smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCC=C(C)C)c(O)c1 579895 XPNTUFZVLSDQBO-UHFFFAOYSA-N 422.477 5.500 0 1 HKAF in-vitro CC(C)=CCC[C@H](C)C1=C2CC[C@@H]3[C@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@]2(C)CC1 13431457 UEAYGVWWOONEPF-ALJQKSAPSA-N 424.713 8.687 0 1 HKAF biogenic O=c1cc(NC2CCN(Cc3ccc4ccccc4c3)CC2)c2cc(Cl)ccc2o1 13673193 OPTNEFBOFIJLSP-UHFFFAOYSA-N 418.924 5.676 0 1 HKAF Cn1c[n+](CCCCCCCCCC[n+]2cn(C)c3ccccc32)c2ccccc21 13740393 DJBOAFBNFCAMPY-UHFFFAOYSA-N 404.602 5.066 0 1 HKAF CC1(C)C=Cc2cc([C@@H]3CC(=O)c4c(O)cc5c(c4O3)C=CC(C)(C)O5)ccc2O1 15205836 SZOBYAPKYZKKGY-FQEVSTJZSA-N 404.462 5.467 0 1 HKAF biogenic COC1CCC(C(=O)Nc2cc(-c3ccnc(Nc4ccc(F)cc4)c3)ccn2)CC1 16052742 ACGBFWCBVIXTPZ-UHFFFAOYSA-N 420.488 5.170 0 1 HKAF in-vitro CCCCN(CCCC)CCCOc1ccc(-c2cn3nc(C)sc3n2)cc1 26295370 YMPIDRBASSDRAA-UHFFFAOYSA-N 400.592 5.437 0 1 HKAF Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@H]2C(C)(C)C(=O)O 28566303 JEFUCHIBJHJCTM-OAQYLSRUSA-N 405.494 5.412 0 1 HKAF C[C@H](CN1CCC(CN2CCCCC2)CC1)c1cccc(C(=O)c2ccccc2)c1 29412507 WILUHSVPBYPZDZ-JOCHJYFZSA-N 404.598 5.219 0 1 HKAF CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(Cl)c(Cl)c3)ccc2n1 36351732 JDELHCLOQLKVHF-WEVVVXLNSA-N 400.309 5.728 0 1 HKAF CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2n1 38149813 IBCKNMVVKQTDGB-WEVVVXLNSA-N 400.309 5.728 0 1 HKAF Cc1ccc(C(P2(=O)OCC(C)(C)CO2)P2(=O)OCC(C)(C)CO2)cc1 40846705 WLRREHXDXQPLQJ-UHFFFAOYSA-N 402.364 5.526 0 1 HKAF Cc1c2c(c3cc(-c4ccc(NCCCN(C)C)nc4)oc3c1C)CCC(C)(C)O2 43061411 JZRQHVKDDFNOAE-UHFFFAOYSA-N 407.558 5.579 0 1 HKAF O=C(Nc1ccc(O[C@H]2CCN(Cc3ccccc3)C2)c(Cl)c1)c1ccsc1 45162487 JYAUOUYGHGWOAE-IBGZPJMESA-N 412.942 5.307 0 1 HKAF CN(C)C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)Nc1ccc(Cl)c(Cl)c1 45202188 SRAWRVSXENWJTF-IBGZPJMESA-N 417.340 5.168 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)c(S[C@@H](C)C(=O)O)cc1O 45298669 YZEHAXFXYPNXOJ-ABNZPVONSA-N 418.599 6.004 0 1 HKAF O[C@](c1ccc(F)cc1)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F 49070570 KMBFENZTPAWDBF-HXUWFJFHSA-N 404.338 5.102 0 1 HKAF in-vivo CCCN1CCc2c([nH]c3ccc(CC)cc23)[C@H]1c1cc(OC)c(OC)c(OC)c1 71280996 PTHFHFHSKRDUKM-XMMPIXPASA-N 408.542 5.114 0 1 HKAF O=C(NC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)Nc1ccccc1 72121328 VCZBQPUFKCYVDZ-QFIPXVFZSA-N 413.521 5.170 0 1 HKAF CCn1c2ccccc2c2cc(C(=O)N3CCC4(C=Cc5ccccc54)CC3)ccc21 73224480 AGJQRZUMUMJGRG-UHFFFAOYSA-N 406.529 6.015 0 1 HKAF C[C@H]1C[C@H](Nc2cncc(Oc3ccc4oc5ccccc5c4c3)n2)CC(C)(C)C1 82068825 XRXULGLSMZBBJD-IRXDYDNUSA-N 401.510 6.795 0 1 HKAF Cc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(F)cc2)o1 82164271 ADDVVGADPFVQPI-SOHDHNSJSA-N 406.505 5.729 0 1 HKAF C/C(=C(/OCCCCOc1cccc(Cl)c1)c1ccc(F)cc1F)n1cncn1 84689070 ACCCBWURKLDIPB-QNGOZBTKSA-N 419.859 5.431 0 1 HKAF CC1=C(/C=C/C2=NN(c3ccccc3)[C@@H](c3cccc(Cl)c3)C2)C(C)(C)CCC1 95590842 FPCVHUKPVPEAOP-LECGRMGRSA-N 404.985 7.730 0 1 HKAF Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4cccc5occc45)C[C@@H]3C)cccc2[nH]1 95607322 DUUXVHJVUBCPDT-ZCNNSNEGSA-N 418.537 5.230 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](CN)CC[C@]4(C)[C@H]3CC[C@@]21C 96914251 YYGAFSDGRDQHGJ-PGAJIAHISA-N 401.723 7.683 0 1 HKAF O=C(OCc1ccccc1)/C(=C(\O)c1c(Cl)cccc1Cl)c1ccccn1 103344750 YSUKMNAPVATVOJ-VXPUYCOJSA-N 400.261 5.558 0 1 HKAF NC1(c2ccc(-c3nc4cc(-c5cccnc5)ccn4c3-c3ccccc3)cc2)CCC1 113657112 ZFZHMEKRPREPAJ-UHFFFAOYSA-N 416.528 6.068 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](O)[C@@H]4C[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 118937082 YYVUMXYSCXRWIL-XEVPOPEQSA-N 416.690 6.584 0 1 HKAF endogenous,in-man CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc3ccccc3c2)ncc1Cl 142146481 XGYMEHXNAMXUMU-IFXJQAMLSA-N 410.905 5.438 0 1 HKAF Cc1nn(C)cc1-c1cc(C(=O)Nc2cccnc2)c2cc(-c3ccccc3)ccc2n1 150119240 VRRAOACMHRVKRW-UHFFFAOYSA-N 419.488 5.258 0 1 HKAF CC[C@H](C)Sc1nc2c(cc(-c3ccc(C)cc3)n2-c2ccccc2)c(=N)s1 169313051 GYOCSIIGMLITCE-INIZCTEOSA-N 405.592 6.432 0 1 HKAF O=C1CSC(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc3ccccc3c2)=N1 169336307 UIQDOXQEBKINNM-FQEVSTJZSA-N 405.910 5.274 0 1 HKAF CC(C)Cc1ccc([C@H](C)C(=O)Oc2ccc(-c3cc(=S)ss3)cc2)cc1 224767889 HZLSKDUFCSAUBV-HNNXBMFYSA-N 414.617 7.114 0 1 HKAF Clc1cnc(NCc2ccccc2)cc1-c1ccnc2[nH]c([C@H]3CCCNC3)cc12 226070179 XBKPRPGASQVDIS-KRWDZBQOSA-N 417.944 5.357 0 1 HKAF CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4C(=CC[C@@]5(C)CCC(C)(C)C[C@@H]45)[C@@]3(C)CC[C@]12C 255259404 PKSBIHVTQFFWSW-HAZMPUGGSA-N 408.714 8.974 0 1 HKAF CCCCCOc1cc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1Br 586903601 QGVMWCVGTURDCO-HNAYVOBHSA-N 415.331 5.463 0 1 HKAF CCOCc1ccc(-c2nc3cc(-c4nnc(-c5ccc(OC)cc5)o4)ccc3[nH]2)o1 586903669 SMPJJWVOUXOHQS-UHFFFAOYSA-N 416.437 5.085 0 1 HKAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(F)cc4[nH]3)c(=O)oc2c1C 586917803 JJOBQKLNTJXAAV-UHFFFAOYSA-N 406.457 5.361 0 1 HKAF Clc1ccc(Br)cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 586980387 QWUDFBUAJLVWAK-UHFFFAOYSA-N 421.907 5.457 0 1 HKAF CCOC(=O)[C@H]1C[C@H](C(C)C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990316 CRMRZMPSXPPDRE-KDOFPFPSSA-N 415.489 5.017 0 1 HKAF COc1cc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2cc1F 586998368 KJBRCNUPKAPIHC-CLFYSBASSA-N 413.246 5.904 0 1 HKAF COc1cc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2cc1C 586999110 VVAMDVXSELZBSB-CSKARUKUSA-N 409.283 6.073 0 1 HKAF COc1cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc(Cl)c1OCC(C)C 587045951 KHGXAPKVPWIKBS-UHFFFAOYSA-N 401.240 5.858 0 1 HKAF O=C(O)c1cc(F)cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c12 587048880 ZSYPMCXGASKSHC-UHFFFAOYSA-N 401.224 6.041 0 1 HKAF C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cncnc2[nH]1 587057962 YMOHJMCLINRWKW-NSHDSACASA-N 401.253 5.592 0 1 HKAF Cc1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1C 587063916 DMBIGBHXIVOCHS-UHFFFAOYSA-N 415.924 6.534 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc5c(c4)Cc4ccccc4-5)nc13)-c1ccccc1C2=O 587099664 RFOVCISKEKYHID-UHFFFAOYSA-N 409.488 6.993 0 1 HKAF CC(C)(C)OC(=O)N=c1cc[nH]cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587102873 AJWCOBCRHKSVTL-UHFFFAOYSA-N 423.472 5.277 0 1 HKAF O=C(CSCc1nc2cc3ccccc3cc2[nH]1)Nc1ccc(C(F)(F)F)cc1 587114034 PIFIEMBFKVAFGI-UHFFFAOYSA-N 415.440 5.607 0 1 HKAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 587199028 WVEMISGVWPLSCD-UHFFFAOYSA-N 411.292 5.396 0 1 HKAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(OCc3ccccc3)cc2[nH]1 587232854 DMBLXSBSTBMWSF-OALUTQOASA-N 407.514 5.303 0 1 HKAF Nc1cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c2ccccc2c1 587251326 CSGUPTFPYRQMNW-UHFFFAOYSA-N 422.204 5.626 0 1 HKAF CCCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587347019 KMCNPYGOXGLJDS-ZCYQVOJMSA-N 406.453 5.594 0 1 HKAF O=Cc1cccc([C@]2(C3CCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587352940 KIEIAPHYJHIXPM-RSXGOPAZSA-N 416.448 5.398 0 1 HKAF CCOc1cc(OC)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353290 YPTVBBOPNNNVOK-ZCYQVOJMSA-N 422.452 5.213 0 1 HKAF O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 587356701 RCIRNAIVTYTOAG-XTEPFMGCSA-N 424.471 6.028 0 1 HKAF CCCOc1cc(Cl)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC 587419944 FWZAQYDEXKAMNN-IVZQSRNASA-N 402.874 5.025 0 1 HKAF COc1ccc([C@@]2(c3cccc(Cl)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587420690 QPYAEJOWMAQYKU-YKSBVNFPSA-N 406.865 5.048 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1cccnc1)(c1ccc(Cl)cc1)CC2=O 587463588 VZMPUUZHFULSQH-DEOSSOPVSA-N 407.897 5.497 0 1 HKAF O=C1C[C@H](c2cccn2-c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 587502732 DTJQNDHRNWIRNW-JOCHJYFZSA-N 412.316 6.369 0 1 HKAF C[C@@]1(c2ccc(OC(F)(F)F)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587506541 NZHVXPWCNICVQF-FQEVSTJZSA-N 410.819 5.998 0 1 HKAF O=C1C[C@](c2ccccc2)(c2nccc3ccccc23)Oc2c1ccc1c2CCCC1 587515466 OCSCXQBVMCEQEX-NDEPHWFRSA-N 405.497 6.023 0 1 HKAF CC(=O)c1ccc(C(=O)[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524083 NDELYSRDGDPFLE-NDEPHWFRSA-N 424.496 5.512 0 1 HKAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(C)c1OCc1ccccc1 587527491 XFGXQERNLRPDTE-AREMUKBSSA-N 412.529 6.468 0 1 HKAF C[C@]1(c2ccc3cccc4c3c2CC4)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603440 ONMDJJDADAZPOH-SHQCIBLASA-N 408.453 5.521 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc(O)c1 587611848 UJXGDIBPUALPNV-OZXSUGGESA-N 410.425 5.003 0 1 HKAF Cc1ccsc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612920 LMQRCSZWBDIUIV-SQJMNOBHSA-N 414.482 5.668 0 1 HKAF O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3ccccc3C(F)(F)F)[nH]c12 587638491 YUKZLAWAOGDRTF-UHFFFAOYSA-N 401.262 5.297 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(C)(C)C)(c2ccc(Cl)cc2)N1 587698751 JDVZOGMYHCGFQF-ZSEKCTLFSA-N 424.785 6.456 0 1 HKAF Brc1cnc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2c1 587784400 RRFFKBGKGVZNAS-DHZHZOJOSA-N 406.283 5.470 0 1 HKAF Cc1onc(-c2ccccc2)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587790592 CUPYVMJDIRBUFE-PRWKNARSSA-N 401.279 5.175 0 1 HKAF CC(C)C/C=C(\c1ccccc1)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587821886 YLINRLILGLKXPU-ITFRMACBSA-N 402.351 6.293 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)CCC(C)(C)O3)N1 587835077 UPUAWEIGKDYFJA-ODXCJYRJSA-N 404.323 5.315 0 1 HKAF O=C(c1ccc(C23CC4CC(CC(C4)C2)C3)o1)n1nc2cc1Oc1ccc(F)cc1-2 587875654 TWIFQJPAZFRQRN-UHFFFAOYSA-N 404.441 5.544 0 1 HKAF CC(C)(C)c1ccc(-c2cc(O)n([C@H](COc3cc(F)cc(F)c3)N=O)c2O)cc1 587946523 VYGSFXAIBNFFCU-LJQANCHMSA-N 416.424 5.486 0 1 HKAF CCCCOc1cc2nc([C@H](CC)O[C@H]3CCC[C@@H](C)C3)[nH]c2cc1Br 587951632 XAHPARUWDAJROF-VCBZYWHSSA-N 423.395 6.551 0 1 HKAF O=C1CCC(c2ccccc2)(c2nc3cc(Br)cc(Cl)c3[nH]2)CC1 587971129 UMRAXVBLWAXJKW-UHFFFAOYSA-N 403.707 5.408 0 1 HKAF CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)COC1CCCC1)c1ccccc1CC2 653710221 SFGWMJRMCOUBJS-UHFFFAOYSA-N 422.525 5.366 0 1 HKAF Cc1nc(-c2ccc(Cl)s2)sc1COc1ccc2c(c1)OC[C@@H]2CC(=O)O 653737645 NTXUVKTXUUKMSZ-NSHDSACASA-N 421.927 5.363 0 1 HKAF C[C@H](c1cccc(Br)c1)[C@@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962706710 OCIGYZKDVHFFMR-SOIKWTOOSA-N 420.391 5.797 0 1 HKAF COc1cc(-c2ccccc2)ccc1[C@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962722136 YZWPIXGTZWKYSZ-RXFWQSSRSA-N 419.565 5.954 0 1 HKAF CC1(C)C[C@]2(c3cc(Br)ccc3O1)c1c(F)cccc1C[C@H]1CCCN12 963102791 RZDIVHQAMXAGDS-ZHRRBRCNSA-N 416.334 5.413 0 1 HKAF CCCN1[C@@H](c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)c2ccccc2C[C@H]1C 963230764 AIVRKCAHCHQFCY-CLOONOSVSA-N 420.597 6.120 0 1 HKAF Cc1cc(-c2nc(-c3ccc(OC4CC4)c(Cl)c3)n3c2CCO[C@H](C)C3)ccn1 1772578514 UPJQLLBDSATFCN-OAHLLOKOSA-N 409.917 5.076 0 1 HKAF CC(=O)OCC(C)=CCCC(C)=CCC[C@@]1(C)C=Cc2c(c3ccccc3oc2=O)O1 2356375987 KQUCHSKUSYALBF-SANMLTNESA-N 422.521 5.973 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3 2356410436 LENYQUOTRXGYQY-IDUICLIYSA-N 424.713 8.543 0 1 HKAF CC[C@H](C)C[C@H](C)C[C@H](CO)C[C@H](C)C=C(C)C=C(C[C@H](C)C(=O)OC)C(=O)OC 2356433110 WZRMQIAMDZWMAG-GVMRPCBKSA-N 424.622 5.328 0 1 HKAF CC(=CC=C[C@H](C)C[C@@H]1OC(=O)C(C)=C1O)CCCc1coc(Cc2ccoc2)c1 2356510876 PTQLMVKRWRINAA-MBSDFSHPSA-N 410.510 6.072 0 1 HKAF CC[C@@H]1[C@H](O)C[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@]3(C)CC[C@H]3C(C)(C)CCC[C@]34C)[C@H]12 2356515315 KEXCKZCLTTUBOQ-PAZGSJOPSA-N 412.702 7.779 0 1 HKAF C[C@@H]1CN=C(C(=O)[C@@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C1 2356534123 HIBLNBRXFIYJIP-WDZAOJLDSA-N 411.630 5.612 0 1 HKAF CCC1=C[C@H](C)[C@@H]2C(C)=C[C@](C=C(C)C=Cc3ccccc3)(CC)[C@](C)(C(=O)O)[C@@H]12 2356547005 VCBYDJOKOOTWFM-CCJDKDEWSA-N 404.594 7.312 0 1 HKAF CCCCCC[C@@H]1C[C@@H]1CCCCCCCCCCCCCCCCCCC(=O)O 2356801562 RPNFNNATVBCDMF-SXOMAYOGSA-N 422.738 9.699 0 1 HKAF COc1ccc(Nc2nccc3[nH]c(-c4cccc(C(F)(F)F)c4)cc23)c(OC)c1 205214353 JLVXREJAXZSJJE-UHFFFAOYSA-N 413.399 6.010 0 3 HKAF CCOc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccoc2)cc1 773691 DPYRRAZEACNUIT-UHFFFAOYSA-N 420.440 5.112 0 1 HKAF O=C1CCc2ccc(O)c(c2)Oc2ccc(cc2)[C@@H](Sc2ccccc2)CCO1 6575521 WKQOKEONSAJJTJ-QHCPKHFHSA-N 406.503 5.897 0 1 HKAF O=C1[C@@H](c2ccccc2)N(c2ccc(Cl)cc2)C(=S)N1c1ccc(Cl)cc1 13680168 AECDUWIGGSTJHF-LJQANCHMSA-N 413.329 5.873 0 1 HKAF CCCCCCC1=C(c2ccccc2)[C@]2(Nc3cccc4ccccc34)CCC[C@@H]2C1 14978581 OJDPHGUYCGQPCV-VIZCGCQYSA-N 409.617 8.619 0 1 HKAF CCC[C@H](NC(=S)Cc1ccc(C(=O)O)cc1)c1ccccc1N1CCCCC1 27560551 XOLUXKWZNRXGFY-NRFANRHFSA-N 410.583 5.376 0 1 HKAF COc1ccccc1CO[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 27644996 QXSIOQKZUFLLLE-VSGBNLITSA-N 413.561 5.507 0 1 HKAF FC(F)(F)c1cc(COCc2ccccc2-c2ccccc2)cc(C(F)(F)F)c1 28571402 PURLCZJVZYRQTQ-UHFFFAOYSA-N 410.357 7.108 0 1 HKAF COC(=O)c1cc(-c2cnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)ccn1 29136157 VYEDYZLNLPVPHZ-UHFFFAOYSA-N 412.445 5.006 0 1 HKAF CCCC[C@H](Sc1ccc(OCCCOc2ccccc2C(C)C)cc1)C(=O)O 43014783 ITNPHPQZKZCHCC-QHCPKHFHSA-N 416.583 6.393 0 1 HKAF CC(=O)N1c2ccc(NC(=O)c3ccccn3)cc2[C@@](C)(c2ccccc2)CC1(C)C 59084450 YDZOMCRPHBKBDJ-AREMUKBSSA-N 413.521 5.175 0 1 HKAF CC(C)c1ccc(C(SC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc2)cc1 66123279 JZJXBBRJALGDAW-QHCPKHFHSA-N 405.563 5.247 0 1 HKAF N=C(N)C1(C(=O)Nc2ccc(CCCCCCCOCC3CCCCC3)cc2)CC1 71317159 GIEQSPDHXIEAPU-UHFFFAOYSA-N 413.606 5.431 0 1 HKAF Cc1ccc(CN[C@@H](c2nc(-c3ccccc3)c(N3CCCCC3)o2)C2CC2)cc1 72186318 XYLAVNSJDCELRJ-HSZRJFAPSA-N 401.554 5.881 0 1 HKAF O=C1[C@H](c2ccccc2Cl)C[C@@H](c2ccccc2Cl)C(=O)N1c1ccccc1 73197420 ABPKIIMRPHCEAG-OALUTQOASA-N 410.300 5.824 0 1 HKAF Cc1cccc(-c2nc(NCC3CCCCC3)ncc2C(=O)N2CCC(C)CC2)c1 82146250 DWAPHVMCNZCUNX-UHFFFAOYSA-N 406.574 5.316 0 1 HKAF Cc1oc(-c2cnc(N3CCCCC3)nc2-c2ccc(F)cc2)nc1-c1ccccc1 82164522 CBWGTLCMOQLULE-UHFFFAOYSA-N 414.484 5.903 0 1 HKAF CCCCCc1nc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccco2)oc1C 82165412 YMDLKYQZKXYPEA-APWZRJJASA-N 408.546 6.423 0 1 HKAF CCCCN(CCCC)C(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1 84741202 WNDVSLSDVZVXBO-UHFFFAOYSA-N 401.594 6.889 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2cccnc2)C[C@H](c2ccccc2Cl)C1 103914620 GUZNUZAYWDTNKS-UPCLLVRISA-N 401.897 6.364 0 1 HKAF c1cc(-c2c(-c3nc(-c4ccc5[nH]ncc5c4)no3)cnn2C2CCCCC2)ccn1 114564102 KOEHUTQKPHQCNC-UHFFFAOYSA-N 411.469 5.044 0 1 HKAF COc1ccc2c(c1[C@H]1CCCC(=O)N1Cc1cccc(-c3ccccc3)c1)OCO2 167777995 SLIKAZDQSXPQMR-OAQYLSRUSA-N 415.489 5.345 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C 255280653 XKYJBQWATZUMSB-OBUHWVRUSA-N 422.697 8.463 0 1 HKAF COc1cccc(C(=O)Nc2ccc(-c3ccc(OC4CCN(C)CC4)cc3)cc2)c1 299825019 UQSGLMLRECAUFT-UHFFFAOYSA-N 416.521 5.088 0 1 HKAF CC[C@H](C)NC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 299887978 ZSCPAAWATBNPFJ-CLOMZQOJSA-N 420.601 5.463 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(C(C)(C)C)cccc2[nH]1 586980827 GBDNKMHIFOUJHY-UHFFFAOYSA-N 408.343 6.389 0 1 HKAF Cc1cc(C(F)(F)F)ncc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586995477 LDTWAHWDUQSFEI-UHFFFAOYSA-N 404.391 6.144 0 1 HKAF FC(F)(F)Sc1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 587005947 BCVNMYGMBLYBNZ-UHFFFAOYSA-N 412.234 5.857 0 1 HKAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc4ccccc4cc3[nH]2)cc1 587039671 HOXPUWDMMMDFCB-NRFANRHFSA-N 403.507 5.003 0 1 HKAF COC(=O)c1cc(Cl)c2nc(-c3cccn3-c3ccc(Cl)cc3C)[nH]c2c1 587066631 PENNGXRZULNZLR-UHFFFAOYSA-N 400.265 5.422 0 1 HKAF COC(=O)c1cccc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 587072017 OQAYTCQBZVSIPB-MWGJXVTBSA-N 415.320 6.022 0 1 HKAF COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1CC(=O)O 587096853 IDEFXLXJXSEQMO-UHFFFAOYSA-N 409.441 5.057 0 1 HKAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(F)c(F)cc2[nH]1 587121575 GDZUPUZJZPJRQF-UHFFFAOYSA-N 411.355 5.839 0 1 HKAF Fc1ccc(F)c(SCc2cccc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c2)c1 587141651 YRRGMIWVPWMJSH-UHFFFAOYSA-N 422.287 6.502 0 1 HKAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc(Br)cc(F)c2[nH]1 587148691 DKBTZNAVJWVMRO-SFHVURJKSA-N 414.253 5.805 0 1 HKAF O=C1CCc2cc3nc([C@@H](Oc4ccc(F)cc4Cl)c4ccccc4)[nH]c3cc2N1 587158198 GZSUEXTWOIRHPE-QFIPXVFZSA-N 421.859 5.409 0 1 HKAF Cc1c(Br)ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 587166447 CUECKFOGPHXABD-MRXNPFEDSA-N 417.282 5.142 0 1 HKAF Clc1cc(Cl)c2[nH]c(/C=C\c3cccc(I)c3)nc2c1 587183653 GABYNKUETUWUAT-PLNGDYQASA-N 415.061 5.645 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCOc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 587326180 AIACGYLPNNGQRS-JTHBVZDNSA-N 410.828 5.222 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3cc(Cl)ccc32)[C@H]1c1ccc(F)cc1 587335382 WLUVRUAPYRPMLN-LADGPHEKSA-N 408.856 5.775 0 1 HKAF C[C@]1(c2nc3ccc(Cl)cc3[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336489 YLTRODZQFFIGSX-REWPJTCUSA-N 422.843 5.335 0 1 HKAF COc1ccc([C@@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587354892 WBTGLZFSVSUMBC-ILBGXUMGSA-N 406.453 5.450 0 1 HKAF COc1cccc(-c2cc(CC(=O)Nc3cccc(C)n3)nc3c2oc2ccccc23)c1 587362725 LCYVYCRMKNXWEH-UHFFFAOYSA-N 423.472 5.541 0 1 HKAF COc1cccc(-c2cc(-c3c(N)sc4c3CCC4)nc3c2oc2ccccc23)c1 587365788 HEPVVSNMKJOIIL-UHFFFAOYSA-N 412.514 6.456 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](CCc1cc(F)ccc1Br)CC2=O 587469129 WPGQSTUYRFUSSR-AWEZNQCLSA-N 407.279 5.213 0 1 HKAF CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 587477733 GGWGZVMAUIRQSP-LSRZYVKLSA-N 402.531 5.218 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](c2ccccc2)Oc2ccccc21 587482260 DLMJRRHJSVCRNH-AHWVRZQESA-N 400.474 5.729 0 1 HKAF CC(C)Oc1cccc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587520844 GHCFVIMCBKLJMP-RUZDIDTESA-N 408.494 5.078 0 1 HKAF CCCc1sc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587533587 XVWLUZVMZDKJOV-QGZVFWFLSA-N 405.357 6.048 0 1 HKAF CC(C)CCOc1cc2nc(CCOCc3ccccc3)[nH]c2cc1Br 587565485 BUSXBVJTTGAIFQ-UHFFFAOYSA-N 417.347 5.510 0 1 HKAF CCCOc1c(OCC)cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593884 FSZJNTWLFMJFNY-OFVILXPXSA-N 420.461 5.283 0 1 HKAF O=C(c1ccccc1-c1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659862 GXOBXJLDLFOWEF-UHFFFAOYSA-N 420.443 5.558 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](Cc2cccc(Br)c2)N1 587675938 BQWMCEWWXFYNQD-BMIGLBTASA-N 413.128 5.169 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(Cl)o2)N1 587680217 OIJAZDLJQSYKSG-DAZKTRTLSA-N 423.507 5.221 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2C(F)(F)F)N1 587709501 ASWIFYTZHPSMGJ-ZKANADHPSA-N 406.192 5.370 0 1 HKAF Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1Cl 587714238 DWAZUYQNZWOQES-MLCYQJTMSA-N 400.694 5.487 0 1 HKAF COc1c(F)cc(F)cc1CC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587714670 AZZYJULDMJSFCG-MGNBDDOMSA-N 414.265 5.083 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC3CCCCC3)nc2)N1 587768451 CXXACVDFCOGXTL-LRTDBIEQSA-N 419.338 5.318 0 1 HKAF CC[C@H](OC)c1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587789261 BXKGFGVPQLBYSG-SKOKVVANSA-N 406.339 5.483 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3cccs3)n2)N1 587852705 NCTKBIZAJFPAMB-NSPYISDASA-N 403.320 5.335 0 1 HKAF CCc1ccc2nc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)sc2c1 587869767 RFVBPQWDKFEYDR-UHFFFAOYSA-N 404.417 5.134 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 587869979 WUGJOULNYLBXLJ-CQSZACIVSA-N 402.853 5.157 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2c3ccccc3n(C)c2s1 587872853 RWIPEQFAWVMFGS-UHFFFAOYSA-N 419.481 5.483 0 1 HKAF Cc1nc(Cc2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)cs1 587923486 SJMNIEGBMKYGGB-UHFFFAOYSA-N 405.523 6.453 0 1 HKAF CCN(c1ccc(-c2csc(-c3c(F)cccc3Cl)n2)cc1)S(C)(=O)=O 587923636 ZHQCXSKPVUFMDN-UHFFFAOYSA-N 410.923 5.056 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(Cl)nc2[nH]1 587949698 YKORSVKHQYXGRR-ZRGWGRIASA-N 411.933 5.896 0 1 HKAF CCCCc1ccc([C@@]2(c3cccc(Cl)c3)NCCc3ccc(F)c(C)c32)cc1 962094485 SWDFADKTGJJWGU-SANMLTNESA-N 407.960 6.568 0 1 HKAF Cn1nc2c3c(cccc31)[C@@]1(NCCc3cc(-c4ccccc4)ccc31)c1ccccc1-2 962667764 VJGPWJOQEKLWEK-LJAQVGFWSA-N 413.524 5.658 0 1 HKAF COc1ccccc1[C@]1(c2ncccc2C)c2ccsc2CCN1Cc1ccco1 962714966 SLGPFJPWSGNOOO-RUZDIDTESA-N 416.546 5.403 0 1 HKAF Fc1cccc2c1[C@@H](c1ccc(-c3ccc(Cl)c(Cl)c3)cc1)N1CCC[C@H]1C2 963112382 SJMLCDUPWBWAIT-YADARESESA-N 412.335 6.909 0 1 HKAF Clc1cc(Cl)c2c(c1)[C@@H](c1ccccc1-c1ccc(Cl)c(Cl)c1)NCC2 963117250 CXAXZOJDUGERJC-OAQYLSRUSA-N 423.170 7.202 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccc(OC)c(Cn2nc(C)cc2C)c1 963224271 DQKJQUOEQOCERH-AFMDSPMNSA-N 403.570 5.303 0 1 HKAF CN1CCc2c(Br)cccc2[C@]1(C)c1c(F)cccc1Br 963290112 TZNYGQWJTRUJDW-QGZVFWFLSA-N 413.128 5.102 0 1 HKAF Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1ccccc1Cl 1857547998 YHJSTWTVQFIRCS-UHFFFAOYSA-N 423.925 6.481 0 1 HKAF NC[C@@H]1CN(c2nc3ccc(Cl)cc3s2)Cc2[nH]c3ccc(Cl)cc3c21 1857596757 LFHGXRVOVHSGTI-SNVBAGLBSA-N 403.338 5.147 0 1 HKAF N=c1[nH]c(-c2cccc(C(F)(F)F)c2)c(C(=O)c2cccc(C(F)(F)F)c2)s1 1857756477 ORGZEMAHWQYWEI-UHFFFAOYSA-N 416.346 5.491 0 1 HKAF O=C1[C@H](c2cccc3ccccc23)Oc2cc3c(cc2N1Cc1ccccc1)OCO3 1857758960 HNIHYZBFBQHXAH-VWLOTQADSA-N 409.441 5.235 0 1 HKAF O[C@H](CNCc1ccc(-c2ccccc2)cc1)COc1cccc(Nc2ccccc2)c1 1911585748 OOXIDWAKDUZBSL-HHHXNRCGSA-N 424.544 5.627 0 1 HKAF CC1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](C)CC[C@]34C)[C@@H]2[C@H]1C 2356525591 UQSMQZZYUKDRFU-BKJMCROQSA-N 424.757 9.300 0 1 HKAF Cc1cc2c(c(=O)o1)C[C@@H]1[C@](C)(CC[C@@H]3[C@]1(C)CC[C@@H]1C(C)(C)[C@@H](O)CC[C@@]13C)O2 2356574384 XVYAFRIRAFSVGL-PKCHZSKFSA-N 414.586 5.272 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@H]2C3=CC(=O)N(CCc4ccccc4)C3=CC[C@]12C 2356608936 KJDSEFLYDWGLDK-GWRHXARXSA-N 417.637 6.802 0 1 HKAF CC(C)CCC[C@@](C)(O)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356611767 JTNSBTTTXGDDMP-PZGASMKESA-N 418.662 5.763 0 1 HKAF O=C(O)C=Cc1ccc(-c2cc3c(c(C4C5CC6CC(C5)CC4C6)c2)OCO3)cc1 2356681071 DUCKGTDOCZXRIF-UHFFFAOYSA-N 402.490 5.720 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CC[C@]1(C)C2=CCCC(C)(C)[C@H]2CC[C@@H]1C 2356699580 BOUHSOCEHRQJNM-DYLHXGEVSA-N 423.649 5.798 0 1 HKAF Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C(F)(F)F)ccc32)cn1 589069 NOTIPWOOWOXBDE-UHFFFAOYSA-N 414.387 5.191 0 1 HKAF O=C(c1ccco1)N1CCC2(CC1)CCN(C(c1ccccc1)c1ccccc1)CC2 3955695 NVMPUPGZFSXRQV-UHFFFAOYSA-N 414.549 5.387 0 1 HKAF CC(C)=CCOc1ccc(-c2coc3cc4c(c(O)c3c2=O)C=CC(C)(C)O4)cc1 5601502 OHVOXMFXCZKNPR-UHFFFAOYSA-N 404.462 5.695 0 1 HKAF biogenic,in-vitro COc1c(CC=C(C)C)cc([C@H]2CC(=O)c3ccc(O)cc3O2)cc1CC=C(C)C 13485400 UOOVGAFDYLDFRW-XMMPIXPASA-N 406.522 6.125 0 1 HKAF biogenic CCCCc1c(-c2ccc(O)cc2)oc(-c2ccc(O)cc2)c1-c1ccc(O)cc1 13558567 MQHVYBHQSVDVHD-UHFFFAOYSA-N 400.474 6.740 0 1 HKAF CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CCCF 13672390 JXBGFOUKACFCGJ-UHFFFAOYSA-N 417.546 5.673 0 1 HKAF N=C(N)c1cccc(Cn2cc(CCc3ccc4ccccc4c3)c3ccccc32)c1 13800220 GFUUBFXNUSKZLY-UHFFFAOYSA-N 403.529 5.912 0 1 HKAF CC[C@H]1C=C2NC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]3[C@@H]21 27213546 YBSFMQHCAIWRPP-TWTSRPJJSA-N 413.690 7.348 0 1 HKAF C[C@H](CO[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O)c1ccccc1 27558470 UBLWJPGPEJEPCL-VOIUYBSRSA-N 404.897 5.276 0 1 HKAF COc1ccc2c(c1)c(C[C@@H](C)C(=O)O)c(C)n2Cc1ccc(Br)cc1 27762962 SCJHJBLKPMFQNG-CYBMUJFWSA-N 416.315 5.032 0 1 HKAF CCC[C@H](C)NCc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 28903870 ONDUHIVLSKFFMU-INIZCTEOSA-N 409.965 5.530 0 1 HKAF C/C=C/[C@@H]1C=Cc2c3c(c4oc(=O)c(Cl)c(CCC)c4c2O1)C(=O)C[C@H](C)O3 29133699 PETZJDWWZFWEAM-SJCWFQRBSA-N 400.858 5.103 0 1 HKAF COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1[C@H]1C=C(C)CC[C@@H]1C(C)C 34255917 OJZQYJGQIQVZMQ-UXHICEINSA-N 408.538 6.018 0 1 HKAF biogenic O=C(O)c1ccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(O)c(C(=O)O)c3c2)cc1 35086927 FSRYTUASXFEGPP-UHFFFAOYSA-N 419.820 5.324 0 1 HKAF O=C(O)c1c(O)c(-c2ccc(Cl)cc2)nc2c(-c3ccc(CO)cc3)cccc12 35086955 NBDNXZAWUAGYHL-UHFFFAOYSA-N 405.837 5.118 0 1 HKAF C[C@H]1CC[C@@]23C[C@]2(C)CCC[C@@H]3[C@@]1(C)CC[C@@]1(C)CCn2cnc3ncnc(c32)N1 40422381 OYPNTPXIXGAEFG-NDQMXJKWSA-N 407.606 5.814 0 1 HKAF CCC[C@@H](Nc1cncc(-c2ccc(NC(=O)NCC)c(CC)c2)n1)c1cccnc1 43123145 WEJXXWDJCVXADG-HXUWFJFHSA-N 418.545 5.196 0 1 HKAF O=C(O)CCCOc1ccc(C(=C2C3CCCC2CCC3)c2ccc(O)cc2)cc1 49067425 DGWXQNBGRPDJIE-UHFFFAOYSA-N 406.522 6.038 0 1 HKAF O=C(CCCCCCCCCCCCCCO)NCCc1c[nH]c2ccccc12 53293595 PZHSASCBYIIZLV-UHFFFAOYSA-N 400.607 5.890 0 1 HKAF biogenic CC(C)=CCC[C@]1(C)C=Cc2c(ccc3c2OC[C@@H]2c4cc5c(cc4O[C@H]32)OCO5)O1 59729445 BRJDSJJWJLKHSZ-WGURPXDASA-N 418.489 5.936 0 1 HKAF biogenic CC(C)N(Cc1ccccc1)C(=O)c1cnc(NC2CCCC2)nc1-c1ccccc1 82133761 PZGCOHWNBGIPOG-UHFFFAOYSA-N 414.553 5.549 0 1 HKAF CCc1cnc(-c2cnc(NCc3ccccc3OC)nc2-c2cccc(C)c2)s1 82173796 YFRMGFAJMVMLKY-UHFFFAOYSA-N 416.550 5.759 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCc1cccc(OC)c1 87723117 UTIZQJLALOGMDO-ZKWNWVNESA-N 423.641 7.457 0 1 HKAF Cc1ccc([C@@H]2C[C@@H]3CC[C@@H]([C@@H]2COC(c2ccccc2)c2ccccc2)N3C)cc1 100995381 PZCLLOMRKKUTII-BPXGVECKSA-N 411.589 6.368 0 1 HKAF COc1cccc(CN(c2cc3ccccc3s2)S(=O)(=O)c2ccccc2)c1 115230217 JNKLGSAJLCKAQU-UHFFFAOYSA-N 409.532 5.305 0 1 HKAF CC[C@@H](Nc1cc(C)cc(CN2CC[C@@H](C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 118388200 CMEDZQAIDUYNGV-DENIHFKCSA-N 400.950 5.427 0 1 HKAF COC(=O)c1ccc(Nc2cccnc2Oc2ccc(Nc3ccccn3)cc2)cc1 139040149 UXFAVEUITXBVLE-UHFFFAOYSA-N 412.449 5.543 0 1 HKAF CCOc1cccc(F)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cccc(OC(F)(F)F)c1 167725770 WCQJZAHESCTNJC-CXAGYDPISA-N 411.395 5.233 0 1 HKAF COc1ccc2c(c1)CCN[C@H]2CCCCCCC[C@@H]1NCCc2cc(OC)ccc21 169327315 FPDUHVHKUZVGFI-SVBPBHIXSA-N 422.613 5.508 0 1 HKAF Cc1ccc(CCC[C@@H](C)c2cc(O)c3c(c2)OC(C)(C)C2=C3C[C@H](C)CC2)cc1 169343233 AODDJPHHPOFQBO-WOJBJXKFSA-N 404.594 7.572 0 1 HKAF c1ccc(CN2[C@H]3CCCC[C@@H]3C3=C([C@@H](c4cccnc4)ON3)[C@H]2c2ccccc2)cc1 254133100 KURMYIOERUOJAA-KBJUPQRZSA-N 423.560 5.728 0 1 HKAF CC(C)C1=C2CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@]2(C)CC1 255260912 QIPITLICOVJMDG-DULCGBRSSA-N 424.713 8.377 0 1 HKAF COc1cc(Nc2nc(C3C4CC5CC(C4)CC3C5)c(C)s2)cc(OC)c1OC 299822039 NOSXLJUWSPBBEB-UHFFFAOYSA-N 414.571 5.761 0 1 HKAF CSc1cccc(N(Cc2ccccc2)c2nc(-c3cccc(Cl)c3)cs2)c1 473083208 AZZKCYILMIHORK-UHFFFAOYSA-N 423.006 7.524 0 1 HKAF Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 586890589 RHAQKGIRFUIVOB-HWPZZCPQSA-N 413.237 5.490 0 1 HKAF Fc1c(Cl)cc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1F 586976813 HPMQOPYBXCYOQX-UHFFFAOYSA-N 408.029 5.489 0 1 HKAF Clc1cc(Br)c2[nH]c(/C=C\c3cccc(Cl)c3Cl)nc2c1 587056029 YIWCDVPAXXISSQ-PLNGDYQASA-N 402.506 6.456 0 1 HKAF CCN1C(=O)C[C@@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)[C@@H]1c1ccccc1Cl 587060610 BEPFSWHFXGJZPQ-ACJLOTCBSA-N 407.823 5.312 0 1 HKAF Oc1nccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 587074444 AIORRICICHKLDA-SQFISAMPSA-N 424.891 6.019 0 1 HKAF COC(=O)c1ccnc([C@H]2CCCc3c2nc2cccc4c2c3-c2ccccc2C4=O)c1 587107949 XCXJRSFUXWLLMP-GOSISDBHSA-N 420.468 5.096 0 1 HKAF COc1cc2nc(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3F)[nH]c2cc1Cl 587145512 YAZBBUMYVODBDB-UHFFFAOYSA-N 410.832 5.705 0 1 HKAF COC(=O)c1cc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2c(F)c1Nc1ccccc1 587174651 QSRAKCWEMDJQIQ-SFHVURJKSA-N 421.403 5.048 0 1 HKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587246491 AXYVLLGFFAVELQ-UHFFFAOYSA-N 413.456 5.302 0 1 HKAF O=C(c1ccc(-c2ccccc2)cc1)c1ccccc1C(=O)c1coc2ccccc12 587280658 QBHUVJFBPDXSSL-UHFFFAOYSA-N 402.449 6.562 0 1 HKAF COc1cccc(-c2cc(-c3cc4cccc(O)c4o3)nc3c2oc2ccccc23)c1 587365041 CVHLVMXUJXOKJZ-UHFFFAOYSA-N 407.425 6.775 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(ccc4c2CCO4)C3)c1 587366415 PBKQHBAEPFENKK-UHFFFAOYSA-N 405.453 6.163 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1ccccc1N)CC2=O 587463624 WGRCSWJPVYMAKF-XMMPIXPASA-N 407.897 5.489 0 1 HKAF C[C@]1(c2ccc(Oc3ccccc3F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500919 DZSSFLJUJVLPGJ-AREMUKBSSA-N 402.465 6.377 0 1 HKAF CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(F)(F)F 587503287 YJDRALZVSRRFLY-FQEVSTJZSA-N 420.427 5.612 0 1 HKAF C[C@@]1(Cc2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549084 PTBSMKBLBGSSLK-KNQAVFIVSA-N 414.379 5.374 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1OC(F)(F)F 587554754 JDCQQXOKAHJKDK-FXAWDEMLSA-N 420.314 5.133 0 1 HKAF CCOc1ccc2nc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2c1 587589925 YVVGUGNXNXELRI-RDGATRHJSA-N 413.429 5.042 0 1 HKAF CCOC(=O)c1ncn(-c2c(-c3cccc(Cl)c3)[nH]c3cc(Cl)c(F)cc23)n1 587628875 SSMBSPBKWMJNES-UHFFFAOYSA-N 419.243 5.038 0 1 HKAF CCOC(=O)c1c(Cc2cc(F)c(Cl)nc2Cl)[nH]c2ccc([C@@H](C)CC)cc12 587641927 KSYCLLFFWIJXAO-NSHDSACASA-N 423.315 6.290 0 1 HKAF Cc1c(Cl)ccc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)[nH]c12 587698880 QMXSYEOVXDAYPS-UGZDLDLSSA-N 407.714 5.655 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC2CC2)(c2ccc(Cl)cc2)N1 587699386 KPBVBKXJRVCUPH-MPBGBICISA-N 408.742 5.820 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(Cl)nccc3c2)N1 587706974 UAMSFFFTODREOL-XTZNXHDOSA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc(C(F)(F)F)c2)N1 587713685 UHFDMOOSFKZNEJ-VPTHRUTESA-N 422.647 5.884 0 1 HKAF CCn1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587760613 ZHPNUHKXQQMQDA-ZSEKCTLFSA-N 401.323 5.361 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(C)cc(Br)c4[nH]3)c2)cc1O 587786071 GSSMZZHVXQRFLO-UHFFFAOYSA-N 409.283 5.682 0 1 HKAF Cc1ccc(-c2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587828945 PCFYCHHLEFELAB-XUSGNXJCSA-N 400.291 5.780 0 1 HKAF COc1cccc(-c2cc(O)cc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2)c1 587933336 MKQINNFRNYVLHD-UHFFFAOYSA-N 418.802 6.283 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c(/C=C\c3cccc4ccccc34)nc2c1 587968268 MGSUFAMNSVQXGY-KHPPLWFESA-N 421.294 5.826 0 1 HKAF COc1ccc(C2=Cc3ccc(F)cc3[C@@H](CC(C)=O)N2c2ccc(O)cc2)cc1 653786058 GERWXYRPLQVLCR-RUZDIDTESA-N 403.453 5.578 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 685935927 LIIFBMGUDSHTOU-UJQNLECXSA-N 424.713 8.377 0 1 HKAF biogenic,in-vitro CCOc1cccc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)c1OC(F)F 961618320 ZRFPVVIMKQOQQN-QGZVFWFLSA-N 424.285 5.217 0 1 HKAF COc1cc2c(cc1OC)[C@](c1cccc(Cl)c1)(c1cc(C)ccn1)N(C)[C@H](C)C2 962570848 OAGKJBMTWAGPFF-CRICUBBOSA-N 422.956 5.229 0 1 HKAF CCCCCOc1cc([C@H]2c3cc(OC)c(OC)cc3C[C@H](C)N2C)ccc1OC 962577484 YYVSQBXHZZLUCU-GKVSMKOHSA-N 413.558 5.247 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2ccccc2Cl)(c2ccccc2OC)N1 962957247 ODVZLANFEPHTKH-QLXKLKPCSA-N 416.952 6.046 0 1 HKAF Cc1ccc(CC[C@]2(C3CCC3)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1C 963218156 CFWVJBQVISPQDE-AHKZPQOWSA-N 414.549 5.079 0 1 HKAF O=C(O)c1ccc(-n2nc(Oc3c(Cl)cccc3Cl)c3c(F)cccc32)cc1 1772574345 ACTPLOYOROGJBM-UHFFFAOYSA-N 417.223 5.962 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC=C2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857601602 TZMNZSROTXXMLX-DYRJXGMBSA-N 400.691 7.635 0 1 HKAF CCOP(=O)(OCC)[C@@H](N(O[C@H](C)c1ccncc1)C(C)(C)C)C(C)(C)C 1857609232 HPBKDHJVTHGBGP-SJLPKXTDSA-N 400.500 5.813 0 1 HKAF O=C(O)c1cccc(-c2nc(-c3ccc(Cl)c(Cl)c3)c(-c3ccccc3)o2)c1 1857611854 PQUPXYCKNHJSHO-UHFFFAOYSA-N 410.256 6.681 0 1 HKAF O=C(Nc1cncc(-c2cc(-c3cccnc3)cs2)c1)c1ccc(F)c(Cl)c1 1857764269 ZAAHMJAOEALQSE-UHFFFAOYSA-N 409.873 5.917 0 1 HKAF CC(C)=CC[C@H](O)C(C)=CCCC(C)=CCC[C@]1(C)CCc2cc(O)cc(C)c2O1 2356463167 RFIIOYJLKCYOCK-AHKZPQOWSA-N 412.614 6.955 0 1 HKAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@]2(C)[C@@H]3CC(C)(C)CC[C@H]3CC[C@]12C 2356464918 GCKDQWCHVGKSQF-TWIRBIOVSA-N 412.702 8.067 0 1 HKAF CC=C(C)[C@H](O)[C@H](C)C=C(C)C=CC[C@H](C)C=Cc1oc(OC)c(C)c(=O)c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c1cccc(C(C)C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 61944543 OWJRUDZQZVGTHY-UHFFFAOYSA-N 416.348 7.753 0 3 HKAF CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCc2ccccc2)cc1 775321 RGVDVQXAVINIPA-UHFFFAOYSA-N 416.452 5.476 0 1 HKAF CC(C)c1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCC2CCCCC2)cc1 2482269 CWCBDANJHLXNOI-UHFFFAOYSA-N 420.528 6.581 0 1 HKAF COc1cc(OC)c2c(C)nc(C)cc2c1-c1ccc(OC)c2c(OC)cc(C)cc12 13359254 VKVQYSCKFLMXDK-UHFFFAOYSA-N 417.505 6.015 0 1 HKAF biogenic,in-vitro O=C1N(c2ccccc2)c2ccccc2[C@]1(Cc1ccncc1)Cc1ccnc(F)c1 13556078 QJFWYPLAZRLAIV-SANMLTNESA-N 409.464 5.017 0 1 HKAF CCCC[C@@H](Cc1ccc(OC)c(OCCc2ccccc2)c1)N(CCC)CCC 13801137 NQVJONQLOGCPHQ-VWLOTQADSA-N 411.630 6.540 0 1 HKAF CCOCCCC[C@@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21 26742265 SZWKFRIVTHUWDX-SANMLTNESA-N 400.522 5.447 0 1 HKAF CCN(CC)C(=O)Oc1ccc(C(CC)(CC)c2ccc(NC(C)=O)c(C)c2)cc1C 28950139 CQXKEOUXJYOZER-UHFFFAOYSA-N 424.585 6.209 0 1 HKAF O=C(Nc1ccn(Cc2cc(Cl)ccc2OCc2ccccc2)n1)c1ccccc1 29043290 ITXHOYFSTIDIOB-UHFFFAOYSA-N 417.896 5.416 0 1 HKAF N[C@@H]1Cc2c(-c3ccccc3Cl)cccc2N(c2c(Cl)cccc2Cl)C1=O 29125760 OZTWHLIVKQRXHC-GOSISDBHSA-N 417.723 5.862 0 1 HKAF COc1ccc(CC(=O)N(C)CCCN2c3ccccc3CCc3ccccc32)cc1 34011401 PBPKHDBDIRXODG-UHFFFAOYSA-N 414.549 5.023 0 1 HKAF CC(C)ONC(=N)c1ccc2[nH]c(-c3cccc(-c4ccccc4O)c3O)cc2c1 40556665 KTPKWCYCXPDOMR-UHFFFAOYSA-N 401.466 5.168 0 1 HKAF C[C@@H](CN(C)C)C(=O)Nc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1 45195647 JUKUQSFRRRGTHK-HNNXBMFYSA-N 404.539 5.095 0 1 HKAF COC(=O)c1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCC(C)(C)C(=O)O1 49016083 NQEDMGFLYIMNHL-QIUOXPPCSA-N 410.554 5.431 0 1 HKAF Sc1nnc(COc2ccc(Cl)cc2)n1Cc1ccccc1-c1ccccc1 64527600 KJEFKINLIGHIRS-UHFFFAOYSA-N 407.926 5.515 0 1 HKAF CCCN(CCN(C)C)c1nc(CC)c(-c2ccc(Cl)cc2Cl)nc1CC 72179484 ZHKYGVSCOALUME-UHFFFAOYSA-N 409.405 5.353 0 1 HKAF COc1c(CN(Cc2ccccc2)C(=O)c2cccs2)ccc2c1OC(C)(C)C=C2 72181373 BPXRASDJNLGPLB-UHFFFAOYSA-N 419.546 5.784 0 1 HKAF C[C@@H]1C[C@H](Nc2cncc(Oc3ccc4oc5ccccc5c4c3)n2)CC(C)(C)C1 82068824 XRXULGLSMZBBJD-SJORKVTESA-N 401.510 6.795 0 1 HKAF Cc1cccc(-c2nc(NC3CCCCC3)ncc2C(=O)N[C@@H]2CCCC[C@H]2C)c1 82145098 RUYYNHBFIUPQFO-XMSQKQJNSA-N 406.574 5.505 0 1 HKAF Cc1nc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccccc2F)sc1C 82175449 PHRWSXCSGJWNLR-UHFFFAOYSA-N 424.932 6.289 0 1 HKAF CCCCCn1c(-c2ccsc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188240 KZIYCJWSVZMZQA-KRWDZBQOSA-N 405.571 5.961 0 1 HKAF CC[C@@H](C)Cn1c(C2CC2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 82189943 BZQIIWHCOYBESB-CYBMUJFWSA-N 418.372 5.711 0 1 HKAF CCCn1c(-c2ccc(O)cc2F)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1F 95571746 IZLPIICHZOQKTM-UHFFFAOYSA-N 421.443 6.294 0 1 HKAF Cc1cc(OCCCc2c(C(=O)O)sc3c(Cl)cccc23)cc(C)c1Cl 95597880 HPLRRUUZIYNNGV-UHFFFAOYSA-N 409.334 6.535 0 1 HKAF O=C(OC[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1cccs1)CN32)c1ccc2ccccc2c1 100909232 HKCXATAGMOKJIB-AVIYDVJRSA-N 415.558 5.624 0 1 HKAF Cc1ccc([C@H]2C[C@@H]3CC[C@@H]([C@H]2c2onc(C)c2-c2ccc(Cl)cc2)N3C)cc1 101165942 YMCSFRMHHAIMBT-KHUIQGCPSA-N 406.957 6.346 0 1 HKAF Oc1ccc2c(c1)CCc1ccc(O)c(c1)Oc1ccc(cc1)CCc1ccc-2c(O)c1 103248710 CTXRIYJNXKLXCR-UHFFFAOYSA-N 424.496 6.147 0 1 HKAF S=C(Nc1nc2c(ccc3ccccc32)s1)Nc1ccccc1Br 103294827 QNYGOUBFMKFLGS-UHFFFAOYSA-N 414.353 6.021 0 1 HKAF CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccn2)C2=C(O)CC(C)(C)CC2=N1 104006817 VVJVHENHIYLHDX-JOCHJYFZSA-N 405.473 5.304 0 1 HKAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc(-c3ccccc3)cc2)n1 142058070 RAJZEQSIULHTBW-DYESRHJHSA-N 402.498 5.298 0 1 HKAF CC(C)CCC[C@H](C)CCC[C@@H](C)CCOC[C@@]1(C)CCc2cc(O)c(F)cc2O1 169294549 JELMBHCKEXSVGQ-LZCXECNNSA-N 422.625 7.291 0 1 HKAF C[C@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O 206454587 VJABJEQGFJMMDO-JCNWZXFDSA-N 416.646 6.742 0 1 HKAF in-vitro C[C@H](Nc1cccc(-c2ccnc3[nH]c(C4CCN(C)CC4)cc23)n1)c1ccccc1 220227144 HYKZYNURSOQFMM-SFHVURJKSA-N 411.553 5.607 0 1 HKAF C/C=C/CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 261142125 NGHDXYJXIZZENU-YONZVVFSSA-N 408.586 5.644 0 1 HKAF S=c1c2ncn3nc(-c4ccccc4)cc3c2c(C2CCC2)nn1Cc1ccccc1 299820606 HFINXNLMZFIHLL-UHFFFAOYSA-N 423.545 5.791 0 1 HKAF CS(=O)(=O)c1ccc(-c2cnn3ccc(-c4cccc(C(F)(F)F)c4)cc23)cc1 473154664 JZCFKXQBZHKIPL-UHFFFAOYSA-N 416.424 5.091 0 1 HKAF Nc1c(Cl)cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1C(F)(F)F 587103786 LIXITBJSWDBACP-UHFFFAOYSA-N 424.809 6.368 0 1 HKAF FC(F)Oc1ccc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)cc1 587131056 WCPHVCJKNKBPDQ-UHFFFAOYSA-N 423.135 5.492 0 1 HKAF Fc1cc(F)c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1Br 587137758 JXWNSIMGVZLFIT-UHFFFAOYSA-N 409.177 5.883 0 1 HKAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c(F)c2)c1 587138601 NWFHACWPTLZYMH-UHFFFAOYSA-N 419.214 6.180 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cnc5ccccc5c4[nH]3)cc2F)c1 587143815 ZTBNRARXWSETBW-UHFFFAOYSA-N 403.844 6.246 0 1 HKAF COC(=O)c1cc2[nH]c(-c3ccc(CN=O)cc3)nc2c(F)c1Nc1ccccc1 587191294 XPEJDEMEJYOVHN-UHFFFAOYSA-N 404.401 5.166 0 1 HKAF Oc1ccc(Nc2cccc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c2)cc1 587242119 HHRRTUNVDDEYCG-UHFFFAOYSA-N 419.790 6.231 0 1 HKAF CCN(C)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587338977 QWLWBBUNRAWAAD-NOZRDPDXSA-N 405.469 5.262 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccccn2)(C2CCCC2)[C@@H]1c1ccc(F)cc1 587342134 ZAOVEDSWHHFLEB-NOZRDPDXSA-N 403.453 5.371 0 1 HKAF C[C@@]1(c2cccc3c2NCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350656 SBMSBMRIUNAIFU-RDGATRHJSA-N 403.453 5.164 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](Cn2cncn2)CCC3)c1 587363852 PKPOLCAGLWNIQU-KRWDZBQOSA-N 410.477 5.368 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](Cn2cncn2)CCCC3)c1 587363984 RIVADZAFYOIWDA-GOSISDBHSA-N 424.504 5.758 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C(=O)c2ccccc2)CC3)c1 587367480 SDKAGFIHRILXLZ-QFIPXVFZSA-N 419.480 6.569 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cc(C)ccc1C 587399153 INVPABYHISBEIM-VWLOTQADSA-N 417.505 5.488 0 1 HKAF COc1cc2c3c(c1)O[C@](C)([C@@H](C)Oc1ccc(-c4ccc(C)cc4)cc1)[C@@H](C2)C3=O 587439121 JMODISPJLMABQZ-OVEGOBCQSA-N 414.501 5.644 0 1 HKAF Cc1ccc(C)c(-n2nc(C)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2Cl)c1 587496209 ADXUNVPIULZHFK-JOCHJYFZSA-N 420.940 6.036 0 1 HKAF O=C1C[C@@H](c2ccc(Br)c(Cl)c2F)Oc2c1ccc1c2CCCC1 587503687 IOCYUMCFSSRVQL-INIZCTEOSA-N 409.682 5.827 0 1 HKAF CC(C)(C)[C@@]1(c2ccc(OC(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587506254 NATBWJGSLLGRSF-QHCPKHFHSA-N 418.455 6.371 0 1 HKAF CCCOc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(OCCC)c1 587526542 YAJCIPGISQAOLZ-SANMLTNESA-N 408.538 6.024 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)C1CCCC1 587543385 BSAYAGUDSZKWRR-DHLKQENFSA-N 420.892 6.093 0 1 HKAF Cc1cccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)c1C 587587835 OMGMKTIZHUTQBZ-SHQCIBLASA-N 423.468 5.774 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1cc2ccccc2o1 587594435 LIRQKUKCIYQMQC-PXDATVDWSA-N 424.412 5.231 0 1 HKAF CC1(C)O[C@H](c2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587617699 QNIYQDPILYQMLG-BKSPAHHJSA-N 402.446 5.033 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1 587694046 GBPRZKWLQBDUMI-GIGQVBGESA-N 420.713 5.255 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)c(F)c(F)c(F)c2F)N1 587717767 GTQHKTJMYQOUJY-DDNLTXGXSA-N 424.182 5.081 0 1 HKAF COc1ccc([C@]2(C(C)(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587724380 HNXRZLBGMVDPKJ-GTJPDFRWSA-N 424.329 5.560 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(F)c3)s2)N1 587728403 DWEOXUDQSLEVEO-PRWKNARSSA-N 420.322 6.079 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cc(N(C)C)ccc3c2)N1 587755834 POUBQZPFDGYRCF-MCMMXHMISA-N 413.334 5.431 0 1 HKAF Cc1cccc(N2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)c1C 587765367 BSFGCPLZNZRMGN-HNNXBMFYSA-N 417.366 5.235 0 1 HKAF Cc1oc(-c2ccccc2)nc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587773426 ILETUEWAAPYLRS-LAJNKCICSA-N 415.306 5.349 0 1 HKAF COc1ccc2[nH]cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1C 587794908 WIJROXPUQRTLEB-CFMSYZGJSA-N 403.295 5.010 0 1 HKAF CCOc1cc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)C 587801822 NWAIINZJEUVXSI-JLCFBVMHSA-N 420.366 6.042 0 1 HKAF CCCCCC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587813183 MWNZKTIEIDJVBW-ZHRRBRCNSA-N 404.367 6.336 0 1 HKAF Cc1ccccc1[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587816406 XSZBUVLORUCSEN-WAIKUNEKSA-N 410.330 5.723 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CC=C(CCCC(C)(C)O)CC2)N1 587820131 AEDGVMINZFWCLC-NVAPDCRFSA-N 424.398 5.831 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1nccs1 587852948 JSMIIYWLDHBPQI-MGNBDDOMSA-N 420.351 5.076 0 1 HKAF Cc1nc(-c2ccncc2)sc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587853713 QZXGHWUCFCHPPO-QGHHPUGFSA-N 418.335 5.039 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(C3CCCCC3)s2)N1 587853866 OHMZYESRRPGXPG-ZMZPIMSZSA-N 409.368 5.716 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3sccc3nc2Cl)N1 587857747 MVMRCJZHYNECFS-PWJLMRLQSA-N 411.727 5.475 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc2cccnc12 587858338 FMQFTYJUTOBLMI-UHFFFAOYSA-N 412.276 5.492 0 1 HKAF CCCOc1cc2nc(Cc3ccccc3-c3ccccc3)[nH]c2cc1Br 587958857 KVPQYHJLXAJMIZ-UHFFFAOYSA-N 421.338 6.372 0 1 HKAF CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl 653788005 IATYBUSZZPRTJB-QGZVFWFLSA-N 402.947 5.332 0 1 HKAF Oc1ccc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)c2ccccc12 962650069 YCHRJJDRLJGOMW-DFHRPNOPSA-N 406.529 5.382 0 1 HKAF Cc1ccc(CC[C@@]2(c3cc(C)ccc3C)NCCc3c2c(C(C)C)nn3C)cc1 962904090 BFBOQKFJJMRVPV-MHZLTWQESA-N 401.598 5.491 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1([C@H](Cc1ccccc1)n1cncn1)C(C)(C)C 963241918 OUNNSUZCSJGTNN-UDZXTKBFSA-N 416.613 5.660 0 1 HKAF Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc(C(C)(C)C)n1[C@H]1CC[C@H](N)CC1 1772597917 WAFZLGURJKRUFP-SAABIXHNSA-N 421.507 5.808 0 1 HKAF Cc1cc(-c2nc(-c3ccc(OC(F)F)c(Cl)c3)n3c2CCOCC3)cc(C)n1 1772637306 MVDLYVJXMXLQJV-UHFFFAOYSA-N 419.859 5.056 0 1 HKAF O=C(c1ccc(Cl)cc1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc(F)c(F)c1 1857605720 KBMTYOXVAGVZLK-HSZRJFAPSA-N 422.862 5.887 0 1 HKAF C[C@](O)(CCCCCCCCC=CC=Cc1ccccc1)C[C@]1(C)OC(=O)C[C@@H]1O 2356344506 BBUUFCRHKRIKHW-RNXOBYDBSA-N 414.586 5.584 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356381118 ATSOHKZZFSOWDR-NRTPPCQISA-N 416.734 7.961 0 1 HKAF CC1=CC[C@H](C(C)=CC=C[C@]2(C)CCC(C)=C[C@@H]2C=C(C)[C@H]2CC=C(C)CC2)CC1 2356507735 GFNIWJNBRRFVIS-VZNYXHRGSA-N 404.682 9.291 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2C[C@]34CC=C5CCCC[C@]5(C)[C@@H]3[C@H]4C[C@]12C)C(C)C 2356616753 GAGAIBVZNQUTDY-FOSJYDDVSA-N 410.730 9.054 0 1 HKAF COc1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@@H](CNC4CCCCC4)C=C3C)[nH]c2c1 2356764996 HIUWVUDZECFMFH-MIZPHKNDSA-N 409.618 5.891 0 1 HKAF CC(=O)O[C@@H]1C[C@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)[C@H]2CCc3ccoc3[C@@]12C 2356795555 MFAXGAMFHFHMSS-PLSBHSMMSA-N 412.614 6.684 0 1 HKAF COc1cc2c3c(c1C)[C@H](C)[C@H](C)O[C@@H]3c1c(OC)c(C)c3c(c1O2)O[C@@H](C)[C@@H]3C 2356861320 UHQQHTWESHWNHO-BURGJDQNSA-N 410.510 5.922 0 1 HKAF Oc1ccc2c(c1)CCc1ccc(cc1)Oc1cc(ccc1O)CCc1ccc(O)c-2c1 2356863889 UTQZPYPEAXCDNU-UHFFFAOYSA-N 424.496 6.147 0 1 HKAF COc1ccccc1-c1cccc([C@@H]2C[C@H]3[C@H](CON3C)CN2Cc2ccccc2)c1 61942308 NBFFRQCJSNWQKV-RNXOBYDBSA-N 414.549 5.171 0 3 HKAF CS(=O)(=O)c1ccc(-c2sc(-c3cccnc3)nc2-c2ccc(F)cc2)cc1 3814560 HLDHGCXLULNDEX-UHFFFAOYSA-N 410.495 5.082 0 1 HKAF O[C@@H]1CN(Cc2ccc(F)cc2)CC[C@@H]1CCOC(c1ccccc1)c1ccccc1 13493981 SEGLRXUOVKIQDG-ATIYNZHBSA-N 419.540 5.205 0 1 HKAF COCCN(CC(C)C)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12 13553429 LCSCMRJGHFLGHA-UHFFFAOYSA-N 421.372 5.359 0 1 HKAF O=C(O)CC/C=C\C[C@H]1CO[C@H](c2ccc(Cl)cc2Cl)O[C@H]1c1cccnc1 36242624 XDZGJTGQHCYFCC-UIQQJWMGSA-N 422.308 5.602 0 1 HKAF CCc1cccc2c(C(=O)O)c(O)c(C3(c4ccc(C(F)(F)F)cc4)CC3)nc12 58564060 FNCZPYSLCQJEPE-UHFFFAOYSA-N 401.384 5.300 0 1 HKAF Cc1ccc([C@@H](c2c[nH]c3ccc(Br)cc23)N(C)c2ccccc2)cc1 71332498 HNNKAUFLDRZOMC-QHCPKHFHSA-N 405.339 6.465 0 1 HKAF CC1=Nc2c(-c3ccccc3)cc(Cl)cc2[C@@H](c2ccccc2)N1CCCN(C)C 72125233 FJNFARLQXKFPSM-AREMUKBSSA-N 417.984 6.414 0 1 HKAF Cc1cccc(-c2nc(NCc3cccc(Cl)c3)ncc2-c2nc(C)c(C)o2)c1 82173108 TXOIIZLMGCVASY-UHFFFAOYSA-N 404.901 5.989 0 1 HKAF CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2F)n1 82175966 MGXXHLKDCFLAJY-OAHLLOKOSA-N 404.514 6.284 0 1 HKAF COc1ccc(CN[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@]3(C)[C@H]2O)cc1 95591777 ZIUGFPRXGAUHOU-XOXNVLTOSA-N 415.662 6.193 0 1 HKAF O=C(Nc1cccc(OCc2ccc(Cl)cc2)c1)C1CCN(c2ccncc2)CC1 96285764 YGDGGVQHWDANCW-UHFFFAOYSA-N 421.928 5.169 0 1 HKAF COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OC1CCCC1 100103896 YUTTWVBLGONANE-UHFFFAOYSA-N 421.280 5.568 0 1 HKAF in-vitro CCN[C@@H](c1ccccc1-c1cn(-c2ccccc2)nc1-c1ccc(C)cc1)C(C)C 103184225 LHGFTPCSJJDEKV-HHHXNRCGSA-N 409.577 6.821 0 1 HKAF Cc1ccc(C(=O)Nc2cc3nc(C4CCCCC4)[nH]c3cc2N2CCCC2)cc1 103255848 WFZGMZDKRBVWRM-UHFFFAOYSA-N 402.542 5.772 0 1 HKAF CCN(CC)c1cc2[nH]c(C3CCCCC3)nc2cc1NC(=O)NCc1ccccc1 103255877 FBKMJHCYTIFEHS-UHFFFAOYSA-N 419.573 5.779 0 1 HKAF COC(=O)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3cc4c(cc32)OCO4)cc1 103656913 LNPOIFBEMQTTQL-OAQYLSRUSA-N 405.450 5.052 0 1 HKAF Cc1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1C(=O)Nc1cc[nH]c(=O)c1 143186570 WSAJJTWYTKFRMU-UHFFFAOYSA-N 422.790 5.400 0 1 HKAF COc1ccc(Br)c(CC2CCN(CCc3ccc(F)cc3)CC2)c1 144849525 MYAVJGFAVJEFIX-UHFFFAOYSA-N 406.339 5.094 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2cscn2)c1 167122126 SNYGOLUGMKPMQV-IBGZPJMESA-N 408.523 5.081 0 1 HKAF CCOC(=O)NCCN[C@H](CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1 199947697 SBTIZQKJKFHNPY-GOSISDBHSA-N 401.378 5.166 0 1 HKAF O=C(O)c1ccnc(-c2ncn(Cc3ccccc3Cl)c2-c2ccc(F)cc2)c1 225942264 VWDTXIZUIKCKPI-UHFFFAOYSA-N 407.832 5.151 0 1 HKAF C/C=C(\C)[C@H](O)[C@@H](C)/C=C(\C)C/C=C/C(C)=C\Cc1nc(OC)c(OC)c(O)c1C 238785740 ZQLBCAUKNYXILZ-NOVWNUGWSA-N 415.574 5.457 0 1 HKAF CC[C@@H](C)C(=O)[C@@H]1C(=O)[C@@H](CC=C(C)C)C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C 238786330 NLRBATXBDYLZDD-LKNBFUSASA-N 414.674 7.888 0 1 HKAF CN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(C(F)(F)F)cc32)CC1(C)C 253685525 FOLDFBZXQLCLJB-FPOVZHCZSA-N 406.467 5.447 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC=C2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@H]1[C@@H](O)C3 257402166 CZXLHIZQQUJTND-FMSYVAIOSA-N 400.647 6.424 0 1 HKAF endogenous,in-man OC1(c2ccc(-n3ccnc3-c3ccc(-c4ccc(Cl)cc4)o3)cc2)CCNCC1 299834897 VUGGMXYOWPIBND-UHFFFAOYSA-N 419.912 5.024 0 1 HKAF COc1cc(Cc2c(-c3ccccc3)[nH]c3c(Cl)cccc23)cc(OC)c1OC 473106303 WEPUVBCDSSDRDC-UHFFFAOYSA-N 407.897 6.105 0 1 HKAF CCC(C)(C)c1ccc(-c2nc3cc(Br)c(OC(C)C)cc3[nH]2)cc1 586881016 JUZNVUPAUYNBOH-UHFFFAOYSA-N 401.348 6.467 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(SC(F)(F)F)cc4)nc13)-c1ccccc1C2=O 586994652 AQZREYBINOIELX-UHFFFAOYSA-N 421.443 7.034 0 1 HKAF CCc1cc(OCc2nc3cc(Br)cc(Cl)c3[nH]2)ccc1Cl 587052924 UFNYOXQHHZZRJW-UHFFFAOYSA-N 400.103 5.774 0 1 HKAF Oc1ccccc1-c1cc(-c2nc3c(Cl)ncnc3[nH]2)c2cccc(Cl)c2n1 587081836 WBQQVMQPGAHKMZ-UHFFFAOYSA-N 408.248 5.248 0 1 HKAF CCCCCCc1ccc(O)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 587100481 AQFWMDDMAYFFJF-UHFFFAOYSA-N 421.540 7.250 0 1 HKAF Fc1cccc([C@@H]2C[C@H]2c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1F 587152552 PSSAIEZHMOUDLE-LSDHHAIUSA-N 403.457 6.389 0 1 HKAF Fc1ccc(-c2cn3c(Cc4nc5cc(Cl)cc(Cl)c5[nH]4)csc3n2)cc1 587166589 WVXMTTXNAPRHJT-UHFFFAOYSA-N 417.296 5.976 0 1 HKAF Clc1ccc(I)cc1-c1nc2ccc3c(c2[nH]1)CCCC3 587182478 GVSZRRZZMLCVOW-UHFFFAOYSA-N 408.670 5.367 0 1 HKAF Cc1cc(Br)cc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c12 587204840 MKWHDIOIBVVLGD-AWEZNQCLSA-N 410.356 5.116 0 1 HKAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(Cl)c(F)cc2[nH]1 587230749 ICSWUGLMISYFCJ-UHFFFAOYSA-N 424.863 5.245 0 1 HKAF CC(C)[C@]1(Cc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331097 OXFUSCSXZGASTJ-ZCYQVOJMSA-N 424.899 6.181 0 1 HKAF CCc1ccc(OC)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587354044 SVUMTZQLYOCOTI-ILBGXUMGSA-N 406.453 5.377 0 1 HKAF COc1cccc(-c2cc([C@H](C)c3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 587357870 NLMHFKMMNXKEBG-MRXNPFEDSA-N 413.904 7.462 0 1 HKAF CCc1ccc([C@]2(c3ccccc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587420415 PAADZUBYBJPEBA-CJFMBICVSA-N 404.893 5.602 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCc3cccc(Cl)c3)c1)CC2=O 587458583 AIUBOPVNBKFYDM-DEOSSOPVSA-N 422.908 6.284 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1ccc(Cl)cc1Cl)CC2=O 587459684 CSVUUJPAYOOILR-GMAFFVFYSA-N 420.336 5.588 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(F)c(F)c(F)c1)CC2=O 587466784 ODAWEVMCOMGUOQ-DEOSSOPVSA-N 412.407 5.671 0 1 HKAF C[C@]1(c2ccc(Br)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587498995 KYUXXJFLBKJYIM-HXUWFJFHSA-N 405.719 5.862 0 1 HKAF O=C1C[C@H](c2ccccc2Oc2cccc(Cl)c2)Oc2c1ccc1c2CCCC1 587503635 VTHTZHWKWODMNB-XMMPIXPASA-N 404.893 6.718 0 1 HKAF CN(C)c1cc(Br)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587506959 ZLNIMPIEMWKFCD-HXUWFJFHSA-N 400.316 5.100 0 1 HKAF O=C1C[C@H](c2cccc(OCc3ccc(F)cc3)c2)Oc2c1ccc1c2CCCC1 587510880 YTHQCGFJDIXVPL-RUZDIDTESA-N 402.465 5.990 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OC2CCCC2)c1 587598905 CEJJXFQBFVVSEG-RDGATRHJSA-N 402.446 5.417 0 1 HKAF C[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599875 IMLFNHPANNCGTN-IGKIAQTJSA-N 424.452 6.062 0 1 HKAF C[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599877 IMLFNHPANNCGTN-SHQCIBLASA-N 424.452 6.062 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1ccccc1 587602099 IWZFDWIBPJFPGU-RPLLCQBOSA-N 408.453 5.492 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc(O)c1 587611850 UJXGDIBPUALPNV-ZEQKJWHPSA-N 410.425 5.003 0 1 HKAF CCOC(=O)CCCCCc1c(-c2cccc(Cl)c2)[nH]c2c(C)cc(Cl)cc12 587624752 UHHBOEVLXAYCBW-UHFFFAOYSA-N 418.364 7.116 0 1 HKAF CCN(Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccccc1)c1ccccc1C 587650798 SZDWXSWWAXGTKY-UHFFFAOYSA-N 418.562 5.573 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)c(Cl)cc2F)N1 587722505 RZKBUKYCGBOJEC-WNWIJWBNSA-N 404.657 5.318 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(F)c2)N1 587724219 GBZFXIIGXNBBKO-ZKANADHPSA-N 417.091 5.113 0 1 HKAF Cc1onc(-c2ccc(F)cc2)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587731568 HDKBODJNVFOFHX-SBKAZYGRSA-N 419.269 5.314 0 1 HKAF Cc1ccc(C)c([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587738999 FLJQATQEMPGLPW-SVVFRNOSSA-N 417.366 5.058 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC2(O)CCCCC2)(C(C)(C)C)N1 587819915 CCOIVYNXJSFMMW-SPLOXXLWSA-N 412.387 5.449 0 1 HKAF Cc1ccccc1[C@@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 587847593 LPNPXBOBZWOQIM-SZNDQCEHSA-N 416.359 5.784 0 1 HKAF CC(C)=CCC/C(C)=C/c1nc2c(I)cnc(Cl)c2[nH]1 587968553 RXZJOYXODOOVIJ-JXMROGBWSA-N 401.679 5.366 0 1 HKAF Cc1cccc(C)c1[C@@H]1CCC[C@@]2(C1)NC1(CC1)Cc1ccc(Br)cc12 961319309 HOFLWMPHPUAGBG-DVECYGJZSA-N 410.399 6.297 0 1 HKAF CCC(C)(C)[C@@]1(c2ccccc2C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962645941 TXZDWCGGTQSTRP-PDDLMNHVSA-N 424.632 6.422 0 1 HKAF Cc1ccc(Sc2ccc([C@@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)o2)cc1 962761211 HAZDKHMPMOWBLU-YLJYHZDGSA-N 417.452 5.474 0 1 HKAF COc1ccccc1[C@]1(c2cccc(C)c2C)NCCc2cnc3c(OC)cccc3c21 963039021 SVQYHMRBYYVSCP-NDEPHWFRSA-N 424.544 5.306 0 1 HKAF CCOc1cc([C@@H]2NCCc3cc4cccc(OC)c4nc32)ccc1OCC=C(C)C 963059789 USBYMXGZKBYAPX-VWLOTQADSA-N 418.537 5.222 0 1 HKAF COc1ccc([C@H]2NCCc3c(Cl)cc(Cl)cc32)cc1OCc1ccccc1 963108115 MQNPPWYPUFJMIP-HSZRJFAPSA-N 414.332 5.816 0 1 HKAF CCOC(=O)c1cccc([C@]2(CC(C)(C)C)c3ccc(F)cc3C[C@H]3CCCN32)c1 963111798 RKBPAVVQTOSJKW-ATIYNZHBSA-N 409.545 5.703 0 1 HKAF CCCCN=c1nc(-c2sc(-c3ccc(-c4ccccc4)cc3)nc2C)cc[n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c1cc(O[C@@H]2O[C@H](C)[C@H](C)[C@H](C)[C@@H]2C)c2c(=O)c(-c3ccc(O)cc3)coc2c1 2356857764 SMKSDRFSKFABKS-DCVPDXOLSA-N 424.493 5.206 0 1 HKAF Cc1ccccc1NC(=O)O[C@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1[C@H]2Cc1ccccc1 263590780 PLHMBVMNVPVFOT-RMNHWBOMSA-N 404.554 5.418 0 3 HKAF O=C(O)c1cccc2c(=O)cc(-c3cccc(/C=C/c4ccc5ccccc5n4)c3)oc12 3828417 ZECLHDRRSBEUDJ-ACCUITESSA-N 419.436 5.877 0 1 HKAF CCOC(=O)CCCCCCCC[C@H](C)c1ccccc1I 3830954 IWRUDYQZPTVTPA-INIZCTEOSA-N 416.343 6.079 0 1 HKAF world CC(=O)c1ccc(OCc2ccccc2)c(C/C=C/c2ccccc2/C=C/C(=O)O)c1 28330799 JPPPPFROUMRPCE-FLPZBXERSA-N 412.485 5.822 0 1 HKAF COc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)ccc(F)c2F)cc1Cl 28367118 LKNUWZRSDUDHEP-UHFFFAOYSA-N 408.853 5.364 0 1 HKAF Clc1ccc(-c2cn(-c3ccccc3)cc2[C@@H](c2ccccc2)n2ccnc2)cc1 28469085 OWCFAXVLGXIOQO-AREMUKBSSA-N 409.920 6.632 0 1 HKAF O=c1ccc2c(-c3ccccc3Cl)cccc2n1-c1c(Cl)cccc1Cl 29125759 QSWGRJRCWNCGEH-UHFFFAOYSA-N 400.692 6.618 0 1 HKAF CCCCCCNC(=O)Nc1ccc2ccn(Cc3ccc(C(=O)O)cc3OC)c2c1 29475196 SSABWDAESYYNEL-UHFFFAOYSA-N 423.513 5.098 0 1 HKAF O=C(O)[C@H](Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)c1ccccc1 40834318 BMSBANOPNWYIHR-LJQANCHMSA-N 422.897 5.340 0 1 HKAF C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCc1ccccc1 40873284 OJYRRPROJHHDIB-GPRMDNKHSA-N 409.614 6.072 0 1 HKAF COc1ccc(-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1CNC(C)C 45191614 GXRBCUFONMSLSJ-UHFFFAOYSA-N 408.929 5.766 0 1 HKAF COc1ccc(CN2CCC(CNCc3cccc(-c4ccccc4)c3)CC2)cc1 45202436 LRULRXBPZBOURH-UHFFFAOYSA-N 400.566 5.364 0 1 HKAF O=C1C[C@H](c2ccc(Cl)cc2Cl)C[C@H]2Sc3ccc(Cl)cc3C(=O)[C@H]12 49567365 PZKSLHZFBRDKRX-GMCXQERESA-N 411.737 6.067 0 1 HKAF C[C@@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(C(=O)c3ccccc3)C[C@H]12 73158218 MSNQMTTUFQUCKG-ZSZQSSIHSA-N 412.455 5.625 0 1 HKAF CN(C)CCCOc1ccc(-c2nnc3ccc(-c4ccccc4Cl)cn23)cc1 82082001 OOVGAMUROPYUJK-UHFFFAOYSA-N 406.917 5.047 0 1 HKAF O=C(O)c1ccc2[nH]c(COc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)nc2c1 95563366 HYJJDZUNMLTIFK-UHFFFAOYSA-N 402.494 5.308 0 1 HKAF O=C(O)COc1ccccc1-c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 95586207 BDGKQNCUMRLDPN-UHFFFAOYSA-N 404.853 5.323 0 1 HKAF CC1=C(CC/C(C)=C/CC/C(C)=C/CCC2=CC(=O)O[C@@H]2O)C(C)(C)C(=O)CC1 96921457 GLWQTMBDXUQDKL-JOIHSBEPSA-N 400.559 5.727 0 1 HKAF Nc1sc(-c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)NCc1ccccc1 103143189 LBHXLBWQYFDOSU-UHFFFAOYSA-N 418.949 6.248 0 1 HKAF O=C(Nc1ccccc1OC(F)(F)F)N[C@H]1CC[C@H](Oc2ccc(F)cc2)CC1 103235717 YQQSESYILPKSAI-FZNQNYSPSA-N 412.383 5.236 0 1 HKAF CCN(CC)c1cc2[nH]c(C3CCCCC3)nc2cc1NC(=O)OCC(F)(F)F 103239816 RDWDPNKPLGRCBU-UHFFFAOYSA-N 412.456 5.568 0 1 HKAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc(Cl)cc2)cs1 118601652 DJTMMTOPGRVECY-HXUWFJFHSA-N 412.942 5.596 0 1 HKAF COc1ccc2c(c1)C[C@@H]1[C@](C)(CC[C@@H]3[C@]45CCC[C@](C)(C(=O)OC4)[C@@H]5CC[C@@]13C)O2 137385291 PTWKRUJSHFVLJF-GVVWVFJASA-N 424.581 5.565 0 1 HKAF CC1(C)CC(NC(=O)c2ccc(Oc3ccccc3C(C)(C)C)cc2)CC(C)(C)N1 145953034 MGJDRYPDCGFHFW-UHFFFAOYSA-N 408.586 5.815 0 1 HKAF Cc1c(OCCCCOc2ccccc2C(=O)O)ccc(C(=O)CC2CCCC2)c1C 169351397 FEUQJCOEWPDNTP-UHFFFAOYSA-N 424.537 6.003 0 1 HKAF Fc1ccc(NCc2ccccc2)cc1-c1ccnc2[nH]c([C@H]3CCCNC3)cc12 226063790 MPHFYYSKXDMJBP-SFHVURJKSA-N 400.501 5.448 0 1 HKAF CCOC1=Cc2c(c3cc[n+]4nc(CC)c(CC)cc4c3n2C(=O)OC(C)(C)C)CC1 299844625 LTJPWPPHLQPHJX-UHFFFAOYSA-N 422.549 5.007 0 1 HKAF Cc1cccc(OCCOc2ccc3c(c2)c(CC(=O)O)cn3Cc2ccccc2)c1 473085780 YQGCCIMKKBXVPL-UHFFFAOYSA-N 415.489 5.083 0 1 HKAF CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc(OC)cc2)[nH]c2ccccc12 473085781 YQJUZZHHIAJESY-UHFFFAOYSA-N 406.526 5.455 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccc2ccccc2c1OCC3 586991688 OYPGPYMMOPKSFK-UHFFFAOYSA-N 415.448 5.907 0 1 HKAF Cc1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1F 587001500 YRWZQYDINSYDMU-UHFFFAOYSA-N 411.278 5.447 0 1 HKAF Cc1nc(COc2cccc(-c3nc4cc(C)c(Br)cc4[nH]3)c2)cs1 587020065 FFMVOGPBXLAXHF-UHFFFAOYSA-N 414.328 5.645 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Cl)nc(Cl)cc4[nH]3)c21 587031998 XHDHFFGEOWZOTP-SNVBAGLBSA-N 403.338 6.224 0 1 HKAF COC(=O)c1ccc(Oc2ccc3[nH]c(-c4cc5c(s4)CC[C@H](C)C5)nc3c2)cc1 587034313 SGCYCSDJBFGHSU-AWEZNQCLSA-N 418.518 5.995 0 1 HKAF C[C@@H](Oc1ccc(F)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587168606 JNCCIBMXFYIQSL-MRVPVSSYSA-N 419.172 5.503 0 1 HKAF CSc1ccc(-c2nc3cccc4c3c(c2CC(C)=O)-c2ccccc2C4=O)cc1 587209160 LKXFPVWHGIAKLC-UHFFFAOYSA-N 409.510 5.967 0 1 HKAF Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2n1C 587341606 KAZQQOPAVRISRB-AOYPEHQESA-N 415.464 5.606 0 1 HKAF CCCCC[C@]1(c2cn(C)nc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343681 URHZIIKKJWDAAI-UKILVPOCSA-N 422.500 5.408 0 1 HKAF CC(C)=CCC/C(C)=C\CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352502 JSOKWGJKWZEZQW-MGQQVJLDSA-N 422.540 7.122 0 1 HKAF O=C1c2ccc(O)cc2O[C@](/C=C2/CCCO2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 587358852 QOEUNYQNWGIGHO-LDYMQWDOSA-N 416.448 5.480 0 1 HKAF Cc1ccc(C(=O)[C@@H](C)Oc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 587401060 PVBIOYXYUNYHMB-MZNJEOGPSA-N 415.489 5.242 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccccc1Oc1ccc(F)cc1Cl)[C@@H](C2)C3=O 587428837 QPQXNVYEEFFKJN-HJPURHCSSA-N 410.828 5.769 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc4c(Br)cccc4s1)[C@@H](C2)C3=O 587453101 PNSKUIGVOKFKCD-BUXKBTBVSA-N 401.281 5.161 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1OCc1cccnc1)CC2=O 587460401 FZUXJJJYKTVZIS-HSZRJFAPSA-N 423.896 5.679 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCc3ccccc3C)c1)CC2=O 587476297 BALAOCIQEZSCIE-VWLOTQADSA-N 402.490 5.939 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C1)CC2=O 587482441 ZVCDYXOSIXPMFP-MHECFPHRSA-N 417.546 5.104 0 1 HKAF CC[C@H](C)Oc1c(Cl)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587498836 PIPJEJDNGIXTGJ-QKKBWIMNSA-N 414.929 6.111 0 1 HKAF O=C(O)c1ccc(COc2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)o1 587529344 ABHUSDYHYIRRQU-HSZRJFAPSA-N 418.445 5.142 0 1 HKAF CCc1ccc(Nc2ncc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1 587535775 OJQNJNFBUDRREO-RUZDIDTESA-N 418.562 6.209 0 1 HKAF Cc1cc(C)c2c(c1)CC(C)(C)C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603586 NVQKPHMKJLKGNF-WNCULLNHSA-N 414.501 5.839 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2)s1 587616050 YTEMTSWJPPFUBC-URXFXBBRSA-N 400.455 5.824 0 1 HKAF CC(C)c1ccc([C@@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3cccc(F)c23)cc1 587632922 NTRJDHDNEUTZLZ-OAQYLSRUSA-N 421.899 6.967 0 1 HKAF CCc1ccc(NCc2c(-c3ccc(Br)cc3)[nH]c3cccc(F)c23)cc1 587632957 SONBJNZWPOGOBX-UHFFFAOYSA-N 423.329 6.911 0 1 HKAF CCc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587709020 HIWSELCFVNWJSY-ADLMAVQZSA-N 416.256 5.491 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(C(F)(F)F)cccc32)N1 587711627 IBUOJZVVUIHPPZ-MLCYQJTMSA-N 414.240 5.331 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1C(F)(F)F 587714671 WNOTYEGTAWLLDR-BTDLBPIBSA-N 402.229 5.539 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)C3CCCC3)cc2)N1 587817636 DCQRBSNQXHWLAN-ASSNKEHSSA-N 416.334 5.585 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccsc2N)N1 587844010 LHNBQXAWIWHVFV-ODXCJYRJSA-N 417.347 5.058 0 1 HKAF COc1cc2c(cc1OC)[C@@H](c1ccc(OCc3csc(C)n3)cc1)N(C)[C@H](C)C2 962637379 WRQMMKMMBWJVNF-OYLFLEFRSA-N 424.566 5.014 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cccn1-c1ccc(Br)cc1 963256183 BMHSVUVUDUWIPU-SBUREZEXSA-N 409.371 5.986 0 1 HKAF CSc1ccccc1CC[C@@]1(c2ccc(C)cc2C)c2nn(C)cc2CCN1C 963956154 VGCCFPUNKYLKLW-RUZDIDTESA-N 405.611 5.123 0 1 HKAF Cn1cc(C[C@@H]2CN3C(=N2)SC(c2ccccc2)=C3c2ccccc2)c2ccccc21 1772585668 IWNAFTRZAZMNHY-JOCHJYFZSA-N 421.569 6.034 0 1 HKAF CCCCCCc1c(C(=O)CC2(CC(=O)O)CCC2)c2cc(Cl)ccc2n1C 1772601121 IMQBXVPDQUXLGM-UHFFFAOYSA-N 403.950 6.172 0 1 HKAF CCCOc1ccc(-c2cc(OC)c(-c3ccc(OCCC)cc3)c(O)c2OC)cc1 1857647936 ZBIPKIROYSZUAZ-UHFFFAOYSA-N 422.521 6.321 0 1 HKAF CCOC(=O)c1c(C)oc2ncnc(Nc3ccc(OCc4cccc(C)c4)cc3)c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c1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 773365 LMYZZEIADLLTEI-SFTDATJTSA-N 422.500 5.304 0 1 HKAF CS(=O)(=O)c1ccc(-c2sc(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 1544148 KFVRJZYYYMWSEH-UHFFFAOYSA-N 409.507 5.687 0 1 HKAF CCCCN(CCCC)CCCOc1ccc(C(=O)c2cnc3c(C)cccn23)cc1 3776130 NTSQQICVMDAHEL-UHFFFAOYSA-N 421.585 5.545 0 1 HKAF CCCCCC[C@H](C)/C=C\C/C=C\C/C=C\C/C=C\CC[C@H](C)C(=O)NCCF 13766098 RAMPXDRFGKYVNF-JKBXFFSASA-N 405.642 7.490 0 1 HKAF CCCCC[C@H](C)C/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](C)C(=O)NCCF 13766108 MHVQQJCJBNFDST-GWZVKXQXSA-N 405.642 7.490 0 1 HKAF N[C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1csc2ccccc12 14957803 STTIHBUEHJFGEV-QFIPXVFZSA-N 411.530 5.460 0 1 HKAF COc1c(Cl)ccc2c1[C@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 27109695 YAABMDXUEYQMOT-IFMALSPDSA-N 404.873 5.247 0 1 HKAF CC[C@@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4F)oc3C)ccc21 28566072 HPTWYTJROHXJTH-QUCCMNQESA-N 423.484 5.551 0 1 HKAF Fc1cccc(Cl)c1-c1nc2c(cc(-c3ccc(Cl)cc3)c3ccccc32)[nH]1 29135845 BBFXIRRPPFPTQD-UHFFFAOYSA-N 407.275 7.496 0 1 HKAF CCC(CC)Nc1c2c(nc3c(-c4ccc(Cl)cc4Cl)c(C)nn13)CCC2 38395244 QGDKVBACZDAUJO-UHFFFAOYSA-N 403.357 6.101 0 1 HKAF Cc1ccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc23)cc1 40394646 KVBKVGKPYGMRME-UHFFFAOYSA-N 403.873 5.979 0 1 HKAF O=C(O)c1ccccc1Nc1ccc(CCCc2cc(Cl)cc(Cl)c2)cc1 40934518 CYIHBWVVNZCHRG-UHFFFAOYSA-N 400.305 6.611 0 1 HKAF CCC1(CC)CN(c2ccccc2)c2ccc(O)cc2S(=O)(=O)[C@@H]1CC(C)C 45186871 CGLGYUVQLOZZOE-JOCHJYFZSA-N 401.572 5.539 0 1 HKAF CC(=O)N[C@@H](C)c1ccc(-c2ccc(Oc3ccc(OC(C)C)cc3)cc2C)cc1 45245074 TZCPNCKHYGHIPU-IBGZPJMESA-N 403.522 6.439 0 1 HKAF CCCN(C)C(=O)Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21 45393736 OIFXORAKSXCQQQ-UHFFFAOYSA-N 422.525 5.516 0 1 HKAF O=C(/C=C/c1ccccc1)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 72108594 HRHPFAVRIJPTSA-FMIVXFBMSA-N 400.869 5.679 0 1 HKAF O=C(O[C@H]1CCCN(C(=O)CCc2ccccc2)C1)c1ccccc1-c1ccccc1 82157089 DVAAHLXTTJERQG-QHCPKHFHSA-N 413.517 5.134 0 1 HKAF O=C(Nc1ccc(F)cc1)N1CCn2cccc2[C@@H]1c1ccc(C(F)(F)F)cc1 84654396 ALVVEJLHEPYYOQ-IBGZPJMESA-N 403.379 5.283 0 1 HKAF O=C(Nc1cccc(Nc2ccc3c(c2)CCc2ccccc2C3=O)c1)c1ccsc1 95580352 PFLXGHCJFTUKDS-UHFFFAOYSA-N 424.525 6.074 0 1 HKAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1ccc2oc3ccccc3c2c1 98176746 PEAXRVOYMYUBCP-UZLBHIALSA-N 415.489 5.713 0 1 HKAF Cc1nc2cc(Cl)c(-c3ccc(C(=O)Nc4ccccc4Cl)s3)cc2o1 142583155 GOPUDJORJSHVES-UHFFFAOYSA-N 403.290 6.424 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccc(OC)cc2)cc1)C3 169314159 AMHYXJZDPUGVJV-YJVYVZKASA-N 417.549 5.039 0 1 HKAF Cc1nc(N[C@H](C)c2cncc(-c3cnn(C)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 205831779 MMNLFFKDJFUOEE-MRXNPFEDSA-N 424.508 5.475 0 1 HKAF COc1cccc(F)c1[C@@H]1C[C@@H](Cl)C(=O)N1Cc1ccc2oc3ccccc3c2c1 223033547 BREHUYDHWPJHJZ-MJGOQNOKSA-N 423.871 5.815 0 1 HKAF CO[C@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)/C=C/CC(C)C)[C@@H]21 238736543 VKROWFPXQDYCPA-UIURXIPWSA-N 414.674 6.790 0 1 HKAF FC(F)(F)c1cc(Oc2ccc(COc3ccn4ccnc4n3)cc2)ccc1Cl 473170789 RMUZTTDWWAEYRM-UHFFFAOYSA-N 419.790 5.773 0 1 HKAF CCCCC1CCC(c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)CC1 586886744 CYJZYCDIHHOJNC-UHFFFAOYSA-N 423.532 6.696 0 1 HKAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc(F)cc(Br)c2[nH]1 587010877 FHLNXBIMVVDWMV-UHFFFAOYSA-N 402.292 5.487 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587015009 VUDFORUJYZALOL-UHFFFAOYSA-N 411.811 6.473 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5c(C)nccc5[nH]4)c23)cc1 587037528 FVJOPQBRCSUMEV-UHFFFAOYSA-N 403.536 5.539 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(-c4ccc(Cl)cc4)cc3)nc3cccc1c23 587103385 GTBYJPFUNHFCPE-UHFFFAOYSA-N 417.895 7.434 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)ccc2F)cc1 587139499 MEGUWAKFNNWKJO-UHFFFAOYSA-N 410.351 5.560 0 1 HKAF CCCCOc1cc2nc([C@H](CC)Oc3ccccc3F)[nH]c2cc1Br 587154522 CWSARKGPLXCALW-KRWDZBQOSA-N 421.310 6.174 0 1 HKAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(C)cc3[nH]2)c1C 587165842 LXFNAFXRMLUKJW-UHFFFAOYSA-N 405.473 5.207 0 1 HKAF C[C@H](Oc1ccc(F)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587168043 DGMIKJRZVKTPCK-QMMMGPOBSA-N 419.172 5.503 0 1 HKAF CC(C)[C@@H](c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)N(C)C(=O)OCc1ccccc1 587198254 VTCZIYPAEYUTKV-SFHVURJKSA-N 423.410 5.687 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc2c(cc1OCC3)CCCC2 587209689 RXMPRLVWNTYYIW-UHFFFAOYSA-N 403.481 5.927 0 1 HKAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)C1CCCC1 587223409 AJXQNPNZGWMNGG-NRFANRHFSA-N 419.525 5.550 0 1 HKAF Cc1ccc(C2(C(=O)c3c(CO)oc4cc(Br)cnc34)CCCC2)cc1 587273139 IJRORAJVPFUQOQ-UHFFFAOYSA-N 414.299 5.086 0 1 HKAF CC(C)[C@@H]1CCc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587353128 NYJVSFNWTDQWKX-GEWUYGHSSA-N 416.492 6.004 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](CC2CCC2)(c2ccccc2)[C@H]1c1ccc(F)cc1 587356774 RRRSMQVYVUJLBB-AHWVRZQESA-N 402.465 5.976 0 1 HKAF CSc1ccc([C@@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587379551 YSDYWCRAPAAYME-UKILVPOCSA-N 422.521 6.164 0 1 HKAF CC1(C)Cc2nc(Cl)cc(Cl)c2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587496978 DDJUXJLBWKDVPM-HSZRJFAPSA-N 416.348 6.100 0 1 HKAF Cn1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc2ccc(Br)cc21 587499114 RGGMKGQNNSAPMW-NRFANRHFSA-N 410.311 5.526 0 1 HKAF O=C1C[C@](c2ccc(F)cc2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587510856 XQEANGBHGOJKQJ-RUZDIDTESA-N 406.884 6.267 0 1 HKAF COC(=O)c1cccc(-c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587523525 JSKQCMDYACRNSY-RUZDIDTESA-N 412.485 5.726 0 1 HKAF CC(C)COc1ccc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544005 CXNCJXPNXOSUAP-XUZZJYLKSA-N 424.880 5.783 0 1 HKAF O=C1CCC(C2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)CC1 587605379 ZFPKEIPSWKFSGR-ADUWNVSDSA-N 406.478 5.042 0 1 HKAF CC(C)(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cc1ccc(Cl)cc1 587621928 PNHKIQHWMRRLMF-UHFFFAOYSA-N 416.750 6.348 0 1 HKAF Cc1nc2ccc(C(=O)O)cc2c(Cl)c1Cc1c(C)[nH]c2ccc(F)c(Cl)c12 587629201 YHUJDTVWWQJFPQ-UHFFFAOYSA-N 417.267 6.068 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c([C@@H](C)CC(=O)O)c2c1 587639208 PIQVJZPHOMRBAW-KBPBESRZSA-N 414.343 6.689 0 1 HKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cccc(OC(F)(F)F)c1 587658319 LCJJMGPUSYMHRL-UHFFFAOYSA-N 400.331 5.090 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(C(F)(F)F)cc32)N1 587714955 QICUCSXVPFBRGL-MGNBDDOMSA-N 414.240 5.331 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 587780225 PFXVWQWKDLPFMP-UHFFFAOYSA-N 418.806 5.709 0 1 HKAF COc1ccccc1[C@]1(C2CCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587804105 AUGGTAPJUBWDDM-PEBXRYMYSA-N 418.350 5.565 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2csc(Br)c2)N1 587845643 FECDAMIQPASQPJ-GLEZIHRCSA-N 419.157 5.210 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(CN3CCCC3)cs2)N1 587847303 KGEOCVWXXQTJED-ZUOKHONESA-N 423.395 5.043 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccccc1OC(F)(F)F 587860921 JVWGVIHLBMORSQ-UHFFFAOYSA-N 402.294 5.465 0 1 HKAF COc1ccc2c(c1OC)[C@](c1ccccc1)(c1cccc3cc[nH]c13)N(C)[C@H](C)C2 962616726 AMZKTPLPBCYKJI-CLYVBNDRSA-N 412.533 5.353 0 1 HKAF C[C@]1(c2cccc(-c3cccc(C(=O)O)c3)c2)NCCc2cccc(-c3ccccc3)c21 962661138 DPCFSSWAXBYOEW-GDLZYMKVSA-N 419.524 6.128 0 1 HKAF Cc1nc2ccc(Br)cn2c1[C@H]1NCCc2cccc(-c3ccccc3)c21 962669936 PXPWGQAUJIGCQH-QFIPXVFZSA-N 418.338 5.307 0 1 HKAF CC(C)C[C@@]1(c2ccnc(Cl)c2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962706788 OOAQLEVIGPMTKT-VGOFRKELSA-N 404.982 5.527 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3F)c3ccsc3CCN2Cc2ccco2)nc1 962708010 MGYVPEAMACGRMA-XMMPIXPASA-N 404.510 5.534 0 1 HKAF CCCCc1ccc([C@@]2(CCC(=O)O)N[C@H](CC)Cc3c2[nH]c2ccccc32)cc1 962950524 RQPHIOGUCANHON-FQRUVTKNSA-N 404.554 5.543 0 1 HKAF O=C(O)[C@@H]1CCCC[C@@H]1C[C@]1(c2ccccc2)c2ccc(F)cc2C[C@@H]2CCCN21 963114531 VNJBONRQKVVRDX-KDDRXCPHSA-N 407.529 5.371 0 1 HKAF O=C(OCc1cccc2ccccc12)c1cc2c(OC3CCNCC3)cccc2s1 1857538032 SIZMGOKICWMDTK-UHFFFAOYSA-N 417.530 5.542 0 1 HKAF O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2[C@H]1c1ccc(O)nc1 1857599801 MWCKXDDCNSVXSP-GOSISDBHSA-N 420.321 5.335 0 1 HKAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1 1857742978 ORPDGDBKUOHGBE-CDZSUCCGSA-N 401.723 7.696 0 1 HKAF COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@@H](CNCc4ccccc4)C=C3C)[nH]c2c1 2356310770 JZRJKMCHULJAKM-ZDXQCDESSA-N 417.597 5.758 0 1 HKAF CC(C)=CCc1c(O)ccc2c3c(oc12)-c1cc2c(cc1OC3)OC(C)(C)[C@H](O)C2 2356726085 WJBYNKMIPPAJRU-JOCHJYFZSA-N 406.478 5.281 0 1 HKAF CCc1nc2c(OCc3ccc(C(F)(F)F)cc3)cccn2c1N(C)C(=O)C(C)C 61907359 OSBMEFWORFBXES-UHFFFAOYSA-N 419.447 5.113 0 3 HKAF CCOc1ccc(-c2nc(CSCC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)c(C)o2)cc1 4715146 BOLRBHQKNRDNDU-GUXCAODWSA-N 416.587 5.223 0 1 HKAF Cc1nn2c(-c3ccccc3)cccc2c1CN1CCN(c2ccc(Cl)cc2)CC1 13438659 JQBYEGVGELAAOI-UHFFFAOYSA-N 416.956 5.285 0 1 HKAF O=C(CCC1CCN(Cc2cccc(Cl)c2)CC1)c1ccc2c(c1)NCCCC2 13737866 MXJGEZDRKZVRGW-UHFFFAOYSA-N 410.989 5.963 0 1 HKAF c1ccc(CN2CCC(CCNc3nnc(-c4ccccc4)c4ccccc34)CC2)cc1 13863624 QQCCOTBRJNQDJR-UHFFFAOYSA-N 422.576 6.011 0 1 HKAF CCOP(=O)(OCC)C(CCCOc1ccccc1)P(=O)(OCC)OCC 29224116 LMIIFWMHKPHRMX-UHFFFAOYSA-N 422.395 5.704 0 1 HKAF CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC(CO)CO 32840856 PFISEVUKDJTNGO-HZJYTTRNSA-N 410.639 6.257 0 1 HKAF endogenous,in-man O=C(Nc1ccc(Oc2ccnc3ccsc23)cc1)N[C@H]1C[C@@H]1c1ccccc1 35932588 LQBCMMHTJOFOGM-QUCCMNQESA-N 401.491 5.766 0 1 HKAF Fc1ccccc1Cn1nc2c(C(F)(F)F)cccc2c1-c1ccc(Cl)cc1 40422553 LMEZNWUTYWBWHN-UHFFFAOYSA-N 404.794 6.563 0 1 HKAF Cc1ccc([C@@H]2Oc3ccccc3N(CCCCCN3[C@@H](C)CCC[C@@H]3C)C2=O)cc1 40488919 WKDRRRCCFURGGM-MCEYFSPLSA-N 420.597 5.895 0 1 HKAF Fc1ccc(-c2noc([C@H]3CC[C@@H](Nc4cnc5ccccc5c4)C3)n2)c(Cl)c1 40917249 KCHAXEUWKHRAMR-GOEBONIOSA-N 408.864 5.826 0 1 HKAF Cc1ccccc1NC(=O)Nc1ccc(-c2c(C)sc3ncnc(N)c23)c(Cl)c1 49033476 XKYQNVRYACCZEP-UHFFFAOYSA-N 423.929 5.855 0 1 HKAF Fc1ccccc1COc1c2cnc3c(c2nn1-c1ccc(Cl)cc1)CCCC3 66099158 KYXHUHDBKQSTAN-UHFFFAOYSA-N 407.876 5.671 0 1 HKAF CCCCCc1cc(=O)oc2c(CC=C(C)C)c(O)c(C(=O)[C@H](C)CC)c(O)c12 66124251 BZYSFJMTCUKKOB-OAHLLOKOSA-N 400.515 5.674 0 1 HKAF biogenic CC[C@H](C)Cn1c(-c2cccs2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181288 RPTUFFPVCRTVFP-AWEZNQCLSA-N 411.962 5.866 0 1 HKAF Cc1nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)[nH]n2c(=O)c1Cc1ccccc1 100455532 NAEVADOJZKGAGC-UHFFFAOYSA-N 417.818 5.261 0 1 HKAF CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccccc2)C2=C(O)CC(C)(C)CC2=N1 103540221 UQKBVQLNMJEDSU-QFIPXVFZSA-N 401.510 5.473 0 1 HKAF CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccccc1OC 104697016 ZGELWFCUQFTGNS-XMMPIXPASA-N 404.510 5.898 0 1 HKAF O=C(O)c1cc(-c2ccsc2)c2ccc(OCc3c(F)cccc3Cl)cc2c1 141432831 RASMVXFATOHKFZ-UHFFFAOYSA-N 412.869 6.638 0 1 HKAF CCc1c(C)nc(Nc2ccc3nc(C)sc3c2)n(Cc2ccc(Cl)cc2)c1=O 204092931 ZIKSGGNJJUSOSE-UHFFFAOYSA-N 424.957 5.478 0 1 HKAF CC[C@@H](NC(=O)c1ccc2c(ccn2CCc2cccc(Cl)c2)c1)c1ccccc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c1cccc(Nc2c(C(N)=O)cnc3c(C)cc(-c4ccc5[nH]ccc5c4)cc23)c1 261153455 PJYZUQWMWGPTIU-UHFFFAOYSA-N 422.488 5.543 0 1 HKAF O=c1cc(CO)oc([C@H](c2ccccc2)c2c(-c3ccccc3)[nH]c3ccccc23)c1O 299834708 VEYOFQVJLVEXJH-HSZRJFAPSA-N 423.468 5.166 0 1 HKAF C[C@@H]1CCC2=C(C1)c1c(O)cc([C@H](C)[C@H](C)CCc3ccncc3)cc1OC2(C)C 299849571 LSCUPDKAFUIRHJ-GUDVDZBRSA-N 405.582 6.904 0 1 HKAF Brc1ccc(NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 299857612 FQMHZYUWCLAMFC-UHFFFAOYSA-N 404.311 5.914 0 1 HKAF CCCC(Br)(CCC)c1nc2ccc(I)cc2[nH]1 586971865 ZOPYVIYWLJJVAR-UHFFFAOYSA-N 421.120 5.358 0 1 HKAF Cc1ccc2c3c(c(CC(C)C)c(-c4ccc(Cl)cc4)nc13)-c1ccccc1C2=O 586993462 NTRROWLCDKRKFR-UHFFFAOYSA-N 411.932 7.274 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@@H]4c1ccc(Cl)cc1)-c1ccccc1C2=O 586994000 TZKUTJQPYONTGM-OAQYLSRUSA-N 423.899 6.055 0 1 HKAF Brc1ccc(COc2ccccc2-c2nc3cc4c(cc3[nH]2)OCO4)cc1 586998529 LYOXICQOHFDSQK-UHFFFAOYSA-N 423.266 5.300 0 1 HKAF Clc1ccc(-c2nc(-c3ccccc3)c(Cc3nc4cncnc4[nH]3)s2)cc1 587013694 WYPNYHORIDYZAM-UHFFFAOYSA-N 403.898 5.388 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Cl)cc(F)c3[nH]1)N2 587031285 MRNCLZAKORXKOJ-FVNYMESBSA-N 422.938 5.482 0 1 HKAF c1ccc2c(c1)Sc1ccccc1N2CCc1nc2cc3c(cc2[nH]1)OCCO3 587039908 GRTDNNKYAUJYJL-UHFFFAOYSA-N 401.491 5.180 0 1 HKAF FC(F)(F)CSc1cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)ccn1 587093348 LULGXCLHGHZDJJ-UHFFFAOYSA-N 415.440 5.858 0 1 HKAF Cn1cc(-c2nc3cc(Br)c(Br)cc3[nH]2)c(C(F)(F)F)c1 587111215 BDFVDFURIMJVKO-UHFFFAOYSA-N 423.030 5.112 0 1 HKAF Nc1ccc(-c2ccc3nc(-c4cc5cnccc5nc4C(F)(F)F)[nH]c3c2)cc1N 587115862 CLGWZRXUSXZADN-UHFFFAOYSA-N 420.398 5.023 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccc(Cl)c(C(F)(F)F)c1)O2 587381750 LBNZABQWUKBZAX-LJQANCHMSA-N 420.818 5.747 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(Oc3ccc(OC)cc3)s1)CC2=O 587495528 OWHLJYPERKEUNL-LJQANCHMSA-N 411.479 5.309 0 1 HKAF Cc1cc(C)c([C@@]2(CCCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587529523 OVFOFTCMSHGZKU-AREMUKBSSA-N 406.522 5.606 0 1 HKAF CN(C)c1nc(-c2ccccc2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587536763 ZTOCLDZTDSOMSR-FQEVSTJZSA-N 404.535 5.461 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(Cl)cc1Cl 587557172 MFZMSQKXPNAPML-XLIONFOSSA-N 405.208 5.541 0 1 HKAF Cc1c(-c2cccc(Br)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625424 HWTZWTNGSUKZSC-UHFFFAOYSA-N 422.166 6.943 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)c(C(=O)C(F)(F)F)c2c1 587642881 WTYDDVCWJYFHLS-AWEZNQCLSA-N 401.472 7.391 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C1CCCCC1 587751675 NMDPBYPSBPOQNJ-XMHCIUCPSA-N 419.382 6.135 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C[C@H](C)c2cn(C)c3ccccc23)N1 587759803 VPMFRHSESMEABN-NJSLBKSFSA-N 415.350 5.849 0 1 HKAF CCC[C@@H](CC1(c2nc3ccc(C)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782696 WUQMONNZFNIVHN-NRFANRHFSA-N 404.554 6.233 0 1 HKAF CC(C)=CCC/C(C)=C\CC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812859 LOXSYHVYUUDJDK-HBEAFANVSA-N 408.399 6.811 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccsc2Br)N1 587841812 CQRWPUPULOGLRD-UHLUBPPHSA-N 405.130 5.036 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(N(C)C)cc1 587857868 BEQDDOOKINZXKS-UHFFFAOYSA-N 404.297 5.010 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2c(C)ccc(Cl)c2s1 587869255 FMXVWIJIMKVZCZ-UHFFFAOYSA-N 424.835 5.533 0 1 HKAF COc1ccc(Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1OC 587925538 DVEHCBGAQAILCH-UHFFFAOYSA-N 401.491 5.448 0 1 HKAF COc1ccc(CCCc2nc3ccc(Sc4ccccc4)cc3[nH]2)c(OC)c1 587928550 JRBQAKZRDXYHGA-UHFFFAOYSA-N 404.535 5.907 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(F)cnc2[nH]1 587959286 KVNYMXUBYYLZBY-WWMAXSSBSA-N 421.604 7.951 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(C)c1ccccc1Cl 961772248 CEGISHACBMJVDE-XMMPIXPASA-N 412.961 5.755 0 1 HKAF COc1ccc2c(c1)[C@](c1ccccc1)([C@@](C)(O)c1ccccc1)N(C(C)C)CC2 962089286 HRZMELONAUPTDC-RRPNLBNLSA-N 401.550 5.113 0 1 HKAF Cc1c(F)ccc2c1[C@]1(C=C(c3ccccc3O)Oc3ccc4ccccc4c31)NCC2 962298384 LIHQTIOLZKIFBZ-NDEPHWFRSA-N 423.487 5.816 0 1 HKAF CCCCc1nnc(-c2ccc([C@H]3c4cc(OC)c(OC)cc4C[C@H](C)N3C)cc2)o1 962566685 IPKBHXKCQLAPCZ-FYSMJZIKSA-N 421.541 5.062 0 1 HKAF Brc1cccc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962628334 AHTMZBYPAPFDMQ-UPVQGACJSA-N 419.366 5.285 0 1 HKAF COc1ccc2c(c1)[C@H](c1ccc(C(F)(F)F)c(Br)c1)N[C@H]1CC[C@@H]21 962997090 QJCKXPYWHGCNMV-KKXDTOCCSA-N 412.249 5.415 0 1 HKAF Cc1cccc(CC[C@@]2(c3ccc(C)c(C)c3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963037807 WBQWIKVHJNTRNT-IADCTJSHSA-N 424.588 5.542 0 1 HKAF CCOc1cc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)ccc1OCC(F)(F)F 963119700 HJZPQOBDSYBMSG-SFHVURJKSA-N 420.258 5.568 0 1 HKAF Clc1cc(Cl)c2c(c1)[C@@]1(CCCOc3c1ccc(Cl)c3Cl)NCC2 963125371 UNHSPXGPWPZTTE-SFHVURJKSA-N 403.136 5.862 0 1 HKAF COc1ccc(-n2c(C)c(C)c([C@@H]3N[C@@H](C)Cc4c(OC)ccc(OC)c43)c2C)cc1 963610409 PJSMZYZWWJFLRX-HAWMADMCSA-N 420.553 5.052 0 1 HKAF Clc1cccc(N2N=C(c3ccccc3)C[C@@H]2c2cccc(Cl)c2Cl)c1 1772597280 ABTDFCQTKRVCDM-HXUWFJFHSA-N 401.724 7.003 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 2356410437 LENYQUOTRXGYQY-NHUIANNISA-N 424.713 8.543 0 1 HKAF CC[C@H](CO)Oc1cc(NCc2cccc(C(F)(F)F)c2)c2ncn(C(C)C)c2c1 61948951 ZHRJGWKCGPQDPJ-QGZVFWFLSA-N 421.463 5.398 0 3 HKAF COc1cc(Nc2cc3c(cn2)cc(-c2cccc(F)c2)n3C)cc(OC)c1OC 205216126 IFSFAZZENMUVOQ-UHFFFAOYSA-N 407.445 5.149 0 3 HKAF CCn1c(Nc2c(Cl)cccc2Cl)nc2ccc3c(C)c(C)[nH]c(=O)c3c21 13494037 APZQGZANMZQMAF-UHFFFAOYSA-N 401.297 5.565 0 1 HKAF CS(=O)(=O)Nc1ccc2c(/C=C/c3ccc4cc(Cl)ccc4n3)cccc2c1 13560089 XAFLJEHXFSAZAZ-VMPITWQZSA-N 408.910 5.583 0 1 HKAF COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1OC 13610079 DRBIGHXBYOJZLO-UHFFFAOYSA-N 415.449 5.688 0 1 HKAF CCCCN1CCC(=C(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1 13814374 IBGYSLZJAPQZEL-UHFFFAOYSA-N 404.598 5.866 0 1 HKAF CCc1nc(-c2ncn3c2CN=C(c2ccccc2Cl)c2cc(Cl)ccc2-3)no1 26380974 NDNXMEWTSXQBHN-UHFFFAOYSA-N 424.291 5.143 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@@H](C)C[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 28758926 XUTZDXHKQDPUMA-CUTCWKJRSA-N 415.706 7.174 0 1 HKAF C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@H](O)C[C@H]1O 33820664 OFHCOWSQAMBJIW-GFFKJMHMSA-N 400.647 6.590 0 1 HKAF COc1ccccc1C(=O)[C@@H]1c2ccccc2-c2ccccc2N1C(=O)c1ccco1 40429298 SKIHTUPOBCPDCP-DEOSSOPVSA-N 409.441 5.540 0 1 HKAF C[C@@]12C[C@H](c3ccccc3)C[C@@H](C1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2 45231441 NNCTXKNNQUMOPC-JHMXWDHMSA-N 423.988 5.240 0 1 HKAF CC1=C(c2nc3ccccc3s2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 45318694 BUEQVWRGYXLMAG-LJQANCHMSA-N 413.333 6.246 0 1 HKAF COc1ccc(C(=O)[C@@H]2C[C@@H]2CN2CC=C(c3c(C)[nH]c4ccccc34)CC2)cc1 58589929 ZIBUAIDTTBQCKB-NFBKMPQASA-N 400.522 5.093 0 1 HKAF COc1ccc(Oc2ccc(Nc3ccccc3C(=O)O)cc2C(F)(F)F)cc1 62260229 RVEAZGUMCOFVFW-UHFFFAOYSA-N 403.356 5.948 0 1 HKAF CCOC(=O)/C(=C/Nc1ccccc1Cl)c1ccc(OCc2ccccc2)cc1 72175482 AUCFYCUJLHAIAI-LTGZKZEYSA-N 407.897 5.935 0 1 HKAF CCCCCn1c(-c2cccs2)nc2c(NCCc3ccccc3F)ncnc21 82180858 QDGOQCJALLZKSG-UHFFFAOYSA-N 409.534 5.539 0 1 HKAF CCOc1ccccc1C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C1 103255331 PZKRICNZECDPCL-JOCHJYFZSA-N 411.332 6.748 0 1 HKAF CCC[C@@H](C(=O)NC#N)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1)CCCC3 113123754 SOZJTZUWEUTVFS-LJQANCHMSA-N 417.578 5.940 0 1 HKAF COC[C@H](C)NC(=O)c1cc(NC(=O)c2ccc(C)s2)cc(-c2ccc(C)cc2)c1 142608152 MOJPVOYRZJKKGU-INIZCTEOSA-N 422.550 5.049 0 1 HKAF CCCCNC[C@@H](O)c1cc(-c2ccccc2C(F)(F)F)nc(C(F)(F)F)c1 142788630 KYQDDQIGMSAHJB-MRXNPFEDSA-N 406.370 5.209 0 1 HKAF CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1OC)c1ccccc1 148884352 YXMVFBPSXIOUCZ-DGSHYXBKSA-N 424.500 6.038 0 1 HKAF CN(C(=O)N(C)c1nonc1-c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 169320937 PDURSRQDDWDSLD-UHFFFAOYSA-N 410.783 5.101 0 1 HKAF Fc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccc(Cl)cc3)o2)cc1 169333957 LHNZRFCNZXFKDK-UHFFFAOYSA-N 416.843 6.049 0 1 HKAF CCC[C@H]1[C@]2(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@]2(C)CC[C@]12C[C@@]21CC[C@H](N)C(C)(C)C1 238782764 UVVUDBUSZSDPJI-RUERYLGASA-N 418.710 5.454 0 1 HKAF Oc1cc2cc(c1)Oc1c(O)cc(cc1O)CCCCCCCC=CCCCCC2 253684494 LWPGCSYZHNHGJW-UHFFFAOYSA-N 410.554 7.152 0 1 HKAF O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C12CC3CC(CC(C3)C1)C2 299862911 KHSPCMSBBVBWCC-UHFFFAOYSA-N 402.563 6.042 0 1 HKAF COc1cc(-c2nnc3n2CCC[C@H]3c2ccc(Cl)cc2)ccc1-c1cnc(C)o1 473249621 WZNICBGNGBYHPE-SFHVURJKSA-N 420.900 5.496 0 1 HKAF Clc1cccc(-c2nc(-c3nc4ccc5c(c4[nH]3)CCCC5)cs2)c1Cl 587014987 BTOKHKQLAFBPQD-UHFFFAOYSA-N 400.334 6.539 0 1 HKAF CC(C)(C)c1cccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c12 587015044 CMNDICQRIVTIET-UHFFFAOYSA-N 402.350 6.958 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc3nc(C)ccc3c2[nH]1 587035082 NSJNABLPFPNZRA-IBGZPJMESA-N 414.534 5.905 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c2)c1 587050851 URFBBGOHEZXTKY-UHFFFAOYSA-N 424.887 7.155 0 1 HKAF CCOC(=O)[C@@H](Cc1cccc(C)c1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106623 MKAWLZLINRTRGL-QHCPKHFHSA-N 421.496 5.644 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4cccc(Br)c4[nH]3)c(Cl)c2)cc1F 587146063 XQUJGWHZGPWNOH-UHFFFAOYSA-N 415.693 6.760 0 1 HKAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587151512 ZRWVKTHCSRPLQV-IBGZPJMESA-N 403.354 6.061 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)c1 587158507 NHDHAVMPRKARRD-UHFFFAOYSA-N 400.375 5.987 0 1 HKAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587258552 NEZZCQJBHUILAW-KRWDZBQOSA-N 413.308 5.442 0 1 HKAF CC1(C)CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587354494 QVUQSMTZQPNYFP-JYFHCDHNSA-N 402.465 5.857 0 1 HKAF O=C1c2ccc(O)cc2O[C@](/C=C2/CCCO2)(c2ccccc2)[C@H]1c1ccc(F)cc1 587358857 QOEUNYQNWGIGHO-ZYOVPZJFSA-N 416.448 5.480 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cccc4c2[C@@H]3CCC4)c1 587364782 CYXCAXNRNNNVTL-FQEVSTJZSA-N 403.481 7.105 0 1 HKAF C[C@@H]1CSc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587376909 YUOUZKFODQOOIY-MQWOPBJLSA-N 406.478 5.528 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1Cl)(c1cccc3ccccc13)O2 587379531 VMZAOKSMDVXRRR-AREMUKBSSA-N 413.904 6.293 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(c2ccc(Cl)cc2)=COc2cc(O)ccc21 587379595 JOJZORHZPOKITR-DEOSSOPVSA-N 419.864 5.230 0 1 HKAF CCCCN(CCCC)c1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587467182 DMWGYSHNSLFWRU-VWLOTQADSA-N 409.570 6.458 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(=O)OC)cc3)cc1)CC2=O 587478170 IECRQWAJWWKWIX-XMMPIXPASA-N 416.473 5.505 0 1 HKAF O=C1C[C@]2(CCC[C@@H]2c2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587508261 OJCSCQLQPMEBJL-OFNKIYASSA-N 400.440 6.256 0 1 HKAF O=C1C[C@H](C2(c3ccccc3)CCC3(CC2)OCCO3)Oc2c1ccc1c2CCCC1 587535997 PZDCUDLZVOKXRA-XMMPIXPASA-N 418.533 5.154 0 1 HKAF COc1cc(C)c(Cl)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541548 FNVCYVGUYZMRIQ-REWPJTCUSA-N 410.853 5.240 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ncc1C(F)(F)F 587554824 JNZQIIGNCSZTSN-LPHOPBHVSA-N 421.758 5.162 0 1 HKAF CCOC(=O)c1c(-c2ccc(Br)c(OC)c2F)[nH]c2cccc(F)c12 587634383 XESVSXBXBIDVCX-UHFFFAOYSA-N 410.214 5.061 0 1 HKAF CC(C)c1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587656465 LCMZNTPSRZGFIZ-UHFFFAOYSA-N 404.416 5.154 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2C(F)(F)F)N1 587712098 NXDJEOUMIXICGW-PWJLMRLQSA-N 422.647 5.884 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2C(F)(F)F)N1 587713578 SRHXOFHMYMZSJM-PWJLMRLQSA-N 422.647 5.884 0 1 HKAF Cc1ccc(-c2cnc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)c(C)c1 587772137 DOTGADFSJNPRDJ-RBZFPXEDSA-N 415.306 5.484 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cccnc3)cc2)N1 587778428 NCIRJFLLZGZRCJ-YEJXKQKISA-N 413.290 5.399 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(c2ccccc2)N1 587815290 ZTQKQGXXJRTMHN-OSPHWJPCSA-N 424.357 5.999 0 1 HKAF CC(C)CCOc1cc2nc([C@@H]3CC[C@@H](C(C)(C)C)C3)[nH]c2cc1Br 587968398 CCVVXMYREPGXHO-HUUCEWRRSA-N 407.396 6.680 0 1 HKAF Nc1c(C(=O)c2cccs2)sc2nnc(-c3ccccc3)c(-c3ccccc3)c12 958026548 PPSPYIOKOJNHGF-UHFFFAOYSA-N 413.527 5.900 0 1 HKAF Cc1cc2c(cc1F)[C@](Cc1ccccc1Br)(c1ccco1)NCC2 962092255 MEMPNFSGWLUCCC-OAQYLSRUSA-N 400.291 5.122 0 1 HKAF COc1cccc(NC(=O)C2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 1911571515 ICPCFFJMGAJYEG-UHFFFAOYSA-N 400.522 5.135 0 1 HKAF CC(C)[C@H](C)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356494038 PRKPDIRLXGMLSU-XNMKRGEFSA-N 400.691 7.491 0 1 HKAF CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCOC(=O)C(C)=CC(=O)O)CO 2356513032 OYLSINCAGYDFBO-UHFFFAOYSA-N 418.574 5.679 0 1 HKAF COc1ccc([C@H]2NC(=O)N=C(c3ccccc3)/C2=C2/Nc3ccccc3S2)cc1 103839309 IHYIMEBNXWMYHF-IAMBOQNYSA-N 413.502 5.378 0 3 HKAF FC(F)(F)c1ccc2c(c1)nc(-c1ccccc1)n2C[C@@H]1CCCN2CCCC[C@H]12 1659075 VMZQRZAFYVIVPQ-GHTZIAJQSA-N 413.487 5.987 0 1 HKAF Oc1cc(N[C@H]2CCC[C@H](NCc3ccc(Cl)c(Cl)c3)C2)nc2ccccc12 13488721 VVRVVFIBTJARSD-HOTGVXAUSA-N 416.352 5.760 0 1 HKAF CCN1C[C@H](C(=O)OC2CCCCC2)C[C@H]2c3cccc4c3c(cn4C(C)C)C[C@@H]21 27520455 JOXZPGZYPLJYPY-UCFCWBNQSA-N 408.586 5.448 0 1 HKAF O=c1[nH]c2ccc(-c3cc[nH]n3)cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1 28604109 JPHFPXZCRMQUKL-UHFFFAOYSA-N 423.520 5.052 0 1 HKAF CCCCCCC(=O)OC[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1N2C 29131468 HDABHKBEYPDLDS-TWFHAPMSSA-N 412.401 6.073 0 1 HKAF Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(C(F)(F)F)c3)=N2)cc1 38466796 LGNMZDDYTDVTCQ-UHFFFAOYSA-N 402.366 5.277 0 1 HKAF CCC1=C[C@](/C=C/c2ccccc2)(CC)[C@@](CC)(C(=O)O)[C@H]2[C@H]1[C@@H](CC)C(=O)[C@@H]2C 40933330 IJBZGABOCOJLTC-DLBIIVFHSA-N 408.582 6.405 0 1 HKAF CC(C)=CCc1c(O)c(C)cc2c1O[C@H]1c3ccc(O)c(CC=C(C)C)c3OC[C@@H]21 59151644 XQHLJEHHIHCILO-LVXARBLLSA-N 406.522 6.033 0 1 HKAF biogenic,in-vitro CCSCCC12CCC(c3nnc(-c4ccccc4C(F)(F)F)n3C)(CC1)CC2 71330906 UAYZIYYBLXQLES-UHFFFAOYSA-N 423.548 6.236 0 1 HKAF Cc1ccc(CNc2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccc(F)cc3)n2)o1 82136247 OXIUJFQMXBLLIP-YCRPNKLZSA-N 422.504 5.105 0 1 HKAF Cc1ccc(CCNc2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccco3)n2)cc1 82142155 DJYSCRDTEYFKHL-GHTZIAJQSA-N 418.541 5.008 0 1 HKAF Cc1cccc(-c2nc(NCCc3ccccc3F)ncc2-c2nc(C)c(C)s2)c1 82173676 XLAKDIBNTCYMJT-UHFFFAOYSA-N 418.541 5.986 0 1 HKAF C/C(=C(\c1ccccc1)c1ccc(OCCN2CCN(C)CC2)cc1)c1ccccc1 96915223 KXSKRTPRPIEFCC-NFFVHWSESA-N 412.577 5.292 0 1 HKAF CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(N(C)C)cc2)C2=C(O)CC(C)(C)CC2=N1 103646446 IJDKCODRMKQEMD-HSZRJFAPSA-N 421.585 5.209 0 1 HKAF CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2cccs2)C2=C(O)CCCC2=N1 104006803 XELXKECLSILABT-FQEVSTJZSA-N 400.450 5.473 0 1 HKAF O=C(Nc1nc(-c2ccc(O)cc2)c(CC2CCCCC2)s1)c1ccc(O)c(O)c1 115803517 JYDBFJWEKLXWEZ-UHFFFAOYSA-N 424.522 5.302 0 1 HKAF CC[C@@H](Nc1ccc(Cl)c(CN2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 118397503 DHZNVEVZQFYGJN-HXUWFJFHSA-N 407.341 5.381 0 1 HKAF C[C@H]([C@@H](O)CCC1CC1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118932656 HNXXYUFJNVUPGA-INYTVJPTSA-N 400.647 6.114 0 1 HKAF O=C(Cc1cccc(C(F)(F)F)c1)Nc1nc2ccc(C(F)(F)F)cc2s1 169309135 CBWVOWROPNQRTF-UHFFFAOYSA-N 404.335 5.515 0 1 HKAF COc1ccc2ccc(COc3ccc(-c4nn(C)cc4-c4ccncc4)cc3)nc2c1 169326636 BRDQOLSXSCSMNW-UHFFFAOYSA-N 422.488 5.285 0 1 HKAF CCN(CC)C[C@@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccc(OC)cc12 169333902 GAKTURBXMMNZJN-JOCHJYFZSA-N 419.352 5.592 0 1 HKAF O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cc(F)cc(F)c2)cc1 216053599 AYBDGNOCMCYTCG-UHFFFAOYSA-N 424.878 5.663 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@@H]1[C@@H](O)C3 257485545 MPCLLXXLNXORCU-IBCLTGBRSA-N 402.663 6.504 0 1 HKAF endogenous,in-man CC(C)CCC[C@@H](C)[C@@H]1[C@H](O)C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C 299850551 UYOSSIFSBNNKRC-NZDFPVICSA-N 420.678 5.410 0 1 HKAF FC(F)(F)Oc1cc(Br)c2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2c1 586883991 FZFGBUHXPZINPE-ACJLOTCBSA-N 423.232 5.596 0 1 HKAF Brc1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2n1 587040563 OCPRQCNJSNBNET-UHFFFAOYSA-N 423.339 5.566 0 1 HKAF CCCCOc1cc2nc(-c3ccc(Cl)cc3OC)[nH]c2cc1Br 587066774 RJHIRKAMILSBFM-UHFFFAOYSA-N 409.711 5.833 0 1 HKAF O=C1CCc2cc3nc(-c4cc(-c5ccccc5)nc5c(Cl)cccc45)[nH]c3cc2N1 587082228 JMLDGZPGNRPZQS-UHFFFAOYSA-N 424.891 5.983 0 1 HKAF Cc1ccc2c(c1)CCCN2[C@@H](C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106944 PDCRKDAGJMXZEM-SFHVURJKSA-N 404.513 6.268 0 1 HKAF FC(F)(F)c1ccc2ncc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)cc2c1 587111282 CLZLNGFNALWQSA-UHFFFAOYSA-N 417.700 5.211 0 1 HKAF Fc1c(Br)cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1F 587120409 HXEVGSROGTVDCE-UHFFFAOYSA-N 417.135 5.166 0 1 HKAF Cc1ccc2c(ccc3nc([C@H](C(C)C)N(C)C(=O)OCc4ccccc4)[nH]c32)n1 587198230 CKRJOXHQWHTOED-QFIPXVFZSA-N 402.498 5.385 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCNc3cc(Cl)ccc32)[C@@H]1c1ccc(F)cc1 587327543 GYPBLRSBTARTPI-VWNXMTODSA-N 423.871 5.645 0 1 HKAF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1OC 587351614 NBHDMZURDQXJAT-RCZVLFRGSA-N 422.452 5.131 0 1 HKAF CC(C)CCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353627 LMDFKQWVLDJQBW-XNMGPUDCSA-N 418.508 6.612 0 1 HKAF COc1cccc(-c2cc(CC(=O)Nc3ncccc3C)nc3c2oc2ccccc23)c1 587363652 VPRWPMVLTVXKGI-UHFFFAOYSA-N 423.472 5.541 0 1 HKAF COC(=O)N[C@@H](c1ccccc1)C(C)(C)[C@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 587385658 DPZRDXSBEJSELC-WIOPSUGQSA-N 424.541 5.061 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3ccccc3Cl)o1)CC2=O 587461044 JCVJOELWYVHJQQ-QFIPXVFZSA-N 412.869 5.877 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1ccc(Cl)cc1)CC2=O 587468451 VFMBCPIHGFTYNC-DEOSSOPVSA-N 410.872 6.046 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3ccn(C(=O)OC(C)(C)C)c3c1)CC2=O 587475732 OJHSQELBKWALRZ-JOCHJYFZSA-N 421.493 5.789 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCCC(=O)O)(c1ccc(C(C)C)cc1)CC2=O 587489044 MKGMPTAHPHMLEX-VWLOTQADSA-N 410.510 5.584 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(C)cc3)nc3ccccn13)CC2=O 587493070 ZHZNMTDDXCFLSX-QFIPXVFZSA-N 412.489 5.674 0 1 HKAF O=C1C[C@H](c2ccc3c(Br)ccc(O)c3n2)Oc2c1ccc1c2CCCC1 587499781 VELGTIUNUMCZOK-HXUWFJFHSA-N 424.294 5.288 0 1 HKAF O=C1C[C@@H](c2cccc(OCc3ccccc3Cl)c2)Oc2c1ccc1c2CCCC1 587506531 NCTMVPLZGOJUTI-VWLOTQADSA-N 418.920 6.504 0 1 HKAF CCC(C)(C)c1ccc(OCc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 587565409 HBVBNEYYRGTLAF-UHFFFAOYSA-N 402.563 6.981 0 1 HKAF Cc1ccc([C@]2(C3CCCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587602402 JXZOIAUOGMTBPY-OZXSUGGESA-N 400.474 5.748 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1cccs1 587615725 XQLGLYSJGRUTFZ-DHLKQENFSA-N 414.482 5.554 0 1 HKAF CCOC(=O)C(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]c2c(C)cc(Cl)cc12 587624181 ZIABBWCLDGXJOJ-UHFFFAOYSA-N 410.684 5.849 0 1 HKAF Cc1ccc(O)c(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)c2ccc(Cl)cc2)c1 587627753 BQQFZYQTJQROOH-UHFFFAOYSA-N 414.263 6.526 0 1 HKAF Cc1[nH]c2ccc(Cl)cc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587694604 HHDALLOPRZYFHN-UGZDLDLSSA-N 407.714 5.655 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3cccc(Cl)c3)c2)N1 587700013 LFVMEYCXRLBCRU-WLRWDXFRSA-N 420.713 5.051 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc3cccnc23)N1 587700227 SIOZUPZRZJHXCV-GIGQVBGESA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(C(F)(F)F)N1 587709243 JPQGQUMSJMYZPY-XXFAHNHDSA-N 406.192 5.067 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3cccc(F)c3)s2)N1 587731456 LYHISFRYJMEYPT-YPMLDQLKSA-N 421.310 5.474 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2OCC2CC2)N1 587731961 MHEQKDAPEAQJRM-YBTHPKLGSA-N 408.286 5.140 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccc(F)cc3)c2)N1 587735407 PRSIWAJKBCBMMB-DMZKTXOQSA-N 414.293 6.018 0 1 HKAF Cc1cc(C)n(-c2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)n1 587763779 MJOPIVYZQUJERD-XUSGNXJCSA-N 414.322 5.014 0 1 HKAF CCOc1ccc2nc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 587780229 ZCYXELIBCGVAQP-GTJPDFRWSA-N 415.306 5.159 0 1 HKAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC(C)C 587792740 MIBDCUTUTAEPBZ-FKIZINRSSA-N 408.311 5.008 0 1 HKAF CCCCC[C@H](C(=O)OCC)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797116 LTSKYWNFFCWJLW-AGKSTNPPSA-N 414.359 5.097 0 1 HKAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC1CC1 587806039 ILOXDVOEHXEOLQ-XUSGNXJCSA-N 420.322 5.009 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2SC(C)(C)C)N1 587841071 PGKKXTKOTQAVSV-YEJXKQKISA-N 422.407 6.277 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sccc2Br)N1 587846676 VLDOJVOLCCESTK-FUXBKTLASA-N 405.130 5.036 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([C@H]3CCCCO3)s2)N1 587850272 YHCTWASZRZROSA-CYXMAGCYSA-N 410.352 5.515 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 587861031 KHRXOAIKICPWSL-CVEARBPZSA-N 420.818 5.675 0 1 HKAF CS(=O)(=O)Nc1ccc(-c2csc(C(c3ccccc3)c3ccccc3)n2)cc1 587923933 SXJKEUXRBIFXCE-UHFFFAOYSA-N 420.559 5.362 0 1 HKAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 587933002 IMGALZWUQHIULD-HXUWFJFHSA-N 414.452 6.364 0 1 HKAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@](c3ccccc3Cl)(C3CCC3)N12 962664812 KRSZETFSMOUPQU-JWQCQUIFSA-N 420.940 5.031 0 1 HKAF Cc1cccc(Br)c1[C@@]1(C)c2ccsc2CCN1Cc1ccco1 962705271 KYNGVLJLAJZGPN-HXUWFJFHSA-N 402.357 5.734 0 1 HKAF C[C@@H]1N(Cc2ccccc2)CCC[C@@]12c1cccc(F)c1CCN2[C@H]1CCSC1 962718006 XIKFNCOIBCMURJ-OWHZGTRUSA-N 410.602 5.069 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)c1ccc2ccccc2c1OC(F)F 963639555 VLCYXRVAKIJXJT-LFPIHBKWSA-N 413.464 5.256 0 1 HKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2[C@@H](OC(C)=O)[C@@](C)(OC)CC1 1857656714 QNQVIRAZQPCQEB-VWNXMTODSA-N 402.531 5.180 0 1 HKAF CC(=CCC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1)CCC=C(C)CCC(=O)O 2356284691 QRIWRFHSVDRBRJ-RUZDIDTESA-N 400.559 6.411 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)[C@@H](CO)[C@@H]1CC3 2356315809 UPEGTKGKNWDIAN-KFIVDMCQSA-N 416.690 6.751 0 1 HKAF CC(C)[C@@H](O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356386999 DGZVTDWQDGXMNS-RFXIROGFSA-N 404.679 6.439 0 1 HKAF CC(C)[C@H](C)[C@H](C)C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@H]3CC[C@@]12C 2356439054 CMXHVJSZSBTYDB-JWOVEUNHSA-N 402.707 7.571 0 1 HKAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2C[C@H](O)[C@@H]2[C@@H](C(C)=O)CC[C@]23C)C1(C)C 2356673407 MLAAWJXDCTXSPC-ISLDGASHSA-N 418.618 5.163 0 1 HKAF CC(C=C[C@H](C)C(C)C)=C1[C@H](O)CC2=C3C=C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 2356794622 LHISSQSEJOQIGC-UCEHQSSGSA-N 410.642 6.366 0 1 HKAF COCCc1ccc(O[C@]2(C)CCN(Cc3ccc(OC)c4ccccc34)C2)cc1 61895375 FCSMMKDCYMVCGB-AREMUKBSSA-N 405.538 5.081 0 3 HKAF CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N1 8336818 KTCRAZKSMCTHBB-QFIPXVFZSA-N 419.500 5.612 0 1 HKAF COc1cc(O)c(C)c(O)c1C(=O)[C@@H]1CC(CCC=C(C)C)=CC[C@H]1c1ccccc1 13410491 JOEBLRXPBOSMJF-FCHUYYIVSA-N 420.549 6.464 0 1 HKAF biogenic CCC[C@@H](C)n1c(CC)nc2c(-c3ccc(SC)cc3C(F)(F)F)ccnc21 13479610 OBVUVECLSXLURW-CYBMUJFWSA-N 407.505 6.763 0 1 HKAF C[C@@H]1c2c(ccc3c2[C@H](c2ccc(Cl)cc2)Oc2ccccc2-3)NC(C)(C)[C@H]1O 13796852 NTYFVXJANQIJET-HMCSHOMXSA-N 405.925 6.157 0 1 HKAF COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3ccccc3)c1)CC2 13806104 VMBKNKMDWXZGME-UHFFFAOYSA-N 413.399 5.371 0 1 HKAF CC1(C)CCc2cc([C@H]3CC(=O)c4c(cc5c(c4O)CCC(C)(C)O5)O3)ccc2O1 14637370 QSAGUVMYNHRPAW-LJQANCHMSA-N 408.494 5.306 0 1 HKAF biogenic,in-vitro COc1ccc(CCC[n+]2ccc(COC(c3ccccc3)c3ccccc3)cc2)cc1 25995924 AMDKAAVDHJTYLJ-UHFFFAOYSA-N 424.564 5.922 0 1 HKAF COc1ccc(CN[C@H](CN[C@H](C)c2cccc3ccccc23)Cc2ccccc2)cc1 26995592 ZGTKYTKCGFIPOM-GJZUVCINSA-N 424.588 5.900 0 1 HKAF CN(C)CC[C@H](NC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 28653909 MWDNWBAEYUTSSR-IBGZPJMESA-N 412.883 5.101 0 1 HKAF COc1ccc(CCN(C)CCCC(c2ccccc2)c2ccccc2)cc1OC 29394915 UVVGAKREPDRKNY-UHFFFAOYSA-N 403.566 5.790 0 1 HKAF Cc1cc(NC(=O)C(=O)O)cc(C)c1Oc1ccc(O)c(-c2ccccc2Cl)c1 29399031 LDXQUHBKDAHUTN-UHFFFAOYSA-N 411.841 5.145 0 1 HKAF CCCCNC(=O)c1ccc2c(c1)N=C(c1ccccc1Cl)c1ccccc1S2 40409968 YYGCEPFDGICETR-UHFFFAOYSA-N 420.965 6.504 0 1 HKAF C[C@H]1C[C@@H](C)CN(Cc2ccc(-c3ccc(CN4C[C@H](C)C[C@@H](C)C4)cc3)cc2)C1 40566997 LJPGMCFDZQFOND-YCAMKHIRSA-N 404.642 6.309 0 1 HKAF CC(C)CNC(=O)/C=C/[C@H]1C[C@H]1[C@H]1C[C@H]1[C@H]1C[C@H]1[C@H]1C[C@H]1[C@H]1C[C@H]1/C=C/[C@H]1C[C@@H]1C 40748813 SZYJBOHZBFNTMP-MVSPJZIKSA-N 407.642 5.708 0 1 HKAF in-vitro CCCN(CCC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1Cl 40949457 DMRBJZGQAKQVRL-UHFFFAOYSA-N 402.369 6.907 0 1 HKAF Nc1ccccc1NC(=O)c1ccc(CNCc2ccc(-c3ccccc3)cc2)cc1 49808124 COMYWTAJEBAQFQ-UHFFFAOYSA-N 407.517 5.478 0 1 HKAF COc1cc([C@H]2c3c(nc4c(c3N)CCCC4)Oc3ccc4ccccc4c32)ccc1O 71318571 WUDMZCGNMXLYBE-HSZRJFAPSA-N 424.500 5.696 0 1 HKAF CCc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)CC[C@@H](CN(C)C)C4)cc2)cc1 72113061 IOHAOIFSDVOIOB-OAQYLSRUSA-N 412.577 5.835 0 1 HKAF CC/C(=C/C=C\C(O)(CC)CC)c1cccc(OCc2ccc(CO)c(CO)c2)c1 80345784 ZPQGIRYXMGFFNL-LKAJIMDTSA-N 410.554 5.151 0 1 HKAF in-vitro CC[C@@H]1[C@@H](C)C[C@@]2(O)C(=O)O[C@H](C)[C@H]2[C@H]1/C=C/c1ccc(-c2cccc(C)c2)cn1 84603991 AJEAEIBHWRWPPJ-DCKFHVCFSA-N 405.538 5.045 0 1 HKAF CCC[C@H](C1CC1)n1c(=O)c(C)nc2c(-c3ccc(Cl)cc3Cl)ccnc21 84672495 NLZBSIOTBMXFKJ-GOSISDBHSA-N 402.325 5.825 0 1 HKAF CCNCCOc1ccc2[nH]c(C(=O)c3ccc(Oc4ccccc4)cc3)cc2c1 95563042 YEWCMHHSAQXNFU-UHFFFAOYSA-N 400.478 5.180 0 1 HKAF COc1ccc(-c2ccc3c(c2)-c2[nH]c4ccc(C(C)(C)C)cc4c2CC(=O)N3)cc1 96923498 WBEPYLXFQQMWAB-UHFFFAOYSA-N 410.517 6.303 0 1 HKAF CSc1ccc(-c2nc3sc(-c4ccc(F)cc4)nn3c2-c2ccccc2)cc1 103175493 KCXVCTHAKQHFCX-UHFFFAOYSA-N 417.534 6.653 0 1 HKAF COc1cccc(C(=O)CSc2nc(C)c(C)n2Nc2ccc(Cl)cc2)c1 103244285 IJESQIIAHZIDJL-UHFFFAOYSA-N 401.919 5.012 0 1 HKAF Ic1cc2ccccc2[n+](CCCCCC2CCCCC2)c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c1ccc(-n2cnnc2SCc2nc3cc(C)c(Cl)cc3[nH]2)cc1Cl 586968924 YKYQGZAIROYSNG-UHFFFAOYSA-N 404.326 5.360 0 1 HKAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(C(C)(C)C)cc2[nH]1 586985244 SQIIXYKNOHCILO-IBGZPJMESA-N 414.347 5.043 0 1 HKAF CCOC(=O)Cc1nc2ccc(O)c3c2c(c1C1CCCCC1)-c1ccccc1C3=O 586989631 MXJSTFZTXLZLHJ-UHFFFAOYSA-N 415.489 5.305 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(F)cc4C(F)(F)F)nc13)-c1ccccc1C2=O 586993407 NAFLEXKGMZHFEO-UHFFFAOYSA-N 407.366 6.580 0 1 HKAF Cc1cc(Br)cc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587030013 YFUKZNMHNHKBPN-UHFFFAOYSA-N 400.301 5.336 0 1 HKAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c2C1 587032332 TYSXKVOTRVSSKP-UHFFFAOYSA-N 409.433 5.002 0 1 HKAF CCCOc1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2cc1Br 587036445 BMHDBXBXQGQZSG-INIZCTEOSA-N 407.333 5.032 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Cl)c(F)cc2[nH]1 587069067 BSEMJFIKPUVNRR-DXPHVESMSA-N 409.719 7.028 0 1 HKAF Oc1ccc(Nc2cccc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c2)cc1 587242181 OQTLRHLKICSVRH-UHFFFAOYSA-N 414.690 6.095 0 1 HKAF Nc1ccc(/C=C/c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 587251399 GBTIUXGHWURYFK-DHZHZOJOSA-N 420.310 5.657 0 1 HKAF C[C@]1(c2cccc(OC(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327174 FNGPYZQHLSKNRE-NFBKMPQASA-N 414.379 5.407 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccccc2[C@H]3C(=O)O)c1 587366985 SQTXKWSDDSNOGA-OAQYLSRUSA-N 407.425 5.854 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587510447 GTUFMAWQPCZFIY-QFQXNSOFSA-N 419.521 5.396 0 1 HKAF COc1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587542354 ITPMURNPEBMEMA-NZQKXSOJSA-N 410.853 5.017 0 1 HKAF CC(C)(C)C[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543350 BJUTZIXYVFJGKO-PXDATVDWSA-N 422.908 6.339 0 1 HKAF CCN(CC)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587556237 WLQVFLCMBAEEIJ-XUZZJYLKSA-N 407.441 5.080 0 1 HKAF CC1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 587579871 AHRJZYVRGWIGQF-JYFHCDHNSA-N 415.489 5.331 0 1 HKAF CC(C)Sc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587609041 UKXYXKBCRGNBCK-XUZZJYLKSA-N 406.503 5.770 0 1 HKAF Fc1ccc2[nH]c(-c3ccc(OC(F)(F)F)cc3)c(CC3CCCC3)c2c1Cl 587629603 DHVLCSMMDUSHSX-UHFFFAOYSA-N 411.826 7.259 0 1 HKAF Cc1[nH]c2ccc(Cl)cc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587694602 HHDALLOPRZYFHN-HOGDKLEQSA-N 407.714 5.655 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)(F)F)cc2)N1 587720887 OOZJTFAODYQZFK-ABKXIKBNSA-N 404.201 5.110 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccc(F)cc3)c2)N1 587735820 QJZAQCWRXRPRFS-DMZKTXOQSA-N 414.293 6.018 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2N2CCCCCC2)N1 587764342 DPZUXNMPTPGKKC-GQWLDOHISA-N 409.387 5.136 0 1 HKAF Cc1cccc([C@@]2(c3ccccn3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587773349 QSNSHAIHLKMMOK-IVZQSRNASA-N 411.318 5.118 0 1 HKAF COc1ccc(-c2cccc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c2)cc1O 587785447 AACWPRLFEAUDHP-UHFFFAOYSA-N 422.488 5.443 0 1 HKAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC(C)C)c1 587792773 MRIUWMCPLWIZFG-YUNKPMOVSA-N 408.311 5.008 0 1 HKAF CCOc1ccc2[nH]cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587800156 APJIJGDIJGOOTA-PRWKNARSSA-N 403.295 5.092 0 1 HKAF C/C=C\[C@]1([C@@H]2C(C)=CCCC2(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587814703 IIGJAQWHUDKTDE-VKTCSDEJSA-N 406.383 6.276 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nc(-c3ccccc3)cs2)N1 587851520 CFYRRTYRUYXFMJ-YUNKPMOVSA-N 417.347 5.509 0 1 HKAF CC(C)(C)c1ccc(-c2cc(O)n(CCCc3ccc(Cl)c(Cl)c3)c2O)cc1 587943228 RDBBSIGPWSJJTA-UHFFFAOYSA-N 418.364 6.803 0 1 HKAF Oc1cc(-c2ccc(Cl)cc2)c(O)n1-c1cc(F)c(Br)cc1F 587944029 WSXBMNFXLWAFEF-UHFFFAOYSA-N 400.606 5.250 0 1 HKAF CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(-c3ccccc3C)c2O)n1 587944112 BKSPSHZBXNVUKC-UHFFFAOYSA-N 423.469 5.085 0 1 HKAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(Br)c(C)c(C)c4[nH]1)(C3)C2 587949277 DTHLPVXXLSCNKO-XFKLWTPLSA-N 417.347 5.096 0 1 HKAF C[C@H](CCNC(=O)OC(C)(C)C)C[C@@]1(C)NCCc2c(Cl)cc(Cl)cc21 963115294 ZZPMXPBJACINPC-ZUOKHONESA-N 401.378 5.295 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1cn(-c2ccc(Cl)c(Cl)c2)nn1 963235053 FNKOIGVFNRWBIX-NYHFZMIOSA-N 415.368 5.494 0 1 HKAF COc1ccc2c(c1)[C@@H](c1cc3ccc(Cl)cc3[nH]1)N(Cc1ccc(F)cc1)CC2 963300419 FATLYWFFGIEOCX-VWLOTQADSA-N 420.915 6.117 0 1 HKAF O=C(N[C@@H]1CCC(F)(F)C1)c1ccc2cc(Oc3ccc(C(F)F)cn3)ccc2n1 1772571679 RVBZESUAOAVSKU-CQSZACIVSA-N 419.378 5.277 0 1 HKAF CC[C@@H](C)CC(=O)OCC[C@H](C)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O 1857534498 MGQFEMTUZLJHRZ-PTNTZIBWSA-N 408.667 6.766 0 1 HKAF COc1ccc(-c2nc(-c3ccccc3)n3c2-c2[nH]c4ccc(OC)cc4c2CC3)cc1 1857538962 XIVVXZNJFJHCNT-UHFFFAOYSA-N 421.500 5.939 0 1 HKAF O=C(O)c1ccc(-n2cc(C(=O)c3c(F)cc(F)cc3Cl)c3ccccc32)cc1 1857553681 DJJAVASKFMQFBF-UHFFFAOYSA-N 411.791 5.491 0 1 HKAF Cc1cnc(Nc2ccc(N3CCCCC3)cc2)nc1Nc1nc2ccccc2s1 1857606401 GEJKIFCDSKSZMS-UHFFFAOYSA-N 416.554 5.872 0 1 HKAF NC[C@](CCN1CC=C(c2ccc(Cl)cc2)CC1)(c1ccccc1)C1CCCC1 1857759009 ROBJDFLYWHJESD-AREMUKBSSA-N 409.017 5.906 0 1 HKAF CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2C[C@H](O)Cn1cncn1 1857766274 KKLVXIGWFASFSU-LJQANCHMSA-N 404.558 5.042 0 1 HKAF C[C@@H]1CCC[C@]2(C)CC[C@]3(C)[C@H](C=C[C@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]34C)[C@@H]12 2356412140 INZYDYJREHWAIL-JRCVOXNWSA-N 412.702 7.635 0 1 HKAF CCC1=C[C@](C=Cc2ccccc2)(CC)[C@](CC)(C(=O)O)[C@@H]2[C@H](CC)C(=O)[C@@H](CC)[C@@H]12 2356417890 PONZNCXOVALNKD-RBSWTSNZSA-N 422.609 6.795 0 1 HKAF COc1cc(OC)c2c(c1)O[C@H](c1ccc(O)cc1)C[C@H]2C=Cc1ccc(O)cc1 2356457424 PEFRTDSZTRQEAJ-GCJKJVERSA-N 404.462 5.436 0 1 HKAF C[C@@H]1CN=C(C(=O)[C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)C1 2356534121 HIBLNBRXFIYJIP-VLFLZMMDSA-N 411.630 5.612 0 1 HKAF O=C(c1cc(Cl)cc(Cl)c1)N1CC[C@H]2[C@H](CCCN2Cc2ccc(F)cc2)C1 199408071 XQQBMDKSWRCRNB-IERDGZPVSA-N 421.343 5.259 0 3 HKAF CN(C)CCCCCCN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 3806141 ZTSNZIXPBUGZCP-JOCHJYFZSA-N 400.994 5.158 0 1 HKAF CC(C)O[C@H](CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CCCCC1 28637004 GMKIJWJMLADROB-ZEQKJWHPSA-N 411.586 5.011 0 1 HKAF CCOc1ccccc1Nc1nc(-c2sc(NC(=O)C(C)(C)C)nc2C)cs1 29051463 SHZZMEDASOCQRO-UHFFFAOYSA-N 416.572 5.702 0 1 HKAF C[C@@H](c1nc(-c2ccc(C(F)(F)F)cc2Cl)no1)[C@H](N)C(F)=C1CCCC1 29126172 OUXJTNNYAUPPAM-PSLIRLAXSA-N 403.807 5.637 0 1 HKAF O=C(O)CC/C=C\C[C@@H]1CO[C@@H](c2ccc3ccccc3c2)O[C@H]1c1cccnc1 36242245 QILXQJUTHTWRNC-HTTDELFMSA-N 403.478 5.449 0 1 HKAF Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2cccc(I)c21 36473560 RTGYICRADLNIGZ-UHFFFAOYSA-N 417.206 5.035 0 1 HKAF Oc1ccc2cc1Oc1ccc(cc1)CCc1cccc(c1)Oc1c(O)cccc1CC2 40393727 NTXTVDLVUWOMKO-UHFFFAOYSA-N 424.496 6.566 0 1 HKAF biogenic,in-vitro O=C(c1cc(F)ccc1F)N1c2ccccc2-c2ccccc2[C@H]1c1cccs1 40425078 QWZCYSGQXCUYMZ-QHCPKHFHSA-N 403.453 6.443 0 1 HKAF CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(-c2cccc(F)c2)nc2ccc(OC)cc12 45324260 KKSVXJKOINWIEN-BZXROKRSSA-N 420.528 5.203 0 1 HKAF O=C(O)Cc1sc(Cc2ccccc2-c2ccccc2)nc1-c1ccc(F)cc1 45373080 IFYLZPJOAZNCMO-UHFFFAOYSA-N 403.478 5.834 0 1 HKAF CCC/C(=C\Cl)CCCC(=O)N[C@@H](C)C[C@@H](C)C(=O)[C@@H](C)CC/C=C/Cl 49046422 OEEXJHFQVSGEBK-ORFBCTBQSA-N 404.422 6.348 0 1 HKAF O=C(CCN(C(=O)c1ccc(Cl)cc1)C1CCCCC1)Nc1cc(F)cc(F)c1 72128565 AVQODIGAPFGWID-UHFFFAOYSA-N 420.887 5.422 0 1 HKAF FC1(F)CCC(/C=C/c2nc3ccc(-c4ccccc4C(F)(F)F)cc3[nH]2)CC1 73312915 BTQWROGLUGEKCU-VMPITWQZSA-N 406.398 7.087 0 1 HKAF COc1cc2nc(NCc3ccc(F)cc3)nc(NCC3CCCCC3)c2cc1OC 82119758 IHSYWBQMXFARIQ-UHFFFAOYSA-N 424.520 5.390 0 1 HKAF CC[C@@H](C)Nc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccccc2)n1 82134182 JDGJOUNORDKIEF-LJQANCHMSA-N 402.542 5.405 0 1 HKAF O=C(Nc1ccccc1)N1CCc2sccc2[C@@H]1c1ccccc1C(F)(F)F 84653305 MGZUFJIPFKKQOR-IBGZPJMESA-N 402.441 5.947 0 1 HKAF O=C1Nc2ccccc2/C1=C(/c1ccc(C(F)(F)F)cc1)c1nc2ccccc2[nH]1 84738772 AUWQVEACXUQMAW-FMQUCBEESA-N 405.379 5.493 0 1 HKAF Cc1ccc(CCCOCc2cccc(COCCCc3ccc(C)cc3)[n+]2C)cc1 95581550 JTUWRKGNMXWOFN-UHFFFAOYSA-N 418.601 5.427 0 1 HKAF CC(C)[C@H]1CC[C@H]2C3=CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]21C 95913849 CFSDWXPIIWGIDB-YWMQVRGDSA-N 410.730 9.054 0 1 HKAF Nc1sc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C(=S)NC1CC1 103144097 XHPYDZCLEPCDRX-UHFFFAOYSA-N 419.402 6.399 0 1 HKAF C[C@H](NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)C(C)(C)C 145482771 BCJWPWVRSGFHKX-JTSKRJEESA-N 422.594 6.526 0 1 HKAF CC(C)CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 145548785 GSCVGOWYANABRL-IBGZPJMESA-N 408.523 5.388 0 1 HKAF CC(=O)Nc1cc(Oc2ccc3c(c2)nc(Nc2cccc(C(C)C)c2)n3C)ccn1 167230901 CGKCRNMLFZNYKA-UHFFFAOYSA-N 415.497 5.586 0 1 HKAF COc1ccc2c(c1)[C@H](Nc1cc(-c3ccc4ncsc4c3)nc(C)n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c1ccc2c3c(cc(-c4ccc(C(F)(F)F)c(F)c4)nc13)-c1ccccc1C2=O 586993191 MJNIRGAGKZTYPQ-UHFFFAOYSA-N 407.366 6.580 0 1 HKAF Cc1ccc2c3c(c(Cc4ccc(OC(F)(F)F)cc4)cnc13)-c1ccccc1C2=O 586994880 FPDRADMJNJVBPE-UHFFFAOYSA-N 419.402 6.244 0 1 HKAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc3c(cc2[nH]1)OCCCO3 587122247 UQBDVTBEONRUEN-UHFFFAOYSA-N 415.371 5.146 0 1 HKAF Fc1cnc(Br)c2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc12 587123704 GHYICNIZKMTITJ-UTCJRWHESA-N 418.213 5.642 0 1 HKAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1 587202225 BHZKOONKNBDAQV-UHFFFAOYSA-N 404.392 5.099 0 1 HKAF CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@]2(C)c3nc4cccc5c4c(c3C[C@@H]12)CC5 587214457 QHFVEQHPTYTBSN-ZSRKHSDWSA-N 421.540 5.749 0 1 HKAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587241349 ZJTDTFAIFLQNIU-UHFFFAOYSA-N 411.355 5.440 0 1 HKAF O=C1c2ccc(O)cc2OC2(C[C@@H]3CC[C@H](C2)N3C2CCCC2)[C@H]1c1ccc(F)cc1 587333906 DBZVOGPVJNTWGP-DRTCZKCOSA-N 421.512 5.198 0 1 HKAF Cc1nc2ccccc2nc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347071 ODJNEAIKQMXUSZ-RDGATRHJSA-N 414.436 5.057 0 1 HKAF CC1(C)[C@H](Oc2ccccc2)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348882 AZSWIHOQXPUAEF-JQYIIUTOSA-N 418.464 5.507 0 1 HKAF CCCC[C@@H]1Cc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355087 SFRYGXXWYGRCTB-DSSGHVNRSA-N 416.492 6.148 0 1 HKAF CC(C)[C@]1(c2cc3ccccc3o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357275 UCIHRAIWDSHHLN-AOYPEHQESA-N 416.448 6.188 0 1 HKAF C[C@@]1(c2ccccc2C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358887 YVKWMPFHVDWPAR-RSXGOPAZSA-N 402.465 6.073 0 1 HKAF Cc1cccc([C@@]2(C(C)(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587359101 ZNIZWAIQSOMFQU-JYFHCDHNSA-N 404.481 6.140 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(Cl)nc2CC3)c1 587360466 OOGZRGGDBFDOOG-UHFFFAOYSA-N 412.876 6.471 0 1 HKAF COC(=O)c1cc(F)cc(-c2ccccc2[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587384850 JQHSDNNJBRMSHG-RUZDIDTESA-N 419.452 5.051 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(CCc4ccc(Cl)cc4)c1C)[C@@H](C2)C3=O 587423046 SWBRSFMXSFEGRF-OFVILXPXSA-N 421.924 5.498 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCc3ccc(F)cc3)c1)CC2=O 587472466 RCQVAIKHXHXIAI-XMMPIXPASA-N 406.453 5.769 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(Oc3ccccc3)cc1)CC2=O 587476768 FWEYANDYIQICCL-AREMUKBSSA-N 402.490 6.408 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C(=O)OCC)[nH]c3ccc(CC)cc13)CC2=O 587484404 OSOPTEZRMHXPKY-OAQYLSRUSA-N 421.493 5.272 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)/C(=C\c2ccccc2)Oc2cc(O)ccc21 587491693 PDGHHBHJKCAXJB-DJTCXORXSA-N 414.457 5.345 0 1 HKAF C[C@H]1C[C@]2(CCN1C(=O)OCc1ccccc1)CC(=O)c1ccc3c(c1O2)CCCC3 587516905 GDTQKWGGQYAIEY-HFJWLAOPSA-N 419.521 5.091 0 1 HKAF Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587528409 ZBHFLSMSBZFWAK-AREMUKBSSA-N 421.540 7.037 0 1 HKAF CC(C)(C)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(C(C)(C)C)c1O 587534725 XSFOKGCQGVHDKT-QHCPKHFHSA-N 406.566 6.573 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)F)c(Cl)c1 587553452 FBVKWEOQEXPPFP-YLJYHZDGSA-N 418.779 5.350 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCCC2)cc1 587598089 WCWZRFMMBIPIJV-RCZVLFRGSA-N 401.462 5.085 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(F)c(Cl)c2)N1 587714310 FGGFCMYYYIBRMY-GYKQLYQFSA-N 407.085 5.658 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2cn(C)c3ccccc23)N1 587754558 DWWLIUPJQQODGY-JOJMYKIBSA-N 413.334 5.543 0 1 HKAF Cc1ccc(C)c(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587758741 XZODKRZATBFHDV-IVZQSRNASA-N 413.334 5.619 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)c2ccccc2n3C)N1 587760421 YNOLKYBGCDWIPD-ZLOXQWCVSA-N 423.329 5.857 0 1 HKAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC(C)C)c1 587791443 JRGRILQRHXKVQC-FKIZINRSSA-N 408.311 5.008 0 1 HKAF CCOC(OCC)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587794581 OYTQRHVXRDBDCV-XCLFUZPHSA-N 422.338 5.283 0 1 HKAF CC[C@@H]1c2cc(OC)ccc2CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587806797 JKKDHENFOGPBJM-XJDIIYGHSA-N 418.350 5.466 0 1 HKAF CC(=O)C[C@]1(c2c(C)cc(C)cc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587809996 BSJZANDQIRCVRO-QRQCRPRQSA-N 418.350 5.270 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1CC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810594 DCRBLAFPMKVHKA-LBUQITIBSA-N 408.399 6.500 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc3ccc(Cl)nc23)N1 587859141 VYHBJXRZHYSQJH-QPFGOUBPSA-N 411.727 5.475 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1C[C@@H]1c1ccccc1 587865838 LFYSTPXLRHBWBE-QZTJIDSGSA-N 400.400 5.412 0 1 HKAF COc1ccc(-c2cccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)c2C)c(OC)c1 587930713 UNMANWTUPVUUCF-UHFFFAOYSA-N 400.522 6.520 0 1 HKAF c1ccc(Cc2nocc2[C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cc1 962636944 JOSKDEUPFNVBAE-UFHPHHKVSA-N 421.544 5.102 0 1 HKAF CC(C)(C)c1ccc([C@]2(CCC(=O)O)NCCc3cccc(-c4ccccc4)c32)cc1 962670125 QFGXOPIPBQDVOF-NDEPHWFRSA-N 413.561 5.905 0 1 HKAF CC(C)c1ccc2occ([C@@H]3c4ccsc4CCN3Cc3ccco3)c(=O)c2c1 962700007 BLRUXFCQUNMCRD-QHCPKHFHSA-N 405.519 5.719 0 1 HKAF COC(=O)c1ccccc1-c1ccc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963092474 AXUKKIDWNAQUKI-SQJMNOBHSA-N 401.481 5.389 0 1 HKAF COc1ccc([C@@]2(CCc3ccc(F)cc3)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963114547 USAHVXGVCIWPQL-SQHAQQRYSA-N 419.515 5.870 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cccc(-c2ccc(C(=O)OC)cc2)n1 963228191 KYZKDWSBFKXGOI-IQGLISFBSA-N 400.522 5.281 0 1 HKAF C[C@H]1c2ccccc2N(Cc2ccccc2F)C[C@@H](C)N1C(=O)Nc1cccnc1 1772613857 CGFZKQYHBPQWQB-MSOLQXFVSA-N 404.489 5.225 0 1 HKAF Clc1ccc(-c2cc(-c3c[nH]c4ccccc34)nc(-c3c[nH]c4ccccc34)c2)cc1 1772622265 PYQQDHPVAJQETF-UHFFFAOYSA-N 419.915 7.699 0 1 HKAF CC=C(CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)CCC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356340713 WBYFDFJWHRNSJD-WNGQLEDDSA-N 412.702 7.945 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)CCC[C@]4(C)[C@H]3CC[C@]12C 2356517232 BPZOUHWJXJNACU-IUMWASOSSA-N 400.735 8.990 0 1 HKAF CC(=CCCc1coc(Cc2ccoc2)c1)CCC[C@H](C)C[C@H]1OC(=O)C(C)=C1O 2356566528 KXCGKQKQHXCUKP-FDDCHVKYSA-N 412.526 6.296 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356663862 YECJZKKYJKAQCL-KMPWANGRSA-N 414.718 8.169 0 1 HKAF CC(C)=CC(=O)OC=C[C@@H]1c2cc(C)oc2[C@@]2(O)COC(C)(C)[C@H]3CC[C@@]1(C)C[C@H]32 2356711591 HHCQPXDZMHHIQI-TZLNSBNCSA-N 414.542 5.127 0 1 HKAF CO[C@@H]1OC(=O)C2=CC[C@@H]3[C@](C)(CC[C@H]4[C@]3(C)CC[C@H]3C(C)(C)CCC[C@]34C)[C@@H]21 2356846242 OLOLYAQBLACKEO-CAWGQPFNSA-N 400.603 6.127 0 1 HKAF CCc1nc2c(OCCC3CCCCC3)cccn2c1N(C)C(=O)c1ccc(C)cc1 61926528 PXXVXWIZRGZWCP-UHFFFAOYSA-N 419.569 5.831 0 3 HKAF CC1CCC2(CC1)CCN(CCCOC(=O)Nc1cccc(C(F)(F)F)c1)C2=O 96019357 LOTWYVGZZGDQDG-UHFFFAOYSA-N 412.452 5.073 0 3 HKAF CN(CCCCN(C)CCc1ccc(Cl)c(Cl)c1)CCCCN1CCCC1 6010393 MQTLLDWVOYZIBC-UHFFFAOYSA-N 414.465 5.056 0 1 HKAF COc1c(-c2ccc(OC)c3c(O)cc(C)cc23)c(O)cc2c1[C@@H](C)N(C)[C@H](C)C2 13359101 UGEJDUMBFTVARC-HUUCEWRRSA-N 407.510 5.181 0 1 HKAF biogenic C[C@H](CC(=O)O)[C@]1(C)CC=C2C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 26845211 DNSLKYSOTQONTJ-YIRZYEGMSA-N 400.603 5.983 0 1 HKAF biogenic CC(=O)O[C@H]1/C=C(\C)CC[C@@H]2OC(=N)S[C@@]2(C)CC[C@@H](C(C)C)/C=C/[C@@](C)(O)C1 29042279 DETHKBIMUIMKST-CQNCRFBESA-N 423.619 5.233 0 1 HKAF C[C@@H](c1ccccc1)c1cccc([C@@H](C)CN2CCCC[C@@H]2CC2CCCCC2)c1 29406975 OREMYNOLMRLGSV-NDIVSWGXSA-N 403.654 7.767 0 1 HKAF O=C(Nc1sc(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2s1 35271781 CRMSIFOODPBIRE-UHFFFAOYSA-N 413.527 6.339 0 1 HKAF O=[N+]([O-])c1ccc(NC(=S)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 58954309 BSLRABCNQYOBKK-UHFFFAOYSA-N 406.492 5.680 0 1 HKAF Cc1cc[n+](CCCCc2ccc(CCCC[n+]3ccc(C)c(C)c3)cc2)cc1C 71295989 GIXYZNWXYGHQAQ-UHFFFAOYSA-N 402.626 5.541 0 1 HKAF O=C(NCc1cccnc1)c1ccc(N(Cc2ccccc2Cl)CC2CC2)cc1 72107830 KGEKODJXZPXKQF-UHFFFAOYSA-N 405.929 5.082 0 1 HKAF CCCC[C@H](CC)CNc1nc(N2CCC(C)CC2)nc2cc(OC)c(OC)cc12 82127439 QBUFCFFYNVLKMP-SFHVURJKSA-N 414.594 5.512 0 1 HKAF Oc1ccc2c(c1)CCc1ccc(O)c(c1)Oc1ccc(cc1)CCc1cccc(c1)O2 84711992 CAERJCHUDDRZHL-UHFFFAOYSA-N 424.496 6.566 0 1 HKAF CCN(CC)C(=O)[C@@H]1Sc2cc(OC)ccc2-c2c1c1ccccc1n2CCF 96909194 HFQUWZYJKYAJBG-JOCHJYFZSA-N 412.530 5.302 0 1 HKAF COc1ccc([C@@]23Cc4ccccc4[C@H](O2)c2c(cc(-c4ccccc4)oc2=O)O3)cc1 102867090 XKFOKEDGBLGUGQ-AHKZPQOWSA-N 424.452 5.223 0 1 HKAF CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc3ccccc23)C2=C(O)CCCC2=N1 104033404 WJDHIQCATFXWDG-DEOSSOPVSA-N 401.506 6.134 0 1 HKAF O[C@@H]1CC[C@@H](c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)C1 139147136 XIDKCIBKXWPXKX-NVXWUHKLSA-N 403.507 5.856 0 1 HKAF CC(=O)N[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(c5cccnc5)=CC[C@H]4[C@@H]3CC[C@@H]2[C@H]1C 141118004 SAZDFZFCNCTGDS-CPIRMQQDSA-N 406.614 5.868 0 1 HKAF CC1=C(c2nc(-c3ccc4ccccc4c3)cs2)[C@@H](c2cccc(O)c2)NC(=O)N1 145360915 YXOPOWOUMIWZQI-JOCHJYFZSA-N 413.502 5.454 0 1 HKAF COc1ccnc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-c2ccccc2)c1 167388873 JHDAZDIJSXFJGK-OAQYLSRUSA-N 402.494 5.020 0 1 HKAF COc1ccc([C@@H]2CC(=O)[C@@H](c3ccccc3)[C@@H](c3ccc(OC)cc3)N2C#N)cc1 169290536 NIWJUDBSUARHMP-SKBVVQJISA-N 412.489 5.026 0 1 HKAF CCCCNC[C@H](O)c1cc(-c2cccc(C(F)(F)F)c2)nc(C(F)(F)F)c1 169336880 QPOPXUKVVNDYPU-INIZCTEOSA-N 406.370 5.209 0 1 HKAF O=C(O)c1cccc(-c2ccc3cccc(CNc4nc5ccccc5s4)c3c2)n1 169349180 QSUUQSOMEZWTBA-UHFFFAOYSA-N 411.486 5.822 0 1 HKAF C[C@@H](CN1CCCC[C@H]1C1CCCCC1)c1cccc(C(=O)c2cccc(Cl)c2)c1 253634982 RAPYNFSWBKJBOC-FNZWTVRRSA-N 424.028 7.109 0 1 HKAF C[C@H](O)[C@@H](C)C/C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 255272392 UXZPNUUPUOEZMX-YSIUCFSESA-N 412.658 6.734 0 1 HKAF CN[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 299848408 ORPDGDBKUOHGBE-GXISEIBGSA-N 401.723 7.696 0 1 HKAF CN(C)c1ccc([C@H](O)c2cc(C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)cc1 299869029 TUAAGYJQXNAHTB-WCJPBEPHSA-N 412.577 5.850 0 1 HKAF O=C1CCC[C@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CC1 586884998 UMROMUJSYCBQFJ-HNNXBMFYSA-N 413.315 5.521 0 1 HKAF CCCCCOc1cc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586885533 VVIAZURGRDUMPV-LMGVVVSRSA-N 417.391 6.362 0 1 HKAF Cc1cc2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2c(C)n1 587001401 XOOBDUCTDMAOIR-UHFFFAOYSA-N 408.303 5.011 0 1 HKAF c1ccc(-c2csc(Nc3cccc(-c4nc5cc6ccccc6cc5[nH]4)c3)n2)nc1 587022301 WVPKJCLFTYALMO-UHFFFAOYSA-N 419.513 6.645 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(Cl)cc3[nH]1)N2 587032972 WQUICCHKFUHXLQ-IXIHQHOXSA-N 404.948 5.343 0 1 HKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c2)cc1 587067513 DVYUFHZBTNIDLY-UHFFFAOYSA-N 406.869 5.204 0 1 HKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587068499 BUQAUOHEPVADIE-MRXNPFEDSA-N 404.897 6.172 0 1 HKAF Fc1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c(F)c1F 587068974 AQVZBGUGJFAHDK-FOWTUZBSSA-N 412.842 6.807 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 587070166 GNHVSGSUTSSPAU-MYCJBJPASA-N 419.283 6.073 0 1 HKAF FC(F)(F)c1ccc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(C(F)(F)F)c1 587094642 GDKUSRVGQPKMHL-UHFFFAOYSA-N 422.328 7.060 0 1 HKAF Cc1nc(-c2ccc(F)cc2)oc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103370 GEMAVGIIKWJFSV-UHFFFAOYSA-N 406.416 6.216 0 1 HKAF FC(F)(F)c1ccc2ncc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)cc2c1 587111690 GZGVOPXHJDARKA-UHFFFAOYSA-N 419.406 6.376 0 1 HKAF FC(F)(F)Oc1cccc(CSCc2nc3cc(Cl)c(Cl)nc3[nH]2)c1 587126642 ZKOAPCVCZANUDU-UHFFFAOYSA-N 408.232 5.597 0 1 HKAF C[C@H](c1nc2cc(Cl)c(Cl)nc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128912 FOKFTSUFWYXGDD-GSVOUGTGSA-N 416.593 5.599 0 1 HKAF Fc1ccc(S)cc1-c1nc2cc(Br)c(Br)cc2[nH]1 587141336 PLRCSCIXJWYRIN-UHFFFAOYSA-N 402.086 5.183 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)c1 587159245 VGRUUYUEPDDKPT-UHFFFAOYSA-N 402.256 5.670 0 1 HKAF FC(F)(F)c1cccc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 587182369 IUOFRHFIBAABQL-UHFFFAOYSA-N 422.575 5.507 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCOc3cc(Cl)ccc32)[C@@H]1c1ccc(F)cc1 587331421 PNTOLODQDBMIEO-ISKFKSNPSA-N 424.855 5.612 0 1 HKAF C[C@@]1(CC23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349970 CYXONGCMJUQSER-QRMIABIZSA-N 420.524 6.255 0 1 HKAF COc1cccc(-c2cc(-c3c(N)cc(F)cc3F)nc3c2oc2ccccc23)c1 587360930 UUEJYENYOHADHG-UHFFFAOYSA-N 402.400 6.184 0 1 HKAF COc1cc2c3c(c1)O[C@](Cc1ccc(F)cc1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587428794 PQLUBUFAJKNWLB-GBXCKJPGSA-N 408.856 5.373 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1c1ccc(C(F)(F)F)cc1)CC2=O 587464083 IDTKRXDLLJEVJX-AVRDEDQJSA-N 404.428 6.035 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc3c1cnn3[C@H]1CCCCO1)CC2=O 587474573 GDJJHQBPNCOMJO-XZOQPEGZSA-N 406.482 5.100 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccc(C)cc1)(c1ccc(C)cc1)CC2=O 587490702 UCUWJUCEPLEEFM-HHHXNRCGSA-N 400.518 6.065 0 1 HKAF COC(=O)C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587510653 WXLZQHWBEXLGRZ-QFIPXVFZSA-N 418.411 5.008 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(O)c(Cl)c1 587541507 FIJMTBDIMUALBC-OXJNMPFZSA-N 403.217 5.108 0 1 HKAF COc1cc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1 587543543 KTMTYYIHUDVOCT-NQIIRXRSSA-N 417.244 5.411 0 1 HKAF COc1ccc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 587599260 DNXTWEHGHFLBFF-BVAGGSTKSA-N 412.441 5.431 0 1 HKAF Cc1ccc(C)c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587600276 AKINFZWPDPWKJS-LSYYVWMOSA-N 422.480 5.914 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccccc2)s1 587609002 AWRGZGVMDOAOOE-UGKGYDQZSA-N 401.443 5.219 0 1 HKAF CCc1c(-c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[nH]c2ccc([C@@H](C)CC)cc12 587638940 KFVBRHGUHGIQDO-NSHDSACASA-N 411.760 6.792 0 1 HKAF Cc1ccc(Br)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587678542 OAIXQOXQOWKOHB-DYZYQPBXSA-N 413.128 5.283 0 1 HKAF CC(C)[C@@]1(CCc2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587703720 ZKSCVVQPUHMUAG-LHSJRXKWSA-N 424.785 6.260 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccco2)N1 587729784 DKNJQJFDVIMTEK-YUNKPMOVSA-N 404.254 5.146 0 1 HKAF C[C@@H](C[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)c1cn(C)c2ccccc12 587759798 VPMFRHSESMEABN-IQUTYRLHSA-N 415.350 5.849 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCN(Cc3ccccc3)CC2)N1 587766141 FQKDMJLCCJSPBJ-NYHFZMIOSA-N 417.366 5.076 0 1 HKAF Cc1ccccc1[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587816326 WMGZFBZOUPBTIF-WAIKUNEKSA-N 410.330 5.723 0 1 HKAF Cc1cccc([C@@H]2CC(=O)C[C@]3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)c1 587816844 DZIVVPUBJKYNJA-SRVWHDFXSA-N 416.334 5.163 0 1 HKAF CC(C)(C)c1ccc(Nc2ncccc2-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 587922413 PAWLAVZXLSPDFO-UHFFFAOYSA-N 421.516 7.191 0 1 HKAF CN(C)c1cccc(Oc2ccc(-c3nc(-c4cc(F)ccc4F)cs3)cc2)c1 587922476 SPYGQYYWTOAPGV-UHFFFAOYSA-N 408.473 6.614 0 1 HKAF CC(C)c1ccc(-c2cc(O)n(NCc3ccccc3Br)c2O)cc1 587941307 RQXYIJMABJMQIO-UHFFFAOYSA-N 401.304 5.196 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2cc(F)c(F)c(F)c2)n1 653681051 VDXPKGOCQTTYDS-ZDUSSCGKSA-N 423.442 5.443 0 1 HKAF CNc1nc(SCC(=O)c2cccc(OC)c2)nc2sc3c(c12)[C@@H](C)CCC3 958066017 QLAOZBRRRHCIKY-LBPRGKRZSA-N 413.568 5.156 0 1 HKAF COc1ccc2c(c1)[C@@](C)(c1cc(F)c(Br)cc1F)N(C(C)C)CC2 962092891 NWNNJIOIECCVON-FQEVSTJZSA-N 410.302 5.266 0 1 HKAF COc1ccc2c(c1OC)[C@@](C)(c1cc(Cl)cc(Br)c1)N(C)[C@@H](C)C2 962561536 DARYFOQWFKZLKU-FKIZINRSSA-N 424.766 5.260 0 1 HKAF CSc1ccc([C@]2(C3CCC3)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962714916 RVUPWJLWFZGOPS-YADARESESA-N 413.627 5.955 0 1 HKAF Clc1cc(Cl)c2c(c1)[C@@H](c1ccc3ccc(-c4ccccc4)nc3c1)NCC2 963110822 QGYPHPIVVUUMTE-XMMPIXPASA-N 405.328 6.444 0 1 HKAF Oc1ccc2c(c1)[C@@](CCc1ccc(F)cc1)(c1ccccc1C(F)(F)F)NCC2 963341996 PWIKKYJRPHQNAR-HSZRJFAPSA-N 415.430 5.572 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)NC2(/C=C/c1ccccc1)/C=C/c1ccccc1 963634120 JMLQOIRDZXYCPT-UUBDCECBSA-N 411.545 5.860 0 1 HKAF COc1ccc(-c2ccccc2C(F)(F)F)cc1[C@H](CC(=O)O)c1ncc(C)s1 1772617591 ISHYMZRLXRCNKT-INIZCTEOSA-N 421.440 5.753 0 1 HKAF Cc1cccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1 1772623078 XEALUAITBGZBLD-MXVIHJGJSA-N 411.498 5.177 0 1 HKAF Cc1noc(C)c1-c1ccc(-n2ncc3ccc(-c4c(C)noc4C)cc32)c(Cl)c1 1857605696 GSJLSYOMLJPXTP-UHFFFAOYSA-N 418.884 6.223 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)/C=C/CCCSc1nc2ccccc2o1 1857774986 UJGAHUXWIDAMFY-GIDUJCDVSA-N 422.594 7.142 0 1 HKAF COc1ccc(CC[C@@H]2C[C@H](c3ccc(OC)cc3)Oc3cc(OC)ccc32)cc1 2356284351 YBTNREBQAFMKBX-CJFMBICVSA-N 404.506 5.953 0 1 HKAF CC1=C[C@H](CNC(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356286193 YYOWGXAMKLYXFY-VWPQPMDRSA-N 419.544 5.529 0 1 HKAF CC(C)=CCC=C(C)[C@@H]1CC[C@](C)(O)[C@@H]1Cc1c(O)c(Cl)c(C)c(C=O)c1O 2356324341 QIUWFFMCYFLNHN-QUZZAMIASA-N 406.950 5.494 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCc1ccoc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c1noc(-c2cccc3ccccc23)c1C(=O)NCCOc1ccccc1 2483495 JBCNCRAADFSXRI-UHFFFAOYSA-N 414.505 5.601 0 1 HKAF CC(=O)[C@]12CCCC[C@@H]1C[C@@H]1[C@@H]3C[C@H](C)[C@@]4(O)CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 4006751 YYJQALYDDZZWSF-ZKBXNVLXSA-N 400.603 5.335 0 1 HKAF CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl 4207468 XMJUWLUFBVQBQO-MJGOQNOKSA-N 409.288 5.141 0 1 HKAF COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)OC)cc2)cc1 13557930 KIHYCVCSKZMQGB-UHFFFAOYSA-N 418.493 5.081 0 1 HKAF CCCCCn1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(=O)c2ccccc21 13678319 XWAMKQOUIYTFGS-UHFFFAOYSA-N 410.517 6.111 0 1 HKAF Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCCCC3)o1)C(C)(C)CCC2(C)C 13860608 MOQCWUPHRURMHB-UHFFFAOYSA-N 421.625 6.838 0 1 HKAF CC(C)=CCc1cc(-c2oc3c(CC=C(C)C)c(O)ccc3c2C=O)c(O)cc1O 15204421 GBTONDTVKHYEIR-UHFFFAOYSA-N 406.478 6.047 0 1 HKAF biogenic Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)c(C(=O)O)n2C1CCCC1 26276352 FPIOJWKCVYGQDH-UHFFFAOYSA-N 414.465 5.286 0 1 HKAF CCOP(=O)(OCC)[C@@H](CCCCCOc1ccc(OC)cc1Cl)C(C)=O 27750472 PEEDSHQHQPWGTI-IBGZPJMESA-N 420.870 5.512 0 1 HKAF C/C=C/c1cc(=O)oc2c(CCC)c(OCc3ccc(C(=O)O)cc3OC)ccc12 27897135 STGVYIUCXYJOMF-GQCTYLIASA-N 408.450 5.064 0 1 HKAF C[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)c(Cl)c1Cl 28820607 PEHKKHCUXWCIQC-SNVBAGLBSA-N 417.745 5.038 0 1 HKAF COc1cccc(CCNCc2ccc(-c3cccc(CNC4CCCC4)c3)cc2)c1 45190282 MUUZXSOSDACANM-UHFFFAOYSA-N 414.593 5.727 0 1 HKAF O[C@H](CNc1ccnc(Nc2cccc(Cl)c2)n1)c1cccc(C(F)(F)F)c1 45319295 BLRYLEYWHVZUJE-MRXNPFEDSA-N 408.811 5.038 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4ccc(CN5CCC[C@@H](N)C5)cc4)s3)nc12 45324019 UYPSVJHMWCVEIG-LJQANCHMSA-N 402.567 5.190 0 1 HKAF CCC(=O)c1c(C)n(-c2ncnc3c2nc(C)n3-c2ccc(C)cc2C)c2ccccc12 45337535 AWXIEPRIKNTFCV-UHFFFAOYSA-N 423.520 5.586 0 1 HKAF COc1ccccc1-c1noc(-c2ccc(-c3ccccc3C)c(C(F)(F)F)c2)n1 59240279 MQTPFYYKDPAXFU-UHFFFAOYSA-N 410.395 6.406 0 1 HKAF Cc1oc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccccc2)nc1-c1ccccc1 82162780 GFQFJCDOPCISCJ-HXUWFJFHSA-N 412.493 5.365 0 1 HKAF CCCCCc1nc(-c2cnc(N(C)CC(C)C)nc2-c2ccccc2F)oc1C 82175308 ZXNJIPBJDZRSTL-UHFFFAOYSA-N 410.537 6.071 0 1 HKAF COc1ccc([C@H]2C(c3ccc(C)cc3)=NO[C@]23CSc2ccccc2C3=O)cc1 103190449 FPNROPGTFZXYHT-WIOPSUGQSA-N 415.514 5.249 0 1 HKAF COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OC[C@@H]1CCCO1 114820891 QNPKKOXYJDZPQK-ZDUSSCGKSA-N 420.296 5.247 0 1 HKAF CCc1ccc(N[C@H](CC)c2ccc(Cl)c(C)c2)cc1CN1CC(C(=O)O)C1 118395154 NZVNEIUXDRQDQL-JOCHJYFZSA-N 400.950 5.290 0 1 HKAF CO[C@@H](C(=O)O)c1c(C)nc2ccc(Br)cc2c1-c1ccc(Cl)cc1 139090021 BNDPDYQQAJUJPY-GOSISDBHSA-N 420.690 5.398 0 1 HKAF COc1cc(N[C@@H](C)CCCN)c2nc(SCc3ccc(Cl)cc3)ccc2c1 169330198 AIJAXJGHNGZCDZ-HNNXBMFYSA-N 415.990 5.728 0 1 HKAF Oc1csc(N2N=C(c3ccc(Cl)c(Cl)c3)C[C@@H]2c2ccc(F)cc2)n1 169728216 LKXZQCKEQDMGMB-MRXNPFEDSA-N 408.285 5.650 0 1 HKAF Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(Cl)c(C(=O)O)c2)c1 211107864 XVPDSJIEDSJSRX-UHFFFAOYSA-N 407.779 5.566 0 1 HKAF Cc1ccc(Cn2cc3c(=O)n(Cc4ccc(C)cc4C)nc-3c3ccccc32)cc1 299830996 ZQHKVYUVSIPWFN-UHFFFAOYSA-N 407.517 5.325 0 1 HKAF C[C@@H]1N=C2C[C@H](c3ccccc3)CC(O)=C2[C@@H](c2ccc(Br)cc2)[C@@H]1C#N 299878882 JXDCNOOJZZUDON-GROCDAIQSA-N 421.338 5.905 0 1 HKAF Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2)sc1C 299881157 NMQDQHSYXOWFPB-MLCUKSTJSA-N 418.610 6.367 0 1 HKAF CC(C)COc1cc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586883882 MLJKBKPZSLHXCP-ZYKFEASCSA-N 403.364 5.828 0 1 HKAF CC(C)c1cc(-c2nc3ccc(I)cc3[nH]2)c(O)c(C(C)C)c1 586896129 HDBZCJKPVCBSCC-UHFFFAOYSA-N 420.294 5.787 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(O)nc4/C=C/N(C)C)nc13)-c1ccccc1C2=O 586996695 PAVHVFVNAIUSAI-OUKQBFOZSA-N 407.473 5.055 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cnc(Br)cc4[nH]3)c21 587030345 DGQJIOIPQYLESN-NSHDSACASA-N 413.344 5.679 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4nc(Br)c[nH]c-4n3)c21 587031001 NHOYYCGXJSONTC-JTQLQIEISA-N 414.332 5.026 0 1 HKAF Clc1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cc1Cl 587039446 FQFSNKRBNDUSLW-UHFFFAOYSA-N 412.345 6.715 0 1 HKAF COc1cc(/C=C/c2nc3ccc4c(c3[nH]2)CCCC4)cc(Cl)c1OCC(C)C 587046958 QEIUBSJJTVCJGF-DHZHZOJOSA-N 410.945 6.309 0 1 HKAF Fc1cnc(Br)c2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc12 587051328 SAMVPROMZWPIKC-BQBZGAKWSA-N 401.066 5.437 0 1 HKAF Clc1ccc(CN2CCC[C@@H]2c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 587077073 PGQLOSUYNFWCBU-HSZRJFAPSA-N 419.981 6.705 0 1 HKAF O=C(CCCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccc(Cl)cn1 587081584 CUKHZDNFFPWYLD-UHFFFAOYSA-N 418.202 5.369 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(Br)c(F)c3)nc3cccc1c23 587103591 KXZRUCJCWXWPIN-UHFFFAOYSA-N 404.238 6.015 0 1 HKAF Fc1ccc(F)c(SCc2cccc(-c3nc4cc5c(cc4[nH]3)OCCO5)c2)c1 587141076 KOSRTJRNFVXPJY-UHFFFAOYSA-N 410.445 5.572 0 1 HKAF CC(C)CCOc1cc2nc(/C=C/c3ccc(F)cc3F)[nH]c2cc1Br 587149176 MMCGTOKUPGMEMO-GQCTYLIASA-N 421.285 6.199 0 1 HKAF Fc1ccc(/C=C(/c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c2cccs2)cc1 587164643 UQOYOFPIUQDZLV-DHZHZOJOSA-N 424.810 5.766 0 1 HKAF C[C@H](CSc1ccc(F)cc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587170404 PZOXSVAXBMVAPV-SECBINFHSA-N 404.816 6.150 0 1 HKAF O=C(c1cccc(COc2ccc3c(c2)CCC3)c1)c1coc2ccc(Cl)cc12 587278202 IPHRTFFVTUSBJI-UHFFFAOYSA-N 402.877 6.385 0 1 HKAF CC(C)C[C@@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357872 WGXVHOOHNIYMGW-AHKZPQOWSA-N 418.508 6.308 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(c3ccc(Cl)cc3)Oc3ccc(C)cc31)O2 587380005 NRGKMGNPQPHIRT-VWLOTQADSA-N 417.892 5.833 0 1 HKAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc(C)cc1 587399019 HYEBPNMVAIOGSM-QHCPKHFHSA-N 403.478 5.180 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1cccc(OC)c1)(c1ccccc1Cl)CC2=O 587461679 LSPLOKOPWDGGAR-VWLOTQADSA-N 422.908 5.916 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccc(F)c(F)c1)(c1ccccc1)CC2=O 587465180 BSVFYFREXFNOBF-RUZDIDTESA-N 408.444 5.726 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C)cc1OCc1ccccc1)CC2=O 587484251 ZGNDXHBZWISSCA-MHZLTWQESA-N 416.517 6.113 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1SCC)CC2=O 587491681 MSVQCQZQTKGVSI-GOSISDBHSA-N 421.356 5.926 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(Br)s1)(C(C)C)CC2=O 587495120 PBNVPXOHMNLORY-IBGZPJMESA-N 409.345 5.685 0 1 HKAF C[C@]1(c2c[nH]c3cc(Br)ccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587495955 HDZFDTUZWZIQKS-JOCHJYFZSA-N 410.311 5.690 0 1 HKAF O=C(N[C@@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1)OCc1ccccc1 587514987 ZGGBXSDULUXLRN-IBVKSMDESA-N 419.521 5.138 0 1 HKAF O=C(O)CC[C@]1(c2ccc3ccccc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587528853 FLIYDMVCYGRWLS-AREMUKBSSA-N 400.474 5.444 0 1 HKAF O=C1C[C@]2(C[C@@H](c3ccccc3)Oc3cc(O)ccc32)Oc2c1ccc1c2CCCC1 587536697 VXQDXTCXLHKNGK-AHKZPQOWSA-N 412.485 5.656 0 1 HKAF Cc1cc(Cl)cc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nc12 587552372 QUZSYUAOWCVGIH-YKSBVNFPSA-N 417.848 5.605 0 1 HKAF CC(C)CCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587598386 UJYAATBFEATXEN-JYFHCDHNSA-N 418.489 5.694 0 1 HKAF Cc1cccc(-c2nc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cs2)c1 587609894 DZEHIJJJUABGCH-NFBKMPQASA-N 415.470 5.527 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1cccs1)c1cccs1 587612173 KSVFZZNHWUYTRE-NZQKXSOJSA-N 420.511 5.615 0 1 HKAF CCCCc1oc2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616417 JQRHCMXRFMQTQI-OZXSUGGESA-N 414.457 6.184 0 1 HKAF Cc1cc(Cl)cc2c([C@H]3CCCC[C@H]3C(=O)O)c(-c3ccc(Cl)cc3)[nH]c12 587624447 MJJGSTYMQFKJTD-DLBZAZTESA-N 402.321 6.809 0 1 HKAF COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2O)cc1Cl 587625709 KMTLWBZUMOYUCD-UHFFFAOYSA-N 409.713 6.240 0 1 HKAF CC(C)(C)OC(=O)N1CCC(C(=O)c2c(-c3ccccc3)[nH]c3cccc(F)c23)CC1 587636744 HDZLLBNSETZNHK-UHFFFAOYSA-N 422.500 5.804 0 1 HKAF CCOc1ccc(-c2[nH]c3ccc([C@H](C)CC)cc3c2-c2ccc(Cl)cc2)cc1 587639834 DTGCZICYXMRQCF-QGZVFWFLSA-N 403.953 8.068 0 1 HKAF Cc1ccc2sc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nc2c1C 587657576 YBCPIBVKOCIPDN-UHFFFAOYSA-N 419.456 5.557 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cc(Cl)cc2Cl)N1 587695895 SLIYSNNAWVCNSF-VGDKGRGNSA-N 423.540 6.172 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2cccs2)(C(F)(F)F)N1 587706233 PKVICXHBJCGFJN-VWHWVPMYSA-N 420.269 5.655 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2OC(F)(F)F)N1 587720818 NYJAXNVHEGJORE-DYZYQPBXSA-N 418.228 5.285 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(F)c3)nc2)N1 587733682 RSTMYDIMLHUDLJ-XUSGNXJCSA-N 415.281 5.413 0 1 HKAF COc1ccc2oc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)c2c1 587826232 DRANHBHQVFVIAE-MQJDWESPSA-N 418.306 5.449 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C3CC3)oc3ccc(O)cc23)N1 587829375 QKTXYDVEYFFPOS-WVDJIFEKSA-N 416.290 5.541 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3cccs3)s2)N1 587854089 POWLGFYYJXEBSR-JDNHERCYSA-N 409.349 5.397 0 1 HKAF COc1cc(O)cc(-c2cccc(-c3nc4c(C)c(Br)cnc4[nH]3)c2)c1 587932102 MJPUCXDXCMXDBE-UHFFFAOYSA-N 410.271 5.077 0 1 HKAF Cn1c([C@@H]2NCCc3cc(-c4ccccc4)ccc32)nc2c(Br)cccc21 962667604 PDVLJFYNEZRQNC-OAQYLSRUSA-N 418.338 5.238 0 1 HKAF Fc1cc(OC(F)(F)F)cc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c1 962719317 TUBJQQSPGDDUKY-IFXJQAMLSA-N 415.427 5.316 0 1 HKAF CCC[C@]1(c2c(C)c3ccccc3n2C)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962731921 UXRZGWBYQWBASD-CVDCTZTESA-N 414.471 5.176 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](Cc2ccccc2Cl)(c2cccs2)N1 962943246 GFCRKXFJFRMDTH-XDHUDOTRSA-N 406.982 6.293 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CC)(c2cc(Br)c(C)s2)N1 962953256 LAICRJCRRKOEGC-XCLFUZPHSA-N 403.389 5.878 0 1 HKAF Cc1cccnc1[C@]1(c2ccc(F)cc2)c2ccsc2CCN1Cc1cccnc1 962998697 PKHNVNJQLSBCGZ-VWLOTQADSA-N 415.537 5.336 0 1 HKAF COC(=O)c1ccc([C@]2(CCC(F)(F)F)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963095191 CLRAQCHDAVVYEF-SIKLNZKXSA-N 421.434 5.219 0 1 HKAF Cc1cccc(C)c1[C@]1([C@H]2CC[C@H](C(=O)O)CC2)c2ccc(F)cc2C[C@H]2CCCN21 963096213 CZLFRFNSZUCCFH-ASFHOZQWSA-N 421.556 5.598 0 1 HKAF O=C(O)c1cc(-c2ccc([C@@H]3c4c(F)cccc4C[C@@H]4CCCN43)o2)ccc1Cl 963098428 GRMYZTIVAYFUNX-OYHNWAKOSA-N 411.860 5.547 0 1 HKAF COc1cccc2c1[C@H](C)N(C(=O)Nc1cccnc1)[C@H](C)CN2Cc1ccccc1 1772578814 AIGFEVGWAQPOEK-MOPGFXCFSA-N 416.525 5.094 0 1 HKAF Clc1ccc(-c2nc3ccc(Oc4ccccc4)cn3c2CN2CCOCC2)cc1 1857653839 FLOGYLQJKBDZCD-UHFFFAOYSA-N 419.912 5.279 0 1 HKAF O=C(c1ccccc1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc(C(F)(F)F)cc1 1857741882 YLWPBSHHIXLJFZ-QHCPKHFHSA-N 420.434 5.975 0 1 HKAF CC1(C)CC(C)(C)c2cc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2O1 1857772657 FGVQKUKUDJWCEL-UHFFFAOYSA-N 408.420 6.068 0 1 HKAF CC(C)CNC(=O)C=C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C=C[C@H]1C[C@H]1C 2356387436 SZYJBOHZBFNTMP-PTSHWKNRSA-N 407.642 5.708 0 1 HKAF C[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O 2356695163 VVAOLEXIZKGWNQ-CIUYUFMGSA-N 402.619 6.063 0 1 HKAF COc1cc2c(c(C)c1C)O[C@](C)(CCC=C(C)CCC=C(C)CCC=C(C)C)CC2 2356696670 KGMRWPGSRWJUKG-GDLZYMKVSA-N 424.669 8.595 0 1 HKAF CC1=C2C[C@@]34[C@H]5CC[C@@H](C6=CCC7=C6[C@@H]3[N@]3C[C@]36CCC[C@@H]6C7)[C@@]4(C)[C@@]2(CC1)[C@@H](C)C5 2356773485 ALLKUGHSKORXDO-VUGJBAJYSA-N 413.649 6.813 0 1 HKAF COc1cc(OC)c2c(c1)O[C@@H](c1ccc(O)cc1)C[C@@H]2/C=C/c1ccc(O)cc1 13328420 PEFRTDSZTRQEAJ-YSDILOFCSA-N 404.462 5.436 0 1 HKAF COc1ccc([C@H](Cc2ccncc2)c2ccc(OC)c(OC3CCCC3)c2)cc1 13441985 QNXJEVYAPFFBLL-DEOSSOPVSA-N 403.522 5.795 0 1 HKAF CCCCCCc1ccc(OCCCCCCCCCCC(=O)NCCO)cc1O 13676036 RBYBXIHVTQUTHX-UHFFFAOYSA-N 421.622 5.513 0 1 HKAF CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Nc2cc(C)ccn2)nc1CC 28956492 QOCSJPNHPYALAG-JTHBVZDNSA-N 417.557 5.163 0 1 HKAF O[C@@H]1CC2(N3CCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)C2 40576383 RYCYJPVBNCYXDT-LXDQLMLUSA-N 416.392 5.870 0 1 HKAF NC(=S)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(OCc2ccccc2)cc1 43080562 FCLQSASNCVZGKL-QFIPXVFZSA-N 421.953 5.314 0 1 HKAF CCN(C[C@H](C)O)C(=O)c1ccc(-c2cccc(-c3nc4cccc(C)c4[nH]3)c2)cc1 45188469 LEMTZVKICHVWQC-SFHVURJKSA-N 413.521 5.048 0 1 HKAF COc1ccc(CNCc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)cc1 45191665 LHRBRPHXOQNDSI-UHFFFAOYSA-N 419.528 6.195 0 1 HKAF CCCCCCc1ncc(-c2cc3cc(O)c(-c4ccccc4)cc3oc2=O)s1 45323038 ALNVBUHEXXHOFC-UHFFFAOYSA-N 405.519 6.412 0 1 HKAF CC(C)=CCc1cc2c(cc1O)OC[C@H]1c3cc(O)c4c(c3O[C@@H]21)C=CC(C)(C)O4 59205285 RUXZLRGFTZAFJO-MBSDFSHPSA-N 406.478 5.400 0 1 HKAF biogenic Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCCC[C@H]3CC(=O)O)c1 59570219 AJDAZNXXSMAOOJ-QHCPKHFHSA-N 414.545 6.834 0 1 HKAF Cc1cc(NC(=O)Nc2ccc(NCCCc3ccccc3)cc2)c2ccccc2n1 71340731 GRGDIVZKBZHHGA-UHFFFAOYSA-N 410.521 6.232 0 1 HKAF CCN(CC)CCOc1ccc2c(c1)C(C)(C)c1oc3cc(OC)ccc3c1C2=O 71341370 AOOGMCLEQGVDGG-UHFFFAOYSA-N 407.510 5.032 0 1 HKAF CCN(CCNCc1coc(-c2ccccc2Br)n1)c1cccc(C)c1 72185014 DLXUVEKFTRJQKZ-UHFFFAOYSA-N 414.347 5.029 0 1 HKAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccc(F)cc3)n2)C1 82136391 MBBVEOQQSNMAKW-SUWCGCSTSA-N 424.564 5.074 0 1 HKAF Cc1cccc(-c2nc(N3CCCCC3)ncc2C(=O)N(CC(C)C)CC(C)C)c1 82147529 QMVRCGPLQWNVJJ-UHFFFAOYSA-N 408.590 5.197 0 1 HKAF Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3cnco3)cc2)cc1 96284082 FSWRFMXJBKPOTE-UHFFFAOYSA-N 415.497 5.777 0 1 HKAF Cc1ccc2cccc(OCc3ccc(COc4cccc5ccc(C)nc45)cc3)c2n1 103188678 SHRLRXFHSXTPJK-UHFFFAOYSA-N 420.512 6.558 0 1 HKAF C[C@H]1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)C2(CCC(c3ccccc3)(N(C)C)CC2)O1 114383730 AULHNJBHSOXPMG-HHDZUXODSA-N 419.525 5.264 0 1 HKAF Fc1cc2c(cc1-c1ccc3ncnn3c1)CNC[C@H]2c1ccc(Cl)c(Cl)c1 114508070 WNADNMZKSSOJHJ-KRWDZBQOSA-N 413.283 5.077 0 1 HKAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3ccc(-c4ccccc4)cc3CC[C@@H]21 117623440 AYDIVSRNJATBLH-OZXSUGGESA-N 407.517 5.565 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](NC(=O)C5CC5)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 141917412 HBFFUWQBSGHGOQ-FXPRSMNISA-N 418.625 6.012 0 1 HKAF [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)C(C)(C)O)c(C)c1Cl 146543805 KOEXLJLFMYQQGN-KRWDZBQOSA-N 417.296 5.827 0 1 HKAF CC(C)c1ccccc1-c1nc2c(c(NCc3ccc(-c4cccnc4)cc3)n1)CNC2 169304446 SAZGHJZILRCDKD-UHFFFAOYSA-N 421.548 5.544 0 1 HKAF C[C@H](CCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@@]21C 211577744 GLXBRGHIMATFKV-FDCDMPHRSA-N 402.663 6.504 0 1 HKAF C/C(=C/CCC(C)C)[C@H]1CC[C@H]2[C@@H]3C=C[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 238734032 HMVGKVJFUUKKDC-VIMLGLMMSA-N 412.702 7.801 0 1 HKAF Cc1ccc([C@@H]2Oc3ccccc3N(CCCCCN3[C@H](C)CCC[C@H]3C)C2=O)cc1 253642380 WKDRRRCCFURGGM-DRLORSAXSA-N 420.597 5.895 0 1 HKAF CC[C@H](/C=C\[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 256439023 JZVFJDZBLUFKCA-MJSWMOPMSA-N 412.702 7.801 0 1 HKAF O=[S@](c1cccc(C(F)(F)F)c1)c1c(O)c(-c2cccnc2)cc2ccccc12 299826107 FJWHHVPFHLETMI-GDLZYMKVSA-N 413.420 5.793 0 1 HKAF O=C(O)c1ccc(-c2cn3c(n2)[C@H](c2c(Cl)cccc2C(F)(F)F)OCC3)cc1 473097914 DJRVJMXQENJDJX-KRWDZBQOSA-N 422.790 5.040 0 1 HKAF CCc1c(-c2cccc(C(F)(F)F)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586985112 AUBUZMUNBHTRTK-UHFFFAOYSA-N 419.402 6.400 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587069200 CZSJZRXUBFNMTC-GFGAHZPSSA-N 415.324 5.960 0 1 HKAF Clc1cccc(COc2ccc(-c3nc4c(Br)cccc4[nH]3)cc2)c1 587072560 YTBCNQRKYJQJKT-UHFFFAOYSA-N 413.702 6.225 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccnc(Cl)c4[nH]3)c(Cl)cc12 587078634 XZLMNFRLHBZJPO-JTQLQIEISA-N 418.280 5.464 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1c(Br)ccc(F)c1C3 587103462 HHBFWNUCZHTVRN-UHFFFAOYSA-N 416.249 5.919 0 1 HKAF Cc1cc(Br)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1F 587137969 UYCPGCHBHUFBJE-UHFFFAOYSA-N 419.479 5.251 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4ccc(OC(C)C)cc4[nH]3)cc2F)c1 587143462 TXCKDQWNVWFSDI-UHFFFAOYSA-N 410.876 6.485 0 1 HKAF Cc1cc(Br)cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587153244 XIHOTPHUJINFKN-HXUWFJFHSA-N 410.290 5.974 0 1 HKAF C[C@]1(C2CCC(C(F)(F)F)CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326576 CIHGSGADOPEGML-JJVIWCQGSA-N 422.418 6.018 0 1 HKAF COc1cccc(-c2cc(-c3ccc(O)c4ncccc34)nc3c2oc2ccccc23)c1 587362780 KCEPTJVBKOARCB-UHFFFAOYSA-N 418.452 6.577 0 1 HKAF Cc1cccc(COc2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2F)c1 587384224 BVOFGBNUCHYTOF-VWLOTQADSA-N 405.469 5.484 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1csc(-c4ccc(C(F)(F)F)cc4)n1)[C@@H](C2)C3=O 587424158 XUBDNYAQVOXAKS-LIRRHRJNSA-N 417.408 5.326 0 1 HKAF COc1cc2c3c(c1)O[C@](CCCC(=O)c1ccccc1)(c1ccccc1)[C@@H](C2)C3=O 587444556 VGCOFNCSXGZVKM-WXVAWEFUSA-N 412.485 5.391 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(F)(F)F)c(OC)c1)CC2=O 587462736 RSVMQBXSOSWZGL-GOSISDBHSA-N 410.388 5.001 0 1 HKAF O=C1C[C@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)Oc2c1ccc1c2CCCC1 587497538 BKXFJHBKCBOHRM-XMMPIXPASA-N 423.339 7.246 0 1 HKAF COc1cc2c(cc1Br)CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587499795 VHWOTMUUPBPLMB-JOCHJYFZSA-N 413.311 5.143 0 1 HKAF CCC[C@]1(c2cn(CC(=O)O)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587515377 LTYGJVYNNYCWQT-AREMUKBSSA-N 417.505 5.266 0 1 HKAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(F)(F)F)c1 587543943 CWJAHSVWXXZNMM-RXVVDRJESA-N 416.351 5.123 0 1 HKAF CCCCCc1ccc([C@@]2(CC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587603944 SLQAJMDSVHNKSN-RPLLCQBOSA-N 416.517 6.392 0 1 HKAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1Br 587621661 ZEPLAHFJPSOJRJ-UHFFFAOYSA-N 405.093 5.545 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(Sc3ncc(CO)n3C)c2c1 587643234 SSKMDFWCRPWXNJ-AWEZNQCLSA-N 409.530 5.865 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(C2CCCC2)N1 587702198 OIKKKDYJLFRIIV-ZSEKCTLFSA-N 422.769 6.210 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C(Cl)c3ccccc3CC2)N1 587706917 SOPNKVOLDWGHKN-GIPWTMENSA-N 406.726 5.760 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccc(F)cc2)N1 587737315 XABMQFIIOKVTKA-MCMMXHMISA-N 414.293 6.018 0 1 HKAF CCCOc1c(C)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587794113 ODZUBZWTSIMINH-XOBRGWDASA-N 406.339 5.617 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3ccccc3)c2)N1 587816501 YYORQQASNWTFJL-NPMXOYFQSA-N 410.330 6.053 0 1 HKAF CCc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)oc2ccccc12 587827848 LTZPQHJREHXMCM-GTJPDFRWSA-N 402.307 5.695 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SC3CCCC3)cc2)N1 587846064 SWQXJSLFSMBWOD-ZSEKCTLFSA-N 420.391 6.247 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1cccc(OC(F)(F)F)c1 587861926 YBNRDFGSUGIIRZ-UHFFFAOYSA-N 416.321 5.524 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(-c2ccc(C)cc2)nn1 587865715 GGFHCFDFEIMDHA-UHFFFAOYSA-N 424.426 5.722 0 1 HKAF CCO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1 617988258 NQXOYMWFPGPQFY-SCDSTIRESA-N 411.310 5.450 0 1 HKAF C[C@@]1(c2ccc(-c3ccsc3)s2)c2cccc(F)c2CCN1[C@H]1CCSC1 962696456 FKVDNSMKXKQFGO-AOMKIAJQSA-N 415.624 6.243 0 1 HKAF CN1CCc2c(Br)cccc2[C@@]1(Cc1ccccc1)c1ccc(O)cc1 963269054 DVRBNVTXQFYVPD-HSZRJFAPSA-N 408.339 5.129 0 1 HKAF Cc1ccc(/C=C/[C@]2(c3ccco3)c3cccc(Br)c3CCN2C)cc1 963280792 OXVBJKUGUAVDQH-HJSOSKBTSA-N 408.339 5.795 0 1 HKAF Oc1ccc2[nH]cc([C@H]3NCCc4c3[nH]c3ccc(OCc5ccccc5)cc43)c2c1 963834046 ZVGSZDGRNKGGNU-RUZDIDTESA-N 409.489 5.169 0 1 HKAF Cc1c(C)c2ccc(OC[C@H]3CCCN(Cc4cccc(Cl)c4)C3)cc2oc1=O 1857548417 RXIMLZPVTPNPCK-IBGZPJMESA-N 411.929 5.354 0 1 HKAF Brc1cc2nc(-c3ccco3)c(-c3ccco3)nc2cc1-c1ccccc1 1857656273 GBYYVNOSDITDEU-UHFFFAOYSA-N 417.262 6.579 0 1 HKAF CC1(C)C(=O)CC[C@]2(C)C3=CC[C@]4(C)[C@@H]5CCCC(C)(C)[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@H]12 2356448937 VNCZGYRTXJCYPQ-CASAJJRMSA-N 424.713 8.377 0 1 HKAF COc1cc([C@@H]2OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]23)ccc1OC=CC(C)C 2356498977 NXUQPWMHPDPMCA-CWGXUGAXSA-N 424.493 5.048 0 1 HKAF CC(C)C[C@H](C)C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356512231 WBAMVVMXWWWSLU-WKPHBKBCSA-N 400.691 7.635 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356599099 NGLLGTNDMOTXMC-NURSIYOLSA-N 414.718 8.025 0 1 HKAF COc1cc(O)ccc1[C@H]1COc2cc(O)c(CC=C(C)CCC=C(C)C)cc2C1=O 2356639671 ZGULOOFGOGKGGG-JOCHJYFZSA-N 422.521 5.701 0 1 HKAF CCCCc1ccc(CCc2ccc(O)c(OC[C@@H](O)c3cc(C(C)C)c[nH]3)c2)o1 2356761881 KHYGFFPSTJHMTN-XMMPIXPASA-N 411.542 5.677 0 1 HKAF CC(C)CC=C[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356804822 ZLQNJYXZDDSDNV-RYEROESMSA-N 400.647 6.136 0 1 HKAF CCO[C@H](Cc1ccc(OCCC2c3ccccc3Oc3ccccc32)cc1)C(=O)O 588577 DSPWOPXVRYCAHU-RUZDIDTESA-N 418.489 5.426 0 1 HKAF O=C(O)CCCCCCCCn1cc(-c2ccccc2)c(-c2ccccc2)nc1=O 1540955 AQOVWACWKGWMMS-UHFFFAOYSA-N 404.510 5.393 0 1 HKAF Cc1ccc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3C)c2c1 3803527 KGNIGUDXLBHOOL-UHFFFAOYSA-N 403.432 6.441 0 1 HKAF CC(C)C[C@@H]1CN2C(=NC[C@@H]2C2CCCCC2)N1CCC12CC3CC(CC(C3)C1)C2 5962802 QNKXLYUZSLTESN-VEGPSYRRSA-N 411.678 5.944 0 1 HKAF C[C@H]1CC[C@@]2(NC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 8035228 XYNPYHXGMWJBLV-RQHFICKSSA-N 415.662 5.367 0 1 HKAF Cc1ccc(NC(=S)O[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 25978154 SHVBGIJQWVPGND-GOSISDBHSA-N 406.338 5.653 0 1 HKAF COc1ccc([C@@H]2[C@@H](c3ccc4ccccc4c3)CC(=O)N2c2ccc(OC)cc2)cc1 26745332 QFFHWRGGWYGYRC-IXCJQBJRSA-N 423.512 6.119 0 1 HKAF C1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2CCOc1cccc2ncccc12 28393079 CNRWYKRQNMMFHH-RPBOFIJWSA-N 406.529 6.087 0 1 HKAF CCCOc1cc2c(cc1C(=C1CC1)c1ccc(C(=O)O)cn1)C(C)(C)CCC2(C)C 28457271 BUGIRAPTMLOPME-UHFFFAOYSA-N 419.565 6.513 0 1 HKAF CCCCCCOc1ccc(C2(O)CCN(Cc3c[nH]c4ccccc34)CC2)cc1 28878330 FISUUARMPJZKMS-UHFFFAOYSA-N 406.570 5.611 0 1 HKAF CSc1nc(-c2ccnc(NC[C@H](C)c3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1 40429852 WRAPVPKBUIEDNY-INIZCTEOSA-N 418.541 6.215 0 1 HKAF O=C(Nc1ccc2ccccc2c1)c1cc(-c2cccnc2)nc2ccc(Cl)cc12 40860028 LTAVMGJPWSCBBM-UHFFFAOYSA-N 409.876 6.356 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4ccc(CN5CCC[C@H](O)C5)cc4)s3)nc12 45229523 ADUZTWXXDHDUCZ-IBGZPJMESA-N 403.551 5.224 0 1 HKAF C[C@@H](Oc1ccc2ncc(/C=C/C(=O)O)cc2c1)c1c(Cl)ccc(F)c1Cl 45372767 OTVUYUULIVACAN-HVUAZKLTSA-N 406.240 5.919 0 1 HKAF CC(C)=C(c1ccncc1)c1ccc(-c2cccc(NC(=O)OC(C)(C)C)c2)cc1 53243383 VFRVUIXCPWWWII-UHFFFAOYSA-N 400.522 6.937 0 1 HKAF CC[C@@H](Cc1ccc(F)c(C(=O)NCc2ccc(Oc3ccccc3)cc2)c1)C(=O)O 58582961 WJZFEXNAKYISTF-IBGZPJMESA-N 421.468 5.201 0 1 HKAF CCCCOC(=O)Nc1ccc2c(c1)[C@](C)(c1ccccc1)CC(C)(C)N2C(C)=O 59084457 OFWGBZCYRKFABH-VWLOTQADSA-N 408.542 5.876 0 1 HKAF CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccc(-c2ccccc2)cc1 64512398 GZDIRDYOBJNXCF-UHFFFAOYSA-N 421.953 5.948 0 1 HKAF Brc1ccc(CCNCc2cc3ccccc3nc2-c2ccsc2)cc1 64549111 MZAWFPXCLQLZDG-UHFFFAOYSA-N 423.379 6.058 0 1 HKAF Clc1ccc([C@@H]2C[C@H]3CC[C@H](S3)[C@H]2c2cc(-c3ccccc3)no2)cc1Cl 66111524 KWPJGSRDVFKINU-LYZACZEUSA-N 416.373 7.184 0 1 HKAF Cc1cccc(-c2nc(NCC3CCCCC3)ncc2C(=O)N[C@H]2CCCC[C@H]2C)c1 82145118 MTLAQRVEAZOBKG-XXBNENTESA-N 420.601 5.753 0 1 HKAF Oc1ccc2c(c1)[C@]13CCN(CC4CCCC4)[C@H](C2)[C@@H]1Cc1cc2ccccc2nc1C3 82150486 YJJLLHJSPMLHJN-RFYMFKDESA-N 424.588 5.414 0 1 HKAF COc1cc(-c2nc(C3CCC3)n3ccnc(N)c23)c(C)cc1Oc1ccccc1 96168121 WTCGNLPJDADRFZ-UHFFFAOYSA-N 400.482 5.355 0 1 HKAF Brc1cccc(Sc2ncccc2OCCCCc2cccnc2)c1 96914163 KYLGDDJMULRWOB-UHFFFAOYSA-N 415.356 5.792 0 1 HKAF Oc1ccc([C@@H]2N=C(N3N=C(c4ccccc4)C[C@H]3c3c(F)cccc3F)S2)cc1 98082631 AJXXHHMPMWUKID-RBBKRZOGSA-N 421.472 5.623 0 1 HKAF CCCN[C@H]1C[C@H]2C[C@@](c3cccc(O)c3)(C1)[C@H](C)CN2CCCc1ccccc1 103292759 VVCJNYSYOPCZJJ-BQXMOOCUSA-N 406.614 5.135 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118937339 WOVIRZFRRNEFES-AFDMBCEJSA-N 414.718 8.313 0 1 HKAF endogenous,in-man C/C=C(\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)(C)C 152924679 QKWKXWPDGRSAGC-NIULPEMFSA-N 424.713 8.111 0 1 HKAF Cc1cc(C)c2nc(Nc3ccc(Cl)cc3)cc([C@H](O)C[C@H]3CCCCN3)c2c1 169334717 XIFOSPUAUSCZBL-DENIHFKCSA-N 409.961 5.814 0 1 HKAF C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(NC(=O)c5ccc(F)cc5)[C@H]4CC[C@]3(CC1=O)C2 299861442 LKHLAGQBXLCWQO-DCWXTMKTSA-N 411.561 5.680 0 1 HKAF Cc1nn2c(-c3nc4cc(Cl)ccc4[nH]3)c(-c3ccc(Cl)cc3)nc2s1 299864445 RGDOXFZEGKJFLK-UHFFFAOYSA-N 400.294 5.616 0 1 HKAF Oc1c(-c2ccccc2)cccc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586897149 SECWLJPWBHTPQL-UHFFFAOYSA-N 419.509 6.879 0 1 HKAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(C)c(F)cc4[nH]3)c(=O)oc2c1C 586918736 RIDQYLKLHZFYJC-UHFFFAOYSA-N 420.484 5.669 0 1 HKAF C[C@H](SCc1ccccc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586962349 DGPFSINWPWDQLL-JTQLQIEISA-N 404.379 6.595 0 1 HKAF CC(C)(C)c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2n1 586984924 QIAYBJSIWNOCFC-GOSISDBHSA-N 413.363 5.203 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(OCC(F)(F)F)cc4)nc13)-c1ccccc1C2=O 586993639 PEWUAAPOAQCNEN-UHFFFAOYSA-N 419.402 6.363 0 1 HKAF COc1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cc1Cl 587001219 MDNYFSBVFHDZMJ-UHFFFAOYSA-N 417.690 5.720 0 1 HKAF Cc1ccc(-c2nc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c(C)s2)cc1 587013127 IERIEHRSRIBFAG-UHFFFAOYSA-N 420.282 6.011 0 1 HKAF COc1cc(/C=C/c2nc3ccc(C(C)(C)C)cc3[nH]2)cc(Cl)c1OCC(C)C 587046712 KMVHUUAUQFHJAH-JXMROGBWSA-N 412.961 6.728 0 1 HKAF O=C(O)c1cc(F)cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c12 587048418 AVDSWMYMGVHAKK-UHFFFAOYSA-N 416.839 6.541 0 1 HKAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587050829 MOWFKPMPIGZITO-UHFFFAOYSA-N 419.912 6.057 0 1 HKAF Cc1cnc(Cl)c2[nH]c(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc12 587060817 NEEPOUVLGLITJC-UHFFFAOYSA-N 405.288 6.455 0 1 HKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587069842 LGYJWQPIFIFRCI-QMMMGPOBSA-N 413.649 5.634 0 1 HKAF CS(=O)(=O)c1ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2c1 587072451 XCGNPWSSHZHBRK-UHFFFAOYSA-N 418.305 5.002 0 1 HKAF CCC[C@@H](OC)c1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587097527 QGSYYHYOUDSEEZ-RUZDIDTESA-N 407.513 6.909 0 1 HKAF Fc1ccc2[nH]cc(Cc3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2c1 587174051 DQRYGGYLLHKVBW-UHFFFAOYSA-N 412.184 5.555 0 1 HKAF Fc1c(Cl)cc2nc(/C=C/c3cccc(I)c3)[nH]c2c1F 587183965 MJQGTRVBDBJNLY-SNAWJCMRSA-N 416.596 5.270 0 1 HKAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 587197929 BHAGFUXFIQPJKG-UHFFFAOYSA-N 411.292 5.396 0 1 HKAF COc1c(C)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C 587348587 HBIDNSQYQBFSHM-RDGATRHJSA-N 406.453 5.431 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](c2ccccn2)CCC3)c1 587364658 ZIWOREBSNOKPTM-LJQANCHMSA-N 406.485 6.520 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1ccccc1Cl)[C@@H](C2)C3=O 587422227 XPPJCJMEZAJFNT-MHECFPHRSA-N 406.865 5.416 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cccc(F)c1)(c1cccc(Cl)c1)CC2=O 587468349 UOUVPZILPUPUQN-DEOSSOPVSA-N 410.872 6.046 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(C)(C)C)cc3c1CCC3(C)C)CC2=O 587488302 IVKUTRYCTQPQRW-MUUNZHRXSA-N 420.593 6.747 0 1 HKAF CC(C)(C[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O 587498609 FEMCONIFWCWEGS-DEOSSOPVSA-N 412.913 5.580 0 1 HKAF CC(C)(C)OC(=O)c1cc(F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1 587508193 SVWZMDUADISLKB-FQEVSTJZSA-N 414.448 5.505 0 1 HKAF CCOC(=O)Cc1[nH]c2ccc(F)c(Cl)c2c1-c1cc(F)c(Cl)nc1Cl 587629386 NIYFOYRJVNAITD-UHFFFAOYSA-N 419.642 5.574 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(Cl)c3)c(C(=O)c3cccc(Cl)c3)c2c1 587641627 NTSHQODBUDQOQM-HNNXBMFYSA-N 422.355 7.886 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(Cl)c(Cl)c2)N1 587694091 LDOIXGJTAHSTDX-MLCYQJTMSA-N 417.149 5.887 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(C)(C)C)(c2ccc(Cl)cc2)N1 587694934 AVSGTJUPNIKFBM-LRTDBIEQSA-N 424.785 6.456 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)cc(Cl)c2)N1 587698824 JUNXLGQTZXLMHB-XYZCENFISA-N 403.122 5.693 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1 587702127 VMBLGOGEGZVUBD-BIBXISHDSA-N 420.709 6.125 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2cccc(C(F)(F)F)c2)N1 587711507 HHVKUHLTQKTXMS-BDJLRTHQSA-N 416.256 5.815 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ncc2C(F)(F)F)N1 587717648 XLLHKIXSZYUZQQ-MLXNANBUSA-N 423.635 5.279 0 1 HKAF Cc1ccc(Cl)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1F 587719544 PWGSXYJWUMFSKL-MLCYQJTMSA-N 400.694 5.487 0 1 HKAF CC[C@@]1(c2c(F)cc(F)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587721171 PBCMUVJXXCMLKJ-DYBLOJMWSA-N 402.229 5.193 0 1 HKAF CCCCC[C@@]1(c2ccc(N)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587748835 YUMPFTKTOWITQB-SZNDQCEHSA-N 405.355 5.529 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cccnc3)cc2)N1 587778426 NCIRJFLLZGZRCJ-LRTDBIEQSA-N 413.290 5.399 0 1 HKAF CCOc1ccc2nc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 587780232 ZCYXELIBCGVAQP-XUSGNXJCSA-N 415.306 5.159 0 1 HKAF COc1ccc([C@]2(CCC(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587808702 OGMWBNYIUBPVIO-QRQCRPRQSA-N 420.366 5.811 0 1 HKAF Cc1c(C)c(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C 587816233 VNSFPDWTMYMCKC-SAHAZLINSA-N 404.367 5.928 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H]2C[C@@H]3C=C[C@H]2C3)N1 587821222 TZJDUWGPHISWKJ-LLZQZCDZSA-N 412.346 5.578 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CC=C(CCCC(C)(C)O)CC2)N1 587824517 BYPZPPWOJSESEY-NVAPDCRFSA-N 424.398 5.831 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccccc3)cs2)N1 587846877 JCQFMRWPBNQXJQ-MPBGBICISA-N 402.332 5.940 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(Cl)cs1 587866679 JGCBXQJJBFBBFY-UHFFFAOYSA-N 400.809 5.371 0 1 HKAF O=C(c1ccc(COCC(F)(F)C(F)F)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587874347 WHNKLFWFQZAENM-UHFFFAOYSA-N 424.325 4.900 0 1 HKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587952635 UYXZFLVTZBWTLB-MJVIPROJSA-N 419.285 6.391 0 1 HKAF c1coc(CN2CCc3sccc3[C@@]23CCCOc2c3ccc3ccccc23)c1 962712852 WEXVKKBCMFPGAQ-RUZDIDTESA-N 401.531 5.969 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1cccn1-c1cc(Cl)cc(Cl)c1 963115820 XPVNEBNTNUKWIW-AVRDEDQJSA-N 401.312 6.033 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC)c1ccc(Cl)c(Br)c1 963243911 UFSKUFNCOZSGIR-QVKFZJNVSA-N 406.795 6.413 0 1 HKAF CC(C)=CCOc1ccc(-c2cnc(-c3ccc(CN4CCCCC4)cn3)o2)cc1 1772625563 XBHVVJNGJXZDFH-UHFFFAOYSA-N 403.526 5.735 0 1 HKAF Clc1ccccc1-c1cc(-c2c[nH]c3ccccc23)nc(-c2c[nH]c3ccccc23)c1 1772632031 MDCICXSYURFUKL-UHFFFAOYSA-N 419.915 7.699 0 1 HKAF CSc1ccc(C(=O)O[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 1857570875 RITHYTFVZGFPES-GOSISDBHSA-N 407.322 5.510 0 1 HKAF COc1ccc(C(=O)Oc2cccc3ccc(-c4ccc(C(F)(F)F)cc4)nc23)cc1 1857582373 GCRVICJTDHNFLF-UHFFFAOYSA-N 423.390 6.148 0 1 HKAF CC1CCN(c2cc(-c3ccc(F)cc3)c3nc(-c4ccc(F)cc4)cn3c2)CC1 1857650358 CLGRBFHSSUCYBQ-UHFFFAOYSA-N 403.476 6.183 0 1 HKAF Cc1noc(C)c1-c1ccc(Cl)c(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1 1857653310 ZRFLBQPSZFRLNP-HNNXBMFYSA-N 413.857 5.142 0 1 HKAF CC(C)=CCC[C@]12C(=O)CC[C@H](C)[C@]1(C)CC[C@](C)(O)[C@@H]2Cc1c[nH]c2ccccc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lc1ccc(/C=C/c2nc(-c3ccccc3)cn3c2nc2ccccc23)cc1Cl 5596393 WPFRNRABZXQVMG-ACCUITESSA-N 416.311 7.027 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(C)n2c(=O)[nH]c3cccc(c1=O)c32 13374286 CQZZUPSXBXLXRM-CFBAGHHKSA-N 404.554 5.849 0 1 HKAF CC(C)c1ccc(C2=C(C(=O)O)[C@H](c3ccc4c(c3)OCO4)Oc3ccccc32)cc1 13473356 VQPKQBMUTVZRRZ-VWLOTQADSA-N 414.457 5.559 0 1 HKAF CCOc1cc2ncnc(Nc3cccc(-c4csc(NC)n4)c3)c2cc1OCC 13490778 HLIUJAVSRUBDBP-UHFFFAOYSA-N 421.526 5.336 0 1 HKAF Cc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccccc3)c(=O)o2)cc1 13581300 LRANBAYKACDWTK-UHFFFAOYSA-N 416.498 5.353 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(Cl)c(Cl)c1)Oc1ccccc1-3 13777117 GAUXDXUKQPFNPK-DEOSSOPVSA-N 422.355 7.750 0 1 HKAF COc1cc(OC)c2c3c1-c1c(O)cccc1[C@@H]1Oc4ccccc4[C@@H](C[C@@H]2OC)[C@@H]31 14617096 OWJHYRVSZGKVKA-XRDSMRAYSA-N 416.473 5.482 0 1 HKAF COc1cccc(CN2CCN(Cc3ccc(F)cc3)[C@@H]2c2ccc(SC)cc2)c1 19326599 UKIXBWQATLRVTQ-VWLOTQADSA-N 422.569 5.573 0 1 HKAF CC(C)(C)CCN(Cc1cccs1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 26392776 BFDOHKWINMOKDM-UHFFFAOYSA-N 419.805 7.179 0 1 HKAF C[C@@H](C(=O)OCCc1ccccn1)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27559978 MSITXWHXNVQEKN-POAQFYNOSA-N 409.551 5.066 0 1 HKAF NCC1CCC(CNc2nc(Nc3cccc(Cl)c3)ncc2C(F)(F)F)CC1 28898342 VPIUEXVYBNHQDD-UHFFFAOYSA-N 413.875 5.069 0 1 HKAF CCCCCCN1CC[C@H](CC[C@H](O)c2ccnc3ccc(OC)cc23)[C@H](CC)C1 33969478 XIOSYABBIYIWTR-SWYRRKHMSA-N 412.618 5.985 0 1 HKAF COc1cc(O)cc2c1-c1c(O)cc(cc1O)CCCCCCC/C=C\CCCCC2 38359638 ZYGGJLPOXFHXPT-HYXAFXHYSA-N 424.581 7.035 0 1 HKAF CCc1nc(-c2ccc(OC(F)(F)F)cc2OC)c(OC)nc1NC(CC)CC 38467746 YFIPDLXBDOAVAO-UHFFFAOYSA-N 413.440 5.222 0 1 HKAF O=C(CCCCc1ccc2c(c1)OCO2)Nc1ccc(C(=O)Nc2ccccc2)cc1 40847421 WTQJQSSNRYHSJT-UHFFFAOYSA-N 416.477 5.019 0 1 HKAF CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 64637957 YRMCFJGHPHQPOE-KRWDZBQOSA-N 406.404 5.010 0 1 HKAF CCC(CC)C(=O)Nc1cc(-c2ccc(OC)cc2)nc(-c2ccc(OC)cc2)n1 66099723 LAXAOSDHMUKOSR-UHFFFAOYSA-N 405.498 5.203 0 1 HKAF O=C(NC1CC1)[C@H](C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2ccccc21 66258469 DTISPNQDEGGOEE-QFIPXVFZSA-N 407.945 5.757 0 1 HKAF COc1ccccc1Sc1cc2ccccc2[n+](CCCCCc2ccccc2)c1 71296242 MYQKWKYSQCZRQQ-UHFFFAOYSA-N 414.594 6.700 0 1 HKAF CCN(CC)CCC[C@H](C)Nc1ccnc(COc2ccc(Cl)c(Cl)c2)c1 95607692 KBWNKCKFDGRQQH-INIZCTEOSA-N 410.389 5.890 0 1 HKAF O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1ccc(-c3ccc4c(c3)OCO4)cc12 103055311 MLXPLRFBNSISMA-NFBKMPQASA-N 413.473 5.653 0 1 HKAF COC(=O)[C@@]1(C)CCC=C2[C@@H]1CC[C@@H](C)[C@]2(C)Cc1c(C)[nH]c2c(Cl)cccc12 103268453 QLGPLXQBDBCIEL-OXYAVOHVSA-N 413.989 6.624 0 1 HKAF CCC(=O)c1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(Cl)cc1Cl 141439048 HKLRBZMRJJZMRF-UHFFFAOYSA-N 408.716 6.131 0 1 HKAF Cc1cc(Cl)ccc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 225060911 ISWIIOBYRNCANQ-UHFFFAOYSA-N 415.927 5.121 0 1 HKAF O=C(O)/C=C/c1ccccc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586879005 IUGKHZQDWPCZAO-VMPITWQZSA-N 411.177 5.109 0 1 HKAF FC(F)(F)Oc1cc(Br)cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c12 586888095 WFTGLNFCQLNZBG-UGSOOPFHSA-N 423.232 5.596 0 1 HKAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 586888637 LMQCPZHTQMJHEZ-QFYYESIMSA-N 413.237 5.490 0 1 HKAF CCOc1cc(/C=C/c2nc3cc(C)c(C)cc3[nH]2)cc(Br)c1OC 586977301 FAPCASCKJWGGOG-VOTSOKGWSA-N 401.304 5.520 0 1 HKAF Cc1c(Br)cc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1C 587007052 VBNXGHARDQFZMA-UHFFFAOYSA-N 420.108 5.019 0 1 HKAF CC(C)COc1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cc1Br 587017024 RCYHOAUNKSODES-HNNXBMFYSA-N 422.348 5.335 0 1 HKAF CCCCOc1cc2[nH]c(C(=O)Nc3ccccc3Cl)nc2cc1Br 587061029 ZOHDEZQFPOBCOH-UHFFFAOYSA-N 422.710 5.410 0 1 HKAF Nc1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1N 587063997 IFQGJMPJHGGAIF-UHFFFAOYSA-N 417.900 5.081 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC[C@]1(CCc3ccccc31)C4)-c1ccccc1C2=O 587102132 YQLYKFLLUHELCV-GDLZYMKVSA-N 401.509 6.128 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(Br)nc3[nH]2)cc1F 587150536 LQRCUMZSXCZRCY-KRWDZBQOSA-N 416.225 5.167 0 1 HKAF Cc1cc(Br)cc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc12 587158148 KMYJFIDRESPYHM-UHFFFAOYSA-N 409.258 5.919 0 1 HKAF Cc1cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2cc1F 587165815 KZFLHHCQLQPRGI-UHFFFAOYSA-N 415.447 5.487 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(C)(C)C 587207022 ZPGRYKBGHBIMFW-AWEZNQCLSA-N 419.875 5.717 0 1 HKAF Cc1nc2cccc3c2c(c1[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2C1=O)CC3 587216513 CQVMDVGZPPAHCZ-UIOOFZCWSA-N 419.480 5.192 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 587327610 HEXNLWUEGPCWPV-LADGPHEKSA-N 408.856 5.775 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCOc3cc(F)ccc32)[C@@H]1c1ccc(F)cc1 587340305 XSRQMWHZFUIGSF-VWNXMTODSA-N 408.400 5.097 0 1 HKAF COC(=O)[C@@H](c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1)C(F)(F)F 587360961 WFUDJRKCLNSULE-GOSISDBHSA-N 415.367 5.476 0 1 HKAF CCOC(=O)[C@H]1CC[C@@H](C)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587363769 USGATXQWNLALHV-BEFAXECRSA-N 415.489 6.201 0 1 HKAF COc1cccc(-c2cc(CCc3ccc(Cl)s3)nc3c2oc2ccccc23)c1 587364907 JAIWYBJYZYBPTC-UHFFFAOYSA-N 419.933 7.157 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CS[C@@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1 587376231 PDKMJKZMIASBDL-RZUBCFFCSA-N 412.507 5.569 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1OCc1cccc(C)c1)[C@@H](C2)C3=O 587445114 WZOCAVUFKADIBB-NBGIEHNGSA-N 416.473 5.080 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc(Cl)cc3)cc1)CC2=O 587460967 JPJYPOWCGJQKAJ-QHCPKHFHSA-N 408.881 6.497 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3ccc(OCC)cc3nc1Cl)CC2=O 587461493 MVLNFYZMKSERHA-OAQYLSRUSA-N 411.885 5.652 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc(F)c(F)c3)cc1)CC2=O 587465847 HXVPHLCUBVOZDF-HSZRJFAPSA-N 410.416 6.122 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2COc2cc(F)ccc21 587471678 MBGBZRVDSGNTSU-VWLOTQADSA-N 404.437 5.285 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1nc(-c3ccc4ccccc4c3)cs1)CC2=O 587497630 XLLRHHDTFSLJJA-QHCPKHFHSA-N 415.514 6.328 0 1 HKAF COc1cc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)ccc1F 587502167 CTASOCNIBDXVTM-DEOSSOPVSA-N 402.465 6.087 0 1 HKAF O=C1C[C@@H](c2cc3ccccc3nc2N2CCCCC2)Oc2c1ccc1c2CCCC1 587514763 OSRUQGZYKZLUCG-VWLOTQADSA-N 412.533 5.810 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1ccc(C(F)(F)F)cc1 587551028 XJIHPOFSSASYIG-AZUAARDMSA-N 414.379 5.374 0 1 HKAF C[C@@]1(c2ccc3c4c(cccc24)CC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600696 BVXHALIGVPNXPA-IGKIAQTJSA-N 408.453 5.521 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)C1CCCCC1 587601409 FTWINYFBEGYGAL-SQHAQQRYSA-N 414.501 5.916 0 1 HKAF Cc1cc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587709758 NVKHYKSRESAUOD-DYZYQPBXSA-N 420.219 5.376 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)c(C(F)(F)F)c2)N1 587713114 RQAJXYDMJQXPSU-VVVCHXIZSA-N 420.219 5.544 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccccc3F)no2)N1 587729503 VRIKFVGKEZVSMK-DGIBIBHMSA-N 405.242 5.006 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ccc(F)cc3)n2)N1 587735359 PNAFVENXGKPNTN-MGNBDDOMSA-N 421.310 5.474 0 1 HKAF CCc1ccc(-c2c[nH]nc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587791490 FZAGQIPKUBGMRK-XUSGNXJCSA-N 414.322 5.164 0 1 HKAF CCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC 587797504 VRGDIDGXLHAIFV-ASSNKEHSSA-N 422.338 5.399 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)[C@]1(CCC3)N[C@H](C)Cc2ccc(F)c(Br)c21 587805333 TUTTVBWTONUHME-MCMMXHMISA-N 413.334 5.492 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)CCC(C)(C)O3)N1 587830869 GHDLORKESFSIAF-ODXCJYRJSA-N 404.323 5.315 0 1 HKAF CCCCC[C@]1(c2ccc(O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587832069 JDMQDNSKZZOJER-SPLOXXLWSA-N 406.339 5.652 0 1 HKAF CC(C)[C@@]1(c2ccc(Cl)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 587848315 NRABDDRSEGHZGU-BMLIUANNSA-N 402.760 5.737 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([C@@H]3CCCCO3)s2)N1 587850274 YHCTWASZRZROSA-DQNAHFDYSA-N 410.352 5.515 0 1 HKAF CC1=CSc2ccc(Cl)cc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587855868 KJWDEFLBTRZBSF-WLRWDXFRSA-N 424.766 6.029 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3sc(C=O)cc3s2)N1 587855930 HJRQGIQFYDKMTJ-RBHXEPJQSA-N 410.333 5.301 0 1 HKAF Cc1cc(-c2ncc(CC(=O)Nc3ccc4c(c3)Cc3ccccc3-4)cc2C)ccn1 653687122 VDFLVDVEEBOXDR-UHFFFAOYSA-N 405.501 5.513 0 1 HKAF CCCC[C@]1(Cc2ccco2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962930523 VZFLLQVIBVTEBY-UKILVPOCSA-N 421.493 5.005 0 1 HKAF O=C(Nc1ccc(N2CCC(F)(F)CC2)cc1)c1ccc(CN2CCCCC2)cc1 1186933145 VQQSNDMGERPGFI-UHFFFAOYSA-N 413.512 5.160 0 1 HKAF C[C@@]1(C(=O)Nc2ccc(Cl)cc2)CCCN(C(=O)c2cccc(-c3ccco3)c2)C1 1772605522 LCGBUJHSFFZWBH-XMMPIXPASA-N 422.912 5.481 0 1 HKAF Cc1cccc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1 1857559218 DSPBTRPYPHWECP-UHFFFAOYSA-N 414.980 6.240 0 1 HKAF Cn1c(=O)n(Cc2ccccc2)c2cnc3ccc(-c4cnc5ccccc5c4)cc3c21 1857576288 BZGNFSOUHKFNOA-UHFFFAOYSA-N 416.484 5.152 0 1 HKAF CC(=O)N(CC1CCCCC1)CC1CCN(Cc2ccc(Cl)cc2Cl)CC1 1857770349 ZOZGUPWLIHMKRE-UHFFFAOYSA-N 411.417 5.634 0 1 HKAF C[C@H]1CC[C@@]2(C[C@@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@@H]3[C@H]2C)NC1 2356436125 BERPQBQZDVMCHH-MRPYEMSTSA-N 411.674 5.951 0 1 HKAF CC[C@@H](C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356476881 RWZXAVHSOHPSBG-JWAXJRHZSA-N 400.691 7.635 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356638662 NBJZGNFIZZWBOJ-YBAJBEGYSA-N 416.690 6.894 0 1 HKAF COC1=CC2=C(C(C)=N[C@H](C)C2)[C@@H](OC)[C@H]1c1c(C)cc2cccc(OC)c2c1O 2356660086 DKQZXYATHVVDTH-LBEFLKDASA-N 407.510 5.055 0 1 HKAF CC(C)=CC[C@@H]1[C@@H](C)[C@H]2CC[C@@]3(C)[C@@]2(C)CC[C@@H]2[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@]123 2356661142 YTAQVWOWAXLMJN-GSWWIPGSSA-N 410.730 9.054 0 1 HKAF c1ccc([C@@H]2CC[C@H]3[C@H]2CCC[C@H]3O[C@@H]2CCC[C@@H]3[C@H](c4ccccc4)CC[C@@H]23)cc1 2356704678 DDVDENDLNFMFHM-DRMCMZMYSA-N 414.633 7.728 0 1 HKAF CC(C)[C@@H]1CCN[C@@H]1C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](N)C=CC[C@]4(C)[C@H]3CC[C@@]21C 2356797569 OCPRMTDWHSHOAF-SILKXYPISA-N 424.717 6.329 0 1 HKAF c1ccc(OCCNc2nc(NCC3CC3)nc3cc(-c4ccccc4)sc23)cc1 61904653 CSKMTXOWMSAOQU-UHFFFAOYSA-N 416.550 5.671 0 3 HKAF CC[C@H](CO)Oc1cc(NCc2ccc(C(C)(C)C)cc2)c2ncn(C(C)C)c2c1 61948931 OXROQKXZJYKTMB-HXUWFJFHSA-N 409.574 5.677 0 3 HKAF CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1cccc2ccccc12 4153209 GRAUDNBJSQKLRC-ZCYQVOJMSA-N 416.521 5.247 0 1 HKAF COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(-c3ccccc3)cc2)cc1 13557933 AIAVUMBNBGTNIR-UHFFFAOYSA-N 422.484 5.867 0 1 HKAF CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(Cl)cc1Cl 13584778 BVCRBYAZJKJYDA-UHFFFAOYSA-N 407.345 5.413 0 1 HKAF COc1cc2cc(C(=O)CCc3cc[n+](Cc4ccsc4)cc3)sc2cc1OC 13818101 KHVCAPTWEKUUOB-UHFFFAOYSA-N 424.567 5.131 0 1 HKAF COc1ccc([C@@H]2[C@@H](CCOc3ccc4c(c3)CCC4)C(=O)N2c2ccccc2)cc1 28258492 FXBKVTCPDGIVPE-CLJLJLNGSA-N 413.517 5.357 0 1 HKAF O=C(O)C[C@H]1CCn2c1c(Sc1ccc(Cl)cc1)c1c(C3CC3)cc(F)cc12 29053643 MZGKUPAFPZOGKG-CYBMUJFWSA-N 415.917 6.424 0 1 HKAF CC/C(=C(\c1ccccc1)c1cccc(OC(C)=O)c1)c1ccc(OC(C)=O)cc1 29547555 VAMFKUKVDAGEPK-QPLCGJKRSA-N 400.474 5.906 0 1 HKAF CCC[C@H](C)CCC[C@@H](C)C(=O)C[C@H](O)[C@@H](C)C/C=C/C1=C(C)CCCC1(C)C 39162883 JSSNFOHEHRIBDT-MTBSIZOZSA-N 404.679 7.658 0 1 HKAF in-man CN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1cccc(Cl)c1 40952058 ARLMKABBSWRRSN-UHFFFAOYSA-N 420.959 6.878 0 1 HKAF Fc1ccc2nc(-c3ccc(-c4ccc(CNC[C@@H]5CCCO5)cc4)s3)[nH]c2c1 45190914 ZVPIEFZFESHTOE-SFHVURJKSA-N 407.514 5.366 0 1 HKAF Nc1c2c(nc3ccc(NC(=O)CCCCCCc4ccccc4)cc13)CCCC2 45201595 DHQWGDIHBAYPSQ-UHFFFAOYSA-N 401.554 5.828 0 1 HKAF FC(F)(F)c1cccc2c(Cl)c(-c3nnc(S)n3Cc3ccccc3)cnc12 45259286 KYQUIKAJKMNARO-UHFFFAOYSA-N 420.847 5.503 0 1 HKAF C[C@H](CN(C)C)C(=O)Nc1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)s2)c1 45325144 OBJYVUBDNYVXLI-CQSZACIVSA-N 422.529 5.234 0 1 HKAF CCC[C@@]1(c2cccc(OC)c2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F 64379450 VRUQXMBWFAQQFY-LJQANCHMSA-N 412.839 5.802 0 1 HKAF COc1ccc([C@H](c2c[nH]c3ccc(Br)cc23)N(C)c2ccccc2)cc1 71331486 LTMDZKARKGINDO-HSZRJFAPSA-N 421.338 6.165 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccc(C)o2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181271 QGMXFTJMBZTVHM-CQSZACIVSA-N 409.921 5.706 0 1 HKAF CCCP(=O)(CCC)[C@H](Cc1ccc(F)c(F)c1)c1sc2ccccc2c1C 84635366 CPHLHKBFTUDQBK-OAQYLSRUSA-N 420.505 7.955 0 1 HKAF COc1ccccc1OC[C@@H]1Cc2ccccc2CN1C(=O)c1cccc2ccccc12 84668635 DBHOIOXMNWQGBB-QHCPKHFHSA-N 423.512 5.495 0 1 HKAF Cc1nnc(SCc2nnc(-c3ccc(Cl)cc3)o2)n1-c1ccccc1Cl 95584921 ILFJTXOLTXUTHA-UHFFFAOYSA-N 418.309 5.225 0 1 HKAF CC(C)(C)NC(=O)c1c(N)sc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 103143746 UUKNOYLAMPXWFV-UHFFFAOYSA-N 419.377 6.499 0 1 HKAF C[C@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 119213923 VCYNHQOAZQMPOJ-LBTVUSOMSA-N 413.646 5.575 0 1 HKAF in-man COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-c2cccnc2)c1 167263218 GXWVOUXPUUSXQW-OAQYLSRUSA-N 402.494 5.020 0 1 HKAF Fc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@H]2c2ccc(F)cc2)N3CCc2ccccc2)cc1 169324092 TULWTCRECLIYGX-WKAQUBQDSA-N 403.516 6.312 0 1 HKAF COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccc(F)nc1 205914493 GXAXPIAGEGQYAM-UHFFFAOYSA-N 406.335 5.047 0 1 HKAF COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C)[nH]c4cnccc34)c12 225374320 PXCMCMUXYPGWLG-UHFFFAOYSA-N 424.464 5.243 0 1 HKAF C/C(=C\[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@@H]4[C@@H]3CC[C@]12C)[C@H](C)C(C)C 255280423 XHBUOPUSZGNMDC-QEWNTCBSSA-N 400.691 7.491 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](CO)[C@H]1CC3 261497583 ORZKEIGPXNMCHC-ZMWYWQKYSA-N 414.674 6.671 0 1 HKAF endogenous,in-man Cc1cc(Cl)cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 587000208 HAYXVOQOLFINOS-NSCUHMNNSA-N 405.679 5.229 0 1 HKAF FC(F)(F)c1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2cc1Br 587028046 NIVOCYZJDSWMOQ-UHFFFAOYSA-N 424.245 6.135 0 1 HKAF Cc1onc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)c1COc1ccccc1Cl 587063472 NTROQADZPLYNLZ-UHFFFAOYSA-N 407.779 5.778 0 1 HKAF Cc1cc(Cl)ccc1OCCCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587066815 RTWVXRNBDKJNKN-UHFFFAOYSA-N 404.897 5.767 0 1 HKAF Cc1cc(Br)c(-c2nc3cc(F)cc(Br)c3[nH]2)cc1F 587137543 BATKEQZOIYJOCZ-UHFFFAOYSA-N 402.036 5.342 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CC[C@H](Cc3ccccc3)C2)[C@@H]1c1ccc(F)cc1 587353799 OZPYFSKKHJLIFY-UFKXBGGNSA-N 402.465 5.672 0 1 HKAF COc1cccc(-c2cc(-c3ccc(Br)o3)nc3c2oc2ccccc23)c1 587357041 DMXYGOAVZMFBBC-UHFFFAOYSA-N 420.262 6.679 0 1 HKAF CCc1c([C@@H](CC)C(=O)OC)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587362198 GNSQGTFKRYCBEF-GOSISDBHSA-N 403.478 5.886 0 1 HKAF Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)sc2ccccc12 587374072 NSVQPICFIVPMRE-WIOPSUGQSA-N 418.489 6.329 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3ccc(CC)cc3)o1)CC2=O 587480690 KMKSFCIEFMJAMS-XMMPIXPASA-N 406.478 5.786 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3ccc(C(=O)O)cc3)c1)CC2=O 587491911 XGAZHKMFCFNGGX-HSZRJFAPSA-N 402.446 5.416 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccsc1C(=O)O)CC2=O 587494168 JWYUEQFLZDWWOT-HSZRJFAPSA-N 408.475 5.013 0 1 HKAF O=C1C[C@H](c2ccnc3c(Br)cccc23)Oc2c1ccc1c2CCCC1 587496578 IQVYEIQOPJSHRW-HXUWFJFHSA-N 408.295 5.583 0 1 HKAF CCCOc1ccc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546158 IUXGWXRMKRKNBC-NFBKMPQASA-N 410.853 5.537 0 1 HKAF CCCCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587580058 WWNNSMKCDXZXJZ-JYFHCDHNSA-N 413.473 5.850 0 1 HKAF CCOC(=O)c1c([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2c(C)cc(Cl)cc12 587626005 BKHKTIHOWGJNMF-ZDUSSCGKSA-N 406.910 5.031 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(C)(C)C)c([C@](O)(c3ccccc3)C(F)(F)F)c2c1 587640186 FXGYGZPOMWIQCO-IQMFZBJNSA-N 403.488 6.777 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc4c(c3)c3ccccc3n4CC)c2c1 587641071 FAQRDNUCKZEJTD-KRWDZBQOSA-N 423.560 7.370 0 1 HKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(C(F)(F)F)cc1Cl 587658143 IBNQYOBMKKGAAS-UHFFFAOYSA-N 418.777 5.864 0 1 HKAF Cc1cc(Cl)cc2c1OCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587697091 LOCUWWKIKXZVGV-WLRWDXFRSA-N 410.714 5.110 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(Cl)c2Cl)N1 587700697 ZZUYFRGANOZTEB-XLFHBGCDSA-N 403.122 5.693 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(Cl)cc2Cl)N1 587716139 IVMRVZHYNQIXLJ-GYKQLYQFSA-N 407.085 5.658 0 1 HKAF CCS(=O)(=O)c1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783668 DWQUAHGANUBXHD-GDNBJRDFSA-N 418.518 5.106 0 1 HKAF CCCCCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587798026 XEJNVXNCFGDNPR-OYHNWAKOSA-N 420.366 6.171 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587813380 BWWXBKIEFXCZPB-BXKMTCNYSA-N 424.357 6.031 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3ccccc3)c2)N1 587814831 JCNWRKOLMHCTNT-CMJOXMDJSA-N 410.330 6.053 0 1 HKAF CCCC[C@]1([C@@H]2CCOC(C)(C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 587831655 ILBDXSLZZIHBKD-IUSZMWJPSA-N 412.387 5.713 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc2c1OC(C)(C)C2 587836274 ZNTXUCWALPZPHM-BUXKBTBVSA-N 404.323 5.234 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCC3)Oc3ccccc32)N1 587839586 SXWZXAGTBONENO-ZSEKCTLFSA-N 402.307 5.071 0 1 HKAF Cc1csc2sc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C)c12 587857923 NLQVPSCOACMNJP-FVMDXXJSSA-N 410.377 6.105 0 1 HKAF Cc1nc2scc(C3CC3)n2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587858138 YDBTXNMMNNHSSV-HUTHGQBESA-N 420.351 5.107 0 1 HKAF O=C(OCc1ccccc1)N1CCC[C@H](c2nc(-c3ccc(F)c(F)c3)cs2)C1 587922645 RTBZJPFGQDAJTR-KRWDZBQOSA-N 414.477 5.605 0 1 HKAF Ic1cccc2nc(Cc3ccccc3-c3ccccc3)[nH]c12 587959916 XOHIVESYGBNYFW-UHFFFAOYSA-N 410.258 5.425 0 1 HKAF COc1cc2c(cc1OC)[C@](c1cccc(Cl)c1Cl)(C1CC1)N(C)[C@@H](C)C2 962615679 AFBKWYCGCBTTIO-WHEQGISXSA-N 406.353 5.541 0 1 HKAF COc1cc2nc(C)nc(N[C@H](C)c3cccc(C)c3)c2cc1-c1ccc(O)nc1 1857556592 PAPJYYWFSHPGFK-OAHLLOKOSA-N 400.482 5.196 0 1 HKAF CC1(C)CC[C@H](N2CC(=O)Nc3ccc(Br)cc3[C@@H]2c2ccccc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c1ccccc1NC(=O)N1CCC[C@H](c2nc(-c3ccc(C(C)C)cc3)no2)C1 1360213 OXYAMOHMZYVUQJ-FQEVSTJZSA-N 404.514 5.580 0 3 HKAF COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(C)C[C@@H]4[C@@H]3c2ccccc2)c1 13812936 SFLQIDPCXCBBAD-DFINWVHASA-N 423.556 5.592 0 3 HKAF Fc1ccc(-c2cc(-c3nc(-c4ccccc4Cl)no3)c3ccccc3n2)cc1 2479441 GDKATSNTQGMXDB-UHFFFAOYSA-N 401.828 6.411 0 1 HKAF COc1cc(C)cc2c(O)c(-c3c(C)cc4c(O)ccc(O)c4c3OC)cc(O)c12 6070317 ZJRWZTHOZANQFZ-UHFFFAOYSA-N 406.434 5.116 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1c2ccccc2COc2ccc(F)cc21 13735200 RWLUEHGGPAVAAQ-RUZDIDTESA-N 417.524 6.736 0 1 HKAF CC(C)=CCC[C@@]1(C)C=Cc2c(ccc3c2OC[C@H](c2cc4c(cc2O)OCO4)C3)O1 14614047 CBOJKMZBEYAWFP-DWXRJYCRSA-N 420.505 5.750 0 1 HKAF biogenic C[C@@H]1Cc2ccccc2[C@@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1 26744130 JJHUGZVLLUVXKL-OPAMFIHVSA-N 417.380 5.146 0 1 HKAF O=C1C[C@H](c2ccc(Cl)cc2Cl)Cc2c1c(=O)c1cc(Cl)ccc1n2O 27094385 WLZRJUAGKIICPX-SECBINFHSA-N 408.668 5.112 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CNC(=O)CP(=O)(O)O 27518631 JERRNUSBLOXSHR-YKBIRWAZSA-N 411.523 5.426 0 1 HKAF CC[C@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4ccc(F)cc4)oc3C)ccc21 28563467 HOLWSQOWERGNCR-UNMCSNQZSA-N 423.484 5.551 0 1 HKAF O[C@@H](COc1cccc2ccccc12)CN1CCC(Cc2ccc(Cl)cc2)CC1 28771958 FITAKACFIOKDJH-HSZRJFAPSA-N 409.957 5.188 0 1 HKAF C[C@@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1c1cccc2ccccc12)OCO3 29567183 IRDPQZZRJGHXAG-QGZVFWFLSA-N 421.500 5.354 0 1 HKAF C/C(=C\CC(C)C)[C@@H](C)[C@H]1CC[C@H]2[C@@H](CCc3cc(O)ccc3C)C(=O)CC[C@@]21C 33820700 VCPSCMZUIRKCJL-RZLPXFNASA-N 410.642 7.273 0 1 HKAF Oc1cc(CCc2ccc(OCc3ccccc3)cc2)cc(OCc2ccccc2)c1 40395368 QZFHDHOXPBWACJ-UHFFFAOYSA-N 410.513 6.335 0 1 HKAF CC(/C=C/C(=O)N[C@@H](C)c1ccc(Br)cc1)=C\c1ccc2c(c1)OCO2 40914705 HSTFAWUWUHMPMP-ISNRSGTOSA-N 414.299 5.015 0 1 HKAF O=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1ccc2sccc2c1 45356856 ICZJEELWSTZLAQ-UHFFFAOYSA-N 401.447 5.116 0 1 HKAF Nc1nc(=S)[nH]c2c1c(-c1ccccc1)c(-c1ccccc1)n2Cc1ccccc1 53296730 JUCFFHOHNXJNAR-UHFFFAOYSA-N 408.530 6.058 0 1 HKAF O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)c1ccccc1 64512538 RXAIRCMUTATKEJ-UHFFFAOYSA-N 408.383 5.205 0 1 HKAF CCOP(=O)(OCC)[C@H](Nc1nccs1)c1ccc(-c2ccncc2)cc1 73199040 RBRUHIVEDMFGNY-SFHVURJKSA-N 403.444 5.582 0 1 HKAF CCCCCn1c(-c2cccc(O)c2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181110 YSQOJZLYNPOHEN-UHFFFAOYSA-N 421.932 5.655 0 1 HKAF Cc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2cc(O)ccc2c1=O 84654191 KQEOYHMUJRZQHD-UHFFFAOYSA-N 412.367 5.170 0 1 HKAF CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@H](CC=C(C)C)C(=O)[C@@H]1C(=O)C(C)C 104368845 AXAAMKAGJNUYDB-IPVQETTRSA-N 400.647 7.498 0 1 HKAF in-man O=C(c1nc2ccccc2[nH]1)N1CC(c2nc3ccccc3cc2-c2ccccc2)C1 140106294 YFTBVPDYMNBQSB-UHFFFAOYSA-N 404.473 5.018 0 1 HKAF C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@@]5(C)[C@@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CN2 253987040 XYNPYHXGMWJBLV-SJVRRANNSA-N 415.662 5.367 0 1 HKAF CC1(C)CC[C@]2(C)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 255209728 FQJLCTDZJGECJX-ONVJOHOVSA-N 412.702 7.779 0 1 HKAF FC(F)(F)c1cnc2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2c1 586974773 GZLLJMCBYUIMBB-UHFFFAOYSA-N 411.008 5.713 0 1 HKAF Cc1ccc2c3c(cc(/C=C\c4cccc(C(F)(F)F)c4)nc13)-c1ccccc1C2=O 586992140 DSFJQFOYPDDZDC-KHPPLWFESA-N 415.414 6.944 0 1 HKAF N[C@H](N=O)c1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 587041187 WZHGRKJYHNIDJA-JOCHJYFZSA-N 401.495 5.132 0 1 HKAF Cc1c(Br)ccc2nc(COc3ccccc3C3SCCS3)[nH]c12 587042610 UKKADYYWSCMFLU-UHFFFAOYSA-N 421.385 5.691 0 1 HKAF COc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCCO4)cc(Cl)c1OCC(C)C 587046790 MHBVCKNMFZFQEP-PLNGDYQASA-N 414.889 5.201 0 1 HKAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 587050335 IREQFZFXQLNKEX-UHFFFAOYSA-N 416.230 6.150 0 1 HKAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587068681 AZTDYXKKZZJPTI-JTQLQIEISA-N 421.772 5.539 0 1 HKAF FC(F)(F)c1cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1Br 587081399 URPBOAKDHAZJQQ-CQSZACIVSA-N 417.612 5.674 0 1 HKAF Fc1cnc(Br)c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c12 587083315 NUGVJADLQCGSGV-UHFFFAOYSA-N 412.049 5.382 0 1 HKAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c(F)c2)c1 587138218 CIVQHQOLTLSCHY-UHFFFAOYSA-N 419.309 5.287 0 1 HKAF O=C(/C=C\c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)Nc1ccc(F)cc1 587166356 BLYKMQGYVREBCD-QXMHVHEDSA-N 414.465 5.631 0 1 HKAF Fc1ccc2c(c1)C[C@H](c1nc3cc(C(F)(F)F)cc(Br)c3[nH]1)O2 587173693 GQVAZFZCROPTCE-CYBMUJFWSA-N 401.157 5.160 0 1 HKAF CCc1ccc(O)c(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)c1 587206452 KZXLKCAWSKNKSO-UHFFFAOYSA-N 409.441 5.008 0 1 HKAF COc1ccccc1Nc1ccccc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587241597 YEGTYFBRWXWNTC-UHFFFAOYSA-N 417.818 6.654 0 1 HKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 587242751 ZAUNQHCEMHSOFZ-UHFFFAOYSA-N 407.461 6.217 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCSc3ccc(F)cc32)[C@H]1c1ccc(F)cc1 587334173 LODOJUWXQLRKOU-GMAHTHKFSA-N 410.441 5.421 0 1 HKAF CC(C)(C)[C@]1(Cc2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349229 TXZATIPBMOYWLF-WIOPSUGQSA-N 405.469 5.313 0 1 HKAF COCOc1ccc([C@]2(c3ccccc3Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587377034 FZALUZSXGWIOEJ-DEOSSOPVSA-N 423.896 5.122 0 1 HKAF CCCC[C@]1(c2ccc(Cl)c(Br)c2)CC(=O)c2cc(C)cc(N)c2O1 587378577 VWRCPAHULPNVPJ-HXUWFJFHSA-N 422.750 6.044 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(Cl)cc1Br)CC2=O 587457450 ZQWDRPMPYQLKLR-HXUWFJFHSA-N 423.734 5.727 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1cc3ccccc3nc1N)(C(C)(C)C)CC2=O 587473443 VDKPXZUGYBAGSL-VWLOTQADSA-N 404.510 5.382 0 1 HKAF CCCCCS(=O)(=O)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587533778 VUMVWCQZPWMCOO-HSZRJFAPSA-N 412.551 5.236 0 1 HKAF C[C@]1(c2ccc(OCCCF)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557374 RIOVHVLSWMNAKT-XUZZJYLKSA-N 408.425 5.008 0 1 HKAF C[C@@]1(c2cccc(C3CCC3)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587566694 ANFDJECTENZECR-BWKNWUBXSA-N 404.437 5.676 0 1 HKAF CN(C)c1ccc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2c1 587573233 SHEKLXJLAFSMJU-JYFHCDHNSA-N 411.457 5.314 0 1 HKAF CC[C@H](C)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587593368 IVXNYRXJWXLZRO-PZQJFTFDSA-N 420.461 5.281 0 1 HKAF C[C@H](c1nc2ccccc2s1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616350 CBBGNJXQAAGCDT-AQDXNVIQSA-N 417.486 5.526 0 1 HKAF COc1cc(C(=O)c2c(C(F)(F)F)[nH]c3cc(F)ccc23)ccc1OC(F)F 587633655 IXEIZPAHTDMWMN-UHFFFAOYSA-N 403.278 5.167 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2cc(Cl)cc(Cl)c2)N1 587700135 LURFPUKOCMSPSU-MGNBDDOMSA-N 417.149 5.887 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C(F)(F)F)c1 587710111 FHYIRNZYZWGOIO-QGHHPUGFSA-N 402.229 5.539 0 1 HKAF Cc1cc(C(F)(F)F)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587710132 FJVDDJXYHKAVQE-QGHHPUGFSA-N 402.229 5.539 0 1 HKAF CC[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587711147 GHZUMBVSLJLULR-VOJFVSQTSA-N 416.256 5.795 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC=C(NNc3ccccc3)C2)N1 587750242 RZFJSFMSMKKNOK-SZNDQCEHSA-N 416.338 5.002 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2N2CCCCCC2)N1 587767206 QVFKZUYBBGOASH-FYINFDKHSA-N 409.387 5.136 0 1 HKAF CCOc1ccc2ccccc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587801693 MZQRNORKBYYYGG-WHEQGISXSA-N 414.318 5.764 0 1 HKAF CO[C@@H]1C[C@H](c2ccccc2)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587812381 QIXNMZHAAGIJED-YGYKEATISA-N 418.350 5.300 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)CCC3)(C(C)(C)C)N1 587812955 MFFYCJHAFQDSDD-FATZIPQQSA-N 416.378 5.901 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C=C(c2ccccc2)c2ccccc2)N1 587818740 JBMXOVAFPGOPFQ-GYCJOSAFSA-N 422.341 6.295 0 1 HKAF Oc1nc2cnc3ccc(-c4ccc(F)cc4)cc3c2n1-c1cccc(C(F)(F)F)c1 653850108 RVXHLJZHZOVHNK-UHFFFAOYSA-N 423.369 6.104 0 1 HKAF Clc1cccc2c1[C@]1(NCCc3cc(-c4ccccc4)ccc31)c1ccccc1CC2 962664599 OUDZWWFEIZKLGI-LJAQVGFWSA-N 421.971 6.543 0 1 HKAF O=C(O)c1cc(Br)c([C@H]2c3ccsc3CCN2Cc2ccco2)s1 962717663 VJDFKRQJAJCJDW-OAHLLOKOSA-N 424.341 5.011 0 1 HKAF CCCCCC1(C(C)=O)CCC2(CC1)c1cccc(F)c1CCN2[C@H]1CCSC1 962720748 WNNIILIIVAFTFD-LXKSKSEUSA-N 417.634 6.114 0 1 HKAF CC(C)(C)OC(=O)N1CCCc2ccc([C@H]3c4ccc(F)cc4C[C@@H]4CCCN43)nc21 963103508 LMCJIHNVOWKRFU-SIKLNZKXSA-N 423.532 5.018 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(COc1ccccc1)c1ccc(Cl)cc1 963257570 KUCSKTZOAXGORZ-IBVKSMDESA-N 405.969 6.319 0 1 HKAF CC1(C)CC[C@]2(C)CC=C3[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]34C)[C@@H]2C1 2356436120 BBABFZDRVGJXDN-JWGRQAJESA-N 412.702 7.779 0 1 HKAF C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@@H](C)CN2 2356460031 HOEJSFZVOUECLS-LXOIDOSGSA-N 414.678 5.333 0 1 HKAF CC=C(C)C(=O)O[C@H]1[C@@]2(C)[C@H]3C[C@H]4[C@]5(C)CCC[C@@](C)(C(=O)OC)[C@H]5CC[C@@]41C[C@H]32 2356466637 ODPVEUHWRLKVGP-LIBYXDASSA-N 414.586 5.306 0 1 HKAF C[C@@H]1c2ccoc2C[C@@H]2[C@@H]1C[C@H](OC(=O)c1ccccc1)[C@]1(O)C(C)(C)CCC[C@]21C 2356516513 ZZXWDPBNAKZNOO-WZWZDEGWSA-N 422.565 5.748 0 1 HKAF CC(C)C[C@@H](O)[C@@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356616744 FHSVMYDBGPVTTJ-KXKVRFBJSA-N 420.678 5.410 0 1 HKAF C[C@@H]1CC[C@]2(NC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 2356621933 VCYNHQOAZQMPOJ-KZFLPUHTSA-N 413.646 5.575 0 1 HKAF CC(C)=CCc1c2c(cc3c1O[C@H]1Oc4cc(O)ccc4[C@H]1C3=O)C=CC(C)(C)O2 2356725806 UMUPYTNUCKMVFH-GBXCKJPGSA-N 404.462 5.163 0 1 HKAF C[C@@]1(C(=O)NCc2cccc3ccccc23)CCN1Cc1ccc(-c2ccccc2)o1 61905777 SFFLEIGDKDGEBL-MHZLTWQESA-N 410.517 5.381 0 3 HKAF Clc1sccc1CO[C@@H]1c2c(ccc3c2CCCC3)S[C@@H]1Cn1ccnc1 3822222 YDIMTSKBEXCNQL-QUCCMNQESA-N 416.999 5.909 0 1 HKAF O=C(Nc1ccc2nc(NC(=O)C3CC3)sc2c1)c1c(Cl)cccc1Cl 13980988 PNWPJPULFNXXLG-UHFFFAOYSA-N 406.294 5.204 0 1 HKAF c1ccc(CN[C@@H]2C3[C@@H]4CCC[C@H]3CN(C4)[C@H]2C(c2ccccc2)c2ccccc2)cc1 26718942 FYFPUCQHJNRILA-BASDWSHUSA-N 422.616 5.707 0 1 HKAF Cc1ccc(C)c(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 27525364 GETCFTYJLDUJTR-VMPREFPWSA-N 411.589 6.115 0 1 HKAF CC(C)N(Cc1ccncc1)C(=O)Cc1c(-c2cccc(Cl)c2)[nH]c2ccccc12 27984858 RNGUYINUWCVHET-UHFFFAOYSA-N 417.940 5.863 0 1 HKAF CC(C)=CCc1c(O)cc(O)cc1-c1cc(=O)c2c(O)cc(O)c(CC=C(C)C)c2o1 29042120 XHUUNCPHYWVGFZ-UHFFFAOYSA-N 422.477 5.300 0 1 HKAF biogenic,in-vitro CSc1ccc(C2=C(c3ccc(Br)cc3)C(=O)N3CCC[C@@H]3C2)cc1 29406884 IYRROGWZCATDDC-QGZVFWFLSA-N 414.368 5.477 0 1 HKAF COC(=O)[C@H](C)CCc1cn([C@@H]2c3[nH]c4ccccc4c3CC[C@H]2C)c2ccccc12 34353242 DVYOBJXLEMOJSO-KABRZNFWSA-N 414.549 6.036 0 1 HKAF biogenic C[C@H](c1ccccc1)n1cncc1C(=O)OCc1ccc(C(=O)c2ccccc2)cc1 36471238 WVZMDIKZVKSPKS-LJQANCHMSA-N 410.473 5.080 0 1 HKAF COc1nc2ccc(Br)cc2cc1[C@@H](Nc1ccccn1)c1ccccc1 40892501 HVGTYNHJGJLMSM-NRFANRHFSA-N 420.310 5.602 0 1 HKAF O=C(OCc1ccccc1)N1CC[C@H]2C[C@@H]1c1cc(-c3ccc4c(c3)OCO4)ccc12 61942615 DLVOOBPECZYQPY-NZQKXSOJSA-N 413.473 5.653 0 1 HKAF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3[nH]c4ccc(F)cc4c3[C@H]21 64415656 UBUOLKDRYMFOJE-ZRJLEYOISA-N 419.540 6.816 0 1 HKAF O=C(c1ccccc1-c1ccccc1)N1CCCC[C@H]1CCOc1ccc(F)cc1F 72119598 DBOQFZYFAREFRH-NRFANRHFSA-N 421.487 6.096 0 1 HKAF CCCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 82145115 ZRHVKZXRQGYKEA-TZEULACYSA-N 420.601 5.465 0 1 HKAF Cc1cccc(-c2nc(N3CCC(C)CC3)ncc2C(=O)N(CC(C)C)CC(C)C)c1 82147375 UQEGSZGNBYVHPB-UHFFFAOYSA-N 422.617 5.443 0 1 HKAF Fc1ccc(-c2nc(N3CCCC3)ncc2-c2ncc(-c3ccccc3)s2)cc1 82164395 GVMIKFJYARFLLF-UHFFFAOYSA-N 402.498 5.673 0 1 HKAF O=C(c1cccc2ccccc12)N1Cc2ccccc2C[C@H]1COCc1ccccc1 84653443 LEETUGUPLYOJQZ-VWLOTQADSA-N 407.513 5.624 0 1 HKAF CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC1=C(C)CC[C@@H]2C(C)(C)CCC[C@]12C 95914020 SVBPAUAALMHKCI-ZFJMHSOLSA-N 410.730 9.508 0 1 HKAF biogenic,in-vitro Fc1c(Cl)cccc1-c1nc2ccn(Cc3ccc(Br)cc3)cc-2n1 100068443 SSRMDSFCUCPRCW-UHFFFAOYSA-N 416.681 5.653 0 1 HKAF C[C@H]1[C@H]2Cc3cc4ncnc(NCc5ccccc5)c4cc3[C@@]1(C)CCN2CC1CC1 101199936 PGGRPGAMEVCOGX-IPEONRORSA-N 412.581 5.176 0 1 HKAF C[C@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)CCCCCCCCCCC(=O)O1 103215439 RNNGPENRYVCNLD-UNMCSNQZSA-N 423.619 5.101 0 1 HKAF CCc1ccc(C(=O)Nc2cc3nc(C4CCCCC4)[nH]c3cc2N(CC)CC)cc1 103256678 GBDQWPGWVWZXGT-UHFFFAOYSA-N 418.585 6.272 0 1 HKAF CC(=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O[C@H]4CCCCO4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 141358262 ACZALWXEBIXTFI-FBHHSKKGSA-N 414.586 5.245 0 1 HKAF CC(=O)COc1cccc([C@@H](C)Nc2cc(-c3ccc4occ(C)c4c3)nc(C)n2)c1 142145530 VGYHKDIOEGSKRS-QGZVFWFLSA-N 415.493 5.648 0 1 HKAF O[C@@H](C[C@H]1CCCCN1)c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1 169336009 XLEHXDWIZFWRLI-WBVHZDCISA-N 418.381 5.352 0 1 HKAF O=C1C[C@](CCc2ccccc2)(c2ccccc2)OC(=O)[C@H]1Sc1cccs1 169716093 HLFWZPOQHDICFH-JTHBVZDNSA-N 408.544 5.253 0 1 HKAF O=C1CCCN1[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 253654097 YZUQQTLIGPCXNY-RZDIXWSQSA-N 413.562 5.031 0 1 HKAF COC(=O)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccc(SC)cc2)cc1 253740395 VBCBQYQOZQQZBS-CMOCHNFLSA-N 405.563 5.115 0 1 HKAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cccc(OCc3ccccc3)c2[nH]1 586964243 VVEXVXWMVWMFLI-SFHVURJKSA-N 406.511 5.189 0 1 HKAF Cc1cc(Cl)cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586986018 UJTLWDHTGGHBLJ-GOSISDBHSA-N 404.739 5.472 0 1 HKAF COc1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2cc1Cl 587067668 JUUJXCNOPPFISF-UHFFFAOYSA-N 404.684 6.261 0 1 HKAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(Br)ncc2[nH]1 587121639 ITCIXTVRJMOUGF-UHFFFAOYSA-N 423.192 5.143 0 1 HKAF Fc1ccc(/C=C(\c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c2cccs2)cc1 587162453 BHJOVHFPMOCEME-ZSOIEALJSA-N 406.379 6.510 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1 587162953 DKXFTPNCVHDZPI-QNGOZBTKSA-N 424.500 6.583 0 1 HKAF Nc1c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cnc2c(F)cccc12 587176993 YJHGOKMXOOIUON-UHFFFAOYSA-N 411.465 5.776 0 1 HKAF Cc1c(Br)ccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 587220530 SMGZAGKPRRQARK-HXUWFJFHSA-N 420.310 5.153 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 587330081 MZTKAYGKYLIFFD-PWWKTKHKSA-N 422.883 6.250 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCc3cccc(Cl)c32)[C@@H]1c1ccc(F)cc1 587331417 PNEUNCHKUNEAIN-VWNXMTODSA-N 408.856 5.775 0 1 HKAF Cc1ccc([C@@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587331770 BVUQGPFMOHGZJG-NQJNDEHDSA-N 417.480 5.169 0 1 HKAF COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCc1cccc(F)c1 587384595 NEXFZMVITUOVCC-QFIPXVFZSA-N 407.441 5.010 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cn(C)c3ccc(Br)cc13)CC2=O 587457982 FEIUAKQKIXBGPO-FQEVSTJZSA-N 414.299 5.305 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3ccccc3c1OC(F)F)CC2=O 587468413 XCHBEORUMTVQJC-XMMPIXPASA-N 412.432 5.980 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(SC)cc3)cc1)CC2=O 587489103 AWSICGUZPQXLGP-DEOSSOPVSA-N 404.531 6.440 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1sc(Nc3ccccc3)nc1Cl)CC2=O 587495191 PSLXIFXFUHKXTK-KRWDZBQOSA-N 414.914 5.905 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc(Nc3ccc(CC)cc3)s1)CC2=O 587498181 ZGBDSZNQWGPASE-XMMPIXPASA-N 422.550 5.988 0 1 HKAF O=C1C[C@H](c2c(Br)ccc3ccccc23)Oc2c1ccc1c2CCCC1 587506391 XUKGIXOMNVFLMX-OAQYLSRUSA-N 407.307 6.188 0 1 HKAF CCOC(OCC)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587590662 ACLBNNNXPMELIU-URXFXBBRSA-N 420.461 5.167 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(Cl)c(Cl)c2)N1 587693207 IYBLBVZMKVPTJQ-MLCYQJTMSA-N 417.149 5.887 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ccc(F)cc3)n2)N1 587736891 VAPOTJJABLDAMC-YPMLDQLKSA-N 421.310 5.474 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C[C@H](C)c2cn(C)c3ccccc23)N1 587760648 ZSNNPVBZFUMEKF-DGCWBMGLSA-N 415.350 5.849 0 1 HKAF COc1cccc(OCc2ccc(-c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)cc2)c1 587780796 IVIHUXBBIHOWGF-UHFFFAOYSA-N 416.374 5.975 0 1 HKAF CCCOc1c(OC)cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587794099 OAQIECDVLOZWDQ-HXPMCKFVSA-N 408.311 5.009 0 1 HKAF C/C(=C\c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C1CCCCC1 587966078 AGIYPPVOVMYPDE-JXMROGBWSA-N 403.242 6.208 0 1 HKAF C/C(=C/c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)C1CCCCC1 587966641 CVXHTBMZMJNYQK-PTNGSMBKSA-N 405.380 6.734 0 1 HKAF CCOc1ccc2ccccc2c1[C@@H]1c2ccsc2CCN1Cc1cccn1C 962396239 FQAQMJRWFHDDER-VWLOTQADSA-N 402.563 5.786 0 1 HKAF CCC[C@H](C[C@@H]1c2ccsc2CCN1Cc1cccnc1)NC(=O)OC(C)(C)C 962995246 MPPHTUCCPVUSEP-UYAOXDASSA-N 415.603 5.326 0 1 HKAF CCOC(=O)CCC[C@@]1(c2cc(F)cc(F)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963098693 JAOSIPXLLWQBNC-XUZZJYLKSA-N 417.471 5.101 0 1 HKAF Clc1ccnc(Cl)c1[C@@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963833928 ZEBXHYGKSIQWCI-QFIPXVFZSA-N 424.331 5.684 0 1 HKAF COc1ccc(-c2cccc(Cl)c2F)cc1[C@@H](CC(=O)O)c1ncc(C)s1 1772588359 IKFVQBKAHPFRCU-OAHLLOKOSA-N 405.878 5.526 0 1 HKAF c1ccc2c(c1)N=C(c1cc3ccccc3o1)C[C@H](c1cccc3ccccc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c1ccc(O)c2c1C=C[C@@H]1CCC[C@@H]1O2)OC(C)=O 2356656663 XEKQHUBPILNRDJ-CIEVZJJWSA-N 416.558 5.162 0 1 HKAF Cc1cccc2oc(=O)c3c(c12)O[C@@]1(C(=O)CC(C)C)O[C@H]3[C@@H]2C(=CC[C@H]2C)[C@@H]1C 2356663711 RNMCIHINZSRFRU-UXWIFXBTSA-N 408.494 5.095 0 1 HKAF CCCCC[C@H](O)C=CCCCCC[C@H](CCc1ccccc1)[C@H](C(=O)O)[C@@H](C)O 2356768800 RNNFUQMZRJKOML-MJTJJFPGSA-N 418.618 5.765 0 1 HKAF CCCCCCSc1cc(-c2nc3cnccn3c2NCCCC)ccc1OC 61959566 FSFSKAMHJFQQHQ-UHFFFAOYSA-N 412.603 6.289 0 3 HKAF CCc1c(C)[nH]c(=O)c(NCc2cc(C)c(C)cc2OC)c1Cc1cc(C)cc(C)c1 5886252 BCJQLDWAGGSMQG-UHFFFAOYSA-N 418.581 5.691 0 1 HKAF COc1c(-c2c(C)cc3cccc(OC)c3c2O)c(O)cc2c1[C@@H](C)N(C)[C@H](C)C2 13359344 UKOYLRKCEGOLOJ-HUUCEWRRSA-N 407.510 5.181 0 1 HKAF biogenic Oc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 13472270 NCUBJFKKBSKXFS-UHFFFAOYSA-N 401.550 5.801 0 1 HKAF COc1cc2c(cc1OC)C(=O)[C@@H](CCCCC1CCN(Cc3ccccc3)CC1)C2 13744613 NJXCWOPVWKZAJJ-QFIPXVFZSA-N 421.581 5.531 0 1 HKAF FC(F)(F)c1cc(COC[C@]2(c3ccccc3)CCCCN2)cc(C(F)(F)F)c1 13781110 SDAQMMFVBYMJDD-IBGZPJMESA-N 417.393 5.910 0 1 HKAF O=c1cc(-c2cccc(-c3ccc(C(F)(F)F)cc3)c2)c2cc3c(cc2o1)OCO3 13814094 MFPAMBLBGJCATC-UHFFFAOYSA-N 410.347 5.875 0 1 HKAF aggregator CCOC(=O)/C=C(C)/C(F)=C/C=C(C)/C=C/c1c(Cl)cc(OC)c(C)c1Cl 25987557 VSXATMDFYANSRS-ADOKYTEXSA-N 413.316 6.633 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 26259145 HCXVJBMSMIARIN-DHTNLUHNSA-N 412.702 7.801 0 1 HKAF biogenic,in-vitro CCCCCCOc1cc(OCc2ccc(C(=O)O)cc2OC)ccc1C(C)=O 27894763 NXUGXAUZMAZBMJ-UHFFFAOYSA-N 400.471 5.134 0 1 HKAF CSc1ccc(OC(=O)c2ccccc2Nc2ccnc(C(F)(F)F)c2)cc1 28394854 MEAYQBDQPODNHW-UHFFFAOYSA-N 404.413 5.785 0 1 HKAF COc1ccc(CNc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1Br 28563546 XWLMQSXLNOKAKN-UHFFFAOYSA-N 408.299 5.613 0 1 HKAF CC[C@H](c1nc(SCc2ccc(OC)cc2)[nH]c(=O)c1C)c1c(F)cccc1F 28862882 GLCQLPQPSHBAOZ-INIZCTEOSA-N 416.493 5.199 0 1 HKAF CC/C(=C(\c1ccccc1)c1ccc(OCCCN2CCCC2)cc1)c1ccccc1 29463112 PNRJFZDVZGVWQJ-ZIADKAODSA-N 411.589 6.920 0 1 HKAF COc1ccccc1C(=O)N1c2ccc(C)cc2[C@@H](Nc2ccc(C)cc2)C[C@H]1C 29560353 JLUWCLDGPFPSCF-XXBNENTESA-N 400.522 5.904 0 1 HKAF CC(C)C(C)(C)CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3 33830844 NRIBXOJDVLJPNZ-ZBEIDSFLSA-N 414.718 8.169 0 1 HKAF Cc1ccc(-n2cc(C)nc2SCC(=O)Nc2ccccc2Cl)c(Cl)c1 40891859 TYHSHNHVWHLUBJ-UHFFFAOYSA-N 406.338 5.527 0 1 HKAF c1ccc2c[n+](CCCCCCCCCCC[n+]3cccc4ccccc43)ccc2c1 43023487 YOUDCEOXTLEOTC-UHFFFAOYSA-N 412.621 6.779 0 1 HKAF COc1cc(-c2ccccc2C)c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 49111628 UJXPNHJXBUDOGG-CRICUBBOSA-N 411.973 6.365 0 1 HKAF O=C(O)[C@@H]1CCCN(CC/C=C(/c2ccccc2)c2ccccc2Br)C1 66251737 VXLYYQILXABUIX-GEBKJHSDSA-N 414.343 5.068 0 1 HKAF CCC(CC)Nc1c2c(nc3c(-c4ccc(OC)cc4SC)c(C)nn13)CCC2 72113539 DRPXMMSIHPLGDW-UHFFFAOYSA-N 410.587 5.524 0 1 HKAF O=C(c1ccccc1)c1ccc(Oc2cc(NCc3cc(F)ccc3F)ncn2)cc1 82067554 QWIBCCIAAVWDAI-UHFFFAOYSA-N 417.415 5.390 0 1 HKAF CCCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc(C)c2)n1 82167356 RNLHWJOOYGSXIK-UHFFFAOYSA-N 400.551 6.455 0 1 HKAF CN1CCC[C@H]1CCn1c(C2CCCCC2)nc2c(NCc3cccs3)ncnc21 82190366 YCUWPFFVMKZWEM-SFHVURJKSA-N 424.618 5.032 0 1 HKAF O=c1c2ccccc2sn1[C@H](Cc1ccccc1)c1nnc(-c2cccs2)o1 95595199 KDWMSOQCGZFHFW-MRXNPFEDSA-N 405.504 5.007 0 1 HKAF Nc1nccn2c(-c3ccc4cc[nH]c4c3)nc(-c3ccc(Oc4ccccc4)cc3)c12 96168202 WRDXZBNMNSAMIP-UHFFFAOYSA-N 417.472 5.919 0 1 HKAF CCCCCCOC[C@]12C[C@@H]3[C@@H](C)CC[C@@H]3[C@@]3(C#N)C[C@H]1C=C(C(C)C)[C@]32C(=O)O 100824602 RKAMGZGOYLPRMT-JHRJFHFLSA-N 413.602 5.833 0 1 HKAF Cc1cc2c(c(=O)n1-c1ccccc1)[C@H]1O[C@@](c3ccsc3)(Cc3ccccc31)O2 102851370 GVHLKMUGQOJKTH-UKILVPOCSA-N 413.498 5.115 0 1 HKAF O=C(Nc1cccnc1)c1cc(-c2nccs2)nc2ccc(-c3ccccc3)cc12 150139630 CVGUPUDYKGWENN-UHFFFAOYSA-N 408.486 5.673 0 1 HKAF Cn1ccc2c(OCCN3[C@@H]4C=C(c5ccc6ccccc6c5)C[C@@H]3CC4)cccc21 169359398 PACNMVZHIRIVJY-DQEYMECFSA-N 408.545 6.031 0 1 HKAF CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(-c2ccccc2)nc2ccc(OC)cc12 253951443 VDHJBPQFAPAQBH-MFQNCIFPSA-N 402.538 5.064 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 255212163 GKBHKNPLNHLYHT-IPGLCUPKSA-N 400.735 9.134 0 1 HKAF CC(C)CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 261151009 OXYSILQZQLVAHW-AQYVVDRMSA-N 410.602 5.723 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/c3cccc([C@H](O)CCO)c3)CCC[C@@]21C 299824054 AISLJKGYGMGVKF-CETAABELSA-N 412.658 7.165 0 1 HKAF Cc1cc2ccccc2nc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O 584905478 ZPNZQVNPYMEKML-KRWDZBQOSA-N 424.500 5.603 0 1 HKAF in-vitro Cc1cc(Cc2nc3cc(Cl)cc(Br)c3[nH]2)ccc1Br 586977572 QXYDIRPHLQWHKK-UHFFFAOYSA-N 414.528 5.641 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(Br)cc(F)c2[nH]1 587013998 FXTHPPGGNAENRJ-UHFFFAOYSA-N 422.710 6.217 0 1 HKAF Clc1ccc(-n2cccc2)cc1-c1nc2cccc(I)c2[nH]1 587048941 DESDHHGOEFIINF-UHFFFAOYSA-N 419.653 5.279 0 1 HKAF C[C@H](c1nc2cc(Br)cc(Cl)c2[nH]1)c1ccccc1C(F)(F)F 587096762 BCJHHNJJFNVTHZ-QMMMGPOBSA-N 403.629 6.149 0 1 HKAF O=C1c2ccccc2-c2cc(/C=C/c3cccc(Br)c3)nc3cccc1c23 587100901 BJCIBELXQUFQDA-VAWYXSNFSA-N 412.286 6.379 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cccc(Br)c3F)nc3cccc1c23 587104383 SRGTWVQXJWOMKU-UHFFFAOYSA-N 404.238 6.015 0 1 HKAF Cc1oc(-c2ccc(Cl)cc2)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104892 YLRDXWLDQFBMTL-UHFFFAOYSA-N 421.883 7.335 0 1 HKAF Fc1cc(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)ccc1-c1ccccc1 587145953 WQIIPPSTYUPSLV-UHFFFAOYSA-N 410.517 7.111 0 1 HKAF O=NCc1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1 587191209 VPAMOWUGIGHQPS-UHFFFAOYSA-N 400.154 5.157 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](c2nc(C)no2)C3)c1 587362129 FKQMENKCMDKEDE-MRXNPFEDSA-N 411.461 5.621 0 1 HKAF COc1cccc(-c2c(Cc3ccc(C(C)(C)C)cc3)cnc3c2oc2ccccc23)c1 587367473 RVSPPABDVGJKPA-UHFFFAOYSA-N 421.540 7.545 0 1 HKAF CCC[C@@]1(c2cc(C)sc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587377196 QXRJSTQGJFDDSC-UPVQGACJSA-N 410.510 6.264 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Oc3ccc(Cl)c(Cl)c3)c1)O2 587377398 HLPUYPWLKHAIII-OAQYLSRUSA-N 414.288 6.383 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccccc3)c(C)c1)CC2=O 587483218 VXXMJPLKZCIGAI-RUZDIDTESA-N 402.490 5.939 0 1 HKAF O=C1C[C@](c2ccccc2)(c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 587501541 BIJXBWTVTPUDRT-VWLOTQADSA-N 423.339 6.781 0 1 HKAF C[C@H]1CCCN(CCOc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)C1 587515605 VTHTYGACVLHKSD-AFMDSPMNSA-N 419.565 5.383 0 1 HKAF CC[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548938 PAAQJEOZKMCKRJ-DENIHFKCSA-N 414.379 5.678 0 1 HKAF CC[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603212 NSXSPPRBWZZRKN-NAKRPHOHSA-N 422.480 6.326 0 1 HKAF CC(C)CCCCCCCCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604386 WDHDIMXXERCFAF-ZCYQVOJMSA-N 424.581 7.279 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3C)c(CC(=O)O)c2c1 587639026 MQDAQXXLNUMEMH-LBPRGKRZSA-N 400.316 6.046 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccc(Cl)c(Cl)c2)N1 587699962 ZAXPSDBSNAGNBR-PPNPAKPKSA-N 415.133 6.184 0 1 HKAF C[C@H]1C[C@@H](C)CN([C@@H]2CCCC[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)C1 587757722 BJNMSLMRLWSAPW-LSAWPXHUSA-N 423.414 5.238 0 1 HKAF CCCOc1c(OC)cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587794097 OAQIECDVLOZWDQ-BUXKBTBVSA-N 408.311 5.009 0 1 HKAF CC1=C(CC[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)CCC1 587812216 JFEYGAIRDYCLAZ-IVZQSRNASA-N 408.399 6.644 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H](Cc3ccccc3)C2)N1 587816967 GMQPZTYOXZEMAC-JLDZCNIISA-N 402.351 5.751 0 1 HKAF CCCCOc1cccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c1 587862134 FHYZCAIKTWVNRM-UHFFFAOYSA-N 418.415 5.445 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C)nc2c(C)ccc(C)c12 587863054 PGTIILGZXJZGDW-UHFFFAOYSA-N 411.427 6.040 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc(Oc5ccccc5)ccc4[nH]3)cc2)cc1OC 587928490 GWQSPBSECBSBDH-UHFFFAOYSA-N 422.484 6.706 0 1 HKAF N=C(Nc1ccc(-c2ccc(-c3ccccc3)o2)c(C(F)(F)F)c1)c1ccccn1 653715016 XTVIMPWOMSRYIR-UHFFFAOYSA-N 407.395 6.465 0 1 HKAF CCC[C@@]1(c2sccc2C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962642013 NIWNBAUGUXIJLD-BVAGGSTKSA-N 402.607 5.847 0 1 HKAF Brc1ccc([C@@]2(C3CC3)c3ccsc3CCN2Cc2ccco2)cc1 962712679 NYGFAYMPEFPCOM-NRFANRHFSA-N 414.368 5.816 0 1 HKAF Cc1ccc(CC[C@]2(c3ccccc3F)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963118215 ZAQYHNZDGOHZTG-YIXXDRMTSA-N 403.516 6.170 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@]2(CC(C)(C)C)c1ccc(C2OCCO2)s1 963271901 XCAOKCGLHAUUIR-QFIPXVFZSA-N 421.990 5.281 0 1 HKAF CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1OC(F)(F)F)CCCCC2 1772575375 UPMQCHLGPVDPOB-UHFFFAOYSA-N 412.433 5.126 0 1 HKAF O=C(Nc1ccc(C2(C(=O)Nc3ccc(F)cc3)CCC2)cn1)c1cccc(Cl)c1 1911576425 SJLTZLFAIZMGBS-UHFFFAOYSA-N 423.875 5.187 0 1 HKAF CCCCCC=CCC=CCCCCCCCCNCCc1c[nH]c2ccccc12 2356338646 AEIDZDAUAKRQJO-UHFFFAOYSA-N 408.674 8.114 0 1 HKAF CC=C(C)C(=O)OCC1=CCC[C@@H]2[C@]1(C(=O)O)CC[C@@H](C)[C@@]2(C)CCc1ccoc1 2356374720 CZUZNUPRGZSCJO-UWBTVBNJSA-N 414.542 5.565 0 1 HKAF CCC=CCC=CCC=CCCCCCCCCCCCCCc1ccc(C=O)[nH]1 2356409325 GACBJWLNOWOUHZ-UHFFFAOYSA-N 411.674 8.910 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC[C@]56C[C@]5(C)C(=O)CC[C@@H]6[C@]4(C)CC[C@@]3(C)[C@@H]2C1 2356434964 LBIQJQUFSJKHIO-IXANCWDYSA-N 424.713 8.211 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 2356493595 YWDSWFAFCJJBJI-KXOVETRDSA-N 420.678 5.410 0 1 HKAF CC1=C[C@H](CN(CC2CC2)CC2CC2)[C@@H](C(C)C)C[C@@H]1Cc1nc2cccc(C)c2[nH]1 2356541042 DTEWDOZBJNXZKU-UBFVSLLYSA-N 419.657 6.390 0 1 HKAF CC=C(C)c1c(Cl)c(OC)c(C)c2c1Oc1cc(O)c(Cl)c(C)c1C(=O)O2 2356717866 XVNAFNBOGQDDHW-UHFFFAOYSA-N 409.265 6.073 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC/C(C)=C/Cn1c[n+](C)c2ncnc(N)c21 201485610 YCSGSEAQYPDNAQ-HFYKSFLZSA-N 422.641 5.363 0 3 HKAF in-vitro O=C(/C=C/C=C(c1cccc(F)c1)c1cccc(F)c1)NCCCCc1cccnc1 1550971 XMGXYXVSTYXTSE-LHHJGKSTSA-N 418.487 5.487 0 1 HKAF CC(C)[C@H](C)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)cc1F 2481956 YRTZVPYIBREDFX-LBPRGKRZSA-N 421.299 6.229 0 1 HKAF Brc1cccc(Br)c1Nc1nc2ccccc2n2cncc12 13441490 KJELRAXBPNVDBX-UHFFFAOYSA-N 418.092 5.151 0 1 HKAF CCc1nc2c(C)cc(C)nc2n1Cc1ccc([C@@H](CC(=O)O)c2ccccc2)cc1 13756106 RSMFWJIZTSRLNS-QFIPXVFZSA-N 413.521 5.265 0 1 HKAF CCCCc1nc2ccc(Cl)cc2c2nc(-c3ccc(Br)cc3)nn12 27204781 SBOUSZPEVGCOIR-UHFFFAOYSA-N 415.722 5.703 0 1 HKAF Cc1ccc(C)c(CO[C@@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 27525362 GETCFTYJLDUJTR-URLMMPGGSA-N 411.589 6.115 0 1 HKAF CC1(C)[C@H]2C[C@@H]1[C@H](/C=C/[C@H](O)COc1ccc(F)cc1)[C@H]2C/C=C\CCCC(=O)O 27554601 FBOACMAKXADYFB-BIYSUBPYSA-N 416.533 5.231 0 1 HKAF O=C(Cc1ccc(Cl)cc1)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1 28570077 NZJIVIZUFHVQRZ-IBGZPJMESA-N 415.345 5.975 0 1 HKAF Cc1ccc(-c2ccc3c(c2)c(CC(N)=O)cn3Cc2cccc(C(F)(F)F)c2)cc1 28888230 ZWCFQNAVZYFJPE-UHFFFAOYSA-N 422.450 5.712 0 1 HKAF COc1cc(O)cc(O)c1C(=O)[C@@H]1[C@H](CC=C(C)C)C(C)=CC[C@H]1c1ccc(O)cc1 28964757 UDUSGBMXZRNBJM-ZFGGDYGUSA-N 422.521 5.717 0 1 HKAF biogenic CCCCC[C@@H]1CC(=O)c2c(c3c(c4c(CCC)cc(=O)oc24)OC(C)(C)C=C3)O1 29133756 ICTIKHSIIHOUII-MRXNPFEDSA-N 410.510 5.844 0 1 HKAF CCN1CCC[C@@H](Nc2nc(Nc3cc(Cl)cc(Cl)c3)c3ccccc3n2)C1 29204026 RAIYCYTYHNFUBO-MRXNPFEDSA-N 416.356 5.576 0 1 HKAF C[C@H]([C@H]1CCC(C)(C)O1)[C@H]1CC[C@H]2C3=CC[C@H]4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 39163369 LEHROQSPPGZPJK-YYYYOOOKSA-N 416.646 5.491 0 1 HKAF O=C(OCc1ccccc1)N1CC[C@H]2C[C@@H]1c1ccc(-c3ccc4c(c3)OCO4)cc12 61924067 MLXPLRFBNSISMA-NZQKXSOJSA-N 413.473 5.653 0 1 HKAF CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1cc(Cl)ccc1Cl 64637936 KJDGJYRSHIMSDB-KRWDZBQOSA-N 407.297 5.298 0 1 HKAF O=C(O)C1CN(Cc2ccc(-c3cc4cc(CCc5ccccc5)ccc4o3)cc2)C1 66098612 XYPTYXXFJCJHBW-UHFFFAOYSA-N 411.501 5.401 0 1 HKAF Cc1cnc(OCCCCC2CCN(C)CC2)cc1-c1nc2ccc(F)c(C)c2[nH]1 68206160 IJLDVUHNWRAAKR-UHFFFAOYSA-N 410.537 5.272 0 1 HKAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccccc3F)n2)C1 82150788 VAHWGYQBAQSRFZ-HDICACEKSA-N 424.564 5.075 0 1 HKAF CCc1cnc(-c2cnc(N3CCCC3)nc2-c2ccc(-c3ccccc3)cc2)s1 82176536 VGAUNEJKDUGMPI-UHFFFAOYSA-N 412.562 6.097 0 1 HKAF O=C1C[C@@H](c2nc(-c3ccc(Cl)cc3)no2)CN1c1ccc(Cl)c(Cl)c1 84688503 LHIIZLLVSPVGMS-LLVKDONJSA-N 408.672 5.217 0 1 HKAF C[C@]1(CCCCCCCCCCCCc2ccccc2)C[C@]2(C)OC(=O)C[C@@H]2O1 96086027 ZACGRLMWLYWKER-RNXOBYDBSA-N 400.603 6.773 0 1 HKAF in-vitro COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccnc(-c2ccccc2)c1 98176761 SWNXCEHTAHZOAO-NRFANRHFSA-N 402.494 5.020 0 1 HKAF C[C@]12CC[C@@H]3[C@]45CCC[C@](C)([C@@H](O)OC4)[C@@H]5CC[C@@]3(C)[C@@H]1Cc1cc(O)ccc1O2 137021068 CZBILTFRGJCVGE-YBKQAGBYSA-N 412.570 5.054 0 1 HKAF CC[C@H](C=C(C)C)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C=C[C@@]21C 238735630 OFSJHZVDJCTSNW-HRJGVYIJSA-N 412.702 7.801 0 1 HKAF C/C=C(/C)[C@H](O)[C@@H](C)/C=C(C)\C=C\C[C@@H](C)/C=C\c1oc(OC)c(CC)c(=O)c1C 238785971 RZWLIPXWCCRKLN-HJZIXHJCSA-N 414.586 6.024 0 1 HKAF C/C=C(/C)[C@H](O)[C@@H](C)/C=C(C)\C=C\C[C@@H](C)/C=C/c1oc(OC)c(CC)c(=O)c1C 238785973 RZWLIPXWCCRKLN-QCEHISEQSA-N 414.586 6.024 0 1 HKAF O=C(OC[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccs1)c1ccc2ccccc2c1 253685006 HKCXATAGMOKJIB-AZINFZMGSA-N 415.558 5.624 0 1 HKAF C/C(=C\C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C)C(C)C 257399923 CTWRZEHGRSDRPG-LOZMPNORSA-N 412.702 7.801 0 1 HKAF endogenous,in-man C[C@@H]1CC[C@]2(NC1)O[C@@H]1C[C@@H]3C(=CC[C@@H]4[C@@H]3CC=C3C[C@H](O)CC[C@]34C)[C@@]1(C)[C@H]2C 257622366 XLQGICHHYYWYIU-ZSJYNUDZSA-N 411.630 5.207 0 1 HKAF C[C@@H]1N=C2C[C@H](c3ccccc3)CC(O)=C2[C@@H](c2ccc(Br)cc2)[C@H]1C#N 299878881 JXDCNOOJZZUDON-DHKPLTOSSA-N 421.338 5.905 0 1 HKAF O=C1c2ccccc2-c2cc(Cc3cc(Cl)cnc3Cl)nc3ccc(O)c1c23 586985068 AAQLNUKTDOLIRK-UHFFFAOYSA-N 407.256 5.444 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC[C@H](NC(=O)OC(C)(C)C)C4)-c1ccccc1C2=O 586996881 QTRYETVCUGLOHT-HNNXBMFYSA-N 414.505 5.137 0 1 HKAF c1ccc(COc2ccc3[nH]c(-c4c(-n5cccc5)sc5c4CCC5)nc3c2)cc1 587032408 JXIBINFPLIPAJJ-UHFFFAOYSA-N 411.530 6.150 0 1 HKAF FC(F)(F)CSc1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)ccn1 587091719 NZOGHHZYYVUSPP-UHFFFAOYSA-N 423.645 5.090 0 1 HKAF O=C1Cc2nc3cccc4c3c(c2[C@@H](c2cccc(Cl)c2)C1)-c1ccccc1C4=O 587104877 YFDBTRQCWGMFKZ-HXUWFJFHSA-N 409.872 5.747 0 1 HKAF Fc1cc2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc2cc1-n1cccn1 587125483 RCXHKALPKYOFNS-QPJJXVBHSA-N 404.392 5.670 0 1 HKAF Cc1cc(Br)c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1F 587138148 XQFMYEBUCKMYRH-UHFFFAOYSA-N 424.142 5.489 0 1 HKAF CCCCCOc1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c2cc1Br 587161592 OPEGLUMWFWYLMM-HZPDHXFCSA-N 417.322 6.305 0 1 HKAF COc1ccccc1Nc1ccccc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587241363 ZSZOFRWMHKITBB-UHFFFAOYSA-N 421.500 6.561 0 1 HKAF C[C@]1(c2c[nH]cc2-c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344207 GOCJPBZVGHTUCC-AOYPEHQESA-N 413.448 5.801 0 1 HKAF CC(C)(O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587349844 GCUARDQAEIWGNT-RCZVLFRGSA-N 406.453 5.033 0 1 HKAF Cc1oc2ccc(O)cc2c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356717 QXOVEQWPSGOEPZ-UKILVPOCSA-N 418.420 5.566 0 1 HKAF COc1cccc(-c2c(Cc3ccc4cnccc4c3)cnc3c2oc2ccccc23)c1 587364231 ZAQFRBDNMCYONZ-UHFFFAOYSA-N 416.480 6.796 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC[C@@H]3c2ccnn2C)c1 587364618 YONRYUPEHICQJH-GOSISDBHSA-N 409.489 5.858 0 1 HKAF COc1cc2c3c(c1)O[C@@]1(C[C@H](c4ccc(F)cc4)Nc4ccccc41)[C@@H](C2)C3=O 587429509 VPFSKXNWPFQAOT-PIBDYAPNSA-N 401.437 5.034 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc(Cl)c(Cl)c1)CC2=O 587463183 VXQFRHHACVQFPO-NRFANRHFSA-N 416.304 6.149 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CN1CCCCC1)(c1cc(C)c(O)c(C)c1)CC2=O 587476581 VQELVOJRQPOAIA-AREMUKBSSA-N 423.553 5.014 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3cccc(C)c3OC)c1)CC2=O 587479000 LPLZDOOYDXGHIN-DEOSSOPVSA-N 402.490 6.035 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccc(C(=O)O)cc3)cc1)CC2=O 587487714 HUPOBQCCMVEFAN-SANMLTNESA-N 416.473 5.591 0 1 HKAF Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587508290 OXLZPZRXIFFEAH-FQEVSTJZSA-N 410.876 5.559 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCSc1cc(F)c(F)cc12 587570844 MFVYILLEMVUPHZ-KNQAVFIVSA-N 412.413 5.023 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12c1ccccc1C=Cc1ccccc12 587604077 QRTCZYLQNZNMBP-VWLOTQADSA-N 418.448 5.781 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccccn2)o1 587611130 FLRHFBSEKISFJN-OFNKIYASSA-N 417.442 5.234 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(Cl)ccc3Cl)c(C(=O)C(F)(F)F)c2c1 587642430 RYUJZSKTZPCZLX-JTQLQIEISA-N 414.254 7.400 0 1 HKAF CCN(CC)c1ccc(-c2nn(CCC3CCCCC3)c(=O)c3ccccc23)c(O)c1 587666050 YTUHXRBMGHXGHI-UHFFFAOYSA-N 419.569 5.586 0 1 HKAF Cc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587677843 JDJYKIYQYRAHNH-BMLIUANNSA-N 413.128 5.283 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cccc2C(F)(F)F)N1 587714152 VFKNPRKOTVLEIO-PWJLMRLQSA-N 422.647 5.884 0 1 HKAF Cc1ccc(F)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1Cl 587715298 BZEWYEASLCZVDS-YPMLDQLKSA-N 400.694 5.487 0 1 HKAF Cc1ccc(/C(=C\N(C)C)[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587756145 QBTAFAKXSKCGET-VLDIDIOLSA-N 403.339 5.075 0 1 HKAF Cc1cccnc1[C@@H]1CCC[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587770003 HKPPGGRESVKWGF-ZSDSOXJFSA-N 403.339 5.379 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC3CCCCC3)nc2)N1 587772089 NIBVVRLQGYZADW-ZSEKCTLFSA-N 419.338 5.318 0 1 HKAF CC[C@H](C)Oc1c(OC)cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587791532 JZEXDICZEFYOQP-MTJIALIYSA-N 422.338 5.398 0 1 HKAF COc1ccc2c(c1)[C@H](C)[C@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810054 SIRHWGHFOLSBEW-BYVOGVQKSA-N 404.323 5.076 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1CC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587810863 DKGOOIIYNJQHCN-JIGPKXGUSA-N 408.399 6.500 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1cccc(Br)c1 587861520 SOOFZECTVYLMSN-UHFFFAOYSA-N 411.221 5.388 0 1 HKAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(Cl)cc(Br)c2[nH]1 587935872 VTUZEHZUTLSAGN-UHFFFAOYSA-N 403.707 5.560 0 1 HKAF c1ccc(CC2CCN(C[C@H]3COC(c4ccccc4)(c4ccccc4)O3)CC2)cc1 653710304 RARIHZNXYDKHDG-MHZLTWQESA-N 413.561 5.258 0 1 HKAF C[S@@](=O)c1ccc([C@H](CC2CCCC2)c2[nH]c3ncccc3c2Cl)cc1Cl 653780442 DKRAUWFHWZEQMO-RKOGDMNLSA-N 421.393 6.319 0 1 HKAF COc1ccccc1[C@@]1(CCc2ccccc2C)c2c(F)cccc2C[C@H]2CCCN21 963102914 NVFFWBZLRSUFEW-LXFBAYGMSA-N 415.552 6.040 0 1 HKAF Clc1ccc2c(c1)CCN[C@@]21CCCc2c1[nH]c1ccc(Br)cc21 963381174 RBAURKLLYJPIDK-FQEVSTJZSA-N 401.735 5.309 0 1 HKAF CC(C)c1ccc([C@]2(C)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1 963819967 ZOGYGKZGFICTDZ-NDEPHWFRSA-N 410.561 6.280 0 1 HKAF Cc1cccc(C)c1NC(=O)N[C@@H](C(=O)N[C@H](C)c1ccccc1)c1ccccc1 1857644580 VSHWEQKPGCAPCD-AUSIDOKSSA-N 401.510 5.044 0 1 HKAF CC(=O)N[C@@H](C)/C=C/c1ccc(Oc2ccc3sc(C(C)C)nc3c2Cl)nc1 1857653014 SWNWQSKUVNWGJQ-GFUIURDCSA-N 415.946 5.798 0 1 HKAF CO[C@@H]1C[C@@H]2[C@H]([C@H](C)C=CC=C(C)C)CC[C@]2(C)C[C@@H]2[C@@H]3C1=CO[C@@H]3C[C@]2(C)O 2356335188 VQNZJDUMTPVGDO-NTDNCCJGSA-N 400.603 5.656 0 1 HKAF C[C@@H]1CC[C@]2(C)CC[C@]3(C)C4=CC[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@H]3[C@@H]2[C@@H]1C 2356565719 IWLJRULODREZBY-XPNFFWRMSA-N 412.702 7.635 0 1 HKAF CN(Cc1cccc(-c2ccncc2)c1)C(=O)Oc1ccccc1Cc1ccccc1 95564585 GSDRXCCLYPRBQI-UHFFFAOYSA-N 408.501 5.970 0 3 HKAF C[C@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(Cl)cc1)Oc1ccccc1-3 3831981 FOPLNUAISVOILB-FATZIPQQSA-N 403.909 6.366 0 1 HKAF c1ccc(C(CCc2nc(CCNCCCc3cccnc3)c[nH]2)c2ccccc2)cc1 13530330 ZHCWUMJMZBXPQU-UHFFFAOYSA-N 424.592 5.334 0 1 HKAF CN1[C@H]2CC[C@@H]1[C@@H](c1cc(-c3ccc(Cl)cc3)no1)[C@@H](c1ccc(Cl)cc1)C2 13532730 WHFIJZLIDVACTG-KPYOPSEVSA-N 413.348 6.382 0 1 HKAF CCCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12 13553417 MTOPYAFHQJAORJ-UHFFFAOYSA-N 417.384 6.267 0 1 HKAF CCCCCN(CC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12 13553421 KMWAEVIXXRLUFC-UHFFFAOYSA-N 405.373 6.267 0 1 HKAF CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@@H](c1ccc(O)cc1O)CC2=O 15205893 WUVGXZKCQBMDDK-HXUWFJFHSA-N 422.477 5.203 0 1 HKAF biogenic CC(C)c1nc(-c2ncn3c2CN=C(c2ccccc2)c2c(Cl)cccc2-3)no1 26386676 LUIGLRPRQJFFEB-UHFFFAOYSA-N 403.873 5.050 0 1 HKAF Cc1ccc(NC(=O)N(CC[C@@H](C)CC(C)(C)C)CC[C@H](C)CC(C)(C)C)c(C)c1 26402861 ZXECXNOJDGKRGR-SZPZYZBQSA-N 416.694 8.062 0 1 HKAF C/C(Br)=C\CC/C(C)=C/CC(C)(C)/C=C/C(=O)N1CCC[C@H]1C(=O)O 28878879 PWFYYMJWMTWMAM-CFZOKOFKSA-N 412.368 5.060 0 1 HKAF COc1cc(OC)c2c(=O)cc(-c3ccccc3Cl)oc2c1CN1CCCCC1 28897088 IJLJEJRINMQLOK-UHFFFAOYSA-N 413.901 5.117 0 1 HKAF CCCN(CCC)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 28903703 MHKDKQZFIQXMFZ-UHFFFAOYSA-N 423.992 5.874 0 1 HKAF CC(=O)Nc1cccc(-c2ccc3c4c(ccc3c2)OC(=O)C[C@@H]4c2ccccc2)c1 29135401 QRYCSHWKLRCCHS-XMMPIXPASA-N 407.469 5.906 0 1 HKAF C[C@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@@H](C)c2ccccc2)c1 29406978 OREMYNOLMRLGSV-UAABGXCFSA-N 403.654 7.767 0 1 HKAF CN[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 36324284 ATUPAULHDXBCOY-QYZOEREBSA-N 417.393 5.775 0 1 HKAF CCn1c(Oc2ccccc2Cl)nc2cnc(Oc3c(F)cccc3F)nc21 40762303 WHORAIBIRABMPJ-UHFFFAOYSA-N 402.788 5.362 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)c1nscc1NCc1ccncc1 40892316 JXTWSRFCNSYYJG-UHFFFAOYSA-N 412.824 5.075 0 1 HKAF O=C1N(CCN2CCC(c3ccc(Cl)cc3)CC2)CCN1c1cccc(Cl)c1 43076008 NCDNWTYTZTXJIU-UHFFFAOYSA-N 418.368 5.115 0 1 HKAF CCCC[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1 49792814 NLMPOLGGLBGXKT-KAYWLYCHSA-N 419.609 6.060 0 1 HKAF Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1Cc1ccccc1 53173678 CNOXIXMPZLKURQ-UHFFFAOYSA-N 422.576 5.629 0 1 HKAF CCCCN(CC)c1nc(NCC2CCCCC2)nc(Oc2ccc(OC)cc2)n1 82066934 MVFUVQKJQDCLLW-UHFFFAOYSA-N 413.566 5.291 0 1 HKAF Cc1ccc(CNc2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccc(F)cc3)n2)o1 82136248 OXIUJFQMXBLLIP-BTYIYWSLSA-N 422.504 5.105 0 1 HKAF CCCCCc1nc(-c2cnc(NCCCOC)nc2-c2ccc(F)cc2)oc1C 82164114 AXIAZBJYJYJNQA-UHFFFAOYSA-N 412.509 5.427 0 1 HKAF Cc1cccc(-c2nc(NCc3cccc(Cl)c3)ncc2-c2nc(C)c(C)s2)c1 82173119 ALTUJYGMXHXPES-UHFFFAOYSA-N 420.969 6.458 0 1 HKAF CC[C@H](C)Cn1c(-c2ccc(C)o2)nc2c(NCCc3ccccc3F)ncnc21 82180839 YZABXRDYIVSNRJ-HNNXBMFYSA-N 407.493 5.235 0 1 HKAF Cc1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)cc1 82219748 BVFNTAMDKADSJP-UHFFFAOYSA-N 424.529 6.448 0 1 HKAF Cc1cccnc1CN1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)C2=O 84704510 UHDZNHKPIFHYEP-UHFFFAOYSA-N 411.549 5.076 0 1 HKAF C/C=C(/C)C(=O)O[C@H]1C=C2C(=O)O[C@@H](c3ccoc3)C[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12 85695730 KNVFODWKKUZNMG-FMFYNYCMSA-N 412.526 5.534 0 1 HKAF Cc1ccc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3nc(C(F)(F)F)nn32)cc1 103529847 ZURQVOTVNMCOCK-JXFKEZNVSA-N 424.426 5.671 0 1 HKAF O=C(Oc1ccccc1)[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 169314051 BTRDJLBCRUKQNT-AYJQYZANSA-N 414.332 5.465 0 1 HKAF C[C@H](c1cc(O)c2c(c1)OC(C)(C)C1=C2CNCC1)[C@H](C)CCCc1ccc(F)cc1 169344089 YRFKEHZPCQKFTM-MSOLQXFVSA-N 423.572 6.212 0 1 HKAF Cc1cccc(Cc2cccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)c2)c1 216051842 OJUKGYKYSNNNSA-UHFFFAOYSA-N 402.925 5.693 0 1 HKAF C[C@H](C(=O)OCCc1ccccn1)c1ccc2c(c1)SC[C@@H]1CCCC[C@H]1C2=O 253638123 MSITXWHXNVQEKN-XKGZKEIXSA-N 409.551 5.066 0 1 HKAF COc1ccc(N2O[C@H](c3ccccc3)C[C@H]2c2ccc(-c3ccccc3)cc2)cc1 254092415 HVZZEQYZTIMZPM-NSOVKSMOSA-N 407.513 6.987 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C)C(C)C 255225290 KZJWDPNRJALLNS-UMTDVVOCSA-N 414.718 8.025 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 261156420 QASMLJURBZXYNW-BWJAHESNSA-N 401.679 6.928 0 1 HKAF CCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Oc1ccccc1Br 473106878 YPVMRGQFTMQCGS-UHFFFAOYSA-N 414.303 5.407 0 1 HKAF C[C@@H]1C[C@@H](C)CN([C@@H]2CCCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)C1 586988911 ZLLDOIWXFDKUMM-WHSLLNHNSA-N 412.533 5.507 0 1 HKAF CCCCc1c(CC(=O)c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991126 JDRADKUVZUJZJP-UHFFFAOYSA-N 421.496 5.920 0 1 HKAF CCOc1cc(CCc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1O 586993239 VTGDHIBDWIRYQX-UHFFFAOYSA-N 411.457 5.041 0 1 HKAF Cc1nc2[nH]c(-c3sc(-c4ccc(Cl)cc4)nc3C)nc2cc1Br 587013687 BHHUFCMVGQCTLL-UHFFFAOYSA-N 419.735 5.781 0 1 HKAF Clc1cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2nc1Cl 587018099 UFUZXTFWJOBCHA-UHFFFAOYSA-N 413.293 5.680 0 1 HKAF Cc1cc(-c2nc3cc(C)c(C)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587058143 DYMFUNAQNIZPNR-UHFFFAOYSA-N 415.928 5.910 0 1 HKAF Cc1ccc(/C=C/c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1F 587146849 YLFHKSVROMJWRZ-SNAWJCMRSA-N 415.184 5.842 0 1 HKAF Fc1cc(C(F)(F)F)c2[nH]c([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2c1 587150627 MRRVYSRVPIXJCQ-IBGZPJMESA-N 422.328 6.167 0 1 HKAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 587160891 HXFFRMWQIPXNDT-NWDGAFQWSA-N 415.184 5.634 0 1 HKAF Cc1nc2[nH]c(/C(=C/c3ccc(F)cc3)c3cccs3)nc2cc1Br 587164638 UOFJCYUHVBLBIR-NTEUORMPSA-N 414.303 5.818 0 1 HKAF CC(C)CCOc1cc2nc(-c3cc(N)cc4ccccc34)[nH]c2cc1Br 587251556 IXVVCDOMUTXIQM-UHFFFAOYSA-N 424.342 6.153 0 1 HKAF COc1cccc(-c2cc(-c3ccc4c(c3)OCCO4)nc3c2oc2ccccc23)c1 587367044 XIMWOIVHJVMVMZ-UHFFFAOYSA-N 409.441 6.095 0 1 HKAF CN(C)c1cccc(Br)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587499750 OPVFVWQJJSZSGG-IBGZPJMESA-N 400.316 5.100 0 1 HKAF O=C1C[C@@H](c2c(F)ccc(Br)c2Cl)Oc2c1ccc1c2CCCC1 587502441 FATDOMNNSXOPFS-INIZCTEOSA-N 409.682 5.827 0 1 HKAF O=C1C[C@@H](c2ccc(Oc3ccccc3F)c(F)c2)Oc2c1ccc1c2CCCC1 587503440 GWAVSHILSUDSRR-DEOSSOPVSA-N 406.428 6.342 0 1 HKAF CCC[C@@]1(c2cn(CC(=O)O)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587515378 LTYGJVYNNYCWQT-SANMLTNESA-N 417.505 5.266 0 1 HKAF CC(C)=CCOc1ccc(CC[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525035 PFBJFXBMLXOGAE-MHZLTWQESA-N 404.550 6.267 0 1 HKAF O=C1CC2(Oc3c1ccc1c3CCCC1)[C@@H](c1ccccc1)CCC[C@@H]2c1ccccc1 587526797 SKLIDWDJJPVNLP-KAYWLYCHSA-N 422.568 7.021 0 1 HKAF CCc1cccc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C(C)(C)C)[nH]c12 587527686 VJYGDJBXXVYUPJ-QFIPXVFZSA-N 401.550 6.613 0 1 HKAF C[C@]1(c2cccc(-c3cccc(N)c3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575105 APAYYXQUAMWOHQ-SHQCIBLASA-N 423.468 5.518 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2cccnc2)cc1 587589242 WNYLVWHUZSCDRS-WIOPSUGQSA-N 411.413 5.282 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc3ccc(Cl)cc23)N1 587692148 AADAUJCVJYQTGQ-OVWNDWIMSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(C(F)(F)F)cccc32)N1 587711629 IBUOJZVVUIHPPZ-YPMLDQLKSA-N 414.240 5.331 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)(F)F)cc2F)N1 587712989 RLKNDMLNFRIHPH-ZKANADHPSA-N 406.192 5.370 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Br)c2F)N1 587725244 CPMHPPPPEFPETG-BCTVWOGZSA-N 417.091 5.113 0 1 HKAF COc1ccc(C)c2c1CCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587804259 AJNNOMDCAIMOKY-YEJXKQKISA-N 404.323 5.019 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](Oc3ccccc3)C2(C)C)N1 587812075 PFDDBNKFYYZRNC-WHIIXXIBSA-N 404.323 5.195 0 1 HKAF C/C=C\[C@]1(C2=C(C)CCCC2(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815212 KSHMBCKOWSSKTK-ZMVVGMJTSA-N 406.383 6.420 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccs3)s2)N1 587849686 VIVSDTNXODVWSE-MGNBDDOMSA-N 408.361 6.002 0 1 HKAF CCOc1ccc(C(=O)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)cc1 587858941 QDPYXKINJPJFIC-UHFFFAOYSA-N 405.281 5.343 0 1 HKAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(C)c(Br)cc3[nH]2)cc1 587933422 NQXXTLSHEJAMII-OAQYLSRUSA-N 407.311 5.823 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c([C@H](c3ccccc3)c3ccc(OC)cc3)nc2c1 587933611 SLNUAJMTZOKDMW-HXUWFJFHSA-N 406.869 5.192 0 1 HKAF Oc1cc(-c2cccc(Cl)c2)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 587945906 TVMAFTVRYJEFBY-UHFFFAOYSA-N 413.807 6.279 0 1 HKAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@](c3ccsc3)(C3CCCCC3)N12 962659013 FCXUVSSJLKCCRG-DQEYMECFSA-N 420.578 5.219 0 1 HKAF COc1c(Cl)ccc([C@@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)c1F 962697867 GSYYUOPWNWSIQN-LRTDBIEQSA-N 409.929 5.254 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(-c3ccccc3C(=O)OC)cc2)N1 962938893 AKPAOHAZQCVWAQ-CLOONOSVSA-N 410.517 5.635 0 1 HKAF CC[C@H](C)C[C@@]1(c2ncco2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962963240 WMBKKTXFHUJAIQ-YCRPNKLZSA-N 408.464 5.025 0 1 HKAF CN1C(=O)C[C@H]2CN[C@@](Cc3ccc(F)cc3)(c3ccc(Cl)cc3)c3cccc1c32 963030428 NSNWOZAIQIWQLT-GKVSMKOHSA-N 420.915 5.019 0 1 HKAF CC1(C)Cc2nc(Cl)cc(Cl)c2[C@]2(C1)c1ccc(F)cc1C[C@H]1CCCN12 963106188 QYARSFNCUBSQJQ-QRQCRPRQSA-N 405.344 5.764 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@]2(C[C@H](C)CC(=O)O)c1ccc(Cl)c(C)c1 963258130 NQFYYXYPXHBCDA-DMZKTXOQSA-N 422.352 5.201 0 1 HKAF ClC1=C(CN2CCN(c3ccccc3)CC2)CCc2nc(-c3cccs3)ccc21 1857533741 AZIQJWUVZLLICH-UHFFFAOYSA-N 421.997 5.528 0 1 HKAF COc1cccc(-c2noc(-c3nn(-c4ccc(Cl)cc4)c4ccccc34)n2)c1 1857542290 ZHPSIBUFAKJCEL-UHFFFAOYSA-N 402.841 5.405 0 1 HKAF O=C(O)c1cccc(NCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)c1 1857545411 WQCKJINGGRWJPO-UHFFFAOYSA-N 401.384 5.595 0 1 HKAF Brc1ccc(COc2ccc(CN[C@H]3C[C@@H]3c3ccccc3)cc2)cc1 1857649570 LCAWZHCRTNAQMI-PKTZIBPZSA-N 408.339 5.674 0 1 HKAF O=C(c1ccc2ccccc2c1)C(F)(F)[C@@H](NCc1ccccc1)c1ccccc1 1857768677 PRQNPTSOILNGAW-DEOSSOPVSA-N 401.456 6.189 0 1 HKAF COc1cc(C)c2c(c1C)CC[C@](C)(CCC=C(C)CCC=C(C)CCC=C(C)C)O2 2356487050 MTGHTKWQBDGLJZ-LJAQVGFWSA-N 424.669 8.595 0 1 HKAF CC1(C)OC(=O)C=C[C@]2(C)[C@@H]1C[C@H](O)[C@]1(C)C3=CC[C@H](c4ccoc4)[C@@]3(C)CC[C@H]21 2356507653 ZPDGIAXQQRWSBB-CAYRXURBSA-N 410.554 5.395 0 1 HKAF C[C@]1(CCCCCCCCCCCCc2ccccc2)C[C@]2(C)OC(=O)C[C@H]2O1 2356540464 ZACGRLMWLYWKER-AFESJLNVSA-N 400.603 6.773 0 1 HKAF CC(=CCCC=C(C)CC[C@@H](O)C(C)(C)O)CCC=C(C)CC[C@@H](O)C(C)(C)O 2356708113 FEBMZCYYLLUVSK-DHIUTWEWSA-N 410.639 5.210 0 1 HKAF COc1cc(O)cc(O)c1C(=O)[C@@H]1C[C@H](c2ccccc2)C=C(C)[C@H]1CC=C(C)C 2356786301 ZUGJZDPPJGJZPY-CEMLEFRQSA-N 406.522 6.012 0 1 HKAF CC(=C[C@H]1CC(=CCCc2ccoc2)CO1)CCC=C(C)Cc1cc(C(=O)O)co1 2356800775 QGDPRQKXOKUEFE-QHCPKHFHSA-N 410.510 6.134 0 1 HKAF CN(C)c1ccc(-c2cc(NC=O)c3ncc(-c4ccc(F)c(Cl)c4)n3c2)cc1 61906284 KAHPNEFPEVGOPX-UHFFFAOYSA-N 408.864 5.095 0 3 HKAF C[C@@]1(Oc2ccc3ccccc3c2)CCN(Cc2ccc(OC(F)(F)F)cc2)C1 61927981 BKKBKFJOZSXWAH-JOCHJYFZSA-N 401.428 5.782 0 3 HKAF Cc1cc(Br)cn2c(Cc3ccccc3)c(-c3cccc(Cl)c3)nc12 95566498 ZVFULIMYPHLMJN-UHFFFAOYSA-N 411.730 6.316 0 3 HKAF CC(C)CCNC(=O)c1c(-c2ccccc2F)noc1-c1cccc2ccccc12 2483200 ITOIVLWWWFSQNA-UHFFFAOYSA-N 402.469 6.077 0 1 HKAF O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2cccnc2)n1 13534765 XFMAKVCFFOHWFZ-UHFFFAOYSA-N 410.260 5.606 0 1 HKAF Cc1c(-c2ccc(O)cc2)n(CCCCCNCc2ccccn2)c2ccc(O)cc12 13649982 XXYFIXRTRMQVFM-UHFFFAOYSA-N 415.537 5.383 0 1 HKAF CC(C)c1ccccc1S[C@H]1C(=O)CC(c2ccccc2)(c2ccccc2)OC1=O 13766544 UZZMKSIQOLYPDK-DEOSSOPVSA-N 416.542 5.731 0 1 HKAF CC(C)[C@](C)(O)CCCCCCCCCCCCCc1cc(=O)c2ccccc2[nH]1 14447961 YWFRYNMHYMAQLJ-HHHXNRCGSA-N 413.646 7.159 0 1 HKAF biogenic,in-vitro COc1ccc2ccc(=O)oc2c1CCCCCCCCCCCCCCCO 14455412 GAFCEDRDPSKJNJ-UHFFFAOYSA-N 402.575 6.408 0 1 HKAF biogenic CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@](C)(C[C@@H](O)C3=CC(=O)O[C@H]3O)CCC[C@]12C 26974442 JSDANYFQRXTLHP-UDARPAOMSA-N 406.607 5.224 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@@H](C)C[C@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 27303121 DHZJVHCWDITFSE-PSXIALOXSA-N 401.679 6.832 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H]1COC(C)(C)O1 28710843 ZWEJNTPCOYFONY-LRGPLKKISA-N 418.618 6.827 0 1 HKAF FC(F)(F)Oc1ccc(C2=NC[C@H](c3ccccc3OC(F)(F)F)N2)cc1Cl 28948597 UUFPWPUPPVEDSS-GFCCVEGCSA-N 424.728 5.228 0 1 HKAF CCN1CCN(Cc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2Cl)CC1 40952824 RMYFRGYSVISRAH-UHFFFAOYSA-N 415.368 5.423 0 1 HKAF CC(C)CCN1CCCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)CC1 45323308 NBLINXUUVWXQMT-UHFFFAOYSA-N 413.993 5.146 0 1 HKAF CCc1ccccc1[C@@H](Nc1ccc(Cl)cc1Cl)C(=O)CCc1ccncc1 52595169 OJWXKYOAQVCOLF-HSZRJFAPSA-N 413.348 6.306 0 1 HKAF C[C@@H]1[C@H]2[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC[C@H]1C 64624100 OOTXFYSZXCPMPG-BMYLZFHVSA-N 412.746 9.134 0 1 HKAF in-vitro CCOc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(CC)c2ccccc21 68588117 UXMOSFCDANTQEI-MSVKLTOBSA-N 423.512 5.046 0 1 HKAF biogenic CC1=Nc2ccc(Cl)cc2[C@@H](c2ccccc2)N1Cc1cccc(C(F)(F)F)c1 72123298 SELVWNQMRSZBJI-JOCHJYFZSA-N 414.858 7.014 0 1 HKAF CC[C@H](C)Nc1ncc(C(=O)NCc2ccccc2Cl)c(-c2ccc(F)cc2)n1 82141230 PAPZLAMGFXSZRU-AWEZNQCLSA-N 412.896 5.077 0 1 HKAF CC[C@H](C)Cn1c(-c2cccs2)nc2c(NCCc3ccccc3F)ncnc21 82180867 ZDZZHNCPDIOZFQ-HNNXBMFYSA-N 409.534 5.395 0 1 HKAF O=C(NCc1ccccc1)[C@@H]1CCCN1c1nc(-c2ccc3ccccc3c2)cs1 82192019 RFALPALLAWMIQF-QHCPKHFHSA-N 413.546 5.249 0 1 HKAF CCCC[C@H](Nc1nc(-c2ccc(F)cc2)cs1)C(=O)NCc1ccc(C)cc1 82195585 BVUXFQAEERSUNR-FQEVSTJZSA-N 411.546 5.545 0 1 HKAF OC[C@H]1CCN1CCc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 96273980 XJUWZZHSBDVTOQ-HSZRJFAPSA-N 415.562 5.316 0 1 HKAF CC[C@@H](C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccncc1 100703389 UGVLSVWFYFCTNY-WBMJQRKESA-N 410.543 5.318 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccc(Cl)s2)C[C@H](c2cccs2)C1 103948702 DTXXVTJNMRQJTK-LAJNKCICSA-N 412.967 7.092 0 1 HKAF Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)s1)OC(F)(F)O2 114459125 RDEZKOZGESAEAJ-UHFFFAOYSA-N 409.360 5.576 0 1 HKAF O[C@H](c1ccccc1)c1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1 116286002 FLRVREFLPLXHCL-AREMUKBSSA-N 410.904 6.403 0 1 HKAF Cc1cccc(C)c1COc1ccc2c(-c3ccc(CO)cc3)cc(C(=O)O)cc2c1 143915195 WRLDRVNAKVVTKN-UHFFFAOYSA-N 412.485 5.893 0 1 HKAF O=C(OC[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc2ccccc2c1)c1ccccc1 169368777 JTWKFTQCKFYFJH-RBMFTICVSA-N 409.529 5.563 0 1 HKAF N#Cc1ccccc1Cc1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1 216052115 XFGMGJNOUXQHDJ-UHFFFAOYSA-N 413.908 5.256 0 1 HKAF Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1 220642930 JENDIFUUBSMNTQ-UHFFFAOYSA-N 423.463 5.084 0 1 HKAF Cc1cc(-c2nc3cc(Br)ccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586879935 VDASYJYFYCIKLA-UHFFFAOYSA-N 407.267 5.666 0 1 HKAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 586918607 ZFJQTKHMNVTACH-FNZWTVRRSA-N 412.489 5.358 0 1 HKAF O=C1CCc2cc3nc(-c4csc(-c5cccc(Cl)c5Cl)n4)[nH]c3cc2N1 587015323 MDUCTYOSLZVMPD-UHFFFAOYSA-N 415.305 5.545 0 1 HKAF Clc1ccc(Cl)c(-c2ccc(-c3nc4cc(Oc5ccccc5)ccc4[nH]3)o2)c1 587052066 XCAZCPWZIFTLTD-UHFFFAOYSA-N 421.283 7.589 0 1 HKAF Oc1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)c(Cl)c1 587057437 WNFRYXSPLKGEDR-UHFFFAOYSA-N 402.473 5.114 0 1 HKAF COc1cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1OC 587069469 DLDSRGSTZDXMIZ-DHZHZOJOSA-N 420.896 5.983 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc3c(cc2[nH]1)OCCO3 587072692 UWLHHWGHGPASCT-MPXKQHOUSA-N 415.320 6.007 0 1 HKAF Cc1ccc(NC(=O)[C@H](N=O)c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(C)c1 587104903 WSVSLPAOTOOEMR-XMMPIXPASA-N 421.456 5.509 0 1 HKAF FC(F)(F)c1cc(CCc2nc3ccc4c(c3[nH]2)CCCC4)cc(C(F)(F)F)c1 587110585 BSVPHQFKRXJGEL-UHFFFAOYSA-N 412.377 6.265 0 1 HKAF Fc1cc(F)c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1Br 587136349 OWYVOHVVRQLYDL-UHFFFAOYSA-N 417.278 6.422 0 1 HKAF Fc1ccc(F)c(SCc2cccc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c2)c1 587140638 FFKQILPSDFLUDA-UHFFFAOYSA-N 420.406 6.819 0 1 HKAF C[C@H](CSc1ccc(F)cc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587169844 BWOPVFBUDCVIGE-SECBINFHSA-N 409.280 5.059 0 1 HKAF COc1ccc(C)cc1NCCCc1nc2cc(Cl)cc(Br)c2[nH]1 587228573 SWCAULPLHTWXGG-UHFFFAOYSA-N 408.727 5.341 0 1 HKAF CC(=O)SC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587369689 NPMCMNLOGZLLKN-ISKFKSNPSA-N 422.477 5.065 0 1 HKAF COC(=O)c1cc(-c2cccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)ccc1F 587380994 DUNGPNKUMWMGIX-RUZDIDTESA-N 419.452 5.051 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1[nH]c1ccc(C4CCCCC4)cc31)O2 587397093 RVWIMDWGOZGRQY-HHHXNRCGSA-N 414.549 6.303 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4ccc(Cl)cc4OC)cc1)[C@@H](C2)C3=O 587420696 QSBFEOMKLLZNJJ-NBGIEHNGSA-N 420.892 5.687 0 1 HKAF CCCOc1cc(Cl)c([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OC 587459211 GXTDYBIQHCGEQF-LJQANCHMSA-N 404.890 5.502 0 1 HKAF O=C1C[C@@](c2ncc(-c3ccco3)[nH]2)(c2ccco2)Oc2c1ccc1c2CCCC1 587522916 FNONUQAKDYBANF-DEOSSOPVSA-N 400.434 5.051 0 1 HKAF Cc1ccc(Nc2nc(Cl)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1 587535448 KVUJKCSJEXAPFM-IBGZPJMESA-N 424.953 6.434 0 1 HKAF Nc1nc2c(s1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C[C@@H](c1ccccc1)C2 587537948 LZNLZZBDCHNHFY-SSOJOUAXSA-N 416.546 5.195 0 1 HKAF C[C@]1([C@@H]2C[C@H]2c2c(F)cccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554714 DWVSJXAECCLLLR-RZIHXOQCSA-N 424.855 5.709 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCCC2)cc1 587598090 WCWZRFMMBIPIJV-RDGATRHJSA-N 401.462 5.085 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3O)c(C(=O)c3ccc(Cl)cc3)c2c1 587640777 JFISDSOJEGNAQG-OAHLLOKOSA-N 403.909 6.938 0 1 HKAF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C(F)(F)F)c1 587710087 FHGGUFJADKZMRT-VVVCHXIZSA-N 418.228 5.239 0 1 HKAF Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1C(F)(F)F 587710303 FVJVVMPPPKRESS-ADLMAVQZSA-N 416.256 5.713 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)cc2C(F)(F)F)N1 587714081 UOLOVJCCGCGNHZ-ZKANADHPSA-N 422.647 5.884 0 1 HKAF COc1ccc(Cl)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F 587718553 NIRYNBNKQDAOIY-WNWIJWBNSA-N 402.666 5.013 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccncc3)cc2)N1 587776874 DZESGZJXOWUMKD-RCDICMHDSA-N 411.318 5.448 0 1 HKAF COC(=O)c1cc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2cc1OC 587785195 YKXCPJCDJCHKDE-JLHYYAGUSA-N 414.461 5.108 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)CCC[C@]31N[C@H](C)Cc2ccc(F)c(Br)c21 587801228 DXGYVJBBKQHNOV-MCMMXHMISA-N 413.334 5.492 0 1 HKAF Cc1cc(C)c2[nH]c3c(c2c1)CC[C@]31N[C@@H](C)Cc2cc(Br)c(F)cc21 587804704 RZRDIRHROCUKKQ-WHEQGISXSA-N 413.334 5.410 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccsc3)s2)N1 587852756 ILPGRTIYAOPSFW-JDNHERCYSA-N 409.349 5.397 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C1CCN(Cc2ccccc2)CC1 587864338 XSDFWBULKZKTJN-UHFFFAOYSA-N 415.459 5.415 0 1 HKAF COc1cccc([C@H](C)Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1 587931147 MGKBWVTWTDGDAF-CQSZACIVSA-N 417.347 5.715 0 1 HKAF CCc1ccc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2c1 587949724 ZKGXHOQIMCFJMY-YIGJPRQDSA-N 404.554 6.410 0 1 HKAF C[C@@H](COc1c(Cl)cccc1Cl)NCc1ccc2c(c1)C(C)(C)NC2(C)C 653753969 DEHIGXJKBDOGSO-AWEZNQCLSA-N 407.385 5.624 0 1 HKAF Cc1ccc([C@]2(CCc3c(C)cccc3C)NCCc3nc4ccccn4c32)c(C)c1 962987423 LPMCLRIPQRWUBV-NDEPHWFRSA-N 409.577 5.590 0 1 HKAF Cc1ccccc1[C@@]1(c2cccs2)c2ccsc2CCN1Cc1cccnc1 963017280 WGTXWTIKMMQTTE-DEOSSOPVSA-N 402.588 5.863 0 1 HKAF COc1cc2c(cc1OC)[C@@H]1Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N1CC2 1772608633 OPYGFRDPWJRCFO-HOFKKMOUSA-N 410.517 5.430 0 1 HKAF Cc1cc(-c2nc(-c3ccc(C)c(OCC(C)C)c3)n3c2CCO[C@H](C)C3)cc(C)n1 1772621860 OCLIFIAIDPBICH-HXUWFJFHSA-N 419.569 5.533 0 1 HKAF c1ccc(-c2nc3sc4ccccc4n3c2COCCCCCn2cncn2)cc1 1857637671 UDTKKFBRVFUYNQ-UHFFFAOYSA-N 417.538 5.195 0 1 HKAF FC(F)(F)Oc1ccc(Oc2ccc(CN3CCC4(CCCO4)CC3)cc2)cc1 1857766634 NKNDHCLBWOAMPJ-UHFFFAOYSA-N 407.432 5.523 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@H](C)[C@@H]21)C(C)C 2356525167 VAXPLJSKWWBBMD-BOZXIXCBSA-N 410.686 7.865 0 1 HKAF CCc1nc2c(n1[C@H](CC)C(C)C)C(=O)N(C)CN2c1ccc(Cl)cc1Cl 13582800 HDCVSQRGVFDJIL-OAHLLOKOSA-N 409.361 5.541 0 1 HKAF C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 13863343 UCMILSOOKJGCGG-OPAMFIHVSA-N 410.901 5.718 0 1 HKAF COC(=O)c1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F 14965219 ARZDBTKIMHITPH-UHFFFAOYSA-N 414.358 5.095 0 1 HKAF O=S(=O)(c1nc(-c2cccc(Cl)c2)c(-c2ccccc2)[nH]1)C(F)(F)C(F)F 28221505 UJAPBJMQOKTSSK-UHFFFAOYSA-N 418.799 5.029 0 1 HKAF Fc1ccc(OCCn2c(CC(F)(F)F)nc3cc(Cl)c(Cl)cc32)cc1 28817759 GETFDWBHJFFWOG-UHFFFAOYSA-N 407.194 5.666 0 1 HKAF CC1(C)C(=O)C=C[C@]2(C)[C@@H]3CC[C@@H]4[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 38559336 WYBNDXYXXYAQPY-VVBAWIGMSA-N 412.614 6.112 0 1 HKAF CC12CC3CC(C)(CC(C1)C3NC1CCN(Cc3ccc(Cl)cc3F)CC1)C2 40395628 BGSDICWSHGFKQU-UHFFFAOYSA-N 405.001 5.638 0 1 HKAF OC[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1 40405536 RIAAYAPATINFFJ-XRKRLSELSA-N 418.540 5.578 0 1 HKAF CCCCCC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 40423799 HUOUANHERWMMJH-UHFFFAOYSA-N 419.396 5.807 0 1 HKAF CCCCCCc1c2[n+](cc3cc(OC)c(OC)cc13)CCc1cc3c(cc1-2)OCO3 40864129 QMRKZLRJIROMCD-UHFFFAOYSA-N 420.529 5.219 0 1 HKAF OC1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccc(F)cc12 40865453 CYOBJTAQBGDFGU-AQKKSAQBSA-N 420.311 5.893 0 1 HKAF CCN(CCCN1CCCCC1)c1cc(C)nc(Nc2cccc(C(F)(F)F)c2)n1 45226597 KIWWDWGKMUZGDS-UHFFFAOYSA-N 421.511 5.250 0 1 HKAF CCCCCc1ccc(C(=O)NCCCCNc2ccnc3cc(Cl)ccc23)cc1 45298607 WFTIOHIQUUBLOK-UHFFFAOYSA-N 423.988 6.243 0 1 HKAF COc1ccc(-c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1CN1CCCC1 45335065 KARWQDIMYMGKSA-UHFFFAOYSA-N 420.940 5.864 0 1 HKAF Cc1cn(-c2ccc(Nc3nc4c(s3)CCC[C@@H]4c3ccccc3)cc2O)cn1 73196303 NMEDFVVNIWNBMW-GOSISDBHSA-N 402.523 5.555 0 1 HKAF CC[C@H](C)Cn1c(-c2ccccc2)nc2c(NCCc3ccccc3F)ncnc21 82180574 NBDCBQHRXNMSRR-KRWDZBQOSA-N 403.505 5.333 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NC3CCCCCC3)ncnc21 82189386 UVLNUKDAQWJNTJ-MRXNPFEDSA-N 411.981 6.328 0 1 HKAF O=C(N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)[C@@H](c1ccccc1)C1CCCCC1 84668438 BYTHRKRURWLFHM-RAVGUYNFSA-N 416.609 5.377 0 1 HKAF Cc1cc(C)c(-n2c(SCC(=O)Nc3ccccc3)nc3cccnc32)c(C)c1 84739405 QJBOYARENZINGD-UHFFFAOYSA-N 402.523 5.077 0 1 HKAF COc1ccccc1-c1nc2cc(C)ccc2n1Cc1cc(OC)c(OC)c(OC)c1 95553627 BOCYDKUJDBGHER-UHFFFAOYSA-N 418.493 5.094 0 1 HKAF COc1cc(Sc2c(-c3ccc(C)cc3)[nH]c3ccccc23)cc(OC)c1OC 95593937 VJSNOCIBHJYBQS-UHFFFAOYSA-N 405.519 6.320 0 1 HKAF CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(OC(C)C)cc1 104690625 ZSRKLDNJDGKBJY-VWLOTQADSA-N 418.537 6.286 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1nc(-c2ccccc2)no1 118921590 OSOOSNLZVMIWBL-QOGDKHJUSA-N 418.581 6.144 0 1 HKAF CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137541155 PRKPDIRLXGMLSU-CROLPXOESA-N 400.691 7.491 0 1 HKAF Cc1nc2ccc(F)cc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O 169335808 SSGPKOKMTYJTES-FQEVSTJZSA-N 401.865 5.944 0 1 HKAF Cc1ccc(-c2ccc([C@@H](C)Nc3nc(-c4ccccc4C(C)C)ncc3C)cc2)cn1 169340345 FOFTUNOXLMTDLT-OAQYLSRUSA-N 422.576 7.119 0 1 HKAF COc1cc(N[C@@H](C)CCCN)c2nccc(C)c2c1OCCCc1ccccc1 200029045 PZHIWFDTWSOOPZ-IBGZPJMESA-N 407.558 5.103 0 1 HKAF c1ccc2c([C@@H]3CC[C@@H](c4c[nH]c5ccccc45)c4c3[nH]c3ccccc43)c[nH]c2c1 225703415 USQYRNLWYOFECX-PMACEKPBSA-N 401.513 7.188 0 1 HKAF CC(C)CC(=O)OC[C@@H]1CCC([C@]2(C)CCCC(C)(C)C2)=C2C[C@@H]3C(=O)O[C@@H]3[C@H]21 238736889 FXZDZTGFFKXNJM-DKWMSVJJSA-N 402.575 5.450 0 1 HKAF CCOC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(-c3ccc(-c4ccccc4)n3C)cc1)N2 253638087 LXPFIHFWVCMHFG-WOLJRWFJSA-N 414.549 5.146 0 1 HKAF CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255261413 QQQDIFUKWMHWBE-BQFCQYIHSA-N 404.635 5.986 0 1 HKAF Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1 299838816 WBBAPMUEBOCQHN-UHFFFAOYSA-N 412.581 6.874 0 1 HKAF O=C(O)c1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cc1F 586974741 GUDGFIUPPXGWPE-UHFFFAOYSA-N 404.022 5.137 0 1 HKAF FC(F)(F)c1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cc1Cl 587007882 UOKFZJFCYQNSGH-UHFFFAOYSA-N 415.600 5.312 0 1 HKAF Cc1ccc(-c2nc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)c(C)s2)cc1 587013007 GFXQXUAAUZEIHZ-UHFFFAOYSA-N 412.356 6.350 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Cl)cc(C)c3[nH]1)N2 587030435 DYNARTPXVQQVHH-DKTFCQPKSA-N 418.975 5.652 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587034515 NYWCQLHOICHGOL-CYBMUJFWSA-N 418.444 5.463 0 1 HKAF O=C1CCc2cc3nc(CCN4c5ccccc5Sc5ccccc54)[nH]c3cc2N1 587039146 ARFORXWBERQFHM-UHFFFAOYSA-N 412.518 5.293 0 1 HKAF COc1cc(/C=C/c2nc3ccc(Cl)c(C)c3[nH]2)cc(Cl)c1OCC(C)C 587046852 NKAJKOSUWYANGG-VMPITWQZSA-N 405.325 6.392 0 1 HKAF Cc1c(Br)cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1C 587052220 YSTVJHLOUCICIW-MNOVXSKESA-N 410.142 6.520 0 1 HKAF CCc1cc(OCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)ccc1Cl 587052458 BHMZKKCZTWXUPJ-UHFFFAOYSA-N 405.203 5.910 0 1 HKAF FC(F)(F)Oc1cccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587068860 AWUMHRNTHDRCPO-UHFFFAOYSA-N 418.802 6.361 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc3c(cc2[nH]1)OCO3 587071344 KHUBHMRHFLEXIO-ITIWZEATSA-N 401.293 5.965 0 1 HKAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(Br)cccc2[nH]1 587077079 QKEZJVLGECYIEA-UHFFFAOYSA-N 400.663 5.413 0 1 HKAF Cc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1Br 587080919 VKKAWRCIDJEAPK-AWEZNQCLSA-N 403.711 5.011 0 1 HKAF FC(Br)(Br)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587087325 OKGVNZJVXFYGRU-UHFFFAOYSA-N 416.113 5.584 0 1 HKAF O=C1c2ccccc2-c2c(Cc3cccc(SC(F)(F)F)c3)cnc3cccc1c23 587104055 QPCTUTYBKWCFSM-UHFFFAOYSA-N 421.443 6.649 0 1 HKAF FC(F)(F)c1ccc(Oc2ccc(-c3nc4c(S)nc(S)nc4[nH]3)cc2)cc1 587113245 UOCGDVGKLODQTH-UHFFFAOYSA-N 420.441 5.408 0 1 HKAF Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cccc(F)c3[nH]2)cc1 587166106 STKMKNOKPOMRHV-UHFFFAOYSA-N 401.420 5.179 0 1 HKAF Fc1ccc(-c2cn3c(Cc4nc5ccc(C(F)(F)F)cc5[nH]4)csc3n2)cc1 587166113 MPOJZNVDUONPBC-UHFFFAOYSA-N 416.403 5.688 0 1 HKAF Clc1cc2nc(SCc3cc4c5c(cccc5n3)CC4)oc2c2ncccc12 587216793 MNVSOHAIVOKLCC-UHFFFAOYSA-N 403.894 5.969 0 1 HKAF Cc1cc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2cc1Cl 587229903 LJWRDWALNHOZPS-UHFFFAOYSA-N 412.921 5.489 0 1 HKAF Fc1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c1Br 587232141 LDYBPGLTRPGRFE-UHFFFAOYSA-N 400.251 5.014 0 1 HKAF CCOC(=O)[C@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C[C@H]1C 587363735 UAQNYZNQPCHWCY-BEFAXECRSA-N 415.489 5.571 0 1 HKAF COc1cccc(-c2cc(-c3cnc4ccsc4c3)nc3c2oc2ccccc23)c1 587366736 PVFCUJRPJWCBPF-UHFFFAOYSA-N 408.482 6.933 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(C(C)(C)C)ccc21 587406471 HRUSQJGRMFEDQJ-HHHXNRCGSA-N 411.501 5.328 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1ccc(C)cc1)[C@@H](C2)C3=O 587432442 OSSSDMWTEWZSAA-IDISGSTGSA-N 422.484 5.345 0 1 HKAF COc1ccc([C@@]2(c3cccc4ccccc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587443374 PTRYZVJFCNTSHK-YWEHKCAJSA-N 422.480 5.548 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3ccccc3)cc1)CC2=O 587476298 BASBDERDPLGTQJ-AREMUKBSSA-N 402.490 5.804 0 1 HKAF O=C1C[C@@]2(C[C@@H](c3ccc(F)cc3)Nc3ccccc32)Oc2c1ccc1c2CCCC1 587502170 BSDDGVLAVFIGMH-RPLLCQBOSA-N 413.492 6.122 0 1 HKAF C[C@H](Oc1ccc(Cl)cc1Cl)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587503866 GZTLAGIQJFKTJI-XMHCIUCPSA-N 405.321 6.064 0 1 HKAF Cc1[nH]c2c(C)cccc2c(=O)c1CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587524149 JICBLBFLECWLOA-HHHXNRCGSA-N 415.533 5.380 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(Cl)c(Cl)c1 587541892 GOPKBDPFXPTEJU-OXQOHEQNSA-N 421.663 6.055 0 1 HKAF COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(F)(F)F)cc1 587621906 OMAGKZGKCAFHCB-UHFFFAOYSA-N 410.193 5.501 0 1 HKAF COc1cc(Cl)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587691008 AZNJBXZGOKYQCS-WNWIJWBNSA-N 419.121 5.527 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ccc3ccncc23)N1 587699928 SZZAPKIPHAUONJ-GIGQVBGESA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2C(F)(F)F)N1 587712834 QYQOIJAOLZFIMV-PWJLMRLQSA-N 406.192 5.370 0 1 HKAF Cc1noc(-c2ccccc2)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587798798 WDPQSFGUIPZVMB-WYRIXSBYSA-N 401.279 5.175 0 1 HKAF CCOc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCC)c1 587802098 PWOSSPSIJSPALU-LRTDBIEQSA-N 422.338 5.183 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(OCc3ccccc3)CC2)N1 587809675 JBNQKFIVHWNLBO-DBXLBAIQSA-N 418.350 5.477 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccc(C(C)(C)C)cc2)N1 587818784 JODLJECSMSUJCJ-IFXJQAMLSA-N 404.367 6.094 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ccsc3)n2)N1 587851685 ILWMATWMOZLQEA-XXFAHNHDSA-N 409.349 5.397 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1cccc(C)c1 587859230 TWPWIDZTEHBKCM-CQSZACIVSA-N 419.308 5.672 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2c(C)cc(C)cc2s1 587864680 SAWYAVKCKGXAFT-UHFFFAOYSA-N 403.429 5.793 0 1 HKAF COc1ccc(-c2ccc(-c3nc4c(Br)nccc4[nH]3)cc2)cc1OC 587929516 VXLZGFPRWDWFOH-UHFFFAOYSA-N 410.271 5.072 0 1 HKAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(F)c(Br)c4[nH]3)c2)c1 587932736 PYKWIFQCGFSCHR-UHFFFAOYSA-N 413.246 5.513 0 1 HKAF COc1ccc2c(c1OC)[C@@H](c1csc(-c3ccccc3Cl)n1)N(C)[C@H](C)C2 962616001 AVZWIUIEWVURCA-ZUOKHONESA-N 414.958 5.447 0 1 HKAF C[C@@]1(Cc2ccc(Cl)cc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962636696 OHMULDDCMCRGPT-AZGAKELHSA-N 402.969 5.545 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)CCC[C@@]31c2cccc(F)c2CCN1[C@H]1CCSC1 962713330 RGOCHZCXARLRAR-SSOJOUAXSA-N 406.570 5.559 0 1 HKAF CC(C)c1nn(C)c2c1[C@@](CSc1ccccc1)(c1ccc(Cl)cc1)NCC2 962922111 VNNMXYMKIUGTPW-HSZRJFAPSA-N 412.002 5.379 0 1 HKAF Clc1ccccc1[C@]1(c2ccsc2)c2ccsc2CCN1Cc1cccnc1 963000950 XTJNZVLCDTVQFV-HSZRJFAPSA-N 423.006 6.208 0 1 HKAF Cc1c([C@@H]2NCCc3cccc(Cl)c32)c2ccccn2c1CCc1ccncc1 963390639 LYMBLWHAMZFDIM-VWLOTQADSA-N 401.941 5.316 0 1 HKAF COc1ccc(-n2c(C)c(C)c([C@@H]3N[C@H](C)Cc4c(OC)ccc(OC)c43)c2C)cc1 963610412 PJSMZYZWWJFLRX-WZQKQDCOSA-N 420.553 5.052 0 1 HKAF O=C(O)c1ccc(-n2nc(Oc3c(Cl)cccc3Cl)c3ncccc32)cc1 1772596048 DHVQTRGMOOSUIR-UHFFFAOYSA-N 400.221 5.218 0 1 HKAF Cc1cc(-c2nc(-c3ccc(C(F)F)c(Cl)c3)n3c2CCO[C@H](C)C3)cc(C)n1 1772644554 KKDJXCRUDBAQGK-CQSZACIVSA-N 417.887 5.781 0 1 HKAF C[C@H]1N(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CC1(C)C 1772651388 IGURXAMRRWYRLR-CYBMUJFWSA-N 415.415 5.311 0 1 HKAF COc1cc(-c2c(C)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)ccc1O 1857607749 OUCSAIWSGDPESV-UHFFFAOYSA-N 423.472 5.046 0 1 HKAF CCC=CCC=CC=C[C@@H](O)CC=CCCCCC(=O)c1c(O)cc(O)cc1O 2356380504 IOUZORJQGVEPBC-LJQANCHMSA-N 400.515 5.322 0 1 HKAF CC=C(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356585337 MMFZLVUIFVOBLE-PYYRWUFESA-N 412.702 7.945 0 1 HKAF CCC=CCC=CCC=CCC=CCC=CCC[C@@H]1C(=O)O[C@H](C)[C@H]1OC(C)=O 2356618840 LFCWALIIPYISGL-YFNKSVMNSA-N 400.559 6.011 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@](C)(CCC(C)=CC(=O)O)[C@H]2CCC=C(C)[C@]12C 2356776511 XEAOZVIWAIPENF-PQUKWSIESA-N 402.575 6.084 0 1 HKAF COc1ccc(Cc2c(C3CCCCC3)nc3ccc(Br)cn23)c(C)c1 95604078 OUUHLFNMJSJIRC-UHFFFAOYSA-N 413.359 6.052 0 3 HKAF CCOc1cccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)NC2CCCCC2)c1 773990 LHKBNPZRJCZZRP-UHFFFAOYSA-N 420.509 5.478 0 1 HKAF C[C@@H]1CCCC[C@H]1NC(=O)c1cccnc1SCc1cccc(Br)c1 3021368 UZQRVIQYASHRIT-RDTXWAMCSA-N 419.388 5.445 0 1 HKAF COc1cc(O)c(C(=O)CCc2ccccc2)c2c1[C@@H]1C[C@@H](C(C)C)C=C[C@@]1(C)O2 13308443 HQPBWCKPGXUXIH-LZJCXSABSA-N 406.522 5.683 0 1 HKAF biogenic O=C(O)CCc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1 13554026 QVBIPKPYYKRQAH-UHFFFAOYSA-N 408.497 6.617 0 1 HKAF CN1[C@H]2CC[C@@H]1[C@@H](COC(c1ccccc1)c1ccccc1)[C@@H](c1ccc(F)cc1)C2 13559882 KHRLEZKJOSUGEB-YYGZZXRFSA-N 415.552 6.198 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C 13738011 NBDZRRNRSXXKMK-UHFFFAOYSA-N 424.585 7.501 0 1 HKAF COc1ccc([C@H]2COc3cc(O)c(CC=C(C)C)c(O)c3C2=O)cc1CC=C(C)C 14780920 NYKUNEKGAYOKPN-HXUWFJFHSA-N 422.521 5.483 0 1 HKAF biogenic O[C@H](CNCc1ccccc1OCc1ccccc1)c1cccc(C(F)(F)F)c1 14966754 ONZHLZFZUVGRCW-OAQYLSRUSA-N 401.428 5.108 0 1 HKAF CC[C@@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4ccc(C)cc4)oc3C)ccc21 28563439 PVTZPAMEGKOLDH-FYYLOGMGSA-N 419.521 5.721 0 1 HKAF CCC(CC)(c1ccc(OC(=O)N2CCCC2)cc1)c1ccc(N(C)C(C)=O)cc1 28950172 ASWJYFMZSKEAGD-UHFFFAOYSA-N 408.542 5.370 0 1 HKAF Cc1c(C)c2c(c(C)c1OCC(=O)O)CC[C@](C)(CCC[C@@H](C)CCCC(C)C)O2 45256811 BLQQGBFYXXLNBL-QYBDOPJKSA-N 418.618 6.792 0 1 HKAF COc1cc(Cl)cc(CSCCNC(=O)c2c(Cl)cccc2Cl)c1 49808084 BGCSVECLCGKCCJ-UHFFFAOYSA-N 404.746 5.319 0 1 HKAF CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(CCc3ccccc3)ccc21 58541877 NMJZDFFOZAPXQB-MHZLTWQESA-N 403.541 5.727 0 1 HKAF COc1ccc(-c2cnc(-c3cnc(N4CCCC4)nc3-c3ccco3)s2)cc1 82165635 MSPZHLPBAXXFPG-UHFFFAOYSA-N 404.495 5.136 0 1 HKAF Cc1ccccc1-c1nc(NCc2cccc(Cl)c2)ncc1-c1nc(C)c(C)o1 82177327 FLTDANMCWSKZTN-UHFFFAOYSA-N 404.901 5.989 0 1 HKAF CCCCCn1c(-c2ccc(OC)cc2)nc2c(NCc3ccc(F)cc3)ncnc21 82185392 OSAVJRMPRCCXIG-UHFFFAOYSA-N 419.504 5.443 0 1 HKAF CC[C@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCc3ccc(F)cc3)ncnc21 82185406 UDXCDBIGZQLTLM-INIZCTEOSA-N 419.504 5.299 0 1 HKAF O=C1Nc2ccc(Cl)cc2[C@@H](c2ccccc2)N[C@H]1Cc1c[nH]c2ccccc12 84544659 SCUOXPXCQXEGTR-XZOQPEGZSA-N 401.897 5.064 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c(OCc3ccc(Cl)cc3)cc(C)cc21 84671174 JVACMWAIGDRMPN-IMSXRSKXSA-N 411.029 8.591 0 1 HKAF Cc1ccc(-c2oc(=O)c3c4c(sc3c2I)CCCC4)cc1 84708030 PEJAINBHPAFUHT-UHFFFAOYSA-N 422.287 5.313 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1=C(C)CC[C@@]2(C)CCC(C)(C)C[C@@H]12 85807798 NHVDFWJNPPZOPG-LEPBEUNVSA-N 410.730 10.129 0 1 HKAF C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C)C(C)C 85896580 UZUFWBGYKVBHGD-CUUCBKCESA-N 408.670 7.785 0 1 HKAF CC(C)=CCC[C@]1(C)CC[C@]2(C)C3=CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@@]2(C)C1 95912768 QGQULEUMJRAEQS-QNWZBTNQSA-N 410.730 9.508 0 1 HKAF biogenic,in-vitro CC[C@H](C)Sc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(N(C)C)cc1 100703655 GWBSOVYGQUSTAW-UGSOOPFHSA-N 424.570 5.353 0 1 HKAF CC(C)(C)Cc1c(-c2cccc(F)c2F)sc(N)c1C(=O)c1ccc(Cl)cc1 103226653 PJUGZJHFCVOHHP-UHFFFAOYSA-N 419.924 6.749 0 1 HKAF O[C@H](CNc1cc(-c2ccc(C(F)(F)F)c(Cl)c2)ncn1)c1ccccc1F 103261221 ZFQXAWYKZYPICX-QGZVFWFLSA-N 411.786 5.100 0 1 HKAF CC[C@@H](Nc1ccc(C)c(CNCC(C)(C)C(=O)O)c1)c1cc(C)c(Cl)c(C)c1 118391476 YCXYVWVPLORNNX-OAQYLSRUSA-N 416.993 6.029 0 1 HKAF COC[C@H](C)NC(=O)c1cc(NC(=O)c2sccc2C)cc(-c2ccc(C)cc2)c1 142622377 KXRKIVGFNKHJJM-KRWDZBQOSA-N 422.550 5.049 0 1 HKAF CCN(CC)c1cccc2nc3n(c12)CCC(=O)N3c1ccc(Cl)cc1Cl 144063973 VTYUIMCPBXARLX-UHFFFAOYSA-N 403.313 5.258 0 1 HKAF C[C@H]1C[C@H]2C3=CC=C(c4cncc(C(F)F)c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCNC(=O)C=C12 169266628 BZVHBYDULRSHAL-QMIIWXGCSA-N 424.535 5.868 0 1 HKAF O=C(O)c1cccc(-n2c(/C=C/c3ccc(F)c(Cl)c3)nc3ccccc3c2=O)c1 221103634 ZHCKHNSZSMWVOZ-PKNBQFBNSA-N 420.827 5.047 0 1 HKAF CN[C@H]1CC=C2CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C 238741800 JTOMBDWNZMKDRU-KBVVDYDXSA-N 414.678 5.021 0 1 HKAF Cc1cccc(C)c1NC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 253782833 QAHXIOGYJOSPBU-DAJNAAHSSA-N 420.597 5.155 0 1 HKAF CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 255221953 JWANJDUXWSJWER-NVQRBBLRSA-N 412.702 8.233 0 1 HKAF CC(C)C/C=C\[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 255225712 LENYQUOTRXGYQY-PFWPZOGXSA-N 424.713 8.543 0 1 HKAF CN(CCCN1CCc2c([nH]c3ccccc23)[C@H]1c1ccccc1)CCc1ccccc1 299825053 VTCDQYAWFPIBBB-GDLZYMKVSA-N 423.604 5.680 0 1 HKAF Cc1c(-c2cc(F)cc(C(F)(F)F)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586985085 AHRSKCFJZGOBAI-UHFFFAOYSA-N 423.365 6.285 0 1 HKAF Cc1ccc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1C 586990607 MEADGLSXDBHLHZ-UHFFFAOYSA-N 409.441 5.063 0 1 HKAF COc1ccc([C@@H](C)c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1OC 586992041 MOTREUCKNCAABW-CQSZACIVSA-N 411.457 5.321 0 1 HKAF COc1cc(/C=C/c2nc3cc(Cl)cc(C)c3[nH]2)cc(Cl)c1OCC(C)C 587047403 WIJDTHBXQYQEEX-AATRIKPKSA-N 405.325 6.392 0 1 HKAF CC(C)COc1cc2nc(CCc3ccccc3Cl)[nH]c2cc1Br 587058690 ICJPXUDEVXOPQQ-UHFFFAOYSA-N 407.739 5.799 0 1 HKAF N[C@H](N=O)c1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587069656 LWHFKAUCKOELQW-VIESLWHTSA-N 416.912 6.113 0 1 HKAF FC(F)=C(C[C@H]1CCCN1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587087034 AMQFUEOAFPWTEO-SSDOTTSWSA-N 410.184 5.094 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](c1ccc(Cl)c(Cl)c1)CC3 587103692 JRDOULKOWPJCGH-AWEZNQCLSA-N 416.307 6.831 0 1 HKAF O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)c1coc2ccccc12 587280860 DEOGWZMJRGRTPC-UHFFFAOYSA-N 413.380 5.454 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccncc2)[C@@H]1c1ccc(F)cc1 587345275 ILZVNJYGMDRRKW-RSXGOPAZSA-N 411.432 5.229 0 1 HKAF COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCc1ccc(Cl)cc1 587379137 GDELUSRXULURRZ-JOCHJYFZSA-N 423.896 5.525 0 1 HKAF CCC[C@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587379668 ZLAWMUVMUQGNIJ-RBBKRZOGSA-N 416.901 6.301 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)O2 587380153 BSGPVVOXIOOJJC-QFIPXVFZSA-N 415.386 5.644 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(F)cc3)nc3ccc(C)cn13)O2 587384354 KSVISMUNEYYIKV-FQEVSTJZSA-N 401.441 5.046 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)Nc3ccccc3)cc1)CC2=O 587471328 QUMJPCXOHOFPRJ-HSZRJFAPSA-N 401.462 5.304 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(c2ccccc2)=COc2cc(O)ccc21 587494688 ZRLRTGTYFHGBBM-SANMLTNESA-N 414.457 5.345 0 1 HKAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1OC(C)C 587496795 FSFLKXGDEIZLCO-HXUWFJFHSA-N 400.902 5.721 0 1 HKAF COc1ccc(Br)c2c1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587501212 ZWEXAYJQWTVCHQ-JOCHJYFZSA-N 413.311 5.143 0 1 HKAF C[C@@]1(c2ccc(I)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587502868 FTGNNZBJKICBGV-SFHVURJKSA-N 424.303 5.112 0 1 HKAF CN(C)c1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)n1-c1ccccc1 587503282 YIKQVKVLNRQKGJ-HXUWFJFHSA-N 421.928 5.177 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CC1CC1)c1ccc(Cl)cc1 587549678 SPXKQDNAQCNBJT-XUZZJYLKSA-N 406.865 5.703 0 1 HKAF Cc1cc2c(cc1C)[C@]1(CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607127 GGFQTJKBHMUVLM-RDGATRHJSA-N 402.446 5.039 0 1 HKAF CSc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1 587613606 OCKDVXMWOLMGMX-DENIHFKCSA-N 412.894 5.645 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2cccc(C(F)(F)F)c2)N1 587712257 KFXOXOSUAZXBAB-ZMZPIMSZSA-N 416.256 5.599 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccccc3F)c2)N1 587725226 CKDRTHOJESTGMQ-WHEQGISXSA-N 414.293 6.018 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2C(=O)OC(C)(C)C)N1 587795616 RQLWMUWQJQDYKM-BLVKFPJESA-N 420.322 5.167 0 1 HKAF COc1ccc2cccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587808006 MPIGOINAYXNNJD-XMHCIUCPSA-N 414.318 5.548 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cscc2Br)N1 587852367 FWYAUUTXZNWANA-NXSYQRQQSA-N 405.130 5.036 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1cccc(C)c1 587864509 LFGURRNOICHKHU-HNNXBMFYSA-N 418.415 5.384 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1c(Cl)cc(Cl)cc1C(F)(F)F 587870612 FFQHJNSAVQSLQY-UHFFFAOYSA-N 419.205 6.403 0 1 HKAF Cc1nn(Cc2cccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)c2)c(C)c1Cl 587874030 OHWOBUHFQNNZPS-UHFFFAOYSA-N 422.847 4.998 0 1 HKAF COC(=O)c1cc(Br)c2[nH]c(Cc3ccccc3-c3ccccc3)nc2c1 587959261 PLICQIZPZDFDSF-UHFFFAOYSA-N 421.294 5.370 0 1 HKAF Clc1ccc2c(c1)C1(CCCCC1)c1cc(Cl)ccc1N2CCc1nn[nH]n1 621476096 KOTFMMNNYZXVEV-UHFFFAOYSA-N 414.340 5.451 0 1 HKAF Cc1ccn2c([C@H]3NCCc4cc(-c5ccccc5)ccc43)c(-c3ccccc3)nc2c1 962670401 QYUPMJPZQAFNGK-NDEPHWFRSA-N 415.540 6.212 0 1 HKAF COc1cccc(-c2cc3c(Nc4ccc(Oc5ccccc5)cc4)nccc3[nH]2)c1 1857599285 RZKFUTAFGWXAIA-UHFFFAOYSA-N 407.473 6.774 0 1 HKAF CC=C(C)C(=O)O[C@@H]1[C@H](O)C[C@]2(C)[C@H](CCC(C)=CC(=O)O)C(C)=CC[C@H]2C1(C)C 2356580514 SAXSBOCXDXLSTA-KMUGJLFASA-N 418.574 5.055 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C)C(C)C 2356580744 XPRWWANUPMYKMF-IKZWERGWSA-N 410.686 7.865 0 1 HKAF CCC[C@@H](C)C(=O)Nc1nc(C)c(-c2csc(Nc3ccc(Cl)cc3)n2)s1 8672449 JOOPLGZJTPGQQR-LLVKDONJSA-N 420.991 6.347 0 3 HKAF O=C(OCc1ccccc1)N1CCCC[C@@H]1c1c(Cl)cccc1Br 72138405 IDKHSDDPWZUBAH-QGZVFWFLSA-N 408.723 5.966 0 3 HKAF CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc4c(c3)C=CC(C)(C)O4)coc12 14825201 ZPJWXFWZRLIDMC-UHFFFAOYSA-N 404.462 5.564 0 1 HKAF biogenic,in-vitro O=C(CCC1CCCCC1)Nc1ccc(Cl)c(NC(=O)c2ccc(O)cc2)c1 26992090 LWKBDUBNCGHFGF-UHFFFAOYSA-N 400.906 5.597 0 1 HKAF Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2cccc3ccccc23)n1CC1CC1 28862061 OCZGZWPFOZMXFE-LNVKXUELSA-N 414.596 5.008 0 1 HKAF C[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)[C@@H]1C[C@H]1C 35086343 RCOXCIVIRGPLSA-DLTNWBGXSA-N 424.669 6.878 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2ncccc2C(F)(F)F)nc1 38149576 OUSGJEOKSJZETD-UHFFFAOYSA-N 411.305 5.434 0 1 HKAF NCCCCCCNc1nc(/C=C/c2ccc(Cl)cc2)nc2ccc(Cl)cc12 38847022 YRAQENCNFMLMOJ-KPKJPENVSA-N 415.368 6.038 0 1 HKAF CC(C)c1cc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1 40874624 YIJJJJWZXATIQL-UHFFFAOYSA-N 422.356 5.412 0 1 HKAF Cc1[nH]c(C)c(-c2ccc(-c3ccccc3C(F)(F)F)nc2)c(=O)c1Br 45188822 BYFRPARTTAVAPP-UHFFFAOYSA-N 423.232 5.502 0 1 HKAF O=C(NC1(c2ccccc2)CCCCC1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1 45244936 HJMOYONFUOKYTR-DHIUTWEWSA-N 414.549 6.201 0 1 HKAF CCCCN(C)C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 45349695 OMCXUIYUJXNAFB-SKCNUYALSA-N 401.679 6.294 0 1 HKAF CCC(C)(C)Cc1c[nH]c(CCc2ccc(N3CCCC[C@@H]3c3nc[nH]n3)cc2)n1 49067191 SRPDIFMIAVWTAJ-OAQYLSRUSA-N 406.578 5.023 0 1 HKAF CC1(C)CCC[C@@]2(C)[C@H]1CC=C1C[C@]3(C)CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@@H]12 59779676 NIALLGCBSYYMNQ-NSXCONRDSA-N 410.730 9.198 0 1 HKAF CC[C@@H](NC(=O)c1ccc2c(c1)nc(C)n2Cc1ccc(Cl)cc1)c1ccccc1 72183315 YBXPFAJXLHONMQ-JOCHJYFZSA-N 417.940 5.928 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 95099773 KZJWDPNRJALLNS-JFQDBQJFSA-N 414.718 8.025 0 1 HKAF Cc1ccc(N2C(=O)CS[C@@H]2c2sc(Cc3ccc(Cl)cc3)nc2C)cc1 95561220 MWWCSFUXQNMPJF-OAQYLSRUSA-N 414.983 5.783 0 1 HKAF COc1ccc(Oc2c(Cl)cnn(Cc3ccccc3-c3ccccc3)c2=O)cc1 95596151 JYYJBVRJKXYNIW-UHFFFAOYSA-N 418.880 5.413 0 1 HKAF CCCCCC[C@@]1(c2ccccc2)CC(O)=C(SCCc2ccccc2)C(=O)O1 100363941 VDLUNTPWHJULPS-VWLOTQADSA-N 410.579 6.545 0 1 HKAF O=C1CCCN1[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 100833043 YZUQQTLIGPCXNY-RHNCMZPLSA-N 413.562 5.031 0 1 HKAF OC1(c2cccc(Cl)c2Cl)C[C@@H]2CC[C@@H](C1)N2Cc1csc2ccccc12 101185294 MTASNPVDMSIQLV-HOTGVXAUSA-N 418.389 6.223 0 1 HKAF OC1(c2ccc(Cl)c(Cl)c2)C[C@H]2CC[C@H](C1)N2Cc1coc2ccc(F)cc12 101185539 CYOBJTAQBGDFGU-IAGOWNOFSA-N 420.311 5.893 0 1 HKAF O=C(CCCc1ccccc1)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 145062096 SXHXUBSSUBDMFW-FQEVSTJZSA-N 403.309 5.497 0 1 HKAF Cc1cccc(C)c1[C@H]1CCc2cc(Oc3ncc(C(=O)N(C)C)s3)ccc2O1 145535479 MFWCLDSCJVBTKF-LJQANCHMSA-N 408.523 5.320 0 1 HKAF CNc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2F)ncn1 168805350 DVLXULKETFKWBZ-UHFFFAOYSA-N 421.354 5.113 0 1 HKAF Cc1cc(Sc2nc3ccccc3o2)nc(SCc2nc3ccccc3o2)n1 169308881 WAIXXZCUEGQDJW-UHFFFAOYSA-N 406.492 5.511 0 1 HKAF CC(=O)OC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCc1ccoc1 169310083 VHHJCYANOJVWTK-GPPRQSFDSA-N 412.614 7.901 0 1 HKAF C[C@@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@@H]2CCN(C[C@@H]3CCCCO3)C[C@H]21 169373628 RWRVBLQXKOJFGU-MRHSLFKSSA-N 406.492 5.354 0 1 HKAF Cc1ccccc1[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NN1c1nc(O)cs1 169728201 LRXZJUBFPONUOY-QGZVFWFLSA-N 404.322 5.820 0 1 HKAF Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3cccc(C)c32)cc1 198720264 GCZOEWZYLOZOQU-UHFFFAOYSA-N 413.521 5.042 0 1 HKAF CCN(Cc1ccccc1)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2cc(C)ccn12 199836464 ZKXBCTBEVJXSSK-UHFFFAOYSA-N 417.940 5.554 0 1 HKAF CC(C)N(CC[C@@H](O)c1ccc2ccccc2c1)Cc1ccc(Cl)c(Cl)c1 200625507 XQODJLWIXYEXNC-HSZRJFAPSA-N 402.365 6.481 0 1 HKAF C[C@H]1C[C@H]1c1cc(NC(=O)Nc2ccc(Br)cc2)n(-c2ccccc2)n1 204750307 QVWLWICBLLCJMQ-SUMWQHHRSA-N 411.303 5.402 0 1 HKAF C[C@@]12CC3CC(NC(=O)c4ccc(-c5cssc5=S)cc4)(C1)C[C@](C)(C3)C2 206898055 UYLSOHJYCZMDFR-BGCCBAISSA-N 415.649 6.685 0 1 HKAF CC1=CCC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)C[C@@H](O)CC(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13 255221290 JLOKHLVFHLMHMQ-MNUHDSGTSA-N 412.702 7.779 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 256368965 AWYDNKRGSOPYQB-LZNORNHUSA-N 400.691 7.779 0 1 HKAF endogenous,in-man CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3 261519759 KLZWTHGLLDRKHD-ULZBJFKISA-N 412.702 8.089 0 1 HKAF CC(C)(C)c1cccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 587026101 KEIIWNITCDIXEG-QMMLZNLJSA-N 421.610 5.997 0 1 HKAF Cc1ccc(C)c2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc12 587130282 HACGBWUWLBSTBS-UHFFFAOYSA-N 419.435 5.397 0 1 HKAF CCOc1cc(/C=C\c2nc3c(C)c(Br)cnc3[nH]2)ccc1OC(F)F 587130312 KTYMZKIJGQKMHA-ALCCZGGFSA-N 424.245 5.199 0 1 HKAF CNc1c(F)cccc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587135573 IAXUEMAALQXKHG-UHFFFAOYSA-N 404.161 5.072 0 1 HKAF COC(=O)c1cc(Cl)c2nc(-c3ccc(F)cc3-c3ccc(C=O)cc3)[nH]c2c1 587158560 OFRCCQKHQGHJTA-UHFFFAOYSA-N 408.816 5.289 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3c(Br)ccnc3[nH]2)c1 587158868 RJZMMZZOWFYSKW-UHFFFAOYSA-N 412.262 5.126 0 1 HKAF CC(C)CCOc1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c2cc1Br 587160623 DYAVDBDSLGRGTA-HZPDHXFCSA-N 417.322 6.161 0 1 HKAF Nc1c(Br)cc(Br)cc1-c1cc2c3c(cccc3n1)CC2 587208567 VCTAAVNKOMWCED-UHFFFAOYSA-N 404.105 5.108 0 1 HKAF CCOC(=O)Cc1c(-c2cccc(SC(F)(F)F)c2)nc2cccc3c2c1CC3 587210367 QBUFQPJDHQNWGU-UHFFFAOYSA-N 417.452 5.718 0 1 HKAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 587243912 CNNZZKWAINGQQN-UHFFFAOYSA-N 424.460 5.495 0 1 HKAF C[C@@]1(c2ccc(Cl)nc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327495 GTBZYGDRBUADNY-NQIIRXRSSA-N 418.251 5.507 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CSCc3c(F)cccc32)[C@H]1c1ccc(F)cc1 587328376 ABEVVAZVNINQAU-GMAHTHKFSA-N 410.441 5.172 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3CCCc4cccc2c43)[C@@H]1c1ccc(F)cc1 587353245 OHRZICGONVZPCS-NLRIEGLYSA-N 400.449 5.609 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3ccc(F)cc3Cl)o1)O2 587384228 BZBSBCGBZNYDIY-HXUWFJFHSA-N 401.821 5.248 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccccc1Cl)(c1ccccc1OC)[C@@H](C2)C3=O 587422215 XNWXPZSUFGAQHE-MHECFPHRSA-N 406.865 5.048 0 1 HKAF COc1cc2c3c(c1)O[C@](Cc1ccc(Cl)cc1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587428726 OTYWGYRHAGPJON-GBXCKJPGSA-N 408.856 5.373 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cccc(Cl)c3Cl)o1)CC2=O 587463155 VBBYTORWTKDPNK-HXUWFJFHSA-N 417.288 6.618 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1c1ccc(C(F)(F)F)cc1)CC2=O 587464617 UPYBIOPPWSYHRK-CVDCTZTESA-N 418.455 6.425 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccccc3)c(F)c1)CC2=O 587466069 JLZRBGCZXRXGRS-XMMPIXPASA-N 406.453 5.769 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCC)(c1ccc(Oc3ccccc3)cc1)CC2=O 587475700 CBTFEUOHQYXIPJ-MHZLTWQESA-N 416.517 6.798 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3cccc(C(=O)O)c3)cc1)CC2=O 587492879 ZACHEBIRZPATBH-SANMLTNESA-N 416.473 5.591 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(c1csc3ccccc13)CC2=O 587493294 DKAKVGXDDQSZGS-VWLOTQADSA-N 415.514 5.863 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C=C(SC)SC)(c1ccccn1)CC2=O 587493963 VAZJIGMPZQXXPU-OAQYLSRUSA-N 401.553 5.168 0 1 HKAF CN(C)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587502580 LVFNWDUDXPINEZ-HXUWFJFHSA-N 400.316 5.100 0 1 HKAF CCCC[C@@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510057 WCHSTDPQSGOVSC-QHCPKHFHSA-N 402.456 6.635 0 1 HKAF O=C1C[C@@](c2ccccc2)(c2nccc3ccccc23)Oc2c1ccc1c2CCCC1 587515465 OCSCXQBVMCEQEX-MUUNZHRXSA-N 405.497 6.023 0 1 HKAF O=C(c1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F 587621362 BWCVRFYUMCMBPP-UHFFFAOYSA-N 408.177 5.219 0 1 HKAF COc1cccc(NC(=O)c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1 587625816 NUGUWEUXLHJWEJ-UHFFFAOYSA-N 416.321 5.775 0 1 HKAF O=C(O)[C@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 587627719 ABXGJKRNYMPMMX-LJQANCHMSA-N 414.263 6.497 0 1 HKAF CCOC(=O)c1c(-c2cc(F)c(F)c(OC)c2F)[nH]c2ccc(F)c(Cl)c12 587629450 QPGRVQNNKJXNEI-UHFFFAOYSA-N 401.743 5.230 0 1 HKAF CCOC(=O)c1c(Cc2cc(F)c(Cl)nc2Cl)[nH]c2ccc([C@H](C)CC)cc12 587641924 KSYCLLFFWIJXAO-LLVKDONJSA-N 423.315 6.290 0 1 HKAF CCOc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCC)c1 587801537 LKVGLYKFQZFOHU-ASSNKEHSSA-N 422.338 5.183 0 1 HKAF CC[C@H](C)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587808844 QYAXXSQTQZAHHX-OYMPBJRDSA-N 406.339 5.734 0 1 HKAF COc1ccc([C@H](C)[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587810378 WZUWCJGVZPAHOH-BYVOGVQKSA-N 422.338 5.159 0 1 HKAF CC(C)c1ccc2c(c1)[C@@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587816840 DWLZDTUITORQBG-JLCFBVMHSA-N 402.351 5.826 0 1 HKAF CCCC[C@@H]1Cc2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587818153 CEBGQGIVADWWCH-WTBBCNCBSA-N 402.351 5.729 0 1 HKAF CSc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 587844560 LMUSJKMQRSNVHQ-MLCYQJTMSA-N 414.771 5.761 0 1 HKAF Cc1ccccc1-c1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 587851240 HVIHCBBPDLGPBU-BUXKBTBVSA-N 417.347 5.644 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(Cl)cc(Cl)c1 587860920 JUXBISVLUQGCKT-UHFFFAOYSA-N 415.198 5.573 0 1 HKAF Cc1ccccc1-c1ccc(Cc2nc3c(Br)cnc(Cl)c3[nH]2)cc1 587959562 PILKRKJTLBZESZ-UHFFFAOYSA-N 412.718 5.940 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)C(/C=C\c2ccccc2)(/C=C\c2ccccc2)N1 962946288 KWWFGVCONHTPCB-HLYLORIXSA-N 404.557 6.714 0 1 HKAF CCCCC[C@]1(c2ccco2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963831846 KCSDJISSBJCIRK-HHHXNRCGSA-N 414.549 6.310 0 1 HKAF COc1ccc(-c2cc(=O)c3ccc(OCCCCN4CCC(C)CC4)cc3o2)cc1 1857755600 KQDQTMNCYVDIPW-UHFFFAOYSA-N 421.537 5.360 0 1 HKAF CC(C)=CC[C@H](O)[C@H](C)CCCC(C)=CCC[C@H](C)C[C@@H](O)[C@@H]1COC(C)(C)N1 2356383169 CAMGJIALDLKPHB-VHJOFQCFSA-N 409.655 5.348 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356492707 ARYTXMNEANMLMU-GPSADROQSA-N 402.707 7.715 0 1 HKAF COc1cc(O)c(C(=O)[C@H]2[C@@H](c3ccccc3)CC=C(C)[C@@H]2CC=C(C)C)c(OC)c1 2356495048 BYWWTSFMTOYXHJ-SGIRGMQISA-N 420.549 6.315 0 1 HKAF CC(C)=CCCC(C)=CCc1cc(C(=O)O)cc(CC=C(C)CCC=C(C)C)c1O 2356573790 AMJQNZOGATWKJX-UHFFFAOYSA-N 410.598 7.561 0 1 HKAF CC(C)CC[C@@H](O)[C@@H](C)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356574672 IIGMATMTMWUMJV-APTTWVBHSA-N 418.662 5.330 0 1 HKAF O=C(NC1CCCC1)c1c(-c2ccccc2Cl)noc1-c1cccc2ccccc12 2481127 VMDVUHHNSFPCTN-UHFFFAOYSA-N 416.908 6.488 0 1 HKAF CCOc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@@H](C)C(C)C)cc1 2481827 NJKJQCXZEMGCBI-HNNXBMFYSA-N 412.917 5.835 0 1 HKAF Cc1c(C2CCN(C[C@H](O)COc3cccc4[nH]ccc34)CC2)sc2ccccc12 13490085 PNPVRCVLTPANGP-IBGZPJMESA-N 420.578 5.310 0 1 HKAF CCCN(Cc1sc(Nc2c(C)cc(C)cc2C)nc1C(F)(F)F)CC1CC1 13587343 NDILXDHQADYSOY-UHFFFAOYSA-N 411.537 6.453 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(c1ccccc1)c1ccccc1 13600124 TXLNBYSLSKBGON-UHFFFAOYSA-N 413.561 6.663 0 1 HKAF CCCC[C@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(OC)c(C(=O)O)c3)c2c1 26495034 CUDVETCMDCAKSW-SFHVURJKSA-N 422.525 5.551 0 1 HKAF CCCN(CCC)[C@H]1CCc2cc(CN(C(C)=O)c3ccc(OC)cc3)ccc2C1 27329034 KRBRCRMUFRFNGT-VWLOTQADSA-N 408.586 5.228 0 1 HKAF CN(C)CCNc1cc(-c2ccc3ccccc3c2)nc2ccc(-c3ccccc3)cc12 28641279 ZVDNNKPTIHOJPP-UHFFFAOYSA-N 417.556 6.696 0 1 HKAF OCc1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12 34820189 KZHKVXWPEKRAEL-UHFFFAOYSA-N 413.521 5.515 0 1 HKAF C[C@@H](NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1)c1ccncc1 40899362 IGISGCSZIPPMKX-LJQANCHMSA-N 423.516 5.557 0 1 HKAF C[C@@H](CN(C)C)C(=O)Nc1ccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)cc1 45190565 ADKXDNQPPWMGSU-INIZCTEOSA-N 416.500 5.172 0 1 HKAF CCN(CC)C(=O)[C@H]1Sc2ccccc2-c2c1c1cc(OC)ccc1n2CCF 68208433 UZKHZSTUQXRUJW-QFIPXVFZSA-N 412.530 5.302 0 1 HKAF CN(C)c1ccc([C@@H]2CC(C3=C(O)c4ccccc4C3=O)=Nc3ccccc3N2)cc1 68583051 FCSFNZXOFTWOQW-QFIPXVFZSA-N 409.489 5.548 0 1 HKAF biogenic Cc1ccc(-c2nsc(-c3ccc(C)cc3Br)n2)c(Br)c1 73222746 NKZJHSMAGBLHFZ-UHFFFAOYSA-N 424.161 6.014 0 1 HKAF CCCCCc1nc(-c2cnc(NCc3ccccc3)nc2-c2ccco2)oc1C 82166151 VVQZFDPQACIVLC-UHFFFAOYSA-N 402.498 6.045 0 1 HKAF CC[C@H](C)Cn1c(-c2ccc(C)o2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188409 FTBXBPPORTZQCZ-DLBZAZTESA-N 403.530 5.656 0 1 HKAF Cc1ccc(N2C(=O)CS[C@H]2c2sc(-c3ccc(Cl)cc3)nc2C)cc1 95558709 WIALRAPSXLJYHJ-FQEVSTJZSA-N 400.956 5.859 0 1 HKAF COc1cc(-c2nc(C3CCC3)n3ccnc(N)c23)ccc1Oc1ccccc1C 96168070 FGAMSDKNQXBKAG-UHFFFAOYSA-N 400.482 5.355 0 1 HKAF CC(=O)N1N=C(c2ccc(N)cc2)C[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 103200540 KDEHRJBOQMCUNH-IBGZPJMESA-N 414.292 5.533 0 1 HKAF COC(=O)[C@@]1(C)CCC=C2[C@@H]1CC[C@@H](C)[C@]2(C)Cc1c(C)[nH]c2ccc(Cl)cc12 103268436 RFDXJZBYNSDEOR-CPLGWTIISA-N 413.989 6.624 0 1 HKAF Cc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1[nH]c2cnccc2c1C)C(F)(F)F 113501858 JTNNQTQMGYMRGO-OAQYLSRUSA-N 408.439 5.523 0 1 HKAF Cc1nc(N[C@H](C)c2cccc(-c3ccc[nH]3)c2)cc(-c2ccc3ncsc3c2)n1 142107755 DZRHHZRQFMHMBH-OAHLLOKOSA-N 411.534 6.230 0 1 HKAF CCCCC1([C@H](O)/C=C/[C@@H]2CCC(=O)[C@@H]2CCCCCCCC(=O)OCC)CCC1 169315192 WEPFFVSSFVLUMV-MXAZIWHNSA-N 420.634 6.153 0 1 HKAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](C)c4ccc(Cl)c(C)c4)ncc23)ccn1 219750818 SXSIGNOWWGDSDH-AWEZNQCLSA-N 420.904 5.173 0 1 HKAF Cc1ccc(NC(=O)Nc2cc3ncncc3cc2OCc2ccccc2F)cc1 299833479 OTWGADCQLWXFJU-UHFFFAOYSA-N 402.429 5.300 0 1 HKAF O=C(Nc1cccc(F)c1)Nc1cc2ncncc2cc1OCc1ccc(Cl)cc1 299835010 UVXQWOZUDDVQIZ-UHFFFAOYSA-N 422.847 5.645 0 1 HKAF Oc1cc(CN2CCOc3c(Cl)cc(-c4csc5ccccc45)cc3C2)ccn1 473129524 HMLTYNGKIGEFDZ-UHFFFAOYSA-N 422.937 5.717 0 1 HKAF Cc1c(-c2ccc(C(F)(F)F)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586986255 KCADKRJMINXWHG-UHFFFAOYSA-N 405.375 6.146 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1cc(Cl)c(Cl)cc1C4)-c1ccccc1C2=O 586991761 ALZZHYFEPLDZNF-UHFFFAOYSA-N 402.280 6.633 0 1 HKAF Clc1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c(Cl)n1 587038954 COPUWGCUAQRDKU-UHFFFAOYSA-N 413.333 6.110 0 1 HKAF CCc1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 587063816 ABINDCGGPSVVAZ-UHFFFAOYSA-N 415.924 6.479 0 1 HKAF Cc1c(Cl)ccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c12 587082454 OVYAULIIRSFCFF-UHFFFAOYSA-N 404.300 7.060 0 1 HKAF Cc1c(-c2ccc(OCC(=O)O)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587098252 WHFNKQQZFDVGJU-UHFFFAOYSA-N 409.441 5.193 0 1 HKAF Cc1ccc2c3c(cc(-c4sccc4Br)nc13)-c1ccccc1C2=O 587102364 OLYRDSHXUCQJGC-UHFFFAOYSA-N 406.304 6.246 0 1 HKAF C[C@H](Oc1ccc(F)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587168608 JNCCIBMXFYIQSL-QMMMGPOBSA-N 419.172 5.503 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 587329044 BXOFYQSACPRGDB-RSEQLOHWSA-N 406.428 5.736 0 1 HKAF CCn1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nc2ccccc21 587343517 UCKAYQBFUXCIKS-WIOPSUGQSA-N 416.452 5.175 0 1 HKAF CC[C@@]1(c2cc(C)ccc2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348273 GVJCVUKNCIFUAQ-NOZRDPDXSA-N 406.453 5.513 0 1 HKAF COc1cccc(-c2cc(-c3cc4ccc(C)cc4o3)nc3c2oc2ccccc23)c1 587367120 SYHAXHKVNPQJQI-UHFFFAOYSA-N 405.453 7.378 0 1 HKAF CSc1ccc2c(c1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587372583 FKVVWMNKIOXOFW-NOZRDPDXSA-N 420.505 5.844 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](c3ccccc3)C[C@@H]1C(=O)OCC)CC2=O 587482493 UDXJPIBCQCIOLD-CNDUHNDJSA-N 422.521 5.196 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1OCc1ccccc1)CC2=O 587484136 YENPAKLJKNXWGV-XMMPIXPASA-N 418.489 5.639 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccccc2N[C@@H]1c1ccccc1 587484761 NMBLKUCPEAXQMQ-RSXGOPAZSA-N 413.473 5.098 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587504596 XBJHCUSVEQGXOP-HSZRJFAPSA-N 420.940 5.787 0 1 HKAF O=C1C[C@H](c2ccccc2OCc2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587507678 NVCYUZOUHXBLGG-RUZDIDTESA-N 402.465 5.990 0 1 HKAF COC(=O)c1ccc(OC(C)C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587523114 NMVRIHZTCISOFB-VWLOTQADSA-N 408.494 5.020 0 1 HKAF CC(C)(C)OC(=O)Nc1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 587534930 GJSISORNMHUOBO-KRWDZBQOSA-N 400.500 5.075 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cc(Cl)ccc2n1 587551612 HONJWXWSQBBGQU-REWPJTCUSA-N 403.821 5.297 0 1 HKAF CCCc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC 587595666 LTKXUSDBEKWRCA-DHLKQENFSA-N 404.462 5.446 0 1 HKAF CCCC[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587695613 BWJQSOSTJFJXIY-RBZFPXEDSA-N 410.758 6.210 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(Cl)c2Cl)N1 587714702 BBCXPHKQQVGFKV-GYKQLYQFSA-N 407.085 5.658 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(C(F)(F)F)ccc32)N1 587717279 WUJJNUINIBYUML-XTZNXHDOSA-N 414.240 5.331 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3F)s2)N1 587728108 RADYSJVQKZJTAE-YBTHPKLGSA-N 420.322 6.079 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccco2)N1 587736807 UHFNZZBFXZEJDE-YUNKPMOVSA-N 404.254 5.146 0 1 HKAF Cc1cccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587753499 JHWPNGFYQSDQLA-RCDICMHDSA-N 413.334 5.619 0 1 HKAF Cc1ccc(-c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587826882 GLNOIEDBOBJSOK-GTJPDFRWSA-N 400.291 5.780 0 1 HKAF COc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 587829430 QZVSJBYQQXEJKC-LAJNKCICSA-N 416.290 5.480 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3c(s2)CC(C)(C)CC3)N1 587856989 JUYFMSJADJQHQZ-DYZYQPBXSA-N 409.368 5.183 0 1 HKAF C[C@H](Cn1nc(C(F)(F)F)cc1C1CC1)c1nc(-c2ccc(F)c(F)c2)cs1 587922745 ZJYIIDCKUISRTE-SNVBAGLBSA-N 413.415 5.985 0 1 HKAF COc1ccc2cc([C@@H](C)c3nc4c(Cl)c(Br)cnc4[nH]3)ccc2c1 587936627 WQKQHFVAYLGSDA-SNVBAGLBSA-N 416.706 5.687 0 1 HKAF CC(C)c1nn(C)c2c1[C@@](C)(c1ccccc1OCc1ccc(Cl)cc1)NCC2 962922085 VKQFAZHFUYDHOH-XMMPIXPASA-N 409.961 5.185 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccccc2)(c2ccc(OC)cc2Cl)N1 962938855 ABKXRNSJVVFZFB-HFJWLAOPSA-N 416.952 6.046 0 1 HKAF c1cncc(CN2CCc3sccc3[C@@H]2C2CCN(Cc3cccs3)CC2)c1 962994593 DRPBYNSFVKYFOO-QHCPKHFHSA-N 409.624 5.216 0 1 HKAF Cc1onc(-c2ccc(F)cc2)c1[C@@]1(C)c2ccsc2CCN1Cc1cccnc1 962999564 SKPWNOZWLFJEAW-XMMPIXPASA-N 419.525 5.567 0 1 HKAF CN1CCc2c(Br)cccc2[C@@]1(C)c1cccc(Br)c1F 963290816 YRHQIBZEKXHRGA-KRWDZBQOSA-N 413.128 5.102 0 1 HKAF Cc1cccc(C)c1-c1cccc(COc2ccc(C[C@H]3SC(=O)NC3=O)s2)c1 1772613498 XPFFJMVSMHWYIK-LJQANCHMSA-N 423.559 5.505 0 1 HKAF COc1ccc(C(=O)Cn2ccc3c4ccccc4nc-3c2-c2ccc(OC)cc2)cc1 1772619846 IMFDGMRUCANIRN-UHFFFAOYSA-N 422.484 5.708 0 1 HKAF COc1ccc(Cl)c(-c2ccc(NC(=O)c3c(F)cccc3F)cc2Cl)c1 1857640984 MVFKQMXUHGMZCT-UHFFFAOYSA-N 408.231 6.200 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1[C@H](O)C=C2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356309655 ZOAXOAKEGDZGLC-XKSOFVJDSA-N 402.663 6.360 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356615380 CSVWWLUMXNHWSU-IUMWASOSSA-N 414.718 7.881 0 1 HKAF CC(C)=CCCC(C)=C1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)C=C[C@H](O)C(C)(C)[C@@H]3CC[C@@]12C 2356719522 ALSLQXDARSAWLG-CUCGFABZSA-N 424.713 8.255 0 1 HKAF C[C@@H](C=C[C@H](C)C(C)(C)O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356790446 FOZVAIZOTQTSCI-HCNICFQSSA-N 414.674 6.526 0 1 HKAF CCCCCC=CC=C[C@@H](O)CC=CCCCCC(=O)c1c(O)cc(O)cc1O 2356805292 ZRHBIPGFXDBANR-LJQANCHMSA-N 402.531 5.546 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(F)c1F)Oc1ccccc1-3 13781709 WTHAQTMDPYYIEC-XKZIYDEJSA-N 401.456 7.130 0 1 HKAF CCN(CC)C(=O)c1ccc(C(=C2CCN(CC=C(C)C)CC2)c2ccccc2)cc1 13814367 OKBFNGNTOSTHRK-UHFFFAOYSA-N 416.609 6.033 0 1 HKAF C[C@H](NC(=O)Nc1cccc2cnccc12)c1ccc(C(C)(C)C)cc1C(C)(C)C 14973687 GVBZLLZZBUJLCS-KRWDZBQOSA-N 403.570 6.713 0 1 HKAF COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@@H]23)cc1OC(F)F 26573151 VKQDIKWPKDHRJH-MSOLQXFVSA-N 418.484 5.148 0 1 HKAF CN(CC1CC1)C[C@@H]1c2ccccc2CCN1C(=O)Cc1ccc(Cl)c(Cl)c1 26579364 IJBVEQRMGIOGHG-JOCHJYFZSA-N 417.380 5.004 0 1 HKAF CC(C)(C)CC(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1 28333327 GVSLBYIQGMBZQE-UHFFFAOYSA-N 418.522 5.064 0 1 HKAF CC(=O)Nc1cccc(-c2ccc3c4c(ccc3c2)OC(=O)C[C@H]4c2ccccc2)c1 29135403 QRYCSHWKLRCCHS-DEOSSOPVSA-N 407.469 5.906 0 1 HKAF C=C1/C(=C\C=C2/C=CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O 33820648 JGAZABUQVPTSTD-NKMMMXOESA-N 414.630 5.481 0 1 HKAF O=C(Nc1ccc(F)cc1F)Nc1cccnc1Oc1ccccc1C(F)(F)F 35848320 QBWNWCDHNXJLSG-UHFFFAOYSA-N 409.314 5.815 0 1 HKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCCc1ccsc1 38157972 STMAJTBRXLMOCE-MLFLMRJSSA-N 413.671 7.553 0 1 HKAF O=C1OC2(CCC(c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)CC2)c2ccccc21 38939639 VWARAUUVKSGERC-UHFFFAOYSA-N 420.818 5.959 0 1 HKAF CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12 40873018 HBYNSBHOUGEURT-UHFFFAOYSA-N 416.908 5.720 0 1 HKAF Cc1cccc2[nH]c(-c3cccc(-c4cccc(CNCc5ccccc5)c4)c3)nc12 45187065 BAXMEGUKICAGLR-UHFFFAOYSA-N 403.529 6.495 0 1 HKAF CCCNC(=O)C1CCN([C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 45231210 VBCJXUGGEYFONR-OAQYLSRUSA-N 405.369 5.321 0 1 HKAF CC(C)(C[C@@](O)(CNc1cccc2ccccc12)C(F)(F)F)c1cc(F)ccc1O 64540897 LCQARUZGGLOLJC-JOCHJYFZSA-N 421.434 5.758 0 1 HKAF C[C@@H](Oc1cc(NC(=O)c2ccccc2)cnc1N)c1c(Cl)ccc(F)c1Cl 72183337 VMYRSZYEJHEZMA-LLVKDONJSA-N 420.271 5.502 0 1 HKAF COC(=O)c1cccc(NC(=O)COc2ccc(-c3ccc(C(C)(C)C)cc3)cc2)c1 73222907 CMHWSAXMKWEPSR-UHFFFAOYSA-N 417.505 5.455 0 1 HKAF CCOc1cc(Cl)c(-c2ccnc3c2nc(C)c(=O)n3[C@H](CC)C2CC2)cc1C 84709537 DSFJJLJFMCMDCW-LJQANCHMSA-N 411.933 5.489 0 1 HKAF CC(C)CC[C@H]1C[C@H](Cc2ccc(O)cc2)C[C@@H]([C@]23CC[C@H]([C@H](N)C2)C(C)(C)O3)C1 85543299 KHUUTQFLJGKBMD-CHSMBGCXSA-N 413.646 6.078 0 1 HKAF biogenic,in-vitro C/C=C(/C)[C@H](O)[C@@H](C)/C=C(C)/C=C\C/C(C)=C\Cc1oc(OC)c(C)c(=O)c1C 90373154 PFVSUJLJFXJPMF-LCVGUQIVSA-N 400.559 5.610 0 1 HKAF COc1ccc(I)cc1Nc1ccc(OC)c2ccccc12 95555551 IXTLBSPWAFUCON-UHFFFAOYSA-N 405.235 5.205 0 1 HKAF COC(=O)[C@@]1(C)CCC=C2[C@@H]1CC[C@@H](C)[C@]2(C)Cc1c(C)[nH]c2ccc(OC)cc12 103268441 GDLQKLVNDUBODH-DQXGWRPGSA-N 409.570 5.979 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2ccc3c(c2)OCO3)C[C@H](c2ccccc2)C1 103868079 DZOUCPLVTYOZJJ-QYBDOPJKSA-N 410.473 6.044 0 1 HKAF Nc1oc2c(-c3cc(Cl)cc(Cl)c3)nccc2c1Nc1ccc(F)c(Cl)c1 222827687 CDIOTLFFDHTDCL-UHFFFAOYSA-N 422.674 6.920 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C\C(C)C)C1 238731173 SAWMHXICEQYKKZ-AJOCKETRSA-N 414.674 7.425 0 1 HKAF Clc1cccc(Cl)c1-c1nc2ccc(Nc3ncnc4ccccc34)cc2[nH]1 299825878 CQBHWVIUWWOTKJ-UHFFFAOYSA-N 406.276 6.224 0 1 HKAF COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCCC2)CC1 299867828 YVCAJCVHBUZCNX-UHFFFAOYSA-N 406.998 5.576 0 1 HKAF CC[C@@]1(C)C[C@@H]1c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 586890943 PXYJBCWHVZNPML-VLIAUNLRSA-N 405.395 5.877 0 1 HKAF Fc1ccc2nc(-c3cc(Br)ccc3Cl)[nH]c2c1Br 586980369 QLQSLSRILOIPIX-UHFFFAOYSA-N 404.464 5.547 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Cl)ncc(Cl)c4[nH]3)c21 587030994 NDJXGFDURMZBPT-JTQLQIEISA-N 403.338 6.224 0 1 HKAF FC(F)(F)c1cnc2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc2c1 587048586 XNIKXQWEZFWZIX-UHFFFAOYSA-N 408.210 6.618 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(CCc4ccccc4Cl)[nH]c3c2)cc1 587058992 KPBSJKFNQACEBR-UHFFFAOYSA-N 406.869 5.580 0 1 HKAF Cc1c(Br)cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1C 587116167 QQSKFQJHIYEEHC-UHFFFAOYSA-N 421.220 5.571 0 1 HKAF Cc1cc2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2cc1C 587119873 JZYQIWMAMSLQBH-UHFFFAOYSA-N 407.399 5.575 0 1 HKAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cccc(Br)c2[nH]1 587122120 QSFCPSVTCAAZON-UHFFFAOYSA-N 422.204 5.748 0 1 HKAF FC(F)(F)Oc1cccc(CSCc2nc3cc(Cl)nc(Cl)c3[nH]2)c1 587124033 KQNWTPPRQLXJQK-UHFFFAOYSA-N 408.232 5.597 0 1 HKAF CCS(=O)(=O)c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587126684 XOICXPQMTIFDEP-BJMVGYQFSA-N 412.458 5.139 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c(Cl)c2)cc1F 587144648 BNWFTUNKFJPSOO-UHFFFAOYSA-N 404.794 7.017 0 1 HKAF Cc1cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1Br 587152458 NUDGHTRCDORJFX-HXUWFJFHSA-N 410.290 5.974 0 1 HKAF CCCCCOc1cc2nc(-c3cc4cc(N)ccc4o3)[nH]c2cc1Br 587252000 QCIXWVCXWPCBMM-UHFFFAOYSA-N 414.303 5.890 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(C[C@H]3CCCc4cccc2c43)[C@H]1c1ccc(F)cc1 587353243 OHRZICGONVZPCS-JWFGRAFASA-N 400.449 5.609 0 1 HKAF COc1cccc(-c2c([C@@H]3CCCc4ccccc43)cnc3c2oc2ccccc23)c1 587366211 JZVKQSIOVWSLPN-JOCHJYFZSA-N 405.497 7.125 0 1 HKAF CCSc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587368928 BONYAGQJVDGKQP-LADGPHEKSA-N 408.494 5.918 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(C)cc(CN4CCC[C@H](C)C4)c1C)[C@@H](C2)C3=O 587435218 DLWVLULVBBXWDD-LHFVIUMPSA-N 405.538 5.033 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Sc3ccc(Cl)cc3)o1)CC2=O 587491586 LVKUNWIDTUJINS-HXUWFJFHSA-N 414.910 6.449 0 1 HKAF COc1cc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(Cl)nc2cc1OC 587501110 QXOBTHYYRRRUDL-FQEVSTJZSA-N 423.896 5.491 0 1 HKAF Cn1nc(-c2ccccc2)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl 587503880 ZSTQRMKYLJGDRG-DEOSSOPVSA-N 406.913 5.500 0 1 HKAF C[C@]1(c2cccc(NC(=O)c3cccnc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587511380 KBGLODOJCRKRRQ-AREMUKBSSA-N 412.489 5.093 0 1 HKAF COC(=O)c1sccc1-c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587531048 IVRNTWOIUMMDMR-FQEVSTJZSA-N 408.475 5.380 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2cccc(Cl)c2)no1 587550907 ZDMXJQZSSAIGIC-NZQKXSOJSA-N 419.820 5.404 0 1 HKAF COc1cc(-c2ccccc2)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599685 HJMLWKXGBNDIRG-RPLLCQBOSA-N 424.452 5.771 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2c(-c3cnccn3)c(-c3ccccc3)[nH]c2c1 587628242 PWARATQVAAQIHN-UHFFFAOYSA-N 407.317 6.330 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3cccc(Cl)c3)CC2)N1 587704125 SJRWQPQYUMJUOE-ZDUSSCGKSA-N 423.757 5.272 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2CCC(F)(F)F)N1 587708774 DMPQLBPRZJAWOX-ADLMAVQZSA-N 416.256 5.707 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)cccc2C(F)(F)F)N1 587711016 IPHJGDCAVICPIV-XLFHBGCDSA-N 420.219 5.544 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(C(F)(F)F)c2F)N1 587715954 YYENGEBRUZMMED-XYZCENFISA-N 420.219 5.544 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(SC(F)F)cc2)N1 587716623 JTKKXBPUZZLTLN-YPMLDQLKSA-N 416.306 5.701 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3F)s2)N1 587725130 BMMLHBFNLOZFDQ-PRWKNARSSA-N 420.322 6.079 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc(-c5c(C)cccc5OC)[nH]c4c3)o2)cc1 587785680 FJMPPELVKWMPKY-UHFFFAOYSA-N 412.449 5.273 0 1 HKAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC(C)C 587792378 KNTLKSPAJLJQOZ-ZSEKCTLFSA-N 422.338 5.255 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C23CC(CC(=O)OC(C)(C)C)(C2)C3)N1 587797875 YCETWALFZMZZRZ-YBQQPESKSA-N 424.354 5.066 0 1 HKAF COc1ccc([C@H]2C[C@@H]2[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587807660 LDGSWAWUPWETBO-JDEKTIPCSA-N 404.323 5.150 0 1 HKAF Cc1c(Br)csc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587842128 DDKBFVADSNBMDK-WJWGPLDTSA-N 419.157 5.344 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1cc(C)ccc1C 587863686 QYHRQOONSXZPHX-UHFFFAOYSA-N 405.445 5.439 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sc(-c2ccccc2)nc1C 587873290 XLAGWWVWHGQSEL-UHFFFAOYSA-N 407.470 5.208 0 1 HKAF C[S@](=O)c1ccc([C@H](CC2CCCC2)c2[nH]c3ncccc3c2Cl)cc1Cl 653780441 DKRAUWFHWZEQMO-OQRWROFFSA-N 421.393 6.319 0 1 HKAF CCOC(=O)C[C@@]1(CCCC(C)C)NC2(CC2)Cc2ccc(Br)cc21 961612264 FMVODULPKBFTSK-OAQYLSRUSA-N 408.380 5.102 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(C)Cc1ccc(O)cc1 961778369 CWDRZZIPDVEBPE-RUZDIDTESA-N 408.542 5.001 0 1 HKAF CCCCOc1ccc(C[C@H]2C(=O)OC[C@@H]2Cc2ccccc2)cc1OCCCC 1772652040 YBFKYEYPUZXFGZ-XZOQPEGZSA-N 410.554 5.619 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](c3ccsc3)Nc3c(ccc4c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c1cccc(-c2cccc(NC(=O)C3CCN(Cc4ccc(C)o4)CC3)c2)c1 12572587 UMQWBDOGYNINBU-UHFFFAOYSA-N 404.510 5.114 0 3 HKAF COc1ccc([C@@H]2C[C@H](c3ccccc3)Oc3cc(OC)c(OC)c(OC)c32)cc1 13661725 CFGQWBDCZVBPFW-VQTJNVASSA-N 406.478 5.377 0 3 HKAF Cc1nc(-c2ccccc2)sc1[C@@]1(C)CC(c2c(Cl)cccc2Cl)=NO1 13682736 UFQAICSIQPXPFV-HXUWFJFHSA-N 403.334 6.465 0 3 HKAF CC(C)(C)c1noc(-c2c(F)cccc2Cl)c1C(=O)NCCc1ccc(F)cc1 777194 YXDWPSOLAVWMOS-UHFFFAOYSA-N 418.871 5.543 0 1 HKAF CSc1ccnc2c1c(Sc1ccc(Cl)cc1)c1n2CCC[C@H]1CC(=O)O 3949527 GLEGXNCPSWSVAL-LBPRGKRZSA-N 418.971 5.915 0 1 HKAF Cc1ccc(S(=O)(=O)[C@H]2c3nc4ccccc4cc3-c3nc4ccccc4nc32)cc1 5845339 SDMIDEPAICYTQS-VWLOTQADSA-N 423.497 5.030 0 1 HKAF CC(=O)O[C@@H]1/C=C(/C)[C@@H](OC(=O)c2ccc(O)cc2)C/C=C(/C)CCCC1(C)C 6303078 YUURXLYREVDXOP-LLFPQALLSA-N 400.515 5.342 0 1 HKAF Cc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 13586702 AXXXUMWURVOUSY-UHFFFAOYSA-N 410.061 5.203 0 1 HKAF COC(=O)N1C(/C=C/C=C/c2ccc(OC)cc2)=Cc2ccccc2[C@H]1CC(C)=O 13817788 PSOQXJJOHWTUNT-XDILUJTGSA-N 403.478 5.408 0 1 HKAF CN(CCCc1ccccc1)CCN(C)CCOC(c1ccccc1)c1ccccc1 22938461 RLHULZKZUDFBGK-UHFFFAOYSA-N 416.609 5.289 0 1 HKAF CC(=O)Oc1cc2c(cc1OC(C)=O)[C@]1(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)C1=CC2 27186164 ADYQRAOXHWMSFZ-MZBJOSPHSA-N 424.537 5.083 0 1 HKAF COc1ccccc1C(=O)Nc1ccc(NC(=S)N[C@H](C)c2ccc(F)cc2)cc1 28372689 LDSWYNOVUGAEFH-OAHLLOKOSA-N 423.513 5.134 0 1 HKAF c1ccc(C(c2ccccc2)[C@H]2CC[C@H]3CN2CCN3c2ccc3ccccc3c2)cc1 28460429 BKGVRURENLJXJR-URLMMPGGSA-N 418.584 6.325 0 1 HKAF CCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(C(C)C)cc1 28823160 HDKIHBKIKZJXBX-MRXNPFEDSA-N 409.979 5.340 0 1 HKAF CCN(CC)CCCOc1cc2c(cn1)[C@H](c1ccc(Cl)c(Cl)c1)CN(C)C2 28825292 KVVJWXBYIMMQTR-IBGZPJMESA-N 422.400 5.076 0 1 HKAF CC[C@@]1(C[C@](O)(Cc2ccnc3ccccc23)C(F)(F)F)CCCc2ccccc21 28826160 AKRFUARLUXZAGZ-BJKOFHAPSA-N 413.483 6.145 0 1 HKAF CCc1nc(NC(CC)CC)c(CC)nc1Nc1c(Cl)cc(Cl)cc1Cl 28956159 UTONCNNCGVSCRX-UHFFFAOYSA-N 415.796 6.906 0 1 HKAF C[C@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O 33820975 GMTQWYNNGJJVNK-RJSVTCJLSA-N 418.662 6.533 0 1 HKAF COc1ccc2nc(/C=C/[C@@H]3[C@@H]4[C@@H](C)O[C@@H](OC)[C@@H]4C[C@@H]4CCCC[C@H]43)ccc2c1 34802858 XAFWFRHJOHTHQL-RNKGODBRSA-N 407.554 5.707 0 1 HKAF Cc1c(C(=O)Nc2cnc3ccccc3c2)sc2ncnc(N3CCCC[C@H]3C)c12 34864931 HELCBZCTOUMKFL-CQSZACIVSA-N 417.538 5.179 0 1 HKAF CCC1=C(C)/C(=C/c2ccc(C(=O)Nc3ccc(O)c(Cl)c3)cc2)CCC1(C)C 40380096 REQDRQBYVGBXOZ-XMHGGMMESA-N 409.957 7.228 0 1 HKAF C[C@H]1[C@@H]2Cc3cc4ncnc(NCc5ccccc5)c4cc3[C@@]1(C)CCN2CC1CC1 40879491 PGGRPGAMEVCOGX-STNVRERYSA-N 412.581 5.176 0 1 HKAF Cc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1C[C@@H]1SC(=O)NC1=O 45373018 LZXANMVLXMKDKG-HNNXBMFYSA-N 415.820 5.354 0 1 HKAF Cc1cc(OCCCN2Cc3cccnc3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1 49036381 PXEXXYIIWLQCNP-UHFFFAOYSA-N 416.500 5.166 0 1 HKAF O=C(C1CCCC1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2Cl)CC1 49049968 YJWNGKRHJQYLRY-JOCHJYFZSA-N 417.380 5.417 0 1 HKAF CC(C)(C)c1cc(N2CCC(N[C@H](c3ccc(Cl)cc3)c3cccnc3)CC2)[nH]n1 72184904 KMYNGYWLMPLCLN-HSZRJFAPSA-N 423.992 5.104 0 1 HKAF COc1cccc(OC[C@H]2Cc3ccccc3CN2C(=O)c2cccc3ccccc23)c1 84758513 NJSDUCSZCWDKMD-HSZRJFAPSA-N 423.512 5.495 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CCC=C(C)C 85866160 NXJJBCPAGHGVJC-MAYJZIKRSA-N 408.714 10.381 0 1 HKAF in-vitro COC1=CC(c2cc3ccccc3[nH]2)=N/C1=C\c1ccc(-c2cc3ccccc3[nH]2)[nH]1 95552361 GPFILPCGIWGAGV-QFEZKATASA-N 404.473 6.018 0 1 HKAF O=[N+]([O-])C1=Cc2cc(Cl)cc(Cl)c2O[C@@H]1c1ccc(Br)cc1 96910434 DBGGZXHASFDKKU-OAHLLOKOSA-N 401.043 5.507 0 1 HKAF CN1CCC(Oc2ccc(-c3[nH]nc4cccc(OCC5CCCCC5)c34)cc2)CC1 98208000 ZXTGHNQQRVHEIZ-UHFFFAOYSA-N 419.569 5.662 0 1 HKAF in-vitro CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccsc2)C2=C(O)CC(C)(C)CC2=N1 100630645 JVHDGAAXISWKOF-HXUWFJFHSA-N 410.514 5.970 0 1 HKAF NC1(c2ccc(-c3nc4cc(-c5cc[nH]n5)ccn4c3-c3ccccc3)cc2)CCC1 113657379 DNLPIJXLHBUSLS-UHFFFAOYSA-N 405.505 5.396 0 1 HKAF Clc1ccc(CN[C@@H](CNc2ccccc2)COc2cccc3cnccc23)cc1 169329853 BTGWUZJVXNMPQI-QHCPKHFHSA-N 417.940 5.538 0 1 HKAF CC(C)=CC[C@@H]1[C@@H](C)[C@H]2CC[C@H](C)[C@]13CC=C1C(C)(C)CCC[C@]1(C)[C@@H]3CC[C@@H]2C 238733125 KMSDUWAKPPZGJP-ZGSXSRNESA-N 410.730 9.220 0 1 HKAF CC(C)c1cc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c(O)c(C(C)C)c1 586895955 DCSOSAPSAQUUQK-UHFFFAOYSA-N 400.522 6.761 0 1 HKAF CC(C)c1cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c(O)c(C(C)C)c1 586896879 TXPGNMYHUSTEGT-UHFFFAOYSA-N 409.274 6.223 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2ccc(F)c(C)c2[nH]1 586981669 LCKZIEKNRBCUHC-UHFFFAOYSA-N 405.311 6.399 0 1 HKAF COc1cc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c2cc1C 586982163 SZDUSLXXTJUAAO-UHFFFAOYSA-N 403.320 5.734 0 1 HKAF CCOC(=O)[C@H]1C[C@@H](C(C)C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990318 CRMRZMPSXPPDRE-KSSFIOAISA-N 415.489 5.017 0 1 HKAF COc1cccc(/C=C2\CCCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)c1 586991409 KFHZCAWDAUVJGP-SAPNQHFASA-N 419.480 6.037 0 1 HKAF Cc1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1C 587000639 ONAUNDRUAINQFM-UHFFFAOYSA-N 407.315 5.616 0 1 HKAF COC(=O)c1cc2nc([C@@H]3Cc4ccccc4S3)[nH]c2c(F)c1Nc1ccccc1 587042485 KXKPELQLBMUACQ-SFHVURJKSA-N 419.481 5.622 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2)c1 587050835 ULYAQEZHCQFHIA-UHFFFAOYSA-N 402.763 5.123 0 1 HKAF CCCCCOc1cc2nc(-c3ccc(O)cc3Cl)[nH]c2cc1Br 587055339 OVDALEOSFJJUOF-UHFFFAOYSA-N 409.711 5.920 0 1 HKAF COc1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Cl 587070299 UESFZOUUBGJHRH-QGOAFFKASA-N 423.343 7.052 0 1 HKAF Cc1cc(Br)cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587083362 QERPDEFFHXDLPT-UHFFFAOYSA-N 407.098 6.156 0 1 HKAF CC(=O)c1ccc2nc(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)[nH]c2c1 587083416 SPWPHRBXHSAGHK-UHFFFAOYSA-N 401.853 6.203 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCOc3cc(F)ccc32)[C@H]1c1ccc(F)cc1 587340300 XSRQMWHZFUIGSF-UPVQGACJSA-N 408.400 5.097 0 1 HKAF Cc1ccccc1[C@@H]1C[C@@H]1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355068 PQHXJUNSQUYUJQ-TVKXAPEFSA-N 402.465 5.761 0 1 HKAF O=C1c2ccc(O)cc2OC2([C@H]3CC[C@H]2Cc2ccccc2C3)[C@H]1c1ccc(F)cc1 587355804 WINYYNOJGDMIND-RLSLOFABSA-N 414.476 5.454 0 1 HKAF COc1cccc(-c2c(Cc3nc4ccccc4o3)cnc3c2oc2ccccc23)c1 587362124 FJELAWIXFJVQEZ-UHFFFAOYSA-N 406.441 6.389 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2ccc(Br)cc21 587372043 NTYKWDGAKFLWIO-JOCHJYFZSA-N 406.279 5.229 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3cccc(C(F)(F)F)c3)nc1)O2 587381471 JMOXEVWVOCKFDM-LJQANCHMSA-N 414.383 5.490 0 1 HKAF CCOC(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2cc(C)cc(N)c2O1 587401824 YYDQQEMDQNDSNK-SANMLTNESA-N 415.489 5.058 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Cl)cc1Br)CC2=O 587455320 ABGRZPSRFPHMTB-IBGZPJMESA-N 409.707 5.641 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1cc(Cl)cs1)CC2=O 587465101 AKILQLIIQHPOIA-JOCHJYFZSA-N 416.901 6.108 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(SC(F)F)c(OC)c1)CC2=O 587467867 UWGATDASMQTLOS-OAQYLSRUSA-N 408.466 5.549 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1cccc(C)c1)([C@H](CC)C(=O)OCC)CC2=O 587479342 HSGVPBIRMQXASA-NLFFAJNJSA-N 410.510 5.103 0 1 HKAF CCCCCS(=O)(=O)c1cccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c1 587489648 VJEBYGCWIQYVGF-JOCHJYFZSA-N 416.539 5.015 0 1 HKAF CCCCc1ccc([C@@]2(CCCC(=O)O)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587490131 QRFWWNNRIJMTHP-AREMUKBSSA-N 424.537 5.803 0 1 HKAF CC1=COc2c(Cl)cc(Cl)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587498687 JRCBJCIKQJVCAO-QFIPXVFZSA-N 401.289 6.029 0 1 HKAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccncc1 587514780 JYEXZETUFFKIDN-XMMPIXPASA-N 415.489 5.255 0 1 HKAF Cc1cc(OC(F)F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587554730 JBEAEIQYXBVTKZ-SIKLNZKXSA-N 412.388 5.313 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(SC(F)(F)F)c1 587556984 PRGCRQSHVDYWJV-YLJYHZDGSA-N 418.392 5.707 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(SC2CCCC2)cc1 587614834 VFVVDUVKPHVVBX-DHLKQENFSA-N 418.514 6.130 0 1 HKAF COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2cccnc2)cc1 587623742 NZEXXVWKNASESG-UHFFFAOYSA-N 419.282 5.544 0 1 HKAF Cc1c(Br)cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587675842 DFYDMOAFPCPNKU-HUTHGQBESA-N 413.128 5.283 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)cc2)N1 587676172 CRWLHYHJZVEGRR-DYZYQPBXSA-N 413.128 5.148 0 1 HKAF CC(C)n1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 587753942 CDIMUDWWILLXGF-BUXKBTBVSA-N 402.311 5.142 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2N2CCCCCC2)N1 587764345 DPZUXNMPTPGKKC-NQERJWCQSA-N 409.387 5.136 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(N3CCCCC3)c2)N1 587766340 NDXMJWSVZIYQAN-LHSJRXKWSA-N 403.339 5.202 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccn2)(C2CCCCC2)N1 587770043 HVABDMCDSUPTJT-LHSJRXKWSA-N 403.339 5.341 0 1 HKAF CC(C)[C@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804051 QUPGHKLFLVWMOH-YEJXKQKISA-N 401.323 5.503 0 1 HKAF CC[C@H](C)c1ccc(OC)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587808804 QSZHRFVVHKFMSX-OSRJUQGESA-N 406.339 5.734 0 1 HKAF CC1=C(/C=C\[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)CCC1 587815065 KDWBNHZLDANXGM-YOFWAZADSA-N 406.383 6.420 0 1 HKAF Cc1ccc([C@]2(C3CCCCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587821211 TYPOZPHXHHNVSJ-MWTRTKDXSA-N 416.378 6.255 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CNc1cccc(OC)c1 587859544 ZADQQNCFVRCONA-UHFFFAOYSA-N 420.296 5.017 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1ccc(Br)cc1 587861420 PEQVUZBSZBYQFH-UHFFFAOYSA-N 411.221 5.388 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@@H]1C12CC(CC(=O)OC(C)(C)C)(C1)C2 962400130 SNDDQEJLWYLEMR-DNFKCEGXSA-N 412.599 5.088 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(-c3ccccc3C(=O)OC)cc2)N1 962938895 AKPAOHAZQCVWAQ-KBMIEXCESA-N 410.517 5.635 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2ccccc2C)(c2cncc3ccccc23)N1 962946896 MFVVTOKMRSRYGA-LGGPFLRQSA-N 417.556 6.241 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(-c3cnc(OC)cc3C)s2)N1 962962936 YUAOZSLCJNNADD-MYYSRTQBSA-N 403.551 5.622 0 1 HKAF CCOC(=O)CCCCCC[C@@]1(C2CCC2)NCCc2cnc3c(OC)cccc3c21 963062425 CQSQNXUHJRYAQR-SANMLTNESA-N 424.585 5.288 0 1 HKAF C/C=C(\C)C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)[nH]nc3c2)c1 1772599490 GLYIVGNWOCOEJL-AALHFQTCSA-N 421.500 5.869 0 1 HKAF O=C1CC(c2cccc(NC(=O)c3cnc4ccccc4c3)c2)=Nc2cscc2N1 1857643240 WJAAPLOMQSGWOI-UHFFFAOYSA-N 412.474 5.012 0 1 HKAF C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](OC(=O)C3CCCCC3)CC[C@H]12 2356308517 YOVFVQWNQMEMNF-FYQHCMNTSA-N 400.603 6.090 0 1 HKAF CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@@]1(C)[C@H]2CC[C@H]2[C@H]3C(=O)CC[C@@]3(C)CC[C@@]21C 2356464488 LSUIHIUUMWDFSZ-CZMYDMQCSA-N 400.647 6.402 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](C)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356630987 MHYKVQQPBSKDET-INTJLUCXSA-N 418.706 6.830 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356638663 NBJZGNFIZZWBOJ-YGAQHBIRSA-N 416.690 6.894 0 1 HKAF CC1(C)O[C@H]2C[C@@H](CCc3ccccc3)OC(=O)[C@@]2(C)[C@@H](C=Cc2ccccc2)O1 2356654805 KUVJTOPFKQLXGB-ONJIFJTESA-N 406.522 5.175 0 1 HKAF CCN(CCO)c1ccc(Nc2cc(-c3ccc(-c4ccccc4)cc3)ncn2)cc1 61897004 FCBYRRBZDAKOIL-UHFFFAOYSA-N 410.521 5.373 0 3 HKAF COc1ccccc1NC(=O)OCCN1CCCC12CCC(c1ccccc1)CC2 205709936 DSWMTJQULCIXPE-UHFFFAOYSA-N 408.542 5.436 0 3 HKAF C[C@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 5762783 DKISDYAXCJJSLZ-MMAJPIPGSA-N 404.679 6.441 0 1 HKAF O=C1CS[C@H](c2cccc(Oc3ccccc3)c2)N1c1cc(Cl)ccc1Cl 6040333 DTDTUSBHAUXNAR-OAQYLSRUSA-N 416.329 6.564 0 1 HKAF CC(C)=CCc1c2c(c(O)c3c(-c4ccccc4)cc(=O)oc13)C(=O)[C@H](C)[C@@H](C)O2 13382520 LCHRCBXGRPWRBG-HUUCEWRRSA-N 404.462 5.274 0 1 HKAF biogenic,in-vitro O=c1c(-c2ccc(C(F)(F)F)cc2)cccn1[C@@H](Cn1ccnc1)c1ccccc1 13488437 KCGULYCKVHGSFH-NRFANRHFSA-N 409.411 5.020 0 1 HKAF CSc1cc(CSc2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)ccc1O 13491682 NASDUDDBDLFKER-UHFFFAOYSA-N 423.538 5.998 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)NC(=O)N1CCC(c2ccccc2)CC1 13738006 VHYKZTVJUFXKEL-UHFFFAOYSA-N 407.558 6.055 0 1 HKAF COc1ccc(-c2ccccc2[C@@H]2[C@H]3C=CCC[C@@]3(C)C(=O)N2Cc2ccccc2)cc1 13829783 HSBMVFCIUCQNEN-LSMIHOHGSA-N 423.556 6.418 0 1 HKAF CN(C(=O)CCCOc1ccc(Cl)cc1Cl)[C@@H]1CCCC[C@H]1N1CCCC1 26833919 RQIUSCCNFMWMFJ-RTBURBONSA-N 413.389 5.018 0 1 HKAF COC(=O)c1ccc(CCc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 26953902 AFECYHQHVIVPNI-UHFFFAOYSA-N 404.897 5.310 0 1 HKAF COc1cccc(CN2CCCCCCC2)c1OCc1csc(-c2ccccc2)n1 28525578 YPYZRWHMPFMODX-UHFFFAOYSA-N 422.594 6.164 0 1 HKAF CC[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)c(CCCOCc2ccccc2)c1 29399457 VITJPUXVMNSXDP-KAYWLYCHSA-N 418.577 6.935 0 1 HKAF Cc1[nH]c2ccc(Cl)cc2c1C1CCN([C@H]2Cc3cccc4cccc2c34)CC1 36221526 OGLIFFKVFKYPEO-DEOSSOPVSA-N 400.953 6.760 0 1 HKAF COC(=O)c1ccc(NCc2cncn2Cc2cccc(F)c2)cc1-c1ccccc1 40428733 WHOGJGCEVKGHMF-UHFFFAOYSA-N 415.468 5.136 0 1 HKAF O[C@H](CNc1ccnc(Nc2cccc(Cl)c2)n1)c1ccc(C(F)(F)F)cc1 45334876 HOYZPPZYXXOQRC-MRXNPFEDSA-N 408.811 5.038 0 1 HKAF O=C1COc2ccc(-c3nn(-c4ccc(Cl)cc4)cc3-c3ccccc3)cc2N1 72118711 LPTDZYAUELXWQD-UHFFFAOYSA-N 401.853 5.191 0 1 HKAF CC[C@@H](C)Nc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc(F)cc2)n1 82139518 GSPRYJQTUWNNGX-XJLXEZPNSA-N 424.564 5.294 0 1 HKAF Cc1ccc(CCNc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccco3)n2)cc1 82142693 AEYMMUZKJSDFSB-UHFFFAOYSA-N 418.541 5.104 0 1 HKAF CSCC[C@H](Nc1nc(-c2cccc(C)c2)cs1)C(=O)NC1CCCCC1 82191885 XNTSMLRLOSUBPF-SFHVURJKSA-N 403.617 5.101 0 1 HKAF Nc1c2c(nc3c1[C@H](c1cccc(F)c1)c1c(c4ccccc4oc1=O)O3)CCCC2 96284177 JSMOJRVVJOBNCY-IBGZPJMESA-N 414.436 5.074 0 1 HKAF COc1cccc(C(=O)Nc2nc3ccc4nc(NCC(C)C)sc4c3s2)c1 96929301 BDTQWMIWGYAFDN-UHFFFAOYSA-N 412.540 5.235 0 1 HKAF COc1ccc(-c2cccc([C@@H](C)C(=O)Nc3ccc(-c4ccnc(C)c4)cc3)c2)cc1 103273461 JFULHNJRFZLGIX-HXUWFJFHSA-N 422.528 6.475 0 1 HKAF CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2ccccc2)C2=C(O)CC(C)(C)CC2=N1 103872800 DOBQCAKZVLHMGF-QFIPXVFZSA-N 401.510 5.473 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CC(=O)NCC[C@@]43C)[C@@H]1CC=C2c1cncc(C(F)F)c1 144185509 QCQHONZVRCJAEE-QAFRFGFQSA-N 414.540 5.781 0 1 HKAF CC1(C)[C@@H](O)CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5CCCC(C)(C)[C@@]5(C)CC[C@]4(C)C3=CC[C@@H]12 238766699 VOFFFRIERAPYGK-HSTXRJPZSA-N 424.713 8.089 0 1 HKAF CC(C)[C@H]1CC[C@@H]2C3=CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]21C 255201964 CFSDWXPIIWGIDB-MKLJWMMNSA-N 410.730 9.054 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]32C)O[C@@]12CC[C@@H](C)CN2 255224286 KWVISVAMQJWJSZ-HDHZELLYSA-N 413.646 5.287 0 1 HKAF CN1[C@H]2CC[C@H]1[C@@H](COC(c1ccccc1)c1ccccc1)[C@@H](c1ccc(F)cc1)C2 261126409 KHRLEZKJOSUGEB-XUJYPJAKSA-N 415.552 6.198 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(Br)c(C)nc3[nH]2)c1 586879980 VYBRAHGIIWCCJG-UHFFFAOYSA-N 420.310 5.544 0 1 HKAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 586890592 RHAQKGIRFUIVOB-QLJPJBMISA-N 413.237 5.490 0 1 HKAF Nc1ncc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c(-c2ccccc2Cl)n1 587060959 RBMMWGVVURBHCE-UHFFFAOYSA-N 421.835 5.534 0 1 HKAF C[C@@]1(c2c(F)cc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331241 IXUGDSNOEYSPKI-SIKLNZKXSA-N 402.343 5.223 0 1 HKAF COc1cccc(-c2c(C)c(-c3c(F)cc(F)cc3F)nc3c2oc2ccccc23)c1 587360916 UFQUPVXFWYBUEB-UHFFFAOYSA-N 419.402 7.049 0 1 HKAF C=C1NC(C)=Cn2nc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)cc21 587364103 XEAZWXAGEGOQKB-UHFFFAOYSA-N 420.472 5.912 0 1 HKAF COc1ccc(CCc2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 587364109 WVQZLYUJTUJLEO-UHFFFAOYSA-N 409.485 6.450 0 1 HKAF COc1cccc(COc2cccc(Cl)c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587375378 LSQGLSGTSKTAHQ-QFIPXVFZSA-N 423.896 5.525 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Oc3ccc(Cl)c(Cl)c3)c1)O2 587377397 HLPUYPWLKHAIII-NRFANRHFSA-N 414.288 6.383 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(F)c(F)c3)nc3ccc(C)cn13)O2 587384649 GZVLNAGHVOWKCE-FQEVSTJZSA-N 419.431 5.185 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1cc(Cl)cc(Cl)c1)CC2=O 587461056 JNICMBKLVCVYSO-FMFFHWJCSA-N 420.336 5.588 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(SC)sc(SC)c1CO)CC2=O 587490574 HVEUHGPVJJMERY-HNNXBMFYSA-N 410.582 5.049 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3ccc(SC)cc3nc1Cl)CC2=O 587494007 VRPZLCBOUCWVRD-HXUWFJFHSA-N 413.926 5.975 0 1 HKAF O=C1C[C@@](c2ccc(F)cc2)([C@H]2CC[C@@H](C(=O)O)C2)Oc2c1ccc1c2CCCC1 587508004 XIKYXQXDTHWPPL-JTWNBILESA-N 408.469 5.066 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1cccc(Cl)c1)CC2 587543959 CTHHXCARLMGAPN-OAQYLSRUSA-N 421.880 5.046 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(Cl)ccc1C(F)(F)F 587547682 MAIADKXGPKVRQF-DNVCBOLYSA-N 421.758 5.162 0 1 HKAF CC(C)[C@@]1(c2ccc(Cl)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552974 DGBZABVEMCLOQB-REWPJTCUSA-N 412.844 5.698 0 1 HKAF CCc1ccccc1-n1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587577039 LPLSTBPBRDMHGJ-ZEQKJWHPSA-N 411.457 5.448 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(C(=O)Nc3ccc(F)cc3C)c2c1 587642115 LYXUPOSPKXJHPP-INIZCTEOSA-N 400.497 7.048 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCOc3cc(Cl)ccc32)N1 587692407 BIBJDRYCJSKJMA-NSPYISDASA-N 410.714 5.192 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)(F)F)c(Cl)c2)N1 587714566 VZVBDVOFOSMOHK-BCTVWOGZSA-N 422.647 5.884 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)cc(Cl)cc2F)N1 587721078 OPNHXEWVRURPNV-QPFGOUBPSA-N 404.657 5.318 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2Nc2ccccc2)N1 587749084 MVIQWIFDMZOYEW-IFZYUDKTSA-N 403.339 5.372 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2Nc2ccccc2)N1 587749714 QFBQSAKUKPZNCS-IQVOZAENSA-N 403.339 5.372 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccccc3)nc2)N1 587767806 BDRSTOBVJIZXNZ-YEJXKQKISA-N 413.290 5.399 0 1 HKAF COc1cccc(OCc2ccc(-c3nc4cc(Br)ccc4[nH]3)cc2)c1 587781913 YUBAHIUZEZROSX-UHFFFAOYSA-N 409.283 5.580 0 1 HKAF Cc1cc(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C=O 587816313 WGZJJTCGSJAWPZ-YEJXKQKISA-N 404.323 5.124 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc3ccc(Cl)nc23)N1 587857514 KVKAXTOQPKJOSY-BCTVWOGZSA-N 411.727 5.475 0 1 HKAF Cc1ccccc1C(C)(C)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587954625 CDZSMPPJEXSFGK-UHFFFAOYSA-N 413.237 5.858 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@@]12CCCC[C@H]2C(=O)c1ccccc1 962398393 NGJROJXMBFOGPG-WIOPSUGQSA-N 404.579 5.413 0 1 HKAF COc1ccc2c(c1OC)[C@@](c1ccccc1)(c1cncc3ccccc13)N(C)[C@H](C)C2 962625358 NBYXUFQKPMFSJB-WHLCRQNOSA-N 424.544 5.420 0 1 HKAF Cc1cc(F)ccc1-c1ccc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)o1 962973366 KLIXTDMTBYPZGX-MGPUTAFESA-N 421.802 5.014 0 1 HKAF C[C@@]1(c2ccc3ncc(Br)cc3c2)c2c(F)cccc2C[C@H]2CCCN21 963091742 AAIVDPITXQWOSW-XMSQKQJNSA-N 411.318 5.420 0 1 HKAF Cc1nc(-c2ccc([C@H]3c4cccc(Br)c4CCN3C)s2)cs1 963281613 SSLFSWORQNQVGX-GOSISDBHSA-N 405.386 5.520 0 1 HKAF COC(C)(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CNc3cccc(O)c3)CCC[C@@]21C 1857549769 ZAISNORFBMTUIL-OYYJDRQSSA-N 401.635 6.868 0 1 HKAF O=S(=O)(c1ccc(Oc2cc(F)cc(Cl)c2)c(C(F)F)c1)C(F)(F)F 1857633165 YFYNWXCRDHBCSY-UHFFFAOYSA-N 404.715 5.503 0 1 HKAF Cc1ccccc1Cn1c2ccccc2c2cc(CO)nc(-c3c[nH]c4ccccc34)c21 1857648100 VTNGGXRLGIZHQZ-UHFFFAOYSA-N 417.512 6.187 0 1 HKAF CC(C)c1cc(CCOc2ccccc2C(=O)O)cc(-c2ccc3c(c2)[C@H](N)CO3)c1 1911584427 RHEKWNPDSIWZKZ-HSZRJFAPSA-N 417.505 5.189 0 1 HKAF CC(C)C[C@H](C)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 1911586534 DEIOTHKQAGSPIY-YCRPNKLZSA-N 401.348 5.227 0 1 HKAF CC1=C[C@H](CNCC2CCCCC2)[C@@H](C(C)C)C[C@@H]1Cc1nc2cccc(C)c2[nH]1 2356356254 KZTOZSHNNTXTQH-WXFUMESZSA-N 407.646 6.438 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCCC1=CCc2cc(C(=O)O)ccc2OC1 2356468897 URXNJUNXUWLMAY-UHFFFAOYSA-N 408.582 7.446 0 1 HKAF C[C@]1(CCCCCCCCCCCCc2ccccc2)C[C@@]2(C)OC(=O)C[C@H]2O1 2356540465 ZACGRLMWLYWKER-DMTNHVFBSA-N 400.603 6.773 0 1 HKAF C[C@@]1(c2nnc(-c3cccc(Cl)c3)o2)CC(c2ccc(Br)cc2)=NO1 12477160 MWWNHJKMYNUHFA-SFHVURJKSA-N 418.678 5.192 0 3 HKAF Cc1cccc(N2C(=O)N3[C@H]4c5ccccc5OC[C@@H]4[C@@H](c4ccccc4)[C@@]3(C)C2=O)c1 61959513 SRCMJMZEAWKGPN-LLUKFRMWSA-N 424.500 5.070 0 3 HKAF Oc1ccc2[nH]cc(C3CCN(CCC(c4ccccc4)c4ccccc4)CC3)c2c1 584276 GYVRCUXOPIYZKR-UHFFFAOYSA-N 410.561 6.275 0 1 HKAF Cc1cccc2sc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc45)CC3)cc12 13490086 UWNRSBXJNBDEPS-IBGZPJMESA-N 420.578 5.310 0 1 HKAF COc1ccc(C2(C(=O)OCCCN3CCC(c4ccccc4)CC3)CCCC2)cc1 13737411 IQBMDOQXYYCXFR-UHFFFAOYSA-N 421.581 5.320 0 1 HKAF O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1cccc(Cl)c1Cl 15658249 RGECEZRUUZNDBV-UHFFFAOYSA-N 403.294 5.105 0 1 HKAF Cc1cc(C(=O)Nc2cccc(Br)c2)nn1-c1cccc(C(F)(F)F)c1 26381382 GGQLLHRNRXOVAU-UHFFFAOYSA-N 424.220 5.214 0 1 HKAF CC1=CC[C@@H](C)O[C@@]2(C1)C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 36381970 DIMLQSPLVRAKGM-OPAMFIHVSA-N 412.327 5.336 0 1 HKAF Fc1cc(F)c(-c2c(Cl)nc(-c3cccs3)nc2NCC(F)(F)F)c(F)c1 40392773 JPNHKLURIKULOR-UHFFFAOYSA-N 423.769 5.917 0 1 HKAF Cc1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(Br)cc32)c1 40878793 UQUSVHJUXYDBQA-INIZCTEOSA-N 405.361 5.346 0 1 HKAF NCCCOc1ccccc1C(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 43079812 GYBCZPSNDNTEHI-UHFFFAOYSA-N 419.506 5.069 0 1 HKAF Cc1cc(C)c(N2CCCn3c2nc(C(F)(F)F)c3CN2CCCCC2)c(C)c1 49052029 RAMQAGDDWDVZIL-UHFFFAOYSA-N 406.496 5.355 0 1 HKAF Cc1[nH]c2ccc(Cl)cc2c1-c1ccnc(N2CCN(c3ccc(F)cc3)CC2)n1 72108718 ZEDPEYMNHKLBHO-UHFFFAOYSA-N 421.907 5.052 0 1 HKAF COc1ccc(-c2oc3ccc(C)cc3c2C(=O)c2cccc(OC)c2OC)cc1 72178005 GVKCYMQXNMEXAD-UHFFFAOYSA-N 402.446 5.665 0 1 HKAF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NCc2ccccc2)nc1-c1ccc(F)cc1 82139407 MENUSXUKUJQSLW-HTAPYJJXSA-N 418.516 5.203 0 1 HKAF Cc1ccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccccc3)n2)cc1 82163382 RJZXELJTQBKRLN-UHFFFAOYSA-N 400.551 5.847 0 1 HKAF CCCCCc1nc(-c2cnc(NC3CCCCC3)nc2-c2ccc(F)cc2)oc1C 82164134 JTJWDVBADYJQIH-UHFFFAOYSA-N 422.548 6.723 0 1 HKAF CC1(C)Oc2cc(C(=O)c3cc4ccccc4s3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21 84725116 HWIZFJLXODSRNN-BRWVUGGUSA-N 408.519 5.254 0 1 HKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCOC[C@]1(C)CCc2cc(O)c(F)cc2O1 95574148 JELMBHCKEXSVGQ-WOVHNISZSA-N 422.625 7.291 0 1 HKAF CC(C)[C@@H](C)[C@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137558266 VYPDNFZRAJIGCV-LPFPAVRFSA-N 414.718 7.571 0 1 HKAF N=C1S[C@@H](c2ccc(Cl)cc2)c2cnn(C(=O)c3ccc(Cl)cc3)c2C1=N 169291191 NMLMKEDFGRGSRK-KRWDZBQOSA-N 415.305 5.060 0 1 HKAF CN(Cc1ccccc1)c1cccc(-c2cc(N[C@H]3CC[C@H](N)CC3)ncc2Cl)n1 169703674 DPUSROIQZPAMDT-KDURUIRLSA-N 421.976 5.115 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@H]1c1ccc(-c2ccccc2F)cc1 169728374 OWFXWHQLNGDRFV-ZEQRLZLVSA-N 419.496 5.483 0 1 HKAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1ncnn1C1CCCC1 169729630 UJDLQDZTVHCHKY-RBUKOAKNSA-N 415.328 5.376 0 1 HKAF CN(c1ccccc1)c1cccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1 205316484 XNJNPZRTTAILSA-UHFFFAOYSA-N 403.913 5.562 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(-n5cnnn5)ccc4[nH]3)cc2)CC1 586879864 IOECHPUSDJSTTL-IYARVYRRSA-N 400.530 5.670 0 1 HKAF CCCC(Br)(CCC)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 586970208 BUSMUTZKSOKSET-UHFFFAOYSA-N 418.129 5.214 0 1 HKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(Br)cc(C)c2[nH]1 587044940 XOEYCOIVTBWFJM-UHFFFAOYSA-N 416.102 5.625 0 1 HKAF Clc1cccc(COc2ccc(/C=C\c3nc4ccc5ncccc5c4[nH]3)cc2)c1 587068845 AODZWWPINKWLAZ-JYRVWZFOSA-N 411.892 6.514 0 1 HKAF Cc1onc(-c2nc3c(C(F)(F)F)cccc3[nH]2)c1COc1ccc(Cl)cc1 587076407 SBLNLAWEIATYNK-UHFFFAOYSA-N 407.779 5.778 0 1 HKAF FC(F)(F)c1ccccc1Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587109128 YJIDDJRDVFIHKM-UHFFFAOYSA-N 409.436 6.449 0 1 HKAF FC(F)(F)Oc1cccc(CSCc2nc3cc(Cl)cc(Cl)c3[nH]2)c1 587125132 QDFBJYLUQZISNB-UHFFFAOYSA-N 407.244 6.202 0 1 HKAF Nc1cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)ccc1F 587139710 RBHLQJQZAZOSNC-UHFFFAOYSA-N 412.262 5.293 0 1 HKAF CC(C)COc1cc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c2cc1Br 587174824 MBAFIYICWORINM-UHFFFAOYSA-N 416.294 5.571 0 1 HKAF COc1ccc([C@@]2(C(C)(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587346345 BJRQVEBDIOEQOF-ZEQKJWHPSA-N 420.480 5.840 0 1 HKAF CC(C)[C@]1(COCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346914 CKFPBOCYGXMNCR-AHWVRZQESA-N 420.480 5.502 0 1 HKAF COc1cccc(-c2cc(-c3ccc(O)c(C(N)=O)c3)nc3c2oc2ccccc23)c1 587362697 JWGLEUGTZSEKAQ-UHFFFAOYSA-N 410.429 5.128 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](c2ccccc2)C[C@H]3C)c1 587364722 BRSAVKDZEVFTSG-NQIIRXRSSA-N 419.524 7.490 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cc(Cl)ccc3C(=O)O)cc1)O2 587376460 DAOHREXNRWNVGU-NRFANRHFSA-N 407.853 5.302 0 1 HKAF Cc1ccc([C@@]2([C@@H](C)Oc3ccc(C=O)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587398905 GKZIXKQOFUFWPE-DWXRJYCRSA-N 415.489 5.026 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Br)c(Cl)nc1C)CC2=O 587456869 CBDLSEYQJXHAGO-LJQANCHMSA-N 424.722 5.345 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1ccccc1)CC2=O 587477086 UKIRDEBOPLIMEV-RUZDIDTESA-N 424.500 5.904 0 1 HKAF O=C1C[C@]2(CCc3c(Cl)cc(Br)cc32)Oc2c1ccc1c2CCCC1 587498571 OOQAZYQTBQKGFD-NRFANRHFSA-N 417.730 5.788 0 1 HKAF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN1CCCC1 587513880 LOGAMJFLSQQQPU-AREMUKBSSA-N 405.538 5.050 0 1 HKAF Cn1c(C[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)nc2ccccc21 587514642 HUSVMCWLOWPTKF-MUUNZHRXSA-N 422.528 5.556 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCSc1cc(F)c(F)cc12 587570843 MFVYILLEMVUPHZ-DENIHFKCSA-N 412.413 5.023 0 1 HKAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@H]1CCCN1C(=O)OC(C)(C)C 587623634 KQMNKSLKPLACGZ-CQSZACIVSA-N 419.323 5.187 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cc(C(F)(F)F)cc2F)N1 587713576 SPGHZVRZXBJEMP-VGDKGRGNSA-N 424.182 5.509 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCN(Cc3ccccc3)CC2)N1 587766140 FQKDMJLCCJSPBJ-IVZQSRNASA-N 417.366 5.076 0 1 HKAF COc1ccc(CCCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(OC)c1 587928373 FEEJGFFYSNXFIL-UHFFFAOYSA-N 414.811 5.307 0 1 HKAF COc1cccc(C(=O)c2ccc(-c3nc4cc(Br)c(C)cc4[nH]3)cc2)c1 587932086 LIFODCNNAJQVGX-UHFFFAOYSA-N 421.294 5.540 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc(C[C@@H]5C[C@H]5c5ccccc5)[nH]c4c3)o2)cc1 587959956 JGUBBFMCSJCFJO-FPOVZHCZSA-N 422.488 5.635 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(/C=C/c4cccc5ccccc45)[nH]c3c2)cc1 587968728 OSSMCTPVAOAVMS-LFIBNONCSA-N 420.468 6.465 0 1 HKAF COc1ccc(-c2nc3cc(/C=C4\C(=O)Nc5ccc(Cl)cc54)ccc3[nH]2)cc1 653890194 BJWTYZDMOAKFRE-ZDLGFXPLSA-N 401.853 5.385 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CCN(Cc3ccccc3)c3ccccc32)N1 962944900 IFQOBNDWYQMDNH-LYZGTLIUSA-N 407.561 5.746 0 1 HKAF Fc1cccc2c1[C@H](c1c(-c3ccc(Cl)cc3)[nH]c3ccccc13)N1CCC[C@H]1C2 963093262 BIJYGQUFFKMANA-AFMDSPMNSA-N 416.927 6.737 0 1 HKAF Cc1cc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc(C)c1OCc1ccccc1 963100762 JGGAANBGVDNDQC-AZGAKELHSA-N 401.525 6.131 0 1 HKAF Cc1ccc(CC[C@@]2(c3cccc(F)c3)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963113522 RLVSRNIMKQLNSR-RPLLCQBOSA-N 403.516 6.170 0 1 HKAF CCCC[C@]1(C(C)C)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccccc1N 963150649 WHYKTZPREVTJRO-VWLOTQADSA-N 410.558 5.026 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2 963230771 AIVRKCAHCHQFCY-DFBJGRDBSA-N 420.597 6.120 0 1 HKAF NC(=O)c1ccc(Oc2ccc(CN3CCC[C@H]3c3cccnc3)cc2)c2ccccc12 1772577150 VGAWXDFDRQDKRY-VWLOTQADSA-N 423.516 5.463 0 1 HKAF O=C(CN1CCC[C@@H](c2nc3ccc(F)cc3[nH]2)C1)c1cc(Cl)cc(Cl)c1 1772589707 LURAPHTZFYQXNX-GFCCVEGCSA-N 406.288 5.071 0 1 HKAF Clc1cc(Cl)cc(CN[C@H]2CCC[C@H](c3nc4ccc(Cl)nc4[nH]3)C2)c1 1772602003 RYGMQGKMDCABQZ-WFASDCNBSA-N 409.748 5.734 0 1 HKAF CCCSc1nc(NCc2ccc(O)cc2)c2nc(Nc3ccccc3)sc2n1 1772604342 SYRWFEUOCAJJLJ-UHFFFAOYSA-N 423.567 5.650 0 1 HKAF Cc1nc(CSc2nc(N)c3c4c(sc3n2)C[C@H](C(C)(C)C)CC4)sc1C 1857631999 QGZXQUYPEZSKLB-GFCCVEGCSA-N 418.657 5.790 0 1 HKAF Cc1cc(=O)oc2cc(OCCCCCCSC(=S)N3CCCCC3)ccc12 1857635366 ZAJSOHVCTIJVQN-UHFFFAOYSA-N 419.612 5.545 0 1 HKAF CCC[P@@](=O)(Oc1ccccc1)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 1911577304 WOHAKZQAGRWZAR-WVXBCFDCSA-N 423.449 6.379 0 1 HKAF COc1c(OC)c(-c2c[nH]c3ccccc23)c(OC)c(O)c1-c1c[nH]c2ccccc12 2356323816 DXNXQINQHTTZTJ-UHFFFAOYSA-N 414.461 5.715 0 1 HKAF CC(C)=C1CCN[C@@H]1C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](N)CC[C@]4(C)[C@@H]3CC[C@]21C 2356337095 VJHRMJFJZGQHMU-KPGCATCBSA-N 424.717 6.617 0 1 HKAF C[C@@H](C=CC[C@@H](C)[C@H](C)O)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356395723 UXZPNUUPUOEZMX-YCSMAMQVSA-N 412.658 6.734 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](O)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 2356422371 AUHVNMOANKGXPA-HZOVNBSOSA-N 414.674 6.382 0 1 HKAF CC(C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@]4(C)CCC(C)(C)C[C@@H]4C3=CC[C@]21C 2356625533 PKSBIHVTQFFWSW-IQYWHCDRSA-N 408.714 8.974 0 1 HKAF CC[C@@H](c1cccc(O)c1)[C@H]1C(=O)C[C@@](c2ccccc2)(C2CCCCC2)OC1=O 13760322 JXKOPEXDLNDGCC-LLZJGCNPSA-N 406.522 5.494 0 1 HKAF COc1ccc2c(=O)c3c(oc2c1)O[C@@](C)(CC/C=C(\C)C/C=C/C(C)(C)O)[C@@H]3C 14636287 CVQADAXRSHREJQ-YNIYJTLASA-N 412.526 5.500 0 1 HKAF Oc1ccc2c(c1)CCc1ccc(cc1)Oc1cc(ccc1O)CCc1ccc-2c(O)c1 14687268 JMKSVONWZFVEAI-UHFFFAOYSA-N 424.496 6.147 0 1 HKAF biogenic,in-vivo C[C@@H](O)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CC[C@H]1CC(=O)O 29054393 IOOHYRULMOUFEG-NEPJUHHUSA-N 419.905 5.600 0 1 HKAF Cc1c(Sc2ccc(Cl)cc2)c2c(-c3ccccc3)cccc2n1CC(=O)O 34167800 SKJAIFGOCYTZIP-UHFFFAOYSA-N 407.922 6.506 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 38216113 VQABOPQARYUTHF-PXICEXDUSA-N 416.646 5.827 0 1 HKAF Clc1ccc(CN[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1 38334035 AVOBUSCWJGQAJM-SVBPBHIXSA-N 416.996 5.725 0 1 HKAF Fc1ccc(-c2noc(C[C@H]3CCN(c4cnc5ccccc5c4)C3)n2)c(Cl)c1 40402905 AEKOYIYPZKHXPB-CQSZACIVSA-N 408.864 5.146 0 1 HKAF O=c1cc(-c2cccc(C(F)(F)F)c2)nc(Nc2ccc(Cl)c(Cl)c2)[nH]1 45211230 VWRLXLUUGUKSTQ-UHFFFAOYSA-N 400.187 5.506 0 1 HKAF CCCCCc1c(C)nc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)nc1C 45495659 XJKQNVCPQXLGAH-IBGZPJMESA-N 407.942 5.397 0 1 HKAF CSc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2)cc1 49114926 CQQSXLLCCNCGMN-QFIPXVFZSA-N 423.379 6.527 0 1 HKAF O=C(O)[C@@H]1C=C[C@@H]2C[C@H]3[C@H](CCCCCc4ccc5c(c4)OCO5)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 59085530 XCPLQXFRKHDBSP-HXWGSAKFSA-N 406.522 5.089 0 1 HKAF COc1cc2nc(N3CCc4ccccc4C3)nc(NCCC(C)(C)C)c2cc1OC 82129084 VNNPHIHVQHTXIY-UHFFFAOYSA-N 420.557 5.058 0 1 HKAF CCc1cnc(-c2cnc(NCc3ccc(C)cc3)nc2-c2cccc(C)c2)s1 82173839 OHDUPWSCTYIQMH-UHFFFAOYSA-N 400.551 6.058 0 1 HKAF CCOc1ccc(-n2c(C(=O)O)nc3cc(NCc4ccc(CC)cc4)ccc32)cc1 95596646 LFJLIAFKBPAFIB-UHFFFAOYSA-N 415.493 5.297 0 1 HKAF CC(C)c1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(Br)cc23)cc1 101092244 SHNQFYSMVLFXJN-FXAWDEMLSA-N 401.304 5.342 0 1 HKAF Cc1cccc(NC(=O)Nc2cccc(-c3c[nH]c4ncc(-c5ccccc5)cc34)c2)c1 103247881 OXFFBLXVJFWLLK-UHFFFAOYSA-N 418.500 6.849 0 1 HKAF CCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1ccc2ccccc2c1 103266127 XSUVBOJOOZDSIW-UHFFFAOYSA-N 420.984 5.868 0 1 HKAF COc1c2ccoc2c(Br)c2oc(-c3ccc(Cl)cc3)cc(=O)c12 169354115 UQXOXJCWFFEOAG-UHFFFAOYSA-N 405.631 5.631 0 1 HKAF CC(C)CC[C@H](O)[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4CCCC[C@]4(C)[C@H]3CC[C@@]21C 169684331 XIRMANMWPYJKKT-APGJSSKUSA-N 402.663 6.504 0 1 HKAF O=C(O)C1=CC[C@@H]2C[C@H]3[C@H](CC[C@H](O)/C=C/C=C\c4ccccc4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 238789669 ROFUKMLUAVIQAH-IPVDJDDLSA-N 402.534 5.112 0 1 HKAF C[C@H](CCCC(C)(C)C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 255261959 RABSKEHWTLLVFW-SIZYBXGNSA-N 414.718 8.169 0 1 HKAF CC(C)(C)Cc1c(CCc2ccccc2)sc(N)c1C(=O)c1ccc(Cl)cc1 299825874 LFBHMLTUPKPCID-UHFFFAOYSA-N 411.998 6.589 0 1 HKAF CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1cc(-c2cccc(C)c2)nc2ccc(OC)cc12 299854123 UPMSRTLOSOVJGB-YOAXHERRSA-N 416.565 5.373 0 1 HKAF O=C1c2ccccc2C(=O)N1c1ccccc1/C=C/c1ccc(Br)cc1 473135582 JRIROLXARZMUPK-FMIVXFBMSA-N 404.263 5.420 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@@H](C)SCc4ccccc4)[nH]c3c2)cc1 586963448 NYRLGZXVPFEJEG-MRXNPFEDSA-N 418.518 6.136 0 1 HKAF CCOc1cc(/C=C\c2nc3ccc(Cl)cc3[nH]2)cc(Br)c1OC 586978645 ZOXAPSWHWGIKBT-DAXSKMNVSA-N 407.695 5.557 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(C(F)(F)F)cc3F)nc3ccc(O)c1c23 586987337 VXUSYDQIEAXAAA-UHFFFAOYSA-N 409.338 5.977 0 1 HKAF Cc1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1C 587018254 WYPUXLKKIUGHGV-UHFFFAOYSA-N 404.358 5.718 0 1 HKAF COc1cccc(-c2ccc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c(Cl)c2)c1 587052639 ZGWYDQDAFSMNGF-UHFFFAOYSA-N 418.802 6.458 0 1 HKAF Oc1cccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 587064878 WQKWVUPTDPVGFL-UHFFFAOYSA-N 403.869 5.623 0 1 HKAF CC(=O)c1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587071076 LGLIQGVERRAPAI-GHXNOFRVSA-N 402.881 6.168 0 1 HKAF Cc1c(-c2nc3cc(Br)cc(F)c3[nH]2)cnn1-c1ccc(Cl)cc1 587076246 RYQXBHVGMYCLDO-UHFFFAOYSA-N 405.658 5.279 0 1 HKAF FC(F)(F)c1cc(Cl)c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2c1 587083409 SGFIYMOVNQUZSA-UHFFFAOYSA-N 416.617 6.757 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@H](N1CCSCC1)CCC4)-c1ccccc1C2=O 587101570 HWWNDPOYESEEIP-HXUWFJFHSA-N 400.547 5.181 0 1 HKAF Fc1cncc(Cl)c1Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587175384 CPQLEGFTWKFXFH-UHFFFAOYSA-N 408.580 5.123 0 1 HKAF Fc1ncc(Br)cc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587178006 LNHWLYOBIVNJBA-UHFFFAOYSA-N 400.276 5.678 0 1 HKAF COc1ccccc1Nc1ccccc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587240614 LZORTHYMWYNVHV-UHFFFAOYSA-N 423.541 7.133 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2c2ccccc2Cl)[C@H]1c1ccc(F)cc1 587333496 STNWLPIHENTSQL-OPHFCASCSA-N 422.883 6.250 0 1 HKAF Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1C(C)(C)C 587336576 ACVYPYYZFRNNNR-XUZZJYLKSA-N 408.473 5.066 0 1 HKAF C[C@]1(CCCCCCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348047 CACYXIGJSSGQLQ-JTHBVZDNSA-N 400.446 5.074 0 1 HKAF CC(C)(C)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587357462 UJDUKZRUQSAOPW-JYFHCDHNSA-N 404.481 6.103 0 1 HKAF COc1cccc(-c2cc(C3(c4ccccc4)CCCC3)nc3c2oc2ccccc23)c1 587365386 KFNVFEFFWYAHJP-UHFFFAOYSA-N 419.524 7.517 0 1 HKAF CSc1ccc2c(c1)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587374736 LEXJRHVXVZQGTC-LADGPHEKSA-N 406.478 5.454 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(Cl)cc3)nc3c(C)cccn13)O2 587379408 IHBPGFHORNRRDS-HXUWFJFHSA-N 417.896 5.560 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCc4cccc(C)c4)c1)[C@@H](C2)C3=O 587441571 FRKVVMQPMXNFPT-RXFWQSSRSA-N 416.473 5.080 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(C)c(OCc4cccc(C)c4)c(C)c1)[C@@H](C2)C3=O 587443268 NDTCFGMMYYUQCP-CUNXSJBXSA-N 414.501 5.688 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3ccn(Cc4ccccc4)c3c1)CC2=O 587477920 VXEHFZZACWDPME-AREMUKBSSA-N 411.501 6.054 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3cccc(C)c3)cc1)CC2=O 587482753 VFWMFZXTLATJCP-VWLOTQADSA-N 402.490 5.939 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1sccc1-c1cccc(C=O)c1)CC2=O 587496344 WGFPUASSRFPPNZ-XMMPIXPASA-N 406.503 5.766 0 1 HKAF O=C1C[C@@]2(CCc3c(F)cc(Br)cc32)Oc2c1ccc1c2CCCC1 587505363 IIKVYAXDPZSWQP-OAQYLSRUSA-N 401.275 5.274 0 1 HKAF CC1([C@@]2(CCc3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)CCCCC1 587524626 PIAKDTLSTUPJHT-MUUNZHRXSA-N 402.578 6.873 0 1 HKAF O=C1C[C@@H](c2csc3c(Br)cccc23)Oc2c1ccc1c2CCCC1 587536585 WWLIFGMTUVTYKW-IBGZPJMESA-N 413.336 6.249 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1c2[nH]c2ccc(Cl)cc12 587552104 NMUDKBMFAGDXAR-YKSBVNFPSA-N 417.848 5.330 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CC1CCCCC1)c1ncccn1 587589550 XXBJTAICKATDGW-SQJMNOBHSA-N 416.477 5.010 0 1 HKAF CCOc1cccc(OCC)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592963 BLXUCWUBXHUYMT-RDGATRHJSA-N 420.461 5.067 0 1 HKAF CC[C@@]1(c2ccc(OC(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596265 QFRNOHHDBFCVIE-DHLKQENFSA-N 404.462 5.447 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccc(Cl)cc1 587625792 MDSRCLMMVNQQJI-UHFFFAOYSA-N 405.725 6.398 0 1 HKAF CCOC(=O)c1c(C)[nH]c(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)OCC)c1C 587625840 NCKKRDCPWDOSHR-UHFFFAOYSA-N 402.878 5.095 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3Cl)o2)N1 587691893 ADUUZQDXAYSHKU-YBTHPKLGSA-N 420.709 6.125 0 1 HKAF COc1cc(C)c(Cl)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587692113 JVKRHGRUIRFPCM-NSPYISDASA-N 412.730 5.356 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3ccnc3)cc2Cl)N1 587699361 XASXCYJRYFKGEI-JEOXALJRSA-N 420.713 5.051 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC2CC2)(c2ccc(Cl)cc2)N1 587699390 KPBVBKXJRVCUPH-ODXCJYRJSA-N 408.742 5.820 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2Br)N1 587727740 PMBSGBUQEVCVDB-VPTHRUTESA-N 417.091 5.113 0 1 HKAF Cc1ccc(/C(=C/N(C)C)[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587756143 QBTAFAKXSKCGET-FZFCYWSBSA-N 403.339 5.075 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)c2ccccc2n3C)N1 587760420 YNOLKYBGCDWIPD-ZAMGYDSWSA-N 423.329 5.857 0 1 HKAF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(C)C 587796301 TTZSEWVZBMQXSU-FKIZINRSSA-N 408.311 5.008 0 1 HKAF CC(C)[C@@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804054 QUPGHKLFLVWMOH-ZSEKCTLFSA-N 401.323 5.503 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1/C=C\[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587813161 BPXZPNKZNPAUMB-YGVDAUQESA-N 406.383 6.276 0 1 HKAF CC(C)c1ccc2c(c1)[C@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587816841 DWLZDTUITORQBG-PEBXRYMYSA-N 402.351 5.826 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(ccc4ccccc43)o2)N1 587834064 PVPHWZQVULSVBA-JCQPUDPBSA-N 424.313 6.285 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C3CCCCC3)s2)N1 587846140 GTEFFWQXWHUYDW-FKIZINRSSA-N 408.380 6.321 0 1 HKAF CSc1ccc(-c2csc([C@@H](C)Cn3nc(C(F)(F)F)cc3C3CC3)n2)cc1 587924795 JTVZRRACDVJWRK-LBPRGKRZSA-N 423.529 6.428 0 1 HKAF COc1ccc(-c2ccc(-c3nc4ccc5nc(C)ccc5c4[nH]3)c(O)c2)cc1OC 587927622 TYDINQSRLOIEFJ-UHFFFAOYSA-N 411.461 5.476 0 1 HKAF COc1cccc(COc2cccc(Cl)c2[C@@H]2NCCc3cc(C)c(F)cc32)c1 962090157 GUFMBVJJUCSWHT-XMMPIXPASA-N 411.904 5.610 0 1 HKAF CCOC(=O)[C@@H](CC)[C@@]1(c2cccc(C(F)(F)F)c2)NCCc2ccc(F)c(C)c21 962304007 YVAFOXACLLBSGH-XMSQKQJNSA-N 423.450 5.132 0 1 HKAF Clc1cc(Cl)c2c(c1)C=C([C@H]1NCCc3cccc(-c4ccccc4)c31)CO2 962660648 DKEHYNLBEWDVTH-HSZRJFAPSA-N 408.328 6.323 0 1 HKAF CC(C)(C)[C@]1(c2ccc(CC(=O)O)s2)c2ccsc2CCN1Cc1ccco1 962706153 LFBFIJCAQSCIPW-JOCHJYFZSA-N 415.580 5.378 0 1 HKAF COc1cccc(-c2cccc([C@@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)c2)c1 962729272 HMFMVUYGMUKJCS-YADHBBJMSA-N 411.423 5.097 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@]2(C[C@@H](C)CC(=O)O)c1ccc(Cl)c(C)c1 963258133 NQFYYXYPXHBCDA-XMHCIUCPSA-N 422.352 5.201 0 1 HKAF COc1ccc(-c2ccc(Cl)cc2F)cc1[C@H](CC(=O)O)c1ncc(C)s1 1772652624 CEPKPJDMFRMEND-INIZCTEOSA-N 405.878 5.526 0 1 HKAF CCCc1nn(C)c2c(NCc3ccc(Cl)cc3)nc(/C=C/c3ccccc3)nc12 1857541826 MIMWYILISXURNU-NTCAYCPXSA-N 417.944 5.752 0 1 HKAF CCCc1nn(C)c2c(NCc3ccc(Cl)cc3)nc(/C=C/c3ccco3)nc12 1857587442 OAYDLJCVGXGHNU-VAWYXSNFSA-N 407.905 5.345 0 1 HKAF Clc1ccc(C2=C[C@@H](c3ccc(Cl)cc3)c3c(ccc4ccccc34)O2)cc1 1857602401 KNQUQIXUBSCZED-QFIPXVFZSA-N 403.308 7.712 0 1 HKAF COc1ccc(OC)c2c1C[C@H]1c3cc(Cc4ccc(F)cc4)sc3CCN1C2 1857652953 AKYSVIJWRUUIAO-NRFANRHFSA-N 409.526 5.151 0 1 HKAF CC1=C(C[C@@H](C)[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@@H]1C(C)C 2356580074 KRCHOIMKMJBPQW-PXXLEACGSA-N 412.702 7.635 0 1 HKAF c1ccc(-c2cccc(CNc3nc(-c4ccccn4)nnc3-c3ccccc3)c2)cc1 95569694 MWRDNBONCUGSBY-UHFFFAOYSA-N 415.500 5.880 0 3 HKAF O=C(Nc1ccc(Cl)cc1)N[C@H]1CCC[C@@H](NC(=O)Nc2ccc(Cl)cc2)C1 13493796 XBWNJGQLNCAOLX-HDICACEKSA-N 421.328 5.248 0 1 HKAF O=C(Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)N1CCCC1 13607364 GWDKUYCSDMPODZ-UHFFFAOYSA-N 408.716 5.126 0 1 HKAF COc1ccc2c(c1CC=C(C)C)O[C@H]1c3cc(CC=C(C)C)c(O)cc3OC[C@@]21O 14780994 OOAXWUFECWLVEQ-IZZNHLLZSA-N 422.521 5.132 0 1 HKAF biogenic,in-vivo CC1(C)C=Cc2cc(-c3coc4cc5oc(C(C)(C)O)cc5c(O)c4c3=O)ccc2O1 14825196 ZCPMFYOKWFXSAI-UHFFFAOYSA-N 418.445 5.323 0 1 HKAF biogenic COc1cccc2c1-c1ccc(NC(=O)c3ccccc3)cc1[C@H](c1ccccc1)O2 26172460 PXHYGRHGHRJFOI-SANMLTNESA-N 407.469 6.096 0 1 HKAF CC1=C(CC/C(C)=C/CCC2=CC[C@H]([C@H]3COC(=O)C3)O[C@@H]2O)C(C)(C)CCC1 34741171 AIPOJIGVVVFLQI-BNNJVGGTSA-N 402.575 5.617 0 1 HKAF Cc1cc(-n2cc(-c3ccccc3NCc3ccncc3)nn2)ccc1C(F)(F)F 40380492 GLODNFWHCDAVLU-UHFFFAOYSA-N 409.415 5.269 0 1 HKAF O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1=CCN(c2ncccc2Cl)CC1 40950729 LXKZZURDIKAFEP-UHFFFAOYSA-N 416.230 5.182 0 1 HKAF Cc1ccc(-c2ccc3nccc(Nc4ccc(N5CCN(C)CC5)cc4)c3c2)cc1 58651241 FYMURMGSNGUNKE-UHFFFAOYSA-N 408.549 5.706 0 1 HKAF O=C(Nc1ccccc1)N1CCC(N[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72101087 SOHHPWKMMBEFNR-QHCPKHFHSA-N 420.944 5.111 0 1 HKAF O=C(c1ccccc1)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)c1ccccc1 73140014 VECIERRNHRQJGV-HSZRJFAPSA-N 420.512 5.502 0 1 HKAF CC[C@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 80430997 CSVWWLUMXNHWSU-JOHSUIBYSA-N 414.718 7.881 0 1 HKAF Nc1scc(-c2cccc(C(F)(F)F)c2)c1C(=O)c1cccc(C(F)(F)F)c1 84703669 VFLOVSQMOPAGGW-UHFFFAOYSA-N 415.358 6.266 0 1 HKAF COc1ccc(/C=C/C(=O)Nc2cc3c(cc2C)C(C)(C)CCC3(C)C)cc1OC 84740938 VWKBWEPNJQVHEM-PKNBQFBNSA-N 407.554 6.013 0 1 HKAF CC1=C(/C=C/C[C@@H](C)CCC[C@@H](C)CCC[C@@H]2CCCC(C)(C)C2)C(C)(C)CCC1 85854174 CULXOYWCXZXOLD-FOBSZNRBSA-N 414.762 10.289 0 1 HKAF Clc1cc(Cl)cc(-n2c(COc3ccccc3)nnc2SC2CCCC2)c1 95595360 HTQSYPBKMLTTCH-UHFFFAOYSA-N 420.365 6.188 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 95636508 SGNBVLSWZMBQTH-VFHDLKEOSA-N 400.691 7.635 0 1 HKAF Cc1cc(-c2ccc(Cl)cc2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C 103204578 CMRYGDZCDGOBTB-UHFFFAOYSA-N 418.324 6.632 0 1 HKAF Cc1ccc(Nc2nc(C[C@H](C)NC3CC(C)(C)NC(C)(C)C3)ns2)cc1Cl 219194775 NTMZDLWXKAFGBS-AWEZNQCLSA-N 422.042 5.073 0 1 HKAF COc1c(O)cc2oc(-c3cc(O)cc(O)c3)cc2c1C/C=C(/C)CCC=C(C)C 221324279 WLJKBVCQTOXSPP-PXNMLYILSA-N 408.494 6.460 0 1 HKAF CC[C@H](C)CCCCCCCCCCCCCOC(=O)[C@H](C)C[C@H](C)C[C@H](C)CC 238762445 KERNEYOYPKEBPM-FICKONGGSA-N 424.754 9.355 0 1 HKAF CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccoc1)c1ccc(-c2ccccc2)cc1 299860044 GJYBIWZCPIYNIU-URPHZZJISA-N 402.538 5.457 0 1 HKAF CC1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)O[C@@H]3OC(=O)OC(C)(C)C)[C@H](C)CC[C@@]12C 299865741 UJVJNBBSPRJHGY-DFIKQTJASA-N 418.574 6.326 0 1 HKAF CCCN(CC[C@@H](C)[C@H]1CC=C(C)CC1)Cc1ccc2c(c1)[N+](=O)C(C)(C)N2O 377836301 DAHPGIRIOMZKIM-CTNGQTDRSA-N 400.587 6.027 0 1 HKAF CC(C)CCOc1cc2nc(C34CCC(CO)(CC3)CC4)[nH]c2cc1Br 586895460 IIIVVAPCHHZBSX-UHFFFAOYSA-N 421.379 5.335 0 1 HKAF CC(C)Oc1cc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2cc1Br 586899042 RPNOTJMBKLUPMK-UHFFFAOYSA-N 423.310 6.152 0 1 HKAF CC(C)(C)c1cccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c12 586921661 KGSPMQCMCNDXAR-UHFFFAOYSA-N 404.535 5.501 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(O)c(C(F)(F)F)c3)nc3ccc(O)c1c23 586985976 INGCURUEFWPNOD-UHFFFAOYSA-N 407.347 5.543 0 1 HKAF Cc1cccc2c3c([nH]c12)-c1nc2ccc(O)c4c2c(c1CC3)-c1ccccc1C4=O 586990452 XYMJTNOFTWBHFP-UHFFFAOYSA-N 402.453 5.707 0 1 HKAF Cc1c(-c2ccc(Cl)c(Cl)c2O)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586993914 RNNZRHLJDCLGKG-UHFFFAOYSA-N 420.295 6.742 0 1 HKAF Fc1c(Cl)cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c1F 587015876 WGIIUDHJOJZMNE-UHFFFAOYSA-N 416.667 6.592 0 1 HKAF CC(C)(C)c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 587026110 KEIIWNITCDIXEG-YYWHXJBOSA-N 421.610 5.997 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc4ccccc4cc3[nH]2)C[C@H]2CCCC[C@H]21 587028468 YHMFCCGPXJECAS-PTUXOGIPSA-N 415.562 5.853 0 1 HKAF COc1nccc2[nH]c(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCC4)nc12 587030349 DLLLGUFPVBIZPN-UHFFFAOYSA-N 424.913 5.089 0 1 HKAF Fc1cc(Br)c2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2c1 587076641 KYXFZPITHFKORN-UHFFFAOYSA-N 402.654 5.847 0 1 HKAF Fc1c(Cl)cc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc2c1F 587114416 SJUNIQKERGWGAO-UHFFFAOYSA-N 424.756 6.973 0 1 HKAF Nc1ccc(-c2ccc3nc(-c4ccccc4C(=O)c4ccc(F)cc4)[nH]c3c2)cc1N 587162012 AXCSQOMTURMPDJ-UHFFFAOYSA-N 422.463 5.431 0 1 HKAF O=C1c2ccccc2-c2cc(CCc3ccc(OC[C@H]4CO4)cc3)nc3cccc1c23 587209457 PUBLRMZULCWISA-FQEVSTJZSA-N 407.469 5.009 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCOc3c(Cl)cccc32)[C@@H]1c1ccc(F)cc1 587328313 JFCXXBWNOSIRCS-ZJSXRUAMSA-N 424.855 5.612 0 1 HKAF C[C@@]1(CCc2c(F)cccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330258 GKOXFVYHDQHJTK-VWNXMTODSA-N 412.407 5.560 0 1 HKAF C[C@]1(c2cccc(C3CC3)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331440 JNAYGTZVLOURRL-RCZVLFRGSA-N 406.428 5.822 0 1 HKAF CC[C@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353760 MAZULSNGQUZXFF-CZVUXVKSSA-N 420.524 6.255 0 1 HKAF COc1cccc(-c2cc(-c3ccc(OC(C)(C)C)cc3)nc3c2oc2ccccc23)c1 587361977 BZALHZPPSLFMPZ-UHFFFAOYSA-N 423.512 7.501 0 1 HKAF Cc1sc(N)c([C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587376257 PFOXYJPIMFZBTO-ZJSXRUAMSA-N 423.509 5.456 0 1 HKAF CCCC[C@]1(c2ccc(Br)c(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587413401 OCKOAWIUVXCJEW-VGOFRKELSA-N 415.327 5.599 0 1 HKAF COc1ccc(-c2[nH]c3ccccc3c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587437127 DGNPNZNZZKSKMO-BCHFMIIMSA-N 411.457 5.341 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1nc(-c4ccc(Cl)c(Cl)c4)cs1)[C@@H](C2)C3=O 587452022 QAHFKUVEUFSQFY-HXPMCKFVSA-N 418.301 5.614 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2nc(Cl)cc(Cl)c21 587462095 PFGMVZFQQIMNNC-QFIPXVFZSA-N 420.336 5.880 0 1 HKAF O=C1C[C@H](c2ccccc2OCc2cccc(Cl)c2)Oc2c1ccc1c2CCCC1 587499486 JTJSMBOOWIXQBR-RUZDIDTESA-N 418.920 6.504 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(SC(C)C)nc3sccn13)CC2=O 587501878 ZIXTXWKWFRQBFW-INIZCTEOSA-N 402.541 5.261 0 1 HKAF CC[C@]1(CC(=O)O)Cc2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587529158 JVMAHIRAFGQNHS-FTJBHMTQSA-N 404.506 5.243 0 1 HKAF CCCCCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587595570 KVZOWGLAUUXVDP-OZXSUGGESA-N 418.489 5.838 0 1 HKAF Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587681347 WVFBPIYMQZAIGC-DYZYQPBXSA-N 413.128 5.283 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(SC(F)(F)F)c2)N1 587715470 BXBNWSAPMNZMIS-XXFAHNHDSA-N 420.269 5.824 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(F)c2)N1 587724216 GBZFXIIGXNBBKO-BCTVWOGZSA-N 417.091 5.113 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(=O)OC(C)(C)C)c2)N1 587792703 MFIJJUXQCHRAQY-BLVKFPJESA-N 420.322 5.167 0 1 HKAF CC[C@]1(c2ccc(OCC(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587792803 LMIHHMRSXRHCTE-IVZQSRNASA-N 420.366 5.811 0 1 HKAF Cc1cccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587815365 LWDKKAROTDHRFQ-QMHKHESXSA-N 410.330 5.723 0 1 HKAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c2)c1 587933619 SWLBFNROOCJBOM-UHFFFAOYSA-N 416.424 6.223 0 1 HKAF CCCCc1ccc(-n2c(O)cc(Cc3ccccc3)c2O)c(Br)c1 587935277 DHINXBCQCPBVDE-UHFFFAOYSA-N 400.316 5.584 0 1 HKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587952994 YSPDXPOBMZXCPH-WJPUGNRLSA-N 405.567 6.886 0 1 HKAF CC[C@@H](c1cccc(OC)c1)[C@@]1(CC)c2ccsc2CCN1Cc1cccn1C 962377978 YFVLKCYEKPKGKL-DHLKQENFSA-N 408.611 5.953 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCc2ccccc2)(c2cccc(C)c2C)N1 962938882 AEBOOLJZWQNKRY-BTYSJIOQSA-N 408.589 6.585 0 1 HKAF COc1cc2c(c(OC)c1-c1c(C)cc(OC)c3c(OC)cccc13)[C@@H](C)N[C@@H](C)C2 1772609280 BLPXNSSTDKKRFC-JKSUJKDBSA-N 421.537 5.445 0 1 HKAF O=C(O)Cc1ccc(NCc2cc3c(-c4ccc5ccccc5c4)cccc3s2)cc1 1772642452 VIJZCSCRHVXZNY-UHFFFAOYSA-N 423.537 6.961 0 1 HKAF COc1cccc(CCC(=O)Nc2cncc(-c3cc(-c4cccnc4)cs3)c2)c1 1857774763 FIUXPLJVQHUVAI-UHFFFAOYSA-N 415.518 5.452 0 1 HKAF CC1(C)O[C@H](C=Cc2ccccc2)[C@]2(C)C(=O)O[C@H](CCc3ccccc3)C[C@H]2O1 2356654802 KUVJTOPFKQLXGB-FCBCXNLDSA-N 406.522 5.175 0 1 HKAF CC(C)[C@H](NC(=O)OC(C)(C)C)c1cc(C(=O)N[C@@H](C)c2ccccc2)c(N)s1 103113245 UVAXWNKRUKOPLJ-KSSFIOAISA-N 417.575 5.043 0 3 HKAF CCOc1cccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)NCCC(C)C)c1 774484 SBVCLRAEJGSNCT-UHFFFAOYSA-N 408.498 5.192 0 1 HKAF Cc1c(Cl)c(O)c2c(c1C=O)O[C@@](C)(/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)CC2 13835898 KWVYJSFOCKXTCX-JCIGYOAWSA-N 404.934 5.448 0 1 HKAF CCc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@@H]2[C@@H](CC)C(=O)O 28563181 KIPPYACIJFQVQP-IFMALSPDSA-N 419.521 5.666 0 1 HKAF CCOP(=O)(OCC)O[C@H](c1ccc(Cl)cc1)P(=O)(OCC)OCC 29222406 RWYDAIXXGPFTDF-HNNXBMFYSA-N 414.759 5.802 0 1 HKAF CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccc(O)cc2)c2ccccc2)cc1 29571754 NXNAMKPCKKKOHX-OCEACIFDSA-N 421.968 6.268 0 1 HKAF Clc1ccc(C[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 33493882 DBWFHJYOQLFDPC-ZDUSSCGKSA-N 400.136 6.523 0 1 HKAF COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2ccccc2[nH]1)C(F)(F)F 34270767 HINCRROTVFUICG-OAQYLSRUSA-N 409.423 5.519 0 1 HKAF Cc1ccc([C@@H]2c3[nH]c4c(C)cccc4c3CCN2C(=O)CCc2ccccc2)cc1 34661220 URCBLMVYIHKNIB-MUUNZHRXSA-N 408.545 5.892 0 1 HKAF CC(=O)N1N=C(c2ccc(-n3cccc3)cc2)O[C@H]1c1c(Cl)cccc1Cl 40392876 QYUYLVSUIRYOKS-FQEVSTJZSA-N 400.265 5.023 0 1 HKAF NC(=S)Nc1cccc(OCCCCCOc2cccc(-c3ccccc3)c2)c1 40952925 QULPINFRKFMWEK-UHFFFAOYSA-N 406.551 5.637 0 1 HKAF O=C(Nc1cccc(C(F)(F)F)c1)NC1CCN(c2ccnc3ccccc23)CC1 45190253 XKLJIURIXVXYJU-UHFFFAOYSA-N 414.431 5.044 0 1 HKAF CCOc1ccccc1CNc1nccc(NCc2ccc(Cl)cc2Cl)n1 45202898 QXYPXKRJRYCLSR-UHFFFAOYSA-N 403.313 5.406 0 1 HKAF CC1=C(CC/C(C)=C/CC/C(=C\C=C\C2=CC(=O)O[C@@H]2O)CO)C(C)(C)CCC1 45496621 IXZLFRIHNOJYGA-LADOGJGZSA-N 400.559 5.296 0 1 HKAF in-vitro O=C(O)[C@@H]1CCCN(CC/C=C(/c2ccccc2)c2ccccc2-c2ccccc2)C1 66251741 JFNVGFNLJVOLOO-TURSSDGYSA-N 411.545 5.972 0 1 HKAF O=C(NC1CCCCC1)[C@@H](C1CCCCC1)n1c(-c2ccncc2)nc2ccccc21 66252576 JWYJJTYZBIQOGC-XMMPIXPASA-N 416.569 5.669 0 1 HKAF CC1=CC[C@@H](C)O[C@]2(C1)C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 72121487 DIMLQSPLVRAKGM-ZHRRBRCNSA-N 412.327 5.336 0 1 HKAF CN(C)c1ccc([C@H](O)c2nnc(Nc3cccc(Oc4ccccc4)c3)s2)cc1 82078267 CGEFLJUNOAMSEP-NRFANRHFSA-N 418.522 5.222 0 1 HKAF O=c1[nH]c2ccc(Oc3cccc(NCc4cccc(OC(F)(F)F)c4)c3)cc2[nH]1 84655209 CSDFWNHOHKGIOH-UHFFFAOYSA-N 415.371 5.159 0 1 HKAF Cn1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)c(Oc2cccc(C(F)(F)F)c2)n1 103289444 KIICPHOQXOZFMV-UHFFFAOYSA-N 417.431 5.781 0 1 HKAF CC(C)Oc1ccccc1[C@H]1Nc2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C21 103935486 HPXXFDKPOXTJKY-WTYVLRPYSA-N 424.544 7.103 0 1 HKAF Cc1cc(F)ccc1Oc1nc2ccccc2cc1C(=O)Nc1ccc(C(=O)O)cc1 143171324 FZZLYYKBRRIYDC-UHFFFAOYSA-N 416.408 5.425 0 1 HKAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2csc(C)n2)c1 167356400 LRUWAFBAMKJJRR-MGPUTAFESA-N 422.550 5.245 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(C)s2)cc1)C3 195240260 WNGKSXJKUCQJJD-WQXASRRGSA-N 407.579 5.400 0 1 HKAF c1ccc(CCN2[C@H]3CC[C@@H]2C[C@H](c2c(-c4ccccc4)[nH]c4ccccc24)C3)cc1 253677991 QOUVFTQPYVSKEQ-QEIWAGNOSA-N 406.573 6.788 0 1 HKAF CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@H]5CCC(=O)C(C)(C)C5=CC[C@H]4[C@@]3(C)CC[C@]12C 255197732 BCQNFYWIPQQTGS-DQJNIIDQSA-N 424.713 8.233 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 261188028 YDQIBRUWWSGZRH-ISBFUBLLSA-N 414.718 8.025 0 1 HKAF CCCCCOc1cc2nc([C@@H]3COc4ccccc4O3)[nH]c2cc1Br 586918937 UNWCJNLZRWUJMI-IBGZPJMESA-N 417.303 5.407 0 1 HKAF Cc1ccc2c3c(cc(CC(=O)Nc4ccc(N(C)C)cc4)nc13)-c1ccccc1C2=O 586996738 PHIRNJZJBWQBBF-UHFFFAOYSA-N 421.500 5.002 0 1 HKAF Clc1ncnc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc12 586997811 DWQSRUYZPHOLHL-SOFGYWHQSA-N 401.651 5.199 0 1 HKAF Cc1nc(-c2ccccc2)sc1Cc1nc2c(Br)cnc(Cl)c2[nH]1 587012498 RWJUEELLXYHPFL-UHFFFAOYSA-N 419.735 5.397 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(C[C@H]3OCCc4ccsc43)nc2c1 587036717 KMBCXLLXFJTYOA-GFCCVEGCSA-N 406.351 5.519 0 1 HKAF Fc1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2c1Br 587083840 OGTBYZUJYXKYHH-UHFFFAOYSA-N 402.654 5.847 0 1 HKAF Fc1cc(Br)c2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2c1 587084596 CZXJFTBQNXCQGA-UHFFFAOYSA-N 403.642 5.242 0 1 HKAF Fc1ccc(/C=C(\c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c2cccs2)cc1 587162521 CNZVMHPOLBXNNX-JYRVWZFOSA-N 400.381 5.674 0 1 HKAF CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cn1 587245490 ULBFCZHWJYWVJZ-UHFFFAOYSA-N 402.523 5.761 0 1 HKAF C[C@]1(CCc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327166 FHYRTMCIAGBKAW-LADGPHEKSA-N 410.872 5.935 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350046 JUIRCGCDJUPSIT-ILBGXUMGSA-N 404.437 5.131 0 1 HKAF CCCCOc1c(Cl)cc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OC 587461170 QCZWAJHSMAYKFU-FQEVSTJZSA-N 418.917 5.892 0 1 HKAF CC(C)(C)C(=O)Nc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc1Cl 587496949 CVRJGGFXSCZUQX-IBGZPJMESA-N 412.917 5.305 0 1 HKAF CCCC[C@]1(c2ccc(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587505009 KPOUVQYLSJNTSP-HSZRJFAPSA-N 403.349 6.923 0 1 HKAF CCn1c2ccccc2c2cc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587514024 DSPGWBFVAHBPTF-NDEPHWFRSA-N 409.529 6.574 0 1 HKAF CCCOc1ccc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520513 DLOATLJDYULODU-RUZDIDTESA-N 408.494 5.080 0 1 HKAF CC[C@]1(c2ccccc2OC(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555839 MLMDFMLADAWBQE-AUSIDOKSSA-N 412.388 5.261 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(Cl)c(Cl)c3)c2c1 587639717 BZPHPKKGMNECRG-SNVBAGLBSA-N 414.254 7.238 0 1 HKAF Cc1cc(Cl)cc2c1OCCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587699534 QNLTVONRMUNWTD-YUNKPMOVSA-N 424.741 5.500 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](c3ccccc3)c3ccccc32)N1 587819828 WTMYSZUMVZGBCL-YIEPVFBUSA-N 422.341 5.902 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3cccs3)c2)N1 587849960 CFURDCXZTCXOSZ-ODXCJYRJSA-N 402.332 5.940 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(CN3CCCCC3)cs2)N1 587850268 YETYMXHFFHAZQP-XCLFUZPHSA-N 423.395 5.259 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCSc3ccc(Cl)cc32)N1 587855487 GKPZDIMPHRCZOB-MGNBDDOMSA-N 412.755 5.515 0 1 HKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 587952731 WGBMXHMNVODWSJ-NVVBAYIOSA-N 422.525 6.188 0 1 HKAF O=C(O)CCCCCCCCCCCCc1nc2ccc(Oc3ccccc3)cc2[nH]1 587957348 KJIWSZXXTQSGFR-UHFFFAOYSA-N 422.569 7.273 0 1 HKAF Cc1cc(OCc2cnc(S[C@H]3C=CCCC3)n2-c2cccnc2)ccc1Cl 621478252 KNHIANWGJPVKQZ-FQEVSTJZSA-N 411.958 6.009 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(c1ccccc1)C(C)(C)C 961776291 LPTBUANSTLEMAP-MHZLTWQESA-N 420.597 6.128 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3CN3CCCC3)NCCc3cc(C)c(F)cc32)cc1 962375545 NXHOSQSMBQDZAD-NDEPHWFRSA-N 414.568 5.476 0 1 HKAF COc1ccc2c(c1OC)[C@](CC(=O)c1ccc(C)cc1)(C(C)(C)C)N(C)[C@@H](C)C2 962574344 ULPLOEPOEMQKAS-HFJWLAOPSA-N 409.570 5.403 0 1 HKAF Clc1ccc([C@@]2(Cc3ccncc3)c3ccsc3CCN2Cc2ccco2)cc1 962699963 BGAZZRUSEVMASV-DEOSSOPVSA-N 420.965 5.934 0 1 HKAF COc1cccc(-c2cccc([C@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)c2)c1 962729266 HMFMVUYGMUKJCS-FGZHOGPDSA-N 411.423 5.097 0 1 HKAF COc1ccc([C@]2(CCc3cccc(Cl)c3)NCCc3c(C(=O)O)cccc32)cc1 963120951 IECLJVQXOQJRBD-VWLOTQADSA-N 421.924 5.069 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@H]1c1ccc(OC)c(Cn2nc(C)cc2C)c1 963224281 DQKJQUOEQOCERH-NIYFSFCBSA-N 403.570 5.303 0 1 HKAF c1ccc2nc(Cn3c[n+](Cc4ccc5ccccc5n4)c4ccccc43)ccc2c1 1772603704 KKXUBTVCAAWSFC-UHFFFAOYSA-N 401.493 5.122 0 1 HKAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3c(ccc(OC4CCC4)c3Cl)C2)cc1 1772628553 BPZNTKRMUZENSJ-INIZCTEOSA-N 412.961 5.027 0 1 HKAF CO[C@@H]1CC[C@]2(C)C(=CC=C3[C@@H]2CC[C@]2(C)[C@@H]3CC[C@@H]2[C@@H](C)C=C[C@@H](C)C(C)C)C1 2356313028 RAUIRVMOPWSUHY-BVQDROPESA-N 410.686 7.985 0 1 HKAF CC=C(CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356382497 CQSRUKJFZKVYCY-HQIMOVAUSA-N 414.718 8.025 0 1 HKAF COc1cc(O)c(C(=O)[C@@H]2[C@@H](CC=C(C)C)C(C)=CC[C@H]2c2ccccc2)c(OC)c1 2356495050 BYWWTSFMTOYXHJ-WRALFONMSA-N 420.549 6.315 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12 2356655613 IGGXIQKUMBVBRV-UHFFFAOYSA-N 422.477 5.518 0 1 HKAF CC(=CCn1c[n+](C)c2ncnc(N)c21)CC[C@@]1(C)[C@@H]2CCC=C(C)[C@]2(C)CC[C@H]1C 2356871631 YCSGSEAQYPDNAQ-DYCBMTEISA-N 422.641 5.363 0 1 HKAF COc1ccccc1Cc1c(-c2ccccc2)nc2c(C)cc(Br)cn12 72135643 RXXXIUGWKRKEHJ-UHFFFAOYSA-N 407.311 5.672 0 3 HKAF COCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(-c2ccccc2)cc1 2480228 IJSFRQNOPLTYNT-UHFFFAOYSA-N 416.452 5.191 0 1 HKAF CCO[C@@H](Cc1ccc(OC/C=C(\C)c2ccc(-c3ccccc3)cc2)cc1)C(=O)O 3819472 IARLQHYKUDROPT-GDNFTRMYSA-N 416.517 5.868 0 1 HKAF COc1ccc([C@H](Cc2ccncc2)c2ccc(Cl)cc2)cc1OC1CCCC1 13442003 PUMZWWFKADZJCP-HSZRJFAPSA-N 407.941 6.440 0 1 HKAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)[C@H](O)c1ccccc1 13584036 VGYIYQNMKYAWPO-IYQVQDSCSA-N 406.566 5.997 0 1 HKAF O=C1c2ccc(-c3ccccc3)cc2CC[C@@H]1CCN1CCC(c2ccccc2)CC1 13588382 UQMOLDLXMWSOEC-RUZDIDTESA-N 409.573 6.368 0 1 HKAF COc1cccc(CCCc2ccccc2/C=C/C(=O)O)c1OCc1ccccc1 28332147 VERBESGORYHQNN-ISLYRVAYSA-N 402.490 5.547 0 1 HKAF COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCN1CCCC1 36351627 TVBZXJOQEZLHDL-UHFFFAOYSA-N 416.521 5.089 0 1 HKAF C[C@H]1CCC([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)=NC1 39063796 BLVNKXGGFFUMSS-CGYGGFEXSA-N 413.646 5.404 0 1 HKAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@@]43C)[C@@H]1CCC2=O 40487370 FXJBFSBELBAUFO-RHDRQZDNSA-N 413.565 5.409 0 1 HKAF CC(C)N(C(=O)[C@@H]1C[C@H]2CC[C@H]3[C@H](CC[C@@]4(C)[C@H]3CCC(=O)N4C)[C@@]2(C)C1)C(C)C 40520488 VMAUAPIAAHKASV-DXTNZMIKSA-N 416.650 5.111 0 1 HKAF CCN1CN(CC)[C@H](c2c(Cl)cccc2Cl)[C@@H]1c1c(Cl)cccc1Cl 40608891 UZKYVLKKPPJPBE-KDURUIRLSA-N 418.195 6.698 0 1 HKAF Cc1cc2c(Nc3ccc(-c4nc5ccccc5s4)cc3)ncnc2cc1Cl 40898973 WNODPKRHMJHRHJ-UHFFFAOYSA-N 402.910 6.612 0 1 HKAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1ncc(-c2ccccc2)o1 58608824 BKDYXCKSNUIXDC-LEWJYISDSA-N 423.303 6.324 0 1 HKAF O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc(Oc3ccccn3)cc21 64539778 XCZLJWVDKKDPIZ-UHFFFAOYSA-N 406.441 5.270 0 1 HKAF O=C(O)c1sccc1SCc1ccc(Br)c(Br)c1 73316691 SKISQMPDIKJOPD-UHFFFAOYSA-N 408.136 5.264 0 1 HKAF O=C(O)CC/C=C1\CC[C@H](c2ccc(O)cc2)[C@@H](CCCCCC[C@@H]2C=CCC2)C1 85489245 ZQMKWTFIKQVFIO-FXRIXAOUSA-N 410.598 7.374 0 1 HKAF biogenic,in-vitro CN1CCN(c2ccc(Nc3c4c(nc5cc(Cl)ccc35)CCCC4)cc2)CC1 95574178 FJFQHBKYNHQFRK-UHFFFAOYSA-N 406.961 5.262 0 1 HKAF CC1(C)CCc2c(c3ccccc3c3nc(-c4ccc(Br)cc4)[nH]c23)O1 95580091 KGWNPIKIBSXGNF-UHFFFAOYSA-N 407.311 6.249 0 1 HKAF O=c1c2ccccc2sn1[C@H](Cc1ccccc1)c1nnc(-c2ccc(F)cc2)o1 95597211 RSESJHPXJFYQCZ-LJQANCHMSA-N 417.465 5.084 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC(=O)[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@]13C 100779565 MQILTVJSXIHHGW-RBXQBWMISA-N 424.713 8.521 0 1 HKAF endogenous,in-man CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)NCCN 103226214 IGGRAZXAQBCCII-JAGDBARYSA-N 400.632 5.886 0 1 HKAF CC[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)C[C@H](C)C(=O)O)[C@@]2(C)CC[C@@H](O)C[C@@H]12 141771855 ONUBRRGBGULBMO-NCIUOPSMSA-N 418.662 6.389 0 1 HKAF CCOc1cccc(F)c1[C@H]1C[C@H](C)C(=O)N1Cc1cccc(OC(F)(F)F)c1 167725991 WCQJZAHESCTNJC-SUMWQHHRSA-N 411.395 5.233 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCCC(=O)N1Cc1cccc(-c2ccccn2)c1 167866793 MUBSGJOPYBKNEH-JOCHJYFZSA-N 416.521 5.410 0 1 HKAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC=C(C5(C)OCCO5)[C@@]4(C)CC[C@H]32)C1 254079147 RKDVZUVKDIUZHM-WUAZERAISA-N 402.575 5.260 0 1 HKAF CCCCOc1ccc(/C=C\c2ccc(-c3c(C)nc(C)c(Cl)c3O)s2)cc1 299866482 VWPHRPNLRAQASD-FLIBITNWSA-N 413.970 7.135 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nc12 586985130 ZPVGIXWIIOAYRJ-UHFFFAOYSA-N 406.283 5.553 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cnn(-c4cccc(Cl)c4)c3)nc3ccc(O)c1c23 586986799 VTPKGWUUVCDZMI-UHFFFAOYSA-N 423.859 5.658 0 1 HKAF Cc1c(Cc2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)cccc1C(F)(F)F 586987110 SURNPSIBKCMXIJ-UHFFFAOYSA-N 419.402 6.070 0 1 HKAF CC(C)(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1c[nH]c2ccccc12 586990177 VZCKXAHWZOLJEE-UHFFFAOYSA-N 418.496 6.153 0 1 HKAF CC(C)Oc1ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2c1 587019119 GWBOUBQYGDVDRV-UHFFFAOYSA-N 407.499 5.041 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5c(Cl)ncnc5[nH]4)c23)cc1 587037596 HJUJIDLLNNZYAA-UHFFFAOYSA-N 424.942 5.279 0 1 HKAF O=c1ccc(-c2nc3cc4ccccc4cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587053213 BIPCNBLNXPPVFI-UHFFFAOYSA-N 420.299 5.900 0 1 HKAF Cc1ccc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1 587055335 OUVSLIRVUBMDDC-CQSZACIVSA-N 413.304 7.110 0 1 HKAF CCCCOc1cc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2cc1Br 587090038 KVSDFDXYYZXOPG-GFCCVEGCSA-N 403.601 5.428 0 1 HKAF COc1cc(C)c(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1OC 587098340 QKOXUVYDWXZUEI-UHFFFAOYSA-N 409.485 5.671 0 1 HKAF Cc1ccc(C(=O)Cc2nc3c(C)ccc4c3c(c2CCO)-c2ccccc2C4=O)cc1 587101921 RMAREHNMZZHHDH-UHFFFAOYSA-N 421.496 5.023 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H](CC)Oc3ccccc3F)nc2c1 587154583 FAVJJMQSTICHNM-OAHLLOKOSA-N 421.266 5.171 0 1 HKAF CCCCCc1c(CCCCCCCCCCC(=O)OC)nc2cccc3c2c1CC3 587214569 SHUGXPDGPRDQHC-UHFFFAOYSA-N 423.641 7.293 0 1 HKAF COC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327939 ILUIZBVJSPLUPL-JTHBVZDNSA-N 412.844 5.086 0 1 HKAF Cc1ccc([C@]2(C3CCCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587358402 XUZQKBYCXITPBS-VPUSJEBWSA-N 416.492 6.284 0 1 HKAF COc1cccc(-c2cc(-c3cc(F)ccc3Cl)nc3c2oc2ccccc23)c1 587359050 CLCNPDVCRQFJPW-UHFFFAOYSA-N 403.840 7.116 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4cccc(C)c4)cc1)[C@@H](C2)C3=O 587445373 YGYVMEMPJMUVSN-NVQXNPDNSA-N 400.474 5.245 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1sc(Nc4ccc(C)cc4)nc1Cl)[C@@H](C2)C3=O 587453730 YTVULQUREKKVBW-KBXCAEBGSA-N 412.898 5.346 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCCCCCCCCCC[C@H](C)C1)CC2=O 587481404 LRGCFGOKZQUGEY-KDYSTLNUSA-N 414.630 7.770 0 1 HKAF O=C1C[C@@H](c2ccc(OCc3ccc(F)c(F)c3)cc2)Oc2c1ccc1c2CCCC1 587505345 MHLCEYRGWKGWOH-VWLOTQADSA-N 420.455 6.129 0 1 HKAF COc1cc(Br)cc(OC)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587506967 ZNSWSASKRSAWNG-LJQANCHMSA-N 417.299 5.052 0 1 HKAF COc1ccc([C@]2(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587507747 NYUCGPRKFYYENH-AREMUKBSSA-N 402.465 5.622 0 1 HKAF Cc1ccc(-c2nc3c(C)cccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587516435 XHABCPROHUDELK-DEOSSOPVSA-N 422.528 6.203 0 1 HKAF O=C(O)CCC[C@@]1(c2ccc(Cl)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587533916 ZACNFGUKUIPESQ-NRFANRHFSA-N 404.915 5.396 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccc(F)cc2)n1 587568104 CSNHPYVPVRKXNL-UGKGYDQZSA-N 419.433 5.358 0 1 HKAF C[C@@]1(c2cccc(-c3cccc(N)c3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575106 APAYYXQUAMWOHQ-SQHAQQRYSA-N 423.468 5.518 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1N1CCCCC1 587596506 RLROZCOCEXYRBN-WIOPSUGQSA-N 401.462 5.085 0 1 HKAF Cc1cc(C)cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 587603416 OJXANZOCLHPOQS-LBNVMWSVSA-N 422.480 6.379 0 1 HKAF Cc1sc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br 587612374 JTQXPSHGNOODMS-LPHOPBHVSA-N 417.280 5.228 0 1 HKAF CC(C)(C)c1[nH]c2cc(Cl)c(F)cc2c1Cc1ccc(Br)cc1F 587629051 DQHKXIBSXUXDGK-UHFFFAOYSA-N 412.705 6.750 0 1 HKAF COc1c(Cl)cc(Cl)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587691130 CFVAEFHBSLKNCQ-PWJLMRLQSA-N 419.121 5.527 0 1 HKAF CCCCOc1cc2nc(COC/C=C\c3ccccc3)[nH]c2cc1Br 587781138 QKPHBUQSGLKYNF-YFHOEESVSA-N 415.331 5.734 0 1 HKAF CCCCOc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587789461 CCEKIDHNWMNWEB-SZNDQCEHSA-N 406.339 5.565 0 1 HKAF CCOc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCC 587802631 STKMBUACFLUACD-BLVKFPJESA-N 408.311 5.009 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(-c4ccccc4)cc32)N1 587817333 KFRKXKRQFYJVMJ-OWJWWREXSA-N 422.341 5.979 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc3ccccc3o2)(C2CC2)N1 587833127 MAEHLFHNWMYWME-XUSGNXJCSA-N 400.291 5.522 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccccc3)cs2)N1 587845668 FHJGMEXXKRWRNN-YUNKPMOVSA-N 402.332 5.940 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sccc2Br)N1 587846675 VLDOJVOLCCESTK-CPFSXVBKSA-N 405.130 5.036 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sccc2Br)N1 587846955 VLDOJVOLCCESTK-WPPNPWJKSA-N 405.130 5.036 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2nc3ccccc3s2)N1 587854829 DMYPEEIVMNJVPL-WYRIXSBYSA-N 405.336 5.190 0 1 HKAF COc1cc(O)cc(-c2cccc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c2)c1 587932083 LDGYLGFDZZBSFB-UHFFFAOYSA-N 400.356 5.510 0 1 HKAF Cc1cc(OCCn2c(OC(C)(C)C)cc(C(C)C)c2O)c(C(C)C)cc1Cl 587943037 JPFGRUDXKASKGD-UHFFFAOYSA-N 407.982 6.659 0 1 HKAF Cc1cccnc1-c1ccc2c(c1)CC[C@@H](C)N2C(=O)c1cc(Cl)c(O)cc1O 653672735 ADYFSAHHBUQVGK-CQSZACIVSA-N 408.885 5.103 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2[C@H]2NCCc3cccc(-c4ccccc4)c32)cc1 962672933 VGJMYIAEPOPEDC-LJAQVGFWSA-N 418.515 6.876 0 1 HKAF CCCCC[C@]1(CCCCC(=O)O)c2cccc(F)c2CCN1[C@H]1CCSC1 962720234 ZZANPCKRRYJMDV-MBSDFSHPSA-N 407.595 5.610 0 1 HKAF CCOc1ccccc1[C@@]1(CCCCC(=O)O)N[C@@H](CC)Cc2c1[nH]c1ccccc21 962950462 NGFHXMZMZJXPBB-HFJWLAOPSA-N 420.553 5.380 0 1 HKAF COc1ccccc1[C@@]1(CCc2cccc(F)c2)c2c(F)cccc2C[C@@H]2CCCN21 963115211 VCSPGJWHOWTSGJ-CUNXSJBXSA-N 419.515 5.870 0 1 HKAF O=C(O)[C@H]1CC12CCC1(CCN(c3cc(OC(F)(F)F)ccc3Cl)CC1)CC2 1772617826 URKADBGRJJNSAM-CQSZACIVSA-N 417.855 5.490 0 1 HKAF Cc1ccc2c(c1)N(c1ccc(NCCN)cc1)C(=O)C(C)(C)N=C2C1CCCCC1 1857558420 AOGJOSRGGFOGED-UHFFFAOYSA-N 418.585 5.192 0 1 HKAF Cc1ccc(-c2ccc([C@H](C)Nc3cncc(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)cc1 1857760290 UPJLDCPYBDNHTH-PGRDOPGGSA-N 416.525 5.606 0 1 HKAF CC=C(CC[C@H](C)[C@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1)C(C)C 2356615452 GZZSNPZMOGPILP-HUMRMCGFSA-N 412.702 7.945 0 1 HKAF CC(=CCC[C@@H](C)C[C@H]1OC(=O)C(C)=C1O)CCC=C(C)CCCc1ccoc1 2356623696 KMWTVCMTGSLJFU-NFBKMPQASA-N 400.559 6.839 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC=C[C@@H]2CC=C3C[C@H](O)CC[C@]3(C)[C@H]2CC[C@@H]1C)C(C)C 2356628212 KWSDAMSVPQVEBE-WCOSSYEUSA-N 414.718 8.191 0 1 HKAF CC(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@@]5(C)CCCC(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 2356641369 NKMDIWKRKQFYPH-KCLACZJKSA-N 412.746 9.134 0 1 HKAF O=C(NCCc1ccccc1F)c1c(-c2ccccc2F)noc1-c1ccccc1 775291 WXBTZFCUKGJMGL-UHFFFAOYSA-N 404.416 5.259 0 1 HKAF C[C@@H](CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2Cl)n1)C(=O)O 13729811 CORCCIXPSKDMOL-KRWDZBQOSA-N 409.913 6.339 0 1 HKAF CN(C)c1ccccc1CCN1CCc2cc(Cl)c(O)cc2[C@H](c2ccccc2)C1 13799776 IFXQPNLRICTKMO-QHCPKHFHSA-N 420.984 5.344 0 1 HKAF Cc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)N32)c1 16042937 LGUNDKIDZSDIJC-ILBGXUMGSA-N 421.500 5.268 0 1 HKAF biogenic CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCN(C(=O)CN)C=C21 26258948 FUOPUFUPGVAHIK-UWVAXJGDSA-N 414.590 5.031 0 1 HKAF CC1(C)CCC(C)(C)c2cc([C@@H](O)c3ccc4cc(C(=O)O)ccc4c3)c(F)cc21 26731402 QRUAEQXUOGHZIH-QHCPKHFHSA-N 406.497 6.108 0 1 HKAF C[C@H]1CN2CCN(Cc3cccc4ccccc34)C[C@H]2C[C@@]1(C)c1cccc(O)c1 28604424 MZXHOFLABHQELC-NFCJYOSASA-N 400.566 5.029 0 1 HKAF Clc1ccc(SCCCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 28886663 HBSDAHYJUIQMEF-UHFFFAOYSA-N 415.817 5.951 0 1 HKAF O=C(Nc1cccc2cnccc12)N[C@@H]1CCc2cc(F)ccc2[C@H]1Cc1ccoc1 28959306 MVMZTCPJMDJVMN-ISKFKSNPSA-N 415.468 5.430 0 1 HKAF Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2ccc(Cl)c3Cl)cn1 29552557 QKGIXZMTGPHARM-UHFFFAOYSA-N 415.280 5.479 0 1 HKAF CCOC(=O)C(C(=O)OCC)=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C 34215585 QFWGRBGMZHYSBY-BECCOVKISA-N 400.559 6.014 0 1 HKAF Cc1c(Cn2ccnc2)c2cc(Br)ccc2n1Cc1ccc(Cl)cc1 40835584 ROXMTDXHSUXOAO-UHFFFAOYSA-N 414.734 5.659 0 1 HKAF CCSC(=S)SCC(=O)c1ccc(C(=O)NCc2cc(C)cc(C)c2)s1 40936241 FZFMTPNMEZTLNG-UHFFFAOYSA-N 423.650 5.249 0 1 HKAF Cc1cc(NC(=O)Nc2cccc(Cl)c2Cl)ccc1-c1nc2[nH]ncc2[nH]1 49110216 DMAZAPPCZXRAMV-UHFFFAOYSA-N 401.257 5.212 0 1 HKAF CCC(C)(C)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2)c1C 66259768 GMORXCFKPPSPDS-UHFFFAOYSA-N 405.329 5.197 0 1 HKAF CCN(CC)c1ccc(-c2ccc3cc(-c4nc5ccccc5n4C)c(=O)oc3c2)cc1 71316965 JIOWWMHJNXGZDW-UHFFFAOYSA-N 423.516 5.860 0 1 HKAF Cc1cccc(-c2nc(NC3CCCCC3)ncc2C(=O)N[C@H]2CCCC[C@H]2C)c1 82145101 RUYYNHBFIUPQFO-GCJKJVERSA-N 406.574 5.505 0 1 HKAF Cc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(F)cc2)o1 82164273 ADDVVGADPFVQPI-ZXUOCUECSA-N 406.505 5.729 0 1 HKAF Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(F)cc2)oc1C 82164276 SWXXMMLRXFSWGW-SNLNFDIBSA-N 420.532 6.037 0 1 HKAF COc1ccc(CN2CCN3C[C@H]2CC[C@@H]3C(c2ccccc2)c2ccccc2)cc1 84738793 REYDHEVFSZYDKB-XNMGPUDCSA-N 412.577 5.176 0 1 HKAF Fc1ccc(CSc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)cc1 96939342 YAXUQGCLHNXKBD-UHFFFAOYSA-N 422.633 7.699 0 1 HKAF O=C(O)CCC/C=C/C[C@H]1[C@H](COCc2ccccc2)[C@@H]2C[C@]1(c1ccccc1)CO2 100756880 ZREITZXFTXLALN-LTMYTWAZSA-N 420.549 5.377 0 1 HKAF CC(=O)Nc1cc(-c2cccc3ccccc23)c2nc(/C=C/P(=O)(O)O)ccc2c1 118079470 YXNCZDLAUQFYPO-VAWYXSNFSA-N 418.389 5.162 0 1 HKAF in-vitro CCC(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)=C(C)C 135627881 CJSJAHSQZQIOPX-SPTWOZHASA-N 414.718 8.169 0 1 HKAF CN1CCCC[C@@H]1[C@@H](NC(=O)c1cccc(C(F)(F)F)c1Cl)c1ccccc1 145031569 XPXKFXNVIAOBEI-MJGOQNOKSA-N 410.867 5.314 0 1 HKAF Cc1cc(O)c(-c2ccc(C3(CN(C)C)CCC3)cc2)c2c1[nH]c(=O)c1sccc12 166020773 ZBQYCBMJUWWRTJ-UHFFFAOYSA-N 418.562 5.407 0 1 HKAF CCOc1cccc(F)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cccc(OC(F)(F)F)c1 167725666 WCQJZAHESCTNJC-DYVFJYSZSA-N 411.395 5.233 0 1 HKAF c1ccc(C2=NN=C(c3ccccn3)[C@H]3[C@@H]2[C@H]2C[C@@H]3[C@@H]3[C@@H]4C[C@@H](c5ccccc54)[C@@H]23)nc1 169294240 QAEQEAQDVFBXJR-IKMCCQDISA-N 416.528 5.083 0 1 HKAF O=C(NCc1cccc(F)c1)C1CCN([C@@H]2CCCc3ccc4ccccc4c32)CC1 169312136 RKQMSMJMRZWWDC-RUZDIDTESA-N 416.540 5.385 0 1 HKAF O=C(O)COc1ccc(F)c(NCc2cc(-c3cccc(F)c3)ccc2Cl)c1F 218829628 PVHWDVDOKNDKIN-UHFFFAOYSA-N 421.802 5.500 0 1 HKAF Cc1nn2c(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c(-c3ccc(F)cc3)nc2s1 473113715 KJGYSNHXDUABHZ-UHFFFAOYSA-N 417.391 5.467 0 1 HKAF Oc1ccc(C2(c3nc4ccc(Sc5ccccc5)cc4[nH]3)CCOCC2)cc1 586913644 OJJCMUPILXXQPS-UHFFFAOYSA-N 402.519 5.516 0 1 HKAF Cc1ccc2c(ccc3nc(-c4ccccc4CS(=O)(=O)c4ccccc4)[nH]c32)n1 586922749 ZEORWBRMFPBVRW-UHFFFAOYSA-N 413.502 5.060 0 1 HKAF CN(Cc1ccccc1)[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586988295 IIXGSVPSUPSTOQ-GOSISDBHSA-N 420.512 5.141 0 1 HKAF Cc1ccc2c3c(cc([C@@H](C)c4ccccc4C(F)(F)F)nc13)-c1ccccc1C2=O 586993144 LTXUENRTYLZDTH-HNNXBMFYSA-N 417.430 6.925 0 1 HKAF COC(=O)c1ccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2n1 587060130 AQILEXKCAQHLSF-UHFFFAOYSA-N 414.852 5.280 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc3ccccc3cc2[nH]1)c1cccc(Cl)c1 587072001 RSBUUJQDALXZRD-IBGZPJMESA-N 421.928 6.178 0 1 HKAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1 587076779 NYIYKLHULNNKLY-UHFFFAOYSA-N 424.209 6.323 0 1 HKAF Cc1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cc1Br 587077394 WSZVSAOSESPATL-UHFFFAOYSA-N 417.694 5.122 0 1 HKAF CC(C)(C)c1cccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 587119460 WKUURNMTOJHKTF-UHFFFAOYSA-N 415.257 5.081 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc(Br)ncc4[nH]3)c(F)c2)c(F)c1 587149900 VVBZCRWPLCWVSC-UHFFFAOYSA-N 416.225 5.341 0 1 HKAF Fc1ccc(Oc2ccc(-c3nc4ccnc(Cl)c4[nH]3)cn2)c(Br)c1 587161670 ZYTYGGXBTGGPRS-UHFFFAOYSA-N 419.641 5.367 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(Oc3ccccc3)cc2[nH]1)C1CCCC1 587223447 BMFFRAFNKWWRHL-OAQYLSRUSA-N 407.514 6.111 0 1 HKAF C[C@]1(c2cnc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328965 LEALHIWOAPQNER-WIYYLYMNSA-N 418.251 5.507 0 1 HKAF CC1(C)[C@H]2CC[C@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@@H]2N=O 587336297 MOJZFOLEZNOSOS-XJBJTGGISA-N 409.457 5.220 0 1 HKAF CC[C@]1(c2ccc3c(c2)CCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355889 GVKGGNVGNNRPNQ-AOYPEHQESA-N 418.464 5.521 0 1 HKAF CCOC(=O)[C@@]1(C)CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587361825 CBVNMTLHMVUQKF-SANMLTNESA-N 415.489 5.715 0 1 HKAF COc1cc2c3c(c1)O[C@@](CCSc1ccccn1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587426211 ASLLPJSHNIKCGR-CYFREDJKSA-N 421.493 5.055 0 1 HKAF CN(C)/C=C/[C@@]1(c2cc(Cl)cc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587500761 ODGRZTDYZLWWGE-ZUTVHTERSA-N 416.348 5.808 0 1 HKAF O=C1CC(C(=O)c2ccccc2)(C(=O)c2ccccc2)Oc2c1ccc1c2CCCC1 587522648 JSAGOBQMMPGQSU-UHFFFAOYSA-N 410.469 5.035 0 1 HKAF CC(C)Cc1ccc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587528580 CELJOHWXBNDTOK-SANMLTNESA-N 406.522 5.489 0 1 HKAF CCCC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545078 GOSDHTGYMRQWNF-URXFXBBRSA-N 408.881 6.093 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C(F)(F)F)ccc1Cl 587545889 IKHPZXFBOFDREN-FXAWDEMLSA-N 420.770 5.767 0 1 HKAF CCCCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587593834 FEKDJAFYBXZRBR-DHLKQENFSA-N 404.462 5.448 0 1 HKAF C[C@@H]1C[C@H](c2ccccc2)C[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604137 ROLADEAPQTZMSV-ZOFLEUFXSA-N 400.474 5.696 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cccc(OC(F)F)c3)c2c1 587639703 BSOKFRQLIRVPQY-NSHDSACASA-N 411.370 6.533 0 1 HKAF CS(=O)(=O)c1ccc2[nH]c(CCCc3ccccc3)c(-c3ccc(Cl)cc3)c2c1 587648728 GRQCRFGWNZGMMS-UHFFFAOYSA-N 423.965 6.067 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccnc2cc(Cl)ccc12 587655742 QCEYYKLIPMZIQT-UHFFFAOYSA-N 419.818 5.533 0 1 HKAF Cc1ccc(Br)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587682586 ZWWICUMLXJGBFF-QGHHPUGFSA-N 413.128 5.283 0 1 HKAF Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]c2ccc(Cl)cc12 587699275 PVHILRGPXFOOJS-AYLIAGHASA-N 407.714 5.655 0 1 HKAF CC[C@]1(c2c(F)cc(F)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587721178 PBCMUVJXXCMLKJ-YYSFKGJASA-N 402.229 5.193 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(F)c2)N1 587728890 GCAUPYXLAJKCRC-JLCFBVMHSA-N 414.293 5.553 0 1 HKAF CC(C)CCOc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587788981 APDLJNRUIVOJMO-SZNDQCEHSA-N 406.339 5.637 0 1 HKAF CCCCCOc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587790797 GOMAABAQCXDXIW-SPLOXXLWSA-N 406.339 5.781 0 1 HKAF COc1ccccc1[C@@]1(C2CCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587810485 XPLDYBHSHIJXGO-JLCFBVMHSA-N 418.350 5.565 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCC(c3ccccc3)CC2)N1 587823068 OBFYSQCCNZJEBY-VDWHSDPQSA-N 402.351 6.138 0 1 HKAF CCCC[C@]1(c2ccc3c(c2)OCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 587831956 ANMVORCBKYAJBI-YEJXKQKISA-N 420.322 5.285 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccs3)s2)N1 587849687 VIVSDTNXODVWSE-MLCYQJTMSA-N 408.361 6.002 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NCc1ccc(F)cc1 587856501 XBBPTGQECXQCHC-UHFFFAOYSA-N 424.328 5.318 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3c(s2)CC(C)(C)CC3)N1 587856991 JUYFMSJADJQHQZ-QGHHPUGFSA-N 409.368 5.183 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(Br)ncc4[nH]3)c2C)c(OC)c1 587930886 WRQYZKVABQALOC-UHFFFAOYSA-N 424.298 5.380 0 1 HKAF CCCCc1ccc(-n2c(O)cc(-c3ccccc3OC)c2O)c(Br)c1 587935062 AZTFUOXADOXNHQ-UHFFFAOYSA-N 416.315 5.669 0 1 HKAF C(=C\c1cccc2ccccc12)\c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587967435 HRUWMJOVGQHNND-SQFISAMPSA-N 403.510 7.163 0 1 HKAF CN(c1ccccc1)c1ccc([C@@H]2c3ccsc3CCN2Cc2cccn2C)cn1 962400179 SSAPLERCJASTHO-RUZDIDTESA-N 414.578 5.397 0 1 HKAF CCn1cc([C@H]2NCCc3cccc(-c4ccccc4)c32)c2c(C(=O)OC)cccc21 962676272 YHXWSCIIMAVEMM-AREMUKBSSA-N 410.517 5.350 0 1 HKAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@H]2c1cccc(-c2ccncc2)c1 962951107 GIDYBDQVVOVBRK-QHCPKHFHSA-N 424.466 5.508 0 1 HKAF Cc1cc(Cl)cc2c([C@@H]3c4ccc(F)cc4C[C@H]4CCCN34)c(C(C)(C)C)[nH]c12 963112904 XULJXIJXGGKOGT-JPYJTQIMSA-N 410.964 6.676 0 1 HKAF C[C@H]1c2ccccc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)N(C)Cc1ccccc1 1772573000 AZYQONGTQTXNKA-YADHBBJMSA-N 413.565 5.710 0 1 HKAF CC(=CCN1[CH]N(C)c2ncnc(N)c21)CC[C@@]1(C)[C@@H]2CCC=C(C)[C@]2(C)CC[C@H]1C 2356311815 IMMRUMDJLDNKKI-DYCBMTEISA-N 422.641 5.960 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356406671 CPQUIAPJXYFMHN-FGAXOLDCSA-N 400.691 7.635 0 1 HKAF O=C(Nc1ccc(F)cc1)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1[C@H]2Cc1ccccc1 203468081 RVKFILMUDFTQJZ-FRPFDOCJSA-N 408.517 5.248 0 3 HKAF COc1ccc([C@@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1 1534475 UOWVHDKXSQIRDC-HHHXNRCGSA-N 421.540 5.927 0 1 HKAF Clc1ccc(-c2c[nH]cc2[C@H](c2ccc(Cl)c(Cl)c2)n2ccnc2)cc1 5974192 OWIBGQINWFGTJY-FQEVSTJZSA-N 402.712 6.476 0 1 HKAF COc1cc2c(c(OC)c1-c1c(C)cc(OC)c3c(OC)cccc13)C(C)=N[C@@H](C)C2 6202300 RYNWWOJXABDOHD-HNNXBMFYSA-N 419.521 5.603 0 1 HKAF biogenic CN(C)CC[C@H](OC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 13684778 ZTUXOMDHDGFDQX-QHCPKHFHSA-N 408.929 6.249 0 1 HKAF O=C(Nc1ccccc1)N[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 13744558 GRGXUZPPQHVLIM-UIOOFZCWSA-N 411.549 5.103 0 1 HKAF Cc1nnc2n1-c1sc(/C=C\c3ccccn3)cc1C(c1ccccc1Cl)=NC2 13821430 PYGYOVLHCZXVLH-KTKRTIGZSA-N 417.925 5.207 0 1 HKAF CCCCCCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 14655238 VWHXJDUTSLNOGD-LDKDYMQTSA-N 408.711 8.885 0 1 HKAF CC(C)(C)c1ccc([C@H](c2cccc(O)c2)N2CCN(Cc3ccccc3)CC2)cc1 22446996 PNVIEMCZBRMSPB-HHHXNRCGSA-N 414.593 5.597 0 1 HKAF in-vivo C[C@H]1CN(C[C@@H](C)n2cc(C(=O)c3cccc4ccccc34)c3ccccc32)CCO1 26484961 QHEXMQRSPDIKKB-UXHICEINSA-N 412.533 5.307 0 1 HKAF CC[C@@]1(c2ccccc2)c2ncn(Cc3ccccc3)c2NC(=O)N1Cc1ccccc1 27644277 ASMWYCNLQMIXRL-HHHXNRCGSA-N 422.532 5.633 0 1 HKAF CCCCCN[C@@H](c1ccc(OC)cc1)[C@H](NCCCCC)c1ccc(OC)cc1 27901835 SBSPVTRMYXNIFB-WMPKNSHKSA-N 412.618 6.046 0 1 HKAF CCOP(=O)(OCC)O[C@@H](c1ccc(Cl)cc1)P(=O)(OCC)OCC 29222401 RWYDAIXXGPFTDF-OAHLLOKOSA-N 414.759 5.802 0 1 HKAF C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@@H]1O 44019122 OFHCOWSQAMBJIW-FFVLKWEISA-N 400.647 6.590 0 1 HKAF CN1CCC(C(=O)Nc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)CC1 45301420 SRBIIHUDMFYMCJ-UHFFFAOYSA-N 410.521 5.177 0 1 HKAF Cc1cc2oc(-c3ccc(NC(=O)COc4ccccc4C)cc3)nc2cc1Cl 45384786 CWLVQDVTYUTHEY-UHFFFAOYSA-N 406.869 5.783 0 1 HKAF O=C1CC2(CCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21 49046819 OMWKLZJZJXOYOV-UHFFFAOYSA-N 424.327 7.000 0 1 HKAF CS(=O)(=O)c1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1 49071918 XXDKEHVYHBBFNK-JOCHJYFZSA-N 410.926 5.099 0 1 HKAF Cc1cccc(C)c1[C@@H](Nc1ccc(Cl)cc1Cl)C(=O)CCc1ccncc1 52595162 WJRMFBQARDTXOP-QHCPKHFHSA-N 413.348 6.360 0 1 HKAF Cc1ccccc1Sc1cc2ccccc2[n+](CCCCCC2CCCCC2)c1 71316770 DXVQLYRFBVHSKM-UHFFFAOYSA-N 404.643 7.728 0 1 HKAF c1ccc2cc(-c3nc4ccccc4n3-c3ccnc(NC4CCCCC4)c3)ccc2c1 95586682 IGWWQFBSMMAYKV-UHFFFAOYSA-N 418.544 6.985 0 1 HKAF CN(C)c1ccc(-c2n[nH]c3c2Cc2cc(CN[C@H]4CC[C@H](C)CC4)ccc2-3)cc1 101115304 DLJXSKFNKGLWBI-UEDWGHLCSA-N 400.570 5.382 0 1 HKAF CCCCC(=O)OC1=C(c2cccc3ccccc23)Oc2ccccc2[N+]2=C1CC=C2 101374383 HIMLJSJTZKQMNI-UHFFFAOYSA-N 410.493 6.337 0 1 HKAF O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)NC1C[C@H]2CC[C@H](C1)N2C1CCCC1 101876220 PCWHTYQLARQJBV-HZPDHXFCSA-N 415.887 5.418 0 1 HKAF Cc1cc(Br)c2c(c1)CN1CN2Cc2cc(C)cc(Br)c21 103181352 URVUDQZBRJLJHH-UHFFFAOYSA-N 408.137 5.126 0 1 HKAF CCCC1([C@@H](O)c2cccc([C@H]3CCC(=O)[C@@H]3CCCCCCC(=O)O)c2)CCC1 117771532 HOCLEBHKVQABNF-RQTOMXEWSA-N 414.586 6.178 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](O)[C@@H]4C[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 118937083 YYVUMXYSCXRWIL-YEDDGORTSA-N 416.690 6.584 0 1 HKAF endogenous,in-man Cc1onc(-c2ccccc2)c1CSc1ccc(C(=O)Nc2ccc(F)cc2)cn1 145259351 IUQXLVWKDBMRHP-UHFFFAOYSA-N 419.481 5.729 0 1 HKAF CNC[C@H](c1ccc(-c2c(O)cc(C)c3[nH]c(=O)c4sccc4c23)cc1F)C(C)C 164945052 KUHQUAWXAIOBAL-KRWDZBQOSA-N 424.541 5.522 0 1 HKAF C[C@H]1C[C@H](CC(=O)O)CCC12CCN(c1cc(OC(F)(F)F)ccc1Cl)CC2 209048435 YXMYUZGNDIAWAU-UONOGXRCSA-N 419.871 5.736 0 1 HKAF C[C@H]1CC[C@]2(C[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)NC1 255198104 BERPQBQZDVMCHH-FIPFOHQFSA-N 411.674 5.951 0 1 HKAF CC1(C)C=C[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 257402588 DAYKSLOBCZJGHS-SVGPYXQHSA-N 424.713 7.945 0 1 HKAF endogenous,in-man Cc1ccc(Nc2ccnc(NCCNc3ccnc4cc(Cl)ccc34)n2)cc1 299837990 PVANLFZOFGDLOL-UHFFFAOYSA-N 404.905 5.254 0 1 HKAF Cc1nc(-c2c[nH]cc2-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cs1 587022174 VRYFEGHPXVOMTQ-UHFFFAOYSA-N 417.332 5.540 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc4c(c3[nH]1)CCCC4)N2 587031568 ONOUCQDQYKWXSK-VZWMTCDZSA-N 424.595 5.569 0 1 HKAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)n1 587080003 MHFXQJJXOMJNKI-ZETCQYMHSA-N 421.648 5.832 0 1 HKAF FC(F)(F)c1cc(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)cc(C(F)(F)F)c1 587110296 QQJLZTUVGRPJEV-UHFFFAOYSA-N 413.148 6.498 0 1 HKAF Cc1cc(-c2nc3c(C(F)(F)F)cccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587143972 DEXDZDZPGGMEAN-UHFFFAOYSA-N 414.358 6.061 0 1 HKAF CC1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(F)cc2O1 587336663 QZLLFSHHLZCEKO-RDGATRHJSA-N 422.427 5.486 0 1 HKAF C[C@]1(c2ccc(O)c3ncccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344859 HMLTYYDBAOLCQO-RCZVLFRGSA-N 415.420 5.059 0 1 HKAF COc1cccc(-c2cc(-c3c(F)cc(Cl)cc3F)nc3c2oc2ccccc23)c1 587360933 VCVBTZKKRRMJQS-UHFFFAOYSA-N 421.830 7.255 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C(C)C[C@H]3c2ccccc2)c1 587364678 AEUUELJBKVTRLR-QHCPKHFHSA-N 417.508 7.596 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(COc1ccc(-c4ccc(C)cc4)cc1)[C@@H](C2)C3=O 587438515 GGOLUOCERXEYFG-NVQXNPDNSA-N 400.474 5.256 0 1 HKAF COc1cc2c3c(c1)O[C@]1(CCCc4nc(-c5ccc(C)cc5)sc41)[C@@H](C2)C3=O 587449649 CDPFLDHWCLJERJ-BXKMTCNYSA-N 403.503 5.106 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccc(C(=O)O)cc3)cc1)CC2=O 587487710 HUPOBQCCMVEFAN-AREMUKBSSA-N 416.473 5.591 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cccc3ccccc13)CC2=O 587491683 YJVJBIVLDPOSNM-MUUNZHRXSA-N 408.497 6.407 0 1 HKAF Cc1nc2ccccc2c(Cl)c1CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587499690 MFBSNQTYZLBHEG-AREMUKBSSA-N 419.952 6.432 0 1 HKAF O=C1C[C@](Cc2ccccc2Cl)(c2ccccc2)Oc2c1ccc1c2CCCC1 587506538 NHUVKWHIOWAUDY-AREMUKBSSA-N 402.921 6.322 0 1 HKAF O=C1C[C@](c2cccc(F)c2)(c2cccc(Cl)c2)Oc2c1ccc1c2CCCC1 587507297 VSABEFZDBHFFOE-RUZDIDTESA-N 406.884 6.267 0 1 HKAF C[C@H]1CCCCCCCCCCCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587524093 JYXZLJKMFDHXOE-RBISFHTESA-N 410.642 7.990 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2cccs2)n1 587614212 RUAHPWGCMVXHHY-PXNSSMCTSA-N 407.472 5.280 0 1 HKAF Cc1cc(C)c(NC(=O)c2c(-c3ccccc3)[nH]c3c(C(=O)O)cccc23)c(Cl)c1 587638080 IUIBJHALFWBWLH-UHFFFAOYSA-N 418.880 6.056 0 1 HKAF COC(=O)[C@@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2c(C(=O)O)cccc12 587638758 PHSUGLMSXYKTKN-IBGZPJMESA-N 419.864 5.491 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(C(F)(F)F)c2)N1 587714712 WRCIARZPBYDUGX-ZKANADHPSA-N 406.192 5.370 0 1 HKAF Cc1ccc(Cl)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1F 587714879 GGJNBTNEYIFWIV-MGNBDDOMSA-N 400.694 5.487 0 1 HKAF CC[C@]1(c2cc(F)c(F)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587715648 IJFKFZXNICJIFS-NIVTXAMTSA-N 402.229 5.193 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3)c(F)c2)N1 587724540 IXQATULCGNBFLA-DMZKTXOQSA-N 414.293 6.018 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3)cc2F)N1 587726090 UGHAEZBWTPWTQH-DMZKTXOQSA-N 414.293 6.018 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2F)N1 587729043 UPIBZRQRXUHXAW-PEBXRYMYSA-N 414.293 5.553 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=Cc3ccc(N)c4cccc2c34)N1 587742812 BCPWJDILQSJSSW-IPQOISQHSA-N 409.302 5.128 0 1 HKAF Cc1cccc(C)c1-n1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587755294 ONSKWDLPLGIRKE-YCRPNKLZSA-N 413.334 5.619 0 1 HKAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587926565 ISFOTAYAZHLQBT-LJQANCHMSA-N 400.478 5.353 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c(O)c2)cc1OC 587926662 KSSIZOITAOGLJH-UHFFFAOYSA-N 415.371 5.034 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(F)cc2[nH]1 587963082 ZSHZOZYTDURAPG-XSCOUVMYSA-N 420.616 8.556 0 1 HKAF COc1ccc2c(c1)[C@@](c1cccc(Br)c1)(C(C)(C)C)N(C(C)C)CC2 962095806 WSLIEGQBNRZIMY-QHCPKHFHSA-N 416.403 6.014 0 1 HKAF COc1ccccc1[C@@]1(c2ccccc2F)NCCc2cccc(-c3ccccc3)c21 962665970 SBUMSJONINHRJU-MUUNZHRXSA-N 409.504 5.939 0 1 HKAF Oc1cc(O)cc(CCCCCCC=CCCCCCCc2cc(O)cc(O)c2)c1 2356420966 SVPVGQFYXVXBRQ-UHFFFAOYSA-N 412.570 6.751 0 1 HKAF CC(C)CCCCCCCCCCCCCCCC=CCCC=CCCCC(=O)O 2356460328 QNOUWBLGEQAMLS-UHFFFAOYSA-N 420.722 9.641 0 1 HKAF CC(=CCO)CCC1=C(C)[C@H](O)[C@H](OC(=O)CC(C)C)[C@H]2C(C)(C)CCC[C@@]12C 2356471096 KLRYQYMRBCEOHD-LCXINAFSSA-N 406.607 5.187 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C[C@@]2(C)CC(=O)[C@@](C)(OC(=O)C(C)=CC)CCC2=C1C(C)C 2356495973 AABQSYFDCUZGSR-NGXZDTIWSA-N 416.558 5.248 0 1 HKAF CC1(C)[C@H](O)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](c5c[nH]c(C=O)c5)CC[C@]4(C)C3=CC[C@@H]12 2356518393 OSIJEJSDZVRPGU-UDBPGNRPSA-N 409.614 6.261 0 1 HKAF C[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC=C2[C@@]4(C)CC(C)(C)CC[C@@]4(C)CC[C@@]23C)C1(C)C 2356550096 KZDKZGPACCJOQH-JHIWYETDSA-N 424.757 9.444 0 1 HKAF CC(C)[C@H](O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356571562 VDKSIHRRZLCAGD-GEUDSKHKSA-N 420.678 5.410 0 1 HKAF CC(C)CNC(=O)C=CC=CCCCCCCC=CCCc1ccc2c(c1)OCO2 2356739537 HWFAZYWAXLPNDY-UHFFFAOYSA-N 411.586 6.129 0 1 HKAF C[C@H](CC[C@@H]1CC1(C)C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356826740 HJRZYGICTMFDLO-KHUAQDFASA-N 400.691 7.469 0 1 HKAF CC[C@H](C)Sc1cccc(-c2nc3ccc(Cl)cn3c2NCc2ccccc2)c1 36382344 SXDCCWYMNNTMKF-KRWDZBQOSA-N 421.997 7.157 0 3 HKAF N[C@@H](c1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1)c1ccccc1Cl 61904730 YGBNDFUOOIXMCF-OAQYLSRUSA-N 419.937 5.819 0 3 HKAF C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(Cl)c4)cn3)[C@H]12 3940298 URIAMYZTLSIYIG-HLBWOJLBSA-N 421.968 6.419 0 1 HKAF CCCN(CCC)c1nccn2c(N(CC)c3ccc(Cl)cc3Cl)nc(C)c12 13437355 DJESCVLNLYMTDM-UHFFFAOYSA-N 420.388 6.129 0 1 HKAF Oc1c(Oc2cc(Cl)c(Cl)c(Cl)c2O)cc(Cl)c(Cl)c1Cl 13529721 UAHVJTGPSLMIDJ-UHFFFAOYSA-N 408.879 6.811 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC1CCC(O)CC1 13795213 HPRUEGPJJIRILR-DOFZRALJSA-N 401.635 6.552 0 1 HKAF C[C@@H](C(=O)OCCCc1ccccc1)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27556796 CTGIXAGBIQLQDR-QIJUGHKUSA-N 422.590 6.061 0 1 HKAF O=C(O)c1cccc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)n1 28335098 CZCMZYYRRYEIHW-UHFFFAOYSA-N 421.905 6.408 0 1 HKAF Brc1ccc(CO[C@@H](Cn2cnc3ccccc32)c2ccccc2)cc1 28821357 YIDYYGFVNWYRKX-QFIPXVFZSA-N 407.311 5.757 0 1 HKAF C[C@@H](c1nc(-c2ccc(Br)cc2Cl)no1)[C@H](N)C(F)=C1CCCC1 29126167 WOJHAWDLHGHGPN-PSLIRLAXSA-N 414.706 5.381 0 1 HKAF COc1cccc2c1-c1ccc3c(c1[C@H](CC1=CCCCC1)O2)C(C)=CC(C)(C)N3 29417489 GHGBCVLTHVCEHB-QHCPKHFHSA-N 401.550 7.294 0 1 HKAF Cc1cc(Br)cc(COC[C@@H](N)C(c2ccccc2)c2ccccc2)c1 29554919 AOUOEYLYUIJTPB-JOCHJYFZSA-N 410.355 5.434 0 1 HKAF CCCCc1ccc(-c2ccc3c4c([nH]c3c2)-c2ccc(C(=O)N(C)C)cc2CC4)cc1 34892833 BSHFYZVXSDGEMD-UHFFFAOYSA-N 422.572 6.645 0 1 HKAF CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 35848748 ZMYWGDOERFHVLQ-PEEJMARWSA-N 416.646 5.250 0 1 HKAF O=C1NC(=O)c2c1c(-c1cccc(-c3ccccc3)c1)cc1[nH]c3ccc(O)cc3c21 36471346 LKAVNFFKMMGDJV-UHFFFAOYSA-N 404.425 5.244 0 1 HKAF COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1-c1ccc2cc(C(=O)O)ccc2c1 40864181 OEEFSHZKBUEFEQ-UHFFFAOYSA-N 412.529 6.681 0 1 HKAF CC(=O)Oc1ccccc1-c1nnc(CCC(=O)c2ccc(-c3ccccc3)cc2)o1 43015873 JTARGVOTASEFPL-UHFFFAOYSA-N 412.445 5.144 0 1 HKAF CC[C@H](C)CNC(=O)c1ccc(OC2CCN(CC3CCCCC3)CC2)c(Cl)c1 45315796 CAQWFVVXDRCHJT-SFHVURJKSA-N 421.025 5.539 0 1 HKAF Cc1cc(C)cc(NC(=O)Nc2c(-c3ccc(F)cc3)[nH]c3ccccc3c2=O)c1 49046305 CHOAIKBSHTVKSR-UHFFFAOYSA-N 401.441 5.595 0 1 HKAF Brc1ccc([C@]2(Cc3ccccc3)c3ccccc3-c3nccn32)cc1 72110988 GBWAZMTYWIUTEB-HSZRJFAPSA-N 401.307 5.661 0 1 HKAF CC1CCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)CC1 82165914 SWTDSTPZTARMHE-UHFFFAOYSA-N 402.523 5.763 0 1 HKAF CNc1nc(-c2cc(OC)c(OC)c(OC)c2)c(-c2ccc3ccccc3c2)s1 95558450 ICHCFHWPPUZYDE-UHFFFAOYSA-N 406.507 5.698 0 1 HKAF CC[C@@H](Nc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12)c1ccccc1 95603971 FRCSDAZKXTYDMZ-JOCHJYFZSA-N 405.501 7.120 0 1 HKAF CC(C)(C)OC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1 96318659 SVTNFNAXOFWCDX-UHFFFAOYSA-N 417.553 5.248 0 1 HKAF C[C@@H]1[C@H](c2ccccc2)O[C@H](c2ccccc2)C[C@@]12NC(=S)NN2c1ccccc1 103202653 HXGODZIWQXKTCE-ZJNJKDKRSA-N 415.562 5.121 0 1 HKAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2C)C2=C(O)CC(C)(C)CC2=N1 103996776 MVNAMFJTUFTLRL-VGSWGCGISA-N 409.526 5.162 0 1 HKAF CCN(CC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 169335742 XCPAQQVJFUBFMM-QHCPKHFHSA-N 415.364 6.098 0 1 HKAF O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1Cl 199853749 SSZGFAXEFRIGMM-UHFFFAOYSA-N 418.802 5.863 0 1 HKAF Cc1cc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2cc1Br 586901619 UXDZJBFRVNTDJM-UHFFFAOYSA-N 411.255 5.285 0 1 HKAF Cc1ncc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(C)c1Br 586978816 IZQRFHSRILWBRW-UHFFFAOYSA-N 420.616 5.556 0 1 HKAF Nc1ccc(N2CCCC2)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988411 QYRQJPWQUAUBJW-UHFFFAOYSA-N 407.473 5.001 0 1 HKAF Cc1ccc(-c2nc(-c3nc4ccc(F)c(Br)c4[nH]3)c(C)s2)cc1 587013456 OPMIFBHAWIOUCY-UHFFFAOYSA-N 402.292 5.872 0 1 HKAF Cc1ccc(-c2nc3c(C)ccc4c3c(c2CCCC(=O)O)-c2ccccc2C4=O)cc1 587100698 ONPWMFYJYBRGPI-UHFFFAOYSA-N 421.496 6.137 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(Br)cc(F)c3O)nc3cccc1c23 587103225 IJGMYFOJOQDGNK-UHFFFAOYSA-N 420.237 5.720 0 1 HKAF Fc1ccc(/C=C(/c2nc3cccc(OC(F)(F)F)c3[nH]2)c2cccs2)cc1 587164468 RLXAWAHEZXXJKM-SDNWHVSQSA-N 404.388 6.251 0 1 HKAF CC(C)(C)c1cccc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c12 587258275 DVUUPIBJDDCBBR-FQEVSTJZSA-N 400.526 5.432 0 1 HKAF CCCCC/C=C/C/C=C\CCCCCCCC(=O)c1coc2ccc(Cl)cc12 587276728 SLGXREARJQHLQJ-KQHSAVHASA-N 415.017 9.082 0 1 HKAF CC(C)[C@]1(CCc2cccc(N)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341003 XKQPKWRJBIILIS-AHWVRZQESA-N 419.496 5.500 0 1 HKAF CCCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587347014 KMCNPYGOXGLJDS-NOZRDPDXSA-N 406.453 5.594 0 1 HKAF COc1cccc(-c2c(CC(=O)O)c(-c3ccc(N)cc3)nc3c2oc2ccccc23)c1 587362273 GHGZIVORNJEHOW-UHFFFAOYSA-N 424.456 5.533 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1c(C)[nH]c3ccccc13)O2 587383787 GTFCSXOONLXRJU-RUZDIDTESA-N 400.453 5.415 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1ccc(OC)cc1)CC2=O 587466254 JXRWSPYISQJYNX-VWLOTQADSA-N 406.453 5.401 0 1 HKAF CC[C@]1(c2ccc(Br)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587495246 BWULZXABLNVYOW-OAQYLSRUSA-N 419.746 6.252 0 1 HKAF Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nnn1Cc1ccc(Cl)cc1 587500067 LLLLADBZMHKBAH-DEOSSOPVSA-N 421.928 5.048 0 1 HKAF CCc1cccc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C(C)(C)C)[nH]c12 587527685 VJYGDJBXXVYUPJ-JOCHJYFZSA-N 401.550 6.613 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1CCC(F)(F)F 587545137 GKKVJKXNRRPUNZ-UGKGYDQZSA-N 414.379 5.590 0 1 HKAF CC(C)(C)C[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569708 IXHSNTBZYRQUDI-OFVILXPXSA-N 406.453 5.825 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2cccs2)c1 587613820 QSBZSQZXUFSBOF-ZJSXRUAMSA-N 400.455 5.824 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1sccc1Oc1ccccc1 587615536 YBKZHMBWJTUWCO-NFBKMPQASA-N 416.454 5.949 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2cccs2)n1 587616227 ZGTBBWWVCGMTND-OFNKIYASSA-N 401.443 5.219 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](Cc2ccc(Br)cc2)N1 587686222 ZWMODUALFOHJEK-BMIGLBTASA-N 413.128 5.169 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OCC2CC2)N1 587700571 UYOGOZHFWPZOMF-BIBXISHDSA-N 424.741 5.654 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(F)c3)s2)N1 587728129 CVLCBPSUCUMHMH-YBTHPKLGSA-N 420.322 6.079 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2Cc2ccccc2F)N1 587729653 WKVZQJVLFIRYOU-LRTDBIEQSA-N 417.297 5.201 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccccc3F)c2)N1 587730194 WYZSJQYCFPVFQF-DMZKTXOQSA-N 414.293 6.018 0 1 HKAF CCCOc1c(C)cc(C)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587791394 IBDIVRCYKKTFPD-VLIAUNLRSA-N 406.339 5.617 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccc(O)cc2)N1 587831890 IJQKWJRPYYZJFY-MCMMXHMISA-N 412.302 5.584 0 1 HKAF COc1ccc([C@H](c2ccccc2)c2nc3cc(Br)c(C)nc3[nH]2)cc1 587933877 YDDBUULHBDBFLR-IBGZPJMESA-N 408.299 5.218 0 1 HKAF CC(C)Cc1ccc([C@@H](C)C(=O)NCCCC(=O)Nc2ccccc2Cl)cc1 653779472 RNGDVTUWDBNXMV-QGZVFWFLSA-N 400.950 5.177 0 1 HKAF COc1cc2c(cc1C(C)=O)CC[C@H]1C(C)(C)[C@@H](OC(=O)C(F)(F)F)CC[C@]21C 653802230 YZBQCSHZYQACQN-BBTUJRGHSA-N 412.448 5.012 0 1 HKAF Clc1ccc(N2CCC3(CC2)NC2(CC2)Cc2ccc(Br)cc23)cc1 961611712 CWPXHJUKOSWZBA-UHFFFAOYSA-N 417.778 5.277 0 1 HKAF Clc1ccccc1C[C@@]1(c2ccco2)c2ccsc2CCN1Cc1cccnc1 962993278 ARWGOZQUNCHREO-DEOSSOPVSA-N 420.965 5.934 0 1 HKAF Cc1cc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc(C)c1OCc1ccccn1 963100063 PYMRQNQHPGDMDN-UKILVPOCSA-N 402.513 5.526 0 1 HKAF CCCCCC[C@H](Sc1nc2ccc(NCc3ccccc3)cc2s1)C(=O)O 1857616781 IQXYNQBOHVNJHU-IBGZPJMESA-N 414.596 6.424 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1)C(C)C 2356404308 KCJIRIALUVVFBL-BOCGFSQCSA-N 412.702 7.945 0 1 HKAF CC=C(C)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CC[C@H](C)CCO)[C@](C)(O)CC[C@H]21 2356441743 CSXQRUZQGRCJDJ-KSJLGPNYSA-N 408.623 5.268 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@@H](O)C[C@@H]1CC3)C(C)C 2356536890 UEZKFNIGXFVXCX-JCINGTJSSA-N 412.702 8.089 0 1 HKAF C[C@H]1CC[C@]2(NC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5CC(O)=CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 2356592585 CUAMUAVAAWICIQ-QCYMNHMOSA-N 413.646 6.058 0 1 HKAF Cc1cc(C)c(NC(=O)c2ccc3nc(NC(=O)OC(C)(C)C)sc3c2)c(C)c1 1489983 DEGBTUYUBLWHOO-UHFFFAOYSA-N 411.527 5.821 0 1 HKAF O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2ccccn2)n1 13534762 WEHXTYFZRAPTMR-UHFFFAOYSA-N 410.260 5.606 0 1 HKAF Cc1nc2cnccc2n1C1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 13745807 DOYLLQXZMXPFEJ-UHFFFAOYSA-N 424.548 5.125 0 1 HKAF FC(F)(F)c1ccc(Nc2nnc(-c3cnccc3CCc3ccncc3)o2)cc1 14946597 MXLIRSGXXHLKRD-UHFFFAOYSA-N 411.387 5.074 0 1 HKAF Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4ccc5ccccc5c4)c3)cc12 14957844 MERRRAMHGZHLJY-QHCPKHFHSA-N 408.505 5.035 0 1 HKAF O=C1O[C@H](c2ccc(Cl)cc2)[C@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 26010250 YRFHIEKXDRILPA-AEFFLSMTSA-N 424.671 5.042 0 1 HKAF CN1CC[C@@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3N(Cc3ccccc3)[C@H]12 26738904 UUQLGETXWSEMFB-AHWVRZQESA-N 413.521 5.237 0 1 HKAF Clc1ccc([C@@H](c2c[nH]cc2-c2cccc3ccccc23)n2ccnc2)c(Cl)c1 28473905 JMNHBCQWFJFBQW-DEOSSOPVSA-N 418.327 6.976 0 1 HKAF C[C@H](c1csc2ccccc12)N(CCCN)C(=O)CCCc1c[nH]c2ccccc12 28825807 NGPSXTZXSLHUJZ-GOSISDBHSA-N 419.594 5.644 0 1 HKAF c1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccccc3)CC2)cc1 29566294 BVBWQMAIZMFKRW-UHFFFAOYSA-N 410.565 5.204 0 1 HKAF O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(CC2CCCCC2)CC1 34802323 WIQPTWADILJWQN-UHFFFAOYSA-N 417.597 5.000 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@](O)(CCC5CCCCC5)CC[C@]34C)[C@@H]1CCC2=O 36409346 CEDQNRBMGRLFFJ-NOCVFQRISA-N 400.647 6.690 0 1 HKAF CC(C)N(CCC(CCN(C(C)C)C(C)C)(C(N)=O)c1cccc(Cl)c1)C(C)C 39254117 WTSGSLRSTXJBEH-UHFFFAOYSA-N 424.073 5.081 0 1 HKAF CCCCOc1cc(O)c(C(=O)CC(C)C)c(OCCCC)c1C(=O)CC(C)C 40420973 CDIRWPHKGYEHOF-UHFFFAOYSA-N 406.563 6.208 0 1 HKAF S=C(NCc1ccccc1)Nc1cccc(OCCCCCc2ccccc2)c1 40950573 ZJYARLFCLZSWIM-UHFFFAOYSA-N 404.579 5.965 0 1 HKAF N=C(N)c1ccc2nc(-c3ccc4nc(-c5cccc6ccccc56)[nH]c4c3)[nH]c2c1 42879089 FPWAUSTVEYCSIQ-UHFFFAOYSA-N 402.461 5.210 0 1 HKAF CCCc1ccc(C(SC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc2)cc1 66123071 UAWXOHNBCTWLGC-QHCPKHFHSA-N 405.563 5.076 0 1 HKAF FC1CCN(Cc2cccc(-c3nc(-c4ccc(Cl)cc4Cl)c[nH]3)c2)CC1 66252181 IPPBEGLUKNRALZ-UHFFFAOYSA-N 404.316 5.984 0 1 HKAF O=c1c(-c2ccccc2F)c(Br)cnn1Cc1cccc2ccccc12 73316359 NJLVMCBAZKSJBQ-UHFFFAOYSA-N 409.258 5.013 0 1 HKAF COc1ccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccc(F)cc3)n2)cc1 82165113 CYWYYZOCJDGGID-UHFFFAOYSA-N 418.472 5.218 0 1 HKAF O=C(Nc1ccc(-c2cccc3[nH]nc(O)c23)cc1)Nc1cccc(C(F)(F)F)c1 84758609 UIQOCMHKJKEKNV-UHFFFAOYSA-N 412.371 5.598 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 95618338 YSKVBPGQYRAUQO-WFACIVKZSA-N 414.718 8.025 0 1 HKAF endogenous,in-man COC(=O)c1ccc(-c2n[nH]c3c2Cc2cc(CN[C@H]4CC[C@H](C)CC4)ccc2-3)cc1 101107384 JTNRIWFDXWSSCU-NBEIKUQISA-N 415.537 5.103 0 1 HKAF O=C(Nc1ccccc1)Oc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@@H](C2)N(CC1CC1)CC3 101115014 PNQVNINMHSUQSR-HYZYYIOASA-N 416.565 5.766 0 1 HKAF COc1ccnc(OC)c1[C@H]1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1 103258856 JVILZWKBBUPTPP-LJQANCHMSA-N 416.477 5.252 0 1 HKAF CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(O)c2)C2=C(O)CC(C)(C)CC2=N1 104071071 RHIDSZGCSLFKIV-QHCPKHFHSA-N 417.505 5.580 0 1 HKAF Oc1c(-c2ccc(Br)cc2)n(-c2ccccc2)c(=S)n1-c1ccccc1 169719329 CMXHRZQCFYVJPN-UHFFFAOYSA-N 423.335 6.133 0 1 HKAF Cc1cc(N2CCC(c3cccc(Cl)c3)CC2)cc(C)c1NC(=O)CC(C)(C)C 207455821 JPPYKMRLQWJXRA-UHFFFAOYSA-N 413.005 6.716 0 1 HKAF CC1=C(O)/C(=C\[C@@H](C)CCC/C=C(\C)CCc2coc(Cc3ccoc3)c2)OC1=O 238780514 AXEKDYZDPHMMNX-JNGXPILQSA-N 410.510 6.421 0 1 HKAF Cc1ccccc1C(=O)c1cccc([C@H](C)CN2CCCC[C@H]2CC2CCCCC2)c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c1cc2nc(-c3cccc4c3OCC4(C)C)[nH]c2cc1Br 586912530 VMTXKGDWGBFMRM-UHFFFAOYSA-N 415.331 5.841 0 1 HKAF Clc1cccc(/C=C/c2nc3c(Br)cnc(Cl)c3[nH]2)c1Cl 587055752 XIRCKOOEQRWOER-SNAWJCMRSA-N 403.494 5.851 0 1 HKAF Cc1c(-c2nc3ccc(Br)c(F)c3[nH]2)cnn1-c1ccc(Cl)cc1 587075946 OWWVRYTZMYXIIN-UHFFFAOYSA-N 405.658 5.279 0 1 HKAF Cc1cc(Br)cc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c12 587076234 RNNYHMOQBYMKKF-UHFFFAOYSA-N 401.695 5.448 0 1 HKAF CC(C)Oc1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2cc1Br 587093108 VJNNVJXXIWVZPE-UHFFFAOYSA-N 418.213 5.263 0 1 HKAF CCOC(=O)Cc1c(-c2cccs2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587101215 DIOXSZLLYHDTBD-UHFFFAOYSA-N 413.498 5.589 0 1 HKAF COC(=O)c1ccc2nc(-c3ccc(-c4cc(OC)ccc4Cl)c(F)c3)[nH]c2c1 587142958 HXXWHKMZXFXUGX-UHFFFAOYSA-N 410.832 5.485 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)cc2F)c1 587144114 PTFOUFMSIJYDHX-UHFFFAOYSA-N 418.468 6.040 0 1 HKAF CC[C@H](Oc1ccccc1F)c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 587154187 ABNNUFBHQUVDSQ-NRFANRHFSA-N 420.440 5.811 0 1 HKAF Clc1ccc(I)cc1-c1nc2ccc3ncccc3c2[nH]1 587182611 KNCUPYRBGZGOPW-UHFFFAOYSA-N 405.626 5.036 0 1 HKAF c1ccc(CN(Cc2ccccc2)[C@H]2CCc3nc4cccc5c4c(c3C2)CC5)cc1 587212930 MVPBPZLGHLKQLL-DEOSSOPVSA-N 404.557 5.893 0 1 HKAF CCC[C@H](C)OC(=O)Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587362408 HCCGKFZZWNXJEQ-INIZCTEOSA-N 403.478 5.931 0 1 HKAF COc1cccc(-c2cc(-c3ccc4nc(O)sc4c3)nc3c2oc2ccccc23)c1 587367153 UFSBNHFGMOVJSA-UHFFFAOYSA-N 424.481 6.639 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(c3ccccc3)Oc3ccc(Cl)cc31)O2 587378902 FIZGLUAZRBVITM-DEOSSOPVSA-N 403.865 5.525 0 1 HKAF CC(=O)N(c1ccc(C)c(C)c1)c1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1 587413459 OHZKVRLDCIHFET-NRFANRHFSA-N 421.522 5.042 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc(C(F)(F)F)c4)cc1)[C@@H](C2)C3=O 587423167 RVUUEPORFLIVKW-WMZHIEFXSA-N 410.391 5.870 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1cccc(Cl)c1)(c1cc(C=O)n(C)c1)CC2=O 587458693 BNWJGRVHDYWBCQ-DEOSSOPVSA-N 423.896 5.058 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1cccc(C(F)(F)F)c1)CC2=O 587464771 XZHONIRMVHFHJX-NRFANRHFSA-N 415.411 5.861 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cn(C(=O)OC(C)(C)C)c3ccccc13)CC2=O 587474099 BACUGMGMOANACR-QFIPXVFZSA-N 421.493 5.789 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)CC2=O 587482486 UCTMBZHVZBGTPT-RUZDIDTESA-N 402.490 5.939 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-c3ccc(C(=O)O)cc3)c1)CC2=O 587489733 ORISHEBLFMBWIO-SANMLTNESA-N 416.473 5.591 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccccc3[S@](C)=O)cc1)CC2=O 587494384 WZMWJCVGUPQEQG-JHOBJCJYSA-N 420.530 5.456 0 1 HKAF COC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587504784 GCTWOHYODWKWCJ-JOCHJYFZSA-N 418.411 5.008 0 1 HKAF CN(C)/C=C/[C@@]1(c2ccc(C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510900 HTIPDWTXSUYRDF-HPEPBICTSA-N 403.566 5.799 0 1 HKAF COc1cc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 587543547 KTMTYYIHUDVOCT-RXVVDRJESA-N 417.244 5.411 0 1 HKAF CCOc1ccc(C(C)C)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594359 GYOUFRXHANNLIW-DHLKQENFSA-N 404.462 5.617 0 1 HKAF Cc1c(C)c(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1C 587604343 VMEQOLXVNGRZQQ-BVAGGSTKSA-N 402.490 5.811 0 1 HKAF C[C@@]1(c2ccc(-c3cccs3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611280 HUMMSNMBGQQNNB-DHLKQENFSA-N 414.482 5.998 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccs2)s1 587611315 HWIOWFPFEYLDGO-UGKGYDQZSA-N 406.484 5.885 0 1 HKAF Cc1cc(C)c(NC(=O)c2c(-c3ccccc3)[nH]c3c(C)cc(Cl)cc23)c(Cl)c1 587624168 ZBITYKPVZOYMLJ-UHFFFAOYSA-N 423.343 7.319 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(C(=O)C(=O)OC)c2c1 587641248 LTKQODCRTKGKLU-LLVKDONJSA-N 404.293 6.011 0 1 HKAF CCCn1c(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc2ccccc21 587657400 VRSVBXXHMAWWKW-UHFFFAOYSA-N 416.431 5.091 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(Cl)o2)N1 587680219 OIJAZDLJQSYKSG-IYQDAUBNSA-N 423.507 5.221 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)[nH]c3ccc(Cl)cc23)N1 587694969 HUBXRKWFTNQJKW-RBHXEPJQSA-N 409.686 5.052 0 1 HKAF COc1ccc(C(F)(F)F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587712049 NEKFVUHGRQTSBK-VVVCHXIZSA-N 418.228 5.239 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3oc4ccccc4c3c2)N1 587833775 OWJVPRQYHXKBKW-VERVWZFWSA-N 410.286 6.111 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1cccc(OC)c1 587866957 NUXDQOTZNZHANL-UHFFFAOYSA-N 421.444 5.221 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3ccc(Cl)cc3)n2)cc1 587923658 ZZNZJRFDLRWOAQ-UHFFFAOYSA-N 404.897 7.418 0 1 HKAF COc1ccc(-c2cccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2)cc1 587936192 SYWUCMILVAQAMH-UHFFFAOYSA-N 414.690 5.716 0 1 HKAF FC(F)(F)Sc1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 587949890 MGSJCRAGNAABAK-JLHYYAGUSA-N 412.436 7.138 0 1 HKAF Cc1ccccc1-c1ccc(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 587958709 GKWOKDCFNPZGMO-UHFFFAOYSA-N 421.504 5.188 0 1 HKAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(C)CCc1ccco1 963914574 HXFPYBNPWCWUNH-KOSHJBKYSA-N 413.514 5.073 0 1 HKAF Cc1cc(-c2ncc(CNC(=O)c3ccc4c(c3)[nH]c3ccccc34)cc2C)ccn1 1772608708 YCNUTJIIMNYSHI-UHFFFAOYSA-N 406.489 5.325 0 1 HKAF C[C@@H](c1cc2cccnc2cc1F)n1cnc2ncc(-c3cnc4ccccc4c3)nc21 1857608085 OOFBFLMNYYNTSA-HNNXBMFYSA-N 420.451 5.338 0 1 HKAF O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2[C@H]1c1ccncc1 1857611697 RFTDOKATMJAJBE-GOSISDBHSA-N 404.322 5.630 0 1 HKAF Oc1cccc(-c2cc(-c3ccccc3C(F)(F)F)nc3c2Cc2c(O)cccc2-3)c1 1857613263 WWCCXFJFEGIRRY-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF CC(C)CC[C@@H]1C[C@H](Cc2ccc(O)cc2)C[C@@H]([C@@]23CC[C@@H]([C@H](N)C2)C(C)(C)O3)C1 2356369986 KHUUTQFLJGKBMD-MADYKCKLSA-N 413.646 6.078 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@H](C)[C@H]21)C(C)C 2356525166 VAXPLJSKWWBBMD-ASBYECNJSA-N 410.686 7.865 0 1 HKAF CO[C@@H]1C[C@]2(C)[C@H](CC[C@@H]2[C@H](C)C=C[C@@H](C)C(C)C)c2cc3c(c(C)c21)C[C@H](O)CC3 2356602928 QATMLMHKOKQDMW-SYVYYPTKSA-N 424.669 6.920 0 1 HKAF C[C@@H]1CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@]3(C)[C@@H]2[C@@H]1C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC4 2356735320 NUTMCXRUCDWJCU-LIQMGBRSSA-N 424.713 8.377 0 1 HKAF COc1ccccc1CNc1nc(NCc2ccc(C(C)C)cc2)c2sccc2n1 61897863 YXGBAYGREBAMMP-UHFFFAOYSA-N 418.566 6.048 0 3 HKAF COc1ccccc1-c1cc2c(Nc3cc(OC)c(OC)c(OC)c3)nccc2n1C 206023403 RNBBHKNPXCWEIG-UHFFFAOYSA-N 419.481 5.018 0 3 HKAF COc1ccccc1CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 773767 WCQTXGNJHLSFCU-UHFFFAOYSA-N 408.454 5.148 0 1 HKAF Cc1cc(C)cc([C@@H](O)/C=C2\C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 1483085 OZBJHOWASPNNLC-RQKDMPGASA-N 423.600 6.190 0 1 HKAF Brc1ccc(C2=NCSC(c3ccc(Br)cc3)=N2)cc1 1865062 DLQHMKCVDXGSBN-UHFFFAOYSA-N 410.134 5.109 0 1 HKAF COc1cc(O)cc2c1C(=O)O[C@@H]2CCCCC[C@H]1CCC[C@@]2(CC[C@@H](C)O2)O1 5037492 CZIMFHQXGMXDMO-KTASIVBBSA-N 404.503 5.027 0 1 HKAF COc1cc2c(cc1CC=C(C)C)C[C@H](c1ccc(O)c(CC=C(C)C)c1O)CO2 13515382 MVAUGMLUJKTORM-FQEVSTJZSA-N 408.538 5.843 0 1 HKAF biogenic Cc1c(CCN2CCN(c3ccc(F)c(Cl)c3)CC2)c2cccc3c2n1CCC3 13740401 KHFQFCCAORBSOY-UHFFFAOYSA-N 411.952 5.053 0 1 HKAF COc1cc(O)ccc1[C@H]1COc2c(cc(CC=C(C)C)c(O)c2CC=C(C)C)C1=O 14780908 YECSENDGXURKQA-JOCHJYFZSA-N 422.521 5.483 0 1 HKAF biogenic O=c1[nH]c2ccc(-c3cn[nH]c3)cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1 16052153 JRWKQEATLFJZFB-UHFFFAOYSA-N 423.520 5.052 0 1 HKAF in-vitro CCn1c([C@H](c2ccc(F)cc2)n2ccnc2)c(C)c2cc(Br)ccc21 26990484 AGDFPJBCGAJMIS-NRFANRHFSA-N 412.306 5.705 0 1 HKAF C(=C/c1ccc(-c2nnc(CSCCOc3ccccc3)o2)cc1)\CN1CCCC1 33970040 AOVYQQZRAIMKCT-VOTSOKGWSA-N 421.566 5.158 0 1 HKAF CCOC(=O)c1c(Cc2cccc(Cl)c2)n(C)c2c1cc(OC)c1ccccc12 40939924 LVKZHMGHJZOUMG-UHFFFAOYSA-N 407.897 5.761 0 1 HKAF Cc1cccc(-c2ccc3c(c2)[C@@H](N2CCN(C)CC2)Cc2ccccc2S3)c1 64549308 JXSJIGMUFKVXOT-DEOSSOPVSA-N 400.591 5.658 0 1 HKAF O=C(O)[C@@H]1CCCN(CC/C=C(\c2ccccc2)c2ccccc2-c2ccccc2)C1 66252447 JFNVGFNLJVOLOO-PSQINSSGSA-N 411.545 5.972 0 1 HKAF COc1ccc(CNCCCCCCCCCCNCc2ccc(OC)cc2)cc1 73197240 JHTLYWAAMGETQR-UHFFFAOYSA-N 412.618 5.704 0 1 HKAF CC(C)[C@@H](C(=O)Nc1ccc(Cl)cc1)n1c(-c2cscn2)nc2ccccc21 73390719 QQXXELPSJGSUQI-IBGZPJMESA-N 410.930 5.649 0 1 HKAF CC(=O)N[C@H]1CC2(CCN(Cc3ccc4[nH]c5ccccc5c4c3)CC2)c2ccccc21 82158186 FYCCIHGGLTVNRX-MHZLTWQESA-N 423.560 5.436 0 1 HKAF CCCOCCCNc1ncc(-c2nc3ccccc3s2)c(-c2cccc(C)c2)n1 82167367 SFFRZLLQCSXBGA-UHFFFAOYSA-N 418.566 5.957 0 1 HKAF Cc1cccc(-c2nc(NCCc3cccc(F)c3)ncc2-c2nc(C)c(C)s2)c1 82173647 SDTQVMZGIJKNTQ-UHFFFAOYSA-N 418.541 5.986 0 1 HKAF O=C(O)C[C@H]1O[C@@H](c2cccc3ccccc23)c2cc(Cl)ccc2-n2cccc21 84687293 IOMUUHMNPYQWQL-VWNXMTODSA-N 403.865 5.919 0 1 HKAF CCN(CC)c1cccc2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12 84759435 IKSISVAMLLOCTM-UHFFFAOYSA-N 410.514 5.345 0 1 HKAF CNC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccccc4C(F)(F)F)cc3)nc2c1 95592325 PERQSZLJZDKEKN-UHFFFAOYSA-N 411.383 5.401 0 1 HKAF O=C(Nc1cccc(Br)c1)Nc1cc(C2CC2)nn1Cc1ccccc1 96273836 ARUYFYQYUODUCQ-UHFFFAOYSA-N 411.303 5.215 0 1 HKAF Cc1ccc2nc(-c3ccccc3N3C(=O)CS[C@H]3c3ccc(F)cc3)[nH]c2c1 103208333 FTTWNTQABKNCMZ-QHCPKHFHSA-N 403.482 5.456 0 1 HKAF CCC[C@@H](C(=O)O)c1c(C)nc2scc(-c3ccccc3)c2c1-c1ccc(C)cc1 113123200 KUDSZJCXXQNXHD-HXUWFJFHSA-N 415.558 7.215 0 1 HKAF Cc1ccc(C(=O)NC2CCCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 144307924 FAVNHLBBUNRLAL-UHFFFAOYSA-N 413.521 5.231 0 1 HKAF O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4cccc(F)c4F)c(F)c3F)nc12 144715409 SKYZMWVJZWEORM-UHFFFAOYSA-N 422.284 5.430 0 1 HKAF Cc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@H]32)cc1 195386331 OHYAUCCFBSIOPM-YIKNKFAXSA-N 417.577 7.725 0 1 HKAF O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(CNCc2ccccc2)c1 205319554 MUAXQEFVOPWIIF-UHFFFAOYSA-N 417.940 5.084 0 1 HKAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC[C@@H]12 238758736 NIALLGCBSYYMNQ-VLPBYGPUSA-N 410.730 9.198 0 1 HKAF CC1=CCC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)CC(=O)CC(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13 255242610 NBJPOFFBRCYVQR-FMHKIVQDSA-N 410.686 7.987 0 1 HKAF O=C(Nc1ccc(F)cc1)c1ccc(SCC(=O)c2cc3ccccc3s2)nc1 261149888 OPSZNIDHBDNDLA-UHFFFAOYSA-N 422.506 5.663 0 1 HKAF Cc1cc(N2CCC(NC(=S)Nc3ccc(Cl)cc3)CC2)c2ccccc2n1 299871575 YRQAXTCFZYJYSG-UHFFFAOYSA-N 410.974 5.152 0 1 HKAF CC[C@H](C)NC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccccc1F 299887581 ZCUHJOCIFKATHC-RPCPWPBFSA-N 424.564 5.294 0 1 HKAF COc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccc(Cl)cc3[nH]2)cc1 473117337 YSBGQQXIKPZERN-UHFFFAOYSA-N 400.869 5.745 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1 586878847 KDLOGLQDTSIMBO-UHFFFAOYSA-N 408.255 5.061 0 1 HKAF CC(C)(C)c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586984038 BTOCETHJCNLLLK-FQEVSTJZSA-N 412.375 5.808 0 1 HKAF Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1Br 586985401 WBGYSTKKQAPYQJ-UHFFFAOYSA-N 416.274 5.890 0 1 HKAF CC(C)(C)c1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1 586999687 GTNNVYPMHTVURV-UHFFFAOYSA-N 413.271 5.102 0 1 HKAF Clc1c(Br)cnc2[nH]c(-c3ccccc3OCc3cscn3)nc12 587029153 IXATYISQOSNIOX-UHFFFAOYSA-N 421.707 5.076 0 1 HKAF Cc1cnc(Cl)c2[nH]c([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc12 587068446 ADWJHYBNXSVZLU-YQAQADKJSA-N 406.744 6.593 0 1 HKAF Fc1cc(CCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc(F)c1F 587138014 BPXSCBCPINQDHH-UHFFFAOYSA-N 423.154 5.547 0 1 HKAF Fc1ccc(-c2ccccc2-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1F 587145107 HSOCYJYZXDAIAQ-UHFFFAOYSA-N 414.480 7.326 0 1 HKAF COc1ccc(C(=O)c2ccccc2-c2nc3cccc(C(F)(F)F)c3[nH]2)cc1F 587145346 WYXYQQRORMIIAC-UHFFFAOYSA-N 414.358 5.627 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@H]4C[C@@H]4c4cccc(F)c4F)[nH]c3c2)cc1 587153004 UQOGUUNCYOESBE-MSOLQXFVSA-N 420.415 5.691 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)c1 587159491 PGEVWKGCVHOESE-UHFFFAOYSA-N 401.363 5.382 0 1 HKAF Cc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1Cl 587172063 YDIPKFRMNGDTHR-UHFFFAOYSA-N 415.877 5.132 0 1 HKAF CC(C)[C@H](c1nc2cc(Br)c(F)cc2[nH]1)N(C)C(=O)OC(C)(C)C 587197751 MFKDLGIMRHSOEK-CQSZACIVSA-N 400.292 5.029 0 1 HKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(C)c(Br)cc3[nH]2)c1 587238442 JFKARIFEJLUTOS-UHFFFAOYSA-N 421.342 6.243 0 1 HKAF O=C1c2ccc(O)cc2O[C@](C[C@@H]2CCOC2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 587358820 QMYQRJXSQLRSEK-BQVXCWBNSA-N 418.464 5.212 0 1 HKAF COc1cccc(-c2c(C(C)C)c([C@H]3CCCNC3)nc3c2oc2ccccc23)c1 587361997 CBBDDZMGONFXGC-SFHVURJKSA-N 400.522 6.247 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(F)ccc1Oc1ccc(F)cc1F)[C@@H](C2)C3=O 587427237 RFWMTIVINQMPDG-HJPURHCSSA-N 412.363 5.394 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccccc3)c(Cl)c1)CC2=O 587462224 NTKZPVILYBCRIB-DEOSSOPVSA-N 422.908 6.284 0 1 HKAF O=C(O)Cc1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 587529142 JLHPJEJFILTXRB-VWLOTQADSA-N 412.485 5.566 0 1 HKAF O=C1C[C@H](c2ccc(-c3nc4ccccc4s3)o2)Oc2c1ccc1c2CCCC1 587535594 MMTDPMCGYGJMNX-OAQYLSRUSA-N 401.487 6.142 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cccc(Cl)c1 587550579 XSEZAMVCAZNCCD-ZJSXRUAMSA-N 417.848 5.539 0 1 HKAF Cc1cc2cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)oc2cc1C 587619423 XSBRRHLBDSOWLK-WIOPSUGQSA-N 400.430 5.632 0 1 HKAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cc1ccc(OC(F)F)cc1 587622308 JANVMAZSPREOTD-UHFFFAOYSA-N 406.230 5.307 0 1 HKAF Cc1ccc2sc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nc2c1C 587661730 SKAWJEVFLUTLLB-UHFFFAOYSA-N 401.466 5.418 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]2c2ccc(Cl)cc2)N1 587697061 LGQSAAISOXWRSH-ADYAMRHXSA-N 408.742 5.939 0 1 HKAF Cc1ccc(C(F)(F)F)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587710953 IBHAIMFLNDRRMN-QGHHPUGFSA-N 402.229 5.539 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(F)(F)F)ccc2F)N1 587713280 SICWHKZZRVOXOZ-XYZCENFISA-N 420.219 5.544 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2OC(F)(F)F)N1 587720407 NOEBQQFUROKSJR-VPTHRUTESA-N 422.191 5.250 0 1 HKAF CC(=O)c1cccc(CC[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F 587730774 YAGNGUGOATUGSQ-DIFFPNOSSA-N 408.286 5.138 0 1 HKAF CCC[C@H](CC1(c2nc3ccc(OC)nc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782340 SLIUISOLWPTPGL-LJQANCHMSA-N 421.541 5.328 0 1 HKAF COc1ccc(C)c2c1CCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587804807 BWGSXBCZEXACHF-LRTDBIEQSA-N 404.323 5.019 0 1 HKAF COc1cc2ccccc2cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587812539 ZXPHJMCRUCAVLB-XUSGNXJCSA-N 400.291 5.374 0 1 HKAF CCc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)oc2ccccc12 587825904 BRXWMESFJVMQDV-LAJNKCICSA-N 402.307 5.695 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(O)c3)cc2)N1 587833682 OWTPZTSXLFARHW-DMZKTXOQSA-N 412.302 5.584 0 1 HKAF Cc1sc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587844721 OVLJAUFCMZCHST-NZFNHWASSA-N 419.157 5.344 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CSc2ccc(Cl)cc2)N1 587848847 YIBWIZAJMGBYFY-ZMZPIMSZSA-N 414.771 5.783 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCCS2)N[C@H](C)Cc2ccc(F)c(Br)c21 587854310 DGJUQUGBQKBGDG-MPBGBICISA-N 422.363 5.261 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3ccccc3)n2)N1 587854354 TUBQZVPRXCIZMM-ADLMAVQZSA-N 403.320 5.335 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3sc4ccccc4c32)N1 587855004 FDGBWXYRICCEJC-PRWKNARSSA-N 402.332 5.527 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1sc(CC)nc1C 587861929 YLFDZYUXMJJDHG-UHFFFAOYSA-N 410.326 5.271 0 1 HKAF CC(C)COc1cc2nc(/C=C\c3cccc4ccccc34)[nH]c2cc1Br 587970084 YMUAQNCUWLWFFD-KHPPLWFESA-N 421.338 6.684 0 1 HKAF O=Cc1cc2cc([C@H]3NC4(CC4)Cc4ccc(Br)cc43)sc2s1 961321465 JXKMMGBOENZOQR-INIZCTEOSA-N 404.354 5.306 0 1 HKAF CCCOc1c(Cl)cc([C@H]2N[C@@H](CC)Cc3c2[nH]c2ccccc32)cc1OCC 962951550 OETNIOVVYJCOGI-KSFYIVLOSA-N 412.961 6.023 0 1 HKAF O=C(O)CCC[C@]1(c2cc(Cl)ccc2Cl)c2ccc(F)cc2C[C@H]2CCCN21 963119893 ZXHSSUQRDUUYKQ-VGOFRKELSA-N 422.327 5.652 0 1 HKAF CCc1ccncc1C1=CC=C2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 1772580247 PLFUPMOBZMILPF-RUFPXSEBSA-N 419.609 6.532 0 1 HKAF Cc1cc(-c2nc(-c3ccc(C(F)(F)F)c(Cl)c3)n3c2CCO[C@H](C)C3)ccn1 1772647926 IRSGNBUWVIPUQY-CYBMUJFWSA-N 421.850 5.554 0 1 HKAF C[C@H](CCC=C1CC1)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H](O)CC[C@]45C[C@@]35CC[C@]12C 1857571434 JPBYBCDJWOLHTR-VRYZJHSESA-N 424.713 7.923 0 1 HKAF Cc1ccccc1-c1ccc([C@H](C)Nc2cncc(N3C(=O)OC[C@@H]3C(C)C)n2)cc1 1857640159 NKZNQPBEWJAEDX-PGRDOPGGSA-N 416.525 5.606 0 1 HKAF COc1ccc(-n2nc(-c3ccc(F)cc3)cc2-c2ccc3cc(F)ccc3n2)cc1 1857744384 GLHDQQTWBPTUPX-UHFFFAOYSA-N 413.427 6.041 0 1 HKAF FC(F)(F)c1ccc(Nc2cc3nc(-c4cccc(C(F)(F)F)c4)[nH]c3cn2)nc1 1857754054 CSUOUURLRPOEQX-UHFFFAOYSA-N 423.320 5.801 0 1 HKAF C[C@H]1CN=C(C(=O)[C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)C1 2356534122 HIBLNBRXFIYJIP-VOPYDXRBSA-N 411.630 5.612 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4[C@H](C)[C@H](O)CC[C@@]4(C)C3=CC[C@]12C)C(C)C 2356598732 ZGEARXVVLFISLP-FMIPGPMVSA-N 424.713 7.967 0 1 HKAF CCCC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356636196 ZEGSJVGZMVJHKF-AYWVRNHKSA-N 400.691 7.613 0 1 HKAF CC[C@H](C)CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]12C 2356658186 JBMWFOFITHEFEY-FRGXQRQMSA-N 404.635 6.462 0 1 HKAF C[C@@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@H]2C(=CC=C3C[C@@H](O)CC[C@H]3C)CCC[C@]21C 2356693253 DQKNOQRSTKDKAN-YQMZXRPNSA-N 418.662 5.785 0 1 HKAF CC(=CCn1c[n+](C)c2ncnc(N)c21)CC[C@]1(C)[C@H](C)CC[C@]2(C)C(C)=CCC[C@@H]21 2356871632 YCSGSEAQYPDNAQ-FJIJVGMHSA-N 422.641 5.363 0 1 HKAF C[C@@H](Oc1cccc(CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1)C(=O)O 13727372 XXTNGXSCOISCTE-GOSISDBHSA-N 413.473 5.646 0 1 HKAF O=C(O)COc1cccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 13727402 VEVDHDZQGJLYIU-UHFFFAOYSA-N 417.486 5.764 0 1 HKAF COc1ccc2c(c1)[C@@H](CCCCN1CCN(c3ccccc3OC)CC1)CCC2 13740678 OKYMMNZLKVUQRW-NRFANRHFSA-N 408.586 5.116 0 1 HKAF C/C(=C\CCc1ccoc1)CC/C=C(\C)CC[C@@H]1O[C@@]1(C)CC/C=C(\C)C(=O)O 15222666 YQEFIUHWMIOLQP-YRYQKZBRSA-N 400.559 6.634 0 1 HKAF COc1cccc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 27546729 TXDIYPDUXRZWER-NSOVKSMOSA-N 413.561 5.507 0 1 HKAF C[C@@H](CO[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O)c1ccccc1 27558468 UBLWJPGPEJEPCL-UPCLLVRISA-N 404.897 5.276 0 1 HKAF C[C@@H](Oc1ccc2c(c1)OC[C@H](Cc1ccccn1)[C@@H]2O)c1ccc2ccccc2n1 27992448 PCOADGWBOALVHJ-LGRWACDXSA-N 412.489 5.055 0 1 HKAF COc1ccc2c(c1)N(CC1CC1)C(=O)C21CCN(CC2CCCCCCC2)CC1 28528118 VPULAKGHRZPYSW-UHFFFAOYSA-N 410.602 5.146 0 1 HKAF Cc1cccc(C(=O)c2cccc([C@H](C)CN3CCCC[C@@H]3CC3CCCCC3)c2)c1 29411866 REXHJAHFEIMMEL-QDPGVEIFSA-N 417.637 7.154 0 1 HKAF Fc1ccc(C(CCCN2CCc3c([nH]c4ccccc34)C2)c2ccc(F)cc2)cc1 36093021 LCERGTRVKSJRQA-UHFFFAOYSA-N 416.515 6.417 0 1 HKAF CC1(C)CCC[C@@]2(C)Oc3c(c(O)cc4oc(-c5ccc(O)c(O)c5)cc(=O)c34)C[C@H]12 43079330 AWGPELCDBUFEAW-PXDATVDWSA-N 422.477 5.097 0 1 HKAF biogenic FC(F)(F)c1ccc(/C=C/c2ccc(/C=C/c3ccc(C(F)(F)F)cc3)cc2)cc1 43587386 ZBBFSQVDLHSTSL-KQQUZDAGSA-N 418.380 8.065 0 1 HKAF Cc1[nH]c2ccccc2c1C1=CCN(CCCC[C@@]2(C)C(=O)Nc3ccccc32)CC1 45302472 UMQRGWGTRZAPIR-HHHXNRCGSA-N 413.565 5.646 0 1 HKAF CCC[C@@H](C)COc1ccc([C@H](CNCC2CC2)NC(=O)[C@@H](C)c2ccccc2)cc1 72316080 OMFQRVFJZWGTDS-SWYRRKHMSA-N 422.613 5.462 0 1 HKAF Cc1oc(-c2cnc(N3CCC(C)CC3)nc2-c2ccccc2)nc1-c1ccccc1 82163056 NRRKJFBGDMPUND-UHFFFAOYSA-N 410.521 6.010 0 1 HKAF CC[C@H](C)Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc(C)c2)n1 82173715 RLWXZPXSBRAKDL-KRWDZBQOSA-N 400.551 6.453 0 1 HKAF CCCCCn1c(-c2ccccc2)nc2c(NCCc3ccccc3F)ncnc21 82180562 NCEDYHKDSBLRAK-UHFFFAOYSA-N 403.505 5.477 0 1 HKAF CCCCCc1nc(-c2cnc(NCc3ccc(C)cc3)nc2-c2ccco2)oc1C 82219735 FXGOLPXSZGYGGK-UHFFFAOYSA-N 416.525 6.353 0 1 HKAF CC(C)[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 95577401 XQKBDYNRBLDKBE-HSZRJFAPSA-N 419.009 5.157 0 1 HKAF COc1ccccc1N1CCN(Cc2cn(-c3ccccc3C)c3ccccc23)CC1 103266307 HIKSTJROWUEDIM-UHFFFAOYSA-N 411.549 5.270 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@H]1C[C@H]3N 118919854 MUNYFYVFFYKFPN-HKCRGBGDSA-N 403.695 6.406 0 1 HKAF CC(C)[C@@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)[C@H]1C 137556147 YQSCMUYRADBXNP-YMVKUEQYSA-N 414.718 7.571 0 1 HKAF O=C(Nc1ccc(C2=CCN(C(=O)c3ccccc3)CC2)cc1)N1Cc2ccccc2C1 166454590 PSTGFUAJRVBSAV-UHFFFAOYSA-N 423.516 5.164 0 1 HKAF CCO[C@H]1C[C@@H](c2coc3cc(Cl)c(Cl)cc3c2=O)N(c2ccccc2)O1 169327141 KUROIPXNJCPGOW-PKOBYXMFSA-N 406.265 5.345 0 1 HKAF CCCCNC[C@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1 169336017 BKCGZSBRHVTDCB-INIZCTEOSA-N 406.370 5.209 0 1 HKAF Cc1ccccc1[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NN1c1nc(O)cs1 169728200 LRXZJUBFPONUOY-KRWDZBQOSA-N 404.322 5.820 0 1 HKAF CCc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2cccc(OC)c2n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c1ccc2c3c(cc(-c4ccc(O)cc4Br)nc13)-c1ccccc1C2=O 586992504 CERWZCKTHNQMQE-UHFFFAOYSA-N 416.274 5.890 0 1 HKAF COc1cc(/C=C\c2nc3cc(Cl)cc(C)c3[nH]2)cc(Cl)c1OCC(C)C 587047404 WIJDTHBXQYQEEX-WAYWQWQTSA-N 405.325 6.392 0 1 HKAF N[C@H](N=O)c1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587069652 LWHFKAUCKOELQW-MMYRTMNYSA-N 416.912 6.113 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587074473 VUIARQRFCXSQBJ-UHFFFAOYSA-N 424.931 7.438 0 1 HKAF Clc1ccc(C2=C[C@@H](c3nc4cccc(OCc5ccccc5)c4[nH]3)ON2)cc1 587076645 NESYKIJNXRCEGW-NRFANRHFSA-N 403.869 5.412 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc2c1 587095068 OVUZYZBUWKQJOB-UHFFFAOYSA-N 422.712 5.708 0 1 HKAF Cc1nc2cccc3c2c(c1Cc1ccc(OC(F)F)cc1)-c1ccccc1C3=O 587102704 DKYZLHKRNREAQR-UHFFFAOYSA-N 401.412 5.947 0 1 HKAF Oc1cccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 587113105 YDHMLINYDHPWLF-UHFFFAOYSA-N 422.328 6.640 0 1 HKAF Fc1ccc(F)c(SCc2cccc(-c3nc4cc(Cl)c(F)cc4[nH]3)c2)c1 587141389 QBEGOZDBECOPJA-UHFFFAOYSA-N 404.844 6.593 0 1 HKAF Fc1ccc(-c2cnn(Cc3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c2)cc1 587165214 MVYVAALPJGLAOS-UHFFFAOYSA-N 410.758 5.166 0 1 HKAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@@H]4[C@H]3CC[C@]12C)CC7 587215595 QWEUOLMDHXZXKI-MCNRLBGESA-N 411.589 6.331 0 1 HKAF O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)c1coc2ccccc12 587280815 BRJOKKJOWYHWSM-UHFFFAOYSA-N 418.396 5.867 0 1 HKAF COc1cccc(-c2c(C)c(-c3cccc(Cl)c3F)nc3c2oc2ccccc23)c1 587360217 LZIQHEYVYGKNAK-UHFFFAOYSA-N 417.867 7.425 0 1 HKAF COc1cccc(-c2cc(CC34CC5CC(CC(C5)C3)C4)nc3c2oc2ccccc23)c1 587364544 DJUUEDWVPNCWCQ-UHFFFAOYSA-N 423.556 7.416 0 1 HKAF C[C@@]1(Cc2nc3ccccc3s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587374095 OBSISMGGBCCFEE-UPVQGACJSA-N 419.477 5.501 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(C)cc(CN4CCC(C)CC4)c1C)[C@@H](C2)C3=O 587437506 JBEHKMODMWIJPT-NVQXNPDNSA-N 405.538 5.033 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(C)cc4C)[nH]c4ccccc14)[C@@H](C2)C3=O 587438791 QYBOYCJYYQSTND-CCLHPLFOSA-N 409.485 5.949 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1nc(-c4ccc(Cl)cc4Cl)cs1)[C@@H](C2)C3=O 587448981 CWJSKGKDKFEFPQ-ORAYPTAESA-N 418.301 5.614 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)c(Cl)c1F)CC2=O 587466963 RKADIZQOARSKAS-HNNXBMFYSA-N 413.670 5.606 0 1 HKAF C[C@]1(c2cc(Br)c(Cl)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587503511 HHEITKCBNWNNQZ-HXUWFJFHSA-N 423.709 6.001 0 1 HKAF O=C1C[C@@](c2ccccc2)(c2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587508748 QLDWJUMVNIHTQL-RUZDIDTESA-N 422.446 6.493 0 1 HKAF O=C1C[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)Oc2c1ccc1c2CCCC1 587509707 WHCXDXFAHBJLAX-XMMPIXPASA-N 423.339 7.246 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2Cl)o1 587546790 KPUXTJMDWXJRCV-XUZZJYLKSA-N 418.832 6.009 0 1 HKAF C[C@@]1(c2ccc(F)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573142 XYPQSBQEHDHYLV-RDGATRHJSA-N 400.405 5.562 0 1 HKAF CC(C)COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587593114 CIQKNAMVFIVHBT-RCZVLFRGSA-N 404.462 5.304 0 1 HKAF CC(C)(C)OC(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587594894 LXXHNCNYGPEOPU-NFBKMPQASA-N 418.445 5.050 0 1 HKAF CC(C)Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1cccc(Cl)c1 587621635 GBTQMPZCMLMRSK-UHFFFAOYSA-N 402.723 6.326 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3ccccc3Cl)c2)N1 587693061 CGRLIEPQWOPYNP-NSPYISDASA-N 420.713 5.051 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cccnc2Cl)N1 587707211 UUHNGHFWSAQZPK-VOJFVSQTSA-N 420.713 5.051 0 1 HKAF CC[C@]1(c2cc(F)c(F)c(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587721461 VVUXPWDAGOEBNW-NIVTXAMTSA-N 402.229 5.193 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(C2CCCCC2)N1 587817652 DGILRFITYNFVGD-QMHKHESXSA-N 416.378 6.141 0 1 HKAF Cc1ccc([C@]2(c3ccco3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587831468 XCWWKELCRUEGLK-SZNDQCEHSA-N 400.291 5.316 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)s2)N1 587847613 LTAWQDWYKAXDLY-ANRSDYALSA-N 419.157 5.210 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCCS2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587854308 DGJUQUGBQKBGDG-FKIZINRSSA-N 422.363 5.261 0 1 HKAF COc1ccc2nc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)c(C)cc2c1 587862774 IQLRHSVJGSJPMI-UHFFFAOYSA-N 413.399 5.432 0 1 HKAF O=C(c1cc2ccc(C(F)(F)F)cc2s1)n1nc2cc1Oc1ccc(F)cc1-2 587873444 BSDKMCLIZDIRFD-UHFFFAOYSA-N 404.344 5.717 0 1 HKAF COc1cc(OC)cc([C@@H]2C(=O)c3cc(OC)cc(OC)c3[C@H]2Cc2ccccc2)c1 653725563 KDCDIODFXRXTOP-URXFXBBRSA-N 418.489 5.027 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1ccc(-c2ccc(F)cc2)s1 962401140 VNRCUDDTYPXUNL-HSZRJFAPSA-N 408.567 6.102 0 1 HKAF CCCCOc1ccc(Cl)cc1[C@@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962710816 OWPZONIJIWRZSW-SBUREZEXSA-N 419.993 6.111 0 1 HKAF Cc1nn(CC(C)C)c(Cl)c1[C@@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962711811 PXBSROUDVPNUMO-QRWLVFNGSA-N 407.986 5.093 0 1 HKAF COc1ccc([C@H]2NCCc3c(Cl)cc(Cl)cc32)cc1COCC(F)(F)F 963103770 GOYNUNHAILNFTB-GOSISDBHSA-N 420.258 5.316 0 1 HKAF O=C(CCSc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1)Nc1cccc(F)c1 1857604012 JJNLYQPHVVNLNS-JXMROGBWSA-N 418.497 5.388 0 1 HKAF CCCC/C=C\CCCCCCCCCCC[C@@H]1C[C@]2(O)CC(=O)C[C@H](O1)[C@@H]2O 1911575508 UZNVXRJBFGHCJB-YNRZCLIZSA-N 408.623 5.636 0 1 HKAF CO[C@@H]1OC(=O)C2=CC[C@@H]3[C@]4(C)CC[C@@H]5C(C)(C)CCC[C@]5(C)[C@@H]4C[C@H](O)[C@@]3(C)[C@H]21 2356412547 SZCOSHPHASAUBT-RNYBVCNRSA-N 416.602 5.098 0 1 HKAF CC(C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@]4(C)CC[C@H](C)[C@H](C)[C@H]4C3=CC[C@]21C 2356424700 SUEBFPVZWVXEBN-IOEFTLKWSA-N 408.714 8.830 0 1 HKAF COc1cc(O)c(C(=O)[C@@H]2[C@H](CC=C(C)C)C(C)=CC[C@@H]2c2ccccc2)c(OC)c1 2356495049 BYWWTSFMTOYXHJ-TZBSWOFLSA-N 420.549 6.315 0 1 HKAF COc1ccc(C(=O)N2CCC3(CC2)CN(c2cccc(-c4ccccc4)c2)C3)cc1 3956052 GJJYMXVGQLQMGJ-UHFFFAOYSA-N 412.533 5.105 0 1 HKAF COc1cc2c(c(OC)c1-c1c(C)cc3cccc(OC)c3c1O)C(C)=N[C@H](C)C2 13359347 CESMSNGGFQBVOV-CQSZACIVSA-N 405.494 5.300 0 1 HKAF biogenic C[C@H]1C(=O)c2c([nH]c3ccc(Cl)cc3c2=O)C[C@H]1c1ccc(C(F)(F)F)cc1 27098979 HSCRNHUFGOUESH-QMTHXVAHSA-N 405.803 5.359 0 1 HKAF CCOP(=O)(Cc1ccc(-c2nc3cc(OC(C)=O)ccc3s2)cc1)OCC 27893998 CUNDXRLJUMZIRS-UHFFFAOYSA-N 419.439 5.655 0 1 HKAF CCc1c(C(=O)c2ccc3ccccc3c2)nc(SCc2ccccc2)[nH]c1=O 28635501 YTKDOYBBXCCEIP-UHFFFAOYSA-N 400.503 5.009 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 28759021 QASMLJURBZXYNW-NKPOZYSOSA-N 401.679 6.928 0 1 HKAF CCN[C@H](c1ccc(Cl)cc1Cl)[C@H](NCC)c1ccc(Cl)cc1Cl 28764634 JGTMGWSWOOOIOX-QZTJIDSGSA-N 406.184 6.302 0 1 HKAF N=C(N)c1ccc2cc(-c3cccc(OCCCCCOc4ccccc4)c3)oc2c1 43069713 ZYCGKBXQNQEDQL-UHFFFAOYSA-N 414.505 6.012 0 1 HKAF O=C(O)Cc1sc(N(c2ccccc2)c2ccccc2)nc1-c1cccc(F)c1 49050324 WRTWKGBENCFREY-UHFFFAOYSA-N 404.466 6.046 0 1 HKAF O[C@H]1c2ccccc2CC[C@@]1(/C=C/c1ccccc1)Cc1ccc(OC(F)(F)F)cc1 71341998 WCTHZZPZOSCLLW-WTJIERMWSA-N 424.462 6.507 0 1 HKAF CCC[C@@H]1C(=O)NN=C(c2ccc3nc(-c4ccc(OC(C)C)cc4)oc3c2)[C@H]1C 72318302 CUTLGQBQNFPIHY-KXBFYZLASA-N 405.498 5.168 0 1 HKAF CCc1cnc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccccc2)s1 82162488 ABKOXBYJVXNOEC-UHFFFAOYSA-N 404.514 5.623 0 1 HKAF COc1ccc([C@H]2C(c3cc(OC)cc(OC)c3)=Cc3cc(OC)cc(OC)c32)cc1 95588864 MLKFXRVJCOPZRD-VWLOTQADSA-N 418.489 5.416 0 1 HKAF CCCCc1c(O)c2cccnc2n(-c2ccc(OCc3ccccc3)cc2)c1=O 102165233 MVMZNONKIWNPNT-UHFFFAOYSA-N 400.478 5.013 0 1 HKAF COc1ccc([C@@H](CC(=O)c2cc3ccccc3o2)Nc2ccc(C(=O)O)cc2)cc1 103175042 ZJWVEOGRBSEPNV-OAQYLSRUSA-N 415.445 5.566 0 1 HKAF CC1CCN(c2c(S(=O)(=O)c3cccc(Cl)c3)cnc3ccc(F)cc23)CC1 137667237 BGTMCWURLMBLQW-UHFFFAOYSA-N 418.921 5.096 0 1 HKAF COc1cccc(F)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2ncc(C)s2)c1 167822845 TZBWABYKEXBHRA-KUHUBIRLSA-N 410.514 5.376 0 1 HKAF Cc1cccc(C(=O)Nc2cccc(NC(=O)c3ccccc3OCC(C)C)c2)c1 169305447 DZKVDDUKLSQAQM-UHFFFAOYSA-N 402.494 5.534 0 1 HKAF CO[C@@H](c1ccc(C)cc1)c1cnn2c(-c3ccccc3)cc3c(Cl)cccc3c12 169327091 NCVAUPXBLJMLMS-SANMLTNESA-N 412.920 6.852 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCCC(=O)N1Cc1ccc2sc(C)nc2c1 215900654 LOZVYDSGHVOKPW-SFHVURJKSA-N 410.539 5.266 0 1 HKAF C[C@H]1C[C@H]1[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255195885 AOOVLQXWRHMRMX-CLCKHQHRSA-N 412.702 7.635 0 1 HKAF CCCCOc1cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2cc1Br 586885611 NBDKIBGPZWCLIM-AOMKIAJQSA-N 411.343 5.876 0 1 HKAF Cc1cc(C)c2nc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)[nH]c2c1 586983566 DPNSBVIWDYPHFT-UHFFFAOYSA-N 420.310 5.862 0 1 HKAF CCCCCCc1c(-c2ccc(N)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586986917 HOGZTOALNHTOCL-UHFFFAOYSA-N 422.528 6.524 0 1 HKAF CCCOc1cc2[nH]c(-c3cc4c(s3)CC[C@@H](C)C4)nc2cc1Br 587033210 HFYIYUWIMCBOHR-LLVKDONJSA-N 405.361 5.968 0 1 HKAF FC(F)(F)Oc1cc(Br)cc2nc([C@H]3Cc4ccccc4S3)[nH]c12 587042140 IJQCQKKZOXGUDL-CYBMUJFWSA-N 415.234 5.614 0 1 HKAF Fc1c(Br)ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 587062183 DQLPEQAHXMQBCY-UHFFFAOYSA-N 415.693 6.376 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cnc3ccccc3c2[nH]1 587072271 PZKSEDRXYKPBDF-SEZVEMCMSA-N 408.332 6.784 0 1 HKAF Cc1nccc2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc12 587074480 AUFIKPZZOIBSKP-SAPNQHFASA-N 422.919 6.622 0 1 HKAF C/C=C\COc1ccc(CCc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587107250 QWGLIMFQTAAOEY-IHWYPQMZSA-N 405.497 6.186 0 1 HKAF FC(F)(F)c1ccc(Oc2ccc(-c3nc4cc(-n5cnnn5)ccc4[nH]3)cc2)cc1 587112495 NIMKVGZDUZNDJO-UHFFFAOYSA-N 422.370 5.017 0 1 HKAF C[C@@H](c1nc2ccc3c(c2[nH]1)CCCC3)n1nc(C(F)F)c(Cl)c1C(F)F 587128148 GTMZMTYDQDJKBS-QMMMGPOBSA-N 400.807 5.776 0 1 HKAF N[C@H](N=O)c1ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 587157544 AGXBCPHZSQRAOY-WOJBJXKFSA-N 410.836 5.248 0 1 HKAF Cc1c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587166506 UWRNEXBEXUVPFJ-UHFFFAOYSA-N 405.420 6.295 0 1 HKAF CSc1ccc(C(=O)CCc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587208663 DGYXSEDQNPVSJI-UHFFFAOYSA-N 409.510 5.984 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(Sc3ccccc3)cc2[nH]1)C1CCCC1 587225496 LEDZTVFKXVGEGG-OAQYLSRUSA-N 423.582 6.470 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCSc3c(F)cccc32)[C@@H]1c1ccc(F)cc1 587335692 OMDNUOJURYVRJF-NFBKMPQASA-N 410.441 5.421 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCc1ccccc1Cl)(c1ccccc1)CC2=O 587462616 PRGPPCQPWHWEOL-AREMUKBSSA-N 420.936 6.492 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3ccc4ccccc4c3)nc1)CC2=O 587490953 QGQPDLBSAWOFPR-XMMPIXPASA-N 410.473 5.661 0 1 HKAF COc1ccc(Cl)cc1-n1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587499499 JTYCVKPOHCQQLW-HSZRJFAPSA-N 407.897 5.725 0 1 HKAF C[C@@]1(c2ccc(Oc3ccccc3F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500923 DZSSFLJUJVLPGJ-SANMLTNESA-N 402.465 6.377 0 1 HKAF CN(C)/C=C/[C@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587505812 LRXRGHYKOJXPDA-HRBBJJPOSA-N 416.348 5.808 0 1 HKAF CC(C)(C)c1ccc(N2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)cc1 587512808 FOYPAGYNFUVKEQ-UHFFFAOYSA-N 403.566 5.867 0 1 HKAF C[C@@]1(c2ccc(-c3cccc(C(=O)O)c3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587528526 AXZIXSOZEJNBOB-MHZLTWQESA-N 412.485 5.811 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cc(O)cc1Cl 587549279 ZFHIDBTZSGVDFS-XLIONFOSSA-N 403.217 5.108 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccc(Cl)c1F)C1CC1 587570332 VJLHNDMNUDXLPB-CVDCTZTESA-N 410.828 5.452 0 1 HKAF CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc12 587571843 MSGXAXYWGLDJJF-OZXSUGGESA-N 411.457 5.314 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1cccs1 587615603 XHQJRKDXCRKQDP-ZJSXRUAMSA-N 400.455 5.824 0 1 HKAF Cc1cc(C)c2sc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nc2c1 587662428 LEQOYEBKICKQER-UHFFFAOYSA-N 401.466 5.418 0 1 HKAF Cc1cc2c(cc1Cl)[C@]1(C=CO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587692671 BMFJOJPAMZOSBN-WYRIXSBYSA-N 408.698 5.234 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1cc(F)ccc12 587737303 YZODESOLWPBYDR-YTEVENLXSA-N 412.277 5.534 0 1 HKAF CCOc1ccc(OCC)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587799726 CENNHEUWJDOBMF-FKIZINRSSA-N 408.311 5.009 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccccc2)N1 587811715 OMDQWVVAWVMBAB-RCDICMHDSA-N 412.302 6.004 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3cccc(C(=O)O)c23)N1 587827727 QESLEMUYELLNSK-BIBXISHDSA-N 414.274 5.063 0 1 HKAF Cc1ccc(-c2nc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cs2)cc1 587849538 AOLOITYEXVWADB-CWTRNNRKSA-N 417.347 5.644 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc(C=O)sc3s2)N1 587856492 IEKCKDULKOJKDN-VPTHRUTESA-N 410.333 5.301 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C)c(CC)s1 587866534 FYJARDCMOYYRCY-UHFFFAOYSA-N 408.445 5.588 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1cccc(C(F)(F)F)c1 587871410 VYQRMLFKTSHBRI-CYBMUJFWSA-N 422.378 5.214 0 1 HKAF CC1(C)CCC(C)(C)c2cc(C3(c4ccc(/C=C/C(=O)O)cc4)OCCO3)ccc21 653721455 DFTYJVMZQNRUIU-KPKJPENVSA-N 406.522 5.381 0 1 HKAF CCCCCCOc1ccc([C@]2(CCCCC(=O)O)NCCc3c(C)ccnc32)cc1 963070608 OURAYRLNCZBRET-SANMLTNESA-N 424.585 5.383 0 1 HKAF Fc1cccc2c1[C@@H](c1c(-c3ccc(Cl)cc3)[nH]c3ccccc13)N1CCC[C@@H]1C2 963093280 BIJYGQUFFKMANA-BCHFMIIMSA-N 416.927 6.737 0 1 HKAF CC(C)CNC(=O)c1c(-c2ccc(COc3cccc(O)c3)cc2)oc2ccccc12 1772626518 LICHHTPELMEAFE-UHFFFAOYSA-N 415.489 5.770 0 1 HKAF O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)cc2)CC1 1772652017 XCIVGPGSJPAWCB-IYARVYRRSA-N 415.461 5.008 0 1 HKAF Cc1nnc2n1-c1ccc(-c3cnn(C)c3)cc1[C@H](Nc1ccc3ccccc3c1)CC2 1857620039 ZVYQOCJLZYXAKO-XMMPIXPASA-N 420.520 5.229 0 1 HKAF COc1ccc(-c2cc(-c3ccc4cc(F)ccc4n3)n(-c3ccc(F)cc3)n2)cc1 1857634311 WMSHLWNWPVHDJZ-UHFFFAOYSA-N 413.427 6.041 0 1 HKAF O=c1c2ccccc2nc(-c2ccc(OCc3ccccc3)cc2)n1C1CCCCC1 1857757585 OLCDQXFOKRVISL-UHFFFAOYSA-N 410.517 6.148 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C(OCC[C@@]21C)[C@@]1(C)CC[C@@H](O)CC1=CC3 2356418501 KWWIDBSRZVKILE-KNZZIZKGSA-N 400.647 7.037 0 1 HKAF CC(=O)CCCC(C)(C)C(=O)CCC(C)=CCCC(C)=CCCC1=CC(=O)O[C@H]1O 2356502038 VJORARHIZPYLAR-XMMPIXPASA-N 418.574 5.376 0 1 HKAF CC(=CCCc1coc(Cc2ccoc2)c1)CCC=C(C)C[C@H]1OC(=O)C(C)=C1O 2356641110 DHGXHXHBAJWWPD-HSZRJFAPSA-N 410.510 6.216 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356654792 KLVOVVGNJIYRRP-CHPGVSLCSA-N 412.702 7.801 0 1 HKAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCc1ccc(OCC)cc1 4217085 KYKFITCQGWEZNH-RPBOFIJWSA-N 422.569 5.458 0 1 HKAF COc1ccc(CN[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 5070868 ATYHKHNRBNWDKT-HSZRJFAPSA-N 422.569 5.150 0 1 HKAF CS(=O)(=O)c1ccc(-c2[nH]c3ccc(Cl)cc3c2-c2ccc(Cl)cc2)cc1 13477366 HQPSGFHKIRELML-UHFFFAOYSA-N 416.329 6.212 0 1 HKAF O=C(O)CCCCCc1ocnc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1 13834179 LUZSZLDIRJKFHL-UHFFFAOYSA-N 402.450 5.851 0 1 HKAF CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCN(C(=O)CN)C=C21 26258936 FUOPUFUPGVAHIK-HLIPFELVSA-N 414.590 5.031 0 1 HKAF COc1ccc(-c2noc([C@@H]3[C@@H](c4ccc(Cl)cc4)C[C@@H]4CC[C@H]3N4C)n2)cc1 26723083 UHKLODIEZLNQLP-OYNPSCLESA-N 409.917 5.133 0 1 HKAF CCCCCOc1cc2ccccc2cc1[C@@H](O)CCCCCCCC(=O)OC 28527641 SDYGVCKEVRKYCO-QHCPKHFHSA-N 400.559 6.346 0 1 HKAF CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2[C@@H](c2ccc(Cl)cc2)C1 28893037 IBDXBPHXQDUOAO-XMMPIXPASA-N 416.968 5.120 0 1 HKAF O=C(O)/C=C/c1ccc(COc2ccccc2)cc1OCCc1ccc2ccccc2c1 38449675 HHJYFJGRTMWIMW-CCEZHUSRSA-N 424.496 6.138 0 1 HKAF CC(C)CNc1nc(CCc2cccc3ccccc23)cc(NCc2ccccc2)n1 40952900 QCUUJBFRSZYGCT-UHFFFAOYSA-N 410.565 6.095 0 1 HKAF COc1ccc(-c2nc3ccc(Cc4ccccc4)cn3c2NC2CCCC2)cc1O 43079745 MADSMRZVYFRJRN-UHFFFAOYSA-N 413.521 5.661 0 1 HKAF Cc1cc(=O)oc2cc(N3C(=O)CS[C@H]3c3ccc(Cl)cc3Cl)ccc12 49708493 LGDUZHHOTFPGEL-IBGZPJMESA-N 406.290 5.187 0 1 HKAF COc1ccccc1[C@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(C)cc1 49803858 CSDHQBMXPXZRCA-CQOQZXRMSA-N 420.509 5.848 0 1 HKAF C[C@@](O)(c1ccc(S(=O)(=O)c2ccccc2-c2ccc(F)cc2)cc1)C(F)(F)F 64549739 DOPRCGPCIUXMCJ-HXUWFJFHSA-N 424.415 5.095 0 1 HKAF Brc1ccc(C2=C(c3cc(-c4ccccc4)no3)[C@@H]3CC[C@H](C2)S3)cc1 66111696 HWUDNPRGWFSDEO-UTKZUKDTSA-N 424.363 6.683 0 1 HKAF Fc1cccc(-c2cc3nc(-c4ccccc4)cc(NCCN4CCCCC4)n3n2)c1 72185666 OXRFLNPXYHAVBZ-UHFFFAOYSA-N 415.516 5.100 0 1 HKAF O=C1[C@@H](c2ccccc2Cl)C[C@H](c2ccccc2Cl)C(=O)N1c1ccccc1 73197419 ABPKIIMRPHCEAG-RTBURBONSA-N 410.300 5.824 0 1 HKAF Cc1ccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(Cl)cc2)cn1 84714758 APUIBWTUKWJZSX-OAQYLSRUSA-N 410.304 5.688 0 1 HKAF COc1cccc(C2(c3cccc(OC)c3)C[C@H]3c4ccccc4[C@H]2c2cccc[n+]23)c1 100729150 XNPMOWWZDVCOBR-NSOVKSMOSA-N 420.532 5.416 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O 118936752 HHVQPBXBALLUDF-GBEAZAASSA-N 418.662 5.618 0 1 HKAF endogenous,in-man CCCCCCCCNC(=O)Oc1cccc(-c2ccc([C@H](C)C(=O)O)cc2F)c1 143774104 UXTCVRSNFHPCCG-KRWDZBQOSA-N 415.505 6.130 0 1 HKAF COc1cccc(F)c1[C@H]1C[C@@H](C)C(=O)N1Cc1csc(-c2ccc(C)cc2)n1 166820052 MOXOWSSMOJNDCO-DNVCBOLYSA-N 410.514 5.376 0 1 HKAF COc1ccc(-c2nnc(Nc3csc(-c4ccc(C)cc4)c3)s2)cc1OC 169350801 JTUJITGKAABHDW-UHFFFAOYSA-N 409.536 6.003 0 1 HKAF CC(C)=CCc1c(-c2ccc(O)cc2O)oc2cc(O)c(/C=C\C(C)C)c(O)c2c1=O 212713824 ZKLKJLSAAKJRDT-YVMONPNESA-N 422.477 5.460 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257608682 WOVIRZFRRNEFES-PJBRTSTPSA-N 414.718 8.313 0 1 HKAF endogenous,in-man C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2c1cnc(-c2ccccc2)[nH]1 261123397 JVUNQIZFNNFUQK-DKWAQVAXSA-N 416.609 6.484 0 1 HKAF COc1ccc2cc3n(cc-2c1=N[C@@H](C)c1ccccc1)CCc1cc2c(cc1-3)OCO2 377840007 FYJTVIQVVVTNEN-KRWDZBQOSA-N 424.500 5.215 0 1 HKAF Cc1cccc(-c2ccccc2)c1-c1nc2ccc(I)cc2[nH]1 586880052 YAZVPVDJLBSPFJ-UHFFFAOYSA-N 410.258 5.810 0 1 HKAF O=C1c2ccccc2-c2cc(Cc3ccc(-c4ccccc4)cc3)nc3ccc(O)c1c23 586991130 JLEJPOWJGDAFQW-UHFFFAOYSA-N 413.476 6.410 0 1 HKAF Clc1cccc(-c2cc(-c3nc4c(Cl)ncc(Br)c4[nH]3)n[nH]2)c1 587068202 LKZWOOGIZBJFGU-UHFFFAOYSA-N 409.074 5.084 0 1 HKAF Cc1cnc(Cl)c2[nH]c(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)nc12 587080924 HRFSCIGQKOUIFV-UHFFFAOYSA-N 421.287 6.161 0 1 HKAF CC(=O)[C@@H](C/C=C\c1ccccc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587100067 ZJIYGDYSZNRZHJ-ZRKSWWEUSA-N 417.508 6.531 0 1 HKAF CC/C=C/C[C@@H]1c2nc3c(C)ccc4c3c(c2C[C@H]1CC(=O)O)-c1ccccc1C4=O 587100628 MVRLAYGCYAJXHP-XLYSIVADSA-N 411.501 5.842 0 1 HKAF Cc1cc(-c2nc3cc(C(C)(C)C)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587123730 GQJPNACPVSRYJJ-UHFFFAOYSA-N 411.449 5.097 0 1 HKAF Fc1ccc2c(c1)C[C@@H](c1nc3cc(Br)cc(C(F)(F)F)c3[nH]1)O2 587173368 CDEREYUMAMAYQP-ZDUSSCGKSA-N 401.157 5.160 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C2=CCCCC2)CCC3)c1 587364734 BZUQONVJYORRTJ-OAQYLSRUSA-N 409.529 7.577 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnccc1-c1cccc(Br)c1)O2 587371979 NCKXUFOUDREIJP-FQEVSTJZSA-N 409.283 5.108 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3ccc(F)c(Cl)c3)o1)O2 587381296 GMZDKPIKILBZMR-FQEVSTJZSA-N 401.821 5.248 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccc(NC(=O)c4ccccc4Cl)c1)[C@@H](C2)C3=O 587421132 TWVKFCQOTLHREL-MBSDFSHPSA-N 419.864 5.090 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cc(C(F)(F)F)ccn4)cc1)[C@@H](C2)C3=O 587423638 UOLIMXMJERMIMM-HTAPYJJXSA-N 411.379 5.265 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1cc(Cl)cs1)[C@@H](C2)C3=O 587428064 LXHVJPPIAYONAH-HRAATJIYSA-N 400.858 5.240 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)Cc1cc(C(C)=O)ccc1-4)[C@@H](C2)C3=O 587446605 ZWVIMJIPULEHQB-HOFKKMOUSA-N 410.469 5.132 0 1 HKAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc5ccccc5cc41)[C@@H](C2)C3=O 587447236 OEFMLSYRPTUGHQ-NEKDWFFYSA-N 418.448 5.084 0 1 HKAF COc1cc2c3c(c1)O[C@]1(c4ccccc4Sc4ccc(Cl)cc41)[C@@H](C2)C3=O 587453096 PMRHQAPKIFNYME-SBUREZEXSA-N 406.890 5.504 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](c3ccc(C(F)(F)F)cc3)C1)CC2=O 587464930 ZHLIGFCRDFFLOV-NYHFZMIOSA-N 404.428 6.035 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccc(C(C)(C)C)cc1)CC2=O 587469227 LOYWZRZREIRRCL-ZSNJSTEGSA-N 407.554 5.578 0 1 HKAF O=C1C[C@@]2(CCC[C@@H]2c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587503949 DJZWURDMPKOLPC-NFBKMPQASA-N 400.440 6.256 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccccc1Cl 587550223 VSPYDICPVITWEY-ZJSXRUAMSA-N 417.848 5.539 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N)c1 587582250 ZEBUOSANIRUZJM-RPLLCQBOSA-N 423.468 5.188 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cc2ccccc2)ccc1O 587607342 ICSCXZKRAWRHGV-IGKIAQTJSA-N 424.452 5.392 0 1 HKAF O=C(O)c1cccc2c(-c3nc4ccccc4o3)c(-c3cccc(C(F)(F)F)c3)[nH]c12 587637946 RKZVZCOAMWBBHS-UHFFFAOYSA-N 422.362 6.360 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(Cl)cc3Cl)c2c1 587643106 YSNGTYYTZOBDMK-SNVBAGLBSA-N 414.254 7.238 0 1 HKAF Cc1cc(C(F)(F)F)cnc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655801 RAEWMCUDELRFKE-UHFFFAOYSA-N 417.337 5.053 0 1 HKAF Cc1cc(C)c2nc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)sc2c1 587660865 HWUCKUVQKQUSRU-UHFFFAOYSA-N 401.466 5.418 0 1 HKAF COc1c(C)cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587692529 LAPMVMXXTHXYPA-WYRIXSBYSA-N 412.730 5.356 0 1 HKAF COc1cc(C)c(Cl)c(C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587698750 ZXETUOCOWHPKPH-DGIBIBHMSA-N 412.730 5.491 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3cccc(Cl)c3)c2)N1 587704392 SYGFJVSQWBJAKZ-JEOXALJRSA-N 420.713 5.051 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccco2)N1 587729780 DKNJQJFDVIMTEK-MPBGBICISA-N 404.254 5.146 0 1 HKAF CCCCn1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 587757166 NMBBWMBZNBFKNN-XCLFUZPHSA-N 416.338 5.362 0 1 HKAF COc1cc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)C 587808481 QGCSGBKDFJUHGU-ZSEKCTLFSA-N 406.339 5.652 0 1 HKAF CC(C)[C@]1(c2ccc(C(C)(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813898 QKVDESJVXFOUPE-NPMXOYFQSA-N 418.394 6.320 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(Cl)nc(SC)n1 587866549 MXWDOISBQNSJGY-UHFFFAOYSA-N 414.840 5.122 0 1 HKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587952347 PGYBKXXLYYQXMP-NVBFEUDRSA-N 419.285 6.391 0 1 HKAF COc1ccc2c(c1OC)[C@]1(CCCc3c1[nH]c1c(Cl)cccc31)N(C)[C@H](C)C2 962638992 XRFQUTUYQGWZPL-SHACYNPGSA-N 410.945 5.295 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cn(C(=O)OC(C)(C)C)c2cc(C)ccc12 963240539 KKBZHEKXSQMABX-KBMIEXCESA-N 418.581 6.479 0 1 HKAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 1772577207 ORPDGDBKUOHGBE-RGXSJHPUSA-N 401.723 7.696 0 1 HKAF Cc1cccc(NC(=O)Nc2ccc(-c3ccnc4[nH]nc(C(F)(F)F)c34)cc2)c1 1772593383 HAIFKHTXBPIOKM-UHFFFAOYSA-N 411.387 5.596 0 1 HKAF COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(Cc3cccc(Cl)c3)CC1)C2 1772653266 CSYVGFFWWUUSDU-LJQANCHMSA-N 413.945 5.015 0 1 HKAF Clc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCSCC2)cc1 1857649243 RYPWKJPAOIVIDR-UHFFFAOYSA-N 419.981 5.871 0 1 HKAF Cc1ccc(-c2nc3ccccc3n2C(=O)n2c(-c3ccc(C)o3)nc3ccccc32)o1 1857749100 GZIZBHHELRWWJG-UHFFFAOYSA-N 422.444 6.039 0 1 HKAF Cc1c(-c2ccc(-c3ccccc3)cc2)nc2cnc(C(F)(F)F)cc2c1C(=O)O 1857756862 TZJNYTSWCYZMPX-UHFFFAOYSA-N 408.379 5.989 0 1 HKAF CC(C)CC[C@@H]1C[C@H](Cc2ccc(=N)[nH]c2)C[C@H]([C@@]23CC[C@@H]([C@H](N)C2)C(C)(C)O3)C1 2356294423 UTEGCQVUERHPEW-HXHXUWCCSA-N 413.650 5.180 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356343360 NEITZYUKMAAGFE-HUDIEWEESA-N 418.662 5.330 0 1 HKAF CC(C)C[C@@H]1c2c(O)c(C=O)c(O)c(C=O)c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c1ccc(-c2cnc3c(Nc4cccc(OC(F)(F)C(F)F)c4)nccn23)cc1 61907850 VFZWSFXPAOUBIT-UHFFFAOYSA-N 416.378 5.685 0 3 HKAF Cc1cccc2cc(CN(Cc3ccccc3)C(=O)c3cccc(Cl)c3)c(=O)[nH]c12 4540630 MGYGYZMIBMOQDM-UHFFFAOYSA-N 416.908 5.333 0 1 HKAF CN(C)c1ccc(CCN2CCc3cc(Cl)c(O)cc3[C@H](c3ccccc3)C2)cc1 13675867 HNNOJBGMULILCR-DEOSSOPVSA-N 420.984 5.344 0 1 HKAF CC(C)c1c(-c2ccccc2)cc(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 13861027 RACCRJRLIWPIFP-FGZHOGPDSA-N 421.512 5.541 0 1 HKAF CC(C)[C@@](C)(O)CCCCCCCCCCCCCc1cc(=O)c2ccccc2[nH]1 14447959 YWFRYNMHYMAQLJ-MHZLTWQESA-N 413.646 7.159 0 1 HKAF biogenic CC(C)CCCn1c2cc(C(F)(F)F)ccc2c2oc(C(=O)N3CCOCC3)cc21 26383020 YLZKQWFPIQNKMS-UHFFFAOYSA-N 422.447 5.315 0 1 HKAF FCCc1ccc([C@@]2(c3cccs3)C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)s1 26750713 NMLFXWQVLHDUDJ-GPUOULLFSA-N 418.582 6.034 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@](C)(C[C@@H](O)C3=CC(=O)O[C@@H]3O)CCC[C@@]21C 26974434 JSDANYFQRXTLHP-WLWSBDAZSA-N 406.607 5.224 0 1 HKAF C[C@H](C(=O)OCCc1ccccn1)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27559976 MSITXWHXNVQEKN-ILZDJORESA-N 409.551 5.066 0 1 HKAF C[C@](CO)(CCCCSCCCC[C@@](C)(CO)c1ccccc1)c1ccccc1 28567068 CABKSVMDTCABIY-WMPKNSHKSA-N 414.655 5.961 0 1 HKAF CCCCN(CCCC)CCCOc1ccc(/C=C/c2nc3cc(C)ccc3o2)cc1 29479582 FVZAFVKHPNIBOY-FOWTUZBSSA-N 420.597 6.978 0 1 HKAF Cc1ccc(C2(N3CCC4(CC3)C(=O)NC[C@@H]4c3ccccc3)CCCCC2)cc1 34576028 CPFDRWBGJJIFAB-XMMPIXPASA-N 402.582 5.150 0 1 HKAF O=C(O)/C=C/c1ccc(-c2ccc(F)c(C34CC5CC(CC(C5)C3)C4)c2)c(Cl)c1 40393508 PMDPBRYUGWJNJE-QHHAFSJGSA-N 410.916 6.712 0 1 HKAF C[C@@H](CN(C)C)C(=O)Nc1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)s2)c1 45325142 OBJYVUBDNYVXLI-AWEZNQCLSA-N 422.529 5.234 0 1 HKAF CCCCc1cnc([C@H](CCCO)Cc2ccc(-c3ccccc3C(=O)O)cc2)[nH]1 49089764 IZKNYADXWAWXCN-HXUWFJFHSA-N 406.526 5.216 0 1 HKAF O=c1c(Oc2ccc3cc[nH]c3c2)c(Cl)cnn1Cc1cccc2ccccc12 73372262 ZXMJYOHIEBROFI-UHFFFAOYSA-N 401.853 5.372 0 1 HKAF CC[C@H](C)Nc1ncc(C(=O)NCc2ccccc2Cl)c(-c2cccc(C)c2)n1 82146763 LJVZOQBCNMXVIE-INIZCTEOSA-N 408.933 5.246 0 1 HKAF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NCc2ccccc2)nc1-c1ccccc1F 82150827 DUOYWUFHHCWZSS-VGOFRKELSA-N 418.516 5.203 0 1 HKAF O=C(O)c1cc(-c2ccccc2)c(=O)n2c1sc1ccc(OC3CCCCC3)cc12 82155264 PWLKJKKKBOHGAE-UHFFFAOYSA-N 419.502 5.591 0 1 HKAF NCCS[C@](Cc1ccccc1)(c1ccccc1)c1ccc(Cl)c(Cl)c1 84653512 PBANVAMHRBGQGT-JOCHJYFZSA-N 402.390 6.172 0 1 HKAF C[C@@H]1OC(=O)[C@@H](CCCCCCCCCCCCCc2ccc3c(c2)OCO3)[C@@H]1O 85953876 DLBNWYBWBRNHGU-ZCVJKFOLSA-N 418.574 5.561 0 1 HKAF COc1cccc(Nc2nc(NC(=O)C(C)(C)C)nc3[nH]c4cccc(Cl)c4c23)c1 95586952 ZEDKJXMVVWZHSC-UHFFFAOYSA-N 423.904 5.501 0 1 HKAF CCCCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(N(C)C)cc1 100703598 PXGKEXVLDDRWPB-SFHVURJKSA-N 424.570 5.354 0 1 HKAF C(OC(c1ccccc1)c1ccccc1)=C1C[C@@H]2CC[C@@H](C1)N2CCCc1ccccc1 100937790 NLAHVKVXIGHJAJ-VMPREFPWSA-N 423.600 6.936 0 1 HKAF Cc1ccccc1OCc1ccccc1-c1nc(COc2ccc(Cl)cc2)cs1 103198512 KORQRXQYTUHNRP-UHFFFAOYSA-N 421.949 6.930 0 1 HKAF Cc1ccc2nc(-c3ccccc3N3C(=O)CS[C@@H]3c3ccccc3Cl)[nH]c2c1 103208317 ULUVOSLYGJEUOB-HSZRJFAPSA-N 419.937 5.970 0 1 HKAF C[C@@H](C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O 141770821 FNHCVZFFIXCRHR-LAOOXSSFSA-N 402.575 5.140 0 1 HKAF Clc1ccc2c(c1)c1c(n2CCCOc2cccc(Br)c2)CCNC1 169350512 HBMAYUOUMLPKII-UHFFFAOYSA-N 419.750 5.172 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 204881092 UKPIEUQYETXRKP-FIGWPGOPSA-N 418.662 5.330 0 1 HKAF Cc1cccc(C)c1C1CCN(C2CCC(NC(=O)/C=C\c3ccccc3)CC2)CC1 206760151 KIEQDHOGGRRWQH-WJDWOHSUSA-N 416.609 5.624 0 1 HKAF COc1ccc(NC(=O)[C@@H](CC(C)C)Nc2cc(C)nc(Nc3ccccc3)n2)cc1 206774155 DHMDIPNCAXZYBX-OAQYLSRUSA-N 419.529 5.003 0 1 HKAF CCCc1ccc(C(=O)c2cn(CCCCCF)c3cccc(F)c23)c2ccccc12 206822780 RRGVBGOMEZRGBH-UHFFFAOYSA-N 419.515 7.257 0 1 HKAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C 238762160 QDUDLLAGYKHBNK-VTYFQIIBSA-N 412.746 9.278 0 1 HKAF C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 263614374 IDLRVFXWSUWMHI-KUYJPBLDSA-N 418.662 5.332 0 1 HKAF in-vitro FC(F)(F)Oc1cc(Br)c2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 586882862 CLUZLYKRBSFRLG-WOLPVMLTSA-N 415.253 5.692 0 1 HKAF CCCCC1CCC(c2nc3c(I)cnc(Cl)c3[nH]2)CC1 586892162 USMFFMFHIOXUTH-UHFFFAOYSA-N 417.722 5.680 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2ccc(C(=O)O)cc2[nH]1 586982407 VUQKJUNYIMHCAW-UHFFFAOYSA-N 417.303 5.650 0 1 HKAF Cc1ccc2c3c(c(CC(=O)O)c(-c4cc(F)cc(F)c4)nc13)-c1ccccc1C2=O 586995944 NTXJAZUMGBZSCE-UHFFFAOYSA-N 415.395 5.327 0 1 HKAF CCCOc1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2cc1Br 587016272 IUGBVCZOPGUFQC-CQSZACIVSA-N 408.321 5.089 0 1 HKAF Cc1nc(COc2cccc(-c3nc4cc(Br)cc(C)c4[nH]3)c2)cs1 587020375 PWUOGOGMRLRTFB-UHFFFAOYSA-N 414.328 5.645 0 1 HKAF CC(C)(C)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2n1 587027166 PVMHIGHZDLBMOM-WDSOQIARSA-N 422.598 5.392 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(Cl)c(F)cc3[nH]1)N2 587032194 RUVSVEZIYCHURX-ISKYKNHCSA-N 422.938 5.482 0 1 HKAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 587049657 DAWZNKOBHVRFHJ-UHFFFAOYSA-N 413.852 6.090 0 1 HKAF COc1cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1OC 587069471 DLDSRGSTZDXMIZ-FLIBITNWSA-N 420.896 5.983 0 1 HKAF Cc1cc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c2cc1Br 587075545 HSAXJRBFBPIESR-UHFFFAOYSA-N 401.695 5.448 0 1 HKAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3c(Br)ccnc3[nH]2)c1 587092210 BEISHGYMNQWODZ-UHFFFAOYSA-N 410.115 5.425 0 1 HKAF Cc1ccc2c3c(cc(-c4cnn(Cc5ccccc5)c4)nc13)-c1ccccc1C2=O 587096028 BUZXILAOEIQXBX-UHFFFAOYSA-N 401.469 5.666 0 1 HKAF CCOc1ccc(OCC)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 587097716 NRAWGVBTMVAGHP-UHFFFAOYSA-N 409.485 6.219 0 1 HKAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2c(C)cnc(Cl)c2[nH]1 587121466 FJROYOVEEPROTF-UHFFFAOYSA-N 424.835 5.917 0 1 HKAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587159395 OPNWDMQAWWXFLN-UHFFFAOYSA-N 414.337 5.866 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587192477 UNDGVFROANUXAF-QGZVFWFLSA-N 421.419 5.418 0 1 HKAF CCOC(=O)c1oc2ccc(CC[C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2c1C 587413116 PXJRLCLCEVUPSD-VWLOTQADSA-N 421.493 5.165 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccccc4C)c1)[C@@H](C2)C3=O 587445520 ZVBOVQZJAPKERS-FNZWTVRRSA-N 416.473 5.080 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCCN1CCCC[C@H]1C)CC2=O 587473941 AQQKLVWGYPJHQI-IQGLISFBSA-N 423.553 5.304 0 1 HKAF C[C@@H](Oc1ccc(Cl)cc1Cl)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587503861 GZTLAGIQJFKTJI-DMZKTXOQSA-N 405.321 6.064 0 1 HKAF O=C1C[C@@](c2ccccc2)([C@H]2CCCc3ccccc32)Oc2c1ccc1c2CCCC1 587526148 RCCMMJLUVAGVIE-LITSAYRRSA-N 408.541 6.546 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H](Cc1ccccc1)C2 587604741 VYANSHLVNQORDP-CZZAQMAHSA-N 400.474 5.526 0 1 HKAF CSc1ccc([C@@]2(C(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587609874 ALQDZNPRVBRSDZ-XUZZJYLKSA-N 406.503 5.627 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccc(Cl)c(Cl)c2)N1 587699872 YCSKNMAXYBCHBH-YQJRCNHRSA-N 415.133 6.184 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)(F)F)c(F)c2)N1 587721354 PKSTYONCRBHURA-PWJLMRLQSA-N 422.191 5.250 0 1 HKAF CC[C@@]1(c2c(F)cccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587721743 QKSMZXMRFMOWTR-XTZNXHDOSA-N 400.694 5.569 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(F)cc2Cl)N1 587728982 UMIOPJMPYXZMJB-MGNBDDOMSA-N 400.694 5.373 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccc(F)cc3)s2)N1 587735124 PFVYOWJEOWPNGF-MLCYQJTMSA-N 421.310 5.474 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cc3ccccc3)s2)N1 587847919 MUDCXQKNJXXVFM-LRTDBIEQSA-N 416.359 5.864 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1C[C@H]1c1ccc(C)cc1 587862818 XHLSLWMSZPUYDY-DLBZAZTESA-N 400.400 5.330 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(Br)c(CC)s1 587872555 NCRRJJQPJXSQNA-UHFFFAOYSA-N 423.307 5.163 0 1 HKAF CCCCc1ccc(-c2ccc(-c3nc(-c4ccc(F)c(F)c4)cs3)cc2)cc1 587922391 NVRNKFOIJSGHBE-UHFFFAOYSA-N 405.513 7.765 0 1 HKAF COc1ccc(C2(c3nc4ccc(F)c(Br)c4[nH]3)CC3(CCC3)C2)cc1 587934978 JVKINZVDGIJZPH-UHFFFAOYSA-N 415.306 5.723 0 1 HKAF CC[C@]1(Cc2nc3cc(Br)cc(F)c3[nH]2)CC(=O)c2ccccc2C1 587960468 LVWSLTXUPPJEHR-HXUWFJFHSA-N 401.279 5.233 0 1 HKAF CCCc1ccc([C@@]2(c3cnc4ccccc4c3)NCCc3ccc(F)c(C)c32)cc1 962377469 RKMOQIMZOVTPJD-NDEPHWFRSA-N 410.536 6.072 0 1 HKAF COc1ccc([C@H]2NCCc3c(C)ccnc32)cc1COc1ccc(Cl)cc1C 963078908 ZTRGGFNCSPUKRC-HSZRJFAPSA-N 408.929 5.175 0 1 HKAF CCOc1ccc(Nc2c(-c3ccc(OC)cc3)c(=O)oc3cc(OC)ccc23)cc1 1772582567 UHKQERSMPUCUCZ-UHFFFAOYSA-N 417.461 5.620 0 1 HKAF Cc1ccc(-c2nonc2-c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)cc1 1772642063 PPWDXKAZGHHTNG-UHFFFAOYSA-N 406.392 5.634 0 1 HKAF Brc1ccc(/C=C(\Cn2ccnn2)c2ccc(Br)cc2)cc1 1857552576 QMYCFUVDQQINKF-RVDMUPIBSA-N 419.120 5.044 0 1 HKAF COc1ccc(C(=O)n2cc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2)cc1 1857586412 BJEVCEUZTZAIGK-UHFFFAOYSA-N 413.473 5.536 0 1 HKAF COC(=O)c1sc(-c2ccc(C)cc2)cc1Nc1cc(OC)c(OC)c(OC)c1 1857655073 QFJBQZYAMVXHIM-UHFFFAOYSA-N 413.495 5.280 0 1 HKAF Cc1cc(O)cc2c1O[C@H](C)[C@H](CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C2 2356374190 PMFTXNJUEOLHLA-NEUULRRLSA-N 402.663 8.079 0 1 HKAF CC1=C(C=CC[C@H](C)CCC[C@H](C)CCC[C@H]2CCCC(C)(C)C2)C(C)(C)CCC1 2356415964 CULXOYWCXZXOLD-WEWMWRJBSA-N 414.762 10.289 0 1 HKAF CC(C)=C[C@@H](O)CC(C)=CCc1c(O)cc2c(c1O)O[C@@H](c1ccccc1)CC2=O 2356482512 NZQIAPMLLOBATL-WZONZLPQSA-N 408.494 5.010 0 1 HKAF CC(C)=CCCC(C)=CCC[C@]1(C)OC(=O)[C@H](C(=O)c2ccc(O)cc2O)[C@H]1C 2356599176 PUFZTKZBPIVBQR-GQOCTPOGSA-N 400.515 5.321 0 1 HKAF O=C(NCc1c(Cl)cccc1Cl)c1nc(C(F)(F)F)[nH]c1-c1ccccc1 72120134 YJFKJUNVLWKHKW-UHFFFAOYSA-N 414.214 5.332 0 3 HKAF COc1ccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)C6CC6)c5c4)cc32)cc1 200476345 RHVYKBJWHKXAJM-UHFFFAOYSA-N 420.512 6.370 0 3 HKAF C[C@@H](c1ccccc1)N1CC[C@H]2C=CC[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]2C1=O 205705149 WOYDVEDYBWQYPL-MZTRBVECSA-N 408.929 5.081 0 3 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2557462 GVAODFIKHWYQPE-PCOPDWTGSA-N 416.646 5.971 0 1 HKAF biogenic Cc1c(O)cc2c(c1C)O[C@@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)CC2 4095862 QUEDXNHFTDJVIY-TYPXCFOJSA-N 416.690 8.532 0 1 HKAF endogenous,world CCCO/N=C/C=C/[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 13808994 DQYJLZOJHXQMRC-LBFRTFKHSA-N 403.607 5.090 0 1 HKAF CCOc1ccc(C2=NN(Cc3ccccc3)C(=O)[C@@H]3CCCC[C@H]23)cc1OCC 13863453 BGARLRUFQVBBEZ-LEWJYISDSA-N 406.526 5.037 0 1 HKAF C=Cc1ccc2c(c1)[C@@H]1CC(C)=C[C@H](c3cc(CCN(C)C)ccc3O)[C@H]1C(C)(C)O2 14556119 SBXAMKRXWQKDBV-ONBPZOJHSA-N 417.593 6.144 0 1 HKAF biogenic CC(C)=CCC/C(C)=C/Cc1c(O)cc2cc3c(c(O)c2c1O)C(=O)C[C@@](C)(O)C3 14883311 GUJKRVVBNWGDJR-HRDREGIBSA-N 410.510 5.072 0 1 HKAF O=C(O)COc1c(C(=O)O)sc2c1sc1cc(NC3CCCCC3)ccc12 14955039 RJMPCXXQQFWWPL-UHFFFAOYSA-N 405.497 5.022 0 1 HKAF COc1cccc2c1CCC[C@@H]2CCCCCCN1CCN(C2CCCCC2)CC1 22931132 YWDVQCRTJZURGA-QHCPKHFHSA-N 412.662 6.016 0 1 HKAF Cc1ccc2c(c1Br)N[C@H]1[C@H](Cc3cccc4ccccc34)NCC[C@H]21 26674438 UCLCHOONYIGMMV-RZUBCFFCSA-N 407.355 5.393 0 1 HKAF CCCCCCC(=O)OC1=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@H]34)[C@@]2(C)CCC1=O 27878578 UZEWWJQTFIVUHF-LWKKZUAWSA-N 414.586 5.929 0 1 HKAF CC(=O)Nc1cc(-c2ccccc2)c(-c2nnc3sc(-c4ccccc4)nn23)s1 28827008 KMWYBWMCMDBJGT-UHFFFAOYSA-N 417.519 5.207 0 1 HKAF C=C1C[C@H](O)[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C 33820666 JPHQTWWCNKGWOA-GKWLTTGZSA-N 400.647 6.590 0 1 HKAF Cc1cccc(C)c1NC(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C 36189277 QAHXIOGYJOSPBU-LQZQZONRSA-N 420.597 5.155 0 1 HKAF C[n+]1cccc(C(=O)Oc2cc(Cl)ccc2Oc2ccc(Cl)cc2Cl)c1 40976730 CHOURYYMQWYYGT-UHFFFAOYSA-N 409.676 5.483 0 1 HKAF CC(=O)N1CCC[C@@H]1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccccc1F 43013924 JNQAFRASIYISAZ-OAQYLSRUSA-N 416.456 5.240 0 1 HKAF O=C(Nc1ccc2c(c1)CCC(CN1CCCC1)=C2)c1ccc(-c2ccccc2)cc1 72118427 QQNJJXBJUFOPQJ-UHFFFAOYSA-N 408.545 6.031 0 1 HKAF Cc1cccc(-c2nc(NCc3ccccc3)ncc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 82146714 DUCDKUZKZVONSD-BGYRXZFFSA-N 414.553 5.182 0 1 HKAF Cc1ccc(-c2nc3c(NC4CCCCCC4)ncnc3n2CC[C@@H]2CCCN2C)o1 82190764 VMLKWOYKVYOBCC-IBGZPJMESA-N 422.577 5.014 0 1 HKAF CC(C)CNC(=O)/C=C/[C@@H]1C[C@H]1[C@@H]1C[C@H]1[C@@H]1C[C@H]1[C@@H]1C[C@H]1[C@@H]1C[C@H]1/C=C/[C@@H]1C[C@H]1C 84740945 SZYJBOHZBFNTMP-YPHXIUFTSA-N 407.642 5.708 0 1 HKAF O=C(Nc1ccc(SC(F)(F)F)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 95589633 JWOQAMMMMPPFSG-UHFFFAOYSA-N 414.758 6.615 0 1 HKAF O=C(O)/C=C\c1ccc(Oc2c(-c3ccccc3)c(C3CC3)cc3cc(O)ccc23)cc1 164851321 WLCNMXHJDTTWKE-NVNXTCNLSA-N 422.480 6.980 0 1 HKAF in-vitro C[C@H]1C[C@H](c2ccccc2-c2ccccc2)N(Cc2cccc(-c3ccccc3)c2)C1=O 167073457 VRFHKAPZPRAWKA-PZGXJGMVSA-N 417.552 7.130 0 1 HKAF CCOC(=O)c1ccc2c(c1)nc(-c1ccc(Br)cc1)n2-c1ccccc1 169353546 NIEJLQPCJJINJH-UHFFFAOYSA-N 421.294 5.632 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255202659 CMDFMNRXDJEXBA-YKBVTCEASA-N 400.691 7.923 0 1 HKAF CC[C@H](/C=C\[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C)C(C)C 257505606 OQMZNAMGEHIHNN-DPSZXLMNSA-N 410.686 7.721 0 1 HKAF endogenous,in-man CCCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 299887968 ZRHVKZXRQGYKEA-IVOMFYJKSA-N 420.601 5.465 0 1 HKAF Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 586890590 RHAQKGIRFUIVOB-MGPLVRAMSA-N 413.237 5.490 0 1 HKAF CCCCC1CCC(c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)CC1 586892737 VZQFYHXKOFFHIQ-UHFFFAOYSA-N 421.423 7.214 0 1 HKAF O=C1O/C(=C/c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c2ccccc21 586906643 OUJXCOLYXNFPRC-NTUHNPAUSA-N 409.161 5.013 0 1 HKAF CC(C)(C)c1cccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 587018743 NGLAEXZKUWVIDA-UHFFFAOYSA-N 405.523 5.346 0 1 HKAF Cc1nn(-c2cccc(-c3nc4ccc(Br)c(C)c4[nH]3)c2)c(C)c1Cl 587065172 LBSKYTYWQMQSCL-UHFFFAOYSA-N 415.722 5.757 0 1 HKAF CC(C)Oc1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1 587081211 KTOSAWILIPKTNZ-UHFFFAOYSA-N 403.873 5.380 0 1 HKAF COc1cc(OC)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(OC)c1 587097560 MIQLUOMQBJMAIU-UHFFFAOYSA-N 411.457 5.447 0 1 HKAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2c(C)ccc(C)c2[nH]1 587122084 PVPNEYLSTDASPV-UHFFFAOYSA-N 403.429 6.177 0 1 HKAF CC(C)(C)Oc1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(N)cc1F 587135647 AHXOXHOJROONCH-UHFFFAOYSA-N 401.791 5.801 0 1 HKAF CC(C)CCOc1cc2nc(-c3cc(S)ccc3F)[nH]c2cc1Br 587141502 RJIHHHDGSBSJOB-UHFFFAOYSA-N 409.324 5.845 0 1 HKAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(C)c(Cl)cc4[nH]3)cc2)cc1F 587147072 DQHUGQPTMNHGFS-UHFFFAOYSA-N 421.903 5.671 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cccc(C(F)(F)F)c3[nH]2)cc1F 587150507 LDDWKTYORHXSDG-IBGZPJMESA-N 404.338 6.028 0 1 HKAF COc1cccc(-c2cc(F)cc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2)c1 587160441 RUXAHKBPVXCELE-UHFFFAOYSA-N 402.404 5.369 0 1 HKAF Cc1cc(Br)cc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c12 587204841 MKWHDIOIBVVLGD-CQSZACIVSA-N 410.356 5.116 0 1 HKAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc(F)cc1 587383738 FVJWHMHHLXWTGQ-QFIPXVFZSA-N 407.441 5.010 0 1 HKAF COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C 587398013 ZTFJCOGJLFHZJK-QHCPKHFHSA-N 412.489 5.749 0 1 HKAF O=C1C[C@]2(CCCCc3ccc(Br)cc32)Oc2c1ccc1c2CCCC1 587500878 YPVQYMUKNFLDOZ-QHCPKHFHSA-N 411.339 5.915 0 1 HKAF Cc1cc2c(c(C)c1Cl)[C@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545088 GOXIKNDZBSXJEK-RDPSFJRHSA-N 422.864 5.302 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1c(Cl)cccc1Cl 587547023 RYQPICMQUKHIOD-QUCCMNQESA-N 415.272 5.662 0 1 HKAF Cc1cc(C)c2c(c1)CC(C)(C)C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603584 NVQKPHMKJLKGNF-HOFKKMOUSA-N 414.501 5.839 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccccc2)ccc1O 587605916 BRTCDKJFACWKIB-JYFHCDHNSA-N 410.425 5.468 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3Cl)o2)N1 587691891 ADUUZQDXAYSHKU-GIPWTMENSA-N 420.709 6.125 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCNc3ccc(Cl)cc32)N1 587702809 WQXHXOXGJLUBLH-WLRWDXFRSA-N 409.730 5.225 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2cccc(Cl)c2)N1 587704128 SLHSANJUDLQXHI-IYBXPEPISA-N 423.757 5.095 0 1 HKAF Cc1c(F)ccc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n(C)c12 587731783 ZWOHGJXXBFEAJM-OVWNDWIMSA-N 405.286 5.151 0 1 HKAF CCCCCOc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587792404 KVFRRIJLPXPUHA-NYHFZMIOSA-N 420.366 5.955 0 1 HKAF CC(C)=CCC/C(C)=C/C=C/[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587813443 CTQXUCCROWLHFD-NSXQGOOCSA-N 406.383 6.587 0 1 HKAF COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1SC 587843744 JEBGEIKSKXLZKU-WLRWDXFRSA-N 410.352 5.116 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2c(CC)cccc2s1 587866408 CFRAQBSJBLPDII-UHFFFAOYSA-N 417.456 6.129 0 1 HKAF COc1ccc(C(C)(C)C)cc1-n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587868721 QCXHQQHCACSIRC-UHFFFAOYSA-N 405.420 5.268 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 587869978 WUGJOULNYLBXLJ-AWEZNQCLSA-N 402.853 5.157 0 1 HKAF Cc1ccc(-c2csc([C@H](C)Cn3nc(C(F)(F)F)cc3C3CC3)n2)cc1C 587920877 OFXDVGCXIJBBES-CQSZACIVSA-N 405.489 6.323 0 1 HKAF CCOc1cc(C(C)=O)c(OCC)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 587946379 XBXORSYMZGIPND-UHFFFAOYSA-N 423.484 5.897 0 1 HKAF CCCCCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1 653853416 ZLKJJCYLOMQZTN-UHFFFAOYSA-N 405.329 5.295 0 1 HKAF COc1ccc([C@@H]2NCCc3ccc(F)c(C)c32)cc1COc1cc(C)cc(C)c1 962148257 SIIRQADWTQPVDP-SANMLTNESA-N 405.513 5.574 0 1 HKAF COc1cc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)ccc1C(F)F 962646861 VGWYTHPJRULXOB-PXDATVDWSA-N 420.503 5.469 0 1 HKAF COc1cccc([C@@]2(c3cncc4ccccc34)NCCc3c2sc(C)c3C)c1 963007110 GMJADWZJRYBFDE-VWLOTQADSA-N 400.547 5.359 0 1 HKAF Cc1ccc(C)c([C@@]2(CCc3ccccc3C)c3c(F)cccc3C[C@H]3CCCN32)c1 963108257 OPBAMKHIUAZSFC-IRPSRAIASA-N 413.580 6.648 0 1 HKAF O=C(O)CCC[C@@]1(c2cc(Cl)ccc2Cl)c2ccc(F)cc2C[C@H]2CCCN21 963119896 ZXHSSUQRDUUYKQ-VGSWGCGISA-N 422.327 5.652 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccc(OC(F)F)c(OC2CCCC2)c1 963222773 CUKUALVHCYPGCM-BXKMTCNYSA-N 415.524 6.355 0 1 HKAF COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)ssc2=S)cc1N 1772583107 HWPJXXUEUMRZBR-UHFFFAOYSA-N 421.565 5.490 0 1 HKAF CC(C)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3C4=CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1 1772624363 DPGOATPSCRDEOQ-DJVYPGKWSA-N 417.593 6.526 0 1 HKAF Cc1ccc([C@@H]2CC(c3ccc(OCC4=NCCO4)cc3)=NN2c2ccccc2)cc1 1772655798 IWYZERFXPCTRGM-VWLOTQADSA-N 411.505 5.158 0 1 HKAF Cc1ccccc1[C@H]1c2ccsc2CCN1C(=O)Nc1cc(Cl)cc(Cl)c1 1857562736 PCFUHGVYFSIHCP-FQEVSTJZSA-N 417.361 6.543 0 1 HKAF Cc1cc(O)cc2c1O[C@H](C)[C@H](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C2 2356374189 PMFTXNJUEOLHLA-LUGTWXOSSA-N 402.663 8.079 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356381116 ATSOHKZZFSOWDR-AGAXSYPHSA-N 416.734 7.961 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(O)=CC[C@]4(C)[C@H]3CC[C@]12C 2356515152 CPTCHGRDJMOIJZ-JQCIDXNDSA-N 400.691 8.406 0 1 HKAF CC(=CCCC(C)C)[C@@H]1CC[C@]2(C)C1=CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C 2356565258 SXTIDPQFHVNBMX-BYZHWYKKSA-N 424.713 8.543 0 1 HKAF CC(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@@]5(C)CCCC(C)(C)[C@H]5CC[C@@]43C)[C@H]12 2356641367 NKMDIWKRKQFYPH-HAGBMFOESA-N 412.746 9.134 0 1 HKAF C[C@@H](C1=NC[C@@](C)(O)CC1)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356648365 YCTLKNVWQFQYLE-NNMWKRIRSA-N 413.646 5.548 0 1 HKAF COc1ccc(-c2cccc([C@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c2)cc1 13814629 PDJLUWXVGOSVBT-YGLGWZAOSA-N 423.556 6.274 0 3 HKAF aggregator CCCCCNc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1 2014431 QQYVWADKUVVSAY-UHFFFAOYSA-N 400.952 5.127 0 1 HKAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2sccc2[C@@H]1CN1CCCCC1 3797738 CFDUQHHQBATUFR-IBGZPJMESA-N 423.409 5.209 0 1 HKAF Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1 6234412 UZCRKOYBDAIDGF-UHFFFAOYSA-N 411.530 5.850 0 1 HKAF CCOc1cc2ncnc(Nc3cccc(-c4nc(C)cs4)c3)c2cc1OCC 13490788 SSEAWJZDUNEHNN-UHFFFAOYSA-N 406.511 5.603 0 1 HKAF CC(C)=CCC/C(C)=C/C=C/C1=C[C@@]2(C)C[C@]1(C)[C@@H](/C=C(\C)CCC=C(C)C)CC2=O 13783086 XWYRFBXKAWNVEG-CLZQFUFESA-N 420.681 8.860 0 1 HKAF c1ccc(CN2C[C@H](CN3CCC(c4ccccc4)CC3)[C@@H](c3ccccc3)C2)cc1 26652117 UBLXYTLHCHAYRI-URLMMPGGSA-N 410.605 5.782 0 1 HKAF CO[C@H]1C=Cc2ccccc2N1c1ccc(CC(=O)N(C)CCc2ccccc2)cc1 27211982 JQRTXIRGMHKNQQ-MHZLTWQESA-N 412.533 5.068 0 1 HKAF C[C@@](CO)(CCCCSCCCC[C@@](C)(CO)c1ccccc1)c1ccccc1 28567066 CABKSVMDTCABIY-UIOOFZCWSA-N 414.655 5.961 0 1 HKAF CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2[C@H](c2ccc(Cl)cc2)C1 28893032 IBDXBPHXQDUOAO-DEOSSOPVSA-N 416.968 5.120 0 1 HKAF COc1cccc(OCC(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)c1 29050146 PGJDYGZNXOUYAY-UHFFFAOYSA-N 402.450 5.138 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@]1(O)[C@@H](O)C3 35796338 NWTTZHBMXCCOSW-YACPQFPNSA-N 416.646 5.539 0 1 HKAF Cc1ccc(NC(=O)Nc2ccc3ncnc(Nc4ccc(F)cc4)c3c2)cc1Cl 40865328 UGHIBUCCHCRFLM-UHFFFAOYSA-N 421.863 6.118 0 1 HKAF CCn1cc/c(=N\c2cccc(CCc3ccc(C(F)(F)F)cc3)c2)c(Cl)c1 43011027 ZXINURQKWLPVNQ-SZXQPVLSSA-N 404.863 6.198 0 1 HKAF COc1ccc(N(c2nc(-c3cc(Cl)ccc3Cl)cs2)[C@H]2CCNC2)cc1 45168114 JBPFYOLAPNNOOT-HNNXBMFYSA-N 420.365 5.626 0 1 HKAF OCC1CCN(Cc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)s3)cc2)CC1 45202438 TYGBCBIWQFFANQ-UHFFFAOYSA-N 421.541 5.302 0 1 HKAF CC(C)c1onc(-c2ccc(F)cc2)c1-c1ccnc(N[C@@H](C)c2ccccc2)c1 45287597 ZDGWVGGUWRXRME-KRWDZBQOSA-N 401.485 6.839 0 1 HKAF Fc1cccc(Cl)c1-c1nc(NCCC(c2ccccc2)c2ccccc2)no1 45322248 CBOSWPJVZKFOMJ-UHFFFAOYSA-N 407.876 6.163 0 1 HKAF O=c1cc(N2CCOCC2)c2cc(-c3cccc4c3sc3ccccc34)ccc2o1 49775609 ZAWMVVAUTPIFOW-UHFFFAOYSA-N 413.498 5.665 0 1 HKAF Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 72120503 QAJJGOSSCPJFFJ-RUZDIDTESA-N 424.475 5.652 0 1 HKAF O=C(Nc1ccc(NC(=O)c2ccccn2)cc1Cl)c1cc(Cl)cc(Cl)c1 82153851 IWGZEKUPSFRPRA-UHFFFAOYSA-N 420.683 5.546 0 1 HKAF C[C@@H]1CCCC[C@H]1Nc1ncc(-c2nc3ccccc3s2)c(-c2ccccc2)n1 82162546 WISIBYOHZWUDRW-VQIMIIECSA-N 400.551 6.411 0 1 HKAF CC[C@H](C)Cn1c(-c2ccsc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188261 GGKXTGYUHDAGIJ-IRXDYDNUSA-N 405.571 5.817 0 1 HKAF CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2Cc2ccc3ccccc3n2)cc1 84709375 JMWNWOSYPNBCHG-OAQYLSRUSA-N 419.572 6.983 0 1 HKAF CCOC(=O)c1c(-c2cccc(Oc3ccccc3)c2)[nH]c2cc(F)cc(F)c2c1=O 95554845 LHDIRUHVDNQTCZ-UHFFFAOYSA-N 421.399 5.442 0 1 HKAF Cc1ccc([C@H]2N(C)c3ccccc3C(=O)N2c2ccccc2Cc2ccccc2)s1 95584436 BZXFDSXQSJHTJZ-SANMLTNESA-N 424.569 6.443 0 1 HKAF O=C(Nc1ccccc1)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl 95584462 OCWMAHLLRCLAHY-UHFFFAOYSA-N 407.684 7.083 0 1 HKAF CSc1ccc(/C=C2/C(C)=C(CC(=O)OCCCCO)c3cc(F)ccc32)cc1 103225391 WPOOTVGBOPDCRM-BKUYFWCQSA-N 412.526 5.581 0 1 HKAF CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccccc2)C2=C(O)CC(C)(C)CC2=N1 103540215 UQKBVQLNMJEDSU-JOCHJYFZSA-N 401.510 5.473 0 1 HKAF Cc1cc([C@H](Nc2ccc(Cl)c(CN3CC(C(=O)O)C3)c2)C(C)C)ccc1Cl 118398142 KNMIOAVOLCHEST-OAQYLSRUSA-N 421.368 5.627 0 1 HKAF COc1ccc2[nH]c(-c3ccccc3)c(Cc3cc(OC)c(OC)c(OC)c3)c2c1 473106438 XGKXJYIZUOJWBW-UHFFFAOYSA-N 403.478 5.460 0 1 HKAF FC(F)(F)c1cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1Br 586883609 COVZTNVTAVOXJJ-SCLBCKFNSA-N 407.233 5.716 0 1 HKAF Cc1cnc(Cl)c2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)nc12 587069593 DHDRDTBYGMTYBT-CQSZACIVSA-N 421.328 5.382 0 1 HKAF Cc1onc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1COc1ccc(Cl)cc1 587076388 RVPRTRCPMCOCOS-UHFFFAOYSA-N 411.742 5.315 0 1 HKAF Cc1c(Br)cnc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c12 587083339 PDFMSUODQYUYNM-UHFFFAOYSA-N 408.086 5.551 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(F)c(F)c2[nH]1 587088188 UPYWSHNIPQZAMD-TWGQIWQCSA-N 419.262 5.872 0 1 HKAF COc1ccc2cc(Cc3c(C)nc4cccc5c4c3-c3ccccc3C5=O)ccc2c1 587108186 YTLGMWSMJZZMSQ-UHFFFAOYSA-N 415.492 6.507 0 1 HKAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 587151456 YVCOJKJKOHFHMY-RUZDIDTESA-N 423.491 6.483 0 1 HKAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc4c(c3[nH]2)CCCC4)c(O)c1 587240873 QOPHDJJLUDOKQD-UHFFFAOYSA-N 411.505 5.304 0 1 HKAF Nc1c(-c2nc3cc(Br)c(Br)cc3[nH]2)ccc2ccccc12 587254946 ZKTDYNIELFYRIB-UHFFFAOYSA-N 417.104 5.490 0 1 HKAF Nc1ccc2c(c1)-c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333031 HJHRLISSJUGTFU-AHKZPQOWSA-N 423.443 5.397 0 1 HKAF CC1(C)[C@@H]2CC[C@@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@@H]2N=O 587336265 MOJZFOLEZNOSOS-IECNHKFSSA-N 409.457 5.220 0 1 HKAF CSc1ccc2c(c1)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587372582 FKVVWMNKIOXOFW-ILBGXUMGSA-N 420.505 5.844 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)[C@H](c3ccccc3)C1)O2 587392548 BQMGUFHEGNLQLL-CPJSRVTESA-N 422.525 5.053 0 1 HKAF O=C1C[C@@]2(CCc3c(Br)ccc(F)c32)Oc2c1ccc1c2CCCC1 587502195 BUJYMPAQBIAEAP-OAQYLSRUSA-N 401.275 5.274 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(F)(F)F)c1OC 587502615 AMUAAVWDGWTMNG-SFHVURJKSA-N 406.400 5.308 0 1 HKAF C[C@@]1(c2ccc(I)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587506979 PNJLDBAZXKOIRX-FQEVSTJZSA-N 418.274 5.051 0 1 HKAF O=Cc1ccc(OCCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 587566286 FDFVNVSXGGFNEM-UHFFFAOYSA-N 402.294 5.035 0 1 HKAF Cn1c2ccccc2c2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587575594 GBRJFRCVMRODNJ-IGKIAQTJSA-N 421.452 5.740 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1ccccc1 587602101 IWZFDWIBPJFPGU-SQHAQQRYSA-N 408.453 5.492 0 1 HKAF Cc1cc(Br)sc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612692 KOGXGXKPOMKDRC-MAUKXSAKSA-N 417.280 5.228 0 1 HKAF CC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625190 DQBRNUPYAPSROY-UHFFFAOYSA-N 405.725 6.729 0 1 HKAF CCOC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccc(Br)cc1 587628368 MRAXULLNSDRUEL-UHFFFAOYSA-N 424.653 5.131 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(C(=O)OC)n(C(=O)OC(C)(C)C)c3)c(C)c2c1 587641008 DFFLUQMSQXCINP-AWEZNQCLSA-N 410.514 6.028 0 1 HKAF COc1c(Cl)cc(Cl)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587691132 CFVAEFHBSLKNCQ-ZKANADHPSA-N 419.121 5.527 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(Cl)c2Cl)N1 587693401 NIFKJDMUYLWAJQ-VGDKGRGNSA-N 405.094 5.224 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3cccc(Cl)c3)no2)N1 587698774 JHSOUWFMVDWZPB-APBUJDDRSA-N 421.697 5.520 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)c(C(F)(F)F)c2)N1 587713597 STVABSKJMFXWBU-HUTHGQBESA-N 420.219 5.544 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ncc2C(F)(F)F)N1 587714334 PKCSMUOFBQHFFW-MLXNANBUSA-N 423.635 5.279 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3F)o2)N1 587727596 OKGLLVWVXSHRHF-PRWKNARSSA-N 404.254 5.611 0 1 HKAF Cc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587756502 RRCPJUQLVMYWCZ-IVZQSRNASA-N 413.334 5.619 0 1 HKAF CC(=O)n1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587760134 XNLKEGSJWZFXEZ-GTJPDFRWSA-N 415.306 5.001 0 1 HKAF CCCOc1ccc(CC)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587798464 YCHFMUHYRRAUNG-LRTDBIEQSA-N 406.339 5.563 0 1 HKAF CC[C@H](C)c1ccc([C@@]2(CC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587814227 SEINDEGLXSIIRS-SMASLZHESA-N 404.367 6.290 0 1 HKAF CCc1ccc2oc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587827207 IIKQNNUYGIQKQL-LAJNKCICSA-N 402.307 5.695 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3oc4ccccc4c3c2)N1 587832478 JYEZKVZYPNLZHH-YTEVENLXSA-N 410.286 6.111 0 1 HKAF CC(C)c1cccc2c1OCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587833944 JBVPWMLMTVDPRV-LRTDBIEQSA-N 404.323 5.272 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cs2)N1 587849684 VHMMCLKIASRZRR-UOWDBTKRSA-N 405.130 5.036 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2cccs2)N1 587852409 KWABQXUTZJVKPQ-MPBGBICISA-N 402.332 5.940 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1C[C@H]1c1ccc(C)cc1 587857843 AJNHOXPBOBOOLG-IRXDYDNUSA-N 415.320 6.008 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(CCCc3ccc(Oc4ccccc4)cc32)N1 962938953 AUEHPYZNBHQUAK-WTYVLRPYSA-N 408.545 6.464 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Br)cc2N2CCCC2)N1 962957458 TYOJNJQKHVYBTH-ZHRRBRCNSA-N 424.386 5.544 0 1 HKAF COc1cccc2cc3c(nc12)[C@@H](c1ccc(OCc2ccccc2)c(C)c1)NCC3 963058789 QZADJGVLNONMRF-AREMUKBSSA-N 410.517 5.366 0 1 HKAF Cc1ccccc1CC[C@@]1(c2ccc(Cl)c(Cl)c2)NCCc2c(C)ccnc21 963078599 YJGWPMVUUJZYLS-DEOSSOPVSA-N 411.376 6.027 0 1 HKAF C[C@@]1(c2ccc(Oc3ccc(Cl)cc3Cl)cc2)NCCc2ccc(O)cc21 963340383 GSVCSOGZFANPKR-QFIPXVFZSA-N 400.305 5.901 0 1 HKAF CC(C)CCN1CC2=C(CC[C@H]3[C@@]2(C)CC[C@H]2[C@@](C)(C(=O)O)CCC[C@@]23C)C1=O 1772625807 UMWFLPKNTCIRHN-DNRDEDMTSA-N 401.591 5.279 0 1 HKAF CCN(CC)CCCN=c1[nH]c(/C=C/c2ccc(OC)cc2)nc2ccc(Cl)cc12 1857579089 MMKGIUWHQSXVLW-NTEUORMPSA-N 424.976 5.028 0 1 HKAF CC(C)c1ccc(NC[C@H](O)CNc2ccc(-c3nc4ccccc4o3)cc2)cc1 1857594241 MEMDECAXUSXCIN-QFIPXVFZSA-N 401.510 5.503 0 1 HKAF CC1(C)CC(Nc2nccc(Nc3ccc(-c4ccccc4)cc3)n2)CC(C)(C)N1 1857618115 FYPWDXFMTUKGGQ-UHFFFAOYSA-N 401.558 5.608 0 1 HKAF C/C(=C\Cc1c(O)c(C)c2c(c1O)C(=O)OC2)CC/C=C(\C)CCCC(C)(C)O 1857618161 MSVNFZWAKRWVFV-CFQQNRGVSA-N 402.531 5.233 0 1 HKAF S=C(Nc1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccc2c(c1)OCCO2 1857765643 BQJAXDLUOXTAPY-OAQYLSRUSA-N 415.518 5.006 0 1 HKAF CC[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)NC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 1911574400 SEDJNDCEFGRADD-OJELMSKVSA-N 412.662 6.420 0 1 HKAF OCc1cc(-c2ccc(Br)cc2)cc(C2C3CC4CC(C3)CC2C4)c1O 2356283633 VZAZCASRXFLHOA-UHFFFAOYSA-N 413.355 5.854 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]2(C)C1)C(C)C 2356404311 KCJIRIALUVVFBL-XDFBVFLGSA-N 412.702 7.945 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC=C2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 2356477937 MYQAIYGVAHDZRD-MEWZOWSLSA-N 408.670 7.641 0 1 HKAF CC(C)=CCCC(=CCCC(C)=CCC[C@@]1(C)C=Cc2cc(O)cc(C)c2O1)C(=O)O 2356478056 QKXAGRZCXAYBQX-MHZLTWQESA-N 424.581 7.129 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@@]3(C)[C@@H]4CC=C5[C@@H](CCC(=O)C5(C)C)[C@@]4(C)CC[C@@H]3[C@@H]2C1 2356481404 PAVVMAYETSJFLL-XHTMXALQSA-N 410.686 7.987 0 1 HKAF CC(C)=CCC[C@@]1(C)CC=C2CO[C@@]3(C)CC[C@@]2(O3)[C@@H]1C=COC(=O)C=C(C)C 2356620772 DYJKAEXCVPJAAQ-WUEDSLEZSA-N 400.559 6.004 0 1 HKAF COc1cc(OC)c2c(c1-c1ccc(OC)c3c(OC)cccc13)C[C@H](C)N(C)[C@H]2C 2356708289 JTWIKSOWCMKKAL-HOTGVXAUSA-N 421.537 5.479 0 1 HKAF CC(=C[C@H](C)CCC(=CCl)Cc1ccccc1)C(=O)N[C@@H](C)c1nccs1 2356799766 UVEMTFXECCTWBX-AEFFLSMTSA-N 402.991 6.048 0 1 HKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@]4(C)C5=C(CC[C@H]4C3=CC[C@@H]12)COC5=O 2356802193 RYESOEGRPGIGRS-DEUWXWQDSA-N 412.570 5.372 0 1 HKAF CCCCCC=CC=C[C@H](O)CC=CCCCCC(=O)c1c(O)cc(O)cc1O 2356805291 ZRHBIPGFXDBANR-IBGZPJMESA-N 402.531 5.546 0 1 HKAF O=C(Nc1cccc(Cl)c1)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1[C@H]2Cc1ccccc1 203468105 IELIOODNGWJBMA-FRPFDOCJSA-N 424.972 5.763 0 3 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccc(F)cc1)Oc1c(F)cccc1-3 13527183 DMQJLSXVZBXUEJ-XKZIYDEJSA-N 401.456 7.130 0 1 HKAF Nc1n(Cc2ccccc2)c2ccccc2[n+]1CCCCCCCCCCC(=O)O 13560573 XYYGCLOKHJISBP-UHFFFAOYSA-O 408.566 5.155 0 1 HKAF O=C(O)CCCCCCCCOc1ncc(-c2ccccc2)c(-c2ccccc2)n1 13727554 NZFGYBHULCRIHN-UHFFFAOYSA-N 404.510 6.005 0 1 HKAF COc1ccc(-c2ccccc2[C@@H]2[C@@H]3C=CCC[C@@]3(C)C(=O)N2Cc2ccccc2)cc1 13829779 HSBMVFCIUCQNEN-YIKNKFAXSA-N 423.556 6.418 0 1 HKAF CCN(Cc1ccccc1)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)N(C)C 13862482 HAYKFVZFEXHGSQ-UHFFFAOYSA-N 423.560 5.626 0 1 HKAF CC(C)OC(=O)Nc1nc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2s1 28466815 LEUDAVIJXNXMSV-UHFFFAOYSA-N 424.309 5.812 0 1 HKAF CC(C)Oc1ccc(Nc2c(C(N)=O)cnc3cc(-c4ccncc4)ccc23)cc1F 28959943 UFGGXCHHCHMEKD-UHFFFAOYSA-N 416.456 5.066 0 1 HKAF O=C(CCCN1CCC2(CC1)Oc1ccccc1[C@@H]2n1cccc1)c1ccc(F)cc1 29318155 CRXUEYXFQUPLTA-VWLOTQADSA-N 418.512 5.107 0 1 HKAF C[C@H](CN1CCCC[C@@H]1CCC1CCCCC1)c1cccc(C(=O)c2ccccc2)c1 29413115 RTGQEPZLTBYSMQ-QDPGVEIFSA-N 417.637 7.236 0 1 HKAF CCC1=C(c2ccccc2)c2ccc(OC[C@@H](O)CO)cc2Sc2ccccc21 33889743 ZGXGFEVDBDINAN-SFHVURJKSA-N 404.531 5.252 0 1 HKAF CCc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 36323646 DOCORIWGLZNMHN-VMPREFPWSA-N 410.605 5.634 0 1 HKAF Cc1ccccc1NC(=S)N[C@@H]1CC(C)(C)Oc2ccc(Br)cc21 40881141 GBPVKXFHTCWMGE-MRXNPFEDSA-N 405.361 5.346 0 1 HKAF N=C(N)c1ccc2oc(-c3ccc(OCCCCOc4ccccc4)cc3)cc2c1 43064103 RHDZQIFBYZCHON-UHFFFAOYSA-N 400.478 5.622 0 1 HKAF COc1cnc(CC[C@H](O)c2nccc3c2[nH]c2ccccc23)c2[nH]c3ccccc3c12 49054089 GTZRIYMZERYQDX-NRFANRHFSA-N 422.488 5.420 0 1 HKAF biogenic COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc2ncccc12 49111638 DBQKUCDYLFRUAO-XHCCPWGMSA-N 414.549 5.951 0 1 HKAF O=C1c2ccccc2C(=O)N1CCCCCCCCCCOc1cccc(Cl)c1 58569337 TVULDHVBCJXFHL-UHFFFAOYSA-N 413.945 6.136 0 1 HKAF COc1c(C)c(C)c2c(c1C)C=C[C@@](C)(COCc1cc(-c3ccc(O)cc3)no1)O2 72114120 YVNUJMFSFOSYDA-VWLOTQADSA-N 421.493 5.362 0 1 HKAF Nc1nc2c(c(-c3ccc4ccccc4c3)n1)CCC/C2=C\c1ccc2ccccc2c1 72177391 JKHCVEYFQQUFOO-JJIBRWJFSA-N 413.524 6.909 0 1 HKAF O[C@](c1ccc(Cl)cc1)(c1ccc(C(F)(F)F)cc1)c1ccc2ncccc2c1 72185763 ULWZTGOYIIDPTR-QFIPXVFZSA-N 413.826 6.191 0 1 HKAF CN(C)CCCOc1ccc(-c2nnc3ccc(-c4ccc(F)c(Cl)c4)cn23)cc1 82082093 PBDPBUZJQKTGQC-UHFFFAOYSA-N 424.907 5.186 0 1 HKAF CCN(Cc1ccccc1)C(=O)c1cnc(NC2CCCC2)nc1-c1ccccc1 82133826 IJQDXNJNZYYROK-UHFFFAOYSA-N 400.526 5.160 0 1 HKAF Cc1cccc(-c2nc(NCC3CC3)ncc2C(=O)N(Cc2ccccc2)C(C)C)c1 82147203 JDBPSEGMZQXATF-UHFFFAOYSA-N 414.553 5.325 0 1 HKAF COc1ccc(Cl)cc1-c1cc(NCc2ccc(OC(F)(F)F)cc2)ncn1 82160890 RRKOTOIEURNDPX-UHFFFAOYSA-N 409.795 5.316 0 1 HKAF CC(=O)N[C@H](C)c1ccc(Nc2ncc3cc(-c4ccncc4)c(Cl)cc3n2)cc1 95586172 WZPNFHSAINJZCW-CQSZACIVSA-N 417.900 5.286 0 1 HKAF C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(-c3cncs3)nc2c1 95601787 LBUUHNZXSNNMFD-AWEZNQCLSA-N 415.474 5.511 0 1 HKAF O=C(N[C@@H]1C[C@@H]2CCCC[C@@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1)C1CC1 103247463 LJWRPLIFMNTPGE-IMIIULOTSA-N 404.529 5.622 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(Oc2ccccc2)c1 103270585 LBXKVIGIHUOZPR-QFIPXVFZSA-N 417.505 5.750 0 1 HKAF CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(C)o2)C2=C(O)CC(C)(C)CC2=N1 104005567 AYKGWMOQYAHDMK-DEOSSOPVSA-N 419.521 5.818 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CCC(C)(C)O2 118924103 JSDSJUPEGNNVNX-IVZMJNMDSA-N 400.647 6.966 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@]5(CCC(=O)O5)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 141920055 HXUJPLQVDFWGRC-CIXSCLCOSA-N 405.582 6.193 0 1 HKAF Clc1ccc2sc(-c3ccccc3)c/c(=N\CCCCC3CCCCC3)c2c1 169316292 HQXVUUWDZPRQAP-SLEBQGDGSA-N 410.026 7.873 0 1 HKAF COc1c(Cl)c(C)c(Cl)c2c1[C@@H]1c3c(C=O)c(O)cc(O)c3C[C@H]1C(C)(C)O2 169382769 ANCGXXHYXGKUAF-ABAIWWIYSA-N 423.292 5.009 0 1 HKAF Cc1cc(C)cc(S(=O)(=O)c2cnc3ccc(C)cc3c2N2CCC(C)CC2)c1 201537073 JHYKVZQDRBHMGZ-UHFFFAOYSA-N 408.567 5.229 0 1 HKAF C[C@H](Nc1ccccc1)[C@H]1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 261186043 XKXGPCJOUDRYIM-MPGHIAIKSA-N 424.894 6.148 0 1 HKAF O=[S@](c1ccccc1C(F)(F)F)c1c(O)c(-c2cccnc2)cc2ccccc12 299833337 KQGICBXGZDTONC-GDLZYMKVSA-N 413.420 5.793 0 1 HKAF O=C(c1ccc(-c2ccc(-c3ccccc3)cc2)o1)N1CCc2c([nH]c3ccccc23)C1 299840685 YOLYWOUGECUGPI-UHFFFAOYSA-N 418.496 6.293 0 1 HKAF COc1ccc2ccc(=O)oc2c1C1=NN(c2ccccc2)[C@@H](c2cccs2)C1 299858600 DWYYOYWSIGOLNV-GOSISDBHSA-N 402.475 5.219 0 1 HKAF O=S(=O)(c1ccc(Cl)cc1)c1sc2ncccc2c1-c1ccc(F)cc1 299871427 YNADFDNITQRNNK-UHFFFAOYSA-N 403.887 5.589 0 1 HKAF COc1cc(OC)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1Cl 586993799 PMMYNPBBKUOAIQ-UHFFFAOYSA-N 415.876 6.092 0 1 HKAF Cc1ccc(-c2nc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)cs2)o1 587016479 MCQYNOZUUMIAMF-UHFFFAOYSA-N 400.332 5.304 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3cnc4ccccc4c3[nH]2)C[C@H]2CCCC[C@@H]21 587027201 QNDCYPVCUYNZQL-CZAAIQMYSA-N 416.550 5.248 0 1 HKAF Clc1ccc(-c2cc(-c3nc4ccc(Br)nc4[nH]3)ccc2Cl)cc1 587048380 USPYGGFTSWLTDB-UHFFFAOYSA-N 419.109 6.361 0 1 HKAF CCCCNS(=O)(=O)c1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1 587054220 NBENVZHMJXKXHZ-YFHOEESVSA-N 424.353 5.119 0 1 HKAF Cc1onc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)c1COc1ccc(Cl)cc1 587074973 CHVSZFWKYMLHPL-UHFFFAOYSA-N 423.778 5.657 0 1 HKAF FC(F)(F)Oc1cccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 587082766 VIJQBQYBGBEMGX-UHFFFAOYSA-N 408.767 5.015 0 1 HKAF CO[C@@H]1C[C@@H](c2ccccc2)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587099930 YEQQNPPDOWFYHY-FDDCHVKYSA-N 405.497 6.172 0 1 HKAF Cc1cc(-c2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)ccc1F 587104639 ZUFDGCWIUDBERI-UHFFFAOYSA-N 415.467 7.228 0 1 HKAF CC/C=C\C[C@@H]1c2nc3cccc4c3c(c2C[C@@H]1CC(=O)OC)-c1ccccc1C4=O 587105978 CTDKYTATLLYGLI-UIZHIOIMSA-N 411.501 5.622 0 1 HKAF CCOc1cc(/C=C\c2nc3cc(Cl)c(F)c(F)c3[nH]2)ccc1OC(F)F 587130653 NOIVMMBXMARFRX-XQRVVYSFSA-N 400.759 5.665 0 1 HKAF Cc1cc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144527 KLGUNYHNIYSDNI-UHFFFAOYSA-N 416.786 5.974 0 1 HKAF CCc1ccccc1NC(=O)c1nc2cc(Br)c(C(F)(F)F)cc2[nH]1 587241243 RUZLCVIKDVJROM-UHFFFAOYSA-N 412.209 5.159 0 1 HKAF Cc1ccccc1[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351077 FYMIGLHLONKGIE-JYFHCDHNSA-N 404.481 6.140 0 1 HKAF CC(C)c1ccc2c(c1)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355827 WOLFAUYAWOODSJ-BDYUSTAISA-N 416.492 6.245 0 1 HKAF CCn1c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)nc2ccccc21 587362352 IEFYMTUIEQZHBF-UHFFFAOYSA-N 419.484 6.693 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(Cl)cc1 587379995 NMXSTGRYBJFPOP-QHCPKHFHSA-N 423.896 5.525 0 1 HKAF COc1cc2c3c(c1)O[C@@](Cc1ccc(F)cc1)(c1ccccc1Cl)[C@@H](C2)C3=O 587427908 JRKBQHJXZCEGSV-CYFREDJKSA-N 408.856 5.373 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCC)(c1cn(CC(=O)O)c3ccccc13)CC2=O 587468796 BCXZFUODPWKSSW-VWLOTQADSA-N 421.493 5.045 0 1 HKAF O=C1C[C@@](c2ccccc2)(c2cccc3cnccc23)Oc2c1ccc1c2CCCC1 587516555 YDAMMRCCZFAOQO-MUUNZHRXSA-N 405.497 6.023 0 1 HKAF CSc1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 587533109 QZRVQUONLTZCBF-RUZDIDTESA-N 400.543 6.661 0 1 HKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccccc1O[C@H]2c1ccccc1 587536042 QUIGCCDJZOOKSG-RRPNLBNLSA-N 410.469 5.286 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)F)c(Cl)c1 587553174 FBVKWEOQEXPPFP-PXNSSMCTSA-N 418.779 5.350 0 1 HKAF CCOc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(C)C 587596060 MZWQYGPTWPUJDW-ZEQKJWHPSA-N 418.489 5.926 0 1 HKAF CCCCCCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587597728 RSCFKKYOIZFVNB-BVAGGSTKSA-N 418.489 6.054 0 1 HKAF C[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601118 DTWWTTSDPUNWLD-IGKIAQTJSA-N 408.453 5.936 0 1 HKAF CCCCCc1ccc([C@]2(CC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587603943 SLQAJMDSVHNKSN-IGKIAQTJSA-N 416.517 6.392 0 1 HKAF CCOC(=O)c1c(-c2cc(F)c(Cl)nc2Cl)[nH]c2cc(Cl)c(F)cc12 587629020 CXAPVZJVTXAXGG-UHFFFAOYSA-N 405.615 5.645 0 1 HKAF Fc1cccc2[nH]c(-c3ccc(Br)cc3)c(-c3nc4ccccc4[nH]3)c12 587632265 ILMWLDOAAWOYJJ-UHFFFAOYSA-N 406.258 6.280 0 1 HKAF CCCCn1nc(C)c(Cl)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587694291 GSGKCZHZQOVFQZ-BMLIUANNSA-N 414.750 5.170 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2cccc(Cl)c2)N1 587699609 LCPHJPZABOVANG-KTNZYGIESA-N 423.757 5.095 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccccc3)s2)N1 587851229 BJAIAYAXGCQEOF-ZMZPIMSZSA-N 403.320 5.335 0 1 HKAF CCOc1ccc(CC(=O)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)cc1 587859317 VTCFWIVNCTVZPV-UHFFFAOYSA-N 419.308 5.537 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc3ccc(Cl)nc23)N1 587859333 VYHBJXRZHYSQJH-RBHXEPJQSA-N 411.727 5.475 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2cc(C)c(C)cc2s1 587869231 DNTOEKNQJIDKPD-UHFFFAOYSA-N 404.417 5.188 0 1 HKAF C[S@@](=O)c1ccc([C@H](CC2CCCC2)c2[nH]c3ncccc3c2C=O)cc1Cl 653780436 CHBZCDLDPNYPDM-YMGMXPECSA-N 414.958 5.478 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(C)[C@@]12C[C@@H]3C[C@H]1C[C@@H](C3)C2 961752098 UXQKCWOXXFHDOE-MCVCTAOYSA-N 422.613 5.879 0 1 HKAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@H]2CCc1cccc(C(F)(F)F)c1 962697058 BFCBAMRAFCGDIU-UWJYYQICSA-N 409.492 5.882 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(CC(C)C)cc2)(c2cccs2)N1 962944225 HICGPVDWUJKFSN-KDYSTLNUSA-N 414.618 6.644 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CC(=O)c2ccccc2O)(c2ccccc2)N1 962946769 JEODYUVQBNHEMM-WINIVTDRSA-N 410.517 5.314 0 1 HKAF CCCCCn1cccc1[C@]1(c2cccc3ccccc23)NCCc2c(C)ccnc21 963068393 KPQRCINIFREJOX-NDEPHWFRSA-N 409.577 5.973 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H]1c2c(F)cccc2C[C@H]2CCCN21 963090084 HTDSLNUQYCTHTP-LSWJPFSZSA-N 410.533 5.023 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cccc(-c2ccc(C(=O)OC)cc2)n1 963228188 KYZKDWSBFKXGOI-BVZFJXPGSA-N 400.522 5.281 0 1 HKAF O=C(CCCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)NC1CCCCCC1 1772576845 WIGYRLIMKRSODT-UHFFFAOYSA-N 423.000 6.505 0 1 HKAF COc1ccc(-c2c(Nc3cccc(C(F)(F)F)c3)c3ccccc3oc2=O)cc1 1772620286 KUGXHNBWQIFGHK-UHFFFAOYSA-N 411.379 6.231 0 1 HKAF Oc1ccc2c(c1)-c1nc(-c3ccccc3C(F)(F)F)cc(-c3ccccc3O)c1C2 1857578998 JSQHEJNMEYLASH-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF CC(C)C=C[C@@H](C)C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356470886 HDXBTNHKWSEULV-PYYRWUFESA-N 412.702 7.801 0 1 HKAF CC1=C[C@H](CNCc2ccccn2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 2356493912 KJWFYERPERHVLL-ZDXQCDESSA-N 416.569 5.319 0 1 HKAF COc1ccc(-c2coc3c(CC=C(C)CCC=C(C)C)c(O)cc(O)c3c2=O)cc1 2356522761 RWUBJKHMUVFQCA-UHFFFAOYSA-N 420.505 6.115 0 1 HKAF COC(=O)c1[nH]cc2c1[C@@]1(CN(C)c3ccc(C)cc31)c1[nH]c3ccc(Cl)cc3c1-2 2356575154 CRTBGKVHQDSSDQ-DEOSSOPVSA-N 417.896 5.009 0 1 HKAF CC(C)[C@@H]1CC[C@@H]2[C@@H]1CC[C@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C 2356615014 RNHGVUKUAAZWMB-FYZMTWADSA-N 412.702 7.635 0 1 HKAF CC(C)[C@@H](O)CC[C@@H](C)[C@@H]1CC=C2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356631909 SAXMHLJORFYZHZ-NLZXCJQKSA-N 418.662 5.330 0 1 HKAF COc1cc(OC)c2c(-c3cccc(-c4ccc(F)c(Cl)c4)c3)cc(=O)oc2c1 34114907 XAKCZRSYPNIQIF-UHFFFAOYSA-N 410.828 5.937 0 3 HKAF C[C@@]1(C(=O)Nc2ccccc2Cc2ccccc2)CCN1Cc1ccccc1Cl 61908675 BDMRWNVDNCBAPO-VWLOTQADSA-N 404.941 5.534 0 3 HKAF Cc1ccc(CNC(=O)[C@]2(C)CCC[C@@]3(C)[C@H]4CC[C@@]5(C)C[C@]4(CC[C@H]32)CC5=O)cc1 61959356 SCGLVFUCAHFLMI-IXUIVVTISA-N 421.625 5.983 0 3 HKAF O=C(O)c1cccc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 3949382 LVEWBMDPAYFEFT-UHFFFAOYSA-N 414.888 6.951 0 1 HKAF CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)Cn1c(-c2ccc(F)cc2)[n+](C)c2ccccc21 13305070 XICGSKNNKYSGSQ-VNZMSGEBSA-N 423.552 5.276 0 1 HKAF CC(C)c1ccc2c(c1)c(CC(=O)Nc1ccncc1)cn2Cc1ccc(F)cc1 13556635 OAKAOSHXIKZREQ-UHFFFAOYSA-N 401.485 5.528 0 1 HKAF COc1ccccc1CCCCC[C@H](Oc1ccc(Cc2ccccc2)cc1)C(=O)O 13907551 OPJJDESFQQIJNX-SANMLTNESA-N 418.533 5.921 0 1 HKAF investigational O=C(O)c1ccc2c(c1)[C@@H](SCCn1cnc3ccccc31)c1ccccc1CO2 27079893 JWWLSTKCEZOZMX-QHCPKHFHSA-N 416.502 5.150 0 1 HKAF c1cn(CCCCCn2ccc(=NC3CCCCC3)cc2)ccc1=NC1CCCCC1 29228639 OFZVOUVHRLDBKW-UHFFFAOYSA-N 420.645 5.627 0 1 HKAF Cc1ccc([C@H](C(=O)NCCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 40408309 WIYSIMPCTASBLD-GDLZYMKVSA-N 419.568 6.465 0 1 HKAF Cc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(Br)cc32)cc1 40875078 MEIWTPWPFSMVPA-INIZCTEOSA-N 405.361 5.346 0 1 HKAF CC(=O)N[C@@H](C)c1ccc(-c2ccc(Oc3ccc(OC(C)C)cc3)cc2C)c(C)c1 45318646 IOVJFHDRCUVSHG-FQEVSTJZSA-N 417.549 6.747 0 1 HKAF CCCO[C@@H](c1ccc(Cl)cc1Cl)[C@@H](SC(C)(C)C)n1cnc(C)c1 45386431 CBJSFRYJPRQSJM-ZWKOTPCHSA-N 401.403 6.697 0 1 HKAF COc1ccc([C@@]23Cc4ccccc4[C@@H](O2)c2c(cc(-c4ccccc4)oc2=O)O3)cc1 66166746 XKFOKEDGBLGUGQ-XNMGPUDCSA-N 424.452 5.223 0 1 HKAF C[C@@H]1CCCC[C@@H]1Nc1ncc(-c2nc3ccccc3s2)c(-c2ccc(F)cc2)n1 82164186 DCLKPKYPAPAESH-BEFAXECRSA-N 418.541 6.550 0 1 HKAF Cc1nc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccccc2F)oc1C 82175028 LDMCIMPBFNEISF-UHFFFAOYSA-N 406.436 5.348 0 1 HKAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccnc(Oc4ccccc4)c3)C2)cc1 96172905 NRYLLTRKKUGCPL-GOSISDBHSA-N 402.494 5.224 0 1 HKAF Cc1ccc(Oc2ccc(-c3ccn4c(CC5CC5)nnc4c3C)cc2Cl)c(C)n1 114485745 BIQNBHANPGMDHM-UHFFFAOYSA-N 418.928 6.115 0 1 HKAF C[C@@H](N[C@@H]1CCCN(c2cccc(OC(F)(F)F)c2)C1)c1cccc2ccccc12 118894660 VKGWUDWKOITHRM-IEBWSBKVSA-N 414.471 6.058 0 1 HKAF Cc1cc(O)cc2c1O[C@]1(C)CC[C@H]3[C@@](C)(CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]43C)[C@@H]1C2 138514780 LRMHPGVONLYGQD-JUJQBHKVSA-N 412.614 6.024 0 1 HKAF C[C@@H](c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1)N1CCCCC1 165475428 WBKBOJJKNZSLIG-HNNXBMFYSA-N 404.535 5.662 0 1 HKAF FC(F)(F)Oc1ccc(Cl)c(CN[C@@H]2CC[C@H]3CC[C@@]2(c2ccccc2)N3)c1 169354131 QJLPTGTXRGEKCS-DBVUQKKJSA-N 410.867 5.138 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C)C(C)C 255287511 ZOZMTYFCEAAVIH-KBYCVNFISA-N 412.702 7.945 0 1 HKAF FC(F)(F)Oc1cc(Br)c2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 586882859 CLUZLYKRBSFRLG-PRTSGDIISA-N 415.253 5.692 0 1 HKAF CC(C)(C)c1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 586961847 YJIMJFHGXBWDAB-LJAQVGFWSA-N 402.563 5.899 0 1 HKAF Nc1nc(-c2ccccc2)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)s1 586993095 DVYCTQBJVTUBOK-UHFFFAOYSA-N 421.481 5.525 0 1 HKAF COc1cc2nc(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)[nH]c2cc1Cl 587083014 YXZBABURWVPOIS-UHFFFAOYSA-N 424.287 6.662 0 1 HKAF COC(=O)CCc1c(-c2ccccc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587096625 FVIXSJMOUPIOHD-UHFFFAOYSA-N 407.469 5.527 0 1 HKAF COc1ccc(Cc2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)cc1OC 587097750 NXFBSZILTRXVPV-UHFFFAOYSA-N 409.485 5.671 0 1 HKAF CC(=O)c1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587111683 RBHCUXVZJITKOL-UHFFFAOYSA-N 400.322 5.588 0 1 HKAF Cc1cc2[nH]c(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)nc2c(C)n1 587121378 AIAQYPKSUBCFDB-UHFFFAOYSA-N 404.417 5.572 0 1 HKAF Cc1ccc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c2c1C 587121444 DTFUDGNDUMZHLM-UHFFFAOYSA-N 403.429 6.177 0 1 HKAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2c(F)cnc(Br)c2[nH]1 587151330 XEMVYTZAAZVMEK-HNNXBMFYSA-N 415.241 5.200 0 1 HKAF CC[C@H](Oc1ccccc1F)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587156598 XBRYQJPDEUSNTI-AWEZNQCLSA-N 417.200 6.013 0 1 HKAF Cc1cc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c2cc1Br 587163435 PNJCPUAGRUIKOW-UHFFFAOYSA-N 424.273 5.692 0 1 HKAF Cc1cc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2cc1Br 587218535 JISPFTQRBSAEIO-HXUWFJFHSA-N 420.310 5.153 0 1 HKAF C[C@@]1(c2nc(C(F)(F)F)cs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327061 DRPOXJXSZYISIZ-VQIMIIECSA-N 423.387 5.281 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCc3cccc(Cl)c3C2)[C@H]1c1ccc(F)cc1 587328924 KXBSHRQOWXNXDE-LADGPHEKSA-N 408.856 5.471 0 1 HKAF Cc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc12 587357076 SFIQGECCYDTAPC-XNMGPUDCSA-N 412.460 6.267 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Nc3nc4ccccc4s3)cc1)O2 587412402 BUGXURPYPUSHKA-DEOSSOPVSA-N 415.518 5.811 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(Cl)[nH]c4ccc(Br)cc14)[C@@H](C2)C3=O 587416868 GNEKKHLYZOCLPB-SGTLLEGYSA-N 418.674 5.081 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1sc(Sc4ccccc4)nc1Cl)[C@@H](C2)C3=O 587453212 WBNKMOJSHMWPIE-SUMWQHHRSA-N 415.923 5.445 0 1 HKAF O=C1C[C@@H](c2ccc(OCc3ccccc3)c(Cl)n2)Oc2c1ccc1c2CCCC1 587502141 TYEHYNNZHKLAHZ-QHCPKHFHSA-N 419.908 5.899 0 1 HKAF O=C1C[C@@](c2ccc(F)cc2)(c2cnc3ccccc3c2)Oc2c1ccc1c2CCCC1 587509294 RDRAKXYKIRUKSA-MUUNZHRXSA-N 423.487 6.162 0 1 HKAF CC[C@]1([C@H]2CCCCN2C(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587517228 JMAJSVYYXPVPCX-PXDATVDWSA-N 413.558 5.469 0 1 HKAF C[C@H]1N(C(c2ccccc2)c2ccccc2)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517670 RVFZELLPBYKTDH-ACSYHNTCSA-N 423.556 5.763 0 1 HKAF COc1ccc(Sc2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531770 JIYXPAQLQLRNSG-XMMPIXPASA-N 416.542 6.432 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1Cc1ccc(Cl)c(Cl)c1 587547927 VJUFWDZQBGNJCH-OALUTQOASA-N 401.245 5.272 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(CN2CCCCC2)cs1 587613603 OCAAKWMFSODXID-URXFXBBRSA-N 421.518 5.143 0 1 HKAF Cc1cc(Cl)cc2c(CN3C(=O)c4ccccc4C3=O)c(-c3ccccc3N)[nH]c12 587627099 NYOQTQRSQWJYKP-UHFFFAOYSA-N 415.880 5.175 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccc(Cl)cc3)on2)N1 587697770 MQKNIIDRYAWZDJ-OVWNDWIMSA-N 421.697 5.520 0 1 HKAF CC[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587709881 CUSCTECYXHVDJH-VOJFVSQTSA-N 416.256 5.795 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cccc2C(F)(F)F)N1 587711492 KTCRGQZLOLUOFI-PWJLMRLQSA-N 422.647 5.884 0 1 HKAF CC[C@]1(c2cc(F)c(OC)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587721561 PKPOYVASJIFPLG-GIGQVBGESA-N 414.265 5.063 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(Cc3ccccc3)CC2)N1 587766911 OWRXRQXBEBRSMB-OPAMFIHVSA-N 417.366 5.004 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccsc2Br)N1 587841811 CQRWPUPULOGLRD-FUXBKTLASA-N 405.130 5.036 0 1 HKAF Cc1ccc(-c2noc(-c3cccnc3-n3nc4cc3Oc3ccc(F)cc3-4)n2)cc1 587874966 KJCMTVJRHPWSIN-UHFFFAOYSA-N 411.396 5.205 0 1 HKAF Cc1cc(OCc2cc3cc(F)ccc3[nH]2)ccc1-c1ccc(S(C)(=O)=O)cc1 618017515 RUYVGBHYLSXUPO-UHFFFAOYSA-N 409.482 5.265 0 1 HKAF O=C(Cc1cc(Cl)cc(Cl)c1)N1CCC[C@@H](c2nc3cccc(Cl)c3[nH]2)C1 1772570106 REVIQQAYPUCGSM-CYBMUJFWSA-N 422.743 5.472 0 1 HKAF Cc1nn(Cc2ccc(-c3ccccc3)cc2)c2nc(-c3ccco3)cc(C(=O)O)c12 1772590147 VCOKWPGYJIDRHC-UHFFFAOYSA-N 409.445 5.413 0 1 HKAF Fc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3c4cc5c(cc4CCN32)OCO5)cc1 1772651969 WAEVDQMBMRSJAV-ATIYNZHBSA-N 412.464 5.281 0 1 HKAF C=CC(CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)=C(C)C 2356801113 RIXVWIRLMZEPNM-HQIMOVAUSA-N 412.702 7.945 0 1 HKAF C[C@@]12CC[C@@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@@H]4CC[C@]3(C[C@H]1NCc1ccccc1)C2 36387880 RWRHJRIJKIVYFB-DDTYRZRBSA-N 409.614 6.032 0 3 HKAF CC(C)N(C[C@H](O)COc1cccc2ccccc12)C(=O)c1cccc2ccccc12 771831 WEWCFNDQZHZLFP-QFIPXVFZSA-N 413.517 5.284 0 1 HKAF CC[C@@H](O)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1cccc2ccccc12 774674 WFCCUWGDGCTJDX-MRXNPFEDSA-N 420.896 5.316 0 1 HKAF CC(C)c1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@H]2CCCC[C@H]2O)cc1 774949 AKOHLYKIBYNFQB-LEWJYISDSA-N 422.500 5.304 0 1 HKAF Cc1ccc(NC(Nc2ccc(C)cc2C)=C(/C=C(\Cl)[N+](=O)[O-])[N+](=O)[O-])c(C)c1 1856734 HONRPGCBNDNNAV-YBFXNURJSA-N 416.865 5.247 0 1 HKAF C[C@@H]1C(=O)c2c(c3c(c4c(-c5ccccc5)cc(=O)oc24)OC(C)(C)C=C3)O[C@@H]1C 3874988 YRHQANFINIANSK-UONOGXRCSA-N 402.446 5.244 0 1 HKAF biogenic,in-vitro CC(=CC(C)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 4273559 TYWYLEHJUMGPDQ-UHFFFAOYSA-N 416.437 6.061 0 1 HKAF biogenic C[C@@H]1CC[C@]2(C)CC[C@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2[C@@H]1C 13375703 JUMCLWDAFILWKD-CVNAEIPSSA-N 424.713 8.233 0 1 HKAF biogenic O[C@@H](CCN1CCN(c2ccc3sccc3c2)CC1)c1csc2ccccc12 13491142 NWAOYZLUBBEZAL-NRFANRHFSA-N 408.592 5.362 0 1 HKAF O=C1C=Cc2ccccc2C1=C1SC(Nc2ccccc2)=NN1c1ccc(F)cc1 15936247 HOMQWIPQMBHPQO-UHFFFAOYSA-N 413.477 5.727 0 1 HKAF O=C(NCc1ccc(-c2cccs2)s1)[C@H]1CCC[C@@H]1NCc1ccc(F)cc1 28359164 NQDXPBAAPDZQIS-OALUTQOASA-N 414.571 5.190 0 1 HKAF CCCc1c(OCCCOc2cccc3c2ccn3CC(=O)O)ccc2cc[nH]c12 28562958 CGCPCNSRHIHPCV-UHFFFAOYSA-N 406.482 5.008 0 1 HKAF c1ccc(Cn2c(SCc3ccc4ccccc4c3)nnc2-c2cccs2)cc1 28976729 QKGKRXVFIUJZHE-UHFFFAOYSA-N 413.571 6.500 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O 31540501 UROPIWALBBMYRP-CEIFOQQWSA-N 420.678 5.554 0 1 HKAF CCn1ncc(-c2ccncc2)c1-c1ccc(OCc2ccc3ccccc3n2)cc1 38209740 UFBIOSDYTOETCT-UHFFFAOYSA-N 406.489 5.759 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C4=CC[C@@H]5C(C)(C)CCC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 70451139 DLEIYVDJTDXZOP-VZVIALHLSA-N 410.730 9.198 0 1 HKAF biogenic,in-vitro O=C(Nc1ccc(Oc2ccc3ccccc3c2)c(Cl)c1)c1cc(Cl)ccc1O 72112305 KZWFIRTXBMVQSC-UHFFFAOYSA-N 424.283 6.897 0 1 HKAF CCc1cnc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccccc2F)s1 82175446 LDZCIZSMYREINZ-UHFFFAOYSA-N 424.932 6.234 0 1 HKAF Cc1cnc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccccc2F)o1 82175462 VTCWMGLFJRZPLJ-UHFFFAOYSA-N 416.500 6.156 0 1 HKAF Cc1ccccc1-c1nc(NC[C@@H]2CCCO2)ncc1-c1nc2ccccc2s1 82177376 FGVQGLFWOMSTGY-INIZCTEOSA-N 402.523 5.320 0 1 HKAF COc1cc(C(=O)c2c(-c3cccc(F)c3)[nH]c3ccccc23)cc(OC)c1OC 95595061 IBVCXJRKOCVSIR-UHFFFAOYSA-N 405.425 5.231 0 1 HKAF CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccsc2)C2=C(O)CC(C)(C)CC2=N1 103540165 MFOGKZSNALSOSH-HXUWFJFHSA-N 407.539 5.535 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118923944 AMNBDMZNFAQUHN-ZJPBYVRLSA-N 402.707 7.715 0 1 HKAF C[C@@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 118936876 VCYNHQOAZQMPOJ-KRGNGILBSA-N 413.646 5.575 0 1 HKAF endogenous,in-man CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 136257098 ZNGXDHQRMXNICE-WVVGHYSUSA-N 402.707 7.859 0 1 HKAF NC[C@H](c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1)C1CCCC1 164926922 HGZMHPCCIFOABP-SFHVURJKSA-N 404.535 5.348 0 1 HKAF COc1ccc(OC[C@@H]2c3ccccc3CCN2C(=O)c2cccc(Cl)c2)cc1 199208570 NLMPXVGGFDLRCJ-HSZRJFAPSA-N 407.897 5.167 0 1 HKAF Clc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c(C3CCNCC3)cc12 220406231 AMNZWGUSHKKRQG-UHFFFAOYSA-N 417.944 5.357 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4nc(Br)ccc4[nH]3)cc2)CC1 586881376 VHCXPXGOEBNOBW-WKILWMFISA-N 412.375 6.851 0 1 HKAF CCCCCOc1cc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2cc1Br 586896050 HPOVOHZQQJSPIF-UHFFFAOYSA-N 415.331 5.680 0 1 HKAF COc1ccc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c2c1 586918746 RTUSKPSHOQFMFP-UHFFFAOYSA-N 418.493 5.231 0 1 HKAF FC1(F)Oc2cc3nc(-c4cc(Cl)cc(Cl)c4Br)[nH]c3cc2O1 586974123 BKXQHOKMRRYPSL-UHFFFAOYSA-N 422.012 5.621 0 1 HKAF O=C(Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1)c1ccc(Br)cc1 586984543 SHADKWNWILUPKT-UHFFFAOYSA-N 410.246 5.384 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(OCCN(C)C)cc4)nc13)-c1ccccc1C2=O 586995021 DDESXUROLLESNE-UHFFFAOYSA-N 408.501 5.362 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(Cl)cc(C)c3[nH]1)N2 587030437 DYNARTPXVQQVHH-NGPAHMQLSA-N 418.975 5.652 0 1 HKAF CC(C)Oc1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2cc1Br 587086105 SAWDDMCYZJDIOB-UHFFFAOYSA-N 416.706 5.981 0 1 HKAF Cc1sc(Br)cc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587101538 HBNVXXKMLZLGNJ-UHFFFAOYSA-N 420.331 6.554 0 1 HKAF CCOC(=O)[C@H]1C[C@@H](C(C)(C)C)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587107607 RSHUQHRYAKFDLD-YWZLYKJASA-N 413.517 5.701 0 1 HKAF Fc1ccc(F)c(SCc2cccc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c2)c1 587141576 UXUYENDMSBLSMH-UHFFFAOYSA-N 421.299 7.107 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(Cl)c(C)c4[nH]3)cc2F)c1 587143588 KGOAJBONETUEKE-UHFFFAOYSA-N 410.832 5.705 0 1 HKAF CCCC[C@@]1(c2ccc(Br)cc2F)CC(=O)c2cc(C)cc(N)c2O1 587382308 PLVPRQRAQPPWNY-FQEVSTJZSA-N 406.295 5.530 0 1 HKAF CCCC[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422046 NHVGMPLDWTZYQT-DYESRHJHSA-N 406.400 5.427 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1ccc(C)cc1)[C@@H](C2)C3=O 587432443 OSSSDMWTEWZSAA-KDYSTLNUSA-N 422.484 5.345 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)CC2=O 587462729 RRSJLXPHNSDZLN-QGZVFWFLSA-N 418.333 6.089 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](c3ccc(C(F)(F)F)cc3)C1)CC2=O 587464932 ZHLIGFCRDFFLOV-QRQCRPRQSA-N 404.428 6.035 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCc3c(C)noc3C)c1)CC2=O 587487844 XKCSQMVEXHFNGP-QHCPKHFHSA-N 407.466 5.235 0 1 HKAF COc1ccc(Br)c2c1[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587498567 OOKBSHSAIJLKDW-JOCHJYFZSA-N 413.311 5.143 0 1 HKAF C[C@@]1(c2oc3ccccc3c2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587500802 YCKJPUTWEIFMPK-QFIPXVFZSA-N 411.295 5.955 0 1 HKAF CC(C)(C)[C@@]1(c2cc3ccccc3nc2N)CC(=O)c2ccc3c(c2O1)CCCC3 587512574 YTWJYXVTXQHFDC-SANMLTNESA-N 400.522 5.603 0 1 HKAF O=C1CC2(C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)Oc2c1ccc1c2CCCC1 587519288 XUSMGHTYAUMCEO-RRZWQVKKSA-N 401.550 5.487 0 1 HKAF CCOC(=O)[C@@H]1CC[C@@H](c2ccccc2)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522215 GEYIKRRAWUEVOD-AOJNWGRGSA-N 404.506 5.026 0 1 HKAF O=C(O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1 587530750 HFXJSOXQSADJBY-FQEVSTJZSA-N 404.487 5.699 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cc(C(F)(F)F)cc1F 587550159 TYMAHIGSGAPMRT-PXNSSMCTSA-N 422.305 5.392 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2ccc(F)cc2)c1 587572617 SUVYMMFHZAHXOD-OZXSUGGESA-N 412.416 5.901 0 1 HKAF C[C@@]1(c2ccc3c(c2)[nH]c2ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589065 NEGUXYXELZDCQV-SQHAQQRYSA-N 421.452 5.904 0 1 HKAF CC(C)c1ccc2c(c1)[C@@]1(CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613520 YHRVVZAPNUDXGX-JYFHCDHNSA-N 416.473 5.545 0 1 HKAF CCOC(=O)C(=O)c1c(-c2ccccc2Br)[nH]c2ccc(F)c(Cl)c12 587627793 JVVPIQWPSKXQNN-UHFFFAOYSA-N 424.653 5.136 0 1 HKAF Oc1ccc(Br)cc1-c1[nH]c2cccc(F)c2c1-c1ccccc1F 587634177 DAOCMOIOWXCSBX-UHFFFAOYSA-N 400.222 6.248 0 1 HKAF CCOC(=O)Cc1c(-c2ccccc2Br)[nH]c2ccc([C@H](C)CC)cc12 587639091 MUYMHAWASPBQNM-CQSZACIVSA-N 414.343 6.217 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)c(C(F)(F)F)c2)N1 587713112 RQAJXYDMJQXPSU-HUTHGQBESA-N 420.219 5.544 0 1 HKAF Cc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 587848423 OKYSKLPLOPLUJG-YEJXKQKISA-N 416.359 6.249 0 1 HKAF CC(C)Oc1ccc(-c2nnc(Nc3ccc(CC(=O)O)cc3)s2)cc1Cl 653708003 DFXKLYZOOCNUQG-UHFFFAOYSA-N 403.891 5.016 0 1 HKAF O=C(O)c1noc(-c2ccc(OCc3cccc(F)c3)cc2)c1-c1ccc(Cl)cc1 653729636 ZUPKANHHZSOGLA-UHFFFAOYSA-N 423.827 6.078 0 1 HKAF CC(C)(C)OC(=O)N1CCCC2(C1)CC1(C2)NCCc2cc(-c3ccccc3)ccc21 962673989 ZZCGNAQOJKILFD-UHFFFAOYSA-N 418.581 5.506 0 1 HKAF CC(C)c1nn(C)c2c1[C@@]1(CC[C@H]3c4ccc5cc(O)ccc5c4CC[C@@]31C)NCC2 962915688 ATFULUDWHFBDTB-WDDWZANVSA-N 415.581 5.273 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)C(c2ccccc2Cl)(c2ccccc2Cl)N1 962945903 HKELKEXOOKEUEN-INIZCTEOSA-N 421.371 6.691 0 1 HKAF CCc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCCCC2 1772577002 IZRVPZUJHAHUIS-UHFFFAOYSA-N 410.461 5.333 0 1 HKAF Cc1cc2[nH]c(C(=O)CCc3ccccc3)c(CCc3ccccc3)c2cc1C(=O)O 1772629379 HFPYIPSDPGKPIU-UHFFFAOYSA-N 411.501 5.775 0 1 HKAF Cc1cccnc1NC(=O)C(C)(C)c1ccc(Nc2ccnc(C(F)(F)F)c2)cc1 1857634084 AHXZQUBSHBOYQZ-UHFFFAOYSA-N 414.431 5.464 0 1 HKAF O=C(Nc1ccc(F)cc1)c1ccc(-c2ccc(C(=O)Nc3ccc(F)cc3)[nH]2)cc1 1911579788 PBJQLWAEYJJWKW-UHFFFAOYSA-N 417.415 5.465 0 1 HKAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(CC[C@H](Cc6ccccc6)C5)[C@@]3(C)[C@@]4(C)[C@@]21O 2356370225 NOASNVCWMDMJSW-NYLRSQETSA-N 408.582 5.290 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@](C)(CCC2=CC(=O)OC2)[C@@H]2CCC=C(C)[C@]21C 2356569533 YZGKWHGGADYHRU-UJMXYHBQSA-N 400.559 5.537 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@]34C[C@H](CC[C@H]32)[C@](CO)(OC)C4)C1(C)C 2356672704 URSQOXNVGMLBOM-KOJABWAHSA-N 418.618 5.285 0 1 HKAF CC(C)=CCC[C@H](C)C[C@@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@H](c2ccc(F)cc2)O1 72137979 BRAXKJFXROHXHC-NQYLQCIDSA-N 402.535 5.375 0 3 HKAF CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(Br)cc1C 4192437 KFKPXBOXOIEYAJ-UHFFFAOYSA-N 415.287 5.235 0 1 HKAF CCN(CC)c1ccc(Nc2nc(-c3ccc(-n4cnc(C)c4)nc3)cs2)c(C)c1 6718183 UJLSXWLEPMKXSD-UHFFFAOYSA-N 418.570 5.597 0 1 HKAF CC1=C[C@@H]2c3c(CCC(=O)c4ccc(O)cc4O)ccc(O)c3OC(C)(C)[C@@H]2CC1 13373031 WHRKASUSXQKVPY-RBUKOAKNSA-N 408.494 5.230 0 1 HKAF biogenic CC(C)=CCc1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C(=O)[C@@H](C)[C@H](C)O2 13382636 ZJXOEBUGDGYYOO-GJZGRUSLSA-N 404.462 5.274 0 1 HKAF biogenic CCCC[C@@H](C(=O)O)n1c(-c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)cnc1O 13488122 PEAJJXNNIFVYPA-NRFANRHFSA-N 422.525 6.161 0 1 HKAF CS(=O)(=O)c1ccc(-c2cc(-c3ccc(F)cc3)oc(=O)c2-c2ccccc2)cc1 13581310 ZRSWEQHAUDNIHG-UHFFFAOYSA-N 420.461 5.183 0 1 HKAF O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(C(F)(F)F)cc1 13584928 KFZBTHNKNHZQIS-UHFFFAOYSA-N 407.395 5.810 0 1 HKAF C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(Cc4ccccc4)cn3)[C@H]12 13673146 CIYFANMJXAJDRQ-PXFMIGGCSA-N 401.550 5.690 0 1 HKAF c1ccc(CCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1 14947261 JBYDSVVZFPTSEF-UHFFFAOYSA-N 400.610 7.499 0 1 HKAF CCOP(=O)(OCC)C(CCC(=O)c1ccccc1)P(=O)(OCC)OCC 26028793 LNMJKIYQPXCHAT-UHFFFAOYSA-N 420.379 5.508 0 1 HKAF CCCc1c(OCc2ccc(C(=O)O)cc2OC)ccc2c1C(=O)c1ccccc1-2 27903233 MICIFNDLFSVIFJ-UHFFFAOYSA-N 402.446 5.136 0 1 HKAF CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CCN(Cc2ccccc2)CC1 27991274 VPZREUSDXQNKDA-UHFFFAOYSA-N 420.557 5.403 0 1 HKAF CN(CCCCCCCCC(=O)O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 28871548 AWDDIXNIONMGES-UHFFFAOYSA-N 417.553 6.062 0 1 HKAF CCC1=C(c2ccc(O)cc2)c2ccc(OCCN(C)C)cc2Oc2ccccc21 33889724 LKPRYBDGAZGXPL-UHFFFAOYSA-N 401.506 5.807 0 1 HKAF COc1ccc(NC(=O)[C@H](CC(C)C)Nc2cc(C)nc(Nc3ccccc3)n2)cc1 45167615 DHMDIPNCAXZYBX-NRFANRHFSA-N 419.529 5.003 0 1 HKAF O=C(Nc1ccncc1)C(=O)c1cn(-c2ccc(-c3ccccc3)cc2)c2ccccc12 45353657 GPMKFBHVULJLOH-UHFFFAOYSA-N 417.468 5.514 0 1 HKAF CC(C)CC[C@H](O)[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 45788994 RZPAXNJLEKLXNO-TXILBFOZSA-N 402.663 6.360 0 1 HKAF O=C(Nc1cccc(Br)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1 66078785 PMBJDRDVGOODQQ-UHFFFAOYSA-N 413.237 5.320 0 1 HKAF COc1ccc([C@@H]2c3c(nc4c(c3N)CCCC4)Oc3ccc4ccccc4c32)cc1 71329248 GZKOZWKZCQCMFW-QHCPKHFHSA-N 408.501 5.990 0 1 HKAF CN(C)C[C@@H]1CCc2cc(NC(=O)c3ccc(-c4ccccc4Cl)cc3)ccc2C1 72113566 KTDMCLCTLWFDGI-GOSISDBHSA-N 418.968 5.926 0 1 HKAF O=C(Cc1cccc(Oc2ccccc2)c1)Nc1ccc(Br)cc1Cl 73222423 FNFHBMIZTXYTTB-UHFFFAOYSA-N 416.702 6.076 0 1 HKAF C[C@@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2ccc(F)cc2Cl)nn1 84652276 WHLPUYVQMUBDER-ZDUSSCGKSA-N 407.901 6.715 0 1 HKAF O[C@H](CSc1ccc2ccccc2c1)[C@H](O)Cn1c2ccccc2c2ccccc21 84690383 RIYSVVFJTIFQHK-CLJLJLNGSA-N 413.542 5.462 0 1 HKAF c1ccc(CN2[C@H]3CC[C@@H]2C[C@H](OC2c4ccccc4CCc4ccccc42)C3)cc1 101549451 DZOFIEFQFCWGIY-GPOLMCQNSA-N 409.573 6.087 0 1 HKAF in-vitro CC[C@@H](C)CNC(=O)c1cc(-c2cnc3[nH]c(-c4ccc(OC)cc4)nc3c2)cs1 103248078 WJOZIBBXHBCESC-CQSZACIVSA-N 420.538 5.138 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 118915244 XZEUYTKSAYNYPK-VDGODXEASA-N 412.702 7.779 0 1 HKAF in-vitro CC1=N[C@@]2(N=C1N)c1cc(-c3cncc(Cl)c3)ccc1CC21CCC(F)(F)CC1 169708599 QYVNHRYCOVFLFE-JOCHJYFZSA-N 414.887 5.138 0 1 HKAF Cn1c(C2CCCC2)nc2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cc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endogenous,in-man Cc1cc(C)n(C[C@H]2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)n1 261108253 HSTHFIYASRGMSO-KOMQPUFPSA-N 413.871 5.161 0 1 HKAF c1ccc(C2=NN=C(c3ccccn3)[C@@H]3[C@H]4C[C@@H]([C@H]23)[C@@H]2[C@H]4[C@H]3C[C@H]2c2ccccc23)nc1 299809422 QAEQEAQDVFBXJR-ULIMQWADSA-N 416.528 5.083 0 1 HKAF Oc1cccc(CCCCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 586896455 RAUUQRSCJFVFKA-UHFFFAOYSA-N 413.237 5.615 0 1 HKAF Cc1ccc(-c2nc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c(C)s2)cc1 587012244 HRFKRNIJBJJMMN-UHFFFAOYSA-N 409.514 6.201 0 1 HKAF O=C(O)c1cc(F)cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 587015602 RXWFTJWEEUNGPJ-UHFFFAOYSA-N 408.241 5.498 0 1 HKAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(F)cc(F)c2[nH]1 587018574 IFNQGOKDFTXIOF-UHFFFAOYSA-N 424.303 6.597 0 1 HKAF Brc1cccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 587041516 WMXXDOHIUIJCNU-UHFFFAOYSA-N 422.351 6.171 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(-n5c(C)cnc5O)cc4)nc13)-c1ccccc1C2=O 587096923 DWUZMNYRFRZSDJ-UHFFFAOYSA-N 417.468 5.621 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(N5CCOCC5)cc4)nc13)-c1ccccc1C2=O 587098411 UVQKOAHHFZAXLG-UHFFFAOYSA-N 406.485 5.258 0 1 HKAF COc1c(F)cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1F 587135079 SLBVZZSQZUCYJI-UHFFFAOYSA-N 407.136 5.298 0 1 HKAF Cc1cccc2nc(-c3ccc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)[nH]c12 587171209 MWVFGQOHQBUHRM-UHFFFAOYSA-N 415.877 5.132 0 1 HKAF CC(C)[C@@H](c1nc2cccc(Br)c2[nH]1)N(C)C(=O)OCc1ccccc1 587198076 SLVQIIDZRPWIQW-SFHVURJKSA-N 416.319 5.291 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C1CCCC1 587224769 HERYQTIWDXBLNY-OAHLLOKOSA-N 401.404 5.477 0 1 HKAF Cc1ccccc1[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350675 FBYMAGISUVHHKT-AHWVRZQESA-N 404.481 6.140 0 1 HKAF Cc1ccc([C@@H]2CCC[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 587353646 LNHHQCCNXKDENM-GVUKDKGQSA-N 402.465 5.905 0 1 HKAF CC[C@@H](C)c1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 587364522 CMPJNKTYZCVYGH-GOSISDBHSA-N 407.513 7.837 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3ccc(Cl)cc3)c3ccccc13)O2 587379198 TWUBXWHICTZDCI-DEOSSOPVSA-N 416.908 5.940 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OCc4cccc(F)c4)cc1)[C@@H](C2)C3=O 587426315 BZFSFXBAOMVSJI-SQJMNOBHSA-N 404.437 5.076 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCc3cc(Br)ccc31)CC2=O 587456760 AYHLWWRZQZCOHV-OAQYLSRUSA-N 401.300 5.304 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)nc1NC(=O)C(C)(C)C)CC2=O 587459718 FXLJUCDVPWZQNR-KRWDZBQOSA-N 416.905 5.084 0 1 HKAF CCCOc1c(Cl)cc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OCC 587461956 VLDJHSFRGWRUKC-FQEVSTJZSA-N 418.917 5.892 0 1 HKAF O=C1C[C@@H](c2ccc(-c3ccc(Br)cc3)o2)Oc2c1ccc1c2CCCC1 587499650 TYXDJCMLCPIYBJ-QFIPXVFZSA-N 423.306 6.294 0 1 HKAF O=C1C[C@H](c2cc(Br)ccc2OC(F)F)Oc2c1ccc1c2CCCC1 587510109 YTOAPKXBJHQGBT-GOSISDBHSA-N 423.253 5.636 0 1 HKAF O=C1CC2(C[C@@H]3CCC[C@H](C2)N3Cc2cccs2)Oc2c1ccc1c2CCCC1 587531456 KJQPOIVCVOTZJO-OOEJVQDLSA-N 407.579 5.548 0 1 HKAF O=C(O)c1ccc(COc2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587532791 NXUCKEJUJHWQHL-HSZRJFAPSA-N 418.445 5.142 0 1 HKAF O=C1C[C@@](CSc2nc3ccccc3s2)(C2CC2)Oc2c1ccc1c2CCCC1 587537937 LYJCKUDXKYUEEK-XMMPIXPASA-N 421.587 6.081 0 1 HKAF COc1ccc(-c2ccccc2)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594277 NWAPMEFDJNSDID-SHQCIBLASA-N 424.452 5.771 0 1 HKAF CCCOc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 587595239 KKKQXEPXPMAUGZ-JYFHCDHNSA-N 416.473 5.373 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OC2CCCC2)c1 587598906 CEJJXFQBFVVSEG-WIOPSUGQSA-N 402.446 5.417 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2)cc1O 587611285 RZFHKUPUOVYNMR-OZXSUGGESA-N 410.425 5.468 0 1 HKAF Cc1cc(Cl)cc2c(CCCC3OCCO3)c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c12 587627342 SQIDFMQDLUDBIR-CQSZACIVSA-N 422.953 5.411 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=Cc3cc(Cl)ccc3OC2)N1 587695053 ICDHJOMHQKIULI-APBUJDDRSA-N 408.698 5.293 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2Br)N1 587723369 XHYUYBMLOXACAY-PWJLMRLQSA-N 417.091 5.113 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)c3ccccc23)N1 587730501 JBBQOBIJTLPNSO-LAJNKCICSA-N 402.282 5.678 0 1 HKAF CCOc1cccc2[nH]cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c12 587801983 JMGUHBCSIRSDBJ-BIBXISHDSA-N 403.295 5.092 0 1 HKAF CC1=C[C@]2(C[C@H](c3ccccc3)C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587816719 BZUJGEXPZSCXNB-QXATTWAWSA-N 400.335 5.842 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccccc3)c3ccccc32)N1 587819830 WTMYSZUMVZGBCL-YOQPTCTGSA-N 422.341 5.902 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SC3CCCCC3)o2)N1 587844999 QATZCQKSEGPUSP-FKIZINRSSA-N 424.379 6.230 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3)s2)N1 587849583 UIBFMYGHDYCTDE-FKIZINRSSA-N 402.332 5.940 0 1 HKAF Nc1ccc(-c2cc(O)n(-c3ccc(Oc4ccc5c(c4)CCC5)c(F)c3)c2O)cc1 587945823 QPCUXUBSEHBUKX-UHFFFAOYSA-N 416.452 5.558 0 1 HKAF COc1ccc2c(c1)[C@](CC(C)(C)C(=O)O)(c1ccc(C)c(C)c1)N(C(C)C)CC2 962094070 RGUHFUSXBKBMOA-SANMLTNESA-N 409.570 5.323 0 1 HKAF Cc1ccc(C)c(-n2ccc([C@@H]3c4ccsc4CCN3Cc3cccn3C)c2)c1 962373537 MWONJQSOLGQNRZ-RUZDIDTESA-N 401.579 5.642 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CC(=O)C[C@H](c3ccc(C(C)C)cc3)C2)N1 962947597 CBIXNWKBRKXIQE-ISCCLHIJSA-N 400.566 5.948 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CSc2nc(C)c(C)c(O)n2)(C(C)(C)C)N1 962960303 WNXTXIOWEMVDPW-UPCLLVRISA-N 424.614 5.238 0 1 HKAF FC(F)(F)c1cccc2c1[C@]1(CCCc3c(Cl)cccc31)NCC21CCOCC1 962964670 YVWWAYZUHGZJCU-JOCHJYFZSA-N 421.890 5.590 0 1 HKAF Cc1sc2c(c1C)CCN[C@]2(c1ccccc1Cl)c1ccccc1CN1CCC1 963019587 HRRBTUQVNCFBDS-VWLOTQADSA-N 423.025 5.662 0 1 HKAF CCCc1ccc([C@@]2(c3cccc(C)n3)NCCc3cc4cccc(OC)c4nc32)cc1 963044846 DVVXETUBEDYFRD-NDEPHWFRSA-N 423.560 5.337 0 1 HKAF Cc1cc(OCC(=O)NCc2ccccc2)cc(C)c1Cc1ccc(O)c(C(C)C)c1 1857561874 HGCSPRICTGARAS-UHFFFAOYSA-N 417.549 5.418 0 1 HKAF COC1CCN(Cc2nn(-c3ccc(C(C)C)cc3)c(-c3ccc(F)cc3)c2C)CC1 1857591286 OJBGGBKPXXYYJK-UHFFFAOYSA-N 421.560 5.721 0 1 HKAF CCCCCc1cc(OC)cc(OCCCCCCCCCCC(=O)NCCO)c1 1911575015 YOODCUVAOWQGPD-UHFFFAOYSA-N 421.622 5.426 0 1 HKAF CC(=CCN1[CH]N(C)c2ncnc(N)c21)CC[C@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@@H]21 2356311818 IMMRUMDJLDNKKI-ZEZQGNGESA-N 422.641 5.960 0 1 HKAF CCCCC[C@@H]1C[C@@H]2[C@H](NC)CC[C@@]34C[C@@]2(C1)[C@H]3[C@H](O)C[C@@]1(C)CCC[C@@]4(O)C1 2356367852 JEJWGRWLISTUJH-KNHZGYGBSA-N 403.651 5.043 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H](CC[C@@]21C)O3 2356479906 IKUYBMRKMWNUMR-LSRKDIGLSA-N 414.674 7.137 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@H](c1ccc(O)cc1)O2 2356554490 XYIQIBWIEGCVQY-JOCHJYFZSA-N 408.494 5.745 0 1 HKAF CN(Cc1ccc(Cl)cc1)[C@@H](C(=O)NC1CCCCC1)c1cc2ccccc2o1 72136114 HCTHAGOUHYDQPW-HSZRJFAPSA-N 410.945 5.708 0 3 HKAF O=C(c1ccncc1)N1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)CC2 3955896 DTCRRUVONQUHNA-UHFFFAOYSA-N 411.549 5.271 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 4097816 VACIUUOVHYVHMG-GFXPAFAKSA-N 414.718 8.025 0 1 HKAF COc1ccc(C2=NO[C@@]3(SCc4ccccc4C3=O)[C@H]2c2ccc(C)cc2)cc1 6522735 RGWOYVCJPZGHCY-WIOPSUGQSA-N 415.514 5.348 0 1 HKAF CC(C)C1=C(c2c[nH]c3ccccc23)[C@@H]2[C@H](C)CC[C@]3(C)[C@H](C)CC[C@H](O)[C@@]23CC1 13308715 LXZADDNPPHIYMD-MTKUUGKUSA-N 405.626 7.201 0 1 HKAF biogenic CC[C@H](/C=C\[C@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 13551250 JZVFJDZBLUFKCA-RNYDAJNJSA-N 412.702 7.801 0 1 HKAF COc1ccccc1CN1CCC(CCC(=O)c2ccc(N3CCCC3)cc2)CC1 13738624 YQAPDOAFCONOJZ-UHFFFAOYSA-N 406.570 5.171 0 1 HKAF O=C1O[C@H](c2ccc(Cl)cc2)[C@@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 26005166 YRFHIEKXDRILPA-SJLPKXTDSA-N 424.671 5.042 0 1 HKAF CCCCc1ccc2nc(N[C@H](Cc3ccc(Cl)cc3)C(=O)OCC)sc2c1 28005202 UAQYSXWPHVTAKC-LJQANCHMSA-N 416.974 5.879 0 1 HKAF COC(=O)[C@@H](Oc1cccc2c1CCCC2)c1ccc(Oc2ccc(Cl)cc2)cc1 39242711 QFKWDACCAJYSTP-DEOSSOPVSA-N 422.908 6.304 0 1 HKAF CCCC[C@H](Sc1ccc(OCCCOc2ccc(C)c(C)c2)cc1)C(=O)O 43070399 WEKKXRVUIMLCSV-QFIPXVFZSA-N 402.556 5.887 0 1 HKAF O=C(Nc1ccc(F)cc1)N1CCc2cccnc2[C@H]1c1ccc(C(F)(F)F)cc1 43203450 PDHSWFCNOPFHAS-HXUWFJFHSA-N 415.390 5.419 0 1 HKAF CCc1ccc(CN2CC[C@H](CNC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 45189563 VUBRTWUHNGOBNY-HXUWFJFHSA-N 422.569 5.369 0 1 HKAF C[C@H]1CC[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)NC1 49888751 UUCQCKZTFQEWEI-IVJVQQFWSA-N 415.662 5.209 0 1 HKAF Cc1nc(-c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccccc2)oc1C 82162464 VYHFLCFXNQLGCE-UHFFFAOYSA-N 424.426 6.046 0 1 HKAF CCc1cnc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccc(F)cc2)s1 82164816 VALNSIGWSLMUMW-UHFFFAOYSA-N 422.504 5.762 0 1 HKAF Fc1cc2nc(NCCCNCc3ccc(Cl)c(Cl)c3)sc2cc1F 84617953 RKLGGTTUWWNMSB-UHFFFAOYSA-N 402.297 5.473 0 1 HKAF O[C@@H](CSCCCc1ccccc1)CN(Cc1ccccc1)Cc1ccccc1 84687205 QGARFVLVTMRRHJ-AREMUKBSSA-N 405.607 5.416 0 1 HKAF O=C1C[C@H](c2cc3ccccc3nc2Cl)N(Cc2ccccc2)[C@H]2CCCC[C@@H]2N1 96929589 TWFNPNJZIUVWSR-RJGXRXQPSA-N 419.956 5.263 0 1 HKAF C[C@H]([C@@H]1C[C@@H](C)[C@@H](C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118913576 JAVFSUSPBIUPLW-VQISNEMFSA-N 414.674 7.259 0 1 HKAF biogenic,in-vitro CC(C)CCC[C@H](C)/C=C\C[C@@H](C)CCC[C@@H](C)/C=C\CC/C=C\CCCC(=O)O 169636574 YFZUHLGNZYWTSU-LLZAGLQCSA-N 418.706 8.985 0 1 HKAF Cc1cc(/C=C/C(=O)O)ccc1Oc1c(-c2ccc(O)cc2)sc2cc(O)ccc12 221202826 OPODJWBURLUCON-QDEBKDIKSA-N 418.470 6.178 0 1 HKAF COc1cc2c(cc1O)O[C@H]1c3ccc(O)c(C/C=C(/C)CCC=C(C)C)c3OC[C@@H]21 238788297 GIZZVIVXSZOUBO-QGEAWDSISA-N 422.521 5.951 0 1 HKAF CCCCc1cc(=O)oc2cc(OCc3nc4ccc(C(F)(F)F)cc4[nH]3)ccc12 586918140 JFNASILKHMRZIN-UHFFFAOYSA-N 416.399 5.610 0 1 HKAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586963557 OHENSVVBCSHGOX-NSHDSACASA-N 402.829 5.283 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(F)cc3C(F)(F)F)nc3ccc(O)c1c23 586987481 WZFAITKKUAUSSQ-UHFFFAOYSA-N 409.338 5.977 0 1 HKAF Cc1nc(C(F)(F)F)ccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586996660 RGOFDXSYLBXMNA-UHFFFAOYSA-N 404.391 6.144 0 1 HKAF C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cnnc(O)c2[nH]1 587057483 XMRUGDPVZFSBFQ-SNVBAGLBSA-N 417.252 5.298 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3cn(-c4ccc(Cl)cc4)nc3C)nc2c1 587076738 OKCIXKZNSWIIAM-UHFFFAOYSA-N 401.695 5.448 0 1 HKAF CCOc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(OCC)c1 587097922 PHDYOCNFWXFULF-UHFFFAOYSA-N 409.485 6.219 0 1 HKAF N[C@@H](Cc1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccc(Br)cc1F 587142495 CMVJIDUHDDEKKI-LBPRGKRZSA-N 403.082 5.014 0 1 HKAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)C1CCCC1 587225893 NQBUHOGHVQAHSS-NRFANRHFSA-N 421.545 5.150 0 1 HKAF CC(C)[C@]1(Cc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331093 OXFUSCSXZGASTJ-NOZRDPDXSA-N 424.899 6.181 0 1 HKAF C[C@]1(c2cccc(-n3cccc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337587 BMFGJCIRJYAGFA-AOYPEHQESA-N 413.448 5.596 0 1 HKAF CC(C)C[C@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350704 FCWWGKZHZVWJMZ-AZGAKELHSA-N 404.481 5.918 0 1 HKAF CCCc1c(O)ccc2c1OC(c1ccc(OC)cc1)(c1ccc(OC)cc1)CC2=O 587485017 XWXCPLJGESOXHW-UHFFFAOYSA-N 418.489 5.271 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc3nc(C)sc3c1)CC2=O 587495662 PTCBKDKBHHULDP-HSZRJFAPSA-N 424.522 5.016 0 1 HKAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1SC(F)(F)F 587502498 FFXZTYCGHHMUNL-QGZVFWFLSA-N 408.441 5.892 0 1 HKAF CCOC(=O)[C@@H](CC)[C@@]1(c2cccc(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587527543 WLVMDNXDUZGRJB-GJZUVCINSA-N 422.521 5.024 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CC=C(c1ccc(F)cc1)CC2 587572079 RGIHINLNPVBNAO-RDGATRHJSA-N 402.421 5.499 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc(Cl)cc3)CC2)N1 587702864 WZCJCZFSCQYVFK-CYBMUJFWSA-N 423.757 5.272 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccc(C(F)(F)F)cc2)N1 587709718 AQBCRZAWMMUJOP-MEDUHNTESA-N 416.256 5.815 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C(F)(F)F)c1 587710103 FHYIRNZYZWGOIO-BMLIUANNSA-N 402.229 5.539 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CF)(c2ccc(C(F)(F)F)cc2)N1 587712944 MEJLWDWEEOECAZ-DYZYQPBXSA-N 420.219 5.354 0 1 HKAF Cc1ccc(C)c([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587738998 FLJQATQEMPGLPW-SEOQWQOGSA-N 417.366 5.058 0 1 HKAF CCC[C@@H](CC1(c2nc3cc(C)cc(C)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781775 NGZADSGQFCBVJR-QFIPXVFZSA-N 418.581 6.541 0 1 HKAF COc1ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2c1 587783387 AGEABLRMGATRBZ-UHFFFAOYSA-N 420.512 6.408 0 1 HKAF Cc1cc2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc2c(C)n1 587783645 DHPKJMSZOSWBEF-UHFFFAOYSA-N 419.528 6.412 0 1 HKAF CCCOc1c(OC)cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587788839 AFVDGYHDFUAVEA-CWTRNNRKSA-N 408.311 5.009 0 1 HKAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC(C)C 587792364 KLCPBMVXDJKGFH-LRTDBIEQSA-N 422.338 5.255 0 1 HKAF CCOc1ccc(C(C)C)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587801344 KKWXDQWWQBMHTG-ZSEKCTLFSA-N 406.339 5.734 0 1 HKAF CSc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 587845130 NAJUOTAPTGJRAY-MGNBDDOMSA-N 414.771 5.761 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cscc2Br)N1 587852368 FWYAUUTXZNWANA-UOWDBTKRSA-N 405.130 5.036 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ccccc3)n2)N1 587853695 QZDPIVJHFVLBBT-VOJFVSQTSA-N 403.320 5.335 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1ccccc1C(F)(F)F 587868456 NTIGQVDZACRZOU-UHFFFAOYSA-N 401.310 5.040 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(F)c(F)cc2[nH]1 587948991 LWONZQYBBSHFRZ-ZCCHDVMBSA-N 412.480 6.126 0 1 HKAF Cc1ccc(Cl)cc1NC(=O)CCCNC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 653760966 SVBWEJQNEZWCDK-SFHVURJKSA-N 414.977 5.486 0 1 HKAF COc1ccc2c(c1OC)[C@@](Cc1ccccc1Cl)(c1ccccc1)N(C)[C@H](C)C2 962636844 NMADXCALGLEAEN-WXTAPIANSA-N 421.968 5.720 0 1 HKAF Cc1cc([C@@]2(c3cccc(F)c3F)NCCc3cccc(-c4ccccc4)c32)ccn1 962665913 RLRVUOJMZHBIPJ-MHZLTWQESA-N 412.483 5.773 0 1 HKAF Cc1cc(F)cc([C@]2(c3ccc(Cl)cc3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963022636 KEQAGFBORSNREU-LMKMVOKYSA-N 420.915 5.133 0 1 HKAF CCN(CC)CCCN=c1[nH]c(/C=C/c2ccc(OC)cc2)nc2cc(Cl)ccc12 1857551133 IHFBOYQIZKCKRI-NTEUORMPSA-N 424.976 5.028 0 1 HKAF COc1cc(-c2cncc(-c3ccc(C4=CCNCC4)cc3)c2C)cc(OC)c1OC 1911579707 KTHFYGORXCBACY-UHFFFAOYSA-N 416.521 5.127 0 1 HKAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(CC[C@@H](Cc6ccccc6)C5)[C@@]3(C)[C@@]4(C)[C@]21O 2356370226 NOASNVCWMDMJSW-QYRMKPQBSA-N 408.582 5.290 0 1 HKAF CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]32)C1 2356429696 FMSSVYNONQQPON-OMFSDFRDSA-N 402.707 8.123 0 1 HKAF C[C@@H]1CCC[C@@H]2[C@]1(C)CC(=O)[C@@H]1[C@]2(C)CC[C@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)C=C[C@]12C 2356451608 LONJPWUFRBKLHQ-NDWXPFQJSA-N 424.713 8.233 0 1 HKAF CCCCCC=CC(=O)O[C@@H]1C[C@@H]2[C@H](CCCC[C@H](O)CCC)CCC[C@H]2N[C@@H]1C 2356454604 QNAATLGQMSSVEO-VRVGQERDSA-N 421.666 5.923 0 1 HKAF C[C@@H]1[C@@H](OC2CCCC2)O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]12 2356603619 HGHCDDIPMDTEIA-LTVCVARWSA-N 414.630 5.856 0 1 HKAF CC(=CCC[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)CCC=C(C)CCC(=O)O 2356645290 LAVCYAUSHCEKED-SANMLTNESA-N 414.586 6.719 0 1 HKAF CCCCC[C@H](O)C=CC=C[C@@H](CCC[C@H](CCC(=O)O)CCC(C)C)CNC 2356700588 BKMFGLMMBZOPSA-HJOGWXRNSA-N 409.655 5.963 0 1 HKAF C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 3226576 ZTIPVKUHEPBJQA-LJQANCHMSA-N 423.597 5.576 0 1 HKAF C[C@@](Cc1ccc(Cl)cc1)(Oc1ccccc1Cc1ccc(Cl)cc1)C(=O)O 13604842 DEYFJUGADQRTBG-QHCPKHFHSA-N 415.316 6.049 0 1 HKAF CC(C)=CCn1c2c(ccc1=O)[C@H](NCCc1cc(Cl)cc(Cl)c1)CCC2 13743305 KUBUJASAOIYSFD-HXUWFJFHSA-N 405.369 5.331 0 1 HKAF C=Cc1ncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1 14962523 RHUOKRYZBHJUHU-QFIPXVFZSA-N 420.516 5.370 0 1 HKAF Cc1c(-c2cn(C)c3c(-c4ccccc4)cccc23)nc2ccc(F)cc2c1C(=O)O 29464073 ANOLHYXKJDHXNA-UHFFFAOYSA-N 410.448 6.206 0 1 HKAF Cc1cc2c(cc1O)CC[C@@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2 34010740 PZZKGQBMBVYPGR-OREGWCPLSA-N 402.663 8.223 0 1 HKAF in-man CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(OC)cc12 40393871 MJGKUYZSYCVYAQ-UHFFFAOYSA-N 412.489 5.075 0 1 HKAF Cc1cc(C)c(NC(=O)C(C)(C)C)c2c1CCN2CCCCCCCCCC(=O)O 40403564 OQVPLOUASNKKHM-UHFFFAOYSA-N 416.606 5.856 0 1 HKAF Cc1c(CNCC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 40430538 MVWYUUKPLKLTOE-UHFFFAOYSA-N 422.787 6.554 0 1 HKAF COc1cc2ncnc(Nc3ccc(OC(F)(F)c4ccccc4)cc3)c2cc1OC 45190146 KKYOHISIBWCTAR-UHFFFAOYSA-N 423.419 5.519 0 1 HKAF O=C(Nc1ccc(F)c(Cl)c1)N[C@@H]1CCN(c2ccnc3cc(Cl)ccc23)C1 45227204 DTCCMXNGIUTKEX-CQSZACIVSA-N 419.287 5.081 0 1 HKAF CC1=C(c2nc3ccc(C)cc3n2C)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 45260492 OPGHUVJACOLPFD-OAQYLSRUSA-N 424.335 5.831 0 1 HKAF CC(=O)c1cccc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)c1 45286825 XZXNOQWBORGEFP-UHFFFAOYSA-N 420.582 5.016 0 1 HKAF Cn1c(-c2cn(C)c3ccccc23)cnc1-c1cn(C)c2cc(Br)ccc12 49803380 TWDJYVWGSNBLOX-UHFFFAOYSA-N 419.326 5.500 0 1 HKAF CCCn1c(-c2cnc(Nc3ccc(C)nc3)c(Cl)c2)nc2ccc(Cl)cc21 66112956 GURJCURQGMVSSN-UHFFFAOYSA-N 412.324 6.262 0 1 HKAF CC1(C)[C@@H]2CC[C@@H]1C=C2CN1CCC(NC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 101779209 ZHCQGEQHIUXPJR-CRAIPNDOSA-N 422.400 5.572 0 1 HKAF CCCOc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)OC(C)C 103543330 WPLICJINWMTIFU-QFIPXVFZSA-N 411.542 5.871 0 1 HKAF CCC[C@@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1cc2ccccc2o1)CCCC3 113123267 AOGVXPGEXFNHFO-QGZVFWFLSA-N 419.546 6.865 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 119291289 WOVIRZFRRNEFES-MHERODDWSA-N 414.718 8.313 0 1 HKAF in-man CC1=CC(=O)O[C@@H]1C/C=C(\C)CC[C@@H]1[C@@]2(C)CCC[C@@](C)(C(=O)O)[C@@H]2CC[C@@]1(C)O 139831766 IYKWRWFFFLJWCZ-UOIPBLJYSA-N 418.574 5.033 0 1 HKAF FC(F)(F)c1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 140120449 JUGIZBPVEISTFC-UHFFFAOYSA-N 406.411 5.314 0 1 HKAF [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)[C@@H](C)O)c(C)c1Cl 146546004 LWSIOFJPNMXDSO-PIGZYNQJSA-N 403.269 5.437 0 1 HKAF COc1ccc(CCN(C)CCCN2c3ccccc3Oc3ccccc32)cc1OC 148491377 JGMPYIDWHIMDRC-UHFFFAOYSA-N 418.537 5.512 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1ccc(Oc2ccccc2)nc1 167106531 QSXDUAFPRKCURK-HXUWFJFHSA-N 418.493 5.145 0 1 HKAF CCc1cccc(CC)c1-c1cc(C)c2c(n1)C[C@@H](C)N(c1cc(C3CC3)nn1C)C2 169686054 WDOLUYWNGRMXSI-GOSISDBHSA-N 414.597 5.744 0 1 HKAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)O[C@H]3CC[C@H](C)CC3)CN(C)[C@H]1C2 195374114 PRLKDWJIMFKGSZ-DICJJSHDSA-N 408.586 5.304 0 1 HKAF c1ccc(Cn2c3ccccc3c3ccnc(CN[C@H]4CCCc5cccnc54)c32)nc1 200696741 XVSUSWCJFNERBN-QHCPKHFHSA-N 419.532 5.195 0 1 HKAF Cc1cc(-c2nc(-c3ccc(OC4CC4)c(C)c3)n3c2CCO[C@H](C)C3)cc(C)n1 220996108 RAUYYFXYAMFKNU-GOSISDBHSA-N 403.526 5.040 0 1 HKAF C=C/C(C)=C\C[C@@]1(C)[C@@H](C)CC[C@]23C(=CCC[C@H]12)[C@H](OC(C)=O)O[C@H]3OC(C)=O 238781085 VETHZFSKKYINKU-NXVSRRJQSA-N 402.531 5.076 0 1 HKAF CN1CCCCCCCCCC(=O)OC[C@H]2[C@H](C[C@H]3CC[C@H]2N3C)c2ccc1cc2 253674202 GFWKSCDPOYKBDG-ZKGSSEMHSA-N 412.618 5.367 0 1 HKAF O=S(=O)(/C=C/c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1ccccc1 586924551 RZCISQPVQHPNRN-VOTSOKGWSA-N 420.334 5.045 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC(NNc1ccc(F)cc1)=CC4)-c1ccccc1C2=O 586995596 MVNCEAXKJGNRIM-UHFFFAOYSA-N 421.475 5.493 0 1 HKAF Fc1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2c(F)c1F 587001843 RCWHXXBHGKNJOE-UHFFFAOYSA-N 407.189 5.475 0 1 HKAF CCc1ccc(-c2nc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)cs2)cc1 587016066 OKTPLRUWESWWFY-UHFFFAOYSA-N 409.824 5.330 0 1 HKAF FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587088865 TXKHKZTWMYWCBM-QMMMGPOBSA-N 410.184 5.094 0 1 HKAF Cc1ccc2c3c(cc(CSc4ccccc4C(=O)O)nc13)-c1ccccc1C2=O 587102018 KSRHZMWYPHWPQJ-UHFFFAOYSA-N 411.482 5.745 0 1 HKAF FC(F)(F)Oc1cccc(CSCc2nc3c(Br)ccnc3[nH]2)c1 587122200 AQOKWIFZVNIEAV-UHFFFAOYSA-N 418.238 5.052 0 1 HKAF Cc1c(-c2nc3cc(Br)c(F)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587165968 JHNDUFFBSGQFDJ-UHFFFAOYSA-N 402.242 5.585 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)CC[C@]31Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343814 DPGXYYVBUSHIIF-ZEQKJWHPSA-N 413.448 5.522 0 1 HKAF O=C1c2ccc(O)cc2OC2(CCN(C3CCCCC3)CC2)[C@@H]1c1ccc(F)cc1 587350568 ZXQIRQWBOFRCRS-HSZRJFAPSA-N 409.501 5.058 0 1 HKAF CC1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 587358294 WKGXDKTVNALPBU-DHLKQENFSA-N 420.436 5.052 0 1 HKAF CC/C=C\CCOC(=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587363242 PZHQCDZPGUKSKP-PLNGDYQASA-N 401.462 6.170 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCc1ccccc1)(Cc1ccc(Cl)cc1)O2 587377817 KGGXUGCIQNUVAK-SANMLTNESA-N 419.952 6.200 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(C)cc(CN4CCC[C@@H](C)C4)c1C)[C@@H](C2)C3=O 587435220 DLWVLULVBBXWDD-WKAWXIHRSA-N 405.538 5.033 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)c(F)cc1F)CC2=O 587466961 RHQKDVKLSYOAMS-IBGZPJMESA-N 411.242 5.266 0 1 HKAF CC(C)(C)[C@]1(c2ccc(OC(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587506251 NATBWJGSLLGRSF-HSZRJFAPSA-N 418.455 6.371 0 1 HKAF CC(C)(C)OC(=O)N[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587510443 GTUFMAWQPCZFIY-LVXARBLLSA-N 419.521 5.396 0 1 HKAF Cc1cccn2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(-c3ccccc3)nc12 587513056 AMNRBNHPRVDADW-HSZRJFAPSA-N 408.501 5.895 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(c1ccc(Cl)cc1)CC2 587552032 MKYYXMOTVGHGCT-ONWYWGCKSA-N 420.892 6.104 0 1 HKAF CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc12 587571842 MSGXAXYWGLDJJF-JYFHCDHNSA-N 411.457 5.314 0 1 HKAF CCCOc1c(C)cc(C)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593110 CESOBFFVVACQAA-PXDATVDWSA-N 404.462 5.501 0 1 HKAF Cc1ccc(C(C)C)c2c1[C@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606124 BIUXAWIJKXABMQ-GJZUVCINSA-N 416.473 5.464 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(Cl)ccc1CC2(C)C 587698997 PBGRUIVYPYJNDI-GIPWTMENSA-N 408.742 5.602 0 1 HKAF CC[C@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587700616 ZNLUIIRHYMCUJI-XTZNXHDOSA-N 417.149 6.083 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3F)o2)N1 587728925 UHANVGFOEIOREJ-YBTHPKLGSA-N 404.254 5.611 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccccn2)N1 587770430 JMRBUMOHTAJAEV-QRQCRPRQSA-N 411.318 5.004 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)(C2CCCCC2)N1 587772913 PRKMNTMXFSOTKC-QKKBWIMNSA-N 403.339 5.341 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2cccnc2)N1 587779760 VSUFCEQMJRGEGR-LRTDBIEQSA-N 413.290 5.399 0 1 HKAF CCC[C@H](CC1(c2nc3ccc(CC)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782655 WKEOPXKMQKVMPF-JOCHJYFZSA-N 418.581 6.487 0 1 HKAF Oc1ccc(OCc2ccccc2)cc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587783209 ZTTXEZHACMOYGA-UHFFFAOYSA-N 424.525 6.666 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(c2ccccc2)N1 587811038 FRXJAZLVWAKLPS-MZNJEOGPSA-N 424.357 5.999 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2)(c2ccccc2)N1 587816087 UAVAFMUDEYSJRR-GFLSLHFZSA-N 422.341 6.079 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCC(=O)O)(c2ccccc2)N1 587827609 LDQBEPJEVMXYEA-LHSJRXKWSA-N 420.322 5.011 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC=C2CSc2ccccc2)N1 587848496 WRTJVSPPBVOYQS-SPLOXXLWSA-N 418.375 5.830 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccsc3)cs2)N1 587850286 YIXPSICFAMDPCQ-MLCYQJTMSA-N 408.361 6.002 0 1 HKAF CCOc1ccc(-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)cc1 587923323 MJGZZTGUXIETJE-UHFFFAOYSA-N 414.505 7.163 0 1 HKAF COC(=O)c1ccc(OC)c(-c2cc3c(N[C@H](C)c4ccccc4)ncnc3s2)c1 653686875 AARBVSHAOOSSTN-CQSZACIVSA-N 419.506 5.327 0 1 HKAF CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 653822843 QZPNDBVWPFDCQL-LJQANCHMSA-N 415.921 5.166 0 1 HKAF Cc1cccc([C@]2(c3ccccc3C)c3ccsc3CCN2Cc2cccn2C)n1 962371970 IKNYKCCYTVENHT-SANMLTNESA-N 413.590 5.449 0 1 HKAF CCCCOc1ccc(Cl)c([C@H]2c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c1F 962639166 VAUYJKAKKQAFEM-QKFKETGDSA-N 421.940 5.641 0 1 HKAF CCOC(=O)[C@@H](CC)[C@@]1(c2cccc(C)c2)NCCc2cccc(-c3ccccc3)c21 962664771 KLVSVBHKHUNRJG-LEAFIULHSA-N 413.561 5.641 0 1 HKAF COCOc1cccc([C@]2(c3cccnc3)NCCc3cc(-c4ccccc4)ccc32)c1 962674432 XHFJZHHAVOIKAJ-MUUNZHRXSA-N 422.528 5.169 0 1 HKAF Cc1cc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN32)cc(C)c1OCc1ccccc1 963100761 JGGAANBGVDNDQC-AOYPEHQESA-N 401.525 6.131 0 1 HKAF Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](O)c3c(C)cccc32)cc1 1772601643 OAILZIXLSBGBEW-QHCPKHFHSA-N 414.505 5.030 0 1 HKAF Cc1cc(-c2nc(-c3ccc(C(F)(F)F)c(F)c3)n3c2CCO[C@H](C)C3)cc(C)n1 1772644535 IXCOPFVWBKXRLB-CQSZACIVSA-N 419.422 5.348 0 1 HKAF CO[C@@H]1CCCN(Cc2cc(-c3ccc(C(C)C)cc3)n(-c3ccc(F)cc3)n2)C1 1857543442 JUDQOXAYUIHRDN-XMMPIXPASA-N 407.533 5.413 0 1 HKAF Cc1cc(C)cc(OCCc2ccc(CN3CCN(c4ccccc4)CC3)cc2)c1 1857600960 SMAFRUXGNLXTKE-UHFFFAOYSA-N 400.566 5.247 0 1 HKAF COc1ccc([C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2)N(C)C(=O)c2ccco2)cc1 1857761764 VMFBHJUCESVLNW-QFIPXVFZSA-N 420.509 5.038 0 1 HKAF CC1(C)[C@H]2CC=C3[C@@H](CC[C@]4(C)[C@H](c5c[nH]c(C=O)c5)CC[C@@]34C)[C@@]2(C)CC[C@H]1O 2356518391 OSIJEJSDZVRPGU-IUJGOOTHSA-N 409.614 6.261 0 1 HKAF CC(C)=CCN1c2cc(Br)ccc2[C@@]2(CC=C(C)C)CN(C)O[C@]12C 2356580819 AYBQLLURTWTJFL-LEWJYISDSA-N 405.380 5.423 0 1 HKAF CC(C)=CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@@]21C 2356809864 ATUXXZWQMBABQB-JOXSRYROSA-N 416.646 5.252 0 1 HKAF COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(C)C[C@@H]4[C@H]3c2ccccc2)c1 8679910 SFLQIDPCXCBBAD-YSPZNPPASA-N 423.556 5.592 0 3 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CC/C(C)=C/C[n+]1cn(C)c2ncnc(N)c21 14415368 YCSGSEAQYPDNAQ-IGDBSQNJSA-N 422.641 5.363 0 3 HKAF in-vitro CCc1ccc(Nc2n[n+](-c3ccccc3)c(-c3ccc(C(=O)O)cc3)s2)cc1 15936848 BXRBLSXTRAGLSL-UHFFFAOYSA-O 402.499 5.091 0 3 HKAF COc1ccccc1-c1cc(NC=O)c2ncc(-c3cccc(C(F)(F)F)c3)n2c1 61926558 BFKLRHJTZGMCDU-UHFFFAOYSA-N 411.383 5.264 0 3 HKAF COC(=O)c1ccc2nc(-c3cccc(Br)c3)c(Cc3ccccc3)n2c1 95568012 KROWYNXHDPJFSN-UHFFFAOYSA-N 421.294 5.141 0 3 HKAF O=C(Nc1ccc(F)cc1)O[C@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1[C@H]2Cc1ccccc1 263590814 RVKFILMUDFTQJZ-FBHBTBFLSA-N 408.517 5.248 0 3 HKAF O=c1cc(-c2ccncc2)oc2ccc(OCCCCCCN3CCCCC3)cc12 13454488 ADPUUXSSYIILOK-UHFFFAOYSA-N 406.526 5.280 0 1 HKAF O=C(O)c1ccc(C=C2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 13475202 LXLNUFVWCZUJOZ-UHFFFAOYSA-N 411.501 5.223 0 1 HKAF O=c1cc(N2CCOCC2)oc2ccc(-c3cccc4c3sc3ccccc34)cc12 13677126 JHRPCTDVYLDOPD-UHFFFAOYSA-N 413.498 5.665 0 1 HKAF O=C(c1ccc(Cl)c(Cl)c1)N1CCCC(c2ccc(Cl)c(Cl)c2)=N1 13744698 UCJIPGPBTFGJEQ-UHFFFAOYSA-N 402.108 5.941 0 1 HKAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccc2ccccc2c1 13835228 XJXAUFBQLRCHSB-MJXUZWQSSA-N 412.573 6.375 0 1 HKAF N=C(N)c1ccc2[nH]c(-c3cc(Br)cc(-c4ccccc4)c3O)cc2c1 13863703 SJOGQFLRNCUNDK-UHFFFAOYSA-N 406.283 5.254 0 1 HKAF CC(C)=Cc1c(-c2ccccc2)sc(C(C)C)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O 27630606 IOVMFFDXHBYEHC-MMKWGKFASA-N 414.567 5.562 0 1 HKAF Cc1ccc(C2=CC(C)(C)Oc3cc4ccc(-c5ccc(C(=O)O)cc5)cc4cc32)cc1 27847873 UXOKQJFJAHWGFK-UHFFFAOYSA-N 420.508 7.116 0 1 HKAF CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(Cl)cc1Cl 28758652 VBRYTAXJNUZPLZ-UHFFFAOYSA-N 408.413 7.527 0 1 HKAF CCC[C@H](CC)C(=O)Nc1ccc2c(c1)c(Cc1ccc(C(=O)O)cc1OC)cn2C 29482025 WIENUJFEQASGOK-INIZCTEOSA-N 422.525 5.241 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/c3occ4c3C[C@@H](O)CC4)CCC[C@@]21C 33954006 JDORDYYPUXBNLV-GPMOJARYSA-N 414.630 6.306 0 1 HKAF CNc1ncc2cc(-c3cccc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)ccc2n1 34636354 VJPGNKAKJWMHKN-UHFFFAOYSA-N 422.410 5.610 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)C(C)C 36330312 DILCDDZDVRXNSW-BSTPEVQJSA-N 410.384 5.268 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 36350288 GIQHGRUKLUVHHK-KYLYPISLSA-N 415.581 5.201 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](CO)[C@@H]1CC3 40165501 ORZKEIGPXNMCHC-HFSHLDMRSA-N 414.674 6.671 0 1 HKAF endogenous,in-man Cc1c(Br)c(=O)c(-c2ccc(Oc3ccc(Cl)cc3)cc2)c(C)n1O 40881050 UNPPQMBKJXUHPR-UHFFFAOYSA-N 420.690 5.578 0 1 HKAF O=C(CCc1ccccc1)[C@H]1c2ccccc2-c2ccccc2N1C(=O)c1ccco1 40973439 KZPMWFMWUONOJK-AREMUKBSSA-N 407.469 5.850 0 1 HKAF NC(=O)c1cccc(Nc2nccc(Nc3ccc4[nH]c(-c5ccccc5)cc4c3)n2)c1 45317374 XMWNIYOJZIHCMG-UHFFFAOYSA-N 420.476 5.211 0 1 HKAF Cc1cc(=O)oc2cc(N3C(=O)CS[C@@H]3c3ccc(Cl)cc3Cl)ccc12 49708494 LGDUZHHOTFPGEL-LJQANCHMSA-N 406.290 5.187 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C 64624175 OORMXZNMRWBSTK-XJIBWFFZSA-N 414.762 9.524 0 1 HKAF in-vitro CC[C@@]1(c2ccc(CSc3ncc[nH]3)cc2)Oc2ccccc2-n2cccc2C1=O 66111878 KUIUNASGCSEZQN-DEOSSOPVSA-N 415.518 5.373 0 1 HKAF COc1ccc(Oc2nc(NC3CCCCC3)nc(N(C)Cc3ccccc3)n2)cc1 82067120 ODSDGARVNWPNPZ-UHFFFAOYSA-N 419.529 5.054 0 1 HKAF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NCC3CCCCC3)nc2-c2ccccc2)C1 82133191 VLZSRCJSKDMTGV-RTBURBONSA-N 406.574 5.254 0 1 HKAF C[C@@H]1[C@@H](Nc2ncc(C(=O)N3CCCC3)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C 82151381 MSLPWLIMOWYVED-MNDZRTMASA-N 422.548 5.001 0 1 HKAF CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2cccc(F)c2)cs1 82193545 AXTHGOBRKNPHCG-UZLBHIALSA-N 403.567 5.251 0 1 HKAF C/C(=C\CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)CC/C=C(\C)CCC(=O)O 85588786 LAVCYAUSHCEKED-KYVGBUAPSA-N 414.586 6.719 0 1 HKAF endogenous,in-man C[C@@H]1CC[C@@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@]43C)[C@@H]2[C@@H]1C 85979252 DIFWJJFSELKWGA-ODBTZNBLSA-N 424.713 8.233 0 1 HKAF in-man Cc1ccc(Cl)cc1-n1c(-c2ccccc2)nc(C(=O)O)c1-c1cccc(Cl)c1 116192130 HGVSKSDYMUWDDZ-UHFFFAOYSA-N 423.299 6.520 0 1 HKAF COC1=C(C)C(=O)O/C1=C\[C@@H](C)CC/C=C(/C)CCC/C(C)=C/CCc1ccoc1 165947934 XSQCUPIVRSNKHU-XTNXNQJXSA-N 412.570 7.053 0 1 HKAF COc1cncc(C2=CC[C@H]3[C@@H]4CCC5=CC(=O)N(C)CC[C@]5(C)[C@H]4CC[C@]23C)c1 169211768 ZSDYZKQSEHAMBT-UYJNAKFGSA-N 406.570 5.115 0 1 HKAF CN1[C@@H]2C=C(N(CCc3c[nH]c4ccccc34)C(=O)c3ccc(Cl)cc3)C[C@@H]1CC2 169356227 HQHQMLBBPGIHNK-SFTDATJTSA-N 419.956 5.257 0 1 HKAF O=C(Nc1ncccc1OCc1ccc(Cl)cc1)Nc1cccc2ccccc12 206979983 BBZGNRVEWXDWQM-UHFFFAOYSA-N 403.869 6.111 0 1 HKAF CC(=O)OC/C1=C\[C@H](OC(=O)/C=C/c2ccccc2)[C@H](C(C)C)CC/C(C)=C/CC1 238746638 AWKGANINHRSJDK-PJGBLKHISA-N 410.554 5.894 0 1 HKAF COc1cc(C)c2c(c1)CC[C@@](C)(CC/C=C(\C)CC/C=C(/C)CCC=C(C)C)O2 238759148 MLDWXXNWZJMFMZ-BEWHRTECSA-N 410.642 8.287 0 1 HKAF C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 255212573 GMBQZIIUCVWOCD-ZKVUULJBSA-N 416.646 5.794 0 1 HKAF CC[C@H](/C=C\[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C)C(C)C 255214619 HCXVJBMSMIARIN-XODOBFCDSA-N 412.702 7.801 0 1 HKAF CC(C)=CCC[C@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3 255222888 KLZWTHGLLDRKHD-MRGYKMPESA-N 412.702 8.089 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257608681 WOVIRZFRRNEFES-OPCYDHTCSA-N 414.718 8.313 0 1 HKAF endogenous,in-man Clc1cc(Cl)c(Br)c(-c2nc3ccnc(Br)c3[nH]2)c1 586974103 BIPVWFAVVOMYPL-UHFFFAOYSA-N 421.907 5.457 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(Br)ncc4O)nc13)-c1ccccc1C2=O 586993510 MYHHCQSUXTTWIW-UHFFFAOYSA-N 417.262 5.285 0 1 HKAF CCCn1cnc2cc(-c3nc4cc(Cl)cc(F)c4[nH]3)cc(Br)c21 587004380 RROQNLCORCIIIC-UHFFFAOYSA-N 407.674 5.545 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Br)ccc4[nH]3)c21 587030269 ARNRVQSPTXDUOQ-LBPRGKRZSA-N 412.356 6.284 0 1 HKAF COc1cnc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)cc1Cl 587064103 ANTQYCFHHFKZJK-UHFFFAOYSA-N 406.589 5.068 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1cnn(-c3ccccc3)c1CC4)-c1ccccc1C2=O 587095985 ASWNGBATSNHMJJ-UHFFFAOYSA-N 413.480 5.706 0 1 HKAF C[C@@H](c1nc2cc(Br)cc(Cl)c2[nH]1)c1ccccc1C(F)(F)F 587096751 BCJHHNJJFNVTHZ-MRVPVSSYSA-N 403.629 6.149 0 1 HKAF CCOc1cc(/C=C\c2nc3c(Cl)c(Cl)cnc3[nH]2)ccc1OC(F)F 587131193 WJWOZRPBNFGHJJ-XQRVVYSFSA-N 400.212 5.435 0 1 HKAF Fc1ccc(/C=C(/c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c2cccs2)cc1 587164729 VRIWXNDSENCCMT-MDWZMJQESA-N 422.834 7.025 0 1 HKAF C[C@@]1(c2c(Cl)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325482 FZBQILSFWKUROL-SIKLNZKXSA-N 417.263 6.112 0 1 HKAF CCC[C@@H](C)CN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587343850 KVYXQMFEQIUMJG-UZUQRXQVSA-N 411.517 5.161 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ncc[nH]2)(C2CCCCC2)[C@H]1c1ccc(F)cc1 587350603 XLEUQDDGNMXXGK-URXFXBBRSA-N 406.457 5.089 0 1 HKAF CCc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2ccccc12 587356512 PSLGKNJEGKYLTO-JYFHCDHNSA-N 416.448 6.114 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(CN3CCCCC3)c1)CC2=O 587475985 RTXOFIUBOKVJDV-XMMPIXPASA-N 409.526 5.046 0 1 HKAF CCCC[C@H](CC)COc1ccc([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587481373 LSJLVHRZDMWMRY-UZTOHYMASA-N 424.581 6.821 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2cc3ccccc3cc21 587484504 SKAUONLHCLPIIK-NDEPHWFRSA-N 406.481 6.387 0 1 HKAF CC(C)(C)OC(=O)n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cccnc21 587516407 SIRGJYQUNRSKRJ-OAQYLSRUSA-N 418.493 5.405 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCC2)cc1Cl 587541884 GOKWMOSQMKQMMF-XUZZJYLKSA-N 421.880 5.349 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1ccco1 587545023 FZXIKZQUFTUOHN-ZJSXRUAMSA-N 418.832 5.544 0 1 HKAF C[C@]1(c2c(F)cc(Cl)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555171 FRFDIZHGXQRJLR-GHTZIAJQSA-N 402.780 5.201 0 1 HKAF C[C@@]1(c2ccc(N3CCCC3)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558682 SUXDRHXUNXBTDG-RDGATRHJSA-N 419.452 5.009 0 1 HKAF CC(C)[C@]1(c2cccc(Cl)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570773 YGQHTLYMMDNRKE-WMZHIEFXSA-N 412.844 5.698 0 1 HKAF Cn1c2c(c3ccccc31)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580886 ZVKDMPNLZASSMZ-BKMJKUGQSA-N 411.457 5.077 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CN(C)C(=O)OC(C)(C)C 587625372 GRPIFWRHZZBPLQ-UHFFFAOYSA-N 410.358 5.881 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)Nc3ccc4c(c3)OCCO4)c(-c3ccccc3)[nH]c12 587627504 ZJKLIQHPYIAHDP-UHFFFAOYSA-N 418.880 5.820 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]2c2ccccc2Cl)N1 587697164 MSVKDDZAYHTXKJ-ASNKJTAVSA-N 408.742 5.939 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCC(F)(F)F)N1 587712664 QEXCVSDNUHTPCH-BMLIUANNSA-N 418.228 5.153 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCN(Cc3ccccc3)C2)N1 587766526 NVHPSDYORQWRHT-AOMKIAJQSA-N 417.366 5.004 0 1 HKAF Cc1cc(Br)cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587784375 RHQVTGPOTDAEHL-FMIVXFBMSA-N 419.322 6.383 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3ccccc3)c2)N1 587810815 MBNOVDYPGSBQHU-RCDICMHDSA-N 412.302 6.004 0 1 HKAF Cc1ccc(-c2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587826886 GLNOIEDBOBJSOK-QKVFXAPYSA-N 400.291 5.780 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2C[C@H]2c2ccc(Cl)s2)N1 587850400 YVBMLUPGBLFMQJ-CVGOTVLTSA-N 414.771 5.856 0 1 HKAF C[C@H](Cn1nc(C(F)(F)F)cc1C1CC1)c1nc(-c2cc(F)ccc2F)cs1 587921570 HIGNRTVJYFPCCX-SNVBAGLBSA-N 413.415 5.985 0 1 HKAF CSc1ccc(C(=O)[C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cc1 962957761 OLUUVJVKRTYIMM-IBGZPJMESA-N 421.484 5.003 0 1 HKAF CCc1ccc([C@@]2(CCC3OCCCO3)NCCc3c(Cl)cc(Cl)cc32)cc1 963108444 MAOWCTJOGWDFJI-HSZRJFAPSA-N 420.380 5.488 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@]2(c1cccc(Cl)c1Cl)C1CCCC1 963117284 YGBYSWCBLWXJMT-WZONZLPQSA-N 404.356 6.587 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cccn1-c1ccc(Br)cc1 963256181 BMHSVUVUDUWIPU-GAJHUEQPSA-N 409.371 5.986 0 1 HKAF CCC[C@H](NC(=O)[C@]1(C)CCC[C@@H]2[C@H]3CCC(C(C)C)=CC3=CC[C@H]21)C(=O)OC 1857553480 CONDFNSUWLGUCV-WUDUDLAESA-N 401.591 5.189 0 1 HKAF OC[C@H]1CN(c2nc3ccc(Cl)cc3s2)Cc2[nH]c3ccc(Cl)cc3c21 1857567990 SULILXSTZJFHCS-SNVBAGLBSA-N 404.322 5.181 0 1 HKAF N[C@H](c1csc(NC(=O)Nc2ccccc2-c2ccccc2)n1)C1CCCCC1 1857581955 ALLUALHPMDBTLD-NRFANRHFSA-N 406.555 6.034 0 1 HKAF CC[C@H](C)C[C@H](C)C[C@@H]1CO[C@@H](/C(C)=C/C(=C\C=C\CC(=O)O)C(=O)O)[C@H](C)C1 1857615911 DGSITCBUNUVDBA-JXLYVUMWSA-N 406.563 5.478 0 1 HKAF Cc1cc2c(cc1C)-c1nc(C)c(Cn3cc(-c4ccsc4)nn3)cc1CCC2 1857638793 SLFJTOYAWAMQGZ-UHFFFAOYSA-N 400.551 5.531 0 1 HKAF Cc1ccc(-c2cn(Cc3cc4c(nc3C)-c3cc(C)c(C)cc3CCC4)nn2)cc1 1857757698 SEZLQJPFYUBEKP-UHFFFAOYSA-N 408.549 5.778 0 1 HKAF CCC[P@](=O)(Oc1ccccc1)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 1911577303 WOHAKZQAGRWZAR-JHOBJCJYSA-N 423.449 6.379 0 1 HKAF CC(=CCN1[CH]N(C)c2ncnc(N)c21)CC[C@]1(C)C2=CCC[C@H](C)[C@@]2(C)CC[C@H]1C 2356305487 JESXBXHCYMGUJV-PMWPQBSLSA-N 422.641 5.960 0 1 HKAF CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl 4055521 KXOFWOQTXFTHEZ-IEBWSBKVSA-N 409.288 5.141 0 1 HKAF C[C@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1)c1ccc(F)cc1 4055860 BYRLNCJUPBCBAW-GNOCETLISA-N 422.887 5.448 0 1 HKAF CCc1nc2c(n1[C@H](CC)C(C)C)C(=O)N(C)CN2c1ccc(C(C)C)cc1Cl 13582851 MDWZJZSRGGMTKH-GOSISDBHSA-N 416.997 6.011 0 1 HKAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c1nc(C1CCCC1)n2C 26655956 PRBJXJVNHLJRAG-UHFFFAOYSA-N 419.312 5.194 0 1 HKAF Clc1cccc(CO[C@@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 27524858 XKXKWEGCLRZXPJ-RRPNLBNLSA-N 417.980 6.152 0 1 HKAF CC(C)(CCCCCCCOc1ccc(CCCCc2ccccc2)cc1)C(=O)O 28224730 OHFRQQCEJAPXCV-UHFFFAOYSA-N 410.598 7.082 0 1 HKAF COc1cccc(C2=C(c3ccc(OCCN(C)C)cc3)c3ccccc3OCC2)c1 28457835 OTSFWEJMQIUSJK-UHFFFAOYSA-N 415.533 5.377 0 1 HKAF C[C@@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@@H](O)c2ccccc2)c1 29412879 OSWZXLQHCUXZDR-ZGOJTZKKSA-N 405.626 6.697 0 1 HKAF Cc1cc(Cl)cc2c1S(=O)(=O)N=C(C(=O)c1ccc(Cl)c(Cl)c1)S2 31910162 HSOONQZGJBUERT-UHFFFAOYSA-N 420.726 5.031 0 1 HKAF CC(C)(CC(=O)O)Cc1nc2cc(Cl)ccc2n1Cc1ccc(Cl)cc1F 34412301 ISNBQKOTTMNNHV-UHFFFAOYSA-N 409.288 5.574 0 1 HKAF c1ccc(C(c2ccccc2)[C@@H]2CC[C@@H]3CN2CCN3c2cccc3ccccc23)cc1 36271391 QVYKCXRORLVKGF-UHSQPCAPSA-N 418.584 6.325 0 1 HKAF Cc1ccoc1C(=O)Nc1cccc(-c2cccc(-c3nc4cccc(C)c4[nH]3)c2)c1 45168682 IFXRAJPLDCZGLX-UHFFFAOYSA-N 407.473 6.359 0 1 HKAF CC(=O)N[C@@H](C)c1ccc(-c2ccc(Oc3ccc(Cc4ccccc4)cc3)cc2)cc1 45260752 YGYXUPPPDWDIKF-NRFANRHFSA-N 421.540 6.934 0 1 HKAF Cc1ccc([C@@H](CCN(C)C)NC(=O)c2cccc(-c3ccc(Cl)cc3)c2)cc1 45283579 LVSUEMWSTVOYOI-XMMPIXPASA-N 406.957 5.738 0 1 HKAF Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2ccc(CO)cc2)c1 45353696 PPAHYKJOKMIXNQ-UHFFFAOYSA-N 409.407 6.514 0 1 HKAF N#CN1[C@H](c2ccc(Cl)cc2)CC(=O)[C@H](c2ccccc2)[C@H]1c1ccc(Cl)cc1 72172301 GTFNZNFOQZIXSK-OEMFJLHTSA-N 421.327 6.315 0 1 HKAF CC(C)CN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccccc2)n1 82132399 JHZWSFXLVDDGMS-IVOMFYJKSA-N 420.601 5.036 0 1 HKAF Cc1ccc(CCNc2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccco3)n2)cc1 82142161 DJYSCRDTEYFKHL-WIYYLYMNSA-N 418.541 5.008 0 1 HKAF Cc1nc(-c2cnc(NCCc3ccccc3F)nc2-c2ccccc2F)oc1C 82175937 VSNKXVVTFRJUKZ-UHFFFAOYSA-N 406.436 5.348 0 1 HKAF CC1(C)C=Cc2cc(CN(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)ccc2O1 84710423 RUTPGRQXBLVOJI-UHFFFAOYSA-N 423.509 5.405 0 1 HKAF CCN(CC)c1ccc(Nc2nc(-c3ccc(-c4cnc(C)[nH]4)cc3)cs2)c(C)c1 95575390 UTBFYHFFYKHJGQ-UHFFFAOYSA-N 417.582 6.407 0 1 HKAF Cc1cccc(-c2ccc(OCCCCCN3CCN(c4ccncc4)C3=O)cc2)c1 98209043 CVCFJWDRTKFPMW-UHFFFAOYSA-N 415.537 5.548 0 1 HKAF in-vitro Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@H]1CC(c1ccccn1)C2 100091080 TYLQNPVGILBSQQ-OALUTQOASA-N 423.387 6.888 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2ccc(Cl)s2)C[C@@H](c2cccs2)C1 103948698 DTXXVTJNMRQJTK-GTJPDFRWSA-N 412.967 7.092 0 1 HKAF O[C@H](C[C@H]1CCCCN1)c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1 169336010 XLEHXDWIZFWRLI-NVXWUHKLSA-N 418.381 5.352 0 1 HKAF C[C@H]1CCN(C(=O)[C@@H]2CCCN2Cc2cc(Cl)ccc2Cl)c2ccccc21 205198012 JTUZQIFHAAKUCS-BTYIYWSLSA-N 403.353 5.498 0 1 HKAF CCCCCCC(C)(C)/C=C\C/C=C\C/C=C/C/C=C\CC[C@@H](C)C(=O)NCCF 231934527 GNIZQTFYBNNAMS-RSDJGVMXSA-N 419.669 7.880 0 1 HKAF C[C@H]1CCC([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@@]32C)=NC1 238734372 MHSZHQZVWMLGKH-QKQFQSPSSA-N 413.646 5.404 0 1 HKAF O=C(O)C1=CC[C@@H]2C[C@H]3[C@H](CC[C@H](O)/C=C\C=C/c4ccccc4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 238789667 ROFUKMLUAVIQAH-BVHZPMTCSA-N 402.534 5.112 0 1 HKAF O=C1c2c(OCC3CCCCC3)cccc2OC[C@@H]1Cc1coc2ccccc2c1=O 299828746 HDYPCVYWOBRKSH-IBGZPJMESA-N 418.489 5.186 0 1 HKAF CC(C)=CCC[C@]1(C)C=Cc2c(cc3c(c2O)C(=O)C[C@@H](c2cc(O)cc(O)c2)O3)O1 473131315 OMWKLHZQLGFNOZ-NBGIEHNGSA-N 422.477 5.421 0 1 HKAF CCOCc1ccc(-c2nc3cc(Br)c(OCCC(C)C)cc3[nH]2)o1 586902178 CAUYBLDAMPLADP-UHFFFAOYSA-N 407.308 5.547 0 1 HKAF O=[S@](Cc1nc2cc(Cl)c(Cl)nc2[nH]1)C(c1ccccc1)c1ccccc1 586957632 AGJXIIWFYRTWPL-HHHXNRCGSA-N 416.333 5.303 0 1 HKAF Cc1ccc(CSCCc2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 586970916 POPVHLMJLNWDBC-UHFFFAOYSA-N 419.388 5.897 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(F)c(F)c(Cl)cc2[nH]1 586980738 FOFXPULRTQLSAJ-UHFFFAOYSA-N 422.660 6.023 0 1 HKAF O=C1c2ccccc2-c2c(Cc3ccccc3)c(C(F)(F)F)nc3ccc(O)c1c23 586985421 CVVJVFGBIWJIGG-UHFFFAOYSA-N 405.375 5.761 0 1 HKAF O=C1c2ccccc2-c2cc(CCSc3ccc(F)cc3)nc3ccc(O)c1c23 586988926 SQFKMKZZOAAQHP-UHFFFAOYSA-N 401.462 5.626 0 1 HKAF CCCOc1cc2[nH]c(-c3ccc(Br)o3)nc2cc1Br 587006667 ABVYETJVWVZPJZ-UHFFFAOYSA-N 400.070 5.137 0 1 HKAF COC(=O)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc2c1OC 587030803 LJTGLJDXLIUPRX-CYBMUJFWSA-N 421.522 5.317 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c2)c1 587049216 JELCOYGMCMEBBM-UHFFFAOYSA-N 404.750 5.919 0 1 HKAF Oc1ccccc1-c1cc(-c2nc3ccc(Cl)nc3[nH]2)c2cccc(Cl)c2n1 587081320 NUIPAWXXSBGQHZ-UHFFFAOYSA-N 407.260 5.853 0 1 HKAF Cc1ccc2c3c(cc(C4CN(C(=O)OC(C)(C)C)C4)nc13)-c1ccccc1C2=O 587097109 LLXLYLQZPWHLQP-UHFFFAOYSA-N 400.478 5.089 0 1 HKAF Cc1nc(-c2ccncc2)sc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587101394 GKJNRPDVYXVIEJ-UHFFFAOYSA-N 419.509 6.249 0 1 HKAF CC(C)Oc1cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2cc1Br 587109913 WVIWIUNWNYVVIY-UHFFFAOYSA-N 417.200 5.938 0 1 HKAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)cc2N1 587125291 DEGRZRQBYBQXEJ-SREIQFSDSA-N 423.748 5.406 0 1 HKAF COC(=O)c1cc2nc(CCc3ccccc3F)[nH]c2c(F)c1Nc1ccccc1 587150413 PCNVCJQDVPRFJR-UHFFFAOYSA-N 407.420 5.157 0 1 HKAF Fc1cc(Br)cnc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587154582 BKVFHFYPFJBPRG-UHFFFAOYSA-N 410.552 5.079 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc(/C=C/c5ccc(N)cc5)[nH]c4c3)o2)cc1 587251403 GDIPMQACXIYZJF-YIXHJXPBSA-N 409.449 5.041 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCOc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 587336501 YNHLXHZXIYVEAE-LADGPHEKSA-N 424.855 5.612 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccccc3Cl)nc1C(C)(C)C)O2 587376977 FDIAIGONIDNCDU-FQEVSTJZSA-N 409.917 5.420 0 1 HKAF CCCCOc1ccc(Br)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417847 MWGVWPFWELDUSW-IERDGZPVSA-N 417.299 5.125 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(CCCOc1ccc(Cl)c(C)c1)CC2=O 587459112 BSCLMCKFLMEVBE-HSZRJFAPSA-N 402.918 5.890 0 1 HKAF CN(C)/C=C/[C@]1(c2ccc(C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510929 HTIPDWTXSUYRDF-NUKGXUILSA-N 403.566 5.799 0 1 HKAF CC[C@H](C)c1ccc(NC(=O)C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587514919 XQSFHBUTYJDHFF-MRDQGFSESA-N 405.538 5.832 0 1 HKAF O=C1C[C@]2(CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)Oc2c1ccc1c2CCCC1 587518261 DMMYPWWPLKYXQA-OKEQGEBHSA-N 415.577 5.592 0 1 HKAF C[C@]1(c2cccc(C(F)(F)F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587548309 NKSWCZKEIWLCGV-LAUBAEHRSA-N 418.342 5.427 0 1 HKAF C[C@@]1(c2c[nH]c3cc(Cl)ccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554289 WWNTUYRZIMLGPK-REWPJTCUSA-N 405.837 5.404 0 1 HKAF O=Cc1ccc([C@]2(C3CCCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587602911 LOSNWQCWGCOLFV-BVAGGSTKSA-N 414.457 5.252 0 1 HKAF Nc1ccccc1-c1[nH]c2ccc(F)c(Cl)c2c1CN1C(=O)c2ccccc2C1=O 587631520 DHJQLYUSDLGETJ-UHFFFAOYSA-N 419.843 5.006 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Br 587676024 DSMDZTYAGRPKAI-BTDLBPIBSA-N 413.128 5.283 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cnc(Cl)cc3c2)N1 587707447 VUOFPMBDYBYTAM-DGIBIBHMSA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(C(F)(F)Cl)N1 587708077 XSOONQQBFHQCPL-DIFFPNOSSA-N 418.684 5.392 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(F)c3)nc2)N1 587727505 BLMPHIBZBLKQOH-GTJPDFRWSA-N 415.281 5.413 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)CN(C)Cc2ccccc2)N1 587738859 DDTWYPSWZXDJNF-VFNWGFHPSA-N 419.382 5.322 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cc(N(C)C)ccc3c2)N1 587754678 KNCWCONXQCJVPZ-XMHCIUCPSA-N 413.334 5.431 0 1 HKAF CCc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587756979 UAAWBJSPHPRRIJ-PEBXRYMYSA-N 413.334 5.565 0 1 HKAF Cc1noc(-c2ccccc2)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587790421 BZZMGRZXZXLRSP-WYRIXSBYSA-N 401.279 5.175 0 1 HKAF COc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 587827507 JTRFFJUVKOTTGE-XUSGNXJCSA-N 416.290 5.480 0 1 HKAF Cc1ccc(-c2nc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cs2)cc1 587849536 AOLOITYEXVWADB-BLVKFPJESA-N 417.347 5.644 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccc(-c2ccc(C)o2)n1 587859595 FXLIQQCYJPELET-UHFFFAOYSA-N 415.280 5.603 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc2ccccc12 587864492 KWGDPMBRPCLZDL-UHFFFAOYSA-N 410.395 5.809 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2sccc2s1 587867462 ZWXGYEHDXXZVCD-UHFFFAOYSA-N 422.453 5.932 0 1 HKAF Cc1cc(-n2c(OC(C)(C)C)cc(-c3ccccc3)c2O)nn1Cc1ccccc1F 587945900 SVLQNEHKPRTRST-UHFFFAOYSA-N 419.500 5.720 0 1 HKAF CSc1ccc([C@H]2CC(c3ccc4c(c3)OCCO4)=NN2c2ccccc2)cc1 653899334 BDHRYCUGUPCCDH-JOCHJYFZSA-N 402.519 5.535 0 1 HKAF CC/C(=C(\c1ccc(NC(=O)C(C)C)cc1)c1ccc(OC)cc1)c1ccc(O)cc1 653913924 SYCSKPZLMDUTTQ-QPLCGJKRSA-N 415.533 6.364 0 1 HKAF Fc1cc2c(cc1F)[C@]1(CCC2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962961680 VXLCGMDMACAUQB-QFIPXVFZSA-N 423.425 5.215 0 1 HKAF Cc1nn(C(C)C)c(C)c1[C@@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962961871 VLLTYIRVPMAYAB-OAQYLSRUSA-N 421.507 5.015 0 1 HKAF Cc1ccc(C[C@@H]2c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)c(C)c1 963852737 DTJYMOHSUUBSTJ-FGZHOGPDSA-N 423.553 5.532 0 1 HKAF c1ccc(N2CCN(CCCN3c4ccccc4Sc4ccccc43)CC2)cc1 1772629142 TXNYNDRBZGKOBC-UHFFFAOYSA-N 401.579 5.502 0 1 HKAF O=C(C[C@@H](c1ccc(Cl)cc1)c1c[nH]c2ccccc12)c1ccc2ccccc2c1 1857572024 VNFQVQRUJZOKOF-DEOSSOPVSA-N 409.916 7.379 0 1 HKAF O=S(=O)(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccc(C(F)(F)F)c1 1857581167 UCIXGTJJXBODLR-UHFFFAOYSA-N 418.396 5.314 0 1 HKAF CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(F)c2)[C@H]1c1cccs1 1857605728 KYYVYDNNYWXIGM-FCHUYYIVSA-N 422.525 5.463 0 1 HKAF COc1ccc2c(-c3ccc(-c4cc(OC)c(OC)c(OC)c4)s3)cc(=O)oc2c1 1857614506 CTODBASANXJGHX-UHFFFAOYSA-N 424.474 5.223 0 1 HKAF O=C(N1CCC=C[C@@H]1Cc1ccccc1)n1cc(-c2ccc(-c3ccccc3)cc2)nn1 1857648740 FKQUPBBZHZMZAO-RUZDIDTESA-N 420.516 5.453 0 1 HKAF CC(CCC(=O)CCCCC[C@@H](O)CC1CCCCC1)=C(C)C[C@@H](O)C(C)(C)C 2356782322 DQEHNEXJPVNFBV-JWQCQUIFSA-N 408.667 6.751 0 1 HKAF C[C@H](CC[C@H]1CC1(C)C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356826741 HJRZYGICTMFDLO-SHJMGRHHSA-N 400.691 7.469 0 1 HKAF CC(C)(C)Cc1c(-c2ccc(Br)cc2)nc2ccc(Br)cn12 61921022 AYJYMUDFQZSYIT-UHFFFAOYSA-N 422.164 6.115 0 3 HKAF COc1ccc(-c2noc(C)c2C(=O)NC2CCCCC2)cc1OCc1ccccc1 776366 MYRVWCBATWZDNS-UHFFFAOYSA-N 420.509 5.300 0 1 HKAF O=C(NCc1ccccc1)c1c(-c2ccccc2F)noc1-c1cccc2ccccc12 2482998 RNVMGBCLMTVDJX-UHFFFAOYSA-N 422.459 6.231 0 1 HKAF CC(C)(C)OC(=O)NCCC(=O)NC1(c2cc3ccccc3s2)CCCCC1 5950444 AYFQZGKBCJUBOZ-UHFFFAOYSA-N 402.560 5.092 0 1 HKAF CN1CCC(c2ccc([C@H]3c4ccc(O)cc4CCN3c3cccc(F)c3)cc2)CC1 13607730 KLHXQTWUUYOBSL-MHZLTWQESA-N 416.540 5.493 0 1 HKAF Cc1cc(-c2ccccc2)nc2c1ccn2-c1ccc(C(C)C)cc1Br 13794673 LUFGBBKPEKJDQF-UHFFFAOYSA-N 405.339 6.887 0 1 HKAF CCC1=C[C@](/C=C/c2ccccc2)(CC)[C@@](CC)(C(=O)O)[C@H]2[C@H]1[C@@H](C)C(=O)[C@@H]2CC 14713229 ALLQJQBDLUMIQH-UOVLAWSHSA-N 408.582 6.405 0 1 HKAF in-vitro CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 27213338 QASMLJURBZXYNW-DAARVABXSA-N 401.679 6.928 0 1 HKAF CC(C)O[C@H](CCc1ccccc1)c1ccccc1OC[C@@H](O)CN1CCCCC1 28636999 GMKIJWJMLADROB-JYFHCDHNSA-N 411.586 5.011 0 1 HKAF O=C1CS[C@H](C23CC4CC(CC(C4)C2)C3)N1c1ccc(Cl)c(C(F)(F)F)c1 28713253 BHGTYLCDDKQKFQ-HYSHOPAUSA-N 415.908 5.981 0 1 HKAF CCCC(=O)O[C@@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)cc21 29468645 MTCZSWRRMSDSEI-GOSISDBHSA-N 416.539 5.432 0 1 HKAF c1ccc(CCN2[C@H]3CC[C@@H]2CC(OC2c4ccccc4CCc4ccccc42)C3)cc1 31555610 KEGNCHJKYCGHJN-ZVBBVAIHSA-N 423.600 6.129 0 1 HKAF O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H](O)CC12CC3CC(CC(C3)C1)C2 40395053 HDAVZLDOGOUJJP-LKUXSMQASA-N 405.538 5.172 0 1 HKAF Clc1ccc(O[C@@H](CCn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 40894184 CSAQBTXLVSYVNH-KRWDZBQOSA-N 416.135 6.707 0 1 HKAF c1ccc(-c2csc(N3N=C(c4cc5ccccc5o4)C[C@H]3c3ccccc3)n2)cc1 43020175 KLHRADXVBZIIDK-QHCPKHFHSA-N 421.525 6.912 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CCC[C@@H]3CCCC[C@H]32)C(C)(C)CCC1 72111128 BRGUBXOKOZHFBC-ZYNNZOQKSA-N 421.669 7.699 0 1 HKAF Cc1noc(NC(=O)N2CCC3(CC2)CC(c2cccc(OC(F)(F)F)c2)C3)c1C 72317479 FYZQBJWQIXGHHN-UHFFFAOYSA-N 423.435 5.382 0 1 HKAF CC[C@H](C)Cn1c(CCc2ccccc2)nc2c(NCc3ccc(F)cc3)ncnc21 82185859 XNTDPTQGGLDBNB-SFHVURJKSA-N 417.532 5.409 0 1 HKAF Cc1c(CCC(=O)O)c(=O)oc2cc(OCc3ccc(-c4ccccc4)cc3)ccc12 95579822 DMVPDJZJSIIZFK-UHFFFAOYSA-N 414.457 5.365 0 1 HKAF O=C(Nc1ccc(F)cc1F)Nc1cccnc1Oc1ccc(C(F)(F)F)cc1 95587924 KGSRGGUIYFHPAZ-UHFFFAOYSA-N 409.314 5.815 0 1 HKAF C[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@@H]1C[C@H]1C 96903661 AOOVLQXWRHMRMX-BFPAFGTMSA-N 412.702 7.635 0 1 HKAF CCOc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=Nc2nc(C(F)(F)F)nn21 103539442 ZDACHCHZMXYAIC-MRXNPFEDSA-N 406.408 5.003 0 1 HKAF COc1ccnc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1ccc2oc3ccccc3c2c1 139843708 KZHOUIVIZGUISG-HNAYVOBHSA-N 416.477 5.108 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(C)cc2)cc1)C3 195307028 VRRMSKNGCUBGOY-OMRWOWAJSA-N 401.550 5.339 0 1 HKAF CC1=CCC[C@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@@]12C 238766090 GRIGBNHMGSNLAY-UXDJELCRSA-N 410.730 9.198 0 1 HKAF CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(C)C 255222156 JZVFJDZBLUFKCA-WIYFXXOYSA-N 412.702 7.801 0 1 HKAF COc1ccccc1[C@@H]1S[C@@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccccc1C 299811653 NBKZNTZINHCTDV-FIXSFTCYSA-N 420.509 5.848 0 1 HKAF COc1cccc(-c2cc(-c3ccccc3)nc(NC[C@H]3CC[C@H](C(=O)O)CC3)n2)c1 299821507 JOEXPGAKPZMBGH-UAPYVXQJSA-N 417.509 5.122 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 299847226 YMMFNKXZULYSOQ-WJYCFWAQSA-N 420.678 5.554 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(OC(F)(F)F)cccc4[nH]3)cc2)CC1 586880590 NDOCVULJLHEZSP-QAQDUYKDSA-N 416.487 7.593 0 1 HKAF CCOC(=O)Cc1ccc2nc(-c3ccccc3C(=O)c3cc(C)ccc3C)[nH]c2c1 586881540 HEKFOLHTBYFHAE-UHFFFAOYSA-N 412.489 5.183 0 1 HKAF Clc1cc(Cl)c(Br)c(-c2nc3ccc(Br)cc3[nH]2)c1 586975050 JLHXIZZXQQPERS-UHFFFAOYSA-N 420.919 6.062 0 1 HKAF COc1c(F)cc(Cc2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)cc1F 586987597 ZIDSDAFTEWFATQ-UHFFFAOYSA-N 403.384 5.029 0 1 HKAF COc1cccc2c1OCC(c1cc3c4c(c(O)ccc4n1)C(=O)c1ccccc1-3)=C2 586991771 QAWBCWSLPFFAIY-UHFFFAOYSA-N 407.425 5.093 0 1 HKAF Cc1ccc2c3c(c(Cc4cncc(Br)c4)cnc13)-c1ccccc1C2=O 586993857 RCVMCJMNDYJKNF-UHFFFAOYSA-N 415.290 5.503 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(Br)c(F)cc2[nH]1 587014246 JZZZXJUPHSTDGQ-UHFFFAOYSA-N 422.710 6.217 0 1 HKAF CCCCOc1cc2nc([C@H]3SCCc4sccc43)[nH]c2cc1Br 587037380 USNBETOYHGMJST-KRWDZBQOSA-N 423.401 5.945 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(Cl)cc5[nH]4)c23)cc1 587040425 ZYYVORCERDPFMA-UHFFFAOYSA-N 422.966 6.489 0 1 HKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(Br)cc(F)cc2[nH]1 587066259 LNJTUXRMYOMJJT-UHFFFAOYSA-N 404.670 5.884 0 1 HKAF Nc1ccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(C(F)(F)F)c1 587095475 GBOACFALQDBHBI-UHFFFAOYSA-N 410.424 6.108 0 1 HKAF COc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc(OC)c1OC 587097352 LROBFDFRLYZEQV-UHFFFAOYSA-N 411.457 5.447 0 1 HKAF Cc1ccc2c3c(cc(/C=C/[C@@H]4C(C)(C)CC[C@@H]5O[C@]54C)nc13)-c1ccccc1C2=O 587102046 LYGYQOVJLBICAU-LFUYOIQMSA-N 409.529 6.362 0 1 HKAF COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1CN1CCCC1 587104826 KFIMYIHHMJSQGE-UHFFFAOYSA-N 420.512 5.718 0 1 HKAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cccc(C)c4[nH]3)nc2n1 587114777 HODIFNOPHFNLNU-UHFFFAOYSA-N 405.449 5.337 0 1 HKAF Fc1ccc(F)c(SCc2cccc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c2)c1 587140584 DEEMCTHELVNLHO-UHFFFAOYSA-N 421.394 6.214 0 1 HKAF COc1ccc(C(=O)c2ccccc2-c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1F 587144360 MKEZODVQUHZWEJ-UHFFFAOYSA-N 415.346 5.022 0 1 HKAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587148400 CQUHHDVEPUISEF-IBGZPJMESA-N 419.809 6.576 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2c1 587163200 MGNFYMKYWLCNMK-UHFFFAOYSA-N 420.443 5.831 0 1 HKAF COCC[C@]1(Cc2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332056 IHEJSIPOCXGUDQ-UKILVPOCSA-N 424.443 5.047 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)CC[C@@]31Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343806 DPGXYYVBUSHIIF-BVAGGSTKSA-N 413.448 5.522 0 1 HKAF CCOC(=O)[C@H]1CCCCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587362944 MXZFXXLRVRNKEV-FQEVSTJZSA-N 415.489 6.030 0 1 HKAF C[C@]1(CCc2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587378702 WFZSADSOVAFNOI-IFMALSPDSA-N 416.901 5.997 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cccc(Cl)c1Cl)[C@@H](C2)C3=O 587422207 XKSGPFMVXZDIAA-YEJXKQKISA-N 400.261 5.281 0 1 HKAF CCSc1cc(Br)ccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587452724 OQTAQPBIEUWDLG-AUUYWEPGSA-N 405.313 5.058 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(Br)s1)(C1CC1)CC2=O 587495179 PREOAZHRAXJXMM-IBGZPJMESA-N 407.329 5.439 0 1 HKAF O=C1C[C@H](c2ccccc2Oc2ccc(F)cc2Cl)Oc2c1ccc1c2CCCC1 587504106 MORKOWTYTMSLIG-XMMPIXPASA-N 422.883 6.857 0 1 HKAF CCOc1cc(Br)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587504344 RMCXSQUKGYYOIC-SFHVURJKSA-N 417.299 5.139 0 1 HKAF Nc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)CC(=O)c2ccc3c(c2O1)CCCC3 587511285 OPEXVWGDLCPCDL-HHHXNRCGSA-N 409.485 5.442 0 1 HKAF O=C1C[C@]2(CC3(CCCCC3)Oc3cc(O)ccc32)Oc2c1ccc1c2CCCC1 587535851 ORYIFQXBTBEMTH-AREMUKBSSA-N 404.506 5.617 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1ccccc1Cl 587543542 CEPHIUNSIAOTGS-AUSIDOKSSA-N 418.836 5.139 0 1 HKAF C[C@]1([C@H]2CC=C(Br)CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547380 ZUBGMTVJIVWWKC-WMHILYHISA-N 415.283 5.191 0 1 HKAF COc1cccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 587603064 ZRKUTJFNYYWIOT-RPLLCQBOSA-N 424.452 5.771 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2)cc1O 587611283 RZFHKUPUOVYNMR-BVAGGSTKSA-N 410.425 5.468 0 1 HKAF O=Cc1cc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)sc2s1 587618638 PCIHUSVSIKEDET-XLIONFOSSA-N 408.456 5.184 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC2CC2)(c2ccc(Cl)cc2)N1 587702206 OMAQBDFIBIUNIS-YUNKPMOVSA-N 408.742 5.820 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(C(F)(F)F)c2F)N1 587710702 HKELLQTTYSHIHC-GYKQLYQFSA-N 424.182 5.509 0 1 HKAF CCCCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587713282 BXJPEQRFCXVEMY-ODXCJYRJSA-N 410.302 5.530 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OC(F)(F)F)cc2)N1 587714534 ACYLBNMWKYZGER-QGHHPUGFSA-N 418.228 5.285 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OC(F)(F)F)cc2)N1 587723418 WTXFKWCBEWVNCR-BMLIUANNSA-N 418.228 5.285 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(F)c3)nc2)N1 587733676 RSTMYDIMLHUDLJ-GTJPDFRWSA-N 415.281 5.413 0 1 HKAF CCC[C@@H](CC1(c2nc3cc(OC)ncc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587780939 AAJAUSKUHUHDPW-IBGZPJMESA-N 421.541 5.328 0 1 HKAF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(C)C 587791893 JIVMXLKALUXURU-YEJXKQKISA-N 422.338 5.255 0 1 HKAF CCCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587798148 XPWGOLXIMXSDSU-ODXCJYRJSA-N 408.311 5.009 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(c3ccc(O)cc3)CC2)N1 587831312 GVYSCZWPXBWSGY-TZHTUTLZSA-N 404.323 5.381 0 1 HKAF CC[C@@]1(Cc2nc3cc(Br)cc(Cl)c3[nH]2)CC(=O)c2ccccc2C1 587962742 ZWHHAKSMSPAYJJ-FQEVSTJZSA-N 417.734 5.747 0 1 HKAF Cc1cc(OCc2cnc(S[C@@H]3C=CCCC3)n2-c2cccnc2)ccc1Cl 621478253 KNHIANWGJPVKQZ-HXUWFJFHSA-N 411.958 6.009 0 1 HKAF Cc1cc(C)c(-c2csc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)n2)c(C)c1 653780800 VPNKZELVCHUAMW-RMKNXTFCSA-N 416.468 6.406 0 1 HKAF Cc1ccc(-c2ccc3ncc4nc(O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1 653851596 ZDXFKGBFCIOYCB-UHFFFAOYSA-N 420.394 5.669 0 1 HKAF CC[N+](CC)=c1sc2c(s1)[C@@H](c1ccc(F)cc1)Oc1ccc(Cl)cc1-2 653873478 OYOXOZPHWHZNJS-QGZVFWFLSA-N 406.955 5.563 0 1 HKAF C[C@@H]([C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](O)CCC1CC1 1857536507 HNXXYUFJNVUPGA-DXDJXUAOSA-N 400.647 6.114 0 1 HKAF CC(C)C[C@@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@]2(C)C=C[C@H](C(C)C)C[C@]12C 2356360991 SHCCLCKVNNGCHS-FEFWFVRSSA-N 400.515 5.242 0 1 HKAF O=C(O)C1=CC[C@@H]2C[C@@H]3[C@H](CC[C@H](O)C=CC=Cc4ccccc4)[C@@H]4C=C[C@@H]1[C@H]2[C@@H]43 2356401878 ROFUKMLUAVIQAH-FLYKUMDASA-N 402.534 5.112 0 1 HKAF CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1 2356429695 FMSSVYNONQQPON-CDZSUCCGSA-N 402.707 8.123 0 1 HKAF CC1=C(C(=O)OCCC[C@H](CO)CCC[C@H]2[C@@H](C)CCCC2(C)C)C(C)(C)CC=C1 2356756574 ONSSRTRCPXQQTE-WWNPGLIZSA-N 418.662 6.854 0 1 HKAF CC[C@@H](C)Sc1cccc(-c2nc3cc(C)ccn3c2NCc2ccccc2)c1 36382311 AHKNADWKRMVWFM-LJQANCHMSA-N 401.579 6.812 0 3 HKAF CC(C)c1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 775667 GNDNIVKYJFSMEV-OAQYLSRUSA-N 420.553 5.096 0 1 HKAF C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc(CSCc2ccccc2Cl)o1 4710113 VMMJQCJJGIIEKM-IAGOWNOFSA-N 421.006 5.359 0 1 HKAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](COc3ccc4ccc(=O)oc4c3)C(C)=CC[C@H]2C1(C)C 5427207 XZODJQWDEJBNRO-PCEGQDSGSA-N 424.537 5.512 0 1 HKAF biogenic Clc1ccc(-c2c[nH]cc2[C@@H](c2ccc(Cl)cc2Cl)n2ccnc2)cc1 5974191 PBNJEFLDXFIGNG-HXUWFJFHSA-N 402.712 6.476 0 1 HKAF CCCOC(=O)c1c(-c2ccccc2F)nc(CC)c(C(=O)SCC)c1CCC 13672396 UAUKAOXADWGYSE-UHFFFAOYSA-N 417.546 5.863 0 1 HKAF CC[C@]1(C[C@](O)(Cc2cc3ccncc3[nH]2)C(F)(F)F)CCCc2ccccc21 28826157 LKWHUBUSWATGLU-FGZHOGPDSA-N 402.460 5.473 0 1 HKAF CCOc1ccc(NC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)cc1 28896153 GWVFTYCSIFKPEZ-FSDIUQKZSA-N 419.609 7.555 0 1 HKAF CCCCCCc1cc(CC)c(OCCCCCC(C)(C)c2nnn[nH]2)cc1O 29567359 DYKTWDNRUGHZCE-UHFFFAOYSA-N 402.583 5.508 0 1 HKAF C[C@H](NC(=O)C(C)(C)Oc1ccccn1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 35079279 KSKXQOGPSBZBSW-PGRDOPGGSA-N 422.956 5.424 0 1 HKAF COC(=O)[C@@H](Oc1cccc(C(C)(C)C)c1)c1ccc(Oc2ccc(Cl)cc2)cc1 39242682 CZRATCNRJDCHRR-QHCPKHFHSA-N 424.924 6.723 0 1 HKAF CC(C)N(CCC(CCN(C(C)C)C(C)C)(C(N)=O)c1ccccc1Cl)C(C)C 39254118 NVFPBONSZHRVPS-UHFFFAOYSA-N 424.073 5.081 0 1 HKAF O=C(c1ccccc1)c1oc2ccc3c4c(c(=O)oc3c2c1-c1ccccc1)CCCC4 45369020 ZJVIJDBEUAAIHJ-UHFFFAOYSA-N 420.464 6.316 0 1 HKAF CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2cc(Br)ccc21 58569101 ISUCVHDUSCKYMK-UHFFFAOYSA-N 419.363 5.017 0 1 HKAF Cc1cccc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2C(=O)N(C)C2CCCCC2)c1 82145946 ACOIEZYRUXDHMG-WOJBJXKFSA-N 420.601 5.339 0 1 HKAF COC(=O)c1ccc(OCc2ccc3ccccc3n2)cc1C1(c2ccccc2)CCC1 84670124 HIADRKJZKHIKNT-UHFFFAOYSA-N 423.512 6.070 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H]1[C@@H](O)CCC[C@H]1O 101116073 XZCGVHQBCITDBO-CZYRPIEVSA-N 418.618 5.950 0 1 HKAF CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(O[C@H]2CC[C@@H](C)CC2)cc1 101231303 JSOWDDQPXGRIEY-WRGFRKCQSA-N 421.537 5.419 0 1 HKAF COc1ccc(CCN(C)CCCN(c2ccccc2)c2ccccc2)cc1OC 148355097 QQBDNTGXQNFREN-UHFFFAOYSA-N 404.554 5.407 0 1 HKAF Cc1cc(Cl)ccc1[C@@H]1c2c(n[nH]c2C(C)C)C(=O)N1c1cc(Cl)ccc1C 224899831 LLKFHNUTUJCGPX-OAQYLSRUSA-N 414.336 6.207 0 1 HKAF C/C=C(/C)[C@H](O)[C@@H](C)/C=C(\C)C/C=C\C(C)=C/Cc1nc(OC)c(OC)c(O)c1C 238758979 ZQLBCAUKNYXILZ-RZSTVKCISA-N 415.574 5.457 0 1 HKAF C[C@H]1C[C@H]1c1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)n(Cc2ccccc2)n1 299828639 SDGQPBBLLYNKGX-KBXCAEBGSA-N 414.431 5.718 0 1 HKAF CCOC(=O)c1cc(Br)c2nc(-c3ccc(CC)c(CC)c3)[nH]c2c1 586880796 SGHBIUYJGAXAQI-UHFFFAOYSA-N 401.304 5.294 0 1 HKAF O=C(c1cc(Cl)cc(Cl)c1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586985723 JNVDOZQTZFWZOZ-UHFFFAOYSA-N 420.251 5.690 0 1 HKAF OCc1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c1 586998327 JGYJRWRTLIZQOD-UHFFFAOYSA-N 409.283 5.064 0 1 HKAF Clc1ccccc1OCCn1c(-c2nc3ccnc(Cl)c3[nH]2)cc2ccccc21 587065121 ZJTCLEHOYHHPOU-UHFFFAOYSA-N 423.303 5.965 0 1 HKAF Clc1ccc(-n2cc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)nn2)cc1 587076861 XKUWKTOTXQVQDI-UHFFFAOYSA-N 401.857 5.043 0 1 HKAF CCOc1cccc2cc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)oc12 587102721 ZYZKEZPZDCLCEY-UHFFFAOYSA-N 405.453 6.567 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(SCC(F)(F)F)cc3)nc3cccc1c23 587103343 FVILSIWRJQEFRI-UHFFFAOYSA-N 421.443 6.768 0 1 HKAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(C)ccc(C)c4[nH]3)nc2n1 587114492 CDRHTYWQOWIXTE-UHFFFAOYSA-N 419.476 5.646 0 1 HKAF Clc1ccc(I)cc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 587183569 YNANWRXOIGPYDL-UHFFFAOYSA-N 424.456 5.190 0 1 HKAF Fc1c(Br)ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 587196029 NEFFJSYAYDCHIP-UHFFFAOYSA-N 410.290 5.671 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(-c4ccc(Cl)cc4)s3)nc3cccc1c23 587208687 XJVGEAWCTCIEIY-UHFFFAOYSA-N 423.924 7.495 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(C=COc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 587328270 IXSWQLWAWCSQNC-GMAHTHKFSA-N 408.812 5.345 0 1 HKAF C[C@]1(c2cc(F)c(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330313 GVOCXUVUFRQGGV-RBBKRZOGSA-N 418.798 5.737 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 587353309 OPQQJNODYHFQMW-WMBPSLEXSA-N 416.492 6.377 0 1 HKAF CC(C)c1ccc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587357910 WPICCTCLOLOVQS-AOYPEHQESA-N 404.481 6.015 0 1 HKAF COc1cccc(-c2cc(CC(=O)N(C)c3ccccc3)nc3c2oc2ccccc23)c1 587358599 ACBKNLIRXSVPMN-UHFFFAOYSA-N 422.484 5.862 0 1 HKAF CCOC(=O)[C@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@@H]1C 587363014 OOPHREHUNUINPB-QAPCUYQASA-N 415.489 5.886 0 1 HKAF COc1cccc(-c2cc(-c3cccc(C(C)(C)C)c3)nc3c2oc2ccccc23)c1 587365213 IOZDCIWWGYDIOS-UHFFFAOYSA-N 407.513 7.621 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3c(F)cccc3Cl)cc1)O2 587381909 NELZUWKNRBJJOX-JOCHJYFZSA-N 411.860 5.655 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)[C@H](c3ccccc3)C1)O2 587392549 BQMGUFHEGNLQLL-NBGIEHNGSA-N 422.525 5.053 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(-c4cc(C)ccc4C)nc4ccccn14)[C@@H](C2)C3=O 587436398 PRXFIUNDNHFOTC-AFMDSPMNSA-N 410.473 5.115 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)([C@@H]1CCOC(C)(C)C1)CC2=O 587476535 CQYINMQRMBQCGI-BCHFMIIMSA-N 408.538 5.497 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc3c(Br)cccc3s1)CC2=O 587492702 BQGIDHMNSVBDJT-KRWDZBQOSA-N 417.324 6.028 0 1 HKAF O=C1C[C@@]2(CCCc3nc(-c4ccccc4F)sc32)Oc2c1ccc1c2CCCC1 587502942 JAYUFDDQLSZMOL-RUZDIDTESA-N 419.521 6.025 0 1 HKAF COc1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1Cl 587505867 LXDSJDOLGJTASN-HSZRJFAPSA-N 408.881 6.194 0 1 HKAF C[C@@]1(c2ccc(OC[C@@H]3CCCCO3)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587509175 XLAHAQOGNALNJL-SIBVEZHUSA-N 424.512 5.533 0 1 HKAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 587539132 HVBTVPUKLFHMNL-RXVVDRJESA-N 411.251 5.166 0 1 HKAF C[C@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540593 PQSYMAXYPLATLR-GHTZIAJQSA-N 411.251 5.032 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ncc2ccccc12 587552090 NKXJJTZWKORSQK-KNQAVFIVSA-N 403.821 5.297 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C(c1ccccc1)c1ccccc1 587602017 HVLBVTVQMHARDU-SQHAQQRYSA-N 408.453 5.555 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1sc2ccccc2c1Cl 587619015 QGUNVNCZUHYKGU-LAUBAEHRSA-N 408.862 5.963 0 1 HKAF CCOC(=O)c1c([C@H]2CCCN2C(=O)OC(C)(C)C)[nH]c2c(C)cc(Cl)cc12 587627392 UPAKGJLEJRDWLB-OAHLLOKOSA-N 406.910 5.378 0 1 HKAF COc1cc(C(F)(F)F)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587715215 XHGQNBQZXBATDP-XLFHBGCDSA-N 418.228 5.239 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2c(F)cccc2Cl)N1 587717457 GBNASDJGUHOMRH-YAVQKDKNSA-N 412.705 5.844 0 1 HKAF CCOc1cc2c(cc1[C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)CCC2 587802846 VJCFEOFWYTWHGI-XUSGNXJCSA-N 404.323 5.099 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CCc4ccccc43)CC2)N1 587818305 QBOSOHZWVWQTPE-XGSULNKDSA-N 414.362 5.776 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccccc1Oc1ccccc12 587841319 MRHFFOUBPPLCRY-ZDUSSCGKSA-N 410.286 5.520 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(C3CCCCC3)s2)N1 587855349 UYTFGISKCGEMQS-VOJFVSQTSA-N 409.368 5.716 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COCc1ccccc1 587858374 GYPYRJAYZXGTQM-UHFFFAOYSA-N 405.281 5.113 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2cc(N)ccc2o1 587859359 WSXBWZZTWAOAGZ-UHFFFAOYSA-N 416.264 5.273 0 1 HKAF O=C(c1ccc2cc(Br)ccc2c1)n1nc2cc1Oc1ccc(F)cc1-2 587872228 KZEMVUMQMOCJSB-UHFFFAOYSA-N 409.214 5.399 0 1 HKAF Oc1cc(-c2ccco2)c(O)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 587938437 WUHSZSSKRPKPGR-UHFFFAOYSA-N 423.468 6.395 0 1 HKAF Oc1cc(-c2cccc(F)c2)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 587944662 GRHRRKFKFLJWON-UHFFFAOYSA-N 419.427 6.115 0 1 HKAF Cc1cccnc1C(=O)Nc1ccc(N2Cc3cccc(Cl)c3C2=O)c(Cl)c1 653739208 AHMIAXSHMNRUDM-UHFFFAOYSA-N 412.276 5.110 0 1 HKAF Cc1ccc([C@]2(c3ccc(N)cc3)NCCc3cccc(-c4ccccc4)c32)cc1C 962664531 OPSZOAMXWVOBFK-LJAQVGFWSA-N 404.557 5.990 0 1 HKAF Oc1ccc([C@@]2(c3ccc(Cl)cc3)c3ccsc3CCN2Cc2ccco2)cc1 962703129 FQSPBHHFOQBQMS-DEOSSOPVSA-N 421.949 6.050 0 1 HKAF CC(C)(C)c1ccc([C@@]2(C3CCNCC3)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963117402 YQASKLDSRVHENY-RPLLCQBOSA-N 406.589 5.387 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1sc(-c2ccc(Cl)cc2)nc1C 963256536 DHJCVURURBKVKX-GYCJOSAFSA-N 411.014 6.692 0 1 HKAF CC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1cc(-c2ccccc2C)nc2ccc(OC)cc12 1772611010 OJCPARDRPQNHLD-BKOJROOZSA-N 416.565 5.373 0 1 HKAF CCN(Cc1ccccc1)C(=O)Cn1c2ccccc2c2cc(Br)ccc21 1857633015 LURPPTACBQFTDZ-UHFFFAOYSA-N 421.338 5.606 0 1 HKAF COC(=O)[C@H](C)c1ccc(-c2ccc(NCc3nc(C)c(C)nc3C)cc2)c(F)c1 1911574087 UDFDMGPYOKAYCP-CQSZACIVSA-N 407.489 5.097 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)[C@@H](C)[C@H]1CC3 2356582494 KLLFGBWPBOBVAC-UQQLPLGWSA-N 414.718 8.025 0 1 HKAF CCC=Cc1cc(OC)c2c(c1)[C@@H](CC)[C@@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)O2 2356678351 BKCYIUQVIIDCLV-NTKDMRAZSA-N 424.493 5.596 0 1 HKAF Fc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2Cc2ccsc2)cc1 199203768 YHCRZLLEKRCLGB-UHFFFAOYSA-N 410.823 6.465 0 3 HKAF C1=C/C(=C/c2[nH]c(-c3ccc[nH]3)cc2OCc2ccccc2)N=C1CC1CCCCC1 26574568 ZXVATFIQZAGOQF-QJOMJCCJSA-N 411.549 6.911 0 1 HKAF Cc1ccc(-c2ncc(C(=O)N(C)Cc3ccccc3)nc2-c2ccc(C)cc2)cc1 28900224 WDXOXGNQRSWJIY-UHFFFAOYSA-N 407.517 5.700 0 1 HKAF COc1cccc2c1-c1ccc3c(c1[C@@H]([C@H]1C=CCCCCC1)O2)C(C)=CC(C)(C)N3 29467907 NYZPSKBMSBIASN-UZTOHYMASA-N 415.577 7.540 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34255998 UAGLKJAPRSHHAX-ZFALSOKSSA-N 420.678 5.554 0 1 HKAF CNc1ncc2cc(-c3cc(C(=O)Nc4cccc5c4CCC5)ccc3C)ccc2n1 35049806 ZYDVIGWWZRPSHL-UHFFFAOYSA-N 408.505 5.388 0 1 HKAF Clc1ccc([C@@H](c2ccccc2)N2CCN([C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)cc1 35901832 BEMCBSQBMKYLNS-ZEJPXBKLSA-N 423.044 6.406 0 1 HKAF Fc1ccc(-c2noc([C@@H]3CCC[C@H]3Nc3cnc4ccccc4c3)n2)c(Cl)c1 40916970 OZBZOTSOLNBUNS-YLJYHZDGSA-N 408.864 5.826 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4cccc(CNC[C@@H]5CCCO5)c4)s3)nc12 45191894 WVRYNYQGFUPJJD-IBGZPJMESA-N 403.551 5.535 0 1 HKAF C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 59789297 XPRWWANUPMYKMF-HVEGQNEHSA-N 410.686 7.865 0 1 HKAF Cc1cc(O)cc(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c1O 64527978 IVKONZZPWXVIBM-VHFRWLAGSA-N 420.678 7.529 0 1 HKAF biogenic CC/C(=C\C=C/C(O)(CC)CC)c1cccc(OCc2ccc(CO)c(CO)c2)c1 80345781 ZPQGIRYXMGFFNL-LNYNHBEISA-N 410.554 5.151 0 1 HKAF in-vitro Cc1oc(-c2cnc(N3CCCCC3)nc2-c2ccccc2F)nc1-c1ccccc1 82175674 REYCCPJXESJLCU-UHFFFAOYSA-N 414.484 5.903 0 1 HKAF Cc1nc(-c2cnc(N3CCCCC3)nc2-c2ccc(-c3ccccc3)cc2)oc1C 82176650 WVCNTAVVHKHLAA-UHFFFAOYSA-N 410.521 6.073 0 1 HKAF CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 104033385 JYJRYYBADGDELA-JOCHJYFZSA-N 423.509 5.345 0 1 HKAF Cc1cc([C@H](Nc2cccc([C@H](C)NCCC(=O)O)c2)C(F)(F)F)ccc1Cl 118391240 BLLOLMIAJHLICM-DJJJIMSYSA-N 414.855 5.489 0 1 HKAF COc1cccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)c1 138758928 PSDRTDCXTTVXIT-UHFFFAOYSA-N 415.923 5.458 0 1 HKAF C[C@@]1(O)CC[C@@H](c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)C1 139163604 NKMTUVVLEAOPMD-VOIUYBSRSA-N 417.534 6.246 0 1 HKAF Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(N2CCCCC2)n1 144323812 LUKMLXSWCKVFRG-UHFFFAOYSA-N 404.489 5.083 0 1 HKAF O[C@H]1CC2(N3CCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 169354978 RYCYJPVBNCYXDT-VOZKMPIISA-N 416.392 5.870 0 1 HKAF CC/C1=C(/c2ccccc2)c2ccc(OC[C@H](O)CO)cc2SCc2ccccc21 169366319 AVLURXTUGTUGMU-FKSYRZLGSA-N 418.558 5.393 0 1 HKAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCC[C@H](c2ccc(C(F)(F)F)cc2)C1 169704884 AVTYVUMSPWLWRY-GOEBONIOSA-N 402.420 5.430 0 1 HKAF Cc1nc2cc(-c3cnc4[nH]c(-c5c(F)cccc5Cl)cc4c3)c(Cl)cc2o1 299854600 ACUXZHWXNCJEBT-UHFFFAOYSA-N 412.251 6.792 0 1 HKAF COC(=O)c1ccc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2c1 586981522 DOJPLQIHVJWAOD-INIZCTEOSA-N 415.331 5.484 0 1 HKAF CC(C)(C)OC(=O)N1CCC[C@@H]1c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988483 SJXXOWYHXXXXHO-LJQANCHMSA-N 416.477 5.224 0 1 HKAF N[C@@H](Cc1ccccc1Cl)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587059407 RTPCVZDHAWZPNX-NSHDSACASA-N 418.644 5.240 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(Cl)cc2[nH]1)c1cccc(Cl)c1 587070037 FDDOMFOKYIXYBP-INIZCTEOSA-N 406.313 5.678 0 1 HKAF Cc1cc(F)c2[nH]c(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)nc2c1 587071201 KPTYLGHSTIODAV-INIZCTEOSA-N 403.885 5.472 0 1 HKAF N[C@H](Cc1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccc(Br)cc1F 587142865 OIQTXNDNXNMDHG-GFCCVEGCSA-N 403.082 5.014 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(C)cnc(Cl)c4[nH]3)c(F)c2)c1 587147568 UFCSDRPBCJKSBH-UHFFFAOYSA-N 411.820 5.100 0 1 HKAF Fc1ccc(-c2ccsc2-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1 587164875 XSUIKPOTFCHMNM-UHFFFAOYSA-N 409.230 6.138 0 1 HKAF CC(C)[C@H](c1nc2ccc(Br)c(F)c2[nH]1)N(C)C(=O)OC(C)(C)C 587197185 AHTABZVDSVISPY-CQSZACIVSA-N 400.292 5.029 0 1 HKAF Cc1cc(Br)cc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c12 587240963 STKGIKDDYGJVNR-UHFFFAOYSA-N 418.291 5.353 0 1 HKAF C[C@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330637 OJKNWYXZOPPULM-RBBKRZOGSA-N 416.370 5.824 0 1 HKAF COc1cccc(-c2cc(-c3nc4c(s3)CCCC4)nc3c2oc2ccccc23)c1 587367110 SRJNPIKALTUKGC-UHFFFAOYSA-N 412.514 6.659 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCCC(C)C)c(OC)c1)CC2=O 587483660 RPARARGNVQVLIP-VWLOTQADSA-N 412.526 5.659 0 1 HKAF CC1(C)Cc2ccc(Br)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587497201 LMAIBPQPQBORSV-QHCPKHFHSA-N 411.339 5.771 0 1 HKAF CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)cc1OC(C)C 587510273 YFULOFOLQKHOGK-OAQYLSRUSA-N 414.929 6.111 0 1 HKAF Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587516376 RXAOUVCQHKBAFW-VWLOTQADSA-N 424.500 6.026 0 1 HKAF CSc1ccc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(Cl)nc2c1 587533450 UDTKHNQFIQOHIT-OAQYLSRUSA-N 409.938 6.195 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2ccc(F)cc2)n1 587569389 ILLDQDDGQPQUQM-RDGATRHJSA-N 413.404 5.296 0 1 HKAF CCCCC[C@@H]1[C@@H](CC(=O)O)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587600451 AQLSVRSYOFLCJN-DORSAVSOSA-N 424.493 5.174 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1ccccc1 587602100 IWZFDWIBPJFPGU-SHQCIBLASA-N 408.453 5.492 0 1 HKAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccc(Br)c(F)c1 587622340 LBKARLLKTSXCFT-UHFFFAOYSA-N 423.083 5.684 0 1 HKAF Cc1ccc(C)c(Sc2c(Cc3ccccc3F)[nH]c3c(C(=O)O)cccc23)c1 587637332 GTWHIKVMNVIKKV-UHFFFAOYSA-N 405.494 6.364 0 1 HKAF CCOC(=O)C(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2ccc([C@H](C)CC)cc12 587640720 ITXHRELMWZLMIE-CYBMUJFWSA-N 417.427 6.113 0 1 HKAF CCCCn1c(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nc2ccccc21 587661418 NUSCSVKYPHUJOR-UHFFFAOYSA-N 412.468 5.342 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncc(Cl)cc2Cl)N1 587692077 ATJJBPRBXNVCCA-PWJLMRLQSA-N 404.110 5.088 0 1 HKAF COc1c(F)cc(F)cc1/C=C/[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587715469 CQVDTTMDBVWWLO-XWFYEAPPSA-N 412.249 5.164 0 1 HKAF CCOC(OCC)c1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587795156 QSTLIOHKGJNCLK-ZUOKHONESA-N 422.338 5.283 0 1 HKAF COc1ccccc1[C@@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587810962 YQCQTMYKXXOANX-LRTDBIEQSA-N 406.339 5.421 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)CCC(C)(C)O3)N1 587830870 GHDLORKESFSIAF-YUNKPMOVSA-N 404.323 5.315 0 1 HKAF CC(C)Sc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587841983 CTHRUCNCCBUHKE-RBZFPXEDSA-N 408.380 5.886 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2cccs2)N1 587852413 KWABQXUTZJVKPQ-YUNKPMOVSA-N 402.332 5.940 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3nccs3)cc2)N1 587852815 JHPLAIWLNMFODP-ZMZPIMSZSA-N 403.320 5.335 0 1 HKAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 587938305 UQOLRVWVLFRBNG-FVMDXXJSSA-N 418.337 5.446 0 1 HKAF Cc1ccccc1-c1cc(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O 587944847 IVPJYIPGCWSXHG-UHFFFAOYSA-N 415.464 6.284 0 1 HKAF CC(C)(C)c1ccc(-c2cc(O)n([C@@H](COc3cc(F)cc(F)c3)N=O)c2O)cc1 587946521 VYGSFXAIBNFFCU-IBGZPJMESA-N 416.424 5.486 0 1 HKAF CCSc1nc(N)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc(N(C)C)cc1 618016442 DJPVRGZVFJWVRH-KRWDZBQOSA-N 423.586 5.087 0 1 HKAF C[C@]1(c2nc3ccccc3s2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962647751 WJZYKCMHSUAUTD-HFZDXXHNSA-N 411.574 5.307 0 1 HKAF Cc1ccc(Sc2ccc([C@]3(C)NCCc4ccc(C(=O)N(C)C)cc43)cc2)cc1 962935143 YUCVBIBKIJUBBL-SANMLTNESA-N 416.590 5.257 0 1 HKAF CC(C)[C@H](c1ccccc1)[C@@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962950241 FEZDVLQYBDIRGZ-FGZHOGPDSA-N 403.488 5.838 0 1 HKAF CC(C)(C)c1cnc([C@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)s1 962963638 YEPXEGJBCWLVTP-KRWDZBQOSA-N 410.505 5.200 0 1 HKAF Fc1ccc([C@@]2(C[C@H]3CCCO3)c3ccsc3CCN2Cc2cccnc2)cc1 963000817 XJFDCQDREKTZPC-QPPBQGQZSA-N 408.542 5.153 0 1 HKAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)c1c(-c2ccc(Cl)cc2)noc1C 963613643 VHUAWRPMOYNTTK-JCQPUDPBSA-N 412.917 5.118 0 1 HKAF CC(C)Cc1ccc([C@H](C)c2nnc(SCc3cn(-c4ccccc4)nn3)o2)cc1 1772647015 OGFAXOQTHZAOTQ-KRWDZBQOSA-N 419.554 5.293 0 1 HKAF CCCCCCn1c(-c2cc(-c3ccc(Cl)cc3)[nH]c(=N)n2)nc2ccccc21 1857771237 LLNLQQQRKPVQEO-UHFFFAOYSA-N 405.933 5.807 0 1 HKAF CC(C)=CCCC(C)=CCC[C@@]1(C)Oc2c(Cl)c(C)c(C=O)c(O)c2C[C@H]1O 2356324427 REBFEADTNYYLME-AUSIDOKSSA-N 406.950 5.694 0 1 HKAF CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@H]2CC[C@H]2[C@H]3[C@H]4CC[C@@]3(CC[C@@]21C)C(=O)O4 2356585236 IMLYZVRFONVJHK-ZSACWVRISA-N 412.614 5.946 0 1 HKAF CC(C)=C(C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356595440 GYDFVHCETABLSQ-GVYMDSNWSA-N 414.718 8.025 0 1 HKAF Cc1ccccc1COc1cccn2c(N(C)C(=O)CCC3CCCC3)c(C)nc12 61904938 GETBPFDAKOJDFO-UHFFFAOYSA-N 405.542 5.463 0 3 HKAF O=[S@@](Cc1cc(Oc2ccc(Cl)c(Cl)c2)ccn1)c1nc2cscc2[nH]1 13448793 KBJFDQRDACOQCR-AREMUKBSSA-N 424.334 5.426 0 1 HKAF Fc1ccc(CN2CC=C(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 13493980 VKSQKCXBMWPAJE-UHFFFAOYSA-N 401.525 6.154 0 1 HKAF Cc1ccc(Oc2ccc(NC(=O)N(C)[C@H](C)[C@@H](O)c3ccccc3)cc2)cc1C 13863341 GDLDMMQGPKEHMY-NTKDMRAZSA-N 404.510 5.682 0 1 HKAF O[C@H](/C=C1\C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 13901723 WXLTVTMEQSZESS-MZPPMKSDSA-N 413.536 5.712 0 1 HKAF C[C@H](O[C@H]1CCCN[C@H]1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 13905521 AXRHJNPWSRJZKN-AGRHKRQWSA-N 417.393 6.295 0 1 HKAF CC[C@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc21 13983851 XQWUEDSGGNBHSG-UNMCSNQZSA-N 405.494 5.412 0 1 HKAF Fc1ccc(CCNc2ncnc3nc(-c4ccccc4)c(-c4ccccc4)nc23)cc1 28356413 FUHZYOBNTLEOOB-UHFFFAOYSA-N 421.479 5.548 0 1 HKAF c1ccc(Cn2c(NC3CCN(CCc4cccs4)CC3)nc3ccccc32)cc1 29563143 ABDUUDYRVQHACT-UHFFFAOYSA-N 416.594 5.265 0 1 HKAF CC/C(=C1/c2ccccc2COc2ccccc21)c1cccc(NS(C)(=O)=O)c1 34059584 UFZZMZCIWOEUKP-HIXSDJFHSA-N 405.519 5.320 0 1 HKAF COC(=O)[C@@H](Oc1ccc2c(c1)CCCC2)c1ccc(Oc2ccc(Cl)cc2)cc1 39242719 RYTVXBPOBAKECO-DEOSSOPVSA-N 422.908 6.304 0 1 HKAF O=C1COC(c2ccco2)(c2ccco2)c2cc(-c3ccc(F)c(Cl)c3)ccc2N1 40423114 BOBSETZWYSLPKM-UHFFFAOYSA-N 423.827 5.593 0 1 HKAF O=C(NCCC(c1ccccc1)c1ccccc1)[C@H](c1ccccc1)c1ccc(O)cc1 40918103 PUNUOYSYEBMZFP-MUUNZHRXSA-N 421.540 5.863 0 1 HKAF c1ccc(C2=NN(c3nc4nc5ccccc5nc4s3)[C@H](c3ccccc3)C2)cc1 40951954 YTRHOUCWHXRJHF-NRFANRHFSA-N 407.502 5.595 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)[C@H](C)CN(C)C)c4)s3)nc12 45323270 DRCJUMMGHIKDOO-MRXNPFEDSA-N 418.566 5.403 0 1 HKAF CC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C2CCCCC2)cc1 49070009 GXJIGAVSRDGBGV-UHFFFAOYSA-N 401.432 6.186 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](N)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 58497605 XBCGINQJTOMOTB-QFVWFKHQSA-N 403.695 6.406 0 1 HKAF Fc1cccc(COc2ccc(Nc3cc(Oc4ccccc4)ncn3)cc2Cl)c1 66112206 XOXCLNHQLHSKHP-UHFFFAOYSA-N 421.859 6.384 0 1 HKAF COc1ccc(-c2ccccc2)cc1NC(=O)C(Cl)(C(F)(F)F)C(F)(F)F 68574235 ABZVUUUEMJQVDS-UHFFFAOYSA-N 411.729 5.403 0 1 HKAF biogenic Brc1ccc2c(c1)ncc1nc(-c3ccccc3Br)[nH]c12 73387892 FYLUTUANTXBKKH-UHFFFAOYSA-N 403.077 5.303 0 1 HKAF O=C(OC1CCCC1)c1ccccc1CSc1c(O)oc(-c2ccccc2)cc1=O 100761345 PACPPYWZVIEFQS-UHFFFAOYSA-N 422.502 5.404 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@H]1/C(=C/c1ccc(-c4ccc(OC)cc4)cc1)CN2C3 100810557 AMHYXJZDPUGVJV-XDVNUPSGSA-N 417.549 5.039 0 1 HKAF CCc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3cc(OC)c(OC)c(OC)c32)cc1 101928017 DVXUWRPSEJJMSF-OAQYLSRUSA-N 421.537 6.125 0 1 HKAF Cc1cc(N)c2cc(NC(=O)c3cccc(-c4cccc5cccnc45)c3)ccc2n1 103236400 NXRPTEFIGACZTL-UHFFFAOYSA-N 404.473 5.593 0 1 HKAF COCC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1 114547325 AXEAZDVBFMLOLG-ZGCBMYLXSA-N 424.500 5.656 0 1 HKAF C[C@@H](NCc1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118922314 HNPFUHUXZIRHMG-YVMQSRMCSA-N 407.642 6.105 0 1 HKAF COc1cc(C)c2[nH]c(=O)c3sc(Cl)cc3c2c1-c1ccc([C@@H](C)CN)cc1 164975846 VYYKHZICQIFDGB-LBPRGKRZSA-N 412.942 5.442 0 1 HKAF CC1(C)CC[C@@H]2CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 238739567 QQKXTWZLGUEVGX-OXMLXZJDSA-N 410.686 7.987 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 255221952 JWANJDUXWSJWER-FLSWVNSFSA-N 412.702 8.233 0 1 HKAF CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@]4(C)C3=CC[C@@]21C)C(C)C 255272589 VBAXUHSGNVJSAG-QSMMTEIXSA-N 414.718 8.025 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC(=O)[C@@H]1[C@]2(C)CCCC(C)(C)[C@@H]2CC[C@]13C 257485977 MQILTVJSXIHHGW-IOAYCMFWSA-N 424.713 8.521 0 1 HKAF endogenous,in-man Cc1n[nH]c(=Nc2ccc3c(c2)ncn3-c2cccc(C(F)(F)F)c2)c2ccccc12 473102951 MBSHYKZBDQMHDC-UHFFFAOYSA-N 419.410 5.461 0 1 HKAF O=C(NCCCCCCn1c(-c2ccccc2)cc2ccccc21)Oc1ccccc1 473123234 LMGUUIRIGRVLGJ-UHFFFAOYSA-N 412.533 6.657 0 1 HKAF CC[C@H](/C=C/[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C)C(C)C 525915178 HCXVJBMSMIARIN-SBYKUVCASA-N 412.702 7.801 0 1 HKAF biogenic Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)cc1 586878643 IBNMPRXNXUSXTK-UHFFFAOYSA-N 414.358 6.061 0 1 HKAF COc1cc2nc(COc3ccc(Cl)cc3Br)[nH]c2cc1Cl 586977679 PIMBAGBSTIUJIZ-UHFFFAOYSA-N 402.075 5.220 0 1 HKAF Cc1cc(Br)ccc1OCc1nc2ccc(Br)c(F)c2[nH]1 586981598 QZZVZBUUAOHNRR-UHFFFAOYSA-N 414.072 5.114 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc4ncccc4c3[nH]2)C[C@H]2CCCC[C@@H]21 587025984 JNHVTWRAIUURAU-CZAAIQMYSA-N 416.550 5.248 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cccc(Br)c4[nH]3)c2)c1 587051188 YJANYZCWPQFLNQ-UHFFFAOYSA-N 411.686 6.125 0 1 HKAF O=C(O)c1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2cc1F 587067968 DJSGSEYZVUTVPL-UHFFFAOYSA-N 422.803 5.166 0 1 HKAF Fc1c(Br)cc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2c1F 587076643 LBCFXFAQGIRUFQ-UHFFFAOYSA-N 420.644 5.986 0 1 HKAF Cc1ccc(-c2cc(-c3nc4ccc(C(N)=O)cc4[nH]3)c3cccc(Cl)c3n2)o1 587083545 ZCQQXXLTMMPJQZ-UHFFFAOYSA-N 402.841 5.099 0 1 HKAF Cc1ccc(-c2noc(Cc3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)n2)cc1 587098368 XJEJCDDXGBDAQQ-UHFFFAOYSA-N 417.468 5.704 0 1 HKAF CCc1c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)oc2ccc(C)cc12 587102540 XBGFRTBIDURVEW-UHFFFAOYSA-N 403.481 7.039 0 1 HKAF Cn1c(=O)c(-c2cc3c4c(cccc4n2)CC3)c(-c2ccccc2)c2cc(Cl)ccc21 587209607 UCYQCGIHLOOAHH-UHFFFAOYSA-N 422.915 6.173 0 1 HKAF COc1ccccc1Nc1ccccc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 587240441 FCTNJKXOTFRRBI-UHFFFAOYSA-N 422.326 6.361 0 1 HKAF CC(=O)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328932 KXPQQFKEJDGUGU-GGAORHGYSA-N 410.828 5.028 0 1 HKAF CC(C)c1ccc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587357909 WPICCTCLOLOVQS-AHWVRZQESA-N 404.481 6.015 0 1 HKAF COc1cccc(-c2c([C@@H](C)CCCC(C)(C)O)cnc3c2oc2ccccc23)c1 587365343 GGNMSTXTYNMZOV-KRWDZBQOSA-N 403.522 6.701 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(C)(C)C)[nH]c3ccc(C(C)(C)C)cc13)O2 587396819 POJRFDCBXHBDKW-OAQYLSRUSA-N 404.554 6.360 0 1 HKAF CCc1ccc(OCc2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2OC)cc1 587397707 ALAIFKKWKRHCPR-RUZDIDTESA-N 417.505 5.434 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)(c1ccc(Cl)cc1)CC2=O 587459402 DAKBSFOWPUHCAQ-RUZDIDTESA-N 406.909 6.102 0 1 HKAF COc1ccc(OCc2ccccn2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587515264 MTZMDKHPHHALOO-VWLOTQADSA-N 415.489 5.255 0 1 HKAF COC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1N1CCCCC1 587515837 WDRNYRJXBPRPHN-XMMPIXPASA-N 419.521 5.049 0 1 HKAF Cc1ccc(Cn2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nc3ccccc32)cc1 587516463 TWNOEMPLOWHTJI-AREMUKBSSA-N 422.528 5.978 0 1 HKAF COc1ccc(O)c([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587524780 MWXYRODODHRXFQ-AREMUKBSSA-N 400.474 5.189 0 1 HKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccccc1O[C@@H]2c1ccccc1 587536044 QUIGCCDJZOOKSG-SXOMAYOGSA-N 410.469 5.286 0 1 HKAF Cc1[nH]c2c(Cl)cccc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552048 MOMFTOOXNNHGTK-XXBNENTESA-N 405.837 5.538 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1c(C(F)(F)F)cccc12 587557945 UCVUCKDUBKUXLP-SIKLNZKXSA-N 412.363 5.214 0 1 HKAF C[C@@]1(c2cccc(-c3ccncc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588279 SDMONQNDJZXWOE-OZXSUGGESA-N 409.441 5.331 0 1 HKAF CC(C)c1ccc([C@]2(C(C)(C)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587613335 YNXPXQRNJJVUQD-NVQXNPDNSA-N 418.489 5.144 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCSc1c(Cl)cccc12 587619926 VVWUGPDQCDECQK-AVRDEDQJSA-N 410.878 5.399 0 1 HKAF CC(C)(C)c1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626065 OVFUYHAXMBOJDL-UHFFFAOYSA-N 419.796 7.823 0 1 HKAF Cc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587677849 JDJYKIYQYRAHNH-QGHHPUGFSA-N 413.128 5.283 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/C=C/c2ccc(Cl)cc2)N1 587694073 GDIYHASLKGOLBO-WTKUISIGSA-N 406.726 6.087 0 1 HKAF C[C@H](C(F)(F)F)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587712210 ZZVYAJGLQKIBOS-SOZUMNATSA-N 416.256 5.564 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCSc2ccc(F)cc2)N1 587732589 NDZOXONZFGKFGE-CWTRNNRKSA-N 412.343 5.659 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2-c2ccc(F)cc2)N1 587734554 NZXBKAKNWSJNNJ-LAJNKCICSA-N 415.281 5.413 0 1 HKAF Cc1ccc(C)c(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587758746 XZODKRZATBFHDV-QRQCRPRQSA-N 413.334 5.619 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](OCc3ccccc3)C2(C)C)N1 587809551 ISRJORBERPTCFG-KEQGGVEFSA-N 418.350 5.333 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)CCC(C)(C)O3)N1 587835076 UPUAWEIGKDYFJA-MPBGBICISA-N 404.323 5.315 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2cccs2)cs1 587866905 MIGXVEHTLCRZDG-UHFFFAOYSA-N 421.469 6.142 0 1 HKAF COC(=O)c1cc2nc(-c3ccc(C)cc3OC)[nH]c2c(F)c1Nc1ccccc1 587925339 MLABFBNOQKGNGQ-UHFFFAOYSA-N 405.429 5.216 0 1 HKAF c1ccc(CN2C[C@@H]3CCCC[C@H](C2)C32NCCc3cc(-c4ccccc4)ccc32)cc1 962662673 CBMDAIGXMNNHGC-SCPSXFHPSA-N 422.616 6.017 0 1 HKAF Fc1ccc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c(OC(F)(F)F)c1 962697866 IGLAJTMAGQHSCP-BFUOFWGJSA-N 415.427 5.316 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCc2cc(C)cc(C)c2)(c2ccccc2C)N1 962951591 UEQVULTWRKSFIP-QABMSTFYSA-N 422.616 6.894 0 1 HKAF Cc1ccc(Sc2ccc([C@]3(C)c4c(F)cccc4C[C@@H]4CCCN43)cc2)cc1 963106097 QPXDGBVXXCNIPM-HFZDXXHNSA-N 403.566 6.569 0 1 HKAF COc1ccc(-c2c(Nc3ccc(NC(C)=O)cc3)c3ccccc3oc2=O)cc1 1772613528 WYIVNKISSUWWTG-UHFFFAOYSA-N 400.434 5.171 0 1 HKAF CCOP(=O)(OCC)[C@@H](N(O[C@H](C)c1cn(C)cn1)C(C)(C)C)C(C)(C)C 1857539352 JPGPKRXXXWYEON-NVXWUHKLSA-N 403.504 5.152 0 1 HKAF Clc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2Nc2ccccc2)cc1 1857595232 RZZDVUVELCFZHJ-FLFQWRMESA-N 412.345 6.631 0 1 HKAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@](C)(/C=C/c4occc4C)O[C@]3(C)CC[C@H]21 1911575838 IDJRJKPVBPHOEL-XEILCDLXSA-N 414.586 6.325 0 1 HKAF C[C@H]1CC[C@@H]([C@@](C)(O)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)NC1 2356474214 IYNBEJALSUEFDB-BEELRGJESA-N 415.662 5.065 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 2356598483 RGTQAAUWMDYDPJ-RRIYJWBCSA-N 412.702 7.657 0 1 HKAF COc1cccc(Nc2nc(-c3sc(NC(=O)CC(C)C)nc3C)cs2)c1 8579135 HPRDWUINIZYOTM-UHFFFAOYSA-N 402.545 5.312 0 3 HKAF c1ccc(-c2sc3ccccc3c2-c2ccc(OCCN3CCOCC3)cc2)cc1 61947954 GCSDETSBIAIBBS-UHFFFAOYSA-N 415.558 5.946 0 3 HKAF Fc1cccc(Cc2c(-c3cccc(Cl)c3)nc3ccc(Br)cn23)c1 72136713 BPESCKWTCQIARH-UHFFFAOYSA-N 415.693 6.147 0 3 HKAF CC1(C)Cc2c(cnn2-c2ccc(C(F)(F)F)cc2)-c2[nH]c(-c3ccc(O)cc3)nc21 13004998 CQNHABMVUKDEHC-UHFFFAOYSA-N 424.426 5.488 0 1 HKAF O=C(NCCCN1CCC(Cc2ccccc2)CC1)Nc1ccc(C(F)(F)F)cc1 13443467 UZLFFYMRSYPRFX-UHFFFAOYSA-N 419.491 5.172 0 1 HKAF O=C(O)CNc1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1 13554045 SBHIZPSBNTTYFV-UHFFFAOYSA-N 415.514 6.158 0 1 HKAF Clc1ccc2/c(=N/C34CC5CC(CC(C5)C3)C4)ccn(Cc3ccccc3)c2c1 13741400 IVKAYXWXXKNJSM-ZZIIXHQDSA-N 402.969 6.213 0 1 HKAF CCCCC/C=C\C/C=C\CCCCCCCCCCCc1cc(O)cc(O)c1 15269070 CFGQZPIKGWYREM-HZJYTTRNSA-N 400.647 8.624 0 1 HKAF endogenous,in-man CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@@H]1N(C)CCc1ccccc1 28237805 DUOSFJSYYXCVHX-FCHUYYIVSA-N 419.396 5.832 0 1 HKAF CC(=O)C[C@@H]1Oc2ccc(Cl)cc2-c2c1c(=O)[nH]c1ccc(C(F)(F)F)cc21 28524530 IPPIXSQPQWENKN-INIZCTEOSA-N 407.775 5.280 0 1 HKAF Cc1cccc[n+]1CCCCCc1ccccc1CCCCC[n+]1ccccc1C 28861759 ARNWRWDHSUKVKW-UHFFFAOYSA-N 402.626 5.704 0 1 HKAF Nc1nccn2c(C3CCC3)nc(-c3cccc(OCc4cccc(Cl)c4)c3)c12 28885303 PLOFHUNQABGGKX-UHFFFAOYSA-N 404.901 5.478 0 1 HKAF CCc1ncnc(N[C@H](CC)c2ccc(Oc3ncnc4ccccc34)cc2)c1Cl 28887541 AABSPFOYFLJQCG-GOSISDBHSA-N 419.916 5.991 0 1 HKAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](NCCCc3ccccc3)CC[C@@H]12 29417502 WAVOKPPRKZTUNS-MASCHLQQSA-N 403.610 6.142 0 1 HKAF aggregator Cc1cc(Nc2nc(Sc3cccc(Cl)c3Cl)nc3ccccc23)n[nH]1 34389391 PEPCSEJJADXCRB-UHFFFAOYSA-N 402.310 5.863 0 1 HKAF O[C@@H](c1cccnc1-c1cc(Cl)cc(Cl)c1)C(c1cccnc1)c1cccnc1 34951277 ZRXWXSZEIJIKNS-QHCPKHFHSA-N 422.315 5.711 0 1 HKAF COc1cccc(C[C@H](c2ccccc2)N2CCN(C3CCCCCCC3)CC2)c1 39233837 WMGFPHLGGKJDSZ-HHHXNRCGSA-N 406.614 5.710 0 1 HKAF CCC[C@@](O)(c1ccc(Oc2ccccn2)c(OC)c1)c1cnc2ccccc2c1 40862606 ZLCJOKMNKKBLEM-RUZDIDTESA-N 400.478 5.467 0 1 HKAF Fc1ccc(-c2noc(C3CCN(c4ccnc5ccccc45)CC3)n2)c(Cl)c1 40918850 UAGDBMZXAPYJHP-UHFFFAOYSA-N 408.864 5.461 0 1 HKAF CC(C)(C)NC(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2ccccc2Cl)CC1 42888586 MORHMPJDRCOPKR-HXUWFJFHSA-N 420.384 5.209 0 1 HKAF CC1=CC2=NC[C@H](C(=O)c3ccc(-c4ccc(Br)cc4)cc3)CN2C(C)=C1 43065714 XSSPZNFANZSTAS-FQEVSTJZSA-N 421.338 5.493 0 1 HKAF O=C1Nc2cc(Cl)ccc2[C@@]1(Cc1cccc(Cl)c1)Nc1c(F)cccc1F 43194631 FUFYOQRYQLCEGB-OAQYLSRUSA-N 419.258 5.774 0 1 HKAF CC[C@@H](C1CC1)n1nc(C)nc(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)c1=O 49054412 TUHCWFMPQIBWGI-ZDUSSCGKSA-N 421.250 5.377 0 1 HKAF Cc1cccc(C)c1COc1ccc2c(OCc3ccccc3)cc(C(=O)O)cc2c1 71317897 UBSJOEUGZCQLLT-UHFFFAOYSA-N 412.485 6.313 0 1 HKAF CCCCCCC(C)(C)c1cc(OC)c([C@H]2[C@H](O)[C@]3(C)CC[C@H]2C3(C)C)c(OC)c1 72315129 VTTPPQRKLCGACC-DLLPQZIASA-N 416.646 6.852 0 1 HKAF Brc1ccc2c(c1)ncc1nc(-c3ccccc3-c3ccccc3)[nH]c12 73221573 PJTZQPFLWJJTRU-UHFFFAOYSA-N 400.279 6.208 0 1 HKAF CCCCCc1nc(-c2cnc(NC3CCCC3)nc2-c2cccc(C)c2)oc1C 82167403 HJHCUIROQSBJQV-UHFFFAOYSA-N 404.558 6.503 0 1 HKAF COc1cc([C@H]2OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]23)ccc1O/C=C\C(C)C 85774815 NXUQPWMHPDPMCA-OYKNCEOOSA-N 424.493 5.048 0 1 HKAF in-man Cc1ccc(-c2cccc([C@H]3COc4cc5c(cc4O3)OC[C@H]5CC(=O)O)c2)c(C)c1 96269865 YXWBBFNTKPYWQI-KBMIEXCESA-N 416.473 5.434 0 1 HKAF COC(=O)c1ccccc1OCCCCCCn1c2ccccc2c2c(O)cccc21 96914729 SRWMAKCGKDSFNJ-UHFFFAOYSA-N 417.505 5.926 0 1 HKAF c1ccc2c(c1)CN([C@H]1CC[C@@H](c3ccc(OCCCN4CCCCC4)cc3)CC1)C2 101437322 IEPREURIPCPAKP-JIBACQESSA-N 418.625 5.983 0 1 HKAF C=C/C(C)=C\CC/C(C)=C/c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)co1 103283692 LHNJCZMEVNRERC-RLUWWLTGSA-N 404.554 5.553 0 1 HKAF Cc1cnc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(F)cc2)o1 105191756 ADDVVGADPFVQPI-QHERXFFYSA-N 406.505 5.729 0 1 HKAF Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc([C@H](C)N=O)ccc1Cl 169718351 VVVYJUKBUKITLK-JTQLQIEISA-N 404.253 6.037 0 1 HKAF C/C(=C\C(=O)O)c1ccc(Oc2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1 221174990 RTAIPQHYTUMJNG-WYMLVPIESA-N 418.470 6.260 0 1 HKAF Cc1nc(-c2ccc(C(F)(F)F)cc2)nc(OCCCN2CCCCC2)c1Cl 299820091 FOQIUEANGGHCRI-UHFFFAOYSA-N 413.871 5.379 0 1 HKAF CC(C)(C)c1cccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586985781 RPJLOKJJSXWRPK-FQEVSTJZSA-N 412.375 5.808 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(Cl)c(C)c3[nH]1)N2 587030541 FLKBJUWSLGWGEL-DKTFCQPKSA-N 418.975 5.652 0 1 HKAF CSc1ccc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 587031032 NSTJLYUBAQZYTE-SHLUWWQESA-N 416.597 5.412 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587034455 NCEBQIQMBVEAKC-HNNXBMFYSA-N 417.456 6.068 0 1 HKAF Cc1onc(-c2ccccc2)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587095974 DSFJITUFBOBJDA-UHFFFAOYSA-N 402.453 6.385 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(Oc5ncccn5)cc4)nc13)-c1ccccc1C2=O 587096299 GXWNKASESPRAMF-UHFFFAOYSA-N 415.452 6.004 0 1 HKAF N[C@H](N=O)c1ccc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc2c1 587114592 VLFLNXXZXBVLGM-LJQANCHMSA-N 412.371 5.765 0 1 HKAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587148759 FVVGWNIRWHUOIG-LJQANCHMSA-N 417.431 6.515 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(Cl)c1 587159614 QXDINFOKJOYFPW-IBGZPJMESA-N 424.756 6.080 0 1 HKAF Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)c1coc2ccc(Cl)cc12 587278403 LRCUGOKHAOSKTH-UHFFFAOYSA-N 406.652 6.587 0 1 HKAF C[C@]1(c2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334746 PWFBBGAPFDYKSC-RBBKRZOGSA-N 400.808 5.598 0 1 HKAF CC(C)c1ccc2c(c1)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355717 GIMOGNQUUUJEOD-AOYPEHQESA-N 418.464 5.692 0 1 HKAF CCOC(=O)[C@@H](C)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CC 587362637 LKTYNIVMVGIRMV-HNNXBMFYSA-N 403.478 5.886 0 1 HKAF COC(=O)C[C@@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587363332 RAVCOHIDQMTJBD-OAHLLOKOSA-N 401.462 5.325 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@]2(C(=O)O)CC[C@H]3C2(C)C)c1 587364934 AXPMCJIITODQMY-QUGAMOGWSA-N 413.473 5.896 0 1 HKAF Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587389607 BLVXQIZBOSEYDS-VWLOTQADSA-N 423.516 5.504 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc3c1N(C(=O)OC(C)(C)C)CC3)CC2=O 587475869 QOHKJQJGYVKHCZ-OAQYLSRUSA-N 423.509 5.349 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCc3c(OCc4ccccc4)cccc31)CC2=O 587481648 RFEKFTQBVCPKTO-HHHXNRCGSA-N 414.501 5.731 0 1 HKAF CN(C)/C=C\[C@]1(c2cccc(OC(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587503199 GANQQCAGPNGWBC-JPFBCYGGSA-N 413.464 5.103 0 1 HKAF O=C1C[C@H](c2c(-c3ccccc3F)nc3sccn23)Oc2c1ccc1c2CCCC1 587504872 NZDAYGDCPGIAQA-HXUWFJFHSA-N 418.493 5.787 0 1 HKAF O=C1C[C@@](Cc2cccc(F)c2)(c2cccc(F)c2)Oc2c1ccc1c2CCCC1 587508137 YYTSRKQFUNYOHB-SANMLTNESA-N 404.456 5.947 0 1 HKAF O=C1C[C@H](c2nc(-c3ccc4c(c3)OCO4)cs2)Oc2c1ccc1c2CCCC1 587534128 AYWOPABLJDNNTH-OAQYLSRUSA-N 405.475 5.124 0 1 HKAF C[C@]1(c2cnc(-c3ccc(Cl)cc3)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587535452 KYEFJRFJHGNFQK-HSZRJFAPSA-N 409.938 6.223 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1OC(F)F 587558229 VQTLGTIEJOZUNB-YLJYHZDGSA-N 418.779 5.350 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(F)c2)nc1 587570548 LGAVKEZQGNBFSO-RDGATRHJSA-N 413.404 5.296 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(O)c2)cc1 587609620 OJNFMTPTWXPZFN-BVAGGSTKSA-N 410.425 5.468 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccsc2)s1 587609747 DEHJCCUKGCTUMB-KNQAVFIVSA-N 406.484 5.885 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OC(F)(F)F)N1 587722219 RPNFINLZQJMINU-XXFAHNHDSA-N 404.201 5.110 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2[nH]c2ccc(F)cc32)N1 587727768 DHJAMVFNHCMCRV-WIUDPPPLSA-N 417.297 5.323 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(c3ccc(F)cc3)CC2)N1 587731588 HIZJGNXJEHXOPN-PCODGMICSA-N 406.314 5.815 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccc(F)cc3)n2)N1 587736760 UDKCMUDDUATJJV-XUSGNXJCSA-N 415.281 5.413 0 1 HKAF CCCOc1cc2c(cc1[C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)CCC2 587789542 CMQCVDIZEKAOCV-XMHCIUCPSA-N 418.350 5.489 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](OCc3ccccc3)C2(C)C)N1 587813290 UEROWOVWCPKLSZ-XDCJIHQESA-N 418.350 5.333 0 1 HKAF Cc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 587831086 VWEDMHBRFRBFOF-LAJNKCICSA-N 400.291 5.780 0 1 HKAF COc1ccc(CCCc2nc3cc(Br)cc(Cl)c3[nH]2)cc1OC 587926917 PUNSBJOFLLRTTB-UHFFFAOYSA-N 409.711 5.171 0 1 HKAF COc1cccc(C(=O)c2ccc(-c3nc4c(C(F)(F)F)cc(F)cc4[nH]3)cc2)c1 587933243 VYDGGENLHIPVQS-UHFFFAOYSA-N 414.358 5.627 0 1 HKAF CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(F)cnc2[nH]1 587957397 KWAAZCFMIZJMMM-UHFFFAOYSA-N 417.657 8.537 0 1 HKAF CC1(C)[C@@H](O)CC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@H]2CC[C@@H]2[C@@H]([C@]3(C)CCC(=O)O3)CC[C@@]21C 685935531 AHDUWGQSZYSNEY-SABSBDBGSA-N 416.646 6.128 0 1 HKAF biogenic,in-vitro CC(C)c1nc([C@]2(C)c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)co1 961744650 AGLZHDPKWHMOCH-DEOSSOPVSA-N 411.546 5.213 0 1 HKAF CCC[C@]1(c2c(C)c3ccccc3n2C)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962573468 SBHIQNKFFACINH-MRDQGFSESA-N 406.570 5.424 0 1 HKAF CCc1ccc([C@]2(c3ccnc(C)c3)c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1 962622260 BKUOSYIJKCCIJD-PPHZAIPVSA-N 416.565 5.138 0 1 HKAF O=C(O)c1ccc(-c2cccc([C@@H]3NCCc4cccc(-c5ccccc5)c43)c2)cc1 962659362 GCGIVCVDDRYWTI-MHZLTWQESA-N 405.497 5.954 0 1 HKAF Cc1ccc(C2(c3ccc(C)cc3)c3ccsc3CCN2Cc2cccnc2)cc1 962999391 RHEIYEKQRDNYQW-UHFFFAOYSA-N 410.586 6.110 0 1 HKAF CCOC(=O)C(C)(C)C[C@@]1(c2ccc(SC)cc2)NCCc2c1sc(C)c2C 963014282 UQLDDWAMZQXXLP-QHCPKHFHSA-N 417.640 5.456 0 1 HKAF COc1cccc([C@@]2(c3ccsc3)c3cccc(Br)c3CCN2C)c1 963280808 PIFNDEUOXSDYKY-OAQYLSRUSA-N 414.368 5.299 0 1 HKAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]21CCc2ccc(C)cc21 963903811 HOFUYNNIAKAUFP-FQRUVTKNSA-N 421.537 5.130 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](Nc3ccc(O)cc3)C[C@H](CCO)C[C@@]21C 1772598894 MQYPUDKGWGBTFE-BAPBPKJFSA-N 401.635 6.460 0 1 HKAF Cc1ccc(NC(=O)[C@@H](C)c2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)nc1 1857633904 HMQQYHAUCXGHDA-AWEZNQCLSA-N 400.404 5.290 0 1 HKAF O=C1CN(Cc2ccsc2)[C@H](c2ccccc2)c2cc(Br)ccc2N1 1911578976 CLAPGIYILDBWHR-HXUWFJFHSA-N 413.340 5.054 0 1 HKAF C[C@@H]1CCC[C@@H]2[C@]1(C)CC(=O)[C@@H]1[C@]2(C)CC[C@]2(C)[C@@H]3CC(C)(C)CC[C@@]3(C)C=C[C@]12C 2356451610 LONJPWUFRBKLHQ-ZOJCFPIQSA-N 424.713 8.233 0 1 HKAF C[C@@H]([C@@H]1C=C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CCCCCN1C 2356457112 CYFQJGWMRWJPGL-QXQBOUCVSA-N 411.674 6.213 0 1 HKAF COc1ccc2c3c(c(=O)oc2c1)[C@H](C)[C@@](C)(CCC=C(C)Cc1cc(C)co1)O3 2356492953 GKKFSJKWTPVFGM-SSOJOUAXSA-N 408.494 5.927 0 1 HKAF CC[C@H](C)C=CC=CC=C1CO[C@H](c2c(O)c(-c3ccccc3)cn(O)c2=O)[C@@H](C)C1 2356494593 IXMWFEZJSGIEGP-MHPIHPPYSA-N 421.537 5.641 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC=C5[C@H](CC[C@H](O)C5(C)C)[C@@H]4CC[C@]3(C)[C@H]2C1 2356538802 RBANQYSPMJFZBG-GPJHSRBZSA-N 412.702 7.779 0 1 HKAF CC(C)[C@@H]1CC[C@]2(C)C1=CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(C)(C)CC[C@@]3(C)CC[C@@]21C 2356571109 IVGYNKMUKVTWBT-BIGKWKKFSA-N 408.714 8.974 0 1 HKAF CC(=CCCC1=CC(=O)O[C@@H]1O)CC=C[C@](C)(O)CCC1=C(C)CCCC1(C)C 2356658120 GSUNQYAOGZKXEY-ZCYQVOJMSA-N 402.575 5.519 0 1 HKAF CC(=O)OC[C@H](O)COC(=O)C[C@H](C)CC[C@]1(C)C2=CCCC(C)(C)[C@@H]2CC[C@@H]1C 2356671432 ZDOKOBAWCCHHEY-ITERFQPLSA-N 422.606 5.059 0 1 HKAF CC1(C)C2=CC[C@@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC[C@@H]1C(=O)O 2356700143 YGLGULHMTYKQDP-LXCQDZEBSA-N 402.619 6.063 0 1 HKAF Oc1ccccc1-c1nc(-c2nc3c(Cl)cccc3c3c(Cl)c[nH]c23)cs1 2356859399 SUEYFBRHOFKAFG-UHFFFAOYSA-N 412.301 6.519 0 1 HKAF C[C@H]1[C@@H](OC(=O)Nc2cccc(C(F)(F)F)c2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205708540 VKQMIXUSEWMNPT-BBTHKVSRSA-N 424.463 5.214 0 3 HKAF Cc1c2c(cc3occc13)[C@]1(C)CCCC(C)(C)[C@@]1(O)[C@@H](OC(=O)c1ccccc1)C2 14883764 IEHCQOHUOBIHHN-YGPDHOBYSA-N 418.533 5.722 0 1 HKAF biogenic O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2ccccc2[C@H]1CN1CCCCC1 26578909 MGNLKYVBGWLQQJ-JOCHJYFZSA-N 417.380 5.148 0 1 HKAF CC(C)=CCC[C@H](C)C1=C(O)[C@@](CCc2ccccc2)(C(=O)NC(C)(C)C)OC1=O 26837674 JHSYOWGHTHLLSW-BVZFJXPGSA-N 413.558 5.024 0 1 HKAF COc1ccc(Cl)c(-c2nnc3sc(-c4cc(C)nc5ccccc45)nn23)c1 28712864 UHXNLHPPHVTSHV-UHFFFAOYSA-N 407.886 5.038 0 1 HKAF CN1CCC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 28765214 GNEJSXZGFJSOEX-OALUTQOASA-N 417.393 6.076 0 1 HKAF CC(C)(c1cc(-c2cccc(-c3cccnc3)c2)c2ncccc2c1)S(C)(=O)=O 29037749 FLOHHFDEWSPOAZ-UHFFFAOYSA-N 402.519 5.244 0 1 HKAF CNc1ccc(/C=C/c2ccc(-c3nc4ccc(OCCCF)cc4s3)cc2)cc1 29129053 ZGFRZAWOVSDZKW-ONEGZZNKSA-N 418.537 6.914 0 1 HKAF CCN(Cc1cscn1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl 35969236 OSFMRGZJJJLNPN-UHFFFAOYSA-N 418.790 5.135 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=C(CCC(C(=O)O)=C4)[C@H]3CC[C@]12C)C(C)C 40737262 RCMWHBBFUREBAM-BKYNKYDCSA-N 413.602 5.586 0 1 HKAF CCCc1cc(=O)oc2cc(-c3cccc4c3Sc3ccccc3S4)cc(O)c12 43069305 MFMRXHNPEYIWIC-UHFFFAOYSA-N 418.539 6.734 0 1 HKAF CN1CCc2cc(NC(=O)c3cc4ccccc4s3)cc(-c3ccccc3)c2CC1 45335097 ASASAVQRRQCNEG-UHFFFAOYSA-N 412.558 5.851 0 1 HKAF CCOC(=O)[C@@H](CC)CCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1 59029405 UHTNRRRVPYSFKW-QFIPXVFZSA-N 418.581 6.675 0 1 HKAF COC(=O)[C@@H]1C=C[C@@H]2C[C@H]3[C@H](CCCCCCCc4ccccc4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 59046521 OVQNZDVEWYMACH-SVIYCKGTSA-N 404.594 6.229 0 1 HKAF CN(C)C[C@H]1CCc2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)ccc2C1 72113729 BXCOFLLLXKXLRK-SFHVURJKSA-N 418.968 5.926 0 1 HKAF CCCCCn1c(-c2ccsc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188239 KZIYCJWSVZMZQA-QGZVFWFLSA-N 405.571 5.961 0 1 HKAF CC(=O)N[C@H]1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1 84668569 DZFJCOBMNWBMOF-KRWDZBQOSA-N 416.308 5.196 0 1 HKAF [18F]CCn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1 101644154 OKSASUFSNRSZFA-FMLNDMEQSA-N 423.482 5.709 0 1 HKAF Clc1ccc(C23CCN(CC2)Cc2cc(OCCCc4cccnc4)ccc23)cc1 114348662 LITXWCJWLOYNDV-UHFFFAOYSA-N 418.968 5.642 0 1 HKAF CN1[C@H]2CC[C@H]1CC(O[C@@H](c1ccc(F)cc1)c1ccc(Br)cc1)C2 140112040 UYDBIVZVAQJVFB-IRFCIJBXSA-N 404.323 5.319 0 1 HKAF CC[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCC(=O)O)[C@@]2(C)CC[C@@H](O)C[C@@H]12 141788774 HSZUVMCPJMHLOH-DFVHWATJSA-N 404.635 6.143 0 1 HKAF C[C@@H](CCC[C@@H](C)CC[C@@H]1[C@@H](C)CCCC1(C)C)CC(=O)Nc1ccc(O)cc1 169307641 UUDJTOPCDKTLHE-MDAIXWLXSA-N 401.635 7.406 0 1 HKAF C[C@@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(C[C@@H]3CCCCO3)C[C@@H]12 169373630 RWRVBLQXKOJFGU-HIRMHNASSA-N 406.492 5.354 0 1 HKAF CCc1ccc([C@H]2Nc3ccc(Cl)cc3C(=O)N2Cc2ccc(F)cc2)s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c2c(-c3c(Cl)cccc3Cl)noc2C)CC1 261188700 YHVDQBFBKGXKDA-SHTZXODSSA-N 424.372 5.340 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@H]1CC3 261516997 CYEADWAQMXQSDD-UCYJDGDGSA-N 400.691 7.923 0 1 HKAF CCOCc1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)o1 586903955 WFNRSYYXDBQXAS-UHFFFAOYSA-N 405.170 5.021 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(-c2ccccc2)ccc1C3 586989723 CYQLKAMYJUSLQU-UHFFFAOYSA-N 411.460 6.390 0 1 HKAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2nc(Cl)c[nH]c-2n1 587019324 XJHJUCZFRLAZDD-UHFFFAOYSA-N 424.744 5.714 0 1 HKAF COc1cc(/C=C/c2nc3ccc4ncccc4c3[nH]2)cc(Cl)c1OCC(C)C 587047605 YPEDBMLDWKGEHV-RMKNXTFCSA-N 407.901 5.978 0 1 HKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2nc(Cl)nc(C(F)(F)F)c2[nH]1 587065973 BOOFNLKIVILCOJ-UHFFFAOYSA-N 412.202 5.445 0 1 HKAF CC(C)Oc1ccc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 587072685 USROMGVPTKHYNX-ZQWCFFHNSA-N 415.364 7.023 0 1 HKAF CCCOc1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1Br 587149763 AYJNUPWKNDIILR-NWDGAFQWSA-N 407.258 5.664 0 1 HKAF CC(C)CCOc1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c2cc1Br 587160624 DYAVDBDSLGRGTA-JKSUJKDBSA-N 417.322 6.161 0 1 HKAF Cc1c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc(-c2ccc(F)cc2)n1C 587165698 JTCOUQPTGIHJJE-UHFFFAOYSA-N 407.798 6.355 0 1 HKAF COc1ccc2c(c1Cl)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327246 GBMPRWDMYUHHFW-ZJSXRUAMSA-N 424.855 5.394 0 1 HKAF O=C1c2ccc(O)cc2OC2(CCN(CC3CCCCC3)CC2)[C@H]1c1ccc(F)cc1 587346597 SCTNMCCOHJDPJF-DEOSSOPVSA-N 423.528 5.305 0 1 HKAF CCOC(=O)[C@H](C)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CC 587362638 LKTYNIVMVGIRMV-OAHLLOKOSA-N 403.478 5.886 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(Cl)ccc1N)(c1ccccc1Cl)O2 587379051 RMEPPPBKCCXOGG-JOCHJYFZSA-N 413.304 5.375 0 1 HKAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1CSc1ccccc1 587411443 ZYNCKKNPMAZGPW-HSZRJFAPSA-N 405.519 5.585 0 1 HKAF CCCC[C@]1(c2ccc(OC(F)(F)F)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 587463526 BKUZDVKXSZEBJE-JOCHJYFZSA-N 422.443 6.294 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCN(Cc3ccccc3)c3ccccc31)CC2=O 587473736 BUVUANYGYVUJTM-HHHXNRCGSA-N 413.517 5.616 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccccc3)cc1C)CC2=O 587482346 SSEHAGQWFGAQPV-RUZDIDTESA-N 402.490 5.939 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OCc3ccccc3)c1)CC2=O 587484041 XDEUYLJFZIQLBQ-XMMPIXPASA-N 418.489 5.639 0 1 HKAF Cc1ccc([C@]2(COCC(F)(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587498418 IEYLIYVDKAJGCM-JOCHJYFZSA-N 404.428 5.313 0 1 HKAF COc1cccc(NC(=O)C(C)(C)C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587511358 JYRSUWVWHHBVQU-OAQYLSRUSA-N 407.510 5.265 0 1 HKAF Cc1[nH]c2c(C)cccc2c(=O)c1CC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587524168 JICBLBFLECWLOA-MHZLTWQESA-N 415.533 5.380 0 1 HKAF O=C(O)c1ccoc1COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533287 PETQMTXPENHLPT-JOCHJYFZSA-N 418.445 5.142 0 1 HKAF C[C@@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538436 DVMGHSIFKRZUKD-RXVVDRJESA-N 411.251 5.032 0 1 HKAF CCOc1ccc(Cl)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544039 DGRVNTZENXERSZ-OFNKIYASSA-N 410.853 5.321 0 1 HKAF C[C@@]1(c2cc(Cl)c(N)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545286 OOGBWNMUXGEYOS-UTKZUKDTSA-N 416.260 5.158 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1Cc1ccc(Cl)c(Cl)c1 587547916 VJUFWDZQBGNJCH-MOPGFXCFSA-N 401.245 5.272 0 1 HKAF Cc1ccc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)nc2c1 587552135 NUDYBYWKJVNQHE-NFBKMPQASA-N 417.848 5.605 0 1 HKAF CC1=C(CC[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(C)(C)CCC1 587601779 HJASWXKRERVXTH-BKMJKUGQSA-N 406.522 6.419 0 1 HKAF CCOC(=O)Cc1[nH]c2cc(Cl)c(F)cc2c1-c1cc(F)c(Cl)nc1Cl 587628804 ANPZJQFQRRIFQS-UHFFFAOYSA-N 419.642 5.574 0 1 HKAF COc1ccc(C(F)(F)F)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587713704 UKBVJJPTPSHETM-XYZCENFISA-N 418.228 5.239 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2CCC(C(F)(F)F)CC2)N1 587716554 DLLZBWGFWVKPFM-ZOCFFKTBSA-N 408.277 5.706 0 1 HKAF Cc1ccc([C@]2(c3cccnc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587771291 BUTSZSKPJYVHKO-IVZQSRNASA-N 411.318 5.118 0 1 HKAF CCCCOc1c(OC)cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587794591 OWEIYFKUTLPZMX-RNODOKPDSA-N 422.338 5.399 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Nc1ccc(Cl)cc1 587855203 MMPJANXDPCOCAQ-UHFFFAOYSA-N 410.688 5.989 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(O)c(Cl)c1 587864611 PXRLSORXMHGWRX-UHFFFAOYSA-N 410.779 5.015 0 1 HKAF Oc1ccc(OCCc2ccccc2)n1-c1cnc2cc(Br)ccc2c1 587940333 OOIQORZQLDMLBR-UHFFFAOYSA-N 409.283 5.115 0 1 HKAF CCCCOc1cc2nc(/C=C\c3cccc4ccccc34)[nH]c2cc1Br 587966957 FNDWYPQERFIVHL-QXMHVHEDSA-N 421.338 6.828 0 1 HKAF COC(=O)c1cc2c(F)c(F)c(Oc3ccccc3Br)c(F)c2s1 653767921 RFEHGUHATKJSFD-UHFFFAOYSA-N 417.202 5.660 0 1 HKAF COc1ccc(C)cc1[C@]1(C)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961778304 QILVDSOEVPGZCL-SANMLTNESA-N 422.569 5.418 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@@]12CCCc1ncc(C(F)(F)F)cc12 962375618 OEGQSGZSVINFTI-OAQYLSRUSA-N 417.500 5.139 0 1 HKAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2cccc(-c3ccccc3C(F)(F)F)c2)N1 962909276 WRCQKWPMLICPTO-LEWJYISDSA-N 415.386 5.200 0 1 HKAF Cc1ccncc1[C@@]1(c2ccc(C(F)(F)F)cc2)NCCc2c1sc(C)c2C 963018428 FOGOEIMRZLNDOP-OAQYLSRUSA-N 402.485 5.525 0 1 HKAF Fc1cccc([C@]2(c3cncc4ccccc34)c3c(F)cccc3C[C@@H]3CCCN32)c1 963096870 GNWRIUZDUVHSBH-CUNXSJBXSA-N 412.483 5.825 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@H]1c1cc(C)c(OCc2csc(C)n2)c(C)c1 963227536 JLMFZCBCFPEDIZ-KBMIEXCESA-N 420.622 6.393 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@H]2[C@H]1CCCN(c2ccc(C(F)(F)F)cc2)C1 963269904 MIYGIVFYXLPCGG-QKKBWIMNSA-N 424.894 5.471 0 1 HKAF Cc1ccc(CC[C@]2(c3ccc(Cl)cc3Cl)NCCc3ccc(O)cc32)cc1 963352479 LLJWTJYIRGQCJQ-XMMPIXPASA-N 412.360 6.030 0 1 HKAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1sc(Oc2ccccc2)nc1Cl 963585320 UQMUCMNLVXCQTG-KZULUSFZSA-N 416.930 5.230 0 1 HKAF Cc1cc(=O)oc2cc(OCc3cc(-c4cc(Cl)cc(Cl)c4)no3)ccc12 1772614433 YFPZPYJTEXZIMB-UHFFFAOYSA-N 402.233 5.642 0 1 HKAF Fc1cccc(CC[C@@H]2CN(Cc3c[nH]c4cc(Cl)ccc34)CCC2(F)F)c1 1772648255 ZVCUADMMQIXFGZ-QGZVFWFLSA-N 406.879 6.050 0 1 HKAF COc1ccc(C)cc1-c1cc(Cl)cc([C@@H](CC(=O)O)c2ncc(C)s2)c1 1772655541 LHJJWUVTKBFYMN-GOSISDBHSA-N 401.915 5.696 0 1 HKAF Clc1ccc(-c2ccc(Nc3ccnc(NCCN4CCCCC4)n3)cc2)cc1 1857559700 VHNQUHDEEYWNTO-UHFFFAOYSA-N 407.949 5.438 0 1 HKAF COc1cc(-c2c(OC)cc(-c3ccccc3)c(OC)c2O)cc(CC=C(C)C)c1O 1857595679 CIVOMJGWQZOGDF-UHFFFAOYSA-N 420.505 5.966 0 1 HKAF COc1ccc(Nc2nccc(-c3sc(SC(C)C)nc3C)n2)c(OC)c1 1857749493 PHOISXSCHQXZCS-UHFFFAOYSA-N 402.545 5.170 0 1 HKAF Clc1ccc(SCc2nc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)cc1 1857767669 PABPBCLMVFAQOI-UHFFFAOYSA-N 407.926 5.996 0 1 HKAF CC(C)[C@H](NC(=O)OCc1ccccc1)[P@](=O)(Oc1ccccc1)c1ccccc1 1911576243 FFVKAAHBWCXWEV-WVXBCFDCSA-N 423.449 5.578 0 1 HKAF CC(C)C[C@H](C)[C@H](C)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356497282 JQULJCPOAMRTHP-HBJJXLPESA-N 414.718 7.881 0 1 HKAF COC(=O)[C@@H](CC=C(C)CCC=C(C)CCC=C(C)C)C(=O)c1ccc(O)cc1O 2356683739 CSTWZZSTTQKZMS-QFIPXVFZSA-N 414.542 5.879 0 1 HKAF C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C(F)(F)F)cc1 13490203 GVRNIALCVZTZQV-IERDGZPVSA-N 410.439 6.298 0 1 HKAF Cc1cc(C)c2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3C)c2c1 13737647 UESRUJSKPQNTAE-UHFFFAOYSA-N 417.459 6.749 0 1 HKAF CC(=O)c1ccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)c(C)c1 13740850 VHLOULCGYCOACM-UHFFFAOYSA-N 410.489 5.126 0 1 HKAF CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1cc3c(cc1O)OC(C)(C)C=C3)CC2=O 15205951 WUIDVBXGRNCTFU-QFIPXVFZSA-N 422.477 5.203 0 1 HKAF biogenic CCO[P@@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCCCC1 26283894 GDZZSAWYMMNRAN-SANMLTNESA-N 400.484 6.179 0 1 HKAF CN(C)C(=O)Oc1ccc2c(-c3ccc(F)cc3)c(Cc3ccccc3)c(=O)oc2c1 26481837 CTOZDIZACYNJNP-UHFFFAOYSA-N 417.436 5.250 0 1 HKAF CC[C@H]1C(=O)c2c([nH]c3ccc(Cl)cc3c2=O)C[C@H]1c1ccc(C(F)(F)F)cc1 27099428 GEAHHPAGJYGKOM-CABCVRRESA-N 419.830 5.749 0 1 HKAF CCCN(CCC)c1cc(C(F)(F)F)nc2c(-c3ccc(Cl)cc3)c(C)nn12 27193506 FXBCOLKBQNSGDA-UHFFFAOYSA-N 410.871 6.003 0 1 HKAF C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 27209723 GIQHGRUKLUVHHK-PDROYLOHSA-N 415.581 5.201 0 1 HKAF O=c1[nH]c(SCCCCCCCCc2ccccc2)ncc1Cc1ccccc1 27313847 VACVQPOXBRSWKN-UHFFFAOYSA-N 406.595 6.036 0 1 HKAF COc1ccc(Cc2ccc(O[C@@](C)(Cc3ccc(Cl)cc3)C(=O)O)cc2)cc1 27552671 XUMSYZMCAPJRIH-DEOSSOPVSA-N 410.897 5.404 0 1 HKAF CCC[C@H](CC(=O)O)n1ccc2cc(CCCc3ccc4c(n3)NCCC4)ccc21 28473183 VSFAIECXEAWEDM-JOCHJYFZSA-N 405.542 5.386 0 1 HKAF CC[C@H](C)Nc1ncc(C(=O)N(CC)Cc2cccc(C)c2)c(-c2ccccc2F)n1 82152027 GQUOJNOMUMAZKE-SFHVURJKSA-N 420.532 5.464 0 1 HKAF Cc1nc(-c2cnc(NCc3ccccc3F)nc2-c2ccc(F)cc2)sc1C 82164910 OSDSQHBDCRZZQI-UHFFFAOYSA-N 408.477 5.774 0 1 HKAF c1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)cc1 82166161 IDKULFTZVNVCMA-UHFFFAOYSA-N 410.502 6.139 0 1 HKAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(C)C=C(C(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C 95565515 FMDXTNQGJGDFAM-ZRWDRTFESA-N 415.618 5.571 0 1 HKAF O=C(c1cnccc1Oc1cccc(Cl)c1)N1CCN(C2CC2)c2ccccc21 95577603 UMJJEAJBZJJYQD-UHFFFAOYSA-N 405.885 5.157 0 1 HKAF CC[C@H](C)C(=O)C[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 100638907 VFGNLHHTEBTKIV-PCCBWWKXSA-N 413.602 5.797 0 1 HKAF CC[C@@H](Nc1ccc(C)c(CN2CC[C@@H](C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 118385712 XAOUTVUTAJAOPM-XMSQKQJNSA-N 400.950 5.427 0 1 HKAF Cc1cccc(Nc2nc(-c3ccc(-c4ccc(OC(C)C)nc4)cc3)cs2)n1 145285018 CMLWUTKVQAKKQR-UHFFFAOYSA-N 402.523 6.106 0 1 HKAF O=C(c1cccc(C(F)(F)F)c1)c1ccc(Nc2n[nH]c3cccnc23)cc1Cl 167038966 VFWHRLINFIBILX-UHFFFAOYSA-N 416.790 5.605 0 1 HKAF CCc1nn(Cc2ccc(/C=C/c3ccc(Cl)cc3)cc2)c(CC)c1CC(=O)O 168947390 UXJUABYNEVYQQF-AATRIKPKSA-N 408.929 5.507 0 1 HKAF C=CCn1c(-c2ccc(Br)cc2)cs/c1=N\N=C/C=C/c1ccco1 169331918 HCEZKEWULVXXEA-DTJDJAJVSA-N 414.328 5.358 0 1 HKAF O=C(O)COc1cc2c(c(Cl)c1Cl)C(=O)[C@@H](C1CCCC1)[C@H]2c1ccccc1 169343402 ZUVBTDVFDCCLAE-ROUUACIJSA-N 419.304 5.591 0 1 HKAF C[C@H]1[C@@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 255277759 WQLVFSAGQJTQCK-VETKRUEYSA-N 414.630 5.714 0 1 HKAF FC(F)(F)c1ccccc1-c1nc2ccc(Nc3ncnc4ccccc34)cc2[nH]1 299828980 KHWBMNNAVLYDPM-UHFFFAOYSA-N 405.383 5.936 0 1 HKAF O=c1c2ccccc2nc(-c2ccccc2/C=C/c2ccccc2)n1-c1ccccc1 299857955 FWHVPNDOMQBZIR-FMQUCBEESA-N 400.481 6.223 0 1 HKAF Cc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2C)o1 299882656 QCNGKIHVIWXGMX-JYWFKMLOSA-N 402.542 5.898 0 1 HKAF Cc1ccc2ccccc2c1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 586884852 ZWGWXTLHLAUWNB-UHFFFAOYSA-N 409.327 6.489 0 1 HKAF C[C@H]1CN(Cc2ccccc2)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586987536 CKFFNUZNNRHXKE-INIZCTEOSA-N 406.485 5.271 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(F)cc4N4CCCC4)nc13)-c1ccccc1C2=O 586997455 XWIFQDUXQUCQJA-UHFFFAOYSA-N 408.476 6.161 0 1 HKAF COC(=O)c1cc2nc(-c3sc(C4CC4)nc3C)[nH]c2c(F)c1Nc1ccccc1 587012718 SOWJNABYCCGHNK-UHFFFAOYSA-N 422.485 5.542 0 1 HKAF Fc1cc2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2cc1Br 587052182 YAIFVDQZWYBCGH-SFYZADRCSA-N 400.078 6.042 0 1 HKAF Cc1onc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)c1COc1ccccc1Cl 587063145 FSEALIWEAZNKNS-UHFFFAOYSA-N 423.778 5.657 0 1 HKAF CC(C)(C)c1ccc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2n1 587069848 FQQZVMICWDUQMD-ZKTASGEXSA-N 414.380 6.928 0 1 HKAF Cc1c(-c2cc(F)cc(Br)c2)nc2cccc3c2c1-c1ccccc1C3=O 587104385 SRNXDKWKCQZFKT-UHFFFAOYSA-N 418.265 6.323 0 1 HKAF CN(C)c1ccc([C@H]2CC(=O)Cc3nc4cccc5c4c(c32)-c2ccccc2C5=O)cc1 587105006 ZAWGMHYWTNQBGM-JOCHJYFZSA-N 418.496 5.159 0 1 HKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(F)cc(Br)c2[nH]1 587111980 CJIPACJUZQSEDX-VIFPVBQESA-N 401.201 5.830 0 1 HKAF CCOc1cc(/C=C/c2nc3cccc(OC(F)(F)F)c3[nH]2)ccc1OC(F)F 587129764 FYXFENASHINVON-VQHVLOKHSA-N 414.330 5.632 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2c1 587144752 DFYJCBOGGHKMOZ-UHFFFAOYSA-N 410.423 6.406 0 1 HKAF CC(C)Oc1cc2nc([C@@H](C)c3ccc(N(C)C)cc3)[nH]c2cc1Br 587197868 WMGMSXAFRGHQEV-ZDUSSCGKSA-N 402.336 5.330 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCc3ncc(Cl)cc32)[C@H]1c1ccc(F)cc1 587330576 NVHSCRAAELWKFA-GMAHTHKFSA-N 409.844 5.170 0 1 HKAF COc1cccc(-c2cc(-c3ccccc3-n3ccnn3)nc3c2oc2ccccc23)c1 587362544 GWCJTONPJXHSAT-UHFFFAOYSA-N 418.456 5.904 0 1 HKAF CC(C)(C)[C@]1(c2ccsc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587371787 DEUFABKYHXBKES-AUSIDOKSSA-N 411.498 5.476 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cccc(Cl)c2C(=O)c2cccc(Cl)c21 587378398 BYBXEVJVCFHUMN-HSZRJFAPSA-N 424.283 5.337 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2c(C)coc2-c2ccc3c(C)cccc3c21 587411884 LJBCJGFBJGKCQU-MHZLTWQESA-N 423.468 5.664 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc4c(Br)cccc4s1)[C@@H](C2)C3=O 587453102 PNSKUIGVOKFKCD-HXPMCKFVSA-N 401.281 5.161 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccc(C)cc1)(c1ccc(Cl)cc1)CC2=O 587459461 DOPXRJWTLHJUFM-AREMUKBSSA-N 420.936 6.410 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cc(Cl)c1OC(F)F)CC2=O 587464979 DGDXXRGAVZVBMT-MRXNPFEDSA-N 417.235 5.959 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(N(C)C)cc1)CC2=O 587469947 QRECABZHLRBBRD-SANMLTNESA-N 401.506 5.320 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC)(C1CCN(C(=O)OC(C)(C)C)CC1)CC2=O 587476567 VOOGCBCEKRFSPN-XMMPIXPASA-N 417.546 5.106 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(C3CCCCC3)cc1)(C(C)C)CC2=O 587490660 SXTZQHVASVOTNA-MHZLTWQESA-N 406.566 6.909 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cnc(OCc3ccccc3)c(C)c1)CC2=O 587490817 ZNMXPZSFQGTXQN-QHCPKHFHSA-N 403.478 5.334 0 1 HKAF CCOC(=O)C[C@@]1(c2ccc(F)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587501066 AIPABAZSEDRAGH-HSZRJFAPSA-N 416.876 5.172 0 1 HKAF Cc1c(Br)cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542061 WKGDVPKTLNURTA-NQIIRXRSSA-N 411.251 5.166 0 1 HKAF Cc1ccc([C@]2(Cc3ccccn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587585676 FUOFHMRYUPUGKB-IGKIAQTJSA-N 423.468 5.195 0 1 HKAF Cc1cc(C)c2[nH]c3c(c2c1)CC[C@@]31Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591846 XEDZHGGVYIYTKW-LVXARBLLSA-N 411.457 5.294 0 1 HKAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC(C)C 587596703 RAZMCASYZKGQRJ-RCZVLFRGSA-N 420.461 5.139 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cccc2N2CCCC2)N1 587695806 SDSXGISFRPQENX-YUNKPMOVSA-N 423.757 5.465 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(N)cc3)o2)N1 587748433 XCWQKBYRXFDRPM-GIPWTMENSA-N 401.279 5.054 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2c1 587949454 HCFDOGQDGIJAQS-KHPPLWFESA-N 414.814 7.198 0 1 HKAF COC(=O)c1cc2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2cc1OC 587950008 OJYAJKPUVSECJG-OUKQBFOZSA-N 400.434 5.321 0 1 HKAF Clc1ccccc1C[C@@]1([C@H]2CCCS2)NCCc2cc(-c3ccccc3)ccc21 962669038 RPDHYLJCVFRDMD-CLJLJLNGSA-N 420.021 6.486 0 1 HKAF Cc1ccc([C@]2(C3CCCC3)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1C 962976713 NZPPCIYXAIFOAD-XXBNENTESA-N 419.899 5.268 0 1 HKAF CCOc1cc(Br)c([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1OC 963101258 JSOSXEOMVJYODR-BTYIYWSLSA-N 420.322 5.105 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1ccc(C(F)(F)F)cc1)c1cnccc1C 963242426 PWGNICSCBJYYOZ-DFBJGRDBSA-N 424.510 6.357 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2C1=Cc2cc(Cl)cc(Cl)c2OC1 963635682 NQQSTVMQVOHROW-YBTHPKLGSA-N 406.309 5.062 0 1 HKAF C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 1857622330 WQLVFSAGQJTQCK-FISJMHSUSA-N 414.630 5.714 0 1 HKAF CCCOc1ccc(-c2cc(OCCN(CC)CC)c3cc(OC)ccc3n2)cc1 1857749629 INFDRNPSISUGST-UHFFFAOYSA-N 408.542 5.420 0 1 HKAF CO[C@@H]1C=C(O)[C@@H]2[C@@]34CC[C@@H]5[C@H](CCC(C)C)CCC[C@@H]5[C@@]3(C)[C@@](C)(CC4)[C@]21O 2356354522 LLAHCSQLIBTNQL-VKCYWZFSSA-N 402.619 5.873 0 1 HKAF CC[C@@H](C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356759267 XWDAKKDQJHVMKG-DZRZADDHSA-N 410.686 8.009 0 1 HKAF CC1(C)CCC[C@@]2(C)[C@@H]3CCC4=CN(CCS(=O)(=O)O)CC=C4[C@]3(C)CC[C@H]12 2356829591 JABAEWPMUOEDCX-YXPKMTABSA-N 407.620 5.043 0 1 HKAF c1ccc(CCCN2CCC(CCO[C@@H](c3ccccc3)c3cccs3)CC2)cc1 13778629 UKJZZVOPNOUYAP-MHZLTWQESA-N 419.634 6.589 0 1 HKAF CCCC[C@@H]1N=C(O)C2(CCCC2)N1Cc1ccc(-c2ccccc2C(=O)O)cc1 13833600 ILERVMNMFVURPH-JOCHJYFZSA-N 406.526 5.653 0 1 HKAF O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCCN(Cc2ccccc2Cl)C1 20355784 FEPWWIUXHLFVFP-UHFFFAOYSA-N 424.953 5.267 0 1 HKAF CCCCCCN(C=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 36189711 GMEAODWEIDSCAS-IESAMAKHSA-N 416.650 5.257 0 1 HKAF O=C1NCc2c(-c3ccccc3)cc3[nH]c4ccc(/C=C/c5ccccc5)cc4c3c21 40504503 JPJJGRBAFIJTQI-VAWYXSNFSA-N 400.481 6.402 0 1 HKAF CSC1=NC(C)(C)C[C@@]2(C[C@@H](c3cccc(C)c3)c3cc(Cl)c(O)cc3O2)N1 45227019 UQTFFSLIGIXBRT-AOMKIAJQSA-N 416.974 5.456 0 1 HKAF Cc1ccc(NC(=O)c2ccc(CN3CCCN(CC4CCCCC4)CC3)cc2)cc1 45301854 NNKKGGXCDUUTDK-UHFFFAOYSA-N 419.613 5.335 0 1 HKAF Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@@H](c1ccccc1F)C1CC1 64453661 GVNVVOHCMAIJHI-XMMPIXPASA-N 411.480 5.504 0 1 HKAF Clc1ccc([C@H](NC2CCN(c3ccc(Cl)cn3)CC2)c2cccnc2)cc1 72102241 WPRYJPOKESMACK-QFIPXVFZSA-N 413.352 5.131 0 1 HKAF c1cnc2c(Oc3cncc(NC4CCCCCCCCCCC4)n3)cccc2c1 82068921 PBOCCTQCTQAKNY-UHFFFAOYSA-N 404.558 6.902 0 1 HKAF c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCSCC4)N3)n2)cc1 84688199 LRRPBUZCJGWMNN-FYYLOGMGSA-N 414.578 5.629 0 1 HKAF O=C1C[C@H](c2nc(-c3cccc(Cl)c3)no2)CN1c1ccc(Cl)c(Cl)c1 84712880 YRTXJHRXGRMPOL-NSHDSACASA-N 408.672 5.217 0 1 HKAF COc1ccc(N2O[C@@H](c3ccccc3)C[C@@H]2c2ccc(-c3ccccc3)cc2)cc1 95554150 HVZZEQYZTIMZPM-VSGBNLITSA-N 407.513 6.987 0 1 HKAF Cc1cccn2c([C@H]3C=C(c4ccccc4)NC(=S)N3)c(-c3ccc(F)cc3)nc12 95588822 GLTOPGQZOWPMAM-HXUWFJFHSA-N 414.509 5.009 0 1 HKAF O=C1OC(c2ccccc2)(c2ccccc2)CC(O)=C1SCCc1ccccc1 100364041 VUAHMYDBJUZKRX-UHFFFAOYSA-N 402.515 5.623 0 1 HKAF O=C(O)CCC/C=C/C[C@H]1[C@H](COCc2ccccc2)[C@H]2C[C@@]1(c1ccccc1)CO2 100756888 ZREITZXFTXLALN-LGLWHZHESA-N 420.549 5.377 0 1 HKAF CC(=O)Oc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccc4ccccc4c32)cc1 103866448 VSPXJDUHYNDPOQ-XMMPIXPASA-N 411.501 6.615 0 1 HKAF CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(N(C)C)cc2)C2=C(O)CC(C)(C)CC2=N1 103993210 TTWLVZBXTKIHHU-HSZRJFAPSA-N 422.569 5.683 0 1 HKAF O=C(Nc1nc(-c2ccc(O)cc2)c(Cc2ccccc2)s1)c1ccc(Cl)cc1 115805449 UATJOSKLJOCWSK-UHFFFAOYSA-N 420.921 6.012 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@H]1c1ccc(C2CCCCC2)cc1 169728417 KVLRGEGJGCSVSZ-BJKOFHAPSA-N 407.554 5.725 0 1 HKAF CCCCCc1cc(=O)oc2c(C(=O)[C@H](C)CC)c(O)c(CC=C(C)C)c(O)c12 205003718 HHPBGHOULCFTMR-OAHLLOKOSA-N 400.515 5.674 0 1 HKAF CC(=O)OCc1cc(O)c2c(c1)[C@H]([C@@H](C)CCC=C(C)C)[C@H](OC(C)=O)C[C@H]2C 210342596 PKMNHSSVMBTKOL-WHKFILBUSA-N 402.531 5.360 0 1 HKAF C/C=C(/CC[C@@H](C)[C@@H]1C=CC2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 255259855 PSJWKKYLLIKCCF-UZYKWHBZSA-N 410.686 7.865 0 1 HKAF Cc1cnc(-c2ccccc2C(C)C)nc1NC(C)(C)c1ccc(-n2ccnn2)cc1 299822477 OALUVRRCKYSYHZ-UHFFFAOYSA-N 412.541 5.503 0 1 HKAF CN1CCc2ccc(-c3cnc4[nH]cc(C(=O)c5ccccc5Cl)c4c3)cc2C1 473086072 GTSQIGNGTWZBMV-UHFFFAOYSA-N 401.897 5.102 0 1 HKAF CC(C)c1cc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(O)c(C(C)C)c1 586896626 OYHXDRJWYIKJNI-UHFFFAOYSA-N 417.303 5.643 0 1 HKAF Cc1c(Br)ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c12 586914757 BHTBSFJGDZNBKY-UHFFFAOYSA-N 423.266 5.402 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2cnc(Cl)[nH]c-2n1 586981240 GGOWJTWBXBORAI-UHFFFAOYSA-N 409.715 5.347 0 1 HKAF Cc1c(-c2cccc(C(F)(F)F)c2F)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586986818 OUFGSWVCEXUNRX-UHFFFAOYSA-N 423.365 6.285 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1c([nH]c3ccc(F)cc13)CC4)-c1ccccc1C2=O 586994696 CKLSXRWIQZGJSD-UHFFFAOYSA-N 404.444 6.141 0 1 HKAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(Cl)cnc2[nH]1 587018487 DHXVOLORLICWBQ-UHFFFAOYSA-N 423.756 6.368 0 1 HKAF COc1cc2nc(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2cc1F 587046526 IIDJABFPZNKZGN-AATRIKPKSA-N 404.869 5.578 0 1 HKAF COC(=O)c1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2cn1 587060984 XYPILXFEFYSCSZ-UHFFFAOYSA-N 414.852 5.280 0 1 HKAF CC(C)(C)c1ccc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 587070863 IGAVUJFFRXCZGO-VLIBJNPZSA-N 413.392 7.533 0 1 HKAF FC(F)(F)Oc1cccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 587072630 ZWPDSLZSXLASIU-UHFFFAOYSA-N 424.209 6.497 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(C5CCCCC5)cc4)nc13)-c1ccccc1C2=O 587099651 QPDZQYPGQIGZDN-UHFFFAOYSA-N 403.525 7.469 0 1 HKAF CN(Cc1ccccc1)[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587104946 XNWOGHUOKNCAOD-IBGZPJMESA-N 404.513 5.436 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)c1 587158854 REIYGHODHPRDKP-UHFFFAOYSA-N 401.268 6.275 0 1 HKAF CC1(C)Cc2ccc(Cl)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587327628 HGDKDLONWVAGGT-RCZVLFRGSA-N 422.883 6.021 0 1 HKAF O=C(O)CCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348057 CDHAQMBOUAKFGN-ILBGXUMGSA-N 420.436 5.041 0 1 HKAF CC[C@]1(C(C)(C)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348870 AYMLONCXWNGTCR-OZXSUGGESA-N 404.481 6.017 0 1 HKAF COc1ccccc1C[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353476 QNKYJKOURNEAEX-AZGAKELHSA-N 420.480 5.536 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Oc4ccc(F)cc4F)cc1)[C@@H](C2)C3=O 587425939 IMSOFJYRGPVZAY-MHECFPHRSA-N 408.400 5.429 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1csc4c(Br)cccc14)[C@@H](C2)C3=O 587454521 XYOQVRHZFUEGJA-KPZWWZAWSA-N 401.281 5.161 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccccc3)n(C)c3ccccc13)CC2=O 587471761 UJJZNOMZNDREDQ-DEOSSOPVSA-N 411.501 6.210 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OC)cc1-c1ccccc1)CC2=O 587481077 PIZIAEOFSNIXQK-QHCPKHFHSA-N 418.489 5.735 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1nc(-c3cc(C)c(C)cc3C)cs1)CC2=O 587493345 FDTFJLJBICBMCC-JOCHJYFZSA-N 407.535 6.100 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC3=NC[C@H](CC)S3)cc1)CC2=O 587498229 ZLQSPKCMNKVKIX-XDHUDOTRSA-N 424.566 5.519 0 1 HKAF O=C1C[C@@H](c2cccn2-c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587506246 JEQAZAGKAFXDQS-QFIPXVFZSA-N 411.423 6.081 0 1 HKAF CN(C)/C=C/[C@]1(C23CC4CC(CC(C4)C2)C3)CC(=O)c2ccc3c(c2O1)CCCC3 587508664 AZTOGGTUXPVTLZ-RBTMHKHVSA-N 405.582 5.561 0 1 HKAF CCOC(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522087 FYBPAQLCRYYGPJ-CGHRXAFASA-N 418.533 5.416 0 1 HKAF Nc1ccccc1[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587579766 PFTUJTLLKFLRKL-SHQCIBLASA-N 423.468 5.074 0 1 HKAF O=C(c1ccc(OC(F)F)cc1)c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587630187 VBQPRAHHYLANMJ-UHFFFAOYSA-N 407.697 5.812 0 1 HKAF O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657599 YNDCRMAYQJKSIO-LEWJYISDSA-N 418.855 5.300 0 1 HKAF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C(F)(F)F)c1 587710090 FHGGUFJADKZMRT-XYZCENFISA-N 418.228 5.239 0 1 HKAF Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1C 587756489 RQVIBASZEJVCAR-LAJNKCICSA-N 401.323 5.186 0 1 HKAF FC(F)(F)c1c(Br)ccc2nc(COC/C=C\c3ccccc3)[nH]c12 587780914 LULNOXKAGTWHHC-DAXSKMNVSA-N 411.221 5.574 0 1 HKAF CC[C@]1(c2ccc([C@@H](C)OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587795655 SAHRMLSGYIQKGD-ZMOMAAQPSA-N 406.339 5.483 0 1 HKAF CC(C)c1ccc2c(c1)[C@]1(CCCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587834874 NAZFLIMCCVARCS-FPTDNZKUSA-N 418.350 5.662 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3cccs3)n2)N1 587853752 RKDPZYBSULFWLY-ABKXIKBNSA-N 409.349 5.397 0 1 HKAF CCOc1ccccc1C(=O)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC 587864590 MLFOVZOMKLGKPQ-UHFFFAOYSA-N 404.388 5.055 0 1 HKAF CC[C@@]1(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)CC(=O)c2ccccc2C1 587961184 QIQLHRBJNGEUIX-FQEVSTJZSA-N 404.457 5.943 0 1 HKAF Fc1cc(CC[C@]2(C3CC3)NCCc3cccc(-c4ccccc4)c32)cc(F)c1F 962663944 HLAMYUZWBIHBET-AREMUKBSSA-N 407.479 6.155 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@H]1NCCc2cc(-c3ccccc3)ccc21 962672882 UFBPRAUWLMXHGW-VXNXHJTFSA-N 406.570 5.624 0 1 HKAF Clc1ccc(CO[C@H](c2cccs2)c2cc3ccccc3nc2Cl)cc1 1857569230 ZOGXKBMPGKLMPO-FQEVSTJZSA-N 400.330 6.909 0 1 HKAF Oc1ccccc1-c1cc(-c2cccc(C(F)(F)F)c2)nc2c1Cc1cccc(O)c1-2 1857604572 CNKFDDGHLLGHNA-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C[C@@H]1CC3 2356328631 CYEADWAQMXQSDD-ZIBILENJSA-N 400.691 7.923 0 1 HKAF CC(=O)OCc1cc(O)c2c(c1)[C@H]([C@H](C)CCC=C(C)C)[C@@H](OC(C)=O)C[C@H]2C 2356418617 PKMNHSSVMBTKOL-DCVVDMCRSA-N 402.531 5.360 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCCC(=CC[C@H](O)C1=CC(=O)OC1)CO 2356512158 VILQISSGAQMQCL-DEOSSOPVSA-N 402.575 5.339 0 1 HKAF C[C@@]1(c2nnc(-c3cccc(Cl)c3)o2)CC(c2c(Cl)cccc2Cl)=NO1 12477183 GURMMJJMXWHBRV-SFHVURJKSA-N 408.672 5.737 0 3 HKAF COc1cc2c(-c3cc(F)cc(F)c3)c(-c3ccsc3)oc(=O)c2cc1OC 36388722 BOZJATRTCWOZML-UHFFFAOYSA-N 400.402 5.484 0 3 HKAF CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(C(C)C)cc1 773500 BJTXGVLNWSLQDW-KKSFZXQISA-N 424.516 5.408 0 1 HKAF CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NC2CCCCC2)cc1 774955 IMMDJNNPFKEHET-UHFFFAOYSA-N 408.473 5.609 0 1 HKAF CC(C)CCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(F)cc1Cl 2482134 CTFMBJKINCPBEB-UHFFFAOYSA-N 421.299 6.230 0 1 HKAF CC(C)(C)c1noc(-c2ccc(-c3ccccc3)cc2)c1C(=O)NCc1ccccc1 2483688 KODUUBFFNSUTMW-UHFFFAOYSA-N 410.517 6.236 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4Nc5nocc5C[C@]4(C)[C@@H]3CC[C@]12C 5883731 CDSNJPKIZZSWGQ-YPAMPYDJSA-N 412.662 7.332 0 1 HKAF CC(C)CCC(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12 13489794 RZELQLWNPGHRCA-UHFFFAOYSA-N 407.354 5.527 0 1 HKAF CC(C)c1cc(-c2ccccc2)nnc1NCCC1CCN(Cc2ccccc2)CC1 13863620 VPUCFTPWWMDXSU-UHFFFAOYSA-N 414.597 5.981 0 1 HKAF O=C(c1ccccc1)[C@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)c1ccccc1 25990423 XZLQCWJPAKCNQB-HXUWFJFHSA-N 416.360 5.123 0 1 HKAF CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2[C@H](c2ccccc2Cl)C1 28893055 FLLOSWVXSHXQDY-HSZRJFAPSA-N 416.968 5.120 0 1 HKAF Cc1ccccc1N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O 34804613 PDUFNCGWCMHSHF-UHFFFAOYSA-N 412.320 5.291 0 1 HKAF O=C1Nc2ccc(Cl)cc2[C@](CC(F)F)(c2ccc(F)cc2)N1CC(F)(F)F 36488250 XDPBOZCUKCGLSA-KRWDZBQOSA-N 422.756 5.788 0 1 HKAF CN(C)CCc1cccc2[nH]c(-c3nc(CCCc4ccc(Cl)cc4)no3)cc12 40763014 GDPOHYFPYARYBW-UHFFFAOYSA-N 408.933 5.151 0 1 HKAF Clc1ccc(-c2ccc(Oc3cncc4sc(-c5nnn[nH]5)cc34)cc2)cc1 40975461 RJGMFPXKLFJNMT-UHFFFAOYSA-N 405.870 5.589 0 1 HKAF C[C@H](Cc1ccc(Oc2ccc(Cl)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1 45168256 JCGKIQWEEKFZIX-MWTRTKDXSA-N 416.348 6.040 0 1 HKAF CCCOc1ccc(Oc2ccc(-c3ccc([C@H](C)NC(=O)C4CC4)cc3)cc2)cc1 45320477 AYGWGWNIOWPSLC-IBGZPJMESA-N 415.533 6.522 0 1 HKAF CCCN(CCC)CCCCCCCCCCOc1ccc(CN(CC)CC)cc1 49035698 FRNZJQLGEIVHOA-UHFFFAOYSA-N 418.710 7.150 0 1 HKAF COc1ccccc1[C@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccccc1 49808532 JYQFJBJVYZDINM-FUPPJEDESA-N 406.482 5.540 0 1 HKAF Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCC[C@@H]3CC(=O)O)c1 59570153 QONYCNAVUDCWLL-JOCHJYFZSA-N 400.518 6.444 0 1 HKAF COc1ccc(CN2CCC(=O)[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc1 72106241 XCGYLXRRLOUNQC-XMMPIXPASA-N 421.487 5.197 0 1 HKAF CC(C)(C[C@@](O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cc(F)cc2c1OCC2 73129433 UUIWYLMDKKQBJQ-QFIPXVFZSA-N 421.434 5.446 0 1 HKAF COc1cccc(CNc2nc(NCCC(C)(C)C)c3cc(OC)c(OC)cc3n2)c1 82129271 TXAFDMNGRPTHJT-UHFFFAOYSA-N 424.545 5.116 0 1 HKAF Cc1ccccc1-c1nc(N2CCC(C)CC2)ncc1-c1nc(-c2ccccc2)c(C)o1 82177499 FMLHSQIKQWCDDS-UHFFFAOYSA-N 424.548 6.319 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccc(C)o2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188407 FTBXBPPORTZQCZ-IAGOWNOFSA-N 403.530 5.656 0 1 HKAF CCOP(=O)(OCC)[C@H](Cc1ccc(F)c(F)c1)c1sc2ccccc2c1C 84619592 QVXXUZFSNZSAAQ-LJQANCHMSA-N 424.449 7.038 0 1 HKAF CCOc1cc(Cl)c(-c2ccnc3c2nc(C)c(=O)n3[C@@H](CC)C2CC2)cc1C 84709535 DSFJJLJFMCMDCW-IBGZPJMESA-N 411.933 5.489 0 1 HKAF Nc1n[nH]c2c1[C@@H](c1c(-c3ccccc3)[nH]c3ccccc13)C=C(c1ccccc1)O2 95601140 MMPSUIFZQFTEFL-LJQANCHMSA-N 404.473 5.706 0 1 HKAF CC(C)=CCC[C@]1(C)CC[C@]2(C)C(=CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@H]4CC[C@]32C)C1 95909705 CRANCNKSDHVJBF-HGLHVUDESA-N 410.730 9.508 0 1 HKAF biogenic,in-vitro Cc1cccc(CSc2nc3n(n2)[C@@H](c2cccs2)C2=C(O)CCCC2=N3)c1 103532235 YPJNOIDXKGKFBR-IBGZPJMESA-N 408.552 5.612 0 1 HKAF O=C(Nc1ccc(F)cc1)c1ccc(SCc2ccccc2-c2cccs2)nc1 145223323 GULCWQZYOKXPPZ-UHFFFAOYSA-N 420.534 6.494 0 1 HKAF CCC(=O)C(CCCCCCc1ccc(OC(=O)c2cccc(C)c2)cc1)C(=O)CC 169342189 PDUQNSIFYRZQBR-UHFFFAOYSA-N 422.565 6.282 0 1 HKAF Nc1n[nH]c2cccc(-c3ccc4c(C(=O)Nc5ccc(F)cc5F)cccc4c3)c12 169350185 FIYBQKQWLORIEQ-UHFFFAOYSA-N 414.415 5.496 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@@H]1c1ccc(-c2ccccc2)c(F)c1 169728396 JDBBGSVRIRQZTP-RPWUZVMVSA-N 419.496 5.483 0 1 HKAF CC1=C(O)[C@@H](C[C@@H](C)/C=C/C=C(\C)CCC[C@@H](C)CCCc2ccoc2)OC1=O 199293394 JIGKBJFCEWMJSB-AJDPFTLFSA-N 400.559 6.695 0 1 HKAF CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)Cc2cccc(F)c2)CC1 204200169 MQZAYKANCNYPNQ-UHFFFAOYSA-N 416.584 6.184 0 1 HKAF Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)n1CCCO 205356227 URPXIKPBWCUEEP-UHFFFAOYSA-N 402.416 5.117 0 1 HKAF Cc1cc(-c2cccc(F)c2)cc(CNc2c(C)ccc(OCC(=O)O)c2C)c1C 218873158 JDRDZBXKNDKRIF-UHFFFAOYSA-N 407.485 5.802 0 1 HKAF CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]43C)[C@@]2(C)CC1 255199973 BJFPMDGPOFJGIR-BUOVYTDBSA-N 410.730 9.198 0 1 HKAF Nc1nccn2c1c(-c1ccc(Oc3ccccc3)cc1)nc2[C@H]1CC[C@H](CO)CC1 261091650 DOVYFRQPSXRSDP-UAPYVXQJSA-N 414.509 5.037 0 1 HKAF CC1(C)COc2c(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)cccc21 586912064 PNZVYWAYSJJAPQ-UHFFFAOYSA-N 411.221 5.681 0 1 HKAF Clc1cc(Cl)c(Br)c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1 586976049 SMADCPFKMVTCKN-UHFFFAOYSA-N 410.913 6.606 0 1 HKAF Cc1ccc2c(ccc3nc([C@H](c4ccc(Br)cc4)N4CCCC4)[nH]c32)n1 586983665 AWLJDRCLUCXNAG-NRFANRHFSA-N 421.342 5.367 0 1 HKAF CC(C)(Oc1ccc(Br)cc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586996394 OXXOHKNKRNXKFS-UHFFFAOYSA-N 417.200 5.797 0 1 HKAF Fc1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1F 587000857 SQAJKKWIEFFOCF-UHFFFAOYSA-N 415.241 5.278 0 1 HKAF Fc1cc(Br)cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 587081484 AGRBRWVJBDQCSB-UHFFFAOYSA-N 421.657 5.018 0 1 HKAF CCCc1ccc(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 587100445 KLEKFYFDRKHENM-UHFFFAOYSA-N 421.496 6.001 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H](c1ccc(C(F)(F)F)cc1)C3 587104500 XHLVLJUYPWOYSX-HNNXBMFYSA-N 415.414 6.347 0 1 HKAF Cc1cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1Cl 587109853 KRGMPYZFIRCRQX-UHFFFAOYSA-N 406.757 6.348 0 1 HKAF FC(F)(F)c1ccc(Oc2ccc(-c3nc4c(Cl)nc(Cl)cc4[nH]3)cc2)cc1 587112537 AAARKKAYMBQUGC-UHFFFAOYSA-N 424.209 6.743 0 1 HKAF Fc1ccc(Oc2ccc(-c3nc4cccc(F)c4[nH]3)cn2)c(Br)c1 587161198 MXSHCPPCGKTAGH-UHFFFAOYSA-N 402.198 5.458 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2c1 587196430 SPBZZQBUOHDFHO-UHFFFAOYSA-N 415.846 6.442 0 1 HKAF C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@@]21C)CC7 587215639 KVAUOGKPIWJXAL-FIMHWOINSA-N 413.605 6.267 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-c1ccc(C(=O)OC(C)C)cc1)O2 587398102 BMMSJVISDOSJGI-XMMPIXPASA-N 415.489 5.516 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCc1ccc(Cl)cc1)CC2=O 587463243 UHHGKQFWCDSMNN-XMMPIXPASA-N 422.908 6.284 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCc3c(F)cc(Br)cc31)CC2=O 587470242 FSUAFJNTPRZYQT-HXUWFJFHSA-N 405.263 5.053 0 1 HKAF CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587510293 GFXSTDLPMAVEPD-AREMUKBSSA-N 419.521 5.719 0 1 HKAF O=C1C[C@@H](c2nn(Cc3ccccc3)c3ccccc23)Oc2c1ccc1c2CCCC1 587514499 GIWUUURJOGAVMA-VWLOTQADSA-N 408.501 5.670 0 1 HKAF Cc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccccc2Br)cc1 587628077 HHPCYPPTAHDGRE-UHFFFAOYSA-N 414.705 7.365 0 1 HKAF CCOC(=O)c1c(-c2cc(Br)ccc2F)[nH]c2cc(Cl)c(F)cc12 587629453 QPQQMHKHRYODSG-UHFFFAOYSA-N 414.633 5.706 0 1 HKAF COc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2-c2ccc(Cl)cc2)cc1 587649223 MLAHKGKMBSNIRC-UHFFFAOYSA-N 411.910 5.567 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(O)c(Cl)c2)N1 587695305 RGNUBJSHTOFOBF-KWKYVRJSSA-N 405.094 5.224 0 1 HKAF CCCOc1ccc(Cl)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587696082 KTOKDHZGWQVAKE-WYRIXSBYSA-N 412.730 5.654 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(C(F)(F)F)ccc32)N1 587709840 BDZCOFDEHSGKRM-XTZNXHDOSA-N 414.240 5.331 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C(F)(F)F)c1 587713208 SCCKTGZOVYEEFS-QGHHPUGFSA-N 402.229 5.539 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2Br)N1 587717312 FTQCETVNLCQCQC-PWJLMRLQSA-N 417.091 5.113 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2F)N1 587726271 HSUGHJHSTGYBDO-RCDICMHDSA-N 414.293 5.553 0 1 HKAF FC(F)(F)Oc1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587784311 PTDGJXZSNWBKHW-JYRVWZFOSA-N 410.395 6.211 0 1 HKAF CC(C)c1ccc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1 587806193 VMKCYJFIYXPLPB-QKVFXAPYSA-N 401.323 5.817 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)C3CCCC3)cc2)N1 587817641 DCQRBSNQXHWLAN-ZSEKCTLFSA-N 416.334 5.585 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CN3CCCCC3)s2)N1 587848931 QAVBSEPSRRWQDY-RNODOKPDSA-N 423.395 5.259 0 1 HKAF COc1cccc(-c2cc(O)cc(-c3nc4cc(Br)c(C)nc4[nH]3)c2)c1 587933161 LFKRQXHXYSPIPB-UHFFFAOYSA-N 410.271 5.077 0 1 HKAF Brc1cccc2[nH]nc([C@H]3NCCc4cccc(-c5ccccc5)c43)c12 962662884 MNQVEIVEADYZEX-NRFANRHFSA-N 404.311 5.228 0 1 HKAF Cc1ccn2c([C@@H]3NCCc4cc(-c5ccccc5)ccc43)c(-c3ccccc3)nc2c1 962670398 QYUPMJPZQAFNGK-MUUNZHRXSA-N 415.540 6.212 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(C=C(c3cccc(O)c3)Oc3ccccc32)N1 962950390 MUOUYXUUJVRBDC-DNOBIOAJSA-N 408.501 5.475 0 1 HKAF Fc1cccc(CC[C@]2(c3ccccc3Cl)c3c(F)cccc3C[C@H]3CCCN32)c1 963098330 GLWLUBNUZUSMCT-RLWLMLJZSA-N 423.934 6.515 0 1 HKAF CCSc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2c(OC)ccc(OC)c21 963613122 UBSZJUSQJPLBDP-MPBGBICISA-N 422.388 5.202 0 1 HKAF COc1cccc(-c2oc(CCCC(=O)O)nc2-c2ccc(Cl)c(Cl)c2)c1 1857563476 YSOJJQKZXWMDBJ-UHFFFAOYSA-N 406.265 5.731 0 1 HKAF COC(=O)c1ccc(/C=C/C(=O)N(Cc2ccccc2)Cc2cccc(Cl)c2)cc1 1911585932 CBXAJJVAAXCBFA-NTCAYCPXSA-N 419.908 5.369 0 1 HKAF CC(=CCCC1=CC[C@H]([C@H]2COC(=O)C2)OC1=O)CCC1=C(C)CCCC1(C)C 2356518492 RRCWZZNUUYHHOI-IFMALSPDSA-N 400.559 5.825 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]45C[C@H](O)CC[C@]4(C5)C3=CC[C@]12C)C(C)C 2356629792 QECYIHDHCKWWPU-IODSQUAHSA-N 424.713 7.945 0 1 HKAF OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccc(C(F)(F)F)cc2)CC1 13553171 SOTDHBOVUPQBOE-UHFFFAOYSA-N 403.366 5.208 0 1 HKAF CCCOC(=O)c1c(-c2ccccc2)nc(CCF)c(C(=O)SCC)c1CCC 13794217 VHOAZDLHKKVGNA-UHFFFAOYSA-N 417.546 5.673 0 1 HKAF CCC(CC)Nc1nc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1 13794534 CGZMMPDDABBHIX-UHFFFAOYSA-N 420.399 5.824 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)ccc2c1OC[C@@H]1c3cc4c(cc3O[C@@H]21)OCO4 14614044 MNVKKIZBXXYHDP-ZYQRBXJJSA-N 420.505 5.966 0 1 HKAF c1ccc(-c2nc(CCc3cccc(OCC4N=NN=N4)c3)oc2-c2ccccc2)cc1 27098857 VYCUBRYQGTVNHD-UHFFFAOYSA-N 423.476 6.332 0 1 HKAF CSc1ccccc1CSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1 27524603 VXQSZNHFPKRSQI-UHFFFAOYSA-N 407.539 6.292 0 1 HKAF C[C@]1(Cc2ccccc2)Cc2cc(OCCCC(=O)O)c(Cl)c(Cl)c2C1=O 27647101 GCJJNGNRQXEPOF-NRFANRHFSA-N 407.293 5.225 0 1 HKAF CCCc1cc2c(cc1OCc1ccc(C(=O)O)cc1OC)C(=O)c1ccccc1-2 27882636 WGQKUGHPQHAOGM-UHFFFAOYSA-N 402.446 5.136 0 1 HKAF COc1ccc(-c2cc(C(F)(F)F)n(-c3ccnc4cc(Cl)ccc34)n2)cc1 28568013 VLLZOVSTLXFOML-UHFFFAOYSA-N 403.791 5.768 0 1 HKAF C[C@H]1OC(=O)[C@@H]2C[C@@H]3COCC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(Cl)c4)cn3)[C@H]12 28712070 SHGMAHKRDGDQMQ-RRVPNGAVSA-N 423.940 5.266 0 1 HKAF CC(C)(C)Cn1cnc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccc(F)cc3F)nc21 29131519 JGJVCJKVGPBNRU-UHFFFAOYSA-N 423.511 6.110 0 1 HKAF COc1ccc(/C=C2\C(=O)N(C)c3ccc(Cl)cc32)cc1O[C@@H]1C[C@H]2CC[C@@H]1C2 29571920 FFFLXXMNEHFKKE-HVBXOIMYSA-N 409.913 5.433 0 1 HKAF CNCCOc1c(C)cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc1C 36478855 JAVNZMNMLGOMQH-DENIHFKCSA-N 411.611 5.383 0 1 HKAF CC(C)(C)S[C@@H]([C@@H](OCc1ccccc1)c1ccc(Cl)cc1)n1ccnc1 45358708 LINMDIHWXVNQQT-SFTDATJTSA-N 400.975 6.525 0 1 HKAF CN(C)CC[C@]1(c2ccc(Cl)cc2)Cc2cc(-c3ccccc3)ccc2C(=O)O1 53229606 IMYAOTKHJYPCIK-RUZDIDTESA-N 405.925 5.567 0 1 HKAF COC1(c2cccc(CNc3cc(C)ccc3OCc3ccccc3)c2)CCOCC1 66077856 NGGVYDTUHQDIHZ-UHFFFAOYSA-N 417.549 5.838 0 1 HKAF O=C(O)[C@@H]1CCCN(CC/C=C(\c2ccccc2F)c2ccccc2C(F)(F)F)C1 66262989 UECOHEXEZLWHSD-FNTDYBJHSA-N 421.434 5.463 0 1 HKAF NC(=O)n1c2ccccc2c2cc(CN3CCC4(C=Cc5ccccc54)CC3)ccc21 73224936 ZCEIJEMGJDGCGW-UHFFFAOYSA-N 407.517 5.282 0 1 HKAF COc1ccc2cc(CCC(=O)C[C@H](Nc3cc(C)on3)c3ccccc3)ccc2c1 73294098 VKMCAICGBKAMCZ-VWLOTQADSA-N 414.505 5.890 0 1 HKAF CCCCCn1c(-c2ccccc2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181057 PPNWMKJUIQNFKH-UHFFFAOYSA-N 405.933 5.949 0 1 HKAF Cc1cc(NCCCCNc2ccnc3cc(Cl)ccc23)nc(N2CCCCC2)n1 84730302 VSAAMHSEPFFXOA-UHFFFAOYSA-N 424.980 5.281 0 1 HKAF CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CCOC(=O)n1ccnc1)O2 96914552 HLKXQNFTGFCJOU-ZNEWLNCYSA-N 400.563 5.748 0 1 HKAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3ccc(-c4ccccc4)cc3CC[C@H]21 100620824 UQCDAZDJARDVHH-AHKZPQOWSA-N 406.529 5.947 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccccc2)c(Cl)c1)C3 100950988 AQWNEEQYGAZQAV-PUIVIPPZSA-N 421.968 5.684 0 1 HKAF COc1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)cc1O 104003040 JTIQLKQNUPPFNZ-WXTAPIANSA-N 412.489 6.030 0 1 HKAF Cc1cc(-c2ccn[nH]2)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 113655629 FFZHGIBVKMZARL-UHFFFAOYSA-N 419.532 5.705 0 1 HKAF CC(C)CC[C@H](O)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118919742 LMMRHWWBNFVJIU-ILFYRDGGSA-N 404.679 6.584 0 1 HKAF CNCCC/C(=C1\C(=O)N(c2ccc(Cl)cc2)N=C1C)c1ccc(Cl)cc1 141189949 AGZIFZYCKASIQT-FMQUCBEESA-N 402.325 5.169 0 1 HKAF CC(C)C1=C(c2c[nH]c3ccccc23)[C@H]2[C@@H](C)CC[C@]3(C)[C@@H](C)CC[C@@H](O)[C@]23CC1 146402813 LXZADDNPPHIYMD-QVTXGHCESA-N 405.626 7.201 0 1 HKAF CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1nc2ccccc2n1C 169722359 HXFZPJGACGORFL-UXHICEINSA-N 410.308 5.556 0 1 HKAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1nc2ccccc2n1C 169722360 HXFZPJGACGORFL-WOJBJXKFSA-N 410.308 5.556 0 1 HKAF C[C@@H]1CCN(C(=O)[C@@H]2CCCN2Cc2cc(Cl)ccc2Cl)c2ccccc21 205197996 JTUZQIFHAAKUCS-VFNWGFHPSA-N 403.353 5.498 0 1 HKAF CCc1ccc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2Cc2ccc(F)cc2)s1 206876583 ZDWFZJJVNYKMIR-HXUWFJFHSA-N 400.906 5.870 0 1 HKAF c1ccc(CN2[C@H](c3ccccc3)C3=C(NO[C@@H]3c3cccnc3)[C@@H]3CCCC[C@H]32)cc1 254133103 KURMYIOERUOJAA-NFFAYCCRSA-N 423.560 5.728 0 1 HKAF C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 255224287 KWVISVAMQJWJSZ-HTTPVJGZSA-N 413.646 5.287 0 1 HKAF CC(=O)n1c2cccc(Br)c2c2cc(-c3cccc4ccccc34)nnc21 299823313 DZCKATLXGUESIQ-UHFFFAOYSA-N 416.278 5.827 0 1 HKAF O=Cc1cc(Br)cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 586983333 ZBHSTPFNUINPLI-UHFFFAOYSA-N 401.207 5.417 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)cc(F)c3[nH]2)C[C@@H]2CCCC[C@H]21 587028729 ZPVAVQVZOUQKKH-VHSSKADRSA-N 417.937 5.492 0 1 HKAF N[C@@H](N=O)c1ccc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc2c1 587114590 VLFLNXXZXBVLGM-IBGZPJMESA-N 412.371 5.765 0 1 HKAF FC(F)(F)c1cncc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 587115384 MIONZBGYEOXCPG-UHFFFAOYSA-N 410.115 5.425 0 1 HKAF CCCCCOc1cc2nc(-c3cc(F)c(C)c(F)c3)[nH]c2cc1Br 587132633 GKPNJCAMUUMQMU-UHFFFAOYSA-N 409.274 6.148 0 1 HKAF Fc1ccc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)nc1Br 587155718 OYTYXXXAVIYNRU-UHFFFAOYSA-N 400.276 5.678 0 1 HKAF COc1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cc1Cl 587182824 OVWFLKSNBQOPSL-UHFFFAOYSA-N 419.049 5.150 0 1 HKAF CCc1oc2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2c1C(C)=O 587205741 DBVZQXHQFIRFDG-UHFFFAOYSA-N 417.464 6.624 0 1 HKAF CCCC[C@]1(CCCCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354982 SEALCWZVFZUTDG-LADGPHEKSA-N 414.473 5.464 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587421399 KMIGLAMOZKQHLS-WMZHIEFXSA-N 410.391 5.405 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(CCC(F)(F)F)c1F)CC2=O 587459572 DGRBKCMCUZFULX-NRFANRHFSA-N 410.407 5.859 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCCC3)cc1C(F)(F)F)CC2=O 587463046 VHXQWADBZRZPBR-OAQYLSRUSA-N 419.443 5.670 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCC=C(NNc3ccc(Cl)cc3)C1)CC2=O 587463640 WNHGIPKZNGBWDQ-HSZRJFAPSA-N 412.917 5.387 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc(C)c(C)c3)cc1)CC2=O 587480192 NVYDVIWUNKPDNI-RUZDIDTESA-N 402.490 6.460 0 1 HKAF O=C1C[C@@H](c2cccc(OCc3cccc(F)c3)c2)Oc2c1ccc1c2CCCC1 587508063 YEBCMEWAKSXGFC-VWLOTQADSA-N 402.465 5.990 0 1 HKAF COc1ccc(Oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 587521871 CZBQYMBAWDODPR-VWLOTQADSA-N 400.474 6.073 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccccc2Cl)no1 587549295 RMFCMMUQCQCUED-NFBKMPQASA-N 419.820 5.404 0 1 HKAF CC(C)COc1cccc(OCc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 587566041 QXUCMFJUZOVVON-UHFFFAOYSA-N 400.478 5.408 0 1 HKAF COC(=O)CCCCCCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592728 JUXMPEPDOTZNDZ-UGKGYDQZSA-N 412.482 5.016 0 1 HKAF CCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC 587599585 XZLUBTBVVAIJDE-DHLKQENFSA-N 420.461 5.067 0 1 HKAF O=C1CCC(C2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)CC1 587605381 ZFPKEIPSWKFSGR-ONWYWGCKSA-N 406.478 5.042 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(SC2CCCCC2)o1 587611682 HQASVYRTIXGQJH-URXFXBBRSA-N 422.502 6.113 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2nccc(Cl)c2s1 587616544 DNJCDUUHFKBXGV-XLIONFOSSA-N 409.850 5.358 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)c3ccc(C(F)(F)F)cc3)c(C(F)(F)F)[nH]c12 587624464 MWHGECKXQJYTNP-UHFFFAOYSA-N 405.725 6.398 0 1 HKAF O=C(c1ccccc1Br)c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587628254 JVSXIEZUQBORMS-UHFFFAOYSA-N 420.587 5.973 0 1 HKAF O=C(O)c1ccccc1-c1[nH]c2cc(Cl)c(F)cc2c1-c1ccc(Cl)cc1 587629160 WWJSEUISIPNABW-UHFFFAOYSA-N 400.236 6.646 0 1 HKAF CCOC(=O)c1ncn(-c2c(-c3ccc(Cl)cc3)[nH]c3ccc([C@@H](C)CC)cc23)n1 587641595 NENHQXAUASTABX-AWEZNQCLSA-N 422.916 5.759 0 1 HKAF CC(C)C[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587694987 AXHIWEIUMSSBGV-XCLFUZPHSA-N 410.758 6.066 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(C2CCCC2)N1 587704798 VRLQELYMIKGNJN-LRTDBIEQSA-N 422.769 6.210 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)(F)F)cc2F)N1 587710982 IJIMTBWQVZMVRO-BCTVWOGZSA-N 406.192 5.370 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(Cl)c(Cl)c2)N1 587721731 QIMRGVMNFXBKMC-QZTNRIJFSA-N 407.085 5.658 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2cccnc2)N1 587779759 VSUFCEQMJRGEGR-ASSNKEHSSA-N 413.290 5.399 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc2cc[nH]c12 587860259 SFUWWZLZJJZUOW-UHFFFAOYSA-N 400.265 5.425 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2ccc(C(C)C)cc2s1 587863484 AMFWZXCDAHHJEY-UHFFFAOYSA-N 417.456 6.300 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncccc1Br 587864117 LJNDREPQMMCHGG-UHFFFAOYSA-N 412.209 5.114 0 1 HKAF CO[C@H](C)COC1CCC(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CC1 587952991 YSPAQYPLJFYIAN-KLHKWILBSA-N 421.566 5.917 0 1 HKAF Cc1nc(N[C@H]2CC(C)(C)Oc3ccccc32)cc(-c2ccc3ncsc3c2)n1 653663064 RTALZVOFOYCSGX-IBGZPJMESA-N 402.523 5.776 0 1 HKAF Cc1ccc(-c2ccc3ncc4nc(O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cc1 653850112 VCKNCNDPOBGOMI-UHFFFAOYSA-N 419.406 6.274 0 1 HKAF Cc1cc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN32)cc(C)c1OCc1ccccn1 963100051 PYMRQNQHPGDMDN-ILBGXUMGSA-N 402.513 5.526 0 1 HKAF Cc1ccc2cc([C@@H]3c4ccc(F)cc4C[C@H]4CCCN34)c(N3CCCCC3)nc2c1 963106963 OIYSDFDJEMOSHM-GJZUVCINSA-N 415.556 5.783 0 1 HKAF Cc1ccc(SCC[C@]2(c3ccc4c(c3)OCO4)NCCc3ccc(O)cc32)cc1 963344120 YUHCYDCXDYJZIC-RUZDIDTESA-N 419.546 5.001 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4=CC=C(c5cnccc5C)[C@@]4(C)CC[C@@H]32)C1 1772587231 BYBHOWIXUZDBHC-LHYRVYERSA-N 405.582 6.278 0 1 HKAF Cn1cc(C[C@H]2CN3C(=N2)SC(c2ccccc2)=C3c2ccccc2)c2ccccc21 1772649962 IWNAFTRZAZMNHY-QFIPXVFZSA-N 421.569 6.034 0 1 HKAF CC=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356453650 GBBBJSKVBYJMBG-SPTWOZHASA-N 412.702 7.801 0 1 HKAF CCCCC[C@H](CO)c1cc(O)cc(C[C@@H]2CCC[C@H]([C@@]3(C)C=CC[C@@H](C)C3)C2)c1 2356498158 KRNHLAGJQXRKBU-JZXXJYGZSA-N 412.658 7.390 0 1 HKAF CC1=CCC[C@]23C[C@@]24CC[C@]2(C)[C@H]([C@@H](C)C[C@@H](O)CC(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13 2356535776 JLOKHLVFHLMHMQ-QOVUAANLSA-N 412.702 7.779 0 1 HKAF CCCCC=CCCC=CCCCCCCCCCCC(=O)OC[C@H](O)C(=O)O 2356587513 OELDKSOVLPNCTH-QFIPXVFZSA-N 410.595 5.959 0 1 HKAF COC1=CC2=C(C(C)=N[C@H](C)C2)[C@@H](OC)[C@@H]1c1c(C)cc2cccc(OC)c2c1O 2356660085 DKQZXYATHVVDTH-HVVPNVAPSA-N 407.510 5.055 0 1 HKAF CN1[C@H]2CC[C@@H]1C=C(N(CCc1c[nH]c3ccccc13)C(=O)c1ccc(Cl)cc1)C2 848779 HQHQMLBBPGIHNK-RTWAWAEBSA-N 419.956 5.257 0 1 HKAF CC[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2 5132663 AAOMCPIGXHPOEP-GOSISDBHSA-N 402.519 5.155 0 1 HKAF CCOc1cc2ncnc(Nc3cccc(-c4csc(OC)n4)c3)c2cc1OCC 13490781 DYNOAULOHCRWEU-UHFFFAOYSA-N 422.510 5.303 0 1 HKAF CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3c(F)cccc3F)s2)o1 13490951 VAOAJUWPEYBTAB-UHFFFAOYSA-N 424.498 5.643 0 1 HKAF O=C(Nc1cc(-c2ccccc2)nn1-c1cccc(Br)c1)c1ccccc1 13704397 LUOXGHNPQQJBTA-UHFFFAOYSA-N 418.294 5.554 0 1 HKAF CN(C)c1ccccc1/C=C/N1CCc2cc(Cl)c(O)cc2[C@H](c2ccccc2)C1 13799782 VNVWTGBJNZFFOZ-KHMHUBCMSA-N 418.968 5.773 0 1 HKAF COC(=O)CCCCCCCO[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 13839338 FPMDXOCIAGUJBL-IBGZPJMESA-N 413.345 5.461 0 1 HKAF CCCCC[C@@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1ccccc1N1CCCCC1 27563920 ZDEONCYIIVKHGT-HSZRJFAPSA-N 422.569 5.355 0 1 HKAF CO/C=C(/C(=O)OC)c1ccccc1/C=C/CSc1ccccc1C(F)(F)F 27652792 HSIIYIUCKZLWSJ-RRYROPAKSA-N 408.441 5.671 0 1 HKAF CC[C@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4cccc(F)c4)oc3C)ccc21 28566080 WSMJRBPQAUXIIE-UNMCSNQZSA-N 423.484 5.551 0 1 HKAF Clc1cccc([C@]2(Cn3ccnc3)OC[C@H](c3ccc(Cl)cc3Cl)O2)c1 28768796 HHVFSVVMSSBGEL-RTBURBONSA-N 409.700 5.484 0 1 HKAF CCC[C@H](Nc1cncc(-c2ccc(CN3CCC[C@H]3CO)cc2)n1)c1ccccc1 38334432 LZCXAPVDCCLTBD-ZEQRLZLVSA-N 416.569 5.054 0 1 HKAF CCC[C@@H](C)CCC[C@H](C)C(=O)C[C@H](O)[C@@H](C)C/C=C/C1=C(C)CCCC1(C)C 39162884 JSSNFOHEHRIBDT-YADXQKGNSA-N 404.679 7.658 0 1 HKAF in-man CC(C)CCOc1cc(O)cc(OCCCCCCCCCCC(=O)NC2CC2)c1 40952361 PHHNXHHVYFIECJ-UHFFFAOYSA-N 419.606 5.985 0 1 HKAF Oc1cccc(C2=Nc3ccccc3S[C@@H](c3ccc(Br)cc3)C2)c1 40975164 YFJAZXLBKQYPTB-OAQYLSRUSA-N 410.336 6.513 0 1 HKAF c1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1 45285683 WFGYABIAABXTFI-KJYTXNCISA-N 400.610 6.157 0 1 HKAF in-vivo Cc1cccc2nc(-c3ccc(-c4cccc(CNC5CCN(C)CC5)c4)s3)[nH]c12 45302840 XOAVAFXARBYADM-UHFFFAOYSA-N 416.594 5.451 0 1 HKAF COc1cccc([C@H]2CN3CCC[C@H]3c3cc(OCCCN4CCCCC4)ccc32)c1 58503357 PJOPOUWRRPPODZ-SXOMAYOGSA-N 420.597 5.232 0 1 HKAF O=C(c1cnc(NCc2cccc(Cl)c2)nc1-c1ccccc1)N1CCCCC1 82133164 NZUNUIMZVOXUGM-UHFFFAOYSA-N 406.917 5.035 0 1 HKAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccccc3F)n2)C1 82150984 XQXWKNBREYZMHA-FOUBCARRSA-N 424.564 5.074 0 1 HKAF CCCc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1C[C@H](C)CC 82189889 LXFAUYPFRDOIMV-CQSZACIVSA-N 420.388 5.786 0 1 HKAF CCCCCn1c(-c2ccc(OC)cc2)nc2c(NCc3cccs3)ncnc21 82190022 QFHXNWQNCORYAJ-UHFFFAOYSA-N 407.543 5.366 0 1 HKAF O=c1c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2ncn1Cc1ccccc1 95575787 YLRNAYANPYFJNP-UHFFFAOYSA-N 412.880 5.390 0 1 HKAF CC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(O)=C2[C@H]1c1cccs1 104049410 DPMLOSSSACEVOZ-NPMXOYFQSA-N 404.491 5.911 0 1 HKAF Cc1nc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2)oc1C 105189037 KKBSDQXZWOEXOL-VUBIOCNBSA-N 402.542 5.898 0 1 HKAF CCO[P@](=O)(CC)Cc1cccc(Nc2cc(-c3ccccc3OC)ncn2)c1 169346762 GYMVAYZPQOPYJH-GDLZYMKVSA-N 411.442 5.730 0 1 HKAF CCOC(=O)c1ccc(NC2CCC(C(C)(C)C)CC2)c(NCc2ccncn2)c1 205345748 WMHIHQNMHJMRSF-UHFFFAOYSA-N 410.562 5.282 0 1 HKAF Cc1cc(N2CCC(c3ccc(Cl)cc3)CC2)cc(C)c1NC(=O)CC(C)(C)C 207456007 ITMRRSROPXBNMF-UHFFFAOYSA-N 413.005 6.716 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@]2(C)CC[C@H]2C(C)(C)CCC[C@]21C 263637648 OORMXZNMRWBSTK-KNXPLBIVSA-N 414.762 9.524 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 299873090 LNNXWNOUIHYAOR-QOLWHSHMSA-N 420.678 5.554 0 1 HKAF CCC[C@H](C)Oc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 473128120 YLYKMPWESPGEQV-KXBFYZLASA-N 411.542 5.032 0 1 HKAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586918422 YSOMFZSECDGXPS-FNZWTVRRSA-N 410.473 5.010 0 1 HKAF N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 586984235 OUVOMLGSIFAEBF-IBGZPJMESA-N 422.326 5.147 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(N5CCCCC5)c(F)c4)nc13)-c1ccccc1C2=O 586994729 DQMPSCNCDBDVGW-UHFFFAOYSA-N 422.503 6.551 0 1 HKAF COc1cc(-c2nc3c(C)c(Br)cnc3[nH]2)cc(Cl)c1OCC(C)C 587044380 ADDZFHXTSSGTSZ-UHFFFAOYSA-N 424.726 5.393 0 1 HKAF Fc1cc2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc2cc1-n1cccn1 587070503 HLHZZEOIPAZGSL-UHFFFAOYSA-N 424.266 5.924 0 1 HKAF COc1cccc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c12 587071227 KZWHNIGVHVOKDK-MRXNPFEDSA-N 401.894 5.033 0 1 HKAF Cc1cc(Br)cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 587081607 DBJVVHILGFWWGP-UHFFFAOYSA-N 417.694 5.187 0 1 HKAF Cn1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(C(F)(F)F)c1 587111998 JHLUNAKLRRKXSB-UHFFFAOYSA-N 412.131 5.369 0 1 HKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(Br)cnc(Cl)c2[nH]1 587113590 NPDHFEWUBIFOTB-MRVPVSSYSA-N 418.644 5.739 0 1 HKAF COc1c(F)ccc(F)c1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587133533 ZLZBQJZBXKKFBC-UHFFFAOYSA-N 423.135 5.178 0 1 HKAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c(F)c2)c1 587138760 UPQDYHOUHOIESL-UHFFFAOYSA-N 418.321 5.892 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(Cl)c(C)c4[nH]3)c(F)c2)c1 587147186 KHEDCNKCTZIKTA-UHFFFAOYSA-N 410.832 5.705 0 1 HKAF CCCCCOc1cc2nc(CCc3ccccc3F)[nH]c2cc1Br 587151506 ZLGNXKJJCBYOOU-UHFFFAOYSA-N 405.311 5.819 0 1 HKAF COC(=O)c1cc(Br)c2[nH]c(-c3[nH]c4ccc(F)cc4c3Cl)nc2c1 587174997 VDSGOQSOKGVQMY-UHFFFAOYSA-N 422.641 5.053 0 1 HKAF CCCCOc1cc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c2cc1Br 587243582 GPMGVPWIZHGVCW-MDZDMXLPSA-N 414.303 5.156 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2[nH]c4c(C)cccc4c2C3)c1 587364116 XHTIEVIQCBHEEJ-UHFFFAOYSA-N 416.480 7.018 0 1 HKAF COc1cccc(-c2cc(CC(=O)c3ccc(C)cc3)nc3c2oc2ccccc23)c1 587366673 YANXRKWIQHHDNH-UHFFFAOYSA-N 407.469 6.390 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(COc4ccc(Cl)c(C)c4)o1)[C@@H](C2)C3=O 587423749 VVGMJJBUQWXQJN-GAJHUEQPSA-N 410.853 5.318 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccccc3C(=O)OC)o1)CC2=O 587476595 CWSVVFLDEZNJMW-JOCHJYFZSA-N 406.434 5.098 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(/C=C/C(=O)OC(C)(C)C)cc1)CC2=O 587479692 CPOQMTGYPUCNTJ-UBLKFNIESA-N 408.494 5.406 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1c(N)sc(C)c1C)CC2=O 587492459 PKKXKZYYYJMSNE-VWLOTQADSA-N 421.562 5.823 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(CC(C)C)cc1)(c1cccs1)CC2=O 587494487 LZVRCKTZIHXDGY-AREMUKBSSA-N 420.574 6.514 0 1 HKAF COc1c(C)cc(-c2csc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2)cc1C 587536375 VMFKXTLPQCMSOM-JOCHJYFZSA-N 419.546 6.021 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)c(F)c1 587549592 RDRIETBRQHFOFE-PXNSSMCTSA-N 404.315 5.253 0 1 HKAF CC(C)[C@]1(c2ccc(Cl)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552972 DGBZABVEMCLOQB-NZQKXSOJSA-N 412.844 5.698 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1cc(F)ccc12 587572520 VSCWEYQYBAFOKV-OZXSUGGESA-N 410.400 5.417 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587604634 XPVVCQZVKZVOOR-LEAFIULHSA-N 422.480 5.914 0 1 HKAF Cc1nc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cs1 587615636 XIFBEVBHYGMBNL-KNQAVFIVSA-N 421.499 5.589 0 1 HKAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1ccccc1C(C)C 587622522 CGNWDDQMANSCPB-UHFFFAOYSA-N 411.303 5.491 0 1 HKAF Fc1cc2c(Nc3cccc(C(F)(F)F)c3)c(-c3ccccc3)[nH]c2cc1Cl 587629872 LYWVFAPKFGIDBV-UHFFFAOYSA-N 404.794 7.390 0 1 HKAF Cc1cccc(Br)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587676354 GTSMPNYHGDBOQK-BMLIUANNSA-N 413.128 5.283 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2ccccc2Cl)N1 587701974 YMKKBCDZTXIDRY-JEOXALJRSA-N 410.714 5.264 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(C(F)(F)F)c2)N1 587709858 BMHIROTVCFFRCM-BMLIUANNSA-N 402.229 5.405 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(C)(C)C)(c2ccc(F)cc2)N1 587732480 NKTGINCMQUFDGM-LRTDBIEQSA-N 408.330 5.941 0 1 HKAF Cc1nn(-c2ccccc2)c(C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587757539 ONUOFZQOIXQNJT-GTJPDFRWSA-N 414.322 5.014 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc2c(c1)CCC2 587865169 WIEMESCHHYIHCP-UHFFFAOYSA-N 400.400 5.145 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(-c2ccc(F)cc2)s1 587870428 HWHUTDCGBFVHEE-UHFFFAOYSA-N 410.445 5.644 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(Br)cnc4[nH]3)c2C)c(OC)c1 587928717 HVPNVGGFYGZAKG-UHFFFAOYSA-N 424.298 5.380 0 1 HKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 587950487 LXNKZZJDZFELQP-GLJUWKHASA-N 409.368 6.159 0 1 HKAF Fc1c(Br)cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1F 587957082 ZZEOATJBHLDURL-HNNXBMFYSA-N 413.265 5.978 0 1 HKAF Fc1ccccc1-c1ccc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)o1 962634046 HCSQNUSBZPZTBF-RBISFHTESA-N 424.519 5.922 0 1 HKAF Cc1cc(CN2CCCC[C@@H]2C)c(C)c([C@H]2NCCc3cccc(-c4ccccc4)c32)c1 962668798 XZFIJOKDTYNBMN-SMSORMJASA-N 424.632 6.580 0 1 HKAF Cc1ccnc2c1CCN[C@@]21CC[C@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 963065359 DCTHWZMXQDLJQH-ZTDSULIRSA-N 406.614 5.055 0 1 HKAF CCSc1ccc([C@]2(c3ccc(C(C)(C)C)cc3)NCCc3c(C)ccnc32)cc1 963071030 ISFGPVYBLMOTJF-MHZLTWQESA-N 416.634 6.237 0 1 HKAF Fc1cccc2c1[C@H](c1ccc(-c3ccc(Cl)c(Cl)c3)cc1)N1CCC[C@H]1C2 963112375 SJMLCDUPWBWAIT-CYFREDJKSA-N 412.335 6.909 0 1 HKAF CSc1ccccc1[C@]1(c2cccc(Cl)c2)NCCc2c(C(=O)O)cccc21 963122425 NBZLCEWIPXDKDE-HSZRJFAPSA-N 409.938 5.198 0 1 HKAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1ccc(C)cc1)c1cc(F)cc(F)c1 963639612 VXSXBYWQWNFILZ-PUAOIOHZSA-N 409.476 5.117 0 1 HKAF Cc1cc(-c2ncc(CNC(=O)c3ccc4c5ccccc5n(C)c4c3)cc2F)ccn1 1772646476 ARNYIZFFKIJYMQ-UHFFFAOYSA-N 424.479 5.166 0 1 HKAF C=[S@@](NC(=O)Nc1ccc(Cl)cc1)c1sc(Cl)c2c1C(=O)CCC2 1857610884 MWIFMLTVWVAUKV-XMMPIXPASA-N 401.340 5.370 0 1 HKAF C[C@](O)(CCCCCCCCC=CC=Cc1ccccc1)C[C@]1(C)OC(=O)C[C@H]1O 2356344499 BBUUFCRHKRIKHW-AFESJLNVSA-N 414.586 5.584 0 1 HKAF C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 2356581392 UPFMAJNOHQYMSO-SVWHSELZSA-N 412.702 7.779 0 1 HKAF COc1ccc(-c2cccc(-c3cc(=O)oc4cc(OC)c(OC)c(OC)c34)c2)cc1 13814618 XTUVYLFCPDGFAY-UHFFFAOYSA-N 418.445 5.161 0 3 HKAF CC(C)OP(=O)(OC(C)C)[C@H](Nc1cccc(C(F)(F)F)c1)c1ccccc1 3092948 AYIWGPDNEAZTHT-IBGZPJMESA-N 415.392 6.859 0 1 HKAF CC[C@@H](C)Oc1cc2ncnc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OC 13490845 KQEHXCRMWRBQOF-CQSZACIVSA-N 420.538 5.991 0 1 HKAF COC(=O)CCCCCCCO[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 13839341 FPMDXOCIAGUJBL-LJQANCHMSA-N 413.345 5.461 0 1 HKAF Cc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)cc1 13864338 MXXBYPWGYJAZAS-UHFFFAOYSA-N 414.317 5.523 0 1 HKAF C[C@]12CC=C3[C@H](CCC4=CC(=O)CC[C@@]43CCSc3ccccc3)[C@H]1CCC2=O 14947044 CVDBWXQIMAZHCH-ULDOEVFSSA-N 406.591 6.170 0 1 HKAF NCc1c(N)nc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(Cl)cc1Cl 14948365 HQTMVECTONHOFD-UHFFFAOYSA-N 413.230 5.177 0 1 HKAF Fc1ccc(CCN2CCN3C[C@H]2CC[C@@H]3C(c2ccccc2)c2ccccc2)cc1 22932208 ASCHJKMZVWSSIF-KAYWLYCHSA-N 414.568 5.349 0 1 HKAF Clc1ccc([C@@]2(Cn3ccnc3)OC[C@@H](c3ccc(Cl)cc3Cl)O2)cc1 28769616 YAJAVHCPGKNFEZ-OALUTQOASA-N 409.700 5.484 0 1 HKAF CCCC[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3[C@]23CCN(C)[C@@H](C4)[C@H]13 29411567 YLFVOHQBMMEFKC-NPWGCUTASA-N 414.549 5.409 0 1 HKAF CCC/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)CC/C=C(\C)CCC=C(C)C 36330311 BDXBJEWPEYOYJA-IUBLYSDUSA-N 410.384 5.412 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4cccc(CN5CCC[C@@H](O)C5)c4)s3)nc12 45166881 WOUSSKJJCHIVRP-LJQANCHMSA-N 403.551 5.224 0 1 HKAF Cc1cccc2nc(-c3cccc(-c4cccc(NC(=O)c5cncn5C)c4)c3)[nH]c12 45324176 JNMVGGMJFGBTFN-UHFFFAOYSA-N 407.477 5.191 0 1 HKAF O=C1c2ccccc2O[C@@H](c2ccc(OCCN3CCCC3)cc2)[C@@H]1c1ccccc1 45352321 OUIIJPBTYMXUER-VPUSJEBWSA-N 413.517 5.261 0 1 HKAF Cn1c2ccccc2c2cc([C@H]3Nc4ccc(Cl)cc4[C@@H]4OCCC[C@H]34)ccc21 72114361 CEAWARRGYDKQEM-ZYKLXPEUSA-N 402.925 6.619 0 1 HKAF CCCC[C@H](c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCC[C@H]1C 73220565 ZGPMBWMVYGOTRT-QDPGVEIFSA-N 404.642 7.055 0 1 HKAF COc1cc(N[C@@H](C)CCCNC(=O)Oc2ccc(Cl)cc2)c2ncccc2c1 84564631 DQHWWBABYKEVJT-HNNXBMFYSA-N 413.905 5.266 0 1 HKAF C/C(=C(/OCCCCOc1ccccc1Cl)c1ccc(F)cc1F)n1cncn1 84741374 QIQQYHFDKOLLQI-QNGOZBTKSA-N 419.859 5.431 0 1 HKAF O=C1C[C@H](c2ccccc2)C(=O)N[C@H](c2ccccc2)C/C=C\C[C@@H](c2ccccc2)N1 95664119 GPBYDCUKLUJVJM-SYKVBRFPSA-N 424.544 5.225 0 1 HKAF c1ccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCCO5)o3)cc2)cc1 96271061 PMMSNAUVALVAPD-UHFFFAOYSA-N 402.475 5.467 0 1 HKAF COc1ccc([C@]23Cc4ccccc4[C@@H](O2)C2=C(CC4(CCCCC4)OC2=O)O3)cc1 102888436 OTRKBCCWZBKJFL-BVAGGSTKSA-N 418.489 5.096 0 1 HKAF Cc1ccc(-c2cc(C(=O)Oc3ccc(C(C)C)cc3)nn2Cc2ccccc2)cc1 103184758 QWRQZHCUYFDDBS-UHFFFAOYSA-N 410.517 6.249 0 1 HKAF CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)[C@@H]1CC[C@@H](Nc2ccccc2)C1 114097424 TVTVNRYRJNAIKK-FYYLOGMGSA-N 422.569 5.113 0 1 HKAF c1ccc(-c2nnn[nH]2)c(-c2ccc(Cn3c4ccccc4c4ccccc43)cc2)c1 169311203 BSSVNJGGIQWAGT-UHFFFAOYSA-N 401.473 5.690 0 1 HKAF CCCNC(=O)Nc1cc(C(=O)O)cc(NCc2ccccc2)c1Oc1ccccc1 169343292 YPRUISPVHRMLGF-UHFFFAOYSA-N 419.481 5.321 0 1 HKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@H](CCC(=O)O)[C@H]2CO 169346902 HJMNQQXEECLHNG-QZTJIDSGSA-N 406.563 5.368 0 1 HKAF C[C@H]1CCC([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC(=O)[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)=NC1 169356068 QAGPPGDCPAPQLW-VURUIONTSA-N 413.646 5.692 0 1 HKAF C[C@@H]1CC=C2[C@@H](CCCC2(C)C)[C@]1(C)CCC1=CC[C@@H](C2=CC(=O)O[C@H]2O)OC1 238742963 GWCZMTHDKIPBNV-CPHWUPBPSA-N 400.559 5.082 0 1 HKAF O=C(O)c1sc(-c2cn(-c3ccccc3)nc2-c2ccccc2)nc1-c1ccccc1 299857011 DMWKGHAOYSKCGP-UHFFFAOYSA-N 423.497 6.028 0 1 HKAF C[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)CCCC(C)(C)O)/C1=C/C=C1C[C@@H](O)C[C@H](O)C1 473096962 CNQFIOFJJBBFKJ-AFSNMBIGSA-N 418.662 5.785 0 1 HKAF CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)CCn1c(C3CCCCC3)nc3ccccc31)C2 535385392 SLSHAQAUYNMJCT-SNOBZRMMSA-N 407.602 5.805 0 1 HKAF in-vitro COc1cc(Br)cc(C=O)c1OCc1nc2ccc(C(C)(C)C)cc2[nH]1 586979931 GPQPDYXTHMBCLH-UHFFFAOYSA-N 417.303 5.023 0 1 HKAF Fc1cc(F)c2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2c1 587018311 YOAHKETUAXQMLD-UHFFFAOYSA-N 412.284 5.379 0 1 HKAF COc1cccc(-c2ccc(-c3nc4c(Br)ccnc4[nH]3)c(Cl)c2)c1 587051470 CWSKAMXKNRULPF-UHFFFAOYSA-N 414.690 5.716 0 1 HKAF COc1ccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c(C(F)(F)F)c1 587098659 WKEPWNXTYXVWGM-UHFFFAOYSA-N 407.136 5.298 0 1 HKAF Cc1ccc2c3c(cc(/C=C/[C@@H]4C(C)(C)CC[C@H]5O[C@]54C)nc13)-c1ccccc1C2=O 587102044 LYGYQOVJLBICAU-BMLQIFEESA-N 409.529 6.362 0 1 HKAF Nc1cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2cn1 587112915 WJSQXOUDFOCGNB-UHFFFAOYSA-N 422.332 5.912 0 1 HKAF Cc1c(F)cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1F 587132669 IIFHCWCGEIHZII-UHFFFAOYSA-N 407.136 5.478 0 1 HKAF Cc1ccc2c(ccc3nc(-c4ccc(-c5ccc(C)c(F)c5)cc4Cl)[nH]c32)n1 587146055 XHRQXQVMBUUXNC-UHFFFAOYSA-N 401.872 6.854 0 1 HKAF CCCCCCc1c(-c2ccc(O)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587207347 RYFLOTJWGVETEM-UHFFFAOYSA-N 407.513 6.942 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1 587229936 MRMSBROJJMWMKP-UHFFFAOYSA-N 404.473 5.468 0 1 HKAF C[C@]1(c2c(F)cc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337385 VKPKNFQBAQPFCZ-KNQAVFIVSA-N 418.798 5.737 0 1 HKAF Cc1cc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1C=O 587350210 DIJHAJDIFQKNHV-AZGAKELHSA-N 418.464 5.543 0 1 HKAF CCCCCc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587357878 WHHSWCVFAFEWAY-BDYUSTAISA-N 418.508 6.538 0 1 HKAF CCOC(=O)[C@@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C=C1C 587362205 GTWJDWHRCSOARW-LJQANCHMSA-N 413.473 5.795 0 1 HKAF CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1OC(C)=O 587499340 SHKFSJZUVITITR-FQEVSTJZSA-N 414.885 5.249 0 1 HKAF O=C1C[C@@](Cc2ccc(F)c(F)c2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587503502 HFAMPRRLKPONDZ-SANMLTNESA-N 404.456 5.947 0 1 HKAF COc1c(Br)ccc(F)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587508089 RMJIOMHNPWUWSQ-KRWDZBQOSA-N 405.263 5.182 0 1 HKAF CC(C)(C)c1cc2c(c([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c1)CCC2(C)C 587526614 VWKLDKREIULSHU-LJAQVGFWSA-N 416.605 6.967 0 1 HKAF Cc1cccc2c1Oc1cc(O)cc(O)c1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587533453 UBHMWZZOAVNQAM-AREMUKBSSA-N 414.457 5.300 0 1 HKAF COC(=O)CCCCCCCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592726 JUXMPEPDOTZNDZ-KNQAVFIVSA-N 412.482 5.016 0 1 HKAF Cc1ccc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 587600807 CIOMFKZNTUAZLS-LSYYVWMOSA-N 422.480 6.245 0 1 HKAF Cc1oc(-c2cccs2)nc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611737 JMSXEKRNSFPMLU-DYESRHJHSA-N 405.431 5.120 0 1 HKAF CC(C)C[C@]1(Cc2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587704111 SFEKOZBFWDGVQH-SPLOXXLWSA-N 424.785 6.260 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CCC(F)(F)F)c2)N1 587708569 BOJYSJSBZHOBRK-VOJFVSQTSA-N 416.256 5.707 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(C(F)(F)F)c2)N1 587711511 KVUYDYUMLVAOBO-PWJLMRLQSA-N 406.192 5.370 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)(F)F)nc2Cl)N1 587712452 KRFNJZXRZNSRDQ-NXSYQRQQSA-N 423.635 5.279 0 1 HKAF Cc1cc(C(F)(F)F)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587712561 PLWKMDWGXNWERE-QGHHPUGFSA-N 402.229 5.539 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(SC(F)F)cc2)N1 587722762 ZQCINDMTVWLVPR-XTZNXHDOSA-N 416.306 5.701 0 1 HKAF Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1C 587756493 RQVIBASZEJVCAR-XUSGNXJCSA-N 401.323 5.186 0 1 HKAF CCC[C@@H](CC1(c2nc3cc(C)c(C)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782285 RQHPPVLKHRDACP-QFIPXVFZSA-N 418.581 6.541 0 1 HKAF CCc1ccc(-c2c[nH]nc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587789125 ACEQLTFSWWGBCK-ODXCJYRJSA-N 414.322 5.164 0 1 HKAF COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC(C)C 587793853 NVJWUPCWIBGQOR-BLVKFPJESA-N 408.311 5.008 0 1 HKAF COc1ccccc1[C@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587810961 YQCQTMYKXXOANX-ASSNKEHSSA-N 406.339 5.421 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC/C2=C\c2ccccc2)N1 587820198 YUICOSYFISDFLR-GGRIOMNLSA-N 400.335 5.975 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccccc3)s2)N1 587850537 ZSNOWZWBGZMKIA-LRTDBIEQSA-N 416.359 6.114 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2sc2ccccc32)N1 587857628 LZFAFLFTLPIMGY-QKVFXAPYSA-N 416.359 5.917 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1ccc(F)cc1 587864615 NDOSHMCBRVBFLW-CYBMUJFWSA-N 422.378 5.214 0 1 HKAF O=C(O)CCCCCCCCCCCCc1nc2cc(Br)ncc2[nH]1 587957004 PATQVHWMJDMRGI-UHFFFAOYSA-N 410.356 5.639 0 1 HKAF Cc1cccc(-c2sc(C)nc2C(=O)N2CCC[C@H]2Cc2ccc(C)c(Cl)c2)c1 653786047 BMSNSFNLDHKCKW-FQEVSTJZSA-N 424.997 6.236 0 1 HKAF COc1ccc2c(c1)[C@](C[C@@H]1CCC[C@H]1C(=O)O)(c1ccc(C)cc1)N(C(C)C)CC2 962088355 FREFDHFUUTVPHZ-WBWMCNGVSA-N 421.581 5.405 0 1 HKAF Brc1cccc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962628330 AHTMZBYPAPFDMQ-LADGPHEKSA-N 419.366 5.285 0 1 HKAF Cc1ccc(C)c([C@@]2(C[C@@H](C)CC(=O)O)c3ccsc3CCN2Cc2ccco2)c1 962709075 QWWYUZAQVDACJP-AVRWGWEMSA-N 423.578 5.761 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cn(-c3ccc(Cl)cc3Cl)nn2)N1 962949283 FEOGHSGBKRXWJZ-ASSNKEHSSA-N 412.324 5.069 0 1 HKAF Cc1ccc(CC[C@]2(c3cc(F)cc(Cl)c3)NCCc3nc4ccccn4c32)cc1 962984897 OMMQGUWXZQLQMV-RUZDIDTESA-N 419.931 5.457 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@]2(c1ccc(Cl)nc1)c1ccc(F)c(F)c1 963105173 LZGWYNFZBSECEK-JPYJTQIMSA-N 414.858 5.465 0 1 HKAF Cc1ccc([C@@]2(c3c(N)sc(C)c3C)NCCc3c(Cl)cc(Cl)cc32)cc1 963106229 JXJRPPVXOLNMFF-JOCHJYFZSA-N 417.405 6.000 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]2(c1ccsc1)c1ccccc1C(F)(F)F 963112269 XGTQZWCQPQKNPT-AVRDEDQJSA-N 417.471 6.218 0 1 HKAF CCN(CC)CCCOc1ccc(Nc2nccc(-n3ccc4ccccc43)n2)cc1 1857539219 ARNFKMATHXUAFB-UHFFFAOYSA-N 415.541 5.275 0 1 HKAF Cc1ccc(-c2ccc(Nc3ccnc(NC4CC(C)(C)NC(C)(C)C4)n3)cc2)cc1 1857589367 CZMBEQDOKLLPBT-UHFFFAOYSA-N 415.585 5.917 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 2356538641 MCWVPSBQQXUCTB-ADFYZVDGSA-N 412.702 7.945 0 1 HKAF COc1cc(O)c(C)c(CC=C(C)CC=CC(C)=C[C@H](C)[C@@H](O)C(C)=CC(C)C)n1 2356675618 CHFFBNSQZJTFMA-LVXARBLLSA-N 413.602 6.085 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@]1(O)[C@H](O)C3 2356682177 NWTTZHBMXCCOSW-LTTAYSCNSA-N 416.646 5.539 0 1 HKAF CC(C)CCC[C@](C)(O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21CO 2356784954 QTQKNZXEFYEVDA-IWSZWWFDSA-N 418.662 5.764 0 1 HKAF Brc1cccc(-c2nc3c4ccccc4ccn3c2Cc2ccccc2)c1 72102430 PLRCQUGGSYTGAO-UHFFFAOYSA-N 413.318 6.508 0 3 HKAF O=C(NCCc1ccccc1F)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 773705 SYGKXCDRELDEBW-UHFFFAOYSA-N 404.416 5.259 0 1 HKAF COc1ccc(-n2c(-c3ccccc3)cc(-c3cccs3)c2-c2cccs2)cc1 1861831 YBHIJPKGACWFCS-UHFFFAOYSA-N 413.567 7.610 0 1 HKAF Clc1ccc(/C=C/c2nc(-c3ccc(Cl)cc3)cn3c2nc2ccccc23)cc1 5596391 PHLUJQIPOUPQMU-VGOFMYFVSA-N 416.311 7.027 0 1 HKAF C/C(=C\CC/C(C)=C/CCc1ccoc1)CC/C=C(/CC/C=C(\C)C(=O)O)C(=O)O 13434620 PDLLQHLQXNHVGF-PPPKPQIRSA-N 414.542 6.487 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C 13737999 JICPLVNQNDWMTG-UHFFFAOYSA-N 423.601 7.534 0 1 HKAF Cc1ccccc1Sc1nc(Nc2ccc3[nH]cnc3c2)ncc1C(F)(F)F 28523311 ROKHSHSVLISECG-UHFFFAOYSA-N 401.417 5.575 0 1 HKAF COc1c(C(=O)CC(C)C)c(O)c(CC=C(C)C)c2oc(=O)cc(-c3ccccc3)c12 28525344 NIVXDXNXQGFSQS-UHFFFAOYSA-N 420.505 5.912 0 1 HKAF biogenic O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCCCCCCn1cc2c2ccccc21 28528924 BWYVYQMNEAJHRF-UHFFFAOYSA-N 423.516 5.127 0 1 HKAF COc1ccc(-n2cc(C(=O)NC3CCCCC3)nc2-c2ccccc2Cl)cc1 28702467 SONKJJVDAPWVFT-UHFFFAOYSA-N 409.917 5.264 0 1 HKAF in-vitro CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3)C(C)C 33820625 FQJAPGMYXUZOEN-XCTFYFDISA-N 412.702 7.945 0 1 HKAF C[C@@H](N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1Cl)c1cccc2ccccc12 36476024 GAIWLIJUVMFZDL-UOKFIYJESA-N 406.957 5.885 0 1 HKAF O=C1NC(=O)[C@H](Cc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2)S1 45390080 QPLQQIMYMYLKDV-AWEZNQCLSA-N 401.793 5.045 0 1 HKAF CCC1(CC)CN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1C 59940980 SWKUTDHWEYGQHY-GGAORHGYSA-N 400.969 5.862 0 1 HKAF CCOC(=O)c1c(N)oc2c1c(Sc1ccc(Cl)cc1)c(O)c1ncccc12 66079734 KANACYFJQABPNA-UHFFFAOYSA-N 414.870 5.250 0 1 HKAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NCc3ccccc3)nc2-c2ccccc2F)C1 82152795 HXZJUZGLMMDHKQ-HDICACEKSA-N 418.516 5.013 0 1 HKAF CCc1cnc(-c2cnc(NCCc3ccc(OC)cc3)nc2-c2ccccc2)s1 82163369 ZYLKUDNDIGWITE-UHFFFAOYSA-N 416.550 5.493 0 1 HKAF CCC(CC)c1nc2c(NCc3ccccc3C)ncnc2n1CC[C@H]1CCCN1C 82180507 DKOOYJWIBSSWGM-OAQYLSRUSA-N 420.605 5.135 0 1 HKAF COC1(COc2cc(F)cc3ccc(-c4nnc5ccccn45)nc23)CCCCCC1 96175106 QYYMVPIFEAKDBA-UHFFFAOYSA-N 420.488 5.202 0 1 HKAF CC(C)CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1cccnc1 100703478 VMASCLVASYCFQY-KRWDZBQOSA-N 424.570 5.566 0 1 HKAF Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc(-c2ccccc2)n1Cc1ccc(Cl)cc1 101189434 RAHLSSRKGVUWGG-ZILOHOTNSA-N 418.968 6.084 0 1 HKAF N=c1c2c([nH]c(=S)n1-c1ccccc1)NC1=C(CCCC1)[C@@H]2c1ccc(Cl)cc1 103164506 UMTGWNPTUZHQHQ-IBGZPJMESA-N 420.969 6.053 0 1 HKAF Fc1ccc(F)c(-c2noc(-c3cnn(C4CCCCC4)c3-c3ccccc3)n2)c1 114612408 NKXJIWGMVJSZIP-UHFFFAOYSA-N 406.436 6.051 0 1 HKAF Cn1ccc2cc(-c3ccc4oc(N5CCN(c6ccccc6)CC5)nc4c3)ccc21 148971566 VJHKBYWIHDBIIU-UHFFFAOYSA-N 408.505 5.313 0 1 HKAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C=C(P(=O)=O)CC[C@]4(C)[C@H]3CC[C@]12C 169684327 VAZGGNWSINMGEQ-AOPMISHVSA-N 419.546 6.227 0 1 HKAF COC(=O)c1[nH]cc2c1[C@]1(CNc3ccc(Cl)cc31)c1[nH]c3ccc(Cl)cc3c1-2 201673817 CANUOBPCCLZMKM-JOCHJYFZSA-N 424.287 5.330 0 1 HKAF O=C(NC[C@@H](CC1CC1)c1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl 205778407 FJZHHXCQDLYUDX-CYBMUJFWSA-N 417.258 5.721 0 1 HKAF CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc(-c2cnco2)cc1)c1ccccc1 218448248 CFHYBLZZANICEX-CCUDOUGISA-N 421.496 6.809 0 1 HKAF COc1cc2c(=O)c(OC)c(-c3ccccc3)oc2c2c1Oc1ccccc1C2(C)C 238747891 VRDGPIAFHOHDQQ-UHFFFAOYSA-N 414.457 5.909 0 1 HKAF O=C1O/C(=C\c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c2ccccc21 586906550 NULAVMUTJJSLEI-AUWJEWJLSA-N 409.161 5.013 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586916212 LENCWIGOIFAANN-ORAYPTAESA-N 408.807 5.452 0 1 HKAF Cc1ccc(-n2cnnc2SCc2nc3ccc(C(C)(C)C)cc3[nH]2)cc1Cl 586968814 WPKNSAZLXDRMTE-UHFFFAOYSA-N 411.962 5.695 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587034480 NHRJJYIBPCUJEA-LLVKDONJSA-N 419.337 5.751 0 1 HKAF Cc1ccc(C)c(-n2ncc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2C)c1 587105188 RULIOOAHGAVDLS-UHFFFAOYSA-N 415.496 6.224 0 1 HKAF COc1cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1Cl 587110495 ZNOCCFXRIMEOQO-UHFFFAOYSA-N 408.729 5.853 0 1 HKAF Fc1cc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2cc1Br 587116433 WVVKSMUUKJWJEA-UHFFFAOYSA-N 411.156 5.094 0 1 HKAF Cc1c(Br)cc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2c1C 587163198 MEITTZFRDBQIHH-UHFFFAOYSA-N 423.285 5.979 0 1 HKAF CCN1/C(=C\c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)Sc2ccccc21 587208645 WOFWIXWGXRAGNN-BUVRLJJBSA-N 406.510 6.377 0 1 HKAF Oc1ccccc1[C@@H](c1ccccc1)c1c(-c2ccccc2)nc2cccc3c2c1CC3 587215622 KKPWIUGOYSMEKW-MUUNZHRXSA-N 413.520 6.886 0 1 HKAF O=C(Nc1ccccc1)c1ccc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)cc1 587244250 MMTBZZMNSVHYOT-UHFFFAOYSA-N 419.484 6.061 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CSCc3c(F)cccc32)[C@@H]1c1ccc(F)cc1 587328375 ABEVVAZVNINQAU-GGAORHGYSA-N 410.441 5.172 0 1 HKAF C[C@]1(c2ccc(N3CCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345517 PSSGFOMTEKANLP-AOYPEHQESA-N 417.480 5.406 0 1 HKAF C[C@@]1(c2ccc(N3CCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345521 PSSGFOMTEKANLP-RSXGOPAZSA-N 417.480 5.406 0 1 HKAF COc1ccc2c(c1)CCCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348022 GDSJYKXEALVBST-AOYPEHQESA-N 418.464 5.521 0 1 HKAF CC(C)(C)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587357464 UJDUKZRUQSAOPW-ZEQKJWHPSA-N 404.481 6.103 0 1 HKAF CC(C)=CCOc1cc(Br)ccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587378672 WUGLZIGIPCGLKI-HXUWFJFHSA-N 416.315 5.391 0 1 HKAF COC(=O)c1ccc(F)c(-c2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)c1 587381316 GYFKDXCWOMOUAS-RUZDIDTESA-N 419.452 5.051 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)c(OCc3ccccc3C)c(C)c1)O2 587401938 ZWJRKFLWQGNIJU-DEOSSOPVSA-N 401.506 5.788 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(Cl)cc4Cl)o1)[C@@H](C2)C3=O 587417641 DNMZESSXGDVWBI-QKKBWIMNSA-N 401.245 5.751 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(CCCCCCCCCCCCC(C)=O)[C@@H](C2)C3=O 587441646 ICVPZXMTLABWJL-BKMJKUGQSA-N 414.586 6.472 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(C1CCOCC1)CC2=O 587460316 HAVRSEZINUNBOY-QHCPKHFHSA-N 400.902 5.285 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3c(Br)cc(C)cc13)CC2=O 587460693 VQSCPQSHTRDWPL-IBGZPJMESA-N 414.299 5.603 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(-c3ccccc3)nn(C)c1Cl)CC2=O 587462380 QADPWLHXPNLNBL-HSZRJFAPSA-N 410.901 5.279 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCc3ccccc3F)c1)CC2=O 587466697 MFIKXGMDHPJSLB-XMMPIXPASA-N 406.453 5.769 0 1 HKAF O=C1C[C@@H](c2ccccc2Oc2ccc(F)c(F)c2)Oc2c1ccc1c2CCCC1 587507326 VXUXOVMSTBBMBK-DEOSSOPVSA-N 406.428 6.342 0 1 HKAF C[C@]1(c2ccccc2-c2cccc(C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587530943 XAWLEIBCHJAQOQ-HHHXNRCGSA-N 412.485 5.811 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ncc1C(F)(F)F 587554826 JNZQIIGNCSZTSN-QFBILLFUSA-N 421.758 5.162 0 1 HKAF Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)F)cc1C 587622195 CWQFWSVLZSSGMD-UHFFFAOYSA-N 418.241 5.538 0 1 HKAF Cc1nc2ccc(C(=O)O)cc2c(Cl)c1Cc1c(C)[nH]c2cc(Cl)c(F)cc12 587629119 VELFPMJMDAZAKM-UHFFFAOYSA-N 417.267 6.068 0 1 HKAF Cc1ccc2nc(Cl)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587707786 WZGHGUAUQITGGU-WYRIXSBYSA-N 419.725 5.722 0 1 HKAF Cc1ccc(-n2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c(C)c1 587752147 CCRDSHAPTKFRKB-IVZQSRNASA-N 413.334 5.619 0 1 HKAF Cc1ccc(-n2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1C 587755503 AGLYZNRPEUSSET-QKKBWIMNSA-N 414.322 5.014 0 1 HKAF CCCOc1cccc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 587777877 DPUZRHZMKPSTDI-UHFFFAOYSA-N 413.237 5.724 0 1 HKAF CCCc1ccc([C@]2(C(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587809976 BQWDKQSRFFVVGW-QRQCRPRQSA-N 404.367 5.975 0 1 HKAF Brc1ncc(Br)c2[nH]c(-c3ccc(OC4CCC4)cc3)nc12 587951856 UJYVHRISWZCLCY-UHFFFAOYSA-N 423.108 5.081 0 1 HKAF COC(=O)c1cc2[nH]c(C(=O)CCc3ccccc3)nc2c(F)c1Nc1ccccc1 587953766 SRLQXBPWEYMVKJ-UHFFFAOYSA-N 417.440 5.048 0 1 HKAF O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1cnoc1-c1ccccc1 621476115 NMDMMFLGHSXABL-UHFFFAOYSA-N 413.264 5.146 0 1 HKAF Cc1ccc([C@@]2(c3cc(F)cc(F)c3)NCCc3ccc(F)c(C)c32)cc1Cl 962148675 TVBCHPMOLXUMSH-QHCPKHFHSA-N 401.859 5.812 0 1 HKAF COc1ccc2c(c1OC)[C@@H](c1cccc(-c3ccc(C(=O)O)cc3)c1)N(C)[C@H](C)C2 962634605 UNDQRYJXASHFLE-VOIUYBSRSA-N 417.505 5.035 0 1 HKAF COCOc1ccc([C@H]2NCCc3cc(-c4ccccc4)ccc32)cc1Br 962660199 HMMMRGKJGQGOPA-HSZRJFAPSA-N 424.338 5.334 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccn2-c2ccc(Br)cc2)N1 962958280 PPUQYOUPJLFPOO-HJPURHCSSA-N 420.354 5.735 0 1 HKAF Fc1cc(Cl)cc(CC[C@]2(c3ccccc3F)NCCc3nc4ccccn4c32)c1 962983559 BOOAUOUANFNRAY-XMMPIXPASA-N 423.894 5.288 0 1 HKAF Clc1cccc2c3c([nH]c12)[C@@]1(CCC3)c2ccsc2CCN1Cc1cccnc1 962995703 GRUVGFTYQLGTDJ-XMMPIXPASA-N 419.981 5.916 0 1 HKAF CN1C(=O)C[C@H]2CN[C@](Cc3ccc(F)cc3)(c3ccc(Cl)cc3)c3cccc1c32 963030437 NSNWOZAIQIWQLT-SSOJOUAXSA-N 420.915 5.019 0 1 HKAF CN1CCc2c(Br)cccc2[C@]1(Cc1ccccc1Cl)[C@H]1CCOC1 963288409 AGLAJOHGTFUJDT-KKSFZXQISA-N 420.778 5.065 0 1 HKAF Cc1ccc(-c2csc3nc(-c4cc5cc(Br)ccc5o4)cn23)cc1 1857572975 VOHOLKQUSMCUKA-UHFFFAOYSA-N 409.308 6.547 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@]4(O)[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 2356722085 XWGRHEMBEMXJCU-GWTUGWSKSA-N 416.690 6.750 0 1 HKAF COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(C)C[C@@H]4[C@@H]3c2ccccc2)cc1 13812989 APSKRXQLXFKZGD-DFINWVHASA-N 423.556 5.592 0 3 HKAF CC[C@@H](C)Sc1ccc(-c2nc3ccc(Cl)cn3c2NCc2ccccc2)cc1 61959826 VULOIEXFFWYXRR-QGZVFWFLSA-N 421.997 7.157 0 3 HKAF O=C(c1ccccc1)c1sc(Nc2ccc3c(c2)OCO3)nc1-c1ccccc1 72137947 ITGYTXYNPSDJJK-UHFFFAOYSA-N 400.459 5.513 0 3 HKAF COc1ccc(CN2C(=O)c3cccc4cccc(c34)[C@@H]2c2nc3ccccc3[nH]2)cc1 95567570 IMUBPFCKDPLNJK-RUZDIDTESA-N 419.484 5.470 0 3 HKAF CCc1nnn2c1Cn1c(nc(-c3ccccc3)c1-c1ccccc1)-c1ccccc1-2 209983563 OIAUCEILIUHEKW-UHFFFAOYSA-N 403.489 5.389 0 3 HKAF COc1cccc(-c2nc3sc4c(c3c(=O)n2Cc2cccc(F)c2)CCCC4)c1 3018229 CCXKBORTTKPKHK-UHFFFAOYSA-N 420.509 5.200 0 1 HKAF COc1cc(O)cc(O)c1C(=O)[C@H]1CC=C(CCC=C(C)C)C[C@@H]1c1ccccc1 13410507 YYSABONYZSVCIV-FCHUYYIVSA-N 406.522 6.156 0 1 HKAF biogenic CN1[C@H]2CC[C@@H]1CC(CCOC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 13487734 CQSAXCBVCGNIIQ-WKRVNPTQSA-N 404.381 6.362 0 1 HKAF O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1Cl 13757939 QUQHQJDHXYDFHI-UHFFFAOYSA-N 404.897 5.575 0 1 HKAF Cc1cc(C)cc(-c2c(OC[C@@H]3CCCN(C)C3)c3cc(Cl)ccc3[nH]c2=O)c1 26578532 GDQCFNBHLMLAFR-QGZVFWFLSA-N 410.945 5.186 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CCN[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@H]1CC3 27990541 FXYWZSZQPOXFIV-HFMSIGDNSA-N 415.706 6.875 0 1 HKAF CC(=O)N1c2ccccc2S[C@H]1c1ccccc1OCCCN(C)C1CCCCC1 28009889 XBIKZDSHFQGUMQ-VWLOTQADSA-N 424.610 5.877 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 38844967 QZTNWQQTEVRSMC-JECVZSANSA-N 416.690 6.606 0 1 HKAF CC(C)C(=O)Oc1cc2c(c(OC(=O)C(C)C)c1)C(=O)O[C@H](C)CCCCCCC2 66112197 DFJVCLORWKGFLX-QGZVFWFLSA-N 418.530 5.251 0 1 HKAF Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1[C@H](c1ccccc1)c1c(O)ccc2ccccc12 72120504 QAJJGOSSCPJFFJ-VWLOTQADSA-N 424.475 5.652 0 1 HKAF COc1cccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccc(F)cc2F)c1 82055637 PMTWFEDVDXSLAP-JOCHJYFZSA-N 424.447 5.420 0 1 HKAF O[C@H](c1ccc(F)c(Cl)c1)c1nnc(Nc2cc(C(F)(F)F)ccc2F)s1 82079055 MANANTGWUPKWKQ-CYBMUJFWSA-N 421.778 5.314 0 1 HKAF Cc1cccc(-c2nc(NCc3ccccc3C(F)(F)F)ncc2-c2ncc(C)o2)c1 82167336 MIAKMIRECIRWOF-UHFFFAOYSA-N 424.426 6.046 0 1 HKAF COCCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2F)n1 82175124 ZWORSGRKDOGBCB-UHFFFAOYSA-N 420.513 5.522 0 1 HKAF CCCCCn1c(-c2ccc(OC)cc2)nc2c(NCc3ccccc3)ncnc21 82178233 HWCFJACOVBWRKQ-UHFFFAOYSA-N 401.514 5.304 0 1 HKAF C=C(c1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1-c1ccc(Cl)cc1 95594725 XZYRIXMOZLMPDD-UHFFFAOYSA-N 410.897 6.103 0 1 HKAF OC1=C2C(=Nc3nc(SCc4ccccc4)nc(O)c3[C@@H]2c2ccncc2)CCC1 100638141 ZBIBSAIMAGWEPG-GOSISDBHSA-N 416.506 5.084 0 1 HKAF CC[C@](O)(c1ccc(-c2ccccc2)cc1)c1cc2cc(-c3ccccc3)ccc2o1 103180700 LTWFIBRVPYAIDL-LJAQVGFWSA-N 404.509 7.413 0 1 HKAF CCOc1ccccc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OCc1ccccc1 103544358 BDTSWKQLHVNTPX-DEOSSOPVSA-N 417.505 5.637 0 1 HKAF Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N3)cc1 103888476 DWGVBHNMCRARFG-FQEVSTJZSA-N 401.485 6.374 0 1 HKAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(C)s2)C2=C(O)CC(C)(C)CC2=N1 104083950 RUTHFYBQRWAUQY-BTYIYWSLSA-N 415.555 5.223 0 1 HKAF CC[C@@H](C)NC(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F 105179183 ZCUHJOCIFKATHC-VFKUPZNOSA-N 424.564 5.294 0 1 HKAF C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 137436042 CPSHPTCUXNWYJT-JHYJMQNKSA-N 424.713 7.945 0 1 HKAF COc1ccccc1-c1csc2ncnc(N3[C@H]4CC[C@H]3CC(NC3CCC3)C4)c12 146454291 GLFHPMCOAMYVDZ-ROUUACIJSA-N 420.582 5.009 0 1 HKAF CC(C)(C)OC(=O)N1CCC(c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)CC1 166941990 OTKFBQFTAUHAGH-UHFFFAOYSA-N 421.541 5.349 0 1 HKAF CCCCN(CCCC)C[C@@H](O)c1cc2ccsc2c2cc(C(F)(F)F)ccc12 169336075 RKIQEBAQZOIXNY-OAQYLSRUSA-N 423.544 7.009 0 1 HKAF Cc1[nH]c2ccccc2c(=O)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)nc1 169345136 XMWCNTQKONHTBC-UHFFFAOYSA-N 412.367 5.589 0 1 HKAF C[C@H]1CC[C@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]43C)[C@H]2C)[C@@H]1C 169639538 STBQSLVECPYIEP-SWTBBYKOSA-N 412.746 9.134 0 1 HKAF Cc1ccc(Cc2cccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)c2)cc1 216051774 RZZNVAWEEKGGBY-UHFFFAOYSA-N 402.925 5.693 0 1 HKAF CC1CCC(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)CC1 224870618 JHZCRMBSMXIHFD-UHFFFAOYSA-N 404.432 5.723 0 1 HKAF CC[C@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 255255781 OQMZNAMGEHIHNN-JLGAVNDFSA-N 410.686 7.721 0 1 HKAF COc1cccc(N2[C@@H](c3ccccc3)[C@@]23C(c2ccccc2)=Nc2ccccc23)c1 299847015 CUUBHGGFAQBGRZ-VXLAJHQFSA-N 402.497 6.286 0 1 HKAF CC(C)C[C@H](N)CN(C(=O)[C@H](C)Cc1ccccc1)c1ccc(-c2ccccc2)cc1 299860014 GGNGUISEUVORTR-GJZUVCINSA-N 414.593 5.939 0 1 HKAF COC(=O)c1cc(Br)c2[nH]c(-c3cccc(-c4ccc(O)cc4)c3)nc2c1 586899448 XGNOYRBHSZHGNJ-UHFFFAOYSA-N 423.266 5.152 0 1 HKAF CSc1sc(-c2nc3cc(C)c(F)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586920548 UDQQIGRHFBZGLF-UHFFFAOYSA-N 418.968 5.296 0 1 HKAF CC(C)(C)c1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2n1 586965950 ALCFEQJXZYPPTA-UHFFFAOYSA-N 418.570 5.065 0 1 HKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 586982332 KDFVOLSKGKNTSL-ZDUSSCGKSA-N 413.319 5.280 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(F)c(F)c(F)c3[nH]1)N2 587032343 SWJOLYZYAUIQOE-ITXLNXHTSA-N 424.473 5.107 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cccc(C(C)(C)C)c2[nH]1 587035444 UJUGLSUTFUPMDO-GOSISDBHSA-N 405.567 6.346 0 1 HKAF FC(F)(F)c1ccc(-c2nc3cncc(Br)c3[nH]2)c(C(F)(F)F)c1 587094776 GXQCGKIRXSYOJQ-UHFFFAOYSA-N 410.115 5.425 0 1 HKAF Fc1cccc([C@H]2C[C@@H]2c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1F 587152479 OJOPHLXEWBVRDS-BDAKNGLRSA-N 417.175 5.894 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(Cl)c1 587159899 XVTKJPRAGIGCOP-IBGZPJMESA-N 423.221 6.455 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587189269 AUHQONBOOBVORM-KRWDZBQOSA-N 407.848 5.451 0 1 HKAF Nc1ccc2oc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)cc2c1 587251903 ODNNGTYOQNDYEK-UHFFFAOYSA-N 412.165 5.219 0 1 HKAF C[C@@]1(c2c[nH]c3nccc(Cl)c23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329422 MDKFMCGNBWEDSP-OFNKIYASSA-N 422.843 5.335 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2N2CCCCCC2)[C@H]1c1ccc(F)cc1 587347913 VRFUPAPRJPMKEH-USZFVNFHSA-N 423.528 5.448 0 1 HKAF Cc1nc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2o1 587348299 RFIGHHCQBCVDCG-ZJSXRUAMSA-N 403.409 5.255 0 1 HKAF CC(C)(C)[C@@]1(CC2CCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357505 UTNMVDUWELBMQM-OZXSUGGESA-N 410.529 6.646 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCSc1ccccc1)(c1ccc(F)cc1)O2 587385616 UIJAZBPGXQAUIB-XMMPIXPASA-N 407.510 5.759 0 1 HKAF CC(=O)N(c1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1)c1cccc(C)c1C 587411575 DOGANNQRJFUALQ-NRFANRHFSA-N 421.522 5.042 0 1 HKAF COc1ccc(Oc2ccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1 587440262 BOPAOMDCCBKLSK-BWKNWUBXSA-N 402.446 5.159 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(Cl)c(Cl)c4)s1)[C@@H](C2)C3=O 587450353 JPILPKBUHHYEHM-YEJXKQKISA-N 417.313 6.219 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3cccc(Cl)c3)cc1)CC2=O 587459532 FBRCAYIJLYRFPX-DEOSSOPVSA-N 422.908 6.284 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1cc(Cl)cc(Cl)c1)CC2=O 587461516 KMZCRNVCKFOGON-OAQYLSRUSA-N 416.304 6.149 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(F)(F)F)cc3)o1)CC2=O 587464660 VKRCHMWKEKLQFW-NRFANRHFSA-N 416.395 6.330 0 1 HKAF O=C1C[C@H](c2ccc(OCc3ccccc3)c(Cl)n2)Oc2c1ccc1c2CCCC1 587502139 TYEHYNNZHKLAHZ-HSZRJFAPSA-N 419.908 5.899 0 1 HKAF Cc1nc(-c2ccc(F)cc2)sc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587504457 HHMPVYZEHVVLFD-DEOSSOPVSA-N 407.510 6.017 0 1 HKAF O=C1C[C@@]2(CC(=O)N(c3ccccc3)c3ccccc32)Oc2c1ccc1c2CCCC1 587518293 FDHCVGJASRLSSV-MHZLTWQESA-N 409.485 5.495 0 1 HKAF CCCCCCC(=O)Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587523906 MCJXHXIACKKMIQ-XMMPIXPASA-N 406.522 6.148 0 1 HKAF O=C1C[C@]2(C[C@@H](c3ccccc3)Oc3ccc(O)cc32)Oc2c1ccc1c2CCCC1 587535116 IQRAKSWGIPVYRT-AHKZPQOWSA-N 412.485 5.656 0 1 HKAF CCCC[C@H](CC)CCc1nc2nc(O)nc(O)c2cc1C[C@@H](CC)CCCC 587561868 VTMIJHMXWLJLNF-ROUUACIJSA-N 401.595 6.344 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCSc1ccc(Cl)cc12 587618124 MWVKYSLGJJPEPU-NZQKXSOJSA-N 424.905 5.789 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)c3cccc(Br)c3)c(C(F)(F)F)[nH]c12 587624612 PRWLJHQICMYEDC-UHFFFAOYSA-N 416.624 6.142 0 1 HKAF CCOC(=O)Cc1c(-c2cccnc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628436 SQXZXRUGLUXJQH-UHFFFAOYSA-N 416.321 5.373 0 1 HKAF Cc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587675583 AFSXBFMADSXUJW-BTDLBPIBSA-N 413.128 5.283 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cccc(Cl)c2)N1 587705823 ZNLVOLFBYDKZLB-ODXCJYRJSA-N 419.725 5.656 0 1 HKAF Cc1c(Br)ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587783856 HNGLLKFPFBIRPL-ZROIWOOFSA-N 419.322 6.383 0 1 HKAF COc1ccc2c(c1)C(C)(C)C[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587809885 RKXXIWCNZGHNQE-GTJPDFRWSA-N 404.323 5.056 0 1 HKAF Cc1cccc([C@@H]2CC(=O)C[C@]3(C2)N[C@@H](C)Cc2cc(Br)c(F)cc23)c1 587816843 DZIVVPUBJKYNJA-ORHBMQHOSA-N 416.334 5.163 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C=C(c2ccccc2)c2ccccc2)N1 587822023 ZHEHCSBRAOFCAC-OPAMFIHVSA-N 422.341 6.295 0 1 HKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587953558 NQRHJTGEQKIBNS-INIZCTEOSA-N 421.525 7.133 0 1 HKAF Cc1nc(-c2cc3ccccc3o2)sc1COc1ccc2c(c1)OC[C@@H]2CC(=O)O 653737543 CHSJVOXJIQLYFT-HNNXBMFYSA-N 421.474 5.394 0 1 HKAF Fc1ccccc1[C@]1(Cc2ccccc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962693794 DGSQJFAHYDEBEI-FNZWTVRRSA-N 421.556 5.815 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccccc2C(F)(F)F)(C(C)(C)C)N1 962963979 XKPLNBDJRYXAMP-WNSKOXEYSA-N 400.488 6.401 0 1 HKAF CC(C)[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)NCCc1c(Cl)cc(Cl)cc12 963114176 XDVAHTZKRZHNJI-NQIIRXRSSA-N 413.389 5.390 0 1 HKAF C[C@@]1(c2ccc(F)c(F)c2Br)NCCc2c(Cl)cc(Cl)cc21 963125078 SCOJUIXUBDBOOT-INIZCTEOSA-N 407.085 5.443 0 1 HKAF O=S(=O)(CCC1CCCCC1)Nc1ccc2c(ccn2Cc2ccc(F)cc2)c1 1857574668 WFKAYKYKCSUIKH-UHFFFAOYSA-N 414.546 5.541 0 1 HKAF CC(C)=CCC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@]35CC[C@]12C 2356614252 NAJCQAAOHKVCES-CZMOZJQASA-N 424.713 8.377 0 1 HKAF COc1ccc(-c2coc3c(C(=O)NCc4cccc(Cl)c4)cccc23)c(C)c1 61896609 UFHDVGICXINEFA-UHFFFAOYSA-N 405.881 6.000 0 3 HKAF COc1ccc(OC(F)(F)F)cc1C[C@@]1(C)C(=O)Nc2c(Cl)ccc(Cl)c21 61903027 CEMYGNYUEYWSJG-QGZVFWFLSA-N 420.214 5.353 0 3 HKAF COc1ccc(CN2C(=O)[C@@H](n3ccc4ccccc43)c3cc(Cl)ccc32)cc1 206027328 GXZOFEPUONSIDU-QHCPKHFHSA-N 402.881 5.440 0 3 HKAF CCOc1cccc(-c2onc(-c3ccccc3Cl)c2C(=O)NC2CCCC2)c1 774586 MPUUHQFJPFVQLT-UHFFFAOYSA-N 410.901 5.733 0 1 HKAF O=C(NC1CCCCC1)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)cc1F 2478343 AYQGMPNGWGJFEJ-UHFFFAOYSA-N 416.855 6.003 0 1 HKAF CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214627 BZCDRGDJCUQWJB-RVFVQDDPSA-N 422.569 5.273 0 1 HKAF CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 13298391 MKGZDUKUQPPHFM-RFMWNBJQSA-N 410.686 8.009 0 1 HKAF CCCO[C@]1(Cc2ccccc2)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 13671527 MKCYOXUBJNGTKG-LFVWDKJPSA-N 422.653 7.006 0 1 HKAF CCN(c1nc(C)cc(Cl)n1)c1ccc(C(C)C)cc1I 13794692 QJRSSLRLXNELDQ-UHFFFAOYSA-N 415.706 5.324 0 1 HKAF O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1cc(-c2ccccc2)nc2ccccc12 13795638 ZSLSSZDNNDSSEF-QFIPXVFZSA-N 406.407 5.935 0 1 HKAF CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2CCN(CC3CC3)C[C@H]2C)cc1 13862303 IUJRGVLXTDRYRT-QFQXNSOFSA-N 419.613 5.427 0 1 HKAF COc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccccc2OC)cc1 27196056 DWPOXFCHZXSRIA-RCZVLFRGSA-N 401.506 5.431 0 1 HKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CCc3ccccc3)C[C@H]21 27632058 RAMGIFKJVFUZMX-BJKOFHAPSA-N 404.594 7.349 0 1 HKAF Fc1ccc([C@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)cc1 28885700 YLNCHDUZZUUTSH-CLJLJLNGSA-N 408.561 5.363 0 1 HKAF CC1=C(/C=C\C2=CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@H](O)C[C@H]1O 33953894 DOIZGAFWGREMOD-BJGFKTPISA-N 416.646 5.705 0 1 HKAF COc1ccc([C@@H](NC(=O)C(F)(F)F)[C@H]2CCCC=C2c2ccccc2)cc1OC 36381924 QJWPGXZNJDKHIZ-GHTZIAJQSA-N 419.443 5.307 0 1 HKAF Brc1ccc(C2=C(c3cc(-c4ccccc4)no3)[C@H]3CC[C@@H](C2)S3)cc1 66111697 HWUDNPRGWFSDEO-LAUBAEHRSA-N 424.363 6.683 0 1 HKAF COc1ccc(-c2ccccc2)cc1NC(=O)NC(C)(C(F)(F)F)C(F)(F)F 68573373 PYLBDHDILWOWTJ-UHFFFAOYSA-N 406.326 5.367 0 1 HKAF biogenic CCC(CC)(CNC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(F)cc1 72114666 HAGSKZWUFNVNFJ-UHFFFAOYSA-N 414.540 5.051 0 1 HKAF CCCCCc1nc(-c2cnc(N3CCCCC3)nc2-c2cccc(C)c2)oc1C 82173314 CMAKIXCJGWJVOQ-UHFFFAOYSA-N 404.558 6.138 0 1 HKAF CCCn1c(-c2ccc(O)cc2F)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1 95578081 CNZKBSAJCJTNDZ-UHFFFAOYSA-N 403.453 6.155 0 1 HKAF CC[C@H](c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)C(=O)Nc1nccs1 96283971 BGWJZJUIEGLDRD-LJQANCHMSA-N 422.529 5.780 0 1 HKAF Fc1cccc(CNc2cccc(-c3cc(N[C@H]4CC=CCC4)ncc3Cl)n2)c1 115456995 IAIDPHCIWLYXLM-SFHVURJKSA-N 408.908 6.069 0 1 HKAF CC(C)C1=CC[C@]2(C)[C@@H](O)CC[C@H]3[C@](C)(Cc4c[nH]c5ccccc45)[C@@H](C)CC[C@]132 136138942 LAHNOUCHTJTZRF-HCCSKZQKSA-N 405.626 6.896 0 1 HKAF C[C@@H](NCCCCCO)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 148209913 CSKOFFIAJSYKGK-JOCHJYFZSA-N 419.565 5.658 0 1 HKAF Cc1nc(-c2cccc(CN3C(=O)CC[C@H]3c3ccccc3-c3ccccc3)c2)cs1 166326397 AEGWGVROKVYKOO-SANMLTNESA-N 424.569 6.649 0 1 HKAF O=C(Nc1cc(-c2c(-c3ccc(F)cc3)nc3n2CCS3)ccn1)c1ccccc1 169331085 FZBQXEKSYVEEDI-UHFFFAOYSA-N 416.481 5.109 0 1 HKAF CCO[P@@](=O)(CC)Oc1cc(Nc2cc(-c3cccc(N)c3)ncn2)ccc1C 169342847 SCHBPDAYSDOLDG-LJAQVGFWSA-N 412.430 5.406 0 1 HKAF c1ccc(C2=NN=C(c3ccccn3)[C@H]3[C@H]2[C@H]2C[C@@H]3[C@H]3[C@@H]4C[C@H](c5ccccc54)[C@@H]23)nc1 195254014 QAEQEAQDVFBXJR-WWESEIQPSA-N 416.528 5.083 0 1 HKAF CC(C)Oc1cccc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 204154169 OLEBYGFFTQTCQL-UHFFFAOYSA-N 413.525 5.366 0 1 HKAF Cc1sc(-c2ccc(C(=O)O)cc2)nc1-c1ccc2c(c1)C(C)(C)CCC2(C)C 205773671 YRZNHBLQJUPPIB-UHFFFAOYSA-N 405.563 6.833 0 1 HKAF C[C@H](CCC(=N)N)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 253693253 WBHVVSCLCCZPGX-NKHSGGEGSA-N 414.678 6.449 0 1 HKAF CC(C)[C@@H](C)[C@H](C)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@@H]4[C@H]3CC[C@@]21C 255202741 CMXHVJSZSBTYDB-UFMOXACDSA-N 402.707 7.571 0 1 HKAF COc1ccc2c(C)c(CCc3nc4cc(Cl)c(Cl)cc4[nH]3)c(=O)oc2c1C 586918690 QPNOLAXAIFSCKO-UHFFFAOYSA-N 417.292 5.387 0 1 HKAF Cc1nc2ccc(O)c3c2c(c1Cc1ccc(C(F)(F)F)cc1)-c1ccccc1C3=O 586986977 RSPKFQRPAGQABF-UHFFFAOYSA-N 419.402 6.070 0 1 HKAF Clc1c(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)ccnc1Br 587005169 AKBLVPRCVDREHO-UHFFFAOYSA-N 414.690 5.620 0 1 HKAF CCCCCOc1cc2nc(Cc3sc(C)nc3C)[nH]c2cc1Br 587012165 PGHKJOLQWLCOPV-UHFFFAOYSA-N 408.365 5.559 0 1 HKAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc(F)c(Br)c3[nH]2)c1 587051711 UICVIWULDAMHMB-UHFFFAOYSA-N 410.674 5.379 0 1 HKAF COc1cccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c(Cl)c2)c1 587052394 RMVHXULXJWPUCQ-UHFFFAOYSA-N 414.795 5.880 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1c(Br)cc(F)cc1C3 587104925 XGHYGRFJNLPRPX-UHFFFAOYSA-N 416.249 5.919 0 1 HKAF COC(=O)c1cc2nc(-c3cc(S)ccc3F)[nH]c2c(F)c1Nc1ccccc1 587140744 KGQHYSRHNKGFLU-UHFFFAOYSA-N 411.433 5.327 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c(Cl)c2)cc1F 587145785 QQHZUMWTYRKSKC-UHFFFAOYSA-N 406.770 5.758 0 1 HKAF CC[C@]1(c2ccc(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352913 POGWSFSIZNTJNB-UKILVPOCSA-N 422.452 5.213 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](Cn2cncn2)CCC3)c1 587363853 PKPOLCAGLWNIQU-QGZVFWFLSA-N 410.477 5.368 0 1 HKAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1OCc1ccccc1 587375248 KOROMMPNRJWKOM-OAQYLSRUSA-N 423.896 5.525 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C\CC[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587403623 PDXHZSJMBAGZPA-KNDRQMCUSA-N 409.614 7.501 0 1 HKAF CCOc1cc(Br)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587504342 RMCXSQUKGYYOIC-GOSISDBHSA-N 417.299 5.139 0 1 HKAF Cc1cc(CN2CCC(C)CC2)c(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587512957 GZKVHDMPBDPUHE-HHHXNRCGSA-N 417.593 6.121 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1ccccc1-c1ccccc12 587603634 OKWPXOCEKOCMON-WNCULLNHSA-N 420.420 5.113 0 1 HKAF CSc1ccc([C@]2(C(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587609873 ALQDZNPRVBRSDZ-URXFXBBRSA-N 406.503 5.627 0 1 HKAF CCOC(=O)C(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2ccc([C@@H](C)CC)cc12 587640721 ITXHRELMWZLMIE-ZDUSSCGKSA-N 417.427 6.113 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)[nH]c3ccccc23)N1 587704562 JJOZIMJFHKCEJB-GIGQVBGESA-N 407.714 5.521 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)c(F)c2)(C(F)(F)F)N1 587709140 IRBKNOMYXMCFSL-VPTHRUTESA-N 424.182 5.207 0 1 HKAF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C(F)(F)F)c1 587710089 FHGGUFJADKZMRT-XLFHBGCDSA-N 418.228 5.239 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cccc2C(F)(F)F)N1 587711494 KTCRGQZLOLUOFI-ZKANADHPSA-N 422.647 5.884 0 1 HKAF COc1ccc(C(F)(F)F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587712050 NEKFVUHGRQTSBK-XLFHBGCDSA-N 418.228 5.239 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(Cl)c2Cl)N1 587714706 BBCXPHKQQVGFKV-HYORBCNSSA-N 407.085 5.658 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2CCC(C(F)(F)F)CC2)N1 587718682 JLRAUACHDIEWLC-ZOCFFKTBSA-N 408.277 5.706 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(F)cc3F)o2)N1 587723693 BRNWQPWTSSDBEL-WVDJIFEKSA-N 422.244 5.750 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccccc3F)no2)N1 587728356 RWWFSODPPYJTGK-DGIBIBHMSA-N 405.242 5.006 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccc(F)cc12 587736769 WWCHCFNOPIVNTI-AMXDTQDGSA-N 412.277 5.534 0 1 HKAF CC(C)CCOc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587790036 DTMPPKKIGWHOHR-SZNDQCEHSA-N 406.339 5.637 0 1 HKAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC(C)C 587792365 KLCPBMVXDJKGFH-YEJXKQKISA-N 422.338 5.255 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3cccc4c3c2CC4)N1 587815534 NLVXCHCXYBTYOI-NPMABZOXSA-N 410.330 5.638 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cccc(C(C)(C)C)c4[nH]3)c(O)c2)cc1OC 587928064 XWJMNZIEWZKINR-UHFFFAOYSA-N 402.494 5.917 0 1 HKAF COc1ccc(/C=C/Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)c(OC)c1 587930838 WDIHUIGFGUNYSY-VOTSOKGWSA-N 402.519 5.987 0 1 HKAF Cc1cc(C)c2[nH]c(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)nc2c1 587948853 KKXZQTDJZCAARF-BVZALQNUSA-N 404.554 6.464 0 1 HKAF Cc1c(Br)cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1C 587955417 IWGPQWRUBHPOOF-IBGZPJMESA-N 405.339 6.317 0 1 HKAF C[C@H](CCNCC12CC3CC(CC(C3)C1)C2)N=c1c(F)c[nH]c2cc(Cl)ccc12 653714172 KIHGALWXDRTVFU-LJQCHSNASA-N 415.984 5.446 0 1 HKAF O=C(Nc1ccc(Oc2cc[nH]c3nccc2-3)c(F)c1)c1cc(-c2ccccc2)ccn1 653766294 HSGLIQFJCYGOMR-UHFFFAOYSA-N 424.435 5.760 0 1 HKAF COc1cc2c(cc1OC)[C@@H](c1nc3ccccc3n1CCC(C)C)N(C)[C@H](C)C2 962624863 LIOJJKHUKAGVFQ-OSPHWJPCSA-N 407.558 5.065 0 1 HKAF CC(C)[C@H](c1ccccc1)[C@]1(C)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962951223 FRLYASOZRGUULX-DHIUTWEWSA-N 417.515 6.012 0 1 HKAF CCOc1cc([C@@H]2c3ccsc3CCN2Cc2cccnc2)cc(Cl)c1OC 962993519 CBMRKBQUEAINCQ-OAQYLSRUSA-N 414.958 5.352 0 1 HKAF O=C(C[C@]1(c2ccc(Cl)s2)c2ccc(F)cc2C[C@H]2CCCN21)C(F)(F)F 963106547 KDIQRYVGZCDTML-FZKQIMNGSA-N 417.855 5.326 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCCCOC)c1ccc(C(F)(F)F)cc1 963245144 ZWLDUKCTDJYMRL-CYFREDJKSA-N 419.531 6.422 0 1 HKAF COc1ccc2c(c1)[C@@](C)(c1cccc3c1cnn3C)N(Cc1ccc(F)cc1)CC2 963305575 ZCWMARVMZFKOLR-AREMUKBSSA-N 415.512 5.043 0 1 HKAF CC(C)=CCC=C(C)[C@@H]1CC[C@@](C)(O)[C@@H]1Cc1c(O)c(Cl)c(C)c(C=O)c1O 2356324343 QIUWFFMCYFLNHN-XKDCRVNJSA-N 406.950 5.494 0 1 HKAF C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)C[C@@]12CC[C@@H](C)CN2 2356436123 BERPQBQZDVMCHH-HOWIHTEFSA-N 411.674 5.951 0 1 HKAF C[C@@H]1CC[C@]2(C)[C@H](C)CC[C@@H]3O[C@H]4C[C@]32[C@@H]1C1=C4C(C)(C)c2cccc3[nH]cc1c23 2356471621 SQICKNKEYQBAKG-HXEMHZAOSA-N 401.594 6.853 0 1 HKAF CCCCN(C(=O)CCC(C)C)[C@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 2356870082 XNDYYTZSGJWAKQ-DEOSSOPVSA-N 416.606 5.250 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CC/C(C)=C/C[n+]1cn(C)c2ncnc(N)c21 14415365 YCSGSEAQYPDNAQ-OQSFTRQDSA-N 422.641 5.363 0 3 HKAF in-vitro COc1ccc([C@@H](Cc2ccncc2)c2ccccc2OC)cc1OC1CCCC1 13441975 WHYKRAHUZQZGBB-HSZRJFAPSA-N 403.522 5.795 0 1 HKAF O=C(O)c1ccccc1OCCN1CCC(c2cn(CC3CC3)c3ccccc23)CC1 13586261 VBXUDFDAMGGOQA-UHFFFAOYSA-N 418.537 5.008 0 1 HKAF CCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC(CO)CO 13679541 ZFZHZEMVBQJUNT-GTIIYDKQSA-N 420.634 6.055 0 1 HKAF C/C(=C\CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COC(=O)/C(C)=C/C(=O)O)CO 14654647 OYLSINCAGYDFBO-SDWHTVMGSA-N 418.574 5.679 0 1 HKAF endogenous,in-man FC(F)(F)c1cccc(N2CCN(CCCCOc3ccc4c(c3)CCC4)CC2)c1 26502344 WKTKXGUCFLTNMI-UHFFFAOYSA-N 418.503 5.175 0 1 HKAF Oc1ccc2c(c1)O[C@@H](c1ccc(OCCN3CCCC3)cc1)C(c1ccccc1)=C2 26737505 CTVRBSHYWLYHGR-MHZLTWQESA-N 413.517 5.541 0 1 HKAF CN(C)c1ccc(/C=C2\C[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)C2=O)cc1 28568548 ZDWWQQXXGWLFMH-BOQHMYJNSA-N 401.550 5.577 0 1 HKAF in-vivo COc1ccc2cc1Oc1ccc(cc1)CCc1ccccc1-c1ccc(cc1)CC2 29124311 KPPHKUBDCAKMJR-UHFFFAOYSA-N 406.525 7.038 0 1 HKAF C[C@@H](c1ccccc1)[C@H](O)/C=C/[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCC(C)(C)C(=O)O 29463814 IXLKYYJMNDNNKA-JJXFNIGWSA-N 412.570 5.338 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)N[C@H](CC(C)C)C(=O)O)C(C)(C)CCC1 29570105 XILISIALPJYAMY-ITIOHUNPSA-N 413.602 6.134 0 1 HKAF CCN(CC)CCCN(CC)CCCCCCNc1ccnc2cc(Cl)ccc12 40791249 QIEAAVNSWRLIIK-UHFFFAOYSA-N 419.057 5.914 0 1 HKAF CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2c(/C=C/c3ccccc3)cccc21 62224821 FRYNIFVMXQRIQJ-DBQZHCBRSA-N 401.525 6.112 0 1 HKAF CN(Cc1ccccc1)Cc1ccc(CNc2ccnc3cc(Cl)ccc23)cc1 68201384 KRFAQKYUWVQMIX-UHFFFAOYSA-N 401.941 6.132 0 1 HKAF COc1ccc(Oc2ccc(N3C[C@@H](C(F)(F)F)C[C@H]3CC(=O)O)cc2)c(C)c1 68267373 QQODPVZSTBGMNP-HOCLYGCPSA-N 409.404 5.028 0 1 HKAF Cc1ccccc1-c1ccc2nc(N)c(C[C@H](C)C(=O)NCC3CCCCC3)cc2c1 72179166 MQOILMOKFLJWRN-IBGZPJMESA-N 415.581 5.668 0 1 HKAF O=C(O)/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)c(CO)c1 73390246 CZFOOWUKKOMRTD-QHHAFSJGSA-N 404.506 5.117 0 1 HKAF CCN(CC)C(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3C)c2cccc(OC)c2)cc1 100999264 ABBSYOBLSNKXQO-DNQXCXABSA-N 418.581 5.236 0 1 HKAF CC1=C(O)/C(=C/[C@@H](C)CC/C=C(/C)CCCc2coc(Cc3ccoc3)c2)OC1=O 105372510 YIWFEASCLZQHBJ-OTSOXRHMSA-N 410.510 6.421 0 1 HKAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccccc1C1CCCCC1 117581882 OTPDAAPXJWACIH-UHFFFAOYSA-N 407.558 5.245 0 1 HKAF CC1=CCC[C@@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)CC/C(C)=C/Cn1c[n+](C)c2c(N)ncnc21 169304444 NALGSOQQUZLOIK-FGTPADRVSA-N 422.641 5.363 0 1 HKAF CCN(Cc1ccccc1)C(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1 169347399 UKFZJLICQSZTAQ-UHFFFAOYSA-N 401.897 5.613 0 1 HKAF O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(CNC2CCCCC2)c1 205322871 TYUBNVSXZSHBQK-UHFFFAOYSA-N 409.961 5.216 0 1 HKAF COc1cccc(F)c1[C@H]1C[C@H](C)C(=O)N1Cc1ccc2oc3ccccc3c2c1 215902769 NZJJLLAOHLKKIZ-MGPUTAFESA-N 403.453 5.843 0 1 HKAF CC(C)=CCc1cc(-c2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2C)ccc1O 238777502 NMVIBPFXOBKTTL-UHFFFAOYSA-N 420.505 5.903 0 1 HKAF CC(C)=CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C 255242348 NAJCQAAOHKVCES-XGUHIEMNSA-N 424.713 8.377 0 1 HKAF Cc1sc2nc(CCCCCN3CCC(Cc4ccccc4)CC3)nc(O)c2c1C 299868705 SGQOVLUMNHAQHS-UHFFFAOYSA-N 423.626 5.681 0 1 HKAF CC[C@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N2CCC[C@H]3CCCC[C@H]32)n1 299887366 YSTJSTWIVGRPAL-SQGPQFPESA-N 411.550 5.042 0 1 HKAF O=C(O)/C=C\c1ccccc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586879010 IUGKHZQDWPCZAO-YVMONPNESA-N 411.177 5.109 0 1 HKAF CC(=O)n1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c2cc(C)cnc21 586986282 AAORUXDWYWZBKQ-UHFFFAOYSA-N 419.440 5.137 0 1 HKAF COC(=O)c1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2n1 587073195 GJRSRUDQIXCNOB-SDXDJHTJSA-N 417.896 5.571 0 1 HKAF Cc1ccc(-c2cc(-c3nc4ccc(Cl)c(C)c4[nH]3)c3cccc(Cl)c3n2)o1 587082237 JZXVNBIMSNEEKM-UHFFFAOYSA-N 408.288 6.962 0 1 HKAF COc1cc2c(cc1OC)-c1nc3c(C)ccc4c3c(c1CC2)-c1ccccc1C4=O 587098913 VVYOXSQRDJBSEX-UHFFFAOYSA-N 407.469 5.537 0 1 HKAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(F)c(Br)c2[nH]1 587201134 HAZPXAHRVJTYIW-UHFFFAOYSA-N 414.319 5.045 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCSc3ccc(F)cc32)[C@H]1c1ccc(F)cc1 587334177 LODOJUWXQLRKOU-JTHBVZDNSA-N 410.441 5.421 0 1 HKAF Cc1cc(F)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl 587338305 WPVUDKMNVQWZFZ-FYYLOGMGSA-N 414.835 5.907 0 1 HKAF COc1cccc(Cn2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c3ccccc32)c1 587391929 URTSMJKKMIRBLT-RUZDIDTESA-N 412.489 5.295 0 1 HKAF COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587437128 DGNPNZNZZKSKMO-NIYFSFCBSA-N 411.457 5.341 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccc(C)c(F)c3)cc1)CC2=O 587465149 BFORFVVHMMZUFT-SANMLTNESA-N 404.481 6.340 0 1 HKAF O=C1C[C@H](c2cnn(-c3ccc(C(F)(F)F)cc3)c2)Oc2c1ccc1c2CCCC1 587507713 NZYFAWOPNUOJSM-OAQYLSRUSA-N 412.411 5.476 0 1 HKAF O=C1C[C@@H](c2nc3c(s2)C[C@H](c2ccccc2)CC3)Oc2c1ccc1c2CCCC1 587535209 JGGMXVURFHOVGC-JPYJTQIMSA-N 415.558 6.001 0 1 HKAF O=C1C[C@@H](c2ccc(Br)c3nsnc23)Oc2c1ccc1c2CCCC1 587540003 ZFVYYPLBAISMOG-INIZCTEOSA-N 415.312 5.039 0 1 HKAF C[C@H](c1nc2ccccc2s1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616351 CBBGNJXQAAGCDT-UCWRBECXSA-N 417.486 5.526 0 1 HKAF O=Cc1cc(-c2[nH]c3cc(Cl)c(F)cc3c2N2CCC(C(F)(F)F)CC2)c[nH]1 587629830 JWXMQGZJQYHJDT-UHFFFAOYSA-N 413.802 5.547 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c([C@H](C)CC(=O)O)c2c1 587639211 PIQVJZPHOMRBAW-ZIAGYGMSSA-N 414.343 6.689 0 1 HKAF CCCc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cs1 587657637 BWNNKVNMWDGWJJ-UHFFFAOYSA-N 410.445 5.044 0 1 HKAF COc1c(F)cc(CC[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587722947 USKVDXZITRFRCK-QLJPJBMISA-N 414.265 5.083 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cccc(F)c2)N1 587728580 FKLSJSXWUAPGKC-MPBGBICISA-N 403.270 5.142 0 1 HKAF Cc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587757060 ULQJUCJFKOZXSA-IVZQSRNASA-N 413.334 5.619 0 1 HKAF Cc1ccc([C@@]2(c3cccnc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587773823 KABWPJVXLQEQHL-QRQCRPRQSA-N 411.318 5.118 0 1 HKAF C[C@@H](Cn1cncn1)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923120 PMSOBBXGDVVUHY-AWEZNQCLSA-N 403.486 5.493 0 1 HKAF COc1ccc(-c2cccc(-c3nc4c(Br)ccnc4[nH]3)c2C)c(OC)c1 587929025 KAESSYIJSVNDJR-UHFFFAOYSA-N 424.298 5.380 0 1 HKAF COc1cccc([C@@H](C)Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 587932014 RGLUQKSSCUWXJQ-JTQLQIEISA-N 413.237 5.699 0 1 HKAF COc1ccccc1CC[C@]1(c2ccc(C)c(C)c2)NCCc2c1sc(C)c2C 963010349 NKJOPXFBPLCMGU-AREMUKBSSA-N 405.607 6.012 0 1 HKAF C[C@]1(c2cc(-c3ccc(F)cc3)no2)c2ccsc2CCN1Cc1cccnc1 963011945 OXPULVLPHCTWCQ-HSZRJFAPSA-N 405.498 5.259 0 1 HKAF FC(F)(F)[C@]1(c2nc3ccccc3s2)NCCc2c(Cl)cc(Cl)cc21 963110488 PWGBEDFMOIFIJO-INIZCTEOSA-N 403.256 5.555 0 1 HKAF C[C@]1(c2cccc(-c3ccc(C(=O)O)cc3)c2)NCCc2c(Cl)cc(Cl)cc21 963122845 ORZDATWXWVQGGC-HSZRJFAPSA-N 412.316 5.768 0 1 HKAF Cc1ccc(OCc2ccc(-c3oc4ccccc4c3C(=O)NCC(C)C)cc2)cc1 1772629351 BFALFXUBGIYSMQ-UHFFFAOYSA-N 413.517 6.373 0 1 HKAF O=C(C[C@@H](c1cccc(Br)c1)c1c[nH]c2ccccc12)c1ccccc1 1857570672 UOBCWCFIVZCJQY-FQEVSTJZSA-N 404.307 6.335 0 1 HKAF CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)s2)C1=O 1857605240 ADWXTQXSROJWGO-ZROIWOOFSA-N 401.538 5.220 0 1 HKAF COC(=O)N1C(C=CC=Cc2ccc(OC)cc2)=Cc2ccccc2[C@@H]1CC(C)=O 1857622426 PSOQXJJOHWTUNT-DEOSSOPVSA-N 403.478 5.408 0 1 HKAF O=C(O)C[C@H]1COc2cc(OCCCOc3ccc(-c4ccccc4)cc3)ccc21 1857765198 AQCAZJIZBLVBHO-FQEVSTJZSA-N 404.462 5.152 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@@H](O)C=C1C[C@@H]3O 2356640881 UGHZEIVSHNQWEU-UFSDHCBUSA-N 412.658 6.446 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@]4(O)OC(=O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356721662 LJBNXGCIASRMAO-ULUDONCXSA-N 416.646 6.499 0 1 HKAF COc1c(/C=C/C(C)(C)O)cc([C@@H]2CC(=O)c3ccc(O)cc3O2)cc1CC=C(C)C 13485401 SRFNFECUBWLUHV-YSESTWPTSA-N 422.521 5.400 0 1 HKAF CC(C)n1cc2c3c(cccc31)C1=C[C@@H](COC(=O)C3CCCCC3)CN(C)[C@@H]1C2 13793944 UNMWHMQOVOIIOF-HOYKHHGWSA-N 406.570 5.215 0 1 HKAF CC(C)=CCc1cc(-c2coc3c(CC=C(C)C)c(O)cc(O)c3c2=O)c(O)cc1O 14727594 XCBXRERHUNKMDU-UHFFFAOYSA-N 422.477 5.300 0 1 HKAF biogenic Cc1cc2c(cc1O)CC[C@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)O2 14767686 PZZKGQBMBVYPGR-VHSZZVNMSA-N 402.663 8.223 0 1 HKAF endogenous,in-man COc1ccc(CO[C@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc1 27548198 ZMPIAJWCWPGMEU-IZLXSDGUSA-N 413.561 5.507 0 1 HKAF COc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccccn3)n2)cc1 28707531 BZPXACIPFALKGB-HXUWFJFHSA-N 418.547 5.631 0 1 HKAF C(=C1/CCC[C@H]2C1=NN(CCCN1CCOCC1)[C@@H]2c1ccccc1)\c1ccccc1 33955232 OQJLLWQBHIUEHH-KAIMMUQSSA-N 415.581 5.005 0 1 HKAF CN1CCC(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)=C[C@@H]1Cc1ccccc1 33970126 YWBVUKPOVHCDRT-VWLOTQADSA-N 423.535 6.213 0 1 HKAF CCCCOc1cc(OCCCC)c(C(=O)CC(C)C)c(O)c1C(=O)CC(C)C 40919153 WBTXXPHZUUTHNN-UHFFFAOYSA-N 406.563 6.208 0 1 HKAF CC(C)(F)CCc1cc(C(F)(F)F)ccc1CNC(=O)Nc1cccc2[nH]ncc12 49054809 OUZXVFKEKUTOBE-UHFFFAOYSA-N 422.426 5.584 0 1 HKAF CCCCOc1ccc(NC(=O)NCCNc2ccnc3cc(Cl)ccc23)cc1 58650678 BWTCWBLDADFKGN-UHFFFAOYSA-N 412.921 5.301 0 1 HKAF CCc1cnc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccccc2)s1 82162842 ZLFJORVJLVGXCY-UHFFFAOYSA-N 416.506 5.170 0 1 HKAF Fc1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2F)cc1Cl 85679254 XWVBCWHLYRKMLD-UHFFFAOYSA-N 409.867 6.142 0 1 HKAF COc1ccc(-c2cc3cc(/C=C\c4cc(OC)cc(OC)c4)ccc3oc2=O)cc1 103181242 CIULIGYDTHEAQI-PLNGDYQASA-N 414.457 5.656 0 1 HKAF Cc1nc2cc(N[C@@H](c3ccccc3Cl)c3c(C)[nH]c4ccccc34)ccc2s1 103244930 GCSKLLBVPVSKGW-DEOSSOPVSA-N 417.965 7.249 0 1 HKAF CC/C(=C(/c1ccc(/C=C/C(=O)O)c(OC)c1)c1ccc2[nH]ncc2c1)c1ccccc1 114545448 WHDLKJNDYWFBIX-UAWLBYJDSA-N 424.500 6.038 0 1 HKAF Cc1ccc([C@@H]2C(O)=C3Nc4ccccc4N3CN2c2c(C)cccc2C)c(N)c1C 169331820 UTIXGRGDYJIQDE-XMMPIXPASA-N 412.537 5.680 0 1 HKAF O[C@H](C[C@@H]1CCCCN1)c1cc(-c2ccccc2)nc2c(C(F)(F)F)cccc12 169333477 ZJTKQLQPEGHTAA-HRAATJIYSA-N 400.444 5.486 0 1 HKAF C[C@H](Oc1ccc2ncc(/C=C\C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl 210620778 OIOZTIQUNWLFQV-JNWMYZIBSA-N 405.256 5.319 0 1 HKAF C/C=C(\C)C(=O)O[C@H]1C[C@@H](C)[C@](C)(CC/C(C)=C/C(=O)OC)[C@H]2CCC=C(C)[C@]12C 238782653 GRAKDQZADDSMPS-OKUNRGMYSA-N 416.602 6.173 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@@H]3CC[C@]12C 253648979 YSWDCQJTPYALJE-NDBRUEDRSA-N 404.635 6.742 0 1 HKAF O=C(CC12CC3CC(CC(C3)C1)C2)N[C@H]1CC[C@H](OCc2c(F)cccc2F)CC1 253658948 CQQVNVUNYDRHDE-NAVSMOTLSA-N 417.540 5.515 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 255254593 OMKJDABLEGUPIE-XKPVXHCOSA-N 424.713 8.687 0 1 HKAF C/C=C(\CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 261497586 OSELKOCHBMDKEJ-YTDVGYCMSA-N 412.702 7.945 0 1 HKAF endogenous,in-man Oc1ccc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1 473155147 PKRLBSCDYBXIAH-UHFFFAOYSA-N 405.457 5.643 0 1 HKAF Cc1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1Br 587015983 MHKCGAJCPXETEP-UHFFFAOYSA-N 412.312 5.359 0 1 HKAF O=C(c1ccccc1)c1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587051367 SDLWPTWOONYZJG-JKSUJKDBSA-N 407.300 6.372 0 1 HKAF Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)nnn1-c1ccc(Cl)cc1 587103719 KBXATTRBZYJAGM-UHFFFAOYSA-N 422.875 5.656 0 1 HKAF CCOC(=O)Cc1nc2cccc3c2c(c1Cc1ccccc1)-c1ccccc1C3=O 587105928 HGBBKGBXPSCDLC-UHFFFAOYSA-N 407.469 5.143 0 1 HKAF Fc1cc(Br)c(Cl)cc1-c1nc2cc(Br)cc(F)c2[nH]1 587137075 ROGCJXNOCVORIG-UHFFFAOYSA-N 422.454 5.687 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1F 587151603 RZFVLGNWUNPZCS-QFIPXVFZSA-N 420.394 5.334 0 1 HKAF CC(C)[C@H](c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)N(C)C(=O)OC(C)(C)C 587198330 YSCHIUKRJRFBKP-CQSZACIVSA-N 405.848 5.799 0 1 HKAF C[C@@]1(C2CCC(C(F)(F)F)CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326573 CIHGSGADOPEGML-FVZYHINPSA-N 422.418 6.018 0 1 HKAF C[C@@]1(Cc2ccc(F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336207 PRAMKGZSTGBZRJ-GGAORHGYSA-N 414.835 5.684 0 1 HKAF C[C@@]1(c2ccc3c(c2)CCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351791 HFPMALSJXNQVMR-AHWVRZQESA-N 402.465 5.684 0 1 HKAF CC(C)c1ccc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587357912 WPICCTCLOLOVQS-RSXGOPAZSA-N 404.481 6.015 0 1 HKAF CCOC(=O)[C@@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)[C@H](C)C1 587362605 KKURYFWPWRCASU-WBVHZDCISA-N 415.489 5.886 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1nc3cc(C(F)(F)F)ccc3n1C)CC2=O 587464744 XFEOPAIPKXJPHB-NRFANRHFSA-N 418.415 5.131 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3ccsc3C(C)=O)c1)CC2=O 587493425 HDCKLLYUTHBYLE-QFIPXVFZSA-N 406.503 5.982 0 1 HKAF COc1ccc(Br)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587495527 CTCYUNCTEHLCBL-NRFANRHFSA-N 401.300 5.217 0 1 HKAF Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1-c1cccc(Cl)c1 587498666 FNIVALRNNPTGRF-XMMPIXPASA-N 406.913 5.594 0 1 HKAF Cc1ccc(-n2nc(C)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2Cl)c(C)c1 587499898 NWKWHUVACUYCKE-QFIPXVFZSA-N 420.940 6.036 0 1 HKAF C[C@@H]1CCCN(c2ccc(N)c([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)C1 587513818 LGFMFPDEHHAFND-WGDIFIGCSA-N 404.554 5.265 0 1 HKAF COc1cc(C(F)(F)F)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542572 AAICDHWDBBDOMZ-RXVVDRJESA-N 416.351 5.123 0 1 HKAF C[C@@H](C[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1cn(C)c2ccccc12 587580407 XRGOOVNEFJHNBX-GHEQTVGYSA-N 413.473 5.408 0 1 HKAF Cc1cccc([C@@]2(c3ccccn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587588229 PTPRLGRBGIFEHH-OZXSUGGESA-N 409.441 5.001 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccccc2)o1 587618548 UQHJSCNDISNUBA-RCZVLFRGSA-N 414.413 5.267 0 1 HKAF CCOC(=O)Cc1c(-c2ccccc2Br)[nH]c2c(C)cc(Cl)cc12 587623828 QVYDTJUGLHBPOC-UHFFFAOYSA-N 406.707 5.665 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3Cl)c(C(=O)C(=O)OC)c2c1 587639824 DEJCFHMKRWRAHN-NSHDSACASA-N 404.293 6.011 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]2c2ccc(Cl)cc2)N1 587694618 HLLVCWOWVQVJMH-ADYAMRHXSA-N 408.742 5.939 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(C(F)(F)F)cc2Cl)N1 587716473 VNRXAHWQYSHBOO-NZFNHWASSA-N 423.635 5.279 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cc(F)c(Cl)c2F)N1 587720809 OERPEHHREVOZPH-ADNUTGFCSA-N 408.620 5.283 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3)c(F)c2)N1 587724543 IXQATULCGNBFLA-XMHCIUCPSA-N 414.293 6.018 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccc(F)cc2)N1 587737459 XSNRFXXWZHTYKO-XMHCIUCPSA-N 414.293 6.018 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(C3CCCCC3)nc2)N1 587774332 MNOOBHSAAGQMMQ-BLVKFPJESA-N 404.327 5.050 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(C3CCCCC3)nc2)N1 587774334 MNOOBHSAAGQMMQ-CWTRNNRKSA-N 404.327 5.050 0 1 HKAF CC(C)=CCC/C(C)=C/C=C\[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587815546 NOKRVVAWDNOTSJ-GEMDZPBOSA-N 406.383 6.587 0 1 HKAF Cc1ccc([C@]2(c3ccco3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587825533 AMSZCPKOVBLEEN-NYHFZMIOSA-N 414.318 5.624 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncccc1Br 587857964 WNWOGXQEIURTME-UHFFFAOYSA-N 413.102 5.402 0 1 HKAF CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3ccnc(Br)c3)c2C1 587940326 OCUDKYHZYQAQAR-UHFFFAOYSA-N 413.290 5.596 0 1 HKAF Cc1ccc(C)c(Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 587959819 WKPKMURAWRDKSY-UHFFFAOYSA-N 421.338 6.112 0 1 HKAF CC[C@@]1(c2cccc(F)c2C)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961789762 VWJZFGFDBGTVGO-AREMUKBSSA-N 424.560 5.939 0 1 HKAF Cc1c(F)ccc2c1[C@](C)(c1ccccc1-c1ccc(C(=O)O)c(Cl)c1)NCC2 962380183 WSEYIQTYFZRJRC-DEOSSOPVSA-N 409.888 5.562 0 1 HKAF CC1(C)c2ccccc2C2(NCCc3cccc(-c4ccccc4)c32)c2ccccc21 962667898 MQDQHIJAOGZVJN-UHFFFAOYSA-N 401.553 6.431 0 1 HKAF COc1ccccc1[C@@]1(CCc2cc(C)cc(C)c2)c2ccsc2CCN1C(N)=O 962707988 JDOKHJHESFVBCQ-VWLOTQADSA-N 420.578 5.187 0 1 HKAF FC(F)(F)c1cccc2c1[C@@H](c1cc3cc(Cl)ccc3[nH]1)NCC21CCOCC1 962961049 SDFABJXWHLVIAA-HXUWFJFHSA-N 420.862 5.581 0 1 HKAF c1cncc(CN2CCc3sccc3[C@]23CC2(CCCCC2)Cc2ccccc23)c1 963014343 RZXWDDCUZXMJRB-HHHXNRCGSA-N 414.618 6.342 0 1 HKAF CC[C@@H](C)Oc1c(OC)cccc1[C@@H]1c2cccc(Br)c2CCN1C 963278564 BQVLARMBZYAAJE-VLIAUNLRSA-N 404.348 5.212 0 1 HKAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1ccc(C)cc1)c1cc(F)cc(F)c1 963639609 VXSXBYWQWNFILZ-CPJLOUKISA-N 409.476 5.117 0 1 HKAF COc1ccc(Cl)cc1-c1cccc([C@H](CC(=O)O)c2nc(C)c(C)s2)c1 1772615332 PQQQPMAQRRRTBF-SFHVURJKSA-N 401.915 5.696 0 1 HKAF CCCCCNC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1 1857541262 UNQCIKURXWDTGX-UHFFFAOYSA-N 402.538 5.972 0 1 HKAF Brc1ccc(/C=C(/Cn2ccnn2)c2ccc(Br)cc2)cc1 1857555059 QMYCFUVDQQINKF-PTNGSMBKSA-N 419.120 5.044 0 1 HKAF CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](c3ccccc3)Nc3c(ccc4c3CCCC4)[C@@H]21 1857585335 QAABQLLOOCAASJ-GZGNHOFSSA-N 418.581 6.420 0 1 HKAF CC(C)[C@@H](NC(=O)OCc1ccccc1)[P@@](=O)(Oc1ccccc1)c1ccccc1 1911576242 FFVKAAHBWCXWEV-JHOBJCJYSA-N 423.449 5.578 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@]12C 2356430135 HPKNCAAZGBOERA-MUPNOLHXSA-N 410.730 9.985 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)C[C@H](O)[C@@]4(C)C3=CC[C@@]12C 2356634188 AZXDOKXVRMMDJJ-XLYRZBIHSA-N 414.674 6.526 0 1 HKAF CC1=C[C@H](CNC2=CC=C[CH]N2)[C@H](C(C)C)C[C@@H]1Cc1nnc(-c2ccc(C)cc2)o1 2356860433 YNDJJKDMZMZWJK-ZLNRFVROSA-N 417.577 5.194 0 1 HKAF COc1c2c(c3c(c1OC)CCN(CC(c1ccccc1)c1ccccc1)C3)CCC2 1567208 ZMGIOYIMUHRSNR-UHFFFAOYSA-N 413.561 5.383 0 1 HKAF O=C(O)c1ccc(OCc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1 1857761 BLQPLDUJPUDTFQ-UHFFFAOYSA-N 424.378 5.593 0 1 HKAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](COc3ccc4ccc(=O)oc4c3)C(C)=CC[C@@H]2C1(C)C 4040059 XZODJQWDEJBNRO-DNRBGDKYSA-N 424.537 5.512 0 1 HKAF O=C(CN1C(=O)C[C@@H](c2ccccc2)Sc2ccccc21)Nc1ccccc1F 4162767 GEINWNDNDRNSFQ-NRFANRHFSA-N 406.482 5.035 0 1 HKAF CN(CCCOc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)CCC(=O)O 13475300 WXPJULBDMSVCLI-UHFFFAOYSA-N 405.494 5.321 0 1 HKAF CC(=O)N(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@H]32)C1 13587857 WDKKOVABYKVZIW-VCJWWASDSA-N 402.667 5.442 0 1 HKAF biogenic CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(OC(=O)CC)cc1C 13742190 CTLPVZHOPNNJDT-UHFFFAOYSA-N 406.482 5.594 0 1 HKAF CC(C)CCCCCCCCCCCCCc1cc(O)cc(OS(=O)(=O)O)c1 14592804 QIKYQFQDLSAWJN-UHFFFAOYSA-N 414.608 6.454 0 1 HKAF biogenic Nc1nc(-c2ccccc2Cl)c2c(n1)N(c1c(Cl)cccc1Cl)C(=O)NC2 14962920 PQASAXDWZSDGOL-UHFFFAOYSA-N 420.687 5.047 0 1 HKAF CCCCCC[C@]1(c2ccccc2)CC(=O)[C@@H](SCCc2ccccc2)C(=O)O1 18128297 CUWRUSVMGVDZOP-ILBGXUMGSA-N 410.579 5.713 0 1 HKAF Clc1ccc([C@H](c2c[nH]cc2-c2cccc3ccccc23)n2ccnc2)c(Cl)c1 28473907 JMNHBCQWFJFBQW-XMMPIXPASA-N 418.327 6.976 0 1 HKAF CC(C)(C)c1cc(N)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2n1 34947171 FOZHABDRGZDSMZ-IZZDOVSWSA-N 413.443 5.785 0 1 HKAF O=C(Nc1sc(-c2ccccc2)nc1-c1ccccc1)c1cccc(C(F)(F)F)c1 35274100 QIEIMVLWULWRTN-UHFFFAOYSA-N 424.447 6.748 0 1 HKAF Cc1ccc(NC(=O)Nc2ccc3ncnc(Nc4cccc(F)c4)c3c2)cc1Cl 40880770 OBTQFQULTWFVBS-UHFFFAOYSA-N 421.863 6.118 0 1 HKAF COc1ccc([C@@H]2[C@H]3CCCCC3=NN2S(=O)(=O)c2cccc3ccccc23)cc1 43121969 YJCWBGMUNMLUDC-XUZZJYLKSA-N 420.534 5.140 0 1 HKAF CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1F 82159019 STXVUZULAJEEOK-UHFFFAOYSA-N 412.553 5.027 0 1 HKAF COC1=CC(c2ccc[nH]2)=N/C1=C\c1ccc(CCCCCCCCCC(C)C)[nH]1 83922281 QWQIDJSUNKLTOG-BWAHOGKJSA-N 407.602 7.036 0 1 HKAF in-vitro CC(C)(Oc1ccc(CCCOc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O 95560315 CCMXOJVKRSVMCK-UHFFFAOYSA-N 406.478 5.733 0 1 HKAF Cc1ccc2[nH]c(-c3ccccc3)c([C@H]3C=C(c4ccccc4)Oc4[nH]nc(N)c43)c2c1 95602534 GESRWCCZRNVZQP-HXUWFJFHSA-N 418.500 6.014 0 1 HKAF CN(C(=O)c1ccc2ncsc2c1)c1ccc(OCc2nc3ccccc3o2)cc1 96914918 YQZSXWWORVKWPF-UHFFFAOYSA-N 415.474 5.293 0 1 HKAF CCN(CC)c1ccc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2OCCCO)cc1 113701281 OXTQOESTHFNSTI-UHFFFAOYSA-N 419.521 5.326 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/CO)[C@@H]([C@@]3(C)CC[C@H](O)C[C@@H]3O)CC[C@@]21C 140333244 IQSTZRCIVTWSDM-XLPQHYNXSA-N 420.678 5.722 0 1 HKAF COc1cc2c(c(-c3cc4ccc(O)cc4o3)c1CC=C(C)C)C[C@H](O)C(C)(C)O2 141309832 RTIHYBYAAIMTLD-QHCPKHFHSA-N 408.494 5.397 0 1 HKAF Oc1ccc(-c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)c(Oc2ccccc2)c1 167306484 WAVJHJPTPGHLKV-UHFFFAOYSA-N 418.456 6.271 0 1 HKAF CCC(CC)NC[C@@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1 169336019 RJXAHGNHTYYDOQ-QGZVFWFLSA-N 420.397 5.598 0 1 HKAF COc1ccccc1[C@@H](c1ccc(OCCN2CCCCC2)cc1)c1cccs1 206287455 WKKOVQLWCSPBHD-RUZDIDTESA-N 407.579 5.802 0 1 HKAF CC(C)CC(=O)C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]4(C)C3=CC[C@@]12C 261524832 WCONBNFLHMTKFI-KRUDUMDYSA-N 416.646 5.539 0 1 HKAF C[C@H](Sc1nnc(-c2ccncc2)s1)C(=O)Nc1c(Cl)cccc1Cl 473082895 LPTFQLIPQOMSGZ-VIFPVBQESA-N 411.339 5.026 0 1 HKAF Cc1cc(Br)c2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc2c1 587029247 LTAMFGGWTDUZTP-UHFFFAOYSA-N 424.327 5.155 0 1 HKAF COC(=O)c1cc2nc([C@H]3Cc4ccccc4S3)[nH]c2c(F)c1Nc1ccccc1 587042484 KXKPELQLBMUACQ-GOSISDBHSA-N 419.481 5.622 0 1 HKAF Fc1c(Br)ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587047696 APAJHYAYDNOMKM-JGVFFNPUSA-N 400.078 6.042 0 1 HKAF Clc1cc(Cl)c2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2c1 587063455 NJNGDRUBBMLGKX-UHFFFAOYSA-N 403.696 6.769 0 1 HKAF CCOc1cc(/C=C/c2nc3cc(Cl)c(F)c(F)c3[nH]2)ccc1OC(F)F 587130652 NOIVMMBXMARFRX-GQCTYLIASA-N 400.759 5.665 0 1 HKAF Cc1cc(C)c2[nH]c([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)nc2c1 587141480 QXKSCYAQGXFCPM-SFHVURJKSA-N 423.941 5.038 0 1 HKAF Cc1cc(Br)cc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c12 587233130 INOKJIZIXGBQKU-ZIAGYGMSSA-N 408.340 5.185 0 1 HKAF C[C@]1(c2ccc(OCCCF)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329099 CSJHFWRQMDNJEK-ILBGXUMGSA-N 424.443 5.544 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(Cl)[nH]c4cccc(Br)c14)[C@@H](C2)C3=O 587417727 PFYGDXUEPGAJPK-YPMLDQLKSA-N 418.674 5.081 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccc4C(F)(F)F)o1)[C@@H](C2)C3=O 587419629 HLPMTPCHTPPJOE-LHSJRXKWSA-N 400.352 5.463 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)c1cc(Cl)ccc1n4C)[C@@H](C2)C3=O 587419948 GFYBTQQYWJZAGY-DFBJGRDBSA-N 417.892 5.656 0 1 HKAF COc1ccc([C@]2(Cc3ccc(Cl)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587422941 RMEUXSYBYXPFGP-BWKNWUBXSA-N 420.892 5.243 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1cc4c(cc1C)C(C)(C)[C@@H](C)CC4(C)C)[C@@H](C2)C3=O 587445120 HZMQVBNCWGINBL-NEGRVIKPSA-N 418.577 6.261 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1NC(=O)OC(C)(C)C)CC2=O 587470406 MJXQBXPQEPVGBA-DEOSSOPVSA-N 411.498 5.572 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H]1O[C@@H]1c1ccccc1)CC2=O 587487151 NCXMQXPZFDXNLD-DMTNHVFBSA-N 400.474 5.346 0 1 HKAF CCOC(=O)C[C@]1(c2ccc(F)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587501106 AIPABAZSEDRAGH-QHCPKHFHSA-N 416.876 5.172 0 1 HKAF COC(=O)c1ccccc1-c1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587522820 HXBGZLNBZMCQHV-RUZDIDTESA-N 412.485 5.726 0 1 HKAF O=C1C[C@@H](c2sc3ccccc3c2Br)Oc2c1ccc1c2CCCC1 587534210 BTIAGMFFUXVHBI-KRWDZBQOSA-N 413.336 6.249 0 1 HKAF CCOC(=O)c1c(-c2cc(F)c(F)c(Cl)c2F)[nH]c2c(C)cc(Cl)cc12 587624156 FDJXFLJRLJRRJC-UHFFFAOYSA-N 402.199 6.044 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c([C@H](C)CC(=O)O)c2c1 587639210 PIQVJZPHOMRBAW-UONOGXRCSA-N 414.343 6.689 0 1 HKAF Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587678050 MUJNFEJHOKWIEV-DYZYQPBXSA-N 413.128 5.283 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccccc3)[nH]c2Cl)N1 587701955 WYUNLBDLQREZPT-MGPLVRAMSA-N 420.713 5.255 0 1 HKAF CC[C@@]1(c2c(F)ccc(F)c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587717995 MBTCNYCKZCOIPR-NIVTXAMTSA-N 402.229 5.193 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(F)c2)N1 587725316 PJVGXDRSYGFUAS-BCTVWOGZSA-N 417.091 5.113 0 1 HKAF Cc1ccc(C)c([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587740749 KNCDCYIDTMMTMM-VJKDZHPOSA-N 417.366 5.058 0 1 HKAF C[C@H]1C[C@]2(CCN1Cc1ccccc1)N[C@H](C)Cc1cc(Br)c(F)cc12 587762751 UPGUVFYXSDQODU-VVBPWWLESA-N 417.366 5.002 0 1 HKAF CCOc1ccc(C(C)C)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587801342 KKWXDQWWQBMHTG-LRTDBIEQSA-N 406.339 5.734 0 1 HKAF COc1ccc2c(c1)[C@H](C)[C@@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587808565 NVQQSWDRRZNGLF-RRMDADRESA-N 404.323 5.076 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(C(C)(C)C)N1 587815140 YXVRNSFSTFVBKE-IVZQSRNASA-N 404.367 5.997 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SC3CCCC3)cc2)N1 587846063 SWQXJSLFSMBWOD-YEJXKQKISA-N 420.391 6.247 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sccc1-c1ccc(C)cc1 587872245 LKCPKBQVUOUYTI-UHFFFAOYSA-N 406.482 5.813 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c2C)c(OC)c1 587930177 QPMOXTRVNVEDGB-UHFFFAOYSA-N 413.477 5.107 0 1 HKAF Nc1ccc(-c2ccc3nc(/C=C\c4ccccc4Oc4ccccc4)[nH]c3c2)cc1N 587949885 LYUKEDLKGANRQJ-QINSGFPZSA-N 418.500 6.357 0 1 HKAF O=C(CCc1ccccc1)c1nc2c(OC(F)(F)F)cc(Br)cc2[nH]1 587953044 FEEKVXKWDZWSJV-UHFFFAOYSA-N 413.193 5.040 0 1 HKAF C[C@H](CCNCC12CC3CC(CC(C3)C1)C2)Nc1nc2cc(Cl)ccc2cc1F 653708737 KLCKWVJSRMUFFA-LJQCHSNASA-N 415.984 6.024 0 1 HKAF COc1cccc(CC[C@]2(c3ccc(F)cc3F)NCCc3ccc(F)c(C)c32)c1 962373768 JDDLRPBSHRBROI-RUZDIDTESA-N 411.467 5.443 0 1 HKAF COc1ccc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1OCc1cccc(F)c1 963090266 ITYBGGZWOKHLAP-BKMJKUGQSA-N 421.487 5.662 0 1 HKAF CCCC[C@H](CC)CC[C@@]1(CC[C@H](CC)CCCC)NCCc2cccc(Cl)c21 963390325 HJBWRXQRZKNBNN-JBNMYPGFSA-N 420.125 8.674 0 1 HKAF COc1cc2c(c3c1C(=O)C[C@@H](c1ccc(O)cc1)O3)C=C[C@@](C)(CCC=C(C)C)O2 1857533676 PVXFFZCURJBGCG-HFZDXXHNSA-N 420.505 6.018 0 1 HKAF Cc1nn(-c2ccccc2)c2c1c(=O)oc1ccc(NC(=O)Nc3ccccc3)cc12 1857629157 GCZYPAPAACLUSZ-UHFFFAOYSA-N 410.433 5.084 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)n(-c2ccc(-n3cc(-c4ccccc4)nn3)cc2)n1 1857745664 GWHHMKXJQOTUFX-UHFFFAOYSA-N 423.320 5.158 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356399012 KEMRDWDNECVERP-OTJIFCMISA-N 400.647 6.136 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356442193 RIVQQZVHIVNQFH-GEUDSKHKSA-N 420.678 5.410 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC=C5[C@H](CC[C@H](O)C5(C)C)[C@@H]4CC[C@]3(C)[C@@H]2C1 2356538803 RBANQYSPMJFZBG-NXPJUGQHSA-N 412.702 7.779 0 1 HKAF COc1c(C=CC(C)(C)O)cc([C@@H]2CC(=O)c3ccc(O)cc3O2)cc1CC=C(C)C 2356539596 SRFNFECUBWLUHV-QHCPKHFHSA-N 422.521 5.400 0 1 HKAF C[C@@H]1CC[C@H](O)CC1=CC=C1CCC[C@]2(C)[C@@H]1CC[C@H]2[C@H](C)CCC(=O)C(C)(C)O 2356555300 QCDBAHGYVQYEGK-AGIBWZEOSA-N 416.646 5.993 0 1 HKAF Cc1cc(C)nc(Sc2nc(Cl)nc(N(c3ccccc3)c3ccccc3)n2)n1 1022281 PKMXDZDFZMYHGS-UHFFFAOYSA-N 420.929 5.553 0 3 HKAF Cc1ccccc1CCC[C@H](CC1CCCCC1)CN(C)C(=O)Oc1ccccc1 203473007 WHGUBJTUBDYHHS-XMMPIXPASA-N 407.598 7.035 0 3 HKAF CC(C)(C)c1noc(-c2ccsc2)c1C(=O)NCc1ccc(OC(F)(F)F)cc1 775877 VFWGAMDVQIGTIQ-UHFFFAOYSA-N 424.444 5.529 0 1 HKAF Cc1nc2c(ccc3nc(NC(=O)c4ccc(Br)cc4)sc32)s1 2475029 RYUCPISFZANEEF-UHFFFAOYSA-N 404.314 5.229 0 1 HKAF CC(C)[C@@H](C)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cccc2ccccc12 2481873 CNKHEHQWBZRUKS-MRXNPFEDSA-N 418.924 6.590 0 1 HKAF COc1cccc2cc(-c3nc(-c4ccccc4)c4cc(Cl)ccc4n3)c(=O)oc12 3037913 YCMYADXOZIFFJA-UHFFFAOYSA-N 414.848 5.732 0 1 HKAF CC[C@H](CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 6002925 KZJWDPNRJALLNS-CHGYUGNRSA-N 414.718 8.025 0 1 HKAF CO[C@H](C1CCCCC1)[C@H](C)[C@H](OCc1cccc(Br)c1)[C@H](C)CO 7992073 DMJFQFIGRLPWIE-NBJYBMASSA-N 413.396 5.194 0 1 HKAF COc1cc(OC)c(-c2c(C)cc3cccc(OC)c3c2O)c2c1C(C)=N[C@H](C)C2 13359332 QGIHYQPVZRSTNP-CQSZACIVSA-N 405.494 5.300 0 1 HKAF biogenic,in-vitro CCCCCn1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)c2ccccc21 13678316 DOGHJMGHLGAOPF-UHFFFAOYSA-N 403.309 5.751 0 1 HKAF CN(C)C[C@@H](CSc1ccccc1)C(=O)c1ccc(OCc2ccccc2)cc1 13741933 BZAUNRIMGLUBQY-QFIPXVFZSA-N 405.563 5.418 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(F)c1)Oc1ccc(Cl)cc1-3 13777188 DZFWFWPEYUKVES-DEOSSOPVSA-N 405.900 7.235 0 1 HKAF C[C@@]12CCC=C[C@H]1[C@@H](c1ccc(Br)cc1F)N(Cc1ccccc1)C2=O 13830290 VLYJICXLKPVNJX-CZTZKLFOSA-N 414.318 5.644 0 1 HKAF Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccccc3)nc(NC3CCCC3)c12 13835489 SIWILKNHDXXHHI-HXUWFJFHSA-N 410.565 6.679 0 1 HKAF CCN[C@@H](c1cc(Cl)cc(Cl)c1)[C@H](NCC)c1cc(Cl)cc(Cl)c1 28765087 PJEQUAJKRIBYRF-HDICACEKSA-N 406.184 6.302 0 1 HKAF c1ccc(CNCCCCN(CCCNCc2ccccc2)Cc2ccccc2)cc1 38512241 LZLYGEABTOPIBD-UHFFFAOYSA-N 415.625 5.239 0 1 HKAF CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccccc1Cl 40860520 VCOBWHBESNIWDH-BSDZUQITSA-N 419.956 6.960 0 1 HKAF Cc1ccc(S(=O)(=O)Nc2scc(C)c2-c2nc3ccccc3s2)cc1F 43022310 QQNZHDMOHGPUCF-UHFFFAOYSA-N 418.540 5.582 0 1 HKAF CCN(CCCN1CCCCC1)c1cc(C)nc(Nc2ccc(Cl)cc2C)n1 45188301 PSDVKIUZGAWERJ-UHFFFAOYSA-N 401.986 5.193 0 1 HKAF C[C@@H](CN(C)C)C(=O)Nc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)c1 45196344 MBUSBNGLQILSPH-HNNXBMFYSA-N 404.539 5.095 0 1 HKAF c1ccc2c(-c3ccc(OCCN4CCCC4)cc3)c(-c3ccsc3)sc2c1 66136268 XYLNQJXKHFPVJW-UHFFFAOYSA-N 405.588 6.771 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)C[C@]12CC[C@@H](C)CO2 73163063 ONUQQQONSNRODL-VIMLXIBOSA-N 414.674 6.457 0 1 HKAF CO[C@@H]1Cc2sc(-c3ccccc3)cc2C2(CCN(Cc3ccccc3)CC2)O1 95553740 MFJLFJMRWUCQNE-DEOSSOPVSA-N 405.563 5.452 0 1 HKAF NCCSC(c1ccccc1)(c1ccccc1)c1ccc(OC(F)(F)F)cc1 95582352 UHWPNGCEJSTDRS-UHFFFAOYSA-N 403.469 5.569 0 1 HKAF COc1cccc(-c2sc(N)c(C(=O)c3ccc(Cl)cc3)c2CC(C)(C)C)c1 103226669 ZWZSXQKBVZONJS-UHFFFAOYSA-N 413.970 6.479 0 1 HKAF CCSc1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12 118750109 KHYYDBOJAJOGDO-UHFFFAOYSA-N 414.534 5.068 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 119291618 WOVIRZFRRNEFES-GIYHZCEKSA-N 414.718 8.313 0 1 HKAF in-man CC[C@H](CC[C@@H](C)[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1)C(C)C 135619077 SXXCAAVOWOSERF-OMEKMGQJSA-N 414.718 8.025 0 1 HKAF C[C@@H]1CC[C@@H](C)N1CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 146481348 DXTJWAKKLIVOBV-QZTJIDSGSA-N 406.599 5.448 0 1 HKAF CC[C@H]1C(=O)N(C2CCN([C@H]3CC[C@@H]4CCCc5cccc3c54)CC2)c2ccccc21 169341814 VPIVGIRSGLBSJH-HOKHCIIBSA-N 414.593 5.946 0 1 HKAF Cc1ccc(CCC[C@@H](C)c2cc(O)c3c(c2)OC(C)(C)C2=C3C[C@@H](C)CC2)cc1 169343230 AODDJPHHPOFQBO-VQTJNVASSA-N 404.594 7.572 0 1 HKAF CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1nc2ccccc2s1 169722354 SUVGGIIPTFDMFF-OALUTQOASA-N 413.333 6.279 0 1 HKAF CC[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(Cl)nc2)c1)c1ccccc1 205608093 UTKFEUWKLHRTKL-NRFANRHFSA-N 403.913 5.619 0 1 HKAF Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1n[nH]c(C)c1Cl 220777204 CIOTUGWBWJRZKN-UHFFFAOYSA-N 418.928 5.238 0 1 HKAF COC1CCC2(C=C(c3cc(-c4ccc(Cl)c(Cl)c4)ccc3C)C(=O)N2)CC1 221194851 ICFCKZFXCSWFJG-UHFFFAOYSA-N 416.348 5.810 0 1 HKAF CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C)C(C)C 255225819 LGJMUZUPVCAVPU-BDMVBMHQSA-N 416.734 8.105 0 1 HKAF CCc1ccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1Br 586977950 SOZPDXFKJXWARW-UHFFFAOYSA-N 424.092 5.016 0 1 HKAF Cc1ccc2c3c(c(Cc4ccc(Cl)cc4)c(C(C)C)nc13)-c1ccccc1C2=O 586993409 NAHWFHKSZBACLN-UHFFFAOYSA-N 411.932 7.122 0 1 HKAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587011127 HCBUDEYBJOTMHM-UHFFFAOYSA-N 424.398 5.635 0 1 HKAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(OCc3ccccc3)cc2[nH]1 587012184 PQSMNMJYYDVYIH-UHFFFAOYSA-N 411.530 6.165 0 1 HKAF COc1cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2cc1Cl 587015618 SLMNMHFRXIYHKQ-UHFFFAOYSA-N 410.713 6.322 0 1 HKAF Cc1cc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2cc1F 587021805 RQHMRTYLGFWPCF-UHFFFAOYSA-N 401.470 5.940 0 1 HKAF COc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1C 587027832 SSHVJHCPBXVWTH-DBVUQKKJSA-N 409.555 5.016 0 1 HKAF COC(=O)c1cccc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 587072015 OQAYTCQBZVSIPB-AIOZRMLZSA-N 415.320 6.022 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587075683 LBBZDQAILAAVPS-UHFFFAOYSA-N 414.900 5.209 0 1 HKAF Nc1ncnc2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc12 587077861 YUZSMDJBFWCZGK-KAMYIIQDSA-N 424.895 5.291 0 1 HKAF CCOC(=O)Cc1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587123661 FMUIIFDNIKHUHN-UXBLZVDNSA-N 406.429 5.451 0 1 HKAF Cc1c(Br)ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 587128703 NHSKGTWWKHBGCF-UHFFFAOYSA-N 420.282 6.362 0 1 HKAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1F 587150665 DFIYBWOPBNERRC-ZJUUUORDSA-N 417.175 5.894 0 1 HKAF Cc1cc(Cl)cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c12 587241116 ZPJIBOIUISIUFQ-AOSWFRPUSA-N 419.953 5.080 0 1 HKAF Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1C(C)(C)C 587336572 ACVYPYYZFRNNNR-URXFXBBRSA-N 408.473 5.066 0 1 HKAF COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1SC 587379764 ZTCZPIVHNVPBKJ-LADGPHEKSA-N 424.493 5.536 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1SC(C)C)O2 587408690 HUVVSPXZGDZVCL-KRWDZBQOSA-N 406.345 5.547 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(/C=C/C(=O)OC(C)(C)C)cc1)CC2=O 587479695 CPOQMTGYPUCNTJ-UNJYKCMZSA-N 408.494 5.406 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(OCC)cc1)CC2=O 587480912 PXLIMDJPRCZAMB-SANMLTNESA-N 402.490 5.652 0 1 HKAF Cc1cc(Br)cc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c12 587496063 HKVCXKYRMGWFTP-HXUWFJFHSA-N 410.311 5.824 0 1 HKAF O=C1C[C@@]2(CCCN(C(=O)OCc3ccccc3)CC2)Oc2c1ccc1c2CCCC1 587513918 LWXKTQIMCZGAFH-SANMLTNESA-N 419.521 5.092 0 1 HKAF CCCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587593486 DSWMCKBOUJHYTH-WIOPSUGQSA-N 420.461 5.283 0 1 HKAF Cc1ccc([C@]2(C3CCCCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587603034 MNVPZQBSZLVFIJ-IGKIAQTJSA-N 414.501 6.138 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12c1ccsc1-c1sccc12 587618051 MHFNMDQRUOZMTA-KRWDZBQOSA-N 404.468 5.401 0 1 HKAF Cc1cc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587711986 YYJUFIZXIWJHED-DYZYQPBXSA-N 420.219 5.376 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccccn3)cc2)N1 587771483 LWLFWXHKVJHJDW-YEJXKQKISA-N 413.290 5.399 0 1 HKAF CCOc1ccc2ccccc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587800936 HZWVCHUEAAFGDJ-MCMMXHMISA-N 414.318 5.764 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)[C@]1(CCC3)N[C@H](C)Cc2cc(Br)c(F)cc21 587805194 SILVAHWVDKRRMB-MCMMXHMISA-N 413.334 5.492 0 1 HKAF CC[C@@H]1c2cc(OC)ccc2CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587806796 JKKDHENFOGPBJM-PFDOBSCMSA-N 418.350 5.466 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(C)(c3ccccc3)CC2)N1 587818638 RPYOMTMUTUPIJL-IYJORBIASA-N 402.351 5.850 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2Cc2ccccc2)N1 587824202 VLMDTLGLHSBEPL-LDJQZATESA-N 402.351 5.751 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccsc2)N1 587852617 HRALJXBHJGDQSE-YUNKPMOVSA-N 402.332 5.940 0 1 HKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cccc(I)c2[nH]1 587950864 GOFSLLKGXIVPQN-LBPRGKRZSA-N 414.246 5.461 0 1 HKAF c1ccc(-c2cccc3c2[C@]2(C[C@@H](c4ccccc4)Oc4ccccc42)NCC3)cc1 962672291 XZCJXPYNUVAQHL-LMSSTIIKSA-N 403.525 6.267 0 1 HKAF CC(C)(C)[C@]1(c2cccc(Cl)c2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962672375 SXNZNLCYANHTAT-RPBOFIJWSA-N 422.956 5.277 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@@]3(CC(=O)c1ccc(C)cc1)C(C)(C)C 963039313 UQPQPAMVIKMZTP-AREMUKBSSA-N 402.538 5.212 0 1 HKAF Clc1cc(Cl)c2c(c1)[C@@H](c1ncc(-c3cccc(Br)c3)[nH]1)NCC2 963115714 APBNUECWXHKKQF-KRWDZBQOSA-N 423.141 5.381 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1c[nH]c2cc(Br)c(Cl)cc12 963118173 YYTFBHGMBHFHHK-RNODOKPDSA-N 419.725 5.833 0 1 HKAF Cc1ccccc1COc1c(C)cc([C@@H]2NCCc3c(C(=O)O)cccc32)cc1C 963129459 FDKZJNUFWAZYHI-DEOSSOPVSA-N 401.506 5.124 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@]21C[C@@H](C)CCc2ccc(Br)cc21 963259160 RSJAAASFKAHIEE-ZSEKCTLFSA-N 420.778 5.473 0 1 HKAF COc1ccc2c(c1)[C@](c1ccc(C)cc1)(C(C)(C)C)N(Cc1ccc(F)cc1)CC2 963300986 JTAPZWONWIVDJK-MUUNZHRXSA-N 417.568 6.491 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1ccc2c(c1)Sc1ccccc1N2C 963576828 AGLJAVXXLABNIE-ODCWNRFASA-N 418.562 5.560 0 1 HKAF FC(F)(F)c1c(OC[C@@H]2C[C@@H]2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12 1772639344 LETPPZNSGLCXSE-GOEBONIOSA-N 421.850 5.537 0 1 HKAF CS(=O)(=O)c1cccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)s2)c1 1857601600 SYHGBKPHPXFGNP-UHFFFAOYSA-N 406.916 5.116 0 1 HKAF CC(=O)O[C@@H](C(=O)CC(C)C)C(C)=CCCC(C)=CCc1c(O)cc(C)cc1O 2356421764 SKUHMSDGVDBXSV-XMMPIXPASA-N 402.531 5.168 0 1 HKAF CC(C)=CCCC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)c(C)cc1O 2356610489 MGUSWYZUFQZBMT-DEOSSOPVSA-N 422.521 6.054 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CC[C@]1(C)C2=CCC[C@H](C)[C@@]2(C)CC[C@H]1C 2356842687 MXGORNADMFGTNH-PMWPQBSLSA-N 423.649 5.798 0 1 HKAF Cn1c(NCc2ccc3occc3c2)nc2cc(-c3ccc(F)cc3)sc2c1=O 61927560 HNJRAVAUYDYLON-UHFFFAOYSA-N 405.454 5.159 0 3 HKAF CC(C)=CCC[C@H](C)C[C@@H]1CC2=C(C(=O)OC(C)(C)O2)[C@H](c2ccc(F)cc2)O1 72135018 HCPGDBXDHFETOE-NBCNXNJRSA-N 402.506 5.992 0 3 HKAF COC(=O)c1cc([C@@H](c2ccccc2O)[C@H]2CCCO2)n2cccc(C(C)(C)C)c12 201482600 VEKHOGXHVCKJSG-FGZHOGPDSA-N 407.510 5.040 0 3 HKAF COc1ccc(-c2noc(-c3c(F)cccc3Cl)c2C(=O)N[C@H](C)C(C)C)cc1 2484851 PWAZCQJEPOPRCZ-CYBMUJFWSA-N 416.880 5.584 0 1 HKAF COc1ccc([C@H]2N[C@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)cc1 3923765 ITLDIACTCBIPIB-UKILVPOCSA-N 420.516 5.543 0 1 HKAF CCCn1c(-c2ccc(F)cc2)nc2c(NCCCN3CCCC[C@H]3C)nc(C)nc21 7991781 GRXKIGKERWPDGZ-QGZVFWFLSA-N 424.568 5.027 0 1 HKAF CCCCNc1nc(C)nc2c1nc(-c1ccccc1)n2[C@H](C)CCCN(CC)CC 7991805 QMQZMVVEUJQTFB-LJQANCHMSA-N 422.621 5.697 0 1 HKAF O[C@@H]1CCCc2nc3ccccc3c(NCCCC(c3ccccc3)c3ccccc3)c21 14946481 BLNORRZQXAGKJT-HHHXNRCGSA-N 422.572 6.629 0 1 HKAF C[C@H](O)CCCCCCCCCCCCCCCCCCCCC[C@H](O)CCO 15273945 UHNHNACCNLEBON-UIOOFZCWSA-N 414.715 7.303 0 1 HKAF biogenic CN(CCCOc1ccccc1[C@@H]1Sc2ccccc2N1C=O)C1CCCCC1 28086814 GKNHNCVXBFGVAK-DEOSSOPVSA-N 410.583 5.487 0 1 HKAF CCCCCc1cc(O)cc(OCCCCCCCCCCCC(=O)NCCO)c1 28649190 QUDVCWZKXYUWQP-UHFFFAOYSA-N 421.622 5.513 0 1 HKAF N=C(N)c1ccc2oc(CCCCCCCc3cc4cc(C(=N)N)ccc4o3)cc2c1 28870170 SXMHHSYRECRSLE-UHFFFAOYSA-N 416.525 5.483 0 1 HKAF Cn1c(-c2ccccc2C(F)(F)F)nnc1-c1ccc2ccc(Cl)cc2c1O 29042821 YWPFKHMYRTUAIW-UHFFFAOYSA-N 403.791 5.680 0 1 HKAF COc1ccc(-n2nc(-c3ccc(-c4ccccc4)cc3)n[n+]2-c2ccc(F)cc2)cc1 29130864 ZZBMHURNCJHLMQ-UHFFFAOYSA-N 423.471 5.026 0 1 HKAF COP(=O)(OC)O[C@@H](C(C)(C)Cc1ccc(Cl)cc1)P(=O)(OC)OC 29222382 PEIBBZSANJMEQC-CQSZACIVSA-N 414.759 5.138 0 1 HKAF Cc1cccc(C)c1NC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 36189281 QAHXIOGYJOSPBU-BJFQLWQVSA-N 420.597 5.155 0 1 HKAF O[C@@]12CCCC[C@@]13CCN(CC1CCC1)[C@@H]2Cc1ccc(OCc2ccccc2)cc13 40425158 XFBXFCJOLTUTHX-OZNIXHKMSA-N 417.593 5.239 0 1 HKAF CC[C@@H]1C[C@](CC)(S(=O)(=O)c2ccc(Cl)cc2)c2c(F)ccc(F)c2O1 49069250 SPYBFJOIUYGASJ-YJYMSZOUSA-N 400.874 5.259 0 1 HKAF COc1ccc([C@H](Nc2ccc(C)cc2Cl)C(=O)CCc2ccncc2)c(OC)c1 52595047 FZWDSWDHACUSLN-DEOSSOPVSA-N 424.928 5.416 0 1 HKAF CCCc1cc(-c2nc(-c3ccc(OC(=O)c4ccccc4)cc3)cs2)ccn1 72181282 UTQIDXTXWUQIBV-UHFFFAOYSA-N 400.503 6.044 0 1 HKAF CCCCNC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F 82150414 JELQPQNUDRRWPB-JRYVEOFUSA-N 424.564 5.295 0 1 HKAF CCCCCc1nc(-c2cnc(NCCCOCCC)nc2-c2ccccc2)oc1C 82162475 DTPQATHXVYCYMZ-UHFFFAOYSA-N 422.573 6.068 0 1 HKAF CCCCCc1nc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccco2)oc1C 82165409 YMDLKYQZKXYPEA-QFBILLFUSA-N 408.546 6.423 0 1 HKAF CC[C@@H](C)Cn1c(-c2cccs2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82222722 CPSYUYRTWHGJGS-CQSZACIVSA-N 411.962 5.866 0 1 HKAF CC(=O)[C@H]1C(C)(C)C[C@@H]2C[C@H](C)C[C@@H]2[C@H](OC(=O)/C=C\c2ccccc2)[C@]1(C)C(C)C 95485995 POKZVPGYYXWMBO-CBGYDPMXSA-N 424.625 6.571 0 1 HKAF biogenic,in-vitro O=C(O)NCCc1c[nH]c2ccc(OCc3cccc(Oc4ccccc4)c3)cc12 95596598 FHLURVQTWPLGJM-UHFFFAOYSA-N 402.450 5.349 0 1 HKAF O=C1C[C@@H](c2ccccc2)C(=O)N[C@@H](c2ccccc2)C/C=C\C[C@@H](c2ccccc2)N1 95664586 GPBYDCUKLUJVJM-SZDDETFJSA-N 424.544 5.225 0 1 HKAF CC[C@@H](C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccncc1 100703386 UGVLSVWFYFCTNY-MLGOLLRUSA-N 410.543 5.318 0 1 HKAF COc1cc(N[C@H](C)CCCNc2ccnc3cc(Cl)ccc23)c2ncccc2c1 169327017 XGGLHZNSHPBQNK-MRXNPFEDSA-N 420.944 6.138 0 1 HKAF Cc1ccc(-c2ccc([C@H](C)Nc3nc(-c4ccccc4C(C)C)ncc3C)cc2)cn1 169340347 FOFTUNOXLMTDLT-NRFANRHFSA-N 422.576 7.119 0 1 HKAF Fc1ccc(NCc2ccccc2)cc1-c1ccnc2[nH]c(C3CCNCC3)cc12 226056063 OQAVAXDSDBEDBE-UHFFFAOYSA-N 400.501 5.448 0 1 HKAF CC(C)/C=C/[C@H](C)C[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 255214675 HDXBTNHKWSEULV-ONQGDVHRSA-N 412.702 7.801 0 1 HKAF CC(C)C(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C 255258864 PGLNLCWHYQYRGQ-WIOVBDDSSA-N 400.647 6.568 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@@H](O)C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 299873091 LNNXWNOUIHYAOR-RGCAWARNSA-N 420.678 5.554 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(Br)cc(C)c3[nH]2)c1 586879442 RAEJSAILVDTBQU-UHFFFAOYSA-N 419.322 6.149 0 1 HKAF CCN(C)C(=O)Oc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586987193 BKUORGMFEMBAHC-UHFFFAOYSA-N 424.456 5.269 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(F)c(C(F)(F)F)c4)nc13)-c1ccccc1C2=O 586993950 RYCYIKZRYKEICT-UHFFFAOYSA-N 407.366 6.580 0 1 HKAF COc1cc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2cc1F 586998373 KJBRCNUPKAPIHC-VQHVLOKHSA-N 413.246 5.904 0 1 HKAF Cc1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cc1Br 587006806 SJACSHIRIMNWNS-UHFFFAOYSA-N 405.093 5.316 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c2)c1 587049669 KDJURRXELICOAA-UHFFFAOYSA-N 402.668 6.065 0 1 HKAF Fc1cc(Cl)cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c12 587050353 PFZLKMLWYAYAOE-UHFFFAOYSA-N 407.275 7.496 0 1 HKAF Cc1cc(Br)c2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2c1 587050763 MBQYXMTVFMEWMY-UHFFFAOYSA-N 422.109 6.868 0 1 HKAF Cc1nn(-c2cccc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c2)c(C)c1Cl 587065580 SOJLATHXKWTZIG-UHFFFAOYSA-N 408.786 5.844 0 1 HKAF O=C1c2ccccc2-c2c(Cc3ccccc3)c([C@@H]3CCCNC3)nc3cccc1c23 587105947 HMFWADXKKBNYHR-LJQANCHMSA-N 404.513 5.504 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(F)c1 587145385 VALYGAOKYVCKJJ-UHFFFAOYSA-N 418.424 5.204 0 1 HKAF COc1ccc2c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c[nH]c2c1 587347292 OVOIPJLQBDUGBC-ZCYQVOJMSA-N 417.436 5.296 0 1 HKAF Cc1cccc2c3c([nH]c12)[C@@]1(CC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349752 VOOASBFWLOOYLN-NVQXNPDNSA-N 413.448 5.522 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H](Cc3ccccc3)C2)[C@@H]1c1ccc(F)cc1 587351020 IZQXZIOOAGEJCN-JRLVAEJTSA-N 416.492 6.062 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](c2cncnc2)CCC3)c1 587363954 UPXJAOPFOZKXSZ-LJQANCHMSA-N 407.473 5.915 0 1 HKAF C[C@@]1(c2ccc3ncsc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587376610 XQGBOZLPAMMGCO-GMAHTHKFSA-N 405.450 5.415 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Br)ccc1Cl)CC2=O 587458372 SJFYLXYKSSQHNF-LJQANCHMSA-N 409.707 5.641 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)cc(CN3CCCC[C@H]3C)c1C)CC2=O 587476604 QAEUPYRDXKMBDS-WXTAPIANSA-N 421.581 6.042 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCCCc3ccccc3)c1)CC2=O 587485964 XQURZGVUGATTCL-SANMLTNESA-N 416.517 6.063 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(CCc3ccccc3)cc1)CC2=O 587489771 PSFWRFDUSPDSDW-HHHXNRCGSA-N 400.518 6.011 0 1 HKAF O=C1C[C@@H](c2cccn2-c2cccc(Br)c2)Oc2c1ccc1c2CCCC1 587505880 WDQQDPKLTANZEH-QFIPXVFZSA-N 422.322 5.825 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cc1C(F)(F)F 587545670 HBALWEFAMWESOT-XLIONFOSSA-N 404.315 5.253 0 1 HKAF Cc1ccc(N)c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587580145 QYHLPMHPKUMCHH-RPLLCQBOSA-N 423.468 5.188 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccccn2)cc1 587585379 CXBBNVPRRPOGDL-DHLKQENFSA-N 411.413 5.282 0 1 HKAF C[C@@]1(c2ccc(-c3ccccc3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611804 JTBUHSFXCULVHA-RDGATRHJSA-N 414.482 5.998 0 1 HKAF O=Cc1cc2sc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2s1 587618423 OPBSKYBJLDYNOR-WIYYLYMNSA-N 408.456 5.184 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc2ccc(Cl)nc12 587619381 SALRHIIXRKRYDE-UTKZUKDTSA-N 409.850 5.358 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCOc3ccc(Cl)cc32)N1 587694514 GZXCBKXBLPQGST-NSPYISDASA-N 410.714 5.192 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3ccc(Cl)cc3)c2)N1 587701448 UMKOVUKDTCTAQP-NSPYISDASA-N 420.713 5.051 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2cccc(Cl)c2)N1 587701496 NNMBBRMNHWXOLB-WLRWDXFRSA-N 410.714 5.264 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(Cl)c(Cl)c2)N1 587706265 PICLKYKPGLLDIK-ZKANADHPSA-N 404.110 5.088 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cccnc2Cl)N1 587707212 UUHNGHFWSAQZPK-ZMZPIMSZSA-N 420.713 5.051 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C(F)(F)F)c2F)N1 587715204 XCJSPGJQMRAQEU-ZKANADHPSA-N 406.192 5.370 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccc(F)cc3)cs2)N1 587735933 RVRKWDOCTBYHLN-MGNBDDOMSA-N 421.310 5.474 0 1 HKAF Cc1ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2c1 587783766 HAWKBEPIQSWCNB-UHFFFAOYSA-N 404.513 6.708 0 1 HKAF CC[C@H](C)c1ccc([C@]2(CC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587814225 SEINDEGLXSIIRS-DFFLPILJSA-N 404.367 6.290 0 1 HKAF Cc1ccc(-c2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587828943 PCFYCHHLEFELAB-LAJNKCICSA-N 400.291 5.780 0 1 HKAF CCOc1cccc2cc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)oc12 587832199 ZKCNWTUKJODWJN-QKVFXAPYSA-N 418.306 5.531 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)s2)N1 587846171 GYWFGPSHKNMVAZ-NXSYQRQQSA-N 405.130 5.036 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3cccs3)n2)N1 587852402 KTNMHVDPIHBTHB-FVMDXXJSSA-N 409.349 5.397 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccsc3)nc2)N1 587853479 NJAGTRQWLSBJJQ-NSPYISDASA-N 403.320 5.335 0 1 HKAF Oc1ccc(-n2c(O)cc(-c3cccc(Br)c3)c2O)cc1-c1ccccc1 587924978 CTGXPJOGNXMUAZ-UHFFFAOYSA-N 422.278 5.691 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1ccc(O)c(-c2ccccc2)c1 587926820 PNFIRFCIFGPQRW-UTSGNWPNSA-N 405.538 6.395 0 1 HKAF O=C(CCc1ccccc1)c1nc2cc(Br)c(OC(F)(F)F)cc2[nH]1 587953404 KCBITDQHUKWMMQ-UHFFFAOYSA-N 413.193 5.040 0 1 HKAF CCC/C=C/C[C@@H]1C/C=C/C=C(C)/C=C/C=C\[C@@H](O)[C@@H](O)/C=C(C)/C=C/C=CC(=O)N1 653745665 ALYLZDHKQZUVDF-YRXGEICMSA-N 423.597 5.017 0 1 HKAF C[C@@H](Oc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)c1c(Cl)cncc1Cl 653827650 AZEJCKFRNKNLKB-LLVKDONJSA-N 424.291 5.948 0 1 HKAF C[C@H](C(F)(F)F)[C@@]1(c2ccccc2)c2ccsc2CCN1Cc1cccn1C 962396394 GSVNBRNEIHVHSX-HRAATJIYSA-N 404.501 5.587 0 1 HKAF COc1ccc([C@@]2(c3ccc(C)cc3)NCCc3cc(-c4ccccc4)ccc32)cc1 962666159 LFDIDGXMTPVALB-GDLZYMKVSA-N 405.541 6.108 0 1 HKAF COc1cc(-c2ccccc2)ccc1[C@@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962722135 YZWPIXGTZWKYSZ-IBVKSMDESA-N 419.565 5.954 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccccc2F)([C@H]2CC[C@H](C(=O)O)CC2)N1 962944819 FRTKZCFKWIIUMD-FZFIKXMHSA-N 420.528 5.366 0 1 HKAF C[C@@]1(c2cc(-c3ccc(F)cc3)no2)c2ccsc2CCN1Cc1cccnc1 963011948 OXPULVLPHCTWCQ-QHCPKHFHSA-N 405.498 5.259 0 1 HKAF Fc1cccc2c1[C@@](c1ccccc1CN1CCSCC1)(C1CC1)N1CCC[C@@H]1C2 963102486 MWJQAOVDQDDQJH-GJZUVCINSA-N 422.613 5.049 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@]2(c1ncco1)c1ccc(Cl)cc1Cl 963118355 ZGNKFVZWHIILRV-IERDGZPVSA-N 403.284 5.433 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1ccc(NC2=N[C@H](CC)CS2)cc1 963241735 NTQCEHDJXFAHJY-JYMRHQFYSA-N 407.627 5.900 0 1 HKAF Fc1ccccc1CC[C@H]1CN(Cc2c[nH]c3cc(Cl)ccc23)CCC1(F)F 1772599049 FUCUSCARHYQUSH-KRWDZBQOSA-N 406.879 6.050 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 2356654791 KLVOVVGNJIYRRP-AJUCFHBPSA-N 412.702 7.801 0 1 HKAF C=C=C(CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356746587 FNCTWJAIYWHSQR-LQOXIJNNSA-N 410.686 7.710 0 1 HKAF COc1ccc(-c2noc(-c3ccccc3OC)c2C(=O)NCC2CCCCC2)cc1 773999 APXRPBJFJNDKKE-UHFFFAOYSA-N 420.509 5.336 0 1 HKAF CC1(C)C=C([C@]23C=C[C@H](C2)[C@@H]2C(=C4CC(C)(C)NC(C)(C)C4)C=C[C@@H]23)CC(C)(C)N1 3068481 YPNNEKSEHNACRE-CBBANLGTSA-N 406.658 6.079 0 1 HKAF O=C(c1ccncc1)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1 3956203 RJFGJDDGDHWATH-UHFFFAOYSA-N 411.549 5.271 0 1 HKAF COc1ccc(/C=C/[C@@H]2CCC=C[C@H]2c2cc(OC)c(OC)cc2OC)cc1OC 13384111 UAIKPBWIUUZQGF-GMIBQGTOSA-N 410.510 5.493 0 1 HKAF O=c1c(-c2ccc(Cl)c(Cl)c2)cccn1[C@@H](CN1CCCC1)c1ccccc1 13436656 MDYGKMRDEQAVJL-QFIPXVFZSA-N 413.348 5.507 0 1 HKAF COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 13557961 FRFXZSLTPCIQEF-UHFFFAOYSA-N 402.494 5.497 0 1 HKAF CN(C)CC[C@H](NC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 13684842 JXZAZINVSKOXDR-QHCPKHFHSA-N 407.945 5.822 0 1 HKAF CC(C)=CCc1cc2c(c(CC=C(C)C)c1O)O[C@@H](c1ccc3c(c1)OCO3)CC2=O 14780770 VRZNNJMFRSHNKF-HSZRJFAPSA-N 420.505 5.845 0 1 HKAF biogenic CC1(C)C=Cc2cc([C@H]3CC(=O)c4c(O)cc5c(c4O3)C=CC(C)(C)O5)ccc2O1 15205839 SZOBYAPKYZKKGY-HXUWFJFHSA-N 404.462 5.467 0 1 HKAF biogenic c1ccc(-c2c[nH]c([C@@H]3Cc4c([nH]c5ccccc45)C4(Cc5ccccc5C4)N3)n2)cc1 26816315 CCNRQAJHYLJWSR-DEOSSOPVSA-N 416.528 5.439 0 1 HKAF CCCCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)[C@H]1c1ccccc1C(F)(F)F 27209634 GDLHFWCCZKQDGB-GMQRBVGNSA-N 411.420 5.297 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC1[C@@H](O)CCC[C@@H]1O 28952487 XZCGVHQBCITDBO-QLEMEAPYSA-N 418.618 5.950 0 1 HKAF CCCCN(CCCC)CCCOc1ccc(/C=C/c2nc3ccccc3s2)cc1 29476410 KDEWKJCWKHFWHS-SAPNQHFASA-N 422.638 7.138 0 1 HKAF Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3cccnc3C)c(C)c1)CC2 29552951 GTLYLKMUZXQGHT-UHFFFAOYSA-N 408.889 5.442 0 1 HKAF CC(C)CNc1cc(CCc2cccc3ccccc23)nc(NCc2ccccc2)n1 40430072 OVCAENUPGKXDAK-UHFFFAOYSA-N 410.565 6.095 0 1 HKAF COc1cc2nccc(Oc3ccc4c(Nc5ccccc5)cccc4c3)c2cc1OC 40867060 ZHZARFKOCTYQNZ-UHFFFAOYSA-N 422.484 6.941 0 1 HKAF CN(CCN1CCN(c2cccc(C(F)(F)F)c2)C1=O)CC12CCC(CC1)C2(C)C 43025221 GPVQRHUFRWEYGC-UHFFFAOYSA-N 423.523 5.096 0 1 HKAF CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccccc1 82134025 FFJLCEMQXVTKEG-OYRHEFFESA-N 422.617 5.380 0 1 HKAF Cc1noc(C)c1-c1ccc2c(Nc3ccccc3C(C)(C)C)c(C(N)=O)cnc2c1 84635697 FXGZSKNYBROIMW-UHFFFAOYSA-N 414.509 5.647 0 1 HKAF CCN(CC)c1ccc(C)c2nc(-c3c(OC)cc(COC)cc3OC)c(C)cc12 84710786 UBNLUICXZOVIPA-UHFFFAOYSA-N 408.542 5.528 0 1 HKAF CC(C)CCC[C@H](C)CCC[C@@H](C)CCOC[C@]1(C)CCc2cc(O)c(F)cc2O1 95574146 JELMBHCKEXSVGQ-UZINWLIJSA-N 422.625 7.291 0 1 HKAF Cc1c(Cl)cccc1C(=O)N1CCC[C@H](c2nc(-c3ccccc3Cl)no2)C1 95592971 KAWYIAWYROCBKB-AWEZNQCLSA-N 416.308 5.372 0 1 HKAF c1ccc(CN[C@@H]2C3C[C@H]4CC[C@H](C3)N4[C@H]2C(c2ccccc2)c2ccccc2)cc1 100714222 AIGRKPPMDORFBF-HTCHUFIESA-N 408.589 5.602 0 1 HKAF O=C(c1cc(Cl)cc(Cl)c1)N1CC[C@@H]2C[C@@H]1c1cc(N3CCCCC3)ccc12 102903548 HIOAILCNYOLLTD-IVZQSRNASA-N 415.364 6.058 0 1 HKAF CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(O)=C2[C@H]1c1cccs1 104049415 DPMLOSSSACEVOZ-IQMFZBJNSA-N 404.491 5.911 0 1 HKAF CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2cn[nH]c2cc1C)c1ccccc1 114545881 ZFIGEFACRMPUIG-USDPSEJKSA-N 408.501 6.338 0 1 HKAF C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 118937280 CIBAPVLFORANSS-WZVZKQHUSA-N 414.630 6.002 0 1 HKAF endogenous,in-man CC(C)C[C@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118937329 FHSVMYDBGPVTTJ-SDPCMJJLSA-N 420.678 5.410 0 1 HKAF endogenous,in-man O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccc(F)c(F)c1 169350887 AAZOQKAGKZABTI-RBUKOAKNSA-N 413.295 5.102 0 1 HKAF CC/C(C)=C(/C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 169621266 RSYUIODCUYLKIN-FFFJHDGBSA-N 412.702 8.089 0 1 HKAF CC[Si](/C=C/[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C)(CC)CC 195479722 YJHXTKLNZPUSSR-KOMICREVSA-N 412.690 6.583 0 1 HKAF COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)noc2NC(=O)C(C)(C)C)cc1 299831525 DXGLAMIYOFRRGF-UHFFFAOYSA-N 416.861 5.066 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 586879463 RNMZIZCDEICYLZ-UHFFFAOYSA-N 410.452 5.403 0 1 HKAF CCCCC1CCC(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CC1 586893192 WVAGUDHYZZIYDU-UHFFFAOYSA-N 403.286 6.808 0 1 HKAF CO[C@@H]1C[C@H](c2ccccc2)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990790 FGKYOUJLZTVTIE-OPAMFIHVSA-N 407.469 5.569 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 587004511 VPAVXBILCAREPG-UHFFFAOYSA-N 417.266 5.100 0 1 HKAF FC(F)(F)c1cc(Cl)c2nc(-c3cccn4c(Br)cnc34)[nH]c2c1 587008400 VCHMFVPULXTSFD-UHFFFAOYSA-N 415.600 5.312 0 1 HKAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)s1 587013934 DABLHRLQDJFXTA-QMMMGPOBSA-N 423.382 6.130 0 1 HKAF Sc1nnc(SCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)s1 587025297 KRZWJOFWLCGEJE-UHFFFAOYSA-N 413.578 5.272 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cnc3ccccc3c2[nH]1 587072270 PZKSEDRXYKPBDF-JFURGMOJSA-N 408.332 6.784 0 1 HKAF Oc1c(Br)ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587074748 XEOGPFAEIBPNEL-HNNXBMFYSA-N 406.711 5.022 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587076719 ZZACXRPWOPCVPY-UHFFFAOYSA-N 414.896 5.956 0 1 HKAF C[C@H](c1nc2cccc(C(C)(C)C)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128930 FXQNDGBEWVHLHN-MRVPVSSYSA-N 402.823 6.195 0 1 HKAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(SC(F)(F)F)ccc2[nH]1 587147212 GKGQZUGPEAQFJE-UHFFFAOYSA-N 410.371 5.521 0 1 HKAF CCCCOc1cc2nc(-c3coc4cc(F)ccc34)[nH]c2cc1Br 587175625 VJXZEIKNMZKFPP-UHFFFAOYSA-N 403.251 6.057 0 1 HKAF Cc1ccc(Cl)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1F 587337338 VIMSTKDTYQWODE-AUSIDOKSSA-N 414.835 5.907 0 1 HKAF C[C@]1(c2cc(Cl)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339703 ZHAZRDZCSHYQPW-IFMALSPDSA-N 400.808 5.598 0 1 HKAF COc1cccc(-c2cc(-c3cccc(Cl)c3Cl)nc3c2oc2ccccc23)c1 587357254 FLGUWLHFVAEHCR-UHFFFAOYSA-N 420.295 7.630 0 1 HKAF COc1cccc(-c2cc(-c3nc4cc(F)ccc4[nH]3)nc3c2oc2ccccc23)c1 587361352 YNDHTNMAYIGMRF-UHFFFAOYSA-N 409.420 6.339 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(OC)ccc(OC)c2C3)c1 587362548 JOJQDBRLFZVKJX-UHFFFAOYSA-N 423.468 6.245 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3cc(C)sc3C)[nH]c3ccccc13)O2 587410520 OLXFDAUEZMBWBX-NRFANRHFSA-N 402.519 6.110 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OC)cc1-c1ccccc1)CC2=O 587481075 PIZIAEOFSNIXQK-HSZRJFAPSA-N 418.489 5.735 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H](c2ccccc2)CCC[C@@H]1CC(=O)O 587491027 TXDUOLHILNWVLH-HUJREVKFSA-N 408.494 5.107 0 1 HKAF COC(C)(Cc1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1F)OC 587508702 ZUYITWIDACMGDT-DEOSSOPVSA-N 412.501 5.137 0 1 HKAF O=C1C[C@]2(CCN(Cc3ccccc3)c3ccccc32)Oc2c1ccc1c2CCCC1 587513002 HGYLSYFLJWOLEK-NDEPHWFRSA-N 409.529 5.836 0 1 HKAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN1CCC[C@H](C)C1 587515249 RLWYKMXSBYEBQL-HFJWLAOPSA-N 419.565 5.512 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2ccc(O)cc2)c1 587613337 YOVQSFYZTRDXGQ-JYFHCDHNSA-N 410.425 5.468 0 1 HKAF Clc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccccn2)cc1 587621947 QIOHGEFQLDTXER-UHFFFAOYSA-N 423.701 6.189 0 1 HKAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1cccc(Cl)c1C 587622071 WIUDUBVWXKVIOW-UHFFFAOYSA-N 417.694 5.329 0 1 HKAF Cc1ccc(O)c(C(=O)c2c(-c3ccc(Cl)cc3)[nH]c3ccc(F)c(Cl)c23)c1 587629227 ZCJIVIXKQPGBHB-UHFFFAOYSA-N 414.263 6.526 0 1 HKAF CCOC(=O)c1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2cc(Cl)c(F)cc12 587631675 GWLPGHSGZLSHOA-LBPRGKRZSA-N 424.900 5.252 0 1 HKAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)c1 587712786 QNXIDJFIXOXGIW-VVVCHXIZSA-N 418.228 5.239 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)c(Cl)cc2F)N1 587720474 RSCRDCJNOOJFNS-CQLKUDPESA-N 404.657 5.318 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(-c4ccc(OC)c(C)c4OC)[nH]c3c2)cc1 587788201 RAPVMTMMAOMNDW-UHFFFAOYSA-N 418.449 5.134 0 1 HKAF CCCOc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)CCC2 587789541 CMQCVDIZEKAOCV-WHEQGISXSA-N 418.350 5.489 0 1 HKAF CCC[C@H](OC)c1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587793871 NXFLCMPTOCGKPJ-YKAGIRRDSA-N 420.366 5.874 0 1 HKAF CCCc1ccc(OCC)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587801573 LTRJPMKODIFTEH-ASSNKEHSSA-N 406.339 5.563 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccs3)cc2)N1 587852850 NOTQQIKRUMBUJH-FKIZINRSSA-N 402.332 5.940 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1c(Cl)cccc1Cl 587873230 WKEUGCNHQIDCMJ-UHFFFAOYSA-N 410.301 5.640 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3ccc4c(c3)OCO4)n2)cc1 587923617 ZEDOGHYLEISATO-UHFFFAOYSA-N 414.461 6.493 0 1 HKAF COc1ccc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)cc1OCC(C)C 961614885 NITLVQMDWYQZEU-OAQYLSRUSA-N 416.359 5.260 0 1 HKAF COc1ccc2c(c1OC)[C@](Cc1ccccc1Cl)(c1ccccc1)N(C)[C@@H](C)C2 962636840 NMADXCALGLEAEN-QYBDOPJKSA-N 421.968 5.720 0 1 HKAF Clc1sc(Cl)c2c1CCC[C@]21NCCc2cccc(-c3ccccc3)c21 962659280 FOLSAKBFPZBFQW-JOCHJYFZSA-N 400.374 6.448 0 1 HKAF CCc1ccccc1-c1nc([C@@H]2NCCc3cnc4c(OC)cccc4c32)cs1 963037943 RDAHZTGFNYBFHA-QHCPKHFHSA-N 401.535 5.164 0 1 HKAF Cc1nnc2n1-c1ccc(C3=CCN(C)CC3)cc1[C@@H](Nc1ccc(Cl)cc1)CC2 1857550181 RQVPXHJNTDXPBJ-QFIPXVFZSA-N 419.960 5.047 0 1 HKAF O=C(O)/C=C/c1ccc(C2=C(c3ccc(O)cc3)CCSc3cc(F)ccc32)cc1 1857755958 WOGJMLXFQCHZRU-KGVSQERTSA-N 418.489 6.084 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1O)CC2=O 2356425756 QTEIROMZFSIGNG-QHCPKHFHSA-N 424.493 5.451 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2C[C@]34CC=C5CCCC[C@]5(C)[C@@H]3[C@H]4C[C@@]12C)C(C)C 2356616754 GAGAIBVZNQUTDY-PXVKUAPZSA-N 410.730 9.054 0 1 HKAF CC(=CCCc1coc(Cc2ccoc2)c1)CCC=C(C)C[C@@H]1OC(=O)C(C)=C1O 2356641111 DHGXHXHBAJWWPD-QHCPKHFHSA-N 410.510 6.216 0 1 HKAF CCC1=C[C@](C=Cc2ccccc2)(CC)[C@](CC)(C(=O)O)[C@@H]2[C@H](C)C(=O)[C@H](CC)[C@H]12 2356681146 IJBZGABOCOJLTC-HEIKKJSNSA-N 408.582 6.405 0 1 HKAF CC=C(C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C)C(C)C 2356690211 OZNMJHSEUFVTTG-IKZWERGWSA-N 408.670 7.641 0 1 HKAF Cc1ccccc1N1C(SCc2c(C)noc2C)=NN/C1=C1\C=Nc2ccccc21 104012464 TUZXZGJCHRZMAD-PYCFMQQDSA-N 415.522 5.299 0 3 HKAF C[C@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)C4=CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 299872633 QCVKYDNFSXDPSW-NTXOCVMDSA-N 414.630 5.714 0 3 HKAF in-vitro CCCC(CCC)N1C[C@@H]2CCN(c3ccc(Cl)cc3Cl)c3nc(C)nc1c32 3988331 VJJBGPHBOZISOV-HNNXBMFYSA-N 419.400 6.506 0 1 HKAF CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc(O)c1[nH]c3c(c12)CCCC3 5844633 KPPLKOAYRJBPAO-UHFFFAOYSA-N 402.494 5.490 0 1 HKAF Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(N3CCCCC3)ccc12 5891710 TVEGKWWBEIDWHH-UHFFFAOYSA-N 404.558 5.404 0 1 HKAF CC1(C)c2cc(O)ccc2CC[C@H]1N(C/C=C/c1ccccc1)C/C=C/c1ccccc1 13583938 YWXSTYXWHKOZCD-OEFBJNTDSA-N 423.600 6.713 0 1 HKAF Clc1ccc(-c2nc(-c3ccccc3)nc3nc(C4CCCCC4)[nH]c23)cc1Cl 13686559 XPWCKGZFGSNHOU-UHFFFAOYSA-N 423.347 7.041 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCCC[C@H](P(=O)(O)O)[P@](C)(=O)O 13742048 HLSKAJYMVHWBBB-GBPSIXAASA-N 420.467 6.370 0 1 HKAF CC(C)=CCn1c2c(ccc1=O)[C@H](NCCc1ccc(Cl)cc1Cl)CCC2 13743307 ZKQVLGQGABNQSV-HXUWFJFHSA-N 405.369 5.331 0 1 HKAF O=C(O)COc1c(C(=O)O)sc2c1sc1c(NC3CCCCC3)cccc12 14955036 YGTQBMCRNSVQPU-UHFFFAOYSA-N 405.497 5.022 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1c[nH]c(-c2ccccc2)n1 26995288 JVUNQIZFNNFUQK-XNTSIQLJSA-N 416.609 6.484 0 1 HKAF CCC[C@H](O)CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28528070 GUDLCZGAURQOQZ-QFIPXVFZSA-N 407.533 5.223 0 1 HKAF Clc1cccc([C@@]2(Cn3ccnc3)OC[C@H](c3ccc(Cl)cc3Cl)O2)c1 28768795 HHVFSVVMSSBGEL-MOPGFXCFSA-N 409.700 5.484 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)CCC1 29570108 XILISIALPJYAMY-AOYOZJAJSA-N 413.602 6.134 0 1 HKAF Cc1ccc(O)cc1CC[C@H]1[C@@H]2CC[C@H]([C@H](C)CCCC(C)C)[C@@]2(C)CC[C@H]1O 33820668 RAIDHOLJIAWOMY-DKQGWWAXSA-N 400.647 6.899 0 1 HKAF CCCc1cc(N)c2cc(NC(=O)NCc3ccc(C(F)(F)F)cc3)ccc2n1 34270638 QOFDDZVFIJZRMJ-UHFFFAOYSA-N 402.420 5.110 0 1 HKAF CCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCC3=CC(=O)CCC3=C12 34799884 QPIUHLBKRNGNER-PKQHSRECSA-N 412.658 7.310 0 1 HKAF OCCN1CCC(c2ccc3c(-c4ccncc4)c(-c4ccc(F)cc4)[nH]c3c2)CC1 40428717 XSXZCGAGBCHSBX-UHFFFAOYSA-N 415.512 5.208 0 1 HKAF CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(F)cc12 40863869 PJJKQPRNXHWOEQ-UHFFFAOYSA-N 400.453 5.205 0 1 HKAF Clc1ccc(Nc2nc3ccc(Cl)cc3nc2Nc2ccc(Cl)cc2)cc1 45201842 ASMALFZIYJONMH-UHFFFAOYSA-N 415.711 7.077 0 1 HKAF CC(C)=CCC/C(C)=C/[C@@H](Cc1ccccc1)NCCNC1C2CC3CC(C2)CC1C3 45260310 KWLWOGDCAMISSC-JRVPRHKXSA-N 420.685 6.294 0 1 HKAF O=C(O)Cc1sc(Nc2ccc(C(F)(F)F)cc2)nc1-c1ccc(Cl)cc1 45358198 MWFNGBNNKZYXKV-UHFFFAOYSA-N 412.820 5.853 0 1 HKAF NC(=O)c1sc2nc3c(c(-c4ccc(Cl)c(Cl)c4)c2c1N)CCCCCC3 49069294 CZAUGMIDUYZWHR-UHFFFAOYSA-N 420.365 5.610 0 1 HKAF O=C(O)c1c(O)c(C2(c3ccccc3Cl)CC2)nc2c(C(F)(F)F)cccc12 58568587 JGSWEULRSNETKL-UHFFFAOYSA-N 407.775 5.391 0 1 HKAF C[C@@H]1CCCC(=O)N[C@@H](c2ccccc2)[C@H](C)CCCC(=O)N[C@@H]1c1ccccc1 66148518 VXISWQYLXNBKND-JHESGUABSA-N 406.570 5.328 0 1 HKAF O=C(NCCOC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 68586595 ZYXSZGQMCTYNMS-UHFFFAOYSA-N 402.665 5.017 0 1 HKAF biogenic CCOc1ccccc1CNc1cc(Oc2ccc3oc4ccccc4c3c2)ncn1 82068277 YAAICUOYJGDIKL-UHFFFAOYSA-N 411.461 6.179 0 1 HKAF O=C(c1ccccc1)c1ccc(Oc2cc(NCc3ccccc3Cl)ncn2)cc1 82068302 VIJWFHLBQRLPJR-UHFFFAOYSA-N 415.880 5.765 0 1 HKAF CC(C)c1cccc(Nc2nccc3c2cc(-c2ccc(C(=O)N(C)C)cc2)n3C)c1 82082537 YSKWJQPWHLBIRM-UHFFFAOYSA-N 412.537 5.809 0 1 HKAF O=C(O)C[C@@H]1O[C@H](c2cccc(Cl)c2Cl)c2cc(Cl)ccc2-n2cccc21 84687294 KZNFCNOMKJYOAD-FXAWDEMLSA-N 422.695 6.073 0 1 HKAF CC/C=C/C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 85617179 SOQKXJABGLKWQX-IJNKUWTBSA-N 408.626 8.442 0 1 HKAF O=C(O)[C@H]1CCCN(CCC/C=C/c2ccccc2-c2ccc(F)cc2Cl)C1 95596516 LHMNBEHHZZXDQX-OMIQGHKFSA-N 401.909 5.736 0 1 HKAF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1CC(=O)[C@@]3(C)CC[C@]12C3 95912425 GHPIXCFNRDYEIY-GOBAYKAJSA-N 424.581 5.185 0 1 HKAF biogenic,in-vitro CC(C)Cc1csc(Nc2ncc(Br)cc2OCc2ccccc2)n1 96284836 AZHQCRYKKFEFTI-UHFFFAOYSA-N 418.360 5.822 0 1 HKAF Fc1ccc(C(OC2C[C@H]3CC[C@H](C2)N3Cc2ccccc2)c2ccc(F)cc2)cc1 100759002 YDSZXMRCXLHXST-JWQCQUIFSA-N 419.515 6.266 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(-c4ccc(SC)cc4)cc1)CN32 101038429 VBCBQYQOZQQZBS-LRWFKCSHSA-N 405.563 5.115 0 1 HKAF CC(C)CNC(=O)c1c(N)sc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 103143743 ZFCIRXLMKDIPEU-UHFFFAOYSA-N 419.377 6.357 0 1 HKAF Cc1ccc(-c2cc(C(=O)Oc3ccc(C(C)C)cc3)n(Cc3ccccc3)n2)cc1 103184667 ZPLKWKDCQIUZOD-UHFFFAOYSA-N 410.517 6.249 0 1 HKAF C[C@H]1C[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)OC(=O)[C@@H]1C 118913577 JAVFSUSPBIUPLW-JLEUUIKQSA-N 414.674 7.259 0 1 HKAF biogenic,in-vitro O=C(N[C@@H]1CCc2ccc(O)cc2[C@@H]1Cc1ccc(Cl)cc1)OCc1ccccc1 140472434 VPUSKBZBCKVJSQ-BJKOFHAPSA-N 421.924 5.613 0 1 HKAF O=C(Nc1ncc(-c2cc3scnc3cc2Cl)s1)c1c(F)cccc1F 142576549 WOOMWEGUCJOEIV-UHFFFAOYSA-N 407.854 5.604 0 1 HKAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2ccccc2)c1 167411054 FWSUADRGLVSKNN-XMSQKQJNSA-N 401.506 5.481 0 1 HKAF NC1(c2ccc(-c3nc4c(-c5cn[nH]c5)cccn4c3-c3ccccc3)cc2)CCC1 199433479 SUOJVVLUIMLFQX-UHFFFAOYSA-N 405.505 5.396 0 1 HKAF CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@@H]3CC[C@@H]12 238734072 KYWPVKUAXXEYKR-PFGWVKKGSA-N 416.646 6.128 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@@H]3[C@H]4CCC5=C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 255208448 DWCSNWXARWMZTG-ZXZJUUDWSA-N 414.630 5.714 0 1 HKAF CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255224129 KUVJXIWTCCCGQO-MVXKOIRNSA-N 400.691 7.491 0 1 HKAF Clc1cc(Cl)cc(-c2nc3ccc(Nc4ncnc5ccccc45)cc3[nH]2)c1 299829982 NFUJDXWCRNNROI-UHFFFAOYSA-N 406.276 6.224 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2c1 586884448 IHKYQBNEJJJQJD-FZKQIMNGSA-N 407.233 5.716 0 1 HKAF Oc1c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)ccc2c1CCCC2 586897757 IXWCDTXZLUJRPD-UHFFFAOYSA-N 411.221 5.596 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(N4CCCC4)cc3O)nc3ccc(O)c1c23 586988641 UKBHIYKJZLPUJB-UHFFFAOYSA-N 408.457 5.125 0 1 HKAF O=C(O)CC1=C(c2ccccc2)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990056 IJHIYUWXZMPFQQ-UHFFFAOYSA-N 419.436 5.093 0 1 HKAF Nc1c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)sc2cc(Br)ccc12 587033627 ZDHVJRTWVZBFFZ-UHFFFAOYSA-N 413.222 5.203 0 1 HKAF COc1cc(/C=C\c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc(Cl)c1OCC(C)C 587046802 MMOVJAVQABCSKX-ANIGNSTFSA-N 414.893 5.154 0 1 HKAF O=C(CCCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1ccc(Cl)cn1 587082647 UWKIEUXQSQSMAR-UHFFFAOYSA-N 402.203 5.489 0 1 HKAF CCOC(=O)[C@H](Cc1cccc(C)c1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106620 MKAWLZLINRTRGL-HSZRJFAPSA-N 421.496 5.644 0 1 HKAF Fc1ccc(Oc2ccc(-c3nc4cccc(Cl)c4[nH]3)cn2)c(Br)c1 587161271 OGGOHJDZTYYTAG-UHFFFAOYSA-N 418.653 5.972 0 1 HKAF CC(C)(C)c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 587183323 CJBNUEJXUDAJHR-JXMROGBWSA-N 402.279 5.635 0 1 HKAF CC(C)[C@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329369 DVHGRZJBPSJGAY-LADGPHEKSA-N 412.407 5.720 0 1 HKAF C[C@@]1(c2cc3cc(F)ccc3[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335008 NLFRJBBVQUKZHE-UPVQGACJSA-N 405.400 5.426 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCOc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 587336505 YNHLXHZXIYVEAE-VWNXMTODSA-N 424.855 5.612 0 1 HKAF CCOc1ccc([C@@]2(c3ccc(Cl)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587379972 ZNCGPXOYRUMCLV-DEOSSOPVSA-N 407.897 5.538 0 1 HKAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccccc1C 587401323 WASXRYZAWSAHBT-DEOSSOPVSA-N 417.505 5.570 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(Br)c[nH]c3c1)CC2=O 587459284 NSGZZCJWTTXEGB-IBGZPJMESA-N 400.272 5.295 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1ccc(Cl)cc1)(c1ccc(F)cc1)CC2=O 587468359 UPHKSGIVSXJNOP-VWLOTQADSA-N 424.899 6.241 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(=O)c3ccccc3)cc1)CC2=O 587476791 FWRCNTVFALHUJI-QHCPKHFHSA-N 402.446 5.270 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccco3)oc3ccc(O)cc13)CC2=O 587483110 REWHVDUSKJJNLC-NRFANRHFSA-N 404.418 5.763 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1c(C)[nH]c3ccccc13)CC2=O 587485165 PXHZXOIJWSDPQO-MHZLTWQESA-N 411.501 6.043 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1csc3c(Br)cccc13)CC2=O 587496052 RDVXKUCOQOPPOR-SFHVURJKSA-N 417.324 6.028 0 1 HKAF CSC[C@@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502701 ATDCNQJNHWHNDG-OAQYLSRUSA-N 406.469 5.808 0 1 HKAF O=C1C[C@H](c2cc3cccc(C(F)(F)F)c3s2)Oc2c1ccc1c2CCCC1 587507372 LWFBEACAQTUDCR-GOSISDBHSA-N 402.437 6.505 0 1 HKAF O=C1C[C@@](c2cc(F)ccc2F)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 587508463 VROBXBNECHRIFW-VWLOTQADSA-N 424.874 6.406 0 1 HKAF CC(C)(C)OC(=O)N1[C@H]2CCC[C@@H]1C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587518272 DPPLLVZHWVLYOJ-LWDWJGHZSA-N 411.542 5.221 0 1 HKAF COc1ccc([C@@]2(c3ccccc3OC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525602 QSZCWJZOZXFTDT-HHHXNRCGSA-N 414.501 5.492 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(OC(F)(F)F)ccc1F 587553147 DXCQIKGXOIFWHZ-XLIONFOSSA-N 420.314 5.133 0 1 HKAF CCOc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(C)C 587596051 MZWQYGPTWPUJDW-BVAGGSTKSA-N 418.489 5.926 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccccc1O 587607038 GTLFCMPRUZCMRL-ZEQKJWHPSA-N 410.425 5.003 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(C2CC2)oc2ccc(O)cc12 587619793 ZHTRDAPJGYLPLC-OFVILXPXSA-N 414.413 5.424 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3)c(-c3ccc4ccccc4n3)c2c1 587643068 AYJAXXOANYWEOJ-GOSISDBHSA-N 406.529 7.572 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(Cl)c3)o2)N1 587697423 GLZMMVXYGWRINS-GIPWTMENSA-N 420.709 6.125 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2ccc(Cl)cc2)N1 587700206 LYMRMWQXMHHHMT-NSPYISDASA-N 410.714 5.264 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)ccc(Cl)c2F)N1 587715576 IFBNYJVCEIACIE-WNWIJWBNSA-N 404.657 5.318 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OC(F)F)N1 587717215 KSSZVRJYYYZVAH-ZKANADHPSA-N 420.656 5.467 0 1 HKAF COc1cccc(OCc2ccc(-c3nc4c(C)cc(Br)cc4[nH]3)cc2)c1 587780950 NALHYYCGUDGPLZ-UHFFFAOYSA-N 423.310 5.888 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccs2)N1 587853195 PMJNHDYYSAXERH-RNODOKPDSA-N 402.332 5.476 0 1 HKAF COc1ccc(/C=C/Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(OC)c1 587930208 QXQOJTXPJPPVHH-ONEGZZNKSA-N 412.795 5.388 0 1 HKAF CCCCc1ccc(-c2ccc(-c3noc(Cc4c[nH]c5ccccc45)n3)s2)cc1 653691056 DWEBGRFLJHYEAN-UHFFFAOYSA-N 413.546 6.880 0 1 HKAF Cc1c(F)ccc2c1[C@@H](CC1(NC(=O)OC(C)(C)C)CCCCCCC1)NCC2 962369851 BKKVPRQFHNPNJC-HXUWFJFHSA-N 404.570 5.719 0 1 HKAF COc1ccc2c(c1OC)[C@@H](c1cc(C(C)(C)C)cc(C(C)(C)C)c1)N(C)[C@H](C)C2 962637739 TYXORDARRUGZNQ-MZNJEOGPSA-N 409.614 6.265 0 1 HKAF COc1ccc2c(c1)[C@H](c1cn(-c3ccc(C)cc3)nc1C(C)(C)C)N[C@H]1CC[C@@H]21 962998336 VJJILSXSNRZDCU-NKKJXINNSA-N 401.554 5.425 0 1 HKAF CN1C(=O)C[C@H]2CN[C@](CCc3ccc(Cl)cc3)(C3CCCC3)c3cccc1c32 963038686 XVIFWKFDJCPKER-AVRWGWEMSA-N 408.973 5.412 0 1 HKAF CCC(C)(C)[C@@]1(c2ccc(Cl)c(F)c2)NCCc2cc3cccc(OC)c3nc21 963050382 CWQGAYAGHLQHNE-DEOSSOPVSA-N 412.936 5.861 0 1 HKAF CSC(=C[C@]1(c2ccccc2C)NCCc2c(Cl)cc(Cl)cc21)SC 963108342 NRNRZGCOKPEUAZ-HXUWFJFHSA-N 410.435 6.259 0 1 HKAF CC[C@]1(c2cccc(F)c2C)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963188756 WMJNRUDBLHLOFJ-HNAYVOBHSA-N 415.814 5.059 0 1 HKAF O=C(c1ccc2ccccc2c1)n1nc(OCCCN2CCCCC2)c2ccccc21 1857567255 HGHKJJKBOAWWGM-UHFFFAOYSA-N 413.521 5.133 0 1 HKAF Oc1ccc2c(c1)CCc1ccc(cc1)Oc1cc(ccc1O)C=Cc1cccc(c1)O2 1857743562 ZIAOKNKVXBSSQQ-UHFFFAOYSA-N 422.480 6.951 0 1 HKAF CCOP(=O)(OCC)[C@H](Nc1cccc(C)c1)c1cc2cc(C)ccc2nc1O 1857768510 AAYMAAIVYBWTEG-QFIPXVFZSA-N 414.442 5.934 0 1 HKAF CC[C@H](C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356596526 KBCUEZZDVQYXRC-DCLREGFHSA-N 414.718 8.025 0 1 HKAF CC(=CCCC1=CC(=O)O[C@H]1O)CCC=C(C)CCC1=C(C)[C@H](O)CCC1(C)C 2356625999 HIRZCXOPFLDJON-ISKFKSNPSA-N 402.575 5.519 0 1 HKAF CC(=O)OCc1cc(O)c2c(c1C=O)O[C@@](C)(CCC=C(C)CCC=C(C)C)C=C2 2356867796 WWIDNJFIFUIKER-VWLOTQADSA-N 412.526 5.905 0 1 HKAF CC[C@H](C(=O)Nc1c(C)cccc1C)n1c(-c2cc(C)cs2)nc2ccccc21 95605183 OZPMDGCQCCQGDE-LJQANCHMSA-N 403.551 6.280 0 3 HKAF CC(C)C[C@@H](CCCc1ccccc1)CCC(=O)N(c1ccccc1)c1ccccc1 203473114 VBVRHKZUNOHZTC-SANMLTNESA-N 413.605 7.817 0 3 HKAF CC(C)c1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@@H](C)C(C)C)cc1 2481805 WRWDUAWGEYPLOM-INIZCTEOSA-N 410.945 6.560 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCc1cccs1 13470871 JVBGBRBEKHETSN-DOFZRALJSA-N 400.628 7.937 0 1 HKAF CCOc1ccc(Cl)cc1OC[C@H]1CN(Cc2ccc(Cl)cc2)CCCO1 13579693 DEKFKFAOVDZGOY-LJQANCHMSA-N 410.341 5.062 0 1 HKAF Fc1ccc(F)c(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 27548374 PKFHCOCRXHWTGR-SVBPBHIXSA-N 419.515 5.776 0 1 HKAF C[C@H](c1ccccc1)n1c(NC2CCN(CCc3ccccc3)CC2)nc2ccccc21 29566222 RAAPCJPEIOLORX-JOCHJYFZSA-N 424.592 5.765 0 1 HKAF CC(C)=CCc1c2c(c(O)c3c1O[C@H](c1ccc(O)cc1)CC3=O)C=CC(C)(C)O2 34165799 PDTJZCUQXSFLDW-FQEVSTJZSA-N 406.478 5.497 0 1 HKAF biogenic,in-vitro COC(=O)[C@]1(C(C)C)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1 40414030 PJWSQKSBFJTPTP-SHQCIBLASA-N 412.533 5.258 0 1 HKAF Cc1ccc2cc(CC3CCN(C(=O)c4cccc(-c5cn[nH]c5)c4)CC3)ccc2n1 49113548 WCRNDBRLPAGMFN-UHFFFAOYSA-N 410.521 5.028 0 1 HKAF O=C(NC(c1ccccc1)c1ccccc1)c1ccc(-c2cccc3[nH]ccc23)s1 58568769 XYSQJZPYJSUBGF-UHFFFAOYSA-N 408.526 6.416 0 1 HKAF CCCN(CCC)c1cc(N(CCC)c2ccc(OC)cc2Cl)nc2ccnn12 72142457 TYRNCUHSSUEMJB-UHFFFAOYSA-N 415.969 5.566 0 1 HKAF CC[C@@H](C)[C@@H](NCc1cccc(C)c1)c1nc(-c2ccccc2)c(N2CCCCC2)o1 72186309 HPDABLZTKGCWJC-ZJSXRUAMSA-N 417.597 6.517 0 1 HKAF O=C(NCc1ccccc1-c1ccccc1)[C@@H]1CCCN(CCCc2ccccc2)C1 73197133 WOUXZHGLRQTXSF-AREMUKBSSA-N 412.577 5.315 0 1 HKAF CCC/C=C/C[C@@H]1C/C=C\C=C(C)/C=C\C=C/[C@@H](O)[C@H](O)/C=C(C)\C=C/C=C\C(=O)N1 100305365 ALYLZDHKQZUVDF-NVVSIXARSA-N 423.597 5.017 0 1 HKAF in-vitro CC[C@H](C)Sc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1cccc(OC)c1 100703508 LJKQSKJROLDMDZ-YVEFUNNKSA-N 411.527 5.295 0 1 HKAF C[C@@H]1[C@@H]2C3=CC(Br)=CC[C@H]3[C@H](Cc3ccc(Br)cc32)N1C 100931735 BWBSBIOMYIQVMH-LVGLEIPYSA-N 409.165 5.016 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2ccccc2)n1 103258130 GVSNKGIZAYGOSN-NRFANRHFSA-N 402.494 5.020 0 1 HKAF CCCCNC[C@H](O)c1cc(-c2ccccc2C(F)(F)F)nc(C(F)(F)F)c1 142788847 KYQDDQIGMSAHJB-INIZCTEOSA-N 406.370 5.209 0 1 HKAF COC(=O)[C@]1(c2ccccc2)C[C@@H]1CN1[C@@H]2C=C(c3ccc(Cl)cc3)C[C@@H]1CC2 169348352 ZVHCIKGTRQHMOV-GIQJJWITSA-N 407.941 5.091 0 1 HKAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccc(F)c(Cl)c4)ncc23)ccn1 205425446 AHBGIJMOFOCQQQ-GFCCVEGCSA-N 424.867 5.004 0 1 HKAF C[C@H](Nc1c(F)ccc(OCC(=O)O)c1F)c1cc(-c2cccc(F)c2)ccc1F 206898258 ZVLBYOJGKRWUDA-LBPRGKRZSA-N 419.374 5.547 0 1 HKAF CC1(C)OC[C@]2(C[C@@]34CC[C@@]5(C)[C@@](C)(CCC[C@@]5(C)C(=O)O)[C@]3(C)CC[C@@H]2C4)O1 238778950 DAKMSHJUXZBDNR-SICZZEHKSA-N 404.591 5.786 0 1 HKAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](NCCCc3ccccc3)CC[C@H]12 299872449 WAVOKPPRKZTUNS-FXGKLIOSSA-N 403.610 6.142 0 1 HKAF aggregator COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 586918612 ZFJQTKHMNVTACH-IBVKSMDESA-N 412.489 5.358 0 1 HKAF Cc1cc(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)ccc1Br 586978199 YYBZVKVLGYKFRM-UHFFFAOYSA-N 419.628 5.777 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(Cl)c(Cl)c4O)nc13)-c1ccccc1C2=O 586991749 ALALKZMDVJHVGY-UHFFFAOYSA-N 406.268 6.434 0 1 HKAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccnc(Cl)c2[nH]1 587018581 INLGPCHNPVFQNM-UHFFFAOYSA-N 423.756 6.368 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(F)cc(F)c2[nH]1)c1cccc(Cl)c1 587071220 KSOFNPRFIYUKJS-HNNXBMFYSA-N 407.848 5.303 0 1 HKAF COC(=O)c1cccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587071858 SXRWZZWYVQLZIY-RAXLEYEMSA-N 418.880 5.752 0 1 HKAF CCCOc1cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2cc1Br 587084804 IIXKBRJHAOMPOZ-UHFFFAOYSA-N 416.706 5.983 0 1 HKAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 587121404 BEGWSADOCXZUGG-UHFFFAOYSA-N 413.186 5.687 0 1 HKAF Fc1cc(F)c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1Br 587136615 SRPTWCQCBWVLPX-UHFFFAOYSA-N 415.237 5.850 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)ccc2F)cc1 587139202 BEESOFLTFDQELW-UHFFFAOYSA-N 400.787 6.170 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1F 587151936 VSQPLOXALQUNNL-KRWDZBQOSA-N 406.219 5.711 0 1 HKAF Cc1c(-c2nc3ccc(Br)c(O)c3[nH]2)cc(-c2ccc(F)cc2)n1C 587166396 YNLIZSUDMRQNQZ-UHFFFAOYSA-N 400.251 5.151 0 1 HKAF CC(C)(C)[C@@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357943 XEXNPIVEYGYROY-OZXSUGGESA-N 404.481 5.918 0 1 HKAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cccc(C)c1C 587399911 MZMCIRNUNNSSBU-RUZDIDTESA-N 417.505 5.488 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(Cl)cc(Br)cc1Cl)[C@@H](C2)C3=O 587411497 CQVXJAOPDWFQOH-BTDLBPIBSA-N 414.082 5.253 0 1 HKAF COc1cc2c3c(c1)O[C@@]1(C[C@H](C)CCc4ccc(Br)cc41)[C@@H](C2)C3=O 587420663 YUHWFOVNUNXZSV-RZVZBCHOSA-N 413.311 5.073 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1ccc(OC)cc1)CC2=O 587459491 DQUXTLLHWLFMCF-VWLOTQADSA-N 422.908 5.916 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C)=COc2c(Cl)cc(Cl)cc21 587461551 KYTZTJOFFUGICS-NRFANRHFSA-N 405.277 5.808 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(C=C(c3ccccc3)Oc3ccc(N)cc31)CC2=O 587473340 SEYMURQUAHABAO-SANMLTNESA-N 413.473 5.221 0 1 HKAF CN(C)/C=C\[C@]1(c2cc(Cl)cc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587500759 ODGRZTDYZLWWGE-DJYGDJEFSA-N 416.348 5.808 0 1 HKAF O=C1C[C@](c2ccccc2)(c2ccccc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587503803 CUOGCSNCWGMBJM-VWLOTQADSA-N 422.446 6.493 0 1 HKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1Sc1ccc(Cl)cc12 587537394 DTVPFUMKZWJXNQ-RUZDIDTESA-N 418.945 6.592 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(SC(F)F)cc1 587553169 FAMLRPBTOSJFSB-PXNSSMCTSA-N 400.402 5.410 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)c3ccc(OC(F)F)cc3)c(C(F)(F)F)[nH]c12 587624680 RIZQRIKVBHKHQB-UHFFFAOYSA-N 403.734 5.981 0 1 HKAF COc1ccc(C(=O)c2c(C(F)(F)C(F)(F)F)[nH]c3ccc(F)c(Cl)c23)cc1 587629910 NICOJZMLHAZKNP-UHFFFAOYSA-N 421.724 5.854 0 1 HKAF Cc1ccc(F)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1Cl 587722165 RMGUYHFNHXYGHK-YPMLDQLKSA-N 400.694 5.487 0 1 HKAF CC(=O)c1cccc(CC[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F 587730778 YAGNGUGOATUGSQ-PIGZYNQJSA-N 408.286 5.138 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCN(Cc3ccccc3)C2)N1 587766527 NVHPSDYORQWRHT-KSFYIVLOSA-N 417.366 5.004 0 1 HKAF CCc1ccc(-c2cnc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 587774682 NTXALPSULLKQEW-MPBGBICISA-N 415.306 5.429 0 1 HKAF Brc1ccnc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc12 587784722 VGNKCSSIMPCFAD-DHZHZOJOSA-N 406.283 5.470 0 1 HKAF CCOC(OCC)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587794573 OYTQRHVXRDBDCV-RBZFPXEDSA-N 422.338 5.283 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccs3)s2)N1 587849688 VIVSDTNXODVWSE-XTZNXHDOSA-N 408.361 6.002 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCc1ccccc1O 587858871 OEOXPLUGMPFBRG-UHFFFAOYSA-N 405.281 5.234 0 1 HKAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 587936702 LQHGGRWUGGTZRN-PEBXRYMYSA-N 415.518 5.685 0 1 HKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587951762 PORWESCTBRDYQG-NSHDSACASA-N 406.791 6.408 0 1 HKAF Ic1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587955187 HCFPSEFSKOKINX-GOSISDBHSA-N 424.285 5.542 0 1 HKAF COc1ccc2c(c1OC)[C@@]1(C(C)=COc3c(Cl)cc(Cl)cc31)N(C)[C@H](C)C2 962631068 IZQOGIGTEHEGEL-DMZKTXOQSA-N 420.336 5.427 0 1 HKAF COc1ccc(Cl)cc1[C@]1(CC(C)C)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962634341 UALSARHKVUGIIS-UPCLLVRISA-N 417.977 5.532 0 1 HKAF CC(C)(C)[C@@]1(c2cccs2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962646047 SLZWPXXHXNLRGX-NVQXNPDNSA-N 402.607 5.785 0 1 HKAF Cc1nc([C@@]2(C(F)(F)F)NCCc3cccc(-c4ccccc4)c32)c2ccccn12 962658863 DYAFAJHGAHAOKL-QHCPKHFHSA-N 407.439 5.261 0 1 HKAF COc1cccc(CC[C@]2(c3ccc(SC)cc3)NCCc3ccc(O)cc32)c1 963353826 UKAXKGBJPXSVCO-RUZDIDTESA-N 405.563 5.145 0 1 HKAF COc1c(Cl)cccc1-c1cc(Cl)cc([C@@H](CC(=O)O)c2ncc(C)s2)c1 1772649250 GENQBBKPQLLROF-MRXNPFEDSA-N 422.333 6.041 0 1 HKAF C[C@H](c1cccc(F)c1)n1nnc2cnc3ccc(-c4c[nH]c5nccc-5c4)cc3c21 1857539488 ATVQADXXYYXIDQ-CQSZACIVSA-N 408.440 5.223 0 1 HKAF COc1cc2c(c3c1C(=O)C[C@@H](c1ccccc1)O3)C=C[C@@](C)(CCC=C(C)C)O2 1857606195 QDMIUSBLODILIC-HFZDXXHNSA-N 404.506 6.312 0 1 HKAF CC(=O)c1ccc(-c2ccc3c(C(=O)Nc4cccc(F)c4)cc(O)nc3c2)cc1 1857645434 PDFJDNGZYLSYGK-UHFFFAOYSA-N 400.409 5.201 0 1 HKAF Fc1ccc(-c2cc3c(=Nc4cccc(OCc5ccccc5)c4)nc[nH]c3[nH]2)cc1 1857748127 DSNFUFNIAOYESI-UHFFFAOYSA-N 410.452 5.509 0 1 HKAF CC1=C[C@H](CNC(=O)C2CCCCC2)[C@@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 2356309304 WITRYHSZUCBDTN-YTFSRNRJSA-N 421.629 5.965 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCCC1=CC[C@H](C2=CC(=O)O[C@@H]2O)O[C@H]1O 2356563495 GIRSFGZJCQRVIO-GPXOXTDOSA-N 416.558 5.021 0 1 HKAF CC(C)CCC[C@](C)(O)[C@@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356675335 RJXRRUHNMZQRFL-AHUTXLFCSA-N 416.646 5.971 0 1 HKAF C[C@@H](CC[C@H](C)C(C)(C)O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356738572 VTJZYXUUWSKREG-HCNICFQSSA-N 416.690 6.750 0 1 HKAF Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1C=C[C@H](OC(=O)N[C@H](C)c2ccccc2)C1 2356810583 AYYVZKYDDGHPSJ-LQNXUBFPSA-N 419.500 5.528 0 1 HKAF CC(C)(C)c1ccc(C(=O)N2CC[C@@]2(C)C(=O)NCc2cccc3ccccc23)cc1 61925893 IHOANIWAGMZQRC-MHZLTWQESA-N 414.549 5.058 0 3 HKAF CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 4215642 ACBMSPMHMQVVQG-DHIUTWEWSA-N 410.558 5.907 0 1 HKAF CCCc1nc(C(C)C)c(C(=O)O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 13745623 XHISRMRFXXRDLA-UHFFFAOYSA-N 406.482 5.071 0 1 HKAF C/C(=C\CC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1)CO 14767791 CAGBDTBNTAQAEH-IBWALAQESA-N 412.614 6.956 0 1 HKAF COc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=S)N2c2ccc(OC)cc2)cc1 26748609 LLNREPYFJOAISJ-JWQCQUIFSA-N 417.574 6.232 0 1 HKAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cccc2ccccc12)C(F)(F)F 28862447 YTDDWWZHOSEAOO-QHCPKHFHSA-N 420.446 6.191 0 1 HKAF COc1cccc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)c1 28885968 PJOPOUWRRPPODZ-RRPNLBNLSA-N 420.597 5.232 0 1 HKAF CCOC[C@@H](Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC)c1ccccc1 28956235 ZYVUTMAUPHRUIF-OAQYLSRUSA-N 406.530 5.287 0 1 HKAF CC(C)c1cccc(C(C)C)c1N1CN[C@@H](C(c2ccccc2)c2ccccc2)C1=O 34803568 VLOWCQLKTAXPKF-SANMLTNESA-N 412.577 6.028 0 1 HKAF CC(C)CCN1CCC(Oc2ccc(NC(=O)c3ccsc3)cc2Cl)CC1 45209920 SIYNDURDEOIFLV-UHFFFAOYSA-N 406.979 5.543 0 1 HKAF CC[C@H]1CCCCN1c1nc(NC2CCCCC2)nc(Oc2ccc(OC)cc2)n1 82066721 RGAZACKVWDZEQE-SFHVURJKSA-N 411.550 5.186 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccc(C)o2)nc2c(NCCCc3ccccc3)ncnc21 82179949 KPHZLANZHCFNFV-QGZVFWFLSA-N 403.530 5.486 0 1 HKAF COc1ccc2c(c1)C(=O)c1c-2c(Nc2ccc(F)c(Cl)c2)nc2ccccc12 84653726 RWYHMUAWEFFAMB-UHFFFAOYSA-N 404.828 5.991 0 1 HKAF CC(C)Cc1ccc([C@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)cc1 84713292 FLWKEBNPNOJZFO-IBGZPJMESA-N 402.969 7.088 0 1 HKAF O=C(Nc1ccc(SC(F)(F)F)cc1)Nc1cc(Cl)c(Cl)c(Cl)c1 95591096 SPIRYTXBRBPKQR-UHFFFAOYSA-N 415.651 6.903 0 1 HKAF CC(C)CC[C@H]1CCCCCCc2c1oc(O)c([C@@H](c1ccccc1)C1CC1)c2=O 100712808 NTGVRTZESMZGOJ-GGAORHGYSA-N 408.582 6.914 0 1 HKAF Clc1ccccc1N1[C@H](c2ccccc2)[C@]12C(c1ccccc1)=Nc1ccccc12 103276060 ASEADESIJRXCAJ-QERCTFSXSA-N 406.916 6.931 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccc3c(c2)OCO3)C[C@H](c2ccccc2)C1 103868094 DZOUCPLVTYOZJJ-HFJWLAOPSA-N 410.473 6.044 0 1 HKAF C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5CCC[C@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 118913779 KPAQIOMLWLLNBY-AQTFDDKESA-N 416.646 5.794 0 1 HKAF Cc1ccc(NC(=O)C2CCC2)c(F)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 144444086 KUXJYRWVDPRJJZ-UHFFFAOYSA-N 417.484 5.436 0 1 HKAF Cc1cc(C(=O)O)ccc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C 169351417 OEWHGJIKBWWFSY-UHFFFAOYSA-N 414.498 5.174 0 1 HKAF Cc1ccc2c(c1)N[C@H](c1c(F)cccc1Cl)[C@@H]1C(=O)CC3(CCCC3)CC1=N2 169722014 RAPQXGOFQFJBAA-XZOQPEGZSA-N 410.920 6.566 0 1 HKAF COc1cccc(N2C(=O)[C@H]3C[C@H](CC(C)(C)C)c4c([nH]c5ccccc45)[C@@H]3C2=O)c1 195476273 QRWXHCBPNZPYER-QOEFQVSFSA-N 416.521 5.373 0 1 HKAF CC[C@]12CCCC(C)(C)[C@@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@]2(C)C3=C(CC[C@H]21)[C@@H](C)OC3=O 299861943 IWRWTZUVBMXROH-RDMJDEGGSA-N 414.630 6.048 0 1 HKAF O=C(O)c1ccc(-c2cn3ccnc(-c4c(Cl)cccc4C(F)(F)F)c3n2)cc1 473097082 BYCASSJHTRXSIG-UHFFFAOYSA-N 417.774 5.434 0 1 HKAF CCCc1ccc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 586990013 HQENSVAFUFPGBU-UHFFFAOYSA-N 423.468 5.398 0 1 HKAF Cc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ncc1Br 586993333 KKQZHJOHPLTEAE-UHFFFAOYSA-N 415.290 5.888 0 1 HKAF Clc1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c1 586997877 FOOKYKNKMJUGSF-UHFFFAOYSA-N 413.702 6.225 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cncc(Cl)c2[nH]1)c1cccc(Cl)c1 587071568 OCKMEXPLRUCANN-AWEZNQCLSA-N 407.301 5.073 0 1 HKAF Clc1ccc(CC2(c3nc4cccc(I)c4[nH]3)CC2)cc1 587073571 LGSKZGFNTWDYGH-UHFFFAOYSA-N 408.670 5.095 0 1 HKAF Clc1ncc(Cl)c2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 587080922 HLGBZTLRJKSIJT-UHFFFAOYSA-N 415.671 5.295 0 1 HKAF FC(F)(F)CSc1cc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)ccn1 587093055 KDXWYGBJGCWVQD-UHFFFAOYSA-N 415.440 5.858 0 1 HKAF Cc1ccc2c3c(c(CCCC(=O)O)c(-c4ccccc4)nc13)-c1ccccc1C2=O 587101771 VQNVGXSNWUCCRH-UHFFFAOYSA-N 407.469 5.829 0 1 HKAF Oc1ncnc2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc12 587113062 XVGMLHGXVFSFDD-UHFFFAOYSA-N 424.304 5.430 0 1 HKAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 587121588 GIQJTZAOBFHWOF-UHFFFAOYSA-N 413.733 5.917 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)c(F)c2)c1 587147133 HXMZNPXPOWKGKW-UHFFFAOYSA-N 419.456 5.435 0 1 HKAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(Br)c(F)c4[nH]3)c2)c1 587160401 QTXXCJNYXDXSOJ-UHFFFAOYSA-N 415.237 5.946 0 1 HKAF Nc1ccc(-c2ccc3[nH]c(-c4ccc(C(=O)Nc5ccccc5)cc4)nc3c2)cc1N 587244551 PDBMZQRPRKRQAY-UHFFFAOYSA-N 419.488 5.314 0 1 HKAF C[C@]1(c2cc3cc(F)ccc3o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331461 HDTIUSPEIPIREK-LADGPHEKSA-N 406.384 5.691 0 1 HKAF CCc1ccc(OC)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587354045 SVUMTZQLYOCOTI-NOZRDPDXSA-N 406.453 5.377 0 1 HKAF COc1cccc(-c2cc(-c3ccc(Cl)cc3N)nc3c2oc2ccccc23)c1 587358290 QYIVIWGMZSQFHS-UHFFFAOYSA-N 400.865 6.559 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccc(C(F)(F)F)c3)s1)O2 587381775 LMXKVUBZLPDEJO-KRWDZBQOSA-N 403.425 6.031 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1ccccc1C 587400168 OLBKIKHQVVQSMS-QHCPKHFHSA-N 403.478 5.180 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(Sc4ccccc4Cl)nc1)[C@@H](C2)C3=O 587454458 ZIGFWEPNRYYKIR-OYHNWAKOSA-N 409.894 5.384 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccc(Cl)cc1)(c1ccccc1)CC2=O 587460053 FIHRTXKATCUVKV-RUZDIDTESA-N 406.909 6.102 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(-c3cccc(Cl)c3)c1C)CC2=O 587460133 GBEVRAWWYJXXHY-HSZRJFAPSA-N 410.901 5.373 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ncc(Br)cc1Cl)CC2=O 587461773 YYZHNHYDBUJQSQ-GOSISDBHSA-N 410.695 5.036 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C=O)c(OC)c3)cc1)CC2=O 587475508 ADKPFLVTCWTLOR-RUZDIDTESA-N 416.473 5.539 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1nc(C(C)C)cs1)CC2=O 587496679 ZXXNUTYBHJFNKJ-DEOSSOPVSA-N 407.535 5.834 0 1 HKAF O=C1C[C@](c2ccccc2)(c2cccc3cnccc23)Oc2c1ccc1c2CCCC1 587516557 YDAMMRCCZFAOQO-NDEPHWFRSA-N 405.497 6.023 0 1 HKAF CC1(C)C[C@H]([C@@]2(Cc3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)CCO1 587536740 WDRIISGANNCIAB-JIPXPUAJSA-N 404.550 5.717 0 1 HKAF C[C@]1([C@@H]2C[C@@H]2c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546066 HXMPTHDHDGTMRJ-VPPNUOKLSA-N 406.865 5.570 0 1 HKAF CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc12 587571844 MSGXAXYWGLDJJF-ZEQKJWHPSA-N 411.457 5.314 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC2CCCC2)cc1O 587601623 UJKYTELTPDEMGB-RCZVLFRGSA-N 418.445 5.122 0 1 HKAF Cc1cc(C)c2c(c1)[C@]1(CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605880 BHZDJBOKFAPCEX-OFVILXPXSA-N 402.446 5.039 0 1 HKAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-n1nc(C(F)(F)F)cc1C1CC1 587622303 IWEFEJYHJDZQBA-UHFFFAOYSA-N 424.224 5.197 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(Cl)o2)N1 587680208 OIJAZDLJQSYKSG-CAAJLBCPSA-N 423.507 5.221 0 1 HKAF CC(C)CC[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587697519 GUMDOKXWRGRDFK-SPLOXXLWSA-N 424.785 6.456 0 1 HKAF CC(=O)n1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587760135 XNLKEGSJWZFXEZ-LAJNKCICSA-N 415.306 5.001 0 1 HKAF CCOc1ccc(OCC)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587799727 CENNHEUWJDOBMF-MPBGBICISA-N 408.311 5.009 0 1 HKAF CC(C)=CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587799980 CZRGWKQHRXGBFB-SPLOXXLWSA-N 404.323 5.557 0 1 HKAF CCOc1ccc(C(C)C)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587802642 STTZRRVZQWXUBN-ZSEKCTLFSA-N 406.339 5.734 0 1 HKAF Cc1cccc2c3c([nH]c12)[C@@]1(CCC3)N[C@@H](C)Cc2cc(Br)c(F)cc21 587807709 XUCBQJYZUHAAIE-XMHCIUCPSA-N 413.334 5.492 0 1 HKAF COc1ccc(C(C)(C)C)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587810985 YSZXXTDDIUJXAI-FKIZINRSSA-N 406.339 5.518 0 1 HKAF CC[C@H](C)c1ccc([C@]2(CC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587811470 GJIGPVIQEFINLH-KIMHZCHSSA-N 404.367 6.290 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1cccc(C)c1 587858511 IHFHJMILRAJPNZ-UHFFFAOYSA-N 405.281 5.283 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccnc1SC 587859796 LVQFQWQBEJFNLW-UHFFFAOYSA-N 408.310 5.061 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1scc(C)c1Cl 587861179 MAPSXTYIWHXUJO-UHFFFAOYSA-N 415.729 5.967 0 1 HKAF Cc1noc(C)c1-c1cc(Cl)cc(COc2ccc(CCC(=O)O)c(F)c2)c1 653841650 KXGRGXKWQUHYJG-UHFFFAOYSA-N 403.837 5.347 0 1 HKAF NNc1ncnc2c1c(-c1ccccc1)c(-c1ccccc1)n2-c1ccc(Cl)cc1 653846513 HEWJLYOWYCHPHV-UHFFFAOYSA-N 411.896 5.694 0 1 HKAF Cc1ccccc1[C@@H](CC(=O)c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O 957602574 CVRVXTKOVUFZST-OFNKIYASSA-N 418.876 5.423 0 1 HKAF CC(C)[C@@]1(CCc2ccccc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962640390 QUZMVWVERRXLGM-PXJZQJOASA-N 410.605 5.918 0 1 HKAF CCn1c2ccccc2c2cc([C@]3(C)NCCc4cccc(-c5ccccc5)c43)ccc21 962673556 ZEBOJCIGXSIGRG-PMERELPUSA-N 416.568 6.891 0 1 HKAF Cc1cc(Cl)cc2c1OCCC[C@@]21c2ccsc2CCN1Cc1cccnc1 963010416 NMNRGGSHIOIUJP-HSZRJFAPSA-N 410.970 5.579 0 1 HKAF CCCc1ccc([C@]2(c3ccccn3)NCCc3cnc4c(OC)cccc4c32)cc1 963054244 HYODQBKKWJCNQJ-HHHXNRCGSA-N 409.533 5.029 0 1 HKAF COc1ccc2c(c1OC)[C@@](CCc1ccccc1)(C(C)(C)C)NCC21CCOCC1 963187827 JMMWLVUVKJBATQ-MHZLTWQESA-N 423.597 5.229 0 1 HKAF COc1ccc2c(c1)[C@](C)(c1cccc3c1cnn3C)N(Cc1ccc(F)cc1)CC2 963305576 ZCWMARVMZFKOLR-SANMLTNESA-N 415.512 5.043 0 1 HKAF c1ccc(COc2ccc3[nH]c4c(c3c2)CCN[C@@H]4c2ccc(N3CCCC3)o2)cc1 963816628 GCDWEXKNOUDARH-AREMUKBSSA-N 413.521 5.175 0 1 HKAF O=C(Nc1cccc(F)c1)c1cc(C(F)(F)F)ccc1OCc1ccc(F)cc1 1857553592 RFLIAAPXBJSUJB-UHFFFAOYSA-N 407.338 5.815 0 1 HKAF COc1ccc(/C=C/C(=O)Nc2cc(Nc3ccc(Cl)cc3Cl)ncn2)cc1 1857656053 WRSMLPUHAMDRTH-RUDMXATFSA-N 415.280 5.188 0 1 HKAF CCCC=CC[C@H]1CC=CC=C(C)C=CC=C[C@@H](O)CC=C(C)C=CC=CC(=O)N1 2356390222 UMYFIUGQWGBKLX-IZZNHLLZSA-N 407.598 6.046 0 1 HKAF CC(=O)OC=CC(=COC(C)=O)CCC=C(C)CC[C@H]1C(C)(C)CCC[C@@]1(C)O 2356501402 YULSAIDMTJJFTN-LADGPHEKSA-N 406.563 5.594 0 1 HKAF CC(C)=CCc1cc(Br)c2c(c1O)[C@@]1(CC=C(C)C)CCN(C)[C@H]1N2 2356510651 HFPWSDSFBVKNTG-NHCUHLMSSA-N 405.380 5.345 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356632421 BBTIMXAYZRWPNG-PYYRWUFESA-N 414.718 8.025 0 1 HKAF Cc1cc(O)cc2c1C[C@]1(O2)[C@H](C)CC[C@@H]2[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C 2356799827 UWYFEQBOCMFYPZ-JDEUSJNWSA-N 412.614 6.024 0 1 HKAF CC(C)(C)c1ccc(/C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1 5264334 HAOWQUGPZHOGRT-HAVVHWLPSA-N 416.546 5.832 0 3 HKAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc(C)cc2)C2=C(O)CC(C)(C)CC2=N1 848020 KNZHASCMZKMZCR-XMSQKQJNSA-N 409.526 5.162 0 1 HKAF C[C@@H](CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O 1533322 HWSWZESMKTVEGZ-KRWDZBQOSA-N 419.477 5.414 0 1 HKAF Cc1ccc(S(=O)(=O)[C@@H]2c3nc4ccccc4cc3-c3nc4ccccc4nc32)cc1 1633734 SDMIDEPAICYTQS-RUZDIDTESA-N 423.497 5.030 0 1 HKAF O=C(O)c1cccc2c1Oc1c(C(=O)O)cccc1N2c1cccc(C(F)(F)F)c1 3873792 NQOOJFXBGLOGTC-UHFFFAOYSA-N 415.323 5.677 0 1 HKAF in-vivo OCCCCCCCCCCCS[C@H](Cc1ccc(O)cc1)c1ccc(O)cc1 13601039 SKEVSTJFFYFKCV-RUZDIDTESA-N 416.627 6.618 0 1 HKAF CCCCC1=NC2(CCCC2)C(=S)N1Cc1ccc(-c2ccccc2C(=O)O)cc1 13833596 WPWLXIFNTAWWKW-UHFFFAOYSA-N 420.578 6.096 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@@H](C)C[C@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 27303116 DHZJVHCWDITFSE-NSAZSWFISA-N 401.679 6.832 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[P@](=O)(O)C(F)(F)P(=O)(O)O 29546469 FGLADMABHJNRME-NCZFFCEISA-N 414.366 5.794 0 1 HKAF CCCCN(CCCC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1F 40953438 WVFGZUYNPZDJGF-UHFFFAOYSA-N 413.968 7.173 0 1 HKAF CCCn1c(SCCNC(=O)NCC)nc(-c2ccccc2)c1-c1ccccc1 45318970 FSLKJLRWYMKARO-UHFFFAOYSA-N 408.571 5.038 0 1 HKAF Clc1ccc(CNc2ccnc(NCCc3coc4ccccc34)n2)c(Cl)c1 45324982 UGEYOKYUNIIMHM-UHFFFAOYSA-N 413.308 5.796 0 1 HKAF COc1ccccc1[C@@H]1S[C@@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccc(O)cc1 49808502 LPUQWNJVLYEPBX-FUDKSRODSA-N 422.481 5.246 0 1 HKAF Clc1ccc(OCc2ccccc2-c2nnc(-c3cccc4ncccc34)o2)cc1 64448856 SQVSPOIXFPVTSZ-UHFFFAOYSA-N 413.864 6.184 0 1 HKAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1C[C@H](F)CN1C(=O)c1cncs1 72176695 OBUVCWPZKZGURL-MAUKXSAKSA-N 401.894 5.092 0 1 HKAF Cc1nc(C)c(-c2ccc(Nc3nc4c(s3)CCC[C@H]4c3ccccc3)cc2)o1 73195706 MXADHTDBGAEFOK-FQEVSTJZSA-N 401.535 6.627 0 1 HKAF CCC(CC)c1nc2c(NCc3ccc(C)cc3)ncnc2n1CCc1ccccn1 82179380 HQJRRUARTBPDBV-UHFFFAOYSA-N 414.557 5.288 0 1 HKAF Clc1ccc2c(NC3CCN(Cc4ccccc4)CC3)c3c(nc2c1)CCCC3 95576546 FQHHAMFIEBQPSP-UHFFFAOYSA-N 405.973 5.844 0 1 HKAF CN(C)C(=O)O[C@@H](c1cnccc1C(F)(F)F)c1ccc2c3c(cccc13)CC2 103189011 HLPIZFMHQWIZDK-HXUWFJFHSA-N 400.400 5.140 0 1 HKAF COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(O)=C2[C@H]1c1cccc(F)c1 104700844 LZRJSZWZRDXOLA-QFIPXVFZSA-N 406.457 5.281 0 1 HKAF Cc1nn(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c(C)c1CC(=O)O 113989952 SIDRLQQGSCJYOM-UHFFFAOYSA-N 419.308 5.061 0 1 HKAF O=S(=O)(c1cccc(Cl)c1)c1sc2ncccc2c1-c1ccc(Cl)cc1 138708516 HAVCQSSQDUPLEB-UHFFFAOYSA-N 420.342 6.103 0 1 HKAF CC(C)(C)NC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1-c1ccc(F)cc1 144339766 UUAJWWQHNHXSIP-QHCPKHFHSA-N 416.496 5.105 0 1 HKAF c1ccc(CCN2[C@H]3CC[C@@H]2C[C@@H](c2c(-c4ccccc4)[nH]c4ccccc24)C3)cc1 253677982 QOUVFTQPYVSKEQ-MPIKPJSNSA-N 406.573 6.788 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255260290 PZELUKPNJYWGOY-BUCKHNPESA-N 400.691 7.635 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC(=O)[C@H]1[C@]3(C)CC[C@@H]2C(C)(C)CCC[C@]21C 257485978 MQILTVJSXIHHGW-KVRAXFESSA-N 424.713 8.521 0 1 HKAF endogenous,in-man Cc1ccc(S(=O)(=O)N2N=C(C(F)(F)F)C[C@@H]2c2cccc3ccccc23)cc1 299840648 YECHQKZCAQFYMA-LJQANCHMSA-N 418.440 5.202 0 1 HKAF Fc1cc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Cl 586998523 LVOMYAYCDKSTOH-VURMDHGXSA-N 417.665 6.548 0 1 HKAF CCCOc1cc2nc(-c3c[nH]cc3-c3csc(C)n3)[nH]c2cc1Br 587021612 OJXXJXRVSRMLBN-UHFFFAOYSA-N 417.332 5.541 0 1 HKAF COC(=O)c1cc2nc(-c3csc4c3CCOC4)[nH]c2c(F)c1Nc1ccccc1 587031536 IOBRLZZTDHDZIB-UHFFFAOYSA-N 423.469 5.033 0 1 HKAF O=C(O)c1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cc1F 587038862 BTEXVXRTLULTMH-UHFFFAOYSA-N 405.454 5.246 0 1 HKAF COc1cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc(Cl)c1OCC(C)C 587046379 QITPBJKMDSTLHU-UHFFFAOYSA-N 402.775 5.483 0 1 HKAF Fc1cc(C(F)(F)F)c2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2c1 587063752 VEDXHTJMLIIRGV-UHFFFAOYSA-N 420.793 6.620 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(F)c(C)c4[nH]3)c(Cl)cc12 587078241 MBIGJRWUSOKYRT-GFCCVEGCSA-N 414.864 5.863 0 1 HKAF COc1ccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(Cl)n1 587083616 CEVBHMCUFPHNRJ-UHFFFAOYSA-N 406.589 5.068 0 1 HKAF Cc1ccc2c3c(cc(CC(C)(C)c4c[nH]c5ccccc45)nc13)-c1ccccc1C2=O 587096441 JUCUQYQQFUIOJY-UHFFFAOYSA-N 416.524 6.756 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@@H](N1C[C@@H](C)C[C@@H](C)C1)CCC4)-c1ccccc1C2=O 587097402 OPRZPFHRRDWHQZ-MFEFFIJZSA-N 410.561 6.110 0 1 HKAF Fc1cc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc2c(F)c1F 587113889 NQGVNMSESREIAJ-UHFFFAOYSA-N 408.301 6.458 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(F)c(F)c(F)c3[nH]2)c(Cl)c1 587159064 LVQAOQLZTGDVAK-LJQANCHMSA-N 406.766 5.941 0 1 HKAF O=NCc1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1 587190304 MTPGNHXZBNYPFG-UHFFFAOYSA-N 400.154 5.157 0 1 HKAF CCCCC[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358581 WSWRCLZLZQKKKY-AZGAKELHSA-N 420.480 6.072 0 1 HKAF CCOc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1F 587358878 BLSODCACEOKEFN-UHFFFAOYSA-N 413.448 6.861 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(OC)c(F)cc2C3)c1 587360285 NVWNYISQENYQCL-UHFFFAOYSA-N 411.432 6.376 0 1 HKAF COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1SC 587379754 ZTCZPIVHNVPBKJ-ISKFKSNPSA-N 424.493 5.536 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1coc3ccc(O)cc13)CC2=O 587486452 XSVXJOJGSFMRHR-SANMLTNESA-N 414.457 5.706 0 1 HKAF O=C1C[C@@H](c2ccc(OCc3ccccc3F)cc2)Oc2c1ccc1c2CCCC1 587502186 IIANZCOSMWWKAV-VWLOTQADSA-N 402.465 5.990 0 1 HKAF O=C1C[C@]2(CC[C@@H]2c2ccccc2OCc2ccccc2)Oc2c1ccc1c2CCCC1 587523661 LWNRKMQSXNKWHG-IRPSRAIASA-N 424.540 6.426 0 1 HKAF Cc1nc(Cc2ccccc2)sc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587531896 NHPGFQGINJWYSG-VWLOTQADSA-N 403.547 5.802 0 1 HKAF C[C@@]1(Cc2c(Cl)cccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541236 FBBMPHVINJQSMN-KNQAVFIVSA-N 415.272 5.662 0 1 HKAF CN(c1ccccc1)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587569564 GRSFSDFENIORDW-ZEQKJWHPSA-N 424.456 5.258 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCOc1c2ccc2ccccc12 587609076 MEDAGHNYNYSNJV-HOFKKMOUSA-N 424.452 5.575 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccc(Cl)c(Cl)c2)N1 587699870 YCSKNMAXYBCHBH-NUNAGDEFSA-N 415.133 6.184 0 1 HKAF Cc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587711382 XAQPXAOZWRFGMW-KPZWWZAWSA-N 416.256 5.545 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OC(F)(F)F)N1 587722217 RPNFINLZQJMINU-FVMDXXJSSA-N 404.201 5.110 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1cc(F)ccc12 587737300 YZODESOLWPBYDR-VERVWZFWSA-N 412.277 5.534 0 1 HKAF CCCCn1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 587757168 NMBBWMBZNBFKNN-ZUOKHONESA-N 416.338 5.362 0 1 HKAF CCOc1ccc(OCC)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587801557 LRGOTZOAIWMQIZ-ASSNKEHSSA-N 422.338 5.183 0 1 HKAF Cc1sc(N)c([C@]2(C3CC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587841312 ANJQOLCHSQFOCE-ZRNGKTOUSA-N 409.368 5.037 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccccc3)cs2)N1 587845664 FHJGMEXXKRWRNN-FKIZINRSSA-N 402.332 5.940 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1C[C@@H]1c1ccc(C)cc1 587862819 XHLSLWMSZPUYDY-IAGOWNOFSA-N 400.400 5.330 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(Br)ccn1 587863804 JMFJWDMPUQAUBJ-UHFFFAOYSA-N 412.209 5.114 0 1 HKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587951333 SQEULJILDRJDFN-DOXZYTNZSA-N 423.395 6.407 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c(N)ccnc2[nH]1 587959619 MOEVHHSLIQNRBH-XSCOUVMYSA-N 418.629 7.394 0 1 HKAF CCOc1cc([C@@H]2c3cc(OC)ccc3CCN2C(C)C)cc(Cl)c1OCC 962094805 XNVNUQNMGYIJJK-JOCHJYFZSA-N 403.950 5.502 0 1 HKAF Cc1nc(-c2ccc(O)cc2)sc1[C@@]1(C)NCCc2cc(-c3ccccc3)ccc21 962671721 SKZPHYDJGLTKIP-SANMLTNESA-N 412.558 5.900 0 1 HKAF C[C@H](OC(=O)C[C@]1(C)c2cccc(F)c2CCN1[C@@H]1CCSC1)c1ccccc1 962696826 GWTLXZDGCCURFB-RGZWJVDOSA-N 413.558 5.099 0 1 HKAF CC(C)C[C@H](c1ccccc1)[C@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962702691 SMJJOMAGHWTLFX-UIAACRFSSA-N 409.423 5.314 0 1 HKAF CC(C)c1cccc2c1Sc1ccccc1[C@@]21N[C@H](C(=O)O)Cc2cc(F)ccc21 962905329 DJKKBIHIGZRRTE-SQJMNOBHSA-N 419.521 5.305 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(C[C@](N)(c2ccc(F)cc2)C(F)(F)F)N1 962949679 QHUFXWBCMOSLAD-USCONSEESA-N 419.466 5.253 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1ccc(C)nc1)c1ccc(OC)c(OC)c1 963230529 PVSDLEGMHPJKEA-DCFHFQCYSA-N 416.565 5.356 0 1 HKAF CCC[C@]1(c2ncccc2C)c2cc(OC)ccc2CCN1Cc1ccc(F)cc1 963302471 NWWQNNMMBDPBKU-AREMUKBSSA-N 404.529 5.640 0 1 HKAF CC[C@@H](C)[C@@]1(C)c2cc(O)ccc2CCN1c1nc(Cl)nc2c1ncn2C(C)C 963917455 WBRIRGUXKKFEFX-PEBXRYMYSA-N 413.953 5.090 0 1 HKAF c1ccc(Nc2ncnc3c2[C@@H](c2ccccc2)c2ccc4ccccc4c2O3)cc1 1772582446 MLCCJAHWMNHQJS-QHCPKHFHSA-N 401.469 6.659 0 1 HKAF Clc1cc(Cl)cc(CN[C@@H]2CCC[C@@H](c3nc4ccc(Cl)cc4[nH]3)C2)c1 1772654822 XDIHQCSGYJWVKO-CXAGYDPISA-N 408.760 6.339 0 1 HKAF CC(C)c1ccc(/C=C/c2nc3ccc(Cl)cc3c(=NCCCN(C)C)[nH]2)cc1 1857563929 ATCWOUWYXWAFKT-MDWZMJQESA-N 408.977 5.363 0 1 HKAF COc1ccc2c(c1)OC(C)(C)C/C2=C(\c1ccccc1)c1ccc(OC(C)=O)cc1 1857640052 LUANZVWLAYFJBP-LCUIJRPUSA-N 414.501 6.141 0 1 HKAF CC(=Cc1cc(CCC[C@H](C)Cc2cc(CCCc3ccoc3)co2)co1)C(=O)O 2356350605 GJHLDIQOIDVSCS-SFHVURJKSA-N 410.510 6.330 0 1 HKAF C[C@@H](C=C[C@@H](C)[C@@H](C)CO)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356421363 HCQKGAYOZHKURE-RFYOJQLBSA-N 412.658 6.591 0 1 HKAF CC(=CCCC(C)=CCCc1ccoc1)CCC=C1CC[C@H](O)[C@@H](C)C(=O)OC1 2356446008 VRWCUJQWBMHNBO-QPPBQGQZSA-N 400.559 5.926 0 1 HKAF CC(C)[C@@H]1[C@H](C)[C@H]1C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356528748 GOZWAAJAKSAXBZ-SBTOQTNNSA-N 412.702 7.491 0 1 HKAF CO[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)[C@@]2(C)CC[C@H](O)C=C12 2356588924 MJDZDJKAGVHWBM-GMFJBNLUSA-N 416.690 7.014 0 1 HKAF CC(=O)N[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@@]45C[C@]35CC[C@]12C 2356674383 FXDDRLSNPIXAQG-LLCUWFGOSA-N 400.651 5.244 0 1 HKAF COc1ccc2c3c(c(=O)oc2c1)[C@@](C)(CCC=C(C)CC(=O)CC(C)C)[C@H](C)O3 2356725249 BARNHVLIPVGYOX-GKVSMKOHSA-N 412.526 5.572 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356746359 QIHXSWPLWOYYST-IILMGTBMSA-N 402.663 6.648 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1[C@H](O)CC[C@]2(C)[C@@H]1C[C@H](O)[C@@H]2[C@@H](C)C=CCC(C)C 2356790667 FVJIHTMQQWXGDJ-ZEAGVHNHSA-N 414.630 5.646 0 1 HKAF O=C(Nc1cccc(F)c1)O[C@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1[C@H]2Cc1ccccc1 263591009 YJURZYZSTPNVCL-FBHBTBFLSA-N 408.517 5.248 0 3 HKAF C/C=C(\C)[C@H](O)[C@@H](C)/C=C/C=C/C/C(C)=C/Cc1nc(OC)c(OC)c(O)c1C 13434634 HVSNZEPHFYYIKC-VLUCTALDSA-N 401.547 5.067 0 1 HKAF c1ccc(-c2n[nH]cc2-c2ccnc(-c3ccc(OCCC4CCCCC4)cc3)c2)nc1 13684431 VEZHTNSQYUPFQJ-UHFFFAOYSA-N 424.548 6.550 0 1 HKAF CC1(C)CCC(C)(C)c2cc3c(cc21)Cc1ccccc1N=C3c1ccc(C(=O)O)cc1 13775913 HCPMHAXDEBOVBE-UHFFFAOYSA-N 423.556 6.807 0 1 HKAF COc1ccc(CNc2nnc(Cl)c3ccc(C(F)(F)F)cc23)cc1Cl 13780943 SYCABIFUKNTSKX-UHFFFAOYSA-N 402.203 5.576 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cc(F)cc(F)c1)Oc1ccccc1-3 13781712 PRIMITDDFBVXLX-FMCGGJTJSA-N 401.456 7.130 0 1 HKAF COc1cc2c(cc1CC=C(C)C)[C@H]1COc3cc(O)c(CC=C(C)C)c(O)c3[C@@H]1O2 14781051 YCYLVHIWXLJVIC-NIYFSFCBSA-N 422.521 5.734 0 1 HKAF endogenous,in-man CCC(=C(c1ccc(OC(C)=O)cc1)c1ccc(OC(C)=O)cc1)c1ccccc1 26016536 KUXYKZXTHROEOK-UHFFFAOYSA-N 400.474 5.906 0 1 HKAF O=S(=O)(/C=C/c1ccccc1Cl)Nc1nc(-c2ccc(Cl)cc2)cs1 26847598 ZAHOUPABGRXZET-MDZDMXLPSA-N 411.335 5.530 0 1 HKAF CC[C@@]1(C[C@@](O)(Cc2ccnc3ccccc23)C(F)(F)F)CCCc2ccccc21 28826158 AKRFUARLUXZAGZ-ZEQRLZLVSA-N 413.483 6.145 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(C(=O)O)ccc1O 34287798 AQVOANKSGFAANH-FPFQZNTGSA-N 410.598 7.779 0 1 HKAF CC(C)=CCC[C@]1(C)C=Cc2c(c(O)cc3c4c(oc23)-c2ccc(O)cc2OC4)O1 38628134 DOJCHDKOHMTKAQ-RUZDIDTESA-N 404.462 6.314 0 1 HKAF biogenic COc1cccc(N(C)[C@@H]2CCCc3nc(-c4c(C)cccc4C)cc(OC)c32)c1C 40420520 HFJAMWJPXYAPQB-HSZRJFAPSA-N 416.565 6.205 0 1 HKAF O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCCc2ccccc2)cc1 40900649 FQIHBODXKVPRER-UHFFFAOYSA-N 422.528 5.644 0 1 HKAF O=C(Nc1ccc(O[C@H]2CCN(Cc3ccsc3)C2)c(Cl)c1)c1ccsc1 45201527 YBXBFUYXYCCMGP-KRWDZBQOSA-N 418.971 5.369 0 1 HKAF CCc1nc(C)cn1C[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 45372154 VPFPNHVXCIERAP-AWEZNQCLSA-N 417.353 5.073 0 1 HKAF O[C@@H](CNc1ccccc1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 45388707 AQESSCKRZOFAEF-HNNXBMFYSA-N 400.322 5.418 0 1 HKAF CCC/C(=C\Cl)CCCC(=O)N[C@H](C)C[C@H](C)C(=O)[C@@H](C)CC/C=C/Cl 49046434 OEEXJHFQVSGEBK-UOTJSFGASA-N 404.422 6.348 0 1 HKAF CCOP(=O)(OCC)OCCCCOC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 59042455 FRLDWHDPSLYTJS-SFHVURJKSA-N 414.479 5.510 0 1 HKAF in-vivo CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CCCC(C)(C)C5=CC[C@H]4[C@@]3(C)CC[C@]12C 59779611 WZDKBHGEBSMIQO-ZHPBWMRBSA-N 410.730 9.054 0 1 HKAF Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4ccccc4)c(F)c3F)[nH]c2c1 68247338 UTYOUKVFFRZKEZ-UHFFFAOYSA-N 400.331 5.460 0 1 HKAF Cc1cc(F)cc(C)c1COc1ccc2c(-c3ccsc3)cc(C(=O)O)cc2c1 71296659 BZTYQKZVXFALHW-UHFFFAOYSA-N 406.478 6.601 0 1 HKAF C[C@H]1CCCN1[C@@H]1CC=C(c2ccc(NC(=O)OCc3ccccc3)c(F)c2)CC1 72318340 PGEBLGFMKXZZNY-PGRDOPGGSA-N 408.517 5.995 0 1 HKAF Cc1noc(C)c1-c1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1 204020122 WLQQDJGQKCOQAA-UHFFFAOYSA-N 407.477 5.576 0 1 HKAF C[C@@H](CN1CCCC[C@H]1CC1CCCCC1)c1cccc(C(=O)c2ccc(F)cc2)c1 253636440 ZXEZBERMOMMNEP-IDISGSTGSA-N 421.600 6.985 0 1 HKAF C1=CCN(CC2CC2)Cc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC1 254120019 OJPZPHHRLPRKHR-UHFFFAOYSA-N 412.537 5.438 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4[C@@H](C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C 255263926 RXPPOAQPYLFCAS-IEXBOCDTSA-N 414.718 7.859 0 1 HKAF C[C@H](CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O 261499002 WVXOMPRLWLXFAP-SKUJHJTISA-N 416.646 6.453 0 1 HKAF endogenous,in-man CCN(CC)CCCN1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 299849224 ZHJNAQNCUSKTRA-KAIMMUQSSA-N 401.598 6.015 0 1 HKAF CO[C@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@@H](CC[C@@H]4N(C)CCCC(C)C)[C@@H]3CC[C@@H]2C1 299850480 SUURJOMPZAFTED-YZRPDWOZSA-N 403.695 6.781 0 1 HKAF CC1(C)CC(C)(C)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2S1 299867536 YENJOYJINLREQV-KPKJPENVSA-N 419.512 6.909 0 1 HKAF Cn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4cc(CF)ccc4n3)cc2)n1 473148648 GOOCZSKXXSGRFQ-UHFFFAOYSA-N 424.479 5.746 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(Br)cc3[nH]2)c1 586879074 ONLHUSBFCKXIEM-UHFFFAOYSA-N 405.295 5.840 0 1 HKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2c(F)cnc(Cl)c2[nH]1 586983054 VCBSLVQPGLQJTH-LBPRGKRZSA-N 410.718 5.885 0 1 HKAF Fc1cc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2cc1Cl 586986061 VDBMLARYHOPWLI-QGZVFWFLSA-N 408.702 5.303 0 1 HKAF Oc1nc2cc3nc(/C=C/c4ccc(-c5ccc(Br)cc5)o4)[nH]c3cc2[nH]1 586998942 SSMJOKFGCQRWAH-SOFGYWHQSA-N 421.254 5.338 0 1 HKAF N[C@H](N=O)c1ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c1 587015600 RWDGICGJPPSAMF-OAHLLOKOSA-N 404.282 5.384 0 1 HKAF O=c1ccc(-c2nc3cc(F)c(F)c(F)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587053932 FERKYCFBAMYLPC-UHFFFAOYSA-N 424.209 5.164 0 1 HKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587061688 HPHCKPDICOFPFB-CYBMUJFWSA-N 422.756 6.784 0 1 HKAF COC(=O)c1ccc(Oc2ccc3[nH]c(C(=O)Cc4ccc(Cl)cc4)nc3c2)cc1 587071656 MJMIXKNBRXLEOW-UHFFFAOYSA-N 420.852 5.221 0 1 HKAF CSc1ccc(C(=O)CCc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587102925 SJPRDMSROIWHHS-UHFFFAOYSA-N 423.537 6.292 0 1 HKAF CC(C)Oc1ccc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc2c1 587112699 BTONXPJGZCOHJF-UHFFFAOYSA-N 412.411 6.828 0 1 HKAF Fc1ccc(-c2cn3c(Cc4nc5cc(Cl)nc(Cl)c5[nH]4)csc3n2)cc1 587166125 NBJWCXMBSDUKPV-UHFFFAOYSA-N 418.284 5.371 0 1 HKAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587201056 FMHBMJNWKXGBDR-UHFFFAOYSA-N 423.557 5.723 0 1 HKAF C[C@@]1(Cc2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344025 FFHKVMFUXUAQCP-NOZRDPDXSA-N 401.437 5.373 0 1 HKAF Cc1cccc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)c1 587345957 QUYUQAFBVNTGBS-DEOSSOPVSA-N 417.480 5.238 0 1 HKAF CCCCc1c(-c2ccccc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587366536 VIKQQSICZDUCOM-UHFFFAOYSA-N 407.513 7.666 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3ccccc3n1Cc1ccc(Cl)cc1)O2 587379694 WBQVBPMJFAFFDG-QFIPXVFZSA-N 417.896 5.335 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Sc3ccc(Cl)cc3)s1)O2 587415159 XYNBXZGQDIJHHB-QGZVFWFLSA-N 401.940 6.150 0 1 HKAF COc1ccc([C@]2(c3ccc(Cl)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587419919 GAFZQWCPBNIFNJ-YKSBVNFPSA-N 406.865 5.048 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](COCc1ccccc1)(c1ccc(F)cc1)CC2=O 587467831 SRJVRJCGUGGTGE-SANMLTNESA-N 420.480 5.561 0 1 HKAF O=C1c2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Cl)ccc21 587503632 VRHPTJNYIHHOEL-AREMUKBSSA-N 414.888 5.672 0 1 HKAF CC(C)(C)OC(=O)N1Cc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2C1 587519009 STQCWTBPAYBADQ-QHCPKHFHSA-N 419.521 5.523 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccccc2)ccc1O 587605918 BRTCDKJFACWKIB-ZEQKJWHPSA-N 410.425 5.468 0 1 HKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc1Br 587613187 MQCFXDYDZCVMSC-YJBOKZPZSA-N 417.280 5.228 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2ccsc2)c1 587620397 YZTTVOVJKHPCEQ-QPPBQGQZSA-N 400.455 5.824 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(C2CCCC2)N1 587702193 OIKKKDYJLFRIIV-ASSNKEHSSA-N 422.769 6.210 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)(F)F)c(Cl)c2)N1 587714573 VZVBDVOFOSMOHK-ZKANADHPSA-N 422.647 5.884 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2Br)N1 587723952 ZWCKQRXBBURYCX-VPTHRUTESA-N 417.091 5.113 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1cc(F)ccc12 587729704 HMVQUWZENXKSEF-YTEVENLXSA-N 412.277 5.534 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccco2)N1 587729782 DKNJQJFDVIMTEK-ODXCJYRJSA-N 404.254 5.146 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(F)cc3)o2)N1 587732839 JYHTZPPFLDJPNS-YBTHPKLGSA-N 404.254 5.611 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2N2CCCCC2)N1 587767566 RSXJRBXCCYEYLK-SZNDQCEHSA-N 403.339 5.202 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C2\N(C)c3ccccc3C2(C)C)N1 587770806 REJWKFXEWXWIJM-NBWJQGPOSA-N 415.350 5.475 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cccc(C(F)(F)F)c1 587865022 OWIKFUGXTZQOGL-UHFFFAOYSA-N 414.349 6.035 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1C[C@@H]1c1ccccc1 587865837 LFYSTPXLRHBWBE-MSOLQXFVSA-N 400.400 5.412 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCCCCCC(=O)O)c1cccc(F)c1 963230455 PLHAQAAPTKASHE-FNZWTVRRSA-N 411.561 6.151 0 1 HKAF CCCOc1ccc([C@H]2NCCc3c(OC)ccc(Cl)c32)cc1Br 963260597 ZHGXTAQAKTVABU-LJQANCHMSA-N 410.739 5.135 0 1 HKAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2C1=Cc2cc(Cl)cc(Cl)c2OC1 963635680 NQQSTVMQVOHROW-GIPWTMENSA-N 406.309 5.062 0 1 HKAF O[C@H](c1cccnc1-c1cc(Cl)cc(Cl)c1)[C@@H](c1cccnc1)c1ccccn1 1772627639 ZDWRNJFIXZYBEH-JTHBVZDNSA-N 422.315 5.711 0 1 HKAF O=C(NC1CCCCC1)c1ccccc1Nc1cccc(OCCc2ccccc2)c1 1857590411 KAJGHPYWROKPQT-UHFFFAOYSA-N 414.549 6.114 0 1 HKAF O=C(NCCc1c[nH]c2ccccc12)c1c(O)nc2ccccc2c1-c1ccccc1 1857653238 DMZWYRVQPIDVFJ-UHFFFAOYSA-N 407.473 5.061 0 1 HKAF CC(=CCCC(C)=CCCc1ccoc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c1c(O)ccc2c1OC[C@H]1c3cc4c(cc3O[C@H]21)OCO4 2356752726 MNVKKIZBXXYHDP-RXFWQSSRSA-N 420.505 5.966 0 1 HKAF N[C@H](c1csc(Nc2cc(Oc3ccccc3)ncn2)n1)c1ccccc1Cl 61904007 IHYSRGBWSYEFAU-IBGZPJMESA-N 409.902 5.171 0 3 HKAF Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)N1CCC(Cc2ccccc2)CC1 95569199 XJYGKLXNILOIJB-MHZLTWQESA-N 412.577 5.938 0 3 HKAF Cc1cc(C)cc(NC(=O)O[C@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2[C@H]3Cc2ccccc2)c1 263590643 FHVOLIXZBSJYKZ-PKSHOOMXSA-N 418.581 5.726 0 3 HKAF CC(=O)[C@@H]1CC=C2[C@H](CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)[C@H]1C(C)=O 13651635 FMYJTJNSCOXCIK-JPMIEVGJSA-N 418.512 5.108 0 1 HKAF CC(=O)OC[C@H]1[C@@H]2CC[C@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccccc2)cc1)C3 26158527 KUMJBZOBGCDDHP-KFKDTKIMSA-N 401.550 5.421 0 1 HKAF Cc1cc(C)cc(-c2c(O[C@@H]3CCCN(C)CC3)c3ccc(Cl)cc3[nH]c2=O)c1 26579193 ACAQZLNOFLLWTO-LJQANCHMSA-N 410.945 5.328 0 1 HKAF C[C@@H]1CCC[C@@H](C)N1CCCCCN1C(=O)[C@@H](c2ccccc2)Oc2ccccc21 27407839 BWAAOARPNKBGHD-DNRQZRRGSA-N 406.570 5.587 0 1 HKAF CCOC(=O)c1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1N1CCCCC1 45496599 ZDJQBPDGPKKYSB-UHFFFAOYSA-N 404.485 5.722 0 1 HKAF Cc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12 63298231 AGYRJOAGMDIFKL-UHFFFAOYSA-N 410.399 6.201 0 1 HKAF CCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2c(C)ccc2C)c1C 66259245 UACMNCZEXUZPAD-UHFFFAOYSA-N 405.329 5.035 0 1 HKAF C[C@H]1CC[C@@]2(NC1)O[C@H]1C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 69482023 KWVISVAMQJWJSZ-KBSWHZDDSA-N 413.646 5.287 0 1 HKAF biogenic,in-vitro Cc1cccc(Nc2nc(-c3ccncc3-c3ccc(S(C)(=O)=O)cc3)cs2)c1 72114275 DFWDLCVCHLERMW-UHFFFAOYSA-N 421.547 5.328 0 1 HKAF Cc1ccc(Cn2c(C(=O)O)c(-c3ccccc3F)c3cc(Cl)ccc32)cc1N 72181330 IBJWQTIGNUIQPI-UHFFFAOYSA-N 408.860 5.738 0 1 HKAF COc1cc(CNc2cc(Oc3ccc4ccccc4c3)ncn2)cc(OC)c1OC 82067427 FMKRYNMXXIQRPE-UHFFFAOYSA-N 417.465 5.060 0 1 HKAF C[C@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccco2)n1 82165440 RRBNISHCKJLVBF-QFBILLFUSA-N 416.550 6.518 0 1 HKAF Cc1cccc(-c2nc(NCc3ccccc3C)sc2-c2ccc3ncnn3c2)n1 84740798 OXVQEZJDLGHTQA-UHFFFAOYSA-N 412.522 5.144 0 1 HKAF CCOc1cc(Oc2ccccc2)ccc1-c1nc(C2CCC2)n2ccnc(N)c12 95581426 YJFULYLPRJBTTN-UHFFFAOYSA-N 400.482 5.437 0 1 HKAF CCn1c(C)c(C)c2cc(-n3ccccc3=O)nc(NCc3c(C)cccc3C)c21 100100753 JHGFMOUZDYZILF-UHFFFAOYSA-N 400.526 5.053 0 1 HKAF Cc1cc(C)n(C[C@H]2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)n1 117318595 HSTHFIYASRGMSO-FZNQNYSPSA-N 413.871 5.161 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118916857 SGNBVLSWZMBQTH-LTOOUGIQSA-N 400.691 7.635 0 1 HKAF endogenous,in-man CN1C[C@@H](c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CC1=O 142575663 HDGGHNHZBMWNTP-HNNXBMFYSA-N 416.506 5.173 0 1 HKAF CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(F)cc2)nc2cc(F)ccc12 169334678 BPNIOAQVLUGSAF-VWLOTQADSA-N 412.524 6.116 0 1 HKAF COc1ccc(C2=C(c3ccc(OC)cc3)C(C)(C)Oc3cc(OC)ccc32)cc1 169345344 LIWQFYQEHLSVDY-UHFFFAOYSA-N 402.490 5.843 0 1 HKAF Cc1cc(OCC(=O)O)c(F)c(NCc2cc(-c3cccc(F)c3)ccc2F)c1F 218890393 SNTPDTGROOZNLA-UHFFFAOYSA-N 419.374 5.294 0 1 HKAF CC[C@H]1C=C2NC(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]3[C@H]12 261187937 YBSFMQHCAIWRPP-RPJMPRPSSA-N 413.690 7.348 0 1 HKAF Cc1ccc(-c2nc(O)ccc2-c2ccc(OCc3ccc4ccccc4n3)cc2)cc1 473161062 ZOZARLIUNCRDPV-UHFFFAOYSA-N 418.496 6.557 0 1 HKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc3ncccc3c2[nH]1 586981824 FQIKDJDYUGEFSA-INIZCTEOSA-N 408.343 6.246 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cccc4c3OC(F)(F)O4)nc3ccc(O)c1c23 586986864 PTINCNXKSDNEAL-UHFFFAOYSA-N 403.340 5.140 0 1 HKAF Cc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1C(F)(F)F 586992432 FTRHBQHKHNCPCI-UHFFFAOYSA-N 403.403 6.749 0 1 HKAF Nc1cc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c2cn1 587013663 WLFWVIJRPXNIRB-UHFFFAOYSA-N 417.925 5.575 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587034456 NCEBQIQMBVEAKC-OAHLLOKOSA-N 417.456 6.068 0 1 HKAF COc1cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc(Cl)c1O 587046368 PVPKHPWZZBGZAM-UHFFFAOYSA-N 410.701 5.635 0 1 HKAF Clc1ccc(-c2cccc3ccccc23)cc1-c1nc2ccc3ncccc3c2[nH]1 587050208 FRRZVRXVDJLCHT-UHFFFAOYSA-N 405.888 7.252 0 1 HKAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1 587077374 WDTIXUNVNGUJDQ-UHFFFAOYSA-N 424.209 6.323 0 1 HKAF CNc1cccc(-c2cccc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2)c1 587234757 IWLMHRBRRFUCBI-UHFFFAOYSA-N 418.369 5.988 0 1 HKAF Oc1nc(O)c2cc3c(nc2n1)-c1ccccc1[C@@H](c1ccc(Cl)c(Cl)c1)C3 587369067 SUOYULLCSZGJBZ-CQSZACIVSA-N 410.260 5.098 0 1 HKAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cccc(Cl)c1 587375893 ANFUPKJCZMYGDA-HSZRJFAPSA-N 423.896 5.525 0 1 HKAF C[C@]1(c2ccccc2I)CC(=O)c2ccc3c(c2O1)CCCC3 587502979 GVGTYXYLLMGGPY-HXUWFJFHSA-N 418.274 5.051 0 1 HKAF COC(=O)C[C@]1(c2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587509306 ROSPEVNDMUPXHQ-QFIPXVFZSA-N 418.411 5.008 0 1 HKAF C[C@]1(c2ccccc2CCCCF)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587559167 ZGCJFMISIPKTGQ-RCZVLFRGSA-N 406.453 5.561 0 1 HKAF CCc1ccc(-c2n[nH]cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587589021 MPBRQWKSBKTJCI-PXDATVDWSA-N 412.445 5.048 0 1 HKAF CC[C@@]1(c2ccc(OCC(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595474 OKJWASRRASWXJJ-BVAGGSTKSA-N 418.489 5.694 0 1 HKAF CC(C)Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1cccc(Cl)c1 587626433 SRNLIZJTRZQXGK-UHFFFAOYSA-N 419.796 7.724 0 1 HKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cc(C(F)(F)F)ccc1F 587659106 XSMHZVCKUUWNTN-UHFFFAOYSA-N 402.322 5.350 0 1 HKAF Cc1cc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c2c(C)ccc(C)c2n1 587659930 LBMXGZAJNBXJSJ-UHFFFAOYSA-N 409.464 5.665 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2C[C@H]2c2ccccc2Cl)N1 587700719 WFMAYXFOAKESEG-DENUUSLYSA-N 408.742 5.795 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3cccc(F)c3)s2)N1 587728438 DZDQGNIMRMDFIU-XTZNXHDOSA-N 421.310 5.474 0 1 HKAF CC1=C(/C=C/[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)CCC1 587816093 UBLPQJQPTHDFLX-SIMRDELWSA-N 406.383 6.420 0 1 HKAF Cc1cc2cc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)oc2cc1C 587831689 XWMBYACXSISDPN-ZSEKCTLFSA-N 402.307 5.749 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CSc2ccc(Cl)cc2)N1 587848842 YIBWIZAJMGBYFY-ADLMAVQZSA-N 414.771 5.783 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCCC3)s2)N1 587850158 XQYHZDFQPYLNAX-BLVKFPJESA-N 409.368 5.264 0 1 HKAF Cc1nc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cs1 587856249 XBDPPAQXMXQFRF-YYSFKGJASA-N 423.376 5.705 0 1 HKAF COc1ccc(-c2ccc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)c(O)c2)cc1OC 587927534 QBWLPPVMCUDGFF-UHFFFAOYSA-N 403.482 5.312 0 1 HKAF COc1ccc(-c2ccc(-c3nc4c(Cl)ncc(Cl)c4[nH]3)cc2)cc1OC 587928888 OTBYIOJUCMKJDA-UHFFFAOYSA-N 400.265 5.616 0 1 HKAF COc1ccc(C2(c3nc4cc(Br)c(C)nc4[nH]3)CC3(CCC3)C2)cc1 587938559 XGAGVECLBIWBPL-UHFFFAOYSA-N 412.331 5.288 0 1 HKAF CC(C)c1ccc(-c2cc(O)n(-c3cnc(Cc4ccc(F)cc4)nc3)c2O)cc1 587947003 PYMPTJVVSNSMSM-UHFFFAOYSA-N 403.457 5.199 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccnc(Cl)c2[nH]1 587948817 JLEUDOOVRJCWOC-ZRGWGRIASA-N 411.933 5.896 0 1 HKAF c1ccc(CC2CCN(C[C@@H]3CO[C@@](c4ccccc4)(C4CCCCC4)O3)CC2)cc1 653704229 UYTAEJUXLDFEPH-VSGBNLITSA-N 419.609 5.790 0 1 HKAF COc1ccc2c(c1OC)[C@@](C)(c1cc(Cl)cc(Br)c1)N(C)[C@H](C)C2 962561539 DARYFOQWFKZLKU-MPBGBICISA-N 424.766 5.260 0 1 HKAF COc1ccc2c(c1OC)[C@H](c1cc3cc(Cl)ccc3nc1Cl)N(C)[C@H](C)C2 962639213 VITABROWUMYDSY-ODXCJYRJSA-N 417.336 5.525 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(C[C@](N)(c2ccc(F)cc2)C(F)(F)F)N1 962949680 QHUFXWBCMOSLAD-XGRCMKMKSA-N 419.466 5.253 0 1 HKAF CCCCCCOc1ccccc1[C@@H]1c2ccsc2CCN1Cc1cccnc1 962994219 CIVBTNACPJOZHJ-RUZDIDTESA-N 406.595 6.250 0 1 HKAF CCCc1ccc([C@@]2(c3ccc(C)nc3)N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1 963610403 PGPOPMJEBJPEIN-WINIVTDRSA-N 416.565 5.186 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1c(C(C)(C)C)[nH]c2c(C)ccc(F)c12 963639346 UYDSTRDWMGFWJW-PSLXWICFSA-N 410.533 5.554 0 1 HKAF Oc1nc(SCc2ccc(Cl)cc2)nc(SCc2c(F)cccc2F)n1 1857555156 BECADMCWPYAODS-UHFFFAOYSA-N 411.886 5.093 0 1 HKAF CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(F)(F)C(=O)c1ccc2ccccc2c1 1857767466 SGLNKRGDFVBCET-HXUWFJFHSA-N 411.448 5.924 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CCC2=C3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 2356306590 GZBHQYMDTNXBIZ-SEELHESKSA-N 414.674 6.526 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCn1cnc2c1c(=O)ncn2C 2356484616 BHYQZFHZTSSPDK-UHFFFAOYSA-N 422.617 6.276 0 1 HKAF CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CCCC(C)(C)[C@@H]5C(=O)C[C@@]43C)[C@]2(C)CC1 2356712083 OZFAGHUNGAZEMO-FAMBZYNZSA-N 424.713 8.377 0 1 HKAF CC[C@H](C)C(=O)NCCc1c2[nH]c3ccccc3c3ccnc(c4ncsc14)c23 13432831 MZDWEKUMUXAYRL-ZDUSSCGKSA-N 402.523 5.184 0 1 HKAF biogenic COc1ccccc1C(=O)N1c2ccc(F)cc2[C@@H](Nc2ccc(F)cc2)C[C@H]1C 13490207 YBASPVAHLJGYNX-VFNWGFHPSA-N 408.448 5.566 0 1 HKAF CC(C)=CCC[C@@]1(C)C=Cc2c(ccc3c2OC[C@@H](c2cc4c(cc2O)OCO4)C3)O1 14614049 CBOJKMZBEYAWFP-QYBDOPJKSA-N 420.505 5.750 0 1 HKAF biogenic COc1ccc(C2=NN(c3ccccc3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC1CCCC1 26153720 CMEUONJHZIAWNP-FCHUYYIVSA-N 416.521 5.350 0 1 HKAF O=C(NC1CCCCC1)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)o1 28121437 HCQDJFJVOUQGDH-UHFFFAOYSA-N 415.320 6.378 0 1 HKAF COc1cc(/C(C)=C/C=C/C=C/C=C/c2[nH]ccc2Br)oc(=O)c1C 28637662 KBQKGOONYFCSHH-NBWHIMRISA-N 402.288 5.277 0 1 HKAF CCCCN(CCCC)CCOc1ccc(-c2csc(-c3ccccc3)n2)cc1 29478022 QJGGZNRNNXGOSP-UHFFFAOYSA-N 408.611 6.758 0 1 HKAF O=C(/C=C/c1ccc(Cl)cc1)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 39233056 VSZUBNPCTJRESX-FOZGUINQSA-N 421.711 5.841 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](CO)[C@@H]1CC3 40165507 UPEGTKGKNWDIAN-NUESBDPTSA-N 416.690 6.751 0 1 HKAF in-vitro O=C(O)c1ccccc1Nc1ccc(CCc2ccc(F)c(C(F)(F)F)c2)cc1 40420510 KRCFKBXSBOUAFC-UHFFFAOYSA-N 403.375 6.072 0 1 HKAF CCCC[C@H](Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)O 40866786 NTRIATJKIWCACK-HNNXBMFYSA-N 402.907 5.157 0 1 HKAF C[C@H](CNCCCN(C)C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 45349692 BGCFYQRXGUZBNZ-SKCNUYALSA-N 416.694 5.104 0 1 HKAF Clc1ccc(-c2cc(-c3ccc(Cl)o3)cc(-c3ccc(Cl)s3)n2)cc1 45372016 WCGGPFRZFIKANQ-UHFFFAOYSA-N 406.721 7.697 0 1 HKAF COc1ccc(-c2cccc3c2CC[C@H]2[C@H]3c3cc(O)c(Cl)cc3CCN2C)cc1 45375251 PZVTYIIWLUKKIK-AZGAKELHSA-N 419.952 5.656 0 1 HKAF CC(C)=CCC/C(C)=C/COc1ccc(/C=C/c2nnc3c4ccccc4cnn23)cc1 66114441 WNVUVFJHRZINBE-HDNIMXTOSA-N 424.548 6.519 0 1 HKAF C[C@H](NCc1coc(-c2ccccc2Br)n1)c1cccc2ccccc12 72103568 CIPOSSXWGILRRE-HNNXBMFYSA-N 407.311 6.108 0 1 HKAF O=C(/C=C/c1cccs1)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 72108769 QCXGPXCCRSBZGD-VQHVLOKHSA-N 406.898 5.740 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@H](O)C1=C[C@@H]3O 72183992 NEITZYUKMAAGFE-VAZMUPJVSA-N 418.662 5.330 0 1 HKAF O=C(c1ccccc1)[C@H](c1c[nH]c2ccc(Cl)cc12)[C@H]1C(=O)Nc2ccccc21 73139223 WIHJWZSQXPIACN-YADHBBJMSA-N 400.865 5.524 0 1 HKAF c1ncn(-c2ccc(Oc3cncc(NC4CCCCCCCCCCC4)n3)cc2)n1 82068803 VJHZHPCOMGSBSJ-UHFFFAOYSA-N 420.561 5.935 0 1 HKAF CCOP(=O)(OCC)[C@H](Cc1ccc(F)cc1)c1csc2ccc(F)cc12 84587599 RWLYTJLZPCIJNE-LJQANCHMSA-N 410.422 6.729 0 1 HKAF CC(C)=CCC[C@@]1(C)C2=C(CC[C@@H]1O)[C@](C)(Cc1c[nH]c3ccccc13)[C@@H](C)CC2 85978440 OCYNSSRIJRLWML-QGQKXLEHSA-N 405.626 7.351 0 1 HKAF Fc1cccc(F)c1-c1nc2ccn(Cc3ccc(Br)cc3)cc-2n1 100068435 YNAHSHMHGLWWNC-UHFFFAOYSA-N 400.226 5.139 0 1 HKAF CC[C@H](Nc1cccc(CN2CC[C@@H](C(=O)O)C2)c1C)c1ccc(Cl)c(C)c1 118387172 JRPSBEQHUGSUPV-CTNGQTDRSA-N 400.950 5.427 0 1 HKAF C[C@@H]1[C@@H](O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(c5cncc(C(F)F)c5)=CC[C@H]4[C@@H]3CC[C@H]12 141071810 RBGBTXNNGSQRNJ-KJNFXHJOSA-N 415.568 6.662 0 1 HKAF CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)C(=CC[C@@]21C)O3 142365192 CINZVIXZRUAXFE-QRRJTRSLSA-N 412.658 7.262 0 1 HKAF CC(C)CNc1nc(C2CCCC2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12 200564127 GDDXHFSKRBPXJI-UHFFFAOYSA-N 417.557 5.014 0 1 HKAF O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Oc2cccc(F)c2)cc1 205311261 RNXHZZQMRXNWSJ-UHFFFAOYSA-N 408.860 5.725 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc(Cl)c(C)c2)n1 205838013 KIIISZQMKIVXPA-INIZCTEOSA-N 417.944 5.987 0 1 HKAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCc1c[nH]c2ccccc12 238744193 IFIHQODEQMQNRX-HZJYTTRNSA-N 423.641 8.067 0 1 HKAF Cc1cccc(N2C(=N)S/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)n1 299870899 XCIBXPAPEGUCCB-KWKLDLJFSA-N 401.491 5.025 0 1 HKAF O=C(CCc1ccc(-c2ccccc2C(F)(F)F)cc1)Nc1ccccc1C(=O)O 473099419 GMSKKTOXMRVRIS-UHFFFAOYSA-N 413.395 5.642 0 1 HKAF CCCCOc1cc2[nH]c(-c3oc4c(c3C)[C@H](O)CCC4)nc2cc1Br 586904727 ACOUEHBMTLCEEP-OAHLLOKOSA-N 419.319 5.442 0 1 HKAF O=C(Nc1ccc(-c2nc3c(F)cccc3[nH]2)cc1)c1ccc(Br)cc1 586983860 KDSNZKKWLNZRGA-UHFFFAOYSA-N 410.246 5.384 0 1 HKAF Cc1onc(-c2nc3cc(Br)ccc3[nH]2)c1COc1ccc(Cl)cc1 587076333 QGENKAAOFNXTLY-UHFFFAOYSA-N 418.678 5.521 0 1 HKAF FC(F)(F)Oc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1Cl 587076899 ZJZRMCBBUXOJBR-UHFFFAOYSA-N 414.174 5.016 0 1 HKAF O=C(CCCc1nc2cccc(OCc3ccccc3)c2[nH]1)c1ccc(Cl)cn1 587081589 QXEQZHOMQSIADD-UHFFFAOYSA-N 405.885 5.396 0 1 HKAF Clc1nc(-c2nc3ccc(I)cc3[nH]2)cc2ccccc12 587085950 POQUEMRUBPSESV-UHFFFAOYSA-N 405.626 5.036 0 1 HKAF CCCC[C@H](OC)c1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587098101 UZSVWONKDTYPNG-SANMLTNESA-N 421.540 7.299 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@@H](C(=O)c1ccccc1)CCC4)-c1ccccc1C2=O 587102285 ZYENCAUYDRMRPL-QFIPXVFZSA-N 403.481 6.057 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@H]4C[C@H]4c4cccc(F)c4)[nH]c3c2)cc1 587161284 MALUPBDZVLSFBC-PMACEKPBSA-N 402.425 5.552 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587233394 NVYQXZFBDMHZMP-DGCLKSJQSA-N 417.859 5.786 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2Nc2ccccc2)[C@H]1c1ccc(F)cc1 587340615 WFFPNUKHNZSAIA-GNKBHMEESA-N 417.480 5.684 0 1 HKAF CC[C@]1(c2ccc(OC)cc2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350195 JZWABEKCLMXRHX-UKILVPOCSA-N 422.452 5.213 0 1 HKAF Cc1cc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1C=O 587350205 DIJHAJDIFQKNHV-AOYPEHQESA-N 418.464 5.543 0 1 HKAF CC(C)[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587356038 YRRQNVJINUCNBF-NZJKTDFXSA-N 402.465 5.929 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](Nc2ccccc2)CCC3)c1 587363521 SSTKFCLJKOPGBO-QHCPKHFHSA-N 420.512 7.146 0 1 HKAF CCCCC[C@@]1(c2ccc(OC(F)(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587383802 VNGFPOCHFJPYEZ-NRFANRHFSA-N 407.432 5.917 0 1 HKAF COc1ccc(Nc2nc(Cl)c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)s2)cc1 587412199 HWHZLZPPBJGQIZ-MRXNPFEDSA-N 415.902 5.146 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(O)[nH]c3cc(Br)ccc13)CC2=O 587459288 NSSFDVIPAIAXGH-KRWDZBQOSA-N 416.271 5.001 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc3c(cc1C)C(C)(C)[C@H](C)C3(C)C)CC2=O 587491276 VMMKAELSMGSFOT-YMGMXPECSA-N 420.593 6.739 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(C)ccc2Sc2ccc(N)cc21 587496923 AVRXSUCRBMXFKT-RUZDIDTESA-N 417.530 5.609 0 1 HKAF COc1ccc([C@]2(Cc3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587505436 IQIGPIFQMVTBQU-MHZLTWQESA-N 416.492 5.817 0 1 HKAF C[C@]1(c2c(Cl)ccc(Br)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587506848 QAUKPONLSMAVMA-HXUWFJFHSA-N 423.709 6.001 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ccc2ccncc12 587549941 UAEWFQMIRZDXEE-NZQKXSOJSA-N 403.821 5.297 0 1 HKAF CCOC(OCC)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587590666 ACLBNNNXPMELIU-ZJSXRUAMSA-N 420.461 5.167 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(N3CCNCC3)c2c1 587638649 HJTZHARLVWSORR-OAHLLOKOSA-N 412.375 5.521 0 1 HKAF Cc1cc(C(F)(F)F)cc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587655403 GAZSQEAIGVMNQH-UHFFFAOYSA-N 417.337 5.053 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/C=C/c2ccc(Cl)cc2)N1 587694061 GDIYHASLKGOLBO-JJTTUIIDSA-N 406.726 6.087 0 1 HKAF Cc1oc(-c2ccccc2)nc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587773428 ILETUEWAAPYLRS-XUSGNXJCSA-N 415.306 5.349 0 1 HKAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12 587811654 XAWVRMNUEZSZET-WHEQGISXSA-N 414.318 5.548 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587815425 MRPZWRPTTDJCCV-MZNJEOGPSA-N 424.357 6.031 0 1 HKAF C/C=C\[C@]1(C2=C(C)C=CCC2(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587816008 SIXWYVGNVTUNEC-PIKTXBHYSA-N 404.367 6.196 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2C[C@@H]3C=C[C@H]2C3)N1 587817280 BFRPDXSBRHCZQC-MWEKXDPSSA-N 412.346 5.578 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=Cc3c(ccc4ccccc34)OC2)N1 587836123 RSDWUVQHERXQEK-NPMABZOXSA-N 424.313 5.793 0 1 HKAF CCC[C@@]1(c2ccc(Cl)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 587845817 FXTUOPBYYJBCKM-QGHHPUGFSA-N 402.760 5.881 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 587848992 QQBSSXAPANDSGL-YEJXKQKISA-N 416.359 6.249 0 1 HKAF C[C@H](c1nc2ccccc2s1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587859701 YKUWEQWDHNACNT-FKANQGBASA-N 419.363 5.751 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(Cl)nc(SC)n1 587860421 VQYZNULXAFYKCD-UHFFFAOYSA-N 415.733 5.410 0 1 HKAF COc1ccc(/C=C\Cc2nc3cccc(OCc4ccccc4)c3[nH]2)c(OC)c1 587931219 ZSYNDBCKCUWUHY-POHAHGRESA-N 400.478 5.415 0 1 HKAF COc1cccc([C@@H](C)Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 587931823 OPZNPNBPBOBCJS-JTQLQIEISA-N 402.338 5.955 0 1 HKAF CCCOc1cc2nc(C[C@H](C)c3cccc(OC)c3)[nH]c2cc1Br 587932281 RVANDCSYXVDNHM-ZDUSSCGKSA-N 403.320 5.469 0 1 HKAF C/C(=C\c1nc2c(I)cnc(Cl)c2[nH]1)C1CCCCC1 587969236 WZMXSWALIVNUSZ-VQHVLOKHSA-N 401.679 5.200 0 1 HKAF c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@H]3c3cnc(C4CCCC4)s3)C2)cc1 962630567 KDKKQXIWCYQABN-DHLKQENFSA-N 415.606 5.637 0 1 HKAF CC(C)C[C@]1(c2ccnc(Cl)c2)c2cccc(F)c2CCN1[C@H]1CCSC1 962706787 OOAQLEVIGPMTKT-JTSKRJEESA-N 404.982 5.527 0 1 HKAF COc1ccccc1[C@@]1(c2cccc(C)c2C)NCCc2cnc3c(OC)cccc3c21 963039018 SVQYHMRBYYVSCP-MUUNZHRXSA-N 424.544 5.306 0 1 HKAF CCSc1ccc([C@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)c(Cl)c1Cl 963102446 KFGOWXOOQJDDGK-BTYIYWSLSA-N 410.385 6.529 0 1 HKAF Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2c3c(F)cccc3C[C@@H]3CCCN32)cc1 963104524 HYOCQYOHTKSUEQ-FIPFOOKPSA-N 423.535 6.097 0 1 HKAF COc1ccc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)cc1OCc1ccccc1 963108119 MQNPPWYPUFJMIP-QHCPKHFHSA-N 414.332 5.816 0 1 HKAF Oc1ccc2cc1Oc1ccc(cc1)/C=C\c1cccc(O)c1Oc1ccccc1CC2 1772580478 KPDAKMUWQKYMJC-ZSOIEALJSA-N 422.480 6.951 0 1 HKAF CCCOc1ccc([C@@H]2[C@@H]3C(F)=CC=C(F)[C@H]3C(=O)N2c2ccn3ccnc3c2)cc1 1772644940 MTQAERATFNWYIK-DNVJHFABSA-N 421.447 5.164 0 1 HKAF COc1cccc2[nH]ccc(=Nc3cc(-c4cc(Cl)ccc4F)ncc3C3CC3)c12 1772650837 HVRFIUCOAUZNBY-UHFFFAOYSA-N 419.887 6.141 0 1 HKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2[C@@H](OC(C)=O)[C@](C)(OC)CC1 1857656711 QNQVIRAZQPCQEB-ISKFKSNPSA-N 402.531 5.180 0 1 HKAF Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(=O)cc(-c4ccccc4)oc3c2)c(C)c1 1911574506 YYTRBOXSWSKPID-UHFFFAOYSA-N 419.502 5.186 0 1 HKAF C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 2356488323 INLFWQCRAJUDCR-DWPATOJKSA-N 400.647 6.823 0 1 HKAF CCC[C@H](O)CCCCCCC1=C2C[C@H](OC(=O)C=CSC)[C@@H](C)N[C@H]2CCC1 2356795464 MBIHDNYJAYBQJI-VLSUOOLDSA-N 423.663 5.507 0 1 HKAF CC1=CC2=C(C)C=Cc3oc4c(Br)cc(Br)cc4c3[C]2O1 2356807230 MGOAQLDDCUQCNY-UHFFFAOYSA-N 407.081 6.115 0 1 HKAF C[C@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1)c1ccc(F)cc1 4207896 VXIZISJDKXZYAZ-XFEAKLGESA-N 422.887 5.448 0 1 HKAF COc1ccc(Nc2ncc(C(=O)Nc3cccc(Cl)c3)c3ccccc23)cc1 4734195 ZCSNFVQCKVEFII-UHFFFAOYSA-N 403.869 5.893 0 1 HKAF aggregator O=[S@@](Cc1cc(Oc2cccc(C(F)(F)F)c2)ccn1)c1nc2cscc2[nH]1 13448776 NLOWTJMSDDKCIC-MUUNZHRXSA-N 423.441 5.138 0 1 HKAF CC/C(=C(\c1ccccc1)c1ccc(S(C)(=O)=O)cc1)c1ccc(OC(C)=O)cc1 13585499 ZOXHROWEZOQRRD-IZHYLOQSSA-N 420.530 5.385 0 1 HKAF Cc1ccc(N(C(=O)Nc2ccccc2)[C@H](C)c2nc3ccccc3c(=O)[nH]2)c(C)c1 13652449 DNCWQCPKPXRZQQ-GOSISDBHSA-N 412.493 5.340 0 1 HKAF CC(C)CC(=O)OCC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)O)O2 15165039 ZEDXXHHRKVXEAL-LJYZBVLISA-N 420.590 5.521 0 1 HKAF biogenic O=C1C[C@@](CCc2ccccc2)(c2ccccc2)OC(=O)[C@H]1Sc1ccccc1 17748437 GQFUOEUKVURDSZ-ZCYQVOJMSA-N 402.515 5.192 0 1 HKAF C[C@@H]1C(=O)c2c(n(O)c3ccc(Cl)cc3c2=O)C[C@@H]1c1ccc(C(F)(F)F)cc1 27089443 QLVIVHXZZLRTME-HZMBPMFUSA-N 421.802 5.070 0 1 HKAF CCN(CC)[C@H](C)CCCNc1nccc(NCc2ccc(Cl)cc2Cl)n1 28817863 HILQSLVIBNFOMC-OAHLLOKOSA-N 410.393 5.318 0 1 HKAF Cc1c(Cc2nc3c4c(ccc3c(C(=O)O)c2O)CCCC4)sc2ccccc12 35087121 CXOOLMUIJPWCJA-UHFFFAOYSA-N 403.503 5.631 0 1 HKAF COC(=O)c1cccc(-c2cnc(C(=O)CCCCCCc3ccccc3)s2)n1 40403324 CANGVJKLFAPHJI-UHFFFAOYSA-N 408.523 5.368 0 1 HKAF Cc1ncccc1C(=O)Nc1ccc(-c2cccc(-c3nc4cccc(C)c4[nH]3)c2)cc1 45301786 YHYDSSVWHQFZGS-UHFFFAOYSA-N 418.500 6.161 0 1 HKAF Cc1cccc2nc(-c3ccc(-c4cccc(CN5C[C@H](C)O[C@@H](C)C5)c4)s3)[nH]c12 45335050 AUOLLLFAOWZCJF-ROUUACIJSA-N 417.578 5.876 0 1 HKAF CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)OCc2ccccc2)c2ccccc21 49785107 SGMQSXYNZSKAJM-UQBPGWFLSA-N 414.505 5.716 0 1 HKAF COc1cc(N[C@@H](C)CCCN)c2nc(C(F)(F)F)cc(C)c2c1-c1ccccc1 66100428 RTNWOPWVTWPXDA-HNNXBMFYSA-N 417.475 5.777 0 1 HKAF CN(C)C[C@H]1CCc2cc(NC(=O)c3ccc(-c4cccc(Cl)c4)cc3)ccc2C1 72114174 QXQYXUMJJNTKCX-SFHVURJKSA-N 418.968 5.926 0 1 HKAF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccccc1F 82150586 HCFFEOUYURKPGV-JTSKRJEESA-N 424.564 5.583 0 1 HKAF Clc1cccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3ccco3)n2)c1 82165578 GIJVXFOVWLQFPI-UHFFFAOYSA-N 418.909 6.279 0 1 HKAF NC(=O)c1ccccc1Nc1cccc(OCCc2cccc(C(F)(F)F)c2)c1 95574803 NWUVDEJCOTWQPH-UHFFFAOYSA-N 400.400 5.169 0 1 HKAF c1ccc2c3c(ccc2c1)O[C@@H](c1c[nH]c2ccccc12)N[C@@H]3c1c[nH]c2ccccc12 98084486 BIRPDCCULMGMTN-IZLXSDGUSA-N 415.496 6.573 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@H]1/C(=C/c1ccc(-c4ccc(OC)cc4)s1)CN2C3 100950880 MJYUGDRYDHXYRF-OYEYQQEBSA-N 423.578 5.101 0 1 HKAF Brc1cccc(Cn2cc(-c3ccc4oc5ccccc5c4c3)nn2)c1 103237286 OYXKHRUMOMQSQC-UHFFFAOYSA-N 404.267 5.655 0 1 HKAF CCC[C@@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc2c(c1)OCO2)CCCC3 113123714 GBHSAHKMCAYTJQ-MRXNPFEDSA-N 423.534 5.848 0 1 HKAF O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(-c2cccc3cnccc23)c1 113795943 KVDCTSSPZCGCAJ-UHFFFAOYSA-N 402.837 5.506 0 1 HKAF CCCOC(=O)Nc1cc2nc(C3CCCCC3)[nH]c2cc1SCc1ccccc1 144233898 RBSYLQYKKVCKHD-UHFFFAOYSA-N 423.582 6.861 0 1 HKAF Cc1c(CCC(=O)O)ccc(OCc2c(Cl)ccn2-c2ccc(Cl)cc2)c1C 225942348 PAWPIOQYJRXLHZ-UHFFFAOYSA-N 418.320 5.997 0 1 HKAF O=C(COC(=O)[C@@H](O)CCCCCCCCCC1CCCCCC1)c1ccccc1 238739095 AREDOQGUDJBGRZ-DEOSSOPVSA-N 416.602 6.255 0 1 HKAF O=C1c2ccccc2-c2ccc(N[N+](=O)c3ccc4c(c3)C(=O)c3ccccc3-4)cc21 377829931 JSNDZHZWPXDSIA-UHFFFAOYSA-O 403.417 5.547 0 1 HKAF O=Cc1ccc(OCc2occc2-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 586900396 JDSQBLQXEYGIHT-UHFFFAOYSA-N 424.456 5.793 0 1 HKAF CSc1sc(-c2nc3cc(C)cc(C)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586920246 OFPPIWJXWCNPFG-UHFFFAOYSA-N 415.005 5.466 0 1 HKAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(C(C)(C)C)c2[nH]1 586935596 FJJUTOQFAKSHJO-GOSISDBHSA-N 419.978 5.189 0 1 HKAF COc1cc(/C=C\c2nc3ccc(Br)cc3[nH]2)ccc1Br 586977080 NDQFQPQPFBLNES-CLTKARDFSA-N 408.093 5.267 0 1 HKAF O=C1c2ccccc2-c2c(Cc3ccc(OC(F)(F)F)cc3)cnc3ccc(O)c1c23 586985917 HHZISQRKNFDYBG-UHFFFAOYSA-N 421.374 5.641 0 1 HKAF Cc1ccc2c3c(cc(CC(=O)N[C@@H](C)c4ccccc4)nc13)-c1ccccc1C2=O 586996852 QARZZJCVIIUVCV-KRWDZBQOSA-N 406.485 5.175 0 1 HKAF Cc1ccc2c3c(c(CCC(=O)Cc4ccc(F)cc4)cnc13)-c1ccccc1C2=O 586996932 WKAXVIMVTGJRIU-UHFFFAOYSA-N 409.460 5.638 0 1 HKAF Fc1cc2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2cc1Br 587032584 KYNQOYCWGHJIIX-UHFFFAOYSA-N 402.292 5.472 0 1 HKAF CCCOc1cc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1Br 587070581 QSWLDDRZRYORGD-CYBMUJFWSA-N 422.754 5.053 0 1 HKAF Clc1ccc(-c2cnccc2-c2nc3c(Cl)cc(Br)cc3[nH]2)cc1 587073975 ONZFAWUDRXMEKR-UHFFFAOYSA-N 419.109 6.361 0 1 HKAF Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cnccc3[nH]2)cc1 587077625 UYUYYCWZVDGZSN-DTQAZKPQSA-N 408.892 6.313 0 1 HKAF COc1cc2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)[nH]c2cc1OC 587112762 CQJYQZKNEAJVGP-UHFFFAOYSA-N 414.383 6.058 0 1 HKAF COc1cc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cc1Cl 587128862 DVICLPHQZWFMQT-YFKPBYRVSA-N 411.186 5.559 0 1 HKAF O=C(c1nc2cc(F)c(Br)cc2[nH]1)c1c(Cl)ccc(F)c1Cl 587132539 CVJDDURBPFGOIQ-UHFFFAOYSA-N 406.013 5.141 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cnc5ccccc5c4[nH]3)cc2F)c1 587144439 XMVHTTUEESHFKF-UHFFFAOYSA-N 413.408 5.291 0 1 HKAF Fc1ccc(-c2ccsc2-c2nc3c(I)cccc3[nH]2)cc1 587163057 FZBMZJXOAQDDBM-UHFFFAOYSA-N 420.250 5.702 0 1 HKAF C[C@]1(c2c(F)ccc(F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332588 LWPROIMPJVDAKT-AVRDEDQJSA-N 402.343 5.223 0 1 HKAF COc1cccc(-c2cc(-c3cc(C)c(OC)cc3C)nc3c2oc2ccccc23)c1 587363354 RKOXAXBAQRCOQN-UHFFFAOYSA-N 409.485 6.949 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4cccc(Cl)c4)cc1)[C@@H](C2)C3=O 587422169 XDBGPISNTZIGMP-GBXCKJPGSA-N 406.865 5.416 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)ccc(Br)c1F)CC2=O 587468692 YZMCFJHTYPICBF-OAHLLOKOSA-N 413.670 5.606 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCc1ccc(F)cc1)CC2=O 587469663 BPTSJUGLRXPSJU-DEOSSOPVSA-N 406.453 5.769 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(F)cc3)nc3sccn13)CC2=O 587469691 BXKZTKFJZAHVEB-IBGZPJMESA-N 422.481 5.567 0 1 HKAF O=C1C[C@H](c2ccc(-c3cccc(Br)c3)o2)Oc2c1ccc1c2CCCC1 587495616 DLEQGQLHKJGZGE-JOCHJYFZSA-N 423.306 6.294 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc3nc(C)sc3c1)CC2=O 587495668 PTCBKDKBHHULDP-QHCPKHFHSA-N 424.522 5.016 0 1 HKAF CCc1nccn1Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC 587512496 OOPYBQNMEMWLSJ-DEOSSOPVSA-N 416.521 5.088 0 1 HKAF O=C1C[C@@H](c2ccc(Sc3nc4ccccc4[nH]3)o2)Oc2c1ccc1c2CCCC1 587531231 GVGZQGPDSGBHEN-NRFANRHFSA-N 416.502 5.892 0 1 HKAF C[C@@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540527 AXXLNUKWKHMFKP-RXVVDRJESA-N 401.245 5.576 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(F)cc1F 587566746 ASPYGCUYJWSUOW-QPPBQGQZSA-N 419.383 5.164 0 1 HKAF COc1ccccc1[C@@]1(C2CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599982 JTYAYCZKKOPSDR-ZEQKJWHPSA-N 416.473 5.448 0 1 HKAF Cc1cc(C)cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 587603417 OJXANZOCLHPOQS-LEAFIULHSA-N 422.480 6.379 0 1 HKAF Cc1cccc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)c2cc(Cl)ccc2O)c1 587624422 LUDPQFIWXWMHSK-UHFFFAOYSA-N 410.300 6.695 0 1 HKAF CCOC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1cc(Cl)ccc1Cl 587628949 WFYUXMVLUGWFEU-UHFFFAOYSA-N 414.647 5.675 0 1 HKAF Nc1c(Cl)cc(Cl)cc1C(=O)Oc1c(-c2ccccc2)[nH]c2cc(F)ccc12 587632915 NQGYRQYGPUHHIR-UHFFFAOYSA-N 415.251 6.082 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C)c(C34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)c2c1 587639535 ZALKDKAQYVMOIO-GOVXZFTMSA-N 400.404 6.975 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)ccc2Cl)N1 587692745 LOWPYCBNTVWPHF-XLFHBGCDSA-N 403.122 5.693 0 1 HKAF CC(C)[C@@]1(Cc2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587700868 SZFCQPRQLOMOQQ-RNODOKPDSA-N 410.758 5.870 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)(F)F)nc2Cl)N1 587712453 KRFNJZXRZNSRDQ-UOWDBTKRSA-N 423.635 5.279 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCSc3c(F)ccc(F)c32)N1 587737216 YVMHTGYEKVGUEW-YYSFKGJASA-N 414.290 5.140 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C[C@@H](C)c2cn(C)c3ccccc23)N1 587760653 ZSNNPVBZFUMEKF-LKBUQDJMSA-N 415.350 5.849 0 1 HKAF Cc1cc(C)c2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc2c1 587784145 MWABLCOHESBXQU-UHFFFAOYSA-N 418.540 7.017 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNc3cc4ccccc4cc32)N1 587789958 CFIMEIMCQBWRNB-XMHCIUCPSA-N 411.318 5.335 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H](Cc3ccccc3)C2)N1 587818988 UCMTWBIIXTUREY-ZDPZECHZSA-N 402.351 5.751 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCC3)Oc3ccccc32)N1 587837683 KGWKHVUXJGOOAO-YEJXKQKISA-N 402.307 5.071 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2C[C@H]2c2ccc(Cl)s2)N1 587850403 YVBMLUPGBLFMQJ-YLZOEATKSA-N 414.771 5.856 0 1 HKAF O=C(Nc1ccccn1)C1CCN(c2cccc(-c3cc4cc(F)ccc4[nH]3)c2)CC1 618017200 ILAQKVFHRBQOIG-UHFFFAOYSA-N 414.484 5.224 0 1 HKAF CC[C@@H](C)OCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc21 653808776 WPVFPWQKXIMKSR-QGZVFWFLSA-N 410.514 5.222 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CC)(c2cc(Br)c(C)s2)N1 962953262 LAICRJCRRKOEGC-ZUOKHONESA-N 403.389 5.878 0 1 HKAF Cc1cccc(C)c1-c1cccc(COc2ccc([C@H](CC(=O)O)C3CC3)s2)c1 1772638179 FQEVYRYSOCPUIK-OAQYLSRUSA-N 406.547 6.579 0 1 HKAF CCC[P@@](=O)(Oc1ccccc1)[C@H](CC(C)C)NC(=O)OCc1ccccc1 1911573292 NDVFUMZQTGXLKI-LYZGTLIUSA-N 403.459 6.052 0 1 HKAF CC(C)[C@H](C)[C@@]1(C)C[C@H]1[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2356347419 HMDSENZCYXUARJ-SVXRLUGASA-N 412.746 8.990 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@]1(O)C[C@H]3O 2356424266 LNNXWNOUIHYAOR-HQMYZPJJSA-N 420.678 5.554 0 1 HKAF CC(C)=CCC[C@@]1(C)C=Cc2c([C@H]3CC(=O)c4c(O)cc(O)cc4O3)ccc(O)c2O1 2356451870 UWMYFCSRNMSQCQ-BWKNWUBXSA-N 422.477 5.421 0 1 HKAF CC=C(CC=C(C)C)[C@@H](C)CC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C 2356607972 YKTUEIIONGIOBY-LJAQVGFWSA-N 410.730 10.461 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356623022 QZEVHCZWWYKVHL-AFAADKLXSA-N 412.702 7.801 0 1 HKAF COc1cc(O)c2c(c1Cc1ccc(O)cc1)CCc1c-2ccc(O)c1CC=C(C)C 13480524 IJDKBQQHHQGECV-UHFFFAOYSA-N 416.517 5.677 0 1 HKAF biogenic OC[C@H](Nc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12)c1ccccc1 13646299 CCGBAJCQZPJWCS-NRFANRHFSA-N 407.473 5.702 0 1 HKAF O=C(O)[C@@H]1CCCN(CCCCCCCCN(c2ccccc2)c2ccccc2)C1 13801358 JKMSCFQROYTOOZ-HSZRJFAPSA-N 408.586 5.962 0 1 HKAF c1ccc(CN2CCC(CCNc3ccc(-c4ccc5ccccc5c4)nn3)CC2)cc1 13863638 PAVDHAPDTRSOSP-UHFFFAOYSA-N 422.576 6.011 0 1 HKAF CCC[C@@H]1CCCCN1c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12 26182311 ZRWITNUYAJGLRV-QGZVFWFLSA-N 417.384 6.479 0 1 HKAF CC(=O)Oc1ccc(C(=C(c2ccccc2)C(C)C)c2ccc(OC(C)=O)cc2)cc1 29242849 XWCPUAURVDVWJJ-UHFFFAOYSA-N 414.501 6.152 0 1 HKAF CCc1ccc([C@H]2C=CCN[C@H](c3ccccc3)C(=O)N2Cc2ccc(C)cc2)cc1 36388433 XYEJQXMGABTASH-KAYWLYCHSA-N 410.561 5.528 0 1 HKAF COC(=O)[C@H]1CC=C(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C[C@H]1C(=O)OC 40457105 MRKGZZRVSSGZIK-CJTFWIGWSA-N 422.650 6.724 0 1 HKAF CCN1CN(CC)[C@H](c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(Cl)cc1Cl 40609041 OCPPLUHBDZDJSE-KDURUIRLSA-N 418.195 6.698 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)c(S[C@H](C)C(=O)O)cc1O 45298671 YZEHAXFXYPNXOJ-WUECALEHSA-N 418.599 6.004 0 1 HKAF S=c1c2c3c(sc2nc2n(-c4ccccc4)nc(-c4ccccc4)n12)CCCC3 64564371 YPYTYEBXIKCLLC-UHFFFAOYSA-N 414.559 6.010 0 1 HKAF CCCCCCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4 72118089 VNMJBLYAJWIWQA-IBGZPJMESA-N 409.526 5.135 0 1 HKAF CC(C)c1nc(SCc2ccc(-c3ccccc3C(=O)O)cc2)c2ccccc2n1 95601373 JUUWERAMXBBZSS-UHFFFAOYSA-N 414.530 6.411 0 1 HKAF Cc1ccccc1-c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2ccc(Cl)cc2)cc1 100108584 BFVIYEWYACRVHH-BKFWDETESA-N 417.940 5.287 0 1 HKAF c1ccc(CCCCN2[C@@H]3CC[C@@H]2c2c(n(Cc4ccccc4)c4ccccc24)C3)cc1 100753542 FIRXDZAUSDKQNJ-LEAFIULHSA-N 420.600 6.774 0 1 HKAF CCN(CC)CC(=O)N1C[C@H](c2ccccc2)Oc2c(C)c(C)c(Cl)c(C)c21 101609192 YVTMJRAJVZJHPK-LJQANCHMSA-N 400.950 5.074 0 1 HKAF Cc1ccc(-c2c([C@@H](CC(C)(C)C)C(=O)O)c(C)nc3sc4c(c23)CCCC4)cc1 113124387 UCCFFUAJUGIOTH-LJQANCHMSA-N 421.606 7.063 0 1 HKAF CC/C(=C(/c1ccc(/C=C/C(=O)O)c(C)c1)c1ccc2[nH]ncc2c1)c1ccccc1 114546609 GPQSZOTUHGICPT-RBBFJMDNSA-N 408.501 6.338 0 1 HKAF Cc1nc(C)c(CNc2cc([C@H](C)C[C@@H]3C[C@H]3c3ccccn3)nc3ccnn23)s1 114812890 OMKOLDKFPQMPHA-ZTFGCOKTSA-N 418.570 5.107 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118924020 ATSOHKZZFSOWDR-HHPVNZBLSA-N 416.734 7.961 0 1 HKAF Cc1ccccc1-c1csc2ncnc(N3[C@H]4CC[C@H]3CC(NC3CCC3)C4)c12 146507550 VYZWMNGLPNYSSB-OALUTQOASA-N 404.583 5.309 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(Cl)cc2)cc1)C3 195083930 VPTOTYACZAFVTR-UZWCGKASSA-N 421.968 5.684 0 1 HKAF C[C@H]1[C@H]2[C@@H](C[C@H]3[C@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 255212541 GMBQZIIUCVWOCD-CVJOOEIESA-N 416.646 5.794 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 255255773 OQMZNAMGEHIHNN-BBVXDXAVSA-N 410.686 7.721 0 1 HKAF O=c1c(Cc2coc3cccc(OCC4CCCCC4)c3c2=O)coc2ccccc12 299841108 XYKHYVBHNZWPBY-UHFFFAOYSA-N 416.473 5.449 0 1 HKAF Cc1cc(OCc2ccc(F)cc2F)cc(=O)n1Cc1ccc(-c2ccccc2)cc1 473121838 HHPOJXZJLHRKKU-UHFFFAOYSA-N 417.455 5.729 0 1 HKAF CC(C)(C)c1ccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2c1 586921128 CTHSOCGCSUGQJO-UHFFFAOYSA-N 404.535 5.501 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cnn(-c2ccccc2)c1CC3 586987666 PXMVRTFETVTHIK-UHFFFAOYSA-N 415.452 5.103 0 1 HKAF CC(C)(Oc1ccc(Br)cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 586997406 WRCHOXPSIMVHFZ-UHFFFAOYSA-N 400.103 5.946 0 1 HKAF c1ccc(COc2cccc3nc(-c4ccccc4OCc4cscn4)[nH]c23)cc1 587029309 NTQYFWUXAACOPM-UHFFFAOYSA-N 413.502 5.844 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(C[C@@H]3OCCc4ccsc43)nc2c1 587036718 KMBCXLLXFJTYOA-LBPRGKRZSA-N 406.351 5.519 0 1 HKAF Cc1c(Br)cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1C 587052250 YSTVJHLOUCICIW-WDEREUQCSA-N 410.142 6.520 0 1 HKAF Cc1ccc2c(ccc3[nH]c(-c4ccc(COc5cccc(Cl)c5Cl)o4)nc32)n1 587056235 KWTCJXXRNXNDBP-UHFFFAOYSA-N 424.287 6.565 0 1 HKAF Clc1ccccc1-c1ccc(Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 587063033 LKHIHAPXNKBWQZ-UHFFFAOYSA-N 424.931 7.053 0 1 HKAF Cc1cc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Cl 587072289 QLMJVRNGEIEQJV-MPFKFLGESA-N 405.756 7.198 0 1 HKAF O=C1c2ccccc2-c2cc(-c3c(F)cccc3N3CCOCC3)nc3cccc1c23 587103566 KDUDPAIAGJCYOH-UHFFFAOYSA-N 410.448 5.089 0 1 HKAF FC(F)(F)c1ccc(Oc2ccc(-c3nc4c(ccc5ncccc54)[nH]3)cc2)cc1 587112492 NHHUOUWJVDVMNL-UHFFFAOYSA-N 405.379 6.589 0 1 HKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587114437 UIBRYKFDBPEUKF-SECBINFHSA-N 422.756 6.480 0 1 HKAF Fc1c(F)c(F)c(/C=C/c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(F)c1F 587133925 FERNLFJTSSSYAM-VQHVLOKHSA-N 402.322 6.221 0 1 HKAF COc1ccc(C(=O)c2ccccc2-c2nc3ccc(OC(C)C)cc3[nH]2)cc1F 587145304 WGOFQWQBRFAXOS-UHFFFAOYSA-N 404.441 5.396 0 1 HKAF CCCCCOc1cc2nc(/C=C\c3ccc(F)cc3F)[nH]c2cc1Br 587149197 NEPMTWHZVJSDKZ-VURMDHGXSA-N 421.285 6.343 0 1 HKAF CCCCOc1cc2nc(CCc3ccc(C)c(N)c3)[nH]c2cc1Br 587250935 SSLPVGBUIZEGJE-UHFFFAOYSA-N 402.336 5.180 0 1 HKAF CC(C)Oc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345012 DLHJKELOINRQCL-ILBGXUMGSA-N 406.453 5.593 0 1 HKAF CC1(c2ccccc2)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355854 XCWLEVYFJITNNL-NNTRXQOJSA-N 416.492 6.161 0 1 HKAF CC(C)[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587356036 YRRQNVJINUCNBF-BBVWWWHTSA-N 402.465 5.929 0 1 HKAF CC(C)(C)c1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357865 WASBINJHZUBKRK-OZXSUGGESA-N 404.481 6.103 0 1 HKAF COc1cccc(-c2cc(CC(=O)N3CCCCCC3)nc3c2oc2ccccc23)c1 587362101 BOWMKUYGTSYITP-UHFFFAOYSA-N 414.505 5.602 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCc3cccc4ccccc34)cc1)O2 587400618 RPRMRRPPUYNZJY-NDEPHWFRSA-N 423.512 6.190 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)([C@H](O)c1ccccc1)CC2=O 587463567 VTGJGLVDGOCVCV-JWQCQUIFSA-N 422.908 5.592 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3cccc(F)c3)cc1)CC2=O 587469432 ZSTFXEBRSSPGFT-AREMUKBSSA-N 420.480 5.943 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)cc1OCc1cccnc1)CC2=O 587488813 KENNNGNWZBCVOH-XMMPIXPASA-N 419.477 5.034 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)C1CCCC1 587543391 BSAYAGUDSZKWRR-RDGATRHJSA-N 420.892 6.093 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(Nc3ccc(Br)cc3)c2c1 587639500 YFAXZKSACPDKBZ-MRXNPFEDSA-N 419.366 7.855 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2cccc(Br)c2)N1 587675940 BQWMCEWWXFYNQD-MEBBXXQBSA-N 413.128 5.169 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CC=C(Br)CC2)N1 587684939 RMMOXPWYYMMBNW-MOCULFSLSA-N 417.160 5.417 0 1 HKAF Cc1cccc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc12 587707145 UGSGZDQOXDKHTP-WLRWDXFRSA-N 419.725 5.722 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)cc2C(F)(F)F)N1 587714631 WFQQYLMULXRXNB-PWJLMRLQSA-N 422.647 5.884 0 1 HKAF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1Cl 587721911 WPXPBEPBXRDDNZ-QPFGOUBPSA-N 402.666 5.013 0 1 HKAF COc1ccccc1-n1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587753156 IDLOUFPEBJAXRL-YEJXKQKISA-N 415.306 5.011 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN([C@@H](C)c3ccccc3)CC2)N1 587770647 SLLWBKFFYSRQRV-HOTGVXAUSA-N 417.366 5.175 0 1 HKAF CCc1ccc(-c2cnc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 587774681 NTXALPSULLKQEW-FKIZINRSSA-N 415.306 5.429 0 1 HKAF Cc1nc2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2cc1Br 587784894 VSTLFCGRSXNDCZ-XFXZXTDPSA-N 420.310 5.778 0 1 HKAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC(C)C)c1 587791444 JRGRILQRHXKVQC-MPBGBICISA-N 408.311 5.008 0 1 HKAF CCCOc1c(C)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587795082 QGJUWSRTFRMFSA-VLIAUNLRSA-N 406.339 5.617 0 1 HKAF CCC[C@H](OC)c1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587798276 ZOJUZEHXPFDVAP-DVXDUOKCSA-N 420.366 5.874 0 1 HKAF CC[C@H](C)c1ccc(OC)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587807322 MUZVRKFTBCWCNC-OSRJUQGESA-N 406.339 5.734 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2(c3ccccc3)CCCC2)N1 587814166 GKZGZBPKZKDEGI-QVKFZJNVSA-N 402.351 5.850 0 1 HKAF Cc1cc(C)cc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 587821218 TZIRKXPIUXPNRE-FYSMJZIKSA-N 424.357 6.496 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccsc2Br)N1 587841378 ATZNMORKDUCWQU-WPPNPWJKSA-N 405.130 5.036 0 1 HKAF COc1ccc2c(c1OC)[C@H](c1ccccc1Oc1ccccc1C=O)N(C)[C@@H](C)C2 962560628 CYLBJJBBVVXIIG-GKVSMKOHSA-N 417.505 5.274 0 1 HKAF CCc1ccc2nc(Cl)c([C@H]3c4cc(OC)c(OC)cc4C[C@H](C)N3C)cc2c1 962619814 GOWOFZLJVSUVPT-LFVRLGFBSA-N 410.945 5.434 0 1 HKAF FC(F)(F)[C@@H]1CCC[C@@]2(C1)c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962635398 NGTDPLBWQYAFRB-UNWVZKJWSA-N 400.488 5.381 0 1 HKAF CCOc1ccc(OC[C@]2(C3CCCC3)N[C@H](CC)Cc3c2[nH]c2ccccc32)cc1 962945676 JOYVGDYDJWHNQS-NFQMXDRXSA-N 418.581 5.955 0 1 HKAF Fc1cccc2c1[C@](c1ccccc1CN1CCSCC1)(C1CC1)N1CCC[C@H]1C2 963102479 MWJQAOVDQDDQJH-BKMJKUGQSA-N 422.613 5.049 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CC12CC3CC(CC(C3)C1)C2)c1ccccc1 963236260 XWBQAJMAIBVLNC-WFDJPPNPSA-N 413.649 7.193 0 1 HKAF COc1cc2c(cc1OC)CN(CCCCc1nc3cc(Cl)ccc3s1)CC2 1772607600 WVVWVIWPPSCORG-UHFFFAOYSA-N 416.974 5.348 0 1 HKAF C=CC(=O)Nc1cccc(-c2ccc(NC(=O)Nc3cccc(C(C)C)c3)cc2)n1 1857631963 DYMJWJDJSBQQRF-UHFFFAOYSA-N 400.482 5.641 0 1 HKAF COc1ccc(C(=O)[C@@H]2C(=O)O[C@@](C)(CCC=C(C)CCC=C(C)C)[C@H]2C)c(O)c1 2356458353 KIPSERMYRVHHGN-FKRCVWNDSA-N 414.542 5.624 0 1 HKAF CCCCCC[C@@H](O)CCCCCCCCCCCCC(=O)CCC1CCCCC1 2356509332 LYEPNIVKRHVMDT-HHHXNRCGSA-N 422.738 8.929 0 1 HKAF CC1=C[C@H](CN(CC2CC2)CC2CC2)[C@@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 2356541037 DTEWDOZBJNXZKU-ISJGIBHGSA-N 419.657 6.390 0 1 HKAF C[C@H](CC(=O)CO)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 2356552203 IPALYVZOVKJMJG-IWPXVRCISA-N 414.630 5.748 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356630986 MHYKVQQPBSKDET-HTWBGESRSA-N 418.706 6.830 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)[C@@H](C)[C@H]1C(=O)C3 2356668806 CALSSZVDBCEOTA-PZVDKMSNSA-N 424.669 7.476 0 1 HKAF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCc1ccco1 2356732766 VPMDEJHHEPSXQO-FUPPJEDESA-N 417.590 5.329 0 1 HKAF O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc2nc(-c3ccccc3)[nH]c2c1 2468076 NAWZHISZJZSWFA-UHFFFAOYSA-N 417.412 5.050 0 1 HKAF FC(F)(F)c1cc(CC[C@H]2OCCN[C@@H]2c2ccccc2)cc(C(F)(F)F)c1 3799750 SRIOHIXTSHGWLJ-QZTJIDSGSA-N 403.366 5.387 0 1 HKAF CN(C)C(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 4211353 VGMQWXSUPWZNOP-FYYLOGMGSA-N 404.897 5.187 0 1 HKAF COc1cc(O)c(C)c(O)c1C(=O)[C@H]1CC=C(CCC=C(C)C)C[C@H]1c1ccccc1 13410479 DJCRMQTYRMUEBG-VXKWHMMOSA-N 420.549 6.464 0 1 HKAF biogenic COc1cc(O)c(C(=O)[C@H]2CC=C(CCC=C(C)C)C[C@H]2c2ccccc2)c(O)c1 13410515 VJYZXZFPGQYBKT-VXKWHMMOSA-N 406.522 6.156 0 1 HKAF biogenic O=C(O)c1ccc(C=C2CCN(C(=O)C(C3CCCCC3)C3CCCCC3)CC2)cc1 13475206 MRVHLQRNOZXZBG-UHFFFAOYSA-N 423.597 6.167 0 1 HKAF Cc1ccc(F)c([C@H]2[C@H]3C=CC[C@@H](c4ccccc4)[C@@H]3C(=O)N2Cc2ccccc2)c1 13661908 JKQUHEGFTUFCCP-PHIRODEFSA-N 411.520 6.194 0 1 HKAF CC1(C)CCc2c(c3c(c4c(=O)c(O)c(-c5ccc(O)cc5)oc24)OC(C)(C)CC3)O1 15216506 VBVBDUDAYZYKEQ-UHFFFAOYSA-N 422.477 5.078 0 1 HKAF biogenic COc1ccc(-c2cc(=O)n(C/C=C/c3ccccc3)nc2-c2ccc(OC)cc2)cc1 26403856 BWSRHEZTRRQJFY-RMKNXTFCSA-N 424.500 5.308 0 1 HKAF C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)Cc1ccccc1 28359212 SRRJVOMFCQWCTJ-ARMFNRFLSA-N 402.513 5.361 0 1 HKAF Cc1cc(C(=O)Nc2ccc3nc(NC(=O)C4CCCCC4)sc3c2)c(C)n1C 28461367 HPIFIHBSXCQMPF-UHFFFAOYSA-N 410.543 5.023 0 1 HKAF CN1CCc2ccc([C@@H]3C[C@@H]3c3ccc4cc(C(=N)N)ccc4c3)cc2[C@H]1C(C)(C)C 34717865 MYVWVEULEWPQGP-USZFVNFHSA-N 411.593 5.970 0 1 HKAF C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 40393651 QCINLPGAWNIEIM-IFXJQAMLSA-N 420.340 5.209 0 1 HKAF Cc1cc(-c2nscc2C)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 43079843 ZTVIQFFINYCDOR-UHFFFAOYSA-N 416.333 6.256 0 1 HKAF CCCCc1ccc(-c2ccc(-c3c(C)[nH]c(C)c(Br)c3=O)cn2)cc1 45193242 ZFFWYKFHSDOWRG-UHFFFAOYSA-N 411.343 5.826 0 1 HKAF Cc1ccc([C@@H](O)CNc2ccnc(Nc3cccc(-c4csc(C)n4)c3)n2)cc1 45323350 PBCVVRYQEOBKET-NRFANRHFSA-N 417.538 5.106 0 1 HKAF CN(C(=O)c1cccc(Cl)c1)[C@H]1CCC[C@@H](N(C)C(=O)c2cccc(Cl)c2)C1 95586332 DTNXLEODOOJWRE-BGYRXZFFSA-N 419.352 5.149 0 1 HKAF Cc1cc(N2CC[C@H](CN3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccc2[nH]ccc2c1 96922470 XABYXUIYVFWUMX-VQTJNVASSA-N 416.569 5.039 0 1 HKAF C1=C(c2ccc3ccccc3c2)C[C@H]2CC[C@H]1N2CCCOc1cccc2[nH]ccc12 101019793 ZWGCNJQKTLJLKQ-JWQCQUIFSA-N 408.545 6.410 0 1 HKAF CCOc1ccc(-c2ccc(-c3nc(-c4c(F)cccc4Cl)nn3C)s2)cc1 103203452 ARHILNAZTCMQCR-UHFFFAOYSA-N 413.905 6.069 0 1 HKAF CCC[C@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1OC)CCCC3 113125445 ZHIWDLNGUFACHB-SFHVURJKSA-N 423.578 6.436 0 1 HKAF CC[C@H](Nc1ccc(C)c([C@@H](C)N2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 118395080 HNPHZIORYCGVDZ-ZHRRBRCNSA-N 400.950 5.597 0 1 HKAF CC(C)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 139051688 CEEWEUZUOUXMSR-NRFANRHFSA-N 424.566 5.767 0 1 HKAF COc1cccc2nc(Nc3ccc(Oc4ncccc4C4CCOCC4)cc3)[nH]c12 142687643 UUGNPCRGOSHPOJ-UHFFFAOYSA-N 416.481 5.396 0 1 HKAF N#CN1[C@@H](c2ccc(Cl)cc2)CC(=O)[C@@H](c2ccccc2)[C@@H]1c1ccc(Cl)cc1 169290261 GTFNZNFOQZIXSK-JRFVFWCSSA-N 421.327 6.315 0 1 HKAF CCCCC(=O)OCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 223584306 JMDDPPFHZMIMII-RTBURBONSA-N 400.559 6.014 0 1 HKAF C[C@H]1[C@@H]2[C@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 255197582 BADUKLRFTFBRSD-DKJKAWAWSA-N 415.662 5.760 0 1 HKAF O=C(Nc1ccc(Cl)cc1)Nc1cc([C@H]2CC2(F)F)nn1Cc1ccccc1 299818898 AQZITIDJRSGDHD-MRXNPFEDSA-N 402.832 5.351 0 1 HKAF CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCCO)[C@@H]2[C@@H]1O 299831342 DQBAHTQWQZRMFH-JDCMAIOWSA-N 406.651 5.022 0 1 HKAF c1ccc(C2=NN[C@@H](c3ccc(OCc4csc(-c5ccccc5)n4)cc3)C2)cc1 299852521 UAZQDZOSPDBIGV-XMMPIXPASA-N 411.530 5.828 0 1 HKAF O=C1CCC[C@@H](c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)CC1 586885234 ZDUHINYDQHSFOQ-CYBMUJFWSA-N 415.415 5.451 0 1 HKAF OCc1ccccc1-c1cccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 586895204 UNYIZSIIBUZFJE-UHFFFAOYSA-N 408.526 6.540 0 1 HKAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)cc1 586950397 GCBVVDSJVHGLMT-UHFFFAOYSA-N 423.563 5.531 0 1 HKAF Cc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1Br 586994139 WELKATPCFUUOPY-UHFFFAOYSA-N 414.302 6.493 0 1 HKAF O=C(c1ccccc1)c1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587051358 SDLWPTWOONYZJG-HOTGVXAUSA-N 407.300 6.372 0 1 HKAF O=S(=O)(c1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c1)C(F)(F)F 587054268 NPESKSAVHDRASQ-QPJJXVBHSA-N 421.227 5.334 0 1 HKAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(Cl)cnc2[nH]1 587121785 LBXLUYLVWVTUMK-UHFFFAOYSA-N 410.808 5.609 0 1 HKAF N[C@]1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)C[C@@H]1c1ccccc1F 587154470 PRCPSRPQORWEQS-IQMFZBJNSA-N 400.482 5.320 0 1 HKAF CCOC(=O)Cc1ccc2nc(-c3cc(F)cc(-c4cccc(OC)c4)c3)[nH]c2c1 587160053 DONIJVHCWQHUNL-UHFFFAOYSA-N 404.441 5.150 0 1 HKAF COc1cccc(-c2cc(F)cc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c2)c1 587160269 ONGUDCSOUPIOFL-UHFFFAOYSA-N 424.475 6.624 0 1 HKAF O=NCc1ccc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)cc1 587190296 MLVVRLGIOMSNFP-UHFFFAOYSA-N 400.154 5.157 0 1 HKAF CC[C@]1(c2ccc(C(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352879 KDSRVKPILJLQPR-AOYPEHQESA-N 404.481 6.319 0 1 HKAF COc1cccc(-c2cc(-c3ccc(Cl)c(F)c3)nc3c2oc2ccccc23)c1 587359567 FLUYNPOSQAGLBB-UHFFFAOYSA-N 403.840 7.116 0 1 HKAF COc1cccc(-c2cc([C@@H](C(C)=O)c3ccccc3)nc3c2oc2ccccc23)c1 587366139 SIXGMMCIDWHFGA-VWLOTQADSA-N 407.469 6.378 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]3Cc2ccccc2)c1 587367418 PRQCFKQMAUXKEC-HXUWFJFHSA-N 405.497 6.929 0 1 HKAF CC[C@H](C)COc1cc(Br)ccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587378947 XFDLBMWXXCGHDZ-FKIZINRSSA-N 418.331 5.471 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccc(C(F)(F)F)cc3)s1)O2 587380801 AUQHFMPPTRVZFO-MRXNPFEDSA-N 404.413 5.426 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc3cc(Br)ccc3o1)CC2=O 587458539 KWOFUYFLBLADGO-NRFANRHFSA-N 415.283 5.734 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1sc(Cc3ccccc3)nc1C)CC2=O 587494733 NQNAYNQCASPDDP-DEOSSOPVSA-N 407.535 5.581 0 1 HKAF Cc1c(Br)ccc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c12 587505602 VBYUPTHNXFAHAT-FQEVSTJZSA-N 410.311 5.824 0 1 HKAF O=C1C[C@@H](c2cn(-c3cccc(Cl)c3Cl)nn2)Oc2c1ccc1c2CCCC1 587509743 WWVFAHWQKBYKMY-IBGZPJMESA-N 414.292 5.159 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2cccc(F)c2)n1 587572997 UIPBAZCVXLZNCX-KNQAVFIVSA-N 419.433 5.358 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc(F)cc1 587574055 YKUVMRUWYPITGF-XUZZJYLKSA-N 401.393 5.025 0 1 HKAF Cn1c2ccccc2c2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587575597 GBRJFRCVMRODNJ-SQHAQQRYSA-N 421.452 5.740 0 1 HKAF C[C@@]1(c2cc3c(ccc4ccccc43)o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619799 ZIGQDRDQCNNVOZ-SQHAQQRYSA-N 422.436 6.169 0 1 HKAF Cc1nc2c(Cl)cccc2c(Cl)c1Cc1c(C)[nH]c2cc(Cl)c(F)cc12 587628018 GJOSPLGLIRAFFQ-UHFFFAOYSA-N 407.703 7.023 0 1 HKAF CC1(C)COC(CCc2c(-c3ccccc3F)[nH]c3cc(Cl)c(F)cc23)OC1 587629193 FRHGOXHMVGYOGL-UHFFFAOYSA-N 405.872 6.098 0 1 HKAF CCOC(=O)C(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]c2ccc([C@H](C)CC)cc12 587643169 ZJIKFNPJEPGBFH-GFCCVEGCSA-N 418.320 6.401 0 1 HKAF CCOc1ccc(-c2nn(-c3ccc(C)c(F)c3)c(=O)c3ccccc23)cc1OCC 587670783 IASSOHZQHIIWBP-UHFFFAOYSA-N 418.468 5.298 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3ccc(Cl)cc23)N1 587699441 QFGKFTPHSFGXGH-APBUJDDRSA-N 407.714 5.521 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(C(F)(F)Cl)N1 587708078 XSOONQQBFHQCPL-GTNSWQLSSA-N 418.684 5.392 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(C)(C)C)[nH]c3ccccc23)N1 587790129 HPIHDOOBPAXEPA-ODXCJYRJSA-N 415.350 5.991 0 1 HKAF Cc1ccc(-c2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 587816080 TYAAOHUFJAZBSM-GYCJOSAFSA-N 424.357 6.361 0 1 HKAF Cc1ccc([C@@]2(C3CCCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587818821 KDAQKBHVKNIQRD-IVZQSRNASA-N 402.351 5.865 0 1 HKAF Cc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 587820966 RQQCZBGRIAGHHV-NPMXOYFQSA-N 410.330 6.187 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2oc2ccccc23)N1 587834726 SCTCCDRKYLSUPR-XUSGNXJCSA-N 410.286 6.111 0 1 HKAF CCCOc1ccc(C(=O)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)cc1 587858676 LOSVSNRITGYTMZ-UHFFFAOYSA-N 419.308 5.733 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1c(F)cccc1Cl 587865329 UWHYEEKQQKCSRY-UHFFFAOYSA-N 412.770 5.449 0 1 HKAF Cc1ccc(-c2cc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)c3ccccc3n2)cc1 587873799 NCCXZEUUWRYGSO-UHFFFAOYSA-N 421.431 6.007 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cnncc2[nH]1 587958179 BHRPUWJQYGBNDT-XSCOUVMYSA-N 404.602 7.207 0 1 HKAF O=C(Nc1ccccc1)Nc1ccc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c1 653795661 PLAJFZDDYRXPKS-UHFFFAOYSA-N 423.398 6.036 0 1 HKAF Cn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(-c4ccccc4)ccc3ncc21 653851618 FHOGQCBNFBHHDE-UHFFFAOYSA-N 419.406 5.563 0 1 HKAF CC(C)(C)[C@@]1(c2cccs2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962646045 SLZWPXXHXNLRGX-GJZUVCINSA-N 402.607 5.785 0 1 HKAF COc1ccc2c(c1OC)[C@@]1(CC[C@H]1C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962682035 UJDMCOARKMGAPQ-PEBXRYMYSA-N 419.443 5.046 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C[C@H](C)CC(=O)O)(c2ccc(C)c(OC)c2)N1 962953152 KOWRGTHYVQRHLL-HDNWHIHDSA-N 420.553 5.154 0 1 HKAF Cc1sc2c(c1C)CCN[C@]2(CC(F)(F)F)c1ccc(Br)cc1 963019394 GWGGZUUGIQQDPB-MRXNPFEDSA-N 404.295 5.469 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]2(CCc1ccc(Cl)cc1)c1ccccc1 963100653 CGZVLUFZCWRTHV-AZGAKELHSA-N 405.944 6.376 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1ccc(NC2=N[C@@H](CC)CS2)cc1 963241736 NTQCEHDJXFAHJY-QLWBXOBMSA-N 407.627 5.900 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 963244962 YSFIEFOPHCNXFX-SMNFYRJBSA-N 413.649 6.998 0 1 HKAF COc1cccc([C@]2(c3ccsc3)c3cccc(Br)c3CCN2C)c1 963280807 PIFNDEUOXSDYKY-NRFANRHFSA-N 414.368 5.299 0 1 HKAF O=C(Cc1cc(Cl)cc(Cl)c1)N1CCC[C@H](c2nc3cccc(Cl)c3[nH]2)C1 1772570107 REVIQQAYPUCGSM-ZDUSSCGKSA-N 422.743 5.472 0 1 HKAF CC(C)c1ccc(CSc2nc(O)nc(SCc3ccc(Cl)cc3)n2)cc1 1857546704 IFDARRAYWBAHJI-UHFFFAOYSA-N 417.987 5.939 0 1 HKAF Cc1ccc(N(C)C(=O)c2ccc3c(c2)C[C@H](c2ccc(Cl)cc2)OC3=O)cc1C 1857555394 QTTOGZFWZPWGER-HSZRJFAPSA-N 419.908 5.688 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(sc3ncnc(Nc4ccc(F)cc4F)c23)C1 1857604240 CPKVWABPQNYDQL-UHFFFAOYSA-N 418.469 5.006 0 1 HKAF C[C@@H](CCC(=O)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@]35CC[C@]12C 2356532034 PKCLZUICYHOWNR-OUMNFULBSA-N 414.630 6.496 0 1 HKAF CO[C@@H]1C[C@]2(C)[C@H](CC[C@@H]2[C@H](C)C=C[C@H](C)C(C)C)c2cc3c(c(C)c21)C[C@@H](O)CC3 2356602926 QATMLMHKOKQDMW-DOWYCUIMSA-N 424.669 6.920 0 1 HKAF Cc1cc(=O)c2c(o1)O[C@]1(C)CC[C@H]3[C@]4(C)CC[C@@H](O)C(C)(C)[C@H]4CC[C@]3(C)[C@@H]1C2 2356717364 PSHUZQHBLAPAMD-NZHHMDKPSA-N 414.586 5.272 0 1 HKAF CC=C(C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356732340 NVIFTYDKFNGPHT-PHAOXHQDSA-N 410.686 7.721 0 1 HKAF CCCCC[C@H](O)C[C@H](CCc1ccc(O)c2c1CC[C@H]1CCC[C@@H]1O2)OC(C)=O 2356772869 KZNRSMJFGRHLFU-XBJMDHIQSA-N 418.574 5.082 0 1 HKAF CC(C)CC(O)(CC(C)C)c1cn(C(=O)N(c2ccccc2)c2ccccc2)nn1 198393531 MCPPKRZJCSECPI-UHFFFAOYSA-N 406.530 5.364 0 3 HKAF C[C@H](COc1ccccc1)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 198904728 JRTVCNLTPDVGMR-QHCPKHFHSA-N 415.577 5.350 0 3 HKAF CC(=O)Nc1ccc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2c1 1492043 CBPPRVIVJIRBCI-UHFFFAOYSA-N 421.806 6.114 0 1 HKAF COc1ccc(Nc2cc(C(=O)N[C@@H]3CCCC[C@H]3C)c3ccccc3n2)cc1OC 4909603 HBENYDZJTHQUQX-OXQOHEQNSA-N 419.525 5.304 0 1 HKAF CCc1cc(Nc2nc3ccc(C(=O)Nc4c(C)cccc4Cl)cc3s2)ncn1 13536626 LSCJIGJGJVAHCS-UHFFFAOYSA-N 423.929 5.606 0 1 HKAF C[C@H]1CCC[C@@H](C)N1CCCCCN1C(=O)[C@H](c2ccccc2)Oc2ccccc21 13834483 BWAAOARPNKBGHD-BKSPAHHJSA-N 406.570 5.587 0 1 HKAF CCC[C@]1(CCc2ccccc2)CC(=O)[C@@H]([C@@H](c2ccccc2)C2CCCC2)C(=O)O1 18175834 RBPIPBZFKMTZPW-NSVAZKTRSA-N 418.577 6.264 0 1 HKAF CCCCN[C@@H](C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C 26818042 XEIYOWXTZAUMKM-QMTWWALDSA-N 403.695 6.421 0 1 HKAF Cc1ccc(C[C@@H]2N=C(c3ccc(O)cc3)c3cc(Cl)ccc3N(C)C2=O)cc1C 26997447 BKHONXJYNYXGQT-QFIPXVFZSA-N 418.924 5.088 0 1 HKAF CC(C)c1nn(-c2ccccc2)c(-c2ccc(F)cc2)c1CC[C@H]1CC(=O)CC(=O)O1 27216888 FLLTWRLSCMMDTF-NRFANRHFSA-N 420.484 5.009 0 1 HKAF Fc1ccc(-c2[nH]c(SCc3cccc4ccccc34)nc2-c2ccncc2)cc1 27524351 NRDBPDWNLDCMNL-UHFFFAOYSA-N 411.505 6.723 0 1 HKAF O=C1Nc2ccccc2[C@H](c2ccccc2)N1C1CCN(Cc2ccsc2)CC1 28568059 DAQQFJJGQDFBKG-QHCPKHFHSA-N 403.551 5.350 0 1 HKAF O=C(NCc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[C@H]1[C@@H](O)CCc1ccccc1 28571287 BEQXUUNABIRINN-NJYVYQBISA-N 406.353 5.020 0 1 HKAF O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1-c1ccccc1 28571451 WNCUUWPRYUNKAY-UHFFFAOYSA-N 423.356 6.321 0 1 HKAF Cc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccccn3)n2)cc1 28707529 JKGIVAZVPYQJOQ-FQEVSTJZSA-N 402.548 5.931 0 1 HKAF CC(C)CCOc1ccc(NC(=S)Nc2ccc(Cc3ccccc3)cc2)cc1 35001299 BFLOZJAMOWBYPU-UHFFFAOYSA-N 404.579 6.511 0 1 HKAF CC(=O)Nc1c(Cc2ccc(Cl)cc2)nc2c3c(ccc2c1C(=O)O)CCCC3 35087091 NSFYLQFIZORLOH-UHFFFAOYSA-N 408.885 5.014 0 1 HKAF c1ccc(C(O[C@H]2CCN(c3ccccc3)[C@H](c3ccccc3)C2)c2ccccc2)cc1 40424055 ILDWELVCCUZQLD-VMPREFPWSA-N 419.568 7.203 0 1 HKAF CC(C)N1C[C@H](C(=O)OC2CCCCC2)C[C@@H]2c3cccc4c3c(cn4C(C)C)C[C@H]21 40496770 FOLARUZJASFCGU-QFZRFWILSA-N 422.613 5.837 0 1 HKAF CCOc1ccc(Cc2nc3cc(C(=O)N4CCCCC4)ccc3n2CC2CC2)cc1 40835047 PMJHXDFPKIOWGP-UHFFFAOYSA-N 417.553 5.062 0 1 HKAF Cc1ccc(NC(=O)c2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)nc2N)cc1 64549741 GEEVDVSTQSPNOF-UHFFFAOYSA-N 413.908 6.212 0 1 HKAF O=C(Nc1cccnc1)N1CCC[C@@H](Cc2cccc(Oc3ccc(F)cc3)c2)C1 68207552 ABYPVBAACIVXPR-IBGZPJMESA-N 405.473 5.500 0 1 HKAF C[C@@H](c1ccccc1)N1CCC(N[C@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72101428 PSQZBUSVRQAYIV-AVRWGWEMSA-N 423.963 5.779 0 1 HKAF COc1ccc(/C=C/c2ccc(-c3ccc(I)s3)s2)cc1 72174934 JFOGFWZMBRHBDE-QPJJXVBHSA-N 424.328 6.260 0 1 HKAF COc1ccc(Oc2cncc(NC[C@@]3(C)C[C@@H](O)CC(C)(C)C3)n2)c2ccccc12 82068890 WAZNSSOJHBBVKK-GKVSMKOHSA-N 421.541 5.420 0 1 HKAF CCCCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc(-c2ccccc2)cc1 82159009 FILVRXCGERADRB-UHFFFAOYSA-N 416.569 5.433 0 1 HKAF CCCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc(F)cc2)n1 82164002 JJHBDQCOJQQEDI-UHFFFAOYSA-N 402.473 6.125 0 1 HKAF O=C(Nc1ccc(F)cc1)N1Cc2ccccc2[C@H]1c1ccc(C(F)(F)F)cc1 84670216 CTHXGJJLGVFRRH-HXUWFJFHSA-N 400.375 5.982 0 1 HKAF Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H]1c3cc4ccccc4nc3SC[C@@H]1CO2 95589110 AULCRSOCZOXQQJ-BTYIYWSLSA-N 419.937 5.629 0 1 HKAF O=C(Nc1ccccc1)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O 96924195 CSQJZRZMNNKABQ-UHFFFAOYSA-N 407.278 6.064 0 1 HKAF O[C@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12 101185027 GZFSOKPLNMYPCE-YPGOJHLTSA-N 401.337 5.489 0 1 HKAF COc1cccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2F)c1 104697058 UFTBPXIHFCFPCY-JOCHJYFZSA-N 406.457 5.281 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@@H](CO)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137552506 SMZGUWPPJLUJON-JVTOGLSNSA-N 416.690 6.463 0 1 HKAF CCCNC(=O)c1sc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2C)O3)nc1C 145467530 OAAABMZYTZSDAL-NRFANRHFSA-N 422.550 5.758 0 1 HKAF O=C(c1ccc(Oc2ncccc2C2CCOCC2)cc1)c1nc2ccc(F)cc2[nH]1 169133504 LDLNYSPLFIODTR-UHFFFAOYSA-N 417.440 5.014 0 1 HKAF CSc1cc(-c2ccccn2)nc(-c2cc(SC)cc(-c3ccccn3)n2)c1 215802405 ZVJQYNZYFRXSSD-UHFFFAOYSA-N 402.548 5.711 0 1 HKAF C/C=C(/C)[C@H](O)[C@@H](C)/C=C(/C)C/C=C\C(C)=C/Cc1nc(OC)c(OC)c(O)c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biogenic Cc1ccc(-c2csc3ncnc(SCc4nc5cc(F)cc(F)c5[nH]4)c23)cc1 587039231 RTYNKMUMYFPFDH-UHFFFAOYSA-N 424.501 6.114 0 1 HKAF Clc1cccc2c(-c3nc4ccc5c(c4[nH]3)CCCC5)cc(-c3ccccc3)nc12 587082251 KQTIAZQGSCZCFL-UHFFFAOYSA-N 409.920 6.977 0 1 HKAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3ccc(Br)nc3[nH]2)c1 587094002 YFXNAWCUHMQICN-UHFFFAOYSA-N 410.115 5.425 0 1 HKAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(F)cc4[nH]3)nc2n1 587115183 HIUYDXUYKUFGFG-UHFFFAOYSA-N 409.412 5.168 0 1 HKAF N[C@@H](N=O)c1ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 587157542 AGXBCPHZSQRAOY-UXHICEINSA-N 410.836 5.248 0 1 HKAF CC(C)CCOc1cc2nc(-c3coc4cc(F)ccc34)[nH]c2cc1Br 587173868 BUPRGCFRKHCBNP-UHFFFAOYSA-N 417.278 6.303 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c(-c3coc4cc(F)ccc34)nc2c1 587175957 YPRNJUICFLWVBF-UHFFFAOYSA-N 403.207 5.054 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(F)cc(Br)c2[nH]1 587235045 CZLQATSHYMKVMN-DGCLKSJQSA-N 412.303 5.015 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2([C@H]3C[C@H]4C[C@@H]2C[C@@](Cl)(C4)C3)[C@@H]1c1ccc(F)cc1 587328816 VXFNINHHWFPBPC-QDHVAOEBSA-N 412.888 5.447 0 1 HKAF CC(C)(C)[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340771 ZDFXSWKSMGKVGS-WIOPSUGQSA-N 408.444 5.971 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)CC2=O 587462728 RRSJLXPHNSDZLN-KRWDZBQOSA-N 418.333 6.089 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)ccc1NC(=O)OC(C)(C)C)CC2=O 587466111 ISMKKHWVJLUNDO-FQEVSTJZSA-N 415.461 5.537 0 1 HKAF C[C@]1(c2ccc(Cl)c(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587503472 OGYGRYBASCWSTI-HXUWFJFHSA-N 405.719 5.862 0 1 HKAF Cc1ccc(-c2nc3ccccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587516656 ZCRBOWZXDWADOJ-QHCPKHFHSA-N 408.501 5.895 0 1 HKAF Cc1noc(C)c1COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522910 FJCFSOMMPJGYLH-DEOSSOPVSA-N 403.478 5.456 0 1 HKAF Cc1cccc(C(=O)Oc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)c1 587524009 MRVXNVYCXLHKJG-VWLOTQADSA-N 412.485 5.800 0 1 HKAF Cc1ccc([C@]2(CC(C)(C)CC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587529146 JQAFUUBEMDPFJA-AREMUKBSSA-N 406.522 5.626 0 1 HKAF O=C(O)C[C@@H]1CCC[C@H](c2ccccc2)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587529167 JYFKPJGBQMUJQV-WSNOQYBDSA-N 404.506 5.328 0 1 HKAF CC(C)[C@]1(c2cccc(Cl)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570771 YGQHTLYMMDNRKE-AUSIDOKSSA-N 412.844 5.698 0 1 HKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N1CCCC1 587594603 NEDQHEHVOMDLCW-RDGATRHJSA-N 401.462 5.004 0 1 HKAF Cc1ccc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587600376 BFNWDVFTFWJLPS-RPLLCQBOSA-N 408.453 6.071 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccccc2)cs1 587614325 RVPNGAZVVYDYCF-ZJSXRUAMSA-N 400.455 5.824 0 1 HKAF COC(=O)c1c(-c2c(-c3ccccc3Cl)noc2C)[nH]c2ccc(F)c(Cl)c12 587628550 NSLCINBMXQTESY-UHFFFAOYSA-N 419.239 6.031 0 1 HKAF O=C(O)c1cccc2c(Nc3ccc(Br)cc3)c(-c3ccccc3)[nH]c12 587638837 RDGXOZFGNSGLHL-UHFFFAOYSA-N 407.267 6.039 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3ccnc3)cc2Cl)N1 587694863 MNIGLSSHBNPTTK-WYRIXSBYSA-N 420.713 5.051 0 1 HKAF Cc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC(F)F 587714047 FTDDICWVRMDRRX-QFYYESIMSA-N 400.238 5.122 0 1 HKAF Cc1ccc(Cl)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1F 587714880 GGJNBTNEYIFWIV-MLCYQJTMSA-N 400.694 5.487 0 1 HKAF COc1ccccc1[C@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587804050 AEEDPTXDLJFWLV-ASSNKEHSSA-N 406.339 5.421 0 1 HKAF COc1ccc([C@@]2(CCC(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587805908 GQDGUCDFBVOJNC-OYHNWAKOSA-N 420.366 5.811 0 1 HKAF C/C=C/[C@]1([C@@H]2C(C)=CCCC2(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587814701 IIGJAQWHUDKTDE-KPMYIFTKSA-N 406.383 6.276 0 1 HKAF Cc1ccc(-c2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587817478 CJKYELMDJOUYBW-WNSKOXEYSA-N 410.330 6.187 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CN3CCCCC3)s2)N1 587848933 QAVBSEPSRRWQDY-ZUOKHONESA-N 423.395 5.259 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3cccs3)c2)N1 587851773 JJHABSRSHNKLGE-YUNKPMOVSA-N 402.332 5.940 0 1 HKAF CC(C)(C)OC(=O)NCc1cccc(-c2nc(-c3cccc(Cl)c3)cs2)c1 587920293 HGYCJOKEYNOHBG-UHFFFAOYSA-N 400.931 6.155 0 1 HKAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 587933449 OQWZDYMJMJQKGG-OAQYLSRUSA-N 421.338 6.131 0 1 HKAF Cc1cc(-n2c(O)cc(-c3ccc(C(C)(C)C)cc3)c2O)nn1Cc1ccccc1F 587944703 HBWWCAKZXJWEJT-UHFFFAOYSA-N 419.500 5.545 0 1 HKAF CCCCOc1ccc(OCCCC)n1CC[C@H](c1ccc(F)cc1)c1ccco1 587945271 LDMLUQSWRNBVPA-JOCHJYFZSA-N 413.533 6.800 0 1 HKAF C[C@@H](C(F)(F)F)[C@]1(c2ccccc2)c2ccsc2CCN1Cc1cccn1C 962396397 GSVNBRNEIHVHSX-IERDGZPVSA-N 404.501 5.587 0 1 HKAF CC(C)(C)[C@]1(c2ccc(Cl)cc2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962985087 AUIBAHYCELTFTB-MGPUTAFESA-N 414.279 5.160 0 1 HKAF CCOC(=O)CC[C@]1(c2cc(F)cc(Cl)c2)c2ccc(F)cc2C[C@H]2CCCN21 963096633 FRQCXYIEYJNMPG-OFNKIYASSA-N 419.899 5.226 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccc(OC)c(Cn2nc(C)cc2C)c1 963224284 DQKJQUOEQOCERH-SIBVEZHUSA-N 403.570 5.303 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCc1cccc(C)c1)c1cc(C)ccc1C 963256853 GBZGBHKXCMCTEM-SETSBSEESA-N 411.633 7.145 0 1 HKAF COc1ccc(CC(=O)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)cc1OC 1857609555 KSHKNYSFVBTJJI-UHFFFAOYSA-N 422.868 5.347 0 1 HKAF O=C1/C(=C\c2ccccc2)S[C@H](c2ccc(-n3ccnc3)cc2)N1Nc1ccccc1 1857761605 DWGXZSVLPKTNRT-LBKCIFGTSA-N 424.529 5.515 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@]1(C)CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 2356412663 XIGODNYMZQPETQ-KEMYGDCUSA-N 410.686 7.721 0 1 HKAF CC(C)=CCC[C@](C)(O)C=CCC(C)=CCC[C@@]1(C)C=Cc2cc(O)cc(C)c2O1 2356450072 HNPKTDKTYUBNFK-SVBPBHIXSA-N 410.598 7.035 0 1 HKAF C[C@H](CCCC(C)(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 2356466748 RABSKEHWTLLVFW-OABWYQSJSA-N 414.718 8.169 0 1 HKAF CCC=Cc1cc(OC)c2c(c1)[C@@H](CC)[C@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)O2 2356678350 BKCYIUQVIIDCLV-DVECYGJZSA-N 424.493 5.596 0 1 HKAF CC(C)=C1CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]21C 2356844355 NTZCFZIEUJGSQA-OOPLWXNRSA-N 424.713 8.377 0 1 HKAF CC(C)CCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(F)cc1Cl 2480313 XCQSFXWOFYMITE-UHFFFAOYSA-N 404.844 5.716 0 1 HKAF CCCCCC[C@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O 3810355 DMVKJAPHGYTUPC-HXUWFJFHSA-N 424.541 5.557 0 1 HKAF CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl 4055519 KXOFWOQTXFTHEZ-MJGOQNOKSA-N 409.288 5.141 0 1 HKAF CCCCC[C@@](O)(C(=O)NCCC(c1ccccc1)c1ccccc1)c1ccccc1 13586439 FZSIKVTUCJXSHD-NDEPHWFRSA-N 415.577 5.793 0 1 HKAF CC(C)=CCn1c2c(ccc1=O)[C@@H](NCCc1ccc(Cl)c(Cl)c1)CCC2 13743294 FSEPICGAYWCPQD-FQEVSTJZSA-N 405.369 5.331 0 1 HKAF COc1cc2cc(C(=O)CCc3cc[n+](Cc4ccccc4)cc3)sc2cc1OC 13818091 BMJHCSGGVPNGEK-UHFFFAOYSA-N 418.538 5.070 0 1 HKAF CCOC(=O)C1=C(c2ccsc2)N=C(C)/C(=C(/O)OCC)[C@H]1/C=C/c1ccccc1 27524800 SUUIJTGGJIFCOD-NIOOJTEBSA-N 423.534 5.633 0 1 HKAF Cc1c(C(C)(C)C)nc2c(-c3ccc(O)cc3)c(-c3ccccc3)nn2c1C(C)(C)C 28462965 JYTYYENNDGADFH-UHFFFAOYSA-N 413.565 6.672 0 1 HKAF COc1cc2occ(-c3ccc(CN(C)Cc4ccccc4)cc3)c(=O)c2cc1OC 28710703 IBPYXVKCOYANPH-UHFFFAOYSA-N 415.489 5.109 0 1 HKAF CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(CF)ccc21 28952233 PQMJAQHDRLGRTN-UHFFFAOYSA-N 408.521 5.298 0 1 HKAF CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCCCC(=O)OC[C@@H](O)CO 29045150 UDZUDFKFJCAENZ-UODKGAQCSA-N 406.607 5.809 0 1 HKAF CCCCc1ccc(/N=c2\cc(-c3ccc4ccccc4c3)[nH]c3ccccc23)cc1 29484154 CVLQZELNPOPTSN-UHFFFAOYSA-N 402.541 7.563 0 1 HKAF CC(=O)OC[C@H](O)COC(=O)C[C@H](C)CCC1=C(C)CC[C@@H]2C(C)(C)CCC[C@@]12C 34467024 BFUQQIDOPSTXTF-MMWWLGBPSA-N 422.606 5.203 0 1 HKAF biogenic O=C(Nc1cccc(-c2ccccc2)c1)[C@@H]1CC(=O)N(C23CC4CC(CC(C4)C2)C3)C1 40575553 JBZUFNCJWCEZEZ-ZCUVORPTSA-N 414.549 5.109 0 1 HKAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NC3CCCC3)nc2-c2cccc(C)c2)C1 82145524 MPTYFMRATZYCFG-RTBURBONSA-N 406.574 5.457 0 1 HKAF Cc1nc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccccc2)sc1C 82163193 RAAZGIIEEOUPKX-UHFFFAOYSA-N 404.514 5.678 0 1 HKAF CN(C)CCCNc1cc(-c2oc3ccccc3c(=O)c2-c2ccc(F)cc2)ccn1 84712772 RTISVVCKZPRLTP-UHFFFAOYSA-N 417.484 5.025 0 1 HKAF O=C(NCc1ccccc1)c1ccc2[nH]c(-c3ccc(Oc4ccccc4)cc3)nc2c1 95592929 MZTHUIKIAQADHQ-UHFFFAOYSA-N 419.484 5.952 0 1 HKAF O=C(N[C@H]1CCC[C@@H]1c1ccccc1)C1CCN(c2nc3cc(Cl)ccc3o2)CC1 95598313 VDADWYKVUHMQAE-UXHICEINSA-N 423.944 5.150 0 1 HKAF CCCCCCOC[C@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C#N)C[C@H]1C=C(C(C)C)[C@]32C(=O)O 100824598 RKAMGZGOYLPRMT-JKBTWLATSA-N 413.602 5.833 0 1 HKAF CCOC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@H]1c1ccc(OC)c(OC)c1 103232734 QCZALIHDCFXXIK-QHCPKHFHSA-N 404.462 5.218 0 1 HKAF C[C@H](CCC=C1CC1)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 118933931 JPBYBCDJWOLHTR-PLFSCLRPSA-N 424.713 7.923 0 1 HKAF C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CN2 118937131 XYNPYHXGMWJBLV-NGAVNLKKSA-N 415.662 5.367 0 1 HKAF endogenous,in-man COc1cc(OC)c2c(c1-c1ccc(O)c3c(OC)cc(C)cc13)C[C@@H](C)N[C@@H]2C 137146994 NEXWIAAPMUHYEP-HUUCEWRRSA-N 407.510 5.142 0 1 HKAF CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1nnc(-c2ccccc2)o1 169722347 QNOGFWABIAKDCW-MOPGFXCFSA-N 424.291 5.719 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4Cc5cc6ccccc6nc5[C@@]4(C)CC[C@@H]32)C1 204908923 PIDIUGJXDXHTJY-UAGBHOFDSA-N 415.577 6.143 0 1 HKAF CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2F)c2c(nc3c(c2N)CC(C)(C)CC3)N1 206128054 YZMRPVFFYJXHFO-FQEVSTJZSA-N 423.532 5.101 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C([C@H](O)C[C@@]21C)[C@@]1(C)CC[C@@H](O)CC1=CC3 255262497 RJWIGXOAUROSSK-NIOUUYSFSA-N 412.658 6.446 0 1 HKAF Cc1cc(C)cc(NC(=O)[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@H]32)c1 299832270 FQFFUKCDGQHMHY-BIYCFNCWSA-N 403.610 7.076 0 1 HKAF CCCN(CC[C@H](C)[C@H]1CC=C(C)CC1)Cc1ccc2c(c1)[N+](=O)C(C)(C)N2O 377836302 DAHPGIRIOMZKIM-FPOVZHCZSA-N 400.587 6.027 0 1 HKAF CCCCOc1cc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2cc1Br 586909585 YQWVQKLQQDZEBU-LBPRGKRZSA-N 417.303 5.085 0 1 HKAF CC(C)COc1cc2nc([C@@H](C)Sc3ncccn3)[nH]c2cc1Br 586961842 MGGOBGVPOKVAPR-LLVKDONJSA-N 407.337 5.004 0 1 HKAF CCc1c([C@@H](C)NC(=O)OC(C)(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586988056 XEIYKBBNEAMZFZ-CYBMUJFWSA-N 418.493 5.300 0 1 HKAF Cc1ccc(Br)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 586992371 AMSBUYASRQIWDY-UHFFFAOYSA-N 414.302 6.493 0 1 HKAF c1ccc(Sc2ccc3nc(-c4ccccc4OCc4cscn4)[nH]c3c2)cc1 587029821 VHAQFIDJWNJXCE-UHFFFAOYSA-N 415.543 6.417 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(C(F)(F)F)cc(F)cc4[nH]3)c21 587030507 FXNINRKUIAZAFP-NSHDSACASA-N 419.447 6.680 0 1 HKAF Cc1cnc2nc(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCC4)[nH]c2c1 587031932 WUQCZSSXCNMIMF-UHFFFAOYSA-N 408.914 5.389 0 1 HKAF COc1cc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Cl 587072861 YLTFDLRNVDDXEG-VTMMJTPISA-N 421.755 6.898 0 1 HKAF CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1c1nc3cccc4c3c(c1C2)-c1ccccc1C4=O 587106808 NBDDRDWRGOXUBK-XOBRGWDASA-N 412.489 5.443 0 1 HKAF CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)c1coc2ccccc12 587280749 WXSZYEVTWDTMQQ-LIJGZOPESA-N 404.594 8.761 0 1 HKAF COc1cc(Cl)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587330651 OPEIRIKVYABISU-JTHBVZDNSA-N 412.844 5.468 0 1 HKAF COc1ccc2c(c1)c([C@@H]1CC(=O)c3cc(C)cc(N)c3O1)cn2C(=O)OC(C)(C)C 587392611 ZYRJGHDLFQRFIX-NRFANRHFSA-N 422.481 5.030 0 1 HKAF Cc1ccc(-c2ccc(O[C@H](C)[C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 587401547 SGOQVNUEJRZRSB-WXTAPIANSA-N 401.506 5.744 0 1 HKAF CCCOc1cc(Cl)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC 587419945 FWZAQYDEXKAMNN-QRQCRPRQSA-N 402.874 5.025 0 1 HKAF COc1cc2c3c(c1)O[C@]1(c4ccccc4Oc4ccc(C(F)(F)F)cc41)[C@@H](C2)C3=O 587420222 FCNCQWAKOVIREM-SBUREZEXSA-N 424.374 5.511 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1F)(c1sccc1C)[C@@H](C2)C3=O 587425795 HNVPZKDZMUTVMC-AOMKIAJQSA-N 414.885 5.549 0 1 HKAF COc1cc2c3c(c1)O[C@@]1(CCCc4cc5c(cc41)-c1ccccc1CC5)[C@@H](C2)C3=O 587446829 GLNYIPRYVNLMRU-RBJSKKJNSA-N 408.497 5.440 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)([C@H]1CCOC(C)(C)C1)CC2=O 587476528 CQYINMQRMBQCGI-AFMDSPMNSA-N 408.538 5.497 0 1 HKAF Cc1nc(-c2ccc(F)cc2)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587504460 HHMPVYZEHVVLFD-XMMPIXPASA-N 407.510 6.017 0 1 HKAF O=C1C[C@@H](c2cc(C(F)(F)F)nn2[C@@H]2CCCCO2)Oc2c1ccc1c2CCCC1 587509339 RTIIZAYOZCWXSJ-ICSRJNTNSA-N 420.431 5.186 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(C(F)(F)F)c1F 587542590 AHFQCUKMYSLSLI-UZLBHIALSA-N 404.315 5.253 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cc1OCC1CC1 587570064 ULYCWOULGHQLND-XUZZJYLKSA-N 406.409 5.023 0 1 HKAF Cc1cccc([C@]2(c3ccccn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587588228 PTPRLGRBGIFEHH-JYFHCDHNSA-N 409.441 5.001 0 1 HKAF Cc1ccccc1-c1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603029 MMUHEQMLVNVFGY-SHQCIBLASA-N 408.453 6.071 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccccc2)cs1 587614323 RVPNGAZVVYDYCF-URXFXBBRSA-N 400.455 5.824 0 1 HKAF O=C(c1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12)C(F)(F)Br 587628260 KAINDDMSWXEQEV-UHFFFAOYSA-N 402.597 5.798 0 1 HKAF CCN(CC)c1ccc(-c2nn(-c3ccc(C)cc3C)c(=O)c3ccccc23)c(O)c1 587664233 CQAKKTVIGSTUOJ-UHFFFAOYSA-N 413.521 5.221 0 1 HKAF Cc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587708744 DFLQSFFGXUXKSW-SGTLLEGYSA-N 416.256 5.545 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(C(F)(F)F)cc2)N1 587714367 PNXRNXYHZMRMBK-ADLMAVQZSA-N 416.256 5.599 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1cc(F)ccc12 587729697 HMVQUWZENXKSEF-AMXDTQDGSA-N 412.277 5.534 0 1 HKAF CCCCCCOc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587790006 DPYWXRSCBFZZFI-NYHFZMIOSA-N 420.366 6.171 0 1 HKAF CC(C)CCOc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587795697 RHBSMVJEARAVGZ-SZNDQCEHSA-N 406.339 5.637 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)[nH]c2ccccc23)N1 587804664 RXNQOFINTDUMTF-ZAMGYDSWSA-N 423.329 6.020 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)s1 587846111 GPVHNAIJVXAWTR-APBUJDDRSA-N 422.388 6.310 0 1 HKAF Cc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)s1 587846112 GPVHNAIJVXAWTR-DGIBIBHMSA-N 422.388 6.310 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(C(F)(F)F)cn1 587855735 RDOUXIPWHPQDGQ-UHFFFAOYSA-N 402.203 5.659 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1ccc(OC)cc1 587861183 MEDIYSJWZLNNHG-UHFFFAOYSA-N 422.337 5.509 0 1 HKAF O=C(O)COc1ccc(CCCN(C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 653709139 PAOGTZSPSKTEIY-UHFFFAOYSA-N 423.896 5.083 0 1 HKAF COc1cccc([C@@]2(c3cccc(Cl)c3)c3cc(OC)ccc3CCN2C(C)C)c1 962089405 IQPUDEKKXAUQAO-SANMLTNESA-N 421.968 5.916 0 1 HKAF CSc1ccc([C@]2(C3CCC3)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962714910 RVUPWJLWFZGOPS-NTKDMRAZSA-N 413.627 5.955 0 1 HKAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](CCc2cccc(Cl)c2)(c2cccs2)N1 962903446 UWLDKNFFUKTTKS-SIKLNZKXSA-N 415.917 5.016 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CC(=O)C[C@@H](c3ccc(C(C)C)cc3)C2)N1 962947590 CBIXNWKBRKXIQE-GNMOFYLKSA-N 400.566 5.948 0 1 HKAF Cc1ccc([C@@]2(CCc3c(C)cccc3C)NCCc3nc4ccccn4c32)c(C)c1 962987422 LPMCLRIPQRWUBV-MUUNZHRXSA-N 409.577 5.590 0 1 HKAF CCOC(=O)CCCCCC[C@]1(C2CCC2)NCCc2cnc3c(OC)cccc3c21 963062424 CQSQNXUHJRYAQR-AREMUKBSSA-N 424.585 5.288 0 1 HKAF CCOC(=O)CCC[C@]1(c2cc(F)cc(F)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963098689 JAOSIPXLLWQBNC-URXFXBBRSA-N 417.471 5.101 0 1 HKAF Cc1ccncc1[C@@]1(c2ccccc2Br)NCCc2cc(Cl)ccc21 963390218 GYQMNAXGNWZEDE-OAQYLSRUSA-N 413.746 5.244 0 1 HKAF COc1ccc(C2=COc3cc(OC)ccc3[C@]23NCCc2cc(Cl)ccc23)cc1 963390894 OFUMSFOOGZCBLZ-VWLOTQADSA-N 419.908 5.180 0 1 HKAF COc1ccccc1CC[C@H]1CN(Cc2c[nH]c3cc(F)ccc23)CCC1(F)F 1772589638 DRIVGIHQTXCIHN-SFHVURJKSA-N 402.460 5.406 0 1 HKAF COc1ccc2nc3c(-c4ccc5c(c4)OCO5)n(Cc4ccccc4)ccc-3c2c1 1857581384 CBVCCWLAAJXSHA-UHFFFAOYSA-N 408.457 5.594 0 1 HKAF C[C@@H](C=C[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)(C)O 2356389546 YVCLBHXJAIJFNU-DBQJZLDFSA-N 412.658 6.734 0 1 HKAF CC(C)C1=C2[C@@H]3CC[C@@H]4[C@](C)(CC[C@H]5C(C)(C)C(=O)CC[C@]45C)[C@@]3(C)CC[C@]2(C)CC1 2356585097 CUFJQMZAPYHTHV-FTZFHBFASA-N 424.713 8.377 0 1 HKAF Oc1ccc(-c2c(-c3cscn3)c(C(F)(F)F)nn2-c2ccccc2)c(O)c1 13125414 YTZHEGVRXQQIIJ-UHFFFAOYSA-N 403.385 5.093 0 1 HKAF COc1ccc(CNC(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)cc1OC 13551597 KGLXEKGIOSGJBJ-UHFFFAOYSA-N 419.521 5.724 0 1 HKAF COc1cccc(Cn2c(C(=O)O)c(Sc3ccccc3)c3cc(Cl)ccc32)c1 16052421 NCLZXEPMARCQOX-UHFFFAOYSA-N 423.921 6.201 0 1 HKAF in-vitro CCCN(CCC)c1ccc(-c2c[nH]c(-c3ccc(/C=C/COCC)cc3)n2)cc1 26577303 VREKUMAJZBMBSC-BQYQJAHWSA-N 403.570 6.420 0 1 HKAF CC[C@H](C(=O)O)[C@@H]1CCc2cc(OCCc3c(-c4ccccc4)noc3C)ccc21 28563409 ZBVFQLFYXGPTBW-REWPJTCUSA-N 405.494 5.412 0 1 HKAF O=C1CS[C@@H](c2cnccc2-c2ccc(Br)cc2)N1C1CCCC1 28819548 ODHRXJMXKREBJO-IBGZPJMESA-N 403.345 5.028 0 1 HKAF CCO[C@]1(Cc2ccccc2)CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 34576181 TXSSZDWFIBTUCV-LZYAVMOFSA-N 408.626 6.616 0 1 HKAF Clc1cc(Cl)c(Cl)c(-c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 40846911 IWWKHAHGGFGFLA-UHFFFAOYSA-N 416.760 8.104 0 1 HKAF Cc1ccc(CCCCC2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 45257626 WMENQMDKVSUACK-UHFFFAOYSA-N 412.617 7.450 0 1 HKAF C[C@H](/C=C/c1cc[n+](C)cc1)[C@H]1CC[C@@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 45340239 SBHBRINKBITFAZ-JOLRKWBQSA-N 420.661 6.100 0 1 HKAF CC(C)(C)c1cccc(NC(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)c1 45372842 MYMCNJDWDXFHLP-UHFFFAOYSA-N 416.481 5.590 0 1 HKAF S=C1NC2=C(CN(Cc3ccccc3)C/C2=C\c2ccccc2)[C@H](c2ccccc2)N1 71340463 CJFDYNWCUFKCPU-ZMIGGIFCSA-N 423.585 5.059 0 1 HKAF CC[C@@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCC(C)C)ncnc21 82177885 XPJMUCGCZUYWKX-CQSZACIVSA-N 421.467 5.506 0 1 HKAF CC[C@H](C)Cn1c(C(C)C)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 82189376 JEEZKBDKRBWNIK-AWEZNQCLSA-N 420.388 5.957 0 1 HKAF O=C(O)c1c(-c2ccc3ccccc3c2)oc2ccc(OCc3cccc(F)c3)cc12 84758255 FMEJNGQXNACMEH-UHFFFAOYSA-N 412.416 6.669 0 1 HKAF c1ccc(-c2csc(N3N=C4c5ccccc5CC[C@@H]4[C@H]3c3cccs3)n2)cc1 95595867 MOSKGJLKTQASHI-CVDCTZTESA-N 413.571 6.400 0 1 HKAF CC(C)=CCCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)C=CC(C)(C)O3)CC2=O 95911417 GMOCXMGQQZXIKU-RUZDIDTESA-N 418.533 6.572 0 1 HKAF biogenic,in-vitro CC[C@@H](C)Nc1ncc(C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccccc2F)n1 105178339 KSEJIORGIAFDGT-VFKUPZNOSA-N 424.564 5.294 0 1 HKAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3ccc(Cc4ccccc4)cc3CC[C@@H]21 117619540 OSLRZRZKFUCTJA-IGKIAQTJSA-N 421.544 5.488 0 1 HKAF CCc1ccc([C@@H]2/C=C/CN[C@@H](c3ccccc3)C(=O)N2Cc2ccc(C)cc2)cc1 169301870 XYEJQXMGABTASH-QJEDAWTBSA-N 410.561 5.528 0 1 HKAF Cc1cc(Nc2cccc(C(F)(F)F)c2)nc(SCc2nc3ccccc3[nH]2)n1 169349038 PCYFTKZAGBOOMK-UHFFFAOYSA-N 415.444 5.716 0 1 HKAF c1ccc(CN2[C@@H](c3ccccc3)C3=C(NO[C@@H]3c3ccccc3)[C@@H]3CCCC[C@H]32)cc1 195440092 AXWBMVPUDJKFSZ-JFIAXGOJSA-N 422.572 6.333 0 1 HKAF C[C@@H]1C[C@H]1c1cc(NC(=O)Nc2ccccc2Br)n(-c2ccccc2)n1 204748974 XJWFYCMGHYJLAU-UKRRQHHQSA-N 411.303 5.402 0 1 HKAF COc1ccc(Nc2nc(-c3ccccc3)c(Cc3ccccc3OC)s2)cc1 210715159 QGFJVUBVMPMSPI-UHFFFAOYSA-N 402.519 6.162 0 1 HKAF NC(=O)c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccco4)c3)cc2)cc1 216423860 ONWRKOHYAGXSHJ-UHFFFAOYSA-N 416.480 6.442 0 1 HKAF CC[C@@H](C)/C=C(\C)[C@H](O)[C@@H](C)/C=C(C)/C=C/C=C\C=C\C=C(/C)C(=O)N[C@H](C)CO 238780844 GDEZZTBHSFKRJN-JJRBZLBVSA-N 415.618 5.034 0 1 HKAF CC(C)=CCc1c(O)cc2oc(-c3ccc(O)cc3O)c(/C=C/C(C)C)c(=O)c2c1O 238788054 JJCKBMOMTDDNBC-RMKNXTFCSA-N 422.477 5.460 0 1 HKAF CC[C@H](C/C=C(/C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 255219081 HZYXFRGVBOPPNZ-IHZXEZOGSA-N 412.702 7.945 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255271499 UIPYFONRKZTOIY-OXVOPZPWSA-N 400.691 7.779 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]45C[C@H](O)CC[C@]4(C5)C3=CC[C@]12C 255287118 ZIHOVBDAEZEART-LAWNZJBZSA-N 412.702 7.779 0 1 HKAF COc1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2cc1OC 587014976 BLNUVETZSHUKKE-UHFFFAOYSA-N 406.294 5.677 0 1 HKAF Clc1cccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 587017456 MGWFHTLKFCOMKV-UHFFFAOYSA-N 410.749 5.755 0 1 HKAF Clc1cnc2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc2c1Cl 587017638 MVUYFLOBZLHERF-UHFFFAOYSA-N 413.293 5.680 0 1 HKAF Fc1c(Br)cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1F 587051846 UKTFPZIKEPBBET-NKWVEPMBSA-N 418.068 6.182 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3ccc4cc(Cl)ncc4c3)nc2c1 587084878 JFEICRQPIFXNIO-UHFFFAOYSA-N 415.724 6.469 0 1 HKAF CC(=O)c1cccc2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)nc12 587098247 WFRVOFDZIIJZNT-UHFFFAOYSA-N 414.464 6.172 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCOc3cc(Cl)ccc32)[C@@H]1c1ccc(F)cc1 587331280 PHMCTQVUBPKPRO-GGAORHGYSA-N 410.828 5.222 0 1 HKAF CC(C)(C)Oc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587344432 CMEOJZDMYIXDMG-ZEQKJWHPSA-N 420.480 5.983 0 1 HKAF CC(C)COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587345542 FTDXFFMDCDKPKM-AOYPEHQESA-N 420.480 5.840 0 1 HKAF CC(C)[C@]1(c2ccc3c(c2)CCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355868 GRIXMHHKEBWIFM-AOYPEHQESA-N 418.464 5.377 0 1 HKAF COc1cccc(-c2cc(-c3c(F)ccc(C)c3F)nc3c2oc2ccccc23)c1 587359128 DENSPFIVJNCLNY-UHFFFAOYSA-N 401.412 6.910 0 1 HKAF COc1cccc(-c2cc(/C=C\[C@@H]3C(C)=CCCC3(C)C)nc3c2oc2ccccc23)c1 587365426 KTILDYINCXWWOI-IHXXNJTDSA-N 423.556 8.052 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3ccccc3)nc1-c1cccs1)O2 587415228 YQJWFNVDNFMMCR-NRFANRHFSA-N 415.518 5.257 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC(C)C)(c1cccc(C(F)(F)F)c1)CC2=O 587464026 GTCVFVYTOMUDQE-JOCHJYFZSA-N 406.444 6.270 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(C)(C)C)cc3c1CCC3(C)C)CC2=O 587488306 IVKUTRYCTQPQRW-NDEPHWFRSA-N 420.593 6.747 0 1 HKAF C[C@]1(c2cc(Cl)ccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587495700 FQZANJAQYIROLH-HXUWFJFHSA-N 405.719 5.862 0 1 HKAF O=C1C[C@H](c2c(C(F)(F)F)cc(Cl)nc2Cl)Oc2c1ccc1c2CCCC1 587506447 JQPIJLYYMCMQCT-CQSZACIVSA-N 416.226 5.993 0 1 HKAF O=C1C[C@]2(CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)Oc2c1ccc1c2CCCC1 587518463 IRSRPWVRMVYACP-BCQCSXDESA-N 401.550 5.202 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1cccc(Cl)c1)CC2 587543955 CTHHXCARLMGAPN-NRFANRHFSA-N 421.880 5.046 0 1 HKAF CC(C)[C@@]1(c2cccc(Cl)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570772 YGQHTLYMMDNRKE-CVDCTZTESA-N 412.844 5.698 0 1 HKAF CCOc1nc2ccccc2cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586598 KUURLYLWJMJMOT-QPPBQGQZSA-N 413.429 5.042 0 1 HKAF CCOc1cc(OCC)cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587593438 DFLWNORYXVRHQZ-WIOPSUGQSA-N 420.461 5.067 0 1 HKAF CCOC(=O)c1c(-c2ccc(F)c(C)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587622950 VFDPDXILJIGLPB-UHFFFAOYSA-N 416.250 5.098 0 1 HKAF COc1ccccc1NC(=O)c1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626223 QYSVKTYANYAMHR-UHFFFAOYSA-N 416.321 5.775 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(C)c3)c(C(=O)c3cc(Cl)ccc3O)c2c1 587641580 MUYHAPXQPYTXSB-MRXNPFEDSA-N 417.936 7.247 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3ccnc3)c(Cl)c2)N1 587697829 ULSKTPNEHUUPIO-WLRWDXFRSA-N 420.713 5.051 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ccc(Cl)c2Cl)N1 587699847 XTJADAMFTRQHKZ-QZTNRIJFSA-N 423.540 6.172 0 1 HKAF CC[C@H](C)Oc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587791125 ILOMQSIXFQNLQN-RRMDADRESA-N 422.338 5.398 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587814918 JEAHHBGKJMQLLR-MZNJEOGPSA-N 424.357 6.031 0 1 HKAF Cc1ccccc1-c1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587855361 VEAZWXJBMSOMGR-BLVKFPJESA-N 417.347 5.644 0 1 HKAF C[C@H](Oc1ncnc2ccc(-c3cnn(C)c3)cc12)c1c(Cl)ccc(F)c1Cl 653819823 DEZNHJPAZHLOPC-NSHDSACASA-N 417.271 5.616 0 1 HKAF CCCC1=N[C@H]2C(C)=CC(C)=NN2[C@H]1Cc1ccc(-c2ccccc2C(=O)O)cc1 653887574 RSSZOEFGMIZGSL-BJKOFHAPSA-N 401.510 5.182 0 1 HKAF COc1cccc(Br)c1[C@@H]1c2ccsc2CCN1Cc1ccco1 962719386 XTJRPKKTXYPBSC-IBGZPJMESA-N 404.329 5.260 0 1 HKAF CCOC(=O)[C@@]1(c2cc(Cl)sc2Cl)c2c(F)cccc2C[C@@H]2CCCN21 963102841 SERIEHUAFKBUNZ-HXPMCKFVSA-N 414.329 5.021 0 1 HKAF COc1ccccc1[C@]1(CCc2ccccc2C)c2c(F)cccc2C[C@H]2CCCN21 963102919 NVFFWBZLRSUFEW-QDPGVEIFSA-N 415.552 6.040 0 1 HKAF CCSc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2c(OC)ccc(OC)c21 963613124 UBSZJUSQJPLBDP-ODXCJYRJSA-N 422.388 5.202 0 1 HKAF CC(C)(C)c1ccc(CSc2c(-c3ccccc3)nn(C(C)(C)C)c(=O)c2F)cc1 1772611027 DYBUGWWOBZJTAN-UHFFFAOYSA-N 424.585 6.394 0 1 HKAF C/C(=C\c1ccccc1)Cn1cc(COc2ccc3c(c2)[nH]c2c(C)nccc23)nn1 1857544485 ITDHTCHJNPIXCA-SFQUDFHCSA-N 409.493 5.299 0 1 HKAF CC[C@@H](C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356476879 RWZXAVHSOHPSBG-FGAXOLDCSA-N 400.691 7.635 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C[C@@H]2Cc3occ(C)c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c3ccoc3)C[C@@H]2[C@@]2(C)CCCC(C)(C)[C@@H]12 2356660259 CSCPSRSJYZJSKL-RPRGBEIUSA-N 412.526 5.534 0 1 HKAF CC(C)C[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356663533 KYFQWFLHOZFGNN-DMOUCZEYSA-N 410.686 7.721 0 1 HKAF CC1=C[C@H](CNC2=CC=C[CH]N2)[C@@H](C(C)C)C[C@@H]1Cc1nnc(-c2ccc(C)cc2)o1 2356860431 YNDJJKDMZMZWJK-DNVJHFABSA-N 417.577 5.194 0 1 HKAF CCCC(/C=C/c1ccc(OC(C)=O)cc1)=C1/c2ccccc2C(=O)N1c1ccccc1 36388885 FDEGLVYUCNUCCP-CQYQEWSKSA-N 423.512 6.497 0 3 HKAF COc1cc(O)c(-c2ccc(OC)c3c(OC)cc(C)cc23)c2c1[C@@H](C)N[C@@H](C)C2 13359104 XVHCBOXBWSMNHG-LSDHHAIUSA-N 407.510 5.142 0 1 HKAF biogenic CCO[C@H](Cc1ccc2oc(Cc3nc(-c4cccs4)oc3C)cc2c1)C(=O)O 27309223 GWZXKVVSMSBDBJ-LJQANCHMSA-N 411.479 5.081 0 1 HKAF O=C1CC[C@]2(c3ccc(-c4ccccc4)cc3)O[C@@H](COc3ccc(Cl)cc3)CN12 27521934 SRWAGDFALVNPJM-ILBGXUMGSA-N 419.908 5.260 0 1 HKAF O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2F)c2ccc(OC(F)(F)F)cc21 64540650 JISCGXAXYYVNGZ-UHFFFAOYSA-N 415.342 5.121 0 1 HKAF COc1ccccc1[C@@H]1c2c(nc3c(c2N)CCCC3)Oc2ccc3ccccc3c21 71296442 QVGAOTIUMFMLBN-DEOSSOPVSA-N 408.501 5.990 0 1 HKAF CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4[C@@H](CC[C@@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@]12C 85506043 ZHDRLFGZQZCZKX-BKNLSJAFSA-N 410.730 9.054 0 1 HKAF CCC(CC)[C@@H](C)C1(C(=O)Nc2ccccc2SC(=O)C(C)C)CCCCC1 95568715 AMHOWMHYRSJEFV-GOSISDBHSA-N 403.632 6.923 0 1 HKAF CCN(CC)C(=O)[C@@H]1Sc2cccc(OC)c2-c2c1c1ccccc1n2CCF 96909198 QJQTZNPNVAWAGZ-JOCHJYFZSA-N 412.530 5.302 0 1 HKAF O=C(Nc1ccc(OC(F)(F)F)cc1C(=O)O)c1ccc(-c2ccccc2)cc1 96938304 ACJZUAUURQGKNK-UHFFFAOYSA-N 401.340 5.203 0 1 HKAF Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1CCC(=O)O 103258599 RCRWPNBOCUJMCZ-UHFFFAOYSA-N 412.595 6.021 0 1 HKAF O=C(NC1CC1)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 167440494 LRFNXZDXINQMOD-JLHYYAGUSA-N 412.518 5.172 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccc(OC)cc2)cc1)C3 169314160 AMHYXJZDPUGVJV-JBYGCRCRSA-N 417.549 5.039 0 1 HKAF Cc1cc2cccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccccc3)CC4)c2o1 169702152 KUNRSIIDBXNCEP-UHFFFAOYSA-N 407.477 5.441 0 1 HKAF CC(C)=CCC/C(C)=C/CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2 238736613 DYDXQMQVVSSWFJ-KUCZMUFWSA-N 422.521 6.135 0 1 HKAF C/C=C(\C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]2CCC=C(C)[C@@]21C 238757538 YZGKWHGGADYHRU-JDRWOVBXSA-N 400.559 5.537 0 1 HKAF CC(C)=CCOc1c(-c2ccc(O)cc2)oc2cc3c(c(O)c2c1=O)C=CC(C)(C)O3 238775478 AZNOIEKZPWNRKQ-UHFFFAOYSA-N 420.461 5.400 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@H]21)C(C)C 255201206 BXOXOWBUVFPMTG-PQHIEWGJSA-N 400.691 7.635 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]([C@@H](C)/C=C/C(C)C)CC[C@H]32)C1 255216956 HJWVRQICRBWPME-DULMFAGHSA-N 412.658 7.345 0 1 HKAF COc1ccc2cc3n(cc-2c1=N[C@H](C)c1ccccc1)CCc1cc2c(cc1-3)OCO2 377840015 FYJTVIQVVVTNEN-QGZVFWFLSA-N 424.500 5.215 0 1 HKAF OCCCCCCCCCCCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586894618 OZJLPULXCVTBAR-UHFFFAOYSA-N 424.429 6.646 0 1 HKAF CCCCc1cc(=O)oc2cc(OCc3nc4cc(Cl)cc(Cl)c4[nH]3)ccc12 586918180 JSWUSTRNCISZPV-UHFFFAOYSA-N 417.292 5.898 0 1 HKAF Cc1cc(Cl)cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12 586960377 PHSFXCLGUNPIRX-HSZRJFAPSA-N 411.752 5.028 0 1 HKAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 586962124 BJXBGLALIXGTBJ-SFHVURJKSA-N 408.552 5.762 0 1 HKAF Cc1ccc2c3c(c4c(nc13)C[C@@H]4c1ccc(C(F)(F)F)cc1)-c1ccccc1C2=O 586993169 MAKCGHRRRWUBNQ-LJQANCHMSA-N 415.414 6.461 0 1 HKAF Clc1cc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2cc1Cl 587029652 RGKRNLNATRSSMU-UHFFFAOYSA-N 400.294 5.391 0 1 HKAF COc1cc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1C 587031036 KYIZQHHMPXCORC-WIJRQFRKSA-N 414.556 5.007 0 1 HKAF FC(F)(F)c1ccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2c1 587049765 LGPKZXKAKDVIMW-UHFFFAOYSA-N 422.837 7.722 0 1 HKAF FC(F)(F)C(F)(F)c1cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2cn1 587055665 WDMXDNVDMODMTJ-PLNGDYQASA-N 408.157 6.089 0 1 HKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(F)c(F)c(Br)cc2[nH]1 587066572 NHPWSWRVIWPNNL-UHFFFAOYSA-N 422.660 6.023 0 1 HKAF Clc1ccc(CC/C(=C/c2nc3cc4c(cc3[nH]2)OCO4)c2ccccc2)cc1 587073172 FTUTVFLZZYXEKU-PDGQHHTCSA-N 402.881 6.118 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(-n4cncn4)cc3Cl)nc3cccc1c23 587104221 QHFGFECJXWNZPZ-UHFFFAOYSA-N 408.848 5.347 0 1 HKAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 587122174 SFEQMBVPYQZWRO-UHFFFAOYSA-N 411.305 6.004 0 1 HKAF Fc1ccc(-c2cn3c(Cc4nc5cc(C(F)(F)F)cnc5[nH]4)csc3n2)cc1 587166185 OPYBACPRMGEPMW-UHFFFAOYSA-N 417.391 5.083 0 1 HKAF C/C(=C\[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)N(C)C 587333095 FVRVRBAJORKUIQ-QEZGCMFJSA-N 417.480 5.251 0 1 HKAF C[C@@]1(c2ccc(OCCF)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335411 QWVROQWXZNRIKK-UPVQGACJSA-N 410.416 5.154 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ncc[nH]2)(C2CCCCC2)[C@H]1c1ccc(F)cc1 587350604 XLEUQDDGNMXXGK-XUZZJYLKSA-N 406.457 5.089 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(F)c(F)c3)nc3cc(C)ccn13)O2 587384655 HEXGLMIHBZQHBT-FQEVSTJZSA-N 419.431 5.185 0 1 HKAF CCCC[C@@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417782 LYKOUHSYOWBXEV-UTKZUKDTSA-N 401.300 5.291 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3c(Br)cccc13)CC2=O 587458077 FXBQZJQTOIDXRD-NRFANRHFSA-N 414.299 5.469 0 1 HKAF O=C1C[C@](c2ccc(F)cc2)(c2cc(Cl)cs2)Oc2c1ccc1c2CCCC1 587504526 HMQFROQLRFBNLR-QHCPKHFHSA-N 412.913 6.328 0 1 HKAF CCCOc1cccc(Cc2nc3cc(Br)c(Br)cc3[nH]2)c1 587570073 UMWZGXAWNPWGJH-UHFFFAOYSA-N 424.136 5.468 0 1 HKAF Cc1ccc(OCC2CC2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587591389 GPXFHKNHTGPGEY-RDGATRHJSA-N 402.446 5.192 0 1 HKAF CC1=C(CC[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(C)(C)CCC1 587601778 HJASWXKRERVXTH-ATIYNZHBSA-N 406.522 6.419 0 1 HKAF CC[C@H](C)c1ccc([C@@]2(CC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587602353 JKOZQFQYHIHKMP-UIIQVKDUSA-N 402.490 6.173 0 1 HKAF Clc1ccc(-c2c(-c3ccccc3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 587622021 UPAVHVXJWRGXIQ-UHFFFAOYSA-N 422.713 6.794 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)c3ccccc3C(F)(F)F)c(C(F)(F)F)[nH]c12 587623867 AORVNSYLQSACDO-UHFFFAOYSA-N 405.725 6.398 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)NC1CCCCCCC1 587625646 LEVCYFJBBMMQAF-UHFFFAOYSA-N 420.397 6.357 0 1 HKAF Cc1cccc(C(=O)c2c(-c3cc(Cl)ccc3O)[nH]c3cc(Cl)c(F)cc23)c1 587627865 DQFKNTISRGTPER-UHFFFAOYSA-N 414.263 6.526 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)ccnc2Cl)N1 587704685 KOWXBGIKGFNWNY-ZKANADHPSA-N 404.110 5.088 0 1 HKAF Cc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587711983 YXWUBYPFZKKZJE-QGHHPUGFSA-N 420.219 5.376 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2c(F)cccc2Cl)N1 587717763 GONOQDFKLIBLTP-QFYYESIMSA-N 400.694 5.589 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2CCCCF)N1 587722771 ZRLMPEIAIYZECR-SPLOXXLWSA-N 408.330 5.678 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(F)c3)cc2)N1 587728873 GAPAZICXMIBFFA-DMZKTXOQSA-N 414.293 6.018 0 1 HKAF CCOc1ccc2nc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 587780280 ZVBKRGIXNUMORO-LAJNKCICSA-N 415.306 5.159 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccccc2)N1 587809627 ARKUXNFUKGLHRP-HJPURHCSSA-N 410.330 5.609 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(c3ccc(O)cc3)CC2)N1 587834590 SJAKWVUURHTYJY-TZHTUTLZSA-N 404.323 5.381 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccsc1-c1sccc12 587858023 NYKJFMBZGBBSME-VIFPVBQESA-N 406.345 5.518 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)CN1CCCCCC1 587866298 JHQHBBOOZLIXSU-INIZCTEOSA-N 423.479 5.120 0 1 HKAF Cc1c(C2CC2)cc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cn12 653716368 VTXQTDBKNILZTB-UHFFFAOYSA-N 404.388 5.041 0 1 HKAF O=C(O)c1cccc(NC(=O)c2ccc(NC(c3ccccc3)c3ccccc3)cc2)c1 653779701 LXMHELGLETYDKX-UHFFFAOYSA-N 422.484 5.839 0 1 HKAF CCCCc1ccc([C@@]2(c3ccnc(C)c3)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963100888 IZNSZNOFCNOOGJ-LBNVMWSVSA-N 414.568 6.184 0 1 HKAF Cc1cccc2c(Oc3c(Cl)cccc3Cl)nn(-c3ccc(C(=O)O)cc3)c12 1772579005 OPMJWULKAWOTPC-UHFFFAOYSA-N 413.260 6.131 0 1 HKAF Cc1cc(=O)oc2cc(NC(=O)CCc3ccc(NC(=O)OC(C)(C)C)cc3)ccc12 1772632400 AKGZAWJJWCRYRJ-UHFFFAOYSA-N 422.481 5.020 0 1 HKAF Clc1cccc(Nc2ncnc3sc4c(c23)CCN(Cc2ccccc2)C4)c1 1857579840 BJYPRXWZUSVETQ-UHFFFAOYSA-N 406.942 5.647 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C 2356463161 QTDBKXCBANSXOY-TUVPMBHTSA-N 418.662 5.618 0 1 HKAF CC[C@H](C)CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](O)CC[C@]12C 2356658184 JBMWFOFITHEFEY-BTWAXOLHSA-N 404.635 6.462 0 1 HKAF CC1(C)CC[C@]2(C)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@H]5CC[C@H](O)C(C)(C)[C@@H]5CC[C@@H]43)[C@H]2C1 2356727410 NAWYQIYLOZTOBS-OJOYIKBMSA-N 414.674 6.360 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1ccc(Cl)c(F)c1)Oc1ccccc1-3 3831946 WNRXXFMGMKLIHP-XMMPIXPASA-N 405.900 7.235 0 1 HKAF Clc1cc(Cc2cc(Cl)c(Cl)c3c2OCOC3)c2c(c1Cl)COCO2 5722928 GWEDPUGSHMEBHG-UHFFFAOYSA-N 422.091 5.624 0 1 HKAF Cc1cc(-c2ccc(C(=O)C(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]2)on1 5922341 KYWWGTKCWXHCGV-UHFFFAOYSA-N 418.496 6.195 0 1 HKAF O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3cccc(O)c3)c2)c(Cl)c1 14969252 JZWJJUYPJLFLBM-UHFFFAOYSA-N 405.233 5.491 0 1 HKAF COc1ccc([C@@H]2COc3c(ccc4c3C=C[C@@](C)(CCC=C(C)C)O4)C2)c(O)c1 15268987 RUYCHAPZLGACHW-AFMDSPMNSA-N 406.522 6.030 0 1 HKAF biogenic C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@]21OC[C@@H](c2ccccc2)O1 28522910 XNIUAXSBXHRMHT-SDHOMARFSA-N 402.469 5.235 0 1 HKAF Cc1c(SCc2ccc(CCCCOCCF)cc2)oc2ccccc2c1=O 28710966 RPNUTXBOWUAVPE-UHFFFAOYSA-N 400.515 5.703 0 1 HKAF O=C1CS[C@H](c2cnccc2-c2ccc(Br)cc2)N1C1CCCCC1 28819555 IMUCSPIWXNWALG-HXUWFJFHSA-N 417.372 5.418 0 1 HKAF O=C(CC(c1ccccc1)c1ccccc1)N1CC=C(c2ccc(Cl)cc2)CC1 29054246 JNAUQUYERIQMKK-UHFFFAOYSA-N 401.937 6.178 0 1 HKAF CC[C@H](Cn1nc(C(F)(F)F)cc1C1CC1)OC(=O)Nc1ccc(F)cc1F 40412810 YAGBYEWDCBKZRJ-GFCCVEGCSA-N 403.351 5.085 0 1 HKAF Cc1ccc([C@](O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)cc1 49115649 LKQFRCCEWHAKLX-NRFANRHFSA-N 400.375 5.271 0 1 HKAF CCCCOCCCNc1ccc(-n2cc(C(F)(F)F)ccc2=O)c(Cl)c1 73298709 LLIAMVRJLRSAQY-UHFFFAOYSA-N 402.844 5.128 0 1 HKAF CN1c2ccccc2C(=O)N(c2ccccc2)[C@H]1c1ccc(-c2cccs2)s1 95583557 SZEWXSYEJFTQSB-QFIPXVFZSA-N 402.544 6.272 0 1 HKAF COc1cc2nc(C(C)C)n(-c3ccccc3)c2cc1OCc1ccc2ccccc2n1 103247854 YTYVYPAPXMLUQN-UHFFFAOYSA-N 423.516 6.285 0 1 HKAF CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(O)cc2)C2=C(O)CC(C)(C)CC2=N1 103665630 OXWYEXYTJDPSCM-JOCHJYFZSA-N 409.526 5.712 0 1 HKAF C/C(=C\c1nsc(Nc2cc(Cl)ccc2C)n1)NC1CC(C)(C)NC(C)(C)C1 103946855 DLBLAPABYSMUCO-NTEUORMPSA-N 420.026 5.503 0 1 HKAF Cc1ccccc1CSc1nc2nncc-2c(O)n1-c1cccc(C(F)(F)F)c1 103971155 RXQAIAAMXADSNB-UHFFFAOYSA-N 416.428 5.092 0 1 HKAF Cc1nc2sc3c(c2c(-c2cccnc2)c1[C@@H](OC(C)(C)C)C(=O)O)CCCC3 113123814 RVICJNQHLPVBRH-HXUWFJFHSA-N 410.539 5.486 0 1 HKAF C[C@H](CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)c1cc[n+]([O-])cc1-2 169347749 KEXFFAGZENSRSA-MRXNPFEDSA-N 407.485 5.586 0 1 HKAF CN[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)N(C)C)CC[C@]4(C)[C@H]3CC[C@H]2C1(C)C 257460792 KAJJJHQOCJKBCL-NAEOIOAESA-N 402.711 6.210 0 1 HKAF COc1ccc(Cl)cc1Nc1ncc(-c2sc(NC(=O)C(C)(C)C)nc2C)o1 299840817 WIQMABDWLXUECW-UHFFFAOYSA-N 420.922 5.497 0 1 HKAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 586887865 JKUFREXPGQAFCP-HWPZZCPQSA-N 413.237 5.490 0 1 HKAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 586915641 GHSALYKCQMXHDR-YJYMSZOUSA-N 419.706 5.195 0 1 HKAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(F)c(F)cc4[nH]3)c(=O)oc2c1C 586917046 CGBLGKBMLODSRM-UHFFFAOYSA-N 424.447 5.500 0 1 HKAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1 586950024 MNIWFULHAGDSLQ-UHFFFAOYSA-N 420.538 5.032 0 1 HKAF Cc1c(Br)cnc2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc12 587016412 VKZRADMXLCMBQL-UHFFFAOYSA-N 405.708 5.473 0 1 HKAF Cc1cc(Br)cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 587018234 YWXBJBSVWPZFNH-UHFFFAOYSA-N 405.708 5.473 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4nccc(Br)c4[nH]3)cc2)n1 587020839 YXFQXCWZQGBECO-UHFFFAOYSA-N 417.357 5.445 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(C(=O)N(C)C)ccc4[nH]3)c21 587030770 KZCRTVMVCMQVDG-CQSZACIVSA-N 404.539 5.224 0 1 HKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cccc(Br)c2[nH]1 587044810 SWMIKXLFOSLNGK-UHFFFAOYSA-N 402.075 5.316 0 1 HKAF Cc1ccc(-c2cc(-c3nc4cc(Cl)cc(F)c4[nH]3)c3cccc(Cl)c3n2)o1 587083286 MEZBXZNVQHHPGE-UHFFFAOYSA-N 412.251 6.792 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(OCCCC(=O)O)cc4)nc13)-c1ccccc1C2=O 587096435 JSJAJUJUBAUZPQ-UHFFFAOYSA-N 423.468 5.665 0 1 HKAF Nc1ccc2c(c1)oc1ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc12 587103698 ABUSKPINKSDCOS-UHFFFAOYSA-N 412.448 6.595 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CN(C(=O)OCc1ccccc1)CC3 587105121 PCNBNYLOJPCGCQ-UHFFFAOYSA-N 420.468 5.141 0 1 HKAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(OC)cc4[nH]3)nc2n1 587114802 IDFAVKLJGFZNMM-UHFFFAOYSA-N 421.448 5.037 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(Cc3cccc(-c4ccc(F)cc4OC)c3)nc2c1 587159303 XICJOSROGUNGLX-UHFFFAOYSA-N 424.859 5.408 0 1 HKAF Cc1cc(Br)cc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c12 587163264 NOWFRVFPVQHVFR-UHFFFAOYSA-N 409.258 5.671 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CC[C@H](Cc3ccccc3)C2)[C@H]1c1ccc(F)cc1 587353800 OZPYFSKKHJLIFY-VAQLEPBLSA-N 402.465 5.672 0 1 HKAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc(Cl)cc1 587378443 CFYVRVKGNNSSGY-JOCHJYFZSA-N 423.896 5.525 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3cccc(C(F)(F)F)c3)o1)O2 587381693 JSPLHQAUUAUBPZ-HXUWFJFHSA-N 417.383 5.475 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(Cl)c(C)cc1O)[C@@H](C2)C3=O 587422004 ORVKKBAYTJLCMT-MHECFPHRSA-N 406.865 5.054 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](CC(=O)O)CCC[C@@H]1c1ccccc1 587491025 TXDUOLHILNWVLH-FLPMJASOSA-N 408.494 5.107 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1csc3ccccc13)CC2=O 587493298 DMCYWBNBGXQGGU-QHCPKHFHSA-N 410.491 5.285 0 1 HKAF C[C@@]1(c2c(Cl)ccc(Br)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587506847 QAUKPONLSMAVMA-FQEVSTJZSA-N 423.709 6.001 0 1 HKAF C[C@]1(c2ccc(-c3ccc(C(=O)O)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587529144 JNBJLDCDXIVELX-HHHXNRCGSA-N 412.485 5.811 0 1 HKAF CC1(C)CCC2=C(O1)c1ccccc1C(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587530437 BXNVHMALFYXBMF-MHZLTWQESA-N 414.501 5.466 0 1 HKAF CCc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587576870 LAVGDZOJZBWMPC-ZEQKJWHPSA-N 411.457 5.448 0 1 HKAF CC[C@@]1(c2ccc(OCC(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595478 OKJWASRRASWXJJ-OZXSUGGESA-N 418.489 5.694 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1sccc1Oc1ccccc1 587615537 YBKZHMBWJTUWCO-NZQKXSOJSA-N 416.454 5.949 0 1 HKAF Cc1cccc(-c2csc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)c1 587616286 ZVILWDNDQJMJQE-REWPJTCUSA-N 415.470 5.527 0 1 HKAF CCn1c2ccccc2c2cc(NC(=O)c3c(C)[nH]c4c(C)cc(Cl)cc34)ccc21 587627419 VNHHQAFZZIJWMM-UHFFFAOYSA-N 415.924 6.818 0 1 HKAF O=C(c1cc(Cl)ccc1Cl)c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587627773 BWYURUTYVAKOML-UHFFFAOYSA-N 410.581 6.517 0 1 HKAF O=C(O)c1cccc2c([C@H](C(=O)O)c3ccc(Cl)cc3)c(-c3ccccc3)[nH]c12 587639269 YZRDCCUJNDMNQV-GOSISDBHSA-N 405.837 5.403 0 1 HKAF CC(C)(C)c1ccc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)cc1 587648681 FRMQOHVQEAXJQP-UHFFFAOYSA-N 423.456 5.119 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC2CC2)(c2ccc(Cl)cc2)N1 587702204 OMAQBDFIBIUNIS-ODXCJYRJSA-N 408.742 5.820 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(C(F)(F)F)c2)N1 587712056 NJBHWQJSQDBUFO-HUTHGQBESA-N 418.228 5.110 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nc3ccccc3n2C(F)F)N1 587715626 HZCOBLDEDZYONB-OVWNDWIMSA-N 424.264 5.131 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OC(F)F)N1 587717209 KSSZVRJYYYZVAH-PWJLMRLQSA-N 420.656 5.467 0 1 HKAF CC[C@]1(c2ccc(OC(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587722688 ZIZBXXJZXPDHMF-NSPYISDASA-N 414.265 5.377 0 1 HKAF CCCCOc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587789452 CCEKIDHNWMNWEB-LHSJRXKWSA-N 406.339 5.565 0 1 HKAF COc1ccc([C@H](C)[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587810375 WZUWCJGVZPAHOH-BHVCSQLQSA-N 422.338 5.159 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(=O)C3CCCC3)c2)N1 587818788 JVZVUKCPFQMPNB-LRTDBIEQSA-N 416.334 5.585 0 1 HKAF CCCCc1oc2ccccc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587825872 BKICILPVLRXABQ-MCMMXHMISA-N 416.334 6.301 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(O)c2)N1 587834681 STAMRTIIGNTYFO-JLCFBVMHSA-N 412.302 5.120 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2oc2ccccc23)N1 587834725 SCTCCDRKYLSUPR-QKVFXAPYSA-N 410.286 6.111 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3sc4ccccc4c32)N1 587855001 FDGBWXYRICCEJC-GIPWTMENSA-N 402.332 5.527 0 1 HKAF COc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c(O)c2)cc1OC 587928048 XDBQFZWHLGHFGV-UHFFFAOYSA-N 414.383 5.639 0 1 HKAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1 587929372 HWTFRWLUIRIJTN-SPLOXXLWSA-N 415.331 5.566 0 1 HKAF FC(F)(F)c1cc(Br)c2nc(-c3ccc(OC4CCC4)cc3)[nH]c2c1 587950738 FTRSMVXYQAFFRP-UHFFFAOYSA-N 411.221 5.943 0 1 HKAF Cc1ccc2[nH]cc(CNCc3cc(-c4ccc(F)c(C(F)(F)F)c4)no3)c2c1 653716329 HAENUQBBWOTAHW-UHFFFAOYSA-N 403.379 5.579 0 1 HKAF COc1ccc(CNc2c(-c3ccccc3O)nc3ccc(Br)cn23)cc1 653717520 HKFGTRWTMQYJOL-UHFFFAOYSA-N 424.298 5.090 0 1 HKAF COc1c(Cc2ccccc2)cc(-c2ccccc2)cc1C(=O)N[C@H]1CC[C@@H](C)CC1 653842834 IKZMPAFFXXAWEZ-IHRKKFBRSA-N 413.561 6.262 0 1 HKAF CCOc1ccc2ccccc2c1[C@H]1c2ccsc2CCN1Cc1cccn1C 962396226 FQAQMJRWFHDDER-RUZDIDTESA-N 402.563 5.786 0 1 HKAF CC(C)c1nn(C)c2c1[C@]1(CC[C@H]3c4ccc5cc(O)ccc5c4CC[C@@]31C)NCC2 962915674 ATFULUDWHFBDTB-CAVYSCNFSA-N 415.581 5.273 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)C2(C[C@@H]3CCC[C@H](C2)N3Cc2cccs2)N1 962945933 HPRIDCNTASUPPR-GANLGLDZSA-N 405.611 5.566 0 1 HKAF Cc1cc(F)ccc1-c1ccc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)o1 962973369 KLIXTDMTBYPZGX-YWZLYKJASA-N 421.802 5.014 0 1 HKAF Fc1cccc2c1[C@](c1ccccc1)(c1ccc(C3OCCO3)s1)N1CCC[C@@H]1C2 963100843 LAGXLLUVPRFDMQ-CLOONOSVSA-N 421.537 5.245 0 1 HKAF CN1CCc2c(Br)cccc2[C@@]1(c1cccc(Cl)c1)c1ccccn1 963280167 NNFZHZYFPWUXRL-NRFANRHFSA-N 413.746 5.277 0 1 HKAF COc1ccc(CC[C@@]2(c3cc(F)cc(F)c3)NCCc3cccc(Cl)c32)cc1 963391089 PRBXFWMDLYERTI-DEOSSOPVSA-N 413.895 5.649 0 1 HKAF COc1ccc2c(CN3CCC(F)(F)[C@@H](CCc4ccccc4OC)C3)c[nH]c2c1 1772578724 JRJHAQOGLFHOBV-IBGZPJMESA-N 414.496 5.275 0 1 HKAF CCN(CC)CCCN=c1[nH]c(/C=C/c2ccc(F)cc2)nc2ccc(Cl)cc12 1857582838 AFEOYIOQTIXAMX-MDWZMJQESA-N 412.940 5.158 0 1 HKAF O=C(O)c1ccc2c([C@H](CC(F)(F)F)c3cccs3)c(-c3ccccc3)[nH]c2c1 1857621749 UZDWXEKREUGZER-MRXNPFEDSA-N 415.436 6.679 0 1 HKAF Cc1cc(-c2nccc3c(Nc4ccc(F)c(C(F)(F)F)c4)c(N)oc23)ccn1 1857656710 QHHOSMNBNCSDMY-UHFFFAOYSA-N 402.351 5.682 0 1 HKAF CC(=O)N(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@@H](C)N(C)C)C1 2356337492 WDKKOVABYKVZIW-VEWMLWQXSA-N 402.667 5.442 0 1 HKAF C=CC(=CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 2356628446 UEWMGQVBSUKDSE-NQDRRATMSA-N 410.686 7.721 0 1 HKAF O[C@@H]1CN2CCCC=CCCCCCC3=C[C@H]4CN5CCCCC=CCC[C@@](C2)([C@H]14)[C@@H]35 2356697507 SVFQETJDDGVUQV-UZINISAASA-N 424.673 5.327 0 1 HKAF O[C@@H](Cc1cccc(Br)c1)c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 61902751 IIQQUOZJIKLJSD-INIZCTEOSA-N 411.221 5.134 0 3 HKAF CCCCNC(=O)c1ccc2c(c1)[C@@H](NCc1ccccc1)CC1(CCCCC1)O2 2489041 IBKQEEUITKKMII-QHCPKHFHSA-N 406.570 5.533 0 1 HKAF O=C(O)c1cccc(-c2ccc(NCc3ccc(S)cc3)cc2-c2ccccc2)c1 13471856 KYQDAJHRLUPCPY-UHFFFAOYSA-N 411.526 6.620 0 1 HKAF COc1cccc(C(=O)N2c3ccc(F)cc3[C@@H](Nc3ccc(F)cc3)C[C@H]2C)c1 13490211 HIDPZDVJHQLXGQ-QRQCRPRQSA-N 408.448 5.566 0 1 HKAF Cc1cc(NCc2ccc(O)cc2)c2c(n1)c(-c1ccc(Cl)cc1Cl)nn2C 13553444 LOVIISDOIGROSZ-UHFFFAOYSA-N 413.308 5.568 0 1 HKAF CC(C)=CCc1cc2c(cc1O)OC[C@@H](c1cc(CC=C(C)C)c(O)cc1O)C2=O 14780894 BAIKLEGWKHNKLT-FQEVSTJZSA-N 408.494 5.180 0 1 HKAF biogenic COc1ccc(-c2coc3c(C/C=C(\C)CCC=C(C)C)c(O)cc(O)c3c2=O)cc1 15120703 RWUBJKHMUVFQCA-CAOOACKPSA-N 420.505 6.115 0 1 HKAF biogenic,in-vitro Cc1cc(C)cc(-c2c(OC[C@H]3CCCN(C)C3)c3cccc(Cl)c3[nH]c2=O)c1 26578531 YUKUGGBTQBRLKW-KRWDZBQOSA-N 410.945 5.186 0 1 HKAF CC(C)c1cc(C(C)(C)C)cc(-c2ccc(F)cc2)c1OC[C@H]1C[C@@H](O)CC(=O)O1 26750855 CGGPCFNVLQHVMI-WOJBJXKFSA-N 414.517 5.359 0 1 HKAF O=C(Nc1cc(Cl)cc(Cl)c1)NC1CCN(CC2=CCCCCCC2)CC1 28708501 MWEGETXRJZIQJZ-UHFFFAOYSA-N 410.389 5.860 0 1 HKAF CCC(O)(CC)CCCC[C@@]1(C)CC[C@@H](/C=C/C=C2C[C@@H](O)C[C@H](O)C2)C1(C)C 29392345 XRDCPJQRICZISF-VFJKPSPGSA-N 406.651 5.929 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 36189370 QASMLJURBZXYNW-RIEADKCJSA-N 401.679 6.928 0 1 HKAF c1ccc(CN2CCC(NCc3ccc(-c4cncc5ccccc45)cc3)CC2)cc1 45202129 ZZIPZTIDHRDBEW-UHFFFAOYSA-N 407.561 5.656 0 1 HKAF Cc1cccc2nc(-c3cccc(-c4cccc(CNCCc5ccncc5)c4)c3)[nH]c12 45209672 LTXYWXRMAYLMIR-UHFFFAOYSA-N 418.544 5.933 0 1 HKAF O=C(Nc1ccc(F)cc1)N1CCc2ncccc2[C@H]1c1ccc(C(F)(F)F)cc1 59085259 RORQRTUPQNMYOQ-HXUWFJFHSA-N 415.390 5.419 0 1 HKAF CCCCc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)cc1 71340813 GXPOEXFHJJEOLO-UHFFFAOYSA-N 416.481 5.461 0 1 HKAF Brc1ccc(-c2nc(CN3CCC(Cc4ccccc4)CC3)co2)cc1 72182421 XNCROHSZMFVURI-UHFFFAOYSA-N 411.343 5.559 0 1 HKAF CCOc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=S)cc1 73410631 RPMLJXRLAIBXOI-UHFFFAOYSA-N 422.937 6.658 0 1 HKAF COc1cc([C@H]2c3ccc4ccccc4c3Oc3nc4c(c(N)c32)CCCC4)ccc1O 95561725 OJLHQYMZDBCDMI-QHCPKHFHSA-N 424.500 5.696 0 1 HKAF O=c1c(CC[C@H](O)c2ccc(F)cc2)coc2cccc(OCC3CCCCC3)c12 96258457 JGKJGRDDJUUSHB-NRFANRHFSA-N 410.485 5.557 0 1 HKAF Clc1ccc(C2=C(c3cc(-c4ccccc4)no3)[C@@H]3CC[C@@H](C2)S3)cc1Cl 101388715 BLHHCJYOCBBQLB-BTYIYWSLSA-N 414.357 7.227 0 1 HKAF O=C(c1cnccc1Oc1cccc2cccnc12)N1CCN(C2CC2)c2ccccc21 169349693 LZCOGQJCRULDJL-UHFFFAOYSA-N 422.488 5.051 0 1 HKAF O=S(=O)(Oc1ccccc1)c1ccc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1 584905417 OBWTWQODGLXVRA-UHFFFAOYSA-N 418.470 5.200 0 1 HKAF in-vitro COC(=O)c1cc2[nH]c(-c3ccc(C4CCC4)cc3)nc2c(F)c1Nc1ccccc1 586881103 QFKPPZRUGILXPV-UHFFFAOYSA-N 415.468 6.167 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)c(F)cc3[nH]2)C[C@H]2CCCC[C@H]21 587026877 MOWXQSKPVZXQRU-ZNOIYHFQSA-N 417.937 5.492 0 1 HKAF CC(C)CCOc1cc2nc([C@@H]3Cc4ccccc4S3)[nH]c2cc1Br 587044100 ZIPHBHABWXOVPF-IBGZPJMESA-N 417.372 6.140 0 1 HKAF Cc1ccc2[nH]c(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)nc2c1 587060566 AHPOTEYCWWGDGV-UHFFFAOYSA-N 401.901 5.602 0 1 HKAF COC(=O)c1cc(Cl)c2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c2c1 587077495 ZHGUTXIIJIHKOY-UHFFFAOYSA-N 414.248 5.091 0 1 HKAF Fc1c(Br)ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 587081766 FKKLDJFWVZLXDX-UHFFFAOYSA-N 421.657 5.018 0 1 HKAF COc1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2cc1Cl 587082425 NQTRPWVNABJRDT-UHFFFAOYSA-N 420.299 6.761 0 1 HKAF Cc1c(Br)ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 587112448 MVFHPCXEFLEOOU-UHFFFAOYSA-N 406.205 5.868 0 1 HKAF Cc1c(Br)cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1C 587113094 RLMUINGEYUFIEX-UHFFFAOYSA-N 420.232 6.176 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587159362 ZYPFRNSKOORPDR-UHFFFAOYSA-N 418.365 6.126 0 1 HKAF O=S(=O)(Nc1ccccc1-c1nc2cc3ccccc3cc2[nH]1)c1ccc(F)cc1 587169873 DEUSKXQQNKXLAP-UHFFFAOYSA-N 417.465 5.323 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 587195094 BEUPAOQEUHUCMI-UHFFFAOYSA-N 406.408 5.323 0 1 HKAF Cc1ccc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 587199754 NFPWSRPUWCKQQW-KRWDZBQOSA-N 411.505 5.813 0 1 HKAF Cn1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587342687 PBCAFXUVQWFPEO-UKILVPOCSA-N 401.437 5.297 0 1 HKAF COc1cccc(-c2c(C)c(-c3ccc4c(c3)CCO4)nc3c2oc2ccccc23)c1 587367663 YFMADSVPFIGTKU-UHFFFAOYSA-N 407.469 6.567 0 1 HKAF C[C@]1(c2ccc3nc(O)sc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587374718 PSBRLYOTGGPZAW-NFBKMPQASA-N 421.449 5.121 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1c(C)[nH]c3ccccc13)O2 587383788 GTFCSXOONLXRJU-VWLOTQADSA-N 400.453 5.415 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(c3ccccc3)c3ccccc3)cc1)O2 587385598 DIHOEKCGCMXCGU-HHHXNRCGSA-N 420.512 6.754 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1cc(Cl)ccc1Cl)CC2=O 587462563 PABOLFQHOMKFLG-OAQYLSRUSA-N 416.304 6.149 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-n3cc(C(F)(F)F)cn3)cc1)CC2=O 587464174 KMAGEFZUELRFRP-FQEVSTJZSA-N 416.399 5.256 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC)c(-c3ccccc3)c1)CC2=O 587480281 OLBJJVFEHFSHMJ-VWLOTQADSA-N 402.490 6.117 0 1 HKAF Cc1ccncc1[C@]1(c2cccc(F)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 587501472 BYWPBOCQUHENGY-AREMUKBSSA-N 401.481 5.625 0 1 HKAF O=C1C[C@@H](c2ccccc2Oc2ccc(Cl)c(F)c2)Oc2c1ccc1c2CCCC1 587501927 GWCMDMBIIYERBG-DEOSSOPVSA-N 422.883 6.857 0 1 HKAF COc1cncc(NC(=O)OC(C)(C)C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587514999 ZODABPCDOKBCBY-IBGZPJMESA-N 424.497 5.023 0 1 HKAF C[C@]1(c2cc(F)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547387 LGWNGNRLXBLWQO-WIYYLYMNSA-N 418.342 5.427 0 1 HKAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(F)(F)F 587547875 MESYXMRNTUAPTK-NQIIRXRSSA-N 416.351 5.123 0 1 HKAF C[C@@]1(c2cc(F)c(F)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555376 GHXMPRJEVMIJTC-RXVVDRJESA-N 402.780 5.201 0 1 HKAF Cc1ccc(C)c(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587580904 ZZUZGVAGZDWALK-BVAGGSTKSA-N 411.457 5.503 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2cccnc2)cc1 587589240 WNYLVWHUZSCDRS-RCZVLFRGSA-N 411.413 5.282 0 1 HKAF CC(C)(C)OC(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587594902 LXXHNCNYGPEOPU-REWPJTCUSA-N 418.445 5.050 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)c3ccc(F)cc3)c(C(F)(F)C(F)(F)F)[nH]c12 587624946 WTTWSZAUXHXGID-UHFFFAOYSA-N 405.725 6.154 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(Cl)o2)N1 587682759 VFHYRFRGJMUZGH-IYQDAUBNSA-N 423.507 5.221 0 1 HKAF COc1cc(C)c(Cl)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587692115 JVKRHGRUIRFPCM-WYRIXSBYSA-N 412.730 5.356 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccccc3F)no2)N1 587729499 VRIKFVGKEZVSMK-APBUJDDRSA-N 405.242 5.006 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)OC(C)(C)C)cc2)N1 587793371 NRMTYVUZUNVRBF-CWTRNNRKSA-N 420.322 5.167 0 1 HKAF CCOC(OCC)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587794585 OYTQRHVXRDBDCV-ZUOKHONESA-N 422.338 5.283 0 1 HKAF Cc1cccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)c1 587827310 JLFDHMQHGMNLQO-ZSEKCTLFSA-N 400.291 5.780 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC2CCOCC2)(c2ccccc2)N1 587834024 JTSHWYYITLPUJK-IVZQSRNASA-N 418.350 5.183 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1cccc(C)c1C 587866318 APDHQMVAKDPHCN-UHFFFAOYSA-N 419.472 5.830 0 1 HKAF CCCCOc1ccc(OCCCC)n1-c1cc(Cl)cc(Br)c1 587940483 LBTVXEHKBKAEER-UHFFFAOYSA-N 400.744 6.251 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@H]1c1ccc(-c2ccc(F)cc2)s1 962401141 VNRCUDDTYPXUNL-QHCPKHFHSA-N 408.567 6.102 0 1 HKAF COc1ccc2c(c1OC)[C@@H](c1ccc(-c3cc(C)cc(C)c3)cc1)N(C)[C@@H](C)C2 962628147 OJRDOOCNZYQFFS-AFMDSPMNSA-N 401.550 5.953 0 1 HKAF Cc1ccc(C)c([C@]2(C3CC3)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962641077 NEQGFQIDSADXGR-WNJJXGMVSA-N 408.589 5.704 0 1 HKAF Cc1sc2c(c1C)CCN[C@H]2c1ccc(COc2cc(Cl)ccc2Cl)o1 963013713 SAMIRMYMZDVQKH-IBGZPJMESA-N 408.350 6.079 0 1 HKAF CC1(C)CCSc2ccc(NC(=S)Nc3ccc(OC(F)(F)F)cc3)cc21 1857566003 GLRVURRWCZSJQO-UHFFFAOYSA-N 412.502 6.168 0 1 HKAF Cc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1cnc(-c2cccnc2)s1 1857636318 SABURUARIXCDMZ-UHFFFAOYSA-N 411.555 6.971 0 1 HKAF CSc1ccc(/C=C2/C(C)=C([C@H](C)C(=O)NCCN(C)C)c3cc(F)ccc32)cc1 1857636940 NNBKZCGLDGWASW-CPEHUTGBSA-N 424.585 5.189 0 1 HKAF O=C1C[C@@H](c2ccc(-c3nnc(-c4ccc(Cl)cc4)o3)cc2)Oc2ccccc21 1911585382 HXWWWOQNBNJNKJ-NRFANRHFSA-N 402.837 5.764 0 1 HKAF C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C=C(O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 2356359235 GPPRBZOWVGZNTF-CTKAKYENSA-N 412.614 6.405 0 1 HKAF CC(C)=CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356608323 KZWQCRVASYOFHQ-CMLATAPCSA-N 418.662 5.474 0 1 HKAF O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1Cl 13814654 KHEXXENPPWDAHU-UHFFFAOYSA-N 404.097 5.073 0 1 HKAF Fc1ccc2c(CCCN3[C@H]4CCC[C@@H]3c3c([nH]c5ccc(F)cc35)C4)noc2c1 13827356 SVUPKIFOEXQRAR-KSFYIVLOSA-N 407.464 5.672 0 1 HKAF COc1ccc(-c2ccoc2)cc1[C@@H]1[C@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 13830031 WYRUCDCEDBQBNX-GTANMZPNSA-N 413.517 5.867 0 1 HKAF C/C(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/CO)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1 15156996 OOJOUQLXWXASLN-OEAITVNYSA-N 410.598 5.751 0 1 HKAF endogenous,in-man CCO[P@@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCCC1=S 26287752 XLHIHFISSKGGRI-VWLOTQADSA-N 416.508 6.116 0 1 HKAF CC(C)(C)c1ccc(-c2c[nH]cc2[C@H](c2ccc(Cl)cc2Cl)n2ccnc2)cc1 26653368 DULCCGQQCJNKEM-QHCPKHFHSA-N 424.375 7.120 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@@H](C)C[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 26949845 XUTZDXHKQDPUMA-JCQQQWCESA-N 415.706 7.174 0 1 HKAF COc1ccccc1C(=O)Nc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1 28372683 LDSWYNOVUGAEFH-HNNXBMFYSA-N 423.513 5.134 0 1 HKAF CN(C)c1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)ccc(F)c2F)cc1Cl 28385681 KLYQHTBGQPHNSU-UHFFFAOYSA-N 421.896 5.422 0 1 HKAF O=C(Nc1ccc2ncccc2c1)C(=O)c1cn(Cc2cccs2)c2ccccc12 29407428 ZZJYHQQXYFCXGV-UHFFFAOYSA-N 411.486 5.121 0 1 HKAF CCCc1cc(OC)cc2cc(-c3ccc(-c4cc(C)c(C(=O)O)cc4C)[nH]3)oc12 29472284 HFCLQSOVQQYUQA-UHFFFAOYSA-N 403.478 6.371 0 1 HKAF O=C(O)c1ccc(Cl)cc1-c1ccc2c(c1)OC[C@H](Cc1ccc(F)cc1)[C@H]2O 29479549 TVTQKPUMYOYZPC-OYHNWAKOSA-N 412.844 5.129 0 1 HKAF CC(=O)Nc1nn(C)c2cccc(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)c12 35325026 OHFKUABCVXNBNC-UHFFFAOYSA-N 413.481 5.151 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C)C[C@@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 36189451 PVJNSDNELNARLT-UAOBZHRXSA-N 413.690 6.950 0 1 HKAF Cc1cc(NC(=O)c2ccccc2)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2n1 40880264 ZAQWOPRMDVACJN-UHFFFAOYSA-N 414.440 5.579 0 1 HKAF COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)N1CCCCC1 40895318 MTKHNRGTGUMHAG-OAQYLSRUSA-N 411.343 5.581 0 1 HKAF CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccccc3)c(C(F)(F)F)c2)no1 40897300 KFLDRMRBBBYUCN-UHFFFAOYSA-N 419.403 6.427 0 1 HKAF O=C(NCCCc1ccccc1)[C@H](c1ccccc1)c1ccc(Br)cc1 40918386 ACZAPKHQBWGJHX-JOCHJYFZSA-N 408.339 5.330 0 1 HKAF in-vivo O=C(NCC1CC1)C1CCN([C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 45194867 MYRCENKSOKDGMD-JOCHJYFZSA-N 417.380 5.321 0 1 HKAF CC1=C(c2nc3cccc(C)c3n2C)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 45260870 JTRRROKWMFLJRJ-OAQYLSRUSA-N 424.335 5.831 0 1 HKAF Clc1ccc(-c2nc(N3CCN(c4ccccc4)CC3)c3ccccc3n2)cc1 64453448 HFDQHEACWKPHFK-UHFFFAOYSA-N 400.913 5.277 0 1 HKAF CN1C(=O)[C@@H](Cc2ccccc2)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 66259685 XLUSYSDPFSHJGS-LJQANCHMSA-N 424.422 5.205 0 1 HKAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NCc2ccccc2)nc1-c1ccccc1 82132775 DQBQUQXWKCOFND-GCJKJVERSA-N 400.526 5.064 0 1 HKAF CC[C@@H](C)Cn1c(C2CCCCC2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187300 USUDLDZJKZYFIO-QGZVFWFLSA-N 409.553 5.714 0 1 HKAF Cc1nc2ccc(Cl)cc2c(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c1C 95552262 ZZMRFZSHBPPAOP-UHFFFAOYSA-N 421.972 5.771 0 1 HKAF Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccccc2Cl)s1 95921145 BHSHXBRDUHHNCK-UHFFFAOYSA-N 410.926 5.521 0 1 HKAF in-vitro CCc1sc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC)cc1Br 103873428 AXCGMENXAVDHHH-QGZVFWFLSA-N 410.333 5.054 0 1 HKAF CC[C@H](C)NC(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 105186327 ZSCPAAWATBNPFJ-QTOWHEFOSA-N 420.601 5.463 0 1 HKAF CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2ncsc2c1)c1ccccc1 114595954 MVAQPNJXDLBMSQ-YJFMDEFYSA-N 411.526 6.763 0 1 HKAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3ccc(-c4ccccc4)cc3CC[C@H]21 117623445 AYDIVSRNJATBLH-ZEQKJWHPSA-N 407.517 5.565 0 1 HKAF CC(C)CCC[C@](C)(O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 135663016 JTNSBTTTXGDDMP-RXROTWSNSA-N 418.662 5.763 0 1 HKAF CCc1ccc(-c2nc3ccc(C(=O)NOC)cc3nc2-c2ccc(CC)cc2)cc1 144396788 GPOHIHAQGOSKCM-UHFFFAOYSA-N 411.505 5.380 0 1 HKAF CC(C)(C)NCc1cc(Br)cc(Nc2ccnc3cc(Cl)ccc23)c1 169324855 MUMPPEMFCJJZQT-UHFFFAOYSA-N 418.766 6.282 0 1 HKAF C=CC(=O)Nc1cccc(Nc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)c1 205512214 LTEDLCRFOMFLOT-UHFFFAOYSA-N 423.476 5.386 0 1 HKAF C[C@@H]1C[C@@H](CC(=O)O)CCC12CCN(c1cc(OC(F)(F)F)ccc1Cl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c1c(F)c(F)c2[nH]c(COc3ccc(Cl)cc3Br)nc2c1F 586978285 ZKTXZHMOWSHNCP-UHFFFAOYSA-N 409.564 5.114 0 1 HKAF O=C1c2ccccc2-c2cc(Cc3c(Cl)cccc3Cl)nc3ccc(O)c1c23 586987057 YIGFULHWIOLOJE-UHFFFAOYSA-N 406.268 6.049 0 1 HKAF CC1(C)CC[C@@H]2O[C@@]2(C)[C@@H]1/C=C/c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992238 SGGVFQCVMVVBEL-WXVIJTFOSA-N 411.501 5.759 0 1 HKAF CSc1ccc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 587031030 NSTJLYUBAQZYTE-OXFWXOROSA-N 416.597 5.412 0 1 HKAF N[C@@H](Cc1ccccc1Cl)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587059328 PJLWFIIGVMHPLQ-LBPRGKRZSA-N 418.644 5.240 0 1 HKAF Cc1c(Br)cncc1Cc1cnc2cccc3c2c1-c1ccccc1C3=O 587102519 WRWRXQFCOTVSNP-UHFFFAOYSA-N 415.290 5.503 0 1 HKAF O=C1c2ccccc2-c2cc(/C=C/c3cccc(C(F)(F)F)c3)nc3cccc1c23 587103211 HYWCZTUHGDSHJS-VAWYXSNFSA-N 401.387 6.635 0 1 HKAF Fc1ccc(F)c(SCc2cccc(-c3nc4ccc5ncccc5c4[nH]3)c2)c1 587141428 RPZNWCIIXKZQIL-UHFFFAOYSA-N 403.457 6.349 0 1 HKAF O=C1Oc2ccccc2C(=O)[C@H]1[C@@H](Cc1cc2c3c(cccc3n1)CC2)c1ccccc1 587217722 YPWKJZXSBKRCSN-BKMJKUGQSA-N 419.480 5.078 0 1 HKAF C[C@]1(c2c(F)cc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331243 IXUGDSNOEYSPKI-UGKGYDQZSA-N 402.343 5.223 0 1 HKAF C[C@@]1(c2cc3cccc(O)c3o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351071 HVNGIWVARHCSLY-URXFXBBRSA-N 404.393 5.257 0 1 HKAF CC/C=C/CCOC(=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587363243 PZHQCDZPGUKSKP-SNAWJCMRSA-N 401.462 6.170 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C(=O)OC(C)(C)C)c3ccc(C)cc13)O2 587390774 NYBVFYHWNYXCNQ-OAQYLSRUSA-N 406.482 5.330 0 1 HKAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccc(C(F)(F)F)cc1)CC2=O 587464092 IFTSMARFXXHDJX-GNNUASRNSA-N 419.443 5.300 0 1 HKAF C[C@@]1(c2ccc(Br)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587494907 AYRYKXUKEWICCG-FQEVSTJZSA-N 405.719 5.862 0 1 HKAF O=C1C[C@H](c2ccc3cc(Br)cnc3c2)Oc2c1ccc1c2CCCC1 587499866 VPNJRHMBCMFFED-OAQYLSRUSA-N 408.295 5.583 0 1 HKAF O=C1C[C@H](c2ccccc2OCc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587502517 RWIFIXFUGZKEAP-RUZDIDTESA-N 418.920 6.504 0 1 HKAF Cn1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nc2cc(C(F)(F)F)ccc21 587509427 SHCLRGSQQAAFDR-JOCHJYFZSA-N 414.427 5.352 0 1 HKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1ccccc1)Nc1ccccc12 587521602 CPKOANUDWNUGLU-SQHAQQRYSA-N 409.485 5.162 0 1 HKAF Cc1sc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1cc(Cl)cn1 587531881 NDINLQOSKZXBJG-HXUWFJFHSA-N 412.942 5.540 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(Cl)c2)o1 587542841 AKCURCUKPDQRLQ-QPPBQGQZSA-N 418.832 6.009 0 1 HKAF C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551157 XWPUTCNHSADRBN-NQIIRXRSSA-N 400.352 5.288 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1OC(F)F 587558224 VQTLGTIEJOZUNB-FXAWDEMLSA-N 418.779 5.350 0 1 HKAF C[C@@]1(c2cc3c(ccc4ccccc43)o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619796 ZIGQDRDQCNNVOZ-IGKIAQTJSA-N 422.436 6.169 0 1 HKAF FCc1c(-c2ccccc2Br)[nH]c2c1c(Br)cc1n[nH]cc12 587622450 NHHGVFNJRPQSDW-UHFFFAOYSA-N 423.083 5.706 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3cccc(Br)c3)[nH]c12 587624721 SLFFPEUJDHEMDA-UHFFFAOYSA-N 416.624 6.304 0 1 HKAF Fc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccccc2Br)cc1 587631035 VEVGPOPRZFYPLA-UHFFFAOYSA-N 418.668 7.196 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3Cl)c(C(=O)C(F)(F)F)c2c1 587640242 GNSTYPMMFPQORY-JTQLQIEISA-N 414.254 7.400 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(C(=O)c3cc(C)ccc3O)c2c1 587642829 WJBJPKWMNIJLFY-MRXNPFEDSA-N 417.936 7.247 0 1 HKAF CC(C)Oc1ccc(Cl)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587698531 QLEOSFZKGWGZFK-WYRIXSBYSA-N 412.730 5.652 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3c(F)cccc3F)o2)N1 587723181 WNEJAQYPWYDZJF-FVINQWEUSA-N 422.244 5.750 0 1 HKAF Cc1nc(-c2ccccc2)[nH]c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587792084 OFNQKXVSUPBCPY-QKVFXAPYSA-N 414.322 5.084 0 1 HKAF Cc1ccc(C)c(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587799043 VXECPWANINBYLB-YEJXKQKISA-N 414.322 5.219 0 1 HKAF CCCc1ccc(OCC)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587801576 LTRJPMKODIFTEH-ZSEKCTLFSA-N 406.339 5.563 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2(c3ccccc3)CCCC2)N1 587814169 GKZGZBPKZKDEGI-YCRPNKLZSA-N 402.351 5.850 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)C3CCCC3)cc2)N1 587818517 IIAPNQCMTIQFKZ-LRTDBIEQSA-N 416.334 5.585 0 1 HKAF Cc1ccc([C@]2(c3ccco3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587827274 JFYNXCABXYWQEI-OYHNWAKOSA-N 414.318 5.624 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccccn3)o2)N1 587845462 REHDOOMLLXDKFG-WLRWDXFRSA-N 419.319 5.351 0 1 HKAF CSc1scc2c1[C@@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587852663 MQAPSJQJHHAJOK-YPMLDQLKSA-N 412.393 5.486 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncnc2scc(C)c12 587866988 OYRQXODENASSKD-UHFFFAOYSA-N 404.417 5.270 0 1 HKAF COc1ccc([C@H](c2ccccc2)c2nc3cc(Br)cc(F)c3[nH]2)cc1 587936732 LTYLMMRSUSOVBZ-IBGZPJMESA-N 411.274 5.653 0 1 HKAF COc1c(Cc2cccc3ccccc23)cc(O)n1-c1ccnc(Br)c1 587939794 JLKGAZVQQZEKDG-UHFFFAOYSA-N 409.283 5.093 0 1 HKAF CCC[C@@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C(C)C 587956194 ZPUFARJODFQXDK-MRXNPFEDSA-N 401.348 6.444 0 1 HKAF CC(C)n1c([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)nc2ccccc21 962630778 KQPAJTZKLVDYSP-KCWPFWIISA-N 422.576 5.454 0 1 HKAF C[C@H]1C[C@H]1C(=O)Nc1cccc(Cc2ccc3c(/C=C/c4ccccc4)[nH]nc3c2)c1 1772582962 RKXUOKDOGXXEAF-PGCWRHLGSA-N 407.517 5.919 0 1 HKAF Oc1cc2ccc1Oc1ccc(cc1)CCc1cccc(O)c1Oc1cccc(c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c4cc(O)cc(Cc5ccccc5)c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c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215192 MNWFCGYYUOPBCQ-ZQAWKMMESA-N 416.606 5.347 0 1 HKAF O=C(O)CCCn1c(C(=O)O)cc2cc(OCc3c(Cl)cccc3Cl)ccc21 12341130 NPVVQUKWAHENAH-UHFFFAOYSA-N 422.264 5.090 0 1 HKAF CC(C)c1ccc(O[C@](C)(CNSC(F)(F)F)Cc2ccc(Cl)cc2)cc1 13604890 SBDSAEQPTHHXDG-IBGZPJMESA-N 417.924 6.601 0 1 HKAF O[C@@H]1C=CC[C@@](O)(CCCCCCCCCCC/C=C\CCCc2ccccc2)C1 14651929 PWMTUNFJUOXOCX-HCZZCBLYSA-N 412.658 7.299 0 1 HKAF O=C(O)CCC/C=C/C[C@H]1[C@H](COCc2ccccc2)[C@H]2C[C@]1(c1ccccc1)CO2 26011013 ZREITZXFTXLALN-NNIYRQAYSA-N 420.549 5.377 0 1 HKAF CC(C)(Cc1c[nH]c2ccccc12)NC[C@H](O)COc1ccccc1-c1ccccc1 26731303 DSEONVLATAFVMZ-QFIPXVFZSA-N 414.549 5.186 0 1 HKAF Cc1cc2oc(Cc3cccc(Cl)c3)nc2c(NCC(F)(F)c2ccccn2)n1 28526265 PIAZOALCQHNNTA-UHFFFAOYSA-N 414.843 5.374 0 1 HKAF CCc1ccc(-c2nc(CCOc3ccc4c(c3)CC[C@H]4CC(=O)O)c(CC)o2)cc1 28952017 RHDZLNFGUWJPTD-FQEVSTJZSA-N 419.521 5.592 0 1 HKAF CCOC[C@H](Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC)c1ccccc1 28956238 ZYVUTMAUPHRUIF-NRFANRHFSA-N 406.530 5.287 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N[C@H](CC(C)C)C(=O)O)C(C)(C)CCC1 29565302 XILISIALPJYAMY-MLOROAELSA-N 413.602 6.134 0 1 HKAF Cc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1)C1CC1 40411221 OEABSMDTNIYIHE-AREMUKBSSA-N 410.492 6.230 0 1 HKAF Fc1ccc(-c2noc(C[C@@H]3CCN(c4cnc5ccccc5c4)C3)n2)c(Cl)c1 40918525 AEKOYIYPZKHXPB-AWEZNQCLSA-N 408.864 5.146 0 1 HKAF Clc1ccc2c(NCCCN(CCc3ccccc3)Cc3ncc[nH]3)ccnc2c1 43015804 HGVSJCXWXFCOGR-UHFFFAOYSA-N 419.960 5.158 0 1 HKAF Cc1cccc(-c2nc(NCc3ccccc3F)ncc2-c2nc(C)c(C)s2)c1 82173770 ONFHNJWHRKXKGF-UHFFFAOYSA-N 404.514 5.944 0 1 HKAF O=C(Nc1ccc(F)cc1F)Nc1cccnc1Oc1cccc(C(F)(F)F)c1 95590872 VIDGUWYBKZWBHV-UHFFFAOYSA-N 409.314 5.815 0 1 HKAF COc1ccc([C@H]2OC3=C(C=C2C)C(=O)O[C@H](c2ccc(C(F)(F)F)cc2)C3)cc1 96934094 LAOLJFHZFJPPHW-FPOVZHCZSA-N 416.395 5.674 0 1 HKAF OC1(c2cccc(Cl)c2Cl)C[C@H]2CC[C@H](C1)N2Cc1csc2ccccc12 101185303 MTASNPVDMSIQLV-HZPDHXFCSA-N 418.389 6.223 0 1 HKAF C[C@@H]1CCC([C@H](C)[C@H]2CC[C@H]3[C@@H]4CC(=O)[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)=NC1 118917260 QAGPPGDCPAPQLW-IBTDGONDSA-N 413.646 5.692 0 1 HKAF C[C@@H](c1ccc(F)cc1)N(Cc1cccc(C(=O)O)c1)C(=O)C1Cc2ccccc2C1 149942798 WYPIGEDMZXBYSD-KRWDZBQOSA-N 417.480 5.029 0 1 HKAF CC[C@@](C)(O)c1oc(=O)c2ccccc2c1-c1ccc(OC)c(OC2CCCC2)c1 168240131 SVNNQGRMRMDZKK-RUZDIDTESA-N 408.494 5.408 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@@H]1c1ccc(C2CCCCC2)cc1 169728416 KVLRGEGJGCSVSZ-RPWUZVMVSA-N 407.554 5.725 0 1 HKAF Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc3ccn(C)c3c2)n1 205824680 MBEJJOXAALUMEZ-QGZVFWFLSA-N 422.536 5.517 0 1 HKAF CC(C)=CCc1c(CCC(=O)c2ccc(O)cc2O)cc2c(c1O)OC(C)(C)C=C2 238785793 OAIDICUAQOSNAW-UHFFFAOYSA-N 408.494 5.312 0 1 HKAF C[C@@H]1[C@H](c2ccc(O)c([C@H](C)Cc3ccc(O)cc3)c2)O[C@H](c2ccc(O)cc2)[C@@H]1C 238787229 TWPBAUQJGYNNLT-XBNZRZBRSA-N 418.533 6.234 0 1 HKAF FC(F)(F)c1ccc2c(c1)nc(C(F)(F)F)n2C[C@@H]1CCCN2CCCC[C@H]12 299825313 BWVZVKXVFZQYJS-SWLSCSKDSA-N 405.386 5.338 0 1 HKAF O=C(Nc1cc2ncncc2cc1OCc1ccccc1)Nc1cccc2ccccc12 299831249 IFLMRQGMLYOFKL-UHFFFAOYSA-N 420.472 6.006 0 1 HKAF C[C@H]1[C@@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)C4=CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 299850311 QCVKYDNFSXDPSW-LISGIKNQSA-N 414.630 5.714 0 1 HKAF CCSc1nc(Nc2cccc(O)c2)c2cnn(C[C@@H](C)c3ccccc3)c2n1 299856792 CCXWTKZSYDAQLZ-OAHLLOKOSA-N 405.527 5.191 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4[C@H](C)[C@H](O)CC[C@@]4(C)C3=CC[C@]12C 503932934 ORLULZQEXHRVDY-RQRABGPCSA-N 412.702 7.945 0 1 HKAF biogenic CCOc1cc(/C=C/c2nc3ccc(C(C)=O)cc3[nH]2)cc(Br)c1OC 586977425 GMXGJDPCZSORKY-VMPITWQZSA-N 415.287 5.106 0 1 HKAF Cc1c(Cl)ccc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c12 586982357 KFXFRYNWACHJHP-HNNXBMFYSA-N 405.767 6.660 0 1 HKAF Cc1ccc2c3c(cc(-c4cccc(Br)c4F)nc13)-c1ccccc1C2=O 586995593 MTPDNJABLXWFQG-UHFFFAOYSA-N 418.265 6.323 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cccc(Br)c2[nH]1 587014881 SHYMFYVFKOZVOS-UHFFFAOYSA-N 404.720 6.078 0 1 HKAF Clc1cccc(COc2ccc(-c3nc4c(Cl)cc(Cl)cc4[nH]3)cc2)c1 587070825 HXQZAFNNCUSRIZ-UHFFFAOYSA-N 403.696 6.769 0 1 HKAF COc1cc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1C 587072805 XKUFATACZJVXQA-PVAVNJFHSA-N 401.337 6.553 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1F 587150626 MRCLDFKHLYUHTI-LJQANCHMSA-N 420.337 5.908 0 1 HKAF COc1cccc(-c2cc(F)cc(-c3nc4cc(Br)c(C)nc4[nH]3)c2)c1 587160262 OIBBMUUODVARBX-UHFFFAOYSA-N 412.262 5.511 0 1 HKAF CC(C)Oc1cc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c2cc1Br 587174036 CRCRPSPNEOPWIC-UHFFFAOYSA-N 402.267 5.324 0 1 HKAF COc1ccc(C)cc1NCCCc1nc2cc(Br)cc(Cl)c2[nH]1 587228118 ISHVLGBXYOXQQC-UHFFFAOYSA-N 408.727 5.341 0 1 HKAF CCCC[C@@]1(c2ncccc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342059 YLFUQNMVMXQXPG-RCZVLFRGSA-N 405.469 5.679 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C2CCCCC2)[C@@H]1c1ccc(F)cc1 587350791 FHZIMZGPYSVPDG-XNMGPUDCSA-N 416.492 6.366 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 587353306 OPQQJNODYHFQMW-RAHIQWLESA-N 416.492 6.377 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ccc(Br)cc3)cc1)O2 587372217 ONKIAUPWALAUEL-OAQYLSRUSA-N 424.294 5.839 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc(Cc3ccc(Cl)cc3)nc1C)O2 587415252 ZBPKXHCPVQPZKE-JOCHJYFZSA-N 412.942 5.467 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(F)cc3)cc1)CC2=O 587469725 CDQUBRCHBRPIBC-DEOSSOPVSA-N 406.453 5.769 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(C=C(c3ccccc3)Oc3ccc(O)cc31)CC2=O 587492613 RIGMCLNDLLTEEM-SANMLTNESA-N 414.457 5.345 0 1 HKAF O=C1C[C@H](c2ccc(OC(F)F)c(Br)c2)Oc2c1ccc1c2CCCC1 587508984 UYMTYGNEXYFYGX-GOSISDBHSA-N 423.253 5.636 0 1 HKAF CC[C@@]1(c2c(F)ccc(F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557803 OOINJPGUSGKOCK-AVRDEDQJSA-N 400.352 5.077 0 1 HKAF CCOC(OCC)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587590665 ACLBNNNXPMELIU-XUZZJYLKSA-N 420.461 5.167 0 1 HKAF CC(C)(C)[C@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602182 XDDSYBCNLMOOFI-WNCULLNHSA-N 414.501 5.784 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2nccs2)c1 587619866 VDTTXSQGLDGMAP-UGKGYDQZSA-N 401.443 5.219 0 1 HKAF COC(=O)c1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C)cn1C 587627604 FHAOAMZUFJGFOQ-UHFFFAOYSA-N 404.310 5.306 0 1 HKAF O=C(O)c1cccc2c(CCc3ccc(Br)cc3)c(-c3ccccc3)[nH]c12 587638599 OHYJMDYWFOENTC-UHFFFAOYSA-N 420.306 6.081 0 1 HKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1c(Cl)cc(F)cc1Cl 587658526 NXTMNDWAMMYOSJ-UHFFFAOYSA-N 403.215 5.638 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(Br)c2)N1 587683319 WOZFHPJGSFLLDP-QGHHPUGFSA-N 413.128 5.148 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc(Cl)c2Cl)N1 587691083 BRJAUVHGGYUDJZ-QZTNRIJFSA-N 423.540 6.172 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(Br)c2)N1 587732930 OPUGVWHRXCONCB-BCTVWOGZSA-N 417.091 5.113 0 1 HKAF Cc1ccc(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587794276 LQBYAZMAPRMSIC-ASSNKEHSSA-N 414.322 5.219 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)C3CCCC3)cc2)N1 587817638 DCQRBSNQXHWLAN-LRTDBIEQSA-N 416.334 5.585 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1ccccc1F 587864714 JSBRLIDDYUNJEU-UHFFFAOYSA-N 424.419 5.539 0 1 HKAF CN(c1ccc(-c2csc(-c3ccc(C(C)(C)C)cc3)n2)cc1)S(C)(=O)=O 587923627 BDKSIMCWPVLLEV-UHFFFAOYSA-N 400.569 5.170 0 1 HKAF COc1ccc(C[C@@H](C)c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1OC 587926211 KPOLJYUIHYUZSS-MRXNPFEDSA-N 400.478 5.157 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c([C@H](CC)O[C@H]3CCC[C@@H](C)C3)nc2c1 587951413 UUCGGINQRQQAPN-IFIJOSMWSA-N 423.351 5.549 0 1 HKAF CCCCCOc1cc2nc(/C=C(/C)C3CCCCC3)[nH]c2cc1Br 587969513 YOPWXGJHIRRDBP-QINSGFPZSA-N 405.380 6.878 0 1 HKAF COc1ccc(C2=NN(c3ccc(-c4ccccc4)nn3)[C@H](c3ccccc3)C2)cc1 653711577 TYNKLJHPGJNJEK-VWLOTQADSA-N 406.489 5.508 0 1 HKAF Cc1c(F)ccc2c1[C@@](C[C@@H]1OC(=O)c3ccccc31)(c1ccc(Cl)cc1)NCC2 962148253 SHOCRFCDURVSKM-WIOPSUGQSA-N 421.899 5.479 0 1 HKAF FC(F)(F)c1cccc2c1[C@H](c1cc(Cl)cc3c1OCC3)NCC21CCOCC1 962953169 IARIOGCCDZWMKA-IBGZPJMESA-N 423.862 5.035 0 1 HKAF CN1CCc2c(Br)cccc2[C@@]1(Cc1ccccc1Cl)[C@H]1CCOC1 963288406 AGLAJOHGTFUJDT-HRAATJIYSA-N 420.778 5.065 0 1 HKAF COc1ccc(Nc2ncnc3c2[C@H](c2ccc(Cl)cc2)c2c(n[nH]c2C)O3)cc1 1772645979 DEDRMINSRYNLIA-GOSISDBHSA-N 419.872 5.200 0 1 HKAF Cc1cccc(-c2cc(-c3cc4ccccc4oc3=O)nc(Cc3ccc(F)cc3)n2)c1 1857549429 DWEDJPXQUIUWTK-UHFFFAOYSA-N 422.459 5.955 0 1 HKAF COC1=CC(c2ccc(OC)c(OC)c2)=NC1=CC=C1N(C)c2ccccc2C1(C)C 1857590360 CSJWZFDCJMNDSN-UHFFFAOYSA-N 416.521 5.232 0 1 HKAF CCCCCc1cc(O)c2c(c1)O[C@@](C)(CCCC(C)(C)c1ccc(C)cc1)CC2 1857767424 HVACNJHBAXOENX-NDEPHWFRSA-N 408.626 7.665 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C 2356347846 OSPYNJYSTBNWEX-CKUKSJRJSA-N 402.707 7.859 0 1 HKAF CCCC[C@@H](O)CC(C)=C(C)CCC(=O)CCCCC[C@H](O)CC1CCCCC1 2356440393 ZOVJIBYKNFUISD-FTJBHMTQSA-N 408.667 6.895 0 1 HKAF CC(=CC=Cc1cocc1Cc1ccoc1)CCC[C@H](C)C=C1OC(=O)C(C)=C1O 2356633069 NNOKCWHYNAURHD-SFHVURJKSA-N 408.494 6.502 0 1 HKAF CC[C@@H](C=C(C)C)C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C=C[C@@]21C 2356733013 OFSJHZVDJCTSNW-ZDUJNYJPSA-N 412.702 7.801 0 1 HKAF CCCCc1ccc(CCc2ccc(O)c(OC[C@H](O)c3cc(C(C)C)c[nH]3)c2)o1 2356761880 KHYGFFPSTJHMTN-DEOSSOPVSA-N 411.542 5.677 0 1 HKAF Cc1ccc(S[C@H](c2ccccc2)[C@H](Cn2cncn2)C(=O)c2ccccc2)cc1 630018 GDETUBNMIJXRHY-ILBGXUMGSA-N 413.546 5.619 0 3 HKAF aggregator Cc1ccc(Cc2c(-c3ccc(C)cc3)nc3c(Cl)cc(C(F)(F)F)cn23)cc1 72136234 DOQFBPDUMHRIFR-UHFFFAOYSA-N 414.858 6.881 0 3 HKAF C[C@H]1CCc2sc(NC(=O)c3sc4ccccc4c3Cl)c(C(N)=O)c2C1 2485201 LTUVIRGBFIUAFB-VIFPVBQESA-N 404.944 5.092 0 1 HKAF CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)Cn1c(-c2ccccc2)[n+](C)c2ccccc21 12524095 XKNDOQYVKIKTTR-PTLVVNQVSA-N 405.562 5.137 0 1 HKAF CO[P@](=O)(c1ccccc1)N1CCCC(c2ccc(Cl)c(C(F)(F)F)c2)=N1 13557134 SQEKRTJZLQQPOM-HHHXNRCGSA-N 416.767 5.324 0 1 HKAF CC[C@@](OCCCc1ccccc1)(C(=O)NCCCc1ccccc1)c1ccccc1 13586445 VMGOPYGPNOSTAJ-NDEPHWFRSA-N 415.577 5.690 0 1 HKAF Cc1ccc2nc(C)cc(OCc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)c2c1 13728666 DJHYAKMFKDRSGV-UHFFFAOYSA-N 407.477 5.278 0 1 HKAF CC[C@H](C)N([C@H](C)CC)S(=O)(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C 13747399 XYIOCAJWRXXRJX-CALCHBBNSA-N 411.612 5.199 0 1 HKAF CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccccc1OC 13831897 OHJRBSMXVYEVDG-QGOAFFKASA-N 410.539 5.055 0 1 HKAF CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc4c(c3O2)C=CC(C)(C)O4)ccc1O 15205873 HLKHOVQEAJNZDM-NRFANRHFSA-N 406.478 5.497 0 1 HKAF biogenic C1=C(c2ccccc2)[C@H](c2ccccc2OCCN2CCCCC2)Oc2ccccc21 26960550 NNPKCCODSGDVPR-NDEPHWFRSA-N 411.545 6.226 0 1 HKAF CC(=O)N1c2ccccc2S[C@@H]1c1ccccc1OCCCN(C)C1CCCCC1 28009895 XBIKZDSHFQGUMQ-RUZDIDTESA-N 424.610 5.877 0 1 HKAF C[C@@]1(C[C@@](O)(CNc2cccc3cnccc23)C(F)(F)F)CCCc2ccccc21 28826245 AEYUJQIHDRFOMU-XZOQPEGZSA-N 414.471 5.624 0 1 HKAF CCC1=C(c2ccc(O)cc2)c2ccc(OCCN(C)C)cc2CCc2ccccc21 33889722 ZDROAKFIIGQBAK-UHFFFAOYSA-N 413.561 5.800 0 1 HKAF COC1=C(C)C(=O)O/C1=C\[C@@H](C)CCC/C(C)=C/CC/C(C)=C/CCc1ccoc1 34215642 BIHGKHBYUFVWCB-MSWNYABDSA-N 412.570 7.053 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4C=C(CO)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 36152865 ACLUPLRKEIYGOI-QXISNKTOSA-N 413.646 5.739 0 1 HKAF O=C(CCc1c[nH]cn1)Nc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)cc1 45211217 TUODOPSIMBOWKO-UHFFFAOYSA-N 407.477 5.191 0 1 HKAF Cc1ccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccc(F)cc3)n2)cc1 82165140 XKYCMELNJYUADQ-UHFFFAOYSA-N 402.473 5.518 0 1 HKAF CC(=O)c1c(Nc2cc(Cl)ccc2Cl)nc2c(Cl)ccc(Cl)c2c1O 84605170 YFUYESBVTVDXBX-UHFFFAOYSA-N 416.091 6.500 0 1 HKAF COc1ccc(C(=O)N(CC[C@@H]2CCCN2C)C/C(C)=C/c2ccccc2)cc1C 84634089 CPZSKEGXALNXOX-ARHOYUFESA-N 406.570 5.034 0 1 HKAF CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(Nc3ccncc3)cc2)cc1 84706985 QHHZUROITBTTRC-UHFFFAOYSA-N 404.539 5.250 0 1 HKAF CCCP(=O)(CCC)c1ccc(Nc2nc(C(C)C)nc3c2ncn3CC)cc1 84729457 IIUGERPRLAWKBU-UHFFFAOYSA-N 413.506 5.522 0 1 HKAF COc1cccc(C(=O)Nc2cccc(Nc3ccc4c(c3)CCCCC4=O)c2)c1 95575667 RVYAJHLIZDWNSH-UHFFFAOYSA-N 400.478 5.600 0 1 HKAF Cc1cc(F)ccc1-c1cccc([C@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 96269867 IBAZWTZRABBVLO-MZNJEOGPSA-N 420.436 5.264 0 1 HKAF CC[C@](OCCCc1ccccc1)(C(=O)CCCCc1ccccc1)c1ccccc1 103229533 PFDNVJAYTKVMGA-GDLZYMKVSA-N 414.589 6.923 0 1 HKAF O=C(O)COc1cc2c(c(Cl)c1Cl)C(=O)[C@]1(c3ccccc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endogenous,in-man COc1ccc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)c1OC 586993247 VWWVXGSQNNLQOE-UHFFFAOYSA-N 411.457 5.068 0 1 HKAF CCc1ccc(NC(=O)Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 586997565 SQTBPXFWBDSOTP-UHFFFAOYSA-N 406.485 5.498 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587068693 BRDNXRQYGUXNCM-GZXATSTBSA-N 408.720 5.043 0 1 HKAF Cc1cc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587125228 OUKAMJKBYXYILH-UHFFFAOYSA-N 424.231 5.107 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1F 587150146 KVIWHPSQCPNYOU-KRWDZBQOSA-N 406.219 5.711 0 1 HKAF Cc1cc(Br)c2[nH]c(/C(=C\c3ccc(F)cc3)c3cccs3)nc2c1 587163781 KYSNTDZLPMBAIO-PTNGSMBKSA-N 413.315 6.423 0 1 HKAF C[C@]1(c2c(F)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334646 PFSAOLVQKLFLQT-UGKGYDQZSA-N 400.808 5.598 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCc3cc4ccccc4cc32)[C@H]1c1ccc(F)cc1 587350502 HWXOXERXUGIKTO-AHKZPQOWSA-N 410.444 5.885 0 1 HKAF CC(C)(C)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354177 NJSIVHQEIILCKJ-JYFHCDHNSA-N 404.481 6.222 0 1 HKAF COc1cccc(-c2c(C)c(-c3ccc(Cl)c(N)c3)nc3c2oc2ccccc23)c1 587358709 SVOZBYVKXPZQOE-UHFFFAOYSA-N 414.892 6.868 0 1 HKAF COc1cccc(-c2cc(-c3c(F)ccc(Cl)c3F)nc3c2oc2ccccc23)c1 587359760 HMLJQXQLLCDDAV-UHFFFAOYSA-N 421.830 7.255 0 1 HKAF CCc1c(-c2ccc(OC)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587362974 NRBLIYZCZFBBSZ-UHFFFAOYSA-N 409.485 6.895 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(C(=O)O)cc2C3)c1 587365489 HWSZQYOLHDVFJP-UHFFFAOYSA-N 407.425 5.926 0 1 HKAF CCc1cc(CC)c2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)c1ccccc1S2 587412934 FGINAASENFTQHM-SANMLTNESA-N 415.558 6.076 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1nc3ccccc3s1)(c1ccccc1)O2 587415746 WMYDRUFDUHBFLM-DEOSSOPVSA-N 400.503 5.290 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc(Br)c4)cc1)[C@@H](C2)C3=O 587416613 DMBQRAXLKOCMRM-CVDCTZTESA-N 421.290 5.613 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1OCc1cccc(F)c1)[C@@H](C2)C3=O 587428315 MCCJCBNUOMUHBG-YADARESESA-N 424.855 5.555 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3cccc(F)c3)cc1)CC2=O 587467283 QIDMQZNTLBJLBR-DEOSSOPVSA-N 406.453 5.769 0 1 HKAF O=C(O)c1ccc(-c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587506090 OWSSVFYSLMPFCX-XMMPIXPASA-N 416.448 5.776 0 1 HKAF C[C@@]1(c2ccc(-c3ccc(Cl)cc3)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587531138 JWCLBNBFBQXULH-DEOSSOPVSA-N 408.950 6.828 0 1 HKAF Cc1ccc(Cl)c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nc12 587551868 KRCWICPACNZVSR-YKSBVNFPSA-N 417.848 5.605 0 1 HKAF CCCOc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 587595238 KKKQXEPXPMAUGZ-BVAGGSTKSA-N 416.473 5.373 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(CSc3cc(C)ccc3C)c(-c3ccccc3F)c2c1 587641938 KXQYTVAWXSRVAU-GOSISDBHSA-N 417.593 8.397 0 1 HKAF O=C(c1cc2sccc2s1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656625 HOSOFBBUNJBIEL-UHFFFAOYSA-N 424.453 5.306 0 1 HKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc(Cl)c(Cl)cc1Cl 587656711 JTIGLHGVCLYCBR-UHFFFAOYSA-N 420.658 5.547 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3ccnc3)cc2Cl)N1 587699369 XASXCYJRYFKGEI-WLRWDXFRSA-N 420.713 5.051 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(Cl)cc2Cl)N1 587713875 DFNYCPZAYUESAR-VGDKGRGNSA-N 407.085 5.658 0 1 HKAF Cc1ccc(OC(F)F)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587720376 STUUMAJANCAMHU-QGHHPUGFSA-N 400.238 5.122 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(F)cc3)cc2)N1 587729716 DBHYQECYXCSIIH-XMHCIUCPSA-N 414.293 6.018 0 1 HKAF COc1cccc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587758314 WOXSCAWGIUMMHC-LRTDBIEQSA-N 415.306 5.011 0 1 HKAF CC(C)COc1cc2nc(COC/C=C\c3ccccc3)[nH]c2cc1Br 587780924 MCGBSXJFRJHHCH-TWGQIWQCSA-N 415.331 5.590 0 1 HKAF CCCOc1ccc(CC)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587798467 YCHFMUHYRRAUNG-ZSEKCTLFSA-N 406.339 5.563 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCOc3cc4c(cc32)CCC4)N1 587836450 UVPBFLDBJDABMJ-XMHCIUCPSA-N 416.334 5.027 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(C3CCCCC3)s2)N1 587853861 OHMZYESRRPGXPG-BBATYDOGSA-N 409.368 5.716 0 1 HKAF Cc1cccc(-c2nc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cs2)c1 587854288 SMRSEEGYJPWXMW-HXPMCKFVSA-N 417.347 5.644 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1C[C@@H]1c1ccc(C)cc1 587865509 AKCLFHOJCBBRBI-RTBURBONSA-N 414.427 5.720 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3cnn4cccnc34)n2)cc1 587922896 HSBOUUAZSWIPLL-UHFFFAOYSA-N 411.465 5.807 0 1 HKAF CCCCc1ccc(-n2c(OCC)cc(C(C)=O)c2OCC)c(Br)c1 587937364 QNFUNQWDWGSEAB-UHFFFAOYSA-N 408.336 5.582 0 1 HKAF Cc1ccc(Nc2nc(Nc3cccc(C)c3)cc(Oc3c(C)cc(C)cc3C)n2)cc1 653737370 FSZZXYJQCZCKFR-UHFFFAOYSA-N 424.548 7.298 0 1 HKAF CC(C)[C@]1(c2cc(F)ccc2F)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962629358 JSTKADXHGJZSJD-YIXXDRMTSA-N 418.531 5.611 0 1 HKAF CCOC(=O)[C@@]1(c2ccc(C)c3ccccc23)NCCc2c(Cl)cc(Cl)cc21 963110233 MTLTUIYXTDKCPX-QHCPKHFHSA-N 414.332 5.407 0 1 HKAF Fc1cccc2c1[C@](c1ccccc1CN1CC=CC1)(C1CCCC1)N1CCC[C@H]1C2 963110501 VMLBRJGJDDTITJ-RBJSKKJNSA-N 416.584 5.652 0 1 HKAF COc1ccccc1[C@@]1(CCc2cccc(Cl)c2)NCCc2c(C(=O)O)cccc21 963129929 HAKDEFYKFUHRQQ-VWLOTQADSA-N 421.924 5.069 0 1 HKAF CCCN1[C@H](c2cccc(OC)c2OCc2ccccc2C)c2ccccc2C[C@H]1C 963244907 XUBRGQGJTMOALX-ZBLYBZFDSA-N 415.577 6.329 0 1 HKAF COc1cc(F)ccc1-c1cc(Cl)cc([C@H](CC(=O)O)c2ncc(C)s2)c1 1772574391 FQYFCLMUERUPCY-KRWDZBQOSA-N 405.878 5.526 0 1 HKAF Cc1cc(CNc2cccc(OC(C)(C)C(=O)O)c2)ccc1OCc1ccc(F)cc1 1857603973 BLWYNXRQWCMOPF-UHFFFAOYSA-N 423.484 5.567 0 1 HKAF Cc1[nH]nc2c1[C@H](c1ccc(-c3ccccc3)cc1)c1c(nc3c(c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c1nc2ccccc2[nH]1)n1c(-c2ccc3ccccc3c2)nc2ccccc21 95569147 XWROLVNDCOXFLO-DEOSSOPVSA-N 402.501 6.732 0 3 HKAF C[C@H]1[C@@H]2[C@H](C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 263590871 WQLVFSAGQJTQCK-RDVXUICTSA-N 414.630 5.714 0 3 HKAF Brc1ccc(Nn2c(-c3ccccc3)nc3c2[C@@H]2C=CC=C[C@H]2C=N3)cc1 1324023 RBIAMFBUQSNWDH-QFBILLFUSA-N 417.310 5.730 0 1 HKAF CC[C@@H](C)Sc1nc(SC2CCCCC2)nc(Cc2cccc(C)c2)c1C 6411843 QPVNNWGBWUHJLN-QGZVFWFLSA-N 400.657 7.000 0 1 HKAF COc1c(Cl)cc(C2=C(c3ccc(S(N)(=O)=O)cc3)CC3(CC3)C2)cc1Cl 13745550 MBABADMQCLGYMQ-UHFFFAOYSA-N 424.349 5.134 0 1 HKAF Cc1cccc(OCCCn2cnc(-c3ccccc3)c2)c1NC(=O)NCC(C)(C)C 13827840 HKJABPRCUTTYMD-UHFFFAOYSA-N 420.557 5.495 0 1 HKAF CC1(C)CCc2cc([C@@H]3CC(=O)c4c(cc5c(c4O)CCC(C)(C)O5)O3)ccc2O1 14637368 QSAGUVMYNHRPAW-IBGZPJMESA-N 408.494 5.306 0 1 HKAF biogenic COc1cc2c(c(O)c1C/C=C(/C)CCC=C(C)C)C(=O)N(CCc1ccccc1)C2 15273805 ULSKNVPXNYBAQZ-MOSHPQCFSA-N 419.565 5.835 0 1 HKAF endogenous,in-man O=C(O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)c(Cl)c1 26576600 RXVAGIFYCBJERN-UHFFFAOYSA-N 415.198 5.492 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)C=Cc2cc(O)c(C)c(C)c2O1 27622682 XDOQSVUZAUXCJG-UXRPBPJUSA-N 408.626 8.373 0 1 HKAF COc1ccc([C@@H]2[C@@H](CCOc3ccc(F)cc3)C(=O)N2c2ccc(OC)cc2)cc1 28259969 DFIHGYODMHPKRB-DNQXCXABSA-N 421.468 5.016 0 1 HKAF C/C=C/[C@H]1OC2(CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O[C@@H]1/C=C/C 28524470 GBMRMFBARKDYCH-NWRURMIOSA-N 406.501 5.384 0 1 HKAF COc1ccc([C@H](CNC(=O)Nc2cccc3cnccc23)Cc2ccccc2)cc1 28958830 UDJRVNBUDHBZTF-QFIPXVFZSA-N 411.505 5.391 0 1 HKAF Cc1cc2[nH]c(C(=O)NC3CCCCC3)c(CCc3ccccc3)c2cc1C(=O)O 29127600 VXYAOAKGBVXRKX-UHFFFAOYSA-N 404.510 5.022 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccc(OC)cc2)cc1)C3 29570934 AMHYXJZDPUGVJV-XYJBHJTKSA-N 417.549 5.039 0 1 HKAF C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)[C@@H](O)CCC(C)C 33820669 OCHNORYGWPYCAK-NIRSYVJSSA-N 400.647 6.590 0 1 HKAF COc1ccc(Cc2cc([C@H]3[C@@H](c4ccc(Cl)cc4)C[C@@H]4CC[C@H]3N4C)on2)cc1 40423652 XSHISTSQXDXEMK-QSHYMPABSA-N 422.956 5.661 0 1 HKAF CC(C)(C)CCN1CCC(CNC(=O)C2(c3ccc(F)cc3)CCCCC2)CC1 40956388 MAMUSVZGQPEVAS-UHFFFAOYSA-N 402.598 5.292 0 1 HKAF Cc1ccc2ccccc2c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 59570263 KNSQGETUHCUBIQ-JOCHJYFZSA-N 424.496 6.345 0 1 HKAF Cc1ccc(-c2ccc3c(c2)[C@H](N2CCN(C)CC2)Cc2ccccc2S3)s1 64549167 JLCDZKSQUUANJO-OAQYLSRUSA-N 406.620 5.719 0 1 HKAF CCc1cnc(-c2cnc(NCc3ccccc3F)nc2-c2ccccc2C)s1 82177621 PBEJLTSHBXTGBV-UHFFFAOYSA-N 404.514 5.889 0 1 HKAF CCOP(=O)(OCC)[C@@H](Cc1cccc(Cl)c1)c1sc2ccccc2c1C 84616176 VYCSXGOXFKKRTJ-IBGZPJMESA-N 422.914 7.413 0 1 HKAF CC1=C2C3=CC[C@@H]4[C@](C)(CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]3(C)CC[C@@]2(C)CC[C@H]1C 85977722 LGVXVLHBYPSFGC-WLGAXFCRSA-N 424.713 8.089 0 1 HKAF in-man Fc1ccc(N2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)cc1Cl 95573729 QRSZQSISRZEIBP-UHFFFAOYSA-N 418.903 5.416 0 1 HKAF O=C(O)c1cc(-c2ccc(Oc3ccc4c(c3)OCO4)cc2)nc2ccc(F)cc12 96927274 GWVGXCANEBCQSN-UHFFFAOYSA-N 403.365 5.260 0 1 HKAF CC(C)NC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 167160619 PWKQDQWTTLIJJU-JLHYYAGUSA-N 414.534 5.418 0 1 HKAF CCN(CC)CCC[C@@H](C)/N=c1\cc(-c2ccc(F)cc2)sc2ccc(F)cc12 169316892 BNZIKFZDSHPHKG-QNAXDZHFSA-N 414.565 6.258 0 1 HKAF CCC(CC)(c1ccc2ncsc2c1)c1c[nH]c2c(NS(C)(=O)=O)cccc12 202435169 VEDMXEFWUSKMSY-UHFFFAOYSA-N 413.568 5.255 0 1 HKAF Cc1ccccc1CCN1CCCC[C@]12CCc1cc(-c3ccccc3)ccc1C2=O 207874248 PHGQNEIONCWNSA-GDLZYMKVSA-N 409.573 6.258 0 1 HKAF C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@@]5(C)[C@H]4CC[C@]32C)O[C@]12CC[C@@H](C)CN2 255224285 KWVISVAMQJWJSZ-CRTNBRGHSA-N 413.646 5.287 0 1 HKAF C[C@H]1CCC([C@@H](C)[C@@H]2[C@H](O)C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)=NC1 257455828 JMSRDKIFVZVAMX-OVURKDOPSA-N 413.646 5.404 0 1 HKAF CC(C)NC(=O)Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586988950 UDYFSQPLFZFUMS-UHFFFAOYSA-N 423.472 5.349 0 1 HKAF Cc1cc(C)cc(NC(=O)Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 586995079 DVKCKZNAUWRUDF-UHFFFAOYSA-N 406.485 5.553 0 1 HKAF CCc1ccc(-c2nc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)cs2)cc1 587015779 KTMRTSZPMZRDTF-UHFFFAOYSA-N 420.282 5.957 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5nc(Cl)c[nH]c-5n4)c23)cc1 587038220 NIWLJASBWASDSN-UHFFFAOYSA-N 424.942 5.230 0 1 HKAF CSc1ccc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 587070792 HXAPEMIQZMRMEZ-WTAPAWHGSA-N 403.378 6.958 0 1 HKAF Cc1c(Cl)ccc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 587072470 QQRZRQJFNOTBHW-PFGLPNFXSA-N 405.756 7.198 0 1 HKAF Cc1c(Br)cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1C 587075655 GMDVBCSPBQYJNW-INIZCTEOSA-N 404.695 5.213 0 1 HKAF C[C@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1ccccc1C(F)(F)F 587098732 UEZSXFCNCWIKCZ-VIFPVBQESA-N 422.350 5.027 0 1 HKAF Cc1nc2cccc3c2c(c1Cc1ccc(C(F)(F)F)cc1)-c1ccccc1C3=O 587103189 GZDXSRXRKPCRTD-UHFFFAOYSA-N 403.403 6.364 0 1 HKAF O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1ccc(C(F)(F)F)cc1 587104389 SRUMFNLPTLUWAL-UHFFFAOYSA-N 417.386 5.890 0 1 HKAF CCO[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C12CCCCC2 587350065 DFCQMDHYRYSXJO-SLSDLSHTSA-N 410.485 5.388 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4nc(C(C)(C)C)cs4)cc1)[C@@H](C2)C3=O 587453474 WQQCUHCQRCZNBV-JTSKRJEESA-N 405.519 5.605 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3cccc(Br)c3n1)CC2=O 587460550 TYVBXEAGDFWWFL-LJQANCHMSA-N 412.283 5.362 0 1 HKAF CCCOc1c(OC)cc(Cl)cc1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587462626 PTGWEUMTCMNOFR-IBGZPJMESA-N 404.890 5.502 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3ccc(C(F)(F)F)cc3n1)CC2=O 587463491 BFGIYLBAYLQCTP-FQEVSTJZSA-N 401.384 5.618 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2=O 587464489 RITUEWJOLGODJX-KRWDZBQOSA-N 418.333 6.089 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1ccc3c(c1)CCCC3)CC2=O 587480535 DMOJOJCZPFGGAS-HSZRJFAPSA-N 402.494 5.320 0 1 HKAF C[C@H](Oc1cccc(C(F)(F)F)c1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587504564 FEZXJPWOHGOJRW-RCDICMHDSA-N 404.428 5.776 0 1 HKAF CSc1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(O)c2)cc1 587530252 BNWVKQKKXVKJMB-VWLOTQADSA-N 416.542 6.366 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(C(F)(F)F)cc12 587542619 ALCVXOGPUVZXEA-SIKLNZKXSA-N 412.363 5.214 0 1 HKAF C[C@@]1(Cc2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549089 PUZWPANHAGEQIM-KNQAVFIVSA-N 414.379 5.374 0 1 HKAF Cc1cc(OC(F)F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587554726 JBEAEIQYXBVTKZ-DENIHFKCSA-N 412.388 5.313 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@H](c1ccccc1)C2 587603001 KLHKBZXGLUUGHC-CZZAQMAHSA-N 400.474 5.841 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C(F)(F)F)c1 587710108 FHYIRNZYZWGOIO-DYZYQPBXSA-N 402.229 5.539 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ncc2C(F)(F)F)N1 587714336 PKCSMUOFBQHFFW-ZIDLFYJRSA-N 423.635 5.279 0 1 HKAF CCOc1nc2ccccc2cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587776162 BIPJPVJJBKNEQH-YUNKPMOVSA-N 415.306 5.159 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCCC3)s2)N1 587848675 PIDYTUGIJUTWLP-BUXKBTBVSA-N 409.368 5.264 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1cccc(Cl)c1Cl 587871168 PFKQSQLKHKSHKK-UHFFFAOYSA-N 409.244 5.114 0 1 HKAF COc1ccc([C@@H]2C(=O)c3ccc(OC)cc3[C@H]2c2ccc(-c3ccccc3)cc2)cc1 653724599 KJCOQHMHDBWKMR-IZLXSDGUSA-N 420.508 6.483 0 1 HKAF CN1C(=O)C[C@@H]2CN[C@](CCc3ccccc3)(c3ccccc3Cl)c3cccc1c32 963025358 JWYOBBKYGOVIKJ-NIYFSFCBSA-N 416.952 5.270 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@]2(c1ccccc1)C12CC3CC(CC(C3)C1)C2 963270621 QHINVDXIQLBWGD-BUSSHWHTSA-N 407.985 5.954 0 1 HKAF O[C@H]1CN(C[C@H](F)CCc2ccccc2)CCc2cc(OCc3ccccc3)ccc21 1857605100 ZIRKQVXERSGPJJ-SQHAQQRYSA-N 419.540 5.128 0 1 HKAF CC1=C[C@H](CNCc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 2356287012 VTQNUZCDPAOAKQ-ZRBLBEILSA-N 402.586 5.453 0 1 HKAF COc1cc(OC)c2c(c1)O[C@@H](c1ccc(O)cc1)C[C@@H]2C=Cc1ccc(O)cc1 2356457425 PEFRTDSZTRQEAJ-PGRDOPGGSA-N 404.462 5.436 0 1 HKAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](OC(=O)C=C(C)C)[C@@H](C)[C@]21C 2356620498 UYCYCVGKTVFCMC-DTZSKYKMSA-N 414.542 5.625 0 1 HKAF CCC=CCC(=O)O[C@@H]1CC=C2[C@@H]3CC[C@]4(C)[C@H](C(C)C)CC[C@@H]4[C@@H]3CC[C@@]2(C)C1 2356790690 FVZWUTGPDNERON-ZMUORNKKSA-N 412.658 7.490 0 1 HKAF CC1=C(C(C)C)[C@@]1(C)C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356807577 XWJYKMIJDLSPOV-WTAUCQSOSA-N 424.713 7.945 0 1 HKAF CC1=CC[C@H]([C@]2(C)CCC[C@]3(C)[C@H](CCc4ccoc4)[C@@](C)(O)CC[C@H]32)OC1=O 2356848762 PIHBWQGVQVWLPT-JGIPNCKBSA-N 400.559 5.448 0 1 HKAF Cc1ccc(C(C)C)c2oc(=O)cc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c12 13814795 DRVZROSQFFDNSZ-UHFFFAOYSA-N 422.446 7.578 0 3 HKAF aggregator O[C@H](Cc1cccc(Br)c1)c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 61902752 IIQQUOZJIKLJSD-MRXNPFEDSA-N 411.221 5.134 0 3 HKAF O=C(Nc1cccc(Cl)c1)c1csc([C@H](O)c2cccc(C(F)(F)F)c2)n1 206019577 JGVHPNPZFSXCOX-OAHLLOKOSA-N 412.820 5.149 0 3 HKAF COc1ccc(CCN2CCC(COC(c3ccccc3)c3ccccc3)CC2)cc1 599396 DZKOTCLZXYNJGQ-UHFFFAOYSA-N 415.577 5.756 0 1 HKAF Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)CCCc1ccccc1)CC(=O)N2 2724109 UNGMGEUTPYHDSG-AREMUKBSSA-N 416.496 5.027 0 1 HKAF CCOC(=O)N1CCC(c2ccccc2)(c2nccn2[C@H](C)c2ccccc2)CC1 3815916 AZPCCLQAOVOOKT-HXUWFJFHSA-N 403.526 5.031 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C\C(C)=C/C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)CCC1 5766266 XILISIALPJYAMY-WMZRUAFRSA-N 413.602 6.134 0 1 HKAF c1ccc(-c2nc(-c3cccc4ccccc34)c(Nc3ccc4ccccc4c3)o2)cc1 8690111 DHYUVCMZFHPLMK-UHFFFAOYSA-N 412.492 8.059 0 1 HKAF CC1=C[C@@H]2c3c(CCC(=O)c4ccc(O)cc4O)ccc(O)c3OC(C)(C)[C@H]2CC1 13373033 WHRKASUSXQKVPY-OALUTQOASA-N 408.494 5.230 0 1 HKAF biogenic O=C(CCCCCCc1nnc(-c2ccc(-c3ccccc3)cc2)o1)c1ncco1 13587171 SECSEUFONIRXKH-UHFFFAOYSA-N 401.466 5.768 0 1 HKAF Fc1cccc(CO[C@@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 13744488 ZTQWBNHZWSYFKN-KAYWLYCHSA-N 401.525 5.637 0 1 HKAF CCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)c1ccc(C(=O)OC)cc1-2 13813993 BGEQLQHMNLYKKS-UHFFFAOYSA-N 424.581 7.024 0 1 HKAF CCOc1cccc(-c2cc(F)c(NC(=O)c3ccsc3C(=O)O)c(F)c2)c1 14960652 FQIHPSGODYSCSJ-UHFFFAOYSA-N 403.406 5.043 0 1 HKAF CCO[C@@H](CCc1ccc2oc(Cc3nc(-c4ccccc4)oc3C)cc2c1)C(=O)O 27300352 YEXIHLWRAZTOKF-QHCPKHFHSA-N 419.477 5.409 0 1 HKAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)OC3CCCCCC3)CN(C)[C@@H]1C2 27520337 MBYARJXYTMMETQ-ZFJSRUIDSA-N 408.586 5.448 0 1 HKAF CC1=C(CC/C(C)=C/CC/C(C)=C/CC[C@H](CC(=O)O)C(=O)O)C(C)(C)CCC1 40834102 JIZGCTSGYQXOKG-ZLCUSBNJSA-N 404.591 6.922 0 1 HKAF CCP(=O)(CC)Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 40897010 CRIDCHWTVFTBRJ-UHFFFAOYSA-N 412.495 6.153 0 1 HKAF CCCCNC(=O)c1ccc(OC2CCN(CC3CCCCC3)CC2)c(Cl)c1 45302991 QMUZZFAEQFEEQC-UHFFFAOYSA-N 406.998 5.293 0 1 HKAF CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(-c3cccc(Cl)c3)cs2)C1 45324208 YYUWQPUJGFRUCK-MRXNPFEDSA-N 405.007 5.556 0 1 HKAF CC[C@H](C)Nc1ncc(-c2cc(-c3ccccc3Cl)nc(-c3ccccn3)n2)s1 64539444 STSWOANFFVWUHF-AWEZNQCLSA-N 421.957 6.193 0 1 HKAF O=C(OCc1ccccc1-c1ccccc1)[C@@H]1CCCN(CCCc2ccccc2)C1 73198747 MLDXCOMMNMHOQL-RUZDIDTESA-N 413.561 5.742 0 1 HKAF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NCc2ccccc2)nc1-c1ccccc1 82132776 DQBQUQXWKCOFND-AVRDEDQJSA-N 400.526 5.064 0 1 HKAF Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(-c3ccccc3Cl)nnc2c1 84687989 KJNMNIOIMLFSOY-UHFFFAOYSA-N 420.875 5.056 0 1 HKAF COc1cccc(-c2nc3ccn(Cc4ccc(C(F)(F)F)cc4)cc-3n2)c1F 100068570 BDHQAMXOAYBVTO-UHFFFAOYSA-N 401.363 5.265 0 1 HKAF Cc1cc(C2=CC[C@@H](O)CC2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C 103174166 HFMAPLMZSDXNHD-CYBMUJFWSA-N 403.910 5.240 0 1 HKAF COc1cccc(OC)c1[C@H]1C[C@H](C)CC(=O)N1Cc1ccc(OC(F)(F)F)cc1 103258895 WIJOFKNWMVOSOA-WMLDXEAASA-N 423.431 5.102 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccc(O)cc2)C[C@@H](c2ccccc2Cl)C1 103921264 DRTBHCPUZFTMKQ-PUAOIOHZSA-N 416.908 6.675 0 1 HKAF Cc1cc(/C=C/C(=O)NCCn2c(C(F)(F)F)cc3ccccc32)cc(C)c1F 169347555 GQKZZHSVRVDSSL-BQYQJAHWSA-N 404.407 5.246 0 1 HKAF CCCN1CCc2c(c3cc(Cl)ccc3n2CCCOc2ccc(Cl)cc2)C1 169350506 DVWDFRSHGZOILA-UHFFFAOYSA-N 417.380 6.185 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 261496325 HWOOALPDOJHOPO-FHTQBPMKSA-N 402.663 6.648 0 1 HKAF endogenous,in-man O=C(O)c1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1 587068285 OXQALDBRVSPUMK-UHFFFAOYSA-N 404.813 5.027 0 1 HKAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587108621 GBOKVHIHVVBETC-UHFFFAOYSA-N 408.685 5.619 0 1 HKAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cccc(F)c4[nH]3)nc2n1 587114992 CKCVPESEYWVBPH-UHFFFAOYSA-N 409.412 5.168 0 1 HKAF O=C(c1ccccc1)c1ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2c1 587133260 NIMIDKYLGUBTNY-UHFFFAOYSA-N 413.235 5.471 0 1 HKAF Cc1ccc2nc([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2c1C 587140964 LCRGFCBGIPOTSB-GOSISDBHSA-N 423.941 5.038 0 1 HKAF COC(=O)c1sccc1O[C@H](C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587209644 RLOROGRETPLCSE-CYBMUJFWSA-N 415.470 5.434 0 1 HKAF O=S(=O)(Nc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1)c1ccc(Cl)cc1 587216605 GYAPYSYVQBELAW-UHFFFAOYSA-N 420.921 5.455 0 1 HKAF CNc1cccc(-c2cccc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2)c1 587235820 QFNFEGQYUZPWTC-UHFFFAOYSA-N 403.795 5.352 0 1 HKAF O=C1c2ccc(O)cc2O[C@](CC2CC2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 587326260 BHIOANLZNWLXBX-ILBGXUMGSA-N 422.883 6.239 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(C2CCCC2)[C@H]1c1ccc(F)cc1 587339975 WMPLYPZHBHUQIQ-AHWVRZQESA-N 420.455 6.115 0 1 HKAF Cc1[nH]c2ccccc2c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346150 LJHWANGMUUUBKT-ILBGXUMGSA-N 401.437 5.595 0 1 HKAF CCC[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353491 QTJHNLSQVJTQOM-UKILVPOCSA-N 406.453 5.594 0 1 HKAF CCC(=O)Nc1cccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1 587363661 VXHGCEGUWSCPIT-UHFFFAOYSA-N 422.484 6.672 0 1 HKAF COc1cccc(-c2cc(-c3ccccc3OCC(N)=O)nc3c2oc2ccccc23)c1 587363889 WMRJPTVXGCIOEJ-UHFFFAOYSA-N 424.456 5.188 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)O2 587380152 BSGPVVOXIOOJJC-JOCHJYFZSA-N 415.386 5.644 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccccc1Oc1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O 587442752 NMRGNOLOPZFPKZ-LVXARBLLSA-N 414.501 6.274 0 1 HKAF CCCC/C=C\CCCCCCCCC[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587489183 NHNJJLXFIWOYMT-RHVSLNNASA-N 414.630 7.936 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccccc3C)nc3ccccn13)CC2=O 587492065 WJUNDUDFDFZMIA-QFIPXVFZSA-N 412.489 5.674 0 1 HKAF CN(C)/C=C\[C@@]1(c2cc(Cl)cc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587500758 ODGRZTDYZLWWGE-AXKWSIDASA-N 416.348 5.808 0 1 HKAF COc1cc(Br)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC 587503462 OEYIKFPEQCLKSW-GOSISDBHSA-N 417.299 5.052 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@H]2Cc1ccccc1 587602505 IFXJMIPONHQCIU-FPDDQMOCSA-N 400.474 5.526 0 1 HKAF CCCC[C@@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606470 DCQCWQXWHCMJFD-DHLKQENFSA-N 418.445 5.168 0 1 HKAF COc1cccc2cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)oc12 587616163 IYNIVBGRWIEMME-RDPSFJRHSA-N 402.402 5.024 0 1 HKAF Cc1ccc(NC(=O)c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)c(Cl)c1 587621448 FUHRBCYVFYDJEH-UHFFFAOYSA-N 417.694 5.329 0 1 HKAF Cc1c(-c2ccc(F)c(C(F)(F)F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587622473 NOOSJGHVOVQCLQ-UHFFFAOYSA-N 412.184 5.940 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(C(F)(F)F)N1 587704750 KAJGWJHVUQIDCF-DIFFPNOSSA-N 402.229 5.123 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccc(F)cc3)s2)N1 587735125 PFVYOWJEOWPNGF-XTZNXHDOSA-N 421.310 5.474 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(c3ccc(F)cc3)CC2)N1 587735944 RWODIHDTYULTOE-PCODGMICSA-N 406.314 5.815 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(F)cc3)s2)N1 587737065 WBTDWXXWDIRUMM-BIBXISHDSA-N 420.322 6.079 0 1 HKAF CCCCC[C@]1(c2ccc(N)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587748829 YUMPFTKTOWITQB-LHSJRXKWSA-N 405.355 5.529 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccncc2)(c2ccccc2)N1 587777704 JBAAVEXERQSOSA-NYHFZMIOSA-N 411.318 5.004 0 1 HKAF COc1ccc2cccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587812388 ZTMYSXZSYQHIMC-XMHCIUCPSA-N 414.318 5.548 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccc(O)cc12 587833974 PXWSTUCYEOSVRY-VERVWZFWSA-N 410.286 5.100 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2sc2ccccc32)N1 587858415 QEIIYEVBDOUCFW-XUSGNXJCSA-N 416.359 5.917 0 1 HKAF COc1ccccc1CC(=O)c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1 587928719 BICUYGJYNCJQKZ-UHFFFAOYSA-N 402.294 5.035 0 1 HKAF Cc1nc2[nH]c(CCCCCCCCCCCCC(=O)O)nc2cc1Br 587956520 FOKBZCDLPCXBLW-UHFFFAOYSA-N 424.383 5.947 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(O)cc2[nH]1 587958771 HVWCNTFCNACRBA-XSCOUVMYSA-N 418.625 8.123 0 1 HKAF CN(c1ccccc1)c1ccc([C@H]2c3ccsc3CCN2Cc2cccn2C)cn1 962400181 SSAPLERCJASTHO-VWLOTQADSA-N 414.578 5.397 0 1 HKAF CC(C)(C)[C@@]1(c2ccsc2N)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962959674 PCBJMQYOJUCEKE-OAQYLSRUSA-N 424.532 5.290 0 1 HKAF O=C(O)CCCCCC[C@]1(c2ccc3ccccc3c2)NCCc2ccc(O)cc21 963350661 CNRXUUJVQYMYIU-AREMUKBSSA-N 403.522 5.360 0 1 HKAF C[C@]1(c2cc(F)ccc2F)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963816512 CVKVDFSOJQSPCW-RUZDIDTESA-N 404.460 5.434 0 1 HKAF CCCCC[C@@]1(c2ccco2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963831852 KCSDJISSBJCIRK-MHZLTWQESA-N 414.549 6.310 0 1 HKAF COc1ccc(Cl)cc1-c1cc(Cl)cc([C@H](CC(=O)O)c2ncc(C)s2)c1 1772607131 OPIIWWNXKUMBPY-KRWDZBQOSA-N 422.333 6.041 0 1 HKAF Clc1ccc(Nc2nc(C(Cl)(Cl)Cl)nc3ccsc23)c(Cl)c1 1772654371 XINMWOGZXWSGOB-UHFFFAOYSA-N 413.544 6.568 0 1 HKAF CC(C)c1ccc([C@@H]2[C@@H]3CCCC3=NN2S(=O)(=O)c2ccc(Cl)cc2)cc1 1857547436 AZIGSXQBNFGDHO-TZIWHRDSSA-N 402.947 5.365 0 1 HKAF Cc1ccsc1C(=O)N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2ccccc12 1857553509 GHSCHYHXVYHVMC-UHFFFAOYSA-N 415.440 5.148 0 1 HKAF FC(F)(F)c1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1 1857598037 NWZBSQFHAQJQBL-UHFFFAOYSA-N 404.395 6.101 0 1 HKAF CC[C@@H](C(C)=Cc1cc(OC)c(OC)cc1OC)c1cc(OC)c(OC)cc1OC 2356487612 GGIJVVURVQQPBB-KRWDZBQOSA-N 416.514 5.335 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCCC1=CC[C@H](C2=CC(=O)O[C@@H]2O)O[C@@H]1O 2356563498 GIRSFGZJCQRVIO-VJTSUQJLSA-N 416.558 5.021 0 1 HKAF CO[C@@H]1c2occc2[C@H](O)C[C@@H]2[C@]1(C)C[C@H]1[C@@]2(C)CC[C@@H]2C(C)(C)CCC[C@]21C 2356615815 MRMQROGLXJNWRO-OPBQUQPYSA-N 400.603 6.679 0 1 HKAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](OC(=O)C=C(C)C)[C@@H](C)[C@@]21C 2356620499 UYCYCVGKTVFCMC-ICVGWCJUSA-N 414.542 5.625 0 1 HKAF C[C@H]([C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H]1NCOC[C@]14C)N(C)C 2356623509 WQJGXMIIUOPURY-YTOWVXFMSA-N 412.662 5.388 0 1 HKAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)C3=C(CCC(C)(C)C3)CC[C@]12C 2356733022 ONKVULBDJSGIEB-CZZSAKKJSA-N 410.686 8.131 0 1 HKAF CC(C)N(C)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 2356832616 ICIFJLMTFSQSDT-QCYZZNICSA-N 402.711 6.304 0 1 HKAF COc1ccc(C[C@H](N)c2csc(NC(=O)Nc3ccccc3C(C)C)n2)cc1 61926449 YOSJZWNIDDAPIF-SFHVURJKSA-N 410.543 5.162 0 3 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@H]1CCc2ccccc2C12CCCC2 3793044 NHUWZNCFCIPCMG-XMMPIXPASA-N 404.598 6.882 0 1 HKAF CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F 4207490 ZUFXTWXMXCBQMX-IEBWSBKVSA-N 409.288 5.141 0 1 HKAF COc1ccc2[nH]cc(CCNc3nc(-c4c(C)noc4C)nc4ccccc34)c2c1 4265406 FIPOSBQHEUPAMD-UHFFFAOYSA-N 413.481 5.046 0 1 HKAF COc1cc(O)cc(O)c1C(=O)[C@H]1CC(CCC=C(C)C)=CC[C@H]1c1ccccc1 13410543 LPKJICQWVHIRIV-VXKWHMMOSA-N 406.522 6.156 0 1 HKAF biogenic CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCCc1cccs1 13517588 ZNGWAJZYXIXAAF-DOFZRALJSA-N 414.655 7.980 0 1 HKAF Cc1cc(C)c(NC(=O)c2cccc3nc(NC(=O)OC(C)(C)C)sc23)c(C)c1 13533801 BUYFHHDZWQVQED-UHFFFAOYSA-N 411.527 5.821 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@](C)(C[C@H](O)C3=CC(=O)O[C@H]3O)CCC[C@@]21C 26964079 JSDANYFQRXTLHP-SWNIHXNYSA-N 406.607 5.224 0 1 HKAF CC1(C)[C@H]2C[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2/C=C/[C@H](O)COc1ccc(F)cc1 27554603 FBOACMAKXADYFB-ZKWYQKCGSA-N 416.533 5.231 0 1 HKAF CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(-c2cocn2)c1 28890927 YLFNNNXHMYFDOH-GOSISDBHSA-N 423.509 5.466 0 1 HKAF N=C(Cc1ccc2ccccc2c1Cl)N1CCC(O)(c2ccc(Cl)cc2)CC1 29408727 JCDONVBMAPJBIG-UHFFFAOYSA-N 413.348 5.650 0 1 HKAF Cc1ccc([C@H](O)c2cccc([C@@H](C)CN3CCCC[C@@H]3CC3CCCCC3)c2)cc1 29411064 GJBDYIWLLXEWQA-QKZGOTKPSA-N 419.653 7.005 0 1 HKAF COc1ccc(-c2ccccc2)c2nc(Cc3ccc(Cl)cc3)c(O)c(C(=O)O)c12 35087146 BHJYEOTVSNMTNP-UHFFFAOYSA-N 419.864 5.558 0 1 HKAF N[C@H]1CC[C@@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 36324375 TZYWVNRQPJYYMS-RCCFBDPRSA-N 403.366 5.514 0 1 HKAF CCCNCc1cccnc1-c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 38149562 DJFWDZCRWOSJPA-UHFFFAOYSA-N 401.554 5.798 0 1 HKAF Cc1ccc(O)cc1CC[C@H]1[C@@H]2CC[C@H]([C@H](C)/C=C/[C@@H](C)C(C)C)[C@@]2(C)CC[C@H]1O 38559341 WPPVLVJCHIZUQE-UREQJXNFSA-N 412.658 6.921 0 1 HKAF O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccc(F)c(Cl)c1 43014309 HJEHWOOTHHIGAE-UHFFFAOYSA-N 424.931 5.618 0 1 HKAF CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)CO[C@H](c1ccccc1)C1CCC1 49036409 HWIDACPLMPKIBW-KAYWLYCHSA-N 417.593 5.669 0 1 HKAF O=C(O)c1ccccc1-c1ccc(CCc2ncc(Cc3ccc(Cl)cc3)[nH]2)cc1 49050533 DXQXSWQHJWEHDS-UHFFFAOYSA-N 416.908 5.804 0 1 HKAF O=C(c1cc2ccccc2o1)c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1 73198421 TZIOCZDXIULNII-UHFFFAOYSA-N 423.856 6.205 0 1 HKAF CC(=O)Nc1cccc(Oc2cncc(NCC(c3ccccc3)c3ccccc3)n2)c1 82068910 CMBYFVBMLBTBQG-UHFFFAOYSA-N 424.504 5.471 0 1 HKAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2ccccc2F)C1 82151507 FKJXCRQRDORTFX-OALUTQOASA-N 424.564 5.170 0 1 HKAF CCOc1ccc(CCNc2ncc(-c3ncc(C)o3)c(-c3cccc(C)c3)n2)cc1 82173565 KQCZUOBJNCNAKY-UHFFFAOYSA-N 414.509 5.469 0 1 HKAF CC(=O)N[C@@H]1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1 84668568 DZFJCOBMNWBMOF-QGZVFWFLSA-N 416.308 5.196 0 1 HKAF CC1(C)C=C[C@@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1 86025072 DAYKSLOBCZJGHS-HSUNHJJFSA-N 424.713 7.945 0 1 HKAF in-man O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2c1cccc2C1CCOCC1 95575431 GLICAAYPBGPYFS-UHFFFAOYSA-N 419.471 5.932 0 1 HKAF Oc1cc(O)c(-c2cc(-c3cccs3)on2)cc1-c1cc(-c2cccs2)on1 96930219 INPNFTZACYVGMJ-UHFFFAOYSA-N 408.460 5.865 0 1 HKAF Cc1cc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2Cl)ccc1F 96940292 ODIUZAFZPPDMID-UHFFFAOYSA-N 405.904 6.311 0 1 HKAF O=C1O[C@@](CC2CCCCC2)(c2ccccc2)CC(O)=C1SCc1ccccc1 100364025 ZXXZDDBRZFFDDH-RUZDIDTESA-N 408.563 6.502 0 1 HKAF Oc1ccc2[nH]c3c(c2c1)C[PH](Cc1cccc2ccccc12)(c1ccccc1)CC3 157648637 JDMMDHVJRHVVMQ-UHFFFAOYSA-N 423.496 6.358 0 1 HKAF CCO[P@](=O)(CC)Cc1cc(Nc2cc(-c3cccc(N)c3)ncn2)ccc1C 169346802 IISOQYAOTJHYJA-GDLZYMKVSA-N 410.458 5.612 0 1 HKAF CCCCCOc1cc(C(=O)OCC=C(C)C)nc2c(OCC=C(C)C)cccc12 219778570 SBDTVNQLAFVXQD-UHFFFAOYSA-N 411.542 6.272 0 1 HKAF CCN(CC)CCCSCCOC(=O)C(Cc1ccccc1)Cc1ccccc1 238738318 CRSAKDPOEHFLDY-UHFFFAOYSA-N 413.627 5.096 0 1 HKAF CC(C)[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CCO 238748843 YAEPKQOACIVWII-SNHMSHGASA-N 414.718 7.882 0 1 HKAF CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@@H]4[C@H]3CC[C@@]21C)C(C)C 255274832 WBTPOQYEYUEYSR-XLWIGYFOSA-N 400.691 7.491 0 1 HKAF Oc1ccc(-c2cccc(-c3nc4ccc(I)cc4[nH]3)c2)cc1 586898133 MFEONEMXQMVUOI-UHFFFAOYSA-N 412.230 5.207 0 1 HKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(C(C)(C)C)cc2[nH]1 586982624 MVWBUYKFXGEFJH-QGZVFWFLSA-N 413.403 6.995 0 1 HKAF O[C@H](c1ccc(Br)cc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 586998170 YNQGMLNZZIEUEP-CYBMUJFWSA-N 403.223 5.019 0 1 HKAF CCCOc1cc2nc(-c3sc([C@H](C)OCC)nc3C)[nH]c2cc1Br 587014143 HEZMCPMFTKMNBR-NSHDSACASA-N 424.364 5.644 0 1 HKAF FC(F)(F)c1cc(Br)cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 587017751 YQZCTKSMZBTTEP-NSHDSACASA-N 418.238 5.319 0 1 HKAF FC(F)(F)c1cc(Br)cc2nc(-c3csc4c3CCOC4)[nH]c12 587032531 XRPLQVLQZGGRAW-UHFFFAOYSA-N 403.223 5.145 0 1 HKAF COc1cc(/C=C\c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc(Cl)c1OCC(C)C 587046804 MMOVJAVQABCSKX-PAKAJVGYSA-N 414.893 5.154 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2)c1 587050543 RXYJOKFWKQLTSK-UHFFFAOYSA-N 418.777 6.521 0 1 HKAF NC(=O)c1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587070370 IBUMYDBPMWYCPT-WDZFZDKYSA-N 403.869 5.065 0 1 HKAF Oc1nc(S)nc2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc12 587074155 UCMOYZFRYCWSBC-NTCAYCPXSA-N 408.914 5.174 0 1 HKAF Cc1ccc(-c2cc(-c3nc4ccc(C(=O)O)cc4[nH]3)c3cccc(Cl)c3n2)o1 587083258 LDYCFKGJWSYMTK-UHFFFAOYSA-N 403.825 5.698 0 1 HKAF O=C(c1ccccc1)c1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 587127137 MMPNLCMXSRSHFE-UHFFFAOYSA-N 422.366 5.236 0 1 HKAF Fc1cc(Br)c2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc2c1 587128295 IWJVDQZNDKABPP-UHFFFAOYSA-N 424.245 6.193 0 1 HKAF Fc1ccc(-c2ccsc2-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)cc1 587163505 KGTNXHOKQLXGSJ-UHFFFAOYSA-N 413.346 6.147 0 1 HKAF Cc1cc(Br)c2[nH]c([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc2c1 587167531 UFRQYFIXZGRNKD-INIZCTEOSA-N 417.282 5.142 0 1 HKAF Clc1cc2nc(/C=C/c3cccc(I)c3)[nH]c2c(Cl)n1 587183478 CWLLUBIWNGWQIL-SNAWJCMRSA-N 416.049 5.040 0 1 HKAF Cc1nc2cccc3c2c(c1[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2C1=O)CC3 587216511 CQVMDVGZPPAHCZ-FTJBHMTQSA-N 419.480 5.192 0 1 HKAF C[C@@]1(c2ccc3c(c2)CCCN3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350160 RGZIPIBHSMCLEY-ZCYQVOJMSA-N 403.453 5.164 0 1 HKAF CCCc1ccc([C@]2(CC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587353691 LPAKUEKSQIHTTD-AHWVRZQESA-N 404.481 6.148 0 1 HKAF COc1ccc([C@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587354899 WBTGLZFSVSUMBC-ZCYQVOJMSA-N 406.453 5.450 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(Br)=CCC3)c1 587357612 JIOTZONOQHDHIM-UHFFFAOYSA-N 406.279 6.339 0 1 HKAF COc1cccc(COc2ccc(Cl)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587376022 BOXKLABABFVICW-QHCPKHFHSA-N 423.896 5.525 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccc(C(C)(C)C)cc4)cc1)[C@@H](C2)C3=O 587440706 CINNFIMWTLMGAG-NVQXNPDNSA-N 414.501 6.274 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccccc1C(F)(F)F)CC2=O 587464349 ONGJAXIUMGFESY-OAQYLSRUSA-N 415.411 5.861 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)cc(Br)cc1Cl)CC2=O 587466002 LDXQTDKHMHTSRS-MRXNPFEDSA-N 413.670 5.606 0 1 HKAF CCCOc1ccc([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)c(OCCC)c1 587478619 GPTJCMUODUVTPA-VWLOTQADSA-N 412.526 5.803 0 1 HKAF Cc1[nH]c2ccc(Cl)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551631 HUSJTZZRIZBBPW-OFNKIYASSA-N 405.837 5.538 0 1 HKAF C[C@]1(c2nc3ccccc3n2C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558566 XCTKYDVFUNTXKR-JPYJTQIMSA-N 422.387 5.014 0 1 HKAF Nc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CC(=O)O)cc1 587628564 VFMQEWMVSNPVPX-UHFFFAOYSA-N 402.294 5.082 0 1 HKAF CCn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(OC)ccc21 587759830 WAPDASJRHLUFAO-GTJPDFRWSA-N 417.322 5.195 0 1 HKAF Cc1oc(-c2ccccc2)nc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587773427 ILETUEWAAPYLRS-QKVFXAPYSA-N 415.306 5.349 0 1 HKAF CCCCCOc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587795192 QXWLIWOPUUEQDA-LHSJRXKWSA-N 406.339 5.781 0 1 HKAF COc1cccc([C@]2(C(C)(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587807266 KMZFTGWYVSNWAK-ZSEKCTLFSA-N 406.339 5.421 0 1 HKAF Cc1cccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 587821379 UNVLCSWQKFARQP-IQMFZBJNSA-N 410.330 6.187 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccccc1-c1ccccc12 587829114 QQHPMGONPTXCNH-ZAMGYDSWSA-N 422.297 5.229 0 1 HKAF CCCC[C@]1([C@H]2CCOC(C)(C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 587831656 ILBDXSLZZIHBKD-IVZHQMGZSA-N 412.387 5.713 0 1 HKAF CC(C)c1cccc2c1OCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587833505 GPNZYODSGDIBFR-ASSNKEHSSA-N 404.323 5.272 0 1 HKAF Cc1ccccc1C1([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCOCC1 587836190 SOQYTMLVFULUAB-QVKFZJNVSA-N 418.350 5.220 0 1 HKAF Cc1cccc(-c2nc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cs2)c1 587852717 NEWPBIXFGQWYNO-HXPMCKFVSA-N 417.347 5.644 0 1 HKAF Oc1cc(-c2ccccc2Cl)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 587946602 ZQCZBGHGJOCRKU-UHFFFAOYSA-N 413.807 6.279 0 1 HKAF CC(C)COc1cc2[nH]c(C(=O)CCc3ccccc3)nc2cc1Br 587953509 LNPAPLKGXYKVJY-UHFFFAOYSA-N 401.304 5.176 0 1 HKAF Brc1ccc(Br)c2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc12 587962859 YVZDXWXUDGSQQF-RYUDHWBXSA-N 406.121 5.434 0 1 HKAF CC/C(=C/c1nc2cc(Br)c(Br)cc2[nH]1)c1ccc(C)cc1 587967539 ONYBVPCALIOMLA-WQLSENKSSA-N 420.148 6.347 0 1 HKAF C[C@H](CC[C@@H]1c2ccsc2CCN1Cc1cccn1C)N(C)C(=O)OC(C)(C)C 962368645 BAPNTINSMRAVKE-YLJYHZDGSA-N 417.619 5.222 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCC2OCCCO2)(c2cccc(F)c2)N1 962948815 OPQRDPSOQFBJAG-KBMIEXCESA-N 408.517 5.018 0 1 HKAF Cc1cccc([C@@]2(c3ccc(CN4CCC4)cc3)NCCc3c2sc(C)c3C)c1 963008095 JGTSMEKZYSTROE-AREMUKBSSA-N 402.607 5.317 0 1 HKAF CSc1ccc(/C=C2/C(C)=C(CC(=O)N(C)CCN(C)C)c3cc(F)ccc32)cc1 1772640689 SUMDEKZYXPRXKR-HMAPJEAMSA-N 424.585 5.285 0 1 HKAF N[C@H](c1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1)C(F)(F)F 1772645378 XHALKFXCGPWDMN-MRXNPFEDSA-N 412.337 5.468 0 1 HKAF c1csc(-c2ccc(CNCCNCc3ccc(-c4cccs4)cc3)cc2)c1 1857564841 DSSWSWXNACKDDF-UHFFFAOYSA-N 404.604 6.023 0 1 HKAF CCCCOc1nc(NCc2cccc(C(F)(F)F)c2)c2ncn(C(C)C)c2n1 1857568904 FLHJXQQMBJPMQT-UHFFFAOYSA-N 407.440 5.217 0 1 HKAF Cc1nc2ccccc2c(-c2ccc(C(F)(F)F)cc2)c1[C@H](OC(C)(C)C)C(=O)O 1857649899 CGPRMCRUNRKBNJ-FQEVSTJZSA-N 417.427 6.170 0 1 HKAF CCC=CCC=CCC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 2356454507 OAQVNHWNJRZYDE-UHFFFAOYSA-N 413.602 6.607 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1[C@H](O)CC[C@]2(C)[C@H]([C@H](C)CC[C@@H](C)C(C)C)CC[C@H]12 2356511698 MGNWMLGIVDEXBR-KMCNLULNSA-N 414.674 7.145 0 1 HKAF CC1=C(C(C)C)[C@@H]1C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356512301 XMKPXGGZJIEBEJ-XWFIMXOTSA-N 412.702 7.635 0 1 HKAF CC(C)=CCC[C@](C)(O)C=CCC(C)=CCCC(C)=CCc1cc(O)cc(C)c1O 2356646297 XBSFKKHIMQOPQZ-MHZLTWQESA-N 412.614 7.065 0 1 HKAF CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(O[C@@H]2CCCC3(CCCC3)C2)c1 2356773347 XKUGZEVETXTZRP-JTHBVZDNSA-N 416.602 6.107 0 1 HKAF COc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCC1CCCCC1 773443 MDTMNHADVFMQCU-UHFFFAOYSA-N 408.473 5.466 0 1 HKAF CC(C)c1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 774952 AKOHLYKIBYNFQB-RTWAWAEBSA-N 422.500 5.304 0 1 HKAF CCOc1cccc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@H](C)C(C)C)c1 2481930 CYIYFGWKWRVOHQ-OAHLLOKOSA-N 412.917 5.835 0 1 HKAF CC/C(=C(\c1ccc(Cl)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 26570711 HKUVASGVWSXQDV-QPLCGJKRSA-N 405.969 6.650 0 1 HKAF C(\Cc1ccccc1)=C(/c1ccccc1)C1CCN(CCCCc2ccccc2)CC1 28223049 JUHKRXYCLXAVRI-COEJQBHMSA-N 409.617 7.048 0 1 HKAF Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)c3cc4ccccc4s3)cc12 28569936 YTWHOIRGYHVQST-UHFFFAOYSA-N 418.566 5.008 0 1 HKAF Cc1cc(NC(=O)c2ccco2)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2n1 40865893 TWMKXWQAANIDDU-UHFFFAOYSA-N 420.856 5.686 0 1 HKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)C[C@@H]2C1=CCN(Cc2ccccc2)CC1 45188359 OOLLOOHDCMRLFA-XMMPIXPASA-N 419.609 6.602 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)OCCCCCC(=O)O)C(C)(C)CCC1 49111013 SYZBEBBLDNHLHR-RVRNSXJZSA-N 414.586 6.706 0 1 HKAF CCc1cccc(NC(=O)Nc2cccn(Cc3cccc(C(F)(F)F)c3)c2=O)c1 64513947 MVRLUHYYUWCASB-UHFFFAOYSA-N 415.415 5.122 0 1 HKAF CCCCCN(CCCCC)C(=O)C(Br)(C(F)(F)F)C(F)(F)F 68573973 BNOUCRKHTJLMNG-UHFFFAOYSA-N 414.228 5.454 0 1 HKAF biogenic O=C(Cc1ccccc1)NC(=O)Nc1ccc(Oc2ccnc3ccsc23)cc1F 72179397 OAXKCWUKTUSASW-UHFFFAOYSA-N 421.453 5.119 0 1 HKAF C[C@H](c1ccc(F)cn1)N1CCC2(CC1)O[C@@H](c1cc(Cl)ccn1)c1ccccc12 73387965 UMTQBBVFVBRUPB-WAIKUNEKSA-N 423.919 5.441 0 1 HKAF CCn1cc(C(=O)Nc2ccc(Cl)c(F)c2)c(=O)c2ccc(C(F)(F)F)cc21 84668656 ARBICOUWRQVXCF-UHFFFAOYSA-N 412.770 5.085 0 1 HKAF Cc1c(C(=O)OCc2cccc3ccccc23)oc2cccc(OC3CCNCC3)c12 95554587 IWBRNOZZXFSBFT-UHFFFAOYSA-N 415.489 5.382 0 1 HKAF CCOC(=O)c1sc2cccc(C)c2c1Nc1cc(OC)c(OC)c(OC)c1 95589777 ACMKJRSMHZSCSN-UHFFFAOYSA-N 401.484 5.156 0 1 HKAF O=C1C[C@@]2(CCCN(Cc3c[nH]c4ccccc34)C2)CCN1c1nccc2ccccc12 96173201 ACNWTJLIAHFHEQ-HHHXNRCGSA-N 424.548 5.125 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(Oc2ccccc2)c1 98176771 LBXKVIGIHUOZPR-JOCHJYFZSA-N 417.505 5.750 0 1 HKAF O=c1oc2ccccc2c2c1[C@@H]1O[C@](c3ccsc3)(Cc3c1ccc1ccccc31)O2 102846164 WSZOLPLBXAYCET-ZEQKJWHPSA-N 424.477 5.915 0 1 HKAF Cc1ccc2c(c1Br)CN1CN2Cc2c1ccc(C)c2Br 103179616 JNWQVRIIIDLOAJ-UHFFFAOYSA-N 408.137 5.126 0 1 HKAF CC1(C)CC2=Nc3nn(-c4ccccc4)c(O)c3[C@@H](c3ccc(F)cc3)C2=C(O)C1 103686733 MVWHJQWCYZAKDR-IBGZPJMESA-N 403.457 5.567 0 1 HKAF Cc1cc2c(cc1C)N[C@H](c1coc3ccccc3c1=O)C1=C(O)CC(C)(C)CC1=N2 104695710 KJRUNDDAAREGQT-XMMPIXPASA-N 414.505 6.281 0 1 HKAF CCN(CC)CCCN1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 148732925 ZHJNAQNCUSKTRA-HOIGYIGKSA-N 401.598 6.015 0 1 HKAF C=C1C=C(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)C(=O)O1 166248006 PMKFHUDSBGNHST-JDPCYWKWSA-N 420.637 8.632 0 1 HKAF C[C@H]1Cc2nn(C)c(-c3ccccc3Cl)c2-c2nc(Nc3ccccc3)ncc21 169702150 IIBCFWXFDHLVPW-AWEZNQCLSA-N 401.901 5.601 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)OCc1ccsc1 169717154 YOPBWSZRYHDZAA-AVHBIOJASA-N 400.628 7.937 0 1 HKAF Clc1c(Cl)[n+](Cc2ccc3ccccc3c2)cn1Cc1ccc2ccccc2c1 205387277 NFOVASOBSLDJCL-UHFFFAOYSA-N 418.347 6.485 0 1 HKAF CC(C)(C)c1cc2nc(-c3ccncc3)nc(NC[C@@H](N)Cc3ccccc3)c2s1 223667926 NHNGFMFKTXQYFK-SFHVURJKSA-N 417.582 5.033 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CCC2=C3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 261524091 UIPYFONRKZTOIY-ZJPBJNQTSA-N 400.691 7.779 0 1 HKAF Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2)oc1C 299879233 KKBSDQXZWOEXOL-MLCUKSTJSA-N 402.542 5.898 0 1 HKAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)cc1 586948348 NTVXQEMPNAETOM-UHFFFAOYSA-N 417.840 5.052 0 1 HKAF Cc1ccc2c3c(cc(/C=C\c4ccc(C(F)(F)F)cc4)nc13)-c1ccccc1C2=O 586994020 UOSCQDFPRJWIRX-XFXZXTDPSA-N 415.414 6.944 0 1 HKAF Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 587052156 XBHCVYQFYPSIRM-RNFRBKRXSA-N 417.521 5.952 0 1 HKAF CCc1cc(OCc2nc3c(Br)cnc(Cl)c3[nH]2)ccc1Cl 587052475 BUNNQGIQBQYLOP-UHFFFAOYSA-N 401.091 5.169 0 1 HKAF Cc1ccc2c(ccc3nc([C@@H]4[C@@H](/C=C(/Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c32)n1 587071928 NSOQTQRQTPIJKE-CAQXYLJISA-N 422.359 7.092 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](F)C[C@@H](OCc1ccccc1)C3 587104504 XKPBTLGJCNQBRR-JTSKRJEESA-N 409.460 5.988 0 1 HKAF Cc1c(-c2nc3ccc(Br)c(F)c3[nH]2)cc(-c2ccc(F)cc2)n1C 587165725 AYKJBNMSRCJRGT-UHFFFAOYSA-N 402.242 5.585 0 1 HKAF CCCOc1cc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c2cc1Br 587169979 GWHOELZKXJLRAT-LBPRGKRZSA-N 423.351 6.149 0 1 HKAF CC1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(O)ccc2O1 587348525 CZNNGMMHZNFZIZ-RDGATRHJSA-N 420.436 5.052 0 1 HKAF Cc1sc2ccccc2c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587376632 XTZOYRGUVPUSDU-NOZRDPDXSA-N 418.489 6.329 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)c(C(F)(F)F)c1)O2 587381177 GYQJULZAMCCXJN-HNNXBMFYSA-N 400.194 5.065 0 1 HKAF COc1ccc2c(c1)c([C@H]1CC(=O)c3cc(C)cc(N)c3O1)cn2C(=O)OC(C)(C)C 587392612 ZYRJGHDLFQRFIX-OAQYLSRUSA-N 422.481 5.030 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCCc3cc(Br)ccc31)CC2=O 587457124 FKWDCWUTIBOCOF-QFIPXVFZSA-N 415.327 5.694 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCC(=O)c1ccccc1)(c1ccccc1)CC2=O 587479382 DCMUNSDNKKOIHM-MHZLTWQESA-N 414.501 5.869 0 1 HKAF COC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1N1CCCCC1 587515836 WDRNYRJXBPRPHN-DEOSSOPVSA-N 419.521 5.049 0 1 HKAF C[C@]1(c2ccc(F)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545686 HECMFOQODGSQAI-GHTZIAJQSA-N 418.342 5.427 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCC(F)(F)F)cc1 587548126 NJPLTIBNUIDDPC-RXVVDRJESA-N 416.351 5.036 0 1 HKAF CCCCC[C@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577210 JQYHWQBTPVQRCG-WIOPSUGQSA-N 403.478 5.412 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)cc2)N1 587676170 CRWLHYHJZVEGRR-BMLIUANNSA-N 413.128 5.148 0 1 HKAF Cc1cc(C(F)(F)F)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587710131 FJVDDJXYHKAVQE-DYZYQPBXSA-N 402.229 5.539 0 1 HKAF CC[C@]1(c2ccc(OC(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587715631 HZLOOCDNARJCIA-NSPYISDASA-N 414.265 5.377 0 1 HKAF COc1ccc([C@@]2(C(C)(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587724093 DSQWORNZJIUPKG-LAJNKCICSA-N 424.329 5.560 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3cccc(F)c3)n2)N1 587731406 LPNXRPGNOBDGCH-YPMLDQLKSA-N 421.310 5.474 0 1 HKAF CCn1nc(CC[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587762923 HDXVLZMNPHEMPM-UGSOOPFHSA-N 416.338 5.166 0 1 HKAF Cc1cccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 587783748 GKGHUZPLUFSUJI-UHFFFAOYSA-N 404.513 6.708 0 1 HKAF CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(C)C 587797822 XLSWVEAOIJZFNC-YEJXKQKISA-N 422.338 5.398 0 1 HKAF Cc1cc(C)c2[nH]c3c(c2c1)CC[C@@]31N[C@H](C)Cc2ccc(F)c(Br)c21 587803331 PDJRWHJPXPVURS-DMZKTXOQSA-N 413.334 5.410 0 1 HKAF C/C=C/[C@]1(C2=C(C)CCCC2(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587816157 UUZQJOKOTOZCRJ-OUMSRSOVSA-N 406.383 6.420 0 1 HKAF CC(C)c1ccc([C@@]2(C(C)(C)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587826286 KGFSMVMPRCWLKU-RCDICMHDSA-N 420.366 5.260 0 1 HKAF CC(C)CSc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587841482 BCZOPKVLIJFHDD-RBZFPXEDSA-N 408.380 5.960 0 1 HKAF Cc1oc(-c2cccs2)nc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587851766 JJADWHADZVMQEH-HUTHGQBESA-N 407.308 5.237 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3c(s2)CC(C)(C)CC3)N1 587859420 WOPRNFUCNCIBIX-QGHHPUGFSA-N 409.368 5.183 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2cc(C)cc(C)c2s1 587864264 NJGGPGBPSBBBKE-UHFFFAOYSA-N 403.429 5.793 0 1 HKAF Fc1ccc2c(c1)-c1cc(n(-c3c(Br)cccc3Br)n1)O2 587871739 ARDFFCSPKRUWIP-UHFFFAOYSA-N 410.040 5.309 0 1 HKAF CCCOc1cc2nc([C@H]3C[C@]3(C)c3ccccc3OC)[nH]c2cc1Br 587931846 UCDWHTKULLOQIZ-SPLOXXLWSA-N 415.331 5.568 0 1 HKAF Cc1nnc2c3c(-c4ccccc4)c(-c4ccccc4)n(C4CCCCC4)c3ncn12 653852945 SGZXIUBUBURURN-UHFFFAOYSA-N 407.521 6.227 0 1 HKAF CC1=C(c2ccc(F)cc2)[C@@]2(NCCc3cc(C)c(F)cc32)c2ccc(O)cc2O1 962095110 VJFHDWGNIBKTQK-RUZDIDTESA-N 405.444 5.192 0 1 HKAF Fc1cccc2c1[C@]1(NCCc3cccc(-c4ccccc4)c31)c1ccccc1CC2 962665213 JOUQGSVHGOQZNF-LJAQVGFWSA-N 405.516 6.029 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2ccc(OCc3ccccc3)c(F)c2)N1 962956774 YVHTVJFEJXKKMS-DCFHFQCYSA-N 414.524 6.074 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CSc1ccccc1)c1ccc(F)cc1 963224587 DTLCCUFWYCKYSY-FNZWTVRRSA-N 405.582 6.518 0 1 HKAF O=C(OCCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)[C@H]1CN2CCC1CC2 1857552245 TZADATSLTAFDKI-NRFANRHFSA-N 419.352 5.273 0 1 HKAF CCc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2c2ccc(-c3ccccn3)cn2)o1 1857766379 NHHRBPPKGDWNCH-HHHXNRCGSA-N 420.516 5.932 0 1 HKAF CC(=CCC[C@@]1(C)CCc2cc(O)c(C)c(C)c2O1)CCC=C(C)CCC(=O)O 2356284692 QRIWRFHSVDRBRJ-VWLOTQADSA-N 400.559 6.411 0 1 HKAF CC(=CCCC(C)=CCCc1ccoc1)CCC=C1CC[C@H](O)[C@H](C)C(=O)OC1 2356446009 VRWCUJQWBMHNBO-URXFXBBRSA-N 400.559 5.926 0 1 HKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@H]([C@@H]2CC=C3C[C@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO 2356529234 YPMPBUHXNURWKY-DWINZIBRSA-N 402.619 5.316 0 1 HKAF CC(C)[C@H](C)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356530246 JVEARGBOXRHBPV-WFTYFCFESA-N 414.674 6.382 0 1 HKAF CC(C)c1ccc(C[C@@H]2C[C@H]3C(C)(C)CCC[C@@]3(C)c3cc(O)c(C(C)C)cc32)cc1 2356625065 YNDIZZUNLKBRKP-SLTKKEMYSA-N 418.665 8.453 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CCC2=C3C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 2356663750 UKAKIXQJHXUJBH-OMPTXQQOSA-N 416.646 5.539 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)NCC1c2ccccc2Oc2ccccc21 603987 ZGDVDAILXCMSFP-UHFFFAOYSA-N 414.549 6.993 0 1 HKAF O=C(NCc1ccccc1F)c1c(-c2ccccc2Cl)noc1-c1ccsc1 2481908 FAKWJOFWLVQUIA-UHFFFAOYSA-N 412.873 5.793 0 1 HKAF COc1cc(O)c2c(c1Cc1ccc(O)cc1)CCc1c-2ccc2c1CCC(C)(C)O2 14713481 QIXBWUHRQJSXBR-UHFFFAOYSA-N 416.517 5.566 0 1 HKAF biogenic COc1ccc2c(c1CC=C(C)C)O[C@@H]1c3cc4c(cc3OC[C@]21O)OC(C)(C)C=C4 15203519 KSXMILLEKYOTIP-RSXGOPAZSA-N 420.505 5.102 0 1 HKAF biogenic COC(=O)N1C[C@@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)c(Cl)c1 27523698 ICQKWAQKBISVLL-WMLDXEAASA-N 416.688 5.192 0 1 HKAF CC(C)c1cccc(C(C)C)c1N1C(=S)c2c(F)c(F)c(F)c(F)c2C1=S 27640464 VLHNOWFMGMZKJD-UHFFFAOYSA-N 411.489 6.361 0 1 HKAF C1=C(c2csc3ccccc23)C[C@@H]2CC[C@H]1N2CCOc1cccc2[nH]ccc12 28388555 OJXKZZVZQUPMPM-MOPGFXCFSA-N 400.547 6.082 0 1 HKAF O=C1Nc2ccccc2[C@H](c2ccccc2)N1C1CCN(Cc2cccs2)CC1 28568087 CZBBMHDLBCBPPI-QHCPKHFHSA-N 403.551 5.350 0 1 HKAF CC/C(=C(\c1ccc(NC(C)=O)cc1)c1ccc(ON(C)C)cc1)c1ccccc1 29250967 WUMVQBAYTCGEMB-QPLCGJKRSA-N 400.522 5.870 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C)C[C@@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 36189506 DHZJVHCWDITFSE-FXTZDZHQSA-N 401.679 6.832 0 1 HKAF O=C(NCC1CCOCC1)c1cnc(Nc2cc(Cl)ccc2Cl)cc1C1CC1 40935632 QKRGRWXDVSZBQO-UHFFFAOYSA-N 420.340 5.166 0 1 HKAF CCCc1ccc(CNC[C@@H]2CCC[C@@H](CNCc3ccc(CCC)cc3)C2)cc1 45392043 ZCZOWWVMWRDFQJ-VSGBNLITSA-N 406.658 6.277 0 1 HKAF Fc1ccc(CNc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1 82152003 JTTICWMJMWZAGQ-UHFFFAOYSA-N 423.289 5.887 0 1 HKAF O=c1c(CC[C@@H](O)c2ccc(O)cc2)coc2cccc(OCC3CCCCC3)c12 96258471 YURJXMTYTWJRMP-OAQYLSRUSA-N 408.494 5.124 0 1 HKAF COC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)cc(-c2c[n+](C)c3ccccc3n2)c1 96915135 NMYIWIZNZTTXDC-UHFFFAOYSA-N 411.525 5.477 0 1 HKAF O=C(CC1CC1)C[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 100638818 ITURBDJGZMQFOZ-BGYRXZFFSA-N 411.586 5.551 0 1 HKAF C1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@@H]1N2CCCOc1cccc2[nH]ccc12 101019784 ZWGCNJQKTLJLKQ-DQEYMECFSA-N 408.545 6.410 0 1 HKAF COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nn(-c4ccccc4)c(O)c32)cc1 103881897 XXVRTFNWJZQCND-HXUWFJFHSA-N 415.493 5.437 0 1 HKAF CC[C@@H](C)NC(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 105186332 ZSCPAAWATBNPFJ-ZUCBFVJTSA-N 420.601 5.463 0 1 HKAF O=c1[nH]c2ccc(Br)cc2c(/C=C/c2ccccn2)c1-c1cccs1 114923340 JCYAVHIMIGYNIL-BQYQJAHWSA-N 409.308 5.585 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CCC(=O)C[C@@H]1C[C@H]3O 118913634 HHVQPBXBALLUDF-XTDYQJDGSA-N 418.662 5.618 0 1 HKAF in-man O=C(OC[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc2ccccc2c1)c1ccccc1 169368776 JTWKFTQCKFYFJH-CJIKLLNKSA-N 409.529 5.563 0 1 HKAF CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2C=Cc3cn(C)cc3[C@]12C 238783005 IYASUOJSBNTBFH-SKNBCFTNSA-N 423.641 6.510 0 1 HKAF C[C@@H]1N=C2C[C@H](c3ccccc3)CC(O)=C2[C@H](c2ccc(Br)cc2)[C@@H]1C#N 299878884 JXDCNOOJZZUDON-JQCXNVTFSA-N 421.338 5.905 0 1 HKAF CC[C@H](C)NC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F 299887582 ZCUHJOCIFKATHC-ZUGPOPFOSA-N 424.564 5.294 0 1 HKAF Cc1oc2c(c1-c1nc3cc(Br)c(Br)cc3[nH]1)C(=O)CCC2 586904058 QELCKGZBEFRFFC-UHFFFAOYSA-N 424.092 5.175 0 1 HKAF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(O)cc4[nH]3)cs2)cc1 587014324 PZBHUCLHIBXRKJ-UHFFFAOYSA-N 422.510 5.330 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(-c4csc5ccc(O)cc45)[nH]c3c2)cc1 587031978 DMPQCOIZNSDJLQ-UHFFFAOYSA-N 416.458 5.729 0 1 HKAF Clc1nc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)ccc1-c1ccccc1 587083823 NTSBHWUZEBFORL-UHFFFAOYSA-N 411.892 6.524 0 1 HKAF CCc1ccc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2c1 587130109 FALJJDBOIJEAKK-UHFFFAOYSA-N 419.435 5.342 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)c(Cl)c2)cc1F 587145153 JXOURQVIFYAZQZ-UHFFFAOYSA-N 423.919 5.938 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc4c(cc3[nH]2)OCCO4)c(Cl)c1 587159693 TYTYPEDRHKOVAZ-OAQYLSRUSA-N 410.832 5.295 0 1 HKAF Cc1nc2ccccc2nc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347072 ODJNEAIKQMXUSZ-WIOPSUGQSA-N 414.436 5.057 0 1 HKAF COc1ccc(C)c2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355037 WMEXYYHSZYTECA-RSXGOPAZSA-N 418.464 5.439 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Br)c(Cl)c1)CC2=O 587456032 IZIYLDSATDHGPR-IBGZPJMESA-N 409.707 5.641 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)([C@H](O)c1ccccc1)CC2=O 587463573 VTGJGLVDGOCVCV-RPBOFIJWSA-N 422.908 5.592 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccc(F)cc1)(c1ccccc1Cl)CC2=O 587468408 UYCKGIXDDOVGHQ-RUZDIDTESA-N 424.899 6.241 0 1 HKAF COc1cc(Br)ccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587501453 ITMYKXZYBVLOOT-NRFANRHFSA-N 401.300 5.217 0 1 HKAF CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCCOC 587523850 PZMZOOFYQAVUAV-HSZRJFAPSA-N 410.510 5.086 0 1 HKAF C[C@]1(Cc2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547994 VRVYSSAWFGAEIA-SIKLNZKXSA-N 415.272 5.662 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CF)c1ccc(C(F)(F)F)cc1 587550183 UFIQPDKGEDHFOA-NQIIRXRSSA-N 418.342 5.238 0 1 HKAF CCOc1ccc2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599635 YHQHEEYXPNQXCN-JYFHCDHNSA-N 412.441 5.647 0 1 HKAF Cc1ccc(C)c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587600262 AKINFZWPDPWKJS-LBNVMWSVSA-N 422.480 5.914 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)c1ccccc1-c1ccccc12 587603631 OKWPXOCEKOCMON-KCWPFWIISA-N 420.420 5.113 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccccc2)cs1 587614324 RVPNGAZVVYDYCF-XUZZJYLKSA-N 400.455 5.824 0 1 HKAF C[C@@H]1CSc2ccc(Cl)cc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587620589 ZVAOLAKGTJSMFI-GQIHDASDSA-N 424.905 5.645 0 1 HKAF Cc1cc(C)cc(NC(=O)c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1 587625243 DBUZOXGMSVDIML-UHFFFAOYSA-N 414.349 6.383 0 1 HKAF Cc1ccc(C)c(SCc2[nH]c3cc(Cl)c(F)cc3c2-c2ccccc2F)c1 587629013 CXABAJDVFNZDEQ-UHFFFAOYSA-N 413.920 7.676 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(C)(C)C)c(Cc3ccc(Br)cc3F)c2c1 587643894 YKQUNDBUUOMTLI-AWEZNQCLSA-N 416.378 7.471 0 1 HKAF Cc1cc(Cl)cc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)nc12 587692164 AFQOVANSMGREJF-YBTHPKLGSA-N 419.725 5.722 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccccc3nc2Cl)N1 587704268 JANCUEMONLUURW-XTZNXHDOSA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)ccc(Cl)c2F)N1 587715573 IFBNYJVCEIACIE-RBHXEPJQSA-N 404.657 5.318 0 1 HKAF CC(C)[C@]1(c2cccc(Cl)c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587725925 SXMHLYDNXMEMBM-NSPYISDASA-N 414.721 5.815 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3F)o2)N1 587727597 OKGLLVWVXSHRHF-YBTHPKLGSA-N 404.254 5.611 0 1 HKAF Cc1ccc(-n2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c(C)c1 587752149 CCRDSHAPTKFRKB-OYHNWAKOSA-N 413.334 5.619 0 1 HKAF COc1cccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587758331 WPWVZCCUYDAJQM-YEJXKQKISA-N 415.306 5.011 0 1 HKAF CCC[C@H](CC1(c2nc3ccnc(OC)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782617 VQQCMDVWDCOZLS-LJQANCHMSA-N 421.541 5.328 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccccc2)N1 587809642 ARKUXNFUKGLHRP-WAIKUNEKSA-N 410.330 5.609 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC2CCCC2)(c2ccccc2)N1 587814119 GCZGQJIPIVNCNV-NYHFZMIOSA-N 402.351 5.946 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H]2C[C@@H]3C=C[C@H]2C3)N1 587817279 BFRPDXSBRHCZQC-LLZQZCDZSA-N 412.346 5.578 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(C=O)c2)(C2CCCC2)N1 587821191 TUWLFBSYWXKZSO-JLCFBVMHSA-N 416.334 5.369 0 1 HKAF CSc1ccc([C@]2(C(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587847670 VAPUJUVIYQDAGP-RBZFPXEDSA-N 408.380 5.744 0 1 HKAF CCOc1ccccc1OCC[n+]1cn(Cc2c(C)cc(C)cc2C)c2ccccc21 653866841 YOOODWSMLUKGTM-UHFFFAOYSA-N 415.557 5.380 0 1 HKAF CCCN1[C@H]([C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)c2ccccc2C[C@H]1C 963256479 CLWPPEGLISXYIH-COPCDDAFSA-N 402.623 6.104 0 1 HKAF CC(C)N1CCN([C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccn2)CC1 1857552915 SLKWFYPRHXUEKS-XMMPIXPASA-N 423.645 5.498 0 1 HKAF COc1ccc(OC)c2c1C[C@@H]1c3cc(Cc4cccc(C)c4)sc3CCN1C2 1857758484 JDWIVNPPBKXXNU-JOCHJYFZSA-N 405.563 5.320 0 1 HKAF COc1ccc(C=C[C@@H]2C[C@H](c3ccc(OC)cc3)Oc3cc(OC)ccc32)cc1 2356401132 UKDSXGUCSVQBKZ-CJFMBICVSA-N 402.490 6.033 0 1 HKAF C=CC(C)=CC=C[C@]1(C)C[C@@H](OC(=O)C(C)=CC)[C@H](OC(=O)C(C)=CC)C(C)(C)O1 2356548839 HBANHAYXQYVIAZ-TYBLODHISA-N 416.558 5.389 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)ccc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)c1O 2356747414 QNPMSYLDWCXEOI-JOCHJYFZSA-N 424.493 5.451 0 1 HKAF Cc1cc(O)cc2c1O[C@](C)(CC1=C[C@]3(C)CCC[C@@]3(C)[C@]3(C=CC(C)(C)O3)C1)CC2 2356808504 YWIBFTSPRRZAAQ-BPXGVECKSA-N 422.609 6.805 0 1 HKAF CC(C)c1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCc2ccccc2)cc1 2482959 FYAOAYNFADVRDC-UHFFFAOYSA-N 414.480 6.201 0 1 HKAF CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(CC(F)(F)F)n1 3833985 JGBWDBZICISBDK-UHFFFAOYSA-N 409.239 5.694 0 1 HKAF CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccccc2)cc1 4050606 MRCVHRWLMIBMDA-NOZRDPDXSA-N 412.533 5.392 0 1 HKAF CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(O)(c1ccccc1)c1ccccc1 5954714 JENMHGAQDBWNHC-VJGNERBWSA-N 415.577 5.289 0 1 HKAF Oc1ccc2c(c1)CCc1ccc(cc1)Oc1c(O)ccc3c1-c1cc-2c(O)cc1CC3 13384269 MCFLLKAHGNIXPF-UHFFFAOYSA-N 422.480 6.127 0 1 HKAF biogenic Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCOC[C@H]1C 13742569 DNKXOFVSVWYRKE-LJQANCHMSA-N 412.533 5.055 0 1 HKAF COc1cc2cc3c(c(O)c2c(O)c1CC=C(C)C)C(=O)C[C@](C)(OCC=C(C)C)C3 14883306 MPXSHBIHEJUKIP-AREMUKBSSA-N 424.537 5.639 0 1 HKAF biogenic CC(C)(C)c1cc(C=C2c3ccccc3C(=O)c3ccccc32)cc(C(C)(C)C)c1O 27082451 RNAUIXDYNHPKHC-UHFFFAOYSA-N 410.557 7.121 0 1 HKAF CCCN(CCC)[C@@H]1CCc2cc(CN(C(C)=O)c3ccc(OC)cc3)ccc2C1 27329030 KRBRCRMUFRFNGT-RUZDIDTESA-N 408.586 5.228 0 1 HKAF O=C(N(c1ccccc1)c1ccncc1)N(c1ccc(F)cc1)c1ccc(F)cc1 27985660 QQAMOXXGEITBHM-UHFFFAOYSA-N 401.416 6.456 0 1 HKAF O=C(c1cccc2ccccc12)c1ccc(OCCc2ccccc2)c2ccccc12 28710496 KEFJRBRIHMPGCV-UHFFFAOYSA-N 402.493 6.846 0 1 HKAF CCOC(=O)c1ccc(NCCCCCCCCCCCC2CCCCC2)cc1 29218104 AUTKSPYDOXSUSY-UHFFFAOYSA-N 401.635 7.757 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C(CCC(C(=O)O)=C4)[C@H]3CC[C@]12C)C(C)C 34307330 RCMWHBBFUREBAM-OPMJLWCUSA-N 413.602 5.586 0 1 HKAF C[C@@H](CCN1CC[C@H](NCc2ccc(-c3ccc(Cl)cc3)o2)C1)CC(C)(C)C 36351943 HVSUVGONQPOCEW-RXVVDRJESA-N 403.010 6.226 0 1 HKAF CCOP(=O)(OCC)C(CC[C@H](O)c1ccccc1)P(=O)(OCC)OCC 40465025 QICNRDPZRHFTOW-KRWDZBQOSA-N 422.395 5.359 0 1 HKAF Cc1cccc2nc(-c3ccc(-c4cccc(CN5CCC[C@@H]5CN)c4)s3)[nH]c12 45187682 WBNNWQZAGQVATB-LJQANCHMSA-N 402.567 5.190 0 1 HKAF CCO[C@@H](c1ccc(Cl)cc1)[C@@H](SC(C)(C)C)n1cnc(C(F)(F)F)c1 45366114 LWSRFXJJZKEECJ-JKSUJKDBSA-N 406.901 6.363 0 1 HKAF CCN(CC)c1ccc(Nc2cc(N(C)C(=O)Nc3ccccc3Cl)ncn2)cc1 53268189 VNHVAVYFLVFPHI-UHFFFAOYSA-N 424.936 5.388 0 1 HKAF CC(C)=CCc1c(O)c(C)cc2c1O[C@H]1c3cc4c(cc3OC[C@@H]21)OC(C)(C)C=C4 59085728 UGKOYAUMAZQEFW-CPJSRVTESA-N 404.506 6.003 0 1 HKAF biogenic CC(C)(C)c1ccc(NC(=O)c2c[nH]c3cccc(SCc4ccncc4)c23)cc1 66077814 XDQFNQWXWBMHKE-UHFFFAOYSA-N 415.562 6.405 0 1 HKAF O=C(NC1CCCCC1)c1cccc([C@@](O)(c2ccc(Cl)cc2)c2cccnc2)c1 72103839 FCXOGFCMCVWFRP-VWLOTQADSA-N 420.940 5.082 0 1 HKAF Nc1cccc(CNc2ccsc2C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 73196635 JKHQXSLSCWFWLY-UHFFFAOYSA-N 407.417 5.093 0 1 HKAF Cc1ccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3)n2)cc1 82163315 MMVCNRGWMBRQCF-UHFFFAOYSA-N 408.530 6.341 0 1 HKAF CC[C@H](C)Cn1c(C[C@@H](C)c2ccccc2)nc2c(NCc3ccccc3)ncnc21 82178631 OVMBCURBKBDTDH-VQTJNVASSA-N 413.569 5.831 0 1 HKAF CC[C@H](C)Cn1c(CCc2ccccc2)nc2c(NCc3ccc(C)cc3)ncnc21 82179312 PEQFARGGUYETAI-IBGZPJMESA-N 413.569 5.578 0 1 HKAF CC[C@@H](c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)C(=O)Nc1nccs1 96283970 BGWJZJUIEGLDRD-IBGZPJMESA-N 422.529 5.780 0 1 HKAF CCOc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1 98176754 IXHUYDMFYJGNQN-KRWDZBQOSA-N 423.431 5.246 0 1 HKAF Cc1c(CCOC(=O)C23C[C@@H]4C[C@H](CC(C)(C4)C2)C3)sc[n+]1Cc1ccccc1 100312512 NMPIQEMXHYLNAB-AGYDLCDTSA-N 410.603 5.085 0 1 HKAF CCCCCN(CCCCC)C[C@H](O)c1ccc(Br)c2ccccc12 100691699 GQBITSQBCLOZLI-QFIPXVFZSA-N 406.408 6.318 0 1 HKAF CC(C)(C)NCC1C[C@@H]2CC[C@H](C1)N2c1ncnc2scc(-c3ccccc3)c12 146471485 WRADCPXOWJTAKT-JLYLLQBASA-N 406.599 5.494 0 1 HKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)OCCc1cccs1 169306277 ZNGWAJZYXIXAAF-MLFLMRJSSA-N 414.655 7.980 0 1 HKAF C[C@@H]1[C@H]2Cc3ccc(OC(=O)c4ccccc4F)cc3[C@@]1(c1ccccc1)CCN2C 169320449 SYUBFWFBZCDVLU-ADCSMLMYSA-N 415.508 5.227 0 1 HKAF Cc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@H]32)cc1 195386323 OHYAUCCFBSIOPM-GKRYNVPLSA-N 417.577 7.725 0 1 HKAF CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CCC4=C(C(=O)O[C@H]4C)[C@@]3(C)[C@H](O)C[C@H]21 197330636 ZJHCKXNQASXDJG-NHAOYJMZSA-N 414.630 6.048 0 1 HKAF Cc1cc(CNc2c(F)ccc(OCC(=O)O)c2C)c(F)c(-c2cccc(F)c2)c1 218847150 JGSBOBVCYKVIGT-UHFFFAOYSA-N 415.411 5.463 0 1 HKAF Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2nc(C3CC3)n(C)c12 219501917 MDMMPXBYWBPZAT-UHFFFAOYSA-N 408.505 6.246 0 1 HKAF O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc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c1ccccc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586882055 IVAKZUPVZMPHJW-UHFFFAOYSA-N 410.779 5.044 0 1 HKAF CC(C)CCOc1cc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2cc1Br 586896552 TYFLQXQZKNBSOZ-UHFFFAOYSA-N 415.331 5.536 0 1 HKAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cccc(C(C)(C)C)c3[nH]2)cc1 586949122 QGRHFSFKVAFNJY-UHFFFAOYSA-N 419.550 5.637 0 1 HKAF Cc1c(Br)cc2nc(-c3cc(Br)ccc3Cl)[nH]c2c1C 586980386 QVUXBYCWICFOGP-UHFFFAOYSA-N 414.528 6.025 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(cnc3ccccc32)[nH]1 586980652 CJMXACBYUYWDPK-UHFFFAOYSA-N 403.283 5.640 0 1 HKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 587069934 MHEJIQRMMUZUBQ-MRVPVSSYSA-N 413.102 5.404 0 1 HKAF COc1ccc(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)c(C)c1 587098780 UGSNREZKXDMOSW-UHFFFAOYSA-N 423.468 5.366 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC(NNc1ccc(F)cc1)=CC3 587104913 WWYQHWZFESMTQQ-UHFFFAOYSA-N 407.448 5.185 0 1 HKAF c1ccc2c(Nc3ccc(-c4cc5c6c(cccc6n4)CC5)cc3)c3ccoc3nc2c1 587214429 ZYNXJMSAGPIXRP-UHFFFAOYSA-N 413.480 7.038 0 1 HKAF C[C@]1(C(=O)c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332713 RTOGBAAEAOLMER-REWPJTCUSA-N 410.828 5.185 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCc3c(F)ccc(Cl)c32)[C@@H]1c1ccc(F)cc1 587335720 OPSAIAQILGQJBO-NFBKMPQASA-N 412.819 5.524 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCc3c(Cl)cc(F)cc32)[C@@H]1c1ccc(F)cc1 587338604 TYJUITGEZIKMRB-FYYLOGMGSA-N 412.819 5.524 0 1 HKAF CC(C)(C)[C@@]1(Cc2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340862 UPSMBPGXTHQNIQ-DHLKQENFSA-N 405.469 5.313 0 1 HKAF C[C@@]1(c2nc3c(s2)CCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587372492 JFZGASGSHASLOW-NZQKXSOJSA-N 409.482 5.141 0 1 HKAF COCOc1cccc([C@]2(c3ccc(Cl)cc3)CC(=O)c3cc(C)cc(N)c3O2)c1 587377938 LADBIHTVQHQDMU-XMMPIXPASA-N 423.896 5.122 0 1 HKAF COCOc1cccc([C@@]2(c3cccc(Cl)c3)CC(=O)c3cc(C)cc(N)c3O2)c1 587378428 OONNUXCRKQDZQY-DEOSSOPVSA-N 423.896 5.122 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2cccs2)(C2CCCC2)[C@@H]1c1ccc(F)cc1 587378898 WTNIPJRJRGGYJT-VWNXMTODSA-N 408.494 6.037 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Oc4ccc(F)c(F)c4)cc1)[C@@H](C2)C3=O 587426386 MLUWCMQPRFRSFY-MHECFPHRSA-N 408.400 5.429 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(-c3ccccc3F)cc1)CC2=O 587468315 UAQKMSKJSSRJML-AREMUKBSSA-N 404.481 6.422 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc3c1cnn3[C@@H]1CCCCO1)CC2=O 587474571 GDJJHQBPNCOMJO-GOTSBHOMSA-N 406.482 5.100 0 1 HKAF C[C@H]1C[C@@]2(CCN1C(=O)OCc1ccccc1)CC(=O)c1ccc3c(c1O2)CCCC3 587516907 GDTQKWGGQYAIEY-QYBDOPJKSA-N 419.521 5.091 0 1 HKAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1 587524327 MMIIGDDKOVYHHG-RUZDIDTESA-N 414.501 5.860 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc2cccnc12 587552552 SHJIBJQZKUDSOC-WMZHIEFXSA-N 403.821 5.297 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccco1)c1ccc(Cl)s1 587614088 RAALWNCUXORSLY-DENIHFKCSA-N 424.861 5.606 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2cc(Cl)cc(Cl)c2)N1 587700138 LURFPUKOCMSPSU-MLCYQJTMSA-N 417.149 5.887 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cc(Cl)ncc3c2)N1 587702724 FDGZJPWGOQTTCN-OVWNDWIMSA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2C(F)(F)F)N1 587711284 JOBBZZGMEUAEQA-VPTHRUTESA-N 406.192 5.370 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OC(F)(F)F)c2)N1 587721806 QBGKTJPIMCUZBL-DYZYQPBXSA-N 418.228 5.285 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2c2ccccc2n3C)N1 587755273 HKMOYDYDDSPGRA-DMZKTXOQSA-N 413.334 5.194 0 1 HKAF CCC[C@@H](CC1(c2nc3ccc(C)nc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781243 GRQAMJUFBUSTOD-FQEVSTJZSA-N 405.542 5.628 0 1 HKAF CC(C)c1ccc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1 587806019 UKFKUTMYEZZZTG-GTJPDFRWSA-N 401.323 5.817 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C2CCCCC2)N1 587817633 CZCZCEXPPLHIJG-OYHNWAKOSA-N 402.351 5.946 0 1 HKAF CCCCc1ccc(-n2c(O)cc(-c3ccc(OC)cc3)c2O)c(Br)c1 587937975 XLOMQJNRMMAIJG-UHFFFAOYSA-N 416.315 5.669 0 1 HKAF N[C@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)CC1CCCCC1 653762237 JIZNUZZFKPAVLY-SFHVURJKSA-N 422.598 5.309 0 1 HKAF O=C(Nc1cccc(CNc2ncnc3ccccc23)c1)Nc1ccccc1Cl 653794104 OMFJHHQCVLGKGW-UHFFFAOYSA-N 403.873 5.539 0 1 HKAF COc1ccc2c(c1OC)[C@](CCc1ccccc1)(Cc1ccccc1)N(C)[C@H](C)C2 962559136 BLMGQOQFTXOMAX-PIKZIKFNSA-N 415.577 5.651 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)CCC[C@@]31c2cccc(F)c2CCN1[C@@H]1CCSC1 962713313 RGOCHZCXARLRAR-CRICUBBOSA-N 406.570 5.559 0 1 HKAF FC(F)(F)c1cccc2c1[C@@]1(CC=C(c3ccccc3)CC1)NCC21CCOCC1 962957138 NSDJRVUEQJYMDY-DEOSSOPVSA-N 413.483 5.820 0 1 HKAF Fc1ccc([C@]2(CCSc3ccccn3)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963095047 CAPIIUORBXEVDM-WIOPSUGQSA-N 422.544 5.806 0 1 HKAF CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@]12c1cccc(Br)c1CCN2C 963289258 KTCSONFMRRUJMZ-QRFQSNJMSA-N 422.407 5.158 0 1 HKAF Cc1c(Cl)c(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12 1772607616 YIBRRLAMNLXGFL-UHFFFAOYSA-N 411.929 5.088 0 1 HKAF C[C@H](C[C@@H]1CCN(C)C1=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857543970 DKYFGEOHRZFPOU-DDMWTQRYSA-N 413.646 5.431 0 1 HKAF Cc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCCCC2)c2ccccc2)cc1 1857616505 PYVQEZGYIOXZIU-UHFFFAOYSA-N 413.583 5.510 0 1 HKAF O=C(Nc1cccc(CN2CCCC2)c1)c1ccc2nc3c(c(Cl)c2c1)CCCC3 1857637187 LHUXAGFDFYSTGI-UHFFFAOYSA-N 419.956 5.615 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1O)CC2=O 2356425755 QTEIROMZFSIGNG-HSZRJFAPSA-N 424.493 5.451 0 1 HKAF C[C@H](CC(=O)O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 2356446549 MOYFRUOSASPJJM-DBHLDVCGSA-N 400.603 6.272 0 1 HKAF CCCCc1ccc(CCc2ccc(O)c(OC[C@H](NC)c3cc(C(C)C)c[nH]3)c2)o1 2356469755 ZXPMHWDBPIPKCZ-DEOSSOPVSA-N 424.585 5.904 0 1 HKAF CCCCCC=CCCC(=O)CCCCCCCCCCCCCCCC(=O)OC 2356512815 FVQRHFBXFNGYAZ-UHFFFAOYSA-N 422.694 8.497 0 1 HKAF CC(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C[C@H]5CC[C@@]43C)[C@H]12 2356581510 YDLVXIYVBHVQSY-VILHHPMYSA-N 400.691 7.469 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@@H](O)C4(C)C)CC3=CC[C@]12C 2356666352 KYXAMSIYYVIHGX-YGRFWZAUSA-N 424.713 8.255 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCCC1=CC[C@H](C2=CC(=O)O[C@H]2O)OC1 2356798406 PGGSNPKCZWHNGG-ILBGXUMGSA-N 400.559 5.703 0 1 HKAF C[C@H](c1ccccc1)N1CC[C@H]2C=CC[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]2C1=O 205705172 WOYDVEDYBWQYPL-VZVVXEKASA-N 408.929 5.081 0 3 HKAF CC[C@]12CCCN(Cc3ccccc3)[C@@H]1c1c(n(C)c3ccccc13)[C@H](C(=O)OC)C2 5549409 YFCBXMUGKAVGTO-FZBZCGEPSA-N 416.565 5.572 0 1 HKAF C[S@](=O)c1ccccc1CSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1 13474277 KRRCAAGRJZQAMA-GDLZYMKVSA-N 423.538 5.308 0 1 HKAF Cc1cccc2c1CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]2CN1CCCC1 26744206 QLBHOYNULDLWQQ-QFIPXVFZSA-N 417.380 5.066 0 1 HKAF O=C(O)c1cccc(C2=C(c3ccccc3OCc3ccc(Cl)cc3F)CCC2)c1 28819237 BHDXKCMVCKNNED-UHFFFAOYSA-N 422.883 6.851 0 1 HKAF O=CNc1cccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)c1O 29216484 HVLIPYJTCJQFOW-UHFFFAOYSA-N 417.248 5.312 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](C)CC(=O)[C@](C)(CCC(=O)O)[C@@H]3CC[C@]12C 29236366 GOSURFASCRNOMA-UYURTDPRSA-N 418.662 6.988 0 1 HKAF O=C(CCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21)NCc1ccccc1 29334698 CHVSXFYHUWFXQG-UHFFFAOYSA-N 422.937 5.566 0 1 HKAF Clc1ccc([C@@H](Cc2ccc(Br)cc2)Cn2ccnc2)c(Cl)c1 33493886 CEZHGMXBIKOTBE-AWEZNQCLSA-N 410.142 5.979 0 1 HKAF CC1=C(C(C)C)[C@H]1C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34245367 XMKPXGGZJIEBEJ-ZYQZKYFVSA-N 412.702 7.635 0 1 HKAF CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccc(Cl)cc1 40391400 SFDHXVRQXPPNGO-BSDZUQITSA-N 419.956 6.960 0 1 HKAF O=C(N[C@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1)c1ccccc1-c1ccccc1 43068566 FGPQEWJLDPWKKV-VWLOTQADSA-N 424.519 5.650 0 1 HKAF COc1ccc(-c2ccc(C(=O)N[C@@H](CCN(C)C)c3ccc(C)cc3)cc2)cc1 45289987 SYSFFUSTUVVEJW-VWLOTQADSA-N 402.538 5.093 0 1 HKAF O=C(NC1(c2ccccc2)CCC1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2O)on1 45334366 AXVNEUNFXDHDER-RTBURBONSA-N 402.494 5.127 0 1 HKAF CN(C)C(=O)c1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCC(C)(C)C(=O)O1 49033212 VVNHDCCJEFGXAR-OXZYVWHJSA-N 423.597 5.347 0 1 HKAF COc1ccc2c(c1)[C@H](C)N(c1nc(C3(c4ccc(F)cc4)CC3)nc(C)c1C)CC2 64548993 HYIFMZSRNXCUCL-SFHVURJKSA-N 417.528 5.445 0 1 HKAF FC(F)(F)Oc1ccccc1-c1ccc2nc(C3=NOC4(CCCCC4)C3)[nH]c2c1 66099326 PKPJQFZULJFUHI-UHFFFAOYSA-N 415.415 5.956 0 1 HKAF CCCC(=O)Nc1cc(-c2ccc(SC)cc2)nc(-c2ccc(SC)cc2)n1 66101045 RGTZTJMOXLTOOW-UHFFFAOYSA-N 409.580 5.993 0 1 HKAF Cc1oc(-c2cnc(NC3CCCC3)nc2-c2ccc(F)cc2)nc1-c1ccccc1 82164063 ZAWXPKSZGWIKLA-UHFFFAOYSA-N 414.484 6.268 0 1 HKAF CCC(CC)c1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1C[C@@H]1CCCO1 82188795 ZVRRCRGHGBUQKV-PXNSSMCTSA-N 407.562 5.125 0 1 HKAF O=C([C@@H](Nc1ccccc1)c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ccccc1 95601830 ONGLYJWPJGCEBN-PKTZIBPZSA-N 424.466 6.222 0 1 HKAF CC1(C)CC2=Nc3nc(SCc4ccccc4)nn3[C@H](c3cccs3)C2=C(O)C1 100704990 AQJOFCIXWXOBAC-LJQANCHMSA-N 422.579 5.940 0 1 HKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(Nc2ccc(OC(F)(F)F)cc2)nn1 103291034 VVMFCGQISNMNMC-UHFFFAOYSA-N 413.321 6.113 0 1 HKAF CCC[C@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1)CCCCC3 113124347 CSSOQTZJEXUYQZ-IBGZPJMESA-N 407.579 6.817 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCCC(=O)N1Cc1cccc(-c2ccccc2)c1 140695172 MXAFQLDZSLKFSZ-QHCPKHFHSA-N 415.533 6.015 0 1 HKAF Cc1ccc([C@H](NC(=O)c2ccc3cccnc3c2)c2ncccc2C(F)(F)F)cc1 205249216 JROKQADOWNXEPY-NRFANRHFSA-N 421.422 5.476 0 1 HKAF Cc1ccc2c(ccc3nc(C[S@@](=O)C(c4ccccc4)c4ccccc4)[nH]c32)n1 586960268 NVQWPJRJRXCYKR-SSEXGKCCSA-N 411.530 5.458 0 1 HKAF C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(O)ncnc2[nH]1 587054790 LUSWZQIFRPPJPB-JTQLQIEISA-N 417.252 5.298 0 1 HKAF CNc1cc(Cl)ccc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587066472 BZNBQDHAUQJZHG-UHFFFAOYSA-N 404.617 5.706 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(-c3c(C)cccc3-c3ccc(Cl)cc3)nc2c1 587074611 YFFGOEAVNWYKAM-UHFFFAOYSA-N 411.288 6.299 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(N4CCCCC4)c(F)c3)nc3cccc1c23 587102589 AXUFEQCQPBXSHS-UHFFFAOYSA-N 408.476 6.243 0 1 HKAF O=C(O)CSc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(F)c1 587103661 MRIBZSCKBCKNRE-UHFFFAOYSA-N 415.445 5.429 0 1 HKAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cccc(OCc3ccccc3)c2[nH]1 587112020 CTQZZZNQLZKLOB-SFHVURJKSA-N 411.427 5.403 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(Cc4c[nH]c5ccc(F)cc45)[nH]c3c2)cc1 587174050 DPCOYQFRDOENMQ-UHFFFAOYSA-N 415.424 5.353 0 1 HKAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587176036 ZPHWDGBPXOVULV-HXUWFJFHSA-N 400.457 5.005 0 1 HKAF CCC[C@H](C)CN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587343840 KVYXQMFEQIUMJG-GAJHUEQPSA-N 411.517 5.161 0 1 HKAF Cc1ccc(-c2ccc(O[C@@H](C)[C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 587401544 SGOQVNUEJRZRSB-HFJWLAOPSA-N 401.506 5.744 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1-c1cccc(C(=O)O)c1)CC2=O 587492720 YEWWGWHHSKPJTI-SANMLTNESA-N 416.473 5.591 0 1 HKAF O=C1C[C@H]([C@H]2CCCCN2C(=O)OCc2ccccc2)Oc2c1ccc1c2CCCC1 587517488 OCUOXFIXPIUEFO-ISKFKSNPSA-N 419.521 5.091 0 1 HKAF O=C1C[C@@H](c2csc(-c3ccc4c(c3)OCO4)n2)Oc2c1ccc1c2CCCC1 587535524 LUBNZWSOACVPPR-FQEVSTJZSA-N 405.475 5.124 0 1 HKAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(F)(F)F 587547882 MESYXMRNTUAPTK-WIYYLYMNSA-N 416.351 5.123 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)nc1C(F)(F)F 587556004 NDVCTIQGSYDJEG-YJBOKZPZSA-N 421.758 5.162 0 1 HKAF Cc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N)c1 587582254 ZEBUOSANIRUZJM-SQHAQQRYSA-N 423.468 5.188 0 1 HKAF Cc1ccc(OCC2CC2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587591392 GPXFHKNHTGPGEY-WIOPSUGQSA-N 402.446 5.192 0 1 HKAF CC[C@H](OC)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587596250 QCXVXQRAAAPWGR-KIVTUJJHSA-N 404.462 5.367 0 1 HKAF CCOc1ccc(-c2nn(-c3ccc(C)c(C)c3)c(=O)c3ccccc23)cc1OCC 587669765 OJVIGDDGMMHADQ-UHFFFAOYSA-N 414.505 5.467 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC(F)(F)F)c2F)N1 587722231 RVRFQWMVSOZRHM-ZKANADHPSA-N 422.191 5.250 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(F)cc2)N1 587734489 NTAPJVQLUSCBQC-FKIZINRSSA-N 403.270 5.142 0 1 HKAF CCOc1cc(-c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)ccc1C 587778047 IEEANUDBKSTTKO-UHFFFAOYSA-N 419.456 5.606 0 1 HKAF Brc1ccc(Br)c2[nH]c(COC/C=C\c3ccccc3)nc12 587781615 XOQRZUMFHPDGNU-DAXSKMNVSA-N 422.120 5.318 0 1 HKAF Oc1ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2c1 587784280 OKVOVRDDOBQGHM-UHFFFAOYSA-N 406.485 6.105 0 1 HKAF Cc1cc(-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)ccc1F 587923090 NQNWUSCRRRXMRD-UHFFFAOYSA-N 402.469 7.212 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c(O)c2)cc1OC 587927592 RZOFVSDXYWFFEQ-UHFFFAOYSA-N 415.276 5.927 0 1 HKAF Cc1ccc2c(c1)[C@]1(C(=O)[C@@H](c3ccccc3)O2)c2ccc(F)cc2C[C@@H]2CCCN21 963094715 CWULNNIMENYMCM-BBVXACFBSA-N 413.492 5.101 0 1 HKAF CC(C)=CCc1c(O)c(CC=C(C)C)c2oc(-c3ccc(O)cc3)cc(=O)c2c1O 1772570730 DUCNEDHXEBQGLC-UHFFFAOYSA-N 406.478 5.594 0 1 HKAF CC(=O)c1ccc2c([C@H](CC(F)(F)F)c3cccs3)c(-c3ccccc3)[nH]c2c1 1857555941 UZFCNEJFWRYDPS-GOSISDBHSA-N 413.464 7.183 0 1 HKAF Cc1nc2c(oc3nc(-c4ccccc4)cc(C(F)(F)F)c32)c(=O)n1C1CCCC1 1857751279 KFDNCTTUCPSANX-UHFFFAOYSA-N 413.399 5.647 0 1 HKAF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CCC[C@H](C)CCC[C@H](C)CCC(=O)O)O2 2356284506 FKTCHXAVPYGOSM-ZENTWMBTSA-N 418.618 6.879 0 1 HKAF CC(C)[C@H](CCO)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2356347033 IJSLGIMUXIRGLK-ULJYKJAHSA-N 416.734 8.106 0 1 HKAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@]2(C)C[C@@](C)(CC(=O)O)CC[C@]12C 2356418106 XITMKRWCQMSXKM-JRZITQBESA-N 402.619 6.496 0 1 HKAF COc1cc2c(c(O)c1CC=C(C)C)C[C@H](c1ccc(O)c(C=CC(C)C)c1O)CO2 2356667098 HWJXKLRHGKKFBY-KRWDZBQOSA-N 424.537 5.709 0 1 HKAF COc1c(CC=C(C)C)c(O)cc2c1[C@H]1Oc3c(CC=C(C)C)cccc3[C@]1(O)CO2 2356684567 RVMXTZWFKVXQMJ-CLJLJLNGSA-N 422.521 5.132 0 1 HKAF CC=C[C@@H](O)[C@H](C)C=C(C)C=CCC(C)=CCc1nc(OC)c(OC)c(O)c1C 2356807169 WFEFGXNOSOLREF-WIYYLYMNSA-N 401.547 5.067 0 1 HKAF CC(C)Oc1ccc(CN2CC[C@]2(C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 61897278 QGOXBZPVXWEERZ-OAQYLSRUSA-N 407.341 5.384 0 3 HKAF O=c1ncn2nc(Sc3ccccc3)ccc2c1-c1ccc(Cl)cc1Cl 2004433 LNTUICABIFIINZ-UHFFFAOYSA-N 400.290 5.215 0 1 HKAF CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCc1ccc(OCC)cc1 4274701 WJBOEGPDLZEEAW-DHIUTWEWSA-N 412.530 5.051 0 1 HKAF CCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(CC)nc12 13553401 KFDFFNFTGSLBLC-UHFFFAOYSA-N 417.384 6.360 0 1 HKAF CCCS(=O)(=O)Nc1ccc2nc(Cc3ccc(Oc4ccccc4)cc3)[nH]c2c1 13560448 VMDNPCGEYKIKIT-UHFFFAOYSA-N 421.522 5.098 0 1 HKAF C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(F)cc1 13560778 LMWKGVHGBOZNCF-VJTSUQJLSA-N 406.476 5.630 0 1 HKAF CCCC[C@H]1c2c(nc3ccccc3c2-c2ccccc2)C(=O)N1Cc1ccccc1 13765025 XHACLXKNCUGNGZ-DEOSSOPVSA-N 406.529 6.789 0 1 HKAF O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3ccc(O)cc3)c2)c(Cl)c1 14969256 DBSWHCJBBYJIJU-UHFFFAOYSA-N 405.233 5.491 0 1 HKAF CCN(CC)C(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3C)c2cccc(OC)c2)cc1 26189727 ABBSYOBLSNKXQO-PSWAGMNNSA-N 418.581 5.236 0 1 HKAF CC(C)=C(c1cc(Cl)ccc1OCCCOc1ccc(Cl)cc1)n1ccnc1 28765991 IWKXCFWFBCOZNN-UHFFFAOYSA-N 417.336 6.337 0 1 HKAF O=C(O)c1ccc(NCCCCCCCCCCNc2ccc(C(=O)O)cc2)cc1 29217188 BXVRSGSYYJBVRM-UHFFFAOYSA-N 412.530 5.728 0 1 HKAF O=C(Nc1sc(-c2ccccc2)nc1-c1ccccc1)c1ccccc1C(F)(F)F 35271269 RJEOVNQQDXNQQN-UHFFFAOYSA-N 424.447 6.748 0 1 HKAF O=C(O)c1cc(-n2c3c(c(-c4ccccc4)c2-c2ccccc2)CCCC3)ccc1O 39194378 JVASPSRVYWCHNR-UHFFFAOYSA-N 409.485 6.094 0 1 HKAF c1ccc(OCCCOc2cccc(-c3cc4cc(C5=NCCN5)ccc4o3)c2)cc1 43120046 IFSSISMVZUVFGW-UHFFFAOYSA-N 412.489 5.298 0 1 HKAF CCCOc1ccc(Oc2ccc(-c3ccc([C@@H](C)NC(=O)CC)cc3)cc2)cc1 45245590 ZUEHUXGLIMQQDX-LJQANCHMSA-N 403.522 6.522 0 1 HKAF Cc1cccc2nc(-c3ccc(-c4cccc(NC(=O)c5cncn5C)c4)s3)[nH]c12 45301210 YKCPROQSWNMETM-UHFFFAOYSA-N 413.506 5.253 0 1 HKAF O=C(O)CCCC[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 49018132 CXIKGNQQHDCIPP-HSZRJFAPSA-N 414.933 5.551 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/COCc1cn(-c2cccc(C(=O)O)c2)nn1 66066625 RZJDCOVPFCXEAE-SKVGTYKASA-N 423.557 5.901 0 1 HKAF COc1ccc(OC)c(CCNc2cc(Oc3cccc4ccccc34)ncn2)c1 82067685 SJUKOBQLJRJSFA-UHFFFAOYSA-N 401.466 5.094 0 1 HKAF C[C@H]1C[C@@H](Nc2cncc(Oc3cccc(Nc4ccccc4)c3)n2)CC(C)(C)C1 82068719 CCQRDDOOHJWTQE-GHTZIAJQSA-N 402.542 6.639 0 1 HKAF O=C(NCc1ccccc1)c1cnc(NCC2CCCCC2)nc1-c1ccc(F)cc1 82140632 JTQIGQNUKHNCCC-UHFFFAOYSA-N 418.516 5.205 0 1 HKAF Cc1nc(-c2cnc(NC3CCCC3)nc2-c2ccc(-c3ccccc3)cc2)oc1C 82176280 MCRWISHFPGMNKD-UHFFFAOYSA-N 410.521 6.437 0 1 HKAF Cc1cnc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccc(-c3ccccc3)cc2)o1 82176566 KZVLRXPUXCMBOV-NRFANRHFSA-N 412.493 5.365 0 1 HKAF CC/C=C\C/C=C\C/C=C\CCCCCCCCOCC(=O)COP(=O)(O)O 96095602 XPPNSIXWMCDITM-PDBXOOCHSA-N 416.495 5.271 0 1 HKAF in-vitro CN1[C@H]2CC[C@H]1CC(O[C@H](c1ccc(F)cc1)c1ccc(Br)cc1)C2 100834193 UYDBIVZVAQJVFB-ZJOUEHCJSA-N 404.323 5.319 0 1 HKAF Clc1ccc(C2=C[C@H]3CC[C@H](C2)N3CCOc2cccc3[nH]ccc23)cc1Cl 101017583 VQOZKEVLIXCLAX-QZTJIDSGSA-N 413.348 6.174 0 1 HKAF O[C@H](c1ccc(-c2ccccc2F)cc1)c1cc2cc(-c3ccccc3F)ccc2o1 103192455 XOTBISYGTAMUJA-HHHXNRCGSA-N 412.435 7.127 0 1 HKAF O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(-c2cccc3cccnc23)c1 113795965 XUHZPZFOUUUAIT-UHFFFAOYSA-N 402.837 5.506 0 1 HKAF O=S(=O)(c1cccc(F)c1)c1cnc2c(F)cccc2c1-c1ccc(Cl)cc1 115917503 VTESOJYPPGQZLJ-UHFFFAOYSA-N 415.848 5.666 0 1 HKAF CCCCCCCCS(=O)(=O)Nc1cc(-c2cccc(F)c2)ccc1C(=O)O 143778812 NQFCORWYHGMNLZ-UHFFFAOYSA-N 407.507 5.293 0 1 HKAF CC(C)(C)C1=NN(c2ccc(C(=O)O)cc2)[C@H](c2ccc(Br)cc2)C1 203853870 CEUNDWNTJHBJOM-KRWDZBQOSA-N 401.304 5.501 0 1 HKAF Clc1cnc(NCc2ccccc2)cc1-c1ccnc2[nH]c([C@@H]3CCCNC3)cc12 226070163 XBKPRPGASQVDIS-QGZVFWFLSA-N 417.944 5.357 0 1 HKAF C/C=C(\C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255235263 MMFZLVUIFVOBLE-QZTRRJGLSA-N 412.702 7.945 0 1 HKAF CC(C)CCOc1ccc(Br)cc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 586981305 HBWDGMZABUPOFB-UHFFFAOYSA-N 421.266 5.255 0 1 HKAF CCOc1cccc2cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)oc12 586992278 UBYNIPORNIWPON-UHFFFAOYSA-N 407.425 5.964 0 1 HKAF Cc1ccc2c3c(c(CC(=O)O)c(-c4ccc(F)cc4F)nc13)-c1ccccc1C2=O 586995433 KGRUNTWQLWOTKV-UHFFFAOYSA-N 415.395 5.327 0 1 HKAF Brc1c[nH]c2nccc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c12 587004276 SITCNXMFTUEXKK-UHFFFAOYSA-N 405.255 5.661 0 1 HKAF Fc1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1Br 587013325 UROCFBRYRKLUFN-UHFFFAOYSA-N 417.101 5.228 0 1 HKAF FC(F)(F)c1cc(Br)cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 587022982 BEMNPPSIHNUUTA-UHFFFAOYSA-N 424.245 6.135 0 1 HKAF Nc1ccc(-c2ccc3nc(Cc4ccc(-c5ccccc5Cl)cc4)[nH]c3c2)cc1N 587063117 PFFAMRIYHWNWKG-UHFFFAOYSA-N 424.935 6.306 0 1 HKAF Fc1cc(Cl)cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587069176 HEHSBIHJJBHMKE-ATVHPVEESA-N 411.307 7.182 0 1 HKAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc3cn[nH]c3cc2[nH]1 587121640 IXHRHTIKBAGITP-UHFFFAOYSA-N 415.400 5.437 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCc3c2[nH]c2ccc(F)cc32)[C@H]1c1ccc(F)cc1 587329088 CFKDOZYUXCGQSH-DHLKQENFSA-N 417.411 5.352 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccnc2)[C@@H]1c1ccc(F)cc1 587337227 LWKCPWGXMYPCGW-RSXGOPAZSA-N 411.432 5.229 0 1 HKAF CC(C)(C)C[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338083 SVTNLSSUAOSHLB-BVAGGSTKSA-N 422.471 6.361 0 1 HKAF CC(=O)c1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)nc1C 587341294 VXKUAFLKBNRHMM-ZCYQVOJMSA-N 419.452 5.020 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]2OCc2ccccc2)[C@@H]1c1ccc(F)cc1 587356353 QERQUKIUZVXRKY-ARNLJNQMSA-N 404.437 5.008 0 1 HKAF CCOc1cccc(O)c1-c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587361790 AUMFLOVCBZRRIM-UHFFFAOYSA-N 411.457 6.428 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(c1ccccc1C)O2 587372797 RHATUXBOXZIGGR-HSZRJFAPSA-N 422.322 5.557 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Oc4ccc(F)cc4Cl)cc1)[C@@H](C2)C3=O 587427000 FURQBCVQOWCCPC-MHECFPHRSA-N 424.855 5.943 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(-c4cc(C)ccc4C)[nH]c4ccccc14)[C@@H](C2)C3=O 587437710 JIHKXRWVSYNYTH-CCLHPLFOSA-N 409.485 5.949 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1cc(Cl)ccc1Cl)([C@H]1CCOC1)CC2=O 587461718 LXCDIQBOJLIQMI-WHEQGISXSA-N 421.320 5.549 0 1 HKAF C[C@]1(c2c(F)cc(Br)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587502143 CXBSQABQIFUTJM-HXUWFJFHSA-N 407.254 5.487 0 1 HKAF O=C1C[C@@](CC2CC2)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 587503551 ORWYHSCJNJWFED-QHCPKHFHSA-N 411.339 5.989 0 1 HKAF CCOC(=O)[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587508475 OZAPIOHQEDUOFB-QFIPXVFZSA-N 418.411 5.008 0 1 HKAF Cc1ccc([C@]2(c3ccc(Cl)c(N)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587509614 VLIJTSSHWZPECW-SANMLTNESA-N 417.936 6.018 0 1 HKAF Cc1ccc(-c2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c(Cl)c1 587509796 XIRHAODFTPKYLN-HHHXNRCGSA-N 416.948 7.075 0 1 HKAF C[C@]1(c2ccc(S(=O)(=O)C3CCCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587534381 ZUIRGYWWSHBIAM-RUZDIDTESA-N 424.562 5.162 0 1 HKAF CCCOc1c(C)cc(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593109 CESOBFFVVACQAA-OFVILXPXSA-N 404.462 5.501 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCNc3ccc(Cl)cc32)N1 587692200 AWPSCJHBDHRSAP-WLRWDXFRSA-N 409.730 5.225 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(Cl)c(Cl)cc32)N1 587695678 JDHJRRCYRUMATK-DYBLOJMWSA-N 415.133 5.619 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C(F)(F)Cl)N1 587707487 WCOPKAUAASXKJN-MGPLVRAMSA-N 404.657 5.198 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(-c3cccs3)c2)N1 587716673 JPIOSGUNJPMYKV-YBTHPKLGSA-N 420.322 6.079 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)ccc(F)c2Cl)N1 587719174 KPZMKDUSZHTTDQ-CQLKUDPESA-N 421.112 5.832 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCCC(=O)Cc2ccc(F)cc2)N1 587729198 CIXRUDMTORXIAU-ASSNKEHSSA-N 422.313 5.285 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccsc3)s2)N1 587854667 RVOZQTOEYSDKFX-FVMDXXJSSA-N 409.349 5.397 0 1 HKAF CCCOc1ccc(-c2nc(-c3ccc(N(CC)S(C)(=O)=O)cc3)cs2)cc1 587922603 FQRYGWIVUAMBAO-UHFFFAOYSA-N 416.568 5.052 0 1 HKAF CCCOc1cc2nc([C@H]3CCc4ccc(OC)cc4C3)[nH]c2cc1Br 587935981 XYULBYWIAMPJKR-AWEZNQCLSA-N 415.331 5.395 0 1 HKAF Oc1ccc(OCCCc2ccccc2)n1CC[C@H](c1ccc(F)cc1)c1ccco1 587945231 KSYRYQWCFZILOC-HSZRJFAPSA-N 419.496 6.160 0 1 HKAF Clc1cc(Br)c2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc2c1 587954666 AIUJSVHKENCYSR-KRWDZBQOSA-N 411.730 6.353 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3ccccc3)c2)cc(-c2ccc3occ(C)c3c2)n1 653677651 AKJSJAUOTQALPS-IBGZPJMESA-N 419.528 7.347 0 1 HKAF COc1cc(C)c(-c2ccc([C@@H]3c4c(ccc(OC)c4OC)C[C@@H](C)N3C)s2)cn1 962572090 PPJRPEOFIPQPER-IQMFZBJNSA-N 424.566 5.110 0 1 HKAF Fc1cc(CC[C@@]2(C3CC3)NCCc3cccc(-c4ccccc4)c32)cc(F)c1F 962663955 HLAMYUZWBIHBET-SANMLTNESA-N 407.479 6.155 0 1 HKAF CSc1ccc([C@@]2(C3CCCC3)c3cccc(Br)c3CCN2C)cc1 963269487 JUXCDFSPGAIJGW-QFIPXVFZSA-N 416.428 6.093 0 1 HKAF CC[C@H](C)Oc1c(OC)cccc1[C@H]1c2cccc(Br)c2CCN1C 963278563 BQVLARMBZYAAJE-VBKZILBWSA-N 404.348 5.212 0 1 HKAF c1ccc2c3c([nH]c2c1)[C@H](c1ccc([C@H]2NCCc4c2[nH]c2ccccc42)cc1)NCC3 1772626404 GJTGJNVSYAVKRP-WMPKNSHKSA-N 418.544 5.119 0 1 HKAF COc1ccc(-c2cnc3cnc(-c4ccc(CNc5ccccc5)cc4)cn23)cn1 1857603222 SFFLAMTVIPKXGB-UHFFFAOYSA-N 407.477 5.079 0 1 HKAF COc1ccc(N2C(=N)[C@H](c3nc4ccccc4s3)C(=O)[C@@H]2c2ccccc2)cc1 1857621295 GATJXWISFAKGAK-RTWAWAEBSA-N 413.502 5.196 0 1 HKAF O=C(O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)Sc1cc(Cl)ccc1N3 1857628882 WSGKYWVPFLTCHG-UHFFFAOYSA-N 402.834 5.035 0 1 HKAF CC1=C[C@H](CNCc2ccccc2F)[C@@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 2356287876 QYZLKNCISDIAQO-YTFSRNRJSA-N 419.588 6.197 0 1 HKAF CC(C=CC[C@H](C)C=C1OC(=O)C(C)=C1O)=CCCc1cocc1Cc1ccoc1 2356303433 UZEHIPVLZKLSFW-SFHVURJKSA-N 408.494 6.197 0 1 HKAF CC=C(C)C(=O)O[C@@](C)(CC1CCCCC1)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 2356315748 JDNYBHFWAQXRBT-RDGATRHJSA-N 410.510 5.335 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC[C@@]12C 2356416631 AGVCHWQWQGSFDP-CDBPUSHTSA-N 410.686 7.721 0 1 HKAF C[C@H]([C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@]35CC[C@]12C)N(C)C 2356422675 RJNWIZNQHVCLDL-UMASZPIUSA-N 414.722 6.306 0 1 HKAF COc1ccc([C@H]2CC(=O)c3c(cc(O)c(CC=C(C)CCC=C(C)C)c3O)O2)cc1 2356605590 LKAFYCSXBIOTDY-HSZRJFAPSA-N 422.521 6.048 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)CCC=C(C)C)c3O2)cc1 2356624836 QCPWUZAGZXPQEF-DEOSSOPVSA-N 422.521 6.048 0 1 HKAF C[C@]1(c2nnc(-c3cccc(Cl)c3)o2)CC(c2ccc(Br)cc2)=NO1 12477164 MWWNHJKMYNUHFA-GOSISDBHSA-N 418.678 5.192 0 3 HKAF COc1ccc(-c2sc(Nc3ccccc3)n[n+]2-c2ccc(F)cc2)c(C)c1C 15936844 QEVUSVUQEIZPJM-UHFFFAOYSA-N 406.506 5.595 0 3 HKAF COc1ccccc1Cc1c(-c2cccc(Br)c2)nc2ccc(C)cn12 199364152 FZBSHOFSRIAHNJ-UHFFFAOYSA-N 407.311 5.672 0 3 HKAF COc1cc(OC)c2c(c1)[C@H](CCCCCCCCCC(=O)CCC(C)=O)OC2=O 3825934 WRMILDYGWKMWBP-NRFANRHFSA-N 418.530 5.365 0 1 HKAF biogenic CCCC(=O)Nc1cccc([C@@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 13744261 HSTMXQZXKCTWOS-QFIPXVFZSA-N 409.526 5.285 0 1 HKAF O=c1oc(CCCCCCCCCCCCc2ccccc2)cc2cccc(O)c12 14503440 OROKBQHVNUEULK-UHFFFAOYSA-N 406.566 7.185 0 1 HKAF biogenic COc1ccc(CN2CCCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 28391840 NIYZYMGJKBBGFC-UHFFFAOYSA-N 414.593 5.425 0 1 HKAF O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1Cc2ccccc2C1 28826675 PXTJWGNBMUJFGB-UHFFFAOYSA-N 400.356 5.407 0 1 HKAF CC(C)(O)C(F)(F)C/C=C\[C@@]1(C)CC[C@@H](/C=C/C=C2C[C@@H](O)C[C@H](O)C2)C1(C)C 29390628 WBMNJBVGRPUTMJ-OTTMMXHBSA-N 412.561 5.170 0 1 HKAF CSc1nc(-c2ccnc(N[C@H](C)C3CCCCC3)c2)c(-c2ccc(F)cc2)[nH]1 40934336 CWKBMMKCFAOXDL-OAHLLOKOSA-N 410.562 6.380 0 1 HKAF CC(=O)c1c(Nc2cc(C)ccc2F)[nH]c2c(Cl)ccc(C(F)(F)F)c2c1=O 40952286 IRBZDQJAWPDOMD-UHFFFAOYSA-N 412.770 5.594 0 1 HKAF Cc1ccc(NC(=O)c2ccc(CN3CCCN(CCC(C)C)CC3)cc2)cc1C 45228591 KPKZVDHSLMRBTA-UHFFFAOYSA-N 407.602 5.110 0 1 HKAF CSC1=NC(C)(C)C[C@]2(C[C@H](c3ccc(C)cc3)c3cc(Cl)c(O)cc3O2)N1 45300436 YCTHDYRROCDDSR-OPAMFIHVSA-N 416.974 5.456 0 1 HKAF CCCN1CCN(Cc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)cc2)CC1 45301646 RONBKNJHZWLTMV-UHFFFAOYSA-N 416.594 5.486 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1C[C@H](O)C2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 45374428 MMVSNLKSAHIETF-HAPVDJJQSA-N 408.626 6.430 0 1 HKAF Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccccc3)c(-c3ccc(Cl)cc3)c12 45388114 FBOQCJMDPDLJNO-UHFFFAOYSA-N 414.844 6.399 0 1 HKAF Clc1ccc([C@H](c2ccccc2)N2CCN([C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)cc1 58558432 BEMCBSQBMKYLNS-PQHLUEJDSA-N 423.044 6.406 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]12C 59588956 OORMXZNMRWBSTK-LGFJJATJSA-N 414.762 9.524 0 1 HKAF in-vitro CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CCCC(C)(C)[C@H]1CC4 70451138 ZJFCFQZUMBQPHL-KVRAXFESSA-N 410.730 9.342 0 1 HKAF biogenic,in-vitro Nc1nc(Nc2ccc(Cl)cc2F)c2cc(Cc3cccc4ccccc34)[nH]c2n1 73197910 PRZWTILSLPADKE-UHFFFAOYSA-N 417.875 5.820 0 1 HKAF Cc1cnc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccc(-c3ccccc3)cc2)o1 82176359 CYJMTRORYIIMNU-MHECFPHRSA-N 424.548 6.765 0 1 HKAF O=C(N[C@H]1CCN(Cc2ccsc2)C1)c1sccc1-c1cccc(Cl)c1 84688988 CKLIORTZTRJRLV-KRWDZBQOSA-N 402.972 5.134 0 1 HKAF CC1(C)CCc2sc(NC(=O)c3ccccc3Cl)c(C(=O)NCC3CC3)c21 95563283 FICZWEWNSVCQDH-UHFFFAOYSA-N 402.947 5.017 0 1 HKAF O=C(Nc1cccc(OCc2cccc(Cl)c2)c1)C1CCN(c2ccncc2)CC1 96285763 UOYILOZDKHGGHD-UHFFFAOYSA-N 421.928 5.169 0 1 HKAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3ccc(-c4ccccc4)cc3CC[C@H]21 117623438 AYDIVSRNJATBLH-JYFHCDHNSA-N 407.517 5.565 0 1 HKAF COc1ccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1 149336198 CVWSZBPWFKTHJY-UHFFFAOYSA-N 415.923 5.458 0 1 HKAF O=C1C[C@@H](c2ccc(Cl)cc2Cl)C[C@H]2Sc3ccc(Cl)cc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c1ccccc1)\c1ccccc1 299848890 OPGBFZHYHPIEJO-PUYKENDFSA-N 413.609 6.159 0 1 HKAF Cc1nnsc1C(=O)NC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21 473087079 JSIVJJLXJRUBSA-NKKJXINNSA-N 411.615 5.410 0 1 HKAF Cc1c(Br)cc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2c1C 586895102 OUHWIRJJMYTLRN-UHFFFAOYSA-N 407.311 5.769 0 1 HKAF O=C1c2ccccc2-c2cc(CCc3ccc(OC(F)F)cc3)nc3ccc(O)c1c23 586986580 NJYRAUUNCFHYIV-UHFFFAOYSA-N 417.411 5.538 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cnc(C(F)(F)F)cc4[nH]3)c21 587030663 IJDBSPBIPGWVRL-LLVKDONJSA-N 402.445 5.936 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cccc(C(F)(F)F)c4[nH]3)c2)c1 587049883 NBALGFQAQYSKHS-UHFFFAOYSA-N 400.787 6.382 0 1 HKAF Cc1cc(-c2nc3c(C)ccc(C)c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587057911 ADJKTHCMSFZFTF-UHFFFAOYSA-N 415.928 5.910 0 1 HKAF CC(C)(C)c1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587070115 RRMYLXKDKLMEFZ-HEHNFIMWSA-N 414.980 7.687 0 1 HKAF FC(F)(F)C(F)(F)c1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cn1 587080714 OSTPINGXSMMDOS-UHFFFAOYSA-N 400.738 5.268 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc2c1 587092782 HDIVEDALVQEJMZ-UHFFFAOYSA-N 422.712 5.708 0 1 HKAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587108904 INKWMXYBQVVCMB-UHFFFAOYSA-N 412.367 5.526 0 1 HKAF COc1cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2cc1Cl 587126174 WSKVTYLFSOVBDY-UHFFFAOYSA-N 402.825 5.557 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c(F)c2)c(F)c1 587148410 GMURXNQJTFKVJG-UHFFFAOYSA-N 406.219 5.886 0 1 HKAF CC[C@@H](Oc1ccccc1F)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587156227 QUFAGNIPRARAPR-LJQANCHMSA-N 403.482 6.509 0 1 HKAF COc1cccc(-c2cc(F)cc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c2)c1 587159983 AKFFDCYPMNYMON-UHFFFAOYSA-N 404.338 6.203 0 1 HKAF C[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326179 BAVVMBBTTAZGNN-IFMALSPDSA-N 416.370 5.824 0 1 HKAF C[C@@H]1Cc2cc(Cl)ccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587331433 POXIEUSILHKVHB-HSJHCEBHSA-N 408.856 5.631 0 1 HKAF COCOc1ccc([C@@]2(c3cccc(Cl)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587379096 SIWUIQAOAVINLW-XMMPIXPASA-N 423.896 5.122 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(-c3ccccc3Br)n1)O2 587411087 AVWYTABDKOZNMZ-KRWDZBQOSA-N 415.312 5.170 0 1 HKAF CCc1oc2ccccc2c1[C@@]1(c2ccc(O)cc2)CC(=O)c2cc(C)cc(N)c2O1 587413612 SQHZJXOHTRTLMB-SANMLTNESA-N 413.473 5.500 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccccc1-c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587420138 DRIQZMOLAUPWPN-WMZHIEFXSA-N 410.391 5.870 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccccc3)c(OC)c1)CC2=O 587480241 OBFWSGBKUUPLFK-DEOSSOPVSA-N 418.489 5.639 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc3ccccc3n1)CC2=O 587488879 KSZXYIBDVBFFDO-HHHXNRCGSA-N 409.485 5.802 0 1 HKAF O=C1C[C@H](c2cc(F)ccc2Oc2ccc(F)cc2F)Oc2c1ccc1c2CCCC1 587509533 ZOOMMAGLCUDQCK-XMMPIXPASA-N 424.418 6.482 0 1 HKAF COc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(C(C)(C)C)cc1C(C)(C)C 587524241 KWHMPAKEYHADTK-DEOSSOPVSA-N 420.593 6.876 0 1 HKAF CC(C)(C)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c(C(C)(C)C)c1 587532225 JSYCQEGNGQOOQH-QHCPKHFHSA-N 406.566 6.573 0 1 HKAF COc1cc(C)c(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)cn1 587533195 UZJOJAAZYZCRBM-HXUWFJFHSA-N 405.519 5.712 0 1 HKAF C[C@]1(c2cc(Cl)c(N)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545279 OOGBWNMUXGEYOS-DYESRHJHSA-N 416.260 5.158 0 1 HKAF C[C@]1(c2cc(F)c(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553384 APSKXEVPGZBGHK-GHTZIAJQSA-N 419.235 5.715 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccccc2)nc1 587588206 PMXASWQKHNNZGV-RDGATRHJSA-N 411.413 5.282 0 1 HKAF Cc1ccc(-c2cncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 587588582 TYIKCSFSVBUHRO-ZEQKJWHPSA-N 409.441 5.466 0 1 HKAF Cc1ccc(-c2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1 587611341 IBXOWHGPKJPJKH-NZQKXSOJSA-N 415.470 5.527 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1Cl 587696430 UIIDPFGRYGZOPM-XYZCENFISA-N 403.122 5.827 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)c(F)c2)(C(F)(F)F)N1 587710929 VLEALMYLLCNIKY-PWJLMRLQSA-N 424.182 5.207 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C[C@@H](C)c2cn(C)c3ccccc23)N1 587760661 ZSNNPVBZFUMEKF-YPENRWOSSA-N 415.350 5.849 0 1 HKAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587782250 KIGHMVOXXMFZQO-UHFFFAOYSA-N 402.347 5.672 0 1 HKAF CCC[C@H](CC1(c2nc3cc(N)c(N)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782291 RTGHRZZKZXLKFF-GOSISDBHSA-N 420.557 5.089 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)[C@@]1(CCC3)N[C@H](C)Cc2cc(Br)c(F)cc21 587805193 SILVAHWVDKRRMB-DMZKTXOQSA-N 413.334 5.492 0 1 HKAF CC1=C[C@]2(C[C@H](c3ccccc3)C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587816720 BZUJGEXPZSCXNB-YBOAYWMSSA-N 400.335 5.842 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C2CCCCC2)N1 587817632 CZCZCEXPPLHIJG-NYHFZMIOSA-N 402.351 5.946 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2C[C@@H]3C=C[C@H]2C3)N1 587821225 TZJDUWGPHISWKJ-QOCAEVSFSA-N 412.346 5.578 0 1 HKAF Cc1ccc2c(c1C)OCCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587832268 BEUHPSAKXJAXCL-YEJXKQKISA-N 404.323 5.155 0 1 HKAF O=C(c1ccc(COc2ccc(F)cc2F)o1)n1nc2cc1Oc1ccc(F)cc1-2 587873948 MXGGENUVWHNVSL-UHFFFAOYSA-N 412.323 4.934 0 1 HKAF CC(=O)c1ccc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2c1 587949692 YGPDVMJFRILEDJ-LNZPYGSCSA-N 418.537 6.050 0 1 HKAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(Oc5ccccc5)cc4[nH]1)(C3)C2 587951759 ZZIQLVPASQPGLV-FLCJAFJVSA-N 402.494 5.509 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccnc(N)c2[nH]1 587958168 BFFRMQOVKBDPID-WWMAXSSBSA-N 418.629 7.394 0 1 HKAF CC(C)(C)NS(=O)(=O)c1ccc(NC2CCCCC2)c(NCc2ccccc2)c1 653733782 SLSGRHVSXDADHU-UHFFFAOYSA-N 415.603 5.120 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@]1(c1cc(Cl)cc(Cl)c1)C1CC1 962375046 RJKLGHFFVQBTKT-JOCHJYFZSA-N 417.405 6.105 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCc2ccccc2)(c2ccccc2Cl)N1 962941807 FDBXDOJCUNWYKO-CCLHPLFOSA-N 414.980 6.622 0 1 HKAF CCCC[C@@]1(c2cccs2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962962784 VABWHCISQODKQW-OAQYLSRUSA-N 409.517 5.852 0 1 HKAF COc1cccc2cc3c(nc12)[C@@](c1cccc2ccccc12)(C(F)(F)F)NCC3 963058024 QBJCNJWDBYMAPE-QHCPKHFHSA-N 408.423 5.348 0 1 HKAF COc1ccc([C@@]2(c3cccc(C)c3)c3ccc(F)cc3C[C@H]3CCCN32)cc1C 963096265 MVNDZIZETQKVMC-SQHAQQRYSA-N 401.525 5.764 0 1 HKAF CCCN1[C@H](c2cccc(OC)c2OCc2cccc(F)c2)c2ccccc2C[C@H]1C 963233968 DPPWRJOEFOQAAO-BCHFMIIMSA-N 419.540 6.159 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1cc(C(C)=O)c[nH]1)C(Cl)(Cl)Cl 963235025 FIAHUXAERDIUKZ-BFUOFWGJSA-N 413.776 5.488 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)c1ccc2ccccc2c1OC(F)F 963639544 VLCYXRVAKIJXJT-BSEYFRJRSA-N 413.464 5.256 0 1 HKAF COc1ccc(-c2cc(OC(C)=O)c3c(-c4ccc(OC)cc4)c(N)oc3c2)cc1 1772588138 SLQHXLOKSYXZJO-UHFFFAOYSA-N 403.434 5.292 0 1 HKAF Cc1cccc(C)c1-c1cccc(COc2ccc(C[C@@H]3SC(=O)NC3=O)s2)c1 1772613496 XPFFJMVSMHWYIK-IBGZPJMESA-N 423.559 5.505 0 1 HKAF CC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1cc(-c2cccc(C)c2)nc2ccc(OC)cc12 1772622834 UPMSRTLOSOVJGB-BKOJROOZSA-N 416.565 5.373 0 1 HKAF O=C(O)/C=C/c1ccc(C2=C(c3ccc(O)cc3)CCOc3cc(F)ccc32)cc1 1857642659 LXTPJGLETQTADQ-KGVSQERTSA-N 402.421 5.371 0 1 HKAF COc1ccc(NC(=O)c2cc(Oc3ccc(/C=C/c4ccccn4)cc3)ccn2)cc1 1857775317 DBZJBNUDHXSVMG-VMPITWQZSA-N 423.472 5.700 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356343358 NEITZYUKMAAGFE-DIHVHAJISA-N 418.662 5.330 0 1 HKAF CC(=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C)[C@H](C)C(C)C 2356501385 XOTDQICKJVYJLO-BQNMHKNFSA-N 400.691 7.491 0 1 HKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@]35CC[C@]12C 2356532031 PKCLZUICYHOWNR-GDNGIZMVSA-N 414.630 6.496 0 1 HKAF C[C@@H]1CC[C@]2(C)[C@H](C)CC[C@H](O)[C@@]23CCC2=C(c4c[nH]c5cccc(c45)C2(C)C)[C@H]13 2356535543 CGVQZHKJDJWLLW-MIDDYYGDSA-N 403.610 6.836 0 1 HKAF CC(=CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356573964 ICOBDHPNAUQIMP-CDZSUCCGSA-N 400.691 7.635 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CCC2=C3C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356663751 UKAKIXQJHXUJBH-SYISWHSXSA-N 416.646 5.539 0 1 HKAF CCCCNC(=O)[C@](CC)(ONc1ccccc1C(F)(F)F)c1ccccc1OC 36387717 UDGGIOTWSHJTIA-OAQYLSRUSA-N 424.463 5.279 0 3 HKAF COc1cc(OC)c2c(c1)[C@H](CCCCCC[C@H]1CC[C@@]3(CC[C@H](C)O3)O1)OC2=O 3825933 MDVWGBKYBVEXHU-IBLNIGRDSA-N 418.530 5.330 0 1 HKAF CC1=Nc2cc(C(=O)NCCc3ccccc3)ccc2Sc2c(C)ccc(C)c21 5035951 ACRNRAMOXUAIDK-UHFFFAOYSA-N 400.547 5.881 0 1 HKAF aggregator CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O 5854068 GOAUTULGLLBZSR-YLLUOSTHSA-N 408.494 5.745 0 1 HKAF in-vitro O=C(c1ccncc1)N1CCC(c2c[nH]c3ccccc23)(c2c[nH]c3ccccc23)CC1 6806688 QHYGFVNUKRWSON-UHFFFAOYSA-N 420.516 5.267 0 1 HKAF CCN1CCC[C@H]1Cn1c(-c2ccccc2)nc2c(NC3CCCCC3)nc(C)nc21 7991858 UNZGAGLGQCYMRB-NRFANRHFSA-N 418.589 5.031 0 1 HKAF Cc1ccc2c(c1)[C@@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1CC2 13735324 AFNCMVHFJLXGFL-MHZLTWQESA-N 411.589 7.111 0 1 HKAF Oc1cc2ccc1Oc1cccc(c1)CCc1ccc(cc1)Oc1cc(ccc1O)CC2 14687262 UJIJNWKXNAZKOA-UHFFFAOYSA-N 424.496 6.566 0 1 HKAF biogenic C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@H](O)c1coc2ccccc12 14970219 YJEUJRJKVSDUPL-RCXJIHSJSA-N 414.480 5.847 0 1 HKAF CC(C)=C[C@H](O)C/C(C)=C/Cc1c(O)cc2c(c1O)O[C@H](c1ccccc1)CC2=O 15216662 NZQIAPMLLOBATL-IJGHAHSZSA-N 408.494 5.010 0 1 HKAF Cc1ccc(OCc2sc3ccccc3c2CCN2CCC(N(C)C)CC2)c(C)c1 27526658 VJFNSBCFBVLQDV-UHFFFAOYSA-N 422.638 5.666 0 1 HKAF Cc1cc(C)nc(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1 28391822 XXEQIBUKUADQAS-UHFFFAOYSA-N 417.940 5.926 0 1 HKAF COc1cccc([C@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)c1 28885974 PJOPOUWRRPPODZ-KAYWLYCHSA-N 420.597 5.232 0 1 HKAF CCCCC1=N[C@@](C)(C(C)C)C(=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1 29409428 SIQOPICURLRLPJ-VWLOTQADSA-N 406.526 5.397 0 1 HKAF FC(F)(F)c1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 45370563 VXBDPSVZFRZIKU-UHFFFAOYSA-N 401.413 5.838 0 1 HKAF CC[C@@H](C)Cn1c(CC(C)C)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 82178953 VREANDHAIUCHIJ-OAHLLOKOSA-N 419.495 5.702 0 1 HKAF CCC(CC)c1nc2c(NCc3ccc(C)cc3)ncnc2n1CC[C@@H]1CCCN1C 82179383 AHZSGWKQEQDHHT-NRFANRHFSA-N 420.605 5.135 0 1 HKAF C/C(=C/C=C/C(C)=C/C=C\C=C(/C)CCCO)[C@@H]1C=C2C(C)(C)C[C@@H](O)C[C@]2(C)O1 85979765 SMTGOURXPBLNQN-RZFFGMPZSA-N 412.614 5.975 0 1 HKAF endogenous,in-man COc1ccc(-c2nc3ccc(C)cc3n2Cc2cc(OC)c(OC)c(OC)c2)cc1 95556072 QKOVMDSFIOXHQW-UHFFFAOYSA-N 418.493 5.094 0 1 HKAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)O[C@H]3CC[C@H](C)CC3)CN(C)[C@@H]1C2 103021206 PRLKDWJIMFKGSZ-LHYOVRRLSA-N 408.586 5.304 0 1 HKAF CCCCCCOc1cc(C(C)(C)C)ccc1[C@H]1COC(c2c(F)cccc2F)=N1 103287971 RVMNFCIXYOVPQQ-OAQYLSRUSA-N 415.524 6.740 0 1 HKAF COc1ccc([C@H]2C3=C(O)CCCC3=Nc3ccc4nc(C)ccc4c32)c(OC)c1 104705899 QQVPFBOAUCLONN-XMMPIXPASA-N 400.478 5.774 0 1 HKAF Cc1ccccc1-c1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1CN(C)C 118849458 NFBMNIMYDPEWRG-UHFFFAOYSA-N 409.493 5.317 0 1 HKAF C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 119213757 VCYNHQOAZQMPOJ-NHAPWMHASA-N 413.646 5.575 0 1 HKAF in-man CCCc1nc(NCCCC2CCN(C)CC2)ncc1-c1nc2c(C)c(C)ccc2[nH]1 138993685 YATKPGCYPNPZGF-UHFFFAOYSA-N 420.605 5.123 0 1 HKAF CCOc1cncc(C2=CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](OC)CC[C@]5(C)[C@H]4CC[C@]23C)c1 141895291 OZUVFWPDYRSYIW-ZNKVMPPOSA-N 409.614 6.531 0 1 HKAF CCc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(OC)cc2OC)s1 206854903 LNXGKSUVMQAIHZ-QFIPXVFZSA-N 408.523 5.094 0 1 HKAF CC/C=C\CCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O 238749371 OSXBYONEOVGKOX-ARJAWSKDSA-N 402.619 8.061 0 1 HKAF biogenic C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 255262747 RNRSCNSOTUEDQF-INULWVDGSA-N 412.662 5.253 0 1 HKAF C/C(C[C@@H](C)[C@@H](C)C(C)C)=C1/CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255278016 WSMAULFAXOAWSD-DQKVPNMASA-N 412.702 7.945 0 1 HKAF FC(F)(F)Oc1cc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586884098 NXSUCNCWSFIMOH-BHGXRVDKSA-N 415.253 5.692 0 1 HKAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)s1 587023891 WLFSSMVITNQYKR-UHFFFAOYSA-N 422.510 5.612 0 1 HKAF COc1cc(OC)c2[nH]c(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 587068930 BMMHBVCITGCFLV-FLIBITNWSA-N 420.896 5.983 0 1 HKAF Clc1ccc(C2=C[C@H](c3nc4cc(Cl)cc(Br)c4[nH]3)ON2)cc1 587076072 HTPDBOJUFMTWLI-CQSZACIVSA-N 411.086 5.249 0 1 HKAF CN(C)CCOc1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1 587095430 YPWORZYMMQZLGD-UHFFFAOYSA-N 417.353 5.208 0 1 HKAF O=C(CSCc1nc2cc(Cl)cc(F)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 587112864 FLOZKTJDSWHJTF-UHFFFAOYSA-N 417.815 5.246 0 1 HKAF Cc1cc(Cl)cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587159366 NMPPPWGFVDYTJT-FQEVSTJZSA-N 401.268 6.486 0 1 HKAF COc1cccc(-c2cc(F)cc(-c3nc4cc(C)c(Br)cc4[nH]3)c2)c1 587160051 DNIHJGMMTAMXKG-UHFFFAOYSA-N 411.274 6.116 0 1 HKAF C[C@H](c1ccc(Cl)cc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327636 HIWNAUNNWKLUOP-QQFWFLOESA-N 410.872 6.106 0 1 HKAF CC1=C(CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(C)(C)CCC1 587348707 AQCBLVFGXJPFPG-IGKIAQTJSA-N 422.540 6.956 0 1 HKAF CC[C@]1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2O1 587356860 RVEAKPUPPYOXOG-ARMFNRFLSA-N 418.464 5.737 0 1 HKAF Cc1cc(C)c2c(c1)OCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587360384 VDDPILLEVJRKPO-ZCYQVOJMSA-N 404.437 5.185 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccs2)[C@H]1c1ccc(F)cc1 587377120 QPBGTZOGYQFMDM-UKILVPOCSA-N 416.473 5.896 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3cccnc3c1OC(=O)c1ccccc1)O2 587394587 HYZXTTMGHGNLEZ-JOCHJYFZSA-N 424.456 5.051 0 1 HKAF COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587422732 QKZCQWSQFBYFRM-FGSXEWAUSA-N 402.412 5.558 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1ccccc1OC)CC2=O 587459458 DOPWMAUEIICYAT-RUZDIDTESA-N 422.908 5.916 0 1 HKAF O=C1C[C@H](c2cc(F)c(Br)cc2Cl)Oc2c1ccc1c2CCCC1 587502488 DXNRYJCPGXRQNI-GOSISDBHSA-N 409.682 5.827 0 1 HKAF C[C@]1(c2ccc3c(c2)[nH]c2ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589062 NEGUXYXELZDCQV-RPLLCQBOSA-N 421.452 5.904 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604208 VGJJWHKYWMDNIU-GSPPDTAYSA-N 406.522 6.275 0 1 HKAF CC(C)c1cccc2c1OCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608584 LFGBTUOGXNEYPH-OFVILXPXSA-N 402.446 5.155 0 1 HKAF O=C(c1cccc(Cl)c1)c1c(-c2cccc(Cl)c2)[nH]c2ccc(F)c(Cl)c12 587629139 VZMIMGBXLDBTIY-UHFFFAOYSA-N 418.682 7.165 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3N)c(CN3C(=O)c4ccccc4C3=O)c2c1 587643454 UOEFJRBIFZXARB-MRXNPFEDSA-N 423.516 5.727 0 1 HKAF COc1cc(Cl)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 587691068 BPKVKFWFLGXGEY-WNWIJWBNSA-N 419.121 5.527 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(Cl)cc2Cl)N1 587691454 BLWAYEIQABJRFC-MLCYQJTMSA-N 417.149 5.887 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)cccc2C(F)(F)F)N1 587711014 IPHJGDCAVICPIV-HUTHGQBESA-N 420.219 5.544 0 1 HKAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(F)(F)F 587712610 PSRWOIJEZJOEAV-VVVCHXIZSA-N 418.228 5.239 0 1 HKAF CCCCn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587757524 OKQFANPGDZLMLW-JLCFBVMHSA-N 415.350 5.967 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccccc3)nc2)N1 587773742 RTRWCSHGJNTXGX-YEJXKQKISA-N 413.290 5.399 0 1 HKAF CCCCCOc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587792405 KVFRRIJLPXPUHA-OYHNWAKOSA-N 420.366 5.955 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C12CC3CC(CC(C3)C1)C2 587858380 HHFKMOCWEILIMM-UHFFFAOYSA-N 419.352 6.112 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(-c3cccc(-c4cc(O)cc(OC)c4)c3)nc2c1 587933309 XWJGWJMHHYJJOO-UHFFFAOYSA-N 408.841 5.051 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(C)cnc2[nH]1 587961072 RHMWFJYEDTZXLJ-UKFPHXRLSA-N 417.641 8.121 0 1 HKAF Cc1ccccc1CC[C@@]1(c2ccc(Cl)cc2)NCCc2nc3ccccn3c21 962984698 NJQUHOYOYUPYFL-VWLOTQADSA-N 401.941 5.318 0 1 HKAF CN1CCc2c(Br)cccc2[C@@]1(Cc1ccccc1Cl)[C@@H]1CCOC1 963288408 AGLAJOHGTFUJDT-IIBYNOLFSA-N 420.778 5.065 0 1 HKAF CCC[C@H](CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cccc3C)c2)s1 1772611939 DLEBSQDDUPENEZ-HXUWFJFHSA-N 408.563 6.969 0 1 HKAF NC(=O)/C=C\c1ccc(Oc2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1 1772632959 VSTANNMHRYLYHJ-BASWHVEKSA-N 403.459 5.270 0 1 HKAF COc1ccc(OC[C@H]2c3sccc3CCN2C(=O)c2ccc(Cl)s2)cc1 1911573501 IMUSHFSLCJRRCP-INIZCTEOSA-N 419.955 5.290 0 1 HKAF CC(C)=C1CCN[C@@H]1C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@@]21C 2356337094 VJHRMJFJZGQHMU-HEMYKYOZSA-N 424.717 6.617 0 1 HKAF CC1(C)CC[C@]2(C)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@H]5CC[C@H](O)C(C)(C)[C@@H]5CC[C@H]43)[C@H]2C1 2356727405 NAWYQIYLOZTOBS-JRBWKYOJSA-N 414.674 6.360 0 1 HKAF COC(=O)C1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2C(=O)NC1CCCCC1 36384280 DGUNWEOAXNSELT-JTHBVZDNSA-N 418.537 5.045 0 3 HKAF COCc1ccc(-c2c(-c3ccsc3)oc(=O)c3cc(OC)c(OC)cc23)cc1 61949497 PRGSJBIWDBPKQB-UHFFFAOYSA-N 408.475 5.352 0 3 HKAF Nc1cc2c(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cccc2cc1Cl 1492042 BHVBHLFPJJPDNA-UHFFFAOYSA-N 414.214 6.392 0 1 HKAF CCOc1ccc(NC(=O)c2sc3ncnc(N(C)c4ccccc4)c3c2C)cc1 2926890 MKZZMPCOBGKGEK-UHFFFAOYSA-N 418.522 5.419 0 1 HKAF C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(OCc4ccccc4)cn3)[C@H]12 13673150 WVADOAPMYIWNHV-GUDAJNQRSA-N 417.549 5.678 0 1 HKAF Fc1ccc(C(NCC2CCN(CCc3ccccc3)CC2)c2ccc(F)cc2)cc1 13862280 LNLLTFKWNPVQFV-UHFFFAOYSA-N 420.547 5.599 0 1 HKAF CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2C=Cc3cn(C)cc3[C@]21C 14594654 IYASUOJSBNTBFH-KODHLEIHSA-N 423.641 6.510 0 1 HKAF Cc1ccc([C@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)cc1 28885584 SHAFCOFWNARKDQ-KAYWLYCHSA-N 404.598 5.532 0 1 HKAF CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2[C@@H](c2cccc(Cl)c2)C1 28893049 UHXAVJMDFYIMLP-XMMPIXPASA-N 416.968 5.120 0 1 HKAF C/C(=C\COCCCc1ccc(-c2ccccc2)cc1)CC/C=C(\C)CCCN(C)C 28899208 XHYXYKRRGPOGFO-OICAOKPUSA-N 419.653 7.317 0 1 HKAF Cc1ccccc1C(=O)c1cccc([C@H](C)CN2CCCC[C@@H]2CC2CCCCC2)c1 29412104 AYFZEWVXVQCFDL-YIXXDRMTSA-N 417.637 7.154 0 1 HKAF CCCC1=NN(C(=O)Nc2ccccc2)C(CCC)=NN1C(=O)Nc1ccccc1 34451126 RGVBQORKFNUZPQ-UHFFFAOYSA-N 406.490 5.295 0 1 HKAF CC(=O)c1c2c(n(-c3ccc(O)c(C(=O)O)c3)c1-c1ccccc1)CCc1ccccc1-2 39194380 OHYBPMWZYPSWHM-UHFFFAOYSA-N 423.468 5.516 0 1 HKAF CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5ccoc5)CC4)cccc3[nH]2)cc1 40954232 UBHZFQQKYKHCSM-UHFFFAOYSA-N 414.553 5.443 0 1 HKAF CCCCC1=NN(C(=O)N[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)C(C)(C)[C@@H]1c1ccccc1 43202203 BTHUUYVJKCBODB-MRESPNAKSA-N 409.618 6.335 0 1 HKAF O=C(CCc1cc(-c2ccc(-c3cccc(O)c3)s2)ccc1O)Nc1ccccc1 45284978 HDMMXHAADNNJAG-UHFFFAOYSA-N 415.514 6.065 0 1 HKAF Fc1ccccc1NC(=S)Nc1ncnc2c1sc(=S)n2-c1ccccc1 45301123 CVGZUHZOQYFURG-UHFFFAOYSA-N 413.528 5.159 0 1 HKAF COc1ccc(-c2ccccc2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)oc12 45392247 HRADSJPOUFMFOH-UHFFFAOYSA-N 413.260 6.063 0 1 HKAF CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](C)[C@@H]12 62154000 PBBCMNZIPIUBND-MWKZQMGMSA-N 402.663 6.215 0 1 HKAF COc1ccc(Nc2nc(Nc3ccc(F)cc3C)cc(N3CCCCC3)n2)cc1 73164168 CZOLAOWNMUBTGH-UHFFFAOYSA-N 407.493 5.410 0 1 HKAF O=C(Nc1ccc(Br)cc1)Nc1ccc(-c2ccnc3nc[nH]c23)cc1 73278940 AEEXIWXDMCZBGH-UHFFFAOYSA-N 408.259 5.031 0 1 HKAF CC(C)Oc1ccc(Nc2nccc3[nH]c(-c4ccc(C(=O)N(C)C)cc4)cc23)cc1 82078491 WCYXJOMBGDADMB-UHFFFAOYSA-N 414.509 5.463 0 1 HKAF CCc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NC3CCCCC3)n2)cc1 82191891 XDMPVPKOGLGZDV-IBGZPJMESA-N 417.644 5.355 0 1 HKAF O=C(Nc1ccc(F)cc1)N1CCc2scnc2[C@H]1c1ccc(C(F)(F)F)cc1 84756860 QTKNCHSLHVSZQT-GOSISDBHSA-N 421.419 5.481 0 1 HKAF COc1cc(Cn2c(-c3ccccc3C)nc3cc(C)ccc32)cc(OC)c1OC 95554318 LVRLILIFPYRMBA-UHFFFAOYSA-N 402.494 5.394 0 1 HKAF C[C@H](C(=O)CCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 95574338 OCNBEJLYCFNWFA-GSXUXVAXSA-N 416.646 5.683 0 1 HKAF O=C(Nc1ccc(-c2ccccc2)cc1)c1ccccc1Cn1ccc2ncnc-2c1 100062197 OUQQBBFWSIIIEM-UHFFFAOYSA-N 404.473 5.351 0 1 HKAF OC1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@@H](C1)N2Cc1c[nH]c2ccccc12 101185023 GZFSOKPLNMYPCE-IRXDYDNUSA-N 401.337 5.489 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1ccccc1-c1ccccc1 103270599 ZWOQLGWLYDNBKG-JOCHJYFZSA-N 401.506 5.625 0 1 HKAF C/C(=C\[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](C)C(C)C 118924011 NWPUQBNUEHLQTQ-AOJKPYSGSA-N 414.718 7.881 0 1 HKAF CC[C@H](/C=C\[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 136034847 CSVWWLUMXNHWSU-FBVNIQJMSA-N 414.718 7.881 0 1 HKAF CC(C)c1[nH]nc2c1[C@@H](c1ccccc1N)N(c1ccc(-c3ccsc3)cc1)C2=O 169696837 SMGDZPVXWRFQIZ-HSZRJFAPSA-N 414.534 5.594 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@@H]1c1ccc(-c2ccc(C)cc2)cc1 169728388 RURSCLVYCLIHPW-RPBOFIJWSA-N 415.533 5.653 0 1 HKAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(ncnc2-c2ccccc2)C1 219367215 BSHDGRBQTYGFCG-UHFFFAOYSA-N 417.818 5.014 0 1 HKAF CC(C)c1cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c(O)c(C(C)C)c1 586895922 CGSBECIQAXYMDW-UHFFFAOYSA-N 400.522 6.761 0 1 HKAF CCCCOc1cc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2cc1Br 586897427 DXBXHGSBURPVLW-UHFFFAOYSA-N 415.331 5.756 0 1 HKAF CSc1sc(-c2nc3ccc(F)c(C)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586920521 SVLDHUBYKVOXKY-UHFFFAOYSA-N 418.968 5.296 0 1 HKAF Cc1cc(Br)ccc1OCc1nc2cc(Br)c(F)cc2[nH]1 586981258 NBWPKTDXCXRMFI-UHFFFAOYSA-N 414.072 5.114 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1[nH]c3ccc(Cl)cc3c1CC4)-c1ccccc1C2=O 586992123 DFZVKISZCPCJSH-UHFFFAOYSA-N 420.899 6.655 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)c21 587031952 WYMUBBMXLDFCBC-LLVKDONJSA-N 419.447 6.680 0 1 HKAF O=C(c1cccc(C(F)(F)F)c1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103577 KMIYXCFICFEBLD-UHFFFAOYSA-N 403.359 5.696 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]1CN(Cc2ccccc2)C[C@H]1C3 587105728 GMSCYSPPJVHZAN-UXHICEINSA-N 416.524 5.293 0 1 HKAF CC1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(F)cc2O1 587336671 QZLLFSHHLZCEKO-WIOPSUGQSA-N 422.427 5.486 0 1 HKAF CCOc1ccc(-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C)cc1 587361873 DEIBKSXTNNXEKY-UHFFFAOYSA-N 409.485 7.031 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1c(N)sc3c1CCC3)O2 587415748 WNAULBVKUOWRRS-HSZRJFAPSA-N 424.953 5.272 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc5c(c4)OCCCO5)cc1)[C@@H](C2)C3=O 587451430 HOJHNHINUNYPHO-FNZWTVRRSA-N 414.457 5.012 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3cccc(C)c3)cc1)CC2=O 587482751 VFWMFZXTLATJCP-RUZDIDTESA-N 402.490 5.939 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3ccc4c(c3)CCC4)o1)CC2=O 587486459 XTOUJMLJMYHKDN-VWLOTQADSA-N 418.489 5.712 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc(-c3ccc(Cl)cc3)s1)CC2=O 587496740 TVRQRPJHGKUJRG-QFIPXVFZSA-N 413.926 6.002 0 1 HKAF O=C1C[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)Oc2c1ccc1c2CCCC1 587509704 WHCXDXFAHBJLAX-DEOSSOPVSA-N 423.339 7.246 0 1 HKAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN1CCCCC1 587515528 TWQHGPNGNKJRKG-RUZDIDTESA-N 405.538 5.266 0 1 HKAF Cc1noc(C)c1COc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521534 BLDQQQOZNNKJMS-XMMPIXPASA-N 403.478 5.456 0 1 HKAF CC(C)(C)OC(=O)/C=C/c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587523700 ONQPBDDSHZOXGY-WIJYMUHASA-N 404.506 5.627 0 1 HKAF Cc1ccc(CC2(Cc3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587527124 YMZWVPMYVIIAMN-UHFFFAOYSA-N 410.557 6.372 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2)c(F)c1 587556757 ZSHKBUCOHJKSEX-ZEQKJWHPSA-N 412.416 5.901 0 1 HKAF CO[C@@H]1C[C@H](c2ccccc2)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587598110 AQBLKVYVYCBATE-DDKMDXNESA-N 416.473 5.075 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCCC2)s1 587614783 UIGDVUPSZJOJAP-REWPJTCUSA-N 407.491 5.147 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2nccc(Cl)c2s1 587616545 DNJCDUUHFKBXGV-YLJYHZDGSA-N 409.850 5.358 0 1 HKAF CCOC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccc(Cl)cc1Cl 587628664 QPUIVRXWOCUIDT-UHFFFAOYSA-N 414.647 5.675 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2cccc(Cl)c2)N1 587704141 SMOHUKMXFMUFHD-DGIBIBHMSA-N 420.713 5.255 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(F)cc3)s2)N1 587732887 KTEOITMMVDNGTG-YBTHPKLGSA-N 420.322 6.079 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC2CCCCC2)(c2ncccn2)N1 587775843 UHNGTEJOQBIRGH-SZNDQCEHSA-N 418.354 5.126 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2c1 587783759 GVLYVIKCILMMIB-XFXZXTDPSA-N 418.880 5.752 0 1 HKAF CCCCOc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587789457 CCEKIDHNWMNWEB-QKKBWIMNSA-N 406.339 5.565 0 1 HKAF CC(=O)C[C@@]1(c2c(C)cc(C)cc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587812953 MDGQQNYPZNZDRE-QRQCRPRQSA-N 418.350 5.270 0 1 HKAF Cc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587814922 JEAHHBGKJMQLLR-XDHUDOTRSA-N 424.357 6.031 0 1 HKAF Cc1oc2ccc(O)cc2c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587828182 MPQPNTRXQCJIHW-CFMSYZGJSA-N 404.279 5.146 0 1 HKAF CC(C)c1ccc2c(c1)[C@]1(CCCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587836081 RLAFJTREDLNXHS-RCDICMHDSA-N 418.350 5.662 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2SC(C)(C)C)N1 587839934 JGQQYORAADTLJY-BUXKBTBVSA-N 408.380 6.102 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(Br)c2)N1 587846478 HTYVGIZJKRIYBU-JKYUHCHBSA-N 405.130 5.036 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Nc1cccc(Cl)c1 587856368 MFZHWZIYSACPFF-UHFFFAOYSA-N 410.688 5.989 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc(Br)ccc4[nH]3)cc2)cc1OC 587926984 LZQIZCCJKBFOHY-UHFFFAOYSA-N 409.283 5.677 0 1 HKAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1 587934742 FOFISOKBHVAXKO-SANMLTNESA-N 418.496 5.983 0 1 HKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2c(Cl)c(Br)cnc2[nH]1 587951565 PBLWRUSHHDTPML-JTQLQIEISA-N 402.679 5.667 0 1 HKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587952348 PGYBKXXLYYQXMP-WBIUFABUSA-N 419.285 6.391 0 1 HKAF Cc1cc2c(cc1F)[C@](c1ccc(Br)cc1)(C1CCCCC1)NCC2 962380596 WZMBIUDZVLUVLV-JOCHJYFZSA-N 402.351 5.866 0 1 HKAF COc1cc2c(cc1OC)[C@](c1cccc(Cl)c1Cl)(C1CC1)N(C)[C@H](C)C2 962615673 AFBKWYCGCBTTIO-MCMMXHMISA-N 406.353 5.541 0 1 HKAF CC(C)(C)[C@]1(c2cccc(Cl)c2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962672362 SXNZNLCYANHTAT-DQEYMECFSA-N 422.956 5.277 0 1 HKAF Fc1ccccc1C[C@]1(C(F)(F)F)c2ccsc2CCN1Cc1cccnc1 962996982 PSYAHOXBZDQUHC-HXUWFJFHSA-N 406.448 5.341 0 1 HKAF Cc1sc2c(c1C)CCN[C@@]2(c1ccc(F)cc1)c1ccc(Cl)cc1Cl 963034094 YHJXIJPMWSKZHF-NRFANRHFSA-N 406.353 6.248 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1cnccc1C)c1ccc(OC)cc1OC 963237921 HJBYQODMOQRRID-HRFSGMKKSA-N 416.565 5.356 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1cccc(Cl)c1Cl)C1CCCC1 963257433 KDNPGSIDUMASRW-XDHUDOTRSA-N 402.409 7.084 0 1 HKAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](C=C2CCCCC2)N1C(=O)c1ccccc1 963447683 MONBJLLPLWDJJU-PKTZIBPZSA-N 414.505 5.251 0 1 HKAF Fc1ccc([C@@H]2C[C@H]2COc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)cc1 1772606910 CJOZVJDWVZKYBU-HOCLYGCPSA-N 405.395 5.022 0 1 HKAF CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)OC)NC(=O)[C@@H](N)[C@@H](C)CC 1772642702 HZWHYHHHTXKWID-CFOLEJRCSA-N 424.670 5.665 0 1 HKAF COc1ccc(Nc2cc(NC(=O)Nc3c(Cl)cccc3Cl)ncn2)cc1C 1857550514 BPIMDGVSDYBCGP-UHFFFAOYSA-N 418.284 5.488 0 1 HKAF COc1ccc([C@H](C(=O)Nc2ccc(C(C)(C)C)cc2)N(C)C(=O)c2ccco2)cc1 1857761763 VMFBHJUCESVLNW-JOCHJYFZSA-N 420.509 5.038 0 1 HKAF COc1ccc(C=C[C@H]2C[C@H](c3ccc(OC)cc3)Oc3cc(OC)ccc32)cc1 2356401134 UKDSXGUCSVQBKZ-NBGIEHNGSA-N 402.490 6.033 0 1 HKAF CC(C)CCC[C@H]1C(=O)OC[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](O)CC[C@@]54C)[C@@H]2CC[C@H]13 2356478457 FMGJZNYCKWFPAI-GIFZQRBASA-N 414.630 5.906 0 1 HKAF CC(C)=CCCC(C)=CCC[C@H](C)[C@]1(C)CC[C@@H]2C1=CC[C@@H]1C(C)(C)CCC[C@@]21C 2356507268 YURSMGRVNUWHIG-JJRKDKPGSA-N 410.730 9.674 0 1 HKAF CC=C(C)C(=O)O[C@@H]1[C@H](O)C[C@]2(C)[C@H](CC[C@H](C)CC(=O)O)C(C)=CC[C@H]2C1(C)C 2356599195 QHKXHNFSWCFKJN-VBMMLXFVSA-N 420.590 5.135 0 1 HKAF Clc1ccc(CO[C@@H](CN2[CH]NC=C2)c2ccc(Cl)cc2Cl)c(Cl)c1 2356816066 AOUJXIUCOWGKIW-SFHVURJKSA-N 417.143 6.054 0 1 HKAF CCCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)cc1F 2481228 NIGGOEVKCMBFHZ-UHFFFAOYSA-N 407.272 5.984 0 1 HKAF C[C@@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1)c1ccc(F)cc1 4207899 VXIZISJDKXZYAZ-AECOYVPUSA-N 422.887 5.448 0 1 HKAF CC(C)=CCc1cc(-c2cc(=O)c3c(O)c(CC=C(C)C)c(O)cc3o2)ccc1O 5854718 WGNIVAMNAWBYRO-UHFFFAOYSA-N 406.478 5.594 0 1 HKAF endogenous,in-man CC(C)[S@@](=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 5963306 CPMYQFUFQVVJNP-NQGDDDATSA-N 420.703 6.110 0 1 HKAF COc1cc(OC)c2c(c1-c1c(C)cc(OC)c3c(OC)cccc13)C[C@H](C)N[C@@H]2C 13359201 RVMRJGIRKITWGW-JKSUJKDBSA-N 421.537 5.445 0 1 HKAF biogenic O=c1[nH]c2sc3c(c2c(O)c1-c1cccc(Oc2ccccc2)c1)CCCS3 13680048 LLIWZQPZYRXTNO-UHFFFAOYSA-N 407.516 5.793 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12 15253936 IGGXIQKUMBVBRV-VIZOYTHASA-N 422.477 5.518 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](C)C=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 27304261 FAGYSQSLIMHWHR-QTKJQYBUSA-N 413.690 7.300 0 1 HKAF CCN(CC)CCN(CCNC1CCCCCCCCCCC1)CCN(CC)CC 28239280 OTJIWIAQDCSRFB-UHFFFAOYSA-N 424.762 5.235 0 1 HKAF COC(=O)C(=O)Nc1cc(Cl)c(Oc2ccc3[nH]cc(C(C)C)c3c2)c(Cl)c1 28350269 CCTYHQGZHMQRSN-UHFFFAOYSA-N 421.280 5.502 0 1 HKAF COc1ccc(-c2ncc(C(=O)Nc3ccccc3)nc2-c2ccc(OC)cc2)cc1 28648923 DSSMWRUERDOSAD-UHFFFAOYSA-N 411.461 5.080 0 1 HKAF COC(C)(C)CCn1nc(Nc2ccccc2)c2cnc(Nc3ccccc3)nc21 34946222 GPWSEJBSHLTMLT-UHFFFAOYSA-N 402.502 5.129 0 1 HKAF O=Cc1ccc(CO[C@@]2(c3ccccc3)c3ccccc3C(=O)N2Cc2ccccc2)o1 35064203 YOERQPRARRQVCJ-MHZLTWQESA-N 423.468 5.166 0 1 HKAF Cc1nc(-c2ccncc2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1 38253559 YCFCCUQNGIHNCB-QGZVFWFLSA-N 414.578 5.756 0 1 HKAF CCCCCCOc1cc2c(cc1C(C)C)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 40974541 JQSVJFKTXYVUBG-LGPLSSKUSA-N 400.603 6.864 0 1 HKAF Nc1cccc(CNCc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)c1 45211458 PSAYLJRCKULQQO-UHFFFAOYSA-N 404.517 5.769 0 1 HKAF O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(C(F)(F)F)cccc12 63298429 FBWWNLBZZFVRQY-UHFFFAOYSA-N 400.282 5.311 0 1 HKAF Fc1ccccc1-c1cc(C(F)(F)F)c2nc(C3=NOC4(CCCCC4)C3)[nH]c2c1 66099652 FWMADLQTWXEZMO-UHFFFAOYSA-N 417.406 6.215 0 1 HKAF CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2N(C)CCCC(C)C)C1 84587132 SUURJOMPZAFTED-XTZJLTRESA-N 403.695 6.781 0 1 HKAF COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2-c2ccc(F)c(F)c2)cc1 95594174 PMWLULZLHBWIPH-VMPITWQZSA-N 412.432 5.837 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CCc3cccc(F)c3O2)CC1 96286130 BFBIPYXYGFUKLP-UHFFFAOYSA-N 408.395 5.236 0 1 HKAF C/C(=C\c1nsc(Nc2cccc(Cl)c2)n1)NC1CC(C)(C)NC(C)(C)C1 103948059 KRSQTWRNRJVDIH-UKTHLTGXSA-N 405.999 5.195 0 1 HKAF O=C(Nc1ccc(Cl)cc1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1 115658846 GLUCVAZWFKCTHF-UHFFFAOYSA-N 416.695 6.442 0 1 HKAF COCCOc1cc(-c2ccc(-c3csc(Nc4cccc(C)n4)n3)cc2)ccn1 145287044 BEVXHHZSHJDEKR-UHFFFAOYSA-N 418.522 5.344 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCCC(=O)N1Cc1ccc(-c2ccccc2)cc1 167861494 QYACYWJYVVSSHL-QHCPKHFHSA-N 415.533 6.015 0 1 HKAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)OC3[C@@H](C)CCC[C@H]3C)CN(C)[C@@H]1C2 169325345 WRVDEIUJUYJDJD-OCSOMURDSA-N 422.613 5.550 0 1 HKAF O=C1NCCc2[nH]c(-c3cccc4ccc(Nc5c(F)cccc5Cl)nc34)cc21 222377767 UFUZBXAWWQEYHU-UHFFFAOYSA-N 406.848 5.052 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@@]3(C)[C@H]4CCC5=C(CCC(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2C1 238765650 FEWFHPXLWBWTJY-QLFYIARUSA-N 424.713 8.521 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C=C(C(=O)O)CC[C@@H]4[C@H]3CC[C@]12C)C(C)C 253975310 MPQGKRPBJJRBJF-RNCZJOPTSA-N 413.602 5.442 0 1 HKAF CNC(=O)c1cc(Oc2ccc(Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 299857264 MSDXNLICHRRNEK-UHFFFAOYSA-N 421.806 5.649 0 1 HKAF O=C1c2ccccc2-c2cc(-c3c(F)cccc3-n3ccnc3)nc3ccc(O)c1c23 586987151 UAVAQENTILVUOK-UHFFFAOYSA-N 407.404 5.144 0 1 HKAF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccccc4[nH]3)cs2)cc1 587014099 KJVUQIDMYDRJPC-UHFFFAOYSA-N 406.511 5.624 0 1 HKAF Cc1cc(Cl)cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 587027449 QXXLKMLTDGPQME-SNRMKQJTSA-N 413.974 5.661 0 1 HKAF Cc1cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1Cl 587071040 LBTXPMYEYMRNGZ-JXMROGBWSA-N 409.316 6.928 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(N5CCC(C)CC5)cc4)nc13)-c1ccccc1C2=O 587097157 LWYSFWSGPWXSOL-UHFFFAOYSA-N 418.540 6.658 0 1 HKAF Cc1ccc2c3c(cc(-c4c(N)sc5c4CCN(C)C5)nc13)-c1ccccc1C2=O 587101508 HIDSSDDLFGANQB-UHFFFAOYSA-N 411.530 5.053 0 1 HKAF Fc1ccc(Oc2ccc(-c3nc4c(Cl)ccnc4[nH]3)cn2)c(Br)c1 587161547 WBQXQBMZPWCAMW-UHFFFAOYSA-N 419.641 5.367 0 1 HKAF C[C@@]1(c2nc(C(F)(F)F)cs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327059 DRPOXJXSZYISIZ-QFBILLFUSA-N 423.387 5.281 0 1 HKAF CC(C)[C@@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335834 RODBLPGSWIAGSC-VWNXMTODSA-N 412.407 5.720 0 1 HKAF CCn1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587342914 QMTVXZDGSBRDRC-AOYPEHQESA-N 415.464 5.780 0 1 HKAF COc1cccc(-c2cc([C@H]3CCc4ccccc4C3=O)nc3c2oc2ccccc23)c1 587365860 JKDRAKUVSNOLDB-OAQYLSRUSA-N 419.480 6.569 0 1 HKAF COc1cccc(-c2cc(-c3cccc(OC[C@@H]4CO4)c3)nc3c2oc2ccccc23)c1 587367243 UWQSMBLIZRNHLN-OAQYLSRUSA-N 423.468 6.101 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1[nH]c1ccc(C4CCCCC4)cc31)O2 587397094 RVWIMDWGOZGRQY-MHZLTWQESA-N 414.549 6.303 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1cc(C)ccc1C)(c1ccccc1Cl)[C@@H](C2)C3=O 587421689 WOWBVRZPEGOBEG-NBGIEHNGSA-N 404.893 5.657 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4c(OCc5ccccc5)cccc14)[C@@H](C2)C3=O 587438712 QCGHLFPBMJUHGF-AFMDSPMNSA-N 411.457 5.244 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(-c3ccc(Cl)cc3)oc1C)CC2=O 587460930 JKKHPSVTHVXUQK-DEOSSOPVSA-N 410.897 6.447 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](c2ccccc2)Oc2ccc(O)cc21 587491832 QADLRIBAADJJAV-RSXGOPAZSA-N 416.473 5.435 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(C)cc2Oc2cc(O)cc(O)c21 587493174 SQXWZCSTUDACKF-VWLOTQADSA-N 418.445 5.079 0 1 HKAF O=C1C[C@H](c2c(Br)cc(F)c(F)c2F)Oc2c1ccc1c2CCCC1 587504571 JJLFZIZIFJLJMS-OAHLLOKOSA-N 411.217 5.452 0 1 HKAF CC(C)(C)OC(=O)Nc1ccc(F)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587504894 OHRCVHBKNYOCRC-NRFANRHFSA-N 411.473 5.758 0 1 HKAF O=C1C[C@@]2(CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587509974 UVVBKWMTWIRBCV-ZJSXRUAMSA-N 414.467 6.646 0 1 HKAF O=C(CC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 587523228 KGHQTPKHSZHHQJ-NDEPHWFRSA-N 410.513 6.089 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCSc1cc(F)c(F)cc12 587570848 MFVYILLEMVUPHZ-UGKGYDQZSA-N 412.413 5.023 0 1 HKAF CCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(OC)ccc21 587579536 URCSPUARHXZKBE-RDGATRHJSA-N 415.445 5.078 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2ccccc2)c1 587591853 HYNAIXVFKYZVRP-RPLLCQBOSA-N 424.452 5.674 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C(c1ccccc1)c1ccccc1 587602014 HVLBVTVQMHARDU-IGKIAQTJSA-N 408.453 5.555 0 1 HKAF CCCC[C@@H]1Cc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587603930 QDGQONNAEGOYSD-BYPCIHSKSA-N 400.474 5.612 0 1 HKAF CCc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2ccc(C)cc12 587616832 MKFAXGKGWWLWJP-NVQXNPDNSA-N 414.457 5.886 0 1 HKAF CC(C)(C)[C@@]1(c2cc3ccccc3o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587617035 OEIJQPUCIXBSFN-GJZUVCINSA-N 414.457 6.042 0 1 HKAF Cc1[nH]c2c(C)cc(Cl)cc2c1Oc1ccc2cc(Br)ccc2c1 587623196 ACCGIAMEBWVEBI-UHFFFAOYSA-N 400.703 7.146 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3cccn3)cc2Cl)N1 587692281 GSYNFQNOJHMRSZ-WYRIXSBYSA-N 420.713 5.051 0 1 HKAF CCCOc1ccc(Cl)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587697889 PLWGVEBDIWVFFC-NSPYISDASA-N 412.730 5.654 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(Cl)c(Cl)c2)N1 587715994 CYNZYHAZQMQNMG-VGDKGRGNSA-N 407.085 5.658 0 1 HKAF Cc1ccc(F)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1Cl 587722163 RMGUYHFNHXYGHK-MLCYQJTMSA-N 400.694 5.487 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(SC(F)F)cc2)N1 587722760 ZQCINDMTVWLVPR-MLCYQJTMSA-N 416.306 5.701 0 1 HKAF COc1cccc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587758313 WOXSCAWGIUMMHC-ASSNKEHSSA-N 415.306 5.011 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(/C=C\c3ccccc3)cc2)N1 587821229 TZNKOTFDSUEGQT-VLWKQQGVSA-N 422.341 6.382 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2oc2ccccc23)N1 587831244 HRPADBKDLVDTTR-GTJPDFRWSA-N 410.286 6.111 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([C@@H]3CCCCO3)s2)N1 587850280 YHCTWASZRZROSA-XNPNBVRTSA-N 410.352 5.515 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1c(F)cc(F)cc1Cl 587853997 CUOSNXOEFAWTFJ-UHFFFAOYSA-N 403.643 6.176 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Nc1ccc(C)cc1Cl 587867062 RRBBSLJMIVYJHE-UHFFFAOYSA-N 410.783 5.015 0 1 HKAF O=S(=O)(c1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c1)C(F)(F)F 587961745 OUBGZSOWQCAUIA-UHFFFAOYSA-N 416.424 5.114 0 1 HKAF COc1ccc(-c2cnc3c(Nc4ccc(N5CCCCC5)cc4)nccc3n2)cc1 653724770 PQROQALKBIJILZ-UHFFFAOYSA-N 411.509 5.434 0 1 HKAF CC(C)Oc1ccc(-c2cc(C(=O)O)nn2-c2ccc(Oc3ccccc3)cc2)cc1 653849934 YMZIQERIFKUTOB-UHFFFAOYSA-N 414.461 5.817 0 1 HKAF Cc1ccc(Sc2nc3sccn3c2[C@H]2NCCc3ccc(F)c(C)c32)cc1 962294281 BKQKVKBEZHUYQM-IBGZPJMESA-N 409.555 5.538 0 1 HKAF CC1(C)Cc2[nH]c3ccccc3c(=N)c2[C@@]2(C1)NCCc1cccc(-c3ccccc3)c12 962670961 VOECJUQYSHFSGR-LJAQVGFWSA-N 419.572 5.676 0 1 HKAF C[C@@]1(c2c[nH]c3ccc(Cl)cc23)c2cccc(F)c2CCN1[C@@H]1CCSC1 962699419 HSUXVFVTHBKKDN-QRQCRPRQSA-N 400.950 5.588 0 1 HKAF C[C@]1(c2cccc(-c3ccc(C(=O)O)c(F)c3)c2)c2c(F)cccc2C[C@@H]2CCCN21 963098470 HAFCOZIOTVRVPM-FNZWTVRRSA-N 419.471 5.614 0 1 HKAF COc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)c2c(F)cccc2C[C@H]2CCCN21 963108559 TXNBERMGKZGNHM-NFQMXDRXSA-N 413.492 5.532 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1cccc(OC)c1)[C@@H](CC)C(=O)OCC 963222744 CLXXEJILSBWEHK-BLFHIAQRSA-N 409.570 5.185 0 1 HKAF CC/C=C(\C)C(=O)Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)[nH]nc3c2)c1 1772576302 HIISYPDUBLLNTE-ODQDEMDOSA-N 423.516 6.820 0 1 HKAF O=C(O)c1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)c(-c3ccccc3)o2)cc1 1857563272 AJZXZYYNKAKNAQ-UHFFFAOYSA-N 410.256 6.681 0 1 HKAF O=C1N[C@](c2ccccc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl 1857586033 LPEYRTGVFRLICD-OAQYLSRUSA-N 413.951 5.727 0 1 HKAF Cc1noc(C)c1-c1ccc(Cl)c(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 1857653311 ZRFLBQPSZFRLNP-OAHLLOKOSA-N 413.857 5.142 0 1 HKAF CC[C@@H](C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@H]1C[C@@H]1C 2356461283 AAJHVCTWRPOTGA-IQLMOGTBSA-N 412.702 7.635 0 1 HKAF C[C@@H]1Oc2c(c3c(c4oc(=O)cc(-c5ccccc5)c24)C=CC(C)(C)O3)[C@@H](O)[C@H]1C 2356537913 KZWMARGPANIIPZ-RXSFTSLZSA-N 404.462 5.095 0 1 HKAF COc1ccc(NC(=O)O[C@H]2C=C[C@@H](c3c(C)nn(-c4ccccc4)c3C)C2)cc1 2356568414 AVRJSRBYUGYYNK-GCJKJVERSA-N 403.482 5.159 0 1 HKAF CO[C@H]1CC[C@@]2(CO)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CCCC(C)C)C1 2356764889 UNSXTSXNXGFMFK-OJMPHCHBSA-N 416.690 7.015 0 1 HKAF CSc1sc(-c2ccn(C(=O)Nc3ccccc3)n2)c2c1C(=O)CC(C)(C)C2 1037816 LITOCZGWAIHTLM-UHFFFAOYSA-N 411.552 5.569 0 1 HKAF COc1ccc(-c2cc(C(F)(F)F)nc(N[C@@H](C)c3ccccc3)n2)cc1OC 4757781 SSYPSVLJYKPLEO-ZDUSSCGKSA-N 403.404 5.353 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 13542735 PZELUKPNJYWGOY-KBERBRDSSA-N 400.691 7.635 0 1 HKAF C[C@@H](O)CCCCCCCCCCCCCCCCCCCCC[C@H](O)CCO 15273944 UHNHNACCNLEBON-FTJBHMTQSA-N 414.715 7.303 0 1 HKAF biogenic COc1ccc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3)c2c1 26180329 KKBWTJZDLBXTQA-UHFFFAOYSA-N 405.404 5.833 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nc2ccccc2n1-c1ccccc1 29544904 KJKNJGBEURLBJC-UHFFFAOYSA-N 412.537 6.916 0 1 HKAF C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@](C)(O)C(C)C 33956031 HVAVRRBYXYEBNC-NQLCNAEBSA-N 412.658 6.756 0 1 HKAF CCC/C=C(\CCC)[C@@H](NC(=O)Oc1ccc(F)cc1)c1ccc(C(=O)OC)cc1 34148369 IGYVXKNVIKZVEP-CRAILRFSSA-N 413.489 5.969 0 1 HKAF CCSc1ccc(-c2cc(Cl)cc3c2O[C@@H](C(F)(F)F)C(C(=O)O)=C3)cc1 34576356 WPYQXCORZGBFKS-QGZVFWFLSA-N 414.832 5.910 0 1 HKAF C1=C(c2ccc3ccccc3c2)C[C@H]2CC[C@@H]1N2CCOc1cccc2cccnc12 36271425 ZAEWLZXHWVJTGL-IZZNHLLZSA-N 406.529 6.087 0 1 HKAF C/C(=C\Cn1c[n+](C)c2ncnc(N)c21)CC[C@]1(C)C2=CCC[C@@H](C)[C@]2(C)CC[C@H]1C 40918134 KHDTWVSQOUVIDX-OGIRCZRZSA-N 422.641 5.363 0 1 HKAF Cc1nnsc1C(=O)Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1 45228705 UOKSMIREYCRIFV-UHFFFAOYSA-N 411.490 5.309 0 1 HKAF FCCC[C@H]1OC2(CCN(Cc3ccccc3C(F)(F)F)CC2)c2ccccc21 45291212 UMEKHCYSDFVHMS-OAQYLSRUSA-N 407.451 6.018 0 1 HKAF c1cc(CNCCc2ccncc2)cc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)c1 45339313 KDJALJPYEHFMDI-UHFFFAOYSA-N 404.517 5.624 0 1 HKAF CCCCCc1c(C)nc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)nc1C 45495661 XJKQNVCPQXLGAH-LJQANCHMSA-N 407.942 5.397 0 1 HKAF CCOC(=O)c1c(/C=C/CCCCCCCCO[C@H]2CCCCO2)cccc1OC 71295091 CDIPBCLPESNNDH-WIJYMUHASA-N 418.574 6.159 0 1 HKAF COc1ccc2nc(C)c3c(C(F)(F)F)nc(-c4cc(F)ccc4Cl)n3c2n1 73169357 VJJRKPCCZNXZKA-UHFFFAOYSA-N 410.758 5.073 0 1 HKAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2cccc(C)c2)C1 82145602 JBOIWEDWZMFDKG-VQTJNVASSA-N 406.574 5.093 0 1 HKAF O=C(Nc1ccc(NC(=O)c2ccc(-c3ccccc3)o2)c(Cl)c1)c1ccccn1 82152807 KEWYSNOANSWYSR-UHFFFAOYSA-N 417.852 5.500 0 1 HKAF COc1ccccc1CNc1ncc(-c2nc3ccccc3s2)c(-c2ccccc2)n1 82163292 BTZGMWPNFDWFMH-UHFFFAOYSA-N 424.529 6.041 0 1 HKAF CCc1cnc(-c2cnc(NCCc3ccccc3F)nc2-c2ccccc2F)s1 82175942 WOFGMEJOMNQHBT-UHFFFAOYSA-N 422.504 5.762 0 1 HKAF C[C@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)C1 96929223 MIXABWQHZDQHOX-YCRPNKLZSA-N 418.368 5.309 0 1 HKAF Fc1ccc([C@@H]2[C@H](c3ccc(F)cc3)C[C@H]3CC[C@H]2N3CCc2ccccc2)cc1 100840753 TULWTCRECLIYGX-HVWQDESWSA-N 403.516 6.312 0 1 HKAF COc1ccc(-c2nnc(-c3c(-c4ccccc4)nn(-c4ccccc4)c3C)o2)cc1 103229698 UGQHHEYONMSNCG-UHFFFAOYSA-N 408.461 5.573 0 1 HKAF Cc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4c[nH]c5ccccc45)C3=C(O)C2)cc1 104050295 LEVLZFUCNVARIN-WHLCRQNOSA-N 419.528 7.105 0 1 HKAF CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]nc(C)c2c1)c1ccccc1 114545398 WOTGOXCBRHPKOH-TZZSVADHSA-N 408.501 6.338 0 1 HKAF Cc1cccc(C)c1[C@@H]1CCc2cc(Oc3ncc(C(=O)N(C)C)s3)ccc2O1 145535273 MFWCLDSCJVBTKF-IBGZPJMESA-N 408.523 5.320 0 1 HKAF CCOc1cccc(F)c1[C@@H]1C[C@H](C)C(=O)N1Cc1csc(-c2ccc(C)cc2)n1 167745109 DOOLJNLUINHQJO-JXFKEZNVSA-N 424.541 5.766 0 1 HKAF CCc1n[nH]c(CC)c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12 224873368 XOEVAYXDSJABMS-UHFFFAOYSA-N 415.497 5.511 0 1 HKAF CCCCC[C@@H](C)C/C=C\C/C=C\C/C=C/C/C=C\CC[C@H](C)C(=O)NCCF 231934565 MHVQQJCJBNFDST-QCSNEGBMSA-N 405.642 7.490 0 1 HKAF COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C)=CC[C@@H]1[C@]2(C)CCC[C@@]1(C)COC(=O)C(C)C 238774916 XDWAWFACGNSUSS-FUBBUTDDSA-N 420.590 5.219 0 1 HKAF CC[C@H](/C=C\[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 257505608 OQMZNAMGEHIHNN-VURSWXOYSA-N 410.686 7.721 0 1 HKAF endogenous,in-man COc1ccc(CNc2nc(-c3ccc(F)cc3F)c(Cc3ccccc3)s2)cc1 299827608 PMYBMKSWNUOKAJ-UHFFFAOYSA-N 422.500 6.300 0 1 HKAF CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O 299880066 LREMEYPTUKLECW-IQFVJIFQSA-N 414.590 5.244 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(C)c(Br)cc3[nH]2)c1 586879975 VWLJKUKWZAYEIU-UHFFFAOYSA-N 419.322 6.149 0 1 HKAF CC(C)COc1cc2nc(-c3ncccc3C(F)(F)F)[nH]c2cc1Br 587109501 WKMFHHRGOJIUDU-UHFFFAOYSA-N 414.225 5.441 0 1 HKAF CC(C)CCOc1cc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2cc1Br 587173717 HRUCBQGORMCJOX-IBGZPJMESA-N 419.294 5.566 0 1 HKAF Cc1cccc([C@@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587340999 WIYNHKBMVLFPJM-FDYGDTCYSA-N 417.480 5.169 0 1 HKAF Cc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587352385 JATTYUHYVBTKHT-XCZPVHLTSA-N 424.471 6.142 0 1 HKAF COc1cccc(-c2cc([C@@H](C)Oc3ccccc3O)nc3c2oc2ccccc23)c1 587362106 DXNGPMDNALYUHK-MRXNPFEDSA-N 411.457 6.502 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc(-c3ccc(C)cc3)nc1C)CC2=O 587493004 FAIRWMGEINBHGZ-XMMPIXPASA-N 407.535 5.966 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCC(F)(F)F)cc1 587548127 NJPLTIBNUIDDPC-WIYYLYMNSA-N 416.351 5.036 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1c2[nH]c2ccc(Cl)cc12 587552102 NMUDKBMFAGDXAR-HYBUGGRVSA-N 417.848 5.330 0 1 HKAF Cc1ccc(SCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587658862 VSJLGXLOGCYOGD-UHFFFAOYSA-N 422.456 5.083 0 1 HKAF CC(C)Oc1ccc(Cl)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587698528 QLEOSFZKGWGZFK-WLRWDXFRSA-N 412.730 5.652 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(C(F)(F)F)cc2Cl)N1 587710780 DZUXTQCJYSNGDF-NZFNHWASSA-N 423.635 5.279 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OC(F)F)N1 587717207 KSSZVRJYYYZVAH-BCTVWOGZSA-N 420.656 5.467 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)cc(Cl)cc2F)N1 587717873 GTTTUPQQAMLNPV-CQLKUDPESA-N 404.657 5.318 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2OCC2CC2)N1 587727884 PTZHSJVPRKJYPC-PRWKNARSSA-N 408.286 5.140 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)c3ccccc23)N1 587732577 NDGROETYWVUATH-GTJPDFRWSA-N 402.282 5.678 0 1 HKAF Cc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587752157 CEHHNUGJENANJV-OYHNWAKOSA-N 413.334 5.619 0 1 HKAF CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(C)C 587797820 XLSWVEAOIJZFNC-ASSNKEHSSA-N 422.338 5.398 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1C[C@H]1c1ccc(C)cc1 587862820 XHLSLWMSZPUYDY-IRXDYDNUSA-N 400.400 5.330 0 1 HKAF CC(C)Oc1cc(-n2c(O)cc(-c3cccc(Cl)c3)c2O)c(Cl)cc1Cl 587943010 HWASAOAMWAFUJZ-UHFFFAOYSA-N 412.700 6.303 0 1 HKAF O=C1CS[C@@H](c2cccc(F)c2)N1c1nc(C23CC4CC(CC(C4)C2)C3)cs1 653755721 XQAVOEAMLKFTGG-QQHSFYSYSA-N 414.571 5.529 0 1 HKAF CC(C)CNC(=O)c1cccc2nc(-c3ccc(CNCc4ccccc4)cc3)oc12 653823851 QWRBULGECBAVHD-UHFFFAOYSA-N 413.521 5.170 0 1 HKAF Clc1ccc([C@H]2CCC[C@]3(C2)c2ccsc2CCN3Cc2cccnc2)cc1 962994213 CIMAVZCMHJRAQZ-RDPSFJRHSA-N 408.998 6.408 0 1 HKAF Clc1ccccc1[C@@]1(c2ccsc2)c2ccsc2CCN1Cc1cccnc1 963000982 XTJNZVLCDTVQFV-QHCPKHFHSA-N 423.006 6.208 0 1 HKAF Fc1cccc2c1[C@@H](c1cccnc1Sc1ccc(Cl)cc1)N1CCC[C@H]1C2 963119898 ZYUFWXPYEPLWIJ-HTAPYJJXSA-N 410.945 6.135 0 1 HKAF Cc1ccc([C@]2(C)c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)c(C)c1 963862490 ABWISKVOOCYKRX-FQRUVTKNSA-N 423.553 5.512 0 1 HKAF CO[C@H]1CCCN(Cc2cc(-c3ccc(C(C)C)cc3)n(-c3ccc(F)cc3)n2)C1 1857543441 JUDQOXAYUIHRDN-DEOSSOPVSA-N 407.533 5.413 0 1 HKAF CC(C)CCC[C@@H]1C(=O)OC[C@]23CC=C4[C@H](CC[C@@H]5C[C@H](O)CC[C@]45C)[C@H]2CC[C@@H]13 2356416715 CFTJBNVECMZNQS-NULSPZFJSA-N 414.630 5.906 0 1 HKAF COc1cc(OC)c2c(c1)O[C@H](c1ccc(O)cc1)C[C@@H]2C=Cc1ccc(O)cc1 2356457423 PEFRTDSZTRQEAJ-AVRDEDQJSA-N 404.462 5.436 0 1 HKAF CO[C@@H]1OC(=O)C2=C1CC[C@H]1[C@]2(C)[C@H](O)C[C@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C 2356498174 LIUVCTFOPNCVFW-HWEWQHHQSA-N 416.602 5.242 0 1 HKAF CC1(C)OC[C@]2(C[C@@]34CC[C@@]5(C)[C@@](C)(CCC[C@@]5(C)C(=O)O)[C@@]3(C)CC[C@H]2C4)O1 2356658050 DAKMSHJUXZBDNR-LGZVGFCJSA-N 404.591 5.786 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@@]1(O)[C@@H](O)C3 2356682182 NWTTZHBMXCCOSW-USXLPQRLSA-N 416.646 5.539 0 1 HKAF COc1ccccc1CNc1nc(NCc2ccccc2SC)c2sccc2n1 61908734 OYYSRSWMZYHEIX-UHFFFAOYSA-N 422.579 5.646 0 3 HKAF N[C@H](c1ccccc1)c1csc(NC(=O)Nc2ccccc2Oc2ccccc2)n1 61930725 BHAANUCEUMXLIS-OAQYLSRUSA-N 416.506 5.628 0 3 HKAF COC(=O)c1ccc2nc(C3CCCCC3)c(Cc3ccccc3C(F)(F)F)n2c1 72138100 KMQPASCXGLNFTO-UHFFFAOYSA-N 416.443 5.778 0 3 HKAF C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc(CSc4ccccc4)nc3[C@@H](C)[C@H]21 3840405 KJMYEPALBFHMKS-DGQMRZNCSA-N 413.608 5.689 0 1 HKAF O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(-c2ccccc2)cc1 5213577 NWKGCNQXARSRQM-UHFFFAOYSA-N 406.894 6.032 0 1 HKAF O=C(N[C@H]1CCCc2ccccc21)c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1 6751494 JXBBXRBNGDADHC-WTYVLRPYSA-N 413.926 5.048 0 1 HKAF COc1cc(O)c(C(=O)CCc2ccccc2)c2c1[C@@H]1C[C@H](C(C)C)C=C[C@@]1(C)O2 13308445 HQPBWCKPGXUXIH-UYXZNNOOSA-N 406.522 5.683 0 1 HKAF biogenic C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)Cc1ccc(F)cc1 13560796 SJFOBBRNTWNCES-AFESJLNVSA-N 420.503 5.500 0 1 HKAF O=C(OCCCCCN1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1 13737413 MXOMQHROYBDAGW-UHFFFAOYSA-N 419.609 6.092 0 1 HKAF CC[C@@H](C)CCCCCCCCCCCCCCCCCCCCCCC(=O)O 14591988 QKVYEHVFHQOMSA-AREMUKBSSA-N 410.727 9.699 0 1 HKAF biogenic,in-vitro CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2ccc(C(=O)O)cc2)c(C(C)(C)C)c1 26272074 VKRPGWNERAWLFL-UHFFFAOYSA-N 409.570 6.530 0 1 HKAF Fc1ccc2nc(-c3ccc(-c4ccc(CNC[C@@H]5CCCO5)cc4)cc3)[nH]c2c1 45203031 GFQQWZFLEPDOSL-QFIPXVFZSA-N 401.485 5.305 0 1 HKAF Cc1cc(C)c(S(=O)(=O)N2CCCCC(c3cccc(C(F)(F)F)c3)=N2)c(C)c1 45227828 USMMSMKXGPAWKE-UHFFFAOYSA-N 424.488 5.210 0 1 HKAF CC(C)=CCC/C(C)=C/[C@H](Cc1ccccc1)NCCNC1C2CC3CC(C2)CC1C3 45260313 KWLWOGDCAMISSC-BSGOPPCJSA-N 420.685 6.294 0 1 HKAF O=C(Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1cccc(Cl)c1 49051816 DXSPGJFVYAHASL-UHFFFAOYSA-N 418.802 5.863 0 1 HKAF CN1CCCc2cc(NC(=O)/C=C\c3ccc(-c4ccc(F)cc4F)o3)ccc2C1 64394310 XSFWRAQVKNCVAQ-FLIBITNWSA-N 408.448 5.255 0 1 HKAF Fc1ccc(N2CCN(CCCCn3cc(-c4ccoc4)c4ccccc43)CC2)cc1 72117074 PEMATLYHNQVAPX-UHFFFAOYSA-N 417.528 5.643 0 1 HKAF CSc1nc(Nc2cccc(Cl)c2)c2cnn(C[C@@H](C)c3ccccc3)c2n1 72125735 RUGWEHSJQOJATO-CQSZACIVSA-N 409.946 5.749 0 1 HKAF COc1cc(OC)cc(-c2cc3c(Nc4ccc(SC)cc4)nccc3n2C)c1 82083768 FKJLQKQHCKNMRS-UHFFFAOYSA-N 405.523 5.723 0 1 HKAF CCCCCc1nc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccc(F)cc2)oc1C 82164431 SITJNVOIEYTXCP-IBGZPJMESA-N 424.520 5.570 0 1 HKAF Cc1cccc(-c2nc(NC[C@H]3CCCO3)ncc2-c2nc3ccccc3s2)c1 82173195 BEWKXIOPGXOVFW-QGZVFWFLSA-N 402.523 5.320 0 1 HKAF O=C(c1ccc(F)cc1)N1CCc2sccc2[C@@H]1c1ccc(C(F)(F)F)cc1 84671155 IRUGXYXZAWUWES-IBGZPJMESA-N 405.416 5.694 0 1 HKAF CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2C(=O)c2cccc(Cl)c2)cc1 84710757 SGHNUKOSKYHHPV-GOSISDBHSA-N 416.952 6.729 0 1 HKAF c1ccc(-n2cc[n+]3c2[C@H]2c4ccccc4[C@H]3CC2(c2ccoc2)c2ccoc2)cc1 100726756 WGDONZLYAXXXOL-JWQCQUIFSA-N 405.477 5.376 0 1 HKAF CCCCCC[C@@H](O)c1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1 116277249 JZTXDXUREYZCFA-RUZDIDTESA-N 418.968 7.326 0 1 HKAF C[C@H]1C[C@@H](CNc2ccccc2)CC[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1Cl 117311082 MAFXSFPELKMUMP-AVYPCKFXSA-N 424.894 6.006 0 1 HKAF CCCC1([C@@H](O)c2ccc([C@H]3CCC(=O)[C@@H]3C/C=C\CCCC(=O)O)cc2)CCC1 117762264 XIXOQXADHJXXFO-TUHXMILOSA-N 412.570 5.954 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 119266673 YYVUMXYSCXRWIL-HUUVMUGQSA-N 416.690 6.584 0 1 HKAF in-man C[C@H]1CN=C(C(=O)[C@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)C1 153071628 FLJSFXUJSLIIFB-FGTZFSIMSA-N 413.646 5.692 0 1 HKAF CC[C@@H](c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1)N(CC)CC 165214601 WFAKQSQXTGGGGY-IBGZPJMESA-N 406.551 5.908 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCCC(=O)N1Cc1ccc2nc(C)sc2c1 215900759 NWFKASOEMQBZIN-SFHVURJKSA-N 410.539 5.266 0 1 HKAF C/C=C(/C)C(=O)O[C@H]1C(=O)[C@@H](C)[C@](C)(CC[C@H](C)CC(=O)O)[C@H]2CCC=C(C)[C@]12C 238738438 XCQRBNYBYVJECB-TXWJAMHHSA-N 418.574 5.343 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC=C5[C@@H](CCC(=O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@H]2C1 238776040 XUPCBKGIPJPDGW-YZUYMEKQSA-N 424.713 8.377 0 1 HKAF COC(=O)[C@H]1[C@H](c2ccc(F)cc2)C[C@H]2CC[C@H]1N2CCCCCc1ccccc1 253632997 FZUMFPXNHOWEJA-RCTAOEEJSA-N 409.545 5.348 0 1 HKAF C[C@@H]1C[C@@H]1c1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)n(Cc2ccccc2)n1 299828641 SDGQPBBLLYNKGX-KDOFPFPSSA-N 414.431 5.718 0 1 HKAF COc1c(C)c(C)c2c(c1C)CC[C@@](C)(COCc1cc(-c3ccc(O)cc3)no1)O2 299835372 DSNORUJKNRVIGA-VWLOTQADSA-N 423.509 5.282 0 1 HKAF C[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)cc2C(=O)O)CC1 299847101 HFKAKBIWSCCMQC-HDJSIYSDSA-N 421.415 5.961 0 1 HKAF C1=CN2CCCCCN3C=CC(=NCCCCN=C1c1ccccc12)c1ccccc13 377756200 GCCRVTGOPAILGE-UHFFFAOYSA-N 410.565 5.597 0 1 HKAF COc1cc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cc1F 586982236 ITWWQLLXKMZKFA-CQSZACIVSA-N 405.311 5.846 0 1 HKAF COc1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cc(Cl)c1OCC(C)C 587044502 GKTNNUFZKOQRLO-UHFFFAOYSA-N 400.693 5.629 0 1 HKAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cc(Br)cc(F)c3[nH]2)c1 587052112 ZPJQMLNVLOOIMA-UHFFFAOYSA-N 410.674 5.379 0 1 HKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 587066130 JQCSEPCZUZTHKI-GFCCVEGCSA-N 423.738 6.214 0 1 HKAF CCOC(=O)[C@@H](c1ccccc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096304 CDYZGOCAWHFWJH-QHCPKHFHSA-N 407.469 5.450 0 1 HKAF COc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1OC(C)=O 587098810 UUTDVWYLTXQMEM-UHFFFAOYSA-N 409.441 5.356 0 1 HKAF Cc1cc(Cl)c(C)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1Cl 587104355 RPFFEBSIPRBFEL-UHFFFAOYSA-N 404.296 7.037 0 1 HKAF FC(F)(F)Sc1ccc(/C=C\c2nc3cc(Br)cnc3[nH]2)cc1 587125880 UYFBMUGDJCFQHW-UTCJRWHESA-N 400.223 5.503 0 1 HKAF COc1c(F)ccc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1N 587134921 RCMSLWIMDXYFEH-UHFFFAOYSA-N 422.298 5.147 0 1 HKAF Cc1c(Br)cc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2c1C 587136184 LBXKKCHXBUCXNG-UHFFFAOYSA-N 406.299 5.508 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c(F)c2)c(F)c1 587152531 PILYCCARHVLQEJ-UHFFFAOYSA-N 422.328 6.342 0 1 HKAF O=C(O)c1cc(F)cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587159869 WOMZEBBAUSEIRL-IBGZPJMESA-N 414.795 5.361 0 1 HKAF Cc1nc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2cc1Br 587192806 DOQLKCUJQHZVDY-UHFFFAOYSA-N 407.315 5.236 0 1 HKAF C[C@@]1(c2c[nH]cc2-c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344205 GOCJPBZVGHTUCC-AHWVRZQESA-N 413.448 5.801 0 1 HKAF C[C@]1(C2(c3ccccc3)CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348957 BAXBJBRZRDEEGJ-RSXGOPAZSA-N 416.492 6.161 0 1 HKAF CCc1cccc2c1OCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356291 JFDFQBWFRPFFCJ-DHLKQENFSA-N 404.437 5.131 0 1 HKAF COc1cc(OC)cc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1 587363817 VYOWHQXGRAJJTF-UHFFFAOYSA-N 411.457 6.341 0 1 HKAF C[C@]1(c2cccc(NC(=O)c3ccccc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587510311 GFZHTYXVXNFEDA-HHHXNRCGSA-N 411.501 5.698 0 1 HKAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OCc2ccccc2)c1 587520980 CBLXIWFWHHSFKX-AREMUKBSSA-N 414.501 5.860 0 1 HKAF CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCC(C)C 587521604 IOMRNRNWAIDHEN-DEOSSOPVSA-N 408.538 6.096 0 1 HKAF CCCCCOc1ccc([C@@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521742 JWJAYMTVQDVQKB-MHZLTWQESA-N 404.550 6.405 0 1 HKAF O=C1C[C@@H](c2ccccc2OC/C=C\c2ccccc2)Oc2c1ccc1c2CCCC1 587526208 SGEQOVCQIUNTHI-MPQNEAISSA-N 410.513 6.364 0 1 HKAF C[C@]1(c2c(Cl)cccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547943 VKNHNPCXGRQBAQ-WIYYLYMNSA-N 401.245 5.576 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)c1C(F)(F)F 587550370 VCCLWESENABRTR-OXQOHEQNSA-N 404.315 5.253 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OC1CCCC1 587599394 FUKGBBFHJJAPCW-RCZVLFRGSA-N 402.446 5.417 0 1 HKAF CCCC[C@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606471 DCQCWQXWHCMJFD-RCZVLFRGSA-N 418.445 5.168 0 1 HKAF CCCC[C@@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606472 DCQCWQXWHCMJFD-RDGATRHJSA-N 418.445 5.168 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CN2CCCCC2)s1 587615097 VQJJRFITNAQGKZ-QPPBQGQZSA-N 421.518 5.143 0 1 HKAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1cc(F)ccc1Br 587622261 HJINADFZYFIGGT-UHFFFAOYSA-N 423.083 5.684 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc4c(c3)OCCO4)c2c1 587640274 GTWFFHARULJIQS-GFCCVEGCSA-N 403.400 5.702 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3C(F)(F)F)c(C)c2c1 587641567 MNCMSRWZGSSUHK-LLVKDONJSA-N 410.277 7.438 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C)c(CN(Cc3ccccc3)C(=O)OC(C)(C)C)c2c1 587642794 OTXRIRHCDFSMLU-SFHVURJKSA-N 406.570 6.927 0 1 HKAF Cc1cc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587709753 NVKHYKSRESAUOD-BMLIUANNSA-N 420.219 5.376 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(Cl)ccc2C(F)(F)F)N1 587710684 HCJRKERQUDWGMW-UOWDBTKRSA-N 423.635 5.279 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)cc2OC(F)F)N1 587721773 XINWDEBPWSMEOF-YYSFKGJASA-N 418.228 5.126 0 1 HKAF CCCCn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587758529 QNAIOSADKHCENZ-JLCFBVMHSA-N 415.350 5.967 0 1 HKAF CCCOc1ccc(CC)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587798165 XTVZRKPUBYTVLU-ASSNKEHSSA-N 406.339 5.563 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2-c2ccsc2)N1 587854210 QMRSLNFMSWRUQY-NSPYISDASA-N 403.320 5.335 0 1 HKAF CCc1ccc(O[C@H](C)C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 587862416 NFDXFJWKPMNWNI-CQSZACIVSA-N 418.415 5.248 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C)nc2ccc(C)cc12 587865785 IWHXKOPUEQTXMH-UHFFFAOYSA-N 411.427 6.122 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)N[C@@H]1CCCC[C@H]1C 587866671 IRLTWXHXQAGYKM-CZUORRHYSA-N 411.493 5.269 0 1 HKAF COc1ccc(CCCc2nc3cc(Br)c(C)c(C)c3[nH]2)c(OC)c1 587929064 PBFQNIUWEYTNSA-UHFFFAOYSA-N 403.320 5.135 0 1 HKAF Cc1cc(OC(C)(C)C)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O 587946466 UYTFALWQTBDAEI-UHFFFAOYSA-N 407.489 5.265 0 1 HKAF CC(=O)N(c1nc([C@@H]2NCCc3ccc(F)c(C)c32)cs1)c1cccc(C)c1C 962095115 VJTXRHSMMIHXHY-QFIPXVFZSA-N 409.530 5.127 0 1 HKAF COc1cc2c(cc1OC)[C@@H](c1cc(Cl)cc(Br)c1)N(C)[C@H](C)C2 962575852 WBVMLORDRXMIEE-NSPYISDASA-N 410.739 5.086 0 1 HKAF CC1(C)Cc2cccc([C@H]3c4ccccc4C[C@H]4CN(c5ccccc5)CCN43)c2O1 962634289 IEFNGOWRHUABMO-JYFHCDHNSA-N 410.561 5.236 0 1 HKAF COc1cc2c(cc1OC)[C@H](c1cccc(-c3ccc(Cl)cc3)n1)N(C)[C@H](C)C2 962640042 YKHBZNFUSYUWLF-OYLFLEFRSA-N 408.929 5.385 0 1 HKAF C[C@H](Oc1ccc2ccc(=O)oc2c1)[C@@]1(C)NCCc2cccc(-c3ccccc3)c21 962669921 PTIJFWJADACANI-XRHLQHRESA-N 411.501 5.288 0 1 HKAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2ccccc2-c2ccsc2)N1 962706316 XDUPILVLSVZYDG-RTBURBONSA-N 421.415 5.261 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1ccc(C(F)(F)F)cc1)c1cnccc1C 963242429 PWGNICSCBJYYOZ-UQBPGWFLSA-N 424.510 6.357 0 1 HKAF Oc1ccc2c(c1)[C@](CCc1ccc(F)cc1)(c1ccccc1C(F)(F)F)NCC2 963341997 PWIKKYJRPHQNAR-QHCPKHFHSA-N 415.430 5.572 0 1 HKAF O=C(O)c1ccc(CNCc2cc3cccc(-c4ccc5ccccc5c4)c3s2)cc1 1772646406 JUYVBCATYWASPM-UHFFFAOYSA-N 423.537 6.710 0 1 HKAF O=C(NCc1c[nH]c2ccccc12)Nc1cc(Cl)c(Br)c(Cl)c1 1857624630 DNVUWDKTIHIWGI-UHFFFAOYSA-N 413.102 5.559 0 1 HKAF O=C(O)[C@@H]1CS[C@H](c2ccccc2Cl)N1C(=O)c1ccc(-c2ccccc2)cc1 1857632052 ZRDARTYKDDLPDI-RBBKRZOGSA-N 423.921 5.348 0 1 HKAF CSc1ccc(/C=C2/C(C)=C(CC(=O)N3CCN(C)CC3)c3cc(F)ccc32)cc1 1857743645 ONFBFEPOKFXDBR-HMAPJEAMSA-N 422.569 5.039 0 1 HKAF c1ccc(CC2CCN(C[C@@H]3CS[C@]4(CCCc5ccccc54)S3)CC2)cc1 1911577109 CPJJMPKJBZZIIY-ILBGXUMGSA-N 409.664 5.979 0 1 HKAF CC(C=CC[C@@H](C)C=C1C=C(CO)C(=O)O1)=CCCc1coc(Cc2ccoc2)c1 2356312462 ARINKCAHTYUDEB-LJQANCHMSA-N 408.494 5.284 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@H](OC(=O)C(C)=CC)[C@]2(C)[C@@H]1C 2356549809 GEPTVWUAPAVGBV-COCWEHISSA-N 414.542 5.625 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC=C2C3=C(CC[C@@]21C)[C@]1(C)CC[C@@H](O)C[C@@H]1CC3)C(C)C 2356604995 MZYZVYBSCOUPPO-QVNQFXOPSA-N 410.686 8.009 0 1 HKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H]1CC[C@H]2[C@@H](O1)[C@H](C)[C@@H](C)[C@@H](O)[C@H]2C 2356606601 WIGCFUFOHFEKBI-OWYHTGFVSA-N 422.738 7.872 0 1 HKAF CC1(C)C=Cc2c(O)c(C(=O)c3ccccc3)c3oc(=O)cc(-c4ccccc4)c3c2O1 1653272 YIMMSKZEXWJKNU-UHFFFAOYSA-N 424.452 5.581 0 1 HKAF biogenic COc1ccc(C2=CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](OC(C)=O)CC[C@H]43)C2)cc1 13408914 KXXIKUQRERCHIS-ASZAQUKNSA-N 422.609 6.663 0 1 HKAF biogenic O=C(O)CCCCCCCSc1cc(-c2ccccc2)c(-c2ccccc2)nn1 13470402 KPSUWGUGZFDQTE-UHFFFAOYSA-N 406.551 6.328 0 1 HKAF Cc1ccc(C(=O)N[C@@H](CC2CCN(Cc3ccc(C)c(C)c3)CC2)C(C)C)cc1 13553772 YSUZANLXQIVPEN-SANMLTNESA-N 406.614 5.669 0 1 HKAF O=Nc1c(-c2c(O)[nH]c3ccc(I)cc23)[nH]c2ccccc12 13588925 WCCYEJYTLNWYCC-UHFFFAOYSA-N 403.179 5.024 0 1 HKAF CN(C(=O)c1ccc(C(F)(F)F)cc1)c1cc(-c2ccccc2)sc1C(=O)O 13589572 CMAGIUFBBODTED-UHFFFAOYSA-N 405.397 5.409 0 1 HKAF CC(=O)N1c2ccc(OCCc3ccccc3)cc2[C@](C)(c2ccccc2)CC1(C)C 13611402 BDOHZKGDZKJGLM-NDEPHWFRSA-N 413.561 6.149 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(Cl)cc1)Oc1ccc(F)cc1-3 13777143 NTTRQYICIVZJOG-DEOSSOPVSA-N 405.900 7.235 0 1 HKAF CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(-c4ccccc4)cc23)C1(C)C 14975871 AVZZJQBTDOHRFF-UHFFFAOYSA-N 415.577 6.600 0 1 HKAF C(OC(c1ccccc1)c1ccccc1)=C1C[C@@H]2CC[C@H](C1)N2CCCc1ccccc1 27718849 NLAHVKVXIGHJAJ-ISILISOKSA-N 423.600 6.936 0 1 HKAF O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OCCCc2ccccc2)O1 29412640 IONSZDAOHHEDNZ-RKQNLGICSA-N 421.320 5.085 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C[C@@H]1C[C@H]3O 40164551 HHVQPBXBALLUDF-RSYLUPHDSA-N 418.662 5.618 0 1 HKAF endogenous,in-man COc1ccc(C)c(Nc2ccnc(Nc3cccc(-c4nc5ccccc5[nH]4)c3)n2)c1 45186658 YXYJAGJSXJWMBX-UHFFFAOYSA-N 422.492 5.824 0 1 HKAF Fc1ccc(Nc2ncnc3[nH]c(CCc4ccccc4)cc23)cc1C(F)(F)F 49088568 XYZHMUBWCKVNFD-UHFFFAOYSA-N 400.379 5.645 0 1 HKAF C/C(=C\Cc1cc(O)c(C)c(C)c1O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 62237548 SUFZKUBNOVDJRR-DSBNWKJFSA-N 416.690 8.643 0 1 HKAF in-vitro Cc1nc(-c2cnc(NCCOc3ccccc3)nc2-c2ccccc2F)oc1C 82175527 PHBLUNJVQWCKTJ-UHFFFAOYSA-N 404.445 5.045 0 1 HKAF CCCCCn1c(C2CCCCC2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188295 QRNYVMJLUZYMRZ-LJQANCHMSA-N 405.590 6.280 0 1 HKAF COc1ccc(C2=NN(C(=O)c3ccc(C)nc3)[C@@H](c3ccc(Cl)cc3)C2)cc1 84704273 JEMOYIHPDNWXED-JOCHJYFZSA-N 405.885 5.044 0 1 HKAF COC(=O)c1cccc(CN2C(=O)C[C@H](c3ccccc3)Sc3ccccc32)c1 95592687 GJHSUHATVMSJSM-JOCHJYFZSA-N 403.503 5.244 0 1 HKAF CCOC(=O)/C(=C\Nc1ccccc1Cl)c1ccc(OCc2ccccc2)cc1 96178847 AUCFYCUJLHAIAI-PGMHBOJBSA-N 407.897 5.935 0 1 HKAF COC12C[C@H]3C[C@H](C1)CC(c1nnc4c(Oc5cccc(Cl)c5C)cccn14)(C3)C2 101426879 QEBHYWPLCVDWCM-GAAJCNLQSA-N 423.944 5.720 0 1 HKAF Cn1cc(-c2cc3cnc(Nc4ccccc4Cl)cc3n2C(=O)OC(C)(C)C)cn1 103250476 UUEVHHGQYRGYSY-UHFFFAOYSA-N 423.904 5.617 0 1 HKAF COc1ccc([C@H](Nc2nc3c(Cl)cccc3s2)P(=O)(OC)OC)cc1 103299984 AMBKCSAHRIMACA-MRXNPFEDSA-N 412.835 5.555 0 1 HKAF CC[C@@H](C(C)=O)N1CCC(N(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 103303250 ZQRDCRBEVYHLGZ-NRFANRHFSA-N 405.464 5.071 0 1 HKAF CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 104699712 BUHDORAWYOHTOO-JOCHJYFZSA-N 420.440 5.001 0 1 HKAF CO[C@H](C)c1c(N(CCCF)S(=O)(=O)c2ccccc2)sc2ccccc12 115230907 KYGOJUNEKTWOLR-OAHLLOKOSA-N 407.532 5.164 0 1 HKAF O=C1NC[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)N1c1ccc2[nH]cnc2c1 116829029 WDZOAPQQZAASFW-OAQYLSRUSA-N 423.303 5.808 0 1 HKAF Oc1c(Br)cc(/C=C/c2ccccc2C(F)(F)F)cc1Br 139394881 JELDTRTWPZTKFO-AATRIKPKSA-N 422.038 6.106 0 1 HKAF COc1cc(-c2cc(OC)c3c(O)cc(C)cc3c2O)c(O)c2cc(C)cc(O)c12 238745275 CMCRREGYVZRYNZ-UHFFFAOYSA-N 406.434 5.116 0 1 HKAF CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@H](C)[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C)C(C)C 255286948 ZGEARXVVLFISLP-LQRLQYHKSA-N 424.713 7.967 0 1 HKAF CCCCCNc1cccc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)n1 299839278 XLUUTKUEUVWPKI-UHFFFAOYSA-N 408.933 6.648 0 1 HKAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 586916008 UCGSCHXAUBKGMS-UHFFFAOYSA-N 400.221 5.033 0 1 HKAF Cc1ccc(-n2cnnc2SCc2nc3cc(Cl)cc(C)c3[nH]2)cc1Cl 586968462 RROZRWNFFVSJHM-UHFFFAOYSA-N 404.326 5.360 0 1 HKAF COc1cc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cc1C 586983198 WZLMDDODTBOFDL-MRXNPFEDSA-N 401.348 6.015 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccccc1[C@H]3c1ccccc1 586990586 LWTNKHZBGMARRB-HSZRJFAPSA-N 411.460 6.312 0 1 HKAF Cc1ccc2c3c(cc(Cc4c(Cl)cccc4Cl)nc13)-c1ccccc1C2=O 586992535 CTHXZZLLUYQIPF-UHFFFAOYSA-N 404.296 6.652 0 1 HKAF Cc1ccc2c3c(cc(-c4c(O)cccc4Br)nc13)-c1ccccc1C2=O 586994097 UEBNYNZDOPMOCA-UHFFFAOYSA-N 416.274 5.890 0 1 HKAF Cc1cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cc1Cl 586998504 LIIARXSYAQPINI-VQHVLOKHSA-N 413.702 6.718 0 1 HKAF Clc1cnc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2c1 586998763 QMSRKQVXJJSIIZ-SOFGYWHQSA-N 400.663 5.804 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(Cl)ncc2[nH]1 587087377 PNTXQOKPJOKASJ-SREVYHEPSA-N 418.715 5.642 0 1 HKAF Nc1cc(Br)cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1O 587100892 BHARTSWBULUTNV-UHFFFAOYSA-N 417.262 5.164 0 1 HKAF Cc1c(-c2cc(F)cc(C(F)(F)F)c2)nc2cccc3c2c1-c1ccccc1C3=O 587104426 TZQBTHCLUJSMTL-UHFFFAOYSA-N 407.366 6.580 0 1 HKAF O=C1c2ccccc2-c2cc(Cn3nc(C(F)(F)F)cc3C3CC3)nc3cccc1c23 587104432 UEAKHRNQPQMYKM-UHFFFAOYSA-N 419.406 5.587 0 1 HKAF COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1Cn1cccn1 587105118 PBROMJIKCARDOY-UHFFFAOYSA-N 417.468 5.367 0 1 HKAF FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c(Cl)cccc4[nH]3)n2n1 587120259 UZBISYYFSHHLPI-UHFFFAOYSA-N 413.790 5.612 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cccc(C(C)(C)C)c4[nH]3)cc2F)c1 587143913 NCRVPEHGPXTMRQ-UHFFFAOYSA-N 418.468 6.040 0 1 HKAF O=C1c2ccccc2-c2c(Cc3ccccc3)c(C3(O)CCCCC3)nc3cccc1c23 587206795 NFPJZRHMOBIIQG-UHFFFAOYSA-N 419.524 6.189 0 1 HKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(Br)c(O)c3[nH]2)c1 587239278 VITUNUUIURZJIY-UHFFFAOYSA-N 423.314 5.641 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCc3cccc(Cl)c3C2)[C@@H]1c1ccc(F)cc1 587328927 KXBSHRQOWXNXDE-VWNXMTODSA-N 408.856 5.471 0 1 HKAF CCOc1ccc([C@]2(CC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587347549 FEUXUVYDEINCKW-NOZRDPDXSA-N 406.453 5.594 0 1 HKAF O=Cc1cccc([C@@]2(C3CCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587352937 KIEIAPHYJHIXPM-AOYPEHQESA-N 416.448 5.398 0 1 HKAF Cc1ccc([C@@H]2CCC[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 587353636 LNHHQCCNXKDENM-FBILRYNDSA-N 402.465 5.905 0 1 HKAF COc1cccc(-c2cc(-c3cc(Cl)ccc3O)nc3c2oc2ccccc23)c1 587357027 DKUZSQYCEZJKSH-UHFFFAOYSA-N 401.849 6.683 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Br)cnc1Cl)CC2=O 587459937 QYKFRHSGPWIOGO-GOSISDBHSA-N 410.695 5.036 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(Cl)cc1N)CC2=O 587463473 XJBJDXXFWFYEOP-DEOSSOPVSA-N 407.897 5.489 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cccnc1)(c1c(F)cc(F)cc1F)CC2=O 587466965 RKCYTECTKFBQJA-HSZRJFAPSA-N 413.395 5.066 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](c2ccccc2)Oc2ccccc21 587482264 DLMJRRHJSVCRNH-RSXGOPAZSA-N 400.474 5.729 0 1 HKAF Cc1cc(-c2ccccc2[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F 587503563 HLNZPIHZBJNZTH-MHZLTWQESA-N 400.493 6.561 0 1 HKAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C(F)(F)F)c1 587546363 JNDSHUSQDYWZNP-WIYYLYMNSA-N 416.351 5.123 0 1 HKAF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1Cl 587721913 WPXPBEPBXRDDNZ-WNWIJWBNSA-N 402.666 5.013 0 1 HKAF Cc1onc(-c2ccc(F)cc2)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587731569 HDKBODJNVFOFHX-WVDJIFEKSA-N 419.269 5.314 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2OCC2CC2)N1 587731956 MHEQKDAPEAQJRM-BIBXISHDSA-N 408.286 5.140 0 1 HKAF Cc1cccc(N2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)c1C 587770675 SMTWEKLBZCBJAA-OAHLLOKOSA-N 417.366 5.235 0 1 HKAF CCCCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587790012 DQRZQKXIIPWVHP-LRTDBIEQSA-N 422.338 5.399 0 1 HKAF Cc1cc(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C=O 587816312 WGZJJTCGSJAWPZ-LRTDBIEQSA-N 404.323 5.124 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccc(C(C)(C)C)cc2)N1 587818786 JODLJECSMSUJCJ-LIRRHRJNSA-N 404.367 6.094 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccccc3)cs2)N1 587846879 JCQFMRWPBNQXJQ-YUNKPMOVSA-N 402.332 5.940 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)s2)N1 587849306 SIWAMNBUWSPZSG-ANRSDYALSA-N 419.157 5.210 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cscc2Br)N1 587851123 AJIFZJAYLMXMEV-ANRSDYALSA-N 419.157 5.210 0 1 HKAF C[C@H](c1ccc(Cl)cc1)[C@@]1(C)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962638526 LGZNYCHHIWRKLN-ZNZBMKLDSA-N 408.929 5.006 0 1 HKAF Cc1nn(CC(C)C)c(Cl)c1[C@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962711790 PXBSROUDVPNUMO-FOIQADDNSA-N 407.986 5.093 0 1 HKAF Cc1ccc(C)c([C@@]2([C@H]3CC[C@H](C(=O)O)CC3)c3ccc(F)cc3C[C@@H]3CCCN32)c1 963087372 CKQZWTVZUYOQOJ-FWADJWPSSA-N 421.556 5.598 0 1 HKAF C[C@]1([C@@H]2CCCN(C(=O)OCc3ccccc3)C2)c2ccc(F)cc2C[C@H]2CCCN21 963111815 ROUPVESSSQOXAD-HNVPCBRESA-N 422.544 5.110 0 1 HKAF C[C@@H](CCNC(=O)OC(C)(C)C)C[C@]1(C)NCCc2c(Cl)cc(Cl)cc21 963115287 ZZPMXPBJACINPC-RBZFPXEDSA-N 401.378 5.295 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1cccc(Cl)c1Cl)C(F)(F)F 963231122 QAGVUNBMQRACQX-BFUOFWGJSA-N 402.287 6.456 0 1 HKAF Oc1ccc(-c2cc(-c3ccccc3C(F)(F)F)nc3c2Cc2cccc(O)c2-3)cc1 1857561308 HUBUSTTVVGHQNQ-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF FC(F)(F)c1cc(NC2=NC/C(=C/c3ccccc3)S2)cc(C(F)(F)F)c1 1857566278 CGXHKQNIOLBXQK-UUASQNMZSA-N 402.363 6.280 0 1 HKAF COc1ccc(-c2ncccc2-c2nc3cc(OC)c(OC)cc3s2)cc1OC 1857591795 NEYAYIFDFIGHTQ-UHFFFAOYSA-N 408.479 5.060 0 1 HKAF Oc1ccc2cc1Oc1ccc(cc1)C=Cc1cccc(O)c1Oc1ccccc1CC2 1857628113 KPDAKMUWQKYMJC-UHFFFAOYSA-N 422.480 6.951 0 1 HKAF O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(OC(F)F)c(OCC2CC2)c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c1oc(O)c(CC)c(=O)c1C 2356741596 CQGOJARIWQVTKT-CVDCTZTESA-N 400.559 5.561 0 1 HKAF Cc1csc(-c2nc3ccccc3n2[C@H](C(=O)Nc2c(C)cccc2C)C2CC2)c1 95569901 CMXOCKOMWXMKTE-QHCPKHFHSA-N 415.562 6.280 0 3 HKAF c1ccc(-c2nc3ccccc3n2[C@@H](c2ccccc2)c2nc3ccccc3[nH]2)cc1 95599463 LMKVYGXBDPTSFN-VWLOTQADSA-N 400.485 6.217 0 3 HKAF COc1cc(Nc2cc(C)n(-c3ccc(Cl)c(OC)c3)c(=O)c2)ccc1Cl 199263114 VSMUUVHMPIAWPU-UHFFFAOYSA-N 405.281 5.214 0 3 HKAF Clc1ccccc1CO[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 3780990 MCBFENXHBLXDFW-KAYWLYCHSA-N 417.980 6.152 0 1 HKAF CC[C@@H](C)C(=O)c1c(O)c(C)c(OC/C=C(\C)CCC=C(C)C)c(C(C)=O)c1O 13307226 SLMXSSJVARUOAM-ASNKMWSDSA-N 402.531 5.909 0 1 HKAF biogenic,in-vitro CC(C)c1ccc(C2(CNC(=O)Nc3c(C(C)C)cccc3C(C)C)CCCC2)cc1 13736806 KBEYXMLRWVVRFI-UHFFFAOYSA-N 420.641 7.690 0 1 HKAF O=C(O)CC/C=C\C[C@@H]1CO[C@H](c2ccc(Cl)cc2Cl)O[C@@H]1c1cccnc1 13740452 XDZGJTGQHCYFCC-WUWCGCDCSA-N 422.308 5.602 0 1 HKAF CC/C(=C(/Cc1ccc(OCN2CCOCC2)cc1)c1ccccc1)c1ccccc1 26023633 GWZALFMCFWOXCI-BYYHNAKLSA-N 413.561 5.919 0 1 HKAF CCc1c(C)[nH]c(=O)c(/C=C/I)c1Oc1cc(C)cc(C)c1 28818726 AVCZDWRHIKXDGV-VOTSOKGWSA-N 409.267 5.061 0 1 HKAF CC(C)CC(=O)Nc1ccccc1-c1cccc2c(C(=O)c3cccs3)cnn12 28819335 NIXZTRAODMKRPV-UHFFFAOYSA-N 403.507 5.278 0 1 HKAF CC1=CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]1Cc1cc(C(=O)O)ccc1O 34451458 VIOMEESUKISOEL-XDEZJFBHSA-N 410.598 6.848 0 1 HKAF in-vitro CCOC(=O)c1ccc(-c2cc(O)c(Sc3ccccc3C(C)C)c(=O)o2)cc1 36124562 OWKTURPWBQBXJB-UHFFFAOYSA-N 410.491 5.464 0 1 HKAF COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cnc2ccccc2c1 49052192 XKCJUFAJCSYONZ-JIPXPUAJSA-N 414.549 5.951 0 1 HKAF COc1cc(Nc2nc3c(s2)CCC[C@H]3c2ccccc2)ccc1-c1cnc(C)o1 73161993 RDTBCENVWRYVSW-SFHVURJKSA-N 417.534 6.327 0 1 HKAF Fc1ccccc1Oc1cncc(NCCc2ccc(Oc3ccccc3)cc2)n1 82068608 DOGDTCYVMULXMA-UHFFFAOYSA-N 401.441 5.855 0 1 HKAF CCCCNc1ncc(C(=O)N(CC)Cc2ccccc2)c(-c2cccc(C)c2)n1 82147242 YVEVCQPUQBOGNE-UHFFFAOYSA-N 402.542 5.326 0 1 HKAF CO[C@@H]1Cc2c(-c3ccc(C)cc3)csc2C2(CCN(Cc3ccccc3)CC2)O1 95557765 GLBRVWCLOHSDAT-DEOSSOPVSA-N 419.590 5.760 0 1 HKAF O=C1CSC(N2N=C(c3ccc(Cl)c(Cl)c3)C[C@@H]2c2ccc(Cl)cc2)=N1 95577391 RHSAKZRCPXWFSW-MRXNPFEDSA-N 424.740 5.427 0 1 HKAF COc1ccc(-c2nnc(Nc3ccc(Oc4ccccc4)cc3)c3ccccc23)cc1 95597023 JOKZOIJXHRWYRD-UHFFFAOYSA-N 419.484 6.841 0 1 HKAF O=C(O)CCC/C=C\C[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1/C=C/[C@@H](O)CCc1ccc(Cl)cc1 100930926 OWLWEPFVFFUXLA-FCEIOABBSA-N 414.973 5.829 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3/C[C@@H](O)CC/C3=C/F)CCC[C@@]21C 102193675 GBYUWSOLZWQQPT-VTQDXBTCSA-N 402.638 7.916 0 1 HKAF Cc1ccc(Oc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2Cl)cc1Cl 136933487 BYAONKUTDKSCTA-UHFFFAOYSA-N 412.276 5.736 0 1 HKAF FC(F)(F)Oc1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 139356895 QDFOXXZCRDKWDI-UHFFFAOYSA-N 422.410 5.194 0 1 HKAF CCCc1cc(=O)oc2cc(NC(=O)Nc3ccc(F)cc3)c3c(c12)OC(C)(C)C=C3 169342928 HFZDXZHVOOKPIE-UHFFFAOYSA-N 422.456 5.713 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@@H]1c1ccc(-c2ccccc2)cc1 169728412 CFZAGKUIJPWFLD-RPWUZVMVSA-N 401.506 5.344 0 1 HKAF O=C1Nc2ccc(-c3csc(-c4ccncc4)n3)cc2/C1=C/c1cc2c([nH]1)CCCC2 221765427 MEZRWKZLWCBCOP-MOSHPQCFSA-N 424.529 5.572 0 1 HKAF COC(=O)CC(=O)OCC1=CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@@]12C 238741562 VPURRDSZEMLSDB-LFUSFCIXSA-N 402.531 5.097 0 1 HKAF CO[C@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]3CC[C@@H]2N(C)CCCC(C)C)C1 253634395 SIPYLDVEYNQDRT-MTLIHGQOSA-N 401.679 6.701 0 1 HKAF O=C(OC[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccs1)c1ccc2ccccc2c1 253685013 HKCXATAGMOKJIB-QSYHPQCUSA-N 415.558 5.624 0 1 HKAF CCCCCCN1C[C@H](O)[C@H](n2cc(-c3ccc(F)cc3)nn2)C[C@H]1c1ccccc1 253868788 GMPZFDPIEMHNIC-GVAUOCQISA-N 422.548 5.014 0 1 HKAF CC(=O)N(C)[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](N(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]21C 255206987 DNVZSDMHLPWULM-WHIDRWFVSA-N 400.651 5.362 0 1 HKAF CC(C)C[C@@H](O)[C@@H](O)[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 257415141 FHSVMYDBGPVTTJ-YBDIJDFCSA-N 420.678 5.410 0 1 HKAF endogenous,in-man CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O 299874821 BZCDRGDJCUQWJB-VLYJIQRVSA-N 422.569 5.273 0 1 HKAF O=c1c(-c2c(-c3ccco3)oc3ccccc3c2=O)c(-c2ccco2)oc2ccccc12 473130617 LDXFMYDMYKZDCL-UHFFFAOYSA-N 422.392 6.086 0 1 HKAF CC[C@H]1OCCC[C@H]1c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 586907490 AVLYCUOPRAJFRJ-CRAIPNDOSA-N 417.431 5.507 0 1 HKAF CCCC(Br)(CCC)c1nc2cccc(OCc3ccccc3)c2[nH]1 586971228 PHJZYDRLWGZNEL-UHFFFAOYSA-N 401.348 6.332 0 1 HKAF Clc1ccc(Br)cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 586980503 UOKJSGVQZLPVQT-UHFFFAOYSA-N 421.907 5.457 0 1 HKAF Cc1c(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029045 GQFXWGIZFKNISA-UHFFFAOYSA-N 424.835 5.385 0 1 HKAF Cc1c(Br)cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1C 587075656 GMDVBCSPBQYJNW-MRXNPFEDSA-N 404.695 5.213 0 1 HKAF CC(C)CCOc1cc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2cc1Br 587089362 BWALCMJRXKGBSO-CYBMUJFWSA-N 417.628 5.674 0 1 HKAF CCOc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1C 587105894 GRWYQKJSNSHDHL-UHFFFAOYSA-N 423.468 5.447 0 1 HKAF CC(C)(C)Oc1cc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c(N)cc1F 587136784 VTYWYWKXMGGZNF-UHFFFAOYSA-N 403.457 5.360 0 1 HKAF O=C(O)c1ccc(-c2cc(-c3nc4cc(Cl)cc(F)c4[nH]3)ccc2F)cc1F 587138735 SMTWGBSRKYROPQ-UHFFFAOYSA-N 402.759 5.666 0 1 HKAF COC(=O)[C@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)nc2cccc3c2c1CC3 587209808 YCSIALQAACKWLT-HSZRJFAPSA-N 413.904 5.959 0 1 HKAF c1ccc(COc2ccc3[nH]c(-c4ccc(CNCc5ccco5)cc4)nc3c2)cc1 587231632 CVRDUIUEMCKGPP-UHFFFAOYSA-N 409.489 5.692 0 1 HKAF COc1cccc(C[C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587348048 GEPZXVYCRVPIIR-AZGAKELHSA-N 418.464 5.290 0 1 HKAF CC[C@H](C)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587354606 OFACHRZWADPMIU-DTNWAODDSA-N 404.481 6.319 0 1 HKAF CCOC(=O)[C@H]1C[C@@H](C)Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587362636 LKODRZNVDYACFB-YWZLYKJASA-N 415.489 5.886 0 1 HKAF COc1cccc(-c2cc(CC(=O)Nc3cccnc3)nc3c2oc2ccccc23)c1 587362769 NCNLTFCHRQOZPX-UHFFFAOYSA-N 409.445 5.233 0 1 HKAF COc1cccc(-c2cc(-c3ccc4ncccc4c3)nc3c2oc2ccccc23)c1 587363707 TZFSDRPNVIWEHP-UHFFFAOYSA-N 402.453 6.872 0 1 HKAF CCCc1c(O)ccc2c1OC1(CCC3(CCCN3Cc3ccccc3)CC1)CC2=O 587487855 OLCPRTBQPRKUMM-UHFFFAOYSA-N 419.565 5.658 0 1 HKAF O=C1C[C@](c2ccccc2)([C@H]2CCCC[C@H]2C(=O)O)Oc2c1ccc1c2CCCC1 587529868 QZDPNBPNZTVZSI-QTISVLPJSA-N 404.506 5.317 0 1 HKAF Cc1ccc(-c2nc(C)c([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1 587533578 XNCTWGZUYHGCQM-RUZDIDTESA-N 403.547 6.186 0 1 HKAF Cc1ccccc1[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611694 JHQIVVVRWPFUOH-RCZVLFRGSA-N 414.482 5.668 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1c(Cl)cncc1Cl 587656319 XENLTESKTSDABB-UHFFFAOYSA-N 404.203 5.033 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1 587692297 BBXHLYBCFORKSK-GIGQVBGESA-N 420.713 5.255 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(O)cc2Cl)N1 587693164 MJJUSZWVUKOLJI-VGDKGRGNSA-N 405.094 5.224 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2C(F)(F)F)N1 587712100 NXDJEOUMIXICGW-VPTHRUTESA-N 422.647 5.884 0 1 HKAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1Cl 587714241 DWAZUYQNZWOQES-YPMLDQLKSA-N 400.694 5.487 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccccc3)nc2)N1 587767805 BDRSTOBVJIZXNZ-LRTDBIEQSA-N 413.290 5.399 0 1 HKAF Cc1cc(C)c2[nH]c(C)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587800170 APVIFHBRCFUNAQ-XUSGNXJCSA-N 401.323 5.618 0 1 HKAF COc1ccccc1[C@@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587804052 AEEDPTXDLJFWLV-LRTDBIEQSA-N 406.339 5.421 0 1 HKAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc12 587806280 HFUKXKFUASIVET-QKVFXAPYSA-N 400.291 5.374 0 1 HKAF Cc1ccc(-c2ncc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 587853504 NOTFBTCFPJQJPO-CWTRNNRKSA-N 417.347 5.644 0 1 HKAF CC(C)Oc1cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2cc1Br 587965124 OANFXBSLOQUNAE-UHFFFAOYSA-N 401.348 5.952 0 1 HKAF Fc1cccc(-c2cnc([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)[nH]2)c1 653723248 DNITWLZAUQRPQG-FYYLOGMGSA-N 416.500 5.052 0 1 HKAF c1ccc(N2N=C(c3ccc4c(c3)OCCO4)C[C@@H]2c2ccc3ccccc3c2)cc1 653899382 MUXBGPMGIZLAKQ-RUZDIDTESA-N 406.485 5.967 0 1 HKAF COc1ccc2c(c1OC)[C@@H](c1c(Cl)c(C=O)cc3ccccc13)N(C)[C@@H](C)C2 962573439 RVHDMFGJVPPBIX-PSLXWICFSA-N 409.913 5.289 0 1 HKAF Clc1cc(Cl)cc([C@@H](Cn2ccnc2)OCc2nc3ccccc3s2)c1 1772586051 LWPSCLQFSCJLMJ-QGZVFWFLSA-N 404.322 5.758 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](c3ccccc3)Nc3c(ccc4c3CCCC4)[C@@H]21 1857556796 YPEBIXGKOUDPHV-AKFKNWHVSA-N 404.554 6.030 0 1 HKAF CC(C)N=c1[nH]c2c(C(F)(F)F)cc(Cl)cc2c(O)c1C(=O)c1ccccc1 1857586338 GDNSGEOFKMTACC-UHFFFAOYSA-N 408.807 5.086 0 1 HKAF CC(C)(Oc1cccc(NCc2ccc(OCc3ccc(F)cc3)cc2)c1)C(=O)O 1857613876 JNYXQDRUONOBET-UHFFFAOYSA-N 409.457 5.259 0 1 HKAF O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(C2CCCC2)nc2ccccc12 1911583796 ZQHAVXCQGUXLSV-UHFFFAOYSA-N 418.846 6.817 0 1 HKAF C[C@H]1C[C@H]2CCC[C@@H](CC3=C4CCCN[C@@H]4C[C@H](C)C3)N2[C@@H](C[C@@H]2CCCCN2)C1 2356488608 UCTDBQQQSRQPNH-XBNRXYOZSA-N 413.694 5.409 0 1 HKAF CC=C(CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356490220 ARTLJRSXUMKHFS-IWYMYPQLSA-N 412.702 8.233 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1C(=O)CC[C@]2(C)[C@H]([C@H](C)C=C[C@H](C)C(C)C)CC[C@H]12 2356501024 LAFDOVHKCATTMZ-AZZSLIJVSA-N 410.642 7.129 0 1 HKAF CC(C)=CCCC(C)=CCC[C@H](C)[C@]1(C)CCC2=C1CC[C@@H]1C(C)(C)CCC[C@]21C 2356517413 JCONZYYZINSVKI-MDMAHDEASA-N 410.730 9.819 0 1 HKAF CCC[C@H](C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CC 2356658311 NLDBCFRIELDMRO-JHXIUNCFSA-N 412.702 7.945 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356668065 BVVFRHKBULZQCQ-XQHQCTRDSA-N 414.718 8.313 0 1 HKAF O=C1CCC[C@H]2[C@@H](Cc3ccccc3)[C@H](NCc3cccs3)CC[C@]23CCCN13 206041408 RFUWYIBYWPMILJ-STAYPELNSA-N 408.611 5.020 0 3 HKAF CC(C)(C)c1noc(-c2ccc(Cl)cc2F)c1C(=O)NCc1ccccc1F 2483746 XPWBYNKRBCYATE-UHFFFAOYSA-N 404.844 5.501 0 1 HKAF CC(C)(C)c1cnc(CSc2cnc(NC(=O)OCc3ccccc3)s2)o1 12355026 AVZTYQBOJJCITC-UHFFFAOYSA-N 403.529 5.470 0 1 HKAF CN(C)CC[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1 13684706 PXVQTBHXZHSXTC-QHCPKHFHSA-N 408.929 5.555 0 1 HKAF Cc1cc(OCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2cccc(C)c2n1 13728695 ASIFGKOXGPKZAR-UHFFFAOYSA-N 407.477 5.278 0 1 HKAF CCN1CCC(c2ccccc2)=C(C(=O)OCC(c2ccccc2)c2ccccc2)C1 13782821 VTIIDUICBWVYNS-UHFFFAOYSA-N 411.545 5.541 0 1 HKAF COc1ccc([C@@H]2COc3cc(O)c(CC=C(C)C)c(O)c3C2=O)cc1CC=C(C)C 14780917 NYKUNEKGAYOKPN-FQEVSTJZSA-N 422.521 5.483 0 1 HKAF biogenic CC(C)(C)c1ccc(NC(=O)c2scnc2CCc2noc3ccccc23)cc1 14946543 AMQHAFRDASCEOX-UHFFFAOYSA-N 405.523 5.619 0 1 HKAF C[C@@H](NC(=O)Nc1cccc2cnccc12)c1ccc(C(C)(C)C)cc1C(C)(C)C 14973683 GVBZLLZZBUJLCS-QGZVFWFLSA-N 403.570 6.713 0 1 HKAF CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc4cc(C(=O)O)ccc4c3O)ccc21 26728204 VKNSYWMNAQABJV-UHFFFAOYSA-N 402.490 5.824 0 1 HKAF Cc1cc(Cl)ccc1/C(=C/CC[C@@H]1CCC[C@H](C(=O)O)C1)c1sccc1C 29463872 UGEXRKOELCQQSF-XZWHCGSUSA-N 402.987 7.121 0 1 HKAF Fc1ccc(CN2CCC(Nc3nc4ccccc4n3Cc3ccccc3)CC2)cc1 29563873 SGWLJEINLQTIHB-UHFFFAOYSA-N 414.528 5.300 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@@H]3CC[C@H]1/C(=C/c1ccc(-c4ccc(OC)cc4)s1)CN2C3 36270864 MJYUGDRYDHXYRF-IKZMHAIKSA-N 423.578 5.101 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\C[C@H](O)C[C@@H](O)\C3=C/F)CCC[C@@]21C 38791708 SDBKJGWYBRQPAF-LUUWCOLKSA-N 418.637 6.887 0 1 HKAF CC(=O)Nc1cc(C)nc2ccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)cc12 40395384 GBHQMSGYKNZIPC-UHFFFAOYSA-N 403.269 5.452 0 1 HKAF CCCCC[C@H](C)[C@H](C)c1cc(OC(N)=O)c2c(c1)OC(C)(C)C=C2c1ccncc1 45322413 QNQLTBALJDNJAP-ROUUACIJSA-N 422.569 6.462 0 1 HKAF N=C(N)c1ccc2cc([C@@H]3C[C@H]3c3ccc4c(c3)C(C3CCCCC3)=NCC4)ccc2c1 58538673 OOFRCFJPOZMMHV-UIOOFZCWSA-N 421.588 6.320 0 1 HKAF CCC(CC)n1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC(C)=O)c1 64503571 BLOLSRPMQCVGGX-UHFFFAOYSA-N 412.534 5.793 0 1 HKAF O[C@@](c1ccc(Cl)cc1)(c1ccc(C(F)(F)F)cc1)c1ccc2ncccc2c1 72185762 ULWZTGOYIIDPTR-JOCHJYFZSA-N 413.826 6.191 0 1 HKAF Fc1ccc(N2CCC(N[C@@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)cc1 72185963 CZOVDRWGLAATBO-QHCPKHFHSA-N 413.899 5.361 0 1 HKAF CC[C@@H](C)Nc1ncc(C(=O)N(CC)Cc2ccccc2)c(-c2ccc(F)cc2)n1 82141749 DBYUUDOMLNSRMO-QGZVFWFLSA-N 406.505 5.155 0 1 HKAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NC3CCCC3)nc2-c2cccc(C)c2)C1 82145522 MPTYFMRATZYCFG-OALUTQOASA-N 406.574 5.457 0 1 HKAF CCCCNC(=O)c1cnc(NC2CCCC2)nc1-c1ccc(-c2ccccc2)cc1 82217279 FMNPZMIZYZASGQ-UHFFFAOYSA-N 414.553 5.695 0 1 HKAF COc1cccc(Nc2nc3c(-c4nc[nH]n4)cccc3c3sccc23)c1Cl 84616856 JXGOFCNAXBWAJO-UHFFFAOYSA-N 407.886 5.640 0 1 HKAF O=C1/C(=C\c2ccccc2Cl)c2ccccc2N1c1c(Cl)cccc1Cl 98083958 IMDOTPAZGALFAU-QINSGFPZSA-N 400.692 6.866 0 1 HKAF c1ccc(CN(Cc2ccccc2)Cc2nnc(-c3cc4ccccc4[nH]3)s2)cc1 102866790 QHLWXFZKWJVYSD-UHFFFAOYSA-N 410.546 5.889 0 1 HKAF Cn1c(-c2cc3cc(Br)ccc3[nH]2)cc2ccc(Br)cc21 103259858 DOBPBPSKCWAZFF-UHFFFAOYSA-N 404.105 5.852 0 1 HKAF COc1ccc(-c2c(S(=O)(=O)c3cccc(F)c3)cnc3c(F)cccc23)cc1 115922906 QPNUSCKEMAGBLE-UHFFFAOYSA-N 411.429 5.021 0 1 HKAF CCCOc1ccc([C@H]2[C@@H](c3ccccc3)OC(=O)N2c2ccc3nc[nH]c3c2)cc1 116828918 BPNUFMWEIQORLP-BJKOFHAPSA-N 413.477 5.791 0 1 HKAF Fc1ccccc1-c1c[nH]c2ccc(-c3nnc(NCC[C@H]4CCCCN4)s3)cc12 145432877 QMBHNDOJNFNUMI-MRXNPFEDSA-N 421.545 5.437 0 1 HKAF COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc([C@H](CN)C2CCCC2)cc1 164995411 ZKGSCDQJANFTPN-LJQANCHMSA-N 418.562 5.651 0 1 HKAF CC(=O)[C@H](CCCCCCC(=O)O)CCC[C@H](O)COc1ccc(C(C)(C)C)cc1 169316947 IOWSXDNPRCVHGW-IRLDBZIGSA-N 420.590 5.525 0 1 HKAF Oc1csc(N2N=C(c3ccc(Cl)c(Cl)c3)C[C@H]2c2cccc(Cl)c2)n1 169728183 IWCVGAAVTAFYJA-INIZCTEOSA-N 424.740 6.165 0 1 HKAF CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H]1N(C)COC[C@@]14C 197185504 CQGFNVQPOKZGIV-NFJXPMKSSA-N 412.662 5.388 0 1 HKAF O=C(O)/C=C/c1ccc(Oc2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1 221202577 PLFWTSTZSDJCFU-KGVSQERTSA-N 404.443 5.870 0 1 HKAF NC1(c2ccc(-c3nc4ccc(-c5ccccn5)cn4c3-c3ccccc3)cc2)CCC1 224720278 KGFCVDXTZKVKJN-UHFFFAOYSA-N 416.528 6.068 0 1 HKAF CC(C)C1=C(c2c[nH]c3ccccc23)[C@H]2[C@H](C)C[C@@H](O)[C@@]3(C)[C@H](C)CC[C@H](O)[C@]23CC1 238772778 GVGMWTZTHQRHRE-GVXBZOSHSA-N 421.625 6.172 0 1 HKAF O=C(Nc1cnccc1OC1CCCCC1)c1csc(-c2c(F)cccc2F)n1 299823563 QVAKUYTZVMRSAG-UHFFFAOYSA-N 415.465 5.447 0 1 HKAF Clc1ccc(C2(c3nnc4c(Oc5ccc6ccccc6c5)cccn34)CC2)cc1 299823847 BFSXCXZPOKQITB-UHFFFAOYSA-N 411.892 6.408 0 1 HKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 586983144 WFSUHZYKFDZTPC-HNAYVOBHSA-N 415.335 5.422 0 1 HKAF Cc1cc(Br)cc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c12 587019427 MCHYXXGLJLNQJF-UHFFFAOYSA-N 423.336 5.028 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(F)c(C)c3[nH]1)N2 587033629 ZDXBCCHNOZTXSD-LLUUXILJSA-N 402.520 5.137 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587034491 NMURSNMLXFSFFV-LBPRGKRZSA-N 419.337 5.751 0 1 HKAF COc1ccc2nc(-c3nc4c(C(F)(F)F)cc(C(F)(F)F)cc4[nH]3)sc2c1 587035945 XRWJRIMSCSDNJV-UHFFFAOYSA-N 417.334 5.886 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587074239 ULEGHVFDQUYMGO-UHFFFAOYSA-N 416.956 5.611 0 1 HKAF Nc1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cn1 587074826 CVWOHWVPYLLHME-RVDMUPIBSA-N 423.907 5.896 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1cc(Cl)ccc1SCC4)-c1ccccc1C2=O 587102834 ZHLZTSCQCAQISI-UHFFFAOYSA-N 413.929 6.723 0 1 HKAF CCCCCOc1cc2nc(-c3cc(F)cc(F)c3O)[nH]c2cc1Br 587134061 KFJXERDJNPGPOO-UHFFFAOYSA-N 411.246 5.545 0 1 HKAF Fc1cc(F)c(-c2nc3ccc(F)c(Br)c3[nH]2)cc1Br 587137642 DFTYDFBLPRDQQE-UHFFFAOYSA-N 405.999 5.172 0 1 HKAF C[C@@]1(c2cccc(Cl)c2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327182 FNYXAKLSRGJVCL-KNQAVFIVSA-N 417.263 6.112 0 1 HKAF CC(C)[C@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351370 GKNZNRPUCRKFJQ-AHWVRZQESA-N 404.481 5.918 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](c2nccn2C)CC3)c1 587362709 KPDSGKZIURGLBD-QGZVFWFLSA-N 409.489 5.663 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(F)cccc1O[C@H](C)c1ccccc1)O2 587382406 QWUGTDIYSKCABU-CPJLOUKISA-N 405.469 5.737 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3cc(Br)ccc3n1)CC2=O 587458902 MANNSHPCAUBNGP-FQEVSTJZSA-N 412.283 5.362 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)Oc1cccc(C(F)(F)F)c1)CC2=O 587464145 JORLKKOMYHJWSU-ASSNKEHSSA-N 408.416 5.555 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(F)c(Cl)c3)cc1)CC2=O 587468530 XMKFTGJVOJSSBP-QHCPKHFHSA-N 410.872 6.511 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1ccc(C(C)(C)C)cc1)CC2=O 587480112 NJCUOFXZBDNRLK-VWLOTQADSA-N 410.510 5.066 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(OC)c(OC)c3)cc1)CC2=O 587480229 OEBIQAAAFRJNGJ-DEOSSOPVSA-N 418.489 5.735 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccsc3C(=O)OC)o1)CC2=O 587494467 LYCYNFNXUPFMLG-IBGZPJMESA-N 412.463 5.159 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1cccs1)(c1cccc3ccccc13)CC2=O 587495768 TYIUJELBLHFDGZ-AREMUKBSSA-N 414.526 6.468 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cccc(C(=O)O)c3)s1)CC2=O 587496615 YQLBOOFZFPUNHD-IBGZPJMESA-N 408.475 5.478 0 1 HKAF C[C@@]1(c2cc(Br)cc3cc[nH]c23)CC(=O)c2ccc3c(c2O1)CCCC3 587500308 WCRPCJCRKNXKDX-QFIPXVFZSA-N 410.311 5.690 0 1 HKAF O=C1C[C@@](c2ccc(F)cc2)(c2cc(Cl)cs2)Oc2c1ccc1c2CCCC1 587504515 HMQFROQLRFBNLR-HSZRJFAPSA-N 412.913 6.328 0 1 HKAF O=C1C[C@H](c2sc(Oc3ccccc3)nc2Cl)Oc2c1ccc1c2CCCC1 587535027 HMUNEAZWBOTUMT-GOSISDBHSA-N 411.910 6.174 0 1 HKAF C[C@@]1(c2c(Cl)ccc(F)c2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552580 AVRFLNSXQCNCKY-UTKZUKDTSA-N 419.235 5.715 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(-c2cccs2)c1 587555963 ICEIOWDJEJZCAF-URXFXBBRSA-N 418.445 5.963 0 1 HKAF C[C@@]1(c2ccccc2OC(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557966 UHPORPKJESHXKJ-NQIIRXRSSA-N 416.351 5.168 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccn1)C1CCCCC1 587585841 GTVSFKZAZBRKOA-DHLKQENFSA-N 401.462 5.225 0 1 HKAF C[C@@]1(CC23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601436 FZPXXTHZYCWGGO-NDXAGAMCSA-N 404.506 5.719 0 1 HKAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@@H]1CCCN1C(=O)OC(C)(C)C 587623633 KQMNKSLKPLACGZ-AWEZNQCLSA-N 419.323 5.187 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(Sc3ncccc3C(=O)O)c2c1 587640478 DSSRLQCWSSMOED-AWEZNQCLSA-N 420.509 6.732 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(F)ccc2F)(C(F)(F)F)N1 587701308 CHOKBHMZYHZWNK-ZKANADHPSA-N 424.182 5.207 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2C(F)(F)F)N1 587710660 GWYNDKFXFILSDG-VPTHRUTESA-N 406.192 5.370 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2C(F)(F)F)N1 587711264 JHCFDDRSFQXYOI-DYZYQPBXSA-N 402.229 5.405 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)cc(C(F)(F)F)c2)N1 587711437 KDOKXOAVRMAQSO-XYZCENFISA-N 420.219 5.544 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(SC(F)F)cc2)N1 587722764 ZQCINDMTVWLVPR-YPMLDQLKSA-N 416.306 5.701 0 1 HKAF Cc1ccc([C@]2(c3cccnc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587771295 BUTSZSKPJYVHKO-OYHNWAKOSA-N 411.318 5.118 0 1 HKAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(Br)cc(F)c2[nH]1 587782516 NYDRUCWCTBDMSM-UHFFFAOYSA-N 413.246 5.416 0 1 HKAF Brc1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587784283 OSKIANNEHNNMKW-JYRVWZFOSA-N 405.295 6.075 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cc3ccccc3)cc2)N1 587815860 QSOIJVVNAMXGIP-GYCJOSAFSA-N 424.357 5.977 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](c3ccccc3)OC2(C)C)N1 587835390 WGRJINZWCIDVTM-QKAVXHIFSA-N 404.323 5.258 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC=C2CSc2ccccc2)N1 587845908 OUYDDMBUEGCMRB-LHSJRXKWSA-N 418.375 5.830 0 1 HKAF CCC[C@@]1(c2ccc(Cl)s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587847169 JNEYYSHCCWIOMQ-DYZYQPBXSA-N 402.760 5.881 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 587869827 SQKUPOGZJKEOBX-HNNXBMFYSA-N 416.880 5.466 0 1 HKAF Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587876062 KUXOSVPPBOSRDO-UHFFFAOYSA-N 411.845 5.448 0 1 HKAF COc1cccc([C@@H](C)Cc2nc3c(Br)ccc(Br)c3[nH]2)c1 587933037 YHKFFDAXDRERBA-JTQLQIEISA-N 424.136 5.443 0 1 HKAF Fc1ccc(Cc2ncc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cn2)cc1 587947038 QURRKPWCOPJQRY-UHFFFAOYSA-N 405.476 6.331 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(C(=O)O)cc2[nH]1 587948477 DMUPCCQTENUTQF-ULYRPOKDSA-N 420.509 5.546 0 1 HKAF C[C@]1(Cc2ccc(Cl)cc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962636699 OHMULDDCMCRGPT-RSXGOPAZSA-N 402.969 5.545 0 1 HKAF Cc1ccccc1CC[C@]1(c2ccc(Cl)c(Cl)c2)NCCc2c(C)ccnc21 963078604 YJGWPMVUUJZYLS-XMMPIXPASA-N 411.376 6.027 0 1 HKAF O=C1c2ccccc2[C@]2(c3c(F)cccc3C[C@@H]3CCCN32)c2c(Cl)cccc21 963086632 BFVNUVLTGUECNP-LMKMVOKYSA-N 403.884 5.336 0 1 HKAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2C1(C)CCCCC1 963904089 OMXJYFWEQPSNRF-WIYYLYMNSA-N 401.547 5.643 0 1 HKAF NC(=O)c1cc2cc(Cl)ccc2cc1OCC(=O)c1c[nH]c2cc(C3CC3)ccc12 1857653845 GXBHTIQFCBEPQI-UHFFFAOYSA-N 418.880 5.213 0 1 HKAF CC(=CCc1cc(C(=O)O)ccc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c1ccccc1CCn1cnc(-c2ccc(Br)cc2)c1CC(C)C 95598670 DJTRLRPGXLRICP-UHFFFAOYSA-N 413.359 5.762 0 3 HKAF COCOc1cc(-c2ccccc2)ccc1-c1ccc(C(=O)NCc2ccccc2)cc1 1540535 PRTKQGBTOIDYLQ-UHFFFAOYSA-N 423.512 5.933 0 1 HKAF C[C@H](C(=O)OCCc1ccccc1)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 3801143 YMNUQLHCSOVTHI-WMQCIHAUSA-N 408.563 5.671 0 1 HKAF CC1=C(CC/C(C)=C/CC/C(C)=C/Cc2cc(C(=O)O)ccc2O)C(C)(C)CCC1 13380943 QQJLPYXRXOCODZ-ZQYJZOSASA-N 410.598 7.613 0 1 HKAF Oc1noc(C2CCNCC2)c1Cc1ccc2ccccc2c1Sc1ccccc1 13607818 UCIQWRVUTVCZBG-UHFFFAOYSA-N 416.546 5.742 0 1 HKAF Cc1cccc(C)c1NC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 26954778 QAHXIOGYJOSPBU-NAOGOCSLSA-N 420.597 5.155 0 1 HKAF COc1ccc(C[C@@](O)(CC(C)(C)c2cc(F)ccc2OC)C(F)(F)F)cc1 28862370 MPRNSLKNQGUKGG-HXUWFJFHSA-N 400.412 5.047 0 1 HKAF C[C@H]1[C@H]2Cc3ccc(I)cc3[C@]1(C)CCN2Cc1ccccc1 36126832 KAICFMDUDWIURZ-IWMITWMQSA-N 417.334 5.016 0 1 HKAF O=C(O)[C@]1(Cc2cc3ccc(F)cc3[nH]2)CSC(c2ccc3ccccc3c2)=N1 38253319 OAXGKKFOURUVRJ-QHCPKHFHSA-N 404.466 5.020 0 1 HKAF CC(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)Nc1ccccc1Cl 40391092 RZDSPOZJSAJDEY-UHFFFAOYSA-N 401.796 5.463 0 1 HKAF CC(C)CC[C@@H](O)[C@](C)(O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 43119491 MPYAIDWTDSTPEU-HCGMBEGZSA-N 420.678 5.554 0 1 HKAF COc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)c1 45374366 UPRGIBHRXBMAPV-UHFFFAOYSA-N 410.425 5.754 0 1 HKAF COc1ccc(-c2nc3ccc(-c4nc5ccc(-c6ccccc6)cc5[nH]4)cc3[nH]2)cc1 66075346 XIOASTOAOIDCAY-UHFFFAOYSA-N 416.484 6.449 0 1 HKAF COc1ccc2cc([C@H](O)CCN3CC=C(Cc4ccccc4)CC3)ccc2c1Cl 84756891 JYIMWQCCVNSNJW-XMMPIXPASA-N 421.968 5.800 0 1 HKAF O=C(Nc1cccc(Nc2ccc3c(c2)CCc2ccccc2C3=O)c1)c1ccoc1 95579053 OVRCQWCVSWDVMT-UHFFFAOYSA-N 408.457 5.605 0 1 HKAF O=c1c(/C=C/[C@@H](O)c2ccc(O)cc2)coc2cccc(OCC3CCCCC3)c12 95597224 UJGPSBOMIURMMK-QGFLDLQWSA-N 406.478 5.205 0 1 HKAF Cc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4c[nH]c5ccccc45)C3=C(O)C2)cc1 104050277 LEVLZFUCNVARIN-VKGTZQKMSA-N 419.528 7.105 0 1 HKAF C[C@H]1CCC([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@@]32C)=NC1 118930458 IWJUNMWYVUJLJD-JSALYLKVSA-N 414.678 5.450 0 1 HKAF CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1 146023816 JYQJTKCMVBBODA-UHFFFAOYSA-N 418.493 5.336 0 1 HKAF C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@H]5CC[C@]4(C)[C@H]3CC[C@@]21C 238734708 GCKDQWCHVGKSQF-UZEYLPPOSA-N 412.702 8.067 0 1 HKAF CN1C/C(=C\c2ccccc2)C2=NN(CCCc3ccccc3)[C@H](c3ccccc3)[C@@H]2C1 299848908 OZJKSULROWWVTD-VTSIKSPOSA-N 421.588 5.677 0 1 HKAF CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1cccs1)c1ccc(-c2ccccc2)cc1 299868652 SAIJGZSXTDNSOD-LWZKNFMGSA-N 418.606 5.925 0 1 HKAF Cc1c(C)c2ccc(OCCCCCN(C)Cc3cccc(Cl)c3)cc2oc1=O 473124070 MWVLDDXNHREISA-UHFFFAOYSA-N 413.945 5.744 0 1 HKAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(Cl)nc4[nH]3)c(=O)oc2c1C 586919033 XFKDCGYWKQYLQX-UHFFFAOYSA-N 423.900 5.270 0 1 HKAF CC(C)COc1cc2nc([C@H](C)SCc3ccccc3)[nH]c2cc1Br 586963445 NXYWFDBJWHRYKK-AWEZNQCLSA-N 419.388 6.355 0 1 HKAF Cc1ccc2c(ccc3nc(CSc4nncn4-c4ccc(C)c(Cl)c4)[nH]c32)n1 586967509 ABQXBAOMCPRNTL-UHFFFAOYSA-N 420.929 5.254 0 1 HKAF Cc1nn(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)c(C)c1Br 586978851 KXVYLCSZUDZJDE-UHFFFAOYSA-N 413.344 5.338 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(-c5ccccc5)c(F)c4)nc13)-c1ccccc1C2=O 586994692 CEPYVUYSKZRZND-UHFFFAOYSA-N 415.467 7.228 0 1 HKAF COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1NC(C)=O 586995589 IRVATNIFJBCIQH-UHFFFAOYSA-N 408.457 5.389 0 1 HKAF CC(C)(C)c1cccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 587000063 FDXUNAIHTZAMKW-BQYQJAHWSA-N 413.315 5.565 0 1 HKAF Clc1nccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 587018267 XNFMGWRRAHXLCD-UHFFFAOYSA-N 411.737 5.150 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(Cl)c(F)cc2[nH]1 587032760 BNXBANAFRGTKIR-CQSZACIVSA-N 401.894 5.841 0 1 HKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cccc(I)c2[nH]1 587068482 BLODAWVPJTZRIB-SNVBAGLBSA-N 424.669 5.197 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 587072216 OWANCUNTFFWOBS-PVLSTCQYSA-N 413.308 5.818 0 1 HKAF CC(C)Oc1cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2cc1Br 587127492 ZFBVESAIPIBDFY-UHFFFAOYSA-N 421.257 5.053 0 1 HKAF Cc1cc(Br)c(-c2nc3ccc(F)c(Br)c3[nH]2)cc1F 587137761 KCMPBJISEISCJV-UHFFFAOYSA-N 402.036 5.342 0 1 HKAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(Cl)c(F)cc3[nH]2)c1 587147142 IFISCSOTIHUOBK-UHFFFAOYSA-N 414.795 5.535 0 1 HKAF CC(C)COc1cc2nc([C@@H](C)Oc3ccc(F)cc3)[nH]c2cc1Br 587169028 QSXOCZHNFHBZHZ-GFCCVEGCSA-N 407.283 5.639 0 1 HKAF Fc1ccc(I)cc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 587183263 WJHRBGVLZJXREK-UHFFFAOYSA-N 407.013 5.280 0 1 HKAF C[C@]12CC(=O)[C@@H]3[C@H](CCC4=Cc5nc6cccc7c6c(c5C[C@]43C)CC7)[C@H]1CCC2=O 587214468 ARXVSBVUHQCDLW-QQKOVKNASA-N 411.545 5.264 0 1 HKAF FC(F)(F)Oc1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cc1Cl 587230382 UEYPMNJXRXPMMM-UHFFFAOYSA-N 418.806 5.789 0 1 HKAF C[C@]1(C(=O)c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330103 NDAIYAASBIYCKN-REWPJTCUSA-N 410.828 5.185 0 1 HKAF C[C@@]1(c2ccc3c4c(cccc24)CC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352416 JDAIVCNJOXLFDL-XCZPVHLTSA-N 424.471 6.057 0 1 HKAF Cc1cc2c(cc1C)[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587360297 USHHIAFCWWQTCT-ZCYQVOJMSA-N 404.437 5.185 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4ccccc4C(F)(F)F)c1)[C@@H](C2)C3=O 587421102 NORFGTFRIHLJBX-FDDCHVKYSA-N 410.391 5.870 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc(Cl)cc1C)CC2=O 587459849 DUTURSUTXDFNCO-JOCHJYFZSA-N 401.890 5.059 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC)c(-c3ccccc3)c1)CC2=O 587480280 OLBJJVFEHFSHMJ-RUZDIDTESA-N 402.490 6.117 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](OC)c1ccccc1)CC2=O 587486348 ZJAJVVLVYMKNBL-IZZNHLLZSA-N 402.490 5.593 0 1 HKAF CC(C)(C[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O 587498613 FEMCONIFWCWEGS-XMMPIXPASA-N 412.913 5.580 0 1 HKAF O=C1C[C@](c2ccccc2)(c2ccc(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 587501711 CPRDOFBFLPBPHZ-VWLOTQADSA-N 423.339 6.781 0 1 HKAF O=C1C[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)o2)Oc2c1ccc1c2CCCC1 587507325 LPPUKRMVUYNJTJ-JOCHJYFZSA-N 412.407 6.551 0 1 HKAF Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525668 OYLHHMPVCBVLLP-VWLOTQADSA-N 407.513 6.729 0 1 HKAF O=C1C[C@@](CSc2nc3ccccc3[nH]2)(C2CC2)Oc2c1ccc1c2CCCC1 587533434 TXNLJJYEQQKQJC-XMMPIXPASA-N 404.535 5.348 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1c(Cl)cccc1Cl 587547022 RYQPICMQUKHIOD-ICSRJNTNSA-N 415.272 5.662 0 1 HKAF Cc1ccc(OC(F)F)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587555393 KTUUKNDPTOGEQN-XXBNENTESA-N 412.388 5.179 0 1 HKAF Cc1ccc([C@H]2C[C@@H]2C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587655932 IIDWJWRCZXUCLR-MJGOQNOKSA-N 416.427 5.094 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(F)(F)F)c2Cl)N1 587712853 RBCNVAUVQQOKHD-PWJLMRLQSA-N 422.647 5.884 0 1 HKAF COc1ccc2c(c1)[C@H](C)[C@@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587808560 NVQQSWDRRZNGLF-OYMPBJRDSA-N 404.323 5.076 0 1 HKAF COc1cc2c(cc1[C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)CCCC2 587812525 ZTZJLNXYUJCHLI-XUSGNXJCSA-N 404.323 5.099 0 1 HKAF CC(C)c1cccc2c1OCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587833943 JBVPWMLMTVDPRV-ASSNKEHSSA-N 404.323 5.272 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccsc3)cc2)N1 587852410 GLJULAFRSKWBPE-FKIZINRSSA-N 402.332 5.940 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(Cl)c(Cl)c1 587871363 UWLWFAWLLDYCBQ-UHFFFAOYSA-N 409.244 5.114 0 1 HKAF CCOc1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(-c2c(C)noc2C)c1 653852007 ZNNLKTSPOXLOST-UHFFFAOYSA-N 413.445 5.092 0 1 HKAF Fc1cc(-c2cccs2)ccc1[C@H]1NC2(CC2)Cc2ccc(Br)cc21 961615565 PQAOSGRGPFMAFZ-HXUWFJFHSA-N 414.343 6.084 0 1 HKAF CCC[C@@]1(c2ccc(Cl)c(O)c2)c2cccc(F)c2CCN1[C@H]1CCSC1 962698927 DCNOCDODUKYKKJ-KSFYIVLOSA-N 405.966 5.592 0 1 HKAF CCC(C)(C)[C@]1(c2ccc(F)cc2Cl)NCCc2ccc(C(=O)N(C)C)cc21 962928115 GVWSTKPXBSPQGY-HSZRJFAPSA-N 402.941 5.006 0 1 HKAF C[C@]1(c2c(Cl)cc(C(F)(F)F)cc2Cl)c2c(F)cccc2C[C@@H]2CCCN21 963098523 IFXJWMIVRVAOLX-ORAYPTAESA-N 418.261 6.435 0 1 HKAF CC1(C)C[C@]2(c3ccc(F)cc3C[C@@H]3CCCN32)c2cc(Br)ccc21 963099584 JRBVOYFGGPXRHJ-JTSKRJEESA-N 400.335 5.534 0 1 HKAF Fc1cccc2c1[C@@H](c1cnn(Cc3ccc(C(F)(F)F)cc3)c1)N1CCC[C@H]1C2 963114584 VTKZWNWZYQQLSJ-SIKLNZKXSA-N 415.434 5.199 0 1 HKAF Cc1ccc(C)c2c1CCC[C@@]21N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963176594 IVPBVISOOSKYJM-IIBYNOLFSA-N 423.862 5.154 0 1 HKAF COC[C@]1(c2ccc(C)cc2)CC(c2ccccc2)=NN1C(=O)Nc1ccc(F)cc1 1772650102 VEONUVYKBNAEAW-VWLOTQADSA-N 417.484 5.318 0 1 HKAF CCC(CC)Nc1ccc(Cl)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12 1772652464 REPZWOXTWUORLO-UHFFFAOYSA-N 421.372 6.541 0 1 HKAF CCn1cc(-c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)cn1 1857577142 HBJLMDYUBCSMLU-UHFFFAOYSA-N 422.532 5.224 0 1 HKAF CCCc1nc2c(Cl)cccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 1857598873 ZYPNFUWYPHOJIU-UHFFFAOYSA-N 404.897 6.056 0 1 HKAF Nc1ccc(-c2ccc3c(NC(=O)CC45CC6CC(CC(C6)C4)C5)cccc3n2)cc1 1857749722 DATNANISPPEHNZ-UHFFFAOYSA-N 411.549 6.029 0 1 HKAF O=C(O)CCC=C1CC[C@H](c2ccc(O)cc2)[C@@H](CCCCCC[C@H]2C=CCC2)C1 2356367270 ZQMKWTFIKQVFIO-PMWMKWCKSA-N 410.598 7.374 0 1 HKAF CCCCCCC(=O)OCC=C(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 2356396766 VWHXJDUTSLNOGD-DQEYMECFSA-N 408.711 8.885 0 1 HKAF CC(C)[C@H](C)C=C[C@H](CO)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356456860 SMZGUWPPJLUJON-XNMKRGEFSA-N 416.690 6.463 0 1 HKAF CC(C)=C[C@H](O)CC(C)=CCc1c(O)cc2c(c1O)O[C@H](c1ccccc1)CC2=O 2356482511 NZQIAPMLLOBATL-MBSDFSHPSA-N 408.494 5.010 0 1 HKAF CC1=CC[C@@H](C(C)=C[C@H]2C=C(C)CC[C@@]2(C)C=CC=C(C)[C@H]2CC=C(C)CC2)CC1 2356507733 GFNIWJNBRRFVIS-MIPYOGIXSA-N 404.682 9.291 0 1 HKAF CC(C)=CCC(=O)[C@H](C)CCCC(C)=CCC[C@]1(C)CCc2cc(O)cc(C)c2O1 2356621838 RYPIDQSBZKCZIV-JIPXPUAJSA-N 412.614 7.243 0 1 HKAF O=C(CSc1ccccc1)N(c1ccc(Br)cc1)c1nccs1 6083591 XFFNEQAANDROFF-UHFFFAOYSA-N 405.342 5.363 0 3 HKAF O=C(COc1cc(Cl)c(Cl)cc1C(=O)c1ccccc1)Nc1ccccc1 6578847 BKFKCWWZKWVGKL-UHFFFAOYSA-N 400.261 5.242 0 1 HKAF COc1ccc(-c2cc(-c3nc(C4CC4)cs3)c(=O)n(C)c2-c2ccncc2)cc1 13473217 CVNPFPRAINQAHI-UHFFFAOYSA-N 415.518 5.124 0 1 HKAF Cc1ccc([C@@H](C)Nc2cccn([C@H](CN3CCCC3)c3ccccc3)c2=O)cc1 13488459 DLOLFQZEKAMAKM-PXDATVDWSA-N 401.554 5.015 0 1 HKAF COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(-c3nccs3)c2c1 13536057 PHOOWFUDCZCEGK-UHFFFAOYSA-N 403.294 5.055 0 1 HKAF O=C(CCc1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12)Nc1ccncc1 13556602 IKXDWTSDHGPDGT-UHFFFAOYSA-N 407.876 5.448 0 1 HKAF CC1=CCCC(C)(C)[C@H]1Cc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O 14825106 ZDMLVDJENNJFML-KRWDZBQOSA-N 422.477 5.207 0 1 HKAF biogenic,in-vitro CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCCN(C)O 25997429 XDCOOAPVFVOYRQ-BANQPHDMSA-N 415.706 8.960 0 1 HKAF COc1ccc(-c2cc(Oc3c(F)cccc3F)nnc2-c2ccc(OC)cc2)cc1 26402785 LKORWDQWRQFXMA-UHFFFAOYSA-N 420.415 5.898 0 1 HKAF CN(C)CCOc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2cccc(O)c2)cc1 26660984 LZVVYZMWHNBABR-BJKOFHAPSA-N 423.534 5.005 0 1 HKAF C1=C(c2ccc3ccccc3c2)C[C@H]2CC[C@@H]1N2CCOc1cccc2ncccc12 36271410 CNRWYKRQNMMFHH-LOSJGSFVSA-N 406.529 6.087 0 1 HKAF CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1c4[nH]c2ccccc12 40895848 OSLWLBNQGBGFOG-QOZQIPARSA-N 419.609 6.647 0 1 HKAF C=C=CCCCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O 45337173 KLWRCYQROACQNJ-UHFFFAOYSA-N 413.880 6.152 0 1 HKAF COc1ccc(-c2cc(NC(=O)C3CCCCC3)nc(-c3ccc(OC)cc3)n2)cc1 66099726 YRHPVYARYREQGN-UHFFFAOYSA-N 417.509 5.347 0 1 HKAF Fc1ccc(F)c(CNc2cc(Oc3ccc4oc5ccccc5c4c3)ncn2)c1 82067513 PNNYWBNZEFCFET-UHFFFAOYSA-N 403.388 6.059 0 1 HKAF O=C(c1ccccc1)c1ccc(Oc2cc(NCc3cccc(Cl)c3)ncn2)cc1 82067847 SMCSXZHMFMTFGO-UHFFFAOYSA-N 415.880 5.765 0 1 HKAF Cc1oc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccco2)nc1-c1ccccc1 82165394 LHBWQFGUNZPENH-JXFKEZNVSA-N 414.509 6.358 0 1 HKAF CC[C@H](C)Cn1c(CC(C)C)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 82178955 VREANDHAIUCHIJ-HNNXBMFYSA-N 419.495 5.702 0 1 HKAF CC(C)CCOc1ccc2sc3c(C(=O)O)cc(-c4ccccc4)c(=O)n3c2c1 84538114 NXLUNFNCOTUNGS-UHFFFAOYSA-N 407.491 5.304 0 1 HKAF O[C@H](CSc1ccc2ccccc2c1)CN(Cc1ccccc1)Cc1ccccc1 84688768 BYNJGRPUQUUNBS-SANMLTNESA-N 413.586 5.995 0 1 HKAF O=C(Nc1cc(Br)ccc1C(=O)O)c1cccc(Oc2ccccc2)c1 96938312 YLKQXRRQJDQRLK-UHFFFAOYSA-N 412.239 5.192 0 1 HKAF CCCN(CCC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2C[C@@H]3CC[C@H](C2)N3)cc1 100760004 MMUPBFDKDKPJNK-BSRHZMJTSA-N 405.586 5.370 0 1 HKAF CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2ccccc2Cl)C2=C(O)CCCC2=N1 104698290 XBSXABBXNKFVKM-OAQYLSRUSA-N 407.901 5.490 0 1 HKAF CO[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C)c2cc3c(c(C)c21)C[C@@H](O)CC3 136077245 QATMLMHKOKQDMW-YREZGCQNSA-N 424.669 6.920 0 1 HKAF c1ccc(C2=NN=C(c3ccccn3)[C@H]3[C@@H]2[C@@H]2C[C@@H]3[C@@H]3[C@@H]4C[C@@H](c5ccccc54)[C@H]32)nc1 169294238 QAEQEAQDVFBXJR-WTGUAWGXSA-N 416.528 5.083 0 1 HKAF Cc1ccc2c(c1)N[C@H](c1ccccc1C(F)(F)F)[C@H]1C(=O)CC(C)(C)CC1=N2 169722108 ZUCHWKPGLUKNAN-NHCUHLMSSA-N 400.444 6.258 0 1 HKAF O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2ccc(F)cc2)c1 216053090 JBNRDPPJWNKOFR-UHFFFAOYSA-N 406.888 5.524 0 1 HKAF CN[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)N(C)C)[C@@H](O)C[C@]4(C)[C@H]3CC[C@H]2C1(C)C 257469525 KYQBSELITRKZKQ-CWUVOSKYSA-N 418.710 5.180 0 1 HKAF Cc1c(-c2ccc(OC(F)F)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586995167 JINYNCOIKICABO-UHFFFAOYSA-N 401.412 6.331 0 1 HKAF Clc1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2c(Cl)n1 587002112 TWXJIFRCIQNZIW-UHFFFAOYSA-N 423.097 5.759 0 1 HKAF Brc1c[nH]c2nccc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)c12 587004345 TXGXNKUEWHGRQW-UHFFFAOYSA-N 419.282 5.448 0 1 HKAF CC(C)(C)c1ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2n1 587015941 ZLFDAPVCTHEJJU-UHFFFAOYSA-N 403.338 6.353 0 1 HKAF Fc1cc(Br)c2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2c1 587065114 TZTRLPNCQUEPSN-UHFFFAOYSA-N 421.653 5.957 0 1 HKAF Cc1c(Br)cc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1C 587073430 IOKWNADRDOJIRB-GOSISDBHSA-N 418.766 5.933 0 1 HKAF O=C1c2ccccc2-c2c(Cc3ccc(Br)cc3)cnc3cccc1c23 587101600 IMANDWOVEJAZSZ-UHFFFAOYSA-N 400.275 5.800 0 1 HKAF COc1cc(OC)c2[nH]c([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc2c1 587159838 VOVFKTCIDKSEAR-OAQYLSRUSA-N 412.848 5.541 0 1 HKAF Fc1ccc(/C=C(\c2nc3ccc(OC(F)(F)F)cc3[nH]2)c2cccs2)cc1 587163497 KDYNERHVDYAWSE-GDNBJRDFSA-N 404.388 6.251 0 1 HKAF CCCCOc1cc2nc(Cc3c(F)cncc3Cl)[nH]c2cc1Br 587175829 IIAZYAXXENHARB-UHFFFAOYSA-N 412.690 5.283 0 1 HKAF C[C@]1(c2cccc(C3CC3)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331447 JNAYGTZVLOURRL-WIOPSUGQSA-N 406.428 5.822 0 1 HKAF CCOc1ccc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587347426 DKCZGXMATCLNQV-ILBGXUMGSA-N 406.453 5.290 0 1 HKAF C[C@]1(c2ccc3cccc4c3c2CC4)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349231 BISWLLKUULQRGT-XTEPFMGCSA-N 424.471 6.057 0 1 HKAF COc1ccc2c(c1)C(C)(C)C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349786 JGNHVZSHALBADK-JYFHCDHNSA-N 418.464 5.476 0 1 HKAF CCCC[C@]1(CCCCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354980 SEALCWZVFZUTDG-ISKFKSNPSA-N 414.473 5.464 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)/C(=C\c2ccco2)CCC3)c1 587365652 IWWNARCNJHFTFV-VLGSPTGOSA-N 407.469 7.127 0 1 HKAF Cc1cc2c(cc1C)[C@@]1(CCS2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587376955 ZFUAKTRCSKOVRJ-UKILVPOCSA-N 420.505 5.898 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ccc1OCc1ccccc1F)O2 587386225 UROKSOZGAWGWPR-JOCHJYFZSA-N 411.860 5.655 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1Oc1cc(C(C)C)ccc1C)O2 587403445 MFFIAQJKICBEST-VWLOTQADSA-N 401.506 6.508 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cc(Cl)cc(Cl)c1)[C@@H](C2)C3=O 587419794 LSNZZDGIBIZXNA-HRAATJIYSA-N 400.261 5.281 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1cccc(Cl)c1)[C@@H](C2)C3=O 587421133 TXPFWLBRTOJRLO-CVDCTZTESA-N 411.284 5.693 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccccc3)c(Cl)n1)CC2=O 587460142 GTCMGGJKYNAKGW-QFIPXVFZSA-N 423.896 5.679 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)CC2=O 587462221 OGIPIABCAGDNAC-DEOSSOPVSA-N 422.908 6.284 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc(C)cc1Cl)CC2=O 587462838 RFBAHZWLIKLXBV-QFIPXVFZSA-N 401.890 5.059 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C1)CC2=O 587482443 ZVCDYXOSIXPMFP-UUOWRZLLSA-N 417.546 5.104 0 1 HKAF Nc1cc(Cl)ccc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587499168 HTKTVJLFPHJRHC-RUZDIDTESA-N 403.909 5.710 0 1 HKAF C[C@]1(Cc2ccc(Cl)cc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587506946 ZEUZFJVWFBOKPB-NRFANRHFSA-N 419.746 5.948 0 1 HKAF O=C1C[C@@H](c2ccc(F)c(I)c2)Oc2c1ccc1c2CCCC1 587508674 WTKZBMPLMONUJR-SFHVURJKSA-N 422.237 5.016 0 1 HKAF O=C1C[C@H](c2ccccc2OC/C=C\c2ccccc2)Oc2c1ccc1c2CCCC1 587526210 SGEQOVCQIUNTHI-OIFRZNDVSA-N 410.513 6.364 0 1 HKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccccc1O[C@H]2c1ccccc1 587536043 QUIGCCDJZOOKSG-SVBPBHIXSA-N 410.469 5.286 0 1 HKAF COc1cc(C(=O)c2c(C(F)(F)F)[nH]c3cccc(F)c23)ccc1OC(F)F 587633801 MKAPSDWFAITTPY-UHFFFAOYSA-N 403.278 5.167 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2C[C@@H]2c2ccccc2Cl)N1 587700133 UUDMGIABVRKFQJ-HAYILDEMSA-N 408.742 5.795 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3c(F)cccc3F)o2)N1 587714487 ABQCUXQXYNTECA-CFMSYZGJSA-N 422.244 5.750 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(NCc3ccccc3)CC2)N1 587742123 JMQPPXBIBUPHTP-DBXLBAIQSA-N 417.366 5.050 0 1 HKAF Cc1cccc2c3c([nH]c12)[C@@]1(CCC3)N[C@H](C)Cc2cc(Br)c(F)cc21 587807692 XUCBQJYZUHAAIE-DMZKTXOQSA-N 413.334 5.492 0 1 HKAF CC(C)[C@@]1(c2ccc(C(C)(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587810567 DBYQJUZUEYNWGX-CMJOXMDJSA-N 418.394 6.320 0 1 HKAF Cc1ccccc1[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587816403 XSZBUVLORUCSEN-HJPURHCSSA-N 410.330 5.723 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccc(C(C)(C)C)cc2)N1 587821011 SFMFBPPJQJEVFD-LHSJRXKWSA-N 404.367 6.094 0 1 HKAF CC(C)[C@H]1CCc2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587823055 OBDVAYULVDGNKJ-SRVWHDFXSA-N 402.351 5.584 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(O)cc2)N1 587834433 RXHHSZDVSCBKDM-PEBXRYMYSA-N 412.302 5.120 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccsc2N)N1 587844421 NTZMUZQBOMITDM-YUNKPMOVSA-N 417.347 5.058 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cs2)N1 587845215 CYBJSRDCJZHIOB-JKYUHCHBSA-N 405.130 5.036 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3)s2)N1 587849589 UIBFMYGHDYCTDE-YUNKPMOVSA-N 402.332 5.940 0 1 HKAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587928858 CRTRZVBGNNMNMK-FZKQIMNGSA-N 414.349 6.054 0 1 HKAF Cc1ccccc1[C@@H](CC(=O)c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O 957602572 CVRVXTKOVUFZST-NFBKMPQASA-N 418.876 5.423 0 1 HKAF Cc1ccc([C@@]2(C)c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)c(F)c1 961773085 DBGBVIYOJVRSIE-RUZDIDTESA-N 410.533 5.549 0 1 HKAF COc1ccc2c(c1)c([C@@H]1NCCc3ccc(F)c(C)c31)cn2C(=O)OC(C)(C)C 962303118 URONSHOFCSQHCZ-QFIPXVFZSA-N 410.489 5.116 0 1 HKAF COc1cc2c(cc1OC)[C@@](c1ccsc1)(c1c(C)cccc1C)N(C)[C@@H](C)C2 962619517 FKGBUZCYCIBKBZ-BVZFJXPGSA-N 407.579 5.550 0 1 HKAF CCC(C)(C)[C@@]1(c2ccc(Cl)cc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962728053 BXKNXNOOKPJMDK-NQIIRXRSSA-N 409.879 5.666 0 1 HKAF CCn1cc([C@]2(C(F)(F)F)NCCc3c(OC)ccc(Cl)c32)c2ccccc21 963270573 PLSYQNUXRCOLPJ-FQEVSTJZSA-N 408.851 5.275 0 1 HKAF C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3Cl)cn2)[C@@H]2[C@H](CC1(F)F)C(=O)O[C@@H]2C 1772575393 WGXLZMPOJPJRDZ-JDDIOTBQSA-N 417.883 5.884 0 1 HKAF Cn1c(-c2ccc(CN3CCCC3)cc2)cc2onc(-c3ccccc3Cl)c2c1=O 1772643495 YYZFCUZDTAWEMK-UHFFFAOYSA-N 419.912 5.110 0 1 HKAF O=C(c1cc(Cl)cc(Cl)c1O)c1[nH]c(Cl)c(Br)c1Cl 1857598334 ILZQGVJLRYPHSN-UHFFFAOYSA-N 403.874 5.327 0 1 HKAF O=C(Nc1nc2cc(-c3ccc(C(F)(F)F)cc3)ccn2n1)c1cccc(Cl)c1 1857619462 KTPLOJFKYQKHLA-UHFFFAOYSA-N 416.790 5.321 0 1 HKAF Clc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCOCC2)c1 1857772318 ZYGQURAXSRFNHP-UHFFFAOYSA-N 403.913 5.154 0 1 HKAF CC(=O)O[C@@H]1CC[C@H](C)[C@@]23C[C@@H](C[C@@H](OCC=Cc4ccccc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c2ccccc2)C=C1C 2356663688 QXNHMPGONJBGRY-GVAUOCQISA-N 410.554 5.892 0 1 HKAF COc1ccc(Nc2cc3[nH]c(-c4cccc(C(F)(F)F)c4)cc3cn2)cc1OC 206018442 IGAUHGPZVVTQQY-UHFFFAOYSA-N 413.399 6.010 0 3 HKAF CC(C)=CCc1c(O)c(CC=C(C)C)c2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O 3871182 HKKPHUAEOHCSKC-UHFFFAOYSA-N 422.477 5.300 0 1 HKAF biogenic,in-vitro Cc1nn(-c2ccc(C(F)(F)F)cc2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccco2)C1 8624028 JLMMPQXLRFSAOW-SJLPKXTDSA-N 401.432 5.303 0 1 HKAF biogenic C[C@H]1CC[C@@]2(NC1)O[C@@H]1C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]1[C@@H]2C 8681661 KWVISVAMQJWJSZ-RUVNWCSFSA-N 413.646 5.287 0 1 HKAF CCCN(c1ccccc1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12 13583188 POCSEWJXFBBHHG-UHFFFAOYSA-N 414.557 5.331 0 1 HKAF Clc1ccc([C@H](OC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c2ccccc2)cc1 13861977 BRCNZPLXMLLSIC-RIFKGGETSA-N 417.980 6.642 0 1 HKAF CCOC(=O)c1ccc(NCCCCCCCCCCCCCCC(C)C)cc1 29218095 OQAXGOHDADWUOA-UHFFFAOYSA-N 403.651 8.003 0 1 HKAF C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820988 DEZLYZBLMUAYLV-DIENXTIDSA-N 420.678 5.554 0 1 HKAF Clc1ccccc1-c1ccc(Oc2cncc3sc(-c4nnn[nH]4)cc23)cc1 40423992 OBSJEGDIGXCUGQ-UHFFFAOYSA-N 405.870 5.589 0 1 HKAF COc1c(-c2c(C)cc(OC)c3c(OC)cccc23)ccc2c1[C@@H](C)N(C=O)[C@H](C)C2 40877419 KTGGQZQECBZHDA-IAGOWNOFSA-N 419.521 5.305 0 1 HKAF CCCC[C@@H](Sc1ccc(OCCCOc2ccccc2OC)cc1)C(=O)O 43078137 ITSGBPFMQAYNSO-OAQYLSRUSA-N 404.528 5.279 0 1 HKAF Cc1ccc(Nc2ccnc3cc(-c4nccs4)ccc23)cc1[C@H](O)c1ccccc1 45192938 ZQDGWJISJZYFJI-RUZDIDTESA-N 423.541 6.492 0 1 HKAF CCCCC[C@@H](C)[C@@H](C)c1cc(OC(N)=O)c2c(c1)OC(C)(C)C=C2c1ccncc1 45322406 QNQLTBALJDNJAP-QZTJIDSGSA-N 422.569 6.462 0 1 HKAF Fc1ccc2[nH]c(-c3cccc(-c4cccc(CNCCc5ccncc5)c4)c3)nc2c1 45322416 KXGQKUYAONYXEE-UHFFFAOYSA-N 422.507 5.763 0 1 HKAF CC(C)[C@@H]1CC(=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2O1 49053911 YAKMQYYIRBCXQX-NRFANRHFSA-N 412.316 6.712 0 1 HKAF O=C1CCN(Cc2ccccc2F)C[C@H]1C(c1ccc(F)cc1)c1ccc(F)cc1 72106642 ZDFSASRKTAOVIG-JOCHJYFZSA-N 409.451 5.327 0 1 HKAF CCCOCCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccc(F)cc2)n1 82164038 BZZAIOAXVGVJSZ-UHFFFAOYSA-N 400.523 5.252 0 1 HKAF CCc1cnc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccccc2C)s1 82177563 ZQHFOCLCIFXEGH-UHFFFAOYSA-N 418.541 5.932 0 1 HKAF CCCCCNC(=O)[C@@H](Nc1nc(-c2cccc3ccccc23)cs1)[C@@H](C)CC 82195234 ZWUWPQXLNJTPEC-JTSKRJEESA-N 409.599 6.096 0 1 HKAF COc1ccc(OC)c(CN(C(=O)CF)c2ccccc2Sc2ccccc2)c1 84688244 PFTXURYSUVCGJO-UHFFFAOYSA-N 411.498 5.358 0 1 HKAF Clc1ccc(C2=NN(c3ccccc3)[C@H](c3cccc4ccccc34)C2)cc1Cl 95582971 LGGXKYNJQDCCPN-VWLOTQADSA-N 417.339 7.502 0 1 HKAF C[C@H](c1cccc2ccccc12)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 96930053 YFJWWGICLHMPTC-CQSZACIVSA-N 411.389 7.070 0 1 HKAF O=C(CSc1nnc(-c2ccc(Cl)cc2)s1)c1cccc(C(F)(F)F)c1 102608315 XVFHZDNARPKIHA-UHFFFAOYSA-N 414.861 5.852 0 1 HKAF Cc1cc2c(c(=O)n1-c1ccccc1)[C@@H]1O[C@](c3ccsc3)(Cc3ccccc31)O2 102851374 GVHLKMUGQOJKTH-NOZRDPDXSA-N 413.498 5.115 0 1 HKAF COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(SC)cc4)sc3n2)cc1 103248483 PIKUQGIIOYVORK-UHFFFAOYSA-N 421.547 5.528 0 1 HKAF Cc1nc2cc(Cl)c(-c3cnc(NC(=O)c4ccccc4Cl)s3)cc2o1 114457548 IHGGCZBQXGPQNY-UHFFFAOYSA-N 404.278 5.819 0 1 HKAF Cc1cc(C)cc(Nc2nccc(-n3cc(C)c(CN4CCC(F)(F)CC4)c3)n2)c1 115867805 RCPHNUYCPFHUHR-UHFFFAOYSA-N 411.500 5.167 0 1 HKAF C[C@H]([C@H](O)CCC(C)(C)F)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118932675 HAAJKVUMSLGIDT-JQGJUMQXSA-N 420.653 6.452 0 1 HKAF COc1cccc2c1-c1ccc3c(c1[C@H]([C@@H]1/C=C/CCCCC1)O2)C(C)=CC(C)(C)N3 169311171 NYZPSKBMSBIASN-SLUFIHBESA-N 415.577 7.540 0 1 HKAF C[C@@H](CCC=C1CC1)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]45C[C@]35CC[C@]12C 169362091 JPBYBCDJWOLHTR-XAWUKJRUSA-N 424.713 7.923 0 1 HKAF Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(-c3ccc(Cl)cc3)no2)n1 203007878 XRTCXIOPZXLIQH-UHFFFAOYSA-N 421.892 5.050 0 1 HKAF Cc1ccc(F)c(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c1 204537795 ROFDHFZEEIUMCW-UHFFFAOYSA-N 406.413 5.090 0 1 HKAF Cc1nc(N[C@@H](C)c2ccnc(-c3cnn(C)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 205831312 UTDJVXWRQWUOAL-INIZCTEOSA-N 424.508 5.475 0 1 HKAF C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 238746960 AMBIHAYAXSFGSZ-WGMIZEQOSA-N 412.702 7.945 0 1 HKAF CC(C)=CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 261076023 AYQGEWALVNGKIC-AQYVVDRMSA-N 408.586 5.644 0 1 HKAF O=C(CSc1ccc(C(=O)Nc2ccc(F)cc2)cn1)c1cccc(Cl)c1 261132417 LLDNSMQHQUTHNE-UHFFFAOYSA-N 400.862 5.101 0 1 HKAF c1ccc(CN2[C@H](c3ccccc3)C3=C(NO[C@@H]3c3ccco3)[C@H]3CCCC[C@H]32)cc1 299813999 DGPSOURKQBTBED-BVZBTYANSA-N 412.533 5.926 0 1 HKAF Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3cccc(C)c32)cc1 299861594 LQCRQEJXMNDRFQ-UHFFFAOYSA-N 416.546 5.698 0 1 HKAF Cc1cccc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 299885121 UZBMCLMUUNXXMX-XSDIEEQYSA-N 420.601 5.052 0 1 HKAF CCc1oc2ccccc2c1-c1nc2c(Br)cnc(Br)c2[nH]1 586904769 ZMZMSWMOQIXVDC-UHFFFAOYSA-N 421.092 5.459 0 1 HKAF CSc1ccc2[nH]c(-c3ccc(S(=O)(=O)Nc4cccc(C)c4C)cc3)nc2c1 586949275 QQLDOPLWDKKLSJ-UHFFFAOYSA-N 423.563 5.369 0 1 HKAF Cc1ccc2c3c(cc(Cc4ccc(C(F)(F)F)cc4)nc13)-c1ccccc1C2=O 586991893 BKFPLCZGOAPDIO-UHFFFAOYSA-N 403.403 6.364 0 1 HKAF Cc1cc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2cc1C 587018832 PXQFETCKTCXMDA-UHFFFAOYSA-N 416.377 6.936 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)cc(F)c3[nH]2)C[C@H]2CCCC[C@H]21 587028730 ZPVAVQVZOUQKKH-XWIAVFTESA-N 417.937 5.492 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@H]4Cc5ccccc5S4)[nH]c3c2)cc1 587043839 WBAXTZIHWQZPCZ-OAQYLSRUSA-N 402.475 5.531 0 1 HKAF Clc1ccc(-c2cccc3ccccc23)cc1-c1nc2cnc3ccccc3c2[nH]1 587049455 ADQSFDNOQOTDBH-UHFFFAOYSA-N 405.888 7.252 0 1 HKAF Fc1cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c(F)c1F 587055457 HMMMNDRFYNNDOL-UHFFFAOYSA-N 413.182 6.126 0 1 HKAF Clc1ccccc1-c1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c2ccccc2n1 587061039 ZUKWAHUMQAYRNI-UHFFFAOYSA-N 423.867 5.074 0 1 HKAF Clc1ccccc1OCc1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1 587063215 ILZRPUDDZWSRHX-UHFFFAOYSA-N 404.684 6.164 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(-c4ccc(Cl)cc4OC)[nH]c3c2)cc1 587066593 OBCLEZVLNUGWLY-UHFFFAOYSA-N 408.841 5.471 0 1 HKAF CSc1ccc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 587070791 HXAPEMIQZMRMEZ-RSZMZCDYSA-N 403.378 6.958 0 1 HKAF COc1cc(OC)c2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc2c1 587071865 QZOYHWJIMCDQCB-UHFFFAOYSA-N 400.265 5.616 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(Cl)cc(Br)c2[nH]1 587076998 QNGKOGDRKHCVDC-UHFFFAOYSA-N 422.113 5.793 0 1 HKAF CCCc1c(-c2ccc3c(c2)OCO3)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587101472 GPBHTAOTKSOXHV-UHFFFAOYSA-N 407.469 6.103 0 1 HKAF CC(=O)c1cccc2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)nc12 587107222 PNTFAPSJXMIKQN-UHFFFAOYSA-N 400.437 5.864 0 1 HKAF COC(=O)c1cc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2c(F)c1Nc1ccccc1 587174649 QSRAKCWEMDJQIQ-GOSISDBHSA-N 421.403 5.048 0 1 HKAF Cc1ccc([C@@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587331775 BVUQGPFMOHGZJG-SPHZKDIRSA-N 417.480 5.169 0 1 HKAF C[C@@]1(c2ccc3c(c2)CCCN3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350149 RGZIPIBHSMCLEY-NOZRDPDXSA-N 403.453 5.164 0 1 HKAF CC[C@@]1(c2ccc(C(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352878 KDSRVKPILJLQPR-AHWVRZQESA-N 404.481 6.319 0 1 HKAF COc1cccc(-c2cc(-c3ccc(NC(C)=O)cc3O)nc3c2oc2ccccc23)c1 587362331 HJQXEYRTQCMIFX-UHFFFAOYSA-N 424.456 5.988 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C(F)(F)F)cn4)cc1)[C@@H](C2)C3=O 587421357 KFBHBVXNPQULMY-HTAPYJJXSA-N 411.379 5.265 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(Cl)c(Cl)c3)o1)CC2=O 587463522 YBODZFKMOQFCQZ-OAQYLSRUSA-N 417.288 6.618 0 1 HKAF O=C1C[C@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)Oc2c1ccc1c2CCCC1 587510724 ZTXDRVSFGYQRFI-JOCHJYFZSA-N 413.300 6.839 0 1 HKAF Cn1c(Oc2ccccc2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587515386 LWHVXEYQIHOXGZ-VWLOTQADSA-N 423.512 6.556 0 1 HKAF Cc1cc(OCc2ccccc2)cc(C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587526589 UOQNJYHVZCQRPX-AREMUKBSSA-N 412.529 6.468 0 1 HKAF O=C1C[C@@H](c2sc(Nc3ccccc3)nc2Cl)Oc2c1ccc1c2CCCC1 587536576 WSNFCZPGDWKDSR-SFHVURJKSA-N 410.926 6.125 0 1 HKAF CC(C)[C@]1(c2ccc(OCCF)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558983 YWZCRYKVLBBAMR-WIOPSUGQSA-N 422.452 5.254 0 1 HKAF CC(C)(C)OC(=O)C1(C)CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587591239 BOKBWSQMKPVAAU-PNEAOOGRSA-N 424.493 5.015 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(N2CCCCC2)c1 587597014 TZPCBRZEWNSUQF-DHLKQENFSA-N 401.462 5.085 0 1 HKAF O=C(Nc1ccc2c(c1)OCCO2)c1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 587631584 PTYSKXNBIQCKTD-UHFFFAOYSA-N 422.843 5.651 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2ccc(Cl)c(Cl)c2)N1 587691705 DBCFVPQHRCNVBC-BJOHPYRUSA-N 403.122 5.713 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(F)(F)F)(c2ccccc2)N1 587709286 KDXAQRRRRKTAJP-GTNSWQLSSA-N 402.229 5.318 0 1 HKAF Cc1nc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2cc1Br 587784893 VSTLFCGRSXNDCZ-FMIVXFBMSA-N 420.310 5.778 0 1 HKAF CCCCCOc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587795199 QXWLIWOPUUEQDA-SPLOXXLWSA-N 406.339 5.781 0 1 HKAF CC[C@H](C)Oc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587798242 YVVHQIWKWUNZIZ-OYMPBJRDSA-N 422.338 5.398 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3cccc(O)c3)c2)N1 587833707 OXCOXGMJHVIKRI-WHEQGISXSA-N 412.302 5.584 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1c(F)c(F)cc(F)c1F 587856478 WKXLEPQBZNHGHL-UHFFFAOYSA-N 405.178 5.801 0 1 HKAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c2)c1 587931501 JVKFMCYUVCSJFJ-UHFFFAOYSA-N 424.525 6.762 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cnnc(O)c2[nH]1 587961266 SDDHKVPPVMVDPQ-WWMAXSSBSA-N 420.601 6.913 0 1 HKAF Cc1nc2scc(C3CC3)n2c1[C@@H]1c2ccsc2CCN1Cc1cccn1C 962372611 HIEOMTJESYTYGZ-NRFANRHFSA-N 408.596 5.129 0 1 HKAF COc1cc(OC)cc([C@]2(c3ccccc3Cl)NCCc3ccc(F)c(C)c32)c1 962377493 RLZSWQYOZQBIRB-XMMPIXPASA-N 411.904 5.242 0 1 HKAF Clc1c[nH]c2nccc-2c1[C@H]1c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962633339 LOKWJZPIFMEJHY-YADARESESA-N 414.940 5.004 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CC(C)(C)C(=O)O)(c2ccc(F)c(C)c2)N1 962939924 CIICHCWVHKOADJ-GKVSMKOHSA-N 408.517 5.284 0 1 HKAF COc1cccc2cc3c(nc12)[C@](c1ccc(OC(F)(F)F)cc1)(C(C)C)NCC3 963046522 KBDKTGSKCQBYOQ-JOCHJYFZSA-N 416.443 5.187 0 1 HKAF Fc1cccc2c1[C@@]1(c3ccccc3-c3ccc(Br)cc31)N1CCC[C@@H]1C2 963109589 MFFLAGWBDUGGNY-OSPHWJPCSA-N 420.325 5.881 0 1 HKAF O=C(Nc1sc2c(c1C(=O)Nc1ccc(F)cc1)CCCCC2)c1ccccc1O 1857756073 DUYWKNPGCCTTMD-UHFFFAOYSA-N 424.497 5.366 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C 2356630463 SDNBTLXXEFTSQK-GXTGFVLVSA-N 418.706 6.685 0 1 HKAF COC(=O)[C@@]1(Sc2ccc(C)cc2)CC(=O)N(c2ccccc2)[C@@H]1c1ccccc1 95570322 QPERIOLCGITHJA-ILBGXUMGSA-N 417.530 5.177 0 3 HKAF COc1ccc(-c2noc(-c3ccc(C(C)C)cc3)c2C(=O)N[C@H](C)C(C)C)cc1 774311 PFAXDWLDBBJVLW-QGZVFWFLSA-N 406.526 5.915 0 1 HKAF CCCCc1c2c(nc3c1CCC/C3=C\c1ccccc1)C(=O)[C@@H](CN(C)C)CC2 5784759 FXNOBZXJWIVQAE-DHUDHEQZSA-N 402.582 5.608 0 1 HKAF COc1ccc(C(=O)N2c3ccc(F)cc3[C@@H](Nc3ccc(F)cc3)C[C@H]2C)cc1 13490215 MIEGTLCGWZYDRN-QRQCRPRQSA-N 408.448 5.566 0 1 HKAF CC(C)O[P@](=O)(c1ccccc1)N1CCCC(c2ccc(Cl)c(Cl)c2)=N1 13557145 QYMCXDGSTLOWQC-AREMUKBSSA-N 411.269 5.737 0 1 HKAF CCN(c1ccccc1)c1ccc(NC(=O)N(C)[C@H](C)[C@@H](O)c2ccccc2)cc1 13863348 TXRKUZFDAMAFGA-NTKDMRAZSA-N 403.526 5.430 0 1 HKAF C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@@H](O)c1ccc2ccccc2c1 14970199 UGESQOSTAUBIRP-PKXQUSJVSA-N 424.519 6.254 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4Cc5oc(C(=O)C(F)(F)F)cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 27417585 BHPRNKARHZGVNR-DOEPJIJBSA-N 410.476 5.343 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](F)C(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 35033176 IEXKZNIXNJGEEY-YJJKLKRJSA-N 420.653 6.596 0 1 HKAF Cc1ccccc1C1(N2CCC3(CC2)C(=O)NC[C@H]3c2ccc(F)cc2)CCCCC1 36222073 HQSPTAIHUHMQIB-DEOSSOPVSA-N 420.572 5.289 0 1 HKAF OC1(c2ccc(Cl)cc2)CCN(CCOC(c2ccccc2)c2ccccc2)CC1 45387604 SPRQMRFLMQMTIP-UHFFFAOYSA-N 421.968 5.430 0 1 HKAF O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccoc3)n(Cc3ccccn3)c2c1 45388413 IBFPFLCFTSIOOP-UHFFFAOYSA-N 400.478 6.091 0 1 HKAF O=C(NCc1ccccc1)c1cnc(Nc2cccc(C(F)(F)F)c2)c2ccccc12 66262900 PAJUEYGVFMNQNK-UHFFFAOYSA-N 421.422 5.927 0 1 HKAF FC(F)Oc1cccc(Nc2cc(Nc3ccccc3)nc(N3CCCCC3)n2)c1 73196444 TZQBYJYRDQCKAQ-UHFFFAOYSA-N 411.456 5.556 0 1 HKAF C[C@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 73222847 KFBHGWRZBOVPTI-GOSISDBHSA-N 411.505 5.171 0 1 HKAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2ccc(F)cc2)C1 82139583 IZVFZJYZIBWFPO-ZWKOTPCHSA-N 412.553 5.026 0 1 HKAF CCCCCn1c(-c2ccc(C)o2)nc2c(NCCc3ccccc3F)ncnc21 82180831 CPASKRVRLRYNLP-UHFFFAOYSA-N 407.493 5.379 0 1 HKAF C/C=C(\C)C(=O)O[C@@](C)(CC1CCCCC1)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 85594695 JDNYBHFWAQXRBT-DUONOKDGSA-N 410.510 5.335 0 1 HKAF biogenic,in-vitro COc1c2c(cc3c1CCC(C)(C)O3)OC[C@@H](c1ccc(O)c3c1OC(C)(C)C=C3)C2 85956005 POHNDGZXXXCXFF-HNNXBMFYSA-N 422.521 5.407 0 1 HKAF endogenous,in-man CC1(C)[C@H]2C[C@H]1CC[C@@H]2CNc1cc(Oc2ccc3oc4ccccc4c3c2)ncn1 104930438 PLDJJORFZFHCHH-LZJOCLMNSA-N 413.521 6.653 0 1 HKAF CN1CC2CCC1([C@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1)CC2 139690625 BNRDMDIOWTXPGH-YOMPXFNTSA-N 403.353 5.339 0 1 HKAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3[C@H](O[C@@H]3CCCCO3)C[C@]12C 141358486 AHLGQKIONPHOLG-COWUURMFSA-N 416.602 5.325 0 1 HKAF Cc1cc2c(cc1C)N=C(N1CCC(c3ccccc3)CC1)CC(c1ccccc1)=N2 169324547 GAIXASVERSODRO-UHFFFAOYSA-N 407.561 6.738 0 1 HKAF CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)[C@@H]2C(=O)CC(C)(C)CC2=N1 169724256 LVJNXLPLFAZAJC-PKTZIBPZSA-N 420.940 5.796 0 1 HKAF COc1cc(-c2cnc(C)n2C)ccc1Nc1cc2c(-c3cnn(C)c3)cccc2cn1 223680158 UWIDLGGKUDRQDW-UHFFFAOYSA-N 424.508 5.096 0 1 HKAF CC1(C)C(=O)[C@@H]([C@H](O)c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@@H]21)[C@@](C)(O)C3 238763919 RLGBUTVIBWFTRW-IIEYBPOLSA-N 408.582 5.085 0 1 HKAF CCCCC1CCC(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CC1 586893789 YRMYETVXGICTEW-UHFFFAOYSA-N 403.286 6.808 0 1 HKAF Brc1ccc(-c2ccc(/C=C\c3nc4cc5c(cc4[nH]3)OCCO5)o2)cc1 586998526 LWEHUSDEYIBBBA-VURMDHGXSA-N 423.266 5.527 0 1 HKAF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(/C=C/c3ccsc3)[nH]c2c1 587024824 DOXFWTSIBHPXEP-VMPITWQZSA-N 415.927 5.249 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)nccc4[nH]3)c21 587030500 FUEREIMOYNNZKM-NSHDSACASA-N 413.344 5.679 0 1 HKAF N[C@@H](N=O)c1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587068839 ALVJGYLIPLJOQD-PNTRTRKCSA-N 418.884 5.689 0 1 HKAF Nc1ccc(-c2ccc3nc(-c4cnc5ccc(C(F)(F)F)cc5c4)[nH]c3c2)cc1N 587113674 WPTJMSYWDWPEIL-UHFFFAOYSA-N 419.410 5.628 0 1 HKAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 587121566 FUPWILKSRDPGAY-UHFFFAOYSA-N 412.198 6.292 0 1 HKAF CCOC(=O)c1ccc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2c1 587138624 ONEPFKAXPPYNQQ-UHFFFAOYSA-N 422.387 5.050 0 1 HKAF COc1cccc(-c2cc(F)cc(-c3nc4cc(Br)cc(C)c4[nH]3)c2)c1 587160156 JLSKHINHXPVTAN-UHFFFAOYSA-N 411.274 6.116 0 1 HKAF C[C@@]1(c2cc3cccc(O)c3o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351067 HVNGIWVARHCSLY-QPPBQGQZSA-N 404.393 5.257 0 1 HKAF CCSc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587370883 YKUNJFIFGTXJGI-LADGPHEKSA-N 408.494 5.918 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3ccc(OC)cc3)o1)CC2=O 587477382 FYVVQJLHOGJFOE-HSZRJFAPSA-N 408.450 5.232 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3oc(CC)c(C(C)=O)c3c1)CC2=O 587482987 QALJKFDWOHIQBC-RUZDIDTESA-N 406.478 5.737 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC3=NCCCS3)cc1)CC2=O 587495434 OKTCINNKWITIKN-HSZRJFAPSA-N 410.539 5.130 0 1 HKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccc(Cl)cc1CCc1cccnc12 587500676 NAWFTQOMBLMCCU-SANMLTNESA-N 415.920 5.621 0 1 HKAF O=C1C[C@@](CSc2ccccc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587504907 OKWJBYGYRVONSZ-AREMUKBSSA-N 418.533 6.358 0 1 HKAF O=C1C[C@H](c2c(-c3ccc(F)cc3)nc3ccccn23)Oc2c1ccc1c2CCCC1 587505638 JHTKPFLNZGZBLY-JOCHJYFZSA-N 412.464 5.726 0 1 HKAF COc1cc(C2CCOCC2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587535876 OYDUKPHKJNGXAS-HSZRJFAPSA-N 422.521 5.183 0 1 HKAF C[C@]1([C@@H]2C[C@@H]2c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546064 HXMPTHDHDGTMRJ-TYQZJNGASA-N 406.865 5.570 0 1 HKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)c1OC(F)F 587554151 HQMNQRALZIHYFE-PGRDOPGGSA-N 412.388 5.313 0 1 HKAF COc1ccc([C@@]2(C(C)(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587600990 PQRDOIYWEDRULF-SQJMNOBHSA-N 404.462 5.304 0 1 HKAF CCc1ccc(CC(C)(C)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587603679 QURAVHPFEKRSIU-WIOPSUGQSA-N 402.490 5.554 0 1 HKAF O=C(c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1)C1CCCC1 587604556 WUWGRHGEBBJEOM-BKMJKUGQSA-N 414.457 5.468 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1ccc(O)cc1 587607922 IVJCEBBCIBRERN-SQHAQQRYSA-N 424.452 5.198 0 1 HKAF CSc1ccc([C@@]2(C(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587609875 ALQDZNPRVBRSDZ-ZJSXRUAMSA-N 406.503 5.627 0 1 HKAF C[C@H](C(=O)O)c1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622023 UQEMEOUSBSLCFI-QMMMGPOBSA-N 418.678 5.315 0 1 HKAF CCOC(=O)Cc1c(-c2ccccc2Br)[nH]c2cc(Cl)c(F)cc12 587628342 LFDNRTPGGIUACN-UHFFFAOYSA-N 410.670 5.496 0 1 HKAF CCOC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccc(Br)cc1 587628399 OBPZFBLCAVTPBJ-UHFFFAOYSA-N 424.653 5.131 0 1 HKAF CCOC(=O)c1c(-c2ccc(Br)cc2F)[nH]c2ccc(F)c(Cl)c12 587629482 RSRVSSIHWUWWHN-UHFFFAOYSA-N 414.633 5.706 0 1 HKAF Cc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587650418 UYRVEVAAZOIGMM-UHFFFAOYSA-N 421.362 5.584 0 1 HKAF O=C(c1cc(Cl)ccc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587656163 CFSVZJDFOZTFTO-UHFFFAOYSA-N 413.235 5.198 0 1 HKAF CCOc1ccc(-c2nn(C(=O)C3CCCCC3)c(=O)c3ccccc23)cc1OCC 587668475 CCJLKDIEBJLZBB-UHFFFAOYSA-N 420.509 5.081 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CC=C(Br)CC2)N1 587681394 KSVDPVNPPBEEAD-ILMHXZGMSA-N 417.160 5.417 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)ccc2Cl)N1 587690982 AQOCZRZDASTVCZ-NSPYISDASA-N 410.758 6.163 0 1 HKAF CC(C)[C@@]1(c2ccc(OCCF)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587713236 CMOUFCKYSNPVIL-SZNDQCEHSA-N 424.329 5.370 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2C(F)(F)F)N1 587714564 VXWNEQSUAVNSEB-ZKANADHPSA-N 406.192 5.370 0 1 HKAF Cc1ccc(-c2cncc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 587774341 MQNYAWUBIUGPPW-JLCFBVMHSA-N 411.318 5.582 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccc(-c3ccccc3)cc2)N1 587820972 RTLREPYEKLSYEZ-KSFYIVLOSA-N 424.357 6.463 0 1 HKAF Cc1ccc2c(c1C)OCCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587833065 FHUQWCGLFIZZJO-LRTDBIEQSA-N 404.323 5.155 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccsc1-c1sccc12 587853690 AXRRPSFRYBONPV-VIFPVBQESA-N 406.345 5.518 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(Br)cc1 587856363 MDWCRQBLQOSIIV-UHFFFAOYSA-N 412.114 6.007 0 1 HKAF COc1ccc2sc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587859078 VKBQFFUJNSKBDA-DGIBIBHMSA-N 406.320 5.435 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)N[C@@H]1CCC[C@H](C)[C@@H]1C 587864641 QUOGRIXCJAFAMH-HEHGZKQESA-N 411.493 5.125 0 1 HKAF COc1ccc2c(c1OC)[C@](c1cc(Cl)cc(Cl)c1)(C1CC1)N(C)[C@@H](C)C2 962634121 PYVUZQQOUWELQO-WHEQGISXSA-N 406.353 5.541 0 1 HKAF c1ccc(-c2cnc([C@@H]3c4ccccc4C[C@@H]4CN(c5ccccc5)CCN34)s2)cc1 962645830 RXSWOUFEROIQDP-BVAGGSTKSA-N 423.585 5.646 0 1 HKAF Fc1ccc(Br)c2c1[C@]1(CC2)NCCc2cc(-c3ccccc3)ccc21 962671188 WTWVXDXPYUHTFB-HSZRJFAPSA-N 408.314 5.591 0 1 HKAF Cc1cccc(C)c1CC[C@@]1(c2cccc(F)c2)c2ccc(F)cc2C[C@H]2CCCN21 963109806 MJBQKJCRKHGYAK-LEAFIULHSA-N 417.543 6.479 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@]2(c1ccsc1)c1ccc(Cl)c(Cl)c1 963271941 YHLJXOJCKGASGP-FQEVSTJZSA-N 424.780 6.155 0 1 HKAF CCn1cc(-c2ccc3c(c2)[C@@H](Nc2ccc(Cl)cc2)CCc2nnc(C)n2-3)cn1 1857540414 ZSBDKRBBDNFMHY-NRFANRHFSA-N 418.932 5.212 0 1 HKAF Cc1ccc(S(=O)(=O)Oc2ccc(NC(=O)C3CCCCCCC3)cc2)cc1 1857574755 XYOGJCLXOKQTNI-UHFFFAOYSA-N 401.528 5.062 0 1 HKAF CCc1oc2ccccc2c1C(=O)c1ccc(Br)c(O)c1Br 1857576720 YRKLGGCBKIKQIQ-UHFFFAOYSA-N 424.088 5.457 0 1 HKAF CC1(C)C(=O)N(c2ccc(C(F)(F)F)cc2)C(=O)N1c1cccc(C(F)(F)F)c1 1857620109 PSLRGRBUZXPSMD-UHFFFAOYSA-N 416.321 5.476 0 1 HKAF O=C(Nc1ccc(Nc2ncnc3c2Cc2ccccc2N3)cc1)c1cccc(F)c1 1857643963 ARSNYCRVJGMHPC-UHFFFAOYSA-N 411.440 5.259 0 1 HKAF Clc1ccc(CCN2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1Cl 1857646949 QSGKSMVFHCLOMK-TWRVUUBYSA-N 405.413 5.431 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@@H]4[C@H]3CC[C@@]12C)C(C)C 2356426264 RUTWTMKUPVASND-WKORXJSASA-N 400.691 7.635 0 1 HKAF Oc1ccc(C=Cc2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@@H]3c2ccccc2)cc1 2356515566 SJLDVTZZJYMCTL-IXCJQBJRSA-N 422.480 6.239 0 1 HKAF C[C@@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@@H]1C[C@@H]1C 2356679500 AOOVLQXWRHMRMX-IQLMOGTBSA-N 412.702 7.635 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(Br)ccc3OC)c(CC(=O)O)c2c1 3746021 YTGOLXGLVNVBDE-GFCCVEGCSA-N 416.315 5.747 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@@]43C)[C@@H]1CCC2=O 13448416 FXJBFSBELBAUFO-JOUQHHRDSA-N 413.565 5.409 0 1 HKAF CC(=O)OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 13527359 MLKITGHXXPWOSH-UHFFFAOYSA-N 423.623 5.100 0 1 HKAF C[C@@H]1C(=O)c2c([nH]c3ccc(Cl)cc3c2=O)C[C@@H]1c1ccc(Cl)c(Cl)c1 27082942 OABGRILNAUDEHD-CABZTGNLSA-N 406.696 5.647 0 1 HKAF Cc1cnc([C@H](CO)Cc2cccc3ccccc23)cc1OCCOc1ccccc1 27564402 XGROPVKNGSUIMH-QHCPKHFHSA-N 413.517 5.320 0 1 HKAF C[C@H](Nc1cc(-c2ccc3ccccc3c2)nc2ccccc12)[C@H](O)c1ccccc1 29486304 XISAPCWSOWCRRT-VKGTZQKMSA-N 404.513 6.589 0 1 HKAF C[C@H](COC(=O)c1ccccc1)[C@H]1CC[C@H]2[C@@H](OC(=O)c3ccccc3)CCC[C@]12C 34622913 SKESBUYREZNFRE-WUQKEVEASA-N 420.549 5.922 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 34801269 DXSCVNXGNJVZAB-PSWJACPDSA-N 412.618 5.013 0 1 HKAF Cc1ccc(-c2ccc3c(c2)N(c2nc4c(s2)C(=O)CC(C)(C)C4)CCO3)cn1 40394830 RQMVABRSLSHVJK-UHFFFAOYSA-N 405.523 5.199 0 1 HKAF Cc1nc2c3c(c(C(=O)Nc4ccccc4)cn2c1C)CC[C@@]1(CCc2ccccc21)O3 40933497 LVJLGZMZGUAMKX-HHHXNRCGSA-N 423.516 5.370 0 1 HKAF CCCN(CCC)C(=O)Cc1c(-c2ccc(O)cc2)nc2c(Cl)cc(Cl)cn12 40940637 GKAZPCATGVRFSI-UHFFFAOYSA-N 420.340 5.205 0 1 HKAF O=C(COc1ccc2oc(-c3ccccc3)cc(=O)c2c1)Nc1ccc2ccccc2c1 40975945 MRSIVOYTAXNGKK-UHFFFAOYSA-N 421.452 5.631 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4ccc(CN5CCCC[C@H]5CO)cc4)cc3)nc12 45302052 HRQQYEVHYLDUTM-DEOSSOPVSA-N 411.549 5.552 0 1 HKAF C[C@H](/C=C/c1ccccn1)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 45349899 ZUJKHLXYBCCAJM-YHCWGRHNSA-N 405.626 6.671 0 1 HKAF O=C1C(=O)N(Cc2cccc(Oc3ccccc3)c2)c2ccc(OC(F)(F)F)cc21 64539409 UJIAYMRAJZOVQI-UHFFFAOYSA-N 413.351 5.107 0 1 HKAF CCN(CC)C(=O)[C@@H]1Sc2ccccc2-c2c1c1cc(OC)ccc1n2CCF 68208435 UZKHZSTUQXRUJW-JOCHJYFZSA-N 412.530 5.302 0 1 HKAF C[C@@H](C(=O)O)c1ccc(C[C@H]2CCCC2=O)cc1-c1ccc(OC(F)(F)F)cc1 72106680 ARWOCFJIVTVKBD-CZUORRHYSA-N 406.400 5.352 0 1 HKAF Brc1ccc([C@]2(Cc3cccnc3)c3ccccc3-c3nccn32)cc1 72112771 YUWLXYWIQFMMGU-JOCHJYFZSA-N 402.295 5.056 0 1 HKAF Cc1oc(-c2cnc(N3CCCC3)nc2-c2ccccc2F)nc1-c1ccccc1 82175488 CBPMRBQDVKVHFI-UHFFFAOYSA-N 400.457 5.513 0 1 HKAF Cc1nc(-c2cnc(N3CCCC3)nc2-c2ccc(-c3ccccc3)cc2)sc1C 82176538 GAPFBMWUDCACCV-UHFFFAOYSA-N 412.562 6.151 0 1 HKAF O=C1N(CCc2ccccc2)CCC12CCN(Cc1ccc3cc(F)ccc3c1)CC2 95577853 XVMZVYIOOMUWAM-UHFFFAOYSA-N 416.540 5.036 0 1 HKAF Cc1cc(Oc2ccccc2-c2ccccc2)ccc1S(=O)(=O)Nc1ncns1 95582902 DHVVZADGCBDBDT-UHFFFAOYSA-N 423.519 5.107 0 1 HKAF COc1ccc([C@@H](O)CCc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1 96258468 BZPKZNONVBTDKL-QFIPXVFZSA-N 422.521 5.427 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](CCN)CC[C@]4(C)[C@H]3CC[C@@]21C 96914254 BNICBSRNZPZLHZ-LKHYOGBDSA-N 415.750 8.073 0 1 HKAF Clc1ccc(C2=NN(c3ccccc3)[C@@H](c3noc(-c4ccccc4)n3)C2)cc1 96914459 HRBJJVCARICPIB-OAQYLSRUSA-N 400.869 5.746 0 1 HKAF CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1ccc(F)cc1 103229093 XVWLZSRJUKSIMK-UHFFFAOYSA-N 401.758 5.291 0 1 HKAF COc1ccc(CN(Cc2ccccc2)Cc2ccc(Br)cc2)cc1O 103282297 BRJLNESNMQYEGX-UHFFFAOYSA-N 412.327 5.366 0 1 HKAF CCCCOc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)OCC 103543814 PRLOEDDUTGMFOV-JOCHJYFZSA-N 411.542 5.873 0 1 HKAF COc1ccc(-c2cc(N[C@H](C)c3cccc(-c4cnn(C)c4)c3)nc(C)n2)c(F)c1 143957025 ACWPOUREYFAPKF-OAHLLOKOSA-N 417.488 5.173 0 1 HKAF O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1 146387266 IMHNVNMIOFDRIW-UHFFFAOYSA-N 406.441 6.387 0 1 HKAF O[C@@H](C[C@@H]1CCCCN1)c1cc(Nc2ccc(Cl)cc2)nc2ccc(Cl)cc12 169334720 MVBBSLWLXVZHCU-UWJYYQICSA-N 416.352 5.851 0 1 HKAF C[C@H]1c2ncn(-c3ccccc3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl 218520709 SAYIMIUULPUCOP-ZDUSSCGKSA-N 419.834 5.304 0 1 HKAF CCOC(=O)[C@H](C)CC[C@H]1[C@H](C)C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1C(C)(C)CCC[C@]12C 238736408 AOEYJVULCDXRBE-MRNBANJPSA-N 404.635 6.440 0 1 HKAF C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](OC(=O)C=C(C)C)[C@]2(C)[C@H]1C 238750051 JKNRDFAUDFWMHQ-CNUVDFDASA-N 414.542 5.625 0 1 HKAF CC(=O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@H]12 255205326 DCBAVUVLEYSTPU-NESZFACRSA-N 412.702 8.067 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CN2 255218110 HOEJSFZVOUECLS-ARFBNMCRSA-N 414.678 5.333 0 1 HKAF CC(C)[C@@H](C)[C@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255245357 NIOJVSIHZSJIAU-GTKKGFQBSA-N 412.702 7.491 0 1 HKAF c1ccc(C2=NN=C(c3ccccn3)[C@H]3[C@@H]2[C@@H]2C[C@H]3[C@@H]3[C@H]2[C@H]2C[C@H]3c3ccccc32)nc1 299809421 QAEQEAQDVFBXJR-QIWDAYJZSA-N 416.528 5.083 0 1 HKAF Cc1cc(-c2nc3c(C)c(Br)ccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586878345 FACXERZUZJLEQB-UHFFFAOYSA-N 421.294 5.974 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(OC(F)(F)F)ccc4[nH]3)cc2)CC1 586878893 BSFKYIGHJGYPIN-QAQDUYKDSA-N 416.487 7.593 0 1 HKAF CCc1ccc(-c2nc3ccc(O)c4c3c(c2CCC(=O)O)-c2ccccc2C4=O)cc1 586989733 DHKVVWKKUPJDKK-UHFFFAOYSA-N 423.468 5.398 0 1 HKAF C[C@@H]1CCc2sc(-c3nc4c(Br)cc(C(F)(F)F)cc4[nH]3)cc2C1 587033602 KHSBNWYSCPUUQV-MRVPVSSYSA-N 415.278 6.198 0 1 HKAF CC(C)Oc1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2cc1Br 587037861 ZQMWSRWGANVORP-INIZCTEOSA-N 407.333 5.031 0 1 HKAF FC(F)(F)c1cnc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2c1 587040611 PENUFXNODFFONX-UHFFFAOYSA-N 412.440 5.822 0 1 HKAF CCN1C(=O)C[C@@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)[C@@H]1c1ccccc1Cl 587062612 YJMAWXXTZCHFGS-ACJLOTCBSA-N 423.822 5.192 0 1 HKAF FC(F)(F)c1ccc(-c2nc3c(Br)ccnc3[nH]2)c(C(F)(F)F)c1 587094827 ITZYTZYSCKVOPR-UHFFFAOYSA-N 410.115 5.425 0 1 HKAF COc1ccc2c(c1)C=C(c1nc3c(C)ccc4c3c(c1C)-c1ccccc1C4=O)CO2 587100754 HRWWILBHMGNFIS-UHFFFAOYSA-N 419.480 6.005 0 1 HKAF Cc1c(Br)ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 587124037 HULRHKMZRDAUJI-WTKPLQERSA-N 413.262 6.416 0 1 HKAF CCOc1cc(/C=C\c2nc3ccc(OC(F)(F)F)cc3[nH]2)ccc1OC(F)F 587131169 VILPFWLQZIGQCZ-YWEYNIOJSA-N 414.330 5.632 0 1 HKAF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)C(F)(F)C1 587132129 KNUQBNXJXOXBBD-SNVBAGLBSA-N 423.407 5.144 0 1 HKAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 587160745 GAKZUGLCFLNCIY-MNOVXSKESA-N 415.184 5.634 0 1 HKAF CN(C)CCOc1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1 587163092 GXQIQTHJWMCUCV-RGEXLXHISA-N 407.514 5.293 0 1 HKAF CCCOc1cc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c2cc1Br 587174873 NCUBXNHAGUZOIE-UHFFFAOYSA-N 402.267 5.325 0 1 HKAF COc1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cc1Cl 587182192 BLXTTWGTCKWHJS-UHFFFAOYSA-N 419.049 5.150 0 1 HKAF Cc1c(Br)ccc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c12 587205526 RVVBZYXEIQBJMC-AWEZNQCLSA-N 410.356 5.116 0 1 HKAF CCOC(=O)c1sc(Nc2ccccc2)c(-c2cc3c4c(cccc4n2)CC3)c1C 587216419 BGJVIPUMPMYDEP-UHFFFAOYSA-N 414.530 6.291 0 1 HKAF CC[C@@]1(c2c(F)ccc(F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332442 LNQRLDGEZVJKIB-WMZHIEFXSA-N 416.370 5.613 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCc3cc(Cl)ccc32)[C@@H]1c1ccc(F)cc1 587335390 WLUVRUAPYRPMLN-VWNXMTODSA-N 408.856 5.775 0 1 HKAF COc1cc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC 587345922 ADYOEWCJMIVDCA-ZCYQVOJMSA-N 422.452 5.131 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)[nH]c3cccc(Br)c13)O2 587370531 FXWWCBPCRACVKL-CQSZACIVSA-N 405.679 5.181 0 1 HKAF CSc1ccccc1C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587371199 BKHASMQBCLOTKT-LADGPHEKSA-N 408.494 5.614 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1N1CCCCC1)O2 587377974 QXNHMIRPWHQSHQ-HXUWFJFHSA-N 415.331 5.037 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cnccc1-c1cccc(Br)c1)[C@@H](C2)C3=O 587419989 VLAUILLNEZATMY-HTAPYJJXSA-N 422.278 5.008 0 1 HKAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(C(C)(C)C)ccc41)[C@@H](C2)C3=O 587447462 SEUFQEZCEDUCHU-DWACAAAGSA-N 424.496 5.228 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3c(C)noc3C)cc1)CC2=O 587486132 SOXAFUDAEWGJKR-HSZRJFAPSA-N 407.466 5.235 0 1 HKAF CC(C)Oc1c(Cl)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587496197 BXCNFRUWCVCQMK-HXUWFJFHSA-N 405.321 6.366 0 1 HKAF O=C1C[C@](Cc2nc3ccccc3[nH]2)(c2cccs2)Oc2c1ccc1c2CCCC1 587529992 CAAQWOZGEYZFFK-VWLOTQADSA-N 414.530 5.607 0 1 HKAF CC(C)[C@]1(Cc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545600 HNPRCTCHTRJVSJ-QPPBQGQZSA-N 408.881 5.645 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccccc2)o1 587610690 DPSBSFHJQIQRAD-ZJSXRUAMSA-N 416.454 5.839 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)s1)C1CCC1 587613696 PSSDXLACQMSOOV-DENIHFKCSA-N 412.894 5.764 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc4c(c3)OCCO4)c2c1 587640275 GTWFFHARULJIQS-LBPRGKRZSA-N 403.400 5.702 0 1 HKAF O=C(c1sc2cccc(Cl)c2c1Cl)n1ncc2ccc(Cl)cc2c1=O 587652961 ACMVZWOMFMXKJL-UHFFFAOYSA-N 409.681 5.260 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(Cl)c3)o2)N1 587700749 LZZMOSMUXRLVOH-PRWKNARSSA-N 420.709 6.125 0 1 HKAF CCc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587708855 FIKNBJVQMFJWFS-ZMZPIMSZSA-N 416.256 5.491 0 1 HKAF CC[C@]1(c2cc(F)c(OC)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587719054 KDQVYTVOKNUURA-APBUJDDRSA-N 414.265 5.063 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OC(F)(F)F)c2)N1 587721390 PTFUEOVBVKRKMV-BTDLBPIBSA-N 418.228 5.285 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2c(F)cccc2Cl)N1 587722154 RIJYDGXUGNAZLC-DXXWUUCVSA-N 412.705 5.844 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(F)cc2)N1 587733477 LQWOYLLQVYFGSG-FPTDNZKUSA-N 414.293 5.553 0 1 HKAF Cc1cccc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587755341 OUTPAFXZWYLBTA-RCDICMHDSA-N 413.334 5.619 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2c[nH]c3ccccc23)N1 587801901 IBGNMSIEYXWLET-YEJXKQKISA-N 401.323 5.452 0 1 HKAF COc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)CCCC2 587812023 YHMYUUXNBFZGBB-LAJNKCICSA-N 404.323 5.099 0 1 HKAF CC(C)CCC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587812814 KWJKZXXCSUHUMH-OPAMFIHVSA-N 404.367 6.192 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sccc2Oc2ccccc2)N1 587844429 NVBPSNGPQHZQNP-HXPMCKFVSA-N 418.331 6.066 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC/C2=C\c2cccs2)N1 587849980 CLWZIZRYQPIUQS-AGVBCRDHSA-N 406.364 6.037 0 1 HKAF CCC(C)(C)[C@]1(c2ccc(C)cc2C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962951283 FVDYBRLZCDMCHZ-FDDCHVKYSA-N 421.915 5.514 0 1 HKAF Cc1sc2c(c1C)CCN[C@]2(Cc1ccccc1Br)c1ccco1 963007092 GIRLSWJYOXQFFY-HXUWFJFHSA-N 402.357 5.352 0 1 HKAF Brc1ccc([C@H](OCCCc2cnc[nH]2)c2ccc3ccccc3c2)cc1 1772579513 XKAQYEAHVGQUFQ-QHCPKHFHSA-N 421.338 6.064 0 1 HKAF COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(Cc3ccccc3Cl)CC1)C2 1772613994 RHZKAWSSJKSGEO-LJQANCHMSA-N 413.945 5.015 0 1 HKAF O=C1N[C@](c2ccsc2)(c2ccccn2)CC(O)=C1Sc1ccccc1Cl 1857558393 WFOJPKOJXMWJDQ-HXUWFJFHSA-N 414.939 5.122 0 1 HKAF CCCCCCC(C)(C)c1cc(OCCCO)c2c(c1)OC(C)(C)c1cn(C)nc1-2 1857558870 VPWVZUNDANMHMQ-UHFFFAOYSA-N 414.590 5.724 0 1 HKAF O=C(O)c1ccc(-n2nc(C(=O)c3c(Cl)cccc3Cl)c3ccccc32)cc1 1857591584 GVWQZVAMODQAFX-UHFFFAOYSA-N 411.244 5.262 0 1 HKAF O=C(NCc1cccc(C(F)(F)F)c1)c1cnn(-c2ccc(Cl)c(Cl)c2)c1 1857620573 NXBNNRDKPVVLMA-UHFFFAOYSA-N 414.214 5.128 0 1 HKAF CCCCCSc1nc2c(s1)-c1ccc([C@H]3CC[C@](N)(CO)C3)cc1CC2 1857773517 WBHWJHOKRUOMIE-HTAPYJJXSA-N 402.629 5.148 0 1 HKAF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CCCC=CC=Cc4ccccc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c2ccccc2-c2cc[nH]n2)CCN(Cc2ccc(OC(F)(F)F)cc2)C1 61905813 HPIXCFXWEXEKGL-OAQYLSRUSA-N 417.431 5.019 0 3 HKAF O[C@@H](c1cccc(CN2CCCCC2)c1)c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 61908584 CAVRLQXVONBEOZ-NRFANRHFSA-N 415.459 5.163 0 3 HKAF COc1ccc(-c2nc3ccc(Br)cn3c2CC(C)(C)C)cc1OC 95570864 IVYNBBAMSMWZOU-UHFFFAOYSA-N 403.320 5.370 0 3 HKAF CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OCc1ccccc1)[C@@H](c1ccc(Cl)c(Cl)c1)C2 13523243 QFEVQBUJEXGMJH-NLEAXPPASA-N 404.337 5.303 0 1 HKAF O=C(c1cc(-c2ccccc2)c(N2CCCC2)s1)N1CCC(N2CCCCC2)CC1 20985688 XIYZNCJRQUZBPV-UHFFFAOYSA-N 423.626 5.106 0 1 HKAF CC(C)(C)c1ccc(-c2c[nH]cc2[C@@H](c2ccc(Cl)cc2Cl)n2ccnc2)cc1 26653363 DULCCGQQCJNKEM-HSZRJFAPSA-N 424.375 7.120 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H]1CCCCO1 28710845 ZQIZHDKTSINYDM-IELUMNCWSA-N 402.619 7.244 0 1 HKAF C[C@@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@@H](N)c2ccccc2)c1 29409834 NBDIZIFCDBWQLF-ZGOJTZKKSA-N 404.642 6.663 0 1 HKAF CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)sc2-c2ccc(F)cc2)cc1 36126892 IPSWLWPSIVTXOW-UHFFFAOYSA-N 401.406 5.039 0 1 HKAF CC(C)c1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3oc2=O)cc1 40395768 NOWKVFZIFYZZQO-UHFFFAOYSA-N 413.473 5.748 0 1 HKAF O=C(O)c1cccc(-c2ccnn2-c2cc(Cl)ccc2OCc2ccccc2)c1 40762814 PIPONMFWLPFDJG-UHFFFAOYSA-N 404.853 5.470 0 1 HKAF O=S(=O)(Nc1ccc2c(c1)ncn2Cc1ccccc1)c1cccc2ccccc12 40848165 CHIUGYYZRLVVDZ-UHFFFAOYSA-N 413.502 5.039 0 1 HKAF CCCCCC[C@@H](CCCCC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 40919253 ZEGYSAGYZWXFLE-HZPDHXFCSA-N 410.045 5.208 0 1 HKAF O=C(Nc1ccccc1)Nc1cccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)c1 43014549 HYHNNPKOTNCPJU-UHFFFAOYSA-N 404.473 6.541 0 1 HKAF FC(F)(F)c1cccc(NC(=S)N2CCC[C@H]2c2ccccc2C(F)(F)F)c1 45289634 KXKVMDYUUZSQNP-INIZCTEOSA-N 418.406 6.258 0 1 HKAF O=C(O)Cc1sc(-c2ccc(Oc3ccccc3)cc2)nc1-c1ccc(Cl)cc1 45338917 ISRQTYUCKOQIQL-UHFFFAOYSA-N 421.905 6.550 0 1 HKAF CC(C)Cn1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21 63298072 VLEFVPMCVJDTHZ-UHFFFAOYSA-N 405.502 5.457 0 1 HKAF CCC[C@]1(c2ccc(F)cc2)c2c(ccc(F)c2F)NC(=O)N1CC(F)(F)F 64361465 IQVUPZJBPVTVJH-SFHVURJKSA-N 402.338 5.557 0 1 HKAF Cc1c(Br)ccc2nc(-c3ccccc3Cl)c(NC3CCCCC3)n12 72176157 CCDUMZTZNYRGFT-UHFFFAOYSA-N 418.766 6.470 0 1 HKAF CC[C@H](C)Nc1ncc(C(=O)N[C@H](C)CC)c(-c2ccc(-c3ccccc3)cc2)n1 82154177 WFMGIIWYZNPQFL-MSOLQXFVSA-N 402.542 5.549 0 1 HKAF Cc1cccc(-c2nc(NCCc3ccccc3F)ncc2-c2nc(C)c(C)o2)c1 82173662 ILEQBGIONVATEU-UHFFFAOYSA-N 402.473 5.518 0 1 HKAF COc1ccccc1CCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccccc2C)n1 82177707 NPLIXKSNHZYBIZ-UHFFFAOYSA-N 414.509 5.387 0 1 HKAF O=C(Nc1cccc(F)c1)N1CCc2sccc2[C@H]1c1ccc(C(F)(F)F)cc1 84654144 LJWFMELYNHKQCS-LJQANCHMSA-N 420.431 6.086 0 1 HKAF Nc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(Cl)c(Cl)c1 85679164 BPTZJURJGXOPDP-UHFFFAOYSA-N 423.347 6.100 0 1 HKAF COc1ccc(Oc2c(Cl)cnn(-c3ccc(-c4ccccc4)cc3)c2=O)cc1 95558622 WGXLQWYTEYDZIX-UHFFFAOYSA-N 404.853 5.354 0 1 HKAF C=C/C(C)=C/C[C@H]1C(C(=O)N[C@@H](C)c2ccccc2)=CC[C@@H]2C(C)(C)CCC[C@]12C 95914309 MSTFSWXMCDISCF-HVNZSLGBSA-N 405.626 7.165 0 1 HKAF biogenic,in-vitro CC(C)c1cc(C(C)C)c(S(=O)(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3C2)c(C(C)C)c1 102399200 UPDRUSLBSAMXRH-PTRHGPIFSA-N 401.616 5.499 0 1 HKAF CC1(C)c2ccc(C3=CCN(C4CC4)CC3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21 114801329 ICJZEVNOEHMPJN-UHFFFAOYSA-N 407.517 5.161 0 1 HKAF OCCc1ccc([C@@]2(c3cccs3)C[C@@H]3c4ccccc4[C@@H]2c2cccc[n+]23)s1 169337915 IZEPCKLRFRANHV-SDUSCBPUSA-N 416.591 5.057 0 1 HKAF CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1cc(-c2ccsc2)nc2ccc(OC)cc12 253635756 CCUUAAWNWMSJJT-QBGYIRFESA-N 408.567 5.126 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]45C[C@@H](O)CC[C@]4(C5)C3=CC[C@]12C 255200866 BSDPKBFUXWNFKP-JHODXNSYSA-N 410.686 7.555 0 1 HKAF CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]1[C@H](C)C[C@@H]1[C@H]2CC=C2C[C@@H](O)CC[C@@]21C 261151608 PBBCMNZIPIUBND-LPXUQIRESA-N 402.663 6.215 0 1 HKAF Oc1ccc(-c2cccc(-c3nc4cccc(I)c4[nH]3)c2)cc1 586897377 CVWMTOUIAKGSIQ-UHFFFAOYSA-N 412.230 5.207 0 1 HKAF O=C1c2ccccc2-c2cc([C@@H]3C[C@@H]3c3c(F)cccc3Cl)nc3ccc(O)c1c23 586986940 RKXVQYIIYGCIKS-CABCVRRESA-N 415.851 6.215 0 1 HKAF CC(C)n1c(-c2nc3c(Cl)cccc3[nH]2)cc(Br)c1Br 587005299 RURKRJPCRHPRDS-UHFFFAOYSA-N 417.532 5.791 0 1 HKAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(OCc3ccccc3)cc2[nH]1 587038960 CTCIEOBIKHQELA-IBGZPJMESA-N 411.527 5.124 0 1 HKAF Clc1cccc(OCc2ccc(-c3nc4c(cnc5ccccc54)[nH]3)o2)c1Cl 587056415 NWBKWRUSZMDCIY-UHFFFAOYSA-N 410.260 6.257 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cccc(C(N)=O)c2[nH]1 587072896 ZOFOJEMLBQNJGL-YLJPPSQVSA-N 400.309 5.335 0 1 HKAF FC(F)(F)C(F)(F)c1cc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2cn1 587074262 UWDVYIPQQUTURM-UHFFFAOYSA-N 424.760 5.994 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(OC)cc4[nH]3)c(Cl)cc12 587077954 CYILYORCKDLNJT-LBPRGKRZSA-N 412.873 5.424 0 1 HKAF FC(F)(F)Oc1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 587082552 RXSXXQPVZWPBGV-UHFFFAOYSA-N 408.767 5.015 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cccc(F)c2[nH]1 587086351 GVURSGZQVMQGHV-KTKRTIGZSA-N 401.272 5.732 0 1 HKAF FC(F)(F)c1cc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)cc(C(F)(F)F)c1 587109999 LILAKKCQVPTTNU-UHFFFAOYSA-N 414.136 5.893 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3ccc(F)c(F)c3)[nH]c12 587145703 OVLZCIDINJUIOF-UHFFFAOYSA-N 417.337 5.779 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2C2CCCCC2)[C@@H]1c1ccc(F)cc1 587347495 AZAVSUQZADAKJY-NOOIUNMQSA-N 408.513 6.400 0 1 HKAF COc1ccc2c(c1)[C@H](C)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354777 VRUUMJSNIPXYPK-TYFWRAIDSA-N 418.464 5.388 0 1 HKAF Cc1cc(C)c2c(c1)OCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587360378 VDDPILLEVJRKPO-NOZRDPDXSA-N 404.437 5.185 0 1 HKAF COc1cccc(-c2cc(-c3ccccc3C3CCC3)nc3c2oc2ccccc23)c1 587364440 AAUUEHQVDTWFRI-UHFFFAOYSA-N 405.497 7.591 0 1 HKAF CCCC[C@H](O)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CCC 587365736 JMDLGNTYEYYNDT-NRFANRHFSA-N 403.522 6.833 0 1 HKAF CC(C)[C@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587371826 DLQILRWMRJHQEH-IFMALSPDSA-N 416.901 6.157 0 1 HKAF C/C(=C\[C@]1(c2ccsc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)N(C)C 587379576 YWMCARDFZDVDSI-SPHGZTGMSA-N 423.509 5.313 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C)c3ccc(Br)cc13)CC2=O 587457987 FEIUAKQKIXBGPO-HXUWFJFHSA-N 414.299 5.305 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Oc3ccc(F)c(F)c3)cc1)CC2=O 587467456 SGKDKLSDLXJWEL-VWLOTQADSA-N 424.443 6.296 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(CC)cc21 587487024 YKFTUNBQSYMIGD-HHHXNRCGSA-N 412.485 5.361 0 1 HKAF O=C1C[C@@](c2ccccc2)(c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 587501538 BIJXBWTVTPUDRT-RUZDIDTESA-N 423.339 6.781 0 1 HKAF CCCC/C=C\CCCCCCCCC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527870 XBVIORLTMRKKIS-XLQQFJOYSA-N 410.642 8.157 0 1 HKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)/C(=C\c1ccccc1)Oc1cc(O)ccc12 587532089 MVFGXQNDJYWCDQ-XGLZOBASSA-N 410.469 5.565 0 1 HKAF CC1(C)CC(=O)C(c2c(-c3ccc(F)cc3)[nH]c3ccc(F)c(Cl)c23)C(=O)C1 587630601 MJCHDWOYHKGAOT-UHFFFAOYSA-N 401.840 5.808 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2Cl)(C2CCCC2)N1 587695455 JXTZBZRKVYXRDO-YEJXKQKISA-N 422.769 6.210 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2cccc(Cl)c2)N1 587699614 LCPHJPZABOVANG-RTJDVGLLSA-N 423.757 5.095 0 1 HKAF CC(=O)c1c(C)cc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587815060 KCHDGWSKMJRGRD-QKVFXAPYSA-N 404.323 5.340 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C2CCCCC2)N1 587817635 CZCZCEXPPLHIJG-QRQCRPRQSA-N 402.351 5.946 0 1 HKAF Cc1cc2cc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)oc2cc1C 587826211 DKICZKKKXARRCB-ASSNKEHSSA-N 402.307 5.749 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2cccs2)N1 587849879 WUWOPPKQUSIZRL-LHSJRXKWSA-N 416.359 5.670 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(-c3ccccc3)s2)N1 587852159 DLMBEKVWDRARCL-VOJFVSQTSA-N 403.320 5.335 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3cccs3)cc2)N1 587852463 LEURZVGPKZLRNO-ZSEKCTLFSA-N 416.359 6.114 0 1 HKAF Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)sc2ccccc12 587853141 KYHUUMJBRXXJMW-PRWKNARSSA-N 404.348 5.909 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c(N)ncnc2[nH]1 587958372 FOZUQEVJRPHUFX-XSCOUVMYSA-N 419.617 6.789 0 1 HKAF O=C1N(c2ccc(Cl)c(Cl)c2)CCN1c1ccc(Cl)c(C(F)(F)F)c1 653714803 NEDCAATZUHEICH-UHFFFAOYSA-N 409.622 6.112 0 1 HKAF COc1cccc2cc3c(nc12)[C@@](c1cnccc1C)(c1c(C)cccc1C)NCC3 963072147 XICPYGYCDITENN-HHHXNRCGSA-N 409.533 5.001 0 1 HKAF CCOC(=O)CCCCCC[C@]1(c2ccccc2Cl)NCCc2ccc(O)cc21 963353835 UKQSHIWJXWJQBV-XMMPIXPASA-N 415.961 5.339 0 1 HKAF C[n+]1c(C=Cc2cc3ccccc3[nH]2)cc(NCCN2CCCCC2)c2ccccc21 1857533793 CQLFGGVQUCKWTI-UHFFFAOYSA-O 411.573 5.214 0 1 HKAF Clc1ccc(-c2cc(-c3c[nH]c4ccccc34)cc(-c3ccc(Cl)cc3)n2)cc1 1857569483 KGPBNSQUGBYYQW-UHFFFAOYSA-N 415.323 7.871 0 1 HKAF Cc1ccc(C)c(CC(=O)Nc2ccccc2-c2cccc3c2[nH]c2ccccc23)c1 1857755776 RIKJHQIGPBEOKF-UHFFFAOYSA-N 404.513 6.786 0 1 HKAF Fc1ccccc1-c1cnn2cc(-c3ccc(OCCN4CCCCC4)cc3)cnc12 1911571103 MIKWMIXPUMSRSU-UHFFFAOYSA-N 416.500 5.067 0 1 HKAF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 2356384890 YBXNGGUGZZCTHR-QYDDQGQXSA-N 422.697 8.319 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@]4(C)[C@@H]5CCC(=O)C(C)(C)C5=CC[C@@H]43)[C@H]2C1 2356481402 PAVVMAYETSJFLL-JKZCEKIASA-N 410.686 7.987 0 1 HKAF CC(C)=CCC[C@]12[C@H](O)CC[C@H](C)[C@]1(C)CC[C@](C)(O)[C@@H]2Cc1c[nH]c2ccccc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c1ccc(O)c2c(=O)cc(-c3cccc(Cl)c3)oc12)c1ccc(F)cc1 13661158 KHLPMNJJGCZNST-UHFFFAOYSA-N 409.800 5.210 0 3 HKAF Cn1c(-c2ccsc2)c(-c2cccs2)c2cc(-c3ccc4cc[nH]c4c3)ccc21 36388836 GHXNOUOTEAMJHT-UHFFFAOYSA-N 410.567 7.784 0 3 HKAF c1cncc(N=c2scc(-c3cccc4ccccc34)n2CCCn2ccnc2)c1 263592216 WBCRRYQLQUWYGY-UHFFFAOYSA-N 411.534 5.284 0 3 HKAF aggregator CN(c1nc2cc(Cl)ccc2s1)C1CCN(CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1 28957174 URYVEFLSPGPWDH-LPHOPBHVSA-N 416.034 5.843 0 1 HKAF CN(C)C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)Nc1ccc(Cl)c(Cl)c1 45202185 SRAWRVSXENWJTF-LJQANCHMSA-N 417.340 5.168 0 1 HKAF Cc1ccc(/C=C/C(=O)O)c(OCC[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c1 45340259 PKMNMSCDYRNEDJ-REJWQLKLSA-N 410.510 5.276 0 1 HKAF Cc1ccc(NC(=O)Nc2cccc(Cl)c2Cl)cc1-c1nc2[nH]ncc2[nH]1 49036473 DMCKKJFGHJQHIG-UHFFFAOYSA-N 401.257 5.212 0 1 HKAF O=C1S/C(=C\c2ccc(-c3ccccc3)cc2)C(=O)N1Cc1cccc(Cl)c1 49803376 KNTRBWZBLRDYCS-STZFKDTASA-N 405.906 6.244 0 1 HKAF COc1ccccc1[C@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(C)cc1 49803856 CSDHQBMXPXZRCA-AOHZBQACSA-N 420.509 5.848 0 1 HKAF Clc1cccc2c(-c3nc(CN4CCCC4)cs3)cn(CC3CCOCC3)c12 71294232 SBQOAGOMGALGOT-UHFFFAOYSA-N 415.990 5.441 0 1 HKAF CN(C)C(=O)C(C)(C)[C@@H](c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1 72116954 RMMKCNRVMPRUQW-XMMPIXPASA-N 412.537 5.484 0 1 HKAF CCCC[C@H](CC)CNc1nc(NCCC(C)(C)C)c2cc(OC)c(OC)cc2n1 82129420 AUPBPORFNYSDHE-KRWDZBQOSA-N 416.610 6.123 0 1 HKAF CC(C)N(Cc1ccccc1)C(=O)c1cnc(NCC2CC2)nc1-c1ccccc1F 82152785 MSRDIHZCQGQGLW-UHFFFAOYSA-N 418.516 5.155 0 1 HKAF C[C@H]1CCCC[C@@H]1Nc1ncc(-c2nc3ccccc3s2)c(-c2ccc(F)cc2)n1 82164189 DCLKPKYPAPAESH-KXBFYZLASA-N 418.541 6.550 0 1 HKAF Cc1ccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccccc3C)n2)cc1 82177744 MWSDSHUKZKAHMA-UHFFFAOYSA-N 414.578 6.155 0 1 HKAF O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(C2CCC2)nn1-c1ccccc1 96273847 HWFDNIKGXJLHGC-UHFFFAOYSA-N 400.404 5.803 0 1 HKAF CCO[P@](=O)(Nc1cc(-c2ccccc2)sc1C(=O)O)C1CCC(C)CC1 148842505 PERWXTGSISIBKA-PGLALFKDSA-N 407.472 6.334 0 1 HKAF COC[C@H](NC(=O)C1CCN([C@H](C)c2cccc3ccccc23)CC1)c1ccccc1 169312109 WOZLZEADGGHBFH-IBVKSMDESA-N 416.565 5.117 0 1 HKAF CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(-c2ccc(C)cc2)cc1 169330444 NXLOCHVBQOLZIS-UHFFFAOYSA-N 403.913 5.456 0 1 HKAF CC(C)CCC[C@@H](C)/C=C\C[C@@H](C)CCC[C@@H](C)/C=C\CC/C=C\CCCC(=O)O 169636573 YFZUHLGNZYWTSU-ZFEPDOSNSA-N 418.706 8.985 0 1 HKAF O=C(Oc1ccccc1)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 253632611 BTRDJLBCRUKQNT-CVXSRXTPSA-N 414.332 5.465 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(S(=O)(=O)CC)ccc4[nH]3)cc2)CC1 586881974 YYGZUCCLWVYMRI-WGSAOQKQSA-N 424.610 6.488 0 1 HKAF CCCCOc1cc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1Br 586902357 KPBZDEBWTUPAHJ-RDTXWAMCSA-N 401.304 5.073 0 1 HKAF Cc1cc(Br)ccc1OCc1nc2ccc(Oc3ccccc3)cc2[nH]1 586981229 MOMAUUKZMZMLSZ-UHFFFAOYSA-N 409.283 6.005 0 1 HKAF COc1ccc([C@H]2CCCc3c2nc2c(C)ccc4c2c3-c2ccccc2C4=O)cc1F 586994702 COBXIXKLJJQLSU-QGZVFWFLSA-N 423.487 6.371 0 1 HKAF Cc1c(Cl)ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 586998533 LZUINYUMFMUEFS-YRNVUSSQSA-N 413.702 6.718 0 1 HKAF Cc1cnc(Cl)c2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc12 587051244 ZROOXVFGEHLZNA-UHFFFAOYSA-N 404.300 7.060 0 1 HKAF Clc1ccccc1-c1ccc(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 587063244 QRPMRIHNPBROQE-UHFFFAOYSA-N 424.931 7.053 0 1 HKAF FC1(F)Oc2cc3nc(-c4ccc(COc5ccccc5Cl)cc4)[nH]c3cc2O1 587063374 LQPZLMJGDLBYBN-UHFFFAOYSA-N 414.795 5.784 0 1 HKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(Br)c(F)c(F)c2[nH]1 587066729 QIQPEZZGUWTNRL-MRVPVSSYSA-N 401.638 5.705 0 1 HKAF CCOC(=O)Cc1ccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2c1 587067521 FGBUQRBFFYIHPH-UHFFFAOYSA-N 420.896 5.148 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 587072565 RZRLDMKDFIYAQC-AKQNCTFISA-N 411.254 6.653 0 1 HKAF Clc1cc(Br)c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2c1 587083705 HFVYORJPUOJZOR-UHFFFAOYSA-N 419.109 6.361 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(OC5CCOCC5)cc4)nc13)-c1ccccc1C2=O 587100764 IBLNPJRGXZVEFW-UHFFFAOYSA-N 421.496 5.979 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@](F)(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C1 587103638 MGAXLBRLOJKMLN-RUZDIDTESA-N 418.468 5.252 0 1 HKAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587109363 NDWGAGQQQUHERS-UHFFFAOYSA-N 408.685 5.619 0 1 HKAF Fc1cc(CCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc(F)c1F 587139098 WAIAJSVXKUDOOQ-UHFFFAOYSA-N 423.154 5.547 0 1 HKAF COc1ccc(Cc2nc(C)c(-c3cc4c5c(cccc5n3)CC4)s2)cc1OC 587360393 MZYVLRYOOMZLLR-UHFFFAOYSA-N 402.519 5.373 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3c(F)c(F)cc(F)c3F)o1)O2 587382087 OBHQLTPVUNKCNE-KRWDZBQOSA-N 421.346 5.012 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccc(OCc4cccc(Cl)c4)c1)[C@@H](C2)C3=O 587419338 LAGRSEAMQWWQRV-GBXCKJPGSA-N 406.865 5.416 0 1 HKAF COc1ccc2c(c1)CC[C@@H](c1ccccc1)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440190 AZHMBKRMEJFIPW-AIUHUKMKSA-N 412.485 5.077 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(C(C)(C)Br)CC2=O 587454698 ZQIFHFSPPCWRDK-OAQYLSRUSA-N 403.316 5.379 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1OC(C)C)CC2=O 587457625 LORFHQDQVHRZKL-FQEVSTJZSA-N 419.315 5.601 0 1 HKAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccc(Cl)c(Cl)c1)CC2=O 587458942 ATQBCVUARJZMFZ-NEQMZLFVSA-N 420.336 5.588 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1sc3ccccc3c1Br)CC2=O 587495422 OECBMYRSUHHFMJ-MRXNPFEDSA-N 417.324 6.028 0 1 HKAF CCCOc1c(OC)cc(Cl)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587504691 XRTAOKQYCJOBKV-FQEVSTJZSA-N 400.902 5.723 0 1 HKAF COc1ccccc1-c1nc2ccccn2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516345 WCNMHICYJSKVIE-QHCPKHFHSA-N 424.500 5.595 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccccc2)[nH]c1Cl 587554893 YDRXRSDZJPVKRW-DYESRHJHSA-N 418.836 5.139 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(F)cc2)o1 587570067 JZURBMMJPMDSOZ-XUZZJYLKSA-N 402.377 5.494 0 1 HKAF COc1ccc2nc(C)c(Cc3c(C)[nH]c4ccc(F)c(Cl)c34)c(Cl)c2c1 587628241 JTLLYNZDRMYVNX-UHFFFAOYSA-N 403.284 6.378 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CC=C(Br)CC2)N1 587684940 RMMOXPWYYMMBNW-YOIRWDDOSA-N 417.160 5.417 0 1 HKAF Cc1ccc(OC(F)F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587720374 STUUMAJANCAMHU-DYZYQPBXSA-N 400.238 5.122 0 1 HKAF Cc1cc(F)ccc1-c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587730037 ICVCDFLCLTYRDC-XUSGNXJCSA-N 418.281 5.919 0 1 HKAF CCn1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587760610 ZHPNUHKXQQMQDA-ASSNKEHSSA-N 401.323 5.361 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CC[C@H](C2)N3c2ccccc2)N1 587767868 JZXLVWSLEUVKLS-LGMYAUFKSA-N 415.350 5.149 0 1 HKAF Brc1cc2nc(COC/C=C/c3ccccc3)[nH]c2cc1Br 587781375 UKKYJGXYOYXTFK-QPJJXVBHSA-N 422.120 5.318 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(=O)C3CCC3)c2)N1 587816277 VYXUKSIPLFIBPP-ODXCJYRJSA-N 402.307 5.195 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cscc2Br)N1 587851126 AJIFZJAYLMXMEV-VXJOIVPMSA-N 419.157 5.210 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1ccc(C(F)(F)F)cc1 587854469 FSCHCCOQIQHEHN-UHFFFAOYSA-N 415.242 6.323 0 1 HKAF Cc1oc(-c2cccs2)nc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587855478 VXZHLMJENLZJTB-XYZCENFISA-N 407.308 5.237 0 1 HKAF CCCCc1ccc(-n2c(O)ccc2OCCc2ccccc2)c(Br)c1 587936009 IYOKCCDLMGQPIP-UHFFFAOYSA-N 414.343 5.910 0 1 HKAF COc1ccc(C2(c3nc4cc(F)cc(Br)c4[nH]3)CC3(CCC3)C2)cc1 587936693 YJXDRTXJPFFUAJ-UHFFFAOYSA-N 415.306 5.723 0 1 HKAF CC(C)Oc1cc2nc(/C=C\c3cccc4ccccc34)[nH]c2cc1Br 587969458 TUQSTHUIXPDOIQ-KHPPLWFESA-N 407.311 6.436 0 1 HKAF COc1ccccc1[C@]1(CCc2cccc(F)c2)c2c(F)cccc2C[C@@H]2CCCN21 963115212 VCSPGJWHOWTSGJ-WXVAWEFUSA-N 419.515 5.870 0 1 HKAF COc1ccc(CC[C@H]2CN(Cc3c[nH]c4cc(Cl)ccc34)CCC2(F)F)cc1 1772577405 DZDZUDBHQPLSFJ-SFHVURJKSA-N 418.915 5.920 0 1 HKAF N[C@H](CCc1ccccc1)c1csc(NC(=O)Nc2cccc3ccccc23)n1 1857606511 HWEYWGOKWZLOOL-LJQANCHMSA-N 402.523 5.573 0 1 HKAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]21CN=C(NC2CCCCC2)O1 1857629109 SBFYSDRPQCQITH-YWBWYGPRSA-N 408.586 5.296 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CCC2=C3CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 2356375753 GLMODYUVPPNCQV-BXXBGEIUSA-N 412.702 7.801 0 1 HKAF CC(C)=CCC[C@@]12[C@H](Cc3c[nH]c4ccccc34)[C@@](C)(O)CC[C@@]1(C)[C@@H](C)CC[C@H]2O 2356528735 GFSPEIJDKJGERO-DCBHDDJESA-N 423.641 6.401 0 1 HKAF CC(=CCCC=C(C)CC[C@@H](O)C(C)(C)O)CCC=C(C)CC[C@H](O)C(C)(C)O 2356708115 FEBMZCYYLLUVSK-PKTZIBPZSA-N 410.639 5.210 0 1 HKAF CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3ccc(F)cc3n2)c1)C(=O)O 601879 BFNAFTJCDGWFMQ-UHFFFAOYSA-N 424.472 5.173 0 1 HKAF investigational Cc1[nH]c2ccccc2c1[C@@H]1Cc2ccccc2N1C(=O)/C(Cl)=C/c1ccccc1 1624782 NFQJXJCBMWOQDW-VNSJDZJPSA-N 412.920 6.387 0 1 HKAF CC(C)[C@@H](C)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F 2483072 CNEBVEFMANNYCR-GFCCVEGCSA-N 404.844 5.715 0 1 HKAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NCc3ccccc3)c2)n1C 13524514 TVBDBLCHNYCOHL-UHFFFAOYSA-N 404.514 5.622 0 1 HKAF O=C(Nc1ccccc1C(=O)O)c1ccc(N2CCCCC2)c(Oc2ccccc2)c1 13611191 HENQJQYUAKRHQU-UHFFFAOYSA-N 416.477 5.420 0 1 HKAF C[C@@H]1[C@H](O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@](C)(Cc3c[nH]c4ccccc34)[C@H](C)CC[C@@]21C 14684960 AOYNVKNXGQEQEA-BVWFRCNBSA-N 407.642 6.976 0 1 HKAF biogenic CC1=CC[C@H]2[C@](C)(CCC[C@@]2(C)COC(=O)C(C)C)[C@]12CC[C@@](C)(CC(=O)O)O2 15165069 XVYMYRQFBYKPIH-HVURCESRSA-N 406.563 5.131 0 1 HKAF biogenic Oc1ccc(CCN2CCC[C@H]2CO[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 27194665 KOKOBHAYDHKDFG-AHWVRZQESA-N 421.968 5.859 0 1 HKAF O=C(Nc1cccc2cnccc12)N[C@H]1CCc2cc(F)ccc2[C@@H]1Cc1ccoc1 28959303 MVMZTCPJMDJVMN-UPVQGACJSA-N 415.468 5.430 0 1 HKAF C=C(c1ccccc1)c1cccc([C@H](C)CN2CCCC[C@@H]2CC2CCCCC2)c1 29408164 GXQMYOOCLURGTN-RNWIMVQKSA-N 401.638 7.677 0 1 HKAF Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(c1ccc(F)cc1)C2=O 34804222 FKVLYYNFSQERBB-UHFFFAOYSA-N 416.283 5.122 0 1 HKAF COC(=O)[C@H](Oc1cccc(Cl)c1)c1ccc(Oc2ccc(Cl)cc2)cc1 39242696 LQOMQBBMSHQSCP-HXUWFJFHSA-N 403.261 6.079 0 1 HKAF Fc1ccc(Nc2nn3c(COc4ccc(-c5ccccc5)cc4)nnc3s2)cc1 42891034 BNQHPEOBDFTZPG-UHFFFAOYSA-N 417.469 5.315 0 1 HKAF Clc1cccc(-c2nnc3sc(Nc4ccc(Br)cc4)nn23)c1 82152654 VBKQMLUJKLBHPL-UHFFFAOYSA-N 406.696 5.012 0 1 HKAF CC[C@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCCCc3ccccc3)ncnc21 82179812 OVCBLGSLLOXCIE-SFHVURJKSA-N 415.541 5.290 0 1 HKAF COc1cc2c(c(O)c1C/C=C(\C)CCC=C(C)C)C(=O)N(CCc1ccccc1)C2 95911883 ULSKNVPXNYBAQZ-DEDYPNTBSA-N 419.565 5.835 0 1 HKAF biogenic,in-vitro NC1=N[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)c2c(ccc3ccccc23)O1 98084475 DECFBYQKXSETIZ-AREMUKBSSA-N 416.484 5.489 0 1 HKAF FC(F)(F)c1ccc(OCCCOc2ccc(OCC=C(Cl)Cl)cc2)nc1 103186386 FALIBPIJXVEACJ-UHFFFAOYSA-N 422.230 5.646 0 1 HKAF Cc1ccc(Nn2c(SCC(=O)c3ccc(Cl)c(Cl)c3)nc(C)c2C)cc1 103243299 YHMBMUCBJVJFJS-UHFFFAOYSA-N 420.365 5.965 0 1 HKAF Clc1ccccc1N1[C@@H](c2ccccc2)[C@]12C(c1ccccc1)=Nc1ccccc12 103276061 ASEADESIJRXCAJ-WPVVHWIUSA-N 406.916 6.931 0 1 HKAF O=C(NCCc1ccc(CN2CCCC2)cc1)c1ccc(-c2ccc(F)cc2)cc1 146410299 ZOYANYCYKPVGLQ-UHFFFAOYSA-N 402.513 5.061 0 1 HKAF NC1(c2ccc(-c3nc4c(Cl)cc(Cl)cn4c3-c3ccccc3)cc2)CCC1 168329053 LIMJLOWOEYGZCY-UHFFFAOYSA-N 408.332 6.313 0 1 HKAF COC(=O)c1ccc(-c2nccc3c(Nc4ccc(F)c(Cl)c4)c(N)oc23)cc1 222811478 MTJLKSCTJBVREN-UHFFFAOYSA-N 411.820 5.400 0 1 HKAF Cc1ccc(C(=O)c2cccc([C@H](C)CN3CCCC[C@H]3CC3CCCCC3)c2)cc1 253632700 AOIPFTOSYMPHIE-LXFBAYGMSA-N 417.637 7.154 0 1 HKAF CC[C@@H](C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 261173136 UGPMJKXBWQUZNC-KCZVDYSFSA-N 410.602 5.723 0 1 HKAF O=C(O)c1ccccc1/C=C/c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586880763 RVHUEWVSRVCDRY-AATRIKPKSA-N 411.177 5.213 0 1 HKAF O=C1c2ccccc2-c2cc(/C=C\c3ccc(C(F)(F)F)cc3)nc3ccc(O)c1c23 586986862 PTFLXQACKHZPBV-YFHOEESVSA-N 417.386 6.341 0 1 HKAF CC[C@@H]1c2cc(OC)ccc2Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990781 FCMNLRPKNQZTAD-MRXNPFEDSA-N 407.469 5.607 0 1 HKAF CCN1/C(=C/c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)Sc2ccccc21 586993796 PEORBAWWKNTQAA-UCQKPKSFSA-N 422.509 6.082 0 1 HKAF CCCn1cnc2cc(-c3nc4ccc5c(c4[nH]3)CCCC5)cc(Br)c21 587004746 ZPDCFTIGFYTGDO-UHFFFAOYSA-N 409.331 5.631 0 1 HKAF Oc1ccc2scc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2c1 587032367 INSSCYRZIZNDFT-UHFFFAOYSA-N 413.218 5.932 0 1 HKAF Clc1ccc(-c2cccc3ccccc23)cc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 587052034 VPBPRUHPIVLVTK-UHFFFAOYSA-N 422.879 5.679 0 1 HKAF CC(=O)c1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1 587056305 LLDOPRIBWGAVCV-UHFFFAOYSA-N 401.249 5.911 0 1 HKAF N[C@H](Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccccc1Cl 587057602 QBHITYCSQPSMFA-GFCCVEGCSA-N 418.644 5.240 0 1 HKAF Cc1cc(Cl)ccc1OCCCc1nc2cc(Br)c(F)c(F)c2[nH]1 587067161 WHSIZYXHYRHOJO-UHFFFAOYSA-N 415.665 5.577 0 1 HKAF COc1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1F 587069730 NWPZWUXMOFFNQJ-AQTBWJFISA-N 406.888 6.537 0 1 HKAF Cc1nccc2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc12 587074492 AUFIKPZZOIBSKP-VKAVYKQESA-N 422.919 6.622 0 1 HKAF Cc1c(Br)ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 587080676 SKEMTHJDNRPAAY-CQSZACIVSA-N 403.711 5.011 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(Br)ccc3O)nc3cccc1c23 587101027 CGOULJVIJFQSRF-UHFFFAOYSA-N 402.247 5.581 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(-c5ccccc5)ccc4O)nc13)-c1ccccc1C2=O 587101835 QNICXKBRXKMHGU-UHFFFAOYSA-N 413.476 6.794 0 1 HKAF Fc1ccc2[nH]c(-c3nc4ccc(I)cc4[nH]3)c(Cl)c2c1 587175690 YIGHWWZCHPFTFD-UHFFFAOYSA-N 411.605 5.108 0 1 HKAF Fc1cc(F)c2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2c1 587179247 SROGNFZMTJTVKA-UHFFFAOYSA-N 424.110 5.132 0 1 HKAF Cc1ccc(Cl)c2c1[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332062 QQGYXTGWBWAZSA-URXFXBBRSA-N 424.855 5.530 0 1 HKAF Cc1nc2ccncc2cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346791 NJNQPEKGEZQPGH-UKILVPOCSA-N 414.436 5.057 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC(C)(C)c3ccc(Br)cc31)O2 587374466 YGBGKHKIEBTVBJ-OAQYLSRUSA-N 400.316 5.272 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587419615 FISXAHQTKJHBTR-SBUREZEXSA-N 411.284 5.693 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4cc(OCc5ccccc5)ccc14)[C@@H](C2)C3=O 587438333 NPWHZYLZHKPZMH-RXFWQSSRSA-N 411.457 5.244 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)([C@@H](O)c1ccc(C)cc1)CC2=O 587490885 SNUKBLSNXYANLZ-SVBPBHIXSA-N 416.517 5.556 0 1 HKAF O=C1C[C@](c2cc(Cl)ccc2Cl)([C@@H]2CCOC2)Oc2c1ccc1c2CCCC1 587502620 DBADIWIQXVODAW-IQMFZBJNSA-N 417.332 5.769 0 1 HKAF O=C1C[C@@H](c2ccc(-c3ccc(C(F)(F)F)cc3)o2)Oc2c1ccc1c2CCCC1 587507327 LPPUKRMVUYNJTJ-QFIPXVFZSA-N 412.407 6.551 0 1 HKAF C[C@]1(Cc2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549085 PTBSMKBLBGSSLK-SIKLNZKXSA-N 414.379 5.374 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCNc1cc(Cl)ccc12 587551779 JNGCJKROAGDXMS-NFBKMPQASA-N 407.853 5.108 0 1 HKAF CC(C)[C@@H]1CCc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587601992 GNPJMMPZRITPDG-CNPGNWEMSA-N 400.474 5.468 0 1 HKAF CC(C)[C@]1(CSc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608196 PXKYTIYNHRBCLH-QPPBQGQZSA-N 406.503 5.541 0 1 HKAF COc1ccc2c(C)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)oc2c1 587615368 GQNMZLTZTWFZTI-RDPSFJRHSA-N 402.402 5.158 0 1 HKAF COc1c(Cl)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587692708 LNQRLWIPDQTQRB-BCTVWOGZSA-N 419.121 5.527 0 1 HKAF Cc1cccc(-n2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1C 587754794 MTNXSENGYDFOIR-FPTDNZKUSA-N 413.334 5.619 0 1 HKAF CC[C@]1(c2ccc([C@@H](C)OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587791595 KDSADDJFRUZZNI-PXIJXODZSA-N 406.339 5.483 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(c2ccccc2)N1 587811043 FRXJAZLVWAKLPS-XDHUDOTRSA-N 424.357 5.999 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccccc1-c1ccccc12 587828642 PDMMJRFNYASRHC-ZAMGYDSWSA-N 422.297 5.229 0 1 HKAF Cc1ccc(SC(C)(C)[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587842381 UXADDMUGUUCNLH-DJJJIMSYSA-N 408.380 6.043 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1C[C@H]1c1ccc(C)cc1 587865508 AKCLFHOJCBBRBI-RBUKOAKNSA-N 414.427 5.720 0 1 HKAF CCOc1cc(C=O)c(OCC)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 587945905 SZQNHQYGHBRJEF-UHFFFAOYSA-N 409.457 5.507 0 1 HKAF Cc1ccn2c([C@H]3NCCc4ccc(F)c(C)c43)c(-c3ccc(F)c(F)c3)nc2c1 962373766 JBFKJOOVUNDOBS-QHCPKHFHSA-N 407.439 5.271 0 1 HKAF COc1ccc2c(c1OC)[C@@H](c1c(Cl)c(C=O)cc3ccccc13)N(C)[C@H](C)C2 962573421 RVHDMFGJVPPBIX-FATZIPQQSA-N 409.913 5.289 0 1 HKAF C[C@]1(CSc2nnc3sc4ccccc4n23)c2ccc(F)cc2C[C@H]2CCCN21 963099477 HSJGIJBBAXDJNB-ZHRRBRCNSA-N 424.570 5.111 0 1 HKAF C[C@@]1(c2cccc(-c3cccc(C(=O)O)c3)c2)NCCc2c(Cl)cc(Cl)cc21 963122842 ORDOPMGDIQCJMI-QHCPKHFHSA-N 412.316 5.768 0 1 HKAF CN1CCc2c(Br)cccc2[C@]1(c1cccc(Cl)c1)C1CCCC1 963279668 IMLJTEGEGULHNV-OAQYLSRUSA-N 404.779 6.024 0 1 HKAF CCCc1[nH]nc2c1[C@@H](c1ccc(SC)cc1)c1c(nc3c(c1N)CCCC3)O2 1772569676 AQRLJJMSRUKJPW-GOSISDBHSA-N 406.555 5.226 0 1 HKAF COc1cc(Cl)c2nc(N3CCc4c([nH]c5ccc(Cl)cc45)C3)sc2c1 1857574842 AISUOXWFOAOZNO-UHFFFAOYSA-N 404.322 5.656 0 1 HKAF O[C@@H](CNc1ccc2c(c1)-c1ccccc1C2)COc1cccc2[nH]c3ccccc3c12 1857632849 NYZAWQQSTKLLKI-NRFANRHFSA-N 420.512 5.744 0 1 HKAF C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@@]23Oc2ccc(OC(=S)N(C)C)cc2C[C@@]13C 2356335834 DRTPUUQCYHYPIT-KJLXUBTRSA-N 401.616 5.848 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356458972 XHRPJMCAEXVFFM-LJOHCADHSA-N 410.686 8.153 0 1 HKAF CC(C)=CCc1c(C)ccc([C@@H]2COc3c(CC=C(C)C)c(O)cc(O)c3C2=O)c1O 2356563062 OXHMSAWRYKJSJR-FQEVSTJZSA-N 422.521 5.488 0 1 HKAF Cc1nc2ccccc2n1[C@@H](C)c1nc2ccccc2n1CC(=O)c1ccsc1 95599976 COJQONCIDJYRCY-HNNXBMFYSA-N 400.507 5.248 0 3 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C 13543517 ZBFPGLKEWSMWSG-BQNIITSRSA-N 424.713 8.255 0 1 HKAF c1ccc(CN2CCN(c3nc4sc(-c5ccccc5)cc4n4cccc34)CC2)cc1 13755985 UJCWXFPFFHIOCY-UHFFFAOYSA-N 424.573 5.538 0 1 HKAF CC(C)c1cc2c(cc1C(C)C)N(C)c1ccccc1N=C2c1ccc(C(=O)O)cc1 27417836 HJHDLNVWCMCQOO-UHFFFAOYSA-N 412.533 6.882 0 1 HKAF CC(C)N1C[C@H](C(=O)OC2CCCCC2)C[C@H]2c3cccc4c3c(cn4C(C)C)C[C@@H]21 27518604 FOLARUZJASFCGU-PBXXJUDPSA-N 422.613 5.837 0 1 HKAF Cc1c(OCc2ccccc2Sc2ccncc2)ccc(C(=O)CC(C)C)c1O 28347108 WHIFAHNILXSDGV-UHFFFAOYSA-N 407.535 6.055 0 1 HKAF FC(F)(F)c1cc(-c2ccc(Cl)cc2)nn1-c1ccnc2cc(Cl)ccc12 28568192 ZWEIFKQBGQYYSR-UHFFFAOYSA-N 408.210 6.413 0 1 HKAF Clc1ccc([C@H]2CO[C@](Cn3ccnc3)(c3ccccc3Cl)O2)c(Cl)c1 28768261 TWSPNUPQJYVQMY-MOPGFXCFSA-N 409.700 5.484 0 1 HKAF CCC[C@@H](CC)C(=O)Nc1ccc2c(c1)c(Cc1ccc(C(=O)O)cc1OC)cn2C 29482022 WIENUJFEQASGOK-MRXNPFEDSA-N 422.525 5.241 0 1 HKAF CN(C)c1ccc(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)c3ccccc32)cc1 40394319 MTDHRYOBSFKHHT-NDEPHWFRSA-N 418.540 6.093 0 1 HKAF O=C(c1ccccc1)c1ccc2[nH]c(C3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 40951142 ZCLQGJGUMGWVKM-UHFFFAOYSA-N 422.484 5.517 0 1 HKAF O=C(Nc1ccc(Oc2ccccc2)cc1)N[C@@H](CN1CCCC1)c1ccccc1 45302969 GQVRUNDQIIHKDE-DEOSSOPVSA-N 401.510 5.438 0 1 HKAF C[C@@](O)(c1ccccn1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C 45317541 GZRLYBKRWQKXFO-TUSQITKMSA-N 403.501 5.195 0 1 HKAF Fc1ccc2nc(-c3cccc(-c4ccc(CNCc5ccccc5)cc4)c3)[nH]c2c1 45339512 AVRSHGNNPTYFCY-UHFFFAOYSA-N 407.492 6.326 0 1 HKAF CCCc1cc(=O)oc2c1ccc1oc(C(=O)c3ccccc3)c(-c3ccccc3)c12 45373059 AFQWTDIHVYYUOB-UHFFFAOYSA-N 408.453 6.390 0 1 HKAF C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1cccc(Cl)c1 49045526 DBRAEKJTQXKQQT-HOYKHHGWSA-N 411.973 5.543 0 1 HKAF CC(C)c1nc(Nc2cccc3c2C[C@@H](O)CC3)oc1-c1ccc(C(F)(F)F)cc1 53314172 LCTMCXQKUVJCME-KRWDZBQOSA-N 416.443 6.077 0 1 HKAF Cc1ccccc1OCc1ccccc1-c1nnc(-c2cccc(Br)c2)o1 64447101 OQBDSVLNJLGEHK-UHFFFAOYSA-N 421.294 6.054 0 1 HKAF CSc1nc(NCc2ccccc2Cl)c2cnn(C[C@@H](C)c3ccccc3)c2n1 72123194 LZNGDDGHDNTMEN-OAHLLOKOSA-N 423.973 5.617 0 1 HKAF CCCN(CCC)c1cccc2nc(-c3c(OC)cc(COC)cc3OC)c(C)cc12 84710782 DZYSVTXZFWIZMG-UHFFFAOYSA-N 422.569 6.000 0 1 HKAF CC1=C(CC/C(C)=C/CC/C(C)=C/CCC2=CC(=O)O[C@H]2O)C(C)(C)CC[C@@H]1O 85998102 HIRZCXOPFLDJON-QKRKMFONSA-N 402.575 5.519 0 1 HKAF Cc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1NC(=O)c1ccccc1 95563777 NNYTWEYTMUOZRD-UHFFFAOYSA-N 414.292 6.198 0 1 HKAF Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccccc1-c1ccccc1 95585817 MZVREPWSMGHTMP-UHFFFAOYSA-N 423.519 5.107 0 1 HKAF O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1O 95595706 WMHWHQGHQKHNKQ-UHFFFAOYSA-N 418.120 5.989 0 1 HKAF O=C(C1CC1)N(Cc1cccnc1)c1cc(F)cc(-c2nc3ccccc3s2)c1 96937910 XWOSNQDOEDQYOA-UHFFFAOYSA-N 403.482 5.441 0 1 HKAF O=C1CS[C@@H](c2cccc3ccccc23)N1c1nnc2c3ccccc3nc-2s1 98083912 KFXFJPGGVXPEHI-NRFANRHFSA-N 414.515 5.123 0 1 HKAF Fc1cccc(F)c1[C@@H]1CC(c2ccccc2)=NN1c1nc(-c2ccccc2)cs1 98084614 NVHYWKUOZQYRKY-QFIPXVFZSA-N 417.484 6.444 0 1 HKAF Cc1c(COc2ccc(Cl)cc2)oc2cccc(OCCNCc3cccnc3)c12 98084825 WCUBFNYFOROWGC-UHFFFAOYSA-N 422.912 5.537 0 1 HKAF Nc1cc(C(F)(F)F)c(Cl)c(N)c1Nc1ncc(C(F)(F)F)cc1Cl 103284028 BQSFNWUOCXDPDU-UHFFFAOYSA-N 405.129 5.334 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913640 HWOOALPDOJHOPO-OKMRZDKFSA-N 402.663 6.648 0 1 HKAF endogenous,in-man Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2cccc(N(C)C)c2)n1 141934195 RBLRPPZBVGYIIG-QGZVFWFLSA-N 412.541 5.092 0 1 HKAF CO[C@@H]1OCC2=CC[C@@H]3[C@@](C)([C@H]21)[C@H](O)C[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@]13C 169354844 BIJAKZXAJWXIHK-LDHPQVEHSA-N 402.619 5.571 0 1 HKAF COc1cccc(N2C(=O)[C@H]3C[C@@H](CC(C)(C)C)c4c([nH]c5ccccc45)[C@@H]3C2=O)c1 195476263 QRWXHCBPNZPYER-WQFQCULDSA-N 416.521 5.373 0 1 HKAF Clc1ccccc1Nc1ncc(Br)c(Nc2ccccc2Cl)n1 203004038 WGYFAPWGCSEGDN-UHFFFAOYSA-N 410.102 6.033 0 1 HKAF Cn1cc(-c2cccc3cnc(Nc4ccc(-c5cncn5C)cc4Cl)cc23)cn1 207611036 BIJLZOHDIGNSQC-UHFFFAOYSA-N 414.900 5.433 0 1 HKAF C[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)[C@H](C)CO 255214594 HCQKGAYOZHKURE-NPVWMFHMSA-N 412.658 6.591 0 1 HKAF CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4[C@H](CC[C@@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@]12C 255287021 ZHDRLFGZQZCZKX-XFNCJXBLSA-N 410.730 9.054 0 1 HKAF CN1[C@H]2CC[C@H]1[C@@H](CNc1ccc(Br)nc1)[C@@H](c1ccc(Cl)cc1)C2 261086616 CSQWTWVZSNGFRN-RDGPPVDQSA-N 420.782 5.176 0 1 HKAF Cc1ccc(COc2cc(/C=C/C(=O)O)ccc2OC(=O)CCc2ccccc2)cc1 299831411 YZFVEHHUUXDWQB-NTCAYCPXSA-N 416.473 5.210 0 1 HKAF O=Cc1ccc(OCc2occc2-c2nc3ccc(F)c(Br)c3[nH]2)cc1 586901761 ZRLSLUJVHREXJT-UHFFFAOYSA-N 415.218 5.116 0 1 HKAF CCOc1cc(/C=C\c2nc3cnc4ccccc4c3[nH]2)cc(Br)c1OC 586978352 PIUNIYWXHSDAFG-HJWRWDBZSA-N 424.298 5.451 0 1 HKAF Cc1c(Br)ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 587005941 AUDLGQSIKQHXDL-UHFFFAOYSA-N 405.093 5.316 0 1 HKAF CNc1cc(Cl)ccc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587066368 AXVZNYHLUIQIOJ-UHFFFAOYSA-N 404.617 5.706 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@H](N1C[C@@H](C)C[C@H](C)C1)CCC4)-c1ccccc1C2=O 587097400 OPRZPFHRRDWHQZ-HKARXFIJSA-N 410.561 6.110 0 1 HKAF C[C@H](c1ccc(N(C)C)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 587197020 GPMXSZLLLIRMBO-SNVBAGLBSA-N 423.152 5.306 0 1 HKAF Cc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc12 587357075 SFIQGECCYDTAPC-VPUSJEBWSA-N 412.460 6.267 0 1 HKAF CSc1ccc2c(c1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587372588 FKVVWMNKIOXOFW-ZCYQVOJMSA-N 420.505 5.844 0 1 HKAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccccc1Cl 587379970 ZJMAOBUQQFSZBR-JOCHJYFZSA-N 423.896 5.525 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(Cl)ccc1N)(c1c(F)cccc1F)O2 587382695 TXXYJEVBJIUSSS-QFIPXVFZSA-N 414.839 5.000 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC(=O)c3csc(C)c3)cc1)O2 587412530 ZQYKOSQIBDJHJI-QHCPKHFHSA-N 406.507 5.080 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccc4C(F)(F)F)cc1)[C@@H](C2)C3=O 587420805 MALJIYJHKRGHMV-MBSDFSHPSA-N 410.391 5.870 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(CCc1ccc(OCC=C(C)C)cc1)CC2=O 587476300 BBQKUIXWZTWSDS-AREMUKBSSA-N 408.538 6.046 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@](CC)(CC(=O)O)Cc2ccccc21 587491362 ULOUUKICDRHJHO-DQEYMECFSA-N 408.494 5.023 0 1 HKAF CCCC[C@]1(c2ccc(OC(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502614 FUCQGLMUIGSYTB-HSZRJFAPSA-N 418.455 6.515 0 1 HKAF CC(C)(C)c1nn(-c2ccccc2)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513490 AKXCCFJAEDLMFS-QHCPKHFHSA-N 400.522 5.755 0 1 HKAF CC(=O)c1ccc(Cc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 587521210 DPDNNYULLVLQQI-LJAQVGFWSA-N 424.540 6.239 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1c2ccc(Cl)c1Cl 587551551 GSLYUVBQUTWPJG-PGRDOPGGSA-N 413.256 5.502 0 1 HKAF CSc1scc2c1[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609864 DVFVKZCBCPFBLJ-PGRDOPGGSA-N 410.516 5.369 0 1 HKAF COC(=O)C(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2ccc(F)c(Cl)c12 587628934 VPATZNPBKLXMSP-UHFFFAOYSA-N 400.620 5.290 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2C(F)(F)F)N1 587713107 RNEGBMCGBRXYEH-ZKANADHPSA-N 406.192 5.370 0 1 HKAF COc1ccc([C@@]2(C(C)(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587724097 DSQWORNZJIUPKG-XUSGNXJCSA-N 424.329 5.560 0 1 HKAF Oc1c(Br)ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587784889 VQVSBHJFVZIGEV-MDWZMJQESA-N 421.294 5.780 0 1 HKAF CCc1ccc(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587795283 OBANQTZUFSFJJO-XUSGNXJCSA-N 414.322 5.164 0 1 HKAF COc1ccccc1C[C@@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587804891 CYZNSHVUKFEDRC-SZNDQCEHSA-N 406.339 5.225 0 1 HKAF COc1ccc([C@H](C)[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587810454 XLKDTLRBIRBKPO-OYMPBJRDSA-N 422.338 5.159 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2)(C2CC2)N1 587815521 NIINRMHCUHGOCC-LRTDBIEQSA-N 402.307 5.001 0 1 HKAF CCCCC[C@H](C)CNC(=S)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587863500 LYTSGEPSQOTRHQ-AWEZNQCLSA-N 413.509 5.517 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc(Cc5cc(C)ccc5C)[nH]c4c3)o2)cc1 587959381 QTRJOUWIULAWQY-UHFFFAOYSA-N 410.477 5.496 0 1 HKAF CC[N+](CC)=c1sc2c(s1)[C@H](c1ccc(Cl)cc1)Oc1ccc(Cl)cc1-2 653875506 BNOXBBORQRCKNS-KRWDZBQOSA-N 423.410 6.077 0 1 HKAF Cc1nc2scc(C3CC3)n2c1[C@H]1c2ccsc2CCN1Cc1cccn1C 962372617 HIEOMTJESYTYGZ-OAQYLSRUSA-N 408.596 5.129 0 1 HKAF Cc1cc(C)cc(Oc2ccccc2[C@H]2NCCc3cc(-c4ccccc4)ccc32)c1 962663902 HDLSNGFXIGXXJY-LJAQVGFWSA-N 405.541 6.998 0 1 HKAF Cc1ccc(-c2ccc([C@H]3N[C@@H](C(=O)O)Cc4c3cc(F)cc4C(F)(F)F)o2)cc1 962693724 GHONJBXPFHRDKW-XLIONFOSSA-N 419.374 5.101 0 1 HKAF COc1ccc2c(c1)[C@H](c1ccc(-c3ccc4c(c3)OCCCO4)cc1)N[C@H]1CC[C@@H]21 962991691 DZGQWOGLXXNKDP-DPPGTGKWSA-N 413.517 5.462 0 1 HKAF Fc1ccc(-c2nc([C@H]3c4ccsc4CCN3Cc3cccnc3)cs2)cc1 962998833 QMDBAONJJAOEMX-OAQYLSRUSA-N 407.539 5.553 0 1 HKAF CC(C)(COc1ccn2c(CC3CC3)nnc2c1C(F)(F)F)c1ccc(Cl)cc1 1772573134 UEJDZDZICOULPN-UHFFFAOYSA-N 423.866 5.711 0 1 HKAF O=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1cnc(-c2ccccc2)[nH]1 1772635221 YFIBEKZZXUQKCM-UHFFFAOYSA-N 412.518 5.076 0 1 HKAF C[C@@H]1CC[C@@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 1857622332 WQLVFSAGQJTQCK-MOBOQWJNSA-N 414.630 5.714 0 1 HKAF CC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C 1857757621 WEYSOHXXGDQSKO-OEXDEUHUSA-N 416.602 6.142 0 1 HKAF Nc1oc2c(-c3cccc4ccccc34)nccc2c1Nc1ccc(F)c(Cl)c1 1857766289 OLCYGHMDHCSRPP-UHFFFAOYSA-N 403.844 6.766 0 1 HKAF COc1ccc(-c2csc(N3COc4ccc5cc(OC)ccc5c4C3)n2)cc1 1857772087 DBAPPFSRHNOIIP-UHFFFAOYSA-N 404.491 5.337 0 1 HKAF CC1=C[C@H](CNCc2ccco2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 2356300734 NTZNHDRFYLVBMV-NNMXDRDESA-N 423.532 5.656 0 1 HKAF C[C@@H]1CN=C([C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)CC1=O 2356660762 SSNUZXQLURLLKP-VOPYDXRBSA-N 411.630 5.612 0 1 HKAF CC(C)CCNC(=O)c1c(C(C)(C)C)noc1-c1cc(Br)ccc1F 2483793 AMZSUMDLMZKIIK-UHFFFAOYSA-N 411.315 5.317 0 1 HKAF COc1cc(O)c(-c2ccc(OC)c3c(OC)cc(C)cc23)c2c1[C@H](C)N[C@@H](C)C2 13359110 XVHCBOXBWSMNHG-GJZGRUSLSA-N 407.510 5.142 0 1 HKAF biogenic COc1cccc(C(=O)N2c3ccc(C)cc3[C@@H](Nc3ccc(C)cc3)C[C@H]2C)c1 13490222 XZHPYHJFZUUHKF-DVECYGJZSA-N 400.522 5.904 0 1 HKAF CC(C)c1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1 13782340 ALUYYYQSLDDYOM-UHFFFAOYSA-N 420.384 5.154 0 1 HKAF CCC[C@@H](CC(=O)O)n1ccc2cc(CCCc3ccc4c(n3)NCCC4)ccc21 28473180 VSFAIECXEAWEDM-QFIPXVFZSA-N 405.542 5.386 0 1 HKAF CC[C@]1(C[C@@](O)(Cc2ccnc3ccccc23)C(F)(F)F)CCCc2ccccc21 28826159 AKRFUARLUXZAGZ-RPWUZVMVSA-N 413.483 6.145 0 1 HKAF O=C(N[C@H](Cc1ccc(O)cc1)c1cccc(O)c1)C(c1ccccc1)c1ccccc1 29404086 GFRBPPBSQYZLFG-AREMUKBSSA-N 423.512 5.330 0 1 HKAF O=C(O)Cc1sc(C(c2ccccc2)c2ccccc2)nc1-c1cccc(F)c1 35932673 PVJXZPBQSMAWDT-UHFFFAOYSA-N 403.478 5.757 0 1 HKAF CC(C)CC(=O)OC[C@H]1C[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2CC[C@@H]1C3 36088395 ZOILZTWSQHWPGH-WFTXACDVSA-N 404.591 5.689 0 1 HKAF in-vivo CCCCCC[C@@H](O)C/C=C\CCCCCCCc1nc2cc(Cl)ccc2[nH]1 40952343 QOACPAKHUARRSL-ZDKIGPTLSA-N 405.026 7.377 0 1 HKAF CCN(C[C@H](C)O)C(=O)c1ccc(-c2ccc(-c3nc4cccc(C)c4[nH]3)cc2)cc1 45167055 HUGAWUYCWNVOLL-SFHVURJKSA-N 413.521 5.048 0 1 HKAF CC(C)C[C@@H]1CSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1 49049440 AAXLOBRJGXXFQF-GOSISDBHSA-N 410.612 5.880 0 1 HKAF Cc1nc2nc(-c3cccc(Cl)c3)cn2c(-c2ccc(Cl)cc2Cl)c1CN 58534547 VNOFZYBBBYXZEJ-UHFFFAOYSA-N 417.727 5.791 0 1 HKAF COc1ccccc1CCNc1cncc(Oc2ccc3oc4ccccc4c3c2)n1 82068547 YLSPEEPHCBWFAA-UHFFFAOYSA-N 411.461 5.832 0 1 HKAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc(F)cc2)C1 82139578 CGEPOCMFVSFJKW-ROUUACIJSA-N 424.564 5.678 0 1 HKAF Cc1cccc(-c2nc(N[C@@H]3CCCC[C@@H]3C)ncc2-c2nc3ccccc3s2)c1 82167470 GDTSNTCNNRGFBK-FXAWDEMLSA-N 414.578 6.719 0 1 HKAF Cc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)o1 82175359 MWVZFHQXDFQCKW-ZDUSMZPESA-N 406.505 5.729 0 1 HKAF CCCCCn1cc(C(=O)NC23CC4C[C@](C)(C2)C[C@](C)(C4)C3)c(=O)c2ncccc21 101152516 CTDUCEQBFQKBBS-SOHPKTPWSA-N 421.585 5.066 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118928163 DDJMOMHMVFXEQF-BYHPMSKYSA-N 400.691 7.923 0 1 HKAF Nc1nc2ccc(C(F)(F)F)cc2n1C[C@H](O)c1ccc(C(F)(F)F)cc1Cl 169351104 KAHGRTFKEJELQL-AWEZNQCLSA-N 423.744 5.043 0 1 HKAF CC[C@H](C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 169711142 UGPMJKXBWQUZNC-JAXLGGSGSA-N 410.602 5.723 0 1 HKAF CC1(C)NC[C@@H](c2ccc(Cl)cc2)c2ccc(-c3cnc(C(F)(F)F)cn3)cc21 204520972 HZPNLSFQNAKABD-KRWDZBQOSA-N 417.862 5.786 0 1 HKAF Clc1cnc(NCc2ccccc2)cc1-c1ccnc2[nH]c(C3CCNCC3)cc12 220144033 NJCLIBSGAOCZBH-UHFFFAOYSA-N 417.944 5.357 0 1 HKAF C/C=C(\C)C(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C=C[C@@](C)(CC[C@H]23)C4)[C@]1(C)C(=O)OC 238756533 SGZWGZMHSKQVTP-AIVUZNQTSA-N 414.586 5.616 0 1 HKAF CCCCCCNc1cccc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)n1 299836209 MGWUDWFKGCYIEP-UHFFFAOYSA-N 422.960 7.038 0 1 HKAF COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)C(C)(C)CC(C)(C)S3)cc1OC 299856200 CIRGGBBVGASCAC-XYOKQWHBSA-N 411.567 5.908 0 1 HKAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 586916393 YFSKJAKZXYBBKP-UHFFFAOYSA-N 416.330 5.489 0 1 HKAF CCc1ccc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1Br 586977713 QTBIQGATECEJHA-UHFFFAOYSA-N 407.315 5.386 0 1 HKAF Cc1cc(Br)ccc1OCc1nc2ccc(F)c(Br)c2[nH]1 586980684 DMCYVQKFRWPAGL-UHFFFAOYSA-N 414.072 5.114 0 1 HKAF CCOc1cc2oc(=O)c(-c3nc4c(C)c(C)ccc4[nH]3)cc2cc1Br 586998839 PVXGPEFQUUKPCY-UHFFFAOYSA-N 413.271 5.114 0 1 HKAF COc1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cc1F 587002537 WEGPWUHUECXOQW-UHFFFAOYSA-N 401.235 5.205 0 1 HKAF CC(=O)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 587017251 KHFOEDWHYLOBSI-UHFFFAOYSA-N 418.341 5.304 0 1 HKAF COc1cc(Cl)ccc1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587066601 OIQDIONKWGYDSF-UHFFFAOYSA-N 409.711 5.689 0 1 HKAF O=C(O)c1cc(F)cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 587068758 YHUTVQMTVZHMAM-UHFFFAOYSA-N 422.803 5.166 0 1 HKAF Fc1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1Br 587092675 YQRVMJVTDSOBPV-UHFFFAOYSA-N 406.202 5.181 0 1 HKAF Cc1ccc2c(c1)CCCN2[C@@H](C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096655 JFKNGWBQQCWPQJ-IBGZPJMESA-N 418.540 6.577 0 1 HKAF CCCCOc1cc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2cc1Br 587112550 NZOFGZJJHKUHLK-UHFFFAOYSA-N 416.241 5.529 0 1 HKAF COc1cc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c2cc1OC 587121410 BKYHMLWMIRTAIB-UHFFFAOYSA-N 403.360 5.002 0 1 HKAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(C(=O)c3ccccc3)ccc2[nH]1 587147461 OEMZJXKYKVFZED-UHFFFAOYSA-N 414.415 5.140 0 1 HKAF CC(C)N(C(=O)COc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1)c1ccccc1 587213444 SHZCHWMNOZNWBE-UHFFFAOYSA-N 422.528 5.821 0 1 HKAF COc1cccc(-c2cc(-c3ncc(F)cc3Cl)nc3c2oc2ccccc23)c1 587360702 RMKXOLUGLVYWNT-UHFFFAOYSA-N 404.828 6.511 0 1 HKAF COc1cccc(-c2cc(-c3cccc4ccsc34)nc3c2oc2ccccc23)c1 587366192 KVKGULGPHDCRJI-UHFFFAOYSA-N 407.494 7.538 0 1 HKAF COc1ccc(C)cc1-c1[nH]c2ccccc2c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587396548 LSYQTEGXDZFDQZ-QHCPKHFHSA-N 412.489 5.749 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc3cccc(Br)c3o1)CC2=O 587457744 CDPQKKGNIKHVHU-OAQYLSRUSA-N 415.283 5.734 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-c3ccc(C)c(F)c3)c1)CC2=O 587466982 OQBKPWGPJYIVPH-SANMLTNESA-N 404.481 6.340 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccnc1Sc1ccc(C)cc1)CC2=O 587491731 NASNGCNCOWHQIK-QFIPXVFZSA-N 405.519 5.906 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(-c4ccc(C)cc4)sc31)CC2=O 587496744 TYEZOLMNLPAGBT-VWLOTQADSA-N 419.546 5.974 0 1 HKAF CC(C)(C)[C@]1(COC(=O)c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587507287 VOGAUNJMIUEMMP-RUZDIDTESA-N 410.485 5.312 0 1 HKAF COc1ccccc1[C@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587509666 VWWAYTBPBQOMGC-AREMUKBSSA-N 418.920 6.136 0 1 HKAF Cc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540126 KSYLVLZEJSYSFX-RXVVDRJESA-N 411.251 5.166 0 1 HKAF Cc1c(Cl)ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[nH]c12 587544549 FCGDIRSUJFYJPN-XXBNENTESA-N 405.837 5.538 0 1 HKAF Cc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603729 RFELUEIOTGDWHV-IGKIAQTJSA-N 408.453 5.606 0 1 HKAF Cc1[nH]c2cc(Cl)c(F)cc2c1CN(Cc1ccccc1)C(=O)OC(C)(C)C 587630787 PLPYHNVFKKXJLJ-UHFFFAOYSA-N 402.897 6.206 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC(F)F)cc3)c(C(=O)C(F)(F)F)c2c1 587639790 CREIPYLWYRVDJA-NSHDSACASA-N 411.370 6.695 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ncc3ccccc23)N1 587706657 RNUWZBHQVBXVKV-MGNBDDOMSA-N 405.698 5.413 0 1 HKAF Cc1cccc(C)c1-n1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587755292 ONSKWDLPLGIRKE-QVKFZJNVSA-N 413.334 5.619 0 1 HKAF CCOc1ccc(OCC)c(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)c1 587777545 ANAVDGJROUCJQG-UHFFFAOYSA-N 419.319 5.577 0 1 HKAF Cc1onc(-c2ccccc2)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587790593 CUPYVMJDIRBUFE-YBTHPKLGSA-N 401.279 5.175 0 1 HKAF CCCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587797103 VRCIUUBERKYHIO-ZSEKCTLFSA-N 422.338 5.399 0 1 HKAF CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC 587799708 BXGBVKAQSSMPCB-YEJXKQKISA-N 422.338 5.183 0 1 HKAF CCOc1cc(CC[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587801657 MYYZTYIBOYKZPV-ZSEKCTLFSA-N 422.338 5.075 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccc(O)cc3)c2)N1 587833123 LZGTXQLZQJTLDH-XMHCIUCPSA-N 412.302 5.584 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cc3ccccc3)s2)N1 587849407 UFORVCULLVHGNO-LRTDBIEQSA-N 416.359 5.864 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C(=O)OC)ccc1F 587854015 DOXMKAOLPIPPFX-UHFFFAOYSA-N 409.244 5.171 0 1 HKAF COc1ccc2cc([C@@H](C)c3nc4cc(Cl)cc(Br)c4[nH]3)ccc2c1 587936626 WODVYORATMFMPU-LLVKDONJSA-N 415.718 6.292 0 1 HKAF Cc1ccccc1-c1ccc(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 587960036 VDMZNLBIBIPELJ-UHFFFAOYSA-N 406.554 7.280 0 1 HKAF COc1ccc2c(c1OC)[C@](Cc1ccccc1Cl)(c1ccccc1)N(C)[C@H](C)C2 962636827 NMADXCALGLEAEN-DWXRJYCRSA-N 421.968 5.720 0 1 HKAF Cc1ccc([C@@]2(CCc3cccc(F)c3)NCCc3c2c(C(C)C)nn3C)c(C)c1 962917548 ZWLIFXBBOOGZMQ-AREMUKBSSA-N 405.561 5.322 0 1 HKAF CC(C)(C)OC(=O)NCC1CCC([C@@H]2c3ccc(F)cc3C[C@H]3CCCN32)CC1 963105041 IRSURYRKAOELSE-VYAAAYNJSA-N 402.554 5.218 0 1 HKAF Cc1ccc([C@@]2(c3cnccc3C)c3cccc(Br)c3CCN2C)cc1C 963288570 DQFPIYMQSGPEMN-DEOSSOPVSA-N 421.382 5.549 0 1 HKAF COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCN(Cc3cccc(Cl)c3)CC1)C2 1772653265 CSYVGFFWWUUSDU-IBGZPJMESA-N 413.945 5.015 0 1 HKAF CCOP(=O)(OCC)[C@H](N(O[C@@H](C)c1cn(C)cn1)C(C)(C)C)C(C)(C)C 1857539353 JPGPKRXXXWYEON-RDJZCZTQSA-N 403.504 5.152 0 1 HKAF CCCCCc1ccc(-c2cn(Cc3cc(-c4ccc5c(c4)OCO5)no3)nn2)cc1 1857651888 QADFYTPEBWQSGB-UHFFFAOYSA-N 416.481 5.110 0 1 HKAF CN[C@H]1CC[C@]23C[C@@]24CC[C@]2(C)[C@@H]5[C@H](C)N(C)CO[C@@H]5C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C 2356425183 IBBJBVLTEQHUQV-SPTGXSKESA-N 414.678 5.300 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 2356475674 LRELJMKLEOTFPQ-NJIPEJGSSA-N 412.702 7.801 0 1 HKAF CC(C)[C@@H](O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356630259 IWXJGKGAPXGSCN-JCLHYDFLSA-N 418.662 5.330 0 1 HKAF CC(=O)O[C@@H]1CC[C@@H]2C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]32)C1 2356672213 ANZQHGMZAPLDMI-IFPUIFFBSA-N 414.674 7.569 0 1 HKAF CC[C@@H](C)Sc1ccc(-c2nc3ccccn3c2NCc2ccccc2)cc1OC 61959506 STNYMXFMZPRGJI-GOSISDBHSA-N 417.578 6.513 0 3 HKAF O=C(OCc1c(-c2ccccc2)ncc2ccccc12)c1ccc(C(F)(F)F)cc1 61968960 MBCAELRTHRTUDA-UHFFFAOYSA-N 407.391 6.278 0 3 HKAF CCCc1cc2c(oc(=O)n2C(C)C)c(CCC)c1O[C@H](C(=O)O)c1ccccc1 12358595 TYDPUTFONONBLE-NRFANRHFSA-N 411.498 5.285 0 1 HKAF O=C(Nc1ccc(Cl)cc1)Nc1cnc2ccc(Cl)cc2c1-c1ccccc1 13737631 JRRRUQCJNLFGTM-UHFFFAOYSA-N 408.288 6.853 0 1 HKAF O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1Cc1ccc2ccccc2c1 28241235 DJLHFAWVRFCKPO-DEOSSOPVSA-N 410.904 5.894 0 1 HKAF CC(C)(C)c1ccc(NC(=O)c2csc(Cc3c(Cl)cccc3Cl)n2)cc1 28530551 LDYGVEHRCVNLER-UHFFFAOYSA-N 419.377 6.591 0 1 HKAF Cc1[nH]c(C)c(-c2ccc(-c3ccc(OCC(F)(F)F)cc3)nc2)c(=O)c1Cl 45211314 SRODXJSLBYYOGG-UHFFFAOYSA-N 408.807 5.315 0 1 HKAF Cc1cccc2nc(-c3cccc(-c4ccc(NC(=O)c5cccnc5)cc4)c3)[nH]c12 45230622 QZFMRMRUAPWPJP-UHFFFAOYSA-N 404.473 5.853 0 1 HKAF Cc1cc(C(F)(F)F)c2nc(C3(c4ccc(Cl)cc4)CC3)c(O)c(C(=O)O)c2c1 58564040 OFXKYYRRMSAALR-UHFFFAOYSA-N 421.802 5.699 0 1 HKAF CCOc1ccc(/C=C/c2cc(/C=C/c3ccc(OCC)c(OC)c3)on2)cc1OC 64436379 DGMGLUKIDOLVFX-MKICQXMISA-N 421.493 5.830 0 1 HKAF C[C@H](C(=O)O)c1ccc(C[C@H]2CCCC2=O)c(-c2ccc(OC(F)(F)F)cc2)c1 72105288 DTDDOMGQKGSJSR-SUMWQHHRSA-N 406.400 5.352 0 1 HKAF COc1ccc(F)cc1CNCCCNc1ccnc2cc(-c3ccccc3)ccc12 72124763 AWUHELFUWPFLMF-UHFFFAOYSA-N 415.512 5.641 0 1 HKAF CC1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@]5(C)CC[C@]43C)[C@@H]2[C@@H]1C 95918882 DZINXMCMPUDAJI-FUNMNXKLSA-N 424.757 9.444 0 1 HKAF biogenic,in-vitro Cc1ccccc1CSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(O)CCCC1=N2 103894393 KIHNFMWPCBALNG-OAQYLSRUSA-N 420.513 5.689 0 1 HKAF CC(C)[C@@H](C)[C@H](C)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118923984 KTGGCSVZUGUIFS-OMRRTTHRSA-N 416.734 7.961 0 1 HKAF C[C@H]1C[C@@H](c2ccccc2-c2ccccc2)N(Cc2cccc(-c3ccccc3)c2)C1=O 167073676 VRFHKAPZPRAWKA-ZTOMLWHTSA-N 417.552 7.130 0 1 HKAF COc1ccc2cc3n(cc-2/c1=N/[C@H](C)c1ccccc1)CCc1cc2c(cc1-3)OCO2 169725123 FYJTVIQVVVTNEN-HCJTVDPMSA-N 424.500 5.215 0 1 HKAF O=C(O)/C=C/c1ccc(Oc2c(-c3ccc(F)cc3)sc3cc(O)ccc23)cc1 221229557 PABHIXCWEYDYLO-KGVSQERTSA-N 406.434 6.303 0 1 HKAF C[C@@H](NCc1ccccc1)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 299811956 HNPFUHUXZIRHMG-QTJTVNDOSA-N 407.642 6.105 0 1 HKAF COc1cc(Cl)c(CN2CCC(c3c[nH]c4ccccc34)CC2)c(Cl)c1OC 473083616 OSQIBYLJJDEGMY-UHFFFAOYSA-N 419.352 5.872 0 1 HKAF COc1ccc2nc(-c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)[nH]c2c1 473116256 WFMLILDQUKATJS-UHFFFAOYSA-N 400.869 5.745 0 1 HKAF Cc1cc(Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)ccc1Br 586977931 VZSJHAYKMLEGQS-UHFFFAOYSA-N 407.315 5.056 0 1 HKAF COc1cc(OC)c2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc2c1 587048759 FHIDONGQPMEKTF-UHFFFAOYSA-N 414.892 6.721 0 1 HKAF COC(=O)c1ccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2c1 587082044 FAUNKZXGVIXXJI-UHFFFAOYSA-N 413.864 5.885 0 1 HKAF CCOC(=O)[C@@H]1C[C@H](C(C)C)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587096328 CPXKMGNBJFNQNP-IIBYNOLFSA-N 413.517 5.620 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1CN(Cc2ccccc2)C[C@@H]1CC3 587106019 KBRCBVKGQDYUPI-YADARESESA-N 416.524 5.608 0 1 HKAF CC(C)(C)c1cccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12 587165934 IAEGUBXVHYSZJK-UHFFFAOYSA-N 404.514 5.967 0 1 HKAF COC(=O)c1cccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1 587364190 ZAVBCPOTURUPRC-UHFFFAOYSA-N 409.441 6.110 0 1 HKAF Cc1sc(N)c([C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587376255 PFOXYJPIMFZBTO-XUZZJYLKSA-N 423.509 5.456 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](CC)c1ccccc1)CC2=O 587489240 NRRLUCSIETYVKQ-YIXXDRMTSA-N 400.518 6.399 0 1 HKAF COc1ccc([C@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587503925 HKBCGALFNCXXNP-SANMLTNESA-N 418.920 6.136 0 1 HKAF COc1ccc(Br)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1F 587505240 LXURAHMJELEMRO-QGZVFWFLSA-N 405.263 5.182 0 1 HKAF CC(=O)c1ccc(-c2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 587523839 LYRKKDVOACQIHC-MUUNZHRXSA-N 410.513 6.316 0 1 HKAF CCCC[C@H](CC)Cc1cc2c(O)nc(O)nc2nc1CC[C@H](CC)CCCC 587561866 VTMIJHMXWLJLNF-MSOLQXFVSA-N 401.595 6.344 0 1 HKAF C[C@@]1(c2sccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614631 TXYLAFWKDLOSIK-DNVCBOLYSA-N 417.280 5.093 0 1 HKAF CC(C)(C)OC(=O)Nc1c(CCCCC2OCCO2)[nH]c2cc(Cl)c(F)cc12 587631860 XRRNFTLRGRDSFA-UHFFFAOYSA-N 412.889 5.393 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cccnc2Cl)N1 587702509 DNBVKBHXBDEUQX-VOJFVSQTSA-N 420.713 5.051 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2C(F)(F)F)N1 587710661 GWYNDKFXFILSDG-ZKANADHPSA-N 406.192 5.370 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCC(F)(F)F)c2)N1 587715977 ZACLQSXKLBVSJS-DYZYQPBXSA-N 418.228 5.153 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 587780326 PUZITBOVKWLXKL-UHFFFAOYSA-N 414.452 6.908 0 1 HKAF CC(C)COc1cc2nc(COC/C=C/c3ccccc3)[nH]c2cc1Br 587780923 MCGBSXJFRJHHCH-RMKNXTFCSA-N 415.331 5.590 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(C)(C)C)[nH]c3ccccc23)N1 587790123 HPIHDOOBPAXEPA-FKIZINRSSA-N 415.350 5.991 0 1 HKAF Fc1ccc2c(c1)-c1cc(n(-c3c(F)c(F)c(Br)c(F)c3F)n1)O2 587874296 TUHNNKKSKQODBH-UHFFFAOYSA-N 403.104 5.103 0 1 HKAF COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cncnc4[nH]3)CCCC(C)(C)[C@@H]1CC2 587931402 ILRHZEWMDIHTND-AVRWGWEMSA-N 420.557 5.249 0 1 HKAF Fc1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1Br 587950180 QCDFHXATUMUCCE-RAXLEYEMSA-N 409.258 6.427 0 1 HKAF CC[C@]1(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)CC(=O)c2ccccc2C1 587961022 PIXFEVMCTLZLQW-HXUWFJFHSA-N 406.835 6.003 0 1 HKAF CC[N+](CC)=c1sc2c(s1)[C@H](c1ccc(Cl)cc1)Oc1ccc(F)cc1-2 653893475 WAXOFMCUSZAYRQ-KRWDZBQOSA-N 406.955 5.563 0 1 HKAF O=C(O)c1ccc(-n2nc(Oc3c(Cl)cccc3Cl)c3cccnc32)cc1 1772580871 OCKJNZRTYUAEGA-UHFFFAOYSA-N 400.221 5.218 0 1 HKAF O=C(O)C[C@@H](c1cccc(-c2cccc(OCC(F)(F)F)c2)c1)c1nccs1 1772608611 MHJKONJGXPAUDA-KRWDZBQOSA-N 407.413 5.358 0 1 HKAF O[C@@H](c1cccnc1-c1cc(Cl)cc(Cl)c1)[C@H](c1cccnc1)c1ccccn1 1772627636 ZDWRNJFIXZYBEH-GGAORHGYSA-N 422.315 5.711 0 1 HKAF COc1cc(OC)c(NC(=O)NCCC2=CS[C@@H]3C[C@H](C)CC[C@H]23)cc1Cl 1857535945 PRIPWHITKPWISS-BBEGDGIKSA-N 410.967 5.304 0 1 HKAF CCN1Cc2cc(-c3c(C)nc4c(OCc5ccccc5C)cccn34)ccc2C1=O 1857536836 XXABYAOKHRWQPH-UHFFFAOYSA-N 411.505 5.173 0 1 HKAF C[C@H](C1=NC[C@@H](C)C(=O)C1)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356574591 FWDBSMPALVRXCP-AEZMNKBTSA-N 413.646 5.692 0 1 HKAF CCCC[C@H](C)C=CC=C(C)[C@@H]1OC(=O)[C@H](C=C(C)C=C[C@H](O)[C@H](C)C(C)=O)[C@@H]1C 2356674997 BRWLVJDGMFALOU-DRCQBYJMSA-N 416.602 5.581 0 1 HKAF COc1cc(OC)c(OC)cc1C=C[C@H]1CCC=C[C@H]1c1ccc(OC)c(OC)c1 2356683778 DPPUNDFHJDXSHJ-YLJYHZDGSA-N 410.510 5.493 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 2356798024 OTRRATLULZITAR-QGHYQLFZSA-N 414.674 6.382 0 1 HKAF CC[C@@H](CO)Oc1cc(NCc2ccccc2C(F)(F)F)c2ncn(C(C)C)c2c1 61948911 JMCYLPNDPFSBAF-INIZCTEOSA-N 421.463 5.398 0 3 HKAF COc1c(-c2ccc(OC)c3c(OC)cc(C)cc23)c(O)cc2c1[C@@H](C)N[C@H](C)C2 6484915 CGBBXIBLWODGSI-HUUCEWRRSA-N 407.510 5.142 0 1 HKAF CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@H](c1cc3c(cc1O)OC(C)(C)C=C3)O2 13411931 XPMCEWWRVJLSLM-OAQYLSRUSA-N 422.477 5.203 0 1 HKAF biogenic Cc1c(CCc2ccccc2)oc2cccc(OCCCNCc3cccnc3)c12 13438490 IFHSJXHCSOIBLN-UHFFFAOYSA-N 400.522 5.480 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 13448396 GIQHGRUKLUVHHK-GPZPEIJNSA-N 415.581 5.201 0 1 HKAF CC1(CNC(=O)N2CCCC[C@H]2C(=O)OCCCCc2ccccc2)CCCCC1 13755853 HJIZDANVSDOPSF-QFIPXVFZSA-N 414.590 5.087 0 1 HKAF Clc1ccc(CN2CCN(c3nc4ccsc4n4cccc34)CC2)cc1Cl 13755934 GRBRTCUKNIBBOG-UHFFFAOYSA-N 417.365 5.178 0 1 HKAF O=S(=O)(Nc1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1)c1ccccc1 28529225 UTUSAOPRQYIFFB-UHFFFAOYSA-N 410.278 5.292 0 1 HKAF C[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)c(Cl)c1Cl 28820606 PEHKKHCUXWCIQC-JTQLQIEISA-N 417.745 5.038 0 1 HKAF CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(-c2ccccc2F)nc2ccc(OC)cc12 45168591 DFOGUDXCDUKCIC-BZXROKRSSA-N 420.528 5.203 0 1 HKAF CCCN1C(=O)S/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1=O 45371874 KFNFEJVMEFAITK-UYRXBGFRSA-N 423.925 5.639 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 59908581 SGNBVLSWZMBQTH-XQBXDOQXSA-N 400.691 7.635 0 1 HKAF CC(C)=C[C@H]1C[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@@]23C)O1 64539531 WQLADPPAYVUSAB-VSUSBFIXSA-N 403.610 6.938 0 1 HKAF FC(F)(F)c1cccc(-n2cc(C3=NO[C@@H](C4CCCCC4)C3)c3ccccc32)c1 66077742 XGNOCHTWZWMMNL-HSZRJFAPSA-N 412.455 6.723 0 1 HKAF Cc1nc(-c2cnc(NCCOc3ccccc3)nc2-c2ccc(F)cc2)oc1C 82164405 UQJOEFQIFDCOCU-UHFFFAOYSA-N 404.445 5.045 0 1 HKAF O=C(CCc1ccccc1)Nc1cc(Nc2ccc3c(c2)CCCCC3=O)ccc1F 95579281 KPCHFUJBVDJRMX-UHFFFAOYSA-N 416.496 6.050 0 1 HKAF CSc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C(F)(F)F)nn12 96933438 ZVURGRBGOSQMCA-UHFFFAOYSA-N 421.231 5.029 0 1 HKAF CCOc1cc([C@@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)ccc1OC(C)=O 101841429 CXAALDQLGYRBHS-DEOSSOPVSA-N 420.509 5.882 0 1 HKAF COc1c(O)ccc2c1Oc1c3c(c(CC=C(C)C)c(O)c1C(=O)O2)OC(C)(C)C=C3 139442547 VPYHBRQMDZZLDV-UHFFFAOYSA-N 424.449 5.124 0 1 HKAF Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(-c2cnccc2C)n1 144297788 MWYGBLZNOSMEGL-UHFFFAOYSA-N 412.468 5.463 0 1 HKAF COc1cc(-c2cnn3ccc(Nc4ccc(C(C)C)cc4)nc23)cc(OC)c1OC 145127685 VJIYPOVSLQXPRN-UHFFFAOYSA-N 418.497 5.289 0 1 HKAF CC(/C=C/C=C(C)/C=C/[C@@]1(O)C(C)(C)CCC[C@@]1(C)O)=C\C=C\C=C(/C)C(=O)O 149016506 YBWOXWSKTIHNHZ-JPHOOILWSA-N 400.559 5.271 0 1 HKAF [C-]#[N+]c1ccc(N2C(=O)C3(CCC3)N(c3ccc(C)cc3)C2=S)cc1C(F)(F)F 167682820 BNPJETNROGKXJL-UHFFFAOYSA-N 415.440 5.625 0 1 HKAF OCC(=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)CO 169330185 UIPOVVFRSFCIBD-UHFFFAOYSA-N 415.920 5.833 0 1 HKAF Cc1ccnc2c(NC(=O)c3ccc(-n4c(O)c5c(c4O)[C@H]4C=C[C@@H]5C4)cc3)cccc12 169686992 KSLHAODJKMKLGY-CALCHBBNSA-N 423.472 5.138 0 1 HKAF CC(C)=CCC/C(C)=C\Cc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12 238788332 GLMLQROWOJXFJA-APSNUPSMSA-N 406.478 5.812 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 255214613 HCXVJBMSMIARIN-PBBWJIJZSA-N 412.702 7.801 0 1 HKAF Brc1ccc(-c2ccc(-c3noc(Cc4c[nH]c5ccccc45)n3)o2)cc1 299841394 ZPDYQAQKHYBEFS-UHFFFAOYSA-N 420.266 5.831 0 1 HKAF CCCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc(C)c1 299877321 HAQWXGIWOXBEKK-IVOMFYJKSA-N 420.601 5.465 0 1 HKAF Brc1cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1Br 586884878 JOSGPVZBTSPJQC-KZULUSFZSA-N 418.132 5.459 0 1 HKAF Cc1ncc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(C)c1Br 586979180 IWGAFXUGKQMPHN-UHFFFAOYSA-N 410.340 6.155 0 1 HKAF CCCCCCc1c(-c2ccc(N)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586996462 NSSGOHXWEMKXEU-UHFFFAOYSA-N 420.556 7.127 0 1 HKAF Clc1cc(Cl)cc(-c2nc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)cs2)c1 587015554 PKMKIIWSDJKXTJ-UHFFFAOYSA-N 416.120 6.362 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cnc4ccccc4c3[nH]1)N2 587031489 ODXCEQFKJNGILY-RGZVIEDOSA-N 421.551 5.238 0 1 HKAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(SC(F)(F)F)ccc2[nH]1 587039497 SOGWMQJSLYDNTO-UHFFFAOYSA-N 417.438 5.040 0 1 HKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(I)cc2[nH]1 587070858 XUYGTQNVXLGVNK-JTQLQIEISA-N 424.669 5.197 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(S)nc(S)nc2[nH]1 587072765 WKMMGYFJGNXOCN-TXCQAMFQSA-N 423.394 5.603 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c(C)ccc(C)c4[nH]3)c(Cl)cc12 587078122 IFKWLBKYEUZFOK-CQSZACIVSA-N 410.901 6.032 0 1 HKAF Oc1ccccc1-c1cc(-c2nc3c(Cl)ccnc3[nH]2)c2cccc(Cl)c2n1 587081546 QCMDUXGBKSYEQN-UHFFFAOYSA-N 407.260 5.853 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cccc(Cl)c2[nH]1 587083358 PXJFASVLXFKYND-MDZDMXLPSA-N 417.727 6.247 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1F 587149080 GHCBALLDQPAQPA-KRWDZBQOSA-N 406.219 5.711 0 1 HKAF C[C@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330634 OJKNWYXZOPPULM-IFMALSPDSA-N 416.370 5.824 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccnc2)[C@@H]1c1ccc(F)cc1 587337212 LWKCPWGXMYPCGW-AOYPEHQESA-N 411.432 5.229 0 1 HKAF CCCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352122 IHJXCRGRMUCOBV-VPUSJEBWSA-N 418.508 6.756 0 1 HKAF Cc1nc(C(C)C)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587371345 BZJOPRFDDOPCHH-AUSIDOKSSA-N 411.498 5.694 0 1 HKAF CCc1ccc2cc(-c3cc(C)ccc3C)c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)n2c1 587393109 CBDYLCYJPMOWCL-SANMLTNESA-N 424.544 6.383 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cc(Cl)ccc4C(=O)O)cc1)[C@@H](C2)C3=O 587417281 BJBWDNCCZUDWPU-WMZHIEFXSA-N 420.848 5.203 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc4c(C(F)(F)F)ccc(Cl)c4[nH]1)[C@@H](C2)C3=O 587419544 CSGTUVMRLHQIMH-WLRWDXFRSA-N 407.775 5.337 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc(OC)c(Cl)c1)CC2=O 587462897 SGDCQTDAZVBVRZ-QFIPXVFZSA-N 411.885 5.504 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccccc3[S@@](C)=O)cc1)CC2=O 587494387 WZMWJCVGUPQEQG-YUDQIZAISA-N 420.530 5.456 0 1 HKAF C[C@@]1(c2ccccc2-c2ccc(C(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587531305 YBDHZMRKDRTKQW-MHZLTWQESA-N 412.485 5.811 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(OC2CCC2)c1 587555551 GWCIRRTZFFWJIL-XUZZJYLKSA-N 406.409 5.166 0 1 HKAF Cc1ccc2c(c1C)OCCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609202 MXIWRFFTGKIOCM-BWKNWUBXSA-N 402.446 5.039 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(C)ccc3O)c(C(=O)c3ccc(Cl)cc3)c2c1 587641151 KQCQUFUUSDUVSR-MRXNPFEDSA-N 417.936 7.247 0 1 HKAF Cc1cc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ccc1Br 587657503 WLOAEHJDEHPWRZ-UHFFFAOYSA-N 409.258 5.263 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC2CC2)(c2ccc(Cl)cc2)N1 587702200 OMAQBDFIBIUNIS-FKIZINRSSA-N 408.742 5.820 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)N1 587711268 JLARMQCSSYVUQJ-VPTHRUTESA-N 422.647 5.884 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(C(F)(F)F)cc32)N1 587714962 QICUCSXVPFBRGL-YPMLDQLKSA-N 414.240 5.331 0 1 HKAF CC(C)[C@@]1(c2cccc(Cl)c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587725926 SXMHLYDNXMEMBM-WLRWDXFRSA-N 414.721 5.815 0 1 HKAF CCCOc1ccc(CC)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587798167 XTVZRKPUBYTVLU-YEJXKQKISA-N 406.339 5.563 0 1 HKAF CC1=C(/C=C\[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)CCC1 587815064 KDWBNHZLDANXGM-QJLATGBGSA-N 406.383 6.420 0 1 HKAF CC(C)c1ccc2c(c1)[C@@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587816842 DWLZDTUITORQBG-RCDICMHDSA-N 402.351 5.826 0 1 HKAF CCCC[C@]1(CCCCC(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587829144 QURDPVTZTBPCJW-ORAYPTAESA-N 400.332 5.153 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cc3ccccc3)s2)N1 587849581 UFORVCULLVHGNO-YEJXKQKISA-N 416.359 5.864 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccnc2cc(Cl)ccc12 587864741 KBYAODZQRKGPBE-UHFFFAOYSA-N 417.818 6.158 0 1 HKAF Cc1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(C)c(C)c3)cs2)cc1 587921479 ZXNPVDQZIDKGRK-QFIPXVFZSA-N 423.585 6.986 0 1 HKAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(Br)cc(Cl)c2[nH]1 587926896 LZHQMELSRMAJCL-GFCCVEGCSA-N 409.711 5.538 0 1 HKAF CCCCOc1cc2nc([C@H](CC)O[C@@H]3CCC[C@H](C)C3)[nH]c2cc1Br 587951630 XAHPARUWDAJROF-KHYOSLBOSA-N 423.395 6.551 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cccc(C)c2[nH]1 587959467 MCHYUUWKMQLWIX-XKPMTSFDSA-N 416.653 8.726 0 1 HKAF Clc1ccc(-n2c(-c3ccccc3)c(-c3ccccc3)c3c2ncn2cnnc32)cc1 653845138 XMPMGEITYPKCDM-UHFFFAOYSA-N 421.891 6.056 0 1 HKAF Cc1ccccc1[C@@H]1C[C@@H]1[C@]1(C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962644191 RFWJOAYLBKUYGV-KCXYBRFRSA-N 408.589 5.761 0 1 HKAF COC(=O)[C@H](n1cccc1[C@H]1NCCc2cccc(-c3ccccc3)c21)C(C)(C)C 962673322 WPSFNNUTWMKDQI-RPWUZVMVSA-N 402.538 5.150 0 1 HKAF O=C([C@@H]1Cc2ccccc2[C@@]2(CCCc3c2sc2ccccc32)N1)C(F)(F)F 962772173 VPOXNEYLHZKZTP-LAUBAEHRSA-N 401.453 5.127 0 1 HKAF Cc1ccc([C@@]2(c3ccc(Cl)nc3)NCCc3c(Cl)cc(Cl)cc32)cc1C 963105291 ICWKEQQCTBFVBE-QFIPXVFZSA-N 417.767 6.096 0 1 HKAF COc1ccc(-c2c(C)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1 1857611772 CXEXCGWJWREVQC-UHFFFAOYSA-N 407.473 5.341 0 1 HKAF Nc1cc(-c2cccc(C(F)(F)F)c2)c(C(=O)c2ccc(Cl)c(Cl)c2)s1 1857648305 BERMQOZUWQIGJE-UHFFFAOYSA-N 416.251 6.554 0 1 HKAF Clc1cccc(-n2cc(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)nn2)c1 1857765149 MJMSFEIXZZHFJB-UHFFFAOYSA-N 423.907 6.064 0 1 HKAF O=C(O)CCC=C1CC[C@H](c2ccc(O)cc2)[C@H](CCCCCC[C@H]2C=CCC2)C1 2356367268 ZQMKWTFIKQVFIO-BBVWWWHTSA-N 410.598 7.374 0 1 HKAF COc1cc(O)c(-c2c(C)cc(O)c3c(OC)cccc23)c2c1[C@H](C)N(C)[C@H](C)C2 2356516043 JYDUXYXOEDHAMY-CABCVRRESA-N 407.510 5.181 0 1 HKAF CC(=CCN1[CH]N(C)c2ncnc(N)c21)CCC=C(C)CC[C@@]1(C)C(C)=CCC[C@@H]1C 2356553526 DESWYACBQCTSJT-NVQXNPDNSA-N 422.641 6.270 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356569090 IGLXIHMNQDKKLE-UDKJDSIPSA-N 416.690 6.606 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2C[C@]34CC=C5CCCC[C@]5(C)[C@@H]3[C@@H]4C[C@]12C)C(C)C 2356616756 GAGAIBVZNQUTDY-XYLZLGFPSA-N 410.730 9.054 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356680007 PRISGQUOLDSJKP-PHKVPSKJSA-N 400.691 7.779 0 1 HKAF Oc1cc2cc(c1)Oc1c(O)cc(O)cc1CCCC=CCCCCCCCCC2 2356848703 PHRROGUXJIQVLX-UHFFFAOYSA-N 410.554 7.152 0 1 HKAF CO[C]1C=C(OC)C=C2C=C(C)N(c3ccc(OC)c4c(OC)cc(C)cc34)C(C)=C12 2356852371 ALAHDXDKXOBGAR-UHFFFAOYSA-N 418.513 5.812 0 1 HKAF Cc1cc(Br)ccc1C(=O)O[C@@H](CCN(C)C)c1ccc(Cl)cc1 13684964 QSJKKDHFCKXZKV-SFHVURJKSA-N 410.739 5.261 0 1 HKAF CCCCC/C=C/C(=O)O[C@H]1C[C@H]2[C@H](CCC[C@H]2CCCC[C@H](O)CCC)N[C@H]1C 26835027 QNAATLGQMSSVEO-IRGHNMAVSA-N 421.666 5.923 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 27213335 QASMLJURBZXYNW-FVLMSORVSA-N 401.679 6.928 0 1 HKAF Cc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)NC(C)(C)C)nc2n1 27414125 OHRKFMVIHAGMTD-UHFFFAOYSA-N 404.301 5.227 0 1 HKAF C[C@@H](Oc1ccc2c(c1)OC[C@@H](Cc1ccccn1)[C@@H]2O)c1ccc2ccccc2n1 27979798 PCOADGWBOALVHJ-AZZGJVAJSA-N 412.489 5.055 0 1 HKAF O=[S@](CC(F)(F)C(F)(F)F)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 28220376 URGPBBLLLHSWAF-MHZLTWQESA-N 400.372 5.049 0 1 HKAF FC(F)(F)c1cnc(Nc2cccc(Cl)c2)nc1Nc1ccc2[nH]cnc2c1 28522942 ZOEFLUNJKODZLU-UHFFFAOYSA-N 404.783 5.512 0 1 HKAF NCCCCCN(CCc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 28825913 XBRBESJFXQCZSS-UHFFFAOYSA-N 413.565 5.064 0 1 HKAF Fc1ccc(Cn2c(NC3CCN(Cc4ccccc4)CC3)nc3ccccc32)cc1 28827099 MZTGXOYMGCGDBB-UHFFFAOYSA-N 414.528 5.300 0 1 HKAF O=C1C[C@H](O)C[C@H](/C=C/c2c(Cl)cc(Cl)cc2OCCCc2ccccc2)O1 29412643 IONSZDAOHHEDNZ-NUQYTELCSA-N 421.320 5.085 0 1 HKAF O=C1/C(=C2/CCCN2Cc2ccccc2)c2ccccc2N1c1cccc(Cl)c1 39613734 FECHBJHBLNPAGK-VHXPQNKSSA-N 400.909 6.025 0 1 HKAF COCOC(=O)c1ccccc1SC/C=C(\C)CC/C=C(\C)CCC=C(C)C 40972795 WPYKJACQQNTKNZ-FJNYLYSMSA-N 402.600 6.959 0 1 HKAF Cc1ccc([C@H](CCN(C)C)NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cc1 45286987 SMTCWECJJJQGFZ-DEOSSOPVSA-N 406.957 5.738 0 1 HKAF CCc1cnc(-c2cnc(NCCOc3ccccc3)nc2-c2cccc(C)c2)s1 82173161 PYTOWPKCPOBPGE-UHFFFAOYSA-N 416.550 5.629 0 1 HKAF CN1CCN(c2ccc([C@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 84634594 ZLOIGSNUNDZINZ-RBRVVUAHSA-N 400.610 5.787 0 1 HKAF CCCCCn1cc(C(=O)C(=O)NC2CCCCC2)c2cc(-c3ccccc3)ccc21 84739554 QKTCZFBLPVWQNB-UHFFFAOYSA-N 416.565 6.130 0 1 HKAF COc1ccc(-c2csc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccco3)n2)cc1 84757483 GVQIBBZBIIFTLM-OAQYLSRUSA-N 419.481 5.907 0 1 HKAF O=C(O)CCCOc1ccc(/C(=C/CCc2ccccc2)c2cccc(O)c2)cc1 95607365 BAQBRCZMXOGLEN-ROTLSHHCSA-N 402.490 5.700 0 1 HKAF CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 96900332 LMMRHWWBNFVJIU-SOBUPEORSA-N 404.679 6.584 0 1 HKAF FC(F)Oc1ccc(-c2nnc3cncc(Oc4ccc5ccsc5c4)n23)cc1 103302925 MLBNXJTXHVBPEC-UHFFFAOYSA-N 410.405 5.400 0 1 HKAF CCCCC[C@@H](C)[C@@H](C)c1cc(OCC2CC2)c2c(c1)OC(C)(C)c1ccncc1-2 169347737 MRLUGCSTUIYFTK-RTBURBONSA-N 407.598 7.485 0 1 HKAF c1ccc(CN2[C@H](c3ccccc3)C3=C(NO[C@H]3c3ccco3)[C@@H]3CCCC[C@H]32)cc1 169356708 DGPSOURKQBTBED-VLHNATBGSA-N 412.533 5.926 0 1 HKAF Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)cc1F 204545139 VMJJTYROZWSNFN-UHFFFAOYSA-N 406.413 5.090 0 1 HKAF Nc1cnc(-c2ccc(C3CCC3)c(OCc3cccc(Cl)c3Cl)c2F)cn1 212116369 RMXMTHAKDKWUQS-UHFFFAOYSA-N 418.299 6.018 0 1 HKAF C/C=C(\C)C(=O)O[C@H]1C[C@H]2Cc3occ(C)c3C[C@]2(C)[C@@H](C)[C@@H]1OC(=O)C=C(C)C 238775063 IDAAXBSMDRZVPD-KODOZPHFSA-N 414.542 5.105 0 1 HKAF CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4C(=CC[C@@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@]12C 255259960 PTWDXFXWKUNEOH-HPMQTCBDSA-N 408.714 8.974 0 1 HKAF COc1ccc(Nc2c(-c3ccc(-c4c(C)noc4C)cc3)nn3ccncc23)cc1 299836144 MRMJGDVOKLKFKP-UHFFFAOYSA-N 411.465 5.420 0 1 HKAF CC(C)Oc1cc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1Br 586896843 REMMWHQWZCAKMK-UHFFFAOYSA-N 423.310 6.152 0 1 HKAF Cc1[nH]c2ccccc2c(=N)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986903 GZGYWYYLINPLDC-UHFFFAOYSA-N 403.441 5.088 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@@H]4c1cccc(Cl)c1)-c1ccccc1C2=O 586993552 OMBJXCPMEYGDOV-OAQYLSRUSA-N 423.899 6.055 0 1 HKAF Cc1cc(Br)c2[nH]c(C(C)(C)Oc3ccc(Br)cc3)nc2c1 586996815 UTOQALIMMXLAER-UHFFFAOYSA-N 424.136 5.710 0 1 HKAF Clc1cc(Cl)c2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2c1 587038955 CPAHOBMGDDQQFK-UHFFFAOYSA-N 412.345 6.715 0 1 HKAF FC(F)(F)Oc1ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2c1 587048059 PMQMRGYRLRRLJM-UHFFFAOYSA-N 423.221 7.102 0 1 HKAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587081145 WIPKOIWYPGTTEY-FQEVSTJZSA-N 416.912 5.519 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c1 587085563 ZZPVXCUULIOYCA-UHFFFAOYSA-N 416.234 5.063 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(Br)c(F)cc3O)nc3cccc1c23 587102617 BSDGUWLOZCXPKF-UHFFFAOYSA-N 420.237 5.720 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](c1cccc(C(F)(F)F)c1)CC3 587104470 VYQBHDICWBUTPR-MRXNPFEDSA-N 415.414 6.543 0 1 HKAF COc1c(F)cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1F 587135071 RUSQBQUKNFKWRJ-UHFFFAOYSA-N 423.135 5.178 0 1 HKAF O=C(COc1ccccc1-c1nc2cc(Cl)c(F)cc2[nH]1)Nc1ccccc1F 587153725 AXAUGILLMOLGIM-UHFFFAOYSA-N 413.811 5.179 0 1 HKAF O=C(Nc1cccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1)c1ccc(F)cc1 587163386 PAWBCHWOVAKOBW-UHFFFAOYSA-N 415.346 5.520 0 1 HKAF Cc1nc(-c2ccccc2)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587207686 IVPKSBYLRWNVJV-UHFFFAOYSA-N 404.494 6.545 0 1 HKAF Cc1ccc(F)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1Cl 587329292 DLWRNDXJSSMJPS-WMZHIEFXSA-N 414.835 5.907 0 1 HKAF CC[C@@]1(c2ccc(N(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338616 QRFKOWGKQXWUSS-NOZRDPDXSA-N 405.469 5.262 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2Cc2ccccc2)[C@H]1c1ccc(F)cc1 587351733 GZNMJGNFAVCRQH-LUPFDQBXSA-N 402.465 5.672 0 1 HKAF Cc1ccc(C[C@@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587355055 POLLHRKUWKYWLF-RSXGOPAZSA-N 404.481 5.836 0 1 HKAF Cc1cc(C)c2c(c1)[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357668 NXBVQCYFKCQDLR-DHLKQENFSA-N 404.437 5.185 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccccc1F 587386692 WCZVGMAOQQMCIV-QHCPKHFHSA-N 407.441 5.010 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1nc3c(s1)C[C@@H](c1ccccc1)CC3)CC2=O 587492510 AJMHLTLWOXEHIA-KSFYIVLOSA-N 419.546 5.780 0 1 HKAF Cc1ccc(-c2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1F 587500999 ACWWMEOEVSHWEQ-MHZLTWQESA-N 400.493 6.561 0 1 HKAF O=C1C[C@]2(CCC[C@H]2c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 587506818 PIVWXFFYAMYTBY-MBSDFSHPSA-N 401.333 6.544 0 1 HKAF Cn1c(-c2ccccc2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587515357 LDMPMIWAPAMTAG-RUZDIDTESA-N 407.513 6.431 0 1 HKAF CCCCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F 587559618 YAEWTWYBUTVBBS-XUZZJYLKSA-N 408.425 5.413 0 1 HKAF Cc1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587676817 FWUXIUSRLRACFX-DYZYQPBXSA-N 413.128 5.283 0 1 HKAF COc1cc(Cl)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 587692722 LNYHOTIAKVRZDK-WNWIJWBNSA-N 419.121 5.527 0 1 HKAF Cc1cc(Cl)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1Cl 587695919 SNHUGUFOWPPURT-VVVCHXIZSA-N 403.122 5.827 0 1 HKAF Cc1cc(C(F)(F)F)ncc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587710411 CNSUIZPFQUYWII-BMLIUANNSA-N 417.244 5.108 0 1 HKAF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C(F)(F)F)c1 587711796 MISZMXJKZWKOLM-HUTHGQBESA-N 418.228 5.239 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)cc2C(F)(F)F)N1 587714635 WFQQYLMULXRXNB-ZKANADHPSA-N 422.647 5.884 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(C2CCCC2)N1 587731554 HALGUVQUSGELLI-ASSNKEHSSA-N 406.314 5.695 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H]2C(=O)c2ccccc2)N1 587824117 UOLRCDOCJIHRAL-QTPGKHNVSA-N 402.307 5.001 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SC(C)(C)C)cc2)N1 587841094 PKISZEXCUWINJN-BLVKFPJESA-N 408.380 6.102 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cscc2Br)N1 587856183 WQPLZBGWBQRTOZ-ANRSDYALSA-N 419.157 5.210 0 1 HKAF Cc1nc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cs1 587856247 XBDPPAQXMXQFRF-LZVRBXCZSA-N 423.376 5.705 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2cc(Cl)ccc2nc1Cl 587870838 JNHMTEIMQQFRQF-UHFFFAOYSA-N 403.244 5.327 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sc2cc(C)ccc2c1Cl 587872561 NMWUFGIKGPPBSC-UHFFFAOYSA-N 414.889 5.953 0 1 HKAF CCCCOc1ccc(OCCCC)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 587937974 PFXUVLFICCSTNJ-UHFFFAOYSA-N 408.498 5.595 0 1 HKAF Cc1ccccc1NC(=O)C1CCN(C(=O)[C@H](C)c2ccc(CC(C)C)cc2)CC1 653757863 PFQRSXWJRKUUCO-HXUWFJFHSA-N 406.570 5.174 0 1 HKAF CC[N+](CC)=c1sc2c(s1)[C@@H](c1ccc(Cl)cc1)Oc1ccc(Cl)cc1-2 653875507 BNOXBBORQRCKNS-QGZVFWFLSA-N 423.410 6.077 0 1 HKAF COc1ccc2c(c1)[C@](CC(=O)c1ccc(C)cc1O)(c1ccco1)N(C(C)C)CC2 962094895 UDOSEKGWVLHJMG-AREMUKBSSA-N 419.521 5.085 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@]12CCCC[C@@H]2C(=O)c1ccccc1 962398390 NGJROJXMBFOGPG-RDGATRHJSA-N 404.579 5.413 0 1 HKAF Brc1ccc2c(c1)[C@@]1(CCCC2)NCCc2cc(-c3ccccc3)ccc21 962666547 KLRSFLMIPCOTGS-VWLOTQADSA-N 418.378 6.232 0 1 HKAF Cc1c([C@@H]2NCCc3cccc(-c4ccccc4)c32)c(C)n(C[C@H]2CCCO2)c1C 962667677 PIXUFSJJSPKTLC-KCWPFWIISA-N 400.566 5.494 0 1 HKAF Cc1cccc(C)c1[C@@]1([C@H]2CC[C@H](C(=O)O)CC2)c2ccc(F)cc2C[C@H]2CCCN21 963096214 CZLFRFNSZUCCFH-BGIHLZDGSA-N 421.556 5.598 0 1 HKAF COc1ccc2c(c1)[C@H](c1[nH]c3ccc(C)cc3c1C)N(Cc1ccc(F)cc1)CC2 963301788 MKZIBSQUYPGKBQ-HHHXNRCGSA-N 414.524 6.080 0 1 HKAF CCc1cnc(-c2cc(Cl)ccc2F)cc1N=c1cc[nH]c2cccc(OC)c12 1772602653 RBBJTRKTGRLFDD-UHFFFAOYSA-N 407.876 5.826 0 1 HKAF COc1ccc(-c2c(Nc3ccc(C)c(O)c3)c3ccc(OC)cc3oc2=O)cc1 1772604338 SPLQYLCYOITTNM-UHFFFAOYSA-N 403.434 5.235 0 1 HKAF COC[C@@]1(c2ccc(C)cc2)CC(c2ccccc2)=NN1C(=O)Nc1ccc(F)cc1 1772650100 VEONUVYKBNAEAW-RUZDIDTESA-N 417.484 5.318 0 1 HKAF C[C@H]1C[C@H]1C(=O)Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)[nH]nc3c2)c1 1772653283 RCMDUVONVDJPAY-KCAUSFFCSA-N 409.489 6.120 0 1 HKAF Cc1cccc(C(=O)Nc2ccc(Nc3ncnc4c3Cc3ccccc3N4)cc2)c1 1857747789 JCVBJIQFKUYRAD-UHFFFAOYSA-N 407.477 5.429 0 1 HKAF CC(C)[C@H](C)C[C@@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356346714 XGIZPVUTLMXXTK-RVCHGQSQSA-N 416.690 6.894 0 1 HKAF CC(C=C[C@]1(C)[C@@H](C)CCC(=O)[C@H]1C)=CCc1c(O)c(Cl)c(C)c(C=O)c1O 2356478795 SETVRSKZJJWOPA-URSPUVDMSA-N 404.934 5.559 0 1 HKAF CC(C)Oc1ccccc1O[C@@]1(C)CCN(Cc2ccc(OC(F)(F)F)cc2)C1 61908170 WBURSTYAGKNSOP-NRFANRHFSA-N 409.448 5.416 0 3 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]34C)[C@@H]1CC[C@@H]2O 13448425 GIQHGRUKLUVHHK-JLXKGEGHSA-N 415.581 5.201 0 1 HKAF O=C(O)c1cccc(CN2CCC(c3cn(Cc4ccco4)c4ccccc34)CC2)c1 13586285 ZZMRJEDGNAGSCT-UHFFFAOYSA-N 414.505 5.360 0 1 HKAF COc1ccc([C@@H]2C(Cl)(Cl)[C@]2(c2ccc(O)cc2)c2ccc(OC)cc2)cc1 13649382 BDHBUIDQXHCOFL-FCHUYYIVSA-N 415.316 5.667 0 1 HKAF Clc1ccc(CN2CCN(c3nc4sccc4n4cccc34)CC2)cc1Cl 13755968 WYLPBTJCTUPQGN-UHFFFAOYSA-N 417.365 5.178 0 1 HKAF CC(C)=CCC[C@@]1(C)C=Cc2c(O)ccc([C@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O1 14690570 BVVVHQJFODXUQX-BWKNWUBXSA-N 422.477 5.421 0 1 HKAF biogenic CCO[P@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCCCC1=O 26280316 QXQJMDBRPLNYHP-HHHXNRCGSA-N 414.467 5.705 0 1 HKAF COc1cc2cnnc(Nc3c(Cl)cncc3Cl)c2cc1OC1CCCC1 26296074 RABMMZJTHPGLCT-UHFFFAOYSA-N 405.285 5.405 0 1 HKAF CC(C)(C)c1cccc(C(C)(C)C)c1N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O 26832650 UQNRKAQVSCWPSY-UHFFFAOYSA-N 407.407 5.639 0 1 HKAF CC(=O)OC/C=C(\C)CC/C=C(/CCC[C@H](C)[C@H](O)CC=C(C)C)COC(C)=O 28643364 BZAVZICHJGLLNC-YNWBCAHYSA-N 408.579 5.289 0 1 HKAF Cc1ccc(S(=O)(=O)N(c2cc(Cl)ccc2CO)[C@H](C)C2CCCCC2)cc1 28823154 OHUNPIUVKQUKEE-QGZVFWFLSA-N 421.990 5.305 0 1 HKAF Cc1cc2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2 33969751 WZVWUSABZGIQJZ-PFPZSTESSA-N 416.690 8.532 0 1 HKAF in-man FC1(F)CCN(CCc2ccc(C3=CC[C@H]4CN(Cc5ccccc5)C[C@@H]34)cc2)C1 36289113 ARXINUPRMISVLG-UKILVPOCSA-N 408.536 5.105 0 1 HKAF CC(C)N1C(=O)N[C@@H](c2ccc(OCc3ccccc3)cc2)c2cc3c(cc21)OCO3 40465727 KIAPHQQBSWORBT-DEOSSOPVSA-N 416.477 5.022 0 1 HKAF CCO[C@@H](c1ccc(Cl)cc1)[C@H](SC(C)(C)C)n1cnc(C(F)(F)F)c1 45366106 LWSRFXJJZKEECJ-HOTGVXAUSA-N 406.901 6.363 0 1 HKAF CCCO[C@H](c1ccc(Cl)cc1Cl)[C@H](SC(C)(C)C)n1cnc(C)c1 45386428 CBJSFRYJPRQSJM-MSOLQXFVSA-N 401.403 6.697 0 1 HKAF COc1ccccc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(F)cc1 49803903 JWESMYAXISKMKG-GIWBLDEGSA-N 424.472 5.679 0 1 HKAF O=C(N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCNC1)c1ccc2cnccc2c1 72178721 IZVADJXWZKIYOV-RXVVDRJESA-N 414.336 5.012 0 1 HKAF Cc1nc2c3c(ccc2s1)NC1=C(C(=O)OC1)[C@H]3c1ccc(Cl)cc1Cl 73157642 HDEDGAMKKRPWBM-HNNXBMFYSA-N 403.290 5.280 0 1 HKAF Clc1ccccc1CNc1cc(Oc2ccc3oc4ccccc4c3c2)ncn1 82068273 BWZMRIOXULHULM-UHFFFAOYSA-N 401.853 6.434 0 1 HKAF O[C@@H](CCn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21 84689941 CDMWFSVDIMSKDS-FQEVSTJZSA-N 404.513 6.354 0 1 HKAF COc1ccc(-c2csc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccco3)n2)cc1 84757495 ASGFFBMAPPBLJN-JOCHJYFZSA-N 415.518 6.076 0 1 HKAF COc1ccc(NC(=O)N(CCO)[C@@H](C)c2ccccc2)cc1OCCCC(C)C 95557896 AQTAHPRLHPDOLM-IBGZPJMESA-N 414.546 5.098 0 1 HKAF Cc1cc(-c2nc(C3CCC3)n3ccnc(N)c23)cc(Cl)c1Oc1ccccc1 96168119 YWQAWMUDNCSVAS-UHFFFAOYSA-N 404.901 6.000 0 1 HKAF CSc1ccc2c(c1)Sc1cc3ccccc3nc1N2CCN1CCCCC1 96905659 KTSTYDQJFDBSTC-UHFFFAOYSA-N 407.608 6.045 0 1 HKAF COc1ccc(Nc2cc(/C=C/c3ccc(OCc4ccccc4)cc3)nc(N)n2)cc1 96914145 QWCCMFRPISLGMV-JXMROGBWSA-N 424.504 5.560 0 1 HKAF S=c1oc(-c2ccc3c(c2)OCCO3)nn1CNc1cc(Cl)ccc1Cl 96935195 XRIZAOCQQWKILC-UHFFFAOYSA-N 410.282 5.020 0 1 HKAF O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1Cn1ccc2ncnc-2c1 100062198 KSRRDMNDIFXTLU-UHFFFAOYSA-N 420.472 5.476 0 1 HKAF CC(C)NC(=S)N(C)CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 103275638 SPCTVJCZAIVWJA-IBGZPJMESA-N 410.505 5.430 0 1 HKAF O=C(O)c1ccccc1N1[C@H](c2ccccc2)[C@@]12C(c1ccccc1)=Nc1ccccc12 103276164 PZYONBNJBIMXJR-HAHKYSPUSA-N 416.480 5.976 0 1 HKAF COc1cccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)c1 104021054 KREDENQZLAURMY-GYCJOSAFSA-N 402.519 6.386 0 1 HKAF C[C@@H](C(=O)O)c1ccc(-c2cccc(OC(=O)NCCCc3ccccc3)c2)c(F)c1 143918934 ANMVAMOFGILDKL-QGZVFWFLSA-N 421.468 5.402 0 1 HKAF CCN1c2cc(C)ccc2N=C2CC(C)(C)CC(=O)[C@@H]2[C@@H]1c1c(F)cccc1Cl 169722009 IQAPNRIITLPCHN-PKTZIBPZSA-N 412.936 6.447 0 1 HKAF COc1ccc(CNc2nc(-c3ccccc3C(F)(F)F)nc3ccccc23)cc1 198405066 KPWVADZIPBQNQC-UHFFFAOYSA-N 409.411 5.936 0 1 HKAF C[C@H]1c2ccoc2C[C@H]2[C@H]1CC[C@@]1(O)C(C)(C)[C@@H](OC(=O)c3ccccc3)CC[C@]21C 199901381 GHDYDSFLVJFLBO-SLXCSGJVSA-N 422.565 5.748 0 1 HKAF COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21 238761445 GBNDVFBBFXZTRE-GVXSCFBNSA-N 400.559 5.317 0 1 HKAF Cc1ccc(C)c(N2C(=N)S/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)c1 299859415 FSFTUFGQJIELEM-ARKVWGHASA-N 414.530 5.938 0 1 HKAF CC(C)CCOc1ccc(Br)cc1-c1nc2cccc(C(C)(C)C)c2[nH]1 586981733 NEASZKYVVBZULL-UHFFFAOYSA-N 415.375 6.715 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1ccc(Cl)c(Cl)c1C4)-c1ccccc1C2=O 586993110 KYXXRJFQLVNFQG-UHFFFAOYSA-N 402.280 6.633 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(C(F)(F)F)cc(F)cc4[nH]3)c21 587030506 FXNINRKUIAZAFP-LLVKDONJSA-N 419.447 6.680 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc5c(cc4[nH]3)OCCCO5)c21 587031770 VEBIQHCXXPRMFZ-AWEZNQCLSA-N 405.523 5.683 0 1 HKAF FC(F)(F)Oc1cc2nc([C@@H]3Cc4ccccc4S3)[nH]c2cc1Br 587041649 CQXAOHCDOCANHY-AWEZNQCLSA-N 415.234 5.614 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(O)nc(S)nc2[nH]1 587069912 FYGXWUUNHIPLIP-QESQTXLRSA-N 407.326 5.020 0 1 HKAF CCOC(=O)/C(=C\c1ccccc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587095775 AMZRWTBIJWNEHB-HAHDFKILSA-N 419.480 5.858 0 1 HKAF Cc1ccc2c3c(c(CC(=O)O)c(-c4ccc5c(c4)CCC5)nc13)-c1ccccc1C2=O 587100442 KGGWGYFBQKSVKW-UHFFFAOYSA-N 419.480 5.537 0 1 HKAF COc1cc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143559 IQVXFPRZYZBPED-UHFFFAOYSA-N 418.468 6.040 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cccc(C(F)(F)F)c3[nH]2)cc1F 587150508 LDDWKTYORHXSDG-LJQANCHMSA-N 404.338 6.028 0 1 HKAF CCCCOc1cc2nc([C@@H](CC)Oc3ccccc3F)[nH]c2cc1Br 587154524 CWSARKGPLXCALW-QGZVFWFLSA-N 421.310 6.174 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1cc(Cl)ccc1Cl)CC2=O 587459137 CCVHZDOWMWUMGD-NRFANRHFSA-N 423.292 5.377 0 1 HKAF CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1cccc(C(F)(F)F)c1)CC2=O 587464701 WIPXDQJTNNFKJJ-GJCOWUBNSA-N 419.443 5.300 0 1 HKAF COc1c(Br)ccc(F)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587508090 RMJIOMHNPWUWSQ-QGZVFWFLSA-N 405.263 5.182 0 1 HKAF O=C1C[C@]2(CCc3cc(F)cc(Br)c32)Oc2c1ccc1c2CCCC1 587510804 WUVATYNCVHXMDU-NRFANRHFSA-N 401.275 5.274 0 1 HKAF CCCc1ccc([C@@]2(CCCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587529926 SFMDTEMFWMMGRY-AREMUKBSSA-N 406.522 5.634 0 1 HKAF C[C@@]1(c2cc(F)c(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553387 APSKXEVPGZBGHK-RXVVDRJESA-N 419.235 5.715 0 1 HKAF CC(C)c1ccc([C@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3cc(F)ccc23)cc1 587632913 NOUZHCBXKYHAGS-QFIPXVFZSA-N 421.899 6.967 0 1 HKAF Cc1cc(C)c2ccc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nc2c1O 587660000 AUOJVAAWBUPELC-UHFFFAOYSA-N 411.436 5.062 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2cccc(Cl)c2)N1 587701494 NNMBBRMNHWXOLB-NSPYISDASA-N 410.714 5.264 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(F)(F)F)(c2ccc(F)cc2)N1 587708841 FFRPXBPGRMNXOK-QGHHPUGFSA-N 420.219 5.458 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(F)c3)s2)N1 587728398 DWEOXUDQSLEVEO-GIPWTMENSA-N 420.322 6.079 0 1 HKAF CCOc1cc(OCC)cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587804403 ZFUCTPBWYCKXTN-ZSEKCTLFSA-N 422.338 5.183 0 1 HKAF Cc1cccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)c1 587830403 SWNYZIZNJAFYNZ-LRTDBIEQSA-N 400.291 5.780 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1csc2c1CCCC2 587866321 APPVEOZGDSLOAS-UHFFFAOYSA-N 420.456 5.596 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3c(F)cccc3Cl)n2)cc1 587923257 YHKWZRGSVOZCQJ-UHFFFAOYSA-N 422.887 7.557 0 1 HKAF CCOc1cc(CC(C)=O)c(OCC)n1-c1cc(OC(C)C)c(Cl)cc1Cl 587943399 ZIXIMKWHTLAGNN-UHFFFAOYSA-N 414.329 5.500 0 1 HKAF CC(C)c1ccc(-c2cc(O)n(-c3cc(F)c(Br)cc3F)c2O)cc1 587943429 BAJZKHKALOZCKR-UHFFFAOYSA-N 408.242 5.720 0 1 HKAF Brc1cnc(Br)c2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc12 587964688 GGBNLMCESGTXBV-UHFFFAOYSA-N 423.152 5.322 0 1 HKAF COc1cc2c(cc1OC)[C@@](c1cccc(Cl)c1Cl)(C1CC1)N(C)[C@@H](C)C2 962615684 AFBKWYCGCBTTIO-XMHCIUCPSA-N 406.353 5.541 0 1 HKAF CCC(C)(C)[C@@]1(c2ccc(SC)cc2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962641290 ZSHLEZLSYHPUFP-SSOJOUAXSA-N 413.627 5.982 0 1 HKAF CCC(C)(C)[C@]1(c2ccccc2C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962645944 TXZDWCGGTQSTRP-VIZCGCQYSA-N 424.632 6.422 0 1 HKAF FC(F)(F)c1ccc([C@H]2CCCC[C@]23NCCc2cc(-c4ccccc4)ccc23)cc1 962663968 FJNYOIQZWRTAAF-RSXGOPAZSA-N 421.506 7.071 0 1 HKAF CCOc1cc([C@H]2c3ccsc3CCN2Cc2cccnc2)cc(Cl)c1OC 962993518 CBMRKBQUEAINCQ-NRFANRHFSA-N 414.958 5.352 0 1 HKAF Cc1cccc([C@]2(CCc3ccc(Cl)cc3)NCCc3c(C(=O)O)cccc32)c1C 963129534 GORPTIYVOWYIEV-SANMLTNESA-N 419.952 5.677 0 1 HKAF O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccc(Cl)c(F)c1 1857588745 CKHOCBHSXFKSBJ-UHFFFAOYSA-N 401.224 6.193 0 1 HKAF NC(=S)c1cccc(-c2cn(C[C@H](CCF)CC(F)F)c3cc(N)ccc23)c1 1857614561 KMFNYHNHDABHSX-CYBMUJFWSA-N 405.489 5.156 0 1 HKAF CCC/C=C/C[C@H]1CC=CC=C(C)C=CC=C[C@@H](O)CC=C(C)C=CC=CC(=O)N1 1857627555 UMYFIUGQWGBKLX-WDQRTHPGSA-N 407.598 6.046 0 1 HKAF COC(=O)/C=C/C(C)=C/C(C)=C/[C@H]1C(CC(C)=O)=C(C)C=C2C[C@@H](C)C(=O)[C@@H](C)[C@@H]21 1857637979 NPDRLDWBYQKWPG-GZYVUVHISA-N 410.554 5.321 0 1 HKAF CN(C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4OC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)c1ccccc1 1857743925 LSOKXMPCEPXTEG-BJWOPKJYSA-N 409.570 5.214 0 1 HKAF Cc1cc(O)cc2c1O[C@H](C)[C@H](CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)C2 2356374188 PMFTXNJUEOLHLA-CBJLPSGESA-N 402.663 8.079 0 1 HKAF CC[C@H](C)C[C@H](C)C[C@H](CO)C[C@@H](C)C=C(C)C=C(C[C@H](C)C(=O)OC)C(=O)OC 2356433111 WZRMQIAMDZWMAG-PAPPXSOASA-N 424.622 5.328 0 1 HKAF CC(C)=CCC[C@@H](C)C=Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2 2356442549 GVSKSNRAUGVYDK-ZHRRBRCNSA-N 408.494 5.906 0 1 HKAF CO[C@@H]1OC(=O)C2=C1CC[C@@H]1[C@]3(C)CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C 2356498175 LIUVCTFOPNCVFW-MONLIZLDSA-N 416.602 5.242 0 1 HKAF CC=C(C)c1cc(O)c(C)c2c1Oc1c(COC)c(O)cc(C(C)=CC)c1C(=O)O2 2356561756 KVRPOBNNNYEDFU-UHFFFAOYSA-N 410.466 5.724 0 1 HKAF C[C@@H]1CC[C@]2(C(=O)O)CC[C@@H]3C(=CC[C@@H]4[C@@H]3CC[C@@H]3[C@@H]4CC[C@H](O)C3(C)C)[C@H]2[C@@H]1C 2356727978 VIJDACBFDIHGDH-LQGDCTNUSA-N 414.630 5.919 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 2356801704 RQWFQYUNTZZGLZ-QGHYQLFZSA-N 416.690 6.606 0 1 HKAF O=C1C[C@H]2CCN(C(=O)c3ccc(Cl)cc3)[C@H]3CCC[C@@H]([C@@H]1Cc1ccccc1)[C@@H]32 211061628 PFJQZFHNMXUCSS-MHYAVGLSSA-N 421.968 5.419 0 3 HKAF Cc1c(COc2ccc(F)cc2)oc2cccc(OCCCNCc3cccnc3)c12 13438503 OHZIEBJMWFPQAV-UHFFFAOYSA-N 420.484 5.413 0 1 HKAF CC(C)=CCc1c(O)cc2occ(-c3cc4c(cc3O)OC(C)(C)C=C4)c(=O)c2c1O 14558329 BKDCZFLMVDSLJS-UHFFFAOYSA-N 420.461 5.270 0 1 HKAF biogenic,in-vitro CC(C)c1nc(-c2ncn3c2CN=C(c2ccccc2)c2cc(Cl)ccc2-3)no1 26381537 JSKCYVURZKSHFA-UHFFFAOYSA-N 403.873 5.050 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4Cc5oc(C(=O)c6ccccc6)cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 27419913 QQZREEIDGFPMCP-SDRGBJROSA-N 418.577 5.829 0 1 HKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CCc3ccccc3)C[C@@H]21 27632053 RAMGIFKJVFUZMX-DNQXCXABSA-N 404.594 7.349 0 1 HKAF O=C(O)CC/C=C\C[C@@H]1CO[C@@H](c2ccc(Cl)cc2Cl)O[C@@H]1c1cccnc1 27761999 XDZGJTGQHCYFCC-HPXSHUSVSA-N 422.308 5.602 0 1 HKAF CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(-c2ccco2)c1 28890877 OBKIMSJWEBCQKF-LJQANCHMSA-N 422.521 6.071 0 1 HKAF CCN(CC)CCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12 29204316 FXPOBYSADIUOQY-UHFFFAOYSA-N 404.345 5.434 0 1 HKAF C[C@@H](Nc1cc(-c2ccc3ccccc3c2)nc2ccccc12)[C@H](O)c1ccccc1 29486301 XISAPCWSOWCRRT-GDJIYFAZSA-N 404.513 6.589 0 1 HKAF CC(C)CCCCCCCCCCCCC/C=C\CCCC(=O)OC[C@@H](O)CO 38262544 MPXRWZKBFNUKJV-JYAZYPBOSA-N 412.655 6.337 0 1 HKAF C[C@]12C[C@H](C[C@H](c3ccccc3)C1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2 43021136 NNCTXKNNQUMOPC-GRYUFTJMSA-N 423.988 5.240 0 1 HKAF CC1[C@H](O)CC(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCC[C@@H](C)O)C[C@H]1O 66259889 JWMNZSVRCJPIDT-DGWZJGLFSA-N 404.635 5.395 0 1 HKAF CC[C@H](C)NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccccc1 82133246 NMHFOALCMXGHEZ-ZRWHEIHHSA-N 406.574 5.155 0 1 HKAF O=C(O)CCCCCC[C@H]1C(=O)CC[C@@H]1c1ccc([C@H](O)C2CCCCC2)cc1 117774413 FLFZVSDHXMCUKI-TZBSWOFLSA-N 400.559 5.788 0 1 HKAF O=C(O)C[C@H]1CCn2c1cc1cc(OCc3ccc(Cl)c(C(F)(F)F)c3)ccc12 117790904 WEZSBHGIKFJOED-CYBMUJFWSA-N 423.818 5.855 0 1 HKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCN(C(=O)CO)C=C21 169317197 AHGMWEWSNMOGNW-SQGPQFPESA-N 415.574 5.065 0 1 HKAF COc1cc(Cl)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 204148942 HYIAWTNBECBRDG-UHFFFAOYSA-N 419.916 5.240 0 1 HKAF Clc1ccc([C@@H]2C[C@H]3CC[C@@H](S3)[C@H]2c2cc(-c3ccccc3)no2)cc1Cl 254012029 KWPJGSRDVFKINU-FHTPNYMGSA-N 416.373 7.184 0 1 HKAF C[C@@H]1CCC([C@H](C)[C@@H]2[C@H](O)C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)=NC1 257455825 JMSRDKIFVZVAMX-FQAJMKLESA-N 413.646 5.404 0 1 HKAF CC1(C)[C@H]2CC[C@H](CNc3cc(Oc4ccc5oc6ccccc6c5c4)ncn3)[C@H]1C2 299882294 PLDJJORFZFHCHH-LLGFUMIMSA-N 413.521 6.653 0 1 HKAF Cc1ccc(SCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(C)c1 586963970 SUFXTSRNGPGPMO-UHFFFAOYSA-N 415.278 6.253 0 1 HKAF Cn1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)nc2ccc(Cl)cc21 586985441 HKDFEXFRTKUXEC-UHFFFAOYSA-N 411.848 5.359 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(-n4ccnc4)c(F)c3)nc3ccc(O)c1c23 586985964 IJWZISIQHKABQY-UHFFFAOYSA-N 407.404 5.144 0 1 HKAF CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 586995526 IEMNMJRZJBJYGS-UHFFFAOYSA-N 415.209 5.538 0 1 HKAF Cc1c(Br)cc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1C 587004868 ANXUGKVOJXEXNT-UHFFFAOYSA-N 415.516 5.420 0 1 HKAF N[C@@H](N=O)c1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587069645 LWHFKAUCKOELQW-BAJVAIGLSA-N 416.912 6.113 0 1 HKAF O=C(c1cc(Cl)cc(Cl)c1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103162 FQAPJLCOIBNKSV-UHFFFAOYSA-N 404.252 5.984 0 1 HKAF Cc1c(-c2ccc(F)cc2C(F)(F)F)nc2cccc3c2c1-c1ccccc1C3=O 587103732 KMSGKCAMRDGCTA-UHFFFAOYSA-N 407.366 6.580 0 1 HKAF COc1ccc2cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)ccc2c1Cl 587103906 MXYHDDPDRGUVRW-UHFFFAOYSA-N 421.883 6.928 0 1 HKAF Cc1c(Cl)ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587109284 GCKASIMIRBPOOT-UHFFFAOYSA-N 406.757 6.348 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)cc2F)c1 587143042 KKNDZRCJPNTAMH-UHFFFAOYSA-N 422.674 6.400 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc4c(cc3[nH]2)OCCO4)c(Cl)c1 587159692 TYTYPEDRHKOVAZ-NRFANRHFSA-N 410.832 5.295 0 1 HKAF Fc1ccc(/C=C(\c2nc3cncc(Br)c3[nH]2)c2cccs2)cc1 587162350 AANCFURRYCLPSU-JYRVWZFOSA-N 400.276 5.510 0 1 HKAF CC(C)(C)[C@H](N)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587257520 DFEUSCNAPQTTJO-MRXNPFEDSA-N 408.399 5.019 0 1 HKAF C[C@@]1(c2cc(Cl)cc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327894 IBLACWGVEGXPHQ-IRLDBZIGSA-N 417.263 6.112 0 1 HKAF CCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F 587329838 FOVXFNKKONUKRO-LADGPHEKSA-N 410.416 5.343 0 1 HKAF COc1cc(C)c(C)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350234 KBGLOBQUVQENPD-UKILVPOCSA-N 406.453 5.431 0 1 HKAF Cc1ccc([C@]2(C3CCCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 587356276 ORGNKWLVNRODMA-ZCYQVOJMSA-N 406.453 5.877 0 1 HKAF COc1ccc2nc(C)c(CC[C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c(Cl)c2c1 587380214 QTTONWRWBQAEPV-XMMPIXPASA-N 424.928 5.453 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1O[C@@H]1C[C@H]3CC[C@@]1(C)C3(C)C)O2 587403595 OXPJWKWZPFGDCK-RQUAIPGMSA-N 405.538 5.877 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(C(C)C)nn(-c4ccccc4)c1Cl)[C@@H](C2)C3=O 587420223 HRRVOZGCMXCGMZ-KSFYIVLOSA-N 408.885 5.146 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Oc3ccccc3F)cc1)CC2=O 587466200 JHJHAZLENGOAFS-RUZDIDTESA-N 406.453 6.157 0 1 HKAF CCCCc1ccc([C@]2(CCCC(=O)O)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587490134 QRFWWNNRIJMTHP-SANMLTNESA-N 424.537 5.803 0 1 HKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@H](c1ccccc1)CCC[C@@H]2c1ccccc1 587526796 SKLIDWDJJPVNLP-DQCWTMQVSA-N 422.568 7.021 0 1 HKAF C[C@@]1(c2cccc(Cl)c2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545790 PMCDOYZPMOYHKQ-UTKZUKDTSA-N 401.245 5.576 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CC1CC1)c1ccc(Cl)cc1 587549679 SPXKQDNAQCNBJT-ZJSXRUAMSA-N 406.865 5.703 0 1 HKAF Cc1c(F)ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n(C)c12 587567351 GQWLUQOPIBABJL-YKSBVNFPSA-N 403.409 5.034 0 1 HKAF Nc1ccccc1[C@]1(C2CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581991 YGIXNFWKIVPGTR-RDGATRHJSA-N 401.462 5.022 0 1 HKAF CCOc1ccc([C@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587595164 JIFKACJQCUQCQO-RDGATRHJSA-N 402.446 5.058 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc([C@H]2CCCCO2)s1 587612219 LFKPFWSOHSKYFA-CGYQNGNCSA-N 408.475 5.398 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c1oc1ccccc12 587617527 QAHRBJPURSISIH-GJZUVCINSA-N 408.409 5.995 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1cccc(Cl)c1 587625740 KZJQIOSZQXCHPV-UHFFFAOYSA-N 405.725 6.398 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(Br)c2)N1 587683308 WOZFHPJGSFLLDP-BMLIUANNSA-N 413.128 5.148 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3c(F)cccc3F)o2)N1 587714491 ABQCUXQXYNTECA-WVDJIFEKSA-N 422.244 5.750 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)ccc2F)N1 587716259 ZDEIGOMGOYMJQT-PWJLMRLQSA-N 406.192 5.370 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3F)o2)N1 587728922 UHANVGFOEIOREJ-GIPWTMENSA-N 404.254 5.611 0 1 HKAF Cc1oc(-c2ccccc2)nc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587773454 INSNMFHMGKKCEZ-XUSGNXJCSA-N 415.306 5.349 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H](Cc3ccccc3)C2)N1 587818984 UCMTWBIIXTUREY-JLDZCNIISA-N 402.351 5.751 0 1 HKAF CC(C)[C@@]1(CSc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587846303 QIDLEIDXQAOYCH-VBKZILBWSA-N 408.380 5.766 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)CN1CCCCC1 587859776 LQSSHVPQPWTTBE-CQSZACIVSA-N 410.345 5.018 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2c(C)c(Cl)ccc2s1 587869141 AMQCOUYILNKZMZ-UHFFFAOYSA-N 424.835 5.533 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(-c2ccccc2)cc1 587870420 HOQYVAYUAAKULO-UHFFFAOYSA-N 416.452 5.474 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 587871107 AEIJCOVPAYGWKF-NHCUHLMSSA-N 406.501 5.829 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(C[C@H](C)c4cccc(OC)c4)[nH]c3c2)cc1 587930025 FPMOPJHYGLLLBJ-INIZCTEOSA-N 416.477 5.497 0 1 HKAF c1ccc(-c2ccccc2Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 587960338 AQYGGVOJSNPDCZ-UHFFFAOYSA-N 417.537 7.097 0 1 HKAF Cc1cc(OCc2nnc(S[C@H]3C=CCCC3)n2-c2cccnc2)ccc1C1CC1 621485614 BHMSXBKKZOUSML-NRFANRHFSA-N 418.566 5.628 0 1 HKAF COc1ccc([C@H](C)C(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC 653773267 UUFGHAYJXQWEOV-ZDUSSCGKSA-N 400.446 5.022 0 1 HKAF CN(C)C[C@H]1CCc2cc(-c3ccc(Cl)cc3)ccc2[C@]1(O)c1cccc(O)c1 653816976 KEJWDXYLHKEEOY-BWKNWUBXSA-N 407.941 5.073 0 1 HKAF Cc1ccc(C(=O)C[C@H]2C(=O)CC(C)(C)C[C@@]23NCCc2cc(C)c(F)cc23)cc1 962090363 IKSXOJPPYMFBFV-LVXARBLLSA-N 407.529 5.062 0 1 HKAF Cc1ccc(C(=O)C[C@@H]2C(=O)CC(C)(C)C[C@@]23NCCc2cc(C)c(F)cc23)cc1 962090369 IKSXOJPPYMFBFV-RLWLMLJZSA-N 407.529 5.062 0 1 HKAF CCOC(=O)CCCCCC[C@]1(c2ccc(C)cc2)NCCc2ccc(F)c(C)c21 962299379 NJSAOPXAJAXYGB-AREMUKBSSA-N 411.561 5.736 0 1 HKAF CCCCCOc1cc([C@H]2c3cc(OC)c(OC)cc3C[C@@H](C)N2C)ccc1OC 962577486 YYVSQBXHZZLUCU-NSYGIPOTSA-N 413.558 5.247 0 1 HKAF C[C@H](CC(=O)O)[C@]1(c2ccc(Cl)cc2)NCCc2cccc(-c3ccccc3)c21 962672226 WEKUBWWKOXHVBU-CRICUBBOSA-N 405.925 5.507 0 1 HKAF O=C(CCCN1CCC(O)(c2c(Cl)cccc2Cl)CC1)c1ccc(F)cc1 1857554261 HJHGQNPJVJPIQZ-UHFFFAOYSA-N 410.316 5.079 0 1 HKAF Oc1c(-c2nnc(-c3ccc(Cl)cc3)o2)cnc2ncc(-c3ccccc3)cc12 1857611308 LETGFQIDRZSOHR-UHFFFAOYSA-N 400.825 5.373 0 1 HKAF CCOP(=O)(OCC)[C@@H](Nc1cccc(C)c1)c1cc2cc(C)ccc2nc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c2ncnc(N)c21)CC[C@]1(C)[C@H](C)CC[C@]2(C)[C@H](C)C=CC[C@@H]21 2356814288 BZPUVAUDVNJIJI-HHQNKLDDSA-N 423.649 5.654 0 1 HKAF COc1ccc2[nH]cc(CCCCCCCCCCCCCCCCCCO)c2c1 3938098 GGEFAZNPFHKYLR-UHFFFAOYSA-N 415.662 7.953 0 1 HKAF COc1cc2nc(-c3ccc4c(c3)[C@@H](N(C)C)CCC4)cc(O)c2cc1-c1cnco1 13487606 MYASTKRFIDHEBN-QFIPXVFZSA-N 415.493 5.210 0 1 HKAF CCc1nc2c(n1[C@@H](CC)C(C)C)C(=O)N(C)CN2c1ccc(Cl)cc1Cl 13582798 HDCVSQRGVFDJIL-HNNXBMFYSA-N 409.361 5.541 0 1 HKAF Cc1ncccc1CN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 13738242 TWYWYAQDLCIHEK-UHFFFAOYSA-N 415.968 5.635 0 1 HKAF O=C(O)COc1c(-c2cccc(Oc3ccccc3)c2)c(=O)[nH]c2cc(Cl)ccc12 13761254 FLGOMTYJUHAJQQ-UHFFFAOYSA-N 421.836 5.104 0 1 HKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCN(C(=O)CN)C=C21 26258955 FUOPUFUPGVAHIK-ZWOKBUDYSA-N 414.590 5.031 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](C)C[C@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 27303110 DHZJVHCWDITFSE-LFBBTVOLSA-N 401.679 6.832 0 1 HKAF CCCOc1ccc(OC(=O)c2ccccc2Nc2ccnc(C(F)(F)F)c2)cc1 28397020 YIGWSUHQNXJYSB-UHFFFAOYSA-N 416.399 5.852 0 1 HKAF COc1ccc(OC)c(CCCCCCCCCCCCCCCCCCO)c1 40564816 WUMDIBLDWHYZTM-UHFFFAOYSA-N 406.651 7.480 0 1 HKAF O=C(Nc1cccc(-c2ccccc2)c1)[C@H]1CC(=O)N(C23CC4CC(CC(C4)C2)C3)C1 40575555 JBZUFNCJWCEZEZ-OZZUTDSSSA-N 414.549 5.109 0 1 HKAF O=C1CC2(N3CCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 40576413 SPFNPXDDHRPGQO-CQNRZJDLSA-N 414.376 6.078 0 1 HKAF COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(-c3ccccc3)nc1)CC2 40631989 YZMVQHLWBGNVSJ-UHFFFAOYSA-N 413.399 5.371 0 1 HKAF Cc1cccc2nc(-c3cccc(-c4cccc(CNCCc5cccn5C)c4)c3)[nH]c12 45321972 DMITUWOFQZDMAF-UHFFFAOYSA-N 420.560 5.876 0 1 HKAF Nc1nc(Nc2cccc(F)c2)c2cc(Cc3ccc(Cl)cc3Cl)[nH]c2n1 49112093 QUIDZUWCCTZDCX-UHFFFAOYSA-N 402.260 5.320 0 1 HKAF O=C(O)CCCN1CCCC[C@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 49124591 LHVWRDUSOBRVEA-SFHVURJKSA-N 403.906 5.230 0 1 HKAF O=C(Nc1ccccc1)c1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1 49807969 VGWMTCDNPQOVPX-UHFFFAOYSA-N 415.496 6.459 0 1 HKAF CC(C)[C@H](c1ccc(Cl)cc1)c1nc2c(C(F)(F)F)cccc2c(C(=O)O)c1O 58583948 ZGZLDIYOVSIDTR-OAHLLOKOSA-N 423.818 6.099 0 1 HKAF CC(C)(C)c1cccc(Nc2nc3cc(Oc4ccnc(C(N)=O)c4)ccc3s2)c1 71334345 PFBMPRTYJZBTQO-UHFFFAOYSA-N 418.522 5.624 0 1 HKAF CCOc1ccccc1-c1nc(C(=O)NCc2cccc(OC(F)(F)F)c2)cs1 82074813 CJAUGDHFYAFKPG-UHFFFAOYSA-N 422.428 5.037 0 1 HKAF O[C@H](c1cccc(OC(F)(F)F)c1)c1nnc(Nc2ccc(F)c(Cl)c2)s1 82083191 GFBVEIYPPVHGLW-CYBMUJFWSA-N 419.787 5.055 0 1 HKAF CC(C)Cc1ccc([C@@H](C)C(=O)N2CCC[C@H]2C(=O)OCCCc2ccccc2)cc1 103284219 ROMCHEBCESHYSR-BWKNWUBXSA-N 421.581 5.156 0 1 HKAF CC(C)CC[C@@H](O)[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118919744 LMMRHWWBNFVJIU-JVUCSCJYSA-N 404.679 6.584 0 1 HKAF Cn1c2ccccc2c2cc(CCCOc3ncccc3-c3cccnc3F)cnc21 169337414 DQQCCJWBUXBZQY-UHFFFAOYSA-N 412.468 5.334 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)C3=CC[C@@]21C 255197570 AZXDOKXVRMMDJJ-QCJGBBHWSA-N 414.674 6.526 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257785078 ZNGXDHQRMXNICE-QVJUQYADSA-N 402.707 7.859 0 1 HKAF endogenous,in-man COc1cc(C(=O)c2c(-c3ccccc3)[nH]c3ccc(F)cc23)cc(OC)c1OC 473106846 YCEMOWJINKGSAL-UHFFFAOYSA-N 405.425 5.231 0 1 HKAF Cc1cc(-c2nc3c(O)c(Br)ccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586878668 ILNOFIVQDJASMX-UHFFFAOYSA-N 423.266 5.372 0 1 HKAF N[C@H](Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 586997369 QDKKRSMFMIBZAJ-GFCCVEGCSA-N 416.266 5.180 0 1 HKAF Brc1c[nH]c2nccc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c12 587004408 UNHLUKWJTLXOMB-UHFFFAOYSA-N 421.323 6.020 0 1 HKAF CC(C)n1c(-c2nc3c(Cl)nccc3[nH]2)cc(Br)c1Br 587005428 VWYOJFLWQBZEOT-UHFFFAOYSA-N 418.520 5.186 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 587075910 OJYRWTHMEYXWHM-UHFFFAOYSA-N 408.836 5.989 0 1 HKAF COc1ccc(-c2nc3c(C)ccc4c3c(c2CCC(=O)O)-c2ccccc2C4=O)cc1 587097354 LSGRJDJAMKZJEY-UHFFFAOYSA-N 423.468 5.447 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H]1CN(Cc2ccccc2)C[C@H]1CC3 587106017 KBRCBVKGQDYUPI-DVECYGJZSA-N 416.524 5.608 0 1 HKAF COc1cc(-c2nc3ccc(SC)cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144400 VGOBYZNVEQFTBQ-UHFFFAOYSA-N 408.454 5.465 0 1 HKAF Fc1ccc(-c2ccccc2-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1F 587146112 ZVWNNOJKMJNYLG-UHFFFAOYSA-N 421.191 6.216 0 1 HKAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(CC)cc3[nH]2)c1C 587166090 SKUCBIXGQNKUBM-UHFFFAOYSA-N 419.500 5.461 0 1 HKAF CC(C)(C)[C@@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340242 XLINLELQHZGXQT-DHLKQENFSA-N 408.444 5.971 0 1 HKAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1cccc(Cl)c1 587377031 FUPOXENLLVYWLB-JOCHJYFZSA-N 423.896 5.525 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1nc(-c3cc(C)c(OC)c(C)c3)cs1)CC2=O 587494669 LPMONAAQZNRELQ-NRFANRHFSA-N 423.534 5.800 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587513682 KXXNCCXJRQKEHF-SANMLTNESA-N 419.521 5.571 0 1 HKAF C[C@@]1(Cc2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547043 RZTASFXTWKBMAF-UGKGYDQZSA-N 415.272 5.662 0 1 HKAF CC(C)C[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587548899 RABUMRYTXBPKFW-XUZZJYLKSA-N 408.881 5.949 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1cccs1)c1cccs1 587612174 KSVFZZNHWUYTRE-OFNKIYASSA-N 420.511 5.615 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(-c3ccccn3)c2c1 587638262 DTOFBKSHLHKPPM-HNNXBMFYSA-N 405.339 7.173 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cccc(C(F)(F)F)c1 587655288 ANLDQFDVDWMXSV-UHFFFAOYSA-N 402.322 5.350 0 1 HKAF O=C(CC12CC3CC(CC(C3)C1)C2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659771 CTRZBROGZOFEPR-UHFFFAOYSA-N 416.496 5.449 0 1 HKAF Cc1cc(Br)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587680844 QQKMTBQAWHIKMM-QGHHPUGFSA-N 413.128 5.283 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCOc3cc(Cl)ccc32)N1 587692418 BIBJDRYCJSKJMA-WYRIXSBYSA-N 410.714 5.192 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C(\Cl)c2ccc(Cl)cc2)N1 587694856 AQGPJYQKJFGIIJ-ZHXZKALHSA-N 415.133 6.097 0 1 HKAF CC(C)Cn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587756820 MHXBKKXOUUYKAM-RCDICMHDSA-N 415.350 5.823 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3ccccn3)c2)N1 587772428 NUCJOZYKDRUYQW-ZSEKCTLFSA-N 413.290 5.399 0 1 HKAF Cc1ccc(C2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587813394 BZELNGLWLXJECC-KRWDZBQOSA-N 424.357 6.031 0 1 HKAF CCc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 587828540 ODLSGVUWQHFXNK-DMZKTXOQSA-N 414.318 6.034 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(O)c2)N1 587834682 STAMRTIIGNTYFO-PEBXRYMYSA-N 412.302 5.120 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(O)cc2)N1 587835968 YVPCAJNZTDFJRM-PEBXRYMYSA-N 412.302 5.120 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/[C@@H]2C(C)(C)CC[C@@H]3O[C@]32C)N1 587838796 PKAIHBMQSVWXHX-FZHPWDJYSA-N 422.382 5.488 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(Cl)c(OC)c(Cl)c1 587870023 XYYPMESTIQVIMP-UHFFFAOYSA-N 409.244 5.092 0 1 HKAF COc1ccc2c(c1)[C@@]1(C[C@@H](C)c3c(Br)cccc31)N(C(C)C)CC2 962088314 GAMJFKABCWFBGD-QRQCRPRQSA-N 400.360 5.475 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CC(=O)c2ccccc2O)(c2ccccc2)N1 962946768 JEODYUVQBNHEMM-UZTOHYMASA-N 410.517 5.314 0 1 HKAF CCc1ccc([C@]2(c3ccc(Cl)c(Cl)c3)NCCc3nc4ccccn4c32)cc1 962988198 XEMNMWOTNIHQFB-XMMPIXPASA-N 422.359 5.641 0 1 HKAF Fc1cccc(CC[C@]2(c3ccccc3Cl)c3c(F)cccc3C[C@@H]3CCCN32)c1 963098323 GLWLUBNUZUSMCT-LVXARBLLSA-N 423.934 6.515 0 1 HKAF O=C(O)[C@@H]1CCCC[C@@H]1C[C@@]1(c2ccccc2)c2ccc(F)cc2C[C@H]2CCCN21 963114527 VNJBONRQKVVRDX-HATPXFROSA-N 407.529 5.371 0 1 HKAF Cc1cc(-c2nc(-c3ccc(Cl)c(F)c3)n3c2CCO[C@H](C)C3)cc(CF)n1 1772639446 GHBKYODAIPLIOA-CYBMUJFWSA-N 403.860 5.144 0 1 HKAF CN(C)CCOc1ccc(N[C@@H]2Cc3ccccc3CSc3ccccc32)cc1 1857632044 YXKKNTACSGAWFM-XMMPIXPASA-N 404.579 5.629 0 1 HKAF COc1ccc(N(C)c2cc3oc(-c4ccc(Cl)cc4)nc3c3ccccc23)cc1 1857633578 LKAVUEHFOKDPEE-UHFFFAOYSA-N 414.892 7.078 0 1 HKAF C[C@@H](C=C[C@@H](C)C(C)(C)O)[C@H]1CC[C@@H]2C(=CC=C3C[C@@H](O)CC[C@H]3C)CCC[C@]21C 2356459215 CJYKTRYRFPHSGB-WOABFALGSA-N 414.674 6.836 0 1 HKAF C[C@H]1CC[C@]2(NC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 2356460030 HOEJSFZVOUECLS-FLCGVFMCSA-N 414.678 5.333 0 1 HKAF CC(=CCC(=O)c1ccoc1)CCC=C(C)CCC[C@H](C)C=C1OC(=O)C(C)=C1O 2356479753 CKJBDJSJRRIADF-IBGZPJMESA-N 412.526 6.604 0 1 HKAF C[C@H]1CC[C@@]2(C)[C@@H](C)[C@@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1 2356484994 OTNXWKXFAAUSLG-YKFKSESESA-N 411.674 6.045 0 1 HKAF CC[C@H](CO)Oc1cc(NCc2ccc(Cl)c(Cl)c2)c2ncn(C(C)C)c2c1 61948988 WFEDPQHGIMPNQQ-OAHLLOKOSA-N 422.356 5.686 0 3 HKAF O=C1CCC[C@H]2[C@@H](Cc3ccccc3)[C@@H](NCc3cccs3)CC[C@]23CCCN13 206041065 RFUWYIBYWPMILJ-KNAFXUBQSA-N 408.611 5.020 0 3 HKAF CC(C)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1c(F)cccc1Cl 2485011 JWZXRQXWAWRTNJ-UHFFFAOYSA-N 407.272 5.840 0 1 HKAF O=C1c2ccccc2N[C@]1(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 5593690 FGKFEGYYEYHMQQ-MUUNZHRXSA-N 400.481 6.387 0 1 HKAF Oc1cc(Cc2ccccc2)nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn12 5650027 HDJPHNRWOFTXDI-UHFFFAOYSA-N 403.791 5.365 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCCC(=O)O 8860427 HZMSBMNSIHSLPJ-KUBAVDMBSA-N 413.602 6.445 0 1 HKAF COc1cc(OC)c2c(c1)[C@@H](CCCCCC[C@H]1CC[C@]3(CC[C@H](C)O3)O1)OC2=O 13367430 MDVWGBKYBVEXHU-OGPHDPQKSA-N 418.530 5.330 0 1 HKAF CCCc1nc(N(CC)c2ccc(Cl)cc2Cl)n2ccnc(N(CC)CC)c12 13437385 IIOLNJSSBZAUDM-UHFFFAOYSA-N 420.388 5.993 0 1 HKAF Cc1c(CCOC(=O)C23C[C@H]4C[C@H](CC(C)(C4)C2)C3)sc[n+]1Cc1ccccc1 13482719 NMPIQEMXHYLNAB-JUJAOGAQSA-N 410.603 5.085 0 1 HKAF Nc1ccccc1Sc1ccc2c(n1)CNC(=O)N2c1c(Cl)cccc1Cl 13587249 ZNFIGEGQPUKMLM-UHFFFAOYSA-N 417.321 5.483 0 1 HKAF O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc(-c3ccccc3)c1)c1ccccc1CO2 13727062 RXBLYQBASIGYKD-WSDLNYQXSA-N 408.457 5.273 0 1 HKAF CC1=C(CC/C(C)=C/CCC2=CC[C@H](C3=CC(=O)O[C@@H]3O)OC2=O)C(C)(C)CCC1 26567382 HGIGODMMBPJRDK-SWWBYZIZSA-N 414.542 5.063 0 1 HKAF NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(Cl)c(-c2ccc(Cl)cc2)c1 29215407 VNDLPKRIJHYLKK-FQEVSTJZSA-N 419.352 5.215 0 1 HKAF CCC/C=C(\CCC)[C@@H](NS(=O)(=O)c1cccs1)c1ccc(C(=O)OC)cc1 34148371 YHWFKGRHVXBCSC-RIMDVYMRSA-N 421.584 5.081 0 1 HKAF CC(C)c1ccccc1Sc1c(O)cc(-c2cccc(-c3ccccc3)c2)oc1=O 36124528 GSXFLFVGWYFRBW-UHFFFAOYSA-N 414.526 6.954 0 1 HKAF Fc1ccc(-c2[nH]c(SC(F)(F)C(F)F)nc2-c2ccc(Cl)cc2)cc1 40504852 AFMSZTOJUSWUOC-UHFFFAOYSA-N 404.791 6.486 0 1 HKAF OC[C@@H](O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl 40566005 ILRRFUUZEJIVDE-HXUWFJFHSA-N 419.304 5.177 0 1 HKAF Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)[C@@H](C)CN(C)C)cc4)c3)nc12 45188536 FQWQXDBLJUAVPS-SFHVURJKSA-N 412.537 5.342 0 1 HKAF CCOc1ccccc1-c1nc(CN(Cc2ccccc2)[C@H](C)c2ccccc2)co1 72182520 IAHSUFRZPUCYRX-OAQYLSRUSA-N 412.533 6.504 0 1 HKAF CC[C@H](C)Nc1ncc(C(=O)N(CC)Cc2ccccc2)c(-c2cccc(C)c2)n1 82147765 VFXVHQPTHYLNJY-IBGZPJMESA-N 402.542 5.325 0 1 HKAF Cc1cnc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccc(-c3ccccc3)cc2)o1 82176360 CYJMTRORYIIMNU-UUOWRZLLSA-N 424.548 6.765 0 1 HKAF Cc1c(CCC(=O)O)c(=O)oc2cc(OCc3ccccc3-c3ccccc3)ccc12 95577926 BGTCTHFGFFJJOR-UHFFFAOYSA-N 414.457 5.365 0 1 HKAF CCCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3cc4c(cc32)OCO4)cc1 103656997 LQFCXTIDYZUQPJ-QHCPKHFHSA-N 405.494 6.054 0 1 HKAF Cc1ccc(N(Cc2cccc(C)n2)C(=O)c2sc3ccccc3c2Cl)c(C)c1 144712553 KEMPDYWILOLVBL-UHFFFAOYSA-N 420.965 6.722 0 1 HKAF Cc1nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn2c1-c1ccn[nH]1 146967011 LBWPUVQYKMNKBT-UHFFFAOYSA-N 420.520 5.100 0 1 HKAF C[C@@H](Oc1ccc2ncc(/C=C\C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl 210620810 OIOZTIQUNWLFQV-IGVIJBNESA-N 405.256 5.319 0 1 HKAF CC[C@@H](C)C(=O)O[C@H]1C=C2C(=O)O[C@H](c3ccoc3)C[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12 238750982 ZFDAAVKPAWSDTE-MPNCPCASSA-N 414.542 5.614 0 1 HKAF O=C(/C=C/c1ccc(O)cc1)O[C@@H](CCCCCCO)CCCCCCCCCO 238758394 YCRUHXDBZDORLV-KRNATXNASA-N 420.590 5.373 0 1 HKAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)O[C@@H]3[C@@H](C)CCC[C@H]3C)CN(C)[C@@H]1C2 253648206 WRVDEIUJUYJDJD-HNUXCATISA-N 422.613 5.550 0 1 HKAF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2C(=O)n1ccc2ccccc21 253861110 ZKJLGJLBCWOCRC-BMXRGQFUSA-N 416.565 5.195 0 1 HKAF Cc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1NC(=O)c1cnoc1C 473247492 DJSJNZJHHRBIHS-UHFFFAOYSA-N 419.268 5.495 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(Cl)cc(Cl)cc4[nH]3)cc2)CC1 586880501 LMXSHOZGROUTBI-WKILWMFISA-N 401.381 8.001 0 1 HKAF O=[S@@](Cc1nc2cc(Cl)c(Cl)nc2[nH]1)C(c1ccccc1)c1ccccc1 586957635 AGJXIIWFYRTWPL-MHZLTWQESA-N 416.333 5.303 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2cc3ccccc3cc2[nH]1 586980629 BTKMSJQTUSKQQW-UHFFFAOYSA-N 402.295 6.245 0 1 HKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc3c(c2[nH]1)CCCC3 586982755 PPSFWNMDXUACSB-GOSISDBHSA-N 411.387 6.577 0 1 HKAF Cc1cc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2cc1Cl 587021415 MVIBOJBYBVBBMM-UHFFFAOYSA-N 417.925 6.454 0 1 HKAF COc1cc(OC)c2[nH]c(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)nc2c1 587047261 VIJLCNGSONNBLE-SREVYHEPSA-N 416.905 5.447 0 1 HKAF O=C(Cc1ccc(Cl)cc1)c1nc2c(C(F)(F)F)cc(Br)cc2[nH]1 587072743 WBZFNCNDZCNVSE-UHFFFAOYSA-N 417.612 5.423 0 1 HKAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)n1 587080630 RMRJANPODKJVEL-ZETCQYMHSA-N 421.648 5.832 0 1 HKAF Oc1ccccc1-c1cc(-c2nc3cc4cn[nH]c4cc3[nH]2)c2cccc(Cl)c2n1 587082181 HCJLROQPZKIWEG-UHFFFAOYSA-N 411.852 5.680 0 1 HKAF COC(=O)c1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2cn1 587082249 KPQFHVCEEUUCAQ-UHFFFAOYSA-N 414.852 5.280 0 1 HKAF Cc1cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2cc1Br 587093972 WTYFGFFDERRCBW-UHFFFAOYSA-N 423.154 6.338 0 1 HKAF Nc1cc(Br)ccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587100923 BODHZDDVFWRWEF-UHFFFAOYSA-N 401.263 5.458 0 1 HKAF FC(F)(F)c1ccc2ncc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)cc2c1 587112482 NDQVUFWGAUZNDF-UHFFFAOYSA-N 405.379 6.589 0 1 HKAF Cc1nc2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc2cc1Br 587113647 WIHHUDMYFXZAQC-UHFFFAOYSA-N 407.193 5.263 0 1 HKAF COc1c(F)ccc(F)c1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587132919 LNJLYALWPHNAEN-UHFFFAOYSA-N 423.135 5.178 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cccc(C(F)(F)F)c3[nH]2)c(Cl)c1 587159936 YWRJNDLELUDVOD-LJQANCHMSA-N 420.793 6.543 0 1 HKAF Fc1ccc(/C=C(\c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c2cccs2)cc1 587164663 UURAWYRYCPITQM-JYRVWZFOSA-N 406.379 6.510 0 1 HKAF O=C1c2ccccc2-c2cc(CC(=O)C34CC5CC(CC(C5)C3)C4)nc3cccc1c23 587207435 KSDJJGSEOYKTBL-UHFFFAOYSA-N 407.513 5.774 0 1 HKAF CCC[C@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354590 OAZONAANEZIIBV-AOYPEHQESA-N 404.481 6.062 0 1 HKAF Cc1coc2c1[C@@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358621 WVAWRXBBULUXCA-WIOPSUGQSA-N 406.453 5.660 0 1 HKAF CCSc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587368926 BONYAGQJVDGKQP-ISKFKSNPSA-N 408.494 5.918 0 1 HKAF CSc1ccccc1C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587371202 BKHASMQBCLOTKT-VWNXMTODSA-N 408.494 5.614 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4Cl)nc1C(C)(C)C)[C@@H](C2)C3=O 587421588 URUHFZSYSUXQQD-NYHFZMIOSA-N 422.912 5.321 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(Cc3ccc(C)cc3)c1Cl)CC2=O 587459645 FDWXKJGHXNKYEU-NRFANRHFSA-N 424.928 5.566 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1ccc(Cl)cc1)(c1ccc(C)cc1)CC2=O 587463257 UMRWBZHLCZETAD-SANMLTNESA-N 420.936 6.410 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1c(N)sc(C)c1C)CC2=O 587492455 PKKXKZYYYJMSNE-RUZDIDTESA-N 421.562 5.823 0 1 HKAF CC(C)(C)OC(=O)Nc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511031 IKKXUHMESOANPH-VWLOTQADSA-N 407.510 5.793 0 1 HKAF O=C(O)c1ccc(COc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)o1 587529422 BZNCCLBOQRIZET-QHCPKHFHSA-N 418.445 5.142 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)cc1Cl 587550657 VUOJDYRQCYOJGQ-YLJYHZDGSA-N 420.770 5.767 0 1 HKAF Nc1ccccc1[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587579764 PFTUJTLLKFLRKL-IGKIAQTJSA-N 423.468 5.074 0 1 HKAF CC(C)=CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587597817 RYIYYBZDVRKYNF-WIOPSUGQSA-N 402.446 5.440 0 1 HKAF Cc1c(F)ccc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n(C)c12 587731781 ZWOHGJXXBFEAJM-DGIBIBHMSA-N 405.286 5.151 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(F)cc2)N1 587733482 LQWOYLLQVYFGSG-PEBXRYMYSA-N 414.293 5.553 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccnc1 587754295 XXBHLTXMBNNJBP-GTJPDFRWSA-N 414.322 5.014 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)CCc3ccccc32)N1 587824082 UAWQSZJALPFVMI-PEBXRYMYSA-N 402.351 5.729 0 1 HKAF Cc1nc(-c2ccccc2Cl)sc1COc1ccc2c(c1)OC[C@H]2CC(=O)O 653740472 SCUUJKJVSKPVEP-CYBMUJFWSA-N 415.898 5.302 0 1 HKAF Cc1ccc([C@]2(c3ccsc3)c3ccsc3CCN2Cc2cccn2C)c(C)c1 962372960 KOXBXPQFKKVGRA-RUZDIDTESA-N 418.631 6.115 0 1 HKAF C[C@@H](C(F)(F)F)[C@@]1(c2ccccc2)c2ccsc2CCN1Cc1cccn1C 962396399 GSVNBRNEIHVHSX-IIBYNOLFSA-N 404.501 5.587 0 1 HKAF Cc1ccc(C)c([C@@]2(C3CC3)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c1 962641070 NEQGFQIDSADXGR-GGXMVOPNSA-N 408.589 5.704 0 1 HKAF FC(F)C(F)(F)Oc1ccc([C@@H]2c3ccsc3CCN2Cc2ccco2)cc1 962704210 JKCGOMGJHMRMIW-GOSISDBHSA-N 411.420 5.726 0 1 HKAF CCCCC[C@]1(CCCCC(=O)O)c2cccc(F)c2CCN1[C@@H]1CCSC1 962720232 ZZANPCKRRYJMDV-JPYJTQIMSA-N 407.595 5.610 0 1 HKAF Cc1cc2c(cc1O)[C@@]1(CCCCCCCCCCCC[C@H](C)C1)N[C@H](C(=O)O)C2 963473117 RDMMZKDFIMKTJF-CZZAQMAHSA-N 415.618 6.216 0 1 HKAF CCN(Cc1ccccc1)C(=O)Nc1sc(-c2ccc(Cl)cc2)cc1C(=O)O 1857597573 DSEWZCBWQLWXPR-UHFFFAOYSA-N 414.914 5.821 0 1 HKAF C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@H]3[C@]1(C)[C@H]2C 2356329162 VPLTWAWMSJNNFM-VNLQQCMCSA-N 416.646 5.794 0 1 HKAF CC(C)[C@H](C)[C@H](C)C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@@H]3CC[C@@]12C 2356439055 CMXHVJSZSBTYDB-RGHKVTPESA-N 402.707 7.571 0 1 HKAF CC=C(C)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)O[C@](C)(CC(=O)O)CC[C@@H]12 2356515075 ZKBZRVVQDYSKMH-WQQXMJQNSA-N 420.590 5.521 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356715828 SJZZRXMQSAXCFD-UXVFARFYSA-N 418.662 5.763 0 1 HKAF CC1=C[C@H](CNCc2ccccc2)[C@@H](C(C)C)C[C@@H]1Cc1nc2cccc(C)c2[nH]1 2356761301 VSXOCJFQZLURFB-WXFUMESZSA-N 401.598 6.058 0 1 HKAF COc1ccc(-c2nc3c4ccccc4ccn3c2CC2CCCCC2)cc1OC 95566568 NTOKSUJDYIEHBD-UHFFFAOYSA-N 400.522 6.295 0 3 HKAF O=C1CS[C@@H](c2cccc(Oc3ccccc3)c2)N1c1cccc(Cl)c1Cl 1659498 QTKLNROWACUSNV-NRFANRHFSA-N 416.329 6.564 0 1 HKAF Brc1ccc(Cn2ccc3nc(-c4cccc5ccccc45)nc-3c2)cc1 3937408 JEZQKDRQFVEXFY-UHFFFAOYSA-N 414.306 6.014 0 1 HKAF Cc1c(O)cc2c(c1C)O[C@@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)CC2 11616760 QUEDXNHFTDJVIY-WENCSYSZSA-N 416.690 8.532 0 1 HKAF endogenous,world Cc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H](c3ccccc3)C=C[C@H]2c2ccccc2)cc1 13133246 NOCDKRIOXMJXFY-QORCZRPOSA-N 411.501 5.388 0 1 HKAF CCC[C@H](C)n1c(CC)nc2c(-c3ccc(SC)cc3C(F)(F)F)ccnc21 13479611 OBVUVECLSXLURW-ZDUSSCGKSA-N 407.505 6.763 0 1 HKAF COc1ccc(CN2CCC(CCC(=O)c3ccc(N4CCCC4)cc3)CC2)cc1 13738626 OPIPMYYAYGLUQQ-UHFFFAOYSA-N 406.570 5.171 0 1 HKAF O=C1C[C@](CC2CCCC2)(c2ccccc2)OC(=O)[C@@H]1SCCc1ccccc1 13766492 HVMPLIFPUAEMOK-ILBGXUMGSA-N 408.563 5.323 0 1 HKAF CC(C)(C)c1ccc([C@@H](NC(=O)Nc2cccc3cnccc23)c2ccccc2)cc1 14973646 DEWCFRDHQWMXET-VWLOTQADSA-N 409.533 6.443 0 1 HKAF O=Cc1nn(-c2cccc(Cl)c2)c2c1CCC[C@@H]2Cc1cccc2ccccc12 26574575 XJFXCIORBMBQPR-LJQANCHMSA-N 400.909 6.154 0 1 HKAF CCCCOc1ccc(CN(CCCCN)Cc2ccc(OCCCC)cc2)cc1 27715646 UEYDGSOXNLYQJP-UHFFFAOYSA-N 412.618 5.786 0 1 HKAF CC1=NC(C)=C(C(=O)O)[C@@H](c2cccc(Cl)c2)/C1=C(\O)OC/C=C/c1ccncc1 28568457 PILPHPXQNHOVSI-NTLZVRNFSA-N 424.884 5.151 0 1 HKAF CCC(CC)=C(c1cc(Cl)ccc1OCc1ccc(Cl)cc1)n1cncn1 28766472 RXGPGXSXDUMOPV-UHFFFAOYSA-N 402.325 6.243 0 1 HKAF COc1ccc([C@@H](c2cccs2)c2ccccc2OCCN2CCCCC2)cc1 29130835 FYMJDDUQYRAIIA-RUZDIDTESA-N 407.579 5.802 0 1 HKAF CO[C@@H]1OCC2=CC[C@H]3[C@@](C)([C@H]21)[C@H](O)C[C@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@]13C 40576483 BIJAKZXAJWXIHK-NBNYNLOQSA-N 402.619 5.571 0 1 HKAF CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1C(F)(F)F 48998239 JQIVPOOMUFGMRU-UHFFFAOYSA-N 419.447 5.322 0 1 HKAF in-vitro CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1nnc(-c2ccccc2)o1 58608897 QNOGFWABIAKDCW-OALUTQOASA-N 424.291 5.719 0 1 HKAF CN1C(=O)[C@@H](c2ccccc2)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 66252189 RXVFRMXAXTXYKU-HXUWFJFHSA-N 410.395 5.130 0 1 HKAF in-vivo C(=C/c1ccccc1)\CN1CCN(Cc2coc(-c3cccc4ccccc34)n2)CC1 72103655 FLTXNUYOICVEKY-JXMROGBWSA-N 409.533 5.326 0 1 HKAF CSc1nc(NCc2ccccc2F)c2cnn(C[C@H](C)c3ccccc3)c2n1 72122846 UJKRVNQXSJVFMA-HNNXBMFYSA-N 407.518 5.103 0 1 HKAF CC(C)c1cccc2c1[C@@H](CCC[C@@H]1c3c(cccc3C(C)C)CCN1C)N(C)CC2 73129720 PRFDDGBZIRABCH-KAYWLYCHSA-N 418.669 6.862 0 1 HKAF Fc1ccccc1-c1cc(COc2ccccc2-c2nc3ccccc3s2)on1 84704129 OXICZMCHMRMMHP-UHFFFAOYSA-N 402.450 6.336 0 1 HKAF CC1CCC(NCc2ccc3c(c2)CC2=C(c4ccc(C(=O)O)cc4)N=N[C@@H]23)CC1 87612895 JSRJBXPQZKBIIB-AVOWJZEKSA-N 401.510 5.527 0 1 HKAF COc1ccc(-c2cc([C@@H]3[C@H](c4ccc(Cl)cc4)C[C@H]4CC[C@H]3N4C)on2)cc1 100985459 MZBDCJWEXVZTQQ-USHXRURQSA-N 408.929 5.738 0 1 HKAF CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2cccs2)C2=C(O)CC(C)(C)CC2=N1 104691734 UGDGNTGXOOQYLY-OAQYLSRUSA-N 407.539 5.535 0 1 HKAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(/C=C1\SC(=O)N(Cc3ccccc3)C1=O)O2 169326816 JQOOJLVSLYKVKX-CRCAMNAQSA-N 423.534 5.181 0 1 HKAF CCOC(=O)c1cc(-c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)on1 169350117 QGAANQULGNUYGR-UHFFFAOYSA-N 405.237 5.077 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](N=O)CC[C@@]43C)[C@@H]1CC=C2n1cnc2ccccc21 169684387 JFQDOBQYQYTFQA-PAASFTFBSA-N 401.554 6.585 0 1 HKAF CC(C)C[C@@H]1C[C@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](CO)CC[C@]4(C)[C@H]3CC[C@@]21C 255286117 YXRSFKUSRCRXBY-NMRYAMACSA-N 400.691 7.182 0 1 HKAF O=C(c1ccccc1)c1ccc2[nH]c(-c3cc(Br)ccc3Cl)nc2c1 327266291 FCOSTLYDKKZUMD-UHFFFAOYSA-N 411.686 5.877 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c(-c3c(C)ccc4ccccc34)nc2c1 586883197 IFPBQMGUHFHCJJ-UHFFFAOYSA-N 409.283 5.631 0 1 HKAF Fc1cc(F)c2[nH]c(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)nc2c1 587022359 XKVMJGYUCVCRRC-UHFFFAOYSA-N 405.433 5.770 0 1 HKAF COC(=O)c1cc2[nH]c(-c3cc(-c4cccc(C=O)c4)ccc3Cl)nc2cc1OC 587049172 HTQBBHXGPAHJHL-UHFFFAOYSA-N 420.852 5.158 0 1 HKAF Cc1c(-c2ccc(-c3ccccc3)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099675 RUALOVGIUNDYSK-UHFFFAOYSA-N 411.504 7.397 0 1 HKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(Cl)c2[nH]1 587111975 CIZZBTQRNZZPCV-VIFPVBQESA-N 417.656 6.344 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2c1 587116011 JOPMSYHQTDGFPW-UHFFFAOYSA-N 416.712 5.864 0 1 HKAF CCCCOc1cc2nc(/C=C\c3ccc(F)cc3F)[nH]c2cc1Br 587148014 FAXZEUGTSVBVQW-ALCCZGGFSA-N 407.258 5.953 0 1 HKAF CC(C)Oc1ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 587158145 GBFFDDQYOFYSCY-QFIPXVFZSA-N 410.876 6.311 0 1 HKAF O=C1c2ccccc2-c2c(Cc3ccccc3)c(Cc3ccccc3)nc3cccc1c23 587205601 CPJRTTIKDBIZOU-UHFFFAOYSA-N 411.504 6.628 0 1 HKAF CNc1cccc(-c2cccc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c2)c1 587233806 ATOHAMIKJUJFIV-UHFFFAOYSA-N 414.253 5.979 0 1 HKAF C[C@@]1(c2c(Cl)[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334067 XBYDFAWZJWTQJV-GBXCKJPGSA-N 421.855 5.940 0 1 HKAF CCCc1ccc([C@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587352927 KFQMNCPILDECQF-BDYUSTAISA-N 418.508 6.394 0 1 HKAF C[C@]1(c2ccccc2)CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587353214 OFVKFIGMIAMAIO-AYRHNUGRSA-N 402.465 5.771 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Br)c(C(F)(F)F)c1)O2 587381098 FOQKINGPGNITEA-KRWDZBQOSA-N 414.221 5.239 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(-c3ccc(C(F)(F)F)cc3)n1)O2 587382674 NTFIDKJEDRXWJA-KRWDZBQOSA-N 404.413 5.426 0 1 HKAF COc1cc(OC)cc(Oc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c1 587399863 NBVJVMSJVNFYBB-QHCPKHFHSA-N 405.450 5.093 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(C(C)(C)C)cc(Br)c1F)[C@@H](C2)C3=O 587424807 VLXLQYJXDGMXKC-VBKZILBWSA-N 419.290 5.383 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cc(C)ccc1C)(c1ccccc1Cl)CC2=O 587463188 WGACOIKGXSDBLY-SANMLTNESA-N 420.936 6.524 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)cc(Br)c(F)c1F)CC2=O 587465567 IEOJUVNLFGFXBA-CQSZACIVSA-N 415.205 5.231 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)[nH]c(-c3ccco3)nc1=S)CC2=O 587493632 TYBVDYVFGDELJQ-QFIPXVFZSA-N 410.495 5.246 0 1 HKAF O=C1C[C@H](c2cc(Cl)ccc2OCc2cccnc2)Oc2c1ccc1c2CCCC1 587503418 ULPCAWYZRRSKNO-XMMPIXPASA-N 419.908 5.899 0 1 HKAF O=C1C[C@@]2(CCc3cc(F)cc(Br)c32)Oc2c1ccc1c2CCCC1 587510805 WUVATYNCVHXMDU-OAQYLSRUSA-N 401.275 5.274 0 1 HKAF CC(C)(C)c1cc2c(c([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c1)CCC2(C)C 587526609 VWKLDKREIULSHU-GDLZYMKVSA-N 416.605 6.967 0 1 HKAF O=C1C[C@@](c2ccc(-c3ccccc3)cc2)([C@H]2CCCO2)Oc2c1ccc1c2CCCC1 587535112 IPQDSOPKNXSYDU-XRKRLSELSA-N 424.540 6.272 0 1 HKAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br 587541095 SQHDZUZZHLPTBR-RXVVDRJESA-N 411.251 5.166 0 1 HKAF CC[C@H](C)n1nc(C)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542839 AHWCTQCDFZRHLZ-KRYGIPSASA-N 412.873 5.224 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(C(F)(F)F)ccnc1Cl 587550319 UQVADXMRZDCZCH-YJBOKZPZSA-N 421.758 5.162 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)F)c(C(=O)c3ccc(F)cc3)c2c1 587641155 KSLSKXIAWRTBOD-NSHDSACASA-N 413.361 6.706 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccc(Cl)cc3Cl)c2c1 587642364 RGXZZNRDGOVXME-NSHDSACASA-N 404.293 6.006 0 1 HKAF COc1cccc(C)c1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587786304 KACNWHVKKOTMDB-UHFFFAOYSA-N 423.310 5.888 0 1 HKAF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(C)C 587791891 JIVMXLKALUXURU-ASSNKEHSSA-N 422.338 5.255 0 1 HKAF Cc1c(C)c(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C 587816234 VNSFPDWTMYMCKC-XFNZEKPQSA-N 404.367 5.928 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCc1ccc(OC)cc1 587858916 PIJWRXXLJYQHMZ-UHFFFAOYSA-N 419.308 5.537 0 1 HKAF O=C(O)c1cc(Br)cc2nc(Cc3ccccc3-c3ccccc3)[nH]c12 587959767 VINFPXKWXMSINZ-UHFFFAOYSA-N 407.267 5.281 0 1 HKAF CCCOc1cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2cc1Br 587964602 DTZXJRWSKCEJIY-UHFFFAOYSA-N 401.348 5.954 0 1 HKAF C[C@@]1(c2ncc(-c3ccccc3)[nH]2)Cc2c([nH]c3ccccc23)[C@H](C2CCOCC2)N1 653742700 VMVCWWJIBFEZGN-OZXSUGGESA-N 412.537 5.087 0 1 HKAF O=C(CCCCCCc1ccccc1)c1ncc(-c2ccc(C(F)(F)F)cn2)o1 653755849 BAGGAODIFOJQHV-UHFFFAOYSA-N 402.416 6.131 0 1 HKAF Cc1c(F)ccc2c1[C@](C[C@@H]1OC(=O)c3ccccc31)(c1ccc(Cl)cc1)NCC2 962148250 SHOCRFCDURVSKM-DHLKQENFSA-N 421.899 5.479 0 1 HKAF COc1ccc2c(c1OC)[C@@H](c1ncc(-c3ccc(C(C)(C)C)cc3)o1)N(C)[C@@H](C)C2 962635128 QTMUSRIXQYEBPK-HJPURHCSSA-N 420.553 5.622 0 1 HKAF Cc1ccccc1[C@@]1(c2cccc(CN3CCCCC3)c2)NCCc2c(C)ccnc21 963068675 CFEAJOBUAOKENE-MUUNZHRXSA-N 411.593 5.122 0 1 HKAF CCOc1cc(Br)c([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1OC 963101263 JSOSXEOMVJYODR-YCRPNKLZSA-N 420.322 5.105 0 1 HKAF Clc1cc(Cl)c2c(c1)[C@@H](c1cn(-c3ccccc3)nc1-c1ccco1)NCC2 963121411 LFWVRIXPKDOSFW-NRFANRHFSA-N 410.304 5.674 0 1 HKAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1cccc(Cl)c1)c1ccc(C)c(C)c1 963609483 NJOPOGQUSFPONI-DWXRJYCRSA-N 421.968 5.800 0 1 HKAF c1ccc(COc2ccc3[nH]c4c(c3c2)CCN[C@H]4c2cc3c(s2)CCC3)cc1 963833932 ZFIJEBRXUSZMBQ-VWLOTQADSA-N 400.547 5.532 0 1 HKAF CC(=O)c1ccc(C(C)=O)c2c(C)c(C(=O)Nc3cc(C)c4ccccc4n3)sc12 1772624663 MKHWXCMUXBTFJD-UHFFFAOYSA-N 416.502 5.724 0 1 HKAF Fc1cccc(CC[C@H]2CN(Cc3c[nH]c4cc(Cl)ccc34)CCC2(F)F)c1 1772648254 ZVCUADMMQIXFGZ-KRWDZBQOSA-N 406.879 6.050 0 1 HKAF CCCCCCn1c(=N)[nH]c2ccc(NC(=O)c3ccc(CCCCC)cc3)cc21 1857538430 OAZAQOMHYIGOJU-UHFFFAOYSA-N 406.574 6.014 0 1 HKAF CCn1c(=O)cc(C2CC2)c2cc(-n3c(-c4ccc(Cl)cc4)cnc3O)ccc21 1857575309 UOMQGVGGFQBCFJ-UHFFFAOYSA-N 405.885 5.111 0 1 HKAF ClC1=C(Cn2cc(-c3ccsc3)nn2)CCc2nc(-c3cccs3)ccc21 1857608041 FRENDSVEHXGFGH-UHFFFAOYSA-N 410.955 5.726 0 1 HKAF NC1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1 1857654828 VLRXSTOBNSSSPE-UHFFFAOYSA-N 416.956 5.245 0 1 HKAF C=CC(=O)Nc1ccc(-n2c(=O)ccc3oc4ccc(-c5cccc(N)c5)cc4c32)cc1 1857769068 HQVITQRLLLUGKV-UHFFFAOYSA-N 421.456 5.111 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356390797 DASOUCLGLBPXLC-FQKQYTRPSA-N 414.718 8.025 0 1 HKAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(COC(=O)C(C)C)=CC[C@H]1C(C)(C)CCC[C@@]12C 2356509786 AUTYPXDJUSQKDU-KMAVCZJNSA-N 420.590 5.219 0 1 HKAF O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(Cc2nccs2)CC1 23231839 VJSWESADYYTAFO-UHFFFAOYSA-N 411.958 5.314 0 3 HKAF COc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccccc1 773799 MDDBUJNMGBVIDK-UHFFFAOYSA-N 402.425 5.086 0 1 HKAF O=C(NCCc1c[nH]c2ccccc12)c1c(-c2ccccc2F)noc1-c1ccoc1 775186 PYWYVGBMCLTQHO-UHFFFAOYSA-N 415.424 5.195 0 1 HKAF CC(C)=CCC[C@@]1(C)C=Cc2cc([C@H]3CC(=O)c4c(O)cc(O)cc4O3)c(O)cc2O1 5158783 FZAZNGMSARSUNC-RDGATRHJSA-N 422.477 5.421 0 1 HKAF endogenous,in-man Brc1ccc([C@@H]2[C@@H]3CSc4ccccc4C3=NN2c2ccccc2)cc1 6041568 AFHSHLMTBPFEII-DENIHFKCSA-N 421.363 6.137 0 1 HKAF CCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)ccc12 13553463 OTYPQCHBGIXCJR-UHFFFAOYSA-N 413.392 7.452 0 1 HKAF O=C(N[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)Oc1ccccc1 13744556 SSKLJKVODOLJRC-UIOOFZCWSA-N 412.533 5.070 0 1 HKAF CCCCCC[C@@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O 13906334 DMVKJAPHGYTUPC-FQEVSTJZSA-N 424.541 5.557 0 1 HKAF CCO[P@@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCSC1=O 26291388 LXPVOXKIKAAFJW-VWLOTQADSA-N 418.480 5.862 0 1 HKAF CCOP(=O)(Cc1ccc(-c2nc3ccc(NC(C)=O)cc3s2)cc1)OCC 27889553 OWDFXKRCYSYYTH-UHFFFAOYSA-N 418.455 5.688 0 1 HKAF COc1ccc([C@@H](CNC(=O)Nc2cccc3cnccc23)Cc2ccccc2)cc1 28958826 UDJRVNBUDHBZTF-JOCHJYFZSA-N 411.505 5.391 0 1 HKAF Cc1c(C(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1Cc1ccc(F)cc1 40914273 LTHMSRPIRAAWHW-UHFFFAOYSA-N 420.871 5.019 0 1 HKAF Cc1cc(-c2ncc(C)n2C)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 43069423 BZPSIAUYWXREOW-UHFFFAOYSA-N 413.308 5.533 0 1 HKAF CC[C@H](C)CNC(=O)c1cncc(-c2ccc(CNCCCc3ccccc3)cc2)c1 45196026 XLOXZFKFWNUZJA-NRFANRHFSA-N 415.581 5.247 0 1 HKAF Cc1ccc(S(=O)(=O)Cc2nc(Nc3ccccc3Cl)c3ccccc3n2)cc1 45285040 FGXHWGQWHAWORY-UHFFFAOYSA-N 423.925 5.309 0 1 HKAF CCN(CCCN1CCCCC1)c1cc(C)nc(Nc2ccc(C)c(Cl)c2)n1 45302362 AMQAHFXGFWRHCP-UHFFFAOYSA-N 401.986 5.193 0 1 HKAF Cc1ccc([C@H](O)CNc2ccnc(Nc3cccc(-c4csc(C)n4)c3)n2)cc1 45323347 PBCVVRYQEOBKET-OAQYLSRUSA-N 417.538 5.106 0 1 HKAF COc1ccc(CN[C@H](C)c2ccc(F)cc2)cc1-c1ccc(C(F)(F)F)cc1 58582355 JXJNOLWWZPDAKP-OAHLLOKOSA-N 403.419 6.371 0 1 HKAF O=C(Nc1cccc(-c2ncccn2)c1)Nc1cc(C(F)(F)F)nc2ccccc12 64417272 OFBDWSMJSHGXTP-UHFFFAOYSA-N 409.371 5.355 0 1 HKAF O=C(Nc1c(Cl)cccc1Cl)C(Br)(C(F)(F)F)C(F)(F)F 68574036 YIONPUXXQHYICO-UHFFFAOYSA-N 418.946 5.190 0 1 HKAF biogenic COc1cc(CN(C)Cc2coc(-c3ccc(C(C)(C)C)cc3)n2)cc(OC)c1OC 72183946 ZTIBNZYAEVPEMQ-UHFFFAOYSA-N 424.541 5.297 0 1 HKAF O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@]2(CCN(C3CCCCC3)C2)c2ccccc21 73224500 VDMKUDNKZWHZNN-AREMUKBSSA-N 417.528 5.244 0 1 HKAF CCCCCc1nc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccccc2)oc1C 82162543 DVBIUJWWEKUDLU-GCJKJVERSA-N 418.585 6.830 0 1 HKAF CCc1cnc(-c2cnc(NCCc3ccccc3F)nc2-c2ccccc2C)s1 82177573 ZOUYKZRROLSBHE-UHFFFAOYSA-N 418.541 5.932 0 1 HKAF CC[C@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCc3cccc(F)c3)ncnc21 82181442 FGYBKYBYLQFVDO-INIZCTEOSA-N 419.504 5.299 0 1 HKAF CCCCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 84733380 DVKVHKNXJVRDDO-ZGVHTVKOSA-N 406.651 5.308 0 1 HKAF O=C(Nc1cc(OC(F)(F)F)cc(-c2cccnc2)c1)N1CCc2cccc(F)c21 95557614 CFHPWZUYQQSWLX-UHFFFAOYSA-N 417.362 5.381 0 1 HKAF CN(c1cc2nc(-c3ccccc3)nn(-c3ccccc3)c-2cc1=O)C1CCCCC1 95571940 OAZFYNCXGAFBHR-UHFFFAOYSA-N 410.521 5.168 0 1 HKAF C[C@@H](Oc1c(N)ncc2c(-c3cn[nH]c3)coc12)c1c(Cl)ccc(F)c1Cl 96273080 YOHXXRDPTFGPHG-MRVPVSSYSA-N 407.232 5.386 0 1 HKAF COc1cccc(OC)c1[C@H]1C[C@@H](C)CC(=O)N1Cc1ccc(OC(F)(F)F)cc1 103258893 WIJOFKNWMVOSOA-RHSMWYFYSA-N 423.431 5.102 0 1 HKAF CC(C)C[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118937328 FHSVMYDBGPVTTJ-SMJWMSDZSA-N 420.678 5.410 0 1 HKAF endogenous,in-man CCCc1ncc(Cc2cc3cc(OC)ccc3nc2O)c2cc(OC)c(OC)cc12 145116071 DKIRAZPCVVUPRB-UHFFFAOYSA-N 418.493 5.058 0 1 HKAF Cc1cccc(-c2nc3ccccc3nc2C2CN(c3ccc4ccccc4n3)C2)c1 169144209 GOJRPLUZGNVVAD-UHFFFAOYSA-N 402.501 5.757 0 1 HKAF NC1(c2ccc(-n3c(-c4cccnc4)nc4ccc(-c5ccccc5)nc43)cc2)CCC1 169705885 QULMQJDBBZAZJL-UHFFFAOYSA-N 417.516 5.487 0 1 HKAF NC1=N[C@](c2ccccc2)(c2cccc(-c3ccccc3)c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c2c(ccc3c(=O)c(-c4ccc(Cl)c(C(F)(F)F)c4)coc23)O1 299837144 JHJUJEZEAWOAQJ-UHFFFAOYSA-N 406.787 6.316 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(Br)c(F)c3[nH]2)c1 586880025 WUJVZXPQOSVEID-UHFFFAOYSA-N 423.285 5.979 0 1 HKAF CC(=O)c1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c2)cc1 586880622 PFPHORPEEMRJIU-UHFFFAOYSA-N 414.814 6.772 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(-c4ccc(F)cc4)s3)nc3ccc(O)c1c23 586989158 ZNGRSIUBICJYAL-UHFFFAOYSA-N 423.468 6.686 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(OC)cc(OC)c2[nH]1 587032830 CWVNFFKOJNLWGD-OAHLLOKOSA-N 409.511 5.066 0 1 HKAF Fc1cc(Br)c2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 587074361 UBLXIZMKSIAINM-MRXNPFEDSA-N 408.702 5.455 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(CO)cc2[nH]1 587086025 CDXNKSXHRGUZFC-CLFYSBASSA-N 413.308 5.086 0 1 HKAF CCOC(=O)c1[nH]c(C)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1C 587097043 NUSXLWWOKSJFFR-UHFFFAOYSA-N 410.473 5.543 0 1 HKAF Cc1c(Br)ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 587124036 HULRHKMZRDAUJI-RUDMXATFSA-N 413.262 6.416 0 1 HKAF COc1c(F)ccc(F)c1-c1nc2cc(Br)c(Br)cc2[nH]1 587132714 KEYCSWOOXYGPJT-UHFFFAOYSA-N 418.035 5.042 0 1 HKAF Cc1cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2cc1Cl 587141212 NNTBYGULJKRMPT-UHFFFAOYSA-N 400.881 6.762 0 1 HKAF C[C@]1(c2cc(F)c(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331697 JWNBHQYCSMGFAK-HTAPYJJXSA-N 420.333 5.362 0 1 HKAF COc1cccc(-c2cc(-c3ccc(Cl)c(N)c3)nc3c2oc2ccccc23)c1 587358260 QRNVGAGMQTYMGE-UHFFFAOYSA-N 400.865 6.559 0 1 HKAF COc1cccc(-c2cc(-c3scc4c3OCCO4)nc3c2oc2ccccc23)c1 587364412 DHOWIBVFQHJHDT-UHFFFAOYSA-N 415.470 6.156 0 1 HKAF COc1ccc([C@@]2(c3cccc4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)cc1 587404248 VRACLFYJJYCATI-HHHXNRCGSA-N 409.485 5.648 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1nc(-c4ccc(Cl)cc4Cl)cs1)[C@@H](C2)C3=O 587448980 CWJSKGKDKFEFPQ-DJJJIMSYSA-N 418.301 5.614 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)cc(C(=O)OC(C)(C)C)cc1F)CC2=O 587466351 NGZZAEBRUCPAKK-LJQANCHMSA-N 418.436 5.285 0 1 HKAF COc1ccc2c(c1Br)CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587495269 CNYMFJPFZDQPAG-JOCHJYFZSA-N 413.311 5.143 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(C)ccc2Sc2ccc(N)cc21 587496931 AVRXSUCRBMXFKT-VWLOTQADSA-N 417.530 5.609 0 1 HKAF COc1cccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 587599625 GZAUHLZJMQCQKH-SQHAQQRYSA-N 424.452 5.771 0 1 HKAF CC1(C)CCc2ccccc2[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587600482 BCPJPGBKBBRMQW-NVQXNPDNSA-N 400.474 5.612 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(O)c2)cc1 587609621 OJNFMTPTWXPZFN-JYFHCDHNSA-N 410.425 5.468 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3ccnc3)c(Cl)c2)N1 587697831 ULSKTPNEHUUPIO-WYRIXSBYSA-N 420.713 5.051 0 1 HKAF Cc1cccc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc12 587707144 UGSGZDQOXDKHTP-NSPYISDASA-N 419.725 5.722 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)(F)F)cc2Cl)N1 587715188 WXBBLSKXJANWGB-ZKANADHPSA-N 422.647 5.884 0 1 HKAF CCOc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCC 587800379 GKOGELKPQZNXJF-BUXKBTBVSA-N 408.311 5.009 0 1 HKAF CC[C@@]1(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CC(=O)c2ccccc2C1 587959793 HXBKYORPWDZJOM-IBGZPJMESA-N 423.385 5.380 0 1 HKAF COc1ccc2c(c1)[C@]1(C[C@@H](c3ccccc3O)Oc3ccccc31)N(C(C)C)CC2 962093052 PCCGEOXVRLUJKO-RRPNLBNLSA-N 415.533 5.435 0 1 HKAF Cc1ccc([C@@]2(C[C@H](C)CC(=O)O)c3ccsc3CCN2Cc2ccco2)cc1C 962704051 IFULHRIASATZJO-NSYGIPOTSA-N 423.578 5.761 0 1 HKAF CN1C(=O)C[C@H]2CN[C@@](CCc3ccccc3)(c3ccccc3Cl)c3cccc1c32 963025361 JWYOBBKYGOVIKJ-SIBVEZHUSA-N 416.952 5.270 0 1 HKAF Cc1cccc(CC[C@]2(c3cccc(Cl)c3)NCCc3c(C(=O)O)cccc32)c1 963121789 LORDOLOXOZMYAT-RUZDIDTESA-N 405.925 5.369 0 1 HKAF COc1ccc(CC[C@H]2CN(Cc3c[nH]c4cc(F)ccc34)CCC2(F)F)cc1 1772617073 RDVOXVBLQWUZOS-SFHVURJKSA-N 402.460 5.406 0 1 HKAF COc1ccc(-c2cccc(F)c2Cl)cc1[C@H](CC(=O)O)c1ncc(C)s1 1772657461 VDABJYQMDVEQBZ-HNNXBMFYSA-N 405.878 5.526 0 1 HKAF Oc1cccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c2Cc2cc(O)ccc2-3)c1 1857561134 JVQQCWWUVZVQJW-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF FC(F)(F)Oc1ccc2oc3ccc(-c4noc(-c5n[nH]cc5Cl)n4)cc3c2c1 1857596951 SLXCKBSVVFBWKB-UHFFFAOYSA-N 420.734 5.578 0 1 HKAF Cc1cc(-c2ccc3c(C(=O)Nc4cccc(F)c4)cc(O)nc3c2)c(C)cc1F 1857633787 AWQSNKZQNWEUMM-UHFFFAOYSA-N 404.416 5.755 0 1 HKAF CC=C(C)[C@@H](O)[C@H](C)C=C(C)CC=CC(C)=CCc1nc(OC)c(OC)c(O)c1C 2356428142 ZQLBCAUKNYXILZ-DENIHFKCSA-N 415.574 5.457 0 1 HKAF CC(=CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356573965 ICOBDHPNAUQIMP-OMFSDFRDSA-N 400.691 7.635 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@]4(O)[C@H](C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356722086 XWGRHEMBEMXJCU-NEHRWALNSA-N 416.690 6.750 0 1 HKAF CC(C)=CC[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](N(C)C)CC3=CC[C@@]2(C)[C@@H]2CC[C@H]3CNC[C@]231 2356723551 MTTYFJALUXXPNR-LZCAFVELSA-N 410.690 6.051 0 1 HKAF CC(=CC(=O)O)C=C(C)C=C(C)C=CC=CC=C(C)[C@H]1OC(=O)C(C)=C(O)C1(C)C 2356834229 KMLFNHCEOOZYJG-HSZRJFAPSA-N 412.526 5.752 0 1 HKAF COc1ccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(C(C)C)cc4)no3)C2)cc1 1360216 FKEBCBMNYHEOPL-IBGZPJMESA-N 420.513 5.280 0 3 HKAF CC(C)(C)c1noc(-c2ccc(-c3ccccc3)cc2)c1C(=O)N[C@@H]1CCCC[C@@H]1O 775490 JGXLUJHMLXKRCO-RTWAWAEBSA-N 418.537 5.339 0 1 HKAF COc1cc(OC)c2c(c1)[C@@H](CCCCCC[C@@H]1CC[C@]3(CC[C@@H](C)O3)O1)OC2=O 1890871 MDVWGBKYBVEXHU-RFVJQGCGSA-N 418.530 5.330 0 1 HKAF CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 4214449 QZKUPLNQEUMMEB-NHCUHLMSSA-N 402.535 5.260 0 1 HKAF Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(Cc1ccccc1)C2 13800373 WLTNPNYFPWRCSK-UHFFFAOYSA-N 417.361 5.426 0 1 HKAF Cc1ccc(Sc2cncc3sc(C(=O)Nc4ccc(Cl)cc4)cc23)cc1 13862331 RFQLTDLTIFNUSF-UHFFFAOYSA-N 410.951 6.662 0 1 HKAF Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1cccc(Cl)c1 26288017 OHUGLAQJWNBNEE-UHFFFAOYSA-N 414.958 5.227 0 1 HKAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1cccc(Cl)c1Cl 28218686 AGLJLTHWBDDMGJ-UHFFFAOYSA-N 401.315 5.783 0 1 HKAF CC(C)OC(=O)Nc1cccc(-c2cccc3c(C(=O)c4cccs4)cnn23)c1 28819328 WPAZXXGGLMNAFG-UHFFFAOYSA-N 405.479 5.251 0 1 HKAF NC[C@@H]1CCC[C@@H](CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 28826336 MVOCLUVYCDHXAF-DHIUTWEWSA-N 417.597 5.285 0 1 HKAF CC(=O)N1CCC[C@@H](Nc2ccccc2Oc2ccc(Cl)cc2)c2ccccc21 34807540 AZCNVZBFSGUDLV-OAQYLSRUSA-N 406.913 6.432 0 1 HKAF COc1ccc(-c2cc3nc(C)c(CN)c(-c4ccc(Cl)cc4Cl)n3n2)cc1 43130798 WMNDYRLAAULBQD-UHFFFAOYSA-N 413.308 5.146 0 1 HKAF C[C@@H](Cc1ccc(Oc2ccc(Cl)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1 45168254 JCGKIQWEEKFZIX-HJPURHCSSA-N 416.348 6.040 0 1 HKAF Cc1ccc(Nc2ccnc3cc(-c4nccs4)ccc23)cc1[C@@H](O)c1ccccc1 45192941 ZQDGWJISJZYFJI-VWLOTQADSA-N 423.541 6.492 0 1 HKAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(=O)[C@@H](N)C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 45291726 YIRDSBUNWRKQHW-IDCUECRKSA-N 415.618 5.050 0 1 HKAF CC(C)=CCc1cc(/C=C/C(=O)OCCc2ccccc2)cc2c1OC(C)(C)C=C2 45337982 QCMUWGOUYNVNRY-ACCUITESSA-N 402.534 6.179 0 1 HKAF CN(C)C(=O)Cn1c(-c2ccsc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21 45389220 KJUVCSCYDUCYTD-UHFFFAOYSA-N 410.539 5.204 0 1 HKAF CCOc1ccc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccccc3C)n2)cc1 82177536 MRAVNKFLHPRHTI-UHFFFAOYSA-N 414.509 5.469 0 1 HKAF O=C(O)c1csc(-c2ccc(C[C@H](C(=O)c3ccccc3)c3ccccc3)cc2)n1 84586932 XERPIZMHGPHYJL-NRFANRHFSA-N 413.498 5.718 0 1 HKAF O=C(Nc1ccccc1)[C@H]1Cc2ccccc2CN1C(=O)c1cccc2ccccc12 84758493 OSBUNDKDKMTDPI-RUZDIDTESA-N 406.485 5.046 0 1 HKAF CCOc1ccc(-n2cnc3cc(NCc4ccc(CC)cc4)cnc32)cc1N(C)C 95597448 LFAGHUXZEYPRRC-UHFFFAOYSA-N 415.541 5.060 0 1 HKAF CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc(C(C)C)cc1 100703935 FIZVZDWWVITWMY-GOSISDBHSA-N 423.582 6.268 0 1 HKAF CCCN1[C@H]2CC[C@@H]1C[C@@H](N(c1ccccc1)c1ccc(C(=O)N(CC)CC)cc1)C2 100760060 MPRXVSJYTYGFJP-OOSCYNTBSA-N 419.613 5.712 0 1 HKAF OC1=C2C(=Nc3c(-c4ccco4)cnn3[C@@H]2c2ccc(Cl)c(Cl)c2)CCC1 100914112 YQRHHZCRTGKHKJ-LJQANCHMSA-N 400.265 6.121 0 1 HKAF CC(C)CC[C@H](O)[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118919743 LMMRHWWBNFVJIU-RINZDOGJSA-N 404.679 6.584 0 1 HKAF COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc([C@@H](CN)C2CCCC2)cc1 164995276 ZKGSCDQJANFTPN-IBGZPJMESA-N 418.562 5.651 0 1 HKAF O=C1C[C@@](CCc2ccccc2)(c2ccccc2)OC(=O)[C@H]1Sc1cccs1 169716092 HLFWZPOQHDICFH-GMAHTHKFSA-N 408.544 5.253 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC/C(C)=C/C[n+]1cn(C)c2c(N)ncnc21 205707861 NALGSOQQUZLOIK-HFYKSFLZSA-N 422.641 5.363 0 1 HKAF O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1 299819624 AWEBVNCNTLOVSN-UHFFFAOYSA-N 414.634 5.181 0 1 HKAF CCc1ccc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2c1 586968349 QOOYBUONEPMFPQ-UHFFFAOYSA-N 424.957 5.437 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(Cl)c4ccccc4c3O)nc3ccc(O)c1c23 586987067 YTFXXMDNBRCAIN-UHFFFAOYSA-N 423.855 6.331 0 1 HKAF Cc1ccc2c(c1)CCCN2[C@H](C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988471 SGMUTKWNMZIZKO-QGZVFWFLSA-N 420.512 5.974 0 1 HKAF C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(F)cc2[nH]1 587055379 PWAGNAINXSWPRV-GFCCVEGCSA-N 417.267 6.941 0 1 HKAF Fc1cc2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc2cc1-n1cccn1 587063734 ZXSSWJZPEUSFQS-UHFFFAOYSA-N 402.860 5.799 0 1 HKAF CC(C)(C)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2n1 587081325 NZVUJJNPFBTAPF-UHFFFAOYSA-N 402.889 5.286 0 1 HKAF Cc1ccc(O)c(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)c1 587100574 DKQZTEHTFHVCMV-UHFFFAOYSA-N 409.441 5.063 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4cccc(Br)c4[nH]3)ccc2F)cc1 587139545 OHOPUXKIMREJAM-UHFFFAOYSA-N 409.258 6.001 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c(F)c2)c(F)c1 587152494 OONHEDUVMDJAHW-UHFFFAOYSA-N 405.326 5.598 0 1 HKAF CC(C)Oc1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1Br 587152855 SPMRMHHASYEZGD-NEPJUHHUSA-N 407.258 5.662 0 1 HKAF Cc1cc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2cc1C 587160874 HLXAITIILGVUJD-UHFFFAOYSA-N 412.262 5.936 0 1 HKAF CCOC(=O)Nc1snc(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208524 SVIIXUGKMYNSOQ-UHFFFAOYSA-N 415.474 5.447 0 1 HKAF COc1cccc(-c2cc(-c3sc4ncnn4c3C)nc3c2oc2ccccc23)c1 587367168 URFGHDMWNDCQCF-UHFFFAOYSA-N 412.474 5.736 0 1 HKAF CC(C)[C@@]1(CSc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587369967 SFNCDFXQGCQWHS-UKILVPOCSA-N 422.521 6.077 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@H](c3ccccc3)S[C@@H](c3ccccc3)C1)O2 587415784 XIGDTUFMTYDVER-DNQXCXABSA-N 415.558 6.291 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1ccc(Cl)cc1)[C@@H](C2)C3=O 587422480 QFYGKEQFFSGEJA-CYFREDJKSA-N 406.865 5.416 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3ccc(Cl)c(Cl)c3n1)CC2=O 587462795 SZBIXRFPDOSTRH-SFHVURJKSA-N 402.277 5.906 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3cc(C(F)(F)F)ccc3n1)CC2=O 587464065 HPYWQSLORXLRGU-FQEVSTJZSA-N 401.384 5.618 0 1 HKAF C[C@H](C(=O)O)c1ccc(C[C@H]2CCC[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 587531355 ZGBSXYCBMKTSSO-NWBLWUIWSA-N 418.533 5.500 0 1 HKAF Cc1cccc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)nc12 587550824 BSOYILPEAQRPMX-XXBNENTESA-N 417.848 5.605 0 1 HKAF CC[C@H](OC)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587596252 QCXVXQRAAAPWGR-UWUFEASWSA-N 404.462 5.367 0 1 HKAF Cc1nc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cs1 587615639 XIFBEVBHYGMBNL-SIKLNZKXSA-N 421.499 5.589 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(C)(C)C)c(-n3nnn(-c4ccccc4Cl)c3=O)c2c1 587641629 NTVOKNKYTUMLLW-AWEZNQCLSA-N 423.948 5.364 0 1 HKAF Cc1cc(C(F)(F)F)ncc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587710414 CNSUIZPFQUYWII-QGHHPUGFSA-N 417.244 5.108 0 1 HKAF COc1ccc(C(F)(F)F)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587711756 LZQNVYHNILGZJA-HUTHGQBESA-N 418.228 5.239 0 1 HKAF CC[C@@]1(c2ccc(OC(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587722691 ZIZBXXJZXPDHMF-WLRWDXFRSA-N 414.265 5.377 0 1 HKAF COc1ccc(C)cc1C(=O)CCc1nc2cccc(OCc3ccccc3)c2[nH]1 587787657 PYHPPGPYDYCLBS-UHFFFAOYSA-N 400.478 5.274 0 1 HKAF COc1ccc2[nH]cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1C 587794909 WIJROXPUQRTLEB-FVINQWEUSA-N 403.295 5.010 0 1 HKAF Cc1ccc(C)c(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587799044 VXECPWANINBYLB-ZSEKCTLFSA-N 414.322 5.219 0 1 HKAF Cc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587813385 BWWXBKIEFXCZPB-XDHUDOTRSA-N 424.357 6.031 0 1 HKAF CCC1CCC(C2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)CC1 587817507 LHRKDLHMSLQYST-LRYXAPPNSA-N 422.426 6.724 0 1 HKAF Cc1ccc2c(c1C)OCCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587832266 BEUHPSAKXJAXCL-ASSNKEHSSA-N 404.323 5.155 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1cccc2ccccc12 587862813 XCIYXUYXBJUWFS-UHFFFAOYSA-N 410.395 5.614 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1ccc(SC(F)F)cc1 587871451 XGVMPJWXMRGVLW-UHFFFAOYSA-N 423.485 5.648 0 1 HKAF Cc1ccc(C)c(OCc2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)o2)c1 587875956 WHAZIBGBEATVGP-UHFFFAOYSA-N 404.397 5.272 0 1 HKAF Cc1ccccc1-c1ccc(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1 587958943 IKDNWAAXVZKKJX-UHFFFAOYSA-N 402.497 6.360 0 1 HKAF Clc1cccc2c1[C@@]1(NCCc3cc(-c4ccccc4)ccc31)c1ccccc1CC2 962664586 OUDZWWFEIZKLGI-GDLZYMKVSA-N 421.971 6.543 0 1 HKAF CC(C)c1ccc([C@]2(CC(C)(C)C(=O)O)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963092097 AGQZAFRQAJBCED-HFZDXXHNSA-N 409.545 5.714 0 1 HKAF Cc1ccc([C@@]2(c3ccc(C(C)C)cc3)NCCc3c(Cl)cc(Cl)cc32)nc1 963119708 HNGMDABXTRMPIX-DEOSSOPVSA-N 411.376 6.258 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCc1ccc(F)cc1)c1ccc(C)c(C)c1 963231382 QRQIYUXHODYWGH-RNWIMVQKSA-N 415.596 6.976 0 1 HKAF Fc1cccc(-c2nc(Sc3cc(Cl)nc(Sc4ccccc4)n3)n[nH]2)c1 1857574125 SFVUXOQYTQUMEB-UHFFFAOYSA-N 415.906 5.357 0 1 HKAF CC(C)c1ccc(C(=O)O[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 1857617891 JMQRLABRTMSHPZ-HXUWFJFHSA-N 403.309 5.912 0 1 HKAF CCCCN(c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1 1857648626 WDCMHPISISROIC-UHFFFAOYSA-N 409.507 5.047 0 1 HKAF CC=Cc1cc([C@@H]2CC(=O)c3ccc(O)c(CC=C(C)C)c3O2)ccc1OC(C)C 2356328904 LOMFVXOLTBGKBK-VWLOTQADSA-N 406.522 6.428 0 1 HKAF CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@]1(C)[C@@H]3CCc4cocc4[C@]3(C)CC[C@@H]12 2356386697 SOCWJJCWFLDOKZ-CKCOHIKQSA-N 412.614 6.686 0 1 HKAF CC(C)=CCCC(C)=CC[C@]12CCN(C)[C@H]1Nc1c2ccc(Br)c1O 2356553376 XZWZAEHOBMJOPL-NHCUHLMSSA-N 405.380 5.562 0 1 HKAF CC(=CC=C[C@H](C)C[C@H]1OC(=O)C(C)=C1O)CCC[C@H](C)CCCc1ccoc1 2356573993 JIGKBJFCEWMJSB-SXWKCWPCSA-N 400.559 6.695 0 1 HKAF COC(=O)C1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](C(=O)c5ccccc5)CC[C@H]34)[C@@]2(C)CC1 2356574453 AGWLVIYLIXLESA-QBRNEFFTSA-N 418.577 6.158 0 1 HKAF Cc1cccc2oc(=O)c3c(c12)O[C@@]1(C(=O)CC(C)C)O[C@H]3[C@@H]2C(=CC[C@@H]2C)[C@@H]1C 2356663709 RNMCIHINZSRFRU-QUUBCQGBSA-N 408.494 5.095 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCC(C)C)CC[C@@H]32)C1 2356746350 PZCACFCRRKXFLZ-JWJRZTHOSA-N 416.690 7.649 0 1 HKAF COc1ccc([C@@H](N)c2csc(NC(=O)Nc3ccccc3C(C)(C)C)n2)cc1 61896100 ZIDCXOTWTFARAA-LJQANCHMSA-N 410.543 5.141 0 3 HKAF CN(C)C(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 4081347 KUUHUZDQCPLTOJ-GGAORHGYSA-N 404.897 5.187 0 1 HKAF CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCCOC 4214009 LRCKUVLOJZSZNE-DQEYMECFSA-N 422.569 5.520 0 1 HKAF O=C1C[C@H](c2ccccc2)Cc2[nH]c(=O)c(-c3nc(-c4ccc(F)cc4)cs3)cc21 8592535 CJFIOFOGYHPHQI-MRXNPFEDSA-N 416.477 5.217 0 1 HKAF CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)cc(-c3ccccc3)oc2=O)cc1 13581284 SNYOIDHVUOVRHA-UHFFFAOYSA-N 402.471 5.044 0 1 HKAF O=Cc1nn(-c2ccc(Cl)cc2)c2c1CCC[C@H]2Cc1cccc2ccccc12 26575079 GVGLQNCEJITYDM-IBGZPJMESA-N 400.909 6.154 0 1 HKAF O=C1C[C@@H](c2ccc(Cl)cc2Cl)Cc2c1c(=O)c1cc(Cl)ccc1n2O 27094389 WLZRJUAGKIICPX-VIFPVBQESA-N 408.668 5.112 0 1 HKAF Cc1cc(SCc2cc(-c3ccc(C(F)(F)F)cc3)no2)ccc1OCC(=O)O 29058743 GDYUMLCDKLRQLB-UHFFFAOYSA-N 423.412 5.425 0 1 HKAF O=C(O)/C=C/c1ccc(Oc2c(-c3ccccc3)c(C3CC3)cc3cc(O)ccc23)cc1 35969443 WLCNMXHJDTTWKE-OVCLIPMQSA-N 422.480 6.980 0 1 HKAF in-vitro Oc1cccc(-c2nc3ccc(Br)cn3c2NC2CCCC2)c1Cl 43122929 ZCFVKEPUTUTXTQ-UHFFFAOYSA-N 406.711 5.477 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C\C(C)=C\CNCCCC[C@H](N)C(=O)O)C(C)(C)CCC1 64454591 FSIGCSBKSBDRLV-GGOCYBHBSA-N 414.634 5.690 0 1 HKAF in-vitro Cc1cccc(-c2ccccc2)c1Oc1nc(O)nc(NCc2ccc3occc3c2)n1 64512548 CBXHXHCQNJIRQE-UHFFFAOYSA-N 424.460 5.703 0 1 HKAF O=C(CC1CCCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 72179366 JUHOWXARVPCJAC-UHFFFAOYSA-N 418.541 5.351 0 1 HKAF CCOc1cc(COC(=O)c2ccc(-c3ccccc3)o2)cc(OCC)c1OCC 84712003 LPKPDYBFCZEGCE-UHFFFAOYSA-N 410.466 5.500 0 1 HKAF Nc1nc(-c2ccccc2)cc(-c2ccc(Nc3cc(=O)oc4ccccc34)cc2)n1 103167158 WGQDJWUCTGXIMY-UHFFFAOYSA-N 406.445 5.243 0 1 HKAF Fc1cc2c(cc1-c1ccc3ncnn3c1)CNC[C@@H]2c1ccc(Cl)c(Cl)c1 114508068 WNADNMZKSSOJHJ-QGZVFWFLSA-N 413.283 5.077 0 1 HKAF CC(C)Oc1cc(C(=O)Nc2ccc(C(=O)O)c(F)c2)cc(Cl)c1OC(C)C 116231453 OPVWNSQNNDMCNM-UHFFFAOYSA-N 409.841 5.004 0 1 HKAF C/C(=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](C)C(C)C 118924007 NWPUQBNUEHLQTQ-FRVAKJKBSA-N 414.718 7.881 0 1 HKAF CC(C)=CCC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C 136269444 TZAGPBFNVOIOKK-ZCHKDFFRSA-N 410.730 10.605 0 1 HKAF O[C@H](C[C@H]1CCCCN1)c1cc(Nc2ccc(Cl)cc2)nc2ccc(Cl)cc12 169334728 MVBBSLWLXVZHCU-DYESRHJHSA-N 416.352 5.851 0 1 HKAF CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@H]1c1ccc(-c2ccccc2)cc1 169728294 NPCZTDPKZMXZAZ-DQEYMECFSA-N 415.533 5.734 0 1 HKAF Clc1cccc(B(Oc2ccc(Cl)c3cccnc23)c2cccc(Cl)c2)c1 195904608 ZRJVNWVSUHZFEI-UHFFFAOYSA-N 412.512 5.380 0 1 HKAF COc1c(C)cc(-c2cccc(F)c2)cc1CNc1c(C)ccc(OCC(=O)O)c1C 218876562 HBMYILVYHNTQJZ-UHFFFAOYSA-N 423.484 5.502 0 1 HKAF Clc1ccc(NCc2ccccc2)cc1-c1ccnc2[nH]c([C@H]3CCCNC3)cc12 226082081 SSXNDIBGHMMCCS-SFHVURJKSA-N 416.956 5.962 0 1 HKAF CC1(C)C=CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@H]2CC[C@@H]2[C@@H]3[C@@H]4OC[C@]3(CCC4(C)C)CC[C@@]21C 238749020 NFRITKFNFKPRTO-FSBMUZGZSA-N 424.713 8.043 0 1 HKAF N=c1[nH]cc([C@@H]2CCCNC2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12 473136419 RDJIJUZNOVAKEK-QGZVFWFLSA-N 401.535 5.635 0 1 HKAF CCCCc1cc(=O)oc2cc(OCc3nc4ccc(C(C)(C)C)cc4[nH]3)ccc12 586918664 PLFFBXBBHCZWHV-UHFFFAOYSA-N 404.510 5.888 0 1 HKAF CC(C)c1c(Cc2cccc(Cl)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586985965 NNEASUWDPJXGQV-UHFFFAOYSA-N 413.904 6.519 0 1 HKAF O=C1c2ccccc2-c2c(Cc3ccccc3)c(C(F)(F)Cl)nc3ccc(O)c1c23 586986827 PDVAYELSBHSVOD-UHFFFAOYSA-N 421.830 6.031 0 1 HKAF Cc1ccc2c3c(c([C@H](C)C(=O)O)c(-c4ccccc4F)nc13)-c1ccccc1C2=O 586996021 OUQYBBRIUDFPJW-AWEZNQCLSA-N 411.432 5.749 0 1 HKAF Fc1c(Cl)cc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1F 587002587 XFMNYYYSHRISRF-UHFFFAOYSA-N 423.644 5.989 0 1 HKAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(Cl)c(Cl)cc2[nH]1 587004717 YBARCMWJHCYTDP-ZDUSSCGKSA-N 424.129 5.356 0 1 HKAF Clc1ncc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc-2[nH]1 587063858 APINBTGAQAMGHS-UHFFFAOYSA-N 424.291 5.312 0 1 HKAF Nc1nccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 587077124 QIHZPFCWDYITIU-FYWRMAATSA-N 423.907 5.896 0 1 HKAF Cc1ccc(-c2cc(-c3nc4cccc(C(N)=O)c4[nH]3)c3cccc(Cl)c3n2)o1 587082669 APOBRLKCJJSSIC-UHFFFAOYSA-N 402.841 5.099 0 1 HKAF Clc1nc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc2ccccc12 587086153 UVMSLCQKVUQHRN-UHFFFAOYSA-N 412.905 6.708 0 1 HKAF Cc1ccc(Cc2nc3cccc(I)c3[nH]2)cc1C(F)(F)F 587095554 KKRPFNFLZVDOFF-UHFFFAOYSA-N 416.184 5.086 0 1 HKAF Nc1ccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(C(F)(F)F)c1 587095558 KQMFEBTTWXPAKU-UHFFFAOYSA-N 424.142 5.612 0 1 HKAF Cc1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2cc1Br 587120521 MQOVALJLVLANSG-UHFFFAOYSA-N 413.119 5.062 0 1 HKAF Fc1cc2c(c(Cc3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c1)OCOC2 587171210 JIDYMPWDQSENCM-UHFFFAOYSA-N 417.465 5.436 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587189969 FMXOQPOGADKGKG-QGZVFWFLSA-N 406.313 5.826 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 587196526 ZBQCDMNZCBHOCE-UHFFFAOYSA-N 407.301 5.611 0 1 HKAF CCCOc1cc2nc([C@H](C)c3ccc(N(C)C)cc3)[nH]c2cc1Br 587198096 YJLFACXGJWUDRD-CYBMUJFWSA-N 402.336 5.332 0 1 HKAF Nc1ccccc1-c1ccc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)cc1 587249557 CDEKWGLDAIUWFJ-UHFFFAOYSA-N 421.344 6.517 0 1 HKAF O=Cc1cccc([C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587354123 MZHLEEVCEFRRBB-UKILVPOCSA-N 402.421 5.008 0 1 HKAF COC(=O)c1noc(C)c1-c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587364045 WJBOODSKSJIHGX-UHFFFAOYSA-N 414.417 5.407 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)c(Br)c1 587377334 MLMXSTPXNUCNBS-FQEVSTJZSA-N 412.283 5.615 0 1 HKAF CCCC[C@]1(c2ccc(Br)cc2F)CC(=O)c2cc(C)cc(N)c2O1 587382311 PLVPRQRAQPPWNY-HXUWFJFHSA-N 406.295 5.530 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C(F)(F)F)cc4)s1)[C@@H](C2)C3=O 587423779 UZEHUEURZXUIBP-YCRPNKLZSA-N 416.420 5.931 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3ccc(Cl)cc3)o1)CC2=O 587460093 FXAXDAQNFPOABK-QFIPXVFZSA-N 412.869 5.877 0 1 HKAF Cc1cc(Br)c2c(c1)[C@@]1(CCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587498708 PPKBORKUSKSBDL-JOCHJYFZSA-N 413.311 5.280 0 1 HKAF O=C1C[C@@](Cc2cccc(F)c2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587505724 PVAPGGCIIFVKKG-SANMLTNESA-N 404.456 5.947 0 1 HKAF CCCOc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(OCCC)c1 587526539 YAJCIPGISQAOLZ-AREMUKBSSA-N 408.538 6.024 0 1 HKAF CC(=O)c1sccc1-c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587532798 SRGRITOUFWBBPN-HSZRJFAPSA-N 402.515 6.203 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc(C(F)(F)F)c1 587546240 IOYBZWJCBFAMIJ-YLJYHZDGSA-N 420.770 5.767 0 1 HKAF Cc1cc(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl 587548760 XUISXSOIKJTNFV-DYESRHJHSA-N 401.245 5.710 0 1 HKAF CC(C)CCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587598388 UJYAATBFEATXEN-OZXSUGGESA-N 418.489 5.694 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@H](c1ccccc1)C2 587603003 KLHKBZXGLUUGHC-FPDDQMOCSA-N 400.474 5.841 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2oc3ccccc3c2c1 587618252 SULIJNPGSOGXQC-JYFHCDHNSA-N 408.409 5.995 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(Cl)c(Cl)cc32)N1 587695683 JDHJRRCYRUMATK-NIVTXAMTSA-N 415.133 5.619 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccc(Cl)c(Cl)c2)N1 587699958 ZAXPSDBSNAGNBR-HZKKCMNJSA-N 415.133 6.184 0 1 HKAF Cc1ccc2nc(Cl)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587707695 WJDVRAXUFRUDFZ-WLRWDXFRSA-N 419.725 5.722 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2CN2CCCCC2)N1 587766267 MWZJTYURZPLDQF-OYHNWAKOSA-N 417.366 5.198 0 1 HKAF CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC 587801361 KRDKVOWFRNVQTK-FKIZINRSSA-N 408.311 5.009 0 1 HKAF Cc1ccccc1-c1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587821046 SPQBPZIHBZBWBF-CMJOXMDJSA-N 410.330 6.187 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2CCCCC2=O)N1 587824763 YJNVXDYARUFWGC-UVQUFPMPSA-N 416.334 5.125 0 1 HKAF Cc1cccc(-c2nc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cs2)c1 587854285 SMRSEEGYJPWXMW-BUXKBTBVSA-N 417.347 5.644 0 1 HKAF Cc1cccc(-n2c(-n3nc4cc3Oc3ccc(F)cc3-4)nc3ccccc3c2=O)c1C 587875397 KMTJCLVVLQFGEL-UHFFFAOYSA-N 424.435 5.100 0 1 HKAF Cc1ccc(-c2ccc(-c3nc(-c4ccc(NS(C)(=O)=O)cc4)cs3)cc2)cc1 587924069 BYPIFUXIDWWHKO-UHFFFAOYSA-N 420.559 5.824 0 1 HKAF CC(C)CCCCCCCCCCCCCCCCCc1nc2ccnc(O)c2[nH]1 587957782 UMFMIHVEEJVRPI-UHFFFAOYSA-N 415.666 8.104 0 1 HKAF CC[C@]1(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)CC(=O)c2ccccc2C1 587961186 QIQLHRBJNGEUIX-HXUWFJFHSA-N 404.457 5.943 0 1 HKAF CCC[C@H](C)COc1ccc([C@@H](NC(=O)[C@@H](C)C2CCCCC2)C(=O)OC)cc1 1772576031 PCKSWTKHTHJUTP-NPPFBWRTSA-N 403.563 5.048 0 1 HKAF CCCc1ccc(NC(=O)c2ccccc2NC(=O)Nc2ccc(OC)cc2)cc1 1772656446 BGMKYXXBLIPWNR-UHFFFAOYSA-N 403.482 5.544 0 1 HKAF CC[C@H](C)[C@H](NC(=O)[C@]1(C)CCC[C@@H]2c3ccc(C(C)C)cc3CC[C@H]21)C(=O)OC 1857602013 HWFNRWPOEMACQI-TWSVDDHJSA-N 413.602 5.350 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356406674 CPQUIAPJXYFMHN-WKPHBKBCSA-N 400.691 7.635 0 1 HKAF CN[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC(C)=O)CC[C@@]45C[C@]35CC[C@]12C 2356491452 IXKWMHYTPDVHMP-KXXAZSGSSA-N 414.678 5.538 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1C=CC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C)C(C)C 2356500234 PSJWKKYLLIKCCF-VQUCYOHUSA-N 410.686 7.865 0 1 HKAF CCCCC[C@H](O)C[C@H](CCc1ccc(O)c2c1CC[C@@H]1CCC[C@H]1O2)OC(C)=O 2356772867 KZNRSMJFGRHLFU-IBPRQYQWSA-N 418.574 5.082 0 1 HKAF C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C4=CC[C@@H]5C(C)(C)CCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]12 2356872301 YRHDJXSJOFXQTP-UHZPEUIKSA-N 410.730 9.054 0 1 HKAF O=C(O)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1CCc1ccc(Cl)cc1 5490491 GFIWRQWXHIIBRO-UHFFFAOYSA-O 414.912 5.902 0 3 HKAF COc1cc(OC)c2c(-c3cccc(-c4ccc(OC)c(F)c4)c3)cc(=O)oc2c1 13813886 RNXDVGMBHNJTQM-UHFFFAOYSA-N 406.409 5.292 0 3 HKAF aggregator C[C@]1(C(=O)NCc2cccc(C(F)(F)F)c2)CCN1Cc1ccc2ccccc2c1 61904246 RJWNCVQQFQTGHA-HSZRJFAPSA-N 412.455 5.139 0 3 HKAF CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCc1ccccc1OC 4295222 KNCZRXAUMCMENE-LEWJYISDSA-N 400.544 5.087 0 1 HKAF O=C(Nc1cccnc1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 6783289 OCHGENKYUUTMMX-FGZHOGPDSA-N 417.534 5.005 0 1 HKAF Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCCC[C@H]1c1ccccn1 11665475 DLCCMXKLMVGFJG-IBGZPJMESA-N 411.889 5.154 0 1 HKAF CCCCCC[C@H](Oc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1)C(=O)OCC 13864252 LLGLMQUTINCRKE-QFIPXVFZSA-N 424.493 5.447 0 1 HKAF O=C(Nc1ccccc1)Nc1ccc(OCCn2c3ccccc3c3ccccc32)cc1 28818357 CELYKAKBTNBSMQ-UHFFFAOYSA-N 421.500 6.518 0 1 HKAF CCN1CCC[C@@H](Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3ccccc23)C1 29204726 CWKKEUGZNRCJGN-OAHLLOKOSA-N 416.356 5.576 0 1 HKAF CC(C)c1ccccc1Sc1c(O)cc(-c2cccc(C(F)(F)F)c2)oc1=O 36124567 VWRHSQKSVZZSOE-UHFFFAOYSA-N 406.425 6.306 0 1 HKAF O=C(Nc1conc1-c1c(Cl)cccc1Cl)OCc1c(F)cccc1Cl 59069055 KGEDKXZGLWXZJS-UHFFFAOYSA-N 415.635 6.190 0 1 HKAF CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 64624757 VDKSIHRRZLCAGD-MRBFWTDXSA-N 420.678 5.410 0 1 HKAF in-vitro COc1ccc(-c2oc3ccc(C)cc3c2C(=O)c2cc(Cl)cc(Cl)c2)cc1 72176525 ZBOOSJHMXLCGQV-UHFFFAOYSA-N 411.284 6.955 0 1 HKAF CC1=C2C[C@@]34[C@H]5CC[C@@H](C6=CCC7=C6[C@H]3N3C[C@@]36CCC[C@H]6C7)[C@]4(C)[C@]2(CC1)[C@H](C)C5 85548172 ALLKUGHSKORXDO-OCSSWFJUSA-N 413.649 6.813 0 1 HKAF biogenic,in-vitro COC(=O)C(C)(C)[C@H](c1ccc(Nc2ccc(C(F)(F)F)cc2)cc1)n1ccnc1 95561643 OHMKSXJKGQBWMU-IBGZPJMESA-N 417.431 5.434 0 1 HKAF CCCn1c(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1F 95574019 YYLPTPJOWFJPTK-UHFFFAOYSA-N 403.453 6.155 0 1 HKAF COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)N2CCCC[C@H]2C)cc1 95591045 SWSRLVOJNNQFCC-YYUGJWGSSA-N 421.537 5.297 0 1 HKAF O=C(Nc1ccc(Cl)cc1)C1=C([S@](=O)Cc2ccc(Cl)cc2)CCCC1 103192656 HHMWBEITGMYPCU-SANMLTNESA-N 408.350 5.709 0 1 HKAF CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1 103229145 WYJLXHQRDQDUOM-UHFFFAOYSA-N 401.758 5.291 0 1 HKAF CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(O)c2)C2=C(O)CC(C)(C)CC2=N1 104071075 RHIDSZGCSLFKIV-HSZRJFAPSA-N 417.505 5.580 0 1 HKAF COc1ccccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 143023006 OLWZBHYHYCLORN-UHFFFAOYSA-N 417.900 5.048 0 1 HKAF CC[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(/C=C/c4ccccc4)cc3)oc2c1 168472716 YTUHUYVCPVMBIL-IBDYFIJFSA-N 421.500 5.915 0 1 HKAF CN1N=C2/C(=C/c3ccccc3)CN(CCc3ccccc3)C[C@H]2[C@@H]1c1ccccc1 196481669 CXUPFXWEVDCCDH-WCWZFIMYSA-N 407.561 5.287 0 1 HKAF C[C@H](CCCCCO)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 299831731 QXIKZFKQVVHVCI-KRCSRCIFSA-N 406.651 5.166 0 1 HKAF Cc1ccc(C2(CNC(=O)c3cccc(Cl)c3Cl)CCC(F)(F)CC2)cn1 473199087 XTTLZIAFAWLBRK-UHFFFAOYSA-N 413.295 5.574 0 1 HKAF O=Cc1ccc(OCc2occc2-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 586900050 AGUBPVYAMOJMHD-UHFFFAOYSA-N 410.429 6.007 0 1 HKAF CC[C@H]1OCCC[C@@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 586914243 URQHXPFGWVHMQT-HNAYVOBHSA-N 415.331 5.577 0 1 HKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(F)c(F)c(F)c2[nH]1 586981384 AUDHKZRRTLFIMR-GFCCVEGCSA-N 411.265 6.115 0 1 HKAF O=C1c2ccccc2-c2c(CCc3ccc(Cl)c(Cl)c3)cnc3ccc(O)c1c23 586985034 DXUSEKAZOYBUGJ-UHFFFAOYSA-N 420.295 6.244 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(F)cc4Br)nc13)-c1ccccc1C2=O 586995030 HMBOGAJMYBOELY-UHFFFAOYSA-N 418.265 6.323 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Cl)nc(Cl)cc4[nH]3)c21 587031995 XHDHFFGEOWZOTP-JTQLQIEISA-N 403.338 6.224 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c21 587032173 ZORWZQJWRPOQNN-NSHDSACASA-N 402.350 6.829 0 1 HKAF COc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCCO4)cc(Cl)c1OCC(C)C 587046791 MHBVCKNMFZFQEP-SNAWJCMRSA-N 414.889 5.201 0 1 HKAF Fc1cc2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2cc1Br 587052179 YAIFVDQZWYBCGH-HTQZYQBOSA-N 400.078 6.042 0 1 HKAF FC(F)(F)c1cc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2cc1Cl 587074679 ZTKCWDUJTQECCV-UHFFFAOYSA-N 408.210 6.618 0 1 HKAF CCCCCOc1cc2nc(-c3cccc(F)c3NC)[nH]c2cc1Br 587135617 KAXJGZSTPDLTFD-UHFFFAOYSA-N 406.299 5.742 0 1 HKAF Cc1ccc(/C=C/c2nc3c(Br)ccc(Br)c3[nH]2)cc1F 587146153 BFXOAWAWQHMFJL-QPJJXVBHSA-N 410.084 5.706 0 1 HKAF O=C(O)CC1=C(c2cccs2)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587207154 CCEUFDMPOFWFPH-UHFFFAOYSA-N 409.466 5.449 0 1 HKAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587258223 BIGXFYVVRIEILP-KRWDZBQOSA-N 412.415 5.154 0 1 HKAF C[C@]1(c2cc(F)c(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328152 AYEHWLYIGIZMAA-DENIHFKCSA-N 402.343 5.223 0 1 HKAF CCCCc1c(-c2ccc(N)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587362379 ILJFZKNXTBJFOU-UHFFFAOYSA-N 422.528 7.248 0 1 HKAF COc1cccc(-c2c(C3CCC3)c(-c3ccccc3)nc3c2oc2ccccc23)c1 587365438 KULYKLUZDLCTNR-UHFFFAOYSA-N 405.497 7.591 0 1 HKAF COc1cccc(-c2cc(-c3sc(C4CC4)nc3C)nc3c2oc2ccccc23)c1 587365740 GSXVNTMJECEDNG-UHFFFAOYSA-N 412.514 6.966 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3cc(Cl)ccc3Cl)o1)O2 587377719 XVBRLMCYQSBDHA-FQEVSTJZSA-N 418.276 5.763 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc3c(cc1C)C(C)(C)[C@H](C)CC3(C)C)O2 587405068 JEKQLCDOKLTMDY-XGCWNURASA-N 405.582 6.361 0 1 HKAF CCOC(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)s1 587410402 MFHDAJXZTPAUAI-LJQANCHMSA-N 407.491 5.189 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)N(CC)CC)cc1)CC2=O 587467102 CGXWYUBJRIYEDV-DEOSSOPVSA-N 410.514 5.099 0 1 HKAF Cc1cccc(Cl)c1OCc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587496341 CKCGKEIPKUWDKI-QHCPKHFHSA-N 422.908 6.406 0 1 HKAF O=C1C[C@H](c2ccc(OCc3ccccc3)c(F)c2)Oc2c1ccc1c2CCCC1 587506918 QUNFCBGASAYTBL-RUZDIDTESA-N 402.465 5.990 0 1 HKAF O=C1C[C@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)Oc2c1ccc1c2CCCC1 587532950 RFTORHBDYWUFFV-XMMPIXPASA-N 418.514 5.105 0 1 HKAF Cc1cccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 587600317 ANDDXLBLDCFMKR-RPLLCQBOSA-N 408.453 6.071 0 1 HKAF O=C(c1ccc(OC(F)F)cc1)c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587629620 FHVDVBRMQDVZFY-UHFFFAOYSA-N 407.697 5.812 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2ccc(Cl)c(Cl)c2)N1 587698932 WFSCITPZAXAHOS-VVVCHXIZSA-N 403.122 5.713 0 1 HKAF Cc1cccc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc12 587707149 UHKCVQUIDQHBMZ-WLRWDXFRSA-N 419.725 5.722 0 1 HKAF CC1=C[C@@H]2C=C([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)C(Cl)=N[C@H]2C=C1 587708721 ZSFXDOGYDSBHBS-DZUZHBOMSA-N 421.741 5.242 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2C(F)(F)F)N1 587710398 GDPQVPWZSZGPRX-BCTVWOGZSA-N 406.192 5.370 0 1 HKAF Cc1cc(OC(F)(F)F)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587723049 UYVJDZMPODYULZ-BTDLBPIBSA-N 418.228 5.419 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccncc3)cc2)N1 587776872 DZESGZJXOWUMKD-PEBXRYMYSA-N 411.318 5.448 0 1 HKAF CC(C)CCOc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587788977 APDLJNRUIVOJMO-QKKBWIMNSA-N 406.339 5.637 0 1 HKAF CCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CC 587795733 RJKVUUDHFUJLQG-LRTDBIEQSA-N 406.339 5.563 0 1 HKAF CCOc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCC 587800381 GKOGELKPQZNXJF-HXPMCKFVSA-N 408.311 5.009 0 1 HKAF Cc1ccc(C[C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587814725 VBWCKNGZLRKLCS-XDHUDOTRSA-N 424.357 5.917 0 1 HKAF Cc1ccc(-c2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587820098 OVDFOXBANYWPIQ-IQMFZBJNSA-N 410.330 6.187 0 1 HKAF CCCC[C@@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 587835855 QYDZMTOEBACXHW-ASSNKEHSSA-N 420.322 5.285 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2nc3ccccc3s2)N1 587859357 WCDHYLZETLCNAO-JEOXALJRSA-N 405.336 5.190 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1cc(C)ccc1C 587859799 LXGKUIGFFXKGAZ-UHFFFAOYSA-N 420.365 6.118 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 587861032 KHRXOAIKICPWSL-HOTGVXAUSA-N 420.818 5.675 0 1 HKAF Cc1cccc(C)c1CC[C@]1(C2CC2)c2ccsc2CCN1Cc1cccn1C 962375709 OTLZGZUACJGIDY-SANMLTNESA-N 404.623 6.000 0 1 HKAF C[C@@]1(c2ccc3c(c2)Nc2ccccc2S3)NCCc2cc(-c3ccccc3)ccc21 962659995 BVSMNXBZYNCUTQ-NDEPHWFRSA-N 420.581 6.971 0 1 HKAF COc1ccc(-c2cc(Cl)cc([C@@H](CC(=O)O)c3ncc(C)s3)c2)c(F)c1 1772653300 RWCSCUDSOCGQIR-QGZVFWFLSA-N 405.878 5.526 0 1 HKAF O=C1C[C@H](c2ccc(-c3nnc(-c4ccc(Cl)cc4)o3)cc2)Oc2ccccc21 1911585383 HXWWWOQNBNJNKJ-OAQYLSRUSA-N 402.837 5.764 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4[C@H](C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356475673 LRELJMKLEOTFPQ-BMUFSPRJSA-N 412.702 7.801 0 1 HKAF C[C@](O)(CCCCCCCCCCCCc1ccccc1)C[C@]1(C)OC(=O)C[C@H]1O 2356495004 APUHCCTYZGXKTG-AFESJLNVSA-N 418.618 5.728 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@@H](O)C[C@H]1CC3)C(C)C 2356536889 UEZKFNIGXFVXCX-AUMULUPNSA-N 412.702 8.089 0 1 HKAF C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1 2356581390 UPFMAJNOHQYMSO-QPBZFUCASA-N 412.702 7.779 0 1 HKAF COc1ccc([C@H]2C=CCCC=C[C@@H]2c2cc(OC)c(OC)cc2OC)cc1OC 2356689418 IWWCDRYEUXVJDV-MOPGFXCFSA-N 410.510 5.503 0 1 HKAF C[C@@H]1CC[C@]2(C)[C@H](C)CCC(=O)[C@]23CC[C@@H]2[C@H](c4c[nH]c5cccc(c45)C2(C)C)[C@@H]13 2356727334 FDTRWEJDZJUQIO-CDAJIHEHSA-N 403.610 6.991 0 1 HKAF C[C@H]1[C@@H](OC(=O)Nc2ccccc2C(F)(F)F)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205708457 QKNGVSCCHPBJQW-ZUEQLIKTSA-N 424.463 5.214 0 3 HKAF CC(=O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(C)=O)c3C1)CCCC4)CCCC2 1855657 DDMIKPVJXHNTNU-UHFFFAOYSA-N 412.573 5.733 0 1 HKAF CCOc1cc2ncnc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC 13490770 IMZBSZFOSHTOBQ-UHFFFAOYSA-N 406.511 5.603 0 1 HKAF C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(O)cc1 13560781 GEEIYAPDFSGWDJ-VJTSUQJLSA-N 404.485 5.197 0 1 HKAF CCc1nc(-c2cccc(OC)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1 13673410 GNHSVVXDPRZPKA-UHFFFAOYSA-N 415.518 5.695 0 1 HKAF Fc1cc(F)cc(CO[C@@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 13744505 HBEGTMOMACFCHB-KAYWLYCHSA-N 419.515 5.776 0 1 HKAF Cc1ccc2c(c1)CCCN2C(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 23433030 XIYRHQGUTVDBIF-UHFFFAOYSA-N 409.860 6.475 0 1 HKAF CC[C@@H](c1ccc(O)cc1)[C@H](CCCCn1cc(C(=O)O)cn1)c1ccc(O)cc1 25997304 KVJHFUKFDWJZRW-XZOQPEGZSA-N 408.498 5.140 0 1 HKAF Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(C3CCNCC3)cc2)cc1 27208850 ZIBFYFNRTAIKMN-LOSJGSFVSA-N 419.546 5.532 0 1 HKAF O=C(Nc1nccs1)c1c(-c2ccccc2)nc2c(C(F)(F)F)cccc2c1O 29230925 FSQOEURJLFZICP-UHFFFAOYSA-N 415.396 5.335 0 1 HKAF CCCN1N=C2/C(=C/c3ccc(OC)cc3)CSC[C@@H]2[C@@H]1c1ccc(OC)cc1 29244207 MEEVCJNTBYJZIA-SSKBKNQGSA-N 408.567 5.273 0 1 HKAF CCCC[C@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)O)cc3OC)c2c1 29473179 ORTIMSQPYMEJKE-KRWDZBQOSA-N 422.525 5.551 0 1 HKAF CCCCCCOC(=O)Nc1ccc2ccn(Cc3ccc(C(=O)O)cc3OC)c2c1 29477696 LZLWEJSEDGENLD-UHFFFAOYSA-N 424.497 5.525 0 1 HKAF O=C(NCCc1cccc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)ccc1Cl 33696279 VKYPHCCMGGHIOO-UHFFFAOYSA-N 410.745 5.742 0 1 HKAF CCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@H]2CCC3=CC(=O)CCC3=C12 34799882 QPIUHLBKRNGNER-QVSKFDSWSA-N 412.658 7.310 0 1 HKAF CN(C)CCN(C)Cc1ccc(-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1 45201370 DQPUXPUGNATIMZ-UHFFFAOYSA-N 421.972 5.253 0 1 HKAF CCN(CC)C(=S)S[C@@H](CC(=O)c1ccc(OC)cc1)c1ccc(C)cc1 49799675 YRZBIGYARZZYAH-NRFANRHFSA-N 401.597 5.678 0 1 HKAF CC(C)CN(CC(C)C)C(=O)/C=C/C1=C(Cc2ccccc2)c2ccccc2CC1 64516303 DJRLRMLPXUEQRS-WUKNDPDISA-N 401.594 6.326 0 1 HKAF CCCCCC[C@@]1(O)c2ccccc2-c2nc(N3CCN(C)CC3)c3ccccc3c21 66078863 YKSARKGHPCBNKQ-HHHXNRCGSA-N 415.581 5.173 0 1 HKAF CCCN(CCC)c1cc2ncc(=O)[nH]c2cc1Nc1nc(-c2ccccc2)cs1 72108789 MRHGLPSLZXRMHH-UHFFFAOYSA-N 419.554 5.417 0 1 HKAF CN(C)c1cccc(Oc2ccc3c(NCCCNCc4ccco4)ccnc3c2)c1 72126042 RCKMFSJLMAJGGG-UHFFFAOYSA-N 416.525 5.278 0 1 HKAF Cc1oc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccccc2)nc1-c1ccccc1 82162529 NGEYSUBDATWKAL-MBSDFSHPSA-N 424.548 6.765 0 1 HKAF CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccco2)n1 82166136 GSFPXRROAXPDGJ-CQSZACIVSA-N 406.511 5.746 0 1 HKAF CC[C@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187086 GNMQCAPENHNOAY-INIZCTEOSA-N 419.504 5.039 0 1 HKAF CC[C@@H](C)Cn1c(-c2cccs2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187393 XRNYOOUSXWPPGZ-OAHLLOKOSA-N 409.534 5.395 0 1 HKAF CCN1CCN(c2ccc([C@@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 84634595 YVRGGVNLKYVRQU-RBYCIJMVSA-N 414.637 6.177 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C=C(C(=O)O)CC[C@@]43C)[C@@H]1CCC(=O)N2Cc1ccccc1 95556697 VCWGQUZQNWBZIJ-UAGSZKROSA-N 419.565 5.351 0 1 HKAF O=C(NC12CC3CC(CC(C3)C1)C2)N[C@H]1CC[C@@H](OCc2c(F)cccc2F)CC1 101140203 BYVQOOJCIFDJPB-PQODNNDASA-N 418.528 5.061 0 1 HKAF OC1(c2ccc(Cl)c(Cl)c2)C[C@H]2CC[C@H](C1)N2Cc1csc2ccccc12 101185291 VFPMJQLPEIDGKV-IAGOWNOFSA-N 418.389 6.223 0 1 HKAF CC(C)(O)/C=C\C[C@@]1(C)C=Cc2c(cc(/C=C/c3ccccc3)c(C(=O)O)c2O)O1 238776076 RCGUJEUZXALNFO-MHRFDAGHSA-N 406.478 5.142 0 1 HKAF C(=C1/CCC[C@H]2C1=NN(CCCN1CCCCC1)[C@H]2c1ccccc1)\c1ccccc1 299848887 OPGBFZHYHPIEJO-FXWFHRFQSA-N 413.609 6.159 0 1 HKAF FC(F)(F)c1ccc2nc(-c3cn(-c4ccccc4)nc3-c3ccccc3)[nH]c2c1 473115310 RNKCEACPIUWTQX-UHFFFAOYSA-N 404.395 6.101 0 1 HKAF Cc1cc(C(=O)Nc2ccc(SC[C@@H]3CCCN4CCCC[C@@H]34)nc2)sc1C 504663962 LLEGXIBPNYQNBB-HKUYNNGSSA-N 415.628 5.369 0 1 HKAF biogenic CC(=O)c1ccc(-c2cccc(-c3nc4c(C)c(Br)cnc4[nH]3)c2)cc1 586881797 ZKNZQQAQIFUOJT-UHFFFAOYSA-N 406.283 5.565 0 1 HKAF CC(C)(C)c1cccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 586998567 MUMAYFCKAFBBBF-WYMLVPIESA-N 421.338 7.053 0 1 HKAF Cc1ccc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c2n1 587012679 FDPWJLWAGFJKSJ-UHFFFAOYSA-N 416.937 6.301 0 1 HKAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C=C\c3ccsc3)[nH]c2c1 587025387 JQXHWEYPEQSSQR-QPIMQUGISA-N 415.927 5.249 0 1 HKAF COC(=O)c1cc2[nH]c(-c3cc4c(s3)CCC4)nc2c(F)c1Nc1ccccc1 587032934 CYVSYAKLIKMEIJ-UHFFFAOYSA-N 407.470 5.449 0 1 HKAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587051136 VCCLLUZNUVYCJC-UHFFFAOYSA-N 404.175 5.394 0 1 HKAF CSc1ccc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2c1 587055508 KRUIETIRTLSZAZ-UHFFFAOYSA-N 416.333 5.469 0 1 HKAF FC(F)(F)Sc1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 587081759 FEFKHVBCCHIQFW-UHFFFAOYSA-N 424.835 5.728 0 1 HKAF Cc1ccc2c3c(cc(-c4ccccc4N4CCOC4=O)nc13)-c1ccccc1C2=O 587096034 BWBBLHPWARPWHM-UHFFFAOYSA-N 406.441 5.378 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@](O)(c1cccc(Cl)c1)C3 587103739 KQGOOJWMGARWMH-SANMLTNESA-N 411.888 5.476 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccccc4)cc3)nc3cccc1c23 587107279 RMNCOKRSADAGRD-UHFFFAOYSA-N 413.476 6.692 0 1 HKAF COc1cccc([C@@H]2CC(=O)Cc3nc4cccc5c4c(c32)-c2ccccc2C5=O)c1 587107487 UAVZBBZOZKIKSJ-NRFANRHFSA-N 405.453 5.102 0 1 HKAF OC1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CCC(C(F)(F)F)CC1 587127344 XKHWMPZEBFCEAC-UHFFFAOYSA-N 417.456 5.780 0 1 HKAF Cc1cc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2cc1Br 587133549 RTTRPRIQSDCNHI-UHFFFAOYSA-N 402.050 5.311 0 1 HKAF CCCCCOc1cc2nc(-c3coc4cc(F)ccc34)[nH]c2cc1Br 587173944 DKPLYTFSJYXLBR-UHFFFAOYSA-N 417.278 6.447 0 1 HKAF Cc1cccc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 587194064 KPNROWCTHFREOG-UHFFFAOYSA-N 411.505 5.295 0 1 HKAF Cc1ccc([C@]2(C3CCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587357835 VRLBTYJRFLPXPW-AHWVRZQESA-N 402.465 5.894 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(/C=C/c3ccoc3)oc3ccc(O)cc13)O2 587415001 XLOJGKHXWVMFMN-YSNSILARSA-N 401.418 5.499 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1ccccc1Cl)[C@@H](C2)C3=O 587418354 GWPNXHQYOJUSBI-FDDCHVKYSA-N 411.284 5.693 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1c(F)cccc1F)CC2=O 587467974 VSKXAEYLWOYDTN-VWLOTQADSA-N 408.444 5.840 0 1 HKAF CCCc1c(O)ccc2c1OC1(CCC(O)(c3ccc(C(C)C)cc3)CC1)CC2=O 587491398 VBYLPIUECBHOPF-UHFFFAOYSA-N 408.538 5.634 0 1 HKAF O=C1CC2(Oc3c1ccc1c3CCCC1)c1cc(Cl)ccc1-c1ccc(Cl)cc12 587501500 OMKKWJOSYOSMTM-UHFFFAOYSA-N 421.323 6.762 0 1 HKAF Cc1cc(CN2CCCC[C@@H]2C)c(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587517675 RYIHOJNCACJKNM-UZTOHYMASA-N 417.593 6.263 0 1 HKAF O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H](c1ccccc1)CCC[C@H]2c1ccccc1 587526798 SKLIDWDJJPVNLP-SVBPBHIXSA-N 422.568 7.021 0 1 HKAF CC1=C(c2ccccc2)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(O)cc2O1 587533452 TZNFBJLMOBAGRT-NDEPHWFRSA-N 424.496 5.955 0 1 HKAF CC(C)(C)OC(=O)Nc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587535347 KHKNWNJRAJZBIF-INIZCTEOSA-N 400.500 5.075 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)c(C(F)(F)F)c1 587547849 MBTKFVHMCGQWAP-XLIONFOSSA-N 420.770 5.767 0 1 HKAF C[C@@]1(c2ccc3c(c2)[nH]c2ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589060 NEGUXYXELZDCQV-IGKIAQTJSA-N 421.452 5.904 0 1 HKAF O=C(c1ccc(Cl)c(Cl)c1)c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587627929 FZKPMZHBIIBFIH-UHFFFAOYSA-N 410.581 6.517 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(CC(=O)OC)c2c1 587637892 BAQZQDFPZUDYNY-ZDUSSCGKSA-N 400.316 5.826 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1CCc1c[nH]c2ccccc12 587659203 ZGQYBQSBMHIZBR-UHFFFAOYSA-N 401.416 5.066 0 1 HKAF Cc1c(Br)cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587675844 DFYDMOAFPCPNKU-XLFHBGCDSA-N 413.128 5.283 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(N3CCCCC3)c2)N1 587766346 NDXMJWSVZIYQAN-SZNDQCEHSA-N 403.339 5.202 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC=C2CSc2ccccc2)N1 587848495 WRTJVSPPBVOYQS-QKKBWIMNSA-N 418.375 5.830 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C)nc2c(C)cccc12 587859086 BNPVCKSFDZCKGG-UHFFFAOYSA-N 412.320 6.410 0 1 HKAF CCCCOc1cc2nc(/C=C/c3cccc4ccccc34)[nH]c2cc1Br 587966959 FNDWYPQERFIVHL-VAWYXSNFSA-N 421.338 6.828 0 1 HKAF Cc1cccc(NC(=O)CSc2cc(-c3ccccc3)cc(-c3ccccc3)n2)c1 653919304 VNUXDJLNXVTBCR-UHFFFAOYSA-N 410.542 6.455 0 1 HKAF COc1cc2c(cc1OC)[C@H](c1ccc(-c3cccc4ccccc34)o1)N(C)[C@@H](C)C2 962624198 DTQQYCCQUAAPCC-CBZJRKILSA-N 413.517 6.083 0 1 HKAF COCOc1ccc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)cc1Br 962660210 HMMMRGKJGQGOPA-QHCPKHFHSA-N 424.338 5.334 0 1 HKAF COc1ccc2c(c1)[C@H](c1ccc(-c3ccc4c(c3)OCCCO4)cc1)N[C@@H]1CC[C@H]21 962991696 DZGQWOGLXXNKDP-GYZWWNDVSA-N 413.517 5.462 0 1 HKAF Cc1sc2c(c1C)CCN[C@@]21C(c2ccc(Cl)cc2)=COc2cc(O)ccc21 963019378 GUOUAEJBMNGAAX-QHCPKHFHSA-N 409.938 5.547 0 1 HKAF CCCc1ccc([C@]2(c3ccc(C)nc3)N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1 963610404 PGPOPMJEBJPEIN-XHCCPWGMSA-N 416.565 5.186 0 1 HKAF Cc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1 1772653312 SULSUOLNIGMXAY-MXVIHJGJSA-N 411.498 5.177 0 1 HKAF Oc1ccc(OC(=S)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)cc1 1857774472 SPARKQRWRWIVDC-UHFFFAOYSA-N 405.397 5.979 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4C[C@H](O)CC[C@@H]4[C@H]3CC[C@@]12C)C(C)C 2356678630 NJKOMDUNNDKEAI-ORGHZWEWSA-N 414.718 8.025 0 1 HKAF CC1(C)C=Cc2cc(-c3coc4c5c(cc(O)c4c3=O)OC(C)(C)C=C5)c(O)cc2O1 2356804453 LYYAHCZGHUNIDN-UHFFFAOYSA-N 418.445 5.240 0 1 HKAF COc1ccc2c(c1)-c1ccc3c(c1[C@H](c1ccc(Cl)cc1)O2)C(C)=CC(C)(C)N3 13777152 QHPLLVOQIJWVSH-VWLOTQADSA-N 417.936 7.105 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 13781880 OMKJDABLEGUPIE-CDAPPKGHSA-N 424.713 8.687 0 1 HKAF N[C@H](COc1cncc(/C=C/c2ccncc2)c1)C(c1ccccc1)c1ccccc1 14957600 ATMJJEZNNJSDSO-TYBKAHOSSA-N 407.517 5.185 0 1 HKAF Cc1cc([C@H](c2ccc(C(C)C)cc2)N2CCN(C(=O)c3ccccc3)CC2)sn1 28249700 RKMBQXRFMVALHB-DEOSSOPVSA-N 419.594 5.122 0 1 HKAF Cc1[nH]nc2c1c(=O)n(CCCN)c1cc(C3CCCCC3)c(C3CCCCC3)cc21 28957067 VSUIPPNTBHQYNE-UHFFFAOYSA-N 420.601 5.630 0 1 HKAF O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NO[C@H](c2ccc(F)cc2)C1 38174394 NFMMZKMQOLNCTC-NRFANRHFSA-N 418.855 5.853 0 1 HKAF CC(=O)c1ccc(NC(=O)Nc2ccc3ncnc(Nc4ccc(C)cc4)c3c2)cc1 40394570 WAOYRFVEWNBTAZ-UHFFFAOYSA-N 411.465 5.528 0 1 HKAF NC(=S)Nc1cccc(OCCCCCOc2cccc(Nc3ccccc3)c2)c1 40430085 GVGHOVWTPCXRJA-UHFFFAOYSA-N 421.566 5.714 0 1 HKAF COc1cc(N[C@H](C)CCCN)c2ncccc2c1Oc1ccc(Cl)c(Cl)c1 40631600 NHAOJBDPGPPVSV-CYBMUJFWSA-N 420.340 5.882 0 1 HKAF Nc1scc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C(=O)c1ccccc1 43016247 MNYYBZBLZUIVLS-UHFFFAOYSA-N 415.358 6.266 0 1 HKAF CC(C)COc1ccc(Cl)cc1Cc1ccc(-c2nc3ccc(F)c(F)c3[nH]2)o1 45168185 BFHFEEYRDWMWGU-UHFFFAOYSA-N 416.855 6.380 0 1 HKAF CC(C)[C@@H](c1ccc(Cl)cc1)c1nc2c(C(F)(F)F)cccc2c(C(=O)O)c1O 64372856 ZGZLDIYOVSIDTR-HNNXBMFYSA-N 423.818 6.099 0 1 HKAF O=C(c1cc2ccccc2o1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(Cl)cc1 71319058 ZZRCSOOIUWHUES-OAQYLSRUSA-N 418.855 6.217 0 1 HKAF Fc1cccc(Cl)c1[C@@H]1C[C@@H](c2ccc(-c3ccccc3)cc2)Nc2ncnn21 72112590 JVJFBRNMJDNPSF-SFTDATJTSA-N 404.876 5.884 0 1 HKAF Cc1ccc(Sc2ccc(O)cc2)c(Nc2ncnc3nc(C4CC4)ccc23)c1 73336867 UUSMVRZIKCRMKC-UHFFFAOYSA-N 400.507 5.811 0 1 HKAF CCCCC1(c2cc(OC)c3cc(Cc4ccccc4OC)c(=O)oc3c2)CCCC1 95579077 JDYPQQKFCAAXRZ-UHFFFAOYSA-N 420.549 6.403 0 1 HKAF COC[C@@H](C)NC(=O)c1cc(-c2cncs2)cc(-c2ccc(F)cc2Cl)c1 113763387 PFVOLERZFSSMML-GFCCVEGCSA-N 404.894 5.034 0 1 HKAF CN1C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@@H]3CC=C(c4cncc(C(F)F)c4)[C@@]3(C)CC[C@@H]12 144200467 CUPJIEUMCYGLFG-PBFVHBGSSA-N 412.524 6.001 0 1 HKAF CCOCCCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccc(Cl)cc1)[C@@H]23 169333648 IPNIMBVGHGZXGF-BUZMGHMJSA-N 405.026 5.222 0 1 HKAF CCCCN(CCCC)C[C@H](O)c1cc2ccsc2c2cc(C(F)(F)F)ccc12 169336077 RKIQEBAQZOIXNY-NRFANRHFSA-N 423.544 7.009 0 1 HKAF O=C(c1cnccc1Oc1cccc2ncccc12)N1CCN(C2CC2)c2ccccc21 169349687 PROWSSANIATLQT-UHFFFAOYSA-N 422.488 5.051 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 169370088 AEWWFKWBCCJQAS-IXYOQLSYSA-N 414.634 5.237 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](N=O)CC[C@@]43C)[C@@H]1CC=C2n1cnc2ccccc21 169684388 JFQDOBQYQYTFQA-MWKLLSHYSA-N 401.554 6.585 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)CC[C@@H](O)[C@]4(C)[C@H]3CC[C@@]21C 204881063 SXMHCACYHNPYIF-JSAMMMMSSA-N 402.663 6.360 0 1 HKAF Oc1nc2ccc(N3CCC[C@@H]4CCCC[C@H]43)nc2nc1CSCc1ccccc1 299881994 OZTURMJRNSOMKT-GHTZIAJQSA-N 420.582 5.323 0 1 HKAF CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2ncccc2N)cc1 474602307 AXNJHSMDLJEOOF-UHFFFAOYSA-N 415.946 5.083 0 1 HKAF Cc1c(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)oc2c1[C@@H](O)CCC2 586905389 NKSTWTNBMBHSOS-LBPRGKRZSA-N 415.209 5.282 0 1 HKAF Cc1ccc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2c1C 586967611 BSRIBLAHJUKWMI-UHFFFAOYSA-N 424.957 5.491 0 1 HKAF Cc1cnc(Cl)c2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc12 586997978 GKURKLRAJIASPP-VQHVLOKHSA-N 414.690 6.113 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4c(Br)cccc4[nH]3)cc2)n1 587020470 SYNRLIGNNFUNDS-UHFFFAOYSA-N 416.369 6.050 0 1 HKAF Cc1c(Br)cc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1C 587029812 VFCDLYBCQFHZOT-UHFFFAOYSA-N 414.328 5.645 0 1 HKAF Sc1nc(S)c2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2n1 587060683 RPJGASRVANSGFE-UHFFFAOYSA-N 421.938 5.466 0 1 HKAF Cc1cc(Br)cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 587126269 WSTMYOHFACBGTD-DAXSKMNVSA-N 413.262 6.416 0 1 HKAF CC(C)(C)c1cccc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c12 587139014 ZQGXRNBWUVOMPN-UHFFFAOYSA-N 406.432 6.171 0 1 HKAF Cc1cc(-c2nc3c(C(C)(C)C)cccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144665 MXGFYXCSERZLGX-UHFFFAOYSA-N 402.469 6.340 0 1 HKAF Cc1cc(Br)c2[nH]c([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nc2c1 587232799 BETZSTWSBUXDCM-TZMCWYRMSA-N 408.340 5.185 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2c[nH]c3ccccc23)(C2CC2)[C@H]1c1ccc(F)cc1 587349882 VXTLTOONUIMIAY-AZGAKELHSA-N 413.448 5.677 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3ccccc3C(F)(F)F)c1O)O2 587382354 PBCLFYQBGUEATB-FQEVSTJZSA-N 413.395 5.675 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc(OC)cc3)cc1)CC2=O 587476951 GWQLIHUSPAFQLS-XMMPIXPASA-N 404.462 5.852 0 1 HKAF O=C1C[C@]2(CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)Oc2c1ccc1c2CCCC1 587518260 DMMYPWWPLKYXQA-DLNIMUOOSA-N 415.577 5.592 0 1 HKAF CSc1ccc(-c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587532187 LVVGXVAEMCTMIF-VWLOTQADSA-N 400.543 6.661 0 1 HKAF CC(C)[C@]1(CCc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550236 VXPPSDJMGWWMTR-RDGATRHJSA-N 422.908 6.035 0 1 HKAF CC[C@@]1(c2ccccc2OC(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555844 MLMDFMLADAWBQE-XXBNENTESA-N 412.388 5.261 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2c1ccc1ccccc12 587587128 FTNOFQBDCSGFHT-GJZUVCINSA-N 407.425 5.730 0 1 HKAF CC[C@H](C)c1ccc(OC)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587594922 PWUKNYNVBPJXDF-YBJNYKISSA-N 404.462 5.617 0 1 HKAF Cc1ccc(Oc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 587598489 BEBBWKVWPRJXKW-IGKIAQTJSA-N 424.452 6.196 0 1 HKAF Cc1ccccc1-c1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587613092 NILPAAURKSDUGK-REWPJTCUSA-N 415.470 5.527 0 1 HKAF Cc1csc2sc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)c12 587616367 CPTMNTPEROOEQH-YLJYHZDGSA-N 408.500 5.988 0 1 HKAF O=C(n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)C1(c2ccc(Cl)cc2)CC1 587657610 YPKINHUJRCRMSA-UHFFFAOYSA-N 418.855 5.228 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/C=C/c2ccc(Cl)cc2)N1 587702851 WVAKVLJBGDJRAL-OZUXQUDLSA-N 406.726 6.087 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(C(F)(F)F)c2F)N1 587713590 SSDOBJGUGJPPAZ-XYZCENFISA-N 420.219 5.544 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(Cc3ccccc3)[C@H](C)C2)N1 587762752 UPGUVFYXSDQODU-XCGNWRKASA-N 417.366 5.002 0 1 HKAF CCCCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587797056 VHQZHIBGLKALGG-SZNDQCEHSA-N 406.339 5.781 0 1 HKAF CC(C)c1ccc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1 587806022 UKFKUTMYEZZZTG-LAJNKCICSA-N 401.323 5.817 0 1 HKAF CCCc1ccc([C@@]2(C(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587809942 BQWDKQSRFFVVGW-IVZQSRNASA-N 404.367 5.975 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(-c3ccccc3)cc2)N1 587813903 QKVJQHTWTSSEEY-VOIUYBSRSA-N 424.357 6.247 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)Cc2ccccc2-3)N1 587814409 HQDUOZXMFDZBRA-JBEBIEQOSA-N 422.341 5.957 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccs2)N1 587853196 PMJNHDYYSAXERH-XCLFUZPHSA-N 402.332 5.476 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncnc2sc(C)c(C)c12 587860980 HYNKAHUJHVGRGQ-UHFFFAOYSA-N 419.337 5.866 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccc(-c2ccco2)n1 587865768 IEOVRNZVMUJSEQ-UHFFFAOYSA-N 400.360 5.007 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccccc1-c1ccccc1 587871046 XWRUIKGFHANBAW-UHFFFAOYSA-N 416.452 5.474 0 1 HKAF CC[C@@]1(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CC(=O)c2ccccc2C1 587962247 WJRSAUSIZJGEEM-FQEVSTJZSA-N 422.834 5.883 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(-c3cccc(F)c3)nc3sccn23)N1 962951794 UWSCNKHKSQRIAP-ZHRRBRCNSA-N 416.525 5.697 0 1 HKAF Cc1cc2occ([C@@H]3c4ccsc4CCN3Cc3cccnc3)c(=O)c2cc1Cl 963008012 KOSYUMURUXWKMV-QFIPXVFZSA-N 422.937 5.359 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cccc(-c2ccc(C(=O)OC)cc2)n1 963228187 KYZKDWSBFKXGOI-AVRWGWEMSA-N 400.522 5.281 0 1 HKAF Fc1ccc(Sc2ccc(Cl)cc2)c([C@@H]2NCCc3cccc(Cl)c32)c1 963390101 FNYWKBRJUWEOME-NRFANRHFSA-N 404.337 6.519 0 1 HKAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)c1c(-c2ccc(Cl)cc2)noc1C 963613653 VHUAWRPMOYNTTK-ZLOXQWCVSA-N 412.917 5.118 0 1 HKAF Cc1ccc2c(c1)[C@@]1(CCO2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963817462 NCDSLCTZRHTGJF-HHHXNRCGSA-N 410.517 5.227 0 1 HKAF COc1ccccc1[C@@H]1c2ccc3cccnc3c2Oc2nc3c(c(N)c21)CCCC3 1772616046 NTXYPVKZEBUMKH-OAQYLSRUSA-N 409.489 5.385 0 1 HKAF Cc1cccc(-c2nc(CNc3ccc(F)cc3)[nH]c2-c2cc3cnccc3s2)n1 1857587748 KDIDAORRLMVWGF-UHFFFAOYSA-N 415.497 5.808 0 1 HKAF CC(=O)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@@H]3CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC[C@@]21C 2356416878 IRDLMDPZMBOLNU-BLFQXDPISA-N 412.702 8.067 0 1 HKAF CC(=O)OC=CC(=COC(C)=O)CCC=C(C)CC[C@H]1C(C)(C)CCC[C@]1(C)O 2356501403 YULSAIDMTJJFTN-UPVQGACJSA-N 406.563 5.594 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356663864 YECJZKKYJKAQCL-XZYFNHKISA-N 414.718 8.169 0 1 HKAF CC(=CCCc1cocc1Cc1ccoc1)CCC[C@@H](C)C=C1OC(=O)C(C)=C1O 2356669814 NVFQZZXKGDYENB-GOSISDBHSA-N 410.510 6.421 0 1 HKAF C[C@@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O 2356695166 VVAOLEXIZKGWNQ-ZLNNXCBWSA-N 402.619 6.063 0 1 HKAF C[C@H]([C@@H](O)CCC(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 5763272 SWBPHHNEYRLOHW-URGUUGQGSA-N 416.690 6.750 0 1 HKAF O=C1Nc2ccc(Cl)c3c2[C@@]1(CCCCN1CC=C(c2ccccc2)CC1)CCC3 13479531 WOSIIVLLLDDXJL-AREMUKBSSA-N 420.984 5.826 0 1 HKAF CC1(C)CCC(C)(C)c2cc(C(=C(F)F)c3ccc4cc(C(=O)O)ccc4c3)ccc21 13604276 YAOCMPZJJFLOJV-UHFFFAOYSA-N 420.499 7.543 0 1 HKAF CCCCC/N=c1\ccn(Cc2ccc(Cl)cc2)c2ccc(C(F)(F)F)cc12 13741414 ZOQHKIPOOCRHPY-NHFJDJAPSA-N 406.879 6.453 0 1 HKAF Cc1cc(C)cc(-c2[nH]c3ccccc3c2CCNCCCCc2ccc(N)nc2)c1 26017449 ZTLKUZYVVJAIRP-UHFFFAOYSA-N 412.581 5.584 0 1 HKAF CC(C)CCC1(C(=O)Nc2cc(F)ccc2SC(=O)C(C)(C)C)CCCCC1 26576748 QRUWEPAFXQSBDS-UHFFFAOYSA-N 407.595 6.816 0 1 HKAF CC1(C)CCC(C)(C)c2cc([C@H](O)c3ccc4cc(C(=O)O)ccc4c3)c(O)cc21 26728536 GNLCQYSHXWTHJB-HSZRJFAPSA-N 404.506 5.674 0 1 HKAF Cc1ccc([C@H]2Oc3ccccc3N(CCCCCN3[C@H](C)CCC[C@H]3C)C2=O)cc1 27329933 WKDRRRCCFURGGM-XLGIIRLISA-N 420.597 5.895 0 1 HKAF Cc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)c3ccccc3C)nc2n1 27408795 GYOMQVVPCRESPL-UHFFFAOYSA-N 423.303 5.868 0 1 HKAF O=C(Cc1c(-c2ccccc2)[nH]c2ccccc12)N(Cc1cccnc1)C1CCCC1 27986522 NSGQJSLNVXCYGA-UHFFFAOYSA-N 409.533 5.744 0 1 HKAF COc1ccccc1C1=C(c2ccc(OCCN(C)C)cc2)c2ccccc2OCC1 28396793 VRQMUZXBWBMAFR-UHFFFAOYSA-N 415.533 5.377 0 1 HKAF O=C(CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1)N1CCCC1 28572450 PMWAIDULOTZRGQ-UHFFFAOYSA-N 400.522 5.646 0 1 HKAF FC(F)(F)Oc1ccc(C2=NC[C@@H](c3ccccc3C(F)(F)F)N2)cc1Cl 28948591 GISDKHJQVKNEHJ-ZDUSSCGKSA-N 408.729 5.349 0 1 HKAF Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cnccc3Cl)nc1)CC2 29549560 AGPTZOURDHRCAS-UHFFFAOYSA-N 415.280 5.479 0 1 HKAF O=C1CS[C@@H](c2ccc(Cl)cc2)N1CCNc1ccnc2cc(Cl)ccc12 35091159 LAHRTVAEFSCGBS-FQEVSTJZSA-N 418.349 5.228 0 1 HKAF CC/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCc1ccc(C=O)[nH]1 38334303 GACBJWLNOWOUHZ-PDBXOOCHSA-N 411.674 8.910 0 1 HKAF O=C(Nc1ccc2c(c1)C[C@@H](NCc1ccccn1)C2)c1ccccc1-c1ccccc1 40403380 VHIQFTOKJVJIJC-VWLOTQADSA-N 419.528 5.258 0 1 HKAF C[C@H]([C@H](O)CCC(C)(C)C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 40440384 SWBPHHNEYRLOHW-RYHWKZSRSA-N 416.690 6.750 0 1 HKAF CN1CCCCCCCCCC(=O)OC[C@@H]2[C@H](C[C@H]3CC[C@@H]2N3C)c2ccc1cc2 53173535 GFWKSCDPOYKBDG-VPBXCIAMSA-N 412.618 5.367 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c2c1O[C@H](c1cc(O)cc(O)c1)CC2=O 66124164 CUAHQWHCZQIDAM-KETROQBRSA-N 424.493 5.451 0 1 HKAF in-vitro CC(C)=CCOc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OCC=C(C)C 71280997 CAJMJSIRWIZMEZ-UHFFFAOYSA-N 406.478 5.856 0 1 HKAF CSc1ccc(N2CCC(N[C@@H](c3ccc(Cl)cc3)c3cccnc3)CC2)cc1 72102476 IKJFKYHRADSSHV-DEOSSOPVSA-N 424.013 5.805 0 1 HKAF Cc1cnc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccc(F)cc2)o1 82164358 LMESWOABAKNKAA-UHFFFAOYSA-N 416.500 6.156 0 1 HKAF COc1ccccc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1 84632420 IDFGAJITXROZKU-UHFFFAOYSA-N 414.383 5.343 0 1 HKAF COc1ccc(Nc2nc3ccccc3c3c2-c2ccc(OC)cc2C3=O)c(OC)c1 84653728 SEJWOQAIYABOSF-UHFFFAOYSA-N 412.445 5.216 0 1 HKAF Clc1ncccc1Nc1nnc(-c2ccc(Br)cc2)c2ccccc12 103168796 PJQGPISMYRKLJA-UHFFFAOYSA-N 411.690 5.851 0 1 HKAF Cc1cnc2[nH]cc(Cc3ccc(NCc4cnccc4C(F)(F)F)nc3F)c2c1 117432558 HLNUKOUNRKYWML-UHFFFAOYSA-N 415.394 5.022 0 1 HKAF CCN(CC)CCn1ccc2cc(-c3ccc(Oc4ccc(F)cc4)cc3)ccc21 146704243 KTMYZIRMTGDPOB-UHFFFAOYSA-N 402.513 6.582 0 1 HKAF CCCCC1([C@@H](O)/C=C/[C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OCC)CCC1 169321159 DWOHKCABYJQWOX-ZUIMKBANSA-N 406.607 5.763 0 1 HKAF CCC[P@](=O)(Cc1ccc(Nc2cc(-c3cccc(N)c3)ncn2)cc1)OCC 169346793 OQHQQBQSQYDIMD-GDLZYMKVSA-N 410.458 5.694 0 1 HKAF CC1=NC(C)=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)[C@H]1C(=O)Nc1ccccc1 169724995 KFDFDPABWDTBAV-JTHBVZDNSA-N 413.477 5.005 0 1 HKAF CC1=C[C@@H]2[C@@H]3[C@@H](C=C[C@H]4[C@@H](C)C[C@@H](C)C[C@]43C)C(=O)[C@@]23C(=O)N[C@H](C(C)C)[C@H]3[C@@H]1C 255240388 MYAIFNPIHQINJU-SCDLYVQXSA-N 409.614 5.029 0 1 HKAF c1ccc(C2=NN=C(c3ccccn3)[C@H]3[C@@H]2[C@@H]2C[C@H]3[C@H]3[C@H]4C[C@@H](c5ccccc54)[C@H]23)nc1 299809420 QAEQEAQDVFBXJR-HZTFLSSLSA-N 416.528 5.083 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CN(Cc1ccccc1)CCC3 586988285 OWDBXWUQWITCBD-UHFFFAOYSA-N 406.485 5.100 0 1 HKAF FC(F)(F)c1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2cc1Cl 587016101 PLTLJHQKDNVLHB-UHFFFAOYSA-N 414.239 6.679 0 1 HKAF Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2ccc(OCc3ccccc3)cc2[nH]1 587047993 DWARMVKQFGFETE-IAGOWNOFSA-N 409.316 6.720 0 1 HKAF Fc1c(Br)ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587083077 FRJYISVQTSEFCM-UHFFFAOYSA-N 411.061 5.987 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@@H]1C(C)(C)[C@H]3CC[C@@]1(C3)C(C)(C)C4)-c1ccccc1C2=O 587102207 ZGIMDLJAZDAAHO-PHIKAKOASA-N 421.584 7.247 0 1 HKAF Cc1ccc2c3c(cc(CSc4ccc(Cl)cc4)nc13)-c1ccccc1C2=O 587103330 WHBVWUBIQBBKPW-UHFFFAOYSA-N 401.918 6.700 0 1 HKAF O=C(O)Cc1c(-c2cc(F)ccc2F)nc2cccc3c2c1-c1ccccc1C3=O 587103563 KAIIJJROZYDKTF-UHFFFAOYSA-N 401.368 5.019 0 1 HKAF C[C@@H](c1nc2c(F)cnc(Cl)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129820 LOVGKTGWWRXJSN-VKHMYHEASA-N 400.138 5.085 0 1 HKAF CC(C)(C)Oc1cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(N)cc1F 587135849 GPZKRSPIDWHNAG-UHFFFAOYSA-N 407.514 6.280 0 1 HKAF CCOC(=O)Cc1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587151441 YNWLPKMCAYJLBL-HSZRJFAPSA-N 403.457 5.009 0 1 HKAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccc(F)c(Br)c2[nH]1 587163437 PNSSNFOTRRWEEK-UHFFFAOYSA-N 413.221 5.502 0 1 HKAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(F)c(C)c3[nH]2)c1C 587165861 NFPPNDKMVSYWHY-UHFFFAOYSA-N 423.463 5.346 0 1 HKAF CC(C)c1ccc([C@]2(O)CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)cc1 587207708 VOUXYWLGAWUGOQ-LJAQVGFWSA-N 419.524 5.946 0 1 HKAF COC(=O)Nc1ccc(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)cc1 587244411 HHEHZXTWDYNSLZ-UHFFFAOYSA-N 400.463 5.685 0 1 HKAF C[C@]1(c2cc(F)c(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331919 KMUSWXJNKMCLBQ-IFMALSPDSA-N 402.343 5.223 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCc1ccc(Br)cc1)(C(C)(C)C)O2 587370006 AJUUZLJBNSNPGO-JOCHJYFZSA-N 416.359 5.723 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(C(F)(F)F)c(F)c1)O2 587380339 DHWHKMROVFWUPN-JOCHJYFZSA-N 415.386 5.644 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(-c3ccc(Cl)cc3Cl)cs1)O2 587413099 MEJACSZFAXCPMR-KRWDZBQOSA-N 405.306 5.714 0 1 HKAF CCc1ccc(-c2[nH]c3ccccc3c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587439543 WFTVWIUTQSVNDG-NFQMXDRXSA-N 409.485 5.895 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Br)c(F)cc1F)CC2=O 587466962 RHQKDVKLSYOAMS-LJQANCHMSA-N 411.242 5.266 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(Br)cc(F)c(F)c1F)CC2=O 587467333 SPVIBGMULBZZCD-AWEZNQCLSA-N 415.205 5.231 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(C)c(C)cc21 587476913 BSRJURLOIIUEKY-MHZLTWQESA-N 412.485 5.415 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(=O)OCC)cc3)o1)CC2=O 587481917 NMAGIQXOXSKAJE-HSZRJFAPSA-N 420.461 5.488 0 1 HKAF C[C@]1(c2ccc(C(F)(F)F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549861 SCFGCDAHRXADNT-WIYYLYMNSA-N 418.342 5.427 0 1 HKAF Cc1cc(C)cc(OCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 587565041 UXXWVHZGANYLHK-UHFFFAOYSA-N 415.209 5.420 0 1 HKAF CCOc1ccc([C@@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587595163 JIFKACJQCUQCQO-RCZVLFRGSA-N 402.446 5.058 0 1 HKAF CC1(c2ccccc2)CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604690 VITPKRDTQINULD-IKJWCUOUSA-N 400.474 5.625 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCSc1ccc(Cl)cc12 587618125 MWVKYSLGJJPEPU-OFNKIYASSA-N 424.905 5.789 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc3cccnc23)N1 587700226 SIOZUPZRZJHXCV-DGIBIBHMSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc(C(F)(F)F)c2)N1 587713645 TZDXEWWLRZBLQZ-ZKANADHPSA-N 422.647 5.884 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OC(F)(F)F)ccc2F)N1 587723832 YFEULUGCVCGUSE-PWJLMRLQSA-N 422.191 5.250 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)c1 587780432 UGWZKPIPQXFTGP-UHFFFAOYSA-N 406.869 5.736 0 1 HKAF CC(C)[C@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 587805303 SZTWKPXZVYDRJR-ZSEKCTLFSA-N 401.323 5.503 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC3CCCC3)cc2)N1 587807898 FAWUVNCDCNXWEL-ASSNKEHSSA-N 404.323 5.533 0 1 HKAF Cc1cccc([C@@H]2CC(=O)C[C@@]3(C2)N[C@@H](C)Cc2ccc(F)c(Br)c23)c1 587817104 IIWRMSIMAUCTDA-WTBBCNCBSA-N 416.334 5.163 0 1 HKAF Cc1cccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)c1 587827305 JLFDHMQHGMNLQO-ASSNKEHSSA-N 400.291 5.780 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccccc1-c1ccccc12 587829116 QQHPMGONPTXCNH-ZLOXQWCVSA-N 422.297 5.229 0 1 HKAF Cc1ccc([C@@]2(c3ccco3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587831466 XCWWKELCRUEGLK-SPLOXXLWSA-N 400.291 5.316 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCC3)Oc3ccccc32)N1 587839585 SXWZXAGTBONENO-YEJXKQKISA-N 402.307 5.071 0 1 HKAF COc1ccccc1-c1ccc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)cc1 587933306 VYPDGHLKNHMMHX-UHFFFAOYSA-N 406.485 6.485 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 618011756 HCXVJBMSMIARIN-CLAUHZDRSA-N 412.702 7.801 0 1 HKAF c1ccc(N2CCN3[C@H](c4c[nH]nc4C4CCCCC4)c4ccccc4C[C@@H]3C2)cc1 962645149 SDGSDDMVYIBSGP-KCWPFWIISA-N 412.581 5.294 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@@]3(c1ccc(Cl)cc1)c1cnccc1C 963047877 QDASKMBUJSGIOW-VWLOTQADSA-N 415.924 5.038 0 1 HKAF COc1ccc(Oc2cccc([C@H]3c4cccc(Br)c4CCN3C)c2)cc1 963278469 BGEYENQULLZZGX-QHCPKHFHSA-N 424.338 5.827 0 1 HKAF COc1ccc(CSc2nc3ccc(C)cc3c(=O)n2-c2ccc(Cl)cc2)cc1 1772570108 REZPNVKXRVNBIV-UHFFFAOYSA-N 422.937 5.648 0 1 HKAF O[C@H](c1cc([C@H]2CC3CCC2CC3)nc2c(Cl)c(Cl)ccc12)[C@@H]1CCCCN1 1857570338 XEULTWOBQMQZND-UTCDQHPTSA-N 419.396 6.011 0 1 HKAF COC(C)(C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857580917 QIPGCNGAWOUAEB-LTOXSCOASA-N 416.690 7.158 0 1 HKAF O=C(Nc1cccc(-c2ccc3c(O)ncnc3c2)c1)Nc1cccc(C(F)(F)F)c1 1857632945 PVDAPPDAOSGYOY-UHFFFAOYSA-N 424.382 5.665 0 1 HKAF C=C=C(CN1CCC[C@H](C(=O)O)C1)C(c1ccccc1)(c1ccccc1)c1ccccc1 1857637361 LFGPMBSSERFOGZ-QHCPKHFHSA-N 423.556 5.529 0 1 HKAF CC[C@@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)CCC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356641679 YLPQYQLAPDSRON-XDSBGQSGSA-N 414.762 9.380 0 1 HKAF CCC=CCC(=O)O[C@@H]1CC=C2[C@@H]3CC[C@]4(C)[C@H](C(C)C)CC[C@@H]4[C@@H]3CC[C@]2(C)C1 2356790688 FVZWUTGPDNERON-MNBSNKIHSA-N 412.658 7.490 0 1 HKAF CC(C)=C1CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C 2356844354 NTZCFZIEUJGSQA-GHQQRKGDSA-N 424.713 8.377 0 1 HKAF N[C@@H](c1csc(Nc2cc(Oc3ccccc3)ncn2)n1)c1ccccc1Cl 61904006 IHYSRGBWSYEFAU-LJQANCHMSA-N 409.902 5.171 0 3 HKAF O=c1c(-c2ccc(C(F)(F)F)cc2)cccn1[C@H](CN1CCCC1)c1ccccc1 1553828 FEBHFORUGPWOLH-JOCHJYFZSA-N 412.455 5.219 0 1 HKAF COc1cc2c(c(OC)c1-c1c(C)cc3cccc(OC)c3c1O)[C@@H](C)N(C)[C@H](C)C2 13359338 BHQAJMGEYYHIGV-HZPDHXFCSA-N 421.537 5.484 0 1 HKAF biogenic COc1ccc2c3c(c(=O)oc2c1)[C@@](C)(CC/C=C(\C)Cc1cc(C)co1)[C@H](C)O3 13460835 VQRPFWMTIIMDKU-KFRXIPAMSA-N 408.494 5.711 0 1 HKAF biogenic,in-vitro COc1ccccc1/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13527202 IAUDUYJHOKBQLW-CFRMEGHHSA-N 413.492 6.999 0 1 HKAF O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)nn1Cc1ccncc1 13534805 GPVVPUOBZYOOQV-UHFFFAOYSA-N 424.287 5.665 0 1 HKAF N=C1C[C@@H](c2cccc(C(F)(F)F)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O 27095545 SWYMQPLCNZXJBJ-LLVKDONJSA-N 406.791 5.009 0 1 HKAF Cc1cccc(CN(C)CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)c1 45506085 MEYCSABMEVSZEC-UHFFFAOYSA-N 400.541 6.533 0 1 HKAF C[C@@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1-c1ccc(OC(F)(F)F)cc1 72106678 ARWOCFJIVTVKBD-CJNGLKHVSA-N 406.400 5.352 0 1 HKAF CC[C@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCc3ccccc3)ncnc21 82178293 WPKCRGPUHTZOHD-INIZCTEOSA-N 405.933 5.805 0 1 HKAF CCN(CC)CCC[C@H](C)Nc1ccnc(COc2ccc(Cl)cc2Cl)c1 95607690 ZEVSLEQLJVFJSC-INIZCTEOSA-N 410.389 5.890 0 1 HKAF Cc1cccc(-c2[nH]c(CNc3ccc(C(C)C)cc3)nc2-c2ccc3ncnn3c2)n1 113390589 QXRMTDMQKMDKPR-UHFFFAOYSA-N 423.524 5.225 0 1 HKAF Cc1c(Br)cc([C@]2(C)CC[C@@H]3C[C@@]32C)c(O)c1I 141248280 FYVRRGGZWREWDC-NKZPBKNFSA-N 421.116 5.145 0 1 HKAF Cc1cc(C)c2nc(Oc3ccc(Cl)cc3)cc([C@H](O)C[C@@H]3CCCCN3)c2c1 169334696 HMFTTZWNNVQUJV-PGRDOPGGSA-N 410.945 5.863 0 1 HKAF CC[C@H]1CC[C@H](C(=O)N(c2ccc(Oc3ccccc3)cc2C(=O)O)C(C)C)CC1 299846189 ZWUPPUDUCOJTFM-WGSAOQKQSA-N 409.526 6.135 0 1 HKAF CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1-c1ccccc1 473108258 LPAWLDFXNADAOX-UHFFFAOYSA-N 415.968 7.141 0 1 HKAF CCCCOc1cc2nc(-c3c(C)oc4c3C(=O)CCC4)[nH]c2cc1Br 586903327 JGZDSLMTRFKPIF-UHFFFAOYSA-N 417.303 5.592 0 1 HKAF Cc1ccc(-n2cnnc2SCc2nc3cc(Cl)c(F)cc3[nH]2)cc1Cl 586968772 WCJZHZDLYFXSCP-UHFFFAOYSA-N 408.289 5.190 0 1 HKAF Cc1ccc2c3c(c(Cc4cccc(C(F)(F)F)c4F)cnc13)-c1ccccc1C2=O 586993404 MZLJUGHAJIHXAW-UHFFFAOYSA-N 421.393 6.503 0 1 HKAF CC(C)(C)c1ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2c1 587019807 WUMDWVSGZFGEGS-UHFFFAOYSA-N 405.527 5.552 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c(C[C@@H]3OCCc4ccsc43)nc2c1 587036574 GKHUAMAMSLVZGV-LBPRGKRZSA-N 417.250 5.262 0 1 HKAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587069270 HDBGVZHSVAHOQZ-MRXNPFEDSA-N 418.953 5.778 0 1 HKAF CC(C)(C)c1ccc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 587070866 IGAVUJFFRXCZGO-ZNTOPRRNSA-N 413.392 7.533 0 1 HKAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587078735 AOUANJLUBJKKSE-ZDUSSCGKSA-N 413.230 5.612 0 1 HKAF Cc1c(Br)ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 587082944 ZHBAIZXEONSJRN-UHFFFAOYSA-N 417.694 5.187 0 1 HKAF COc1ccc(-c2nc3c(C)ccc4c3c(c2[C@@H](C)C(=O)O)-c2ccccc2C4=O)cc1 587097647 NCKXLWOQIFHIRV-OAHLLOKOSA-N 423.468 5.618 0 1 HKAF CC(C)OC(=O)C1(c2nc3ccc(Sc4ccccc4)cc3[nH]2)CC(F)(F)C1 587131310 DKZFIXJIKJYOLJ-UHFFFAOYSA-N 402.466 5.333 0 1 HKAF CCOC(=O)c1ccc2nc(-c3ccc(-c4ccc(OC)cc4F)cc3F)[nH]c2c1 587153385 ZHDHGAYBBIXJSC-UHFFFAOYSA-N 408.404 5.360 0 1 HKAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(Br)c(F)cc2[nH]1 587164248 ZKUGHAYPTUIPSB-UHFFFAOYSA-N 413.221 5.502 0 1 HKAF CC(C)(C)c1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1 587165678 AMDSGZXSYYLLTD-UHFFFAOYSA-N 404.514 5.967 0 1 HKAF Fc1ccc(-c2cn3c(Cc4nc5c(Cl)cnc(Cl)c5[nH]4)csc3n2)cc1 587166610 XNCXSBYBVFSGKH-UHFFFAOYSA-N 418.284 5.371 0 1 HKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587247149 HZGRLORREKJKCN-UHFFFAOYSA-N 415.390 6.136 0 1 HKAF Nc1ccc(/C=C/c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)cc1 587251886 QEZKSCRHDQQLOC-AWNIVKPZSA-N 422.410 5.587 0 1 HKAF Cc1ccc([C@@]2(C3CCCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587358403 XUZQKBYCXITPBS-XNMGPUDCSA-N 416.492 6.284 0 1 HKAF COc1cccc(-c2cc(-c3ccc(C)c(F)c3F)nc3c2oc2ccccc23)c1 587359396 GGCWJWCDOHTARY-UHFFFAOYSA-N 401.412 6.910 0 1 HKAF COc1cccc(-c2cc(C3=C(C)N=C4N=NNN4[C@@H]3C)nc3c2oc2ccccc23)c1 587361938 AYRBFXILFABIQB-CQSZACIVSA-N 424.464 5.333 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCSc3ccccc32)[C@H]1c1ccc(F)cc1 587372118 HPKPEIXGUOZAIM-UPVQGACJSA-N 406.478 5.672 0 1 HKAF C[C@@]1(c2ccccc2OCc2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501884 AKYQURDUOSKXCJ-MHZLTWQESA-N 416.492 6.164 0 1 HKAF CCCOc1ccc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587505098 UNHJRPKTVITDGW-NRFANRHFSA-N 415.327 5.823 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCC(F)(F)F)c1 587550329 UWNJXPLKTYVNNE-NQIIRXRSSA-N 416.351 5.036 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@@H]2Nc1ccccc1 587576070 FJSJJKLGZSYILV-HWBMXIPRSA-N 401.462 5.147 0 1 HKAF CC(C)(C)OC(=O)c1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597953 WWTUQDYPICAQTI-NZQKXSOJSA-N 418.445 5.050 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCSc1ccc(Cl)cc12 587619685 UHQJZNAIPZNJQH-UGKGYDQZSA-N 410.878 5.399 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C(=C/N(C)C)c2cccc(Cl)c2)N1 587696844 FZMXFZRIBGTEAS-WCTZQBBCSA-N 423.757 5.420 0 1 HKAF Cc1ccc(C(F)(F)F)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587710951 IBHAIMFLNDRRMN-BTDLBPIBSA-N 402.229 5.539 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(F)cc3F)o2)N1 587726717 YZZCOOUTDZCDDV-FVINQWEUSA-N 422.244 5.750 0 1 HKAF CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)C 587799732 CFXJJPUNIHFUTP-YEJXKQKISA-N 406.339 5.734 0 1 HKAF CCOc1ccc(OCC)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587801559 LRGOTZOAIWMQIZ-YEJXKQKISA-N 422.338 5.183 0 1 HKAF CCOc1cc2c(cc1[C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)CCC2 587802845 VJCFEOFWYTWHGI-QKVFXAPYSA-N 404.323 5.099 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(O)cc2)N1 587834432 RXHHSZDVSCBKDM-JLCFBVMHSA-N 412.302 5.120 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(C)c(Cl)c1 587864985 XNARZULFOKPMBA-UHFFFAOYSA-N 408.807 5.618 0 1 HKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587951980 KZFCZLOZFRWPEV-HCKVZZMMSA-N 419.285 6.391 0 1 HKAF Cc1ccc([C@]2(c3ccc(CN4CCC4)cc3)NCCc3ccc(F)c(C)c32)c(C)c1 962088279 DQDZQRLJCFZAKL-NDEPHWFRSA-N 414.568 5.394 0 1 HKAF CCOC(=O)c1ccccc1[C@@]1(C2CCC2)NCCc2cccc(-c3ccccc3)c21 962660866 BZNXGFBHRFJMRU-MUUNZHRXSA-N 411.545 5.720 0 1 HKAF Cc1ccc(C)c([C@@]2(C[C@H](C)CC(=O)O)c3ccsc3CCN2Cc2ccco2)c1 962709078 QWWYUZAQVDACJP-IQGLISFBSA-N 423.578 5.761 0 1 HKAF CC[C@]1(c2ccc3ccccc3c2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962709294 QKPZGHNFAHPZIT-RBBKRZOGSA-N 417.402 5.250 0 1 HKAF Cc1ccc(Sc2ccc([C@@]3(C)NCCc4ccc(C(=O)N(C)C)cc43)cc2)cc1 962935142 YUCVBIBKIJUBBL-AREMUKBSSA-N 416.590 5.257 0 1 HKAF CCOc1cc([C@H]2NCCc3c(OC)ccc(Cl)c32)c(Cl)cc1OC(C)C 963258119 NKCLUDCAIYCXDE-OAQYLSRUSA-N 410.341 5.423 0 1 HKAF Cc1cc([C@@H]2c3cccc(Br)c3CCN2C)cnc1OCc1ccccc1 963269028 DJTNLIPBRQNRFQ-JOCHJYFZSA-N 423.354 5.309 0 1 HKAF O=C(O)c1ccc(-n2cc(C(=O)c3c(Cl)cccc3Cl)c3cccnc32)cc1 1857570544 KMYVFWIRTGQKMH-UHFFFAOYSA-N 411.244 5.262 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CC(=O)O)C1 2356312494 COSNVBYTQXPMFE-GBCOPCIBSA-N 402.575 5.608 0 1 HKAF C1=CCCCCN2C[C@@]34CCCCCCCCCCCN(C[C@@H]5CC(=CC1)[C@H]2C[C@H]53)C4 2356642971 AXZOZMSDLYMXPA-AUAHOFGGSA-N 424.717 6.970 0 1 HKAF OC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2cccc(F)c2)CC1 164581201 XTUFYLFKKFUFNO-UHFFFAOYSA-N 419.540 5.243 0 3 HKAF COc1ccccc1NC(=O)N1[C@H](c2nc3c(OC(C)C)cccc3[nH]2)[C@H]2CC[C@@H]1C2 205209296 FURRANGKUHZNJP-DMPWYTOCSA-N 420.513 5.116 0 3 HKAF CNc1nc2cnc(Nc3ccc(OC)cc3)cc2n1-c1cccc(C(F)(F)F)c1 205225604 KJIBSHKNDHGNHW-UHFFFAOYSA-N 413.403 5.233 0 3 HKAF COc1cc(O)cc2c1-c1c(O)cc(cc1O)CCCCCCC/C=C/CCCCC2 14763960 ZYGGJLPOXFHXPT-HWKANZROSA-N 424.581 7.035 0 1 HKAF COc1ccc([C@@H](c2ccc(OCCN3CCCCC3)cc2)c2cccnc2)cc1 28709318 HLEWXLJVILYJFC-SANMLTNESA-N 402.538 5.135 0 1 HKAF CCN(CC)CCNc1nc(Nc2ccc(C(F)(F)F)cc2)nc2ccccc12 29205726 WRGQPOJQFWOGGX-UHFFFAOYSA-N 403.452 5.146 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@@H](C)CC(=O)[C@](C)(CCC(=O)O)[C@@H]3CC[C@]12C 29236375 GOSURFASCRNOMA-VFWJPXDCSA-N 418.662 6.988 0 1 HKAF CCCN1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccc(F)cc3)=NN12 38147838 UHFRRFCLRIADKD-OAQYLSRUSA-N 413.924 5.225 0 1 HKAF CC1(C)COP(=O)(C(/C=C/c2ccccc2)P2(=O)OCC(C)(C)CO2)OC1 40393516 SFQMFMMJVIHHPV-ZHACJKMWSA-N 414.375 5.558 0 1 HKAF CCN(CC)CCNc1nc2c(Nc3ccc(OC)cc3)c3ccccc3nc2s1 40401765 DLHIUDCZBHSILN-UHFFFAOYSA-N 421.570 5.350 0 1 HKAF CCCCc1cnc([C@@H](CCCC)Cc2ccc(-c3ccccc3C(=O)O)cc2)[nH]1 49031724 DHDWHBGBFRLMTK-NRFANRHFSA-N 404.554 6.634 0 1 HKAF O=c1cc(N2CCOCC2)c2ccc(-c3cccc4c3sc3ccccc34)cc2o1 49775603 LUTCJPSQWQZIAL-UHFFFAOYSA-N 413.498 5.665 0 1 HKAF C=CC(=O)Nc1ccc(Oc2ncnc3[nH]cc(-c4cnc5ccccc5c4)c23)cc1 66102531 ZFOWASQZQGPAHJ-UHFFFAOYSA-N 407.433 5.090 0 1 HKAF COc1cccc(SCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 95553944 SBNQIKRIZGIXKT-UHFFFAOYSA-N 406.532 5.703 0 1 HKAF CO[C@H]1Cc2cc(-c3ccc(C)cc3)sc2C2(CCN(Cc3ccccc3)CC2)O1 95556506 ISUYVJXIOQDHFV-XMMPIXPASA-N 419.590 5.760 0 1 HKAF Cc1nc(SCc2ccc(-c3ccc(-c4nnn[nH]4)cc3)cc2)c2ccccc2n1 95602426 BNLBAVCJPYYNAV-UHFFFAOYSA-N 410.506 5.078 0 1 HKAF COc1ccccc1-c1sc(N)c(C(=O)c2ccc(Cl)cc2)c1CC(C)(C)C 103226671 ZEGKLXDIZUJPAB-UHFFFAOYSA-N 413.970 6.479 0 1 HKAF CCc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1 104007863 DRFMDOVIIUGFST-AUSIDOKSSA-N 423.553 5.416 0 1 HKAF Cc1cccc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)NCC2CC2)c1 105173919 VZRQAPJCKSAJDA-GUMYABAYSA-N 418.585 5.074 0 1 HKAF CNC[C@H](c1ccc(-c2c(O)cc(C)c3[nH]c(=O)c4sccc4c23)cc1)C(C)C 165874527 WFMVDHKPGZGFJZ-SFHVURJKSA-N 406.551 5.383 0 1 HKAF Cc1ccc(-c2c(Cc3c(O)ccc4cc(Br)ccc34)c(=O)on2C)cc1 169313014 FTOCCRBBZSADPF-UHFFFAOYSA-N 424.294 5.166 0 1 HKAF O=C(O[C@@H]1CC[C@H]2CC[C@H]1N2C/C=C/Cl)C(O)(C1CCCCC1)C1CCCCC1 169336905 GAWMLQXTZKXSFO-HTKHEISWSA-N 424.025 5.169 0 1 HKAF Cc1c(C2(N3CCCCC3)CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccccc12 204163653 CAIQLNARAAWKLK-UHFFFAOYSA-N 415.625 6.189 0 1 HKAF Cc1cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)ccc1F 204542273 DQEWXMXGRFCOAP-UHFFFAOYSA-N 406.413 5.090 0 1 HKAF Cc1noc(C)c1-c1cc(-c2cccnc2-c2ccccc2)c2nc(C3CC3)[nH]c2c1 219487638 ZTTDZAWIKNDGPB-UHFFFAOYSA-N 406.489 6.441 0 1 HKAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)O[C@@H]3[C@@H](C)CCC[C@H]3C)CN(C)[C@@H]1C2 253648209 WRVDEIUJUYJDJD-JUFRVOBMSA-N 422.613 5.550 0 1 HKAF CCCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C 255286819 ZEGSJVGZMVJHKF-HLZZMBSBSA-N 400.691 7.613 0 1 HKAF CC(C)C/C=C\[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255287369 ZMYWGDOERFHVLQ-SYPAGMPJSA-N 416.646 5.250 0 1 HKAF O=C1c2ccccc2-c2c(Cc3ccc(OC(F)F)c(F)c3)cnc3ccc(O)c1c23 586985393 CPHQOAAHAGBIHI-UHFFFAOYSA-N 421.374 5.483 0 1 HKAF Brc1cccn2ncc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c12 587006867 RKKTVSZUAFQLSK-UHFFFAOYSA-N 419.282 5.219 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4cc5c(cc4[nH]3)CCC(=O)N5)cc2)n1 587022054 TWTJJKGLDSPIPD-UHFFFAOYSA-N 406.536 5.172 0 1 HKAF Oc1ccccc1-c1cc(-c2nc3cccc(Cl)c3[nH]2)c2cccc(Cl)c2n1 587081557 QFADRLZNDGCSPS-UHFFFAOYSA-N 406.272 6.458 0 1 HKAF Oc1ccccc1-c1cc(-c2nc3cc(Cl)c(F)cc3[nH]2)c2cccc(Cl)c2n1 587082370 LWKDNMAAKROXCD-UHFFFAOYSA-N 424.262 6.597 0 1 HKAF FC(F)(F)Sc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2c1 587084883 IFNLRRGYKUSGMU-UHFFFAOYSA-N 406.820 5.952 0 1 HKAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 587160772 GRARBABRSINZFX-NEPJUHHUSA-N 415.184 5.634 0 1 HKAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587162470 CQPYKWJINWCDRY-OAHLLOKOSA-N 416.216 5.134 0 1 HKAF C[C@@H](Oc1ccc(F)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587169053 RKIZTKLDXAVESD-MRVPVSSYSA-N 419.172 5.503 0 1 HKAF COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl 587324886 ARFIGOMQGUFXQW-GMAHTHKFSA-N 412.844 5.468 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCc3cc(Cl)ccc32)[C@H]1c1ccc(F)cc1 587335387 WLUVRUAPYRPMLN-UPVQGACJSA-N 408.856 5.775 0 1 HKAF CCN(C)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587338984 QWLWBBUNRAWAAD-ZCYQVOJMSA-N 405.469 5.262 0 1 HKAF COc1ccc2c(c1)C(C)(C)C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349779 JGNHVZSHALBADK-BVAGGSTKSA-N 418.464 5.476 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC[C@@H]3c2ncccc2O)c1 587363399 MSSPMSRGJWBTDH-IBGZPJMESA-N 422.484 6.225 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3c(F)cccc3Cl)cc1)O2 587381910 NELZUWKNRBJJOX-QFIPXVFZSA-N 411.860 5.655 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3cccc(Cl)c3)cc1)CC2=O 587462088 NGAWJFGQVVTTLF-QHCPKHFHSA-N 408.881 6.497 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc([C@@H](C)CC)cc1)CC2=O 587470864 MRQSCIKCCPOJFC-SSOJOUAXSA-N 403.522 6.355 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](c2ccccc2)Oc2ccccc21 587482262 DLMJRRHJSVCRNH-AOYPEHQESA-N 400.474 5.729 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1nc3ccc(C)cc3s1)CC2=O 587492791 BZTXQCJNQNDRGB-NRFANRHFSA-N 418.518 5.760 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC3=NCCCS3)cc1)CC2=O 587495448 OKTCINNKWITIKN-QHCPKHFHSA-N 410.539 5.130 0 1 HKAF O=C1C[C@@](CCOc2ccccc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587506237 RCASBNLPQBMXJK-MHZLTWQESA-N 416.492 6.034 0 1 HKAF CC(C)(C)c1csc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)n1 587535227 JJJWBSWLPVJGSG-QFIPXVFZSA-N 417.574 6.693 0 1 HKAF C[C@]1(c2cc3c(ccc4ccccc43)o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619798 ZIGQDRDQCNNVOZ-SHQCIBLASA-N 422.436 6.169 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(Cl)ccc2C(F)(F)F)N1 587709842 CTSVYBZVOKZSEU-KWKYVRJSSA-N 423.635 5.279 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2C(F)(F)F)N1 587714127 UZBGRCDQNWIIEN-VPTHRUTESA-N 406.192 5.370 0 1 HKAF CC[C@]1(c2c(F)ccc(F)c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587717998 MBTCNYCKZCOIPR-YYSFKGJASA-N 402.229 5.193 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2cn(C)c3ccccc23)N1 587754555 DWWLIUPJQQODGY-FPGMJQQTSA-N 413.334 5.543 0 1 HKAF COc1cc2c(cc1[C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)CCCC2 587812022 YHMYUUXNBFZGBB-GTJPDFRWSA-N 404.323 5.099 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCC(c3ccccc3)CC2)N1 587823064 OBFYSQCCNZJEBY-FLCDQQBUSA-N 402.351 6.138 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=Cc3c(ccc4ccccc34)OC2)N1 587835569 PXLZZSQFFPRPRS-ZAMGYDSWSA-N 424.313 5.793 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(OC(C)C)c1 587862831 XYRIJOOTBYCRQW-UHFFFAOYSA-N 404.388 5.053 0 1 HKAF Cc1nn(-c2ccccc2)c2sc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)cc12 587875734 HXBBJZHYKLVWND-UHFFFAOYSA-N 416.437 5.192 0 1 HKAF O=C(O)CCc1cc(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O 587942406 XXOHYDFYUGCCPC-UHFFFAOYSA-N 419.475 5.173 0 1 HKAF C[C@H](Oc1ccc2ccc(=O)oc2c1)[C@]1(C)NCCc2cccc(-c3ccccc3)c21 962669914 PTIJFWJADACANI-MYUZEXMDSA-N 411.501 5.288 0 1 HKAF CC(C)(C)c1[nH]c2c(F)cc(F)cc2c1[C@H]1NCCc2cc(-c3ccccc3)ccc21 962672405 YBJCSEKTWCDLPR-VWLOTQADSA-N 416.515 6.646 0 1 HKAF Cc1ccnc2c1CCN[C@@]2(c1cc(Cl)cc(Cl)c1)c1ccccc1Cl 963065545 FHGRUKMNAOJTCB-NRFANRHFSA-N 403.740 5.788 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]2(c1ccc(Cl)nc1)c1ccc(F)c(F)c1 963105166 LZGWYNFZBSECEK-FDDCHVKYSA-N 414.858 5.465 0 1 HKAF O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccc3c(c2)Cc2ccccc2-3)c1 1772616696 HFDIRDAUVQENRZ-UHFFFAOYSA-N 410.904 7.222 0 1 HKAF COc1ccc(CSc2nc3ccc(Cl)cc3c(=O)n2Cc2ccccc2)cc1 1772657424 QKDZMMBZJVDISX-UHFFFAOYSA-N 422.937 5.399 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCC[C@@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]12C 2356430140 HPKNCAAZGBOERA-UNRZKBSHSA-N 410.730 9.985 0 1 HKAF CC(=CCCC(=CC[C@H]1OC(=O)C[C@H]1CO)CO)CCC1=C(C)CCCC1(C)C 2356603098 XYSUNNIWINLBIX-JTHBVZDNSA-N 404.591 5.253 0 1 HKAF COc1ccc(-c2coc3cc(OCC=C(C)CCC=C(C)C)ccc3c2=O)cc1 2356712753 NIHAJZITTDENLE-UHFFFAOYSA-N 404.506 6.540 0 1 HKAF CC(C)[C@@H](C)NC(=O)c1c(-c2ccccc2Cl)noc1-c1c(F)cccc1Cl 2484985 AAXHYCKRCLYAJB-GFCCVEGCSA-N 421.299 6.229 0 1 HKAF c1ccc(-n2cc[n+]3c2[C@H]2c4ccccc4[C@@H]3CC2(c2ccoc2)c2ccoc2)cc1 13741379 WGDONZLYAXXXOL-LOSJGSFVSA-N 405.477 5.376 0 1 HKAF COc1ccc(-c2ccccc2[C@H]2[C@@H]3C=CCC[C@@]3(C)C(=O)N2Cc2ccccc2)cc1 13829781 HSBMVFCIUCQNEN-HPUNYJORSA-N 423.556 6.418 0 1 HKAF COc1ccc(-c2cccc([C@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c2)cc1 13830344 DBKAWFFTGBWKDF-IUAQSZDVSA-N 423.556 6.418 0 1 HKAF Cc1cc2c(cc1O)CC[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 14767681 PZZKGQBMBVYPGR-LOYIFYEOSA-N 402.663 8.223 0 1 HKAF endogenous,in-man O=C1OC[C@H]2[C@@H]1Cc1c(F)cccc1[C@@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1 28823219 CIITXDCSDLBBPO-AEXASODUSA-N 403.428 5.169 0 1 HKAF COc1c(O)cc(-c2ccc(/C=C/C(=O)O)cc2)cc1C12CC3CC(CC(C3)C1)C2 28825690 MKBVCQGYFSHBGC-QPJJXVBHSA-N 404.506 5.633 0 1 HKAF CCN(CC)C(=O)Oc1ccc(C(CC)(CC)c2ccc(N(C)C(C)=O)cc2)cc1C 28950143 OAWOCSDOPLSVSR-UHFFFAOYSA-N 424.585 5.924 0 1 HKAF Cc1cc(NC(=O)c2cccs2)ccc1OC1CCN(Cc2ccc(F)cc2)CC1 45194637 IBQJQAINTBWRBX-UHFFFAOYSA-N 424.541 5.491 0 1 HKAF O=Cc1ccc2c(sc3nc4n(c(=O)c32)CCCCC4)c1Sc1ccccc1 45320851 QXVMXRFGSOCZDL-UHFFFAOYSA-N 406.532 5.301 0 1 HKAF CCCCN(CCCC)CCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 45352190 KPAKJAJCCQOTGF-UHFFFAOYSA-N 409.526 5.447 0 1 HKAF CC(C)=CCN(C/C=C/C(C)=C/C(=O)O)c1cc(C(C)(C)C)cc2c1CCC2(C)C 53267965 JEUQWJGRSIBHCH-QPIUBJHNSA-N 409.614 6.568 0 1 HKAF CC(=O)c1nn(-c2ccc(Cl)cc2)c2nc3sc4c(c3c(=S)n12)CCCC4 64564851 UMFZQFQAPFPBHW-UHFFFAOYSA-N 414.943 5.199 0 1 HKAF CC[C@@H](C)Cn1c(-c2cccs2)nc2c(NCCc3cccc(F)c3)ncnc21 82179633 HDOLPVQWEXJLAM-OAHLLOKOSA-N 409.534 5.395 0 1 HKAF O[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12 101185031 GZFSOKPLNMYPCE-FAQVEIGNSA-N 401.337 5.489 0 1 HKAF Cc1ccccc1-n1ncc(-c2nc(-c3cc(F)ccc3F)no2)c1-c1ccccc1 114564655 OZQXZYFJXPVFFO-UHFFFAOYSA-N 414.415 5.843 0 1 HKAF O=S(=O)(c1ccccc1)N(CC1CC1)c1sc2ccccc2c1Br 115236302 WRKOBBZFBZHIRS-UHFFFAOYSA-N 422.369 5.269 0 1 HKAF COc1ccc([C@@H]2[C@H](c3ccccc3)C(=O)C[C@H](c3ccc(OC)cc3)N2C#N)cc1 169290538 NIWJUDBSUARHMP-LGPLSSKUSA-N 412.489 5.026 0 1 HKAF O=C(Nc1c(Cl)cncc1Cl)NC1CCN(C/C2=C\CCCCCC2)CC1 169362837 JSLPXZSYKVYCES-UUASQNMZSA-N 411.377 5.255 0 1 HKAF C[C@@H]1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2c1c1ccccc1n2Cc1ccccc1 195428649 AONNCUFLRUFGMU-YBGOQADZSA-N 420.512 5.470 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 238735315 YECJZKKYJKAQCL-HXAWZWCQSA-N 414.718 8.169 0 1 HKAF CCC[C@H](C)CCC[C@H](C)C(=O)C[C@H](O)[C@H](C)C/C=C/C1=C(C)CCCC1(C)C 257457980 JSSNFOHEHRIBDT-UQXFBRPZSA-N 404.679 7.658 0 1 HKAF endogenous,in-man O=[S@@](c1cc(Cl)cc(Cl)c1)c1c(O)c(-c2cccnc2)cc2ccccc12 299840306 UXSZYTPHCJCTQM-MHZLTWQESA-N 414.313 6.081 0 1 HKAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 586885153 AEONIFXCHAQYGW-QFYYESIMSA-N 413.237 5.490 0 1 HKAF COc1ccc(C=O)c2cc(-c3nc4cc(Sc5ccccc5)ccc4[nH]3)oc12 586902764 CBKNBASYMJASCQ-UHFFFAOYSA-N 400.459 5.948 0 1 HKAF Cc1c(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)oc2c1[C@@H](O)CCC2 586903991 PGFIWRVEJBHZSO-KRWDZBQOSA-N 401.491 5.778 0 1 HKAF COC(=O)c1cc2[nH]c(-c3sc(-c4ccc(Cl)cc4)nc3C)nc2cc1OC 587014598 NUHXXEQFJJCWHU-UHFFFAOYSA-N 413.886 5.110 0 1 HKAF O=C(O)c1cc(Br)cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c12 587054547 OGMQUHLYDBLDDZ-SNAWJCMRSA-N 412.070 5.501 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(C[C@@H](N)c4ccccc4Cl)[nH]c3c2)cc1 587055364 BBBQBFVLGCEMEA-LJQANCHMSA-N 421.884 5.038 0 1 HKAF O=c1ccc(-c2nc3cc(Cl)c(F)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587056498 NIFXFLUMRZDSIG-UHFFFAOYSA-N 422.674 5.539 0 1 HKAF CCOC(=O)c1ccc2nc(-c3ccc(F)c(-c4ccc(C(C)=O)cc4)c3)[nH]c2c1 587139188 AKVDMZRMGOYOQH-UHFFFAOYSA-N 402.425 5.415 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4ccc5ncccc5c4[nH]3)cc2F)c1 587143264 OUNKZJJEMWSZSW-UHFFFAOYSA-N 403.844 6.246 0 1 HKAF C/C(=C/[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)N(C)C 587376740 PYELJMWEIVWRMC-ZVDABYKSSA-N 423.509 5.313 0 1 HKAF CCOC(=O)c1ccc(-c2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 587399084 HSQOQESPFYZCSV-SANMLTNESA-N 415.489 5.302 0 1 HKAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccccc1C 587401004 TZCQAYLUNZLUGK-QHCPKHFHSA-N 403.478 5.180 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(C)c(OCc4ccccc4)c(C)c1)[C@@H](C2)C3=O 587441554 FNZSWMMWBCGQNG-HFZDXXHNSA-N 400.474 5.380 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(F)ccc(Cl)c1Br)CC2=O 587467349 TWSKLDULCVXPLF-HNNXBMFYSA-N 413.670 5.606 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cn(C(=O)OC(C)(C)C)c3ncccc13)CC2=O 587475296 LRJUEFOXOWMMAX-FQEVSTJZSA-N 422.481 5.184 0 1 HKAF CCOC(=O)c1[nH]c2ccc(F)cc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587506211 JPHQLDPBNUUPQM-FQEVSTJZSA-N 407.441 5.069 0 1 HKAF CCOC(=O)[C@H](C(C)C)[C@@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587523692 MDMVEWXCICAKPE-RPLLCQBOSA-N 420.549 5.347 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)nc1Cl 587555942 MSHYAFYBSMDOQI-CRAIPNDOSA-N 421.758 5.162 0 1 HKAF CC[C@@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557748 SRKFVFRBPKMNIW-XXBNENTESA-N 412.388 5.261 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccco1)c1c[nH]c2ccccc12 587586716 DBUQLHSWYWKJLK-ZEQKJWHPSA-N 423.424 5.372 0 1 HKAF CCO[C@H](C)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587592845 HQIHFSGNMBEPJP-LREARKGRSA-N 404.462 5.367 0 1 HKAF Cc1ccc(-c2nc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cs2)cc1 587609403 BVQXAPMRQNGYKJ-OFNKIYASSA-N 415.470 5.527 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccsc2)cs1 587609865 ALDGCZYJRYDTGP-DENIHFKCSA-N 406.484 5.885 0 1 HKAF Cc1ccccc1-c1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587613091 NILPAAURKSDUGK-OFNKIYASSA-N 415.470 5.527 0 1 HKAF CCOC(=O)Cc1c(-c2ccccc2Br)[nH]c2ccc(F)c(Cl)c12 587628046 FZFJCNMIMTWBMV-UHFFFAOYSA-N 410.670 5.496 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1Cc1c(F)cccc1Cl 587655481 JOTQMBRPOIPFOK-UHFFFAOYSA-N 400.787 5.183 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)cc(C(F)(F)F)c2)N1 587711331 KAABFXHGVQFKRQ-VVVCHXIZSA-N 420.219 5.544 0 1 HKAF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1Cl 587721912 WPXPBEPBXRDDNZ-RBHXEPJQSA-N 402.666 5.013 0 1 HKAF CC(C)COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587789890 DDLXAUDNTMSSBW-QKKBWIMNSA-N 406.339 5.421 0 1 HKAF CC[C@]1(c2ccc(OCC(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795814 RUZMADSUXQDDMQ-OYHNWAKOSA-N 420.366 5.811 0 1 HKAF Cc1ccc(C)c([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587816033 SNCFVGFEUDYFIF-OSPHWJPCSA-N 424.357 6.031 0 1 HKAF CCCc1c(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cnn1-c1ccc(Cl)cc1 587873657 GMXIVPKNGYRDEH-UHFFFAOYSA-N 422.847 5.275 0 1 HKAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cccc(OCc3ccccc3)c2[nH]1 587926856 LQEANNQGMKDUNB-LJQANCHMSA-N 402.494 5.701 0 1 HKAF c1ccc(-c2csc3nc(C4CC4)nc(N4[C@H]5CC[C@H]4CC(N4CCC4)C5)c23)cc1 653664702 AYCSRVUKHGIXPT-OALUTQOASA-N 416.594 5.441 0 1 HKAF Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(-c4ccc(C(=O)c5ccccc5)cc4)cc32)[nH]1 653672852 DBXQEGFDNFRBKN-JLPGSUDCSA-N 418.496 6.022 0 1 HKAF Cc1nn(C(C)C)cc1[C@H]1c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961788128 QMMIVKJVEMXXNF-JOCHJYFZSA-N 410.562 5.013 0 1 HKAF C/C1=C\C[C@]2(C(C)C)CC[C@@](C)(O2)[C@@H](OC(=O)c2ccccc2)CC/C(C)=C/CC1 1772603254 AKGLTDYPASAOIS-XEYDJRIMSA-N 410.598 7.033 0 1 HKAF Cc1cc(C)c(Oc2cc(Cl)nc(NC3CCN(CC4CCC4)CC3)c2)c(C)c1 1772622351 TZEPBAHWFBPITF-UHFFFAOYSA-N 413.993 6.129 0 1 HKAF COC(=O)[C@@H](NC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@@H]12)C(C)C 1772639496 VVKSQPAXXVJEGL-HKXOYCPOSA-N 415.618 5.435 0 1 HKAF CCN(CC)CCCN=c1[nH]c(/C=C/c2ccc(C(C)C)cc2)nc2ccccc12 1857592258 GZRJMHYRKXPHMO-SAPNQHFASA-N 402.586 5.489 0 1 HKAF CCCCCC=CCC=CCCCCCCCC(=O)NCCc1c[nH]c2ccccc12 2356339452 MZFHPXNJDRKZLZ-UHFFFAOYSA-N 422.657 7.640 0 1 HKAF C[C@H](CO)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356343099 IDLRVFXWSUWMHI-YOZNFZECSA-N 418.662 5.332 0 1 HKAF CC1=C(CC[C@@H](C)CO)O[C@@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]12 2356539990 IQDKIMJGXXRZGR-UEGYAUOSSA-N 416.646 5.698 0 1 HKAF COc1cc2c(cc1CC=C(C)C)[C@@H]1COc3c(ccc(OC)c3CC=C(C)C)[C@H]1O2 2356645104 FRRIDYJLRAVGPK-WXVAWEFUSA-N 420.549 6.331 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CCC=C(C)CC[C@@]1(C)C(C)=CCC[C@H]1C 2356784530 OYUKOZCIOIIEID-GJZUVCINSA-N 423.649 6.108 0 1 HKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 2356797957 OQSIUSSWMZBKFL-DRFMBZTNSA-N 416.646 6.453 0 1 HKAF O=C(NCc1ccccc1)[C@H](c1ccccc1)n1c(-c2ccncc2)nc2ccccc21 95598934 OWWOKPSRJKCQOL-VWLOTQADSA-N 418.500 5.004 0 3 HKAF Brc1ccc(-c2nnc3sc(CNCCC4=CCCCC4)cn23)cc1 2467113 JJAKOMDMKSDJKE-UHFFFAOYSA-N 417.376 5.200 0 1 HKAF O=C(Nc1ccc(Cl)c(Nc2nccc(-c3cccnc3)n2)c1)c1ccccc1 3832233 CNXDNYDEXTTZHT-UHFFFAOYSA-N 401.857 5.188 0 1 HKAF CCc1ccc([C@H]2C=CCN[C@@H](c3ccccc3)C(=O)N2Cc2ccc(C)cc2)cc1 13830832 XYEJQXMGABTASH-SXOMAYOGSA-N 410.561 5.528 0 1 HKAF C[C@]12CC[C@]3(C1)[C@@H](CC2=O)C[C@@H](OC(=O)c1ccccc1)[C@@H]1[C@]3(C)CCC[C@@]1(C)CO 25992484 CFPMRJFTBKYCRR-BVHNTTLOSA-N 424.581 5.186 0 1 HKAF C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2SCCc1ccccc1 27986428 IFVPIDGDWGJNFB-YLQMJLPLSA-N 420.618 5.818 0 1 HKAF O=C1CS[C@@H](C23CC4CC(CC(C4)C2)C3)N1c1ccc(Cl)c(C(F)(F)F)c1 28713254 BHGTYLCDDKQKFQ-PDPDEEBBSA-N 415.908 5.981 0 1 HKAF CCC(=C(c1ccccc1)c1ccccc1)c1ccc(OC(C)=O)c(OC(C)=O)c1 28767611 HNISRALWOVLFON-UHFFFAOYSA-N 400.474 5.906 0 1 HKAF c1ccc(C(c2ccccc2)c2ccc(OCCN3CCCCC3)c3ccccc23)cc1 28955494 ULFXOIIUXWKLEP-UHFFFAOYSA-N 421.584 6.885 0 1 HKAF N=C(N)c1ccc2[nH]c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2c1 29338044 FVNZSHQONNMSMB-UHFFFAOYSA-N 403.489 5.984 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCc1ccc(Cl)c(Cl)c1 40408842 NVLAPBMLOFNXHA-UHFFFAOYSA-N 411.741 6.009 0 1 HKAF C[C@H]1CC(=O)[C@](C)(CCC(=O)O)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@@H](C)CCC(=O)O)[C@H]12 40496828 VKFJUKMHHGHLBA-HFRYOROOSA-N 406.563 5.026 0 1 HKAF C[C@@H](CN(C)C)C(=O)Nc1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)c1 45323601 LQVMDSPXOUYWBJ-INIZCTEOSA-N 416.500 5.172 0 1 HKAF CCC(C(=O)Nc1c(Cl)cc(Cl)cc1Cl)(C(F)(F)F)C(F)(F)F 68573043 UMRBPFROVIMJRN-UHFFFAOYSA-N 402.549 6.106 0 1 HKAF biogenic CC1(C)CCC(C)(C)c2cc(N(Cc3ccccc3)c3ccc(C(=O)O)cc3)ccc21 71329875 KGESSLSBONMASD-UHFFFAOYSA-N 413.561 7.072 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@@]21C 78937951 UXFVRWPSABSGRQ-UVVYNIGSSA-N 402.663 6.360 0 1 HKAF in-vitro CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCC2CC2)nc1-c1ccc(F)cc1 82139695 JALRZVMINQBNDR-UHFFFAOYSA-N 418.516 5.075 0 1 HKAF Cc1cccc(-c2nc(NCCOc3ccccc3)ncc2-c2nc(C)c(C)o2)c1 82173153 CIQNPAGXCAXQFB-UHFFFAOYSA-N 400.482 5.215 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 95913934 LXEPWLIYSFZTPE-HRXCMMJZSA-N 414.718 8.025 0 1 HKAF biogenic,in-vitro COc1cccc(F)c1-c1nc2ccn(Cc3ccc(OC(F)(F)F)cc3)cc-2n1 100068549 HXDFYKBNSFVCRE-UHFFFAOYSA-N 417.362 5.145 0 1 HKAF O=C(Nc1ccccc1OC(F)(F)F)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 101098557 YQQSESYILPKSAI-KOMQPUFPSA-N 412.383 5.236 0 1 HKAF CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@@]21C 135622503 CEDAPFOMKGAKTI-NRVHURELSA-N 400.647 6.137 0 1 HKAF CCC[P@@](=O)(Cc1cccc(Nc2cc(-c3cccc(N)c3)ncn2)c1)OCC 169346779 ROMWISXCKBTPPA-LJAQVGFWSA-N 410.458 5.694 0 1 HKAF Cc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccnc2[nH]c(=S)[nH]c(=O)c12 169353758 RNAZYMHNUQJZSX-UHFFFAOYSA-N 410.502 5.618 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(OC)cc2)s1)C3 195232672 MJYUGDRYDHXYRF-FEWTXVTCSA-N 423.578 5.101 0 1 HKAF O=c1oc2ccccc2c(O)c1C1=Nc2ccccc2S[C@@H](c2ccccc2O)C1 473109416 RNLOOBHUCZXALK-OAQYLSRUSA-N 415.470 5.562 0 1 HKAF C[C@]1(c2ccccc2)N[C@@H](c2ncc(-c3ccc(F)cc3)[nH]2)Cc2c1[nH]c1ccccc21 473126390 SKXFCOJKQNLPGO-YIXXDRMTSA-N 422.507 5.848 0 1 HKAF CCCC(Br)(CCC)c1nc2ccc(Sc3ccccc3)cc2[nH]1 586970183 BEPWTTMRZUNAFC-UHFFFAOYSA-N 403.389 6.905 0 1 HKAF CCOc1cc(/C=C/c2nc3cc(C)cc(C)c3[nH]2)cc(Br)c1OC 586978602 YHUVCGWBMGEPPT-VOTSOKGWSA-N 401.304 5.520 0 1 HKAF CCc1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 587018182 VNZAJQFMQXUWIG-UHFFFAOYSA-N 404.358 5.664 0 1 HKAF CC(C)COc1cc2nc([C@H](O)c3ccccc3Cl)[nH]c2cc1Br 587059724 UNFVFJAVGGDVSK-QGZVFWFLSA-N 409.711 5.095 0 1 HKAF CC(C)(C)c1cccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c12 587082493 PYIAQXWECCMLBP-UHFFFAOYSA-N 411.936 7.396 0 1 HKAF COC(=O)c1ccc2[nH]cc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c2c1 587098213 VYPDDIOVCASSKF-UHFFFAOYSA-N 418.452 5.690 0 1 HKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587113521 MJZQSWUDZBBZJF-ZDUSSCGKSA-N 410.443 5.759 0 1 HKAF COc1cc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c2cc1Cl 587122013 OZLDVKAUSPGSMF-UHFFFAOYSA-N 407.779 5.647 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1F 587150624 MRCLDFKHLYUHTI-IBGZPJMESA-N 420.337 5.908 0 1 HKAF Fc1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1F 587179474 WHVLEGUFKQVXMS-UHFFFAOYSA-N 424.110 5.132 0 1 HKAF CC(C)c1ccc([C@@H]2CC(=O)Cc3nc4cccc5c4c(c32)-c2ccccc2C5=O)cc1 587206473 DMFBKJKHUWOASP-QHCPKHFHSA-N 417.508 6.217 0 1 HKAF CCCCOc1cc2nc(C3(NC(C)=O)CCC(C)CC3)[nH]c2cc1Br 587234774 VUFMCLCEUSGDKL-UHFFFAOYSA-N 422.367 5.046 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2F)(C2CCCC2)[C@H]1c1ccc(F)cc1 587329315 DMJLQXGYHQZRAC-AZGAKELHSA-N 420.455 6.115 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc4c(cc2C3)OCO4)c1 587366399 RGJUQCBECVRJJY-UHFFFAOYSA-N 407.425 5.957 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnn(-c3ccc(Cl)cc3Cl)c1C)O2 587377359 WSOVGJMALPJTGQ-NRFANRHFSA-N 416.308 5.259 0 1 HKAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc(C)cc1 587399361 JJWUWUODWLAGLZ-XMMPIXPASA-N 417.505 5.570 0 1 HKAF COc1cc2c(-c3ccccc3)c(C)oc2cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587415266 YZMGOGCDDYLOST-XMMPIXPASA-N 413.473 6.014 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](C2)C3=O 587421813 RSAGCVYHFUMIDC-GUYCJALGSA-N 402.290 5.222 0 1 HKAF O=C1C[C@@H](c2cc3cc4c(cc3nc2Cl)OCO4)Oc2c1ccc1c2CCCC1 587501288 RLWOXUPLVBAGGL-IBGZPJMESA-N 407.853 5.202 0 1 HKAF O=C1C[C@@H](c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)Oc2c1ccc1c2CCCC1 587503672 CAKAQRSIERCVAY-DEOSSOPVSA-N 422.446 6.958 0 1 HKAF Cc1nc(Cl)c(Br)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587505077 UGYQMDBZIYPOJM-FQEVSTJZSA-N 420.734 5.565 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(Cl)c1Cl 587544645 NDZDZNCVSNRAOE-MGPUTAFESA-N 403.217 5.108 0 1 HKAF CC(C)[C@@]1(c2ccc(Cl)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552973 DGBZABVEMCLOQB-OFNKIYASSA-N 412.844 5.698 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(OC(F)(F)F)ccc1F 587553144 DXCQIKGXOIFWHZ-FXAWDEMLSA-N 420.314 5.133 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)CCC[C@]31Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589697 PVMNQSKPWZNPGU-ATIYNZHBSA-N 411.457 5.375 0 1 HKAF COc1ccccc1-c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587599832 HWFZYOYUAJAXEX-SQHAQQRYSA-N 424.452 5.771 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccsc2)nc1 587616924 HHDOMMIKWAUSFK-OFNKIYASSA-N 401.443 5.219 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2ccsc2)n1 587618074 MMOQHFAGFYRCLV-NFBKMPQASA-N 401.443 5.219 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3Cl)o2)N1 587691886 ADUUZQDXAYSHKU-BIBXISHDSA-N 420.709 6.125 0 1 HKAF CC[C@]1(c2c(Cl)cccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587694188 OUJUTFLEVJBGCJ-YPMLDQLKSA-N 417.149 6.083 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2cc(Cl)cc(Cl)c2)N1 587698809 JPOJNWPJXIXDML-XTZNXHDOSA-N 417.149 5.887 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCC(F)(F)F)N1 587715879 XXLDZYXSLBCAAF-DYZYQPBXSA-N 418.228 5.153 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ncc2C(F)(F)F)N1 587717654 XLLHKIXSZYUZQQ-ZIDLFYJRSA-N 423.635 5.279 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3[nH]c4ccc(F)cc4c32)N1 587736810 XBVUFUALMHVNPD-WIUDPPPLSA-N 417.297 5.323 0 1 HKAF Cc1nc(-c2ccccc2)[nH]c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587791983 NSLYRBBOERHVEU-GTJPDFRWSA-N 414.322 5.084 0 1 HKAF Cc1ccccc1-c1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587853032 KKACMBDRWQPSFP-CWTRNNRKSA-N 417.347 5.644 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccs2)N1 587854270 SLVSFHCYKUFZGS-XCLFUZPHSA-N 402.332 5.476 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CNc1ccc(F)cc1 587855130 JEUXMNNDFDMQDO-UHFFFAOYSA-N 408.260 5.147 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccccc1C(F)(F)F 587860863 HFDCSDONRZRXDG-UHFFFAOYSA-N 414.305 5.285 0 1 HKAF CC1(C)CCC(Cc2nc3c(Br)cnc(Br)c3[nH]2)CC1 587961065 DFSHNXFALFFQIC-UHFFFAOYSA-N 401.146 5.242 0 1 HKAF O=C(Nc1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1)c1ccccc1 653768965 LFIQSXIBCCAAPW-UHFFFAOYSA-N 417.419 5.494 0 1 HKAF Oc1nc2cnc3ccc(-c4ccncc4)cc3c2n1-c1cccc(C(F)(F)F)c1 653851598 ZNALUDBWRLTNLI-UHFFFAOYSA-N 406.367 5.360 0 1 HKAF CC(C)(C)[C@@]1(c2cccc(Cl)c2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N21 962672364 SXNZNLCYANHTAT-JWQCQUIFSA-N 422.956 5.277 0 1 HKAF Brc1ccc(Nc2nc(C3CC3)nc3sc4c(c23)CCCC4)cc1 1772583127 KZMYJDUDGHDWPS-UHFFFAOYSA-N 400.345 5.954 0 1 HKAF CC1(C)CCC2=C(C1)C1=CC[C@@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]1(C)CC2 2356470261 UNULJZGBTGCCHL-RKMTVKOKSA-N 410.686 7.843 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 2356654794 KLVOVVGNJIYRRP-YLLIHTPASA-N 412.702 7.801 0 1 HKAF CC(=O)O[C@@H]1CC[C@]2(C)C(=CC=C3[C@@H]2CC[C@]2(C)[C@@H]3CC[C@@H]2[C@@H](C)C=CCC(C)C)C1 2356658567 WYYWMDKEJYOPEU-SVNUZOACSA-N 424.669 7.656 0 1 HKAF CC1=C(CCC(C)C)OC[C@]23CC[C@H]4[C@@H](CC[C@H]5C[C@@H](O)CC[C@@]54C)[C@H]2CC[C@H]13 2356675056 FWDWUWPIWNWLFQ-ILZFLQNTSA-N 400.647 6.727 0 1 HKAF C[C@@H](CCCO)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356758813 JSNPIABEUZFKHK-LYWXVEBZSA-N 402.663 6.195 0 1 HKAF CCCCCC=CCC=CCCCCCCCCCCC(=O)c1ccc(CO)[nH]1 2356786564 AWNQHNQHICBRJH-UHFFFAOYSA-N 401.635 7.674 0 1 HKAF COC1=CC(c2ccc[nH]2)=N[C@]12O[C@H](C)C[C@@H]1CCCCCCCc3ccc([nH]3)[C@H]12 2356791811 IYXCTYVGDOJTOK-GXZJQHSTSA-N 407.558 5.478 0 1 HKAF Cc1nc(C(=O)Nc2ccc(Cl)cc2)sc1[C@@]1(C)CC(c2ccccc2)=NO1 13478214 VLJROBFKOUQEEW-OAQYLSRUSA-N 411.914 5.397 0 3 HKAF O=C(NCc1ccccc1)[C@@H](c1ccccc1)n1c(-c2ccncc2)nc2ccccc21 95598933 OWWOKPSRJKCQOL-RUZDIDTESA-N 418.500 5.004 0 3 HKAF CC(C)c1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 773364 LMYZZEIADLLTEI-NHCUHLMSSA-N 422.500 5.304 0 1 HKAF CC(C)[C@H](C)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(F)cc1Cl 2481918 LGKGIJHEOWTHET-LBPRGKRZSA-N 421.299 6.229 0 1 HKAF CC[C@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(-c2ccccc2)cc1 2483439 ULQZAVAIVXCUTQ-LAUBAEHRSA-N 420.553 5.443 0 1 HKAF COc1cc(O)c(C(=O)CCc2ccccc2)c(O[C@@]2(C(C)C)CC=C(C)CC2)c1 13308437 SEFWPUMBPRKGFS-SANMLTNESA-N 408.538 6.120 0 1 HKAF biogenic CCO[C@H]1C=C(CC/C=C(\C)CC/C=C(\C)CCC2=C(C)CCCC2(C)C)C(=O)O1 14559450 FYOPGZBGCKUNEK-LMPXDQQYSA-N 414.630 7.592 0 1 HKAF COC(=O)c1ccc2c(c1)/C(=C/Cn1cnc3cc(C)c(C)cc31)c1ccccc1CO2 27078285 RBPKTRLUPRSQQC-LSHDLFTRSA-N 424.500 5.464 0 1 HKAF Cc1cc(C)c2oc(-c3ccc(NC(=O)COc4ccccc4C(C)C)cc3)nc2c1 29049761 ATGHNXRTWYGSSA-UHFFFAOYSA-N 414.505 6.253 0 1 HKAF CCN(CC)CCCN(CCCN(CC)CC)c1ccnc2cc(Cl)ccc12 29053392 BPZGWIILUNQVDG-UHFFFAOYSA-N 405.030 5.158 0 1 HKAF Nc1ccccc1NC(=O)CCCCCCNC(=O)c1ccc(-c2ccccc2)cc1 29132992 PBEJGRPYTBRDRK-UHFFFAOYSA-N 415.537 5.255 0 1 HKAF C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)CCC[C@@H]1O 33820667 SMHOCVXBTUJVBK-FBXCIANDSA-N 400.647 6.734 0 1 HKAF CC(=O)c1cccc(NC(=O)Nc2ccc3ncnc(Nc4ccc(C)cc4)c3c2)c1 40880291 RPWUESZURLRMMY-UHFFFAOYSA-N 411.465 5.528 0 1 HKAF O=C(NCCCc1ccccc1)c1ccc(O)c(-c2cc(Cl)cc(Cl)c2)c1 45167716 ACISXSSJGPKKMX-UHFFFAOYSA-N 400.305 5.729 0 1 HKAF Cc1nc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccccc2)sc1C 82162844 YAGDTUCIANURBL-UHFFFAOYSA-N 416.506 5.225 0 1 HKAF Cc1ccc(CNc2ncc(-c3nc(C)c(C)s3)c(-c3cccc(C)c3)n2)cc1 82173841 JOKMOXJKUHQXLO-UHFFFAOYSA-N 400.551 6.113 0 1 HKAF Brc1ccc(C2=N[C@@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 84740300 QLUKDRMUMHFMGR-QHCPKHFHSA-N 414.302 6.531 0 1 HKAF CCCCC1(c2cc(O)c3cc(Cc4ccccc4O)c(=O)oc3c2)CCCCC1 95577429 BTQAIJPHDOPKAX-UHFFFAOYSA-N 406.522 6.187 0 1 HKAF Cc1c(COc2ccccc2F)oc2cccc(OCCNCc3cccnc3)c12 98084821 MKKSDZOTYLXWQT-UHFFFAOYSA-N 406.457 5.023 0 1 HKAF COc1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)cc1O 104003045 JTIQLKQNUPPFNZ-DWXRJYCRSA-N 412.489 6.030 0 1 HKAF Cc1c(N(CCOC(C)(C)C)S(=O)(=O)c2ccccc2)sc2ccccc12 115233874 UYFIMUYXCVYBHW-UHFFFAOYSA-N 403.569 5.220 0 1 HKAF C[C@H]1CC[C@@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 135623148 WQLVFSAGQJTQCK-YVOQUZMQSA-N 414.630 5.714 0 1 HKAF CCC(CC)c1ccc(Cl)c2nc(Oc3c(C)cc(C(N)=O)cc3Cl)n(C)c12 148600384 JLBFPNXGEJTUTF-UHFFFAOYSA-N 420.340 5.983 0 1 HKAF O=C(Nc1cccnc1)c1cc(-c2ccco2)nc2ccc(-c3cccc(F)c3)cc12 150130139 UWAAJRDOUONTCX-UHFFFAOYSA-N 409.420 5.948 0 1 HKAF CCc1ccc(CNC(=O)C2CCN([C@H](C)c3cccc4ccccc34)CC2)cc1 169312111 XPZZHYRWRVPSGO-HXUWFJFHSA-N 400.566 5.492 0 1 HKAF O=C1Nc2ccc(-c3csc(-c4ccccc4)n3)cc2/C1=C/c1cc2ccccc2[nH]1 221766818 SYAHCSSNAJXUFD-STZFKDTASA-N 419.509 6.451 0 1 HKAF CCCCCc1cc(O)cc(O)c1Oc1cc(O)cc([C@@H](O)CCCC)c1C(=O)O 238738481 DODWRALDTTXDEM-SFHVURJKSA-N 418.486 5.250 0 1 HKAF C[C@@H]1CCC([C@H](C)[C@@H]2[C@H](O)C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)=NC1 255214807 HFOSABNORYNULM-MUPURWGESA-N 415.662 5.484 0 1 HKAF C[C@@H]1CC[C@@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2C 256408202 CIBAPVLFORANSS-KSPFACITSA-N 414.630 6.002 0 1 HKAF endogenous,in-man O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc([C@@H]2CC2(F)F)nn1-c1ccccc1 299825653 MYYXEZYNUOTVSQ-HNNXBMFYSA-N 422.357 5.658 0 1 HKAF CC(C)(C)c1cc(C(=O)Nc2ccc(CN)c3ccccc23)n(Cc2ccccc2)n1 299831386 YWFKFASIGXCOQF-UHFFFAOYSA-N 412.537 5.093 0 1 HKAF CN[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 299848411 ORPDGDBKUOHGBE-SGYFMNEUSA-N 401.723 7.696 0 1 HKAF Clc1cccc([C@@H](c2ccc(OCCN3CCCCC3)cc2)c2cccs2)c1 299855905 BXDNADUQMLIFKB-XMMPIXPASA-N 411.998 6.446 0 1 HKAF Nc1ncnc2c1nc(Sc1cc(Cl)cc(Cl)c1)n2CCc1ccccc1 299857427 CVPIOYVUNCZFCF-UHFFFAOYSA-N 416.337 5.109 0 1 HKAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 586892856 XKZNZVXEBSRUAD-VBKZILBWSA-N 417.347 5.506 0 1 HKAF CC(C)CCOc1cc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2cc1Br 586904907 WOKHEBKUWGTQHC-KXBFYZLASA-N 415.331 5.319 0 1 HKAF CCCCc1nc2cccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2o1 586988941 ZYKHAIBAUYVPFW-UHFFFAOYSA-N 420.468 6.303 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cccc(-c4cccc(O)c4)c3)nc3ccc(O)c1c23 586991769 QAQICKUMYMUSPL-UHFFFAOYSA-N 415.448 6.191 0 1 HKAF Clc1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cc1Cl 587018541 GPVKLFXAAYAKQI-UHFFFAOYSA-N 418.305 5.355 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(CO)cc5[nH]4)c23)cc1 587038722 QMKIGRWKQBOSTH-UHFFFAOYSA-N 418.547 5.328 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc3ncccc3c2[nH]1 587069267 DMORSXKMOVEVSP-XGCBERSASA-N 408.332 6.784 0 1 HKAF COC(=O)c1cc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cn1 587071947 NVIMRVDDKCLVNL-XLNBJIGTSA-N 416.308 5.417 0 1 HKAF Clc1cnn(COc2cccc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c2)c1 587081793 GFOLNOKZBVISPN-UHFFFAOYSA-N 416.868 5.909 0 1 HKAF Cc1cc(Br)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1F 587137565 BMMKUPXLYJPRTP-UHFFFAOYSA-N 423.591 5.992 0 1 HKAF CN(C)C(=O)c1ccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2c1 587140472 BBZGOSPPHIAJJG-UHFFFAOYSA-N 423.488 5.502 0 1 HKAF Fc1ccc(/C=C(\c2nc3ccc(CN4CCOCC4)cc3[nH]2)c2cccs2)cc1 587162526 CPFKIPRZVIAOMO-ZHZULCJRSA-N 419.525 5.185 0 1 HKAF O=C(Nc1ccccc1)c1ccc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)cc1 587247059 GBLSHJFJPRSAFW-UHFFFAOYSA-N 421.525 6.633 0 1 HKAF Nc1c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)ccc2ccccc12 587254620 SEFHQQHUJGEWIH-UHFFFAOYSA-N 406.205 5.747 0 1 HKAF C[C@H](c1ccccc1)N1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587345559 PXOYBMHWUIYODO-KAGVRGLPSA-N 417.480 5.096 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](c2ccc(F)cc2)CC3)c1 587359800 IFDZLTADEFGWHI-FQEVSTJZSA-N 409.460 6.874 0 1 HKAF COc1cccc(-c2cc(-c3ccc4c(c3O)CCCC4)nc3c2oc2ccccc23)c1 587367268 VBVPLMPQXKICEH-UHFFFAOYSA-N 421.496 6.908 0 1 HKAF Cc1ccc(SC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587369638 MRASQVYFEIJJJT-UPVQGACJSA-N 408.494 5.750 0 1 HKAF C[C@@]1(c2cc(Cl)sc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370711 AWBMHBQJRGSBAV-PXNSSMCTSA-N 423.292 6.174 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OC(=O)c3ccccc3Cl)c1)O2 587376463 DBNOHKQCXBXNKY-NRFANRHFSA-N 407.853 5.156 0 1 HKAF COc1ccc([C@]2(c3ccccc3Cl)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 587378201 MWOWCDGIIRLUQR-XMMPIXPASA-N 423.896 5.157 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(Cl)c(Br)c1)CC2=O 587456588 RQVJLUKJTUKDFF-FQEVSTJZSA-N 423.734 6.031 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c(Br)ccc(C)c31)CC2=O 587458039 FRHZQBCBTSDOHF-NRFANRHFSA-N 401.300 5.223 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(Cc3ccccc3F)c1C)CC2=O 587465906 IKFDMLNNOWOHKQ-DEOSSOPVSA-N 407.485 5.657 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCC=CCCCCCCCCCC1)CC2=O 587485434 VKLRLZNWGCGZMR-HHHXNRCGSA-N 412.614 7.690 0 1 HKAF C[C@]1(CC(=O)Nc2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587509951 UNOFTAGSXIMXPG-JOCHJYFZSA-N 417.427 5.337 0 1 HKAF Cc1cc2c(cc1[C@]1(C)CC(=O)c3ccc4c(c3O1)CCCC4)C(C)(C)[C@@H](C)C2(C)C 587521773 GESHNMIBSOASHH-YRVHBCJASA-N 416.605 6.959 0 1 HKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccccc1N[C@H]2c1ccccc1 587523106 GYRZYFIACQRUFB-AHKZPQOWSA-N 409.485 5.319 0 1 HKAF COc1cc(-c2ccccc2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587524750 MORVTQDVMRTISF-XMMPIXPASA-N 414.501 5.956 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601468 GJRKOWJZUFOESW-SHQCIBLASA-N 408.453 5.606 0 1 HKAF Cc1cc(C)c2c(c1)[C@@]1(CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606112 BHZDJBOKFAPCEX-SQJMNOBHSA-N 402.446 5.039 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccn2)s1 587614502 SSDUZBHTBDSYIP-OFNKIYASSA-N 401.443 5.219 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(O)c(Cl)c2)N1 587692788 LQNFXIZDCUCLHO-KWKYVRJSSA-N 405.094 5.224 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3ccccn3)c2)N1 587772425 NUCJOZYKDRUYQW-YEJXKQKISA-N 413.290 5.399 0 1 HKAF CC(C)c1ccc2c(c1)[C@@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587816588 AOBVBAWICBGYIX-RCDICMHDSA-N 402.351 5.826 0 1 HKAF Cc1cccc(-c2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 587819751 NFTCQKOAIHVOGX-IQMFZBJNSA-N 410.330 6.187 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2C(C2CCCCC2)(C2CCCCC2)N1 587821185 SWDSCOOTJSTSSY-OAHLLOKOSA-N 408.399 6.478 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)sc1Br 587841443 BMEIGZYPHNPKBM-CLAHSXSESA-N 419.157 5.344 0 1 HKAF CCCCCCc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587846047 GKBVRBFPQOBWQH-RNODOKPDSA-N 410.396 6.396 0 1 HKAF Oc1ccc(-n2c(O)cc(-c3ccc(Cl)cc3Cl)c2O)cc1-c1ccccc1 587927572 WWMGLXBGHYXXPC-UHFFFAOYSA-N 412.272 6.235 0 1 HKAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587928863 CRTRZVBGNNMNMK-UGSOOPFHSA-N 414.349 6.054 0 1 HKAF CCCCOc1cc2nc(CCc3cccc(OC)c3)[nH]c2cc1Br 587932529 ZOWPNTNVWYDOEU-UHFFFAOYSA-N 403.320 5.298 0 1 HKAF CC(C)Cc1ccc([C@@H](C)C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 653757804 DSLUWAYUWZQNQR-GOSISDBHSA-N 410.533 5.005 0 1 HKAF Cc1ccc([C@]2(CCc3c(C)cccc3C)NCCc3ccc(F)c(C)c32)c(C)c1 962091001 KETSSRRSJVCXAP-NDEPHWFRSA-N 401.569 6.390 0 1 HKAF CSc1ccccc1CC[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962899971 OYHOXHQQNIFGRC-WIOPSUGQSA-N 421.537 5.023 0 1 HKAF COc1ccccc1[C@]1(CCc2cccc(F)c2)c2c(F)cccc2C[C@H]2CCCN21 963115209 VCSPGJWHOWTSGJ-AJTFRIOCSA-N 419.515 5.870 0 1 HKAF CCCCNC(=O)Nc1nc(-c2ccc(OC)cc2)c(-c2ccc(Cl)cc2)s1 1772576817 UVMXMSQIZSFVPG-UHFFFAOYSA-N 415.946 6.061 0 1 HKAF CN(C)c1ccc(-c2cnc3cnc(-c4ccc(CNc5ccccc5)cc4)cn23)cc1 1857577048 CULJBPVWUGUJOC-UHFFFAOYSA-N 419.532 5.741 0 1 HKAF CN(C)CCOc1ccc(Nc2c(-c3ccc(F)cc3)c(=O)oc3ccccc23)cc1 1857750933 ZMGAAIUQUDYQED-UHFFFAOYSA-N 418.468 5.283 0 1 HKAF CC(C)CC=C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356444840 KUVJXIWTCCCGQO-YNHNSGJVSA-N 400.691 7.491 0 1 HKAF C[C@@H]1CC(C)(C)CC2=C3C=C[C@H]4[C@](C)(CC[C@H]5C(C)(C)CCC[C@]54C)[C@@]3(C)CC[C@@H]21 2356492101 WLTCUPJPYHDSHH-GLKFQJLOSA-N 408.714 8.974 0 1 HKAF CC(C)C1=CC2=CC=C3C(C)(C)[C@H](OC(=O)c4ccccc4)CC[C@]3(C)C2=C(O)[C@@H]1O 2356531248 UAFNBKSIDYRJDO-CIXCFARBSA-N 420.549 5.674 0 1 HKAF COc1cccc(CN2CC[C@@]2(C)C(=O)Nc2cccc(Oc3ccccc3)c2)c1F 61902568 HDJRSJUGIGKHEP-VWLOTQADSA-N 420.484 5.230 0 3 HKAF O=C(O)CCCOc1ccc(Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 13727311 DUPLKLQDOKUHPA-UHFFFAOYSA-N 413.473 5.843 0 1 HKAF Cc1ccc(CO[C@@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc1C 13744518 VIENDCBBXXVUAM-FQLXRVMXSA-N 411.589 6.115 0 1 HKAF CCCC[C@H](CC)Nc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12 13804983 VZUIFDNKBFRDNH-HNNXBMFYSA-N 406.361 6.096 0 1 HKAF Cc1ccc(C(=O)C[C@H](CC(=O)c2ccc(Cl)cc2)c2cccc(C(=O)O)c2)cc1 27637888 IEEHIXFSCSJMFD-OAQYLSRUSA-N 420.892 5.976 0 1 HKAF CCN[C@H](c1ccc(Cl)c(Cl)c1)[C@H](NCC)c1ccc(Cl)c(Cl)c1 28765271 XPYZJYBYMAZJAO-QZTJIDSGSA-N 406.184 6.302 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@H]2/C(=C/c3occ4c3C[C@@H](O)CC4)CCC[C@]12C 33954004 JDORDYYPUXBNLV-LVOVHCOMSA-N 414.630 6.306 0 1 HKAF Cc1ccc(Cc2cc([C@H]3[C@@H](c4ccc(Cl)cc4)C[C@H]4CC[C@@H]3N4C)on2)cc1 40423497 CPJBQIFONUXPDL-AHCIIZGASA-N 406.957 5.961 0 1 HKAF Clc1cc(Cl)cc(Nc2nc(C(Cl)(Cl)Cl)nc3ccccc23)c1 43024206 GPMJKHMHZCETQM-UHFFFAOYSA-N 407.515 6.507 0 1 HKAF COc1ccc(CCNC(=O)c2ccccc2O)cc1-c1ccc(C(C)(C)C)cc1 45194151 RHQJWERPVJMBSQ-UHFFFAOYSA-N 403.522 5.338 0 1 HKAF c1cc(CNCCc2ccncc2)cc(-c2ccc(-c3nc4ccccc4[nH]3)s2)c1 45322251 OLGUNBSNRCMTPY-UHFFFAOYSA-N 410.546 5.686 0 1 HKAF COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc2ccccc12 49036828 YBMKUIPFJVPTQV-LYZGTLIUSA-N 413.561 6.556 0 1 HKAF CC(C)=CCC[C@@]1(C)C=Cc2c(cc3c(c2O)C(=O)[C@@H](c2ccc(O)cc2O)CO3)O1 59729251 CSZKAJDXUNNJKV-CJAUYULYSA-N 422.477 5.073 0 1 HKAF biogenic Cc1cccc(OCc2ccccc2-c2nnc(SCc3ccc(Cl)cc3)o2)c1 64447290 IKNBSQZFHXCPCO-UHFFFAOYSA-N 422.937 6.570 0 1 HKAF CCCn1ccc2cc(-c3ccc(OCCc4ccccc4)nc3)cc(Cl)c2c1=O 66074070 VUNDIRCRGWKECA-UHFFFAOYSA-N 418.924 5.748 0 1 HKAF CCOc1ccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccco3)n2)cc1 82165990 HLGDREVILZSPCM-UHFFFAOYSA-N 404.470 5.062 0 1 HKAF CCc1cnc(-c2cnc(N[C@H](C)CC)nc2-c2ccc(-c3ccccc3)cc2)s1 82176833 NKGQPNHQKSXECP-QGZVFWFLSA-N 414.578 6.707 0 1 HKAF NCCS[C@](Cc1ccccc1)(c1ccc(Cl)cc1)c1cccc(Cl)c1 84709867 LEJZJCGXVRJLPC-JOCHJYFZSA-N 402.390 6.172 0 1 HKAF CCN(CC)C(=O)[C@H](Oc1ccc(Cl)cc1-n1cccc1)c1ccc(OC)cc1 96168033 DGJOMAQBWUYHDA-JOCHJYFZSA-N 412.917 5.128 0 1 HKAF C=C(Nc1ccc(C(C)(C)C)cc1)N1[C@@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 101498404 KJMLHNUYGCMMLF-FGZHOGPDSA-N 424.610 5.337 0 1 HKAF CC(C)(Oc1ccc(N(CC2CCCCC2)C(=O)Nc2nccs2)cc1)C(=O)O 103243929 YSRRIOQADOALOH-UHFFFAOYSA-N 417.531 5.004 0 1 HKAF C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5CCC[C@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 118913777 KPAQIOMLWLLNBY-WZGOHFOVSA-N 416.646 5.794 0 1 HKAF O=C1CCC[C@@H](c2c(F)cccc2Cl)N1Cc1ccc(OC(F)(F)F)cc1 167358262 VIYKASCCLMMDFJ-INIZCTEOSA-N 401.787 5.632 0 1 HKAF COc1cccc(OC)c1[C@@H]1CC(F)(F)C(=O)N1Cc1cccc(-c2ccccc2)c1 167865826 IQQJHNDTIRISLY-FQEVSTJZSA-N 423.459 5.480 0 1 HKAF CN(CC(F)(F)F)c1nc(NCc2ccc(-c3cccnc3)cc2)c2ccccc2n1 169340807 IRAUNCOHRKGLIK-UHFFFAOYSA-N 423.442 5.302 0 1 HKAF CC[C@@H](CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 248256709 KZJWDPNRJALLNS-GRJSHWFWSA-N 414.718 8.025 0 1 HKAF C/C=C(/CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 255211672 GBBBJSKVBYJMBG-NXDJPYHYSA-N 412.702 7.801 0 1 HKAF CCN(CC)CCOc1ccc(/C=C\c2ccc(-c3ccc(OC)cc3)cn2)cc1 473096722 ZPYNNJSNTDIBRF-SDQBBNPISA-N 402.538 5.648 0 1 HKAF Cc1ccc(Cc2c(-c3ccccc3)sc(N)c2C(=O)c2ccc(Cl)cc2)cc1 473114568 NSXYGYJHEFXXCK-UHFFFAOYSA-N 417.961 6.781 0 1 HKAF CC(C)COc1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2cc1Br 587037701 XEBVOHNNZTWQHF-KRWDZBQOSA-N 421.360 5.278 0 1 HKAF Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 587047678 AELZSSWXHRJWLC-JKSUJKDBSA-N 409.316 6.720 0 1 HKAF COc1cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2cc1Cl 587057778 UUXFKMGXZUBXOL-UHFFFAOYSA-N 423.683 6.371 0 1 HKAF O=C(O)c1cccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 587057793 VAGREFTUPWLBOC-UHFFFAOYSA-N 403.221 5.407 0 1 HKAF CC(C)Oc1cc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2cc1Br 587095762 UOAUJMOCPTYAHJ-UHFFFAOYSA-N 414.225 5.381 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(Br)ccc3Cl)nc3cccc1c23 587102804 YVHIWOAMVSJDNY-UHFFFAOYSA-N 420.693 6.529 0 1 HKAF CC(C)Oc1cc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c2cc1Br 587150517 LTWCQZXMQYWYKL-JTQLQIEISA-N 411.246 5.531 0 1 HKAF Oc1ccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2c1 587160691 AXGYEDICUIOEPE-UHFFFAOYSA-N 400.207 5.024 0 1 HKAF CC(C)(C)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332503 QVLYCMZWQQMJQJ-WIOPSUGQSA-N 424.899 6.485 0 1 HKAF COc1ccc(Cl)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334532 UZVIMMNBUWTRAL-GMAHTHKFSA-N 412.844 5.468 0 1 HKAF CCc1nc2c(s1)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587375482 SVYARCQQAIIUAZ-NZQKXSOJSA-N 409.482 5.141 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)[C@@H](c3ccccc3)C1)O2 587392550 BQMGUFHEGNLQLL-NLFFAJNJSA-N 422.525 5.053 0 1 HKAF CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1ccc(Cl)c(Cl)c1)CC2=O 587458944 ATQBCVUARJZMFZ-YRBAHSOBSA-N 420.336 5.588 0 1 HKAF O=C1C[C@@H](c2ncc(-c3cccc(Br)c3)[nH]2)Oc2c1ccc1c2CCCC1 587506223 WWFNXUSRNJYNFN-FQEVSTJZSA-N 423.310 5.425 0 1 HKAF O=C(COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)c1ccccc1 587525915 WKISECMOWJGCPD-AREMUKBSSA-N 412.485 5.534 0 1 HKAF C[C@]1([C@@H]2CC=C(Br)CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547381 ZUBGMTVJIVWWKC-XMLVGPMBSA-N 415.283 5.191 0 1 HKAF CC(C)N1CCCc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587592041 HEVJANOBAIRYLX-ZEQKJWHPSA-N 415.489 5.256 0 1 HKAF Cc1cccc(C2(c3cccc(C)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587602689 KYSIUJCOPLAREZ-VWLOTQADSA-N 422.480 5.914 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccncc2)N1 587778923 OYFRDUDNNSEFPF-IVZQSRNASA-N 411.318 5.004 0 1 HKAF CC(C)CCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812812 KWJKZXXCSUHUMH-AOMKIAJQSA-N 404.367 6.192 0 1 HKAF CCCCCCc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587815255 LJJARHXELMYJCX-WAIKUNEKSA-N 418.394 6.509 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C2CCCCC2)N1 587820668 PYGJSWJUTAAOHX-OYHNWAKOSA-N 402.351 5.946 0 1 HKAF Cc1cc(C)c2c(c1)[C@]1(CCCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587836130 RSFUPRMRVPNFHS-LHSJRXKWSA-N 404.323 5.155 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccccc3)s2)N1 587846208 HGIVAPCMAYCMAG-ASSNKEHSSA-N 416.359 6.114 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccccc1C 587858899 OVCLEGSTSOAMDX-UHFFFAOYSA-N 405.281 5.283 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc(C)cc1 587858939 QCXLWBCXBHWJHV-AWEZNQCLSA-N 419.308 5.672 0 1 HKAF CCCOc1ccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 587862848 YZOIPEHGARKMES-UHFFFAOYSA-N 404.388 5.055 0 1 HKAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1 587929371 HWTFRWLUIRIJTN-QKKBWIMNSA-N 415.331 5.566 0 1 HKAF Cc1cc(Br)c2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2c1 587949927 NUCPBXQEDZUEQZ-VAWYXSNFSA-N 405.295 6.597 0 1 HKAF CC[C@@]1(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)CC(=O)c2ccccc2C1 587961606 SLOBEZDHDFZCBO-FQEVSTJZSA-N 419.269 5.372 0 1 HKAF COc1ccc2c(c1)[C@H](c1cn(-c3ccc(C)cc3)nc1C(C)(C)C)N[C@@H]1CC[C@@H]21 962998337 VJJILSXSNRZDCU-TUACAJSNSA-N 401.554 5.425 0 1 HKAF COc1ccc2c(c1OC)C(CC(C)C)(CC(C)C)N(C(=O)c1ccccc1N)CC2 963140045 MEDIZXIMRJYKDO-UHFFFAOYSA-N 424.585 5.272 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1cnccc1C)c1ccc(OC)cc1OC 963237916 HJBYQODMOQRRID-CCLHPLFOSA-N 416.565 5.356 0 1 HKAF Cc1cccc(C[C@H]2c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)c1 963856272 WDICMGARHCXAIR-RTWAWAEBSA-N 409.526 5.224 0 1 HKAF CC(C)c1ccccc1NC(=O)Nc1nc([C@@H](N)Cc2ccc(Cl)cc2)cs1 1857577011 SGWJADXELIMKQT-KRWDZBQOSA-N 414.962 5.806 0 1 HKAF N[C@@H](CCc1ccccc1)c1csc(NC(=O)Nc2cccc3ccccc23)n1 1857606510 HWEYWGOKWZLOOL-IBGZPJMESA-N 402.523 5.573 0 1 HKAF S=C(Nc1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccc2c(c1)OCCO2 1857765642 BQJAXDLUOXTAPY-NRFANRHFSA-N 415.518 5.006 0 1 HKAF CC=C(C)C(=O)OC[C@@H]1[C@H](O)CC[C@H]2[C@]1(C)CC=C(C)[C@]2(C)CCc1ccoc1 2356501512 CPPNOLWNGNZSPV-SYJGVCCFSA-N 400.559 5.471 0 1 HKAF Oc1ccc(C=Cc2cc(O)c3c(c2)O[C@@H](c2ccc(O)cc2)[C@@H]3c2ccccc2)cc1 2356515565 SJLDVTZZJYMCTL-IAPPQJPRSA-N 422.480 6.239 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCCC1=C(C)CC[C@]2(C)CCC(C)(C)C[C@@H]12 2356555239 NHVDFWJNPPZOPG-MFMCTBQISA-N 410.730 10.129 0 1 HKAF CC(=CCCC(=CC=CC1=CC(=O)O[C@@H]1O)CO)CCC1=C(C)CCCC1(C)C 2356623480 IXZLFRIHNOJYGA-DEOSSOPVSA-N 400.559 5.296 0 1 HKAF C[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]32)C[C@H]1OC(=O)c1ccccc1 2356745488 FODHMRRHZAVFBM-KKGVURQVSA-N 408.582 6.070 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2C(CC=C3C[C@H](O)CC[C@H]3C)=CCC[C@]21C)C(C)C 2356774023 PEZYBANEVGHIMB-OWOFUSKGSA-N 414.718 8.335 0 1 HKAF CC(C)CC[C@@H]1C[C@H](CC2=CN[C](N)C=C2)C[C@H]([C@@]23CC[C@@H]([C@@H](N)C2)C(C)(C)O3)C1 2356844071 WTMGKIDUAXETRP-GLPNXXQESA-N 414.658 5.012 0 1 HKAF Fc1ccc(-c2nc3ccc(Br)cn3c2Cc2cccc(Cl)c2)cc1 72136841 VNPCWBSYTHDJAF-UHFFFAOYSA-N 415.693 6.147 0 3 HKAF C[C@H](C(=O)NC(C)(C)C)n1c(C(c2ccccc2)c2ccccc2)nc2ccccc21 95567936 WFTJLEBNGKEDTM-LJQANCHMSA-N 411.549 5.692 0 3 HKAF O=C(N[C@@H](CC1CCCCC1)C(=O)O)c1ccc(Cl)c(-c2cccc(Cl)c2)c1 29216113 GBRBUAYVESOSOU-FQEVSTJZSA-N 420.336 5.814 0 1 HKAF Fc1cc(F)c(-c2c(Cl)nc(-c3cccnc3)nc2NCC(F)(F)F)c(F)c1 38334496 ODKBOKAYDWNIFV-UHFFFAOYSA-N 418.728 5.251 0 1 HKAF COc1cc2c(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)[C@H](C(F)(F)F)CCC2 40402461 UOYMONBFUXQTMB-GIWBLDEGSA-N 418.503 5.260 0 1 HKAF CC(C)=CC[C@@H]1C(=O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C1O 40772985 KQCMLQJXSIBOTE-IBGZPJMESA-N 400.559 5.847 0 1 HKAF biogenic Cc1ccc(CN2CCO[C@@]3(C2)CC(C)(C)Oc2ccc(Br)cc23)cc1 40846514 LLIZVZGFJHSUQZ-JOCHJYFZSA-N 416.359 5.046 0 1 HKAF CC(C)NC(=O)c1ccc2c(c1)N=C(/C=C/c1ccccc1)N(CC1CCCCC1)C2 49709134 KZBYFXSADFGPAP-DTQAZKPQSA-N 415.581 5.964 0 1 HKAF CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cccc(C)c21 66065883 BDNAVNHHUCPGAB-UHFFFAOYSA-N 406.570 5.199 0 1 HKAF Cc1c(Sc2ccc(Cl)cc2)c2c(-c3nccs3)cccc2n1CC(=O)O 73156167 JRZXELXZWIBGLD-UHFFFAOYSA-N 414.939 5.962 0 1 HKAF CC[C@@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187084 GNMQCAPENHNOAY-MRXNPFEDSA-N 419.504 5.039 0 1 HKAF c1ccc(Cn2cc[n+]3c2[C@@H]2c4ccccc4[C@@H]3CC2(c2ccoc2)c2ccoc2)cc1 100726812 ZSGXEXDVGCYEDI-UIOOFZCWSA-N 419.504 5.435 0 1 HKAF CC[C@@H](COc1cccc(C(F)(F)F)c1)OC(=O)NCc1ccccc1Cl 103192578 QVJRKJOZMGZLOX-HNNXBMFYSA-N 401.812 5.443 0 1 HKAF COc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3cc4c(cc32)OCO4)c1OC 103667310 UWQULSIWSJIVDX-NRFANRHFSA-N 407.466 5.283 0 1 HKAF COc1cc(F)cc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-c2ccccc2)c1 166894031 ROUDRFVLTWSVAI-JOCHJYFZSA-N 419.496 5.764 0 1 HKAF CC(C)CCCCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O 169621897 DNEGLXLXJLONIP-CCVDTEMHSA-N 406.695 9.251 0 1 HKAF C[C@@H]1C[C@H](CC(=O)O)CCC12CCN(c1cc(OC(F)(F)F)ccc1Cl)CC2 209048402 YXMYUZGNDIAWAU-ZIAGYGMSSA-N 419.871 5.736 0 1 HKAF O=C(Nc1cc[nH]c(=O)c1)c1cc(C(F)(F)F)ccc1Oc1ccccc1Cl 220972659 CBWXHMITTMOYOY-UHFFFAOYSA-N 408.763 5.092 0 1 HKAF CC(C)CC(=O)C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]4(C)C3=CC[C@]12C 261524831 WCONBNFLHMTKFI-FHIBIUEASA-N 416.646 5.539 0 1 HKAF Clc1ccc(Br)cc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 586980558 XWWSLLGVHKEJNF-UHFFFAOYSA-N 413.702 6.225 0 1 HKAF Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1 587048064 POUXCVLCDRITPS-CVEARBPZSA-N 411.357 7.292 0 1 HKAF CCCOc1cc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2cc1Br 587058573 HAAORJNLKXTQGL-AWEZNQCLSA-N 408.727 5.010 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2c(F)cnc(Br)c2[nH]1 587073724 KOMQQCHPCAIBDX-UHFFFAOYSA-N 416.681 6.155 0 1 HKAF O=C(c1ccccc1)c1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587076458 MLCJKJJYBZUDOW-HSZRJFAPSA-N 415.924 5.784 0 1 HKAF FC(F)(F)Sc1ccc(/C=C/c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 587124728 LJCUVPAJOCIHKK-FPYGCLRLSA-N 420.403 6.957 0 1 HKAF Cc1cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1Cl 587170275 MVESEOIOFFLMNG-UHFFFAOYSA-N 421.906 5.193 0 1 HKAF C[C@@H]1CCc2c(F)cccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587340044 WTARACGOYBMYNE-NYEJTYJQSA-N 406.428 5.507 0 1 HKAF COc1ccc(OC)c(Nc2nc(C)c(-c3cc4c5c(cccc5n3)CC4)s2)c1 587358200 BIEGQGKBMPJXBD-UHFFFAOYSA-N 403.507 5.526 0 1 HKAF COc1cccc(-c2cc(-c3ncccc3C(F)(F)F)nc3c2oc2ccccc23)c1 587360547 PXXJYQKZNHZQDF-UHFFFAOYSA-N 420.390 6.737 0 1 HKAF COc1cccc(-c2c(Cc3cccc(OC)c3F)cnc3c2oc2ccccc23)c1 587361134 WTYROEJPXXGBNS-UHFFFAOYSA-N 413.448 6.395 0 1 HKAF CCCOc1c(Cl)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC 587424178 XSIRCNQQNUJUEL-QVKFZJNVSA-N 402.874 5.025 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cccc(Br)c2C[C@@H]1C 587457922 DKVCGSVVTUXFEY-LAJNKCICSA-N 401.300 5.160 0 1 HKAF O=C1C[C@H](c2nc3ccccc3cc2Br)Oc2c1ccc1c2CCCC1 587505955 WOHXCFAFVFYWOR-HXUWFJFHSA-N 408.295 5.583 0 1 HKAF CCCc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587622027 UTUSNWJLQKGKNP-UHFFFAOYSA-N 423.141 6.733 0 1 HKAF CC(C)(C)OC(=O)N1CCC(C(=O)c2c(-c3ccccc3)[nH]c3cc(F)ccc23)CC1 587636973 RECXIMGLIUWJAT-UHFFFAOYSA-N 422.500 5.804 0 1 HKAF Cc1cc(Cl)cc2c1OCCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587701482 UTUOOBGQMAAKOH-MPBGBICISA-N 424.741 5.500 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3cccc(Cl)c3)no2)N1 587704480 UWVQOOFRJCZJIS-APBUJDDRSA-N 421.697 5.520 0 1 HKAF CC[C@]1(c2ccccc2C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587710020 DWVPKPNWIXSNOQ-ADLMAVQZSA-N 416.256 5.795 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F 587719870 RNMBIDTWIMVWII-BMLIUANNSA-N 400.238 5.122 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1ccc(F)cc12 587727815 DOFYPYIWYVGGCI-AMXDTQDGSA-N 412.277 5.534 0 1 HKAF Fc1ccc(Cc2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)cc1 587922660 GPZDNMFFLXKYIG-UHFFFAOYSA-N 402.469 6.827 0 1 HKAF Oc1ccc(OCCCc2ccccc2)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 587944888 JLOHAIMGGUZZAV-UHFFFAOYSA-N 421.443 6.265 0 1 HKAF CC(C)CCCCCCCCCCCCCCCCCc1nc2cccc(O)c2[nH]1 587957896 ZVHXUYVOUMDBBM-UHFFFAOYSA-N 414.678 8.709 0 1 HKAF CCC(C)(C)[C@@]1(c2ccccc2C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962645930 TXZDWCGGTQSTRP-FREGXXQWSA-N 424.632 6.422 0 1 HKAF CC(C)(C)C[C@@]1(c2ccc(Cl)cc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962698703 JGYZNEXHSUQNOF-NTKDMRAZSA-N 418.021 6.523 0 1 HKAF Cc1ccc(C[C@]2(C(F)(F)F)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962701353 KBUCARHLAFGWJS-LAUBAEHRSA-N 409.492 5.498 0 1 HKAF CC[C@H](C)C[C@]1(c2ccc(C3OCCO3)s2)N[C@@H](CC)Cc2c1[nH]c1ccccc21 962944208 HFLGYHMRWCEJPD-XOWTYJCDSA-N 424.610 5.879 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2C12CCN(Cc1ccccc1C(F)(F)F)CC2 963237614 YKINMZYEJQKZIN-LJQANCHMSA-N 416.531 5.853 0 1 HKAF O=C(OCCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)[C@@H]1CN2CCC1CC2 1857552246 TZADATSLTAFDKI-OAQYLSRUSA-N 419.352 5.273 0 1 HKAF CCN(CC)CCN=c1[nH]c(/C=C/c2ccc(C(C)C)cc2)nc2ccc(Cl)cc12 1857575248 AOBLCPKZOSQGBX-NTEUORMPSA-N 423.004 5.753 0 1 HKAF Cn1c2ccccc2c2cc(-c3csc(NC(=O)/C=C/c4ccccc4)n3)ccc21 1857759285 ZVEULFSUFFSOHO-SDNWHVSQSA-N 409.514 6.107 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(F)(F)C(=O)c1ccc2ccccc2c1 1857767465 SGLNKRGDFVBCET-FQEVSTJZSA-N 411.448 5.924 0 1 HKAF CC(=O)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@@]5(C)CCCC(C)(C)[C@H]5CC[C@@]43C)[C@H]12 2356378111 WITVYVWRRGIEDG-XTWYXEPSSA-N 412.702 8.067 0 1 HKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)C3=CC[C@]12C 2356415308 HAJDPRAOKXTNST-ASLOAWAOSA-N 412.614 6.582 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC(C)(C)[C@@H]2CC=C(C)[C@H](CCC(C)=CC(=O)O)[C@@]2(C)C1 2356416203 LEMSFGHOXFQURQ-IZZGNVEXSA-N 402.575 6.084 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356419894 IJWMVKBLTSNFEG-GDYITNONSA-N 412.702 7.657 0 1 HKAF CCC[C@H](C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356424971 AZGBFPDCIYGQGD-AFAADKLXSA-N 414.718 8.025 0 1 HKAF CC(=CCn1c[n+](C)c2nncc(N)c21)CCC=C(C)CC[C@@]1(C)C(C)=CCC[C@H]1C 2356819967 FGSZUHSRIRFSSQ-GJZUVCINSA-N 422.641 5.674 0 1 HKAF N[C@@H](c1csc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)n1)C1CCCCC1 61926332 UGWRFCOEHOLEDT-OAHLLOKOSA-N 414.453 5.266 0 3 HKAF COc1cc(-c2ccccc2)c(OC)c(O)c1-c1ccc(OCC=C(C)C)c(O)c1 579897 YCBXUIGXLWHDKF-UHFFFAOYSA-N 406.478 5.794 0 1 HKAF biogenic CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)Oc1c(C(C)C)cccc1C(C)C 1554842 LZPAYNSEMWKQKL-UHFFFAOYSA-N 423.597 7.114 0 1 HKAF C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(Cl)cc1 13560782 FSHOAPBVJOOOBU-VJTSUQJLSA-N 422.931 6.144 0 1 HKAF O=C(Cc1c(-c2ccccc2)nc2c(Cl)cc(Cl)cn12)NC1CCCCC1 13607405 AMAZBTQKHYNHBZ-UHFFFAOYSA-N 402.325 5.300 0 1 HKAF CCc1cccc(CC)c1Nc1nc(C)nc(NCc2ccc(C(F)(F)F)cc2)n1 13759962 MCAJSOGDZAJQAL-UHFFFAOYSA-N 415.463 5.679 0 1 HKAF CC(C)(COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)SN=O 27330119 WMWHUFIQOLRNHD-UHFFFAOYSA-N 413.326 6.016 0 1 HKAF O=C1Nc2ccccc2[C@@H](c2ccccc2)N1C1CCN(Cc2ccsc2)CC1 28568058 DAQQFJJGQDFBKG-HSZRJFAPSA-N 403.551 5.350 0 1 HKAF CCN(CC)C(=O)Oc1ccc(C2(c3ccc(N(C)C(C)=O)cc3)CCCCC2)cc1 28950156 QKIDAKICFCXWSF-UHFFFAOYSA-N 422.569 5.760 0 1 HKAF O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1Oc1ccccc1 29043965 FDOVTUGCEYLAIA-UHFFFAOYSA-N 407.684 7.083 0 1 HKAF C[C@H](C(=O)OCCc1ccccc1)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 33884387 YMNUQLHCSOVTHI-YYWHXJBOSA-N 408.563 5.671 0 1 HKAF C[C@]12CCC(=O)C(SCc3ccccc3)=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 40511475 GCQDIOXKRNEKFF-ULDDYYNKSA-N 408.607 6.349 0 1 HKAF COc1ccccc1Nc1cc2c(cc1C(C)C)C[C@@H]1[C@](C)(CCC[C@@]1(C)C(=O)O)C2 40865595 ORKYWIJRXLGJEI-ZRJLEYOISA-N 421.581 6.558 0 1 HKAF CC(C)N(C(=O)c1cccc([C@@](O)(c2ccc(Cl)cc2)c2cccnc2)c1)C(C)C 72103093 YAWUKDHKDLAMEH-VWLOTQADSA-N 422.956 5.278 0 1 HKAF CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccc(Cl)cn1)c1ccccc1 72179646 LBLZIBHKMPAHFO-HXUWFJFHSA-N 404.901 5.014 0 1 HKAF O=C(c1cc2ccccc2[nH]1)c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2[nH]1 73200563 WHJOZRMJWLTPQY-UHFFFAOYSA-N 405.820 5.206 0 1 HKAF Cc1cc(=O)oc2cc(Oc3cc(Cl)nc4ccc(Br)cc34)ccc12 98082094 HHLCVGIBALIOMF-UHFFFAOYSA-N 416.658 5.858 0 1 HKAF CC(C)CCC[C@H](C)CCC[C@@H](C)CCCC[C@H](C)CCC[C@H](C)CCCC(C)C 100048948 PRAKJMSDJKAYCZ-GCXHJFECSA-N 422.826 11.084 0 1 HKAF O[C@H]1CCC[C@@H](c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)C1 139164096 HHGBPGARRHXTDJ-AEFFLSMTSA-N 417.534 6.246 0 1 HKAF COc1cc(N[C@H](C)CCCN)c2nc(SCc3ccc(Cl)cc3)ccc2c1 169330200 AIJAXJGHNGZCDZ-OAHLLOKOSA-N 415.990 5.728 0 1 HKAF CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC/C=C\CCCC(=O)O 169636557 SSWITERJJRLGBX-RAKSFWEKSA-N 422.738 9.433 0 1 HKAF COc1c2c(cc3occ(-c4ccc(O/C=C\C(C)C)cc4)c(=O)c13)OC(C)(C)C=C2 238730703 HPZPFWXCCAZKRE-QBFSEMIESA-N 418.489 6.201 0 1 HKAF CCOC(=O)c1sc(Nc2ccc(Br)cc2C)nc1-c1ccccc1 299868848 SMJUMJOBGNFOOC-UHFFFAOYSA-N 417.328 5.801 0 1 HKAF CCOc1cc(/C=C/c2nc3ccc4ncccc4c3[nH]2)cc(Br)c1OC 586978538 WMUBTDJMYJTTRY-RMKNXTFCSA-N 424.298 5.451 0 1 HKAF CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(C(C)(C)C)nc2[nH]1 586982463 ZNMONSJGUMLBFQ-UHFFFAOYSA-N 416.363 6.110 0 1 HKAF O=Cc1cc(Br)cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 586983338 ZFWBSHKXXHKKDL-UHFFFAOYSA-N 407.267 5.384 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1cc(Cl)cc(Cl)c1C4)-c1ccccc1C2=O 586994042 VJOQLSJLAIGAPZ-UHFFFAOYSA-N 402.280 6.633 0 1 HKAF Oc1ncnc2[nH]c(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)nc12 587013681 WTIMTERSUYTBCN-UHFFFAOYSA-N 419.897 5.093 0 1 HKAF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(/C=C\c3ccsc3)[nH]c2c1 587024825 DOXFWTSIBHPXEP-YVMONPNESA-N 415.927 5.249 0 1 HKAF Clc1ccc(-c2cccc3ccccc23)cc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 587051242 ZQCDAUQUZDXKSR-UHFFFAOYSA-N 424.718 7.405 0 1 HKAF FC(F)(F)Sc1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587052293 ZYFBJFHSUGBZRO-NXEZZACHSA-N 403.256 6.753 0 1 HKAF Fc1cc(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)ccc1-c1ccccc1 587145687 OAQVKWPVXQGXNO-UHFFFAOYSA-N 408.476 6.539 0 1 HKAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587148659 CVVDGKJQPHVJIX-ZDUSSCGKSA-N 421.785 5.317 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 587159355 ZSNJZWBAIKOEIP-UHFFFAOYSA-N 418.365 6.126 0 1 HKAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c2)c1 587160101 GTFVXTSDKWQIRF-UHFFFAOYSA-N 424.479 5.876 0 1 HKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(Br)cc(C)c3[nH]2)c1 587238455 JVMVKLVOFHCMQX-UHFFFAOYSA-N 421.342 6.243 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCNc3cc(Cl)ccc32)[C@H]1c1ccc(F)cc1 587335918 XEGGOGQISGQNDB-JTHBVZDNSA-N 409.844 5.255 0 1 HKAF O=C1c2ccc(O)cc2O[C@](C[C@H]2CCOC2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 587358824 QMYQRJXSQLRSEK-KAGVRGLPSA-N 418.464 5.212 0 1 HKAF Cc1ccc(C[C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587358926 YWVYGLMWXWKCBS-RSXGOPAZSA-N 402.465 5.590 0 1 HKAF COc1cccc(-c2cc(-c3ccc4ccccc4c3)nc3c2oc2ccccc23)c1 587366724 YYDXYSZEFLVLOT-UHFFFAOYSA-N 401.465 7.477 0 1 HKAF COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCc1cccc(C)c1 587399319 JALDEWCQRYZEGX-QHCPKHFHSA-N 403.478 5.180 0 1 HKAF COc1cc2c3c(c1)O[C@@]1(C[C@@H](C)CCc4ccc(Br)cc41)[C@@H](C2)C3=O 587420654 YUHWFOVNUNXZSV-BPGAAWKESA-N 413.311 5.073 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](COC(=O)c1ccccc1F)(C(C)(C)C)CC2=O 587465733 HHYGNNDSTCEFFY-DEOSSOPVSA-N 414.473 5.091 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3cccc(F)c3)cc1)CC2=O 587467284 QIDMQZNTLBJLBR-XMMPIXPASA-N 406.453 5.769 0 1 HKAF C[C@@H](Oc1ccc(-c2ccccc2)cc1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587524452 QQNFJILPUANZRX-WHLCRQNOSA-N 412.529 6.424 0 1 HKAF C[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541980 GZXUSPAMCMMYSA-GHTZIAJQSA-N 401.245 5.576 0 1 HKAF C[C@]1(c2cc(F)c(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553388 APSKXEVPGZBGHK-WIYYLYMNSA-N 419.235 5.715 0 1 HKAF COc1ccc2sc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 587617590 KRPMMNPIBHOALV-OFNKIYASSA-N 404.443 5.318 0 1 HKAF CCOC(=O)c1c(-c2cc(F)ccc2Br)[nH]c2ccc([C@@H](C)CC)cc12 587643963 ZECCLUNETYEXKU-LBPRGKRZSA-N 418.306 6.427 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2Br)N1 587677313 KFGCJLWSTDKPLT-BTDLBPIBSA-N 413.128 5.148 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](Cc2ccc(Cl)c(Cl)c2)N1 587691708 DBCFVPQHRCNVBC-VFZGTOFNSA-N 403.122 5.713 0 1 HKAF CC(C)[C@@]1(CCc2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587697059 LFRVKQQFJZFUGZ-SPLOXXLWSA-N 424.785 6.260 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccs3)cc2F)N1 587726076 UEZOIYQTEFKLOY-PRWKNARSSA-N 420.322 6.079 0 1 HKAF CC(C)CCOc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587788975 APDLJNRUIVOJMO-LHSJRXKWSA-N 406.339 5.637 0 1 HKAF CCCCC[C@H](C(=O)OCC)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797121 LTSKYWNFFCWJLW-XBHMSOGKSA-N 414.359 5.097 0 1 HKAF CCCCCC[C@@]1(c2ccc(O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587832460 JQYQAMUJPBGORK-NYHFZMIOSA-N 420.366 6.042 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc2c1OC(C)(C)C2 587836276 ZNTXUCWALPZPHM-HXPMCKFVSA-N 404.323 5.234 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cs2)N1 587849683 VHMMCLKIASRZRR-NXSYQRQQSA-N 405.130 5.036 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc2ncccc2c1 587864557 LTBIYPOSUVMCSA-UHFFFAOYSA-N 411.383 5.204 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C)c2cc(Cl)ccc2n1 587868089 JEJQXSVTJDEEIG-UHFFFAOYSA-N 418.806 5.472 0 1 HKAF CCCOc1cc2nc(/C=C\c3cccc4ccccc34)[nH]c2cc1Br 587968095 KOJWFDMMYQBJKA-KHPPLWFESA-N 407.311 6.438 0 1 HKAF Cc1cccc([C@]2(c3ccc(F)c(F)c3)NCCc3c(Cl)cc(Cl)cc32)n1 963107192 LZMJNFTURVHVBJ-OAQYLSRUSA-N 405.275 5.413 0 1 HKAF Cc1cc([C@H]2NCCc3c(Cl)cc(Cl)cc32)c(C)n1-c1ccnn1C(C)C 963125254 SJLPLRRARLWNOV-OAQYLSRUSA-N 403.357 5.413 0 1 HKAF CC(=O)c1ccc(C(C)=O)c2c(C)c(C(=O)Nc3ccc4ccccc4n3)sc12 1772645907 XBGMAGUWIXOHQY-UHFFFAOYSA-N 402.475 5.415 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1 2356677727 WOPTZWYPTVGOEK-ABTFZAQVSA-N 400.691 7.491 0 1 HKAF O=C1CCC[C@H]2[C@@H](Cc3ccccc3)[C@H](NCC3CCCCC3)CC[C@]23CCCN13 206041385 KBTHKNUDZVHOPI-SPGPFUFCSA-N 408.630 5.339 0 3 HKAF O=C(c1cccc(F)c1)N1CCC[C@@]2(CCN(c3cccc(-c4ccccc4)c3)C2)C1 3956192 QDWSPXHYXKLNLD-MHZLTWQESA-N 414.524 5.625 0 1 HKAF C[C@]12Cc3cnc(-c4ccccc4)nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 4792016 PHBHRCDYKYBQFC-RSFKWRCVSA-N 416.609 5.852 0 1 HKAF CN1C(=O)c2ccccc2Sc2ccc(NC(=O)COc3ccc(Cl)cc3)cc21 8608025 WYRFTXBUDSVBKR-UHFFFAOYSA-N 424.909 5.099 0 1 HKAF aggregator COc1c(CC=C(C)C)cc([C@@H]2CC(=O)c3ccc(O)cc3O2)cc1CC=C(C)C 13485399 UOOVGAFDYLDFRW-DEOSSOPVSA-N 406.522 6.125 0 1 HKAF biogenic CCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCCOC(CO)CO 13679545 WWBKAQQXNUZJLA-GTIIYDKQSA-N 406.651 6.528 0 1 HKAF CCc1nc2c(C)cc(C)nc2n1Cc1ccc([C@H](c2ccccc2)[C@@H](C)C(=O)O)o1 13756214 PZZNIFLEOJFCJK-VGSWGCGISA-N 417.509 5.104 0 1 HKAF O=C(Cc1cccc2ccccc12)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 29042833 QSBYYRVZBKBINO-SXOMAYOGSA-N 412.577 5.253 0 1 HKAF O=C1[C@H](O)Cc2c(-c3ccccc3Cl)cccc2N1c1c(Cl)cccc1Cl 29125813 UMCJNDGRCSMBAA-LJQANCHMSA-N 418.707 5.896 0 1 HKAF CC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(C(C)(C)C)cc1 35816995 PRPFBJLQOIBXJQ-UHFFFAOYSA-N 403.526 6.939 0 1 HKAF COc1oc(C/C=C(\C)CCCCCCCCCSC(C)=O)c(C)c(=O)c1OC 35919799 JETGOHMWHVGCPY-SAPNQHFASA-N 424.603 5.855 0 1 HKAF CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(Br)cc3)ccc2n1 38149801 JIRMOXSVSBTLPR-IZZDOVSWSA-N 410.315 5.184 0 1 HKAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCc1ccc(OC)cc1 43019738 QIISCCNVUJLJPM-NQLNTKRDSA-N 413.646 7.167 0 1 HKAF Cc1ncc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1 43071263 GIFAHWUNLKIYPK-UHFFFAOYSA-N 404.473 5.641 0 1 HKAF CNC(=O)/C=C/c1cnc2ccc(O[C@@H](C)c3c(Cl)ccc(F)c3Cl)cc2c1 45364175 WADWCVLVMLDBOV-DGDCUBRUSA-N 419.283 5.580 0 1 HKAF CC1=C(CC/C(C)=C/CC/C(=C\C=C\C2=CC(=O)O[C@H]2O)CO)C(C)(C)CCC1 45496623 IXZLFRIHNOJYGA-DBNLUOHASA-N 400.559 5.296 0 1 HKAF in-vitro Clc1cnc2[nH]c(Nc3ccc(CCNc4ncnc5ccsc45)cc3)nc2c1 49109909 GWMLTDIKRRDXOE-UHFFFAOYSA-N 421.917 5.014 0 1 HKAF CCN(CCO)C[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(C)(C)C)ccc1N[C@H]2c1ccccc1 49793268 ZPKHWMSZZOQAOU-HRHCJDDBSA-N 422.613 5.301 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](F)CC[C@]4(C)[C@H]3CC[C@@]21C 49872358 FFGSQUBUSNYRPZ-ZRZISDMBSA-N 416.665 7.647 0 1 HKAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc(F)cc2)C1 82139577 CGEPOCMFVSFJKW-ZWKOTPCHSA-N 424.564 5.678 0 1 HKAF CNC(=O)/C=C(\C)c1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 169342703 MDIUCFUCBDTDBT-PKNBQFBNSA-N 411.811 5.152 0 1 HKAF Cc1cc(C)c2c(c1)[C@@H](Nc1cc(-c3ccc4ncsc4c3)nc(C)n1)CCC2 205838752 CPOJZLJZZOFMIE-FQEVSTJZSA-N 400.551 6.168 0 1 HKAF C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]1[C@H]2C 255212558 GMBQZIIUCVWOCD-KMWZDVTMSA-N 416.646 5.794 0 1 HKAF Cc1ccc2nc(C)n(S(=O)(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2c1 299871418 YMHCJYMAWVGXRA-UHFFFAOYSA-N 412.599 6.260 0 1 HKAF COc1cc(-n2cc(Cl)c3ccccc32)cc2c1OCCN(Cc1cccnc1)C2 473130939 MYUCPOTYMVKEJT-UHFFFAOYSA-N 419.912 5.082 0 1 HKAF CCCCOc1cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2cc1Br 586885622 NBDKIBGPZWCLIM-ZHRRBRCNSA-N 411.343 5.876 0 1 HKAF Cc1ccc2c3c(c(CC(=O)O)c(-c4ccc(Cl)cn4)nc13)-c1ccccc1C2=O 586993720 PZQDCCZLMSTWDX-UHFFFAOYSA-N 414.848 5.097 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(Br)cc4N)nc13)-c1ccccc1C2=O 586994107 USFBUWNFHJTOPT-UHFFFAOYSA-N 415.290 5.766 0 1 HKAF CCc1c(-c2cc3c(cc2N)OCCO3)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586996471 NSUDPJWYDPABCW-UHFFFAOYSA-N 422.484 5.337 0 1 HKAF FC(F)(F)c1cc2[nH]c(-c3ccc(Br)o3)nc2cc1Br 587007664 MOSLUIQZFIDNLH-UHFFFAOYSA-N 409.987 5.367 0 1 HKAF FC(F)(F)c1cnc2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc2c1 587015574 QNZQGOAESUCGEM-UHFFFAOYSA-N 415.227 6.074 0 1 HKAF N[C@@H](N=O)c1ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c1 587015599 RWDGICGJPPSAMF-HNNXBMFYSA-N 404.282 5.384 0 1 HKAF Oc1ccc2scc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2c1 587031933 CJIWQKKKMQAXHS-UHFFFAOYSA-N 413.218 5.932 0 1 HKAF COC(=O)c1ccnc2[nH]c(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587071543 OLGLQEHADNXVEK-YFHOEESVSA-N 419.868 5.147 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(Br)c(F)c2[nH]1 587075687 LDLYTYYVEFPUTL-UHFFFAOYSA-N 405.658 5.279 0 1 HKAF Cc1ccc(-c2cc(-c3nc4cc(C)c(Cl)cc4[nH]3)c3cccc(Cl)c3n2)o1 587082603 SJPLYVLJSUIPJC-UHFFFAOYSA-N 408.288 6.962 0 1 HKAF Cc1ccc(-c2cc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)c3cccc(Cl)c3n2)o1 587083087 FWHBOHVGXQCMKU-OAQYLSRUSA-N 417.856 5.724 0 1 HKAF CCc1c(-c2ccc(Br)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587101791 MRQHVYYKTSKCKO-UHFFFAOYSA-N 414.302 6.438 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(Br)c(F)cc3F)nc3cccc1c23 587104081 ROFCJWTUSXTASG-UHFFFAOYSA-N 422.228 6.154 0 1 HKAF Cc1cc(Cl)cc2c1OCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329402 LSGDHWZNRBMANC-XUZZJYLKSA-N 424.855 5.530 0 1 HKAF C[C@]1([C@@H]2C[C@H]2c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331574 HYRRRWWQPVSKJS-PLRSXRBSSA-N 406.428 5.592 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccccc2[C@H](C(=O)O)C3)c1 587365543 ITZXROCRAVDHPR-HXUWFJFHSA-N 421.452 6.048 0 1 HKAF COc1ccc([C@]2(C=C(SC)SC)CC(=O)c3cc(C)cc(N)c3O2)cc1 587410697 WIDMVYWURTYDDX-OAQYLSRUSA-N 401.553 5.014 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1cc(C)ccc1O)(c1ccccc1Cl)[C@@H](C2)C3=O 587418039 GRVBMCUAOCNYJG-MHECFPHRSA-N 406.865 5.054 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC3CCCCC3)c(F)c1)CC2=O 587465089 ANXPOHYXOFQKBD-RUZDIDTESA-N 412.501 6.076 0 1 HKAF CNc1ccc(Cl)cc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500710 NOGQNOPYWBKNNK-SANMLTNESA-N 417.936 6.170 0 1 HKAF O=C1C[C@](c2ccc(F)cc2)([C@H]2CCC[C@@H](C(=O)O)C2)Oc2c1ccc1c2CCCC1 587507144 UMLRQFYFBDGPAL-LGRWACDXSA-N 422.496 5.456 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(C(F)(F)F)cc12 587542621 ALCVXOGPUVZXEA-UGKGYDQZSA-N 412.363 5.214 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1C(F)(F)F 587544466 DZLIWDOEOFGJQY-FXAWDEMLSA-N 404.315 5.253 0 1 HKAF Cc1cccc2c3c([nH]c12)[C@]1(CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590615 SWFVOVZGHVREIX-HFZDXXHNSA-N 411.457 5.375 0 1 HKAF CCCCCc1ccc([C@]2(CC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587603946 SLQAJMDSVHNKSN-SQHAQQRYSA-N 416.517 6.392 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(C1CCCCC1)C1CCCCC1 587604146 UMPDMURPYRXUGE-QHCPKHFHSA-N 406.522 6.253 0 1 HKAF CCCc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623050 XUISPRDQGBHAGK-UHFFFAOYSA-N 422.248 6.445 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2Br)N1 587721751 QLBMDXJJWHARPT-PWJLMRLQSA-N 417.091 5.113 0 1 HKAF CC[C@]1(c2ccc(OC(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587791235 JPHNVDDKHXQOGY-LHSJRXKWSA-N 406.339 5.563 0 1 HKAF CCCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587791419 IGKHXDUBMNYGQA-LRTDBIEQSA-N 422.338 5.399 0 1 HKAF COc1cc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)C 587804895 DAJCMAZWWHQSTH-ZSEKCTLFSA-N 406.339 5.652 0 1 HKAF CCCCCc1ccc([C@]2(CC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587809830 BGVXQXZSVZULRW-HJPURHCSSA-N 418.394 6.509 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccc(O)cc12 587833970 PXWSTUCYEOSVRY-AMXDTQDGSA-N 410.286 5.100 0 1 HKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(Cl)cc(Br)c2[nH]1 587950643 DWKWZLWHLCRZQP-NSHDSACASA-N 401.691 6.272 0 1 HKAF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c12 587966875 HRJCMUFPVFQDMC-YWPYICTPSA-N 415.390 5.653 0 1 HKAF Cc1ccc(-c2cnc([C@@H]3NC4(CC4)Cc4ccc(Br)cc43)o2)c(C)c1 961616107 QTPSHBDYDIJVNV-HXUWFJFHSA-N 409.327 5.489 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(Cl)nc2)(c2ccc(C)c(C)c2)N1 962955295 SASKXAJRSDVTKU-FNZWTVRRSA-N 415.968 6.049 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CNC2CCCCC2)(c2ccc(F)cc2)N1 962957845 ZKGMDSVVCZLVKR-RXFWQSSRSA-N 405.561 5.397 0 1 HKAF CC1(C)CC(=O)C(C[C@]2(c3ccccc3)c3ccc(F)cc3C[C@H]3CCCN32)C(=O)C1 963106338 RKUDLJXQKPPFHQ-ZBLYBZFDSA-N 419.540 5.054 0 1 HKAF COc1ccc([C@@H]2C[C@@H]2[C@]2(c3ccccc3)NCCc3c(Cl)cc(Cl)cc32)cc1 963111805 SHMHWERPEFXFDZ-UMXIMWEHSA-N 424.371 6.195 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1cc(-c2ccc(Cl)c(Cl)c2)no1 963239063 IZVMYLVOANVASA-WNSKOXEYSA-N 415.364 6.569 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1sc(Oc2ccccc2)nc1Cl 963585315 UQMUCMNLVXCQTG-KPZWWZAWSA-N 416.930 5.230 0 1 HKAF O=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1ccc(C(F)(F)F)cc1 1857561306 GXKXVAHDSHIHPM-UHFFFAOYSA-N 409.411 5.033 0 1 HKAF Fc1ccccc1-c1nc2ccn(Cc3nc4ccccc4n3-c3ccccc3)cc-2n1 1857641872 HSBFJBWCPQCMQU-UHFFFAOYSA-N 419.463 5.576 0 1 HKAF CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(CNC(=O)c3ccc(O)cc3)[C@@H]1CC2 1857651357 MTELHUJQXSIXBY-DOEKTCAHSA-N 421.581 5.662 0 1 HKAF COc1ccc(OCCCn2cc(CN3CCCCC3)c3ccc(OC)cc32)cc1 1857749472 JZYHVADPMBANBK-UHFFFAOYSA-N 408.542 5.114 0 1 HKAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@H]2[C@H]3CC(C)(C)CC[C@@]3(C)CC[C@]21C 2356435042 PFZXVVZKPCFFPL-AQHWFQFQSA-N 412.702 8.067 0 1 HKAF CC(C)CC[C@@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356598205 IPYACDRNRIVGLI-NXOHFOIRSA-N 404.679 6.439 0 1 HKAF COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(C(C)C)=CC3=CC[C@H]12 2356638315 ZRSJOCYVVPWHMC-KZKYLIHBSA-N 402.575 5.618 0 1 HKAF CC(=CCCc1ccoc1)CCC=C(C)CCC[C@@H](C)C[C@]1(O)C=C(C)C(=O)O1 2356791330 INSCVBGXYZLIFV-PXDATVDWSA-N 400.559 6.273 0 1 HKAF C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](NCc4ccccc4)[C@@](C)(CC[C@H]21)C3 36387882 RWRHJRIJKIVYFB-LYUSDVTOSA-N 409.614 6.032 0 3 HKAF CC1(C)CCc2cc3c(cc2O1)OC(C)(C)[C@@H]1c2c(ccc4c2CCC(C)(C)O4)O[C@H]31 1617589 RBXIIYKLGLKWAW-DNQXCXABSA-N 420.549 6.282 0 1 HKAF CCCCN(CCCC)CCCOc1ccc(C(=O)c2cn3cccc(C)c3n2)cc1 3776120 MAQUUCFAXIZUFF-UHFFFAOYSA-N 421.585 5.545 0 1 HKAF C[C@H]1CCc2cc3c(cc2N1C(=O)c1ccccc1)CC[C@H](C)N3C(=O)c1ccccc1 3844770 VQFBLKMLTRLLEV-PMACEKPBSA-N 424.544 5.650 0 1 HKAF biogenic CC1=C(O)/C(=C\[C@H](C)CCC/C(C)=C/CCc2coc(Cc3ccoc3)c2)OC1=O 5811375 GOKZWKYAKOVREM-PBSRNTRJSA-N 410.510 6.421 0 1 HKAF OCCCCCCCCCCCOc1ccc(C2OCC3(CC=CCC3)CO2)cc1 5922375 LAEQHLZIZODUQI-UHFFFAOYSA-N 416.602 6.341 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1Cc1cnn(-c3ccc(F)cc3)c1N2 6482539 YCVJEIIUIBLCAU-PWHFEESISA-N 421.560 5.262 0 1 HKAF Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2-c2ccccc2)cc1 8090306 MCNHEQWLEBHUFJ-UHFFFAOYSA-N 414.534 5.282 0 1 HKAF Oc1cc2c(cc1CCCOc1ccccc1)O[C@H](CCc1ccc(Cl)cc1)C2 13453395 KHBILIXKFVEGLK-HSZRJFAPSA-N 408.925 5.994 0 1 HKAF O=C(O)CCCCCCCCN1C(=O)[C@@H](c2ccccc2)N(c2ccccc2)C1=O 13727538 JJFHTUZAYUEGQL-JOCHJYFZSA-N 408.498 5.012 0 1 HKAF Fc1ccc(CO[C@@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc1 13744497 KBLCNIZPWNZNKH-KAYWLYCHSA-N 401.525 5.637 0 1 HKAF O=C(/C=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)Nc1ccc(F)cc1F 13761288 GGFGLRLJUIGKJY-DUXPYHPUSA-N 411.191 5.103 0 1 HKAF CCCCCc1cc(OC(C)=O)c2c(c1)OC(C)(C)[C@@H]1CC[C@H](COC(C)=O)C[C@H]21 26010603 YKGBTFFKORCXHI-PCCBWWKXSA-N 416.558 5.579 0 1 HKAF O=C(O)CC/C=C\C[C@H]1CO[C@H](c2ccc(C(F)(F)F)cc2)O[C@@H]1c1cccnc1 27745005 XOQYYYDNOJHZEH-UWZVJJBGSA-N 421.415 5.314 0 1 HKAF O=C1OC[C@H]2[C@@H]1Cc1cccc(F)c1[C@@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1 28823242 BNNQIOVCRPIUNS-WFAGITPTSA-N 403.428 5.169 0 1 HKAF CCN(CC)CCCNc1ncc(C)c2c1c1cnccc1n2Cc1ccccc1 29391181 UDPVCLJVOZDFPO-UHFFFAOYSA-N 401.558 5.085 0 1 HKAF COc1ccc(CN[C@H](C)c2cccc(F)c2)cc1-c1ccc(C(F)(F)F)cc1 38797380 VWINXACDKLTYJX-OAHLLOKOSA-N 403.419 6.371 0 1 HKAF O=c1c2ccccc2nc(/C=C/c2ccccc2)n1-c1nnc(-c2ccccc2)s1 40845309 FCTMTXITRAGSBP-FOCLMDBBSA-N 408.486 5.075 0 1 HKAF CN(C)C12CCNC([C@H](c3cccc4ccccc34)C1)[C@H](c1cccc3ccccc13)C2 40938307 ITBUBVSCPRMUAT-HZVHRBLSSA-N 420.600 6.317 0 1 HKAF Cc1ccc(Nc2nn3c([C@H](C)c4ccc(CC(C)C)cc4)nnc3s2)c(C)c1 40940141 PMMXRBHWLFZZCW-QGZVFWFLSA-N 405.571 5.897 0 1 HKAF O[C@@H](CNc1ccnc(Nc2cccc(Cl)c2)n1)c1cccc(C(F)(F)F)c1 45319299 BLRYLEYWHVZUJE-INIZCTEOSA-N 408.811 5.038 0 1 HKAF COc1ccc2c(c1)/C(=C\c1c(-c3ccc(C)cc3)nc3sc(C)cn13)C(=O)N2 45496693 ZQIPXXOEAXPMOU-WOJGMQOQSA-N 401.491 5.181 0 1 HKAF Clc1ccc(-n2nc3c4c(ncc3c2OCc2ccccc2Cl)CCCC4)cc1 66066130 RAHUQMWUVSMABB-UHFFFAOYSA-N 424.331 6.185 0 1 HKAF Cc1cnc(-c2cnc(NCC3CCCCC3)nc2-c2ccc(-c3ccccc3)cc2)o1 82176437 DDYZWHXYWBHXHM-UHFFFAOYSA-N 424.548 6.766 0 1 HKAF Cc1ccc2c(c1)CCN2C(=O)Nc1cc(OC(F)(F)F)cc(-c2cccnc2)c1 95555581 CSAIZXBGUBWGKT-UHFFFAOYSA-N 413.399 5.550 0 1 HKAF O=C(O)CCC/C=C/C[C@@H]1[C@@H](COCc2ccccc2)[C@H]2C[C@@]1(c1ccccc1)CO2 100757798 ZREITZXFTXLALN-AMYWKKEPSA-N 420.549 5.377 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@H]1/C(=C/c1ccc(-c4ccc(C)s4)cc1)CN2C3 100950839 WNGKSXJKUCQJJD-RANSVSQKSA-N 407.579 5.400 0 1 HKAF O=C(O)c1ccc(N[C@H](CC(=O)c2cc3ccccc3o2)c2ccc(Cl)cc2)cc1 103175057 XLNAJOPUHCTGRN-HXUWFJFHSA-N 419.864 6.211 0 1 HKAF CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(C(F)(F)F)cc2)C2=C(O)CCCC2=N1 103540624 ZHAQDNHLQWFONI-HXUWFJFHSA-N 419.443 5.999 0 1 HKAF CC(C)=CCC/C(C)=C/C=C/C1=C[C@@]2(C)C[C@@]1(C)[C@@H](/C=C(\C)CCC=C(C)C)CC2=O 169301707 XWYRFBXKAWNVEG-ZWONUOPZSA-N 420.681 8.860 0 1 HKAF CC(C)(C)c1cc(/C=C/c2ccccc2)cc(C(C)(C)C)c1OC[C@H](O)CNC1CC1 169315725 AOQHHQIZHSQEDP-MDRMPYQZSA-N 421.625 5.944 0 1 HKAF C[C@@H](CCC=C1CC1)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@@]45C[C@]35CC[C@]12C 169362088 JPBYBCDJWOLHTR-OMPQJJOWSA-N 424.713 7.923 0 1 HKAF CN(c1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1)c1cccc(F)c1 205308640 NTDBHDKIUXTMBE-UHFFFAOYSA-N 421.903 5.701 0 1 HKAF CC(C)CCC[C@@H]1C(=O)OC[C@]23CC=C4[C@@H](CC[C@@H]5C[C@H](O)CC[C@]45C)[C@@H]2CC[C@H]13 255201965 CFTJBNVECMZNQS-VJWMSEKQSA-N 414.630 5.906 0 1 HKAF CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]([C@@H](C)/C=C/C(C)C)CC[C@H]32)C1 255216962 HJWVRQICRBWPME-VLLVXDOSSA-N 412.658 7.345 0 1 HKAF CCc1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1Br 586977345 LVLGNEKCYOXCDT-UHFFFAOYSA-N 414.528 5.971 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccccc3OC(F)(F)F)nc3ccc(O)c1c23 586987614 ZVDUEUQUENEMCF-UHFFFAOYSA-N 407.347 5.717 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(Oc4ncccn4)cc3)nc3ccc(O)c1c23 586988691 WJMBYZWEPUDCPS-UHFFFAOYSA-N 417.424 5.401 0 1 HKAF CCOc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(OCC)c1 586990138 AKWBLVPWLZNBHG-UHFFFAOYSA-N 411.457 5.616 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc4ccccc4cc3[nH]1)N2 587030923 JUBOICDQGZNVAB-HVOBPNNYSA-N 420.563 5.843 0 1 HKAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(OCc3ccccc3)cccc2[nH]1 587038463 IPZDYKGPRNQMCR-UHFFFAOYSA-N 423.498 5.007 0 1 HKAF Clc1ccc(-c2cc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)ccc2Cl)cc1 587048356 UCGRDRUFFJAHDG-UHFFFAOYSA-N 409.103 6.906 0 1 HKAF Clc1cc(Cl)cc(-c2cncc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c2)c1 587067808 QCTCWWNGJRAQGW-UHFFFAOYSA-N 409.103 6.906 0 1 HKAF Clc1ccc(CN2CCC[C@@H]2c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 587075242 GWPFSDQMKDEACZ-JOCHJYFZSA-N 417.940 6.132 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 587075810 MXVQKFLFFWIFPK-UHFFFAOYSA-N 423.101 5.188 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(N5CCC(O)CC5)cc4)nc13)-c1ccccc1C2=O 587097992 RPAPTXHIZIFQMR-UHFFFAOYSA-N 420.512 5.383 0 1 HKAF Cc1ccc(-c2cccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2)cc1F 587104024 PYHHVBAQEIWXKV-UHFFFAOYSA-N 415.467 7.228 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c(Cl)c2)cc1F 587144552 AFMZFQBBUIYWEH-UHFFFAOYSA-N 405.782 6.412 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1F 587152374 ZXJSWNKTJVILKE-GOSISDBHSA-N 405.326 5.423 0 1 HKAF O=C1c2ccccc2-c2cc(C34C[C@H]5C[C@@H](CC(C(=O)O)(C5)C3)C4)nc3cccc1c23 587207615 TURBUHLODXRVNL-OIUANLJISA-N 409.485 5.369 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 587327608 HEXNLWUEGPCWPV-ISKFKSNPSA-N 408.856 5.775 0 1 HKAF Cc1nc(C2CC2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587376272 PIPMJTZHIAZZDR-AUSIDOKSSA-N 409.482 5.448 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)Oc1ccc(Cl)cc1Cl)CC2=O 587459146 CHOXEZZPZLJFAF-LAJNKCICSA-N 409.309 5.843 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(-c3ccccc3)n(-c3ccccc3)n1)CC2=O 587479424 ZKHGTQRBSNCJHK-SANMLTNESA-N 424.500 5.904 0 1 HKAF O=C1C[C@@H](c2ccc3cc(Br)cnc3c2)Oc2c1ccc1c2CCCC1 587499862 VPNJRHMBCMFFED-NRFANRHFSA-N 408.295 5.583 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(Cl)nccc2c1 587553303 VHCHIXVPIYEAMP-DENIHFKCSA-N 403.821 5.297 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccc(F)cc2)cs1 587567445 APGOMZABUXJGOK-DENIHFKCSA-N 419.433 5.358 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc(F)c1 587569705 IWISUQGJPJERGI-OZXSUGGESA-N 412.416 5.437 0 1 HKAF C[C@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601119 DTWWTTSDPUNWLD-RPLLCQBOSA-N 408.453 5.936 0 1 HKAF CC(C)c1cccc2c1OCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608581 LFGBTUOGXNEYPH-BWKNWUBXSA-N 402.446 5.155 0 1 HKAF CCC[C@@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611934 HQBDPWGXWPWCPM-NQIIRXRSSA-N 400.883 5.764 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(Cl)c(Cl)c2)N1 587693210 IYBLBVZMKVPTJQ-XTZNXHDOSA-N 417.149 5.887 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(Cl)c2Cl)N1 587695111 NBBMBKWSVDMMGU-VVVCHXIZSA-N 403.122 5.693 0 1 HKAF Cc1oc(-c2ccccc2)nc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587773451 INSNMFHMGKKCEZ-LAJNKCICSA-N 415.306 5.349 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3cc(Br)cc(C)c3[nH]2)c1 587779911 JKQBVNDGEMJFBN-UHFFFAOYSA-N 407.311 6.367 0 1 HKAF CCc1ccc(-c2c[nH]nc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587789122 ACEQLTFSWWGBCK-FKIZINRSSA-N 414.322 5.164 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cs2)N1 587845216 CYBJSRDCJZHIOB-NXSYQRQQSA-N 405.130 5.036 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(Br)ccn1 587857190 PLYRBRYDOIPGJP-UHFFFAOYSA-N 413.102 5.402 0 1 HKAF CCOc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)cc1 587865234 XXDUSAGEWCHPMB-UHFFFAOYSA-N 404.388 5.055 0 1 HKAF Cc1cccc(C(=O)Nc2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)cc2)c1 587873753 LLADZGLJQABJNQ-UHFFFAOYSA-N 413.408 5.044 0 1 HKAF CC(=O)N1CCC[C@H](c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)C1 587923540 VPAJTBOKRMJHBK-KRWDZBQOSA-N 419.525 5.823 0 1 HKAF CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](CN1CCCCC1)c1ccccc1 621431474 LKNKNDLJJFVAAI-NRFANRHFSA-N 405.369 5.222 0 1 HKAF COC(=O)c1cc2c(F)c(F)c(Sc3ccc(C(C)(C)C)cc3)c(F)c2s1 653768375 RWCNMDLVDIAFNC-UHFFFAOYSA-N 410.482 6.554 0 1 HKAF O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)Nc1ccc(O)cc1Cl 653882828 FLKQDALXYONUGM-UHFFFAOYSA-N 403.769 5.198 0 1 HKAF COCCCN1CCc2ccc(OC)cc2[C@@]1(CCc1cccc(C)c1C)C1CCC1 961327820 VKJDNSITKBSTIT-MUUNZHRXSA-N 421.625 5.835 0 1 HKAF COc1cc2c(cc1OC)[C@@H](c1nc(-c3ccc(Cl)cc3)cs1)N(C)[C@@H](C)C2 962626615 FXCVJCPNQPUCJW-ZSEKCTLFSA-N 414.958 5.447 0 1 HKAF CC1(C)Cc2[nH]c3ccccc3c(=N)c2[C@]2(C1)NCCc1cccc(-c3ccccc3)c12 962670955 VOECJUQYSHFSGR-GDLZYMKVSA-N 419.572 5.676 0 1 HKAF FC(F)(F)[C@H]1C=C[C@@]2(CC1)NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963831468 GRFDRNYDOZDMHB-SBUREZEXSA-N 412.455 5.616 0 1 HKAF CC1=C[C@H](CNC(=O)C2CCCCC2)[C@H](C(C)C)C[C@@H]1Cc1nc2cccc(C)c2[nH]1 2356309305 WITRYHSZUCBDTN-ZLNRFVROSA-N 421.629 5.965 0 1 HKAF CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H]4CC=C5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@@]3(C)[C@H]12 2356567338 PZTLWJIROQBMKK-VGZKZLLDSA-N 424.713 7.945 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)C=C[C@@]3(CC[C@H]2[C@@]1(C)C(=O)OC)C4 2356614399 SGZWGZMHSKQVTP-UXZJCZDYSA-N 414.586 5.616 0 1 HKAF c1ccc([C@@H]2CC[C@H]3[C@H]2CCC[C@H]3O[C@@H]2CCC[C@H]3[C@@H]2CC[C@H]3c2ccccc2)cc1 2356704679 DDVDENDLNFMFHM-IXFZZOQWSA-N 414.633 7.728 0 1 HKAF COc1cc2c3c(c1C)[C@H](C)[C@H](C)O[C@@H]3c1c(OC)c(C)c3c(c1O2)O[C@H](C)[C@H]3C 2356861321 UHQQHTWESHWNHO-IZBAUMKRSA-N 410.510 5.922 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1[C@@H](O)C3 13387379 MPCLLXXLNXORCU-YCNUQCQXSA-N 402.663 6.504 0 1 HKAF C/C(=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O)CC[C@]1(C)[C@H](C)C(=O)CC[C@H]1C 14856824 IJEHYEVNWOYGMS-WEEUJTPFSA-N 406.950 5.783 0 1 HKAF O=C(CCCCCCc1cccc(Cl)c1Cl)c1ncc(-c2ccccn2)o1 14979903 OOPSZFOFVBJXMF-UHFFFAOYSA-N 403.309 6.419 0 1 HKAF CC1=CC(C)(C)Nc2cc3c(c(F)c21)-c1ccc(F)cc1[C@@H]3OC(=O)C(F)(F)F 26652717 MIOXCNSKJLNGHT-SFHVURJKSA-N 409.354 5.748 0 1 HKAF COc1ccc([C@@H]2[C@H](CCCc3ccccc3)CC(=O)N2c2ccc(OC)cc2)cc1 26749847 HXQJFSJXDVTCRD-AJTFRIOCSA-N 415.533 5.821 0 1 HKAF CN(C(=O)COc1cc(Cl)cc(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCCCC1 27897789 ZGOCECSZFFUJNG-WOJBJXKFSA-N 413.389 5.018 0 1 HKAF C/C=C/C/C=C/C/C=C/CCCCCCCC[C@H]1OC[C@@H](COP(=O)(O)O)O1 28564424 DXOPTPZUSBDQEI-ASGGYNJDSA-N 416.495 5.427 0 1 HKAF c1ccc(-c2ccc(-c3cnc4c(-c5nnn[nH]5)cnn4c3C3CCCCC3)cc2)cc1 34820124 ITFDAKQXQBWKER-UHFFFAOYSA-N 421.508 5.291 0 1 HKAF Cc1c(C(=O)NN2CCCCC2)cc(-c2ccccc2)n1Cc1ccc(Cl)cc1 40935132 OWCXGFDRRJWTIL-UHFFFAOYSA-N 407.945 5.296 0 1 HKAF O=C(NC1(c2ccccc2)CCC1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2Cl)on1 45314677 PPVUIGUDYSYBBA-RTBURBONSA-N 420.940 6.074 0 1 HKAF C[C@H]1CN(CCc2cccs2)CC[C@H]1N(C(=O)c1ccco1)c1ccccc1F 58682753 UYNCWMMWKZSGBI-FXAWDEMLSA-N 412.530 5.080 0 1 HKAF COc1c(CN(C(=O)c2cccs2)c2ccccc2)ccc2c1OC(C)(C)C=C2 72181361 HTJGPJGFRUHDQW-UHFFFAOYSA-N 405.519 5.788 0 1 HKAF COc1ccc(-c2cnc(-c3cnc(N4CCCCC4)nc3-c3ccco3)s2)cc1 82165795 VCNDINGFBLFGRK-UHFFFAOYSA-N 418.522 5.526 0 1 HKAF Cc1cnc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccc(-c3ccccc3)cc2)o1 82176569 KZVLRXPUXCMBOV-OAQYLSRUSA-N 412.493 5.365 0 1 HKAF CC[C@@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCCc3cccc(F)c3)ncnc21 82179482 KCAAUDTYGCJZPD-MRXNPFEDSA-N 419.504 5.039 0 1 HKAF COc1ccc(Nc2nc3cc(C(N)=O)ccc3n2Cc2cccc3ccccc23)cc1 82191408 DANJWOKBECOYNE-UHFFFAOYSA-N 422.488 5.089 0 1 HKAF O=C(c1ccccc1F)N1CCc2sccc2[C@H]1c1ccc(C(F)(F)F)cc1 84671146 NALFRRDOUNYSKT-LJQANCHMSA-N 405.416 5.694 0 1 HKAF CC[C@H](C)C(=O)c1c(O)c(C)c2oc3c(C)c(O)c(C(=O)C(C)C)c(O)c3c2c1O 95560496 FKKMTCXBEPWUBG-VIFPVBQESA-N 414.454 5.093 0 1 HKAF COc1cc(Nc2nc(C)cc(Oc3ccc(Cl)cc3)n2)ccc1-n1cnc(C)c1 95571920 LZQXLCOJLUKEFM-UHFFFAOYSA-N 421.888 5.477 0 1 HKAF COc1cc(Nc2ncc3c(n2)[C@H](c2ccccc2)CCC3)ccc1-c1cnn(C)c1 95574217 NEOIDQOGKDDFHZ-QFIPXVFZSA-N 411.509 5.098 0 1 HKAF O=C([C@H](Nc1ccccc1)c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1ccccc1 95601827 ONGLYJWPJGCEBN-XZOQPEGZSA-N 424.466 6.222 0 1 HKAF O=C(O)c1ccc(OCCCCCCCCCOc2ccc(C(=O)O)cc2)cc1 96906514 VTNYRTRISNPIRI-UHFFFAOYSA-N 400.471 5.272 0 1 HKAF CC1(C)CC2=Nc3cc(C(=O)c4ccccc4)ccc3N[C@H](c3ccccn3)C2=C(O)C1 100632634 AENQUUMXFNYSKC-RUZDIDTESA-N 423.516 6.184 0 1 HKAF CC(=O)N1N=C(c2ccc(Nc3cc(=O)oc4ccccc34)cc2)C[C@@H]1c1ccccc1 103177211 NCJZYQXUIOWIRV-XMMPIXPASA-N 423.472 5.234 0 1 HKAF CCOc1ccccc1[C@@H]1Nc2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C21 103869162 YUTWLGUNBPYWAY-PPHZAIPVSA-N 410.517 6.714 0 1 HKAF Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cnccn3)cc(-c3nccs3)c2)c(F)c1 113769887 RIVYICZLILVSAY-OAHLLOKOSA-N 418.497 5.206 0 1 HKAF Cc1nc2ccc(Cl)cc2c(N2CC(C)(C)c3ccc(-c4ccncc4)cc32)c1C 118093848 VSYSLZCAMXORPK-UHFFFAOYSA-N 413.952 6.996 0 1 HKAF CC(=O)N1CC[C@@](C)(c2ccccc2)c2cc(NC(=O)O[C@H]3C[C@H]4CC[C@H]3C4)ccc21 137817060 ITQQCHPTEKJWCH-MFSGBWHHSA-N 418.537 5.486 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-n3cnnc3)c2)cc(-c2ccc3occ(C)c3c2)n1 141919736 PKUZLFYQUASWHY-INIZCTEOSA-N 410.481 5.260 0 1 HKAF O=C(O)CCCSCc1cccc(-n2ccc3cc(Br)ccc32)c1 169307509 CCCMYKCWZHZMGC-UHFFFAOYSA-N 404.329 5.491 0 1 HKAF CC(C)[C@@]1(O)CCN2C[C@@H]3c4cc(Cl)ccc4CCc4c(Cl)ccc(c43)[C@H]2C1 169316070 INFVMXNNJLLRFF-KIFXHHALSA-N 416.392 5.762 0 1 HKAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(Cl)c(-c2cncc(F)c2)c1 205909036 HKRVBMKCXQZEOL-UHFFFAOYSA-N 411.742 5.087 0 1 HKAF CC(C)=CCC/C(C)=C\CC/C(C)=C/CC/C(C)=C\Cc1cc(CC(=O)O)ccc1O 215679928 KWRMKPPRYRRMKO-FORSWUDQSA-N 424.625 7.708 0 1 HKAF Oc1ccc2c(c1)CCc1ccc(O)c(c1)-c1cc(ccc1O)C=Cc1cccc(c1)O2 255206729 DLWONXBMHBQJCM-UHFFFAOYSA-N 422.480 6.532 0 1 HKAF O=C(Nc1cccc(Nc2nc(Nc3ccccc3)c3cc[nH]c3n2)c1)N1CCCC1 299833886 ANWOUGIEHKDZTG-UHFFFAOYSA-N 413.485 5.073 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 299873089 LNNXWNOUIHYAOR-FBELJFJFSA-N 420.678 5.554 0 1 HKAF CCCCCOc1cc2nc(C3(c4ccccc4O)CC3)[nH]c2cc1Br 586897311 ZRBYKIMNQFJBQR-UHFFFAOYSA-N 415.331 5.680 0 1 HKAF CC(C)(C)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2n1 587027164 PVMHIGHZDLBMOM-UHOSZYNNSA-N 422.598 5.392 0 1 HKAF O=S(=O)(O)c1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1 587052052 WDUONFBTLKREAT-UHFFFAOYSA-N 409.250 5.043 0 1 HKAF Cc1c(Br)cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2c1C 587083810 NFCSMMIWBUYDKC-UHFFFAOYSA-N 412.718 6.325 0 1 HKAF Cc1ccc2c3c(cc(CC(=O)O[C@H](C)c4ccccc4)nc13)-c1ccccc1C2=O 587097779 SRLKPUYLWNXQJY-QGZVFWFLSA-N 407.469 5.602 0 1 HKAF C[C@@H](c1nc2ccc(I)cc2[nH]1)c1ccccc1C(F)(F)F 587097948 MAUOSBVTMBOAIX-SECBINFHSA-N 416.184 5.338 0 1 HKAF C[C@@]1(c2nc3ccc(Sc4ccccc4)cc3[nH]2)C=C(c2ccccc2F)NO1 587153844 AQOSPPNEKPZFDW-QHCPKHFHSA-N 403.482 5.644 0 1 HKAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587164554 WFBAYXYAXZOPEX-HNNXBMFYSA-N 416.216 5.134 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@]43C)[C@@H]1Cc1c2nc2cccc3c2c1CC3 587216317 ZWZGWOUPROEEMP-VSVHPBFTSA-N 401.594 5.751 0 1 HKAF C[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(F)ccc2O1 587330826 FZXSKVMWOQJZRZ-HSJHCEBHSA-N 408.400 5.096 0 1 HKAF COc1ccc2nc(C)c(CC[C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c(Cl)c2c1 587380213 QTTONWRWBQAEPV-DEOSSOPVSA-N 424.928 5.453 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(C(C)(C)C)ccc21 587406478 HRUSQJGRMFEDQJ-MHZLTWQESA-N 411.501 5.328 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccccc3)nc3cc(C)ccn13)CC2=O 587492898 YJMHGHIGPFAKQL-JOCHJYFZSA-N 412.489 5.674 0 1 HKAF Cc1cccn2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(-c3ccccc3)nc12 587513068 AMNRBNHPRVDADW-QHCPKHFHSA-N 408.501 5.895 0 1 HKAF CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587514313 NMMUHTAHSAHWSY-RUZDIDTESA-N 411.542 5.081 0 1 HKAF Cc1sc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1cc(Cl)cn1 587531879 NDINLQOSKZXBJG-FQEVSTJZSA-N 412.942 5.540 0 1 HKAF Cc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587579135 SRIDPMPKDKXQOY-OZXSUGGESA-N 411.457 5.503 0 1 HKAF CC1(C)CCc2nc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)sc2C1 587616589 FGEZETMQJKIJHY-RXVVDRJESA-N 407.491 5.067 0 1 HKAF Fc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccccc2)cc1 587622192 CSADMCWVDLIBIM-UHFFFAOYSA-N 406.258 6.280 0 1 HKAF CCOC(=O)c1c(-c2cc(F)ccc2Br)[nH]c2cc(Cl)c(F)cc12 587629378 MWZMIXITYDBDKZ-UHFFFAOYSA-N 414.633 5.706 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2cccc(Br)c2)N1 587675941 BQWMCEWWXFYNQD-ZUZCIYMTSA-N 413.128 5.169 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)[nH]c3ccccc23)N1 587702113 CZZDPJBYJYWCEE-GIGQVBGESA-N 407.714 5.521 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC2CC2)(c2ccc(Cl)cc2)N1 587702202 OMAQBDFIBIUNIS-MPBGBICISA-N 408.742 5.820 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2ccc(Cl)cc2)N1 587704070 RRKSRVOTQXWXQI-WLRWDXFRSA-N 410.714 5.264 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)nc2C(F)(F)F)N1 587714294 PFOGUWQDKMSSKR-NXSYQRQQSA-N 423.635 5.279 0 1 HKAF COc1c(F)cc(F)cc1CC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587722567 SQWXZOXAERQDAT-QLJPJBMISA-N 414.265 5.083 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccccc2F)N1 587730693 XNRZYGSYKWIYAP-FKIZINRSSA-N 403.270 5.142 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccco2)N1 587736800 UHFNZZBFXZEJDE-FKIZINRSSA-N 404.254 5.146 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(Br)c(F)cc4[nH]3)c2)cc1O 587785636 DJBJGXLKSISRLI-UHFFFAOYSA-N 413.246 5.513 0 1 HKAF CC[C@]1(c2ccc([C@H](C)OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587791591 KDSADDJFRUZZNI-HKZYLEAXSA-N 406.339 5.483 0 1 HKAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC(C)C)c1 587792766 MRIUWMCPLWIZFG-FKIZINRSSA-N 408.311 5.008 0 1 HKAF CCCCCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587797987 WWASPVHWWOKRNS-OYHNWAKOSA-N 420.366 6.171 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCC(c3ccccc3)CC2)N1 587823061 OBFYSQCCNZJEBY-CWSSPWHGSA-N 402.351 6.138 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1[nH]c2ccccc2c1N 587859857 NKKZESKHYFVURL-UHFFFAOYSA-N 415.280 5.008 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1cccc(C(F)(F)F)c1 587871412 VYQRMLFKTSHBRI-ZDUSSCGKSA-N 422.378 5.214 0 1 HKAF COc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc(-c3ccccc3)nn2)cc1 653710305 RWUGCFLCOXYEKS-RUZDIDTESA-N 406.489 5.508 0 1 HKAF Cc1ccc(C)c([C@]2([C@H]3CC[C@H](C(=O)O)CC3)c3ccc(F)cc3C[C@@H]3CCCN32)c1 963087374 CKQZWTVZUYOQOJ-ZSHGOAHXSA-N 421.556 5.598 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]21C 2356384837 CTEZGKJAIWCKTQ-KSRYMFKYSA-N 416.646 5.250 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1cc(O)cc2c1OC(=O)C2 2356413792 KNRFZVZIHDOQLP-UHFFFAOYSA-N 422.609 7.542 0 1 HKAF CC(C)=CCC[C@](C)(O)CCCC(C)=CCc1c(O)c(Cl)c(C)c(C(=O)O)c1O 2356418733 UPKGCCJDPUMZAM-QHCPKHFHSA-N 424.965 5.914 0 1 HKAF CC(=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)CC(C)C 2356510483 BGSMFVUPLGHSLT-CDZSUCCGSA-N 400.691 7.635 0 1 HKAF COC(=O)CCC(=O)OC[C@@]12C=C[C@@]3(CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC1)C2 2356524719 CDAYKMDGHCTLJK-QCFNLOJCSA-N 402.575 5.452 0 1 HKAF CCCCCc1cc(O)cc(O)c1Oc1cc(O)cc([C@H](O)CCCC)c1C(=O)O 2356610100 DODWRALDTTXDEM-GOSISDBHSA-N 418.486 5.250 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC(=O)C=C1C[C@H]3O 578913 POUKDTOWHPHYQU-VFHWOTOUSA-N 416.646 5.683 0 1 HKAF biogenic CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccccc2)cc1 4050608 MRCVHRWLMIBMDA-UKILVPOCSA-N 412.533 5.392 0 1 HKAF CCCCC/C=C/C/C=C/CCCCCCCCOC(=O)c1c(O)oc(CO)c1O 4766632 GLEOGGPNGFKUEF-AVQMFFATSA-N 422.562 6.153 0 1 HKAF C[C@H]1[C@H]2[C@H]3OC[C@]1(COC(=O)Nc1ccccc1)[C@H](C)C[C@@]2(C)Oc1ccccc13 12656349 UONFBIWUOHBYQS-KSLRLJCDSA-N 407.510 5.436 0 1 HKAF CS(=O)(=O)c1ccc(-c2oc3ccccc3c(=S)c2-c2ccccc2F)cc1 13487286 VORJOHUOIIZBBT-UHFFFAOYSA-N 410.491 6.039 0 1 HKAF COc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)oc3ccccc3c2=S)cc1 13487288 IARSHKZCSWBZPL-UHFFFAOYSA-N 422.527 5.908 0 1 HKAF COc1ccccc1-c1ccc(/C=C/[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@H]32)nc1 13673168 GAHWURBBRGNZKA-LACMMDMLSA-N 417.549 5.774 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2cccc(N(C)C)c2)CCCC1 13736836 SRDBSCZOVOCRQA-UHFFFAOYSA-N 421.629 6.633 0 1 HKAF Cc1ccsc1/C(=C\CCN1CCC=C(C(=O)O)C1)c1cc(Cl)cc(Cl)c1 13827948 KLZAMWMJOJPENN-IPKBDRFQSA-N 422.377 5.902 0 1 HKAF CC[C@@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4ccccc4C)oc3C)ccc21 28565234 KCTSMXXWKQWOHK-NFBKMPQASA-N 419.521 5.721 0 1 HKAF O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)Nc1ccc(F)cc1F 36443659 BSOYYTFVSQOXTL-UHFFFAOYSA-N 407.445 6.399 0 1 HKAF CCC1=NN(C(=O)Nc2cccc(C)c2)C(CC)=NN1C(=O)Nc1cccc(C)c1 40641487 HNMKPNUBFKQHTA-UHFFFAOYSA-N 406.490 5.132 0 1 HKAF CCCc1ccc(C(C)(C)c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)cc1 40893735 MZOOIDJUCGIQIU-DHIUTWEWSA-N 404.594 7.282 0 1 HKAF Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccc2onc(C)c2c1 40956751 WODRSNVHNZQNNW-UHFFFAOYSA-N 412.493 5.359 0 1 HKAF CCc1cnc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2cccc(C)c2)s1 82173117 LJCBPFWQORITNM-UHFFFAOYSA-N 420.969 6.403 0 1 HKAF CC1=C(CCC2=C(C)CC[C@H]3C(C)(C)CCC[C@]23C)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 86031301 ZZGUCDDZQIFCSE-SRPPIYJJSA-N 410.730 9.652 0 1 HKAF CC(=O)c1cc(-c2ccccc2S(C)(=O)=O)c2cc(Oc3ccccc3)ccn12 95920943 DNOOBVIUDXIJGO-UHFFFAOYSA-N 405.475 5.005 0 1 HKAF in-vitro O=[S@@](CCNCCCc1ccccc1)C(c1ccc(F)cc1)c1ccc(F)cc1 103246684 IICLPRRTXKMOAA-GDLZYMKVSA-N 413.533 5.025 0 1 HKAF COP(=O)(OC)[C@@H](OC(=O)COc1c(Cl)cccc1Cl)c1ccccc1 103292591 WHHOVQPRDZBOAL-QGZVFWFLSA-N 419.197 5.100 0 1 HKAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1ccc(-c2ccc(C)cc2)o1 103995568 YKPZLXLAKYLUSU-IAMBOQNYSA-N 409.482 5.456 0 1 HKAF COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccc(O)cc4)C3=C(O)C2)cc1 104693352 BMOGOUHFGLSSSS-HFJWLAOPSA-N 412.489 6.030 0 1 HKAF CCC[C@@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1O)CCCC3 113122780 KQZJWAGZEBEZMA-QGZVFWFLSA-N 409.551 6.133 0 1 HKAF CCC[C@@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccccc1Cl)CCCC3 113123679 OJFUIABBRPQLEH-MRXNPFEDSA-N 413.970 6.772 0 1 HKAF Cc1nn(Cc2ccc(/C=C/c3ccc(C(F)(F)F)cc3)cc2)c(C)c1CC(=O)O 113990578 ABLSCNVAYZOKFJ-ONEGZZNKSA-N 414.427 5.365 0 1 HKAF CC[C@H](CC(C)C)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 138164744 WVNIISADYSWCOG-VJSFXXLFSA-N 414.718 8.025 0 1 HKAF CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)[C@H]2C(=O)CC(C)(C)CC2=N1 169724258 LVJNXLPLFAZAJC-DHIUTWEWSA-N 420.940 5.796 0 1 HKAF CN(C(=O)[C@@H]1CCCN1Cc1cc(Cl)ccc1Cl)c1ccccc1OC1CC1 205198418 AIPYMKQUSCSVER-FQEVSTJZSA-N 419.352 5.162 0 1 HKAF Clc1cnc2[nH]c(C3CCNCC3)cc2c1-c1cccc(NCc2ccccc2)n1 220184344 OKINEZSFMAVHAZ-UHFFFAOYSA-N 417.944 5.357 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)C5=CC[C@]43C)[C@@H]2C1 238752689 HANKWAXOCUEZTC-BEGPYRORSA-N 422.697 8.297 0 1 HKAF CC[C@H](O)[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C)C4=C(CC[C@@]32C)[C@@]2(C)CC[C@H](O)C[C@@H]2CC4)O1 255211395 FYCHCUOBOSKILL-MGGAIWSOSA-N 416.646 5.779 0 1 HKAF C[C@@H]1CCc2sc(-c3nc4cc(-c5nc6ccccc6s5)ccc4[nH]3)cc2C1 587034812 ZGBVHNKGCGDHCY-CYBMUJFWSA-N 401.560 6.693 0 1 HKAF Brc1cc2nc([C@@H]3Cc4ccccc4S3)[nH]c2cc1Br 587041130 AAEFVMKQGUZKSJ-AWEZNQCLSA-N 410.134 5.477 0 1 HKAF c1ccc(C[C@@H]2N[C@@H](c3nc4ccc(Sc5ccccc5)cc4[nH]3)CS2)cc1 587042695 WBUKGZQXUQCZLQ-FGZHOGPDSA-N 403.576 5.660 0 1 HKAF CC(C)CCOc1cc2nc(CNc3ccccc3Cl)[nH]c2cc1Br 587060630 QKCHIELREJBLFA-UHFFFAOYSA-N 422.754 6.016 0 1 HKAF Cc1nc(-c2ccccn2)sc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587102495 VQBCDYDUXISPFK-UHFFFAOYSA-N 419.509 6.249 0 1 HKAF Cc1c(-c2cc(C(F)(F)F)ccc2F)nc2cccc3c2c1-c1ccccc1C3=O 587104465 VPQJMFKSOLYZHD-UHFFFAOYSA-N 407.366 6.580 0 1 HKAF FC(F)(F)Oc1cccc(CSCc2nc3cc(Br)cnc3[nH]2)c1 587126528 YCNFDESORMWNGT-UHFFFAOYSA-N 418.238 5.052 0 1 HKAF Fc1c(F)c(F)c(/C=C/c2nc3ccc(OCc4ccccc4)cc3[nH]2)c(F)c1F 587135199 VUGZUDFRPMQIIU-VQHVLOKHSA-N 416.349 6.008 0 1 HKAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587150583 NFHDUHANSNZVOX-SSDOTTSWSA-N 421.163 5.762 0 1 HKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(Br)cc(F)cc3[nH]2)cc1 587159248 VJKRYHYLJOUJQM-UHFFFAOYSA-N 413.221 5.750 0 1 HKAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3cccc(C(C)(C)C)c3[nH]2)c(C2CC2)n1 587232221 OYPNPGYWVNYKJC-UHFFFAOYSA-N 420.557 5.825 0 1 HKAF Nc1ccccc1-c1ccc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)cc1 587250880 RCDRCMOAWWBQKB-UHFFFAOYSA-N 403.791 6.031 0 1 HKAF CC(C)(C)[C@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352074 IETPXQSLFFEIOD-SHQCIBLASA-N 418.508 6.308 0 1 HKAF O=C1c2ccc(O)cc2O[C@](/C=C2\CCCO2)(c2ccccc2)[C@H]1c1ccc(F)cc1 587358850 QOEUNYQNWGIGHO-KMNJIXJWSA-N 416.448 5.480 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccccc3)nc1-c1ccc(C)c(C)c1)O2 587392929 XREPSJGIXAPXEO-RUZDIDTESA-N 423.516 5.753 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](OC(C)C)c1ccccc1)O2 587399777 KBDXJKDMZFNHCL-CLJLJLNGSA-N 401.506 5.604 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)s1)(C1CC1)CC2=O 587495182 PREOAZHRAXJXMM-LJQANCHMSA-N 407.329 5.439 0 1 HKAF O=C1C[C@H](c2cccn2-c2cccc(Cl)c2Cl)Oc2c1ccc1c2CCCC1 587505793 LMTRZCOINUUFPY-OAQYLSRUSA-N 412.316 6.369 0 1 HKAF COc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1 587508796 TWVLZZXFCQQQKU-AREMUKBSSA-N 418.920 6.136 0 1 HKAF CC(C)(C)OC(=O)N1Cc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C1 587518541 KUVUKLAOWZXXJJ-QHCPKHFHSA-N 419.521 5.523 0 1 HKAF CC[C@@]1(c2cc(F)c(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587556373 JMVVJAGCTZCNGB-AVRDEDQJSA-N 400.352 5.077 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2ccccc2F)c1 587569168 PGYOMJPXGLFHOW-JYFHCDHNSA-N 412.416 5.901 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(F)(F)F)(c2ccccc2)N1 587708964 GRXWACLYPCDCRY-APPDUMDISA-N 402.229 5.318 0 1 HKAF COc1cc(Cl)cc(F)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587722958 UTZUJDTUSOHUNM-RBHXEPJQSA-N 402.666 5.013 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2Br)N1 587726302 ICLCJLOBDVZPOX-VPTHRUTESA-N 417.091 5.113 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccn(-c3ccccc3F)c2)N1 587730068 WSHAGXPSIGLEEC-YUNKPMOVSA-N 403.270 5.142 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2N)(C2CCCC2)N1 587745612 GCXGHOGVKHCEEH-YEJXKQKISA-N 403.339 5.138 0 1 HKAF C[C@@H](C[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)c1cn(C)c2ccccc12 587759799 VPMFRHSESMEABN-KSMMKXTCSA-N 415.350 5.849 0 1 HKAF COc1cc2c(cc1[C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)CCCC2 587812523 ZTZJLNXYUJCHLI-LAJNKCICSA-N 404.323 5.099 0 1 HKAF CCCCCC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587814626 VAHUKAGNVCMKIR-OPAMFIHVSA-N 404.367 6.336 0 1 HKAF COc1cccc(-c2cc(O)n(CC[C@H](c3ccc(F)cc3)c3ccco3)c2O)c1 587945110 JJDKGBXFMNMJCJ-HXUWFJFHSA-N 407.441 5.529 0 1 HKAF CCCCOc1cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2cc1Br 587965428 SMQDBCMAOGVROK-UHFFFAOYSA-N 415.375 6.344 0 1 HKAF Cc1ccc(C)c2c1CCC[C@@]21NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962951570 FKXSSQPTJRCROL-XMMPIXPASA-N 415.499 5.554 0 1 HKAF COc1cccc2cc3c(nc12)[C@@](c1ccc(C)cn1)(c1cccc(C)c1C)NCC3 963037934 QWIFFNZQBPDQPS-MHZLTWQESA-N 409.533 5.001 0 1 HKAF C[C@H](c1ccccc1)n1c([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)nc2ccccc21 963112547 PYHDAKSLNFOOLP-JDITYXQVSA-N 411.524 5.895 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CS(=O)(=O)c1ccccc1)c1ccccc1 963241141 LULICSJYBXNHSG-QFQXNSOFSA-N 419.590 5.061 0 1 HKAF O=C(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccc(Br)cc2c1=O 1772583846 OWXXWSGLWGSRRH-UHFFFAOYSA-N 404.263 5.189 0 1 HKAF COc1ccc(CSc2nc3ccc(C)cc3c(=O)n2-c2ccccc2OC)cc1 1772593173 PTQGQIGZYZEZSU-UHFFFAOYSA-N 418.518 5.004 0 1 HKAF CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Cn1c2ccccc2c2ccccc21 1857617036 MIRXREJQKHHEQX-UHFFFAOYSA-N 410.439 5.862 0 1 HKAF COc1cc(-c2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)[nH]2)cc(OC)c1O 1857618495 NULLIAYVIAVVPO-UHFFFAOYSA-N 400.478 5.750 0 1 HKAF Cc1ccccc1-c1c(C(=O)c2ccccc2)[nH]c(N)c1C(=O)c1ccc(Cl)cc1 1857635916 FNKFJQXVFKZFRD-UHFFFAOYSA-N 414.892 5.688 0 1 HKAF CCCCCCc1cn(Cc2cc3c(nc2C)-c2cc(C)c(C)cc2CCC3)nn1 1857763453 KUEXOVYMFDIJCQ-UHFFFAOYSA-N 402.586 5.925 0 1 HKAF C[C@@H]1[C@@H](N(C)C)CC[C@]23C[C@@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13 2356425027 CYRRFNXMEABDML-DPQHOMKDSA-N 400.695 5.916 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@]2(C)CCCC(C)(C)[C@H]2CC[C@]13C 2356464948 GNSWPULAOZONLL-FGXOJWHKSA-N 410.730 9.342 0 1 HKAF CC(=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)[C@@H](C)C(C)C 2356553065 MNBTWOPOWPOHGH-FNLBYEANSA-N 410.686 7.721 0 1 HKAF COc1ccc(-c2noc(-c3ccccc3)c2C(=O)NCc2ccccc2F)cc1 774291 ODRBNNDQNLDGKO-UHFFFAOYSA-N 402.425 5.086 0 1 HKAF CCC[C@@H](c1ccccc1)N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1 13610690 GUXOKTNDTLBAEY-FQEVSTJZSA-N 412.965 5.902 0 1 HKAF CCCCCCOc1c(Br)cc(CCC(=O)O)cc1Br 13643210 FVDRTJXVCUAOCA-UHFFFAOYSA-N 408.130 5.188 0 1 HKAF in-vivo C[C@@H]1C(=O)c2c(n(O)c3ccc(Cl)cc3c2=O)C[C@H]1c1ccc(Cl)cc1Cl 27091163 ZUZNTCRLGKBFRH-TVQRCGJNSA-N 422.695 5.358 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 27520250 INBGSXNNRGWLJU-VDPKLVTDSA-N 402.663 6.504 0 1 HKAF Cc1ccc(C(=O)c2cccc([C@H](C)CN3CCCC[C@@H]3CC3CCCCC3)c2)cc1 29414078 AOIPFTOSYMPHIE-QDPGVEIFSA-N 417.637 7.154 0 1 HKAF CCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1cc(F)cc(F)c1 40567347 RZEOXVSNEKKXDA-UHFFFAOYSA-N 403.904 5.881 0 1 HKAF CN1CCCc2ccc(NC(=O)/C=C/c3ccc(-c4ccc(F)cc4F)o3)cc2C1 45194351 YBVAQQMFAWHBSH-DHZHZOJOSA-N 408.448 5.255 0 1 HKAF COc1cccc(Nc2nc(C)cc(NCc3ccc(-c4c(C)noc4C)cc3)n2)c1 45230747 ZRJBCMRMCUMDTD-UHFFFAOYSA-N 415.497 5.421 0 1 HKAF c1ccc2c(c1)[nH]c1c[n+](CCCCC[n+]3ccc4c(c3)[nH]c3ccccc34)ccc12 49067651 SSYCWZNSAIARNS-UHFFFAOYSA-P 406.533 5.401 0 1 HKAF CCc1ccc(C2=NN(CN3c4ccccc4Sc4ccccc43)C(=O)CC2)cc1 49807994 LHOOYFJZBRFRIU-UHFFFAOYSA-N 413.546 5.836 0 1 HKAF COc1ccc(C(=O)N(Cc2csc(-c3ccccc3)n2)C2CCCCC2)cc1 72127824 AKCJUUTZUDUMRE-UHFFFAOYSA-N 406.551 5.794 0 1 HKAF O[C@@H](c1ccc(Oc2ccccc2)cc1)c1nnc(Nc2ccccc2Cl)s1 82081772 IWRRCBOMVSFBPX-IBGZPJMESA-N 409.898 5.809 0 1 HKAF CC[C@H](C)Nc1ncc(C(=O)N(C)CC(C)C)c(-c2ccc(-c3ccccc3)cc2)n1 82160061 HYUGMWFMVVKSSU-IBGZPJMESA-N 416.569 5.749 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccccc2)nc2c(NCCc3ccc(F)cc3)ncnc21 82186996 UHVQFHHZOQLFDK-QGZVFWFLSA-N 403.505 5.333 0 1 HKAF O=C(O)C1=CC[C@@H]2C[C@H]3[C@H](CC[C@@H](O)/C=C/C=C/c4ccccc4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 84688544 ROFUKMLUAVIQAH-SSPKNKPCSA-N 402.534 5.112 0 1 HKAF O=C1C[C@@H](c2ccccc2)C(=O)N[C@@H](c2ccccc2)C/C=C\C[C@H](c2ccccc2)N1 95662085 GPBYDCUKLUJVJM-RVRXMZCVSA-N 424.544 5.225 0 1 HKAF CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cccc(OC)c1 104693210 WBORABUOQPBWII-DEOSSOPVSA-N 404.510 5.898 0 1 HKAF C[C@]1(O)CC[C@@H](c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)C1 139163503 NKMTUVVLEAOPMD-GYCJOSAFSA-N 417.534 6.246 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-c2ccncc2)c1 167329603 URZVYLCWCFRJGT-OAQYLSRUSA-N 402.494 5.020 0 1 HKAF CC1CCN(c2c(S(=O)(=O)c3cccc(F)c3)cnc3ccc(Cl)cc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c1c(C)c2c(c(C)c1O)C=C[C@](C)(COCc1cc(-c3ccc(F)cc3)no1)O2 299838916 OXDLAOPYXQDOBP-XMMPIXPASA-N 409.457 5.493 0 1 HKAF C[C@H](CCC(=O)NC1CC1)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 299845671 IAVBGQKLTMHRCG-YFQPCIPMSA-N 413.646 5.621 0 1 HKAF Cc1ccc2nc(/C=C/c3ccc(C(F)(F)F)cc3)nc(NCCN(C)C)c2c1 299863805 LOCNWMCDIGOWAE-YRNVUSSQSA-N 400.448 5.101 0 1 HKAF COC(=O)c1cc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c(F)c1Nc1ccccc1 586882955 DEMORYCAFHQPRE-XVTPHWQTSA-N 419.500 5.700 0 1 HKAF Cc1cc(Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)ccc1Br 586975746 FJYCANRQHBSUHK-UHFFFAOYSA-N 407.311 5.804 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2nc(Cl)c(Cl)cc2[nH]1 586979787 BGBRVPICIDXHML-UHFFFAOYSA-N 422.113 5.793 0 1 HKAF CC(C)(C)c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 586999291 YLKWQAZGZQDPKX-JLHYYAGUSA-N 421.338 7.053 0 1 HKAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)cs1 587019462 NUGLNZGDOKOIQL-UHFFFAOYSA-N 418.309 5.561 0 1 HKAF COC(=O)c1cc(Br)c2[nH]c(-c3cccc(-c4ccsc4)c3)nc2c1 587026825 YCIHWEHCDUHBPJ-UHFFFAOYSA-N 413.296 5.508 0 1 HKAF Cc1c(Br)ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 587064117 BBLIUROLXZKIBH-UHFFFAOYSA-N 417.690 6.126 0 1 HKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(Br)ncc(F)c2[nH]1 587066154 GIMPKZDMQNJBHO-UHFFFAOYSA-N 405.658 5.279 0 1 HKAF COC(=O)c1cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cn1 587072190 XJQQSOVUIKFJDG-JXMROGBWSA-N 419.868 5.147 0 1 HKAF Cc1cc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2cc1F 587082451 OTLQURYUCGPEFO-UHFFFAOYSA-N 403.844 6.252 0 1 HKAF COC(=O)c1ccnc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc12 587082974 XQRAWWASQPGHMD-UHFFFAOYSA-N 414.852 5.280 0 1 HKAF CCOC(=O)CCc1c(-c2ccccn2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587097373 NYEPODFJGMKCDU-UHFFFAOYSA-N 422.484 5.312 0 1 HKAF CCOC(=O)c1ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 587159389 OHWFMQLTFKCDGA-OAQYLSRUSA-N 424.859 5.701 0 1 HKAF CN1CCN(c2ccc3nc(/C(=C/c4ccc(F)cc4)c4cccs4)[nH]c3c2)CC1 587164305 PQHWIZZIJNGNAZ-HMMYKYKNSA-N 418.541 5.104 0 1 HKAF Clc1cc(I)cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1 587182274 GSRRCBXSSGEKJC-UHFFFAOYSA-N 424.456 5.190 0 1 HKAF Clc1ccc(COc2cccc(-c3cc4c5c(cccc5n3)CC4)c2)c(Cl)c1 587209637 VBYQDPALMLFOKS-UHFFFAOYSA-N 406.312 6.886 0 1 HKAF COC(=O)[C@@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)nc2cccc3c2c1CC3 587209809 YCSIALQAACKWLT-QHCPKHFHSA-N 413.904 5.959 0 1 HKAF CC(C)CCOc1cc2nc(-c3cc4cc(N)ccc4o3)[nH]c2cc1Br 587252192 SQLLRRLAWUYNLM-UHFFFAOYSA-N 414.303 5.746 0 1 HKAF C[C@@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328202 UBSZVRRNWBRAKN-UNMCSNQZSA-N 417.263 6.112 0 1 HKAF Cc1cccc2c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c[nH]c12 587343865 DTFNBAOUJLIYDL-RDGATRHJSA-N 401.437 5.595 0 1 HKAF C[C@]1(c2ccc3c(c2)CCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351797 HFPMALSJXNQVMR-AZGAKELHSA-N 402.465 5.684 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](CC(=O)N(C)C)CC3)c1 587361389 ZOVZBWIVHOPDBE-MRXNPFEDSA-N 400.478 5.165 0 1 HKAF CCOC(=O)Cc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C1CC1 587361834 CEJCYJBYYNXGPV-UHFFFAOYSA-N 401.462 5.640 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccccc2[C@H]3C(C)C)c1 587366795 MWFZYPDAHUNAMP-HSZRJFAPSA-N 405.497 7.425 0 1 HKAF COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1S 587373988 JTXHVNQMGROROI-FYYLOGMGSA-N 410.466 5.103 0 1 HKAF COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCc1cccc(Cl)c1 587375930 AXCYFSFULFTYGS-JOCHJYFZSA-N 423.896 5.525 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(-c3ccccc3)cc1)(c1cccnc1)O2 587395057 NUIWFUUPEGVXBL-HHHXNRCGSA-N 406.485 5.548 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCCC(=O)c1ccccc1)(c1ccccc1)O2 587404222 VGSZLEUYAAOFGJ-MHZLTWQESA-N 413.517 5.881 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc(Br)n4)cc1)[C@@H](C2)C3=O 587416495 AJQDCVZTQBGUGZ-KSFYIVLOSA-N 422.278 5.008 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Br)cc3cc[nH]c13)CC2=O 587458196 HLOAWMHFJGCHOG-OAQYLSRUSA-N 414.299 5.469 0 1 HKAF O=C1C[C@@](c2ccc(O)cc2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587499411 IVDAAILPWYGPPH-VWLOTQADSA-N 404.893 5.833 0 1 HKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(Cl)cccc12 587502349 VFENSZDDRVFCKY-SANMLTNESA-N 414.888 5.672 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(Cl)nccc2c1 587553720 VHCHIXVPIYEAMP-UGKGYDQZSA-N 403.821 5.297 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cccc1OC(F)F 587557510 SFNHGFMXHFPGOO-PXNSSMCTSA-N 418.779 5.350 0 1 HKAF C[C@]1(c2ccc(SC(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557525 SKDOKOKVXKZQFY-XMSQKQJNSA-N 414.429 5.584 0 1 HKAF COc1ccc(Cl)cc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C 587625862 NPAPJMPKHZZICA-UHFFFAOYSA-N 407.741 6.843 0 1 HKAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)c(-n3c(Cl)nc4ccccc43)c2c1 587649586 QKWVCYSEKSNALR-UHFFFAOYSA-N 421.909 5.231 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)cc2)N1 587678394 JUZSCMWHAQQPJN-DYZYQPBXSA-N 413.128 5.148 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CC=C(Br)CC2)N1 587681389 KSVDPVNPPBEEAD-HSOHIQCKSA-N 417.160 5.417 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Cl)c2)(C(F)(F)F)N1 587709013 HFODVDUSHXUWPY-FVMDXXJSSA-N 422.647 5.582 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)[nH]c2ccccc23)N1 587806815 VYBVSIQNVWMIIA-JCQPUDPBSA-N 423.329 6.020 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(c2ccccc2)c2ccccc2)N1 587813211 NFUDOBQSIPEPFT-VOIUYBSRSA-N 424.357 6.170 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2sccc2Br)N1 587842850 GQICAXTZQZQLKC-ANRSDYALSA-N 419.157 5.210 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(Cl)c(C(=O)O)c1 587863486 AOLXTTGJVDHBMK-UHFFFAOYSA-N 410.779 5.308 0 1 HKAF O=C(c1cccc(COc2ccccc2Cl)c1)n1nc2cc1Oc1ccc(F)cc1-2 587873679 GWGCHEQQTBUJHJ-UHFFFAOYSA-N 420.827 5.716 0 1 HKAF CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1ccc(O)c(-c2ccccc2)c1 587926073 KOGQTRCTYOAACP-UHFFFAOYSA-N 413.517 6.324 0 1 HKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)C1 587968446 DHPDNJCVUYZFNW-NXEZZACHSA-N 405.258 6.154 0 1 HKAF CCn1c(C[C@H](C)C(=O)Nc2cccc3ccccc23)nnc1C1Cc2ccccc2C1 653725031 PWSUZERNRREPSY-SFHVURJKSA-N 424.548 5.151 0 1 HKAF CC(C)=CCCC[C@@]1(C)C=Cc2cc(-c3coc4cc(O)cc(O)c4c3=O)ccc2O1 653801588 GHMQWBVIVXQWHJ-SANMLTNESA-N 418.489 6.172 0 1 HKAF Fc1ccc([C@]2(c3cccs3)NC3(CC3)Cc3ccc(Br)cc32)cc1 961614826 MCTJHDHWSQMIQO-NRFANRHFSA-N 414.343 5.620 0 1 HKAF COc1ccc2c(c1OC)[C@](C)(c1cc(Cl)cc(Br)c1)N(C)[C@H](C)C2 962561540 DARYFOQWFKZLKU-ODXCJYRJSA-N 424.766 5.260 0 1 HKAF CCOC(=O)CCCCCC[C@@]1(C2CC2)c2ccsc2CCN1Cc1ccco1 962712914 WLKHAMCXXHHDKR-XMMPIXPASA-N 415.599 5.908 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC)c1ccc(Cl)c(Br)c1 963243912 UFSKUFNCOZSGIR-VFNWGFHPSA-N 406.795 6.413 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCc1ccc(F)cc1)c1cccc(C)c1 963244934 YELOAYCTEYFINN-RBISFHTESA-N 401.569 6.667 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@]2(C)c1cnc(Nc2ccc(Cl)cn2)s1 963260595 ZFNBHBIYAWEOTH-LJQANCHMSA-N 421.353 5.006 0 1 HKAF Oc1ccc2c(c1)[C@H](c1csc(-c3ccc(OCc4ccccc4)cc3)n1)NCC2 963341096 KDCYPLRZSHEJLA-XMMPIXPASA-N 414.530 5.330 0 1 HKAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cccn1-c1ccc(Cl)cc1Cl 963603190 BHPDKRIKHLAGCJ-MCMMXHMISA-N 417.336 5.425 0 1 HKAF CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cc(F)cc(F)c2)CC1 1772586605 ZIPLARAAYQQKNP-UHFFFAOYSA-N 401.501 5.263 0 1 HKAF CCCC(=O)Oc1ccc(C[C@H](C)[C@H](C)Cc2ccc(O)c(OC)c2)cc1OC 1772653960 LVPQBUBSSWPJSE-SJORKVTESA-N 400.515 5.172 0 1 HKAF CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cn1c2ccccc2c2ccccc21 1857558799 HGHLANCPLBXYNS-UHFFFAOYSA-N 410.439 5.862 0 1 HKAF Cc1ccc(-c2nc3ccccc3c3c2c(-c2ccccc2)nn3-c2ccccc2)cc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c1cc(NCc2cccc(C(F)(F)F)c2)c2ncn(C(C)C)c2c1 61948949 ZHRJGWKCGPQDPJ-KRWDZBQOSA-N 421.463 5.398 0 3 HKAF CNCCCCCCCCSc1nc(C(C)C)ccc1C(=O)c1cccs1 3995974 XDTWTSUSEOWBTP-UHFFFAOYSA-N 404.645 6.150 0 1 HKAF CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCN(CC)CC 4213517 NTWQZQQTOMERJT-RPBOFIJWSA-N 423.601 5.312 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCCc1ccsc1 13517603 CHYTYNWDGNFICV-DOFZRALJSA-N 414.655 7.980 0 1 HKAF CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1O[C@H](C(=O)O)c1ccccc1 13539307 FWIFZCRXGVVJKY-SFHVURJKSA-N 421.415 5.956 0 1 HKAF CC(=O)[C@H]1CCCN(CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 13729517 MHFFBMJMWLECKT-IBGZPJMESA-N 406.353 5.400 0 1 HKAF COc1cc(O)cc2c1C(=O)O[C@@H]2CCCCCCCCC[C@@]1(O)CC[C@@H](C)O1 14714536 FEOQJESGRFUTMF-HFXUHXBXSA-N 406.519 5.011 0 1 HKAF biogenic c1ccc(CN[C@H]2C3[C@@H]4CCC[C@H]3CN(C4)[C@H]2C(c2ccccc2)c2ccccc2)cc1 22937474 FYFPUCQHJNRILA-SLRYHOQPSA-N 422.616 5.707 0 1 HKAF COC(=O)[C@H]1CC(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)=CC[C@H]1C(=O)OC 26574917 MRKGZZRVSSGZIK-SCDRESIJSA-N 422.650 6.724 0 1 HKAF CCN(CC)C(=O)Oc1ccc(C(CC)(CC)c2ccc(N(C)C(C)=O)cc2)cc1 28950147 LXDDSYMRUVKTOC-UHFFFAOYSA-N 410.558 5.616 0 1 HKAF COc1cc(N[C@H](C)CCCN)c2ncccc2c1Sc1ccccc1Cl 32287938 SBNUHOCBDQERSR-CQSZACIVSA-N 401.963 5.587 0 1 HKAF Clc1ccc(CC[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 33493900 RNLYYCOORPJAEP-AWEZNQCLSA-N 414.163 6.913 0 1 HKAF O=C(O)c1c(O)c(-c2ccc(Cl)cc2)nc2c(C(=O)Nc3ccccc3)cccc12 35086893 RGIAKUDAXPZKPN-UHFFFAOYSA-N 418.836 5.211 0 1 HKAF Cc1c(C(=O)Nc2ccc(Cl)cc2)nn(-c2ccc(F)cc2F)c1-n1cccc1 45301050 IICJGABWSSVDPO-UHFFFAOYSA-N 412.827 5.155 0 1 HKAF CC(C)c1ccc(C(=O)C[C@@H](C(=O)Nc2ccccc2)N2CCCCC2)c(C(C)C)c1 45392613 XSOPXIMOBJSKIN-VWLOTQADSA-N 420.597 5.999 0 1 HKAF O=S(=O)(Cc1ccccc1)N1CC=Cc2ccccc2[C@H]1c1c[nH]c2ccccc12 59242872 GKGZHBJKEIVYHI-VWLOTQADSA-N 414.530 5.116 0 1 HKAF CC(C)=CCN1C(=O)[C@@]2(CC(C)=C[C@H](COCc3ccccc3)O2)c2ccccc21 66156293 AZCIOMNUCSHJQR-ATIYNZHBSA-N 403.522 5.147 0 1 HKAF C[C@H](CNc1cc(Oc2ccc(C(=O)c3ccccc3)cc2)ncn1)c1ccccc1 82068393 FRLPXURTEWOTHY-LJQANCHMSA-N 409.489 5.716 0 1 HKAF O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(-c2ccccc2CCc2ccccc2)cc1 95596107 QIHOPWMFPQWRBK-MUUNZHRXSA-N 422.524 6.214 0 1 HKAF FC(F)(F)c1cc(CNCc2cnccc2-c2ccccc2)cc(C(F)(F)F)c1 96285087 RDZWUOGMLNAQDK-UHFFFAOYSA-N 410.361 6.076 0 1 HKAF CCOC(=O)NCCCCN1c2ccc(C)cc2Sc2cc3ccccc3nc21 96905898 REGLWWHVALQKRF-UHFFFAOYSA-N 407.539 5.672 0 1 HKAF CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SC)nc(O)c32)cc1 100704520 XQGXCNUDGJYUFC-INIZCTEOSA-N 411.527 5.153 0 1 HKAF NC1(c2ccc(-c3nc4cc(-n5cccn5)ccn4c3-c3ccccc3)cc2)CCC1 113654898 RBZYXASPIFZSKF-UHFFFAOYSA-N 405.505 5.192 0 1 HKAF Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(C(=O)NC(C)C)cc3)cc12 114714315 XDPPEKWQWFCUIL-UHFFFAOYSA-N 424.570 5.302 0 1 HKAF C/C=C(\C)[C@H](O)[C@H](C)/C=C(C)/C=C/C[C@@H](C)/C=C/c1oc(OC)c(CC)c(=O)c1C 169323515 RZWLIPXWCCRKLN-ZTVLDCRVSA-N 414.586 6.024 0 1 HKAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)OC3[C@@H](C)CCC[C@H]3C)CN(C)[C@@H]1C2 169325342 WRVDEIUJUYJDJD-CIFDCYEOSA-N 422.613 5.550 0 1 HKAF CCCCN(CCCC)C[C@H](O)c1ccc(Cl)c2nc(-c3ccccc3)ccc12 169337316 NZVCZLGIJCJYSU-DEOSSOPVSA-N 410.989 6.491 0 1 HKAF Cn1cc(-c2cnc3ccc(N(CC4CC4)c4cccc(OC(F)F)c4)cc3n2)cn1 204167331 RVXVVMLZMQHZHP-UHFFFAOYSA-N 421.451 5.180 0 1 HKAF C/C=C(/C)C(=O)OCC1=CCC[C@@H]2[C@@]1(C(=O)O)CC[C@@H](C)[C@@]2(C)CCc1ccoc1 238774166 CZUZNUPRGZSCJO-WUSIZCOLSA-N 414.542 5.565 0 1 HKAF CN[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 299848410 ORPDGDBKUOHGBE-RVWWLPKISA-N 401.723 7.696 0 1 HKAF C[C@H](SCc1ccccc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586963449 NYYJGWMAEUOVBW-JTQLQIEISA-N 415.278 6.339 0 1 HKAF FC(F)(F)c1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 586978033 XMFKPUAUTGAYGX-UHFFFAOYSA-N 405.601 5.577 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(Br)ccc3F)nc3ccc(O)c1c23 586987492 XEVDFGDUAAROLA-UHFFFAOYSA-N 420.237 5.720 0 1 HKAF O=C1c2ccccc2-c2cc(CC(=O)C34CC5CC(CC(C5)C3)C4)nc3ccc(O)c1c23 586992461 WONNUEPOCBAJTK-UHFFFAOYSA-N 423.512 5.480 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(Br)ccc4O)nc13)-c1ccccc1C2=O 586993473 MQYBZAIJFNKMGX-UHFFFAOYSA-N 416.274 5.890 0 1 HKAF CC(=O)Nc1cccc(C(=O)Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 586995513 HUFKIROQRUVPON-UHFFFAOYSA-N 420.468 5.138 0 1 HKAF Clc1cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cn1 586998711 OAPKFPNZASHRSQ-VURMDHGXSA-N 400.663 5.804 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587014911 UCDWKSVEBLPHHQ-UHFFFAOYSA-N 409.877 5.640 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(-c4ccccc4Cl)o3)nc3cccc1c23 587104375 SAHRFMGHSMSSRQ-UHFFFAOYSA-N 407.856 7.027 0 1 HKAF Ic1cccc(/C=C\c2nc3ccc4c(c3[nH]2)CCCC4)c1 587183979 MUMFWUGPTGJCTF-FLIBITNWSA-N 400.263 5.217 0 1 HKAF CCCCOc1cc2nc([C@H](C)c3ccc(N(C)C)cc3)[nH]c2cc1Br 587197052 HKIQDBIOONAPQY-CQSZACIVSA-N 416.363 5.722 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(CCc1c(C)nc4ccccc4c1Cl)[C@@H](C2)C3=O 587420563 IRBCFVKWJTUUHJ-MHECFPHRSA-N 407.897 5.344 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1cccnc1)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O 587421748 WZTGRLNFDZBDNH-JTSKRJEESA-N 412.272 5.088 0 1 HKAF C[C@]1(c2sccc2-c2cccc(C=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587532740 SHXLCFDOTZCCGN-RUZDIDTESA-N 402.515 5.987 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1 587612756 NBHXXHPFMYCSLL-DHLKQENFSA-N 414.482 6.132 0 1 HKAF Cc1cc(Cl)cc2c([C@@H](C(=O)O)c3ccc(Cl)cc3)c(-c3ccccc3)[nH]c12 587624847 UZTWAXPVYGITNY-IBGZPJMESA-N 410.300 6.667 0 1 HKAF COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1cc(Cl)ccc1Cl 587628386 NNWOURVWIQBMIS-UHFFFAOYSA-N 400.620 5.285 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(c3ccc(Cl)cc3)CC2)N1 587694354 GPDGLIXQWDGCQO-TZHTUTLZSA-N 422.769 6.329 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(C(C)(C)C)N1 587698037 HIOXNDPAPUBPIO-ODXCJYRJSA-N 410.758 6.066 0 1 HKAF Cc1cc(C(F)(F)F)ncc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587710412 CNSUIZPFQUYWII-BTDLBPIBSA-N 417.244 5.108 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2CCCCF)N1 587722769 ZRLMPEIAIYZECR-LHSJRXKWSA-N 408.330 5.678 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Cl)c2F)(C2CC2)N1 587725048 BLRYSMFNYKENEX-APBUJDDRSA-N 412.705 5.569 0 1 HKAF CC[C@@]1(c2cccc(Cl)c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587726215 WDNZKHYUNOQQFJ-YPMLDQLKSA-N 400.694 5.569 0 1 HKAF COc1ccc2cc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 587809055 PNSMFVZWOKEPCG-XMHCIUCPSA-N 414.318 5.548 0 1 HKAF CC(C)c1ccc(C[C@@H](C)[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587818282 HMGLZRCXFGVEAI-DOQJBMMISA-N 404.367 6.166 0 1 HKAF Cc1cc(C)c2c(c1)CC(C)(C)C[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587824629 XXPLVBIRIBPYDA-CMJOXMDJSA-N 416.378 5.955 0 1 HKAF Cc1ccc(-c2cc(C(F)(F)F)nc(-n3nc4cc3Oc3ccc(F)cc3-4)n2)s1 587874283 SUNURTUVLKPGON-UHFFFAOYSA-N 418.375 5.630 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc(Br)c(C)cc4[nH]3)cc2)cc1OC 587925774 DBBNMOBHWTZYRH-UHFFFAOYSA-N 423.310 5.985 0 1 HKAF Cc1cc(OCCn2c(O)cc(-c3cccc(Cl)c3)c2O)c(C(C)C)cc1Cl 587941605 QGXURNCXWICZRI-UHFFFAOYSA-N 420.336 6.384 0 1 HKAF COC(=O)c1ccc(-c2cc3c(N[C@H](C)c4ccccc4)ncnc3s2)c(OC)c1 653697840 TVCOOUOSYRSXSU-CQSZACIVSA-N 419.506 5.327 0 1 HKAF COc1ccc2c(c1)[C@](c1cccc(Br)c1)(C(C)(C)C)N(C(C)C)CC2 962095787 WSLIEGQBNRZIMY-HSZRJFAPSA-N 416.403 6.014 0 1 HKAF CC(C)c1cccc(NC(=O)c2cccc(N3CCc4c(cnc5ccccc45)C3)c2)c1 1772579782 IZGSXTPUBXKDBJ-UHFFFAOYSA-N 421.544 6.173 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 1857626831 UYOSSIFSBNNKRC-WAVQRVPVSA-N 420.678 5.410 0 1 HKAF CC(C)=CCC[C@@](C)(O)C=CCC(C)=CCC[C@]1(C)C=Cc2cc(O)cc(C)c2O1 2356450070 HNPKTDKTYUBNFK-KAYWLYCHSA-N 410.598 7.035 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)C5=CC[C@@]43C)[C@@H]2C1 2356471978 HANKWAXOCUEZTC-KXSALUJGSA-N 422.697 8.297 0 1 HKAF CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)OC(CO)CO 2356607540 LRBJILYYDLUADN-UHFFFAOYSA-N 404.591 5.585 0 1 HKAF CO[C@@H]1C(O)=Cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2[C@@H]1CC=C(C)C 2356751514 NMUIQJQZSIHEJJ-OWJWWREXSA-N 412.482 5.080 0 1 HKAF CC(C)=CCCCC(C)=Cc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O 2356781801 BYNSAEDEZFVSHZ-HSZRJFAPSA-N 408.494 6.050 0 1 HKAF COc1ccccc1NC(=O)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1[C@H]2Cc1ccccc1 263590727 LQWFHRFFSCPQTM-MAAHOPOVSA-N 420.553 5.118 0 3 HKAF CC(=O)c1ccc2oc([C@@]3(C)CC[C@](C)(O)c4oc5ccc(C(C)=O)cc5c43)cc2c1 13305075 MLBPWTDFMXETIN-FTJBHMTQSA-N 416.473 5.892 0 1 HKAF biogenic Cc1ccc(NC(=O)N[C@H]2CCC[C@@H](NC(=O)Nc3ccc(C)cc3C)C2)c(C)c1 13493808 MHRXAZDZTYHCPR-BGYRXZFFSA-N 408.546 5.175 0 1 HKAF CC(C)Cc1ccc([C@@H](C)C(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1 13862175 ZFPBOJZPCMKUOR-MRXNPFEDSA-N 414.501 5.345 0 1 HKAF COc1cc(O)c2c(=O)c(-c3ccc(O)c(CC=C(C)C)c3)coc2c1CC=C(C)C 14780943 XOEJOZMFBLQRCB-UHFFFAOYSA-N 420.505 5.897 0 1 HKAF biogenic C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 26575997 XFZOIAVBOHOIMH-PDBXOOCHSA-N 413.602 6.607 0 1 HKAF CC[C@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4ccc(F)cc4)oc3C)ccc21 28565547 HOLWSQOWERGNCR-RBBKRZOGSA-N 423.484 5.551 0 1 HKAF Cc1cc(-c2ccccc2)nc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)n1 28647328 DJWLQTYNNCVURN-LJQANCHMSA-N 416.333 5.537 0 1 HKAF O=C(Nc1nnc(Sc2nc3cc(Cl)ccc3s2)s1)c1cccs1 29463683 OKPXOGIOCGEOKP-UHFFFAOYSA-N 410.958 5.266 0 1 HKAF aggregator CC(C)CCC[C@@](C)(O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33914450 PRZXKPDANWDCNC-IBQHSZKZSA-N 418.662 5.619 0 1 HKAF endogenous,in-man CC1(C)C[C@@H](NC(=O)Nc2ccc(Cl)cc2)c2cc(Br)ccc2O1 40812309 CLJQJCFKFTWBEI-OAHLLOKOSA-N 409.711 5.526 0 1 HKAF O=C(O)CCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 82156121 FQYFGWGKFYQDOL-UHFFFAOYSA-N 418.493 5.595 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCc3ccccc3)ncnc21 82178292 WPKCRGPUHTZOHD-MRXNPFEDSA-N 405.933 5.805 0 1 HKAF Nc1scc(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccc(Cl)c(Cl)c1 84742517 OXHQSXIOVXUUJX-UHFFFAOYSA-N 416.251 6.554 0 1 HKAF Cc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1NC(=O)c1ccccc1 95563343 OAFJTMWUMRTUNL-UHFFFAOYSA-N 414.292 6.198 0 1 HKAF O=P(O)(O)Cc1ccc(-c2cccc([C@@H](O)c3ccc(Cl)c(Cl)c3)c2)cc1 96284981 WQEIWNQAIOLRTH-HXUWFJFHSA-N 423.232 5.420 0 1 HKAF CC[C@H](C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc(C)o1 100703548 COEQXPGBKDYXTQ-YVEFUNNKSA-N 413.543 5.824 0 1 HKAF CCCCCOc1cc(O)c2c(c1CC=C(C)C)O[C@H](c1ccc(O)cc1)CC2=O 103203960 UIDLZBRSXGBSMF-QFIPXVFZSA-N 410.510 5.882 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2ccc(O)cc2)C[C@H](c2ccccc2Cl)C1 103921250 DRTBHCPUZFTMKQ-LMKMVOKYSA-N 416.908 6.675 0 1 HKAF CSc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2C)cc1 104699237 IBNCTRWQOOURRR-HSZRJFAPSA-N 418.562 6.164 0 1 HKAF CC[C@H](Nc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccccc1 140537305 YYNDKEHTFLPXSQ-HNNXBMFYSA-N 413.323 5.146 0 1 HKAF O=C(O)c1ccc(-c2cc(Cl)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cc1 144759906 XEKBFSIKNXDYMF-HXUWFJFHSA-N 404.771 5.484 0 1 HKAF C[C@@H](NCCc1ccccc1)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253633372 LFPKSAIPLRXRML-RXOZWRLSSA-N 421.669 6.147 0 1 HKAF C[C@@H](NC(=O)c1ccccc1)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253852870 NOVUBZJSKIJHDS-LHRFBDFWSA-N 421.625 5.745 0 1 HKAF Cc1ccc(F)c([C@@H]2[C@@H]3C=CC[C@@H](c4ccccc4)[C@H]3C(=O)N2Cc2ccccc2)c1 253977419 JKQUHEGFTUFCCP-VBWPBTNGSA-N 411.520 6.194 0 1 HKAF C/C=C(\CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C=C[C@@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 255211673 GBBBJSKVBYJMBG-PGYXXVIQSA-N 412.702 7.801 0 1 HKAF FC(F)(F)c1ccc(Oc2ccc(-c3noc(-c4n[nH]cc4Cl)n3)cc2)cc1 299867008 PQVNPLRFKGGAFG-UHFFFAOYSA-N 406.751 5.591 0 1 HKAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(C)cc(F)c3[nH]2)c1 587049565 RAXPYYMRBIZXCJ-BQYQJAHWSA-N 414.868 5.054 0 1 HKAF CSc1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1 587055305 GAPUVLCQINISNU-UHFFFAOYSA-N 405.306 6.431 0 1 HKAF COc1cc(Cl)ccc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587066902 VDDJBMRCBPGFFG-UHFFFAOYSA-N 423.738 6.079 0 1 HKAF Cc1cc(Br)c2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc2c1 587132169 LRPXMTGRQJVRBT-NSCUHMNNSA-N 403.148 5.500 0 1 HKAF O=C1c2ccccc2-c2c(CCc3ccccc3)c(-c3ccccc3)nc3cccc1c23 587206367 LQSONCGBHMWGKR-UHFFFAOYSA-N 411.504 6.898 0 1 HKAF O=C(c1ccccc1)c1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c1 587232190 NEXGTRPNJIGDCX-UHFFFAOYSA-N 407.473 5.344 0 1 HKAF COC(=O)c1cc2nc(-c3cc4cc(N)ccc4o3)[nH]c2c(F)c1Nc1ccccc1 587251300 BPPINQZMMXXXBR-UHFFFAOYSA-N 416.412 5.228 0 1 HKAF CC(C)Oc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587353391 YVPQEDHRHMYRPO-NOZRDPDXSA-N 406.453 5.593 0 1 HKAF CCCC[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356745 RDOAMQVISIHMHF-ILBGXUMGSA-N 406.453 5.682 0 1 HKAF COc1cccc(-c2cc(-c3csc(C(C)C)n3)nc3c2oc2ccccc23)c1 587366118 KAGOHIFGQDANDN-UHFFFAOYSA-N 400.503 6.904 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@H]3c2ccccc2)c1 587367846 XXPITMNXTJCRRK-QFIPXVFZSA-N 419.480 6.304 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cn1ccnc1C(C)C)(c1ccc(C)c(C)c1)O2 587392351 YYJAKCCEIRAHKN-RUZDIDTESA-N 403.526 5.075 0 1 HKAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4Sc4c(C(C)C)cccc41)[C@@H](C2)C3=O 587451855 LAPGCMHXPRLRJU-RXFWQSSRSA-N 414.526 5.974 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-c3ccc(C(=O)O)cc3)c1)CC2=O 587489728 ORISHEBLFMBWIO-AREMUKBSSA-N 416.473 5.591 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)[nH]c(-c3ccco3)nc1=S)CC2=O 587493630 TYBVDYVFGDELJQ-JOCHJYFZSA-N 410.495 5.246 0 1 HKAF O=C1C[C@@]2(CCc3c(F)ccc(Br)c32)Oc2c1ccc1c2CCCC1 587504182 GJLJXXKEKRZZNW-OAQYLSRUSA-N 401.275 5.274 0 1 HKAF O=C1C[C@@](c2cccnc2)(c2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587511018 ZQPTXDPUWDUVOS-DEOSSOPVSA-N 423.434 5.888 0 1 HKAF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cccc1C(F)(F)F 587550310 UMVVQIUJEOUGAF-RXVVDRJESA-N 400.352 5.422 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2cccc(F)c2)n1 587572995 UIPBAZCVXLZNCX-DENIHFKCSA-N 419.433 5.358 0 1 HKAF Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccc(F)cc2)cc1 587623030 WZVYRFVEHZGKJR-UHFFFAOYSA-N 420.285 6.588 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)cc2)N1 587676171 CRWLHYHJZVEGRR-BTDLBPIBSA-N 413.128 5.148 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)c(Cl)c2)N1 587697852 UPNPHBIRDBDHLB-XYZCENFISA-N 403.122 5.693 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccc(C(F)(F)F)cc2)N1 587709710 AQBCRZAWMMUJOP-BDJLRTHQSA-N 416.256 5.815 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3)cc2F)N1 587724281 GQBDZQQZPYKCHF-MCMMXHMISA-N 414.293 6.018 0 1 HKAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(Br)c(F)cc2[nH]1 587782999 VGPAXFUCMPPFLH-UHFFFAOYSA-N 413.246 5.416 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(c2ccccc2)N1 587811041 FRXJAZLVWAKLPS-OSPHWJPCSA-N 424.357 5.999 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccccc3)cc2)N1 587813471 DBWPMQVVAVDYCB-IQMFZBJNSA-N 410.330 6.053 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(c2ccccc2)N1 587815291 ZTQKQGXXJRTMHN-XDHUDOTRSA-N 424.357 5.999 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(C)(c3ccccc3)CC2)N1 587818639 RPYOMTMUTUPIJL-NYMDZQDESA-N 402.351 5.850 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(O)cc2)N1 587834431 RXHHSZDVSCBKDM-FPTDNZKUSA-N 412.302 5.120 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)s1 587846114 GPVHNAIJVXAWTR-GIGQVBGESA-N 422.388 6.310 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 587950188 QFFARUCPUMAHFW-VLGSPTGOSA-N 416.480 6.757 0 1 HKAF Cc1ccc(-c2ccc(C(=O)Nc3ccc(Oc4cc[nH]c5nccc4-5)cc3)nc2)cc1 653764475 VILYTEIRCOIDNI-UHFFFAOYSA-N 420.472 5.930 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2C12CCN(Cc1ccccc1C(F)(F)F)CC2 963237599 YKINMZYEJQKZIN-IBGZPJMESA-N 416.531 5.853 0 1 HKAF Cc1ccccc1NC(=O)[C@H](NC(=O)Nc1cccc2ccccc12)c1ccccc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c2cc(O)cc(C)c2O1 2356621840 RYPIDQSBZKCZIV-ZBLYBZFDSA-N 412.614 7.243 0 1 HKAF O[C@H]1C=CC[C@](O)(CCCCCCCCCCCC=CCCCc2ccccc2)C1 2356695004 PWMTUNFJUOXOCX-WUFINQPMSA-N 412.658 7.299 0 1 HKAF CO[C@H](C=C(C)C)C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356809206 AOLZZVBUHJCETR-MBOCNQOASA-N 414.674 6.934 0 1 HKAF CC(=CCn1c[n+](C)c2nncc(N)c21)CC[C@]1(C)C2=CCCC(C)(C)[C@H]2CC[C@@H]1C 2356856850 SEAURGZSHCIKNY-DYLHXGEVSA-N 422.641 5.363 0 1 HKAF O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 3919908 CMKZLXVPTDYVOB-HSZRJFAPSA-N 424.466 5.377 0 1 HKAF CCc1nc2c(-c3ccc(C(F)(F)F)cc3Cl)nccc2n1[C@@H](CC)C1CC1 13479635 JYDUPUKAOKKYHE-INIZCTEOSA-N 407.867 6.694 0 1 HKAF O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(-c2ccccc2)nc1 13814664 PGSQZRASNXPXIK-UHFFFAOYSA-N 411.305 5.434 0 1 HKAF COc1c(C(=O)C(C)C)c2c(c3oc(=O)cc(-c4ccccc4)c13)C=CC(C)(C)O2 14589303 YZTNMIZRHXSBOA-UHFFFAOYSA-N 404.462 5.492 0 1 HKAF biogenic,in-vitro COc1ccc2c(c1CC=C(C)C)O[C@@H]1c3ccc(O)c(CC=C(C)C)c3OC[C@@]21O 14781027 XOWMUIMFYAHWQD-CLJLJLNGSA-N 422.521 5.132 0 1 HKAF biogenic Clc1ccccc1Cn1nnc2c(NC3CCCCC3)nc(-c3ccccc3)nc21 28642963 ZLFRMZJFWSNBCP-UHFFFAOYSA-N 418.932 5.335 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@@H](C)CC(=O)[C@](C)(CCC(=O)O)[C@@H]3CC[C@]12C 29236372 GOSURFASCRNOMA-RCNVFFHFSA-N 418.662 6.988 0 1 HKAF CC(C)c1ccc(CNCCCCNCCCNCc2ccc(C(C)C)cc2)cc1 34894257 YXJIADCYWHNXLT-UHFFFAOYSA-N 409.662 5.573 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@]3(C)[C@@H]2C1)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1CC4 37242715 SETGEOOJKVZYTE-CKARLABJSA-N 424.713 8.521 0 1 HKAF biogenic O=C1Nc2ccccc2[C@H]1CCCCN1CC=C(c2cccc(C(F)(F)F)c2)CC1 38239418 GIIZJZBEFPZVKI-OAQYLSRUSA-N 414.471 5.701 0 1 HKAF CC1(C)Oc2cc(Cl)c(Cl)cc2[C@@H](Nc2noc3ccc(Cl)cc23)[C@@H]1O 40403399 PTGNZWJRQOTYKB-CVEARBPZSA-N 413.688 5.473 0 1 HKAF O=S(=O)(c1ccc(Cl)cc1)N1N=C2CCCC[C@H]2[C@@H]1c1ccc(Cl)cc1 43019573 IWHYUTAJNUKGJM-MJGOQNOKSA-N 409.338 5.285 0 1 HKAF CCn1cc/c(=N\c2cccc(CCc3ccc(OC(F)(F)F)cc3)c2)c(Cl)c1 43118574 GIDALNPKGDVPMV-SZXQPVLSSA-N 420.862 6.078 0 1 HKAF Clc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)c(Cl)c2)cc1 45203060 KORSFXDVSOTENF-UHFFFAOYSA-N 407.648 5.460 0 1 HKAF C[C@H](/C=C/c1ccncc1)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 45350530 MCZHHBKTPUPXLV-BLVSOSLFSA-N 405.626 6.671 0 1 HKAF Cc1cc(C)nc(Oc2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2)n1 66075947 FSNMKPRJACGZNG-UHFFFAOYSA-N 403.269 5.837 0 1 HKAF CC[C@@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCCc3ccccc3F)ncnc21 82180643 ORXNGMYMWRQUCF-MRXNPFEDSA-N 419.504 5.039 0 1 HKAF O=c1ncn2nc(Sc3ccccc3)ccc2c1-c1c(F)cccc1C(F)(F)F 84615697 XMBLHMXQDVBZKM-UHFFFAOYSA-N 417.387 5.066 0 1 HKAF O=C(c1ncncc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccccc21 95575850 RABLXUVJKZEGPQ-UHFFFAOYSA-N 400.265 5.169 0 1 HKAF Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1Cl 95595758 LZULYXPBANLUMH-UHFFFAOYSA-N 400.935 5.238 0 1 HKAF Cc1ccccc1SC1=C(O)C[C@@](CCc2ccccc2)(c2ccccc2)OC1=O 100364153 DWDURBDNEXUAJU-SANMLTNESA-N 416.542 6.332 0 1 HKAF C=C(Nc1ccc(C(C)(C)C)cc1)N1[C@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 101498405 KJMLHNUYGCMMLF-RIKCKFAHSA-N 424.610 5.337 0 1 HKAF CCCCCCn1nnc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 103208842 JFBSWWDYEBNDDI-UHFFFAOYSA-N 408.760 7.153 0 1 HKAF COc1cccc(N2[C@@H](c3ccccc3)[C@]23C(c2ccccc2)=Nc2ccccc23)c1 103274802 CUUBHGGFAQBGRZ-SRBHEWTHSA-N 402.497 6.286 0 1 HKAF FC(F)(F)c1ccnc(Nc2ccc(Oc3ncccc3-c3ccncc3)cc2)c1 139351163 RCPSOGCIFCTQKG-UHFFFAOYSA-N 408.383 6.093 0 1 HKAF CCCCCCC(C)(C)/C=C\C/C=C/C/C=C\C/C=C\CCCCOC(CO)CO 169353249 KLWBHADJSFOWAR-XBTKRCMFSA-N 420.678 6.918 0 1 HKAF C[C@@H]1C[C@H]1c1cc(NC(=O)Nc2cccc(Br)c2)n(-c2ccccc2)n1 204748782 ODWYWUPYYUEYGH-CXAGYDPISA-N 411.303 5.402 0 1 HKAF Cc1cc(-c2nc(-c3ccc(OC4CC4)c(Cl)c3)n3c2CCO[C@H](C)C3)cc(C)n1 220970353 SASQXVYCNSWHEU-MRXNPFEDSA-N 423.944 5.385 0 1 HKAF Brc1cc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586885019 SUJLSVKBQJZSAM-YBIKONCISA-N 410.153 5.556 0 1 HKAF Cc1ccc(-n2ccnc2SCc2nc3ccc(OC(F)(F)F)cc3[nH]2)c(C)c1 586967179 YXBFQLPEJUYMNH-UHFFFAOYSA-N 418.444 5.556 0 1 HKAF CCOc1cc(/C=C/c2nc3cc4ccccc4cc3[nH]2)cc(Br)c1OC 586976547 ATUHQPPAYAEZHM-CMDGGOBGSA-N 423.310 6.056 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(-c4ccccc4Cl)o3)nc3ccc(O)c1c23 586984763 BAKSPOWZWUJYKR-UHFFFAOYSA-N 423.855 6.732 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 587005153 PRMUVVSDXFDAPU-UHFFFAOYSA-N 412.674 5.272 0 1 HKAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)s1 587023715 VASQYJYWYQGUJP-UHFFFAOYSA-N 416.450 5.645 0 1 HKAF Clc1ccccc1-c1nc(-c2nc3cc(Br)cc(Cl)c3[nH]2)co1 587063664 YHTDRDCWONLPGU-UHFFFAOYSA-N 409.070 5.954 0 1 HKAF O=C(Cc1ccc(Cl)cc1)c1nc2cc(Br)c(C(F)(F)F)cc2[nH]1 587072634 STCSDGGCYSFNAF-UHFFFAOYSA-N 417.612 5.423 0 1 HKAF FC(F)(F)[C@](F)(Cl)c1nc2c(Br)ccc(Br)c2[nH]1 587089426 CVZDISYMVPBUHY-QMMMGPOBSA-N 410.390 5.011 0 1 HKAF CCCc1c(C(=O)O)[nH]c(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096081 FWJLFMYVWCWSOH-UHFFFAOYSA-N 410.473 5.709 0 1 HKAF CCCOc1cc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2cc1Br 587115034 FBQSMRDYTFSGIS-UHFFFAOYSA-N 400.198 5.195 0 1 HKAF Cc1c(Br)cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1C 587120172 AXOZBTCLEFVGKS-UHFFFAOYSA-N 409.209 5.504 0 1 HKAF CCOc1cc(/C=C\c2nc3c(F)c(F)c(F)c(F)c3[nH]2)ccc1OC(F)F 587131038 UCQIYTIMMWYWMU-XQRVVYSFSA-N 402.294 5.290 0 1 HKAF Fc1cc(F)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1Br 587138109 WKWGWDATJKLFBZ-UHFFFAOYSA-N 422.454 5.687 0 1 HKAF CCCCOc1cc2nc(/C=C/c3ccc(C)c(F)c3)[nH]c2cc1Br 587146203 DCWDTXZEGQPKRF-BQYQJAHWSA-N 403.295 6.122 0 1 HKAF Cc1c(Br)cc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2c1C 587164514 STHNGIXBXPSJGM-UHFFFAOYSA-N 401.304 6.477 0 1 HKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(Br)ncc3[nH]2)c1 587239456 YNXQQCLIOLPCKV-UHFFFAOYSA-N 408.303 5.330 0 1 HKAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(Br)c(F)c3[nH]2)c1 587242542 VAWDWBHLBVIONV-UHFFFAOYSA-N 422.254 5.184 0 1 HKAF C[C@]1(c2c[nH]c3nccc(Cl)c23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329420 MDKFMCGNBWEDSP-NFBKMPQASA-N 422.843 5.335 0 1 HKAF C[C@@]1(c2cccc(C3CCC3)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337263 VAPODGXJDCPZCD-OZXSUGGESA-N 420.455 6.212 0 1 HKAF COc1cccc(-c2cc(COC(=O)c3ccccc3N)nc3c2oc2ccccc23)c1 587363076 NQFMZHRXJOHQOL-UHFFFAOYSA-N 424.456 5.596 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1ccc(Cl)cc1)(c1ccccc1)CC2=O 587460054 FIHRTXKATCUVKV-VWLOTQADSA-N 406.909 6.102 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C=C(OC)c2sccc21 587494648 LICGOLJOHBQHJA-RUZDIDTESA-N 418.514 5.773 0 1 HKAF O=C1C[C@@]2(CCCOc3c2ccc(Cl)c3Cl)Oc2c1ccc1c2CCCC1 587499636 MBIUAOZQLPXIJR-JOCHJYFZSA-N 403.305 5.906 0 1 HKAF C[C@@H](Oc1cccc(C(F)(F)F)c1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587504562 FEZXJPWOHGOJRW-PEBXRYMYSA-N 404.428 5.776 0 1 HKAF O=C1C[C@H](c2cc(Cl)cc(Br)c2F)Oc2c1ccc1c2CCCC1 587505194 LRRSTVXCDDMNAV-QGZVFWFLSA-N 409.682 5.827 0 1 HKAF O=C1C[C@@H](c2cccn2-c2cccc(Cl)c2Cl)Oc2c1ccc1c2CCCC1 587505790 LMTRZCOINUUFPY-NRFANRHFSA-N 412.316 6.369 0 1 HKAF C[C@]1(c2cc(F)c(F)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555378 GHXMPRJEVMIJTC-WIYYLYMNSA-N 402.780 5.201 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CC=C(c1ccc(F)cc1)CC2 587572078 RGIHINLNPVBNAO-RCZVLFRGSA-N 402.421 5.499 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1cc2ccccc2o1 587594434 LIRQKUKCIYQMQC-OFVILXPXSA-N 424.412 5.231 0 1 HKAF CCOC(=O)C(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c(C)cc(Cl)cc12 587624950 WWJWEYKSVFHOHV-UHFFFAOYSA-N 409.791 5.561 0 1 HKAF O=C(c1cccc(C(F)(F)F)c1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587637050 BGKALSQNFQPYRN-UHFFFAOYSA-N 401.262 5.135 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)N(C(=O)CC(C)=O)c3ccccc3C)c2c1 587640895 CMCFWFWTTNEQPM-HNNXBMFYSA-N 404.510 5.451 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cc(Cl)ccc3Cl)c2c1 587641136 KMQNPOAQWKBWKO-JTQLQIEISA-N 414.254 7.238 0 1 HKAF CCCC[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587696829 FYWGARAXBMBLBB-ZUOKHONESA-N 410.758 6.210 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)cc(Cl)cc2F)N1 587717877 GTTTUPQQAMLNPV-RBHXEPJQSA-N 404.657 5.318 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1OC(F)F 587719851 RKIGHOGSEKYBLU-DIFFPNOSSA-N 414.265 5.430 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(C2CCCC2)N1 587732231 INSGIZQHOLBONX-YEJXKQKISA-N 406.314 5.695 0 1 HKAF CCCCCOc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587790795 GOMAABAQCXDXIW-LHSJRXKWSA-N 406.339 5.781 0 1 HKAF CCOc1ccc2[nH]cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587807403 WZUCJXPBRNTUFA-YBTHPKLGSA-N 403.295 5.092 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nc(-c3ccccc3)cs2)N1 587851517 CFYRRTYRUYXFMJ-ODXCJYRJSA-N 417.347 5.509 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CC12CC3CC(CC(C3)C1)C2 587862557 ROCYPZLSZYCODV-UHFFFAOYSA-N 418.459 5.824 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)N[C@H]1CCCC[C@@H]1C 587866669 IRLTWXHXQAGYKM-BBRMVZONSA-N 411.493 5.269 0 1 HKAF Cc1cc(O)nc(SC[C@@]2(C(C)(C)C)NCCc3cccc(-c4ccccc4)c32)n1 962661629 CZYGNJWQDADLLT-RUZDIDTESA-N 419.594 5.337 0 1 HKAF Clc1ccccc1C[C@]1([C@@H]2CCCS2)NCCc2cc(-c3ccccc3)ccc21 962669055 RPDHYLJCVFRDMD-UIOOFZCWSA-N 420.021 6.486 0 1 HKAF C[C@@H](NCCc1ccccc1)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857533658 LFPKSAIPLRXRML-LQOXIJNNSA-N 421.669 6.147 0 1 HKAF CC(C)c1ccc([C@H]2[C@@H]3CCCC3=NN2S(=O)(=O)c2ccc(Cl)cc2)cc1 1857547433 AZIGSXQBNFGDHO-CTNGQTDRSA-N 402.947 5.365 0 1 HKAF Cc1cc([C@@H]2Nc3ccccc3C(=O)N2C)cc2cc(-c3cccs3)c(=O)oc12 1857747095 RPVJSBOBODJWGA-OAQYLSRUSA-N 402.475 5.026 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@H](CO)CC[C@]4(C)[C@@H]3CC[C@@]12C 2356542462 RKYSZGJUFBBPTD-IQVTZKMKSA-N 400.691 7.348 0 1 HKAF COC(=O)C[C@H](OC)[C@]1(CC=C(C)CCC=C(C)CCC=C(C)C)CC(=O)C[C@H]1O 2356673856 OSIGYNJOJJUONY-GIFXNVAJSA-N 420.590 5.084 0 1 HKAF CCCCC[C@@H](O)C=CC=CCC1(CC[C@H](CCC(=O)O)CCC(C)C)CCCC1 2356727484 PFPYIBQENNEECG-LOSJGSFVSA-N 420.678 7.688 0 1 HKAF Cc1ccc2nc(-c3cccc(-c4cccc(Cl)c4)c3)c(NCc3ccccc3)n2c1 36382349 VEOMJJVLGQWGCK-UHFFFAOYSA-N 423.947 7.242 0 3 HKAF C[C@@]1(C(=O)Nc2cccc(Oc3ccccc3)c2)Cc2c(-c3ccccc3)ccnc2O1 61906939 AINILNCBBINRGE-MHZLTWQESA-N 422.484 5.873 0 3 HKAF Cc1cc(N(CC(C)C)CC2CC2)c2c(n1)c(-c1ccc(Cl)cc1Cl)nn2C 13553418 RKANBTSWDZXKSN-UHFFFAOYSA-N 417.384 6.123 0 1 HKAF Nc1ccccc1NC(=O)CCCCCCC(=O)c1cccc(-c2ccccc2)c1 13588613 NHHIAZBCVUTFQI-UHFFFAOYSA-N 400.522 6.098 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2c(C=O)c(O)cc(C)c2O1 14767734 VVUPQSRSJMZZQI-AFWXWVIGSA-N 424.625 7.796 0 1 HKAF biogenic,in-vitro COc1cc(OC)c2c(c1CC=C(C)C)C[C@H]1[C@@H](C2)c2ccc(O)cc2OC1(C)C 15273922 VDNFSSVVXBUKRX-UNMCSNQZSA-N 408.538 5.588 0 1 HKAF endogenous,in-man CCO[P@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCCC1=S 26287756 XLHIHFISSKGGRI-RUZDIDTESA-N 416.508 6.116 0 1 HKAF O=C(O)CC/C=C\C[C@H]1CO[C@@H](c2ccc(C(F)(F)F)cc2)O[C@@H]1c1cccnc1 27744997 XOQYYYDNOJHZEH-MWSSCWGOSA-N 421.415 5.314 0 1 HKAF CCCOC(=O)Nc1nc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2s1 28457628 GRCJEVVMWIEACP-UHFFFAOYSA-N 424.309 5.814 0 1 HKAF O=C(O)CC/C=C\C[C@@H]1CO[C@H](c2ccc3ccccc3c2)O[C@H]1c1cccnc1 36242248 QILXQJUTHTWRNC-KZTNHBIKSA-N 403.478 5.449 0 1 HKAF O=C(O)[C@@]1(Cc2cc3ccc(F)cc3[nH]2)CSC(c2ccc3ccccc3c2)=N1 38253317 OAXGKKFOURUVRJ-HSZRJFAPSA-N 404.466 5.020 0 1 HKAF CC(C)(C)c1ccc(C(=O)O[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 39233053 MPKFUFRVAUAVAL-HXUWFJFHSA-N 417.336 6.086 0 1 HKAF COc1cc(-c2ccc3cc(C(=O)O)ccc3c2)cc(C23CC4CC(CC(C4)C2)C3)c1 40874117 WALXQMVHTDMGJS-UHFFFAOYSA-N 412.529 6.681 0 1 HKAF Cc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1C[C@H]1SC(=O)NC1=O 45373014 LZXANMVLXMKDKG-OAHLLOKOSA-N 415.820 5.354 0 1 HKAF CCc1cnc(-c2cnc(NCc3ccccc3OC)nc2-c2ccccc2C)s1 82177634 PTQMYTOUNAMBFA-UHFFFAOYSA-N 416.550 5.759 0 1 HKAF Clc1ccc(-c2cc(COc3ccccc3-c3nc4ccccc4s3)on2)cc1 84704133 ZKEBIQZIGYYKPV-UHFFFAOYSA-N 418.905 6.851 0 1 HKAF Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-n3ccnc3)cc2)cc1 96284089 UFUDJJBHRBMKDD-UHFFFAOYSA-N 414.513 5.308 0 1 HKAF CCCNc1ncc(-c2ccc(OC(F)(F)F)cc2)cc1C(=O)c1ccc(F)cc1 96938335 ZSXWWWHRKFMCRA-UHFFFAOYSA-N 418.390 5.839 0 1 HKAF CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc4ccccc4n32)cc1OC 103539522 WRDGUEOJTRJCJM-QHCPKHFHSA-N 417.509 5.751 0 1 HKAF COc1ccccc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OCCc1ccccc1 103544473 LLDODLDZLXLSJW-DEOSSOPVSA-N 417.505 5.289 0 1 HKAF CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 103873150 GJRVGQUNONLLDC-QFIPXVFZSA-N 406.913 6.095 0 1 HKAF CCC[C@@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1)CCCCC3 113124344 CSSOQTZJEXUYQZ-LJQANCHMSA-N 407.579 6.817 0 1 HKAF COc1ccc(CNc2ccc(-c3ccn4c(CC5CC5)nnc4c3Cl)cc2)cn1 114490243 BFNKHJQEFAZUDE-UHFFFAOYSA-N 419.916 5.018 0 1 HKAF CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 137700373 NYZFLRDFXVCLQW-GUPLTDBGSA-N 416.646 5.827 0 1 HKAF O=C(O)c1cccc2nc(-c3c(F)c(F)c(-c4cccc(F)c4)c(F)c3F)[nH]c12 168612103 BTKIPCTWQQCUQY-UHFFFAOYSA-N 404.294 5.291 0 1 HKAF COC(=O)/C=C/c1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c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c1ccc(NC(=O)Nc2cc3ncncc3cc2OCc2ccc(Cl)cc2)cc1 299823824 AVRLHXUQWXVZHU-UHFFFAOYSA-N 418.884 5.815 0 1 HKAF CC(C)CC[C@H](O)[C@@](C)(O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C 299850096 LMMRHWWBNFVJIU-VFKBEMPESA-N 404.679 6.584 0 1 HKAF C[C@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1)c1ccc(F)cc1 299883855 SCENWXDAMFQKAL-JBZDTAIVSA-N 412.848 5.041 0 1 HKAF Brc1ccc2nc(-c3cn(-c4ccccc4)nc3-c3ccccc3)[nH]c2c1 473116268 WLADWNNECCTTIC-UHFFFAOYSA-N 415.294 5.845 0 1 HKAF CCCOc1cc2nc([C@H](C)SCc3ccccc3)[nH]c2cc1Br 586963437 NVQGGDKWBPPQBE-ZDUSSCGKSA-N 405.361 6.109 0 1 HKAF O=C1c2ccccc2-c2c(C3CCCCC3)c(-c3ncccn3)nc3ccc(O)c1c23 586987965 IVDZKSXCDGPUOL-UHFFFAOYSA-N 407.473 5.657 0 1 HKAF COc1ccc([C@H](C)c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1OC 586992039 MOTREUCKNCAABW-AWEZNQCLSA-N 411.457 5.321 0 1 HKAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(Br)c(F)c2[nH]1 587010898 FOZPXMYGXZXFNT-UHFFFAOYSA-N 402.292 5.487 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc2c1 587015975 LTZBNTXOSJDITM-UHFFFAOYSA-N 404.278 5.447 0 1 HKAF COc1cc(/C=C\c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc(Cl)c1OCC(C)C 587046976 QNDPLNYDIPRCCP-PLNGDYQASA-N 418.852 5.267 0 1 HKAF Clc1ccccc1-c1cc(-c2nc3cnc4ccccc4c3[nH]2)c2ccccc2n1 587060280 JLFQBKPDPNJYGR-UHFFFAOYSA-N 406.876 6.647 0 1 HKAF Cc1nc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2cc1Br 587083462 VPORGNJEDXBVRT-UHFFFAOYSA-N 408.086 5.551 0 1 HKAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3ccnc(Br)c3[nH]2)c1 587093447 MRPRFMDCZNALMM-UHFFFAOYSA-N 410.115 5.425 0 1 HKAF CCOC(=O)c1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587110259 PWAPMELDTJHXKI-UHFFFAOYSA-N 416.321 5.368 0 1 HKAF CCOc1cc(/C=C/c2nc3cc(Br)cc(C)c3[nH]2)ccc1OC(F)F 587130591 MXHUGHNBQXFMGO-FNORWQNLSA-N 423.257 5.804 0 1 HKAF Cc1cc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587143934 CWIJIVLNLOLECQ-UHFFFAOYSA-N 416.239 5.744 0 1 HKAF COc1cccc(-c2cc(F)cc(-c3nc4c(F)cnc(Br)c4[nH]3)c2)c1 587160167 JWJRFYVQLCBDID-UHFFFAOYSA-N 416.225 5.341 0 1 HKAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587175487 SWAMGTKBFSEWSC-LJQANCHMSA-N 402.498 5.577 0 1 HKAF Brc1cccc(Oc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)c1 587208021 JXUDYBQDJJPIRG-UHFFFAOYSA-N 402.291 6.555 0 1 HKAF Nc1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)c2ccccc2c1 587252451 WKHNUQXCSBURGG-UHFFFAOYSA-N 417.104 5.490 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](c2cncnc2)CCC3)c1 587363940 UPXJAOPFOZKXSZ-IBGZPJMESA-N 407.473 5.915 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)O2 587380140 BIGVQMOUTXZKBF-DOTOQJQBSA-N 419.321 5.156 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cc(C(F)(F)F)c1F)O2 587381459 JFKBCJHRCTUHEG-CQSZACIVSA-N 418.184 5.204 0 1 HKAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1ccccc1C 587400164 OLBKIKHQVVQSMS-HSZRJFAPSA-N 403.478 5.180 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(Cl)c1)(c1c(N)sc3c1CCC3)O2 587415755 WRCAWIFQYYPUBR-QHCPKHFHSA-N 424.953 5.272 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1Oc1cccc(Cl)c1)CC2=O 587458740 BTOVWEOIIRVAJE-QHCPKHFHSA-N 408.881 6.497 0 1 HKAF CCCc1c(O)ccc2c1O[C@](COCC(F)(F)F)(c1ccc(C)cc1)CC2=O 587460220 HDNUAYNGTXQSFB-OAQYLSRUSA-N 408.416 5.093 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(F)F)c(OCC3CC3)c1)CC2=O 587466959 RGCNLKRUXGNXDW-FQEVSTJZSA-N 418.436 5.441 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 587486862 MUVSFNOYLOWMJU-ZJZZYZHZSA-N 405.538 5.266 0 1 HKAF O=C1C[C@@H](c2cc(Br)cc(Cl)c2F)Oc2c1ccc1c2CCCC1 587508480 VWURVLAAZCZFNX-KRWDZBQOSA-N 409.682 5.827 0 1 HKAF CCOC(=O)[C@]1(c2ccc3ccccc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587524529 RWFRUFMFCWJXAH-AREMUKBSSA-N 400.474 5.142 0 1 HKAF O=C1C[C@](c2ccccc2)([C@@H]2CCCc3ccccc32)Oc2c1ccc1c2CCCC1 587526151 RCCMMJLUVAGVIE-UHSQPCAPSA-N 408.541 6.546 0 1 HKAF COc1ccc(OC)c([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587528043 YVWIOVBBEKOIHO-HHHXNRCGSA-N 414.501 5.492 0 1 HKAF C[C@]1(c2cc(F)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547384 LGWNGNRLXBLWQO-GHTZIAJQSA-N 418.342 5.427 0 1 HKAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(C)C 587597090 SCTRGEKIZSAHFM-RDGATRHJSA-N 420.461 5.139 0 1 HKAF C[C@@]1(c2ccc3c(c2)Cc2ccccc2-3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601708 GQJQDXGYCBQPAT-LSYYVWMOSA-N 420.464 5.840 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccccc1O 587607036 GTLFCMPRUZCMRL-JYFHCDHNSA-N 410.425 5.003 0 1 HKAF Cc1ccnc(NC(=O)c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1 587626721 WMXWCRGDOYXRNM-UHFFFAOYSA-N 401.310 5.470 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(C(=O)c3ccccc3O)c2c1 587641143 KPLPQIRNQJIDMJ-OAHLLOKOSA-N 403.909 6.938 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccco2)N1 587700031 LHQHTNOBZZPSSK-ODXCJYRJSA-N 420.709 5.661 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2cccc(C(F)(F)F)c2)N1 587710051 BNGNZLRMGBCSSD-VGRKWCOYSA-N 414.240 5.896 0 1 HKAF CCCC[C@]1([C@H]2CCOC(C)(C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587831658 ILBDXSLZZIHBKD-WDUKFBBWSA-N 412.387 5.713 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)s2)(C2CCC2)N1 587850521 ZLXIYPOIKKDJIF-MLCYQJTMSA-N 414.771 5.881 0 1 HKAF CCNc1cc(-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)ccn1 587922676 GQDLPFHPFUXDDO-UHFFFAOYSA-N 414.509 6.591 0 1 HKAF c1ccc(CSc2ncc([C@H]3NCCc4cccc(-c5ccccc5)c43)cn2)cc1 962663067 FTNGYIZJIPWCLM-RUZDIDTESA-N 409.558 5.671 0 1 HKAF CCOC(=O)c1ccc([C@]2(C(F)(F)F)N[C@@H](CC)Cc3c2[nH]c2ccccc32)s1 962960070 RWSZEEQNGMKMOH-YUNKPMOVSA-N 422.472 5.136 0 1 HKAF CCCCOc1ccc([C@@H]2c3ccsc3CCN2Cc2cccnc2)cc1OCC 963006192 IIOAFRAFOHNSBR-RUZDIDTESA-N 422.594 5.868 0 1 HKAF CCSc1ccc([C@@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)c(Cl)c1Cl 963102449 KFGOWXOOQJDDGK-QVKFZJNVSA-N 410.385 6.529 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCCCCC(=O)OCC)c1ccc(C)cc1 963243570 SQCPUZAIZAIHIZ-FIPFOOKPSA-N 421.625 6.409 0 1 HKAF COc1cccc(Cc2cc3c(s2)CCN2Cc4c(OC)ccc(OC)c4C[C@H]32)c1 1857643083 GNHZCYFFQKMAHI-JOCHJYFZSA-N 421.562 5.020 0 1 HKAF O=C(Nc1ccccc1)Nc1cccc(-c2nc3cc(C(F)(F)F)ccc3s2)c1 1857762229 RAKGAROAAJBKKE-UHFFFAOYSA-N 413.424 6.626 0 1 HKAF Cc1c2c(cc3c1[C@H](O)C[C@]1(C)[C@@H]3CC[C@@H]1[C@H](C)C=C[C@H](C)C(C)C)CC[C@H](O)C2 2356393678 PWOLTSTXQZMPQX-DWKRNXNYSA-N 410.642 6.266 0 1 HKAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2[C@H](OC(=O)C(C)=CC)CC[C@H](C)[C@]12C 2356438620 MZACYIUHAUITMT-SOBSYGJFSA-N 414.542 5.625 0 1 HKAF COc1cc2c(cc1O)O[C@H]1c3ccc(O)c(CC=C(C)CCC=C(C)C)c3OC[C@H]21 2356559634 GIZZVIVXSZOUBO-IBVKSMDESA-N 422.521 5.951 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356569089 IGLXIHMNQDKKLE-CBHJOAFHSA-N 416.690 6.606 0 1 HKAF CC(C)=CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CC[C@H](C)CCO)[C@@](C)(O)CC[C@@H]21 2356621521 DNPNGMPLSLKKCQ-QWFXAVINSA-N 408.623 5.268 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356672937 CKGXQXQXIGPTGU-NVLYETHJSA-N 412.746 9.300 0 1 HKAF COC(=O)C1=C[C@H](OCC(C)C)[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CCc1ccoc1 2356699487 VSFOZPUOGJXMFT-FFHOAYQKSA-N 402.575 5.815 0 1 HKAF C[C@@H](C=C[C@@H](C)C(C)(C)O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356790449 FOZVAIZOTQTSCI-WSCNWUBWSA-N 414.674 6.526 0 1 HKAF CO[C@@H]1CC(=O)[C@H]2[C@]1(O)[C@]1(C)CC[C@@]23CC[C@@H]2[C@H](CCC(C)C)CCC[C@@H]2[C@]31C 2356846644 OPAUAZBACXZIPA-YROBPTMYSA-N 402.619 5.390 0 1 HKAF COc1cc(O[C@@H]2O[C@H](C)[C@H](C)[C@@H](C)[C@@H]2C)c2c(=O)c(-c3ccc(O)cc3)coc2c1 2356857763 SMKSDRFSKFABKS-BKAYTKHSSA-N 424.493 5.206 0 1 HKAF COC(=O)C=C(OC)[C@H](C)[C@H](C=Cc1csc(CCCCCC(C)C)n1)OC 2356868246 WZUBQUSSGYCRFH-MJGOQNOKSA-N 409.592 5.270 0 1 HKAF COc1ccc(-c2ccc(-c3cc(=O)oc4cc(OC)c(OC)c(OC)c34)cc2)cc1 13814087 BNCGFYZNHWQBFU-UHFFFAOYSA-N 418.445 5.161 0 3 HKAF Cc1nc(SCc2nc3cc(C(F)(F)F)ccc3[nH]2)c2oc3ccccc3c2n1 36380930 KKBQSVWNFDDIDK-UHFFFAOYSA-N 414.412 5.872 0 3 HKAF CC(C)(C)c1ccc(C(=O)N2CC[C@@]2(C)C(=O)Nc2cccc3ccccc23)cc1 61928722 GIOKTATTWWIPKG-SANMLTNESA-N 400.522 5.381 0 3 HKAF CCn1c2ccccc2c2cc(CN3CCC(O)(c4ccc(Cl)cc4)CC3)ccc21 2497447 ZFHZECQGGCBKAZ-UHFFFAOYSA-N 418.968 5.951 0 1 HKAF Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccc(C)c4C)c3n2)cc1 9775314 PNTPTRLUBVDWAU-UHFFFAOYSA-N 424.426 5.593 0 1 HKAF O=C(Nc1ccccc1)Nc1ccccc1CN1CCC(Cc2ccc(F)cc2)CC1 13475796 TZAOOVVJBARAQB-UHFFFAOYSA-N 417.528 5.924 0 1 HKAF O=C(O)CCc1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1 13554037 ZJWQRJDNLSSQHZ-UHFFFAOYSA-N 414.526 6.678 0 1 HKAF Cc1cc(C)cc(-c2[nH]c3ccccc3c2CCNCCCCCc2ccncc2)c1 26017386 XGPUBBBQAZIQJY-UHFFFAOYSA-N 411.593 6.392 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@@H](CCC(=O)OC)OC(C)=O 28333495 GBKUBNVEVWTJNR-QGBCAVADSA-N 400.559 6.179 0 1 HKAF CCN(CC)CCOc1ccc(C2=C(c3ccccc3)CCOc3ccccc32)cc1 28461584 NCDSFNIQSBSOFC-UHFFFAOYSA-N 413.561 6.149 0 1 HKAF Clc1ccc([C@@]2(Cn3ccnc3)OC[C@@H](CCc3ccccc3)O2)c(Cl)c1 28769324 JCAZSATUZWCXLC-NQIIRXRSSA-N 403.309 5.091 0 1 HKAF CC(C)NC(=N)c1ccc2oc(Cc3cc4cc(C(=N)NC(C)C)ccc4o3)cc2c1 28870054 GSLLPYKPGOZBNE-UHFFFAOYSA-N 416.525 5.417 0 1 HKAF CSc1ccc(OCCCCCCN2CCN(c3ccnc(Cl)c3)C2=O)cc1 29395782 JRBZLPKKLMSFBI-UHFFFAOYSA-N 419.978 5.338 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O 33820984 RZGBUYPXUNUTNL-PJRINEHDSA-N 418.662 5.763 0 1 HKAF COc1c(Cl)c(C)c(Cl)c2c1[C@H]1c3c(C=O)c(O)cc(O)c3C[C@@H]1C(C)(C)O2 40403353 ANCGXXHYXGKUAF-XHDPSFHLSA-N 423.292 5.009 0 1 HKAF biogenic CCc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCN(CC)CC 40567812 JFQYBFQWOFRQNV-UHFFFAOYSA-N 416.565 5.889 0 1 HKAF Cc1ccc2[nH]c(-c3cc(-c4ccc(OCc5ccccc5)cc4)cnc3N)nc2c1 45226766 WDXLPPIGUYBOHV-UHFFFAOYSA-N 406.489 5.762 0 1 HKAF C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1Cl 49037671 CFLJFAYDIFZILI-XMSQKQJNSA-N 411.973 5.543 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1cc(O)cc(O)c1)O2 49116295 CVIHLQPNGRNSIC-CEMXSPGASA-N 424.493 5.451 0 1 HKAF Nc1ncc(-c2ccc(-c3ccccc3)cc2)n1C1CCCCCCCCCCC1 66100813 CTSNRWPYIZNAFP-UHFFFAOYSA-N 401.598 7.645 0 1 HKAF Cc1noc(NC(=O)N2CCC3(CC2)C[C@H](c2ccc(Cl)c(Cl)c2)CO3)c1C 73161884 BKRHGHNOFQQHAI-HNNXBMFYSA-N 424.328 5.169 0 1 HKAF Cc1cnc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc(-c3ccccc3)cc2)o1 82176687 XVJBPGCAXGDESD-RTBURBONSA-N 424.548 6.256 0 1 HKAF CCC1=C(c2nc(C3CCCCC3)cs2)[C@H](c2ccc(O)c(Cl)c2)NC(=O)N1 84632722 NQJKCHXFXYYDBH-IBGZPJMESA-N 417.962 5.725 0 1 HKAF CC(C)Cc1ccc([C@@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)cc1 84713290 FLWKEBNPNOJZFO-LJQANCHMSA-N 402.969 7.088 0 1 HKAF Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(OC(C)C)cc2)cc1 95591274 FEWVUZDMZMODDZ-UHFFFAOYSA-N 409.551 5.173 0 1 HKAF COc1cc(OC)cc(-c2cc(C)c3nc(Nc4cc(C)ccc4C)nnc3c2)c1 96167699 AVFBAZCXPZASIX-UHFFFAOYSA-N 400.482 5.378 0 1 HKAF CCN(CC)C(=O)[C@@H]1Sc2ccccc2-c2c1c1cc(F)ccc1n2CCF 96909208 QADKGESFRPHMRQ-OAQYLSRUSA-N 400.494 5.432 0 1 HKAF O=C(Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12)c1ccc2ccccc2c1 96922644 DAEWAIMZYPZEMA-UHFFFAOYSA-N 412.474 5.220 0 1 HKAF COC(=N)Cc1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1 103239630 ULSLPKHZPXIVRD-UHFFFAOYSA-N 405.498 5.279 0 1 HKAF Cc1ccc(CN(Cc2cc(O)n3nc(-c4cccc(C)c4)cc3n2)CC(C)C)cc1 103657177 NRLQZNBICMGRHC-UHFFFAOYSA-N 414.553 5.377 0 1 HKAF Fc1cnc(-c2ccccc2C(F)F)nc1NCc1ccc(-c2cccnc2)cc1 169303452 DAQSDYWUYFIPKT-UHFFFAOYSA-N 406.411 5.894 0 1 HKAF CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)cc2ccccc12 169336131 XKIPWRKMLKWMLE-SANMLTNESA-N 410.001 7.096 0 1 HKAF Cc1ccsc1S[C@@H]1C(=O)C[C@@](CCc2ccccc2)(c2ccccc2)OC1=O 169716104 WADIZWXIRXMEIC-QPPBQGQZSA-N 422.571 5.562 0 1 HKAF CC[C@@]1(C(=O)Nc2cccc(C(F)(F)F)c2)CC(=O)N(c2c(C)cccc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c1ccc(-c2nc3ccc(Nc4ccnc5ccccc45)cc3[nH]2)cc1 299825996 NZDFWWIUSSISBZ-UHFFFAOYSA-N 404.395 6.541 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 586878526 JJLWEPPSMBGVKN-UHFFFAOYSA-N 410.395 5.976 0 1 HKAF Cc1cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586879914 UPBQXNHCIHTHOL-UHFFFAOYSA-N 400.331 5.460 0 1 HKAF Cc1ccc2ccccc2c1-c1nc2cc(Br)c(Br)cc2[nH]1 586883542 KFVZKQHQPIPDLC-UHFFFAOYSA-N 416.116 6.217 0 1 HKAF CCCC(Br)(CCC)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586971599 VQYPBWZLCGAXPA-UHFFFAOYSA-N 413.665 6.305 0 1 HKAF Brc1cc2nc(CSCc3ccsc3)[nH]c2cc1Br 587027113 PJLMAKYMPCYZBN-UHFFFAOYSA-N 418.179 5.583 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c2)c1 587050366 PLNKNWYBIIRGOY-UHFFFAOYSA-N 402.668 6.065 0 1 HKAF Cc1ccc2c(ccc3nc(/C=C(\CCc4ccc(Cl)cc4)c4ccccc4)[nH]c32)n1 587073826 PAVRPFHNEKMTTH-HEHNFIMWSA-N 423.947 7.246 0 1 HKAF CC(=O)Oc1ccc(CCc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587099422 HYJACKXCSVVBRZ-UHFFFAOYSA-N 407.469 5.465 0 1 HKAF CC1=CCCC(C)(C)[C@H]1/C=C(\C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099446 ITVIACGBJCHOTM-KOZCBZIKSA-N 407.557 7.540 0 1 HKAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)n1 587119741 VXHQLFJXUNDFSX-UHFFFAOYSA-N 412.415 5.283 0 1 HKAF Cc1cc(Br)c(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1F 587137669 FHVGVXYRHIASCQ-UHFFFAOYSA-N 411.278 5.271 0 1 HKAF CCOC(=O)Cc1ccc2nc(-c3ccc(-c4ccc(OC)cc4F)cc3F)[nH]c2c1 587153016 UVKFHARSIIIPNV-UHFFFAOYSA-N 422.431 5.289 0 1 HKAF CN(C)C(=O)c1ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 587159088 MGSWZHRKLGPPJC-OAQYLSRUSA-N 423.875 5.226 0 1 HKAF CCOC(=O)Cc1ccc2nc(Cc3cccc(-c4ccc(F)cc4OC)c3)[nH]c2c1 587159192 LZZGYKDXEYWHLM-UHFFFAOYSA-N 418.468 5.074 0 1 HKAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(F)cc3[nH]2)c1C 587165414 AZGBFQYDVDHGQT-UHFFFAOYSA-N 409.436 5.037 0 1 HKAF CCCC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326816 DCUZIIRZBHCZQV-ZCYQVOJMSA-N 424.899 6.629 0 1 HKAF C[C@@H]1CCc2c(F)cccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587340039 WTARACGOYBMYNE-LBEFLKDASA-N 406.428 5.507 0 1 HKAF Cc1cc(C)n([C@@H]2CCC[C@]3(C2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)n1 587343472 TYRAPLOSRHVYOT-HFRGRHLUSA-N 420.484 5.258 0 1 HKAF CC[C@]1(c2ccc([C@H](C)OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345697 GHZGVKQAGHKGDG-JRWZBITLSA-N 420.480 5.903 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(Br)cc1C)[C@@H](C2)C3=O 587416648 DUEBAOWORGXYBH-AOMKIAJQSA-N 424.294 5.046 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc(C(F)(F)F)c4)o1)[C@@H](C2)C3=O 587423623 UFNDYKALNNDNAH-BTYIYWSLSA-N 400.352 5.463 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(Br)cc(C)c31)CC2=O 587459434 WTYZPCIFKCTXKA-NRFANRHFSA-N 401.300 5.223 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(CC)cc1)(c1ccccc1Cl)CC2=O 587462251 OJNBTAYDHLGTAC-AREMUKBSSA-N 420.936 6.470 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc3ccccc3c1)CC2=O 587479218 CEWYQVBVPWVYEP-MUUNZHRXSA-N 408.497 6.407 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3ccccc3)ccc1OCC)CC2=O 587481591 QTBQZRPMZNRFCB-RUZDIDTESA-N 402.490 6.117 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(OCc3ccccc3)c(C)c1)CC2=O 587490812 ZNMXPZSFQGTXQN-HSZRJFAPSA-N 403.478 5.334 0 1 HKAF O=C1C[C@](Cc2cccnc2)(c2cccc(Cl)c2)Oc2c1ccc1c2CCCC1 587498779 GUESSHNULHWVIW-RUZDIDTESA-N 403.909 5.717 0 1 HKAF Cc1ccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 587604395 WFPVTHFRICKCED-IGKIAQTJSA-N 408.453 6.071 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc(Cl)ccc3n2C)N1 587699594 QYHWFNFLNFKDRF-DGIBIBHMSA-N 407.714 5.357 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)ccc2F)N1 587716263 ZDEIGOMGOYMJQT-ZKANADHPSA-N 406.192 5.370 0 1 HKAF CC[C@@]1(c2c(F)cccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 587721739 QKSMZXMRFMOWTR-MLCYQJTMSA-N 400.694 5.569 0 1 HKAF CCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587794613 OXUSQDDSOZHGNJ-YUNKPMOVSA-N 408.311 5.009 0 1 HKAF Cc1cc(C)cc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 587821220 TZIRKXPIUXPNRE-UPCLLVRISA-N 424.357 6.496 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3cccs3)cc2)N1 587852462 LEURZVGPKZLRNO-YEJXKQKISA-N 416.359 6.114 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccsc3)nc2)N1 587853478 NJAGTRQWLSBJJQ-JEOXALJRSA-N 403.320 5.335 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccsc1-c1sccc12 587853689 AXRRPSFRYBONPV-SECBINFHSA-N 406.345 5.518 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3sc(C=O)cc3s2)N1 587858189 PDWUPZXUAVFLSY-WNWIJWBNSA-N 410.333 5.301 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1C[C@@H]1c1ccc(C)cc1 587862821 XHLSLWMSZPUYDY-SJORKVTESA-N 400.400 5.330 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(Br)cn1 587864637 QRVJNNULDVYCDQ-UHFFFAOYSA-N 412.209 5.114 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1c(Cl)cncc1Cl 587865341 VLRAAWSLOFJAAQ-UHFFFAOYSA-N 402.203 5.659 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(C2CCCCC2)cc1 587870637 NSOUCKLXKLZFQX-UHFFFAOYSA-N 422.500 5.855 0 1 HKAF O=C(OCc1ccccc1)N1CCC[C@H](c2nc(-c3cc(F)ccc3F)cs2)C1 587921943 DBTVIVUMSCKRDQ-INIZCTEOSA-N 414.477 5.605 0 1 HKAF COc1ccc(-c2cccc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c2)cc1 587935570 NYQPZXAYLLYYLW-UHFFFAOYSA-N 400.425 6.517 0 1 HKAF CCCCc1ccc(-n2c(O)cc(-c3cccc(Cl)c3)c2O)c(Br)c1 587936016 JDTPFXRZUXARON-UHFFFAOYSA-N 420.734 6.314 0 1 HKAF O=C(O)c1cccc(-c2cccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)c2)n1 587938241 ROUOIOZVXYPRML-UHFFFAOYSA-N 416.480 6.572 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cncc(C)c2[nH]1 587961584 UTGOSVVVLBCBBO-UKFPHXRLSA-N 417.641 8.121 0 1 HKAF CC(C)[C@]1(c2cccs2)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961744549 AAFAGFLTWFYIDV-XMMPIXPASA-N 412.599 5.799 0 1 HKAF COc1ccc2c(c1)[C@@](c1ccccc1C)([C@H]1CC[C@@H](C(=O)O)C1)N(C(C)C)CC2 962086797 CYBGAIHJMPTWFF-SWYRRKHMSA-N 407.554 5.015 0 1 HKAF Cc1ccc([C@@]2(C3CCCC3)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1C 962976712 NZPPCIYXAIFOAD-WMZHIEFXSA-N 419.899 5.268 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCCCCCC(=O)O)c1cccc(F)c1 963230462 PLHAQAAPTKASHE-RXFWQSSRSA-N 411.561 6.151 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC12CC3CC(CC(C3)C1)C2)c1ccccc1 963236236 XWBQAJMAIBVLNC-CFTRJXSMSA-N 413.649 7.193 0 1 HKAF CCC[C@@H](C)N1CCC(N(Cc2ccccc2)C(=O)Nc2cccc(C(C)C)c2)CC1 1772627662 FEFYRZOTYUDMIE-JOCHJYFZSA-N 421.629 6.497 0 1 HKAF Cc1cccc(C)c1-c1cccc(COC2=C[C@@H]3SC(CCC(=O)O)=C[C@H]3S2)c1 1772636815 CNLZRXZDFVSSKZ-RTWAWAEBSA-N 424.587 6.308 0 1 HKAF COc1ccc(SCC(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 1857564539 XNLNXDZJYYAZKJ-UHFFFAOYSA-N 424.909 5.888 0 1 HKAF O=C(Nc1cc(Cl)nc(Cl)c1)OCCCCCNCc1c[nH]c2ccccc12 1857749985 DSFLCZDOVKMNEJ-UHFFFAOYSA-N 421.328 5.378 0 1 HKAF CC1=C[C@H](CN2CCC(C)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cccnc2)o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c2nnc(-c3cccc(Cl)c3)o2)CC(c2ccc(OC(F)(F)F)cc2)=NO1 15935494 VXOYOYKMIDWNGI-GOSISDBHSA-N 423.778 5.328 0 3 HKAF CCCCCCSc1ccc(-c2nc3ccc(C)cn3c2NC2CCCCC2)cc1 36382325 KVRCWMCCLWWUAX-UHFFFAOYSA-N 421.654 7.727 0 3 HKAF COc1ccc2c(c1)c(CCCC(=O)O)c(C)n2Cc1ccc(Br)cc1 840510 UJXYNESDORVEQW-UHFFFAOYSA-N 416.315 5.176 0 1 HKAF CCc1nc(-c2[nH]c3ccc(Cl)cc3c2S(=O)(=O)c2ccccc2)[nH]c1CC 5886942 QKQCTLAGNTVGPX-UHFFFAOYSA-N 413.930 5.169 0 1 HKAF C[C@H]1[C@H]2[C@H]3OC[C@]1(COC(=O)Nc1ccccc1)[C@H](C)C[C@]2(C)Oc1ccccc13 12656355 UONFBIWUOHBYQS-UYLQAXTISA-N 407.510 5.436 0 1 HKAF OCCCCCCCCCCCS[C@@H](Cc1ccc(O)cc1)c1ccc(O)cc1 13601037 SKEVSTJFFYFKCV-VWLOTQADSA-N 416.627 6.618 0 1 HKAF C[C@@](Cc1ccc(Cl)cc1)(Oc1ccc(Cc2ccc(Cl)cc2)cc1)C(=O)O 13604838 MNVFYGCTPJQRAX-QHCPKHFHSA-N 415.316 6.049 0 1 HKAF Oc1cc2ccc1Oc1cccc(c1)CCc1ccc(O)c(c1)Oc1ccc(cc1)CC2 14613071 HERFGBJXHYXNRT-UHFFFAOYSA-N 424.496 6.566 0 1 HKAF biogenic C[C@@H](O)c1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C1CCCC1 26257420 SKNUELOYQKBUOU-MRXNPFEDSA-N 414.509 5.641 0 1 HKAF CC(C)CC[C@H]1CCCCCCc2c1oc(=O)c([C@@H](c1ccccc1)C1CC1)c2O 27520317 NXQVAZCCMOUJJI-GGAORHGYSA-N 408.582 6.914 0 1 HKAF CCC[C@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc21 28566122 TWGPITPOBFPBHR-PKTZIBPZSA-N 419.521 5.802 0 1 HKAF Cc1ccc(C[C@H]2CO[C@@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 28768341 BGORGGDNYKIBTJ-GHTZIAJQSA-N 403.309 5.009 0 1 HKAF CCC(CC)n1cc2c3c(nc(C)cc31)N(c1ccc(OC(F)(F)F)cc1C)CC2 28958593 FSRSPCLMXBHMAB-UHFFFAOYSA-N 417.475 6.607 0 1 HKAF CC(C)(C[C@@](O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cccc2c1OCC2 34323435 NNTHLQVZGURUAX-QFIPXVFZSA-N 403.444 5.307 0 1 HKAF CC[C@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)C1(C)C 34345381 HRNVWBIKQMSFHI-XWFIMXOTSA-N 412.702 7.635 0 1 HKAF OC1(c2cccc(Cl)c2Cl)C[C@@H]2CC[C@H](C1)N2Cc1csc2ccccc12 40961358 MTASNPVDMSIQLV-XVQYUUQNSA-N 418.389 6.223 0 1 HKAF CC(C)(C)c1cc(N2CCC(N[C@@H](c3ccc(Cl)cc3)c3cccnc3)CC2)[nH]n1 72184903 KMYNGYWLMPLCLN-QHCPKHFHSA-N 423.992 5.104 0 1 HKAF O=C(O)[C@H]1C[C@@H]1COc1nc2c(F)c(-c3ccc(-c4ccccc4)cc3)c(F)cc2[nH]1 72316450 XYDQMCFXISPLLU-SJORKVTESA-N 420.415 5.275 0 1 HKAF COc1cc2nc(NCc3ccc(F)cc3)nc(NC3CCCCC3)c2cc1OC 82119747 DPICCRONUPQUAC-UHFFFAOYSA-N 410.493 5.143 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NC3CCCCCC3)ncnc21 82189307 LVDPVRFSNKXMPN-QGZVFWFLSA-N 407.562 5.683 0 1 HKAF CC(C)=CCC/C(=C\CC/C(C)=C/CC[C@@]1(C)C=Cc2cc(O)cc(C)c2O1)C(=O)O 96086331 QKXAGRZCXAYBQX-SCXLLTSKSA-N 424.581 7.129 0 1 HKAF O=C(C[C@@H]1COCC[C@H]1NC1CCCCC1)c1ccc(C(F)(F)F)cc1C1CC1 96170643 KZPNECYGASCGCP-IIBYNOLFSA-N 409.492 5.483 0 1 HKAF Cc1ccc(N[C@@H](c2ccco2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 103198397 NRPBXZWRSPGESQ-XMMPIXPASA-N 419.417 7.050 0 1 HKAF Cc1nc(SCC(=O)c2ccc(F)c(F)c2)n(Nc2ccc(Cl)cc2)c1C 103243279 KGHCTISVWVABJU-UHFFFAOYSA-N 407.873 5.282 0 1 HKAF Cc1cccc(CSc2nc3n(n2)[C@H](c2cccs2)C2=C(O)CCCC2=N3)c1 103532230 YPJNOIDXKGKFBR-LJQANCHMSA-N 408.552 5.612 0 1 HKAF COc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-c2cccnc2)cc1 169303727 QZKHOMCEQNDZDU-UHFFFAOYSA-N 410.521 5.950 0 1 HKAF O[C@H](c1cc(-c2ccc(Cl)cc2)cc2c(Cl)cc(Cl)cc12)[C@@H]1CCCCN1 169332349 RALABFFVMWGRQU-FCHUYYIVSA-N 420.767 6.643 0 1 HKAF C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@H]1C 238763947 GEPTVWUAPAVGBV-FBGOAHNRSA-N 414.542 5.625 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 255197674 BBTIMXAYZRWPNG-IRYJUSTPSA-N 414.718 8.025 0 1 HKAF CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]45C[C@H](O)CC[C@]4(C5)C3=CC[C@]12C 255200864 BSDPKBFUXWNFKP-IKXWPSFPSA-N 410.686 7.555 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 255244601 NGLLGTNDMOTXMC-VDLRACDQSA-N 414.718 8.025 0 1 HKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2c(S)nc(S)nc2[nH]1 586985050 XHFBMDJKELYUHS-LLVKDONJSA-N 423.405 5.065 0 1 HKAF Fc1cc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Cl 586998522 LVOMYAYCDKSTOH-SOFGYWHQSA-N 417.665 6.548 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3ccccc3OCc3cscn3)nc2c1 587029560 PYVPMJGHKWYWTL-UHFFFAOYSA-N 400.301 5.336 0 1 HKAF FC(F)(F)Oc1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1 587049547 BETYHRZSYWCUQN-UHFFFAOYSA-N 413.182 6.695 0 1 HKAF Oc1ccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(Cl)c1 587055551 UYTSGKIXAIXJHW-UHFFFAOYSA-N 407.573 5.250 0 1 HKAF Fc1c(Br)cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1F 587062713 JQJDDZBEILGGPN-UHFFFAOYSA-N 410.605 5.579 0 1 HKAF Cc1nn(-c2cccc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2)c(C)c1Cl 587064457 BLFSPJGQVQTUAX-UHFFFAOYSA-N 408.786 5.844 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc3ncccc3c2[nH]1 587069265 DMORSXKMOVEVSP-WOVWJSPASA-N 408.332 6.784 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(N5CCCCC5)ccc4N)nc13)-c1ccccc1C2=O 587096064 DBWZVRRULHZAHC-UHFFFAOYSA-N 419.528 5.994 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)cc2F)c1 587143460 TWFXONCWSGYGEB-UHFFFAOYSA-N 422.674 6.400 0 1 HKAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587150586 NFHDUHANSNZVOX-ZETCQYMHSA-N 421.163 5.762 0 1 HKAF CC(C)(C)c1cccc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 587170100 IKXYCXXOCDUBBF-UHFFFAOYSA-N 423.513 5.467 0 1 HKAF CC(C)(C)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2c1 587171564 RYSKMHYMUVBYAV-UHFFFAOYSA-N 423.513 5.467 0 1 HKAF Cc1ccc(NC2(c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)CCCC2)cc1 587236983 JBTNQCWIEWEGRY-UHFFFAOYSA-N 409.839 6.305 0 1 HKAF O=C1c2c(sc3c2CCCC3)N/C(=C/Cl)N1Cc1cc2c3c(cccc3n1)CC2 587361658 XZTKPMJMTJLCCQ-ODLFYWEKSA-N 421.953 5.379 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C)C(C)(C)[C@@H](C(=O)O)C3)c1 587366839 QVQFXNVOXCCMPO-AUUYWEPGSA-N 415.489 6.043 0 1 HKAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccccc1Cl 587375910 AQZMLPLZOCQTIU-HSZRJFAPSA-N 423.896 5.525 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(C)c(C)c4)cc4ccccn14)[C@@H](C2)C3=O 587436263 PANGWXPRYHFVHG-CUNXSJBXSA-N 409.485 5.720 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc(C(C)(C)C)cc1)CC2=O 587482542 PBWKRVIHXNMYQI-VWLOTQADSA-N 410.510 5.066 0 1 HKAF COc1cccc(COc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c1 587527938 ZTIDEPQTNLZFMV-SANMLTNESA-N 414.501 5.860 0 1 HKAF C[C@@]1(c2ccc(-c3ccccc3Cl)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587531446 KHGNXJUJZHMGSV-DEOSSOPVSA-N 408.950 6.828 0 1 HKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccccc1O[C@@H]2c1ccccc1 587536041 QUIGCCDJZOOKSG-KAYWLYCHSA-N 410.469 5.286 0 1 HKAF O=C1C[C@H](c2ccc(Br)c3nsnc23)Oc2c1ccc1c2CCCC1 587540011 ZFVYYPLBAISMOG-MRXNPFEDSA-N 415.312 5.039 0 1 HKAF CCCCOc1cc2nc(COc3cccc(C)c3C)[nH]c2cc1Br 587563612 GJCPEBYWUMAQSA-UHFFFAOYSA-N 403.320 5.700 0 1 HKAF Cc1ccc(Oc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601067 QIMAELQGEUOJKS-RPLLCQBOSA-N 424.452 6.196 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccccc1O 587607037 GTLFCMPRUZCMRL-OZXSUGGESA-N 410.425 5.003 0 1 HKAF C[C@@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613262 NPXQFLVROWZEMR-APWZRJJASA-N 417.280 5.093 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccccc2)cs1 587615372 WKLFDEQHTSAECU-SIKLNZKXSA-N 401.443 5.219 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)c3ccc(Br)cc3)c(-c3ccccc3)[nH]c12 587623739 NROIFUILWKCLGX-UHFFFAOYSA-N 424.725 6.790 0 1 HKAF Cc1ccc(NC(=O)c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1C 587625176 AXFFISUUGZNEFL-UHFFFAOYSA-N 414.349 6.383 0 1 HKAF O=C(Nc1ccc(Br)cc1)c1c(C(F)(F)F)[nH]c2cccc(F)c12 587634283 XHPHZYVXWVMGGJ-UHFFFAOYSA-N 401.157 5.341 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(C(F)(F)F)c2)N1 587711515 KVUYDYUMLVAOBO-ZKANADHPSA-N 406.192 5.370 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2F)N1 587713412 CFZIKAHJYBQVCX-BCTVWOGZSA-N 417.091 5.113 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3cccc(F)c3)no2)N1 587735613 YEIZYTSQEXETER-GIGQVBGESA-N 405.242 5.006 0 1 HKAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC(C)C)c1 587791446 JRGRILQRHXKVQC-YUNKPMOVSA-N 408.311 5.008 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1/C=C(\C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587816666 ZRPLXCFTMIBWOE-QULCQUSPSA-N 420.410 6.666 0 1 HKAF COc1cccc2cc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)oc12 587831778 YHTIGJDXQCRGNP-GIPWTMENSA-N 404.279 5.141 0 1 HKAF Cc1ccsc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587845021 QFKLCHATBRVFHN-QKKBWIMNSA-N 416.359 5.784 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C3CCCCC3)s2)N1 587846143 GTEFFWQXWHUYDW-ODXCJYRJSA-N 408.380 6.321 0 1 HKAF O=C(c1sc2cc(Cl)ccc2c1Cl)n1nc2cc1Oc1ccc(F)cc1-2 587875424 FRJFXLMEIZMDEM-UHFFFAOYSA-N 405.237 6.005 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(C)cc5OC)[nH]c4c3)o2)cc1 587924976 ICVSAUXZUBTCII-UHFFFAOYSA-N 412.449 5.273 0 1 HKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587952345 PGYBKXXLYYQXMP-GMXABZIVSA-N 419.285 6.391 0 1 HKAF Cc1cn(-c2ccc3nc(C4CC4)c(C)n3c2)c(=O)cc1OCc1ccc(Cl)cc1 653687579 KMILLQAPTCJKSV-UHFFFAOYSA-N 419.912 5.212 0 1 HKAF COc1cc(OCc2ccccc2C)ccc1-c1onc(C)c1-c1ccc(Cl)cc1 653727962 AOOWDDMZZBOIRA-UHFFFAOYSA-N 419.908 6.866 0 1 HKAF COc1ccc2c(c1)[C@](Cc1nc3ccccc3[nH]1)(c1ccccc1)N(C(C)C)CC2 962094796 XMRHRMHWATXPOZ-MHZLTWQESA-N 411.549 5.324 0 1 HKAF CCc1ccc([C@@]2(c3ccc(Cl)c(Cl)c3)NCCc3nc4ccccn4c32)cc1 962988195 XEMNMWOTNIHQFB-DEOSSOPVSA-N 422.359 5.641 0 1 HKAF CN1C(=O)C[C@H]2CN[C@@](c3ccc(Cl)c(Cl)c3)(C(C)(C)C)c3cccc1c32 963014870 ASYOKUMFUPASAV-WHEQGISXSA-N 403.353 5.336 0 1 HKAF COC(=O)[C@]1(CC=C(C)C)C[C@@H](CC=C(C)C)C(C)(C)[C@@H](C(=O)c2ccccc2)C1=O 1772609289 BULJMHGTVRJRRK-UMTXDNHDSA-N 424.581 5.973 0 1 HKAF COc1cc(C)cc(OC)c1-c1cc(F)cc([C@@H](CC(=O)O)c2ncc(C)s2)c1 1772624730 YQCGAFIBRSFAIV-QGZVFWFLSA-N 415.486 5.190 0 1 HKAF FC(F)(F)c1c(OC[C@H]2C[C@H]2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12 1772639346 LETPPZNSGLCXSE-ZBFHGGJFSA-N 421.850 5.537 0 1 HKAF CN(Cc1ccccc1OCCC/C=C/C(=O)O)C(=O)c1ccc(-c2ccco2)cc1 1857754797 PRLUQZAEJIZRCO-QDEBKDIKSA-N 419.477 5.019 0 1 HKAF C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)C3CCCCC3)CC[C@H]12 2356308518 YOVFVQWNQMEMNF-PNLXRRAESA-N 400.603 6.090 0 1 HKAF CC(=C[C@H](C)[C@@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)[C@H](C)C(C)C 2356459329 IBLYVOWFIMIDBP-YVGXCBJPSA-N 412.702 7.945 0 1 HKAF CC(C)CCC[C@@](C)(O)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4CCC=C[C@]4(C)[C@H]3C(=O)C[C@@]21C 2356584075 RZWSJYQJDMMWTQ-NMYYYQJGSA-N 414.630 5.747 0 1 HKAF CCC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@@H]3CC[C@]12C)C(C)C 2356645350 MVTBWZPAISRVGC-NODYODJOSA-N 416.734 8.105 0 1 HKAF COc1cc(O)c(C)c(CC=C(C)CC=CC(C)=C[C@@H](C)[C@@H](O)C(C)=CC(C)C)n1 2356675620 CHFFBNSQZJTFMA-RLWLMLJZSA-N 413.602 6.085 0 1 HKAF CCCN(CC1CC1)c1nc(C)nc2c1sc(=S)n2-c1c(C)cc(C)cc1C 2022605 GTUDMVRQWMSPCW-UHFFFAOYSA-N 412.628 6.072 0 1 HKAF O=C(NCC1CCN(Cc2cccc(Cl)c2)CC1)Nc1ccc(F)c(Cl)c1 6819294 RUGYNWMSERWJIV-UHFFFAOYSA-N 410.320 5.166 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3 13549224 RFSQQROZMSPZKI-SZOUJYBPSA-N 400.691 7.779 0 1 HKAF Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)c(Cl)c2)c1 13673680 RARJZQNSSRFGEU-UHFFFAOYSA-N 409.902 5.546 0 1 HKAF CCc1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 13834331 GWSCNWNCOYEDTN-UHFFFAOYSA-N 409.551 5.265 0 1 HKAF c1ccc([C@H]2CCc3ccc(OCCCN4CCN(c5ccccc5)CC4)cc32)cc1 26507871 KNKKDPPARKXECL-HHHXNRCGSA-N 412.577 5.356 0 1 HKAF C[C@@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc(C(=O)c2ccc(F)cc2)c1 29404149 ZXEZBERMOMMNEP-KDYSTLNUSA-N 421.600 6.985 0 1 HKAF CC(C)(C)c1ccc(COC[C@H](Cn2cncn2)c2ccc(Cl)cc2Cl)cc1 39033591 VVYQCVTVDSRGKM-KRWDZBQOSA-N 418.368 5.883 0 1 HKAF Cc1cccc2nc(-c3ccc(-c4cccc(NC(=O)Nc5ccccc5)c4)cc3)[nH]c12 45202365 RRTHDKRHRXGZLB-UHFFFAOYSA-N 418.500 6.849 0 1 HKAF N[C@H]1CCCN(Cc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)s3)cc2)C1 45227381 NMHDHZKEFJAKAH-SFHVURJKSA-N 406.530 5.021 0 1 HKAF Cc1cc2nc(-c3ccc(C(=O)NCc4ccc(C(C)(C)C)cc4)cc3)[nH]c2cc1C 45230350 QRCDWHGJWQZZAX-UHFFFAOYSA-N 411.549 6.074 0 1 HKAF CCCc1ccc(CNC[C@H]2CCC[C@H](CNCc3ccc(CCC)cc3)C2)cc1 45392039 ZCZOWWVMWRDFQJ-NSOVKSMOSA-N 406.658 6.277 0 1 HKAF O=C(Nc1nc(CCO)cs1)[C@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 49785949 NBHYTLAIODYUBN-OAHLLOKOSA-N 413.370 5.287 0 1 HKAF COc1ccc(C(=O)N(Cc2ccc(-c3ccc(Cl)cc3)o2)C2CCCCC2)cc1 72127541 ZTJPHGHTGKOMBY-UHFFFAOYSA-N 423.940 6.584 0 1 HKAF CCc1nc(N(CC2CC2)CC2CC2)c(CC)nc1-c1ccc(Cl)cc1Cl 72175117 OEMVORCQPXPJOT-UHFFFAOYSA-N 404.385 6.202 0 1 HKAF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccc(F)cc1 82136267 IZJXWRGQHRCHRS-VGOFRKELSA-N 424.564 5.583 0 1 HKAF CCN(C)c1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccco2)n1 82166464 JQBAPODUCGKDHC-UHFFFAOYSA-N 422.510 5.000 0 1 HKAF CCCCCc1nc(-c2cnc(NCCCOC)nc2-c2cccc(C)c2)oc1C 82167429 XQUQVWQEIPJAMZ-UHFFFAOYSA-N 408.546 5.597 0 1 HKAF CC[C@H](C)Cn1c(-c2cccs2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188476 DEBZMFVCMGGDHQ-IRXDYDNUSA-N 405.571 5.817 0 1 HKAF CCCCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCc3cccs3)ncnc21 82190053 MOUQQJHTQUPOBV-UHFFFAOYSA-N 423.542 5.071 0 1 HKAF O=c1[nH]c(-c2ccc(Cl)cc2Cl)nc2c1oc1ccc(Br)cc12 84668542 WZTOVDHYAYCPOP-UHFFFAOYSA-N 410.054 5.406 0 1 HKAF O=C(Nc1ccc2cc(CN3CCCC3)cnc2c1)N1CCC(c2ccccc2)CC1 84758906 WABKHWFSDOFXOV-UHFFFAOYSA-N 414.553 5.242 0 1 HKAF C[C@@H]1SC2(CCC(C(C)(C)C)CC2)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O 95563722 MSHHJNRKQARACG-DACOHQGBSA-N 418.647 5.131 0 1 HKAF O=C(Nc1cc(Sc2nncs2)c(O)c2ccccc12)c1ccc(Cl)cc1 96922658 YJPGQZUYDYKBJV-UHFFFAOYSA-N 413.911 5.454 0 1 HKAF Cc1ccc([C@H]2C[C@@H]3CC[C@@H]([C@H]2COC(c2ccccc2)c2ccccc2)N3C)cc1 100995344 PZCLLOMRKKUTII-PUHABZHSSA-N 411.589 6.368 0 1 HKAF C[C@@H]1[C@@H]2C3=CC(Br)=CC[C@@H]3[C@H](Cc3ccc(Br)cc32)N1C 102035209 BWBSBIOMYIQVMH-CDIQBZRPSA-N 409.165 5.016 0 1 HKAF Clc1cccc(N2[C@@H](c3ccccc3)[C@]23C(c2ccccc2)=Nc2ccccc23)c1 103276069 IZQXUWNXUUJNQS-WPVVHWIUSA-N 406.916 6.931 0 1 HKAF CC[C@@H](Nc1ccc(Cl)c(CN2CC(C(=O)O)C2)c1)c1cc(C)c(Cl)c(C)c1 118386231 GGOKHPBBDPDXLV-HXUWFJFHSA-N 421.368 5.690 0 1 HKAF COc1ccc(-c2c(S(=O)(=O)c3ccc(F)cc3)cnc3cc(F)ccc23)cc1 145349238 DBEPFTLHFIWRBM-UHFFFAOYSA-N 411.429 5.021 0 1 HKAF CCc1cc(-c2ccc(C(N)=O)c(N)c2)c2cccc(-c3cnc4ccccc4c3)c2n1 145543345 HYNJOWSERSUBLU-UHFFFAOYSA-N 418.500 5.361 0 1 HKAF CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@@]12O[C@@H]1C[C@@H](C)CN[C@@H]1[C@@H]2C 169293846 QASFUMOKHFSJGL-JPPVNSSKSA-N 411.630 5.002 0 1 HKAF O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cccc(F)c2)c(F)c1 205313440 YIMNHRRYAINJTD-UHFFFAOYSA-N 424.878 5.663 0 1 HKAF O=C(O)C1(Sc2ccnc3ccc(-c4ccc(C(F)(F)F)cc4)cc23)CCC1 220425796 MRYFCIHBFXBRCE-UHFFFAOYSA-N 403.425 6.020 0 1 HKAF CCCCC[C@H](C)[C@@H](C)c1cc(NC(C)=O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 221658370 GWAZHDZAZQUESD-CEXWTWQISA-N 411.630 7.710 0 1 HKAF CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc3[nH]ccc3c2)c(F)c1 224834951 NCIINDNMPKCXQC-UHFFFAOYSA-N 422.525 5.718 0 1 HKAF CC(C)c1ccc(C(=O)c2cc(O)c(-c3cc(Cl)cc(Cl)c3)c(O)c2)cc1 473108571 NQDJGUANMDXDMU-UHFFFAOYSA-N 401.289 6.426 0 1 HKAF CCCN(Cc1ccc(C(=O)O)cc1)C(=O)c1ccc(Oc2ccccc2F)cc1 584598367 SOSAKGSLKXKLFU-UHFFFAOYSA-N 407.441 5.369 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 586916224 LKYYUIPKWNELGY-BFUOFWGJSA-N 419.706 5.195 0 1 HKAF Cc1ccc(-n2cnnc2SCc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1Cl 586968940 ZIWSCGXCJNMOIQ-UHFFFAOYSA-N 423.851 5.417 0 1 HKAF Cc1ccc2c3c(c(Cc4ccccc4)c(C(F)(F)Cl)nc13)-c1ccccc1C2=O 586993697 POGWNZMJPRHXNC-UHFFFAOYSA-N 419.858 6.634 0 1 HKAF Clc1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cc1Cl 587001792 QPANQFNDCRTRSL-UHFFFAOYSA-N 422.109 6.364 0 1 HKAF Clc1cccc(COc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)c1 587069569 DALAEWHVZGCPKC-UHFFFAOYSA-N 414.690 5.620 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc5c(c4)[nH]c4ccccc45)nc13)-c1ccccc1C2=O 587096991 NFWXCGSEGKMUEU-UHFFFAOYSA-N 410.476 7.056 0 1 HKAF CCCC(=O)Nc1ccc(O)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587102875 ALCUOELVUNTAJC-UHFFFAOYSA-N 408.457 5.557 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc(Br)cnc3[nH]2)c1 587158047 ICWBVLIKSGFOBX-UHFFFAOYSA-N 412.262 5.126 0 1 HKAF CNc1cccc(-c2cccc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)c2)c1 587232872 DPUCJHFLGLNUNI-UHFFFAOYSA-N 405.501 6.518 0 1 HKAF COc1ccccc1Nc1ccccc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587241341 ULOBGIRRKMOVSI-UHFFFAOYSA-N 401.363 6.140 0 1 HKAF Cc1ccc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2c1 587349812 CSRCDQDDQXLBQH-XNMGPUDCSA-N 412.460 6.267 0 1 HKAF COc1cccc(-c2cc(-c3c[nH]c4c(C)cccc34)nc3c2oc2ccccc23)c1 587362381 GHICYTLTDDMDGK-UHFFFAOYSA-N 404.469 7.113 0 1 HKAF COc1cccc(-c2cc(-c3ccc4nc(O)oc4c3)nc3c2oc2ccccc23)c1 587363639 RTDGMMXUPXHCEK-UHFFFAOYSA-N 408.413 6.170 0 1 HKAF COc1cccc(-c2cc(-c3cnc(SC)nc3C)nc3c2oc2ccccc23)c1 587366019 QEGNIBSUFNIXBK-UHFFFAOYSA-N 413.502 6.144 0 1 HKAF CCOC(=O)CSCc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587367037 WYPNAOXDPIROPI-UHFFFAOYSA-N 407.491 5.453 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3cc(Cl)ccc3Cl)o1)O2 587377721 XVBRLMCYQSBDHA-HXUWFJFHSA-N 418.276 5.763 0 1 HKAF Cc1cccc(-c2nn(Cc3ccccc3)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587389426 AVRSFMURSYHSAQ-RUZDIDTESA-N 423.516 5.504 0 1 HKAF COc1ccc([C@]2(c3ccccc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587418034 GPOZCVKRAFUGRJ-NTKDMRAZSA-N 406.865 5.048 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1sc(-c4ccc(Cl)cc4)nc1C)[C@@H](C2)C3=O 587452698 SUZLFGYRDMSFTA-KSFYIVLOSA-N 411.910 5.443 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(F)(F)F)c(OCC)c1)CC2=O 587459583 DIZYBIHCTVAMLB-IBGZPJMESA-N 424.415 5.391 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Oc3ccc(Cl)cc3)cc1)CC2=O 587461344 KAZMNXWDZMJUMS-RUZDIDTESA-N 422.908 6.671 0 1 HKAF CC(C)(C)C(=O)Nc1ccnc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)oc12 587513363 RWIKOBWKTGGUBF-NRFANRHFSA-N 418.493 5.398 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2cccc(Cl)c2)no1 587550905 ZDMXJQZSSAIGIC-NFBKMPQASA-N 419.820 5.404 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1sccc1Oc1ccccc1 587615538 YBKZHMBWJTUWCO-OFNKIYASSA-N 416.454 5.949 0 1 HKAF COC(=O)C(=O)c1c(-c2c(Cl)ccc(F)c2Cl)[nH]c2c(C)cc(Cl)cc12 587624914 WPTDZJOCQRYMQJ-UHFFFAOYSA-N 414.647 5.598 0 1 HKAF CCOC(=O)c1c(-c2cc(F)cc(Br)c2)[nH]c2cc(Cl)c(F)cc12 587629259 HBBLGFVCQZGIHV-UHFFFAOYSA-N 414.633 5.706 0 1 HKAF COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1c(Cl)ccc(F)c1Cl 587629339 KZEWVZOXGFQUCL-UHFFFAOYSA-N 418.610 5.424 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cc(OC)ccc3OC)c2c1 587642831 WLJOUQNNRMINBS-GFCCVEGCSA-N 405.416 5.948 0 1 HKAF CCN(c1ccccc1C)c1c(Cc2ccccc2)[nH]c2ccc(S(C)(=O)=O)cc12 587650739 SIWVUFRHHHGVDN-UHFFFAOYSA-N 418.562 5.629 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCNc3cc(Cl)ccc32)N1 587692185 ATJSMUYTPHNRFH-JEOXALJRSA-N 409.730 5.225 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2OCC2CC2)N1 587731960 MHEQKDAPEAQJRM-PRWKNARSSA-N 408.286 5.140 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C\c2cn(C)c3ccccc23)N1 587754559 DWWLIUPJQQODGY-JVIKJZHMSA-N 413.334 5.543 0 1 HKAF CC[C@]1(c2ccc(OC(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797444 XBFNHBWBCAYADK-LHSJRXKWSA-N 406.339 5.563 0 1 HKAF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(C)C 587798262 ZBUQZDBXXDFICP-ODXCJYRJSA-N 408.311 5.008 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)-c2ccccc2C3)N1 587816189 VDJKJAINIVZXDX-LFPIHBKWSA-N 422.341 5.957 0 1 HKAF Cc1ccc(-c2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 587817266 BBBBHGWOLCDGEK-IQMFZBJNSA-N 410.330 6.187 0 1 HKAF COc1ccc2oc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C)c2c1 587828157 MPKPCBLMDRRUIA-MQJDWESPSA-N 418.306 5.449 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)NCCc1cccs1 587860745 AQJYYEYYRRPGJH-UHFFFAOYSA-N 410.326 5.118 0 1 HKAF COc1cccc(C2(c3nc4cc(Br)cc(Cl)c4[nH]3)CCCC2)c1 587931318 NUUNAKDQLLBMPP-UHFFFAOYSA-N 405.723 5.848 0 1 HKAF O=C(O)c1cc(Br)cc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c12 587962723 WQIXYLAKUASIML-UHFFFAOYSA-N 407.267 5.281 0 1 HKAF CC/C(=C\c1nc2cc(OCC(C)C)c(Br)cc2[nH]1)c1ccc(C)cc1 587967615 OYCVXGHKALAPFG-MHWRWJLKSA-N 413.359 6.619 0 1 HKAF CC(C)COc1cc2nc(/C=C/c3cccc4ccccc34)[nH]c2cc1Br 587970088 YMUAQNCUWLWFFD-ZHACJKMWSA-N 421.338 6.684 0 1 HKAF Cc1ccc(-c2nc3ccccn3c2[C@H]2NCCc3cc(-c4ccccc4)ccc32)cc1 962662896 MOZPVJKKHKTDOX-NDEPHWFRSA-N 415.540 6.212 0 1 HKAF Cc1ccc([C@]2(c3ccccc3F)c3ccsc3CCN2Cc2ccco2)nc1 962708008 MGYVPEAMACGRMA-DEOSSOPVSA-N 404.510 5.534 0 1 HKAF O=C([C@@H]1Cc2ccccc2[C@@]2(C=C(Cl)C[C@H](c3ccccc3)C2)N1)C(F)(F)F 962765747 NBMNREFKPJEDOR-NBHGPNQESA-N 405.847 5.228 0 1 HKAF COc1ccc([C@H]2c3ccc(F)cc3C[C@H]3CCCN23)cc1OCc1cccc(F)c1 963090267 ITYBGGZWOKHLAP-GJZUVCINSA-N 421.487 5.662 0 1 HKAF C[C@@]1(c2c(Cl)cc(C(F)(F)F)cc2Cl)c2c(F)cccc2C[C@H]2CCCN21 963098526 IFXJWMIVRVAOLX-YJYMSZOUSA-N 418.261 6.435 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]2(c1ccsc1)c1ccccc1C(F)(F)F 963112274 XGTQZWCQPQKNPT-PGRDOPGGSA-N 417.471 6.218 0 1 HKAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CCCc1ccccc1)c1ccc(F)cc1 963638772 UXLLJKVAFAVNHM-WINIVTDRSA-N 419.540 5.644 0 1 HKAF O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2n1CCCC(F)(F)F 1772648738 OBXVPQXCOGOHER-UHFFFAOYSA-N 404.476 5.682 0 1 HKAF Fc1ccc(-c2cn(CC3=C(Cl)c4ccc(-c5cccs5)nc4CC3)nn2)cc1 1857540997 KSEZKMYQBHASRC-UHFFFAOYSA-N 422.916 5.804 0 1 HKAF C1=CCN=C2C=CN(CCCCCN3C=CC(=NC1)c1ccccc13)c1ccccc12 1857742395 NRESQBMHTKQJJE-UHFFFAOYSA-N 408.549 5.373 0 1 HKAF O=C(O)c1[nH]c(-c2ccc(C3CCNCC3)cc2)cc1-c1ccc(C(F)(F)F)cc1 1911573263 KYCHFPRHUKYLEG-UHFFFAOYSA-N 414.427 5.533 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C(OCC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=CC3 2356418500 KWWIDBSRZVKILE-CSODHYAJSA-N 400.647 7.037 0 1 HKAF CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CCCC(C)(C)[C@@H]5C(=O)C[C@]43C)[C@]2(C)CC1 2356712085 OZFAGHUNGAZEMO-GMJGEIDKSA-N 424.713 8.377 0 1 HKAF C[C@@H]1CC[C@]2(C)[C@H](C)CCC(=O)[C@]23CC[C@@H]2[C@@H](c4c[nH]c5cccc(c45)C2(C)C)[C@@H]13 2356727335 FDTRWEJDZJUQIO-HFLOPDAGSA-N 403.610 6.991 0 1 HKAF CCOc1ccc(-c2nc3c(s2)CCc2onc(-c4ccc(OC)cc4)c2-3)cc1 12477715 VXRCASWHOSPOFB-UHFFFAOYSA-N 404.491 5.638 0 3 HKAF Cc1ccc(C)n1[C@H]1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccc(F)cc21 206028519 KSSYZVYSPRJOQL-HXUWFJFHSA-N 402.391 5.399 0 3 HKAF CCCCn1cc(C2CCN(Cc3ccc(OC)c(C(=O)O)c3)CC2)c2ccccc21 3819747 KCECOARVNICXJO-UHFFFAOYSA-N 420.553 5.528 0 1 HKAF C[C@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1)c1ccc(F)cc1 4208329 SCENWXDAMFQKAL-NQZBTDCJSA-N 412.848 5.041 0 1 HKAF O=C1c2c(O)cccc2C(C(=O)Cc2ccc(-c3ccccc3)cc2)c2cccc(O)c21 13862155 DHAYFOWCZQWXMF-UHFFFAOYSA-N 420.464 5.253 0 1 HKAF COc1ccc(C(=O)C[C@H](CC(=O)c2ccc(F)cc2)c2cccc(C(=O)O)c2)cc1 27637777 QBOAZRGVARYMMI-FQEVSTJZSA-N 420.436 5.162 0 1 HKAF CC(C)N(CCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1)C(C)C 38467949 QPTCSDKORSUWFG-UHFFFAOYSA-N 416.565 6.104 0 1 HKAF CNc1ccc(CNCc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)c2)cc1 45210259 BUDXDTRWVOLBAH-UHFFFAOYSA-N 424.573 6.290 0 1 HKAF O=C(NC1(c2ccccc2)CC(F)(F)C1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1 45254068 ZCDLSYXGSMDOJD-WOJBJXKFSA-N 422.475 5.666 0 1 HKAF CC1=C(c2nc3cccc(C)c3n2C)[C@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 45260873 JTRRROKWMFLJRJ-NRFANRHFSA-N 424.335 5.831 0 1 HKAF O=C(Nc1cccc(Oc2ccccc2)c1)N[C@H](CN1CCCC1)c1ccccc1 45323460 GZPORDABTPOBIY-XMMPIXPASA-N 401.510 5.438 0 1 HKAF Cc1ccccc1-c1ccc2nc(N)c(CCC(=O)NCC3CCCCC3)cc2c1 72178037 WHCBVAPBSFXPHD-UHFFFAOYSA-N 401.554 5.422 0 1 HKAF COc1cccc([C@H](C)NC(=O)c2cc(C)c(-c3ccc4[nH]nc(C)c4c3)s2)c1 73402389 UAQJVFADAYIBGC-AWEZNQCLSA-N 405.523 5.408 0 1 HKAF NC(=O)c1ccccc1Nc1cc(Oc2ccc3ccccc3c2)ncc1C(F)(F)F 73403410 BYRMCDKPXHCUKH-UHFFFAOYSA-N 423.394 5.888 0 1 HKAF C[C@@H]1C[C@@H](Nc2cncc(Oc3ccc(NCc4ccccc4)cc3)n2)CC(C)(C)C1 82068734 CLHNYUDXQVEADA-DENIHFKCSA-N 416.569 6.508 0 1 HKAF COCCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc(C)c2)n1 82167435 SWHJDKAKLVRVAT-UHFFFAOYSA-N 416.550 5.691 0 1 HKAF CCCc1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1C[C@@H](C)CC 82189409 QIMWMSXJBKCAOC-AWEZNQCLSA-N 420.388 5.786 0 1 HKAF CC(C)=CCN1c2cc(Br)ccc2[C@]2(CC=C(C)C)CCN(C)O[C@H]12 85763254 NWEUSXXVDOPMJX-SFTDATJTSA-N 405.380 5.423 0 1 HKAF CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1Br 95602907 IXFHPNFZIBFHOU-UHFFFAOYSA-N 418.766 6.236 0 1 HKAF Fc1cccc(CSc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)c1 96939341 LNXHFYCCNUPVPE-UHFFFAOYSA-N 422.633 7.699 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](F)[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 96940396 GSNCRWKKRVKOAS-CLZXISQTSA-N 422.669 6.387 0 1 HKAF Oc1ccc([C@@H]2N=C(N3N=C(c4ccccc4)C[C@@H]3c3c(F)cccc3F)S2)cc1 98082632 AJXXHHMPMWUKID-IFMALSPDSA-N 421.472 5.623 0 1 HKAF O=C(O)c1cc(C2CC2)cnc1Nc1c(F)cc(-c2cccc(OC3CC3)c2)cc1F 103277448 IBMBXRGWZNBNSI-UHFFFAOYSA-N 422.431 5.887 0 1 HKAF COC(=O)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3cc4c(cc32)OCO4)cc1 103656916 LNPOIFBEMQTTQL-NRFANRHFSA-N 405.450 5.052 0 1 HKAF CSc1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)cc1 103868136 XJBIHLSSPMGGOI-NIYFSFCBSA-N 412.558 7.038 0 1 HKAF C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5CCC[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 118913774 KPAQIOMLWLLNBY-XLVIIDFLSA-N 416.646 5.794 0 1 HKAF O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CN2Cc3ccccc3C2)cc1 141693247 KPXRTHNYFDRAGJ-UHFFFAOYSA-N 420.512 5.827 0 1 HKAF Cc1cc(Oc2ccccc2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1 149155013 XBQOKTQMDBDKED-UHFFFAOYSA-N 401.491 5.867 0 1 HKAF CCN(CC)CCCN1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 149830359 ZHJNAQNCUSKTRA-CZDWONBGSA-N 401.598 6.015 0 1 HKAF Cc1ccc2c(c1)S[C@@H](c1ccccc1)[C@@H]1C(=N2)c2ccccc2[C@@H]1c1ccccc1 169292008 KDQIDXUBKCXTBC-YCVJPRETSA-N 417.577 7.725 0 1 HKAF C[Si](C)(C)CCCCCCn1cc[n+](Cc2ccc(CC[Si](C)(C)C)cc2)c1 195487206 NTTMBJNFAMEVOL-UHFFFAOYSA-N 415.794 6.603 0 1 HKAF C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)C[C@](C)(CC(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 205206621 XITMKRWCQMSXKM-ACHLQBFNSA-N 402.619 6.496 0 1 HKAF CC(C)=CC[C@@H]1[C@H](C)[C@@H]2CC[C@@]3(C)[C@@]2(C)CC[C@@H]2[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@@]123 255285172 YTAQVWOWAXLMJN-UBFYNDLESA-N 410.730 9.054 0 1 HKAF CN1[C@H]2CC[C@H]1[C@H](c1cc(-c3ccc(Cl)cc3)no1)[C@@H](c1ccc(Cl)cc1)C2 261181969 WHFIJZLIDVACTG-JROBLHLSSA-N 413.348 6.382 0 1 HKAF C[C@H](NCc1ccccc1)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 299811959 HNPFUHUXZIRHMG-ZYEPFCSLSA-N 407.642 6.105 0 1 HKAF COc1cc2nc(C)c(-c3ccc(OCc4ccc(F)cc4)cc3)c(O)c2cc1Cl 299820634 HICUNSKXHPRXKP-UHFFFAOYSA-N 423.871 6.296 0 1 HKAF CC(C)c1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c(O)c(C(C)C)c1 586896810 QLEPPHXZZPBPHU-UHFFFAOYSA-N 407.739 6.598 0 1 HKAF CCCCc1cc(=O)oc2cc(OCc3nc4cc(Cl)c(F)c(F)c4[nH]3)ccc12 586918631 PEDMYGIGDQZONG-UHFFFAOYSA-N 418.827 5.523 0 1 HKAF CCOc1cc(/C=C\c2nc3ccc(C)c(C)c3[nH]2)cc(Br)c1OC 586978441 SBLVNJDFMUOBMQ-CLFYSBASSA-N 401.304 5.520 0 1 HKAF FC(F)(F)c1cc(Cl)c2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2c1 587032688 MXYGYMXSDTZVTE-UHFFFAOYSA-N 407.848 6.243 0 1 HKAF COC(=O)c1ccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2n1 587052065 XAGUVZBSEZAUMT-UHFFFAOYSA-N 413.864 5.885 0 1 HKAF COc1cc(Cl)ccc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587066780 ROCZBZMDXMOOFL-UHFFFAOYSA-N 421.600 5.553 0 1 HKAF Fc1cnc(Br)c2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc12 587123720 GHYICNIZKMTITJ-ZZXKWVIFSA-N 418.213 5.642 0 1 HKAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)C(F)(F)C1 587132128 KNUQBNXJXOXBBD-JTQLQIEISA-N 423.407 5.144 0 1 HKAF Fc1cc(Br)c(Cl)cc1-c1nc2c(F)cnc(Br)c2[nH]1 587136544 KBFDVLYOXHZIDB-UHFFFAOYSA-N 423.442 5.082 0 1 HKAF Cc1c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587165643 HLSCQDDPSVZOQC-UHFFFAOYSA-N 407.798 6.355 0 1 HKAF Fc1ccc2[nH]cc(Cc3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2c1 587175708 ZKZIWKURLPJUOI-UHFFFAOYSA-N 412.184 5.555 0 1 HKAF CSc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 587209998 ZWGDKMWORLVWAJ-UHFFFAOYSA-N 411.482 5.462 0 1 HKAF C[C@@H]1Cc2cc(Cl)ccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587331437 POXIEUSILHKVHB-IKGTYDGASA-N 408.856 5.631 0 1 HKAF CC(C)Sc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587369326 FXCVFQKNTCSONB-ZCYQVOJMSA-N 422.521 6.306 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1ccc(Cl)cc1Cl)CC2=O 587461418 KEDADDAJIMBWOJ-IBGZPJMESA-N 417.292 5.748 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cccc(C(F)(F)F)c3)o1)CC2=O 587464256 MKGRUJBMGDONKN-NRFANRHFSA-N 416.395 6.330 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(F)ccc(F)c21 587472016 OURRCXCNTVSJJO-RUZDIDTESA-N 420.411 5.076 0 1 HKAF O=C1C[C@@H](c2cc(Cl)c(Br)cc2F)Oc2c1ccc1c2CCCC1 587505423 MZKATTSFAOUUMA-SFHVURJKSA-N 409.682 5.827 0 1 HKAF C[C@@]1(c2ccc(Sc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587534510 ZNSOGQQJCAXNLX-SANMLTNESA-N 400.543 6.597 0 1 HKAF CC(C)c1cccc2c1OCCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607564 HYDGSFLXUFYKPX-GJZUVCINSA-N 416.473 5.545 0 1 HKAF Cc1ccc(-c2nc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cs2)cc1 587609399 BVQXAPMRQNGYKJ-NFBKMPQASA-N 415.470 5.527 0 1 HKAF C[C@H]1CCc2cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)sc2C1 587660902 JMBGYPGSROORHQ-AWEZNQCLSA-N 418.493 5.077 0 1 HKAF CC[C@]1(c2c(F)cccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587714698 BADQAWPYGIHZFE-YPMLDQLKSA-N 400.694 5.569 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(OC3CCC3)c2)N1 587715014 GVOBOPKOWYRUKV-BIBXISHDSA-N 408.286 5.282 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2Br)N1 587717328 FTQCETVNLCQCQC-ZKANADHPSA-N 417.091 5.113 0 1 HKAF CC[C@@]1(c2ccc(OC(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587791238 JPHNVDDKHXQOGY-SZNDQCEHSA-N 406.339 5.563 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccccc2)N1 587811714 OMDQWVVAWVMBAB-PEBXRYMYSA-N 412.302 6.004 0 1 HKAF Cc1cc(C(C)(C)C)cc(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587816247 VUHOPHJJBMTRQK-CMJOXMDJSA-N 418.394 6.300 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(/C=C/c3ccccc3)cc2)N1 587821226 TZNKOTFDSUEGQT-DWQGZLCUSA-N 422.341 6.382 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3cccs3)n2)N1 587852665 MQNULCGZRBQAAN-NSPYISDASA-N 403.320 5.335 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccsc3)s2)N1 587852754 ILPGRTIYAOPSFW-ABKXIKBNSA-N 409.349 5.397 0 1 HKAF Cc1cc2cc([C@@H]3NCC4(CCOCC4)c4cc(C(F)(F)F)ccc43)oc2cc1C 962954782 JXGNBZKBQBSEQQ-JOCHJYFZSA-N 415.455 5.809 0 1 HKAF Fc1ccc(C(OCCN2CCC(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1 1772590322 CVOHBVKHQQWXSG-UHFFFAOYSA-N 421.531 6.026 0 1 HKAF O=C1[C@@H]2C=CC=C[C@H]2[C@H](c2ccc(-c3ccccc3)cc2)N1c1ccc2nc[nH]c2c1 1772592518 VILUZFCZUPTEBL-PLXFJCCSSA-N 403.485 5.676 0 1 HKAF C[C@@H]1CC[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)OC1=O 2356404896 AFEXHFWTRVEKQA-MZJRBGRWSA-N 414.630 6.192 0 1 HKAF C[C@H]1CCC([C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)=NC1 2356548759 DWWGVLXWLZBQTA-JSRQJNDLSA-N 413.646 5.404 0 1 HKAF CC[C@@H](CO)Oc1cc(NCc2ccc(C(C)(C)C)cc2)c2ncn(C(C)C)c2c1 61948929 OXROQKXZJYKTMB-FQEVSTJZSA-N 409.574 5.677 0 3 HKAF O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2[nH]c(-c3ccccc3)nc2c1 606693 HVWVPJQXLNDOEK-UHFFFAOYSA-N 423.560 6.105 0 1 HKAF CCOc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCC1CCCCC1 2478120 OCXZQQQPYBGXFR-UHFFFAOYSA-N 422.500 5.857 0 1 HKAF CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F 4055541 SRCFPCRJEMXGOS-IEBWSBKVSA-N 409.288 5.141 0 1 HKAF O=C(N[C@H](Cc1ccccc1)c1ccc(O)cc1)C(c1ccccc1)c1ccccc1 13741245 CYLSAWUUFJEGFC-AREMUKBSSA-N 407.513 5.624 0 1 HKAF CN1CC[C@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3N(Cc3ccccc3)[C@H]12 13765009 UUQLGETXWSEMFB-AZGAKELHSA-N 413.521 5.237 0 1 HKAF CC(C)=CCC[C@@]12[C@@H](O)CC[C@@H](C)[C@]1(C)CC[C@]13C[C@H](Nc4ccccc41)C(=O)C[C@@H]23 14857099 IVSAQJKXNVGQKB-SLDDILADSA-N 421.625 6.021 0 1 HKAF Cc1c2c(cc3occc13)[C@]1(C)CCCC(C)(C)[C@@]1(O)[C@H](OC(=O)c1ccccc1)C2 14883762 IEHCQOHUOBIHHN-NPAAKHOSSA-N 418.533 5.722 0 1 HKAF biogenic CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc3[nH]cc(C(C)C)c3c2)c(Cl)c1 28350989 WSTUKPKFASCSPC-UHFFFAOYSA-N 414.889 5.547 0 1 HKAF O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NO[C@@H](c2ccc(F)cc2)C1 38174391 NFMMZKMQOLNCTC-OAQYLSRUSA-N 418.855 5.853 0 1 HKAF CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CCC4=C(C(=O)O[C@H]4C)[C@@]3(C)[C@@H](O)C[C@H]21 40879603 ZJHCKXNQASXDJG-CPNQSYKESA-N 414.630 6.048 0 1 HKAF CNCCNCc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1 45168240 JQTGGSUXUUVUNE-UHFFFAOYSA-N 424.470 5.225 0 1 HKAF Cc1cc(N(C)[C@@H]2CCN(CC3CCCCC3)C2)nc(Nc2ccc(Cl)cc2)n1 45193186 QHNJXCGDUFYMSH-OAQYLSRUSA-N 413.997 5.273 0 1 HKAF CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(C(C)C)cc4)ncc3c2)ccn1 73385919 CPKLHRAJPKHTPZ-UHFFFAOYSA-N 413.481 5.044 0 1 HKAF CCCCCn1c(-c2cccc(O)c2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82187856 KXZVOQXIOKPSOZ-GOSISDBHSA-N 415.541 5.605 0 1 HKAF O=C(N[C@H]1CC[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@@H]12)C1CCCCCC1 84670337 FJFGFPPRRGIJGE-TYPHKJRUSA-N 408.508 5.002 0 1 HKAF NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCCCC1 96174152 IHWLDWKJPPQBMW-UHFFFAOYSA-N 408.509 5.171 0 1 HKAF c1ccc2sc(Nc3ccc(Oc4ncncc4C4CCOCC4)cc3)nc2c1 139130126 KCNCJLQVFVCSGJ-UHFFFAOYSA-N 404.495 5.516 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)NCC[C@@]43C)[C@@H]1CC=C2n1cnc2ccccc21 169212938 VZRDAISNIFAWJP-BVGIUOQCSA-N 401.554 5.176 0 1 HKAF COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C)oc4ccccc34)c12 225373701 VRWRLXQGMJQOAT-UHFFFAOYSA-N 424.460 6.113 0 1 HKAF CCCCCCC(C)(C)/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)N[C@H](C)CO 231934488 ITLCTBDDFRBMKO-CRIMQSNNSA-N 417.678 7.045 0 1 HKAF C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2C 256408210 CIBAPVLFORANSS-OYXWFNEUSA-N 414.630 6.002 0 1 HKAF endogenous,in-man COc1cc(Cc2c(-c3ccccc3)[nH]c3ccc(Cl)cc23)cc(OC)c1OC 473102983 MWGGLRKYTPDHKC-UHFFFAOYSA-N 407.897 6.105 0 1 HKAF O=C1c2ccccc2-c2cc(/C=C/c3ccc(C(F)(F)F)cc3)nc3ccc(O)c1c23 586986860 PTFLXQACKHZPBV-JXMROGBWSA-N 417.386 6.341 0 1 HKAF Nc1nc(-c2cccc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c2)cs1 587021645 OQPZJLRFSHDCBM-UHFFFAOYSA-N 405.708 5.352 0 1 HKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(Br)c(O)c2[nH]1 587045048 ZJZHHLUXEUIGNP-UHFFFAOYSA-N 418.074 5.022 0 1 HKAF Fc1cc(Cl)cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c12 587082202 IHALTEJTXBSPTA-UHFFFAOYSA-N 408.263 6.891 0 1 HKAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(Br)cc(Cl)c2[nH]1 587109587 ZPJNQDVJYPKHJW-UHFFFAOYSA-N 419.584 5.363 0 1 HKAF CCCCCOc1cc2[nH]c(-c3cc(F)cnc3OC)nc2cc1Br 587176612 XQKIMXLIFUSDJS-UHFFFAOYSA-N 408.271 5.104 0 1 HKAF c1ccc(COc2cccc(-c3ccc(-c4cc5c6c(cccc6n4)CC5)cc3)c2)cc1 587214612 TYBWOOAUTVSCRQ-UHFFFAOYSA-N 413.520 7.246 0 1 HKAF CC[C@]1(c2cc(F)c(O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328050 ANAFRFZHJAGWOZ-NFBKMPQASA-N 414.379 5.180 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H](c3cccnc3)C2)[C@H]1c1ccc(F)cc1 587336184 JJQNTROEAACQIV-XPEQFSOGSA-N 403.453 5.382 0 1 HKAF C[C@]1(c2ccc3cc(O)ccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350013 GIMNFHGDOQJAPV-AOYPEHQESA-N 414.432 5.664 0 1 HKAF Cc1cccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587356709 RFIXBSYZDRPADM-XCZPVHLTSA-N 424.471 6.142 0 1 HKAF CC(C)(C)c1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357866 WASBINJHZUBKRK-ZEQKJWHPSA-N 404.481 6.103 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1OC[C@H]1CCCO1)CC2=O 587459066 BIIREZMALXECAY-IVZQSRNASA-N 416.901 5.262 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(Cc1cc(F)ccc1Br)CC2=O 587465835 HJYUOOXLMKLHSO-HXUWFJFHSA-N 407.279 5.213 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCCC(=O)O)(c1ccc(C(C)(C)C)cc1)CC2=O 587489045 MLCODNQIPGPLBC-AREMUKBSSA-N 424.537 5.758 0 1 HKAF CC(C)c1nn2ccccc2c1[C@@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587528463 ZNFRKDFXWMZYRU-SANMLTNESA-N 402.538 5.853 0 1 HKAF O=C1C[C@H](c2ccc(Sc3ccccc3Cl)nc2)Oc2c1ccc1c2CCCC1 587530653 CZPKUKUWFRXZTJ-OAQYLSRUSA-N 421.949 6.472 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ccc(Cl)cc2n1 587555242 ZLVPWIGINRRCDS-NZQKXSOJSA-N 403.821 5.297 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1COc1ccccc12 587606494 DHSGCYGKEOCNJR-IGKIAQTJSA-N 422.436 5.190 0 1 HKAF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 587625002 YMDKCAPFEOSAGP-UHFFFAOYSA-N 401.215 6.363 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]2c2ccc(Cl)cc2)N1 587697062 LGQSAAISOXWRSH-CBLJQSSYSA-N 408.742 5.939 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(C(F)(F)F)N1 587712159 ZSGVPUXRDUPNTA-ABKXIKBNSA-N 422.647 5.582 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(C(F)(F)F)c2)N1 587712160 JOKOANDZKOPRHJ-QGHHPUGFSA-N 402.229 5.405 0 1 HKAF Cc1cc(F)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587715508 HXRKTPHCDPWXHG-XTZNXHDOSA-N 400.694 5.487 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)(F)F)c(F)c2)N1 587721356 PKSTYONCRBHURA-ZKANADHPSA-N 422.191 5.250 0 1 HKAF C[C@H]1C[C@@H](C)CN([C@@H]2CCCC[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)C1 587763394 YILZUTNVBOPYKT-DEYIXWEOSA-N 423.414 5.238 0 1 HKAF Cc1cc(C)n(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)n1 587764776 QUVXMYUMFGKZSN-XUSGNXJCSA-N 414.322 5.014 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN([C@H](C)c3ccccc3)CC2)N1 587770648 SLLWBKFFYSRQRV-HZPDHXFCSA-N 417.366 5.175 0 1 HKAF CC[C@@]1(c2ccc(OCC(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792808 LMIHHMRSXRHCTE-NYHFZMIOSA-N 420.366 5.811 0 1 HKAF CCCCC[C@H](C(=O)OCC)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587798491 ONTGVOIGXHIQJG-WAWZGNHOSA-N 414.359 5.097 0 1 HKAF CC[C@@]1(C23CC4CC(CC(C4)C2)C3)N[C@@H](C)Cc2cc(Br)c(F)cc21 587816026 SLSQFTFSUDBTPS-SPNVETDYSA-N 406.383 5.944 0 1 HKAF Cc1ccc(-c2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 587820923 RJABSPKPTSHBMX-IQMFZBJNSA-N 410.330 6.187 0 1 HKAF CCCOc1ccccc1C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587862441 NZKBHDLJRVVGBO-UHFFFAOYSA-N 404.388 5.055 0 1 HKAF Oc1ccc(OCCc2ccccc2)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 587946051 RUGHUHXYQUNJEO-QFIPXVFZSA-N 405.469 5.770 0 1 HKAF COc1cc(-c2ccsc2-c2cccc(Br)c2)cc(OC)c1OC 653787457 ULXVIEDMHBUWEZ-UHFFFAOYSA-N 405.313 5.870 0 1 HKAF CC(C)(C)C[C@]1(c2ccc(Cl)cc2Cl)NCCc2cccc(-c3ccccc3)c21 962659878 AWFLMKXIISFHBT-AREMUKBSSA-N 424.415 7.486 0 1 HKAF CC(C)(C)c1[nH]c2c(F)cccc2c1[C@@H]1c2ccsc2CCN1Cc1cccnc1 963013147 QMKYNGKIZRLQMS-QHCPKHFHSA-N 419.569 6.209 0 1 HKAF CC(C)=CCCCCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C 1857599624 VQITZHFLYXLUAS-UHFFFAOYSA-N 420.483 5.443 0 1 HKAF Cc1noc(C)c1-c1ccc2c(c1)c(Nc1ccc(F)cc1)nn2[C@@H]1CCCCO1 1857612160 PZCLUXPNNLULQP-NRFANRHFSA-N 406.461 5.890 0 1 HKAF FC(F)(F)c1cccc(-c2nc3cc(Nc4ccc(C(F)(F)F)nc4)ncc3[nH]2)c1 1857762839 NLXXAIVMBVBGCU-UHFFFAOYSA-N 423.320 5.801 0 1 HKAF CCC=CCC=CCC=CCC=CCC=CCCCCCCCOC[C@@H](O)CO 2356800829 QHYUMWJDGQDOBJ-SANMLTNESA-N 404.635 6.448 0 1 HKAF O=C1C(=O)N(Cc2ccc(-c3ccsc3)cc2)c2ccc(OC(F)(F)F)cc21 45385148 RSEUVMGVNMLOCQ-UHFFFAOYSA-N 403.381 5.043 0 3 HKAF O=C(OCc1c(-c2ccccc2)ncc2ccccc12)c1ccccc1C(F)(F)F 61968965 CKIZZEFLFWBEQB-UHFFFAOYSA-N 407.391 6.278 0 3 HKAF Cc1cnc(-c2nc3ccccc3n2[C@H](C(=O)Nc2c(C)cccc2C)C2CC2)cn1 95600201 PQFIJBQFKRXCDO-QHCPKHFHSA-N 411.509 5.008 0 3 HKAF CCOc1ccccc1C(=O)Nc1ccc2c(c1)N(C)C(=O)c1ccccc1S2 8608022 XAKNDPNXVAJZOT-UHFFFAOYSA-N 404.491 5.079 0 1 HKAF Cc1ccc(Sc2ccc(C(=O)c3ccccc3C(=O)O)cc2[N+](=O)[O-])c(C)c1 13275608 VJOICZQUGWAWAE-UHFFFAOYSA-N 407.447 5.292 0 1 HKAF CCOc1ccc(C(=O)Oc2ccc3[nH]c(C(=O)c4cc5ccccc5[nH]4)cc3c2)cc1 13472563 NJXJDASJCPHGHC-UHFFFAOYSA-N 424.456 5.498 0 1 HKAF CN1CCC(c2ccc([C@H]3c4ccc(O)cc4CCN3c3ccc(F)cc3)cc2)CC1 13607726 CSCALARMRWAOKB-MHZLTWQESA-N 416.540 5.493 0 1 HKAF CN(C)CC[C@@H](OC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1 13684788 NBEAQJZBEVDDEU-HSZRJFAPSA-N 424.928 6.374 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2C(c3ccc(CO)c(CO)c3)=CCC[C@@]21C 27522321 GNXVXYXPAHRETQ-MUWNDDQRSA-N 400.603 5.458 0 1 HKAF Cc1cc(CCCCCOc2c(Cl)cc(-c3cccc(C)n3)cc2Cl)on1 27523300 WHXGVLAREOVVDI-UHFFFAOYSA-N 405.325 6.452 0 1 HKAF C[C@@H](CN1CCC1)N1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 29125808 MNJNLAIYCRRRFC-IBGZPJMESA-N 418.560 5.156 0 1 HKAF C[C@]12CC[C@H]3[C@H](CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 36350289 GIQHGRUKLUVHHK-PJCNSRAHSA-N 415.581 5.201 0 1 HKAF COC(=O)c1ccc([C@@H](NC(=O)c2ccccc2)[C@]2(C)C[C@H]2C2CCCCC2)cc1 38179224 ZKEQJRJSPBCJTL-PPJWLVRDSA-N 405.538 5.551 0 1 HKAF C[C@H]1CN(Cc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)s3)cc2)C[C@H](C)O1 45302245 DONJENJKKWNIDM-HOTGVXAUSA-N 421.541 5.707 0 1 HKAF Cc1cccc(CSc2nnc(-c3ccccc3COc3cccc(C)c3)o2)c1 64453425 IMGSKXCILUJSEH-UHFFFAOYSA-N 402.519 6.225 0 1 HKAF O=C(Nc1cc2ccccc2cn1)c1c[nH]c2cccc(SCc3ccncc3)c12 66098515 AOGHGMNVCUYRRD-UHFFFAOYSA-N 410.502 5.656 0 1 HKAF Fc1ccccc1CSc1nnc(-c2ccc3c(c2)OCCO3)n1-c1ccccc1 72116796 ORQGOQOBGREYTA-UHFFFAOYSA-N 419.481 5.137 0 1 HKAF Cc1ccc(CNc2ncc(C(=O)NCC3CCCCC3)c(-c3ccc(F)cc3)n2)o1 82136302 AWGCBFXPPCMKJY-UHFFFAOYSA-N 422.504 5.106 0 1 HKAF CCCCCn1c(-c2cccs2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187382 CPNWQDCWGHRUTF-UHFFFAOYSA-N 409.534 5.539 0 1 HKAF CCCCCCOC(=O)n1c2ccc(Cl)cc2c2ccc([C@@H](C)C(=O)O)cc21 95554459 VOSLAIRROFTPFG-CQSZACIVSA-N 401.890 6.201 0 1 HKAF O=C(CN1C(=O)C[C@@H](c2ccccc2)Sc2ccccc21)c1cccc(Cl)c1 95589046 RWVCJCCAGGIZTP-QFIPXVFZSA-N 407.922 5.793 0 1 HKAF CC(=O)OC[C@@H]1[C@@H]2CC[C@@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccccc2)cc1)C3 100950940 KUMJBZOBGCDDHP-YWIPSZDHSA-N 401.550 5.421 0 1 HKAF OC1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@@H](C1)N2Cc1coc2ccccc12 101185326 YQJSOEKFOQHZGK-IRXDYDNUSA-N 402.321 5.754 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc3[nH]ccc3c2)n1 141804285 IFPFXLXRRKNPTC-INIZCTEOSA-N 408.509 5.507 0 1 HKAF COc1cccc(F)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1csc(-c2ccc(C)cc2)n1 166819942 MOXOWSSMOJNDCO-BEFAXECRSA-N 410.514 5.376 0 1 HKAF c1ccc(C2=NN=C(c3ccccn3)[C@H]3[C@H]2[C@H]2C[C@@H]3[C@H]3[C@@H]4C[C@H](c5ccccc54)[C@H]23)nc1 195254036 QAEQEAQDVFBXJR-PAEXIIEPSA-N 416.528 5.083 0 1 HKAF O=c1oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc2c2c1CCCC2 222007656 IHQOPGPYTRMDJH-UHFFFAOYSA-N 417.549 5.005 0 1 HKAF COC(=O)/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]1(O)C(C)(C)CCC[C@@]1(C)O 238751285 GEKLHUINVVEIBY-DGJNVOCCSA-N 414.586 5.359 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@@H]3C(=CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@]43C)[C@@H]2C1 238771816 DHMXQDJRIWEARK-JBKBRQMLSA-N 410.686 7.987 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@H]1[C@H](O)C3 257485548 MPCLLXXLNXORCU-XSCYLNHYSA-N 402.663 6.504 0 1 HKAF endogenous,in-man COc1ccc(-c2nc(NCc3ccccc3OC)sc2Cc2ccccc2)cc1 299823413 FXTLHVXECRKXTD-UHFFFAOYSA-N 416.546 6.030 0 1 HKAF CCCCOc1cc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586885041 TYVHCALRNURMKO-BOLFOIPXSA-N 403.364 5.972 0 1 HKAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(Cl)cc(F)c3[nH]2)cc1 586947816 AAKFTKTXSHDANJ-UHFFFAOYSA-N 415.877 5.132 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2cc(OC)c(F)cc2[nH]1 586980833 AYKWNDNMQILWOG-UHFFFAOYSA-N 421.310 6.099 0 1 HKAF Fc1c(Cl)cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1F 586999255 WWDPOPRYSPBAOA-UPHRSURJSA-N 413.605 5.156 0 1 HKAF CCCc1sc(N)nc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587013167 JDWYSKPXSSQGHX-UHFFFAOYSA-N 423.380 5.409 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4c(Cl)ncc(Cl)c4[nH]3)cc2)n1 587020360 PEFXPZKETASWCF-UHFFFAOYSA-N 407.351 5.989 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc5c(cc4[nH]3)CCC(=O)N5)c21 587033360 TWKBBQMDPKMNNH-ZDUSSCGKSA-N 402.523 5.407 0 1 HKAF Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cncnc3[nH]2)cc1 587076466 MNTJGGVTDGODFX-RVDMUPIBSA-N 409.880 5.708 0 1 HKAF Cc1nc(C)c2c(C)c(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)sc2n1 587100858 AYPRDJOLXHINKD-UHFFFAOYSA-N 421.525 6.352 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H]3c1ccc(C(F)(F)F)cc1 587102572 ARQQZDRLMLLFID-INIZCTEOSA-N 415.414 6.543 0 1 HKAF O=C(O)c1ccc(-c2cc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)ccc2F)cc1F 587138425 IGCPAKMOSXNESA-UHFFFAOYSA-N 420.749 5.805 0 1 HKAF FC(F)(F)c1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cc1Cl 587230643 VWRDHKIVOIUIFJ-UHFFFAOYSA-N 402.807 5.909 0 1 HKAF Nc1cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c2ccccc2c1 587251321 CNIWERIFJWVHHZ-UHFFFAOYSA-N 422.204 5.626 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(C=COc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 587328256 IXSWQLWAWCSQNC-FYYLOGMGSA-N 408.812 5.345 0 1 HKAF C[C@]1(c2c[nH]c3cc(F)ccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332092 IQIONNQGKOTYPB-ISKFKSNPSA-N 405.400 5.426 0 1 HKAF Cc1cccc2c1OCCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355919 HDAPXGKSBDBFJD-RCZVLFRGSA-N 404.437 5.267 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]([C@H]2CCCN2C)CCC3)c1 587362595 HYVGYRMCPWKUGL-DENIHFKCSA-N 412.533 6.171 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)cccc1N1CCCCC1)O2 587377555 NMEWYEHAXIPVOZ-IBGZPJMESA-N 415.331 5.037 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(C(C)C)nn(-c4ccccc4)c1Cl)[C@@H](C2)C3=O 587420220 HRRVOZGCMXCGMZ-AOMKIAJQSA-N 408.885 5.146 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ncccc4C(F)(F)F)cc1)[C@@H](C2)C3=O 587420596 LDZBIGCYXZIBCQ-KSFYIVLOSA-N 411.379 5.265 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1C(F)(F)F)[C@@H](C2)C3=O 587423786 ZHHINNFBYNHQSP-WMZHIEFXSA-N 410.391 5.405 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(-c3cc(C)ccc3C)c1C)CC2=O 587474394 DFYDFRIDEFAYEN-RUZDIDTESA-N 404.510 5.336 0 1 HKAF Cc1cc(-c2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)ccc1F 587507673 RYDPULOWWHHGJL-HHHXNRCGSA-N 400.493 6.561 0 1 HKAF CC(C)C[C@@]1([C@H](C)NC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587510596 MBYDMDCJTUQERF-FYSMJZIKSA-N 401.547 5.229 0 1 HKAF Cc1nn(Cc2ccccc2Cl)c(C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510723 ZSIYQVWRAOKRDN-QHCPKHFHSA-N 420.940 5.787 0 1 HKAF COc1cc(C)c(Cl)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542970 KGPBMYBNIWMESO-CVDCTZTESA-N 410.853 5.374 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccccc2nc1Cl 587554986 ZALVMHDZAVKLPG-UGKGYDQZSA-N 403.821 5.297 0 1 HKAF Cc1ccc(OCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 587565655 OVZLVBJWVNOIQD-UHFFFAOYSA-N 401.182 5.111 0 1 HKAF Cc1cc(Cl)ccc1NC(=O)c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 587621898 OHNWCLBGIAUSND-UHFFFAOYSA-N 417.694 5.329 0 1 HKAF Cc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587675582 AFSXBFMADSXUJW-BMLIUANNSA-N 413.128 5.283 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2cccc(C(F)(F)F)c2)N1 587711572 HRRKNCCJWPYKDV-ADLMAVQZSA-N 416.256 5.599 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)cc2C(F)(F)F)N1 587714079 UOLOVJCCGCGNHZ-VPTHRUTESA-N 422.647 5.884 0 1 HKAF CCCOc1cccc(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 587778083 GVWQPPHUWUBFES-UHFFFAOYSA-N 413.237 5.724 0 1 HKAF Cc1cc2c(cc1C)[C@@]1(CCCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587836669 XDCGPICKYJQCFI-SPLOXXLWSA-N 404.323 5.155 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1oc2ccccc2c1C 587862225 INIPDBDVXKYXIV-UHFFFAOYSA-N 400.356 5.321 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1C[C@H]1c1ccc(C)cc1 587865507 AKCLFHOJCBBRBI-OALUTQOASA-N 414.427 5.720 0 1 HKAF COc1ccc(-c2ccc(-c3nc4c(C(F)(F)F)cc(F)cc4[nH]3)cc2)cc1OC 587929597 YAIFYSZMYKAVRC-UHFFFAOYSA-N 416.374 6.072 0 1 HKAF Cc1ccc(-c2cc(O)n(-c3ccc(Oc4ccc5c(c4)CCC5)c(F)c3)c2O)cc1 587945291 LGMNQMZNWHBDHJ-UHFFFAOYSA-N 415.464 6.284 0 1 HKAF COc1ccc(F)c(CNc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1Cl 653681044 RRKVBMPLIWSMAM-UHFFFAOYSA-N 414.893 5.475 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OCc3ccccc3)cc2F)N1 962949284 LEYNRBNYCKINIK-BVZFJXPGSA-N 400.497 5.900 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]21C=C(c2ccccc2Cl)Oc2ccccc21 963097865 NTEJYVBWZROHHH-SIBVEZHUSA-N 417.911 6.177 0 1 HKAF COc1cc(-c2nc(-c3ccnc(C)c3)c3n2C[C@@H](C)OCC3)ccc1C(C)(F)F 1772623932 GYQGANCCASNKIV-OAHLLOKOSA-N 413.468 5.002 0 1 HKAF COc1ccc(CC(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)cc1OC 1857549802 CGBUPYHLRMEPQZ-UHFFFAOYSA-N 422.868 5.347 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C 2356630464 SDNBTLXXEFTSQK-HXQTUQGYSA-N 418.706 6.685 0 1 HKAF CCCCC=CCCC=CCCCCCCCCCCCCCCCCCC(=O)O 2356721320 ANAILEXVGUZVRV-UHFFFAOYSA-N 420.722 9.786 0 1 HKAF CC[C@H](C=C(C)C)C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C=C[C@@]21C 2356733010 OFSJHZVDJCTSNW-GALOUQHOSA-N 412.702 7.801 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C 2356807527 XVKYNQLFVQLBRN-BZAAGQTGSA-N 418.662 5.474 0 1 HKAF CCC[C@@H](C)C(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3OC)n2)s1 8578697 IHGJLLZSWRNUSF-GFCCVEGCSA-N 416.572 5.702 0 3 HKAF aggregator O=C(NCCCCCCNC(=O)c1cccc2ccccc12)c1cccc2ccccc12 1620482 CXUPFLUEODCCSZ-UHFFFAOYSA-N 424.544 5.713 0 1 HKAF CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215771 JWXIQYLENFIWIA-MGKKLRQFSA-N 424.585 5.377 0 1 HKAF Cc1ccc(C)c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1 13610243 FLTOAJWVMNMXMX-UHFFFAOYSA-N 411.509 5.137 0 1 HKAF CC[C@@]1(c2ccc(COc3ccccc3)cc2)Oc2ccccc2-n2cccc2C1=O 13675327 VPJVIMRYVJNTLM-MHZLTWQESA-N 409.485 5.937 0 1 HKAF CN(C)CC[C@H](OC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1 13684792 NBEAQJZBEVDDEU-QHCPKHFHSA-N 424.928 6.374 0 1 HKAF Clc1ccccc1N1CCN(CCCn2c3ccccc3c3ccccc32)CC1 13801582 LRXQEJJAWAKGAJ-UHFFFAOYSA-N 403.957 5.660 0 1 HKAF O=C1N(CCCCCCCOc2ccc(C(F)(F)F)cc2)CCN1c1ccncc1 29400191 DTLRGNKRQQNLTO-UHFFFAOYSA-N 421.463 5.372 0 1 HKAF Cc1ccc2ccccc2c1[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1C(=O)O 33821993 SXRSZPDRYMXVDE-LJQANCHMSA-N 423.512 6.179 0 1 HKAF O=C(CCCC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)c1ncco1 35261443 NVXBUMRWDYXPSY-UHFFFAOYSA-N 404.510 5.732 0 1 HKAF CC(C)CCNC(=O)c1ccc2c(c1)N=C(c1ccccn1)c1ccccc1S2 40938160 YIJTUAAKYALJPU-UHFFFAOYSA-N 401.535 5.491 0 1 HKAF COc1ccc(C(=O)[C@@H]2c3ccccc3-c3ccccc3N2C(=O)c2ccco2)cc1 40976338 XGMHQEAZEDFHHU-DEOSSOPVSA-N 409.441 5.540 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(C)C 69482497 KZJWDPNRJALLNS-RBPJTRMESA-N 414.718 8.025 0 1 HKAF biogenic,in-vitro Nc1nccn2c(C3CCC3)nc(-c3ccc(C(=C(F)F)c4ccccc4)cc3)c12 96168125 JMTABRLRVPPVTI-UHFFFAOYSA-N 402.448 5.902 0 1 HKAF Cc1ncsc1NC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 117428755 WCOKQJDIGRRKGH-UHFFFAOYSA-N 407.421 5.177 0 1 HKAF CC[C@@H]1[C@@H]2CCCC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]2[C@@H]1O 141808362 WWEUNIQWUULFSV-GVWKVLGTSA-N 404.635 6.143 0 1 HKAF CCOc1ccc(CCNC(=O)c2cc3sccc3n2C(C)C)cc1OCC 169304236 NWOYCHFYAQVYFI-UHFFFAOYSA-N 400.544 5.054 0 1 HKAF O[C@H]1C[C@@]2(N3CCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@H](c1ccc(Cl)cc1)C2 253684861 RYCYJPVBNCYXDT-QOXFPCGXSA-N 416.392 5.870 0 1 HKAF Cc1cc(Br)cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586985387 VTBWEWKAVWOESC-UHFFFAOYSA-N 416.274 5.890 0 1 HKAF Cc1cc(Br)cc2nc(-c3nc(Br)ccc3Cl)[nH]c12 587005524 YAICWNXYBSBYDF-UHFFFAOYSA-N 401.489 5.112 0 1 HKAF Fc1c(Cl)cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2c1F 587048615 XTPNHAXTJOQHNQ-UHFFFAOYSA-N 409.650 7.135 0 1 HKAF Fc1cc(Cl)cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c12 587060224 GPKUJAKIUCMMMP-UHFFFAOYSA-N 408.263 6.891 0 1 HKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587070750 WHHFPFUSQNHWAF-OAHLLOKOSA-N 402.881 5.824 0 1 HKAF CCOc1ccc(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 587097834 OIFXTKCVYRVSNN-UHFFFAOYSA-N 423.468 5.447 0 1 HKAF FC(F)(F)c1cc(Oc2ccc(-c3nc4cnncc4[nH]3)cc2)cc(C(F)(F)F)c1 587109981 LFCDYCAAWBQVJQ-UHFFFAOYSA-N 424.304 5.850 0 1 HKAF C[C@@H](c1nc2cc3c(cc2[nH]1)OCCCO3)n1nc(C(F)F)c(Cl)c1C(F)F 587129882 NDAACEGLNWSNMD-ZETCQYMHSA-N 418.778 5.059 0 1 HKAF CCOc1cc(/C=C/c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)ccc1OC(F)F 587131387 ZLKTYIFDTPLERJ-FNORWQNLSA-N 422.815 5.173 0 1 HKAF Cc1cccc([C@@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587341007 WIYNHKBMVLFPJM-XOPPCCJWSA-N 417.480 5.169 0 1 HKAF CC[C@H](OC)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587345004 DKZBENJKWZATNG-GGBSJPMNSA-N 420.480 5.903 0 1 HKAF COc1cccc(-c2c(CC(=O)O)c(-c3ccc(C)cc3)nc3c2oc2ccccc23)c1 587365246 GBMFKTQVGUUDAY-UHFFFAOYSA-N 423.468 6.259 0 1 HKAF CSc1ccc2c(c1)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587374738 LEXJRHVXVZQGTC-UPVQGACJSA-N 406.478 5.454 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(C(C)C)nn(Cc4ccccc4)c1Cl)[C@@H](C2)C3=O 587419094 CKNKJICUDWURRC-SBUREZEXSA-N 422.912 5.206 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(F)(F)F)nn1C1CCCC1)CC2=O 587464052 HLGDSTFKZBPINY-SFHVURJKSA-N 408.420 5.382 0 1 HKAF O=C1C[C@H](c2cc(Br)c(F)c(F)c2O)Oc2c1ccc1c2CCCC1 587501232 ASLHTILZGFADKN-OAHLLOKOSA-N 409.226 5.018 0 1 HKAF CC(C)=CC[C@H]1C(=O)c2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587522649 GDNNXRRFDXFSHE-KDYSTLNUSA-N 414.501 5.164 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc(C(F)(F)F)c1 587546234 IOYBZWJCBFAMIJ-FXAWDEMLSA-N 420.770 5.767 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccccc2Cl)no1 587549300 RMFCMMUQCQCUED-REWPJTCUSA-N 419.820 5.404 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ccc2ccncc12 587549942 UAEWFQMIRZDXEE-OFNKIYASSA-N 403.821 5.297 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2cccc(Cl)c2)no1 587550910 ZDMXJQZSSAIGIC-REWPJTCUSA-N 419.820 5.404 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccsc2)cs1 587609871 ALDGCZYJRYDTGP-UGKGYDQZSA-N 406.484 5.885 0 1 HKAF Cc1nc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cs1 587615629 XIFBEVBHYGMBNL-DENIHFKCSA-N 421.499 5.589 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCCC(=O)Cc2ccc(F)cc2)N1 587729216 CIXRUDMTORXIAU-ZSEKCTLFSA-N 422.313 5.285 0 1 HKAF Cc1ccc(-n2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c(C)c1 587753472 JDELSLHCKZCUFC-OYHNWAKOSA-N 413.334 5.619 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(Br)c(C)c3[nH]2)c1 587780683 XVPJYZXELBSLDN-UHFFFAOYSA-N 407.311 6.367 0 1 HKAF CCOc1cccc2[nH]cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 587801058 CXJPCNSMFRMLGS-YBTHPKLGSA-N 403.295 5.092 0 1 HKAF CCOc1ccc(C(C)C)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587802640 STTZRRVZQWXUBN-LRTDBIEQSA-N 406.339 5.734 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2c(Cl)cccc2s1 587860740 AJPURSYFIBMMPG-UHFFFAOYSA-N 424.740 6.508 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1sccc1Cl 587867207 URJBJCMQYHIPIJ-UHFFFAOYSA-N 400.809 5.371 0 1 HKAF COc1ccc2cc([C@@H](C)c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)ccc2c1 587934322 JINBRKUOTXLXNF-LLVKDONJSA-N 421.369 5.926 0 1 HKAF CC[C@]1(Cc2nc3cc(F)cc(Br)c3[nH]2)CC(=O)c2ccccc2C1 587961681 SQTIHLFINYTZQT-HXUWFJFHSA-N 401.279 5.233 0 1 HKAF Cc1c(F)ccc2c1[C@H](c1cccn1-c1cc(Cl)c(Cl)cc1Cl)NCC2 962381242 XVFXELATJAKKIQ-FQEVSTJZSA-N 409.719 6.120 0 1 HKAF Cc1ccc([C@]2(c3ccc(Cl)c(Cl)c3)NCCc3c(C)ccnc32)cc1Cl 963071908 MBHZIPFHZUBZGS-JOCHJYFZSA-N 417.767 6.096 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1cccn1-c1cc(Cl)cc(Cl)c1 963115826 XPVNEBNTNUKWIW-GCJKJVERSA-N 401.312 6.033 0 1 HKAF Cc1cccnc1NC(=O)[C@@H](C)c1ccc(Nc2ccnc(C(F)(F)F)c2)cc1 1857745688 OIIKNDIDIVAIBV-AWEZNQCLSA-N 400.404 5.290 0 1 HKAF CC(C)=C[C@@H]1C[C@]2(C)[C@H](CC[C@]3(C)[C@@H]4C(=O)N5c6ccccc6[C@]5(O)C[C@H]4CC[C@@H]23)O1 2356339588 QJYILEDZEZVBBD-OCFZBVMCSA-N 421.581 5.155 0 1 HKAF CC(C)=CCCC(=CCCC(C)=CCC[C@]1(C)C=Cc2cc(O)cc(C)c2O1)C(=O)O 2356478055 QKXAGRZCXAYBQX-HHHXNRCGSA-N 424.581 7.129 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCc1c(C)n2c(O)nc3cccc(c1=O)c32 2356714593 CQZZUPSXBXLXRM-UHFFFAOYSA-N 404.554 6.261 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)CC3=CC[C@]12O 2356802367 SDGAIHVWQSMGOY-QPYUZPCUSA-N 416.690 6.750 0 1 HKAF Cc1ccc(F)c([C@H]2[C@@H]3C=CC[C@@H](c4ccccc4)[C@@H]3C(=O)N2Cc2ccccc2)c1 13661906 JKQUHEGFTUFCCP-AYFYORAVSA-N 411.520 6.194 0 3 HKAF Cc1ccc2nc(-c3cccc(Br)c3)c(Cc3cccc(Cl)c3)n2c1 72138209 PBRYFTNNYJPIDP-UHFFFAOYSA-N 411.730 6.316 0 3 HKAF COc1ccc(-c2noc(-c3ccc(F)cc3Cl)c2C(=O)N[C@@H](C)C(C)C)cc1 2480844 DTMFGTSAQKPXQE-ZDUSSCGKSA-N 416.880 5.584 0 1 HKAF CCc1cc(Nc2nc3ccc(C(=O)Nc4c(C)cc(C)cc4C)cc3s2)ncn1 13536610 KURQZBMEMRSQSY-UHFFFAOYSA-N 417.538 5.570 0 1 HKAF CCCC(CCC)N1CCc2cn(-c3ccc(OC)nc3OC)c3nc(C)cc1c23 13645747 DLBKNANKHOIPIU-UHFFFAOYSA-N 408.546 5.077 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2cccc(CN)c2)CCCC1 13736870 BFNAWEGHQOHLKN-UHFFFAOYSA-N 407.602 6.026 0 1 HKAF COc1cc(O)c(C)c(C/C=C(\C)C/C=C/C(C)=C/[C@H](C)[C@@H](O)/C(C)=C/C(C)C)n1 14656081 CHFFBNSQZJTFMA-BNUABWFSSA-N 413.602 6.085 0 1 HKAF O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1Cc1ccc2ccccc2c1 28241228 DJLHFAWVRFCKPO-XMMPIXPASA-N 410.904 5.894 0 1 HKAF CN(C(=O)c1ccco1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 28338687 BJNSLQHOLJZNSV-UHFFFAOYSA-N 402.538 5.038 0 1 HKAF CC(C)C(=O)N[C@H]1CCN(c2cccc3oc(CCCCc4ccccc4)cc23)C1 28386399 NMPUABCQTOQJFP-NRFANRHFSA-N 404.554 5.349 0 1 HKAF CCCCCCNc1cc[n+](-c2ccccc2)c2c(-c3ccccc3)cc(OC)cc12 29545012 GZODPIUSPYJDEQ-UHFFFAOYSA-O 411.569 6.784 0 1 HKAF S=C(Nc1ccc(Cl)cc1Cl)N1CCCC[C@H]1C12CC3CC(CC(C3)C1)C2 29549171 IBKYUBJBKZRZBU-KNBKFLTOSA-N 423.453 6.761 0 1 HKAF C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 33831775 DIFWJJFSELKWGA-SHKJGHCSSA-N 424.713 8.233 0 1 HKAF biogenic,in-vitro COc1ccc([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1OC1CCCC1 38427749 VWBNAXZKWSMVPT-INIZCTEOSA-N 419.443 5.556 0 1 HKAF COc1ccccc1-c1ccc(C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cc1 40411665 ZTVBNZAVVRLFTO-HSZRJFAPSA-N 401.506 5.184 0 1 HKAF CCn1c(Sc2ccccc2Cl)nc2cnc(Oc3c(F)cccc3F)nc21 40566987 GUGVOSORCSDGEM-UHFFFAOYSA-N 418.856 5.721 0 1 HKAF O[C@H](CNc1ccnc(Nc2ccc(Cl)cc2)n1)c1ccc(C(F)(F)F)cc1 45228041 VQJYONHILCLULH-MRXNPFEDSA-N 408.811 5.038 0 1 HKAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)[C@@H](N)C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 45300710 LMHKDOXVMXUVGN-BVINDDIJSA-N 417.634 5.129 0 1 HKAF Cc1cc(NC(=O)c2ccsc2)ccc1OC1CCN(Cc2ccc(F)cc2)CC1 45324539 QFXOJHBBZGWPPN-UHFFFAOYSA-N 424.541 5.491 0 1 HKAF Cc1ccccc1OCc1ccccc1-c1nnc(SCc2ccc(Cl)cc2)o1 64454037 IICGEQZLDAEXNS-UHFFFAOYSA-N 422.937 6.570 0 1 HKAF c1ccc2c(NCCCCCCCCCCN3CCOCC3)c3c(nc2c1)CCCC3 72113636 YEDTVNQWFBUMMP-UHFFFAOYSA-N 423.645 5.979 0 1 HKAF Clc1ccc(-c2nc(CN[C@@H]3CCN(Cc4ccccc4)C3)co2)c(Cl)c1 72181955 ZQVQGSMUZSYOIV-QGZVFWFLSA-N 402.325 5.013 0 1 HKAF c1cn(CCCCCCCCCCCCCCCCCCCCn2ccnc2)cn1 73165302 XIPDZGLJBGGEQZ-UHFFFAOYSA-N 414.682 7.802 0 1 HKAF CN(CCc1ccccn1)c1nc(Cc2ccccc2)nc2sc3c(c12)CCCC3 82091198 AHUIAGBNAAYJJN-UHFFFAOYSA-N 414.578 5.235 0 1 HKAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccccc2F)C1 82151474 LHRUUZRTFDZZHN-ZWKOTPCHSA-N 424.564 5.678 0 1 HKAF CCN(CC)C(=O)[C@H]1Sc2ccccc2-c2c1c1cc(F)ccc1n2CCF 96909207 QADKGESFRPHMRQ-NRFANRHFSA-N 400.494 5.432 0 1 HKAF CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc3ccccc23)C2=C(O)CCCC2=N1 104033410 WJDHIQCATFXWDG-XMMPIXPASA-N 401.506 6.134 0 1 HKAF Cn1c2ccccc2c2cc(CCOc3ncccc3-c3ccc(Cl)cc3)cnc21 169337410 SUODVAFFTJZMSH-UHFFFAOYSA-N 413.908 6.063 0 1 HKAF CCCCCC[C@@H](C)/C=C\C/C=C\C/C=C/C/C=C\CC[C@@H](C)C(=O)NCCF 231934537 RAMPXDRFGKYVNF-QSTNTYCFSA-N 405.642 7.490 0 1 HKAF CC(C)=CCC/C(=C\CC/C(C)=C/CC/C(C)=C/Cc1cc(C)cc(C)c1O)C(=O)O 238744486 FNLOAPUFYUFXNF-QODBUOSGSA-N 424.625 7.762 0 1 HKAF C[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(F)c(Br)c1 253993324 ZESNJJBGEWLRGV-LPNJYYIDSA-N 414.318 5.500 0 1 HKAF CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4C(=CC[C@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@]12C 255259959 PTWDXFXWKUNEOH-CXJLZJCISA-N 408.714 8.974 0 1 HKAF Cc1cc(Br)c2[nH]c(COc3ccc(Br)cc3C)nc2c1 586981033 JQPJZSNSIPXJRX-UHFFFAOYSA-N 410.109 5.284 0 1 HKAF FC(F)(F)c1c(Br)ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 587016822 OHHHOLLRMUNCPY-JTQLQIEISA-N 418.238 5.319 0 1 HKAF COc1cccc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c12 587038145 LMNIIUJKIFVWPO-UHFFFAOYSA-N 418.547 5.844 0 1 HKAF COc1cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2cc1Cl 587047497 JALJUBIUOTUVSO-UHFFFAOYSA-N 403.696 6.866 0 1 HKAF FC(F)(F)c1nc(Cl)[nH]c2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc1-2 587047989 DNQNRFNZXBPTIT-RITPCOANSA-N 407.610 5.555 0 1 HKAF CCCCOc1cc2nc([C@@H](O)c3ccccc3Cl)[nH]c2cc1Br 587058496 GVCJUIBLPPMYMC-KRWDZBQOSA-N 409.711 5.239 0 1 HKAF Cc1cc(-c2nc3c(C)c(F)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587059605 UFFWBNYMETWRFO-UHFFFAOYSA-N 419.891 5.741 0 1 HKAF Cc1c(Br)cnc2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc12 587062058 AWRNWVWRRQAJDX-UHFFFAOYSA-N 412.718 5.940 0 1 HKAF FC(F)(F)CSc1cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)ccn1 587091699 NMLRIKQYMBVFBT-UHFFFAOYSA-N 409.380 5.891 0 1 HKAF FC(F)(F)c1cc2nc(Cc3ccccc3C(F)(F)F)[nH]c2cc1Br 587106149 FXBYCROLLJADAA-UHFFFAOYSA-N 423.154 5.954 0 1 HKAF Cc1cc(F)c2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2c1 587119815 GNSXZSFTMVZMQI-UHFFFAOYSA-N 411.362 5.406 0 1 HKAF Cc1cccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 587153109 LNLBRVROOWJOCE-UHFFFAOYSA-N 415.497 5.550 0 1 HKAF O=C(Nc1cccc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1)c1ccc(F)cc1 587161966 AAGXUYXCEOBUNY-UHFFFAOYSA-N 400.335 5.035 0 1 HKAF FC(F)(F)c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 587183969 MLOUIPJYJBRMMD-QPJJXVBHSA-N 414.168 5.357 0 1 HKAF CC(C)C[C@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357873 WGXVHOOHNIYMGW-BDYUSTAISA-N 418.508 6.308 0 1 HKAF COc1cccc(-c2c(C)c(C(F)(F)C(F)(F)F)nc3c2oc2ccccc23)c1 587358416 AZMWUNFTKBMSAB-UHFFFAOYSA-N 407.338 6.619 0 1 HKAF CCc1nc2c(s1)-c1nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c1CC2 587365285 BZBWQGYNUVEAPD-UHFFFAOYSA-N 412.514 6.441 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(C)ccc(C)c2CC3)c1 587367887 ZXAHULFZKVSTFZ-UHFFFAOYSA-N 405.497 7.039 0 1 HKAF CC[C@@H]1S[C@H](C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H]1C 587373053 KTOXKUAWHPCPAY-QQTWKPSCSA-N 400.515 5.569 0 1 HKAF CCCCOc1ccc(Br)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587377485 MXUSVIOSWMIPAJ-LJQANCHMSA-N 404.304 5.225 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)O2 587382458 RNJFMPIZHBGKSG-JOCHJYFZSA-N 419.349 5.182 0 1 HKAF Cc1cccc(Oc2c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c3ccccc3n2C)c1 587392342 YWNGUFUMBQVQJQ-QHCPKHFHSA-N 412.489 5.876 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccc(-c4ccccc4)cc1)(c1cccnc1)[C@@H](C2)C3=O 587435671 IGYQTLQTXZYNGH-RBJSKKJNSA-N 419.480 5.448 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1Br)(C(C)C)CC2=O 587456411 OILASFVBOPUOQD-QFIPXVFZSA-N 417.343 5.710 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OCc3cccnc3)c1)CC2=O 587486146 ALKLFWOBHPGNNR-HSZRJFAPSA-N 419.477 5.034 0 1 HKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(F)ccc(F)c12 587510192 VLNKMQYTISKFMY-AREMUKBSSA-N 416.423 5.297 0 1 HKAF O=C1C[C@](c2ccccc2)([C@@H]2CCCC[C@@H]2C(=O)O)Oc2c1ccc1c2CCCC1 587529866 QZDPNBPNZTVZSI-HXAGEGRHSA-N 404.506 5.317 0 1 HKAF CSc1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 587533111 QZRVQUONLTZCBF-VWLOTQADSA-N 400.543 6.661 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cccc(Cl)c2n1 587552465 RPKGFOMMADYJCX-XXBNENTESA-N 403.821 5.297 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccn(-c2ccccc2F)c1 587568430 LTKJKCAMHXCJRN-XUZZJYLKSA-N 401.393 5.025 0 1 HKAF Cc1cccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)c1C 587587825 OMGMKTIZHUTQBZ-IGKIAQTJSA-N 423.468 5.774 0 1 HKAF Cc1onc(-c2ccccc2)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587862 QHHGDNRMWUGWJQ-OFVILXPXSA-N 413.429 5.233 0 1 HKAF Cc1cc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1C=O 587602374 JQZPRKULZOZHLK-RDGATRHJSA-N 402.446 5.007 0 1 HKAF Cc1cccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587602866 LNGHUABXVZNHNR-IGKIAQTJSA-N 408.453 5.606 0 1 HKAF O=C(O)CCc1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587621657 GRGJHJYNBHAWDN-UHFFFAOYSA-N 418.678 5.144 0 1 HKAF Fc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccc(Cl)cc2Cl)cc1 587630907 SQLCYASTJGRXCN-UHFFFAOYSA-N 408.662 7.740 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccc(C(F)(F)F)cc2)N1 587716266 UBXMFKKNXKCUON-ZAIXAGPMSA-N 414.240 5.896 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(F)c3)s2)N1 587728128 CVLCBPSUCUMHMH-PRWKNARSSA-N 420.322 6.079 0 1 HKAF Cc1cccc(-n2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1C 587751652 AIPFFVHBQLTWOZ-JLCFBVMHSA-N 413.334 5.619 0 1 HKAF CC(C)=CCC/C(C)=C/C=C\[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813442 CTQXUCCROWLHFD-NNTACKOGSA-N 406.383 6.587 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(Cl)cccc3s2)N1 587858437 QOLDPELQJNQYOB-LZVRBXCZSA-N 410.739 6.080 0 1 HKAF CCCCCOc1cc2nc(CCc3cccc(OC)c3)[nH]c2cc1Br 587930021 CCLLJHVHIXGHOT-UHFFFAOYSA-N 417.347 5.688 0 1 HKAF CCOc1cc(-n2c(O)cc(-c3ccc(C(C)C)cc3)c2O)c(Cl)cc1C(=O)O 587941656 RDQZSJOXXSSZLY-UHFFFAOYSA-N 415.873 5.429 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2nc(Cl)c[nH]c-2n1 587948459 CZOWRLXUXHTOFA-JKIFEVAISA-N 412.921 5.243 0 1 HKAF CC(C)(C)c1ccc(C(=O)COc2ccc3c(C(F)(F)F)cc(=O)oc3c2)cc1 653726550 KGXXICGRBALHBM-UHFFFAOYSA-N 404.384 5.371 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@H]1c1ccc(OC(F)F)c(OC2CCCC2)c1 963222774 CUKUALVHCYPGCM-MZNJEOGPSA-N 415.524 6.355 0 1 HKAF NC(=O)c1ccc(Oc2ccc(CN3CCC[C@@H]3c3cccnc3)cc2)c2ccccc12 1772577149 VGAWXDFDRQDKRY-RUZDIDTESA-N 423.516 5.463 0 1 HKAF CCN(CC)CCC[C@H](C)N=c1[nH]c(/C=C/c2ccc(F)cc2)nc2ccccc12 1857554268 IASCLLHWLHRCKL-FLXZHSAZSA-N 406.549 5.284 0 1 HKAF CCOC(=O)c1sc(-c2ccccc2)cc1Nc1cc(OC)c(OC)c(OC)c1 1857771934 MRWQTBQGJWBENJ-UHFFFAOYSA-N 413.495 5.361 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356435252 WEQPLVIAFBLKRQ-RINHGFAFSA-N 416.690 6.894 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356492709 ARYTXMNEANMLMU-XNMKRGEFSA-N 402.707 7.715 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@H]1CC3)C(C)C 2356536892 UEZKFNIGXFVXCX-VZTMBPGCSA-N 412.702 8.089 0 1 HKAF CCCC[C@H](C)C=CC=C(C)[C@@H]1OC(=O)[C@H](C=C(C)C=C[C@H](O)[C@@H](C)C(C)=O)[C@@H]1C 2356674999 BRWLVJDGMFALOU-LPTKTAFPSA-N 416.602 5.581 0 1 HKAF CC[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356797305 NTXTZXKLSHAMPH-FSKIWGTLSA-N 416.646 5.250 0 1 HKAF O=C(NCCOc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1ccccc1 2481246 IPXYKERGUZUFJM-UHFFFAOYSA-N 418.880 5.471 0 1 HKAF CCCCN(CCCC)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12 13583159 BCRRIHHZEFPOBR-UHFFFAOYSA-N 408.594 5.189 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 15449235 GMBQZIIUCVWOCD-BHKLALJJSA-N 416.646 5.794 0 1 HKAF Cc1ccccc1-c1ccc2c(c1)SCc1c-2nc2ccc(F)cc2c1C(=O)O 26838657 MPMVDRFOTJRFTF-UHFFFAOYSA-N 401.462 6.320 0 1 HKAF Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCC(=O)N1CCCCC1 27433859 QQHSBEMCSXWUEZ-UHFFFAOYSA-N 411.596 5.268 0 1 HKAF c1ccc(C(c2ccccc2)c2c(OCCN3CCCCC3)ccc3ccccc23)cc1 28955476 LATQHZOZVCEMHS-UHFFFAOYSA-N 421.584 6.885 0 1 HKAF CCN(c1cccc2ccccc12)[C@@H]1CCCc2nc(-c3ccsc3)cc(OC)c21 29053407 OSNIJNJHNMGELQ-XMMPIXPASA-N 414.574 6.876 0 1 HKAF O=C(Nc1ccc(C(=O)O)c(Nc2cccc(C(F)(F)F)c2)c1)c1ccccc1 29133662 SDHGFCAZMDTMEG-UHFFFAOYSA-N 400.356 5.400 0 1 HKAF COC(=O)Cc1ccc(OCc2cc(-c3cccc(OC)c3)c3ncccc3c2)cc1 58583436 DOKUUHZWXPIFPB-UHFFFAOYSA-N 413.473 5.205 0 1 HKAF CC(C)=CC[C@@H]1Cc2c(cc(O)c3c2O[C@@H](c2ccc(O)cc2O)CC3=O)OC1(C)C 59777484 CYGYKDZFDJECKM-SPLOXXLWSA-N 424.493 5.196 0 1 HKAF biogenic Cc1nc(-c2cnc(NCCc3ccccc3F)nc2-c2ccc(F)cc2)sc1C 82164833 XTIYVZOBBAEILQ-UHFFFAOYSA-N 422.504 5.817 0 1 HKAF CC[C@H](C)Cn1c(C[C@H](C)c2ccccc2)nc2c(NCc3cccs3)ncnc21 82178869 UFACMQZYMURERQ-ROUUACIJSA-N 419.598 5.892 0 1 HKAF CC[C@@](C)(C/C=C1/C[C@](CO)(COC(=O)C[C@@](C)(CC)C(C)C)OC1=O)C(C)C 87723368 CPXHOALOZNWMML-VQAJPJQOSA-N 410.595 5.059 0 1 HKAF Cc1cccc2cc([C@H](C)Nc3ncnc4ccccc34)n(-c3ccccc3)c(=O)c12 88346161 RULMFBNFMMHRPM-SFHVURJKSA-N 406.489 5.415 0 1 HKAF C/C(=C\CC/C=C(\C)CC[C@H](O)C(C)(C)O)CC/C=C(\C)CC[C@@H](O)C(C)(C)O 95486034 FEBMZCYYLLUVSK-IOWNHJGESA-N 410.639 5.210 0 1 HKAF biogenic,in-vitro Cc1cnc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1-c1ccncc1 98065452 JJVPSWKDHGPFEL-UHFFFAOYSA-N 409.493 5.460 0 1 HKAF CCC1=C(Sc2ccccc2)[C@H](COCc2ccc(Cl)cc2)C(=S)NC1=O 102816688 VZXDXVCZWNOGIR-SFHVURJKSA-N 417.983 5.386 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccccc1-c1ccccc1 103270597 ZWOQLGWLYDNBKG-QFIPXVFZSA-N 401.506 5.625 0 1 HKAF CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(O)cc2)C2=C(O)CC(C)(C)CC2=N1 103993663 SGKBKCPEGRAPBR-QHCPKHFHSA-N 417.505 5.580 0 1 HKAF Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C)ccc4[nH]ncc34)cc(C)c2C1 146964036 JMJCCEXIFUOKLB-UHFFFAOYSA-N 410.565 6.236 0 1 HKAF O[C@@H](CNC1CCCC1)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12 169334675 CDEOWMZUBBIQSQ-NRFANRHFSA-N 401.337 5.774 0 1 HKAF CC(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 205185424 ZCGQXKHIMLRISN-HCYOZZGASA-N 402.619 5.148 0 1 HKAF CC1=C(O)/C(=C\[C@@H](C)CCC/C=C(/C)CCc2coc(Cc3ccoc3)c2)OC1=O 238780524 AXEKDYZDPHMMNX-MFCZDONOSA-N 410.510 6.421 0 1 HKAF CCCC(Br)(CCC)c1nc2cc(Br)c(C)c(C)c2[nH]1 586971246 PUDQCSVSSGQSSK-UHFFFAOYSA-N 402.174 6.133 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(Cl)cnc4C(=O)O)nc13)-c1ccccc1C2=O 586994373 ZHWIOHTWKINXSM-UHFFFAOYSA-N 400.821 5.168 0 1 HKAF Fc1cc(Br)c2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c1 587017328 JONYVIDKLPXMDP-UHFFFAOYSA-N 416.275 5.190 0 1 HKAF c1ccc(-c2scnc2-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 587028045 NIILXQNOJNUKLY-UHFFFAOYSA-N 410.527 6.630 0 1 HKAF Cc1cnc(Cl)c2[nH]c(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)nc12 587051956 HBRTUUKCAWIMKO-UHFFFAOYSA-N 419.699 5.104 0 1 HKAF COc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c(Cl)c2)c1 587052411 SCFGPDIXWJUJRC-UHFFFAOYSA-N 403.791 5.973 0 1 HKAF O=C(O)c1cc(F)cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 587071715 PGWDBPGLPAYLLK-UHFFFAOYSA-N 402.212 5.436 0 1 HKAF Fc1cc(C(F)(F)F)c2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2c1 587082621 UIFCYRVSZYCQBL-UHFFFAOYSA-N 410.758 5.274 0 1 HKAF Fc1cc(Br)c2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc2c1 587091135 FQNYYLLPHPNFSJ-UHFFFAOYSA-N 406.202 5.181 0 1 HKAF FC(F)(F)Sc1ccc(/C=C\c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 587125842 UHIOVDJYNWGRLQ-UTCJRWHESA-N 422.781 7.017 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(C(F)(F)F)cnc3[nH]2)c(Cl)c1 587158089 DPKNGLVOQNPDTH-QGZVFWFLSA-N 421.781 5.938 0 1 HKAF Fc1cc(C(F)(F)F)c2[nH]c(-c3cc(I)ccc3F)nc2c1 587182363 IQHBPDUKZYKJTF-UHFFFAOYSA-N 424.110 5.132 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@H]2Cn2ccnc2)[C@H]1c1ccc(F)cc1 587342323 MYXGSPAGFQKBGW-WYRQLCSISA-N 420.484 5.106 0 1 HKAF CC(C)Oc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587345412 FHZUNYVWURKWPJ-UKILVPOCSA-N 406.453 5.593 0 1 HKAF Cc1cc(C)c2c(c1)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352631 NDNPDTKSLZESJM-AOYPEHQESA-N 402.465 5.739 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Oc3ccc(F)cc3)n(C)c3ccccc13)O2 587384047 JJGJBTADQBBTOV-QFIPXVFZSA-N 416.452 5.707 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](c3ccc(C(F)(F)F)cc3)C1)CC2=O 587464929 ZHLIGFCRDFFLOV-IVZQSRNASA-N 404.428 6.035 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Oc3ccccc3F)cc1)CC2=O 587466201 JHJHAZLENGOAFS-VWLOTQADSA-N 406.453 6.157 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(=O)OCC)cc3)o1)CC2=O 587481919 NMAGIQXOXSKAJE-QHCPKHFHSA-N 420.461 5.488 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1Cc1ccc([C@@H](C)C(=O)O)cc1)CC2=O 587492697 YBOCGXWPDLBYDQ-ROGNIZAZSA-N 422.521 5.280 0 1 HKAF O=C1C[C@@](c2ccc(F)cc2)([C@H]2CCC[C@@H](C(=O)O)C2)Oc2c1ccc1c2CCCC1 587507145 UMLRQFYFBDGPAL-QKSGUBBWSA-N 422.496 5.456 0 1 HKAF O=C1C[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)c2)Oc2c1ccc1c2CCCC1 587509174 QRQIAPXJUNPPDR-DEOSSOPVSA-N 422.446 6.958 0 1 HKAF COc1ccc(Cn2nc(C)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 587514613 HONUYUHMISRYEG-DEOSSOPVSA-N 416.521 5.142 0 1 HKAF C[C@H](C(=O)O)n1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587516490 ULEOMFDNTKCALO-BZQUYTCOSA-N 403.478 5.046 0 1 HKAF O=C1C[C@]2(CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)Oc2c1ccc1c2CCCC1 587518466 IRSRPWVRMVYACP-VHFRWLAGSA-N 401.550 5.202 0 1 HKAF Cc1ccc2nc(-n3cccc3[C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)sc2c1 587538651 QYAZUECQZYBWSM-JOCHJYFZSA-N 414.530 5.981 0 1 HKAF Cc1c(Cl)ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[nH]c12 587544547 FCGDIRSUJFYJPN-CVDCTZTESA-N 405.837 5.538 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(F)cc2F)o1 587566650 AIBAFBWGUVJIEJ-URXFXBBRSA-N 420.367 5.633 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cccc(F)c1 587572058 QYLDWXTTWJWDNV-URXFXBBRSA-N 401.393 5.025 0 1 HKAF CCCCCCc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587603832 RWIQAHDKWPCSQT-IGKIAQTJSA-N 416.517 6.392 0 1 HKAF C[C@]1(c2nc(-c3ccccc3)cs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610214 FIWVSGXIHYTVOD-RDPSFJRHSA-N 415.470 5.393 0 1 HKAF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)Oc1c(Cl)cc(Cl)cc1Cl 587623624 KGQGEIRJKNQLDB-UHFFFAOYSA-N 403.092 6.618 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccc(Cl)cc1Cl 587625077 AJQMAMBTYPPEBD-UHFFFAOYSA-N 412.160 7.488 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)c(Cl)c2)N1 587693857 KIBJSKTYPKXQTA-HUTHGQBESA-N 403.122 5.693 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2cc(Cl)ccc2Cl)N1 587695819 SFFYWBXXTYKOBL-XTZNXHDOSA-N 417.149 5.887 0 1 HKAF Cc1cc2c(c(C)c1Cl)[C@@]1(CCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587700041 UGIAOEGDMWHRNV-YBTHPKLGSA-N 424.741 5.419 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2CCC(F)(F)F)N1 587708776 DMPQLBPRZJAWOX-VOJFVSQTSA-N 416.256 5.707 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(C(F)(F)F)ccc32)N1 587709832 BDZCOFDEHSGKRM-MGNBDDOMSA-N 414.240 5.331 0 1 HKAF CCOc1ccc([C@]2(C3CC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587799066 ACJQDAHUVZEQBX-ASSNKEHSSA-N 404.323 5.175 0 1 HKAF CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1c(N)cccc1Br 587936953 LXGIHDQFDPIMTK-UHFFFAOYSA-N 415.331 5.296 0 1 HKAF O=N[C@H](COc1cc(F)cc(F)c1)n1c(-c2ccccc2)ccc1-c1ccccc1 587945834 RJDRPRSLDIAGFL-DEOSSOPVSA-N 404.416 6.444 0 1 HKAF CCc1ccc2nc(Cl)c([C@@H]3c4cc(OC)c(OC)cc4C[C@H](C)N3C)cc2c1 962619816 GOWOFZLJVSUVPT-PSLXWICFSA-N 410.945 5.434 0 1 HKAF CCOC(=O)[C@H](CC)[C@@]1(c2cccc(C)c2)NCCc2cccc(-c3ccccc3)c21 962664762 KLVSVBHKHUNRJG-LBNVMWSVSA-N 413.561 5.641 0 1 HKAF CC(C)(C)c1[nH]c2c(F)cc(F)cc2c1[C@@H]1NCCc2cc(-c3ccccc3)ccc21 962672373 YBJCSEKTWCDLPR-RUZDIDTESA-N 416.515 6.646 0 1 HKAF CC(=O)[C@@]1(c2cccc(C(F)(F)F)c2)c2ccsc2CCN1Cc1ccco1 962707257 IGBNZBICCUATSU-HXUWFJFHSA-N 405.441 5.251 0 1 HKAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@]21CC=C(c2ccc(Cl)cc2)CC1 962716776 VZKZOTSHLKUBCU-RDPSFJRHSA-N 413.989 6.306 0 1 HKAF C[C@H](c1cccc(Cl)c1)[C@H]1NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962952558 IWMZNDGKIAUUDT-JLTOFOAXSA-N 409.879 5.855 0 1 HKAF CSC(=C[C@@]1(c2ccccc2C)NCCc2c(Cl)cc(Cl)cc21)SC 963108324 NRNRZGCOKPEUAZ-FQEVSTJZSA-N 410.435 6.259 0 1 HKAF COc1cccc(-c2nc(Nc3cccc(Br)c3)c3cccnc3n2)c1 1772610825 YJOGXNYTXVVLPR-UHFFFAOYSA-N 407.271 5.207 0 1 HKAF COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCN(Cc3ccccc3Cl)CC1)C2 1772613993 RHZKAWSSJKSGEO-IBGZPJMESA-N 413.945 5.015 0 1 HKAF N=c1[nH]c(-c2cccc(C(F)(F)F)c2)c(C(=O)c2c(F)cccc2Cl)s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c1ccc(NC(=O)O[C@H]2C=C[C@H](c3c(C)nn(-c4ccccc4)c3C)C2)cc1 2356568413 AVRJSRBYUGYYNK-AVRDEDQJSA-N 403.482 5.159 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@](C)(CCC(C)=CC(=O)O)[C@@H]2CCC=C(C)[C@@]21C 2356776502 XEAOZVIWAIPENF-CLCBZUSPSA-N 402.575 6.084 0 1 HKAF CCc1ccc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2ccoc2)cc1 774839 RPHAIRXHWWLAOK-UHFFFAOYSA-N 420.896 5.790 0 1 HKAF COc1ccc2[nH]cc(CCNc3ncnc4ccc(-c5c(C)noc5C)cc34)c2c1 4264956 KJYBPECHSKYADV-UHFFFAOYSA-N 413.481 5.046 0 1 HKAF CCCCCCc1ccc(O)cc1OCCCCCCCCCCC(=O)NCCO 13676054 HOPYBJSZIHJCOZ-UHFFFAOYSA-N 421.622 5.513 0 1 HKAF O=C(O)COc1cccc(CCc2nc(-c3cccs3)c(-c3cccs3)o2)c1 13727454 LHYFGDZLXRDWTB-UHFFFAOYSA-N 411.504 5.380 0 1 HKAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C([P@@H](=O)O)CC[C@]4(C)[C@H]3CC[C@]12C 13889324 KJKOZLCYQNBBEX-ZEQQQVMLSA-N 419.546 5.441 0 1 HKAF CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(-c4ccccc4)ccc23)C1(C)C 14975882 YMSCAKAZSHMHCT-UHFFFAOYSA-N 415.577 6.600 0 1 HKAF Nc1nccn2c(C3CCC3)nc(-c3cccc(OCc4cc(F)cc(F)c4)c3)c12 28885485 JMHWRLWGKQRAPO-UHFFFAOYSA-N 406.436 5.103 0 1 HKAF COC(=O)c1ccc(Cl)cc1-c1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@H]2O 29471733 INIOGALKWPKDIK-GAJHUEQPSA-N 408.881 5.078 0 1 HKAF CCCCC[C@H](CC)COC(=O)c1ccccc1C(=O)OC[C@H](CC)CCCCC 33605767 SGKJLUZIKNCQOM-SZPZYZBQSA-N 418.618 7.213 0 1 HKAF biogenic O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2nc(N3CCCC3)ccc2c1 34323602 MVQARQYRYGFFIV-UHFFFAOYSA-N 413.443 5.425 0 1 HKAF CC(=O)O[C@H]1[C@H](OC(C)=O)/C(C(C)C)=C\C=C(/C)CC/C=C(\C)CC[C@@H]2O[C@]21C 40818599 SLZFGKPBZNIZNQ-PYUQHKKDSA-N 404.547 5.056 0 1 HKAF O=C1/C(=C/c2cccc(Cl)c2)c2ccccc2N1c1c(Cl)cccc1Cl 42878857 KTLYEUMAYKMFOE-FOWTUZBSSA-N 400.692 6.866 0 1 HKAF NCCCOc1ccc(CNc2nc3ccc(Oc4ccccc4)cc3s2)cc1 43017358 FDWQUIRYUSZBIN-UHFFFAOYSA-N 405.523 5.428 0 1 HKAF C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 43060637 RFAXDYWZHZWHAW-HXUWFJFHSA-N 420.578 5.181 0 1 HKAF CCOC(=O)[C@H](C)CCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1 59029402 JIZHOPJSMAYQIB-HXUWFJFHSA-N 404.554 6.285 0 1 HKAF CCCCc1ccc(C2=Nc3ccccc3N[C@](C)(c3ccc(CCCC)cc3)C2)cc1 68587664 GZIWXQCGQXUYPA-PMERELPUSA-N 424.632 8.224 0 1 HKAF biogenic Cc1ccc(NN2C(=O)O[C@](C)(c3ccc(Oc4ccccc4)cc3)C2=O)c(C)c1 72106759 KRKGDZRDTZQMKI-XMMPIXPASA-N 402.450 5.317 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)C(C)(C)CCC1 72110292 ABLHXYIGRFMVBV-XHOQVGDRSA-N 421.669 7.557 0 1 HKAF CCN(CC)CCNCc1nccc2c3ccccc3n(CCCc3ccccc3)c12 72119024 YLWKEKYXIFBRQD-UHFFFAOYSA-N 414.597 5.254 0 1 HKAF Cc1ccc(CNc2ncc(C(=O)NCC3CCCCC3)c(-c3ccccc3F)n2)o1 82150444 QRRDUPUXTVBJNZ-UHFFFAOYSA-N 422.504 5.106 0 1 HKAF Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@H]1CC(c1ccncc1)C2 100091277 XDUKMBHKWSHCDI-PMACEKPBSA-N 423.387 6.888 0 1 HKAF O=c1cc(N2CCCCC2)oc2c(-c3ccnc(-c4ccc5cc[nH]c5c4)c3)cccc12 101171721 DTDQNGGFAPBKTF-UHFFFAOYSA-N 421.500 5.994 0 1 HKAF OC1(c2ccc(Br)cc2)C[C@H]2CC[C@H](C1)N2Cc1coc2ccccc12 101185412 QLWQFJPPXAYVOM-RTBURBONSA-N 412.327 5.210 0 1 HKAF O=C(c1ccccc1)N1c2ccccc2N=C2CCCC(O)=C2[C@@H]1c1cccs1 103921131 LYLRCBLZTSYUTH-QHCPKHFHSA-N 400.503 6.218 0 1 HKAF COc1ncccc1-c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1 139429674 AERXVVORRCWHIC-UHFFFAOYSA-N 422.444 5.052 0 1 HKAF COc1cccc(C(=O)[C@@H]2C[C@@H]2CN2CC=C(c3c(C)[nH]c4ccccc34)CC2)c1 169362140 YLFWQQFYVZMRSU-NFBKMPQASA-N 400.522 5.093 0 1 HKAF COc1ccc(C2CCN(C(=O)c3ccc(C)c(-c4nc(C)[nH]c4C)c3)CC2)cc1 219094456 BMVGSAATCYIUNE-UHFFFAOYSA-N 403.526 5.030 0 1 HKAF COc1cc(/C=C/CO)cc(O)c1OC/C=C(\C)CC/C=C(\C)CCC=C(C)C 238751754 OWYVGANMNUNBLO-NOIJNHMUSA-N 400.559 6.204 0 1 HKAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)O[C@@H]3[C@@H](C)CCC[C@H]3C)CN(C)[C@H]1C2 253648212 WRVDEIUJUYJDJD-VYTQXOFQSA-N 422.613 5.550 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@@H](O)C[C@@H]1CC3 253698645 RFSQQROZMSPZKI-MIAUYDAOSA-N 400.691 7.779 0 1 HKAF CC[C@H](/C=C/[C@H](C)[C@H]1CC[C@@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 255208678 DZUAZCZFSVNHEF-RDRBXYOUSA-N 410.686 8.009 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(C(=O)OCC)ccc4[nH]3)cc2)CC1 586878727 AHIZAYWHCKRTJU-WGSAOQKQSA-N 404.554 6.871 0 1 HKAF CCCOc1cc2nc(-c3cccc4c3OCC4(C)C)[nH]c2cc1Br 586912062 PMLJWNFDSLCLLW-UHFFFAOYSA-N 401.304 5.451 0 1 HKAF Cc1ccc2c3c(cc(-c4cncc(Br)c4)nc13)-c1ccccc1C2=O 586992564 DECUBPKMADBFNT-UHFFFAOYSA-N 401.263 5.579 0 1 HKAF CSc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(Cl)c1 586994243 RCDAPZABBPZIFB-UHFFFAOYSA-N 403.890 6.194 0 1 HKAF CCCCOc1cc2[nH]c(-c3ccc(Br)o3)nc2cc1Br 587007935 QHEQZROODSAENM-UHFFFAOYSA-N 414.097 5.527 0 1 HKAF Cc1nc(C2CC2)sc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587013230 ZXLHQHWRCYOMFL-UHFFFAOYSA-N 420.376 6.060 0 1 HKAF Clc1ccccc1OCc1ccc(-c2nc3nc(Br)ccc3[nH]2)o1 587065246 WJJZXXPSRBCFLI-UHFFFAOYSA-N 404.651 5.213 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(CCO)cc2[nH]1 587069246 DLIBHGSHELAJEP-CHBHLYQYSA-N 401.337 5.771 0 1 HKAF O=C(O)c1cccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587072372 ZSWJIXGOXALYQA-XFXZXTDPSA-N 404.853 5.664 0 1 HKAF Cc1c(Br)ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587073680 KYQQKIIWZBAOLX-KRWDZBQOSA-N 404.739 5.624 0 1 HKAF CC(=O)[C@@H](c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)c1ccccc1C(=O)O 587100669 DVUNFVSVVSIZBO-HSZRJFAPSA-N 421.452 5.174 0 1 HKAF FC(F)(F)c1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(Br)cn1 587114480 BKPHVWBPFMSHHD-UHFFFAOYSA-N 411.008 5.713 0 1 HKAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 587121751 JYUMQOCJIHCPST-UHFFFAOYSA-N 413.186 5.687 0 1 HKAF CCOC(=O)c1ccc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1 587129912 OGWRBPKZIHTEMC-ZETCQYMHSA-N 418.778 5.074 0 1 HKAF Fc1ccc(-c2ccccc2-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1F 587145815 SDWOKUWVYACVCE-UHFFFAOYSA-N 420.644 5.986 0 1 HKAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587176035 ZPHWDGBPXOVULV-FQEVSTJZSA-N 400.457 5.005 0 1 HKAF CCCc1ccc(-c2nc3cccc4c3c(c2CCC(=O)O)-c2ccccc2C4=O)cc1 587207639 ULAUFQXNPQULPQ-UHFFFAOYSA-N 421.496 6.083 0 1 HKAF CC(C)(C)c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587354149 NBBSJHYEHNHSBV-ZEQKJWHPSA-N 404.481 6.103 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCO[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 587361422 YNUGLJAPNSBXAW-ARNLJNQMSA-N 404.437 5.181 0 1 HKAF COC(=O)c1ccc(Cc2cnc3c(oc4ccccc43)c2-c2cccc(OC)c2)cc1 587364126 XFWTWQNDZZWRQA-UHFFFAOYSA-N 423.468 6.034 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCc4ccc(C)cc4)c1)[C@@H](C2)C3=O 587444273 SMTAXUBMGDHYJP-RXFWQSSRSA-N 416.473 5.080 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(=O)O)cc3)s1)CC2=O 587496412 XFVCQYAPDYTXPX-IBGZPJMESA-N 408.475 5.478 0 1 HKAF C[C@]1(c2ccc(Br)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587499075 QTTKKJALKBBOEG-XMMPIXPASA-N 421.334 6.362 0 1 HKAF O=C1C[C@@](Cc2ccc(Cl)cc2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587500621 MNXMLBDFFYEPJG-SANMLTNESA-N 402.921 6.322 0 1 HKAF Cc1ccc(-c2nc3ncccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587516610 YPKBNQJGXSGMEM-QHCPKHFHSA-N 423.516 5.598 0 1 HKAF Cc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531307 YCOYJJZNIGLDAM-MHZLTWQESA-N 412.485 5.481 0 1 HKAF C[C@]1(c2c(Cl)cccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547938 VKNHNPCXGRQBAQ-GHTZIAJQSA-N 401.245 5.576 0 1 HKAF CCCCn1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccccc21 587576679 KDLJVWXNSFHBJF-XUZZJYLKSA-N 414.461 5.245 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(CCC(=O)O)c2c1 587639502 YIDLUFMGPFZSOH-CYBMUJFWSA-N 400.316 6.128 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3c[nH]c(C=O)c3)c(N3CCC(C(F)(F)F)CC3)c2c1 587640970 HQEVUKNRRFZWIF-AWEZNQCLSA-N 417.475 6.268 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CC=C(Br)CC2)N1 587684937 RMMOXPWYYMMBNW-ILMHXZGMSA-N 417.160 5.417 0 1 HKAF COc1c(Cl)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587696464 UKBZLBCZQJUYCR-ZKANADHPSA-N 419.121 5.527 0 1 HKAF Cc1cc(Cl)cc2c1OCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587697090 LOCUWWKIKXZVGV-NSPYISDASA-N 410.714 5.110 0 1 HKAF Cc1ccc(Cl)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F 587714881 GGJNBTNEYIFWIV-XTZNXHDOSA-N 400.694 5.487 0 1 HKAF COc1ccc(C[C@H](C)[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587724426 HXSOWFJHUQUSBU-XXRNEEKGSA-N 410.302 5.190 0 1 HKAF CCCCn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587757523 OKQFANPGDZLMLW-FPTDNZKUSA-N 415.350 5.967 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 587779912 JLDCVHPEZMBFOS-UHFFFAOYSA-N 413.521 5.128 0 1 HKAF COc1cccc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1O 587787474 TYPOUGVQPBOSOL-UHFFFAOYSA-N 405.292 5.132 0 1 HKAF CC[C@H](C)Oc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587791716 KNRWTNPHWKMKCL-RRMDADRESA-N 422.338 5.398 0 1 HKAF COc1ccc([C@@]2(CCC(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587808699 OGMWBNYIUBPVIO-OYHNWAKOSA-N 420.366 5.811 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)Cc2ccccc2-3)N1 587815266 LOMXBUNLAARHNU-LFPIHBKWSA-N 422.341 5.957 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](c3ccccc3)OC2(C)C)N1 587835367 WANPXYPODJQUOJ-DYHNYNMBSA-N 404.323 5.258 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3cccs3)cc2)N1 587852876 NVOYZJJGFQPYOT-YEJXKQKISA-N 416.359 6.114 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nc(-c3ccccc3)cs2)N1 587855261 UCLZRFOXHVGBOK-ODXCJYRJSA-N 417.347 5.509 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(C)cc2[nH]1 587958817 IHJZYULPYOVUBQ-UKFPHXRLSA-N 416.653 8.726 0 1 HKAF CCCOc1ccc(-c2ccc(-c3noc(Cc4c[nH]c5ccccc45)n3)s2)cc1 653691115 WRJGGYSWXOATKR-UHFFFAOYSA-N 415.518 6.326 0 1 HKAF CN(Cc1ccc(CN(C)Cc2cccc(Cl)c2)cc1)Cc1cccc(Cl)c1 653837876 JMXHLCANHZILLW-UHFFFAOYSA-N 413.392 6.257 0 1 HKAF COc1ccc2c(c1OC)[C@H](c1ccc(N(C)c3ccccc3)cc1)N(C)[C@@H](C)C2 962632426 JNTPUSLNFMWZHL-BVZFJXPGSA-N 402.538 5.438 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCCc3ccc(Oc4ccccc4)cc32)N1 962938949 AUEHPYZNBHQUAK-NGOKVRLYSA-N 408.545 6.464 0 1 HKAF Clc1cc(Cl)c2c(c1)[C@]1(CCCOc3c1ccc(Cl)c3Cl)NCC2 963125366 UNHSPXGPWPZTTE-GOSISDBHSA-N 403.136 5.862 0 1 HKAF FC(F)(F)[C@@H]1C=C[C@@]2(CC1)NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963831465 GRFDRNYDOZDMHB-HXOBKFHXSA-N 412.455 5.616 0 1 HKAF CN(c1c(Cl)cccc1Cl)c1nn(-c2ccc(C(=O)O)cc2)c2ccccc12 1772580256 QETOUYDAQCBBHM-UHFFFAOYSA-N 412.276 5.798 0 1 HKAF CC(C)(C)O[C@H](C(=O)O)c1c(-c2ccccc2)nc(-c2ccccc2)c2ccccc12 1857569454 AKUAHLTULWSBQO-VWLOTQADSA-N 411.501 6.510 0 1 HKAF CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)OC[C@@H](O)CO 2356284983 IDSLCYURGAOTOA-DEOSSOPVSA-N 404.591 5.585 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356530247 JVEARGBOXRHBPV-ZZEMIZHFSA-N 414.674 6.382 0 1 HKAF CC(C)C1=C(C[C@@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)[C@H]1C 2356590063 CPOLWWXFYSOOCH-BYBWKALWSA-N 410.686 7.555 0 1 HKAF c1cncc(/N=c2\scc(-c3cccc4ccccc34)n2CCCn2ccnc2)c1 13136586 WBCRRYQLQUWYGY-PNHLSOANSA-N 411.534 5.284 0 1 HKAF Fc1ccccc1N1CCN(CCCCc2cc(/C=C/c3ccccc3)no2)CC1 13441324 IMHPBHXANRDMAO-BUHFOSPRSA-N 405.517 5.129 0 1 HKAF CN(Cc1ccc(COC(=O)[C@H](c2ccccc2)C2CCCCC2)o1)C1CCCCC1 13601990 HVOWODINLRMUOC-AREMUKBSSA-N 423.597 6.451 0 1 HKAF Oc1ccc(-c2cc3cc(O)ccc3n2CCCCCCNCc2ccccn2)cc1 13649983 AZSFBRPFULNKPY-UHFFFAOYSA-N 415.537 5.465 0 1 HKAF COc1ccc(-c2nc(SC(F)(F)C(F)F)[nH]c2-c2ccc(OC)cc2)cc1 28219482 MAJAPHSQRVYXSC-UHFFFAOYSA-N 412.408 5.711 0 1 HKAF COc1cc2c(c(OC)c1)[C@H](CC(c1ccccc1)c1ccccc1)N(C(C)=O)CC2 28394056 GDUUJQHYQZBCSG-VWLOTQADSA-N 415.533 5.372 0 1 HKAF Cn1ccc(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(Cl)c2)n1 28570023 LLXMTMODFSWNAD-UHFFFAOYSA-N 415.884 5.040 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C=C(CO)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 28760139 ACLUPLRKEIYGOI-JOOMPNRTSA-N 413.646 5.739 0 1 HKAF CSc1sc(C(=N)N)cc1-c1nc(-c2ccc(-c3ccccc3)cc2)cs1 28771329 YJSXRDXBOOLGGT-UHFFFAOYSA-N 407.589 6.212 0 1 HKAF COc1cc2nccc(Oc3ccc4c(C(=O)NC(C)C)cccc4c3)c2cc1OC 29133961 REKQXOMQYIHNKM-UHFFFAOYSA-N 416.477 5.336 0 1 HKAF O=C(/C(=C(\C1=Cc2ccccc2CC1)c1ccccc1)c1ccccc1)N1CCCC1 33827585 KYXQBPWGQOXNKL-DQSJHHFOSA-N 405.541 6.250 0 1 HKAF Nc1ccc(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3Cl)c3ccccc32)cc1 38653661 NAYFCWJJIIAOEG-SANMLTNESA-N 424.931 6.263 0 1 HKAF CC(C)[C@H]1C[C@@H](OC(c2ccccc2)c2ccccc2)CCN1CCc1ccccc1 40863123 QZHRCCSPVWFUAC-WUFINQPMSA-N 413.605 6.524 0 1 HKAF O=C(/C=C/c1ccc(F)cc1)Nc1ccc(-c2nc3ccc(Cl)cc3n2O)cc1 45290506 OSGXGJCITBLRSJ-KGVSQERTSA-N 407.832 5.385 0 1 HKAF CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)CO[C@H](c1ccccc1)C(C)(C)C 49036708 XHYUQWCPKNBQON-CLJLJLNGSA-N 419.609 5.915 0 1 HKAF CC(=O)SCC[C@H](CCCCC(=O)Nc1ccccc1Cl)SC(C)=O 49070544 AQTTVEHPMAXBTR-HNNXBMFYSA-N 401.981 5.157 0 1 HKAF Cc1nc(CNc2ncnc3ccc(-c4oc(-c5ccccc5)nc4C)cc23)cs1 64705084 LRRDAYONUUIZRJ-UHFFFAOYSA-N 413.506 5.637 0 1 HKAF Cc1cccc(C)c1Nc1c(-c2ccc(O)cc2O)nc2ccc(Br)cn12 72124621 JRGUUVQKKXVTNQ-UHFFFAOYSA-N 424.298 5.535 0 1 HKAF COc1cc(Nc2nc3c(s2)CCC[C@H]3c2ccccc2)ccc1-c1nc(C)no1 73161999 BNPXUXWEQBYHQY-KRWDZBQOSA-N 418.522 5.722 0 1 HKAF COc1cc2nc(NCCCCc3ccccc3)nc(NCC(C)C)c2cc1OC 82128003 OTXOYJUJFFPDCQ-UHFFFAOYSA-N 408.546 5.150 0 1 HKAF Cc1ccc(N2C(=O)[C@H](c3ccccc3Cl)C[C@H](c3ccccc3Cl)C2=O)cc1 82156283 WHKQHRIDCOEQRX-BGYRXZFFSA-N 424.327 6.133 0 1 HKAF C=CC(=O)Nc1ccc(OC)c(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)c1 96937395 WIISKNAPHJLZGS-UHFFFAOYSA-N 419.872 5.155 0 1 HKAF OC1=C2C(=Nc3nc(SCc4ccccc4F)nn3[C@H]2c2cccs2)CCC1 100638184 CBVCQFZKBGCRSQ-SFHVURJKSA-N 412.515 5.443 0 1 HKAF CC(C)=CCN1CC[C@@]2(C)c3cc(SC(=O)c4ccccc4)ccc3C[C@H]1[C@@H]2C 100795169 WMVROBMFXLOHAT-VFHOHQAYSA-N 405.607 6.110 0 1 HKAF CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(O)=C2[C@@H]1c1cccs1 104049402 DPMLOSSSACEVOZ-CMJOXMDJSA-N 404.491 5.911 0 1 HKAF Cc1[nH]c(C)c(-c2ccc(C#Cc3ccc(C(F)(F)F)cc3)nc2)c(=O)c1Cl 144075141 VPSYQEKHLBDCIH-UHFFFAOYSA-N 402.803 5.126 0 1 HKAF O=C(NCCC1=CCCCC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 148396805 YENGERPHWLOPFX-UHFFFAOYSA-N 414.509 5.633 0 1 HKAF COc1cncc(OC)c1[C@@H]1CCCCC(=O)N1Cc1cccc(-c2ccccc2)c1 167025837 CHTGYZJKSLFAHJ-QFIPXVFZSA-N 416.521 5.410 0 1 HKAF CC[C@@H](C)Sc1nc2c(cc(-c3ccc(C)cc3)n2-c2ccccc2)c(=N)s1 169313050 GYOCSIIGMLITCE-MRXNPFEDSA-N 405.592 6.432 0 1 HKAF COc1ccc(-n2c(O)c(-c3ccccc3)n(-c3ccc(OC)cc3)c2=S)cc1 169719319 NXIWXNWOVPYSCV-UHFFFAOYSA-N 404.491 5.387 0 1 HKAF c1ccc(COc2ccc3[nH]c4c(c3c2)C[C@H]2c3cc5c(cc3CCN2C4)OCO5)cc1 209376335 HLPRSACEXBYGBY-VWLOTQADSA-N 424.500 5.131 0 1 HKAF C/C(=C\Cc1c(O)cc(/C=C/c2ccccc2)c(C(=O)O)c1O)C/C=C/C(C)(C)O 238769579 GQZRMSLCMZMVGT-AKTRQUIKSA-N 408.494 5.172 0 1 HKAF C[C@H](O[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O)[C@H](C)c1ccccc1 253647166 QCBYZOSVCCPKPO-TZPNTHKFSA-N 418.924 5.664 0 1 HKAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 586885149 AEONIFXCHAQYGW-HWPZZCPQSA-N 413.237 5.490 0 1 HKAF FC(F)(F)c1cc(Br)cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c12 586888119 WKHNLRVOQYQXME-KBXCAEBGSA-N 407.233 5.716 0 1 HKAF O=Cc1cc(Br)cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 586983354 ZQOVZKXGHWLGJR-UHFFFAOYSA-N 414.484 5.221 0 1 HKAF COc1cccc([C@H]2CCCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)c1 586991352 JNFNQSLZNHDAFG-QGZVFWFLSA-N 407.469 5.629 0 1 HKAF COC(=O)CCCCCCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586993586 YGZGFXPKGDMFQB-UHFFFAOYSA-N 403.478 5.208 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@@H](CNC(=O)OC(C)(C)C)CC4)-c1ccccc1C2=O 586994920 BOCFFYNNOKNTNA-OAHLLOKOSA-N 414.505 5.309 0 1 HKAF Clc1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2n1 587018193 VTZNCOUWPYTKPN-UHFFFAOYSA-N 411.737 5.150 0 1 HKAF C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(F)cnc2[nH]1 587054478 KZXSRMSSWRBWLC-LLVKDONJSA-N 418.255 6.336 0 1 HKAF Clc1ccccc1NCc1nc2c(Br)ccc(Br)c2[nH]1 587060886 VKFFJFXWILTAIW-UHFFFAOYSA-N 415.516 5.353 0 1 HKAF Cc1c(Br)cc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2c1C 587067823 ABDCTSORJQNUCL-JTQLQIEISA-N 405.723 5.972 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(C(N)=O)cc2[nH]1 587071392 KQOVUYGZOQMNLE-YRHSSUKESA-N 400.309 5.335 0 1 HKAF Cc1c(-c2cccc(Br)c2)nc2cccc3c2c1-c1ccccc1C3=O 587102756 XONHPJNJHRTCMQ-UHFFFAOYSA-N 400.275 6.184 0 1 HKAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1F 587151111 GDQYQZIECRTJDN-RKDXNWHRSA-N 417.175 5.894 0 1 HKAF N[C@@H](Cc1nc2cc(Cl)cc(Br)c2[nH]1)c1cccc2ccccc12 587258761 KBAGMPJLKJOCFC-INIZCTEOSA-N 400.707 5.375 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCc3c(F)ccc(Cl)c32)[C@@H]1c1ccc(F)cc1 587335729 OPSAIAQILGQJBO-OFNKIYASSA-N 412.819 5.524 0 1 HKAF C[C@]1(c2cc(Cl)cnc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336698 ZFVJLCBBCAZSIX-WIYYLYMNSA-N 418.251 5.507 0 1 HKAF COc1cccc(-c2cc(-c3c[nH]c4cc(F)ccc34)nc3c2oc2ccccc23)c1 587360185 KOPKGEXOTYEFLR-UHFFFAOYSA-N 408.432 6.944 0 1 HKAF COc1cccc(-c2cc(/C=C/C3=C(C)CCCC3(C)C)nc3c2oc2ccccc23)c1 587365655 NIOSTLAAJAQWRA-CCEZHUSRSA-N 423.556 8.196 0 1 HKAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cc(C)ccc1C 587399149 INVPABYHISBEIM-RUZDIDTESA-N 417.505 5.488 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccc(Cl)cc3)cc1)CC2=O 587460865 JDDDMASVFVBTEV-RUZDIDTESA-N 406.909 6.546 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3c(C)cc(Br)cc13)CC2=O 587461687 XXEAFWVIDRWVLD-LJQANCHMSA-N 414.299 5.603 0 1 HKAF O=C1C[C@]2(CCCOc3ccc(Br)cc32)Oc2c1ccc1c2CCCC1 587495649 FIFKYNXGOZTQDG-QFIPXVFZSA-N 413.311 5.361 0 1 HKAF CCc1ccc(-c2cnc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 587585917 ILKLYSVZGTWQTA-XUZZJYLKSA-N 413.429 5.313 0 1 HKAF Cc1ccc(C[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587603949 SMPVRQROMUHPBE-LSYYVWMOSA-N 422.480 5.800 0 1 HKAF CCc1cccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587604174 UYQQEKJWMPVSIQ-NAKRPHOHSA-N 422.480 5.860 0 1 HKAF C[C@@]1(c2cc(Cl)sc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615531 XZRBIQUVFFIEOZ-KXBFYZLASA-N 407.274 5.638 0 1 HKAF Cc1cc(Cl)cc2c(CCCC3OCCO3)c([C@H](C)NC(=O)OC(C)(C)C)[nH]c12 587627336 SQIDFMQDLUDBIR-AWEZNQCLSA-N 422.953 5.411 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3cccc(Cl)c3)CC2)N1 587704124 SJRWQPQYUMJUOE-CYBMUJFWSA-N 423.757 5.272 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(F)ccc2F)(C(F)(F)F)N1 587706575 QTPDRRFBMYILIF-ZKANADHPSA-N 424.182 5.207 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(C3CCCCC3)nc2)N1 587776068 VXEFYSXLAQJINM-HXPMCKFVSA-N 404.327 5.050 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c(COC/C=C/c3ccccc3)nc2c1 587781500 VKRMNWGVVLKQAA-QPJJXVBHSA-N 411.221 5.574 0 1 HKAF COc1ccc([C@]2(CCC(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587808695 OGMWBNYIUBPVIO-NYHFZMIOSA-N 420.366 5.811 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccccc1C 587858348 FZAWVRZWANQAQA-CQSZACIVSA-N 419.308 5.672 0 1 HKAF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3cccc(Cl)c3)cs2)cc1 587920139 GETBSCCQLIXOIA-UHFFFAOYSA-N 400.931 6.401 0 1 HKAF Ic1cccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 587955810 PQJWXIULARXVAE-KRWDZBQOSA-N 424.285 5.542 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c(O)ncnc2[nH]1 587958392 FWVAMDDVVBEYFX-XSCOUVMYSA-N 420.601 6.913 0 1 HKAF Cc1cccnc1C(=O)Nc1ccc(N2Cc3c(Cl)cccc3C2=O)c(Cl)c1 653738082 JBKGVKFDQFBQHV-UHFFFAOYSA-N 412.276 5.110 0 1 HKAF CCCN(CCC)C(=O)c1c(CC)c2c(C(=O)OC(C)(C)C)ncn2c2ccccc12 653833307 ADJFOIGZHHMHQJ-UHFFFAOYSA-N 423.557 5.267 0 1 HKAF COc1ccc2c(c1)[C@@H](c1c(C)nn(-c3ccc(Cl)cc3)c1C)N(C(C)C)CC2 962092941 RPBWPXFNQGRUNI-DEOSSOPVSA-N 409.961 5.507 0 1 HKAF Cc1sc2c(c1C)CCN[C@@]2(c1ccc(CN2CCCC2)cc1)c1ccccc1F 963011218 OLMFJRAKNXKERT-SANMLTNESA-N 420.597 5.537 0 1 HKAF Cc1cc(F)cc([C@]2(c3ccc(Cl)cc3)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963022621 KEQAGFBORSNREU-CPJLOUKISA-N 420.915 5.133 0 1 HKAF COc1ccc(-c2ccc([C@@]3(C4CC4)c4c(F)cccc4C[C@H]4CCCN43)cc2)cc1 963114492 UEZQRJSDCGHCHB-UFHPHHKVSA-N 413.536 6.175 0 1 HKAF O=C(O)CC[C@]1(c2cccc(Cl)c2Cl)NCCc2c(Cl)cc(Cl)cc21 963117354 YNPYZDZQTSRMOY-GOSISDBHSA-N 419.135 5.554 0 1 HKAF O=C(O)c1cccc2c1CCN[C@@H]2c1c(OCc2ccccc2)ccc2ccccc12 963136153 YTTCIUYYVQZIDN-SANMLTNESA-N 409.485 5.352 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2C1(Cc1ccccc1F)Cc1ccccc1F 963241746 NXBJOBJHMMARDL-HXUWFJFHSA-N 405.532 6.302 0 1 HKAF O=C(c1ccccc1Cl)[C@@]1(c2ccccc2Cl)NCCc2cccc(Cl)c21 963390336 HRVQXBZOCCPVRC-QFIPXVFZSA-N 416.735 5.919 0 1 HKAF COc1cccc2cc(/C=C3/C[C@@H](c4ccc(Cl)cc4)OC3=O)c(Cl)nc12 1857543989 NESCUFIMQOXJMS-BXBOZWQASA-N 400.261 5.622 0 1 HKAF CCCOc1ccc(-c2c(OC)cc(-c3ccc(O)cc3)c(OC)c2OCCC)cc1 1857638753 JNUNUBMDJSLSIM-UHFFFAOYSA-N 422.521 6.321 0 1 HKAF Cc1cc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2cc1-c1ccccc1 1857648264 PECJECMZDMQILT-UHFFFAOYSA-N 417.940 5.462 0 1 HKAF COc1ccc(-c2nc3c(cc(Nc4ccc(Cl)cc4)c4ccccc43)o2)cc1 1857747606 LPUCGGDYDJOEEQ-UHFFFAOYSA-N 400.865 7.054 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O 2356465804 HYMBAQLCWUMAHD-UHFFFAOYSA-N 406.478 5.812 0 1 HKAF CC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C 2356478205 VRDLZINLAAZCHM-UHFFFAOYSA-N 410.730 10.605 0 1 HKAF CC(C)[C@@H](O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356571563 VDKSIHRRZLCAGD-NJQNMVCBSA-N 420.678 5.410 0 1 HKAF CC(C)=CCC[C@@]12[C@@H](Cc3c[nH]c4ccccc34)[C@@H](C)CC[C@@]1(C)[C@@H](C)CC[C@H]2O 2356599586 FPEXNLMEEYKYDQ-OPFIGLMPSA-N 407.642 7.286 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356638660 NBJZGNFIZZWBOJ-CTPRQWQQSA-N 416.690 6.894 0 1 HKAF CCC[C@H](C)CCC[C@H](C)C(=O)C[C@H](O)[C@H](C)CC=CC1=C(C)CCCC1(C)C 2356677807 JSSNFOHEHRIBDT-PFMZIPKWSA-N 404.679 7.658 0 1 HKAF OCC1(Cc2ccccc2C(F)(F)F)CCN(Cc2cccc3cnccc23)CC1 13596927 BJMIKSIZIYGEPE-UHFFFAOYSA-N 414.471 5.071 0 3 HKAF CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 732701 VYAWDYCLFHULJY-UHFFFAOYSA-N 403.313 6.121 0 1 HKAF CCCCCc1n[nH]c2ccc(Oc3c(C)cc(NC(=O)C(=O)OCC)cc3C)cc12 3943380 RHAGPMZPHJCDHK-UHFFFAOYSA-N 423.513 5.206 0 1 HKAF C[C@@]1([C@H](NC(=O)c2ccccc2)c2ccc(-c3ccccc3)cc2)C[C@H]1C1CCCCC1 8607492 OOXXVKGKKJEPAG-PKZQBKLLSA-N 423.600 7.431 0 1 HKAF CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NCCO)c1 13676001 DRWQZEYHAAXGEF-UHFFFAOYSA-N 407.595 5.123 0 1 HKAF O=C1Nc2ccc(Cl)cc2[C@H](c2ccccc2)N[C@@H]1Cc1c[nH]c2ccccc12 28240621 SCUOXPXCQXEGTR-PKTZIBPZSA-N 401.897 5.064 0 1 HKAF COc1cc2[nH]cc(CCCCCCCCCCCCCCCCO)c2cc1OC 28637828 RHZRVNBNGMEGQJ-UHFFFAOYSA-N 417.634 7.181 0 1 HKAF CC(C)CCC[C@@](C)(O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 40164532 PRZXKPDANWDCNC-UEQRSOIMSA-N 418.662 5.619 0 1 HKAF endogenous,in-man O=C(O)c1csc(NC(=O)[C@@H](CC2CCCC2)c2ccc(Cl)c(Cl)c2)n1 49112967 FDQRYJSBXWMVHG-LBPRGKRZSA-N 413.326 5.451 0 1 HKAF CN(c1ccccc1)[C@@H](c1ccc(O)c(Br)c1)c1c[nH]c2ccccc12 71341140 JBJUARVLMORFMH-QFIPXVFZSA-N 407.311 5.862 0 1 HKAF COC1=CC(c2ccc[nH]2)=N/C1=C\c1ccc(CCCCCCCCCCCN)[nH]1 72111450 ZLMLHIGOHJQGMA-MOHJPFBDSA-N 408.590 5.729 0 1 HKAF NC(=O)c1ccccc1Nc1cc(Oc2cccc3ccccc23)ncc1C(F)(F)F 73163953 BBVXPNDIVLNONK-UHFFFAOYSA-N 423.394 5.888 0 1 HKAF CCCCCc1nc(-c2cnc(N(C)CC(C)C)nc2-c2ccccc2C)oc1C 82177288 WBHPKXGLBRMXGP-UHFFFAOYSA-N 406.574 6.240 0 1 HKAF O[C@@H](c1ccccc1)[C@H]1CO[C@H](c2ccccc2)[C@@H](C/C=C/c2ccc(F)cc2)C1 96921350 SVAYIXQIRGVXLF-FNHDHFIBSA-N 402.509 6.357 0 1 HKAF O[C@@]1(c2ccc(Br)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12 101185407 QLWQFJPPXAYVOM-HATOLVCRSA-N 412.327 5.210 0 1 HKAF Clc1ccc([C@@H]2C[C@@H]3CC[C@H](S3)[C@H]2c2cc(-c3ccccc3)no2)cc1Cl 101388849 KWPJGSRDVFKINU-WWLNLUSPSA-N 416.373 7.184 0 1 HKAF O=C(Nc1ccc(F)cc1)c1ccc(SCc2cccc(OC(F)(F)F)c2)nc1 145110936 RCVHEDOGHCHCEQ-UHFFFAOYSA-N 422.403 5.664 0 1 HKAF CC(C)CNC(=O)/C=C/C=C\CCCCCCCC/C=C\c1ccc2c(c1)OCO2 147858801 DRMOIHOBUYFDKF-PYGLYIMBSA-N 411.586 6.434 0 1 HKAF Cc1c(C(=O)N2CC=C(c3ccc(F)cc3)CC2)sc2c1[nH]c(=O)c1ccccc12 169350467 QSUKOXOCHHQXGS-UHFFFAOYSA-N 418.493 5.120 0 1 HKAF CC[C@]1(C(=O)Nc2cccc(C(F)(F)F)c2)CC(=O)N(c2c(C)cccc2C)C1 198437198 KMNLMINWSNSBQP-NRFANRHFSA-N 404.432 5.094 0 1 HKAF c1ccc(CN2[C@H](c3ccccc3)C3=C(NO[C@@H]3c3cccnc3)[C@H]3CCCC[C@H]32)cc1 254133110 KURMYIOERUOJAA-XSRCTALUSA-N 423.560 5.728 0 1 HKAF CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4C(=CC[C@@]5(C)CC[C@@H](C)[C@H](C)[C@H]45)[C@@]3(C)CC[C@]12C 255268973 SUEBFPVZWVXEBN-XSMYFZSVSA-N 408.714 8.830 0 1 HKAF Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccccc4C)cc-3c2=O)c(C)c1 299819327 BZDQQTNTPSRYMK-UHFFFAOYSA-N 407.517 5.325 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4Nc5nocc5C[C@]4(C)[C@H]3CC[C@]12C 299847531 CDSNJPKIZZSWGQ-QXXCTGJASA-N 412.662 7.332 0 1 HKAF O=C1CCc2cc3nc(-c4cc(Cl)cc(Cl)c4Br)[nH]c3cc2N1 586978067 WCVWNLLUKYRHSQ-UHFFFAOYSA-N 411.086 5.184 0 1 HKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2c(F)cnc(Cl)c2[nH]1 586983053 VCBSLVQPGLQJTH-GFCCVEGCSA-N 410.718 5.885 0 1 HKAF Cc1nc(-c2cnccn2)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586994152 NXXTWYYXMTUPJS-UHFFFAOYSA-N 422.469 5.041 0 1 HKAF Clc1cc(Cl)cc(-c2nc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cs2)c1 587015584 QZBLRXDWXWXFSR-UHFFFAOYSA-N 418.305 5.822 0 1 HKAF CCCOc1cc2nc([C@H]3SCCc4sccc43)[nH]c2cc1Br 587037500 WAZPFEADGSEMDL-INIZCTEOSA-N 409.374 5.554 0 1 HKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c2)cc1 587067461 BHAHXFJOJMDTRZ-UHFFFAOYSA-N 403.791 5.456 0 1 HKAF Clc1ccc(CN2CCC[C@@H]2c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 587077446 TYSCNYGUINPNFZ-XMMPIXPASA-N 417.940 6.132 0 1 HKAF Oc1ccccc1-c1cc(-c2nc3ccc(F)c(F)c3[nH]2)c2cccc(Cl)c2n1 587082243 KEGKEZSGSZWLRE-UHFFFAOYSA-N 407.807 6.082 0 1 HKAF Fc1c(F)c(F)c(/C=C/c2nc3ccc(Br)c(F)c3[nH]2)c(F)c1F 587134600 NTMKXHWWHIEIJJ-DAFODLJHSA-N 407.111 5.330 0 1 HKAF CC(C)Oc1cc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c2cc1Br 587150521 LTWCQZXMQYWYKL-SNVBAGLBSA-N 411.246 5.531 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c(F)c2)c(F)c1 587150669 DGYWBIORKBONGE-UHFFFAOYSA-N 422.328 6.342 0 1 HKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(OC(F)(F)F)ccc3[nH]2)cc1 587159269 WDACYTZDNABUQS-UHFFFAOYSA-N 400.331 5.747 0 1 HKAF CC(C)[C@@H](c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)N(C)C(=O)OCc1ccccc1 587197283 CMAMLZKLBDKOFY-SFHVURJKSA-N 423.410 5.687 0 1 HKAF Nc1ccc(/C=C\c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 587251400 GBTIUXGHWURYFK-FLIBITNWSA-N 420.310 5.657 0 1 HKAF C[C@]1(c2ccc(F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335769 OWESEZPWPZDMLX-IFMALSPDSA-N 400.808 5.598 0 1 HKAF Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1C(C)(C)C 587336581 ACVYPYYZFRNNNR-ZJSXRUAMSA-N 408.473 5.066 0 1 HKAF O=C1c2ccc(O)cc2OC2(CCN(c3cccc(F)c3)CC2)[C@H]1c1ccc(F)cc1 587340130 WXXOBCMDGQFDOK-QHCPKHFHSA-N 421.443 5.069 0 1 HKAF Brc1ccccc1-c1nc2c(s1)-c1nc3cccc4c3c(c1CC2)CC4 587359167 HDACBQGACKCNQU-UHFFFAOYSA-N 419.347 5.985 0 1 HKAF COC(=O)C[C@@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)[C@H]1C 587362932 MWWHTIGNQOPXIL-HOCLYGCPSA-N 401.462 5.496 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1[nH]c1ccc(Br)cc31)O2 587370101 BSOIMNKTWDPQKH-OAQYLSRUSA-N 411.299 5.018 0 1 HKAF Cc1nc(C(C)C)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587371353 BZJOPRFDDOPCHH-XXBNENTESA-N 411.498 5.694 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(c3ccc(Cl)cc3)Oc3ccc(C)cc31)O2 587380004 NRGKMGNPQPHIRT-RUZDIDTESA-N 417.892 5.833 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccccc1Sc1ccc(Cl)cc1)[C@@H](C2)C3=O 587451007 HUPJNHXENDNUGZ-MBSDFSHPSA-N 408.906 5.989 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccc(O)c(C)c3)cc1)CC2=O 587492737 YJOYQCUJGFDVFX-SANMLTNESA-N 402.490 5.906 0 1 HKAF C[C@@]1(c2ccc(OCc3ccccc3)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587506046 OBAIPDZJJBPLQU-MHZLTWQESA-N 416.492 6.164 0 1 HKAF C[C@@]1(c2cc(Br)ccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587506564 YWUZXPPKLRSBJV-FQEVSTJZSA-N 405.719 5.862 0 1 HKAF O=C1C[C@@H](c2cc(Cl)cc(Cl)c2OC(F)F)Oc2c1ccc1c2CCCC1 587510068 YMHAYKGVWRSJFV-KRWDZBQOSA-N 413.247 6.180 0 1 HKAF CCc1ccc(-c2nc3ncccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587513747 FFSALGBLVVDGEN-QHCPKHFHSA-N 423.516 5.544 0 1 HKAF CCCC[C@@H](CC)COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520969 GWSWDJVRMGRUNA-NGOKVRLYSA-N 420.593 7.041 0 1 HKAF Cc1cc(Br)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587538870 GYZDFDQDTHZVFA-WIYYLYMNSA-N 411.251 5.166 0 1 HKAF C[C@@]1(c2c(F)cc(Cl)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555175 FRFDIZHGXQRJLR-RXVVDRJESA-N 402.780 5.201 0 1 HKAF Cc1c(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c(C)c1C=O 587604613 XKVGTWPVVSVANY-DHLKQENFSA-N 402.446 5.141 0 1 HKAF CC[C@]1(C)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2O1 587616893 NRBLVHSXXSHPKD-FTBPSBKWSA-N 402.446 5.201 0 1 HKAF CC(=O)c1c(-c2cc(Cl)ccc2O)[nH]c2c1c(Br)cc1n[nH]cc12 587621930 POCVBPLJEQWGOW-UHFFFAOYSA-N 404.651 5.035 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)c(-c3nc4ccccc4o3)c2c1 587644160 OMVPILDNMCYDAJ-GOSISDBHSA-N 422.572 8.454 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(C(F)(F)F)N1 587704751 KAJGWJHVUQIDCF-GTNSWQLSSA-N 402.229 5.123 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(Cl)nccc3c2)N1 587706973 UAMSFFFTODREOL-MLCYQJTMSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(Br)c2)N1 587732933 OPUGVWHRXCONCB-ZKANADHPSA-N 417.091 5.113 0 1 HKAF CCOc1ccc(OCC)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587799729 CENNHEUWJDOBMF-YUNKPMOVSA-N 408.311 5.009 0 1 HKAF CC(C)CCC[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812813 KWJKZXXCSUHUMH-KSFYIVLOSA-N 404.367 6.192 0 1 HKAF COc1ccc2c(C)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)oc2c1 587828961 PHXSWWHZBKESFZ-OVWNDWIMSA-N 404.279 5.275 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc(Cl)s2)N1 587848623 OSLSQAHHAUQAIW-BTDLBPIBSA-N 402.760 5.685 0 1 HKAF Cc1cc2c(cc1C)[C@]1(CCS2)N[C@H](C)Cc2ccc(F)c(Br)c21 587857967 NPPGACXZEYPSAL-XCLFUZPHSA-N 406.364 5.479 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2cc(Cl)ccc2[nH]1 587861035 KIBDOIJRMQBGNQ-UHFFFAOYSA-N 419.790 5.401 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2cc(Cl)ccc2s1 587862058 ZYRBKHAQTYNLCH-UHFFFAOYSA-N 424.740 6.508 0 1 HKAF CCc1ccc(OCc2cccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)c2)cc1 587873809 NSEVMWOCPDGCIL-UHFFFAOYSA-N 414.436 5.625 0 1 HKAF Cc1ccc(COc2ccc(-c3onc(C(=O)O)c3-c3ccc(Cl)cc3)cc2)cc1 653729590 NQCJMTTYESPWCY-UHFFFAOYSA-N 419.864 6.248 0 1 HKAF O=C(NCc1ccccc1)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1 653801362 YFEVQIYXPKSBAM-UHFFFAOYSA-N 415.276 5.534 0 1 HKAF CCOC(=O)CCC[C@]1(c2ccc(Cl)c(Cl)c2)NCCc2ccc(F)c(C)c21 962086981 BJYRHMFMQBARED-JOCHJYFZSA-N 424.343 5.564 0 1 HKAF CC(C)[C@]1(c2ccccc2Cl)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962640833 RGYVQPVJFGXXFG-YIXXDRMTSA-N 416.996 5.987 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@]2(C)c1nc2ccccc2n1Cc1ccccc1 963260020 VQHPSWYHAGSMQP-RUZDIDTESA-N 417.940 5.156 0 1 HKAF O=C(O)CCCCC[C@@]1(c2ccc(-c3ccccc3)cc2)NCCc2ccc(O)cc21 963354325 WEXNFIDNIWLTFX-MHZLTWQESA-N 415.533 5.484 0 1 HKAF CC(C)(C)CC(C)(C)c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 1772637435 VVVXRZQDARGUSJ-UHFFFAOYSA-N 407.476 6.437 0 1 HKAF C/C(=C\Cc1c(O)ccc2c1O[C@H](c1ccc(O)cc1)CC2=O)C/C=C/C(C)(C)O 1857558449 FIFNUTJXPDRKED-VPUNCEHESA-N 408.494 5.010 0 1 HKAF CC(C)[C@@H](C)[C@@]1(C)C[C@H]1[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2356347422 HMDSENZCYXUARJ-TVTHPTABSA-N 412.746 8.990 0 1 HKAF CC(C)=CCCC(C)=CCOc1cc(O)c2c(O)c3c(cc2c1)C[C@](C)(O)CC3=O 2356516090 KZPCPZBBGCTGCN-VWLOTQADSA-N 410.510 5.202 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 2356616374 UVNXFLZMQCAWCP-JHHXMQESSA-N 414.718 8.025 0 1 HKAF O=C(Nc1ccccc1)C1=C2CCc3ccccc3[C]2OC2=C1CCc1ccccc12 2356875813 SUNVQZWKMNFIQO-UHFFFAOYSA-N 404.489 5.836 0 1 HKAF COc1ccc(-c2ccc3c(c2)c(Sc2ccccc2)c(-c2ccccc2)n3C)cc1 95600081 VOAZEPLTKDJAQL-UHFFFAOYSA-N 421.565 7.672 0 3 HKAF CC(C)(C)c1noc(-c2ccc(-c3ccccc3)cc2)c1C(=O)NC1CCCCC1 2483306 MRGYRZAIKNJCEZ-UHFFFAOYSA-N 402.538 6.369 0 1 HKAF CC(C)CCNC(=O)c1c(-c2ccccc2F)noc1-c1c(F)cccc1Cl 2485126 GUCAVVAOZZCJBX-UHFFFAOYSA-N 404.844 5.716 0 1 HKAF COc1ccc(Nc2cc(C(=O)N[C@@H]3CCCC[C@@H]3C)c3ccccc3n2)cc1OC 4909610 HBENYDZJTHQUQX-OXJNMPFZSA-N 419.525 5.304 0 1 HKAF Cc1c(CC(=O)Nc2ccncc2)c2cc(Cl)ccc2n1Cc1ccc(F)cc1 13556605 JIFJQRLOCBYGIW-UHFFFAOYSA-N 407.876 5.367 0 1 HKAF CC(C)CC[C@@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O 26260177 FKOCLCFKCVBEKI-IBGZPJMESA-N 410.514 5.023 0 1 HKAF Cc1cc(C)cc(-c2c(OC[C@H]3CCCN(C)C3)c3c(Cl)cccc3[nH]c2=O)c1 26578808 OBRNDBSRMRHKIS-KRWDZBQOSA-N 410.945 5.186 0 1 HKAF CN1c2ccccc2N=C(c2ccc(C(=O)O)cc2)c2cc(-c3ccccc3)ccc21 27426590 ZKPREQNQLVWRHQ-UHFFFAOYSA-N 404.469 6.302 0 1 HKAF CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5[nH]ccc5c4)c3c2C)cc1 28567995 HNNUCKOGRAJMDL-UHFFFAOYSA-N 411.509 5.969 0 1 HKAF CCN1CCC[C@@H](Cn2c(C(C)C)nc3ccc(-c4ccc(F)cc4)cc3c2=O)C1 28713656 VEJYZHHHRRWZDS-GOSISDBHSA-N 407.533 5.058 0 1 HKAF CCO[C@@H]1c2ccccc2-c2c1c1cc(C)ccc1c(=O)n2Cc1ccc(OC)cc1 28955692 CSYKYMVQLIAWFK-AREMUKBSSA-N 411.501 5.473 0 1 HKAF O=C(Nc1ccc(Oc2ccnc3ccsc23)c(F)c1)N[C@H]1C[C@@H]1c1ccccc1 35860740 ZCYRUSHHGCLGOQ-APWZRJJASA-N 419.481 5.905 0 1 HKAF Fc1ccc(CCN2CCN3C[C@H]2CC[C@H]3C(c2ccccc2)c2ccccc2)cc1 36271471 ASCHJKMZVWSSIF-SXOMAYOGSA-N 414.568 5.349 0 1 HKAF CSc1ccc(/C=C2\C=C([C@@H](O)c3ccc(SC)cc3)c3ccccc32)cc1 36382753 XDKKGOJOEQYOES-UGOOHZPOSA-N 402.584 6.802 0 1 HKAF COc1ccc(-c2nnc3c(/C=C/c4ccc(Cl)cc4)nc4ccccc4n23)cc1 40895524 LTZDBBUZMCRQPL-OVCLIPMQSA-N 412.880 5.777 0 1 HKAF C[C@@](O)(c1ccccc1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C 43204842 AQSSOHCJSACXEG-AYRHNUGRSA-N 402.513 5.800 0 1 HKAF O[C@@H](CNCc1ccccc1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 45371270 NSQSXKXTVAETFT-INIZCTEOSA-N 414.349 5.096 0 1 HKAF Clc1ccc(Nc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)cc1 66166383 RMQBMIMGNVHLFH-UHFFFAOYSA-N 408.009 7.665 0 1 HKAF Fc1ccccc1-c1nc(NC[C@@H]2CCCO2)ncc1-c1nc2ccccc2s1 82175569 XLXZHEGOVHWYBS-AWEZNQCLSA-N 406.486 5.150 0 1 HKAF C[C@@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2ccccc2c1 84688327 VOYFTHFAUKEHIR-GFCCVEGCSA-N 411.345 6.368 0 1 HKAF CCCCC(=C(c1ccccc1)c1ccccc1)c1ccc([S@@](C)(=O)=NC#N)cc1 95557740 OZKXAKVBSKAJOZ-SSEXGKCCSA-N 414.574 6.774 0 1 HKAF Fc1ccc2c(CCCCN3[C@H]4CCC[C@H]3c3c([nH]c5cccc(F)c35)C4)noc2c1 100758100 RVCVITJTEQPETF-AOMKIAJQSA-N 421.491 6.062 0 1 HKAF Cc1nn(-c2ccc3c(c2)Nc2ccccc2S3)c2c1[C@H](c1ccccc1)NC(N)=N2 103238783 UCTBIIMOAMVJKS-QFIPXVFZSA-N 424.533 5.028 0 1 HKAF COc1ccccc1-c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1 143670689 QYIZJGYLXWBEQQ-UHFFFAOYSA-N 421.456 5.657 0 1 HKAF C[C@@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(CCc3ccccc3)C[C@@H]12 169373626 MEFBNOXISJBUAP-CDXJDZJCSA-N 412.499 6.027 0 1 HKAF Oc1csc(N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccc(F)cc2)n1 169726302 CIIDMOCYZAQMCR-INIZCTEOSA-N 418.291 5.106 0 1 HKAF CCOc1cc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1 223864184 YKMKVAXVLCAZKX-DEOSSOPVSA-N 400.478 5.611 0 1 HKAF Cc1ccccc1-c1nc(CN2CCC[C@H](C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)C2)c(C)o1 250999022 VUWRBUAIYNWXQK-HCOVKFPFSA-N 423.601 5.111 0 1 HKAF CC(C)=C1CC[C@]2(C)[C@@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12 255201672 CBZFLMNNXKRPHN-OERMUJMKSA-N 410.730 9.198 0 1 HKAF CC(C)[C@H]1CCC2=C3C=C[C@@H]4[C@@]5(C)CCCC(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]21C 255271514 UIYGWCYYBGLGBF-DBZOEALFSA-N 408.714 8.974 0 1 HKAF CCN(CC)CCOc1ccc(NC(=O)c2cccc(-c3cccc(O)c3)c2)cc1F 299858987 UVNBAMGRKKPWRZ-UHFFFAOYSA-N 422.500 5.171 0 1 HKAF Cc1ccc2nc(-c3ccc(NCc4cn(-c5ccc(F)cc5)nn4)cc3)sc2c1 473154742 LDHOTQSMLHIREO-UHFFFAOYSA-N 415.497 5.604 0 1 HKAF Fc1cc(Cl)cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 586966138 GYCNRMIVDUEPPP-UHFFFAOYSA-N 413.909 5.165 0 1 HKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(Cl)cc(F)c2[nH]1 586981432 CLPGEFUKOCCHNU-ZDUSSCGKSA-N 409.730 6.490 0 1 HKAF Clc1ccccc1-c1nc(-c2nc3ccc(I)cc3[nH]2)co1 587060404 DZHTZMLQTRHRDG-UHFFFAOYSA-N 421.625 5.143 0 1 HKAF Clc1cccc(-n2nc(-c3nc4cc5ccccc5cc4[nH]3)cc2-c2ccco2)c1 587068755 YGFSFLHETPNDMZ-UHFFFAOYSA-N 410.864 6.482 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(C)c(C)c4[nH]3)c(Cl)cc12 587078459 RUDWMNAOBCESJS-AWEZNQCLSA-N 410.901 6.032 0 1 HKAF Fc1cc(Cc2nc3c(Cl)c(Br)cnc3[nH]2)ccc1-c1ccccc1 587144787 AGXWNWQWLBRWDI-UHFFFAOYSA-N 416.681 5.771 0 1 HKAF Cc1cc(C)c2[nH]c(-c3ccc(Oc4ccc(F)cc4Br)nc3)nc2c1 587161636 ZGJQPKCRWHRTIV-UHFFFAOYSA-N 412.262 5.936 0 1 HKAF C[C@@]1(c2ccc3c(c2)CCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351800 HFPMALSJXNQVMR-RSXGOPAZSA-N 402.465 5.684 0 1 HKAF COc1cccc(-c2cc(-c3ccc4nc(O)[nH]c4c3)nc3c2oc2ccccc23)c1 587363955 UQJMYDAZHDRHSJ-UHFFFAOYSA-N 407.429 5.906 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)N(C(=O)OC(C)(C)C)c3ccccc31)O2 587393140 ZAFPNVDYZCOMDO-RUZDIDTESA-N 422.525 5.362 0 1 HKAF CCO[C@@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439573 BOVUICGWLUCQIF-NYMACZPPSA-N 400.474 5.116 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCC)(c1ccc(Br)c(C)c1)CC2=O 587456996 UHIKMKKMBORTBD-QFIPXVFZSA-N 417.343 6.076 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(OC(F)(F)F)cc1)(C(C)(C)C)CC2=O 587464912 YZNGTBURKPENBQ-QFIPXVFZSA-N 422.443 6.150 0 1 HKAF CC(C)[C@]1(c2ccc(OC(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510106 YTAYXMWTLWTJRB-QFIPXVFZSA-N 404.428 5.981 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1cc(F)ccc12 587572521 VSCWEYQYBAFOKV-ZEQKJWHPSA-N 410.400 5.417 0 1 HKAF C[C@@]1(c2ccc(Cc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603846 RWJBGYRXSCSYAP-NAKRPHOHSA-N 422.480 5.860 0 1 HKAF O=Cc1cccc([C@]2(C3CCCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587604211 VHOPHVZGAGJGNJ-BVAGGSTKSA-N 414.457 5.252 0 1 HKAF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 587629809 IQDBVDKGHCHPCK-UHFFFAOYSA-N 405.178 6.193 0 1 HKAF O=C(O)c1cccc2c([C@H](C(=O)O)c3cccc(F)c3)c(-c3ccc(Cl)cc3)[nH]c12 587637464 JPPIJZNBMKTODB-GOSISDBHSA-N 423.827 5.542 0 1 HKAF Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1Cl 587718856 OOTMBFCYDCQFJQ-YPMLDQLKSA-N 400.694 5.487 0 1 HKAF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1Cl 587721947 XDYQWVURLMQGDV-QPFGOUBPSA-N 402.666 5.013 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cccs2)N1 587732244 ITCSOTJEQLONQU-ODXCJYRJSA-N 420.322 5.615 0 1 HKAF Cc1ccc(-n2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c(C)c1 587753473 JDELSLHCKZCUFC-QRQCRPRQSA-N 413.334 5.619 0 1 HKAF COc1ccc(-c2cccc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c2)cc1O 587787751 XXJXCQVJAGEMEN-UHFFFAOYSA-N 416.424 6.223 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Nc1c(F)cccc1F 587856388 VQJJDKORZGDLGO-UHFFFAOYSA-N 412.223 5.614 0 1 HKAF C[C@@H](CCNCC12CC3CC(CC(C3)C1)C2)N=c1c(F)c[nH]c2cc(Cl)ccc12 653714171 KIHGALWXDRTVFU-KSKOPSKJSA-N 415.984 5.446 0 1 HKAF CCCCCCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3[C@H]1C2 653724712 ACIKAIVCJBOQAN-OAQYLSRUSA-N 411.542 5.024 0 1 HKAF CCCCc1ccc([C@]2(c3cccc(Cl)c3)NCCc3ccc(F)c(C)c32)cc1 962094481 SWDFADKTGJJWGU-AREMUKBSSA-N 407.960 6.568 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@@]1(C)c1cc(Cl)c(Cl)cc1F 962374175 OLVFTUTTYPJDKV-FQEVSTJZSA-N 409.357 5.854 0 1 HKAF COc1ccc2c(c1OC)[C@@](CC(=O)c1ccc(C)cc1)(C(C)(C)C)N(C)[C@H](C)C2 962574342 ULPLOEPOEMQKAS-DWXRJYCRSA-N 409.570 5.403 0 1 HKAF COc1cc2c(cc1OC)[C@H](c1ccc(OCc3csc(C)n3)cc1)N(C)[C@H](C)C2 962637375 WRQMMKMMBWJVNF-MYYSRTQBSA-N 424.566 5.014 0 1 HKAF CCCC[C@H](CC)CC[C@]1(CC(C)C)c2cccc(F)c2CCN1[C@H]1CCSC1 962699364 HERCSQZDIJTGHM-MCEYFSPLSA-N 419.694 7.427 0 1 HKAF Cc1ccc([C@@]2(C3CCCC3)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1C 962715899 PRLJNTIEVDYTAC-GJZUVCINSA-N 409.614 6.240 0 1 HKAF O=C(O)CCCCCC[C@]1(c2ccccc2)NCCc2c(Cl)cc(Cl)cc21 963103929 HBBWZATYYOUHTK-JOCHJYFZSA-N 406.353 5.808 0 1 HKAF Cc1cc2c(cc1O)[C@](C)(c1cc(Cl)ccc1Oc1ccccc1)N[C@H](C(=O)O)C2 963529868 ZKCCDWWXFAFWRJ-GBXCKJPGSA-N 423.896 5.009 0 1 HKAF COc1ccccc1CC[C@@H]1CN(Cc2c[nH]c3cc(F)ccc23)CCC1(F)F 1772589637 DRIVGIHQTXCIHN-GOSISDBHSA-N 402.460 5.406 0 1 HKAF CCc1ccccc1-c1c(Cl)cc(CNCCc2nc3ccccc3[nH]2)cc1Cl 1857541508 NIYHCLSRFWAFPP-UHFFFAOYSA-N 424.375 6.431 0 1 HKAF Cc1nnc2n1-c1ccc(Br)cc1[C@@H](Nc1ccc(Cl)cc1)CC2 1857544570 HPSDSCHZDSWQNW-INIZCTEOSA-N 403.711 5.091 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@@]4(C)C=C[C@@]3(CC[C@H]2[C@]1(C)C(=O)OC)C4 2356467413 PJWZGQUXXYMDML-ZZOIKMQESA-N 412.570 5.537 0 1 HKAF CC(C)CC[C@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356528964 NYZFLRDFXVCLQW-DWRTWQFQSA-N 416.646 5.827 0 1 HKAF CC(C)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356712328 ZCGQXKHIMLRISN-YNFCFVADSA-N 402.619 5.148 0 1 HKAF CC(=CCCC(C)=CCCc1ccoc1)CCC=C1CC[C@@H]([C@@H](C)C(=O)O)OC1 2356805279 ZRECXISCDXJZIP-QPPBQGQZSA-N 400.559 6.491 0 1 HKAF COCCc1ccc(O[C@@]2(C)CCN(Cc3ccc(OC)c4ccccc34)C2)cc1 61895374 FCSMMKDCYMVCGB-SANMLTNESA-N 405.538 5.081 0 3 HKAF COc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)OCO4)c3occc23)c(C)c1 61895680 CDTFPZYDIBRWTC-UHFFFAOYSA-N 401.418 5.398 0 3 HKAF COc1ccc(-c2nc3c4ccccc4ccn3c2Cc2cccc(F)c2)cc1OC 72140735 YCUWMXQQJPGXIK-UHFFFAOYSA-N 412.464 5.902 0 3 HKAF CC(C)c1ccc([C@@H]2O[C@@H](CCc3ccccc3)Cc3nc(S)nc(O)c32)cc1 169304264 MCFHAYGFDDXHBU-UGKGYDQZSA-N 406.551 5.258 0 3 HKAF O=C(NCCc1ccc(F)cc1)c1c(-c2ccccc2F)noc1-c1ccsc1 774990 KBPCHCPOXCTHHA-UHFFFAOYSA-N 410.445 5.321 0 1 HKAF Cc1cc2ncn(CC[C@H]3c4ccccc4COc4ccc(C(=O)O)cc43)c2cc1C 13727166 UBYQQXKRCPNDME-NRFANRHFSA-N 412.489 5.466 0 1 HKAF CCOC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C(C)(C)CC(C)(C)S3)cc1 25965534 JDLHMPAKFYRMTR-UHFFFAOYSA-N 412.555 6.059 0 1 HKAF Cn1cc(-c2ccc(Cl)cc2)c([C@H](c2ccc(Cl)cc2Cl)n2ccnc2)c1 26658854 BKAGEDZBILNZHR-NRFANRHFSA-N 416.739 6.487 0 1 HKAF COC(=O)c1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 26955614 YLJYNULWKXBAGQ-DNQXCXABSA-N 417.480 5.339 0 1 HKAF S=C(NCc1ccccc1Cl)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 28709448 KNAUQCVETSFAIZ-QFIPXVFZSA-N 405.954 5.566 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cn1cnc2c1C(=N)NCN2C 28816848 RDCMSURMDAINGR-MLAGYPMBSA-N 423.649 6.351 0 1 HKAF CO[C@H](C)c1cc(F)cc2c1[C@@H](Cc1ccc(Cl)cc1)C1=C2CC[C@@H]1CC(=O)O 28821751 ZUKZYOZCSCWGNS-VWLHBSKXSA-N 414.904 6.165 0 1 HKAF CCCCN(CCCC)CCCCOc1ccc(/C=C/c2nc3ccccc3o2)cc1 29476279 MLWWLQOUBGZQBT-OBGWFSINSA-N 420.597 7.059 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC(CO)CO 32840864 NPZWSBAEZZLYQU-WMPRHZDHSA-N 404.591 5.585 0 1 HKAF endogenous,in-man Cc1ccc(Oc2cccc(CN3CCN(C(=O)Nc4ccccc4)CC3)c2)cc1 38279817 OMBKKJNDLJGHQA-UHFFFAOYSA-N 401.510 5.137 0 1 HKAF Cc1cccc(C)c1/C=C/n1cnc2c(Nc3ccc(P(C)(C)=O)cc3)ncnc21 43199744 RFSFIDGEFVXSQM-OUKQBFOZSA-N 417.453 5.063 0 1 HKAF Cc1ccc(C(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CCC(=O)N[C@@]5(C)CC[C@@H]43)C2)cc1 49807865 UPUQMXLGLUDMJX-SXUTZIHKSA-N 421.581 5.352 0 1 HKAF CCCCNc1ncc(C(=O)N(CC)Cc2cccc(C)c2)c(-c2ccccc2F)n1 82151340 GCRQVTUYVIWKNH-UHFFFAOYSA-N 420.532 5.465 0 1 HKAF FC(F)(F)Oc1ccc(CNc2cc(-c3cccc(-c4ccccc4)c3)ncn2)cc1 82160804 BSVHUGFXGLFOGJ-UHFFFAOYSA-N 421.422 6.321 0 1 HKAF C[C@](O)(CCCCCCCCCCCCc1ccccc1)C[C@]1(C)OC(=O)C[C@@H]1O 96086024 APUHCCTYZGXKTG-RNXOBYDBSA-N 418.618 5.728 0 1 HKAF in-vitro CCc1cccc(CC)c1-c1cc(C)c2c(n1)CCN(c1cc(C(C)C)ccc1C)C2 146938510 AUNWKVLZWRYEBY-UHFFFAOYSA-N 412.621 7.176 0 1 HKAF O=S(=O)(c1ccc(Cl)cc1)c1sc2ncccc2c1-c1ccccc1Cl 149344065 OXTKTKRROJMWMP-UHFFFAOYSA-N 420.342 6.103 0 1 HKAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1nc2cc(C)ccc2n1C 169722386 DGMFFGXXSQCNDK-NHCUHLMSSA-N 424.335 5.864 0 1 HKAF c1ccc(C2=NN=C(c3ccccn3)[C@@H]3[C@@H]4C[C@@H]([C@@H]23)[C@H]2[C@@H]3C[C@H](c5ccccc53)[C@H]42)nc1 195254024 QAEQEAQDVFBXJR-QBMJXBOQSA-N 416.528 5.083 0 1 HKAF COc1ccc(Oc2cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)[nH]nc3n2)cc1 204811177 PPEKDYIEZYPINB-UHFFFAOYSA-N 424.460 5.800 0 1 HKAF Clc1ccc([C@H](c2ccc(OCCN3CCCCC3)cc2)c2cccs2)cc1 206289792 MBOIVZVEMKDDBY-XMMPIXPASA-N 411.998 6.446 0 1 HKAF C[C@H](CN1CCCC[C@H]1CC1CCCCC1)c1cccc([C@@H](O)c2ccccc2)c1 253634497 OSWZXLQHCUXZDR-WWEDSPNTSA-N 405.626 6.697 0 1 HKAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]([C@]3(C)CC[C@H](O)O3)CC[C@]21C 255218771 HULQRMIJNLRJDC-AYWQKSBPSA-N 402.663 6.949 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 255222880 KLVOVVGNJIYRRP-YPKLENTPSA-N 412.702 7.801 0 1 HKAF CC(=O)c1ccc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2c1 587022136 VSKFFNRJOYXBJJ-UHFFFAOYSA-N 411.490 5.695 0 1 HKAF O=C(Nc1sc2c(c1-c1nc3cc(CO)ccc3[nH]1)CCC2)c1ccccc1Cl 587030867 LUCMCYTZVDWXNJ-UHFFFAOYSA-N 423.925 5.178 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2c(F)cnc(Cl)c2[nH]1 587035018 SIRMYZXJXDTXBL-LBPRGKRZSA-N 402.882 5.236 0 1 HKAF COc1cc(/C=C/c2nc3cnc4ccccc4c3[nH]2)cc(Cl)c1OCC(C)C 587046996 QYVSHOHVPCWNPP-CMDGGOBGSA-N 407.901 5.978 0 1 HKAF CC(C)(C)c1cccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 587055678 JSQVRNAGSNRPLJ-UHFFFAOYSA-N 415.320 7.006 0 1 HKAF Nc1ccc(-c2ccc3nc([C@@H]4CCCN4Cc4ccc(Cl)cc4)[nH]c3c2)cc1N 587075261 HCMJLCDGTYWEAK-QHCPKHFHSA-N 417.944 5.385 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1 587133780 CKFPFQROPFOWEV-UHFFFAOYSA-N 402.372 5.306 0 1 HKAF CCOC(=O)Cc1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587151444 YNWLPKMCAYJLBL-QHCPKHFHSA-N 403.457 5.009 0 1 HKAF Fc1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1F 587179331 UQPCBNXIKGTXPH-UHFFFAOYSA-N 424.110 5.132 0 1 HKAF CCCCOc1cc2nc(Cc3cccc(NC(C)=O)c3)[nH]c2cc1Br 587242861 VZBBFEILFODVIO-UHFFFAOYSA-N 416.319 5.054 0 1 HKAF CCOC(=O)C(CC)(CC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347043 KUEXIVVPIAHHCD-REWPJTCUSA-N 414.473 5.018 0 1 HKAF COC(=O)c1ccc(-c2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)c(F)c1 587385492 OJJGZHGLYPYXDU-VWLOTQADSA-N 419.452 5.051 0 1 HKAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccccc1C 587400588 RBVQMBDIOFAGOG-XMMPIXPASA-N 403.478 5.180 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(-c3ccc(Cl)cc3)oc1C)CC2=O 587460937 JKKHPSVTHVXUQK-XMMPIXPASA-N 410.897 6.447 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C=O)c(OC)c3)cc1)CC2=O 587475511 ADKPFLVTCWTLOR-VWLOTQADSA-N 416.473 5.539 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2Oc2ccc(C(=O)O)cc21 587481216 ASUDEDIBFYKEBL-RUZDIDTESA-N 416.429 5.058 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(C(=O)OCC)[nH]c3ccc(C)cc13)CC2=O 587481566 GRZVKMMKWOMUJY-FQEVSTJZSA-N 407.466 5.018 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cccc4ccccc34)cc1)CC2=O 587486202 XCDUUZWDESRPCP-MHZLTWQESA-N 408.497 6.871 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)C(C)(C)c1ccccc1-3)CC2=O 587488724 LPEDQPFBLDJPRZ-MUUNZHRXSA-N 412.529 6.532 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H]1CCCc3ccccc31)CC2=O 587491708 YPXCQKYKGSKADL-YWEHKCAJSA-N 412.529 6.326 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1sccc1NC(=O)OC(C)(C)C)CC2=O 587494326 LANPAKMFWZPYGD-QGZVFWFLSA-N 403.500 5.460 0 1 HKAF C[C@]1(c2cccc(CCC(F)(F)F)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587497715 GFEAOCLYQSMFNX-JOCHJYFZSA-N 406.419 6.080 0 1 HKAF O=C1C[C@@H](c2ccccc2Oc2ccc(F)cc2Cl)Oc2c1ccc1c2CCCC1 587504105 MORKOWTYTMSLIG-DEOSSOPVSA-N 422.883 6.857 0 1 HKAF COc1cc(F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587505189 LKOHIDUWLBCSCB-SFHVURJKSA-N 405.263 5.182 0 1 HKAF CC(C)(C)OC(=O)NC[C@@H]1CCCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587511722 NCYYGACXFLJKBJ-AVRWGWEMSA-N 413.558 5.374 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1COc1ccccc1 587595312 RFBTUAWDQCXZNU-IGKIAQTJSA-N 424.452 5.674 0 1 HKAF CCOc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(C)C 587596058 MZWQYGPTWPUJDW-JYFHCDHNSA-N 418.489 5.926 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(N2CCCCC2)c1 587597015 TZPCBRZEWNSUQF-RCZVLFRGSA-N 401.462 5.085 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1-c1ccsc1 587616541 DLKOHXDWADFLKH-XXBNENTESA-N 401.443 5.219 0 1 HKAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cc1ccc(Cl)c(Cl)c1 587621366 CCKWSWUWPJHWTO-UHFFFAOYSA-N 409.114 6.013 0 1 HKAF O=C(c1ccc(F)cc1)c1c(C(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 587622258 HGEXMQROBNJHPT-UHFFFAOYSA-N 408.177 5.114 0 1 HKAF O=C(c1c(-c2cc(Cl)ccc2Cl)[nH]c2ccc(F)c(Cl)c12)C(F)(F)F 587628755 OWGSXQXDXXXGHZ-UHFFFAOYSA-N 410.581 6.679 0 1 HKAF CC[C@@]1(c2ccccc2C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587710023 DWVPKPNWIXSNOQ-VOJFVSQTSA-N 416.256 5.795 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C(F)(F)F)c2F)N1 587715203 XCJSPGJQMRAQEU-VPTHRUTESA-N 406.192 5.370 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2cccc(C(F)(F)F)c2)N1 587716399 VHHMKILNEPJCTA-VOJFVSQTSA-N 416.256 5.815 0 1 HKAF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1Cl 587721949 XDYQWVURLMQGDV-WNWIJWBNSA-N 402.666 5.013 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(C)c(Br)cc4[nH]3)c2)cc1O 587787258 TXFPQZOAXCUZKK-UHFFFAOYSA-N 409.283 5.682 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNc3cc4ccccc4cc32)N1 587789953 CFIMEIMCQBWRNB-DMZKTXOQSA-N 411.318 5.335 0 1 HKAF CC1=C(/C=C/[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)CCC1 587815062 KDWBNHZLDANXGM-GYQGMYKSSA-N 406.383 6.420 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCSc3ccc(Cl)cc32)N1 587855499 GKPZDIMPHRCZOB-MLCYQJTMSA-N 412.755 5.515 0 1 HKAF Fc1cccc(-c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2F)c1 587945850 RFXDNKJSWCDSGF-UHFFFAOYSA-N 407.463 7.757 0 1 HKAF Cc1ccccc1-c1ccc(Cc2nc3cccc(I)c3[nH]2)cc1 587960315 ZEGHFZPTQASILN-UHFFFAOYSA-N 424.285 5.734 0 1 HKAF CCCCCOc1cc2nc(/C=C(/C)CCC=C(C)C)[nH]c2cc1Br 587970161 ZBXIOCVUXIJJSH-VBKFSLOCSA-N 405.380 7.044 0 1 HKAF CCc1ccc2nc(-c3ccc(-n4nnc5cc(OC)ccc54)c(C)c3)sc2c1 653886007 UGEULGIBHWAOJP-UHFFFAOYSA-N 400.507 5.577 0 1 HKAF O=C(OCc1ccccc1)N1CC[C@H]([C@H]2NCCc3cc(-c4ccccc4)ccc32)C1 962664831 HSEGIXKUQKVKSH-AZGAKELHSA-N 412.533 5.199 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)c(C)c1[C@H]1NCCc2cccc(-c3ccccc3)c21 962670503 RCZCPGGHDLUKML-AREMUKBSSA-N 413.952 6.045 0 1 HKAF COc1ccc2c(OC)ccc([C@H]3c4cccc(F)c4CCN3[C@@H]3CCSC3)c2c1 962697801 GQJXBFIXCQZSAR-PUAOIOHZSA-N 423.553 5.449 0 1 HKAF Cc1cc(C)cc(CC[C@@]2(c3cc(C)ccc3C)NCCc3c2sc(C)c3C)c1 963010372 NPSXCSSNBPONSY-MHZLTWQESA-N 403.635 6.621 0 1 HKAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](CC[C@H]2C[C@H]3CC[C@H]2C3)N1 963184179 QRZYFGYWZDCBNQ-OGOCCKNVSA-N 401.856 5.215 0 1 HKAF Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc4ccoc4c3)cc21 1857745360 VRMCTHIBYGIXEY-UHFFFAOYSA-N 414.417 5.389 0 1 HKAF CC1=C[C@H](CNCC2CCCCC2)[C@@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 2356356248 KZTOZSHNNTXTQH-RBZQAINGSA-N 407.646 6.438 0 1 HKAF COc1ccc(C=C[C@@H]2C[C@@H](c3ccc(OC)cc3)Oc3cc(OC)ccc32)cc1 2356401135 UKDSXGUCSVQBKZ-NLFFAJNJSA-N 402.490 6.033 0 1 HKAF CC1(C)c2ccc3c(c2CC[C@@H]1O)CC[C@]1(C)[C@@H]2C[C@@](C)(CO)CC[C@]2(C)CC[C@]31C 2356427186 RLAPPWNRKMRMFF-NGIPZZCESA-N 424.669 6.080 0 1 HKAF C[C@@H]1Oc2c(c3c(c4oc(=O)cc(-c5ccccc5)c24)C=CC(C)(C)O3)[C@H](O)[C@H]1C 2356537912 KZWMARGPANIIPZ-DGCWBMGLSA-N 404.462 5.095 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356616376 UVNXFLZMQCAWCP-VMHGROOBSA-N 414.718 8.025 0 1 HKAF COc1ccc2c(=O)c3c(oc2c1)O[C@@](C)(CCC=C(C)CC=CC(C)(C)O)[C@H]3C 2356685740 CVQADAXRSHREJQ-GKVSMKOHSA-N 412.526 5.500 0 1 HKAF CC(C)=COc1c(-c2ccc(O)cc2)oc2cc3c(c(O)c2c1=O)C=CC(C)(C)O3 2356726352 YLIVUJCXSMCUEL-UHFFFAOYSA-N 406.434 5.358 0 1 HKAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)C3=CCN(CCS(=O)(=O)O)C=C3CC[C@@H]12 2356829589 JABAEWPMUOEDCX-IRMYBRCSSA-N 407.620 5.043 0 1 HKAF FC(F)(F)c1cc(CCN2CCNC[C@@H]2CC2CCCCC2)cc(C(F)(F)F)c1 61948893 WLEKQVJBUMHQCC-IBGZPJMESA-N 422.457 5.511 0 3 HKAF CC(C)(C)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(C(F)(F)F)cn12 95567650 MDKPPOFPFGYYFL-UHFFFAOYSA-N 401.259 6.916 0 3 HKAF O=C1CCC2(C[C@H]1CC(Sc1ccccc1)Sc1ccccc1)OCCO2 1860430 YDCZXBQZJYNXQQ-QGZVFWFLSA-N 400.565 5.400 0 1 HKAF CC(C)=CCc1cc([C@@H]2CC(=O)c3c(cc(O)c(CC=C(C)C)c3O)O2)ccc1O 5854689 WNEAAJKGMLICIY-QFIPXVFZSA-N 408.494 5.527 0 1 HKAF biogenic CCN(CC)CCOc1ccc(/C(=C/Cc2ccccc2)c2ccc(O)cc2)cc1 13605667 PTTNYJOCEDSWPD-ZXVVBBHZSA-N 401.550 5.787 0 1 HKAF Cc1ccc([C@@H]2CNC(=O)C23CCN(C2(c4ccc(F)cc4)CCCCC2)CC3)cc1 13982672 VCPCEUAIERDWJJ-DEOSSOPVSA-N 420.572 5.289 0 1 HKAF C[C@H]1C(=O)c2c(n(O)c3ccc(Cl)cc3c2=O)C[C@H]1c1ccc(C(F)(F)F)cc1 27089449 QLVIVHXZZLRTME-QMTHXVAHSA-N 421.802 5.070 0 1 HKAF CC1(C)[C@@H]2CC=C(CCN3CCC(NC(=O)Nc4ccc5ccccc5c4)CC3)[C@H]1C2 28708660 ZWEFOCKTWYGPJI-RCZVLFRGSA-N 417.597 5.808 0 1 HKAF C[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3[C@]23CCN(CC2CC2)[C@@H](C4)[C@H]13 29398825 KVTPARWKGZYKAU-XXEVQNHBSA-N 412.533 5.019 0 1 HKAF COc1ccc([C@]2(Cc3ccccc3)C(=O)Nc3ccccc32)cc1OC1CCCC1 29472108 UXJYPKXCCYKLDR-MHZLTWQESA-N 413.517 5.498 0 1 HKAF Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12 36176960 OSIDXFCEXZWGRW-UHFFFAOYSA-N 411.387 5.475 0 1 HKAF Cc1cc(C)cc(-c2nn3c(-c4cc(Cl)cc(Cl)c4Cl)nnc3s2)c1 40391453 RSEJZTSBPXGOGU-UHFFFAOYSA-N 409.729 6.097 0 1 HKAF CN(C)CCOc1ccc(C2=C(c3ccccc3)CCOc3cc(O)ccc32)cc1 40892310 ZVSVJIPBWXBVRP-UHFFFAOYSA-N 401.506 5.074 0 1 HKAF CC[C@H](C)CNC(=O)c1cncc(-c2cccc(CNCCCc3ccccc3)c2)c1 45302502 ZIABQEAGMLBOEY-NRFANRHFSA-N 415.581 5.247 0 1 HKAF O[C@H](CNc1ccccc1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 45388711 AQESSCKRZOFAEF-OAHLLOKOSA-N 400.322 5.418 0 1 HKAF O=C(O)c1ccccc1-c1ccc(CCc2ncc(Cc3ccccc3F)[nH]2)cc1 49089376 SEDKUKFPFUVSFM-UHFFFAOYSA-N 400.453 5.290 0 1 HKAF CC(=O)SCC[C@H](CCCCC(=O)Nc1ccc(Cl)cc1)SC(C)=O 49784209 VFLHKHWQIVHHKK-KRWDZBQOSA-N 401.981 5.157 0 1 HKAF Oc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccc(Cl)cc4)c3c2c1 49803668 YYAKDMWHJRPSLL-UHFFFAOYSA-N 401.849 6.586 0 1 HKAF N=C(N)C1(C(=O)Nc2ccc(CCCCCCCOCc3ccccc3)cc2)CC1 71316450 CZSGPHHHTXINHP-UHFFFAOYSA-N 407.558 5.051 0 1 HKAF Brc1cccc([C@@]2(Cc3ccccc3)c3ccccc3-c3nccn32)c1 72110157 LFQYXAFLCDMJKF-QHCPKHFHSA-N 401.307 5.661 0 1 HKAF O[C@@](c1ccc(C(F)(F)F)cc1)(c1cncc(Cl)c1)c1ccc(Cl)cc1F 72185881 FBTAEUCQSCHWAL-SFHVURJKSA-N 416.201 5.831 0 1 HKAF CC1CCN(C(=O)c2cnc(NCC3CCCCC3)nc2-c2ccccc2F)CC1 82152049 GFGSLAKDAYRDSY-UHFFFAOYSA-N 410.537 5.147 0 1 HKAF Cc1ccc(N2C(=O)[C@H](c3ccccc3Cl)C[C@@H](c3ccccc3Cl)C2=O)cc1 82156289 WHKQHRIDCOEQRX-PMACEKPBSA-N 424.327 6.133 0 1 HKAF Fc1ccccc1-c1nc(N2CCCC2)ncc1-c1ncc(-c2ccccc2)s1 82175507 ZKHXRHVZSQCSJB-UHFFFAOYSA-N 402.498 5.673 0 1 HKAF CC[C@H](C)Cn1c(-c2ccsc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82184998 FVDAZEMSJUHOKE-AWEZNQCLSA-N 411.962 5.866 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@@]12C 96095009 ZQIOPEXWVBIZAV-RSKDDJKESA-N 414.762 9.524 0 1 HKAF in-vitro C[C@@H](Cc1ccc(-c2ccccc2)cc1)SC(=O)[C@@H](C)NC(=O)Cc1ccccc1 103183767 HUDZJMOHGMGFNH-VQTJNVASSA-N 417.574 5.292 0 1 HKAF CC1(C)[C@H]2C[C@H]1CC[C@H]2CNc1cc(Oc2ccc3oc4ccccc4c3c2)ncn1 104930446 PLDJJORFZFHCHH-FVJLSDCUSA-N 413.521 6.653 0 1 HKAF C/C=C(/CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118915299 CQSRUKJFZKVYCY-PJERSVQRSA-N 414.718 8.025 0 1 HKAF in-vitro Cc1nc2cc(Cl)ccc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O 169335810 ZMERRKOMKGRIGF-FQEVSTJZSA-N 418.320 6.458 0 1 HKAF Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(-c3cccc(Cl)c3)no2)n1 203005510 UOGYXBROYMFJMW-UHFFFAOYSA-N 421.892 5.050 0 1 HKAF CCCCc1cc(=O)oc2cc(OCc3nc4cc(Cl)nc(Cl)c4[nH]3)ccc12 586918199 JZCPZJQTMFNONA-UHFFFAOYSA-N 418.280 5.293 0 1 HKAF Cc1ccc2c(ccc3nc(C[S@](=O)C(c4ccccc4)c4ccccc4)[nH]c32)n1 586960267 NVQWPJRJRXCYKR-PMERELPUSA-N 411.530 5.458 0 1 HKAF Cc1ccc(-n2ccnc2SCc2nc3cc(Cl)nc(Cl)c3[nH]2)c(C)c1 586967140 XBDBAIMDVFGSLJ-UHFFFAOYSA-N 404.326 5.360 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1cc(Br)ccc1C4)-c1ccccc1C2=O 586992639 FJFVPPMDNQNVKH-UHFFFAOYSA-N 412.286 6.088 0 1 HKAF O=C(O)Cc1c(-c2ccc(Cl)s2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586994232 QWGLGMSJPDCVHE-UHFFFAOYSA-N 421.861 5.161 0 1 HKAF COc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1OC(F)F 586995486 LGEFGORLOOQYGN-UHFFFAOYSA-N 417.411 6.032 0 1 HKAF Sc1nc(S)c2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2n1 587015304 LANDWYDPRQMPTP-UHFFFAOYSA-N 412.352 5.028 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(O)cc5Cl)[nH]c4c3)o2)cc1 587056077 YRNXTZQRCNTHCW-UHFFFAOYSA-N 418.840 5.315 0 1 HKAF COc1cc2nc(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)[nH]c2cc1OC 587083163 IOEDTJJXJRTWQU-UHFFFAOYSA-N 419.868 6.017 0 1 HKAF Cc1oc(-c2ccccc2)nc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098398 USFFDSYBGRFFEB-UHFFFAOYSA-N 402.453 6.385 0 1 HKAF FC(F)(F)c1ccc(Oc2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cc1 587114192 QFPQYXJLLMZQRD-UHFFFAOYSA-N 422.328 7.060 0 1 HKAF Fc1ccc(F)c(SCc2cccc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c2)c1 587140938 JZLCHLQSPFFUQJ-UHFFFAOYSA-N 422.287 6.502 0 1 HKAF Cc1c(Br)ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587152834 SGFPVLKGHMWRKA-FQEVSTJZSA-N 410.290 5.974 0 1 HKAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587201131 GWRLIYSLSPRBKD-UHFFFAOYSA-N 419.875 5.816 0 1 HKAF CC[C@@]1(c2cc(F)c(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335134 PZRBVHPAAMKCRZ-GMAHTHKFSA-N 416.370 5.613 0 1 HKAF Cn1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587342682 PBCAFXUVQWFPEO-ILBGXUMGSA-N 401.437 5.297 0 1 HKAF CCOC(=O)C(CC)(CC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347041 KUEXIVVPIAHHCD-NZQKXSOJSA-N 414.473 5.018 0 1 HKAF CC(C)(C)[C@@]1(CC2CCCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357503 UTNMVDUWELBMQM-BVAGGSTKSA-N 410.529 6.646 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(Cl)cc(C(F)(F)F)cc1Cl)O2 587383560 YUKPFKDOPASHSS-KRWDZBQOSA-N 404.215 5.783 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(NC(=O)C(C)(C)C)c(Cl)n1)CC2=O 587460911 LBXXOLKHGLIRLP-SFHVURJKSA-N 416.905 5.084 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)OC(C)(C)C)c1)CC2=O 587471617 URUPWTVQHWOMTL-DEOSSOPVSA-N 411.498 5.572 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]31)CC2=O 587483465 CNKNKFQYLQXPNW-SZEHJLNQSA-N 419.565 5.371 0 1 HKAF O=C1C[C@@](c2ccccc2)(c2cc(Cl)ccc2Cl)Oc2c1ccc1c2CCCC1 587506652 NTKGUFDFKCTOKO-RUZDIDTESA-N 423.339 6.781 0 1 HKAF Cc1[nH]c2ccccc2c1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587521857 DECBLVHRFIUENT-MUUNZHRXSA-N 407.513 6.264 0 1 HKAF O=C1C[C@@]2(CC[C@@H](c3ccccc3)c3ccc(O)cc32)Oc2c1ccc1c2CCCC1 587529392 BFPCWYQFSDSJKK-RBTNQOKQSA-N 410.513 6.057 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2cccnc2)cc1 587589241 WNYLVWHUZSCDRS-RDGATRHJSA-N 411.413 5.282 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(OC(F)F)c3)c(C(=O)C(F)(F)F)c2c1 587641139 KNDCQKDOLOTVBH-NSHDSACASA-N 411.370 6.695 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CCC(F)(F)F)c2)N1 587708952 GOQOHYXKXGOGCG-ADLMAVQZSA-N 416.256 5.707 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nc3ccccc3n2C(F)F)N1 587715595 HZCOBLDEDZYONB-APBUJDDRSA-N 424.264 5.131 0 1 HKAF Cc1ccc(C)c(-n2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 587752398 DAPWSKKOSZHZBD-QRQCRPRQSA-N 413.334 5.619 0 1 HKAF CCCCn1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 587754907 FJZJJWVMVBFYRF-XCLFUZPHSA-N 416.338 5.362 0 1 HKAF Cc1ccc(-c2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)no2)cc1 587790989 DVSOHUNLQKDEQT-FKIZINRSSA-N 401.279 5.175 0 1 HKAF CCCCCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587797990 WWASPVHWWOKRNS-QRQCRPRQSA-N 420.366 6.171 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](c3ccccc3)C[C@@H](C)C2)N1 587818053 PCLBGBVKTDAWPX-ORENWSFKSA-N 402.351 5.922 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC2(O)CCCCC2)(C(C)(C)C)N1 587819916 CCOIVYNXJSFMMW-SZNDQCEHSA-N 412.387 5.449 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccccc3)o2)N1 587827195 IHPYFCOXJHIMMQ-LRTDBIEQSA-N 416.290 5.384 0 1 HKAF Cc1ccc([C@@]2(c3ccco3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587831928 YTCHPSUVQOVSOX-QRQCRPRQSA-N 414.318 5.624 0 1 HKAF Cc1ccc([C@@]2(CCc3ccc(C)c(C)c3)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962911097 ORTGMHFKEZTZTC-AHKZPQOWSA-N 417.524 5.226 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(C)c(C)c2)(c2ccccc2Cl)N1 962953834 WLIOSRGYOFMLOL-CCLHPLFOSA-N 414.980 6.654 0 1 HKAF Cc1cccc(C)c1[C@@]1([C@H]2CC[C@H](C(=O)O)CC2)c2ccc(F)cc2C[C@@H]2CCCN21 963096220 CZLFRFNSZUCCFH-FWADJWPSSA-N 421.556 5.598 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCCC(=O)O)c1ccc(Cl)cc1OC 963228257 LFROWWBBACKQEP-OSPHWJPCSA-N 415.961 5.504 0 1 HKAF C[C@H]1c2ccccc2N(Cc2ccc(F)cc2)C[C@@H](C)N1C(=O)Nc1cccnc1 1772580089 WSYFANUYDGMCEA-MSOLQXFVSA-N 404.489 5.225 0 1 HKAF COc1cc(/C=C/c2ccc(NC(=O)/C=C/c3ccc(F)cc3F)cc2)cc(OC)c1 1772641558 SISOFYSKJGCVSU-ALUKSYHCSA-N 421.443 5.804 0 1 HKAF Cc1cc(-c2ncc(CNC(=O)c3ccc4c(c3)Cc3ccccc3-4)cc2F)ccn1 1772649714 TUMHUJUTBSNGPC-UHFFFAOYSA-N 409.464 5.092 0 1 HKAF Clc1ccc([C@H]2N=C(c3ccccc3)c3cc(Cl)ccc3-n3cnnc32)cc1 1857768984 JYEBPZBWRDTBCF-OAQYLSRUSA-N 405.288 5.515 0 1 HKAF COc1cc2c(c(O)c1OCC=C(C)CCC=C(C)CCC(=O)C(C)C)COC2=O 2356348981 NZWARRNVJMJZTP-UHFFFAOYSA-N 416.514 5.128 0 1 HKAF C[C@@H]1CC[C@]2(NC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 2356460028 HOEJSFZVOUECLS-DWIBVDALSA-N 414.678 5.333 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C=C2C(=O)O[C@H](c3ccoc3)C[C@@H]2[C@]2(C)CCCC(C)(C)[C@@H]12 2356467928 KNVFODWKKUZNMG-JJQOCIJLSA-N 412.526 5.534 0 1 HKAF CC(=CCO)CCC1=C(C)[C@H](O)[C@H](OC(=O)CC(C)C)[C@@H]2C(C)(C)CCC[C@]12C 2356471097 KLRYQYMRBCEOHD-LYGMZBLVSA-N 406.607 5.187 0 1 HKAF C=CC(C)=CCCC(C)=Cc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)co1 2356478634 LHNJCZMEVNRERC-UHFFFAOYSA-N 404.554 5.553 0 1 HKAF CC(C)(CO)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cccc2ccccc12 773669 VFSBUACDKNEOLO-UHFFFAOYSA-N 418.468 5.049 0 1 HKAF Cc1ccc(S(=O)(=O)N2c3ccccc3[C@H]3CCc4c([nH]c5ccccc45)[C@H]32)cc1 1858501 ACCIDPZVPHFIQC-BWKNWUBXSA-N 414.530 5.456 0 1 HKAF COc1cc(O)c(C)c(O)c1C(=O)[C@H]1CC=C(CCC=C(C)C)C[C@@H]1c1ccccc1 13410470 DJCRMQTYRMUEBG-FCHUYYIVSA-N 420.549 6.464 0 1 HKAF biogenic Cc1ccc2c(ncn2C/C=C2\c3ccccc3COc3ccc(C(=O)O)cc32)c1C 13727138 CFPIKWQPTHKZNA-SRZZPIQSSA-N 410.473 5.376 0 1 HKAF Cc1ccc(OCc2sc3ccccc3c2CCN2CCC(N(C)C)CC2)cc1 27546531 QBNZAJFXHNOFHJ-UHFFFAOYSA-N 408.611 5.357 0 1 HKAF O=C1c2ccccc2[C@](OCCc2ccccn2)(c2ccccc2)N1Cc1ccccc1 28135924 KWLRZJKLHWLXRL-MUUNZHRXSA-N 420.512 5.198 0 1 HKAF O[C@H]1CCc2c(Cl)ccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2C1 29127332 DJTKBJVKWXYQKY-AWEZNQCLSA-N 419.834 5.409 0 1 HKAF CCOC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)c2ccc(Cl)cc2)c1 29333529 MJVQGDCOEQQZCL-UHFFFAOYSA-N 400.906 5.376 0 1 HKAF COC(=O)/C=C/C[C@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 29416947 NMFHEHBJCPXSJD-WUTDNEBXSA-N 405.494 5.522 0 1 HKAF O=C(NCCCCc1cccnc1)c1ccc(-c2ccccc2)c(-c2ccccc2)c1 29483731 ZQTHDQHYTXCPOD-UHFFFAOYSA-N 406.529 6.168 0 1 HKAF O=C(Nc1cc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12)c1ccccc1 40404847 ZVJJVYNSSWTWIU-UHFFFAOYSA-N 408.288 6.538 0 1 HKAF O=C1O[C@@H](O)C(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)=C1Br 40950411 GHKUUZLKXKZZQA-OAQYLSRUSA-N 407.263 5.002 0 1 HKAF C[C@@H](Nc1nccc(/C=C/c2c(-c3ccccc3)nc3sccn23)n1)c1ccccc1 40979626 WKBACBJIPAQRKE-QFQMRYFISA-N 423.545 6.196 0 1 HKAF CN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC12CCCCC2 59940979 KDDUICUDCSCLSK-VWNXMTODSA-N 412.980 6.006 0 1 HKAF COc1cc(Nc2nc3c(s2)CCC[C@@H]3c2ccccc2)ccc1-c1cnn(C)c1 73158057 PYFJTKHXSSJANR-HXUWFJFHSA-N 416.550 5.764 0 1 HKAF Cc1cc(C(=O)NC2CC2)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)oc12 73159607 IGWYGIMQUPWOGE-UHFFFAOYSA-N 405.885 5.199 0 1 HKAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccccc3F)n2)C1 82150989 XQXWKNBREYZMHA-WYADAEROSA-N 424.564 5.074 0 1 HKAF Nc1c2c(nc3c1[C@H](c1ccc(F)cc1)c1c(c4ccccc4oc1=O)O3)CCCC2 96284151 DHAXWBWQDZCBTC-IBGZPJMESA-N 414.436 5.074 0 1 HKAF Cc1cc(C)c(Oc2cc(Nc3ccc(Br)cc3)nc3ccnn23)c(C)c1 169308820 RZMXRCFAAJREMJ-UHFFFAOYSA-N 423.314 5.953 0 1 HKAF CC[C@H]1CN(Cc2cccc(O)c2)CC[C@@H]1CCCc1ccnc2ccc(O)cc12 206887938 FOCGZQUDLYRRTE-SFTDATJTSA-N 404.554 5.517 0 1 HKAF O[C@H](C[C@@H]1CCCCN1)[C@H]1CC(c2ccccc2)=Nc2c(Cl)cc(Cl)cc21 221613469 CPJBOOQQIJJGOX-XGHQBKJUSA-N 403.353 5.495 0 1 HKAF CC(=O)O[C@H]1[C@H](CCCCCCCCCCCCC2=C[C@H](C)OC2=O)C(=O)O[C@@H]1C 238744489 FXNASNSEMIBZQX-GKJHBJHPSA-N 422.562 5.033 0 1 HKAF COC(=O)[C@H]1[C@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(OC)cc2)s1)C3 253701926 MJYUGDRYDHXYRF-KLORZZTRSA-N 423.578 5.101 0 1 HKAF O=C(O)/C=C/c1ccc(OC(=O)CCc2ccccc2)c(OCc2ccc(F)cc2)c1 299819116 BFYIFNAOEBSSJP-NTEUORMPSA-N 420.436 5.041 0 1 HKAF CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCOc1ccc(C(=O)O)cc1 299849696 SGRGPOIYMVSOAA-VXNXHJTFSA-N 418.662 8.229 0 1 HKAF CCc1cccc(NC(=O)c2cccc(N3CCc4c(cnc5ccccc45)C3)c2)c1 584592285 KEEIRMQARFTFFT-UHFFFAOYSA-N 407.517 5.612 0 1 HKAF Oc1c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)ccc2c1CCCC2 586897793 JVUQIHBOFIHQIW-UHFFFAOYSA-N 411.221 5.596 0 1 HKAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 586916225 LKYYUIPKWNELGY-DJJJIMSYSA-N 419.706 5.195 0 1 HKAF COc1cc(OC)c2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2c1 587012622 ZMPQWGMIJIDPEU-UHFFFAOYSA-N 422.531 6.347 0 1 HKAF c1ccc(COc2ccc3nc(-c4ccccc4OCc4cscn4)[nH]c3c2)cc1 587029953 VLQLKKQOMCAXMV-UHFFFAOYSA-N 413.502 5.844 0 1 HKAF COc1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2cc1F 587068235 NAFMUFGPCCPNOZ-UHFFFAOYSA-N 408.820 5.477 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Cl)cc(F)c2[nH]1 587070547 HPUVFOWEVOSHIB-XAMKJOQJSA-N 409.719 7.028 0 1 HKAF Clc1cccc(-c2cc(-c3nc4c(Cl)cc(Br)cc4[nH]3)n[nH]2)c1 587071571 PEMJQBJRSUQHIH-UHFFFAOYSA-N 408.086 5.689 0 1 HKAF N[C@H](N=O)c1ccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2c1 587082444 OLBVZXIWBJEJGI-JOCHJYFZSA-N 413.868 5.822 0 1 HKAF N[C@@H](N=O)c1ccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2c1 587082445 OLBVZXIWBJEJGI-QFIPXVFZSA-N 413.868 5.822 0 1 HKAF FC(F)(F)Oc1cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2cc1Cl 587083763 KFDCEMLVZQDHPR-UHFFFAOYSA-N 424.209 6.497 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1[nH]c3cc(N)ccc3c1CC4)-c1ccccc1C2=O 587096408 JQVVFUSANFFKJY-UHFFFAOYSA-N 401.469 5.584 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(OC4CCCCC4)c(F)c3)nc3cccc1c23 587104070 RHNOXLKGSTVXOK-UHFFFAOYSA-N 423.487 6.964 0 1 HKAF FC(F)(F)Sc1ccc(/C=C/c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 587124032 HQPCGKYIBGRHBS-ZZXKWVIFSA-N 424.757 5.759 0 1 HKAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)cc2N1 587125903 HJKKBCDIXSCTCP-JVXZTZIISA-N 421.370 5.346 0 1 HKAF CC(C)CCOc1cc2nc(COc3ccc(F)cc3)[nH]c2cc1Br 587168772 LWIRUWANPLNWEY-UHFFFAOYSA-N 407.283 5.468 0 1 HKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(Br)ncc2[nH]1 587247963 ZXJRKKBOPJZQEO-UHFFFAOYSA-N 409.287 5.135 0 1 HKAF Cc1nc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2o1 587348298 RFIGHHCQBCVDCG-XUZZJYLKSA-N 403.409 5.255 0 1 HKAF CC[C@@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353762 MAZULSNGQUZXFF-VNMOZLCPSA-N 420.524 6.255 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-c3ccc(Cl)c(Cl)c3)cc1)O2 587375390 MCHJGMPMQQNYQT-QHCPKHFHSA-N 412.316 6.432 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3c(Br)cccc31)CC2=O 587458839 LRXMWSJBZXIOAQ-NRFANRHFSA-N 401.300 5.304 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCC=CCCCCCCCCCC1)CC2=O 587485437 VKLRLZNWGCGZMR-MHZLTWQESA-N 412.614 7.690 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Sc1ccc(Cl)cc1)CC2=O 587489060 ARJKARLJHHTYJT-JOCHJYFZSA-N 424.949 6.856 0 1 HKAF CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)cc1O 587498474 HPTUHOXJXUJTAA-IBGZPJMESA-N 417.299 5.139 0 1 HKAF CN(C)c1cc(Br)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587506957 ZLNIMPIEMWKFCD-FQEVSTJZSA-N 400.316 5.100 0 1 HKAF Cc1c(C)c2ccc(OC[C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2oc1=O 587533858 XFUJOUCLOLUOFI-SANMLTNESA-N 418.489 5.092 0 1 HKAF C[C@]1(Cc2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549088 PUZWPANHAGEQIM-DENIHFKCSA-N 414.379 5.374 0 1 HKAF C[C@]1(c2ccc3c4c(cccc24)CC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600703 BVXHALIGVPNXPA-SHQCIBLASA-N 408.453 5.521 0 1 HKAF Cc1ccc(O)c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587608238 KNZGHSJUKSUMNU-IGKIAQTJSA-N 424.452 5.312 0 1 HKAF CCOC(=O)C(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccc([C@H](C)CC)cc12 587643491 UUJKBZCVDCFROD-CYBMUJFWSA-N 417.427 6.113 0 1 HKAF CC[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587709620 BTYQLINKXHGDRY-ADLMAVQZSA-N 416.256 5.795 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2OC(F)(F)F)N1 587720814 NYJAXNVHEGJORE-BTDLBPIBSA-N 418.228 5.285 0 1 HKAF Cc1ccc(F)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1Cl 587722164 RMGUYHFNHXYGHK-XTZNXHDOSA-N 400.694 5.487 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(F)ccc(Cl)c2F)N1 587722355 YGVPHZPTMMTVAD-CQLKUDPESA-N 404.657 5.318 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2n(C)c2ccccc32)N1 587753738 BQEACKSUOBQGRH-XMHCIUCPSA-N 413.334 5.194 0 1 HKAF Cc1ccc(C)c(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587799041 VXECPWANINBYLB-ASSNKEHSSA-N 414.322 5.219 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H](c3ccccc3)C2)N1 587819691 WRKNRPHKZFREKZ-ULYRPOKDSA-N 402.351 6.066 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C=O)cc3)cc2)N1 587823899 SIEJWGLRRHGLTR-FATZIPQQSA-N 424.313 5.691 0 1 HKAF COc1cccc2cc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)oc12 587831774 YHTIGJDXQCRGNP-BIBXISHDSA-N 404.279 5.141 0 1 HKAF Cc1ccc2c(c1C)OCCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587833066 FHUQWCGLFIZZJO-YEJXKQKISA-N 404.323 5.155 0 1 HKAF C[C@H](c1nc2ccccc2s1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587857590 LDXFOALZSAIIAQ-FKANQGBASA-N 419.363 5.751 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C(C)(C)C)ccc1OC 587859178 CGAOTVNHYVOZOT-UHFFFAOYSA-N 419.352 6.551 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1sccc1Cl 587861170 LKYATWRFDORKIG-UHFFFAOYSA-N 401.702 5.659 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(C(C)C)cc1 587864219 HNKFXXXSVSNDLH-UHFFFAOYSA-N 402.416 5.780 0 1 HKAF CSc1ccc(-c2csc([C@H]3CCCN(C(=O)OCc4ccccc4)C3)n2)cc1 587924799 JWSMPPPJQWEJEY-IBGZPJMESA-N 424.591 6.048 0 1 HKAF COc1cc(O)cc(-c2cccc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2)c1 587930574 DHRVSGJQWFGCAU-UHFFFAOYSA-N 402.347 5.769 0 1 HKAF Cc1cc2c(cc1F)[C@](c1ccccc1)(c1cccc(C(F)(F)F)c1F)NCC2 962148116 RANQIIWQVVKPJM-QFIPXVFZSA-N 403.394 5.730 0 1 HKAF Cn1c([C@H]2NCCc3cc(-c4ccccc4)ccc32)nc2c(Br)cccc21 962667591 PDVLJFYNEZRQNC-NRFANRHFSA-N 418.338 5.238 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@@H]1NCCc2cc(-c3ccccc3)ccc21 962672880 UFBPRAUWLMXHGW-RBZQAINGSA-N 406.570 5.624 0 1 HKAF C[C@@H](c1cccc(Cl)c1)[C@@H]1NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962952564 IWMZNDGKIAUUDT-XOBRGWDASA-N 409.879 5.855 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2ccc(Oc3ccc(F)cc3F)cc2)N1 962954607 LNYKQGDXIRHEDH-DWXRJYCRSA-N 418.487 6.426 0 1 HKAF COc1cccc2cc3c(nc12)[C@@]1(CC(=O)C[C@H](c2ccc(C(C)C)cc2)C1)NCC3 963061415 BTJRKRMHHLMJTB-WXVAWEFUSA-N 414.549 5.245 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@H]2c1c(-c2ccc(F)cc2)c2ccccc2n1C 963258122 NLDAWSAIUFHCIV-DEOSSOPVSA-N 420.915 5.882 0 1 HKAF COc1ccc2c(c1)[C@@](Cn1cccn1)(C(C)(C)C)N(Cc1ccc(F)cc1)CC2 963303575 QFPIXATWCJGUNA-VWLOTQADSA-N 407.533 5.031 0 1 HKAF O=C1CCN(Cc2cc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2)CC1 1772585707 MDURSRVTJHQWCW-UHFFFAOYSA-N 400.309 5.011 0 1 HKAF CC(C)CCc1nc2cc(C[C@H](Oc3ccc(C(C)(C)C)cc3)C(=O)O)ccc2o1 1772585878 DZGACKRSZYQGKC-QFIPXVFZSA-N 409.526 5.789 0 1 HKAF C/C1=C\C[C@]2(C(C)C)CC[C@@](C)(O2)[C@@H](OC(=O)Cc2ccccc2)CC/C(C)=C/CC1 1772625767 QCWPMFRYVOOFJC-UKTRBUHOSA-N 424.625 6.962 0 1 HKAF C[C@H]1c2ccncc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)CCc1ccc(F)cc1 1772650210 ZHJPLTDABORFRU-UXHICEINSA-N 417.528 5.152 0 1 HKAF Cc1cccc(C(=O)N=c2[nH]n(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)c1 1857554293 LOFCKUALWCUKTJ-UHFFFAOYSA-N 409.411 5.086 0 1 HKAF C[C@H](CCC1(O)CC1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857578600 XDUQIOJDOPDMHF-SZFRISSFSA-N 400.647 6.258 0 1 HKAF CCOP(=O)(OCC)[C@H](N(O[C@H](C)c1cc[n+](C)cc1)C(C)(C)C)C(C)(C)C 1857613937 SRYWXYURLCJIIJ-MJGOQNOKSA-N 415.535 5.243 0 1 HKAF Cc1ccc(-c2cc3cc([C@@H]4Nc5ccccc5C(=O)N4C)cc(C)c3oc2=O)cc1 1857744444 CAUFJROIYYUVQC-XMMPIXPASA-N 410.473 5.273 0 1 HKAF O=C(COc1ccc(-c2cccn3cc(-c4ccccc4)nc23)cc1)c1ccccc1 1911571047 IEJYSRPJNGQKKJ-UHFFFAOYSA-N 404.469 5.930 0 1 HKAF O=C(O)C=C[C@@H]1[C@H]2C=C[C@H]3[C@H]1C[C@@H]1[C@@H](CCCCCc4ccc5c(c4)OCO5)[C@@H]2[C@H]31 2356346079 JEVKBOABRNPNLG-DHGROROZSA-N 406.522 5.089 0 1 HKAF CC(=CCCc1coc(Cc2ccoc2)c1)CCC[C@H](C)C=C1C=C(CO)C(=O)O1 2356506281 HTWYMLPJNGFCCQ-IBGZPJMESA-N 410.510 5.508 0 1 HKAF COC(=O)C1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)CCOC(=O)C(C)C 2356549886 LKEDBIJRCHKPBF-AFPVUDKHSA-N 406.607 5.944 0 1 HKAF CC(=CCCC1=CC(=O)O[C@@H]1O)CCC=C(C)CCC1=C(C)[C@H](O)CCC1(C)C 2356626002 HIRZCXOPFLDJON-VWNXMTODSA-N 402.575 5.519 0 1 HKAF CCO[C@@H]1OC(=O)C=C1CCC=C(C)CCC=C(C)CCC1=C(C)CCCC1(C)C 2356748403 CFCUAIAPOSWTBK-AREMUKBSSA-N 414.630 7.592 0 1 HKAF CC1=C2C[C@@]34[C@H]5CC[C@@H](C6=CCC7=C6[C@@H]3[N@]3C[C@]36CCC[C@@H]6C7)[C@@]4(C)[C@@]2(CC1)[C@H](C)C5 2356773487 ALLKUGHSKORXDO-YLYYAROMSA-N 413.649 6.813 0 1 HKAF CCCCCCSc1cccc(-c2nc3ccc(Cl)cn3c2NCCCC)c1 61959702 PWXKROIXUINXSP-UHFFFAOYSA-N 416.034 7.539 0 3 HKAF Cn1c(NCc2ccccc2)nc2cnc(Nc3cccc(OC(F)(F)F)c3)cc21 206020607 DYQCQOWWXOFSLN-UHFFFAOYSA-N 413.403 5.223 0 3 HKAF CC(C)[C@H](C)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(F)cc1Cl 2483038 UDGJMXHPUQENNL-LBPRGKRZSA-N 404.844 5.715 0 1 HKAF O=C(O)CCCOc1cccc(Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 13727317 JTIUDIGXDLNNHJ-UHFFFAOYSA-N 413.473 5.843 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)C=Cc2cc(O)c(C)c(C)c2O1 27622677 XDOQSVUZAUXCJG-WAZJVIJMSA-N 408.626 8.373 0 1 HKAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@H]1N(C)CCc1ccccc1 28237822 DUOSFJSYYXCVHX-YADHBBJMSA-N 419.396 5.832 0 1 HKAF Cc1c(OCc2cccc(CSc3ccncc3)c2)ccc(C(=O)CC(C)C)c1O 28368298 DKDJBHXKPNNQGW-UHFFFAOYSA-N 421.562 6.196 0 1 HKAF Nc1ccc2cccc(OCCCNCc3ccc(Cl)c(C(F)(F)F)c3)c2n1 28390106 ZAGUWHNFSLUBMV-UHFFFAOYSA-N 409.839 5.048 0 1 HKAF COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc(C)cc(Cl)c1)C(F)(F)F 28862499 UKKKPJSCGQJZAT-HXUWFJFHSA-N 418.858 6.000 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820626 AWYDNKRGSOPYQB-ROULRKMPSA-N 400.691 7.779 0 1 HKAF O=C1OC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2ccccc2)CC1 34802135 POWPGJYSOCFEPI-UHFFFAOYSA-N 412.533 5.047 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 36188572 QASMLJURBZXYNW-LHVXEMGYSA-N 401.679 6.928 0 1 HKAF CCc1c(Cc2cccc3ccccc23)nc(SCc2ccc(OC)cc2)[nH]c1=O 40405194 NWLOCCUGHDSPFD-UHFFFAOYSA-N 416.546 5.377 0 1 HKAF Cc1ccc(C2=Nn3c(nnc3-c3cc(Cl)cc(Cl)c3Cl)SC2)cc1 40865419 MWCBTOWTBLCORG-UHFFFAOYSA-N 409.729 5.572 0 1 HKAF Cc1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(Br)cc32)c1 40878789 UQUSVHJUXYDBQA-MRXNPFEDSA-N 405.361 5.346 0 1 HKAF O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1)N1CCCC1 40914474 NHVMQOGNBFCHMS-UHFFFAOYSA-N 420.727 5.736 0 1 HKAF COc1cc([C@@H](C)N[C@H](C)c2cccc(Cl)c2)nn1-c1ccc(C(F)(F)F)cc1 45283599 IGAOIMCWHVGWEL-ZIAGYGMSSA-N 423.866 5.965 0 1 HKAF C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCCCC3)c(-c3ccccc3)n2)C[C@H]2C[C@@H]1C2(C)C 82133160 SAWOSMYMBDTBQU-IVOMFYJKSA-N 418.585 5.252 0 1 HKAF COC(=O)NCCc1c[nH]c2ccc(OCc3ccc(-c4ccccc4)cc3)cc12 95596519 ZJFBXAWZKFFGEY-UHFFFAOYSA-N 400.478 5.312 0 1 HKAF C(OC(c1ccccc1)c1ccccc1)=C1C[C@H]2CC[C@H](C1)N2CCCc1ccccc1 100937782 NLAHVKVXIGHJAJ-FQLXRVMXSA-N 423.600 6.936 0 1 HKAF COc1cccc(-c2ccc(Nc3cnccc3C(=O)O)c(OC(F)(F)F)c2)c1 103277346 VFWVMBYUDGWVFN-UHFFFAOYSA-N 404.344 5.098 0 1 HKAF COc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1ccccn1 104694365 NFDOBDQPOYUJHY-JOCHJYFZSA-N 417.509 5.173 0 1 HKAF CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccc(C)cc2)C2=C(O)CC(C)(C)CC2=N1 104701117 RLUPSYLSIJBVFM-HSZRJFAPSA-N 415.537 5.781 0 1 HKAF O=C(Nc1ccc(F)cc1)c1ccc(SCc2ccc(Cl)c(Cl)c2)nc1 145209379 KQSOSKKYANTPHD-UHFFFAOYSA-N 407.297 6.072 0 1 HKAF Cc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccc(Cl)cc3)o2)cc1 169333954 NYZZKUAFIUZDJA-UHFFFAOYSA-N 412.880 6.218 0 1 HKAF Cn1c2ccccc2c2cc(CCOc3nccnc3-c3ccc(Cl)cc3)cnc21 169337406 XATHRVHLWFINGI-UHFFFAOYSA-N 414.896 5.458 0 1 HKAF Cc1ccc(CNc2cccc(-c3cc(N[C@H]4CC[C@H](N)CC4)ncc3Cl)n2)cc1 169703650 XQOWKYSWSFFZHH-KDURUIRLSA-N 421.976 5.399 0 1 HKAF CCO[C@H](C)c1c(C)cc(O)c(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1O 238768898 QCTPGZQDYNRTJA-ZKIIDDBMSA-N 400.603 7.465 0 1 HKAF CC[C@@H](C)C(=O)O[C@H](C[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C(=O)O)=CCC[C@H]12)c1ccoc1 238780177 HNEUKNXSHZGUKP-RAJBLAGTSA-N 416.558 6.164 0 1 HKAF CC[C@H](CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 299872601 LGJMUZUPVCAVPU-OTRHFJRXSA-N 416.734 8.105 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc1 586878351 FDBMTFREYZKWEZ-UHFFFAOYSA-N 412.367 5.802 0 1 HKAF Cc1cc(-c2nc3c(Br)cccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586878712 JECPOCKHOVBHPF-UHFFFAOYSA-N 407.267 5.666 0 1 HKAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586916903 PIINUQWMBMOMLJ-BLVKFPJESA-N 424.806 5.331 0 1 HKAF Cc1ccc2c3c(cc(-c4cccc(C(F)(F)F)c4F)nc13)-c1ccccc1C2=O 586994025 UVMUDXHPNVUPJJ-UHFFFAOYSA-N 407.366 6.580 0 1 HKAF c1ccc(Oc2ccc3nc(COc4ccccc4C4SCCS4)[nH]c3c2)cc1 587042688 VYUGFFIDWVMKHR-UHFFFAOYSA-N 420.559 6.413 0 1 HKAF CCOC(=O)c1ccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 587072366 ZMLBVHIUDJCQSX-UHFFFAOYSA-N 406.869 5.639 0 1 HKAF Fc1c(Br)ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12 587084729 FSPOYLOODIHKER-UHFFFAOYSA-N 403.642 5.242 0 1 HKAF Cc1ccc2c(c1)CCCN2[C@H](C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096658 JFKNGWBQQCWPQJ-LJQANCHMSA-N 418.540 6.577 0 1 HKAF CN(Cc1ccccc1)[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587104948 XNWOGHUOKNCAOD-LJQANCHMSA-N 404.513 5.436 0 1 HKAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccc(Oc3ccccc3)cc2[nH]1 587168541 YXHQHXUUSVWHCA-QFIPXVFZSA-N 416.456 5.863 0 1 HKAF Cc1cc(C)c(O)c(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)c1 587207325 ROMNTVIBPUIHLY-UHFFFAOYSA-N 409.441 5.063 0 1 HKAF C[C@@]1(c2cccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338104 WOBIKRTVJSTLLL-KNQAVFIVSA-N 400.808 5.598 0 1 HKAF CC1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(O)ccc2O1 587348523 CZNNGMMHZNFZIZ-RCZVLFRGSA-N 420.436 5.052 0 1 HKAF CC(C)(C)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587357461 UJDUKZRUQSAOPW-BVAGGSTKSA-N 404.481 6.103 0 1 HKAF C[C@]1(c2nc3c(s2)CCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587372494 JFZGASGSHASLOW-OFNKIYASSA-N 409.482 5.141 0 1 HKAF COc1ccc([C@]2(c3cccc4ccccc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587443372 PTRYZVJFCNTSHK-UFHPHHKVSA-N 422.480 5.548 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C(=O)c1ccc(F)cc1)(c1ccc(F)cc1)CC2=O 587465873 HRZHHGRBPMHUSP-RUZDIDTESA-N 422.427 5.367 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCC)(c1cn(CC(=O)O)c3ccccc13)CC2=O 587468791 BCXZFUODPWKSSW-RUZDIDTESA-N 421.493 5.045 0 1 HKAF CCOC(=O)[C@@H](C(C)C)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587525714 RKFAOFIZEYRLRQ-ZEQKJWHPSA-N 406.522 5.261 0 1 HKAF CCCCCCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587613123 NTMHMSIAYMAVRG-ZJSXRUAMSA-N 408.519 6.279 0 1 HKAF CCOC(=O)c1c(-c2cc(F)cc(Br)c2)[nH]c2ccc([C@H](C)CC)cc12 587640930 GZABDCAOAWNWHZ-GFCCVEGCSA-N 418.306 6.427 0 1 HKAF O=C(c1ccc(Cl)c(Cl)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657190 PPWZVXQHIVARSI-UHFFFAOYSA-N 413.235 5.198 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3ccnc3)cc2Cl)N1 587694857 MNIGLSSHBNPTTK-JEOXALJRSA-N 420.713 5.051 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2F)(C2CCCC2)N1 587728828 TYACAJBELFAUSR-YEJXKQKISA-N 406.314 5.695 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCSc3c(F)ccc(F)c32)N1 587737912 IEKIZPPYPOMNFN-NIVTXAMTSA-N 414.290 5.140 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc3nc(C(C)(C)C)oc23)N1 587776423 CJJWKXFTYGJSLZ-QGHHPUGFSA-N 418.310 5.046 0 1 HKAF CCOc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC 587799709 BXGBVKAQSSMPCB-ZSEKCTLFSA-N 422.338 5.183 0 1 HKAF Cc1cc(C)c2[nH]c(C)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587800539 BJJJNTXTIHJTDM-LAJNKCICSA-N 401.323 5.618 0 1 HKAF COc1ccc2c(c1)[C@H](C)[C@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587808556 NVQQSWDRRZNGLF-BYVOGVQKSA-N 404.323 5.076 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC3CCCC3)c2)N1 587809264 IKLZCMQUTDANME-ASSNKEHSSA-N 404.323 5.533 0 1 HKAF CSc1ccc2c(c1)CCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587841913 CNQJKVUBVKSTGM-ODXCJYRJSA-N 406.364 5.424 0 1 HKAF CCCc1cc(C(=O)n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)sc1C 587866405 BYRQDXNEPTYXOV-UHFFFAOYSA-N 422.472 5.979 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3ccc(Cl)nc3)n2)cc1 587923436 PUKBXKCCSUAXME-UHFFFAOYSA-N 405.885 6.813 0 1 HKAF COc1ccc([C@H](c2ccccc2)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 587932456 FMKSJQLFRWXASF-AWEZNQCLSA-N 418.806 5.166 0 1 HKAF CCCC/C=C\c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587964618 AHKITNQAZNLNPA-UITAMQMPSA-N 405.395 6.177 0 1 HKAF CC/C(=C\c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccc(C)cc1 587966493 IHDLQTLCNCMPJA-XYOKQWHBSA-N 409.249 6.603 0 1 HKAF Cc1cc(-c2ccc(CC(=O)Nc3ccc4c5ccccc5n(C)c4c3)cc2)ccn1 653714176 KSMRUMXYAJMLHG-UHFFFAOYSA-N 405.501 5.883 0 1 HKAF C[C@@]1(c2cccc(-c3cccc(C(=O)O)c3)c2)NCCc2cccc(-c3ccccc3)c21 962661141 DPCFSSWAXBYOEW-LJAQVGFWSA-N 419.524 6.128 0 1 HKAF Cc1cccc(CC[C@@]2(c3c(C)cccc3C)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962895316 IDLGEAJUMOBJDQ-RPLLCQBOSA-N 417.524 5.226 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccn2-c2ccc(Br)cc2)N1 962958304 PPUQYOUPJLFPOO-MWTRTKDXSA-N 420.354 5.735 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@H]2c1c[nH]c2c(C)c(Br)ccc12 963269502 KAUAKCBLSVGXKS-IBGZPJMESA-N 405.723 5.136 0 1 HKAF COc1c(C(=O)CCC2CCN(CC3CCCCC3)CC2)cc(Cl)c2[nH]ccc12 1857589697 DUUYHLUSDHATNS-UHFFFAOYSA-N 416.993 6.085 0 1 HKAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](c4ccc5ccncc5c4)CC[C@@H]32)C1 1857636076 XQAZPRXRPMQQCN-UEJNVYAJSA-N 416.653 6.949 0 1 HKAF Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@@H](C)CCC[C@H](C)CCC(=O)O)CC2 2356284554 IITULCXNOMOXAH-DPOKWSEZSA-N 404.591 6.570 0 1 HKAF CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)=O 2356585827 DMPCQZBAZOKWKU-CJROTANISA-N 414.674 6.958 0 1 HKAF CC(=O)N[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@@]45C[C@]35CC[C@]12C 2356674385 FXDDRLSNPIXAQG-XQNNVGFKSA-N 400.651 5.244 0 1 HKAF COC(=O)c1cc([C@H](c2ccccc2O)[C@H]2CCCO2)n2cccc(C(C)(C)C)c12 201482642 VEKHOGXHVCKJSG-YADHBBJMSA-N 407.510 5.040 0 3 HKAF O=C1[C@H](n2ccc3ccccc32)c2cccc(F)c2N1Cc1ccc(C(F)(F)F)cc1 206025554 VINDBWLATZKMJP-JOCHJYFZSA-N 424.397 5.935 0 3 HKAF CCN(CC)CCOCCOCC1(c2ccc(Cl)c(Cl)c2)CCCCC1 6010191 ZPMUOSYLRSATDA-UHFFFAOYSA-N 402.406 5.570 0 1 HKAF O=C(Nc1cccnc1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 6783288 OCHGENKYUUTMMX-FCHUYYIVSA-N 417.534 5.005 0 1 HKAF O=C(O)CCCC[C@@H](CCSC(=O)c1ccccc1)SC(=O)c1ccccc1 13916312 XMMSQSYHYBHZGH-IBGZPJMESA-N 416.564 5.537 0 1 HKAF C[C@H](C[C@@H](CO)C(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 27994885 SQMRHYMZFLEQKS-SHJQKZDVSA-N 418.662 5.332 0 1 HKAF CNc1ccc(-c2nc3ccc(-c4nc5ccc(Cl)cc5s4)cc3s2)cc1 28713974 MBRYOXIQKQTLNA-UHFFFAOYSA-N 407.951 6.935 0 1 HKAF C[C@H](Nc1ncc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1C)c1ccccc1 29331942 DBWKADOSCDJBEG-LBPRGKRZSA-N 413.365 6.298 0 1 HKAF O=C(O)c1ccccc1-c1ccccc1-c1cc(Cl)ccc1OCc1ccccc1 40848408 QZESGEXIOWAAMM-UHFFFAOYSA-N 414.888 6.951 0 1 HKAF Cc1cc(S(=O)(=O)Nc2scc(C)c2-c2nc3ccccc3s2)ccc1F 43020643 KXJAIQYOBCOJNP-UHFFFAOYSA-N 418.540 5.582 0 1 HKAF O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(Cl)c(Cl)ccc12 63540316 JFGACSUTAMZDKC-UHFFFAOYSA-N 401.175 5.599 0 1 HKAF CCC[C@H](C)COc1ccc([C@H](CNCC2CC2)NC(=O)[C@@H](C)c2ccccc2)cc1 72316081 OMFQRVFJZWGTDS-WOVHNISZSA-N 422.613 5.462 0 1 HKAF COc1ccc2nc(NC(=O)c3cccnc3Nc3ccc(Cl)cc3)sc2c1 73198412 BPJBOAXOWCPVSL-UHFFFAOYSA-N 410.886 5.349 0 1 HKAF Cc1ccccc1-c1nc(N2CCCCC2)ncc1-c1nc(-c2ccccc2)c(C)o1 82177423 PGEKBEMZFYNTGV-UHFFFAOYSA-N 410.521 6.073 0 1 HKAF CSCC[C@H](Nc1nc(-c2cccc3ccccc23)cs1)C(=O)NCC(C)C 82191845 OGEVXCPDFYVNND-IBGZPJMESA-N 413.612 5.269 0 1 HKAF O=C(NC1CCCCC1)[C@@H]1CCCN1c1nc(-c2cccc3ccccc23)cs1 82191995 OVUBVKGOIMSLPK-QFIPXVFZSA-N 405.567 5.381 0 1 HKAF c1ccc([C@@H](c2ccc(CN3CCNCC3)cc2)C23CC4CC(CC(C4)C2)C3)cc1 95557913 MQTVNZPDZXPNCY-KQLLPRIFSA-N 400.610 5.440 0 1 HKAF O=C(CSc1nccnc1-c1ccccc1Cl)Nc1ccc(Cl)cc1Cl 95564331 BKOGREJOQUTBBS-UHFFFAOYSA-N 424.740 5.835 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)N1[C@@H]2CC[C@@H]1CC([S@](=O)c1ccccc1)C2 101271159 BPWKPRCUECQNRN-MVJQZIEYSA-N 422.472 5.041 0 1 HKAF COc1ccc([C@]2(O)/C(=C/c3ccccc3)CCC[C@@H]2CN(C)c2ccccc2)cc1 169301550 NYKSSJDPEPIBPK-ULQIICISSA-N 413.561 5.903 0 1 HKAF C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)C[C@](C)(CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 211368629 KENPOJGXNZZKMX-NNQFISCCSA-N 416.646 6.886 0 1 HKAF COc1cc(OC)c2c(=O)c(-c3ccc(OCc4ccccc4)c(OC)c3)coc2c1 215983582 XPYARVYNUNOZLN-UHFFFAOYSA-N 418.445 5.065 0 1 HKAF CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C 255263937 RXSFCOUBKQSZFV-QGSMACLHSA-N 400.695 5.964 0 1 HKAF O=C1c2c(OCC3CCCCC3)cccc2OC[C@H]1Cc1coc2ccccc2c1=O 299828747 HDYPCVYWOBRKSH-LJQANCHMSA-N 418.489 5.186 0 1 HKAF Fc1ccc(Nc2ncnc3c(C(F)(F)F)cc(-c4cncs4)cc23)cc1Cl 299852141 OAYVTXJSLVPLQP-UHFFFAOYSA-N 424.810 6.308 0 1 HKAF CCCOc1cc2nc(CCCCc3cccc(O)c3)[nH]c2cc1Br 586896725 WDAHNUTYVMGQIO-UHFFFAOYSA-N 403.320 5.385 0 1 HKAF COc1ccc2[nH]c3c(c2c1)-c1nc2ccc(O)c4c2c(c1CC3)-c1ccccc1C4=O 586989930 SVAWOEQIIFCLLC-UHFFFAOYSA-N 418.452 5.407 0 1 HKAF Brc1ccc(-c2ccc(/C=C/c3nc4cc5c(cc4[nH]3)OCCO5)o2)cc1 586998525 LWEHUSDEYIBBBA-SOFGYWHQSA-N 423.266 5.527 0 1 HKAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(N)c(N)cc2[nH]1 587018496 DQZGURTWWBHVHU-UHFFFAOYSA-N 418.353 5.484 0 1 HKAF COc1ccc2nc(-c3nc4cc(Br)c(OC(C)C)cc4[nH]3)sc2c1 587035176 MQFJTAHYEHLDMB-UHFFFAOYSA-N 418.316 5.398 0 1 HKAF Cc1cc(-c2nc3nccc(Cl)c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587059818 YLTJNTXYFUXZBJ-UHFFFAOYSA-N 423.307 5.342 0 1 HKAF Cc1ccc2c3c(cc(-c4nc(-c5ccccc5)cs4)nc13)-c1ccccc1C2=O 587101193 FAXPRVIVNXPDKU-UHFFFAOYSA-N 404.494 6.545 0 1 HKAF Fc1c(Cl)cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1F 587114477 AXDXQEOIYMXGRU-UHFFFAOYSA-N 412.543 5.338 0 1 HKAF FC(F)(F)Oc1cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2cc1Cl 587120444 JGAMKKNIGGLJOS-UHFFFAOYSA-N 420.700 5.677 0 1 HKAF Cc1cccc(C[C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587357091 SLOKMJUCFGXUEU-AZGAKELHSA-N 402.465 5.590 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](n2cncn2)C[C@H](C)C3)c1 587361973 AAIZSYIBDZRKMX-FOIQADDNSA-N 410.477 5.420 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@](C)(c2ccccc2)C3)c1 587367469 RNRMALVSANUGTG-GDLZYMKVSA-N 419.524 7.103 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ccc1OCc1ccccc1C)O2 587375961 BEDDKPLIUUPWNN-HSZRJFAPSA-N 407.897 5.825 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccccc3Cl)cc1)CC2=O 587460353 FIPSRDARXCOCAY-XMMPIXPASA-N 422.908 6.284 0 1 HKAF Cc1cc([C@@]2(CN3CCCCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc(C)c1O 587515310 SEUGYLRKHAAPEW-MHZLTWQESA-N 419.565 5.234 0 1 HKAF CC(C)=CC[C@@H]1C(=O)c2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587522645 GDNNXRRFDXFSHE-JIPXPUAJSA-N 414.501 5.164 0 1 HKAF CC(C)(C)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(C(C)(C)C)c1O 587534723 XSFOKGCQGVHDKT-HSZRJFAPSA-N 406.566 6.573 0 1 HKAF C[C@@]1(c2nc(-c3ccccc3)cs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610208 FIWVSGXIHYTVOD-GBXCKJPGSA-N 415.470 5.393 0 1 HKAF O=C(Nc1ccc(Br)cc1)c1c(C(F)(F)F)[nH]c2cc(F)ccc12 587634301 XZADPPHKUXKXBH-UHFFFAOYSA-N 401.157 5.341 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c([C@@H](C(=O)O)c3ccc(Cl)cc3)c2c1 587639581 ACQAWNXEJUVDPF-MWTRTKDXSA-N 417.936 7.218 0 1 HKAF COc1cc(Cl)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 587691067 BPKVKFWFLGXGEY-RBHXEPJQSA-N 419.121 5.527 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3cccn3)cc2Cl)N1 587693898 KJWUWVFWFHKQET-WLRWDXFRSA-N 420.713 5.051 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C(=C/N(C)C)c2cccc(Cl)c2)N1 587700805 MJFCYFKWTVLHMK-VQLXTHHLSA-N 423.757 5.420 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C(F)(F)Cl)N1 587705303 MPIDEYIRSZZLFB-QFYYESIMSA-N 404.657 5.198 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(C(F)(F)F)N1 587709167 IZNNJKGFOPRCFC-FVMDXXJSSA-N 406.192 5.067 0 1 HKAF Cc1ccc(Cl)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F 587714882 GGJNBTNEYIFWIV-YPMLDQLKSA-N 400.694 5.487 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(F)c3)nc2)N1 587727506 BLMPHIBZBLKQOH-LAJNKCICSA-N 415.281 5.413 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(N3CCCCC3)c2)N1 587766317 NAZJRMPQSBOALP-SZNDQCEHSA-N 403.339 5.202 0 1 HKAF CC[C@H](C)c1ccc(OC)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587808802 QSZHRFVVHKFMSX-BYVOGVQKSA-N 406.339 5.734 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC3CCCC3)cc2)N1 587809682 JCPUHJKHLBYSNW-ASSNKEHSSA-N 404.323 5.533 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3cccc4c3c2CC4)N1 587816099 UEJLQUZSZLJDDZ-JCQPUDPBSA-N 410.330 5.638 0 1 HKAF COc1ccc2sc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587859077 VKBQFFUJNSKBDA-APBUJDDRSA-N 406.320 5.435 0 1 HKAF CC(C)c1ccc(-c2cc(O)n(-c3ccc(-c4cccc(F)c4)c(F)c3)c2O)cc1 587946527 YPKYSKKIPGHNHC-UHFFFAOYSA-N 405.444 6.624 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(OCc3ccc(Cl)cc3)c2)N1 962940461 CUNNIRCOKISTEK-NLFFAJNJSA-N 416.952 6.414 0 1 HKAF C[C@]1(Cn2c(C(F)(F)F)nc3ccccc32)c2c(F)cccc2C[C@H]2CCCN21 963112353 SGHSYFWPIWIVOP-VFNWGFHPSA-N 403.423 5.130 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccc(C(F)(F)F)cc1)c1cnccc1C 963242424 PWGNICSCBJYYOZ-CLOONOSVSA-N 424.510 6.357 0 1 HKAF Cc1c(C)c2ccc(OCC3CCN(Cc4cccc(Cl)c4)CC3)cc2oc1=O 1857592370 XUYYFZXWHRQXHP-UHFFFAOYSA-N 411.929 5.354 0 1 HKAF S=C(Nc1cccc(Cl)c1)Nc1ncccc1OCc1ccccc1Cl 1857745835 LABKTFFQMIAICI-UHFFFAOYSA-N 404.322 5.776 0 1 HKAF CCC[C@H](O)CCCCCCC1=C2C[C@H](OC(=O)C=CSC)[C@@H](C)N[C@@H]2CCC1 2356795462 MBIHDNYJAYBQJI-IYSOMAHNSA-N 423.663 5.507 0 1 HKAF C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)NCc5ccccc5)[C@H]4CC[C@]3(CC1=O)C2 36387913 XXTWNNJUTAYEDM-FIVJYGDRSA-N 407.598 5.675 0 3 HKAF Cc1cc(Br)cn2c(Cc3cccc(Cl)c3)c(C3CCCCC3)nc12 199372191 XOFGNOLKUUSRQP-UHFFFAOYSA-N 417.778 6.697 0 3 HKAF CCN1C(=O)c2ccccc2Sc2ccc(C(=O)NCCC3=CCCCC3)cc21 3060486 LJUVXTPJRWQQTE-UHFFFAOYSA-N 406.551 5.438 0 1 HKAF CN(C)C(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 4081345 KUUHUZDQCPLTOJ-GMAHTHKFSA-N 404.897 5.187 0 1 HKAF CCN(CC)C(=O)Cc1ccc(Sc2cc([C@@]3(C)COC(C)(C)O3)cs2)cc1 13743612 BBNZCJBOOROYME-JOCHJYFZSA-N 419.612 5.308 0 1 HKAF NC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c2ccccc2)cc1 26247258 QHJZNRSKPHVMHF-MKPDMIMOSA-N 422.572 5.457 0 1 HKAF O=c1[nH]c(C2=C[C@@H](N3CCC(c4ccccc4)CC3)CC2)nc2c(Cl)cccc12 28954737 WGBZFQJXRNSUNB-IBGZPJMESA-N 405.929 5.002 0 1 HKAF O=[S@](CC(F)(F)F)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1 34077340 PLFPJJZBPGBELL-SANMLTNESA-N 419.255 5.720 0 1 HKAF Cc1cccc(-c2ccc(/C=C/[C@@H]3[C@@H]4[C@@H](C)OC(=O)[C@@H]4C[C@@H]4C[C@H](O)CC[C@H]43)nc2)c1 34802893 BXKJXBVYRJWKOJ-XDSVWOTKSA-N 417.549 5.045 0 1 HKAF CC[P@](=O)(Cc1cccc(C(=O)Nc2cc(-c3cccs3)ccc2N)c1)OC 40408429 ROPGCNDHOFSSDM-HHHXNRCGSA-N 414.467 5.694 0 1 HKAF O=C(Cn1c(-c2ccccc2)c(-c2ccccc2)oc1=O)Nc1ccc(Cl)cc1 40835043 MYZNRDTWLYOIDS-UHFFFAOYSA-N 404.853 5.067 0 1 HKAF Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)[C@H](C)CN(C)C)cc4)c3)nc12 45188539 FQWQXDBLJUAVPS-GOSISDBHSA-N 412.537 5.342 0 1 HKAF CC[C@H](NC(=O)c1c(N)c(-c2sccc2Cl)nc2ccccc12)c1ccccc1 45189449 GYCJQRRNEKWGGT-KRWDZBQOSA-N 421.953 6.080 0 1 HKAF CN(C)C[C@@H]1CCc2cc(NC(=O)c3ccc(-c4cccc(Cl)c4)cc3)ccc2C1 72114173 QXQYXUMJJNTKCX-GOSISDBHSA-N 418.968 5.926 0 1 HKAF Fc1ccc(-c2nc(N3CCCCC3)ncc2-c2ncc(-c3ccccc3)s2)cc1 82164533 UNSRSGNQPGQCQU-UHFFFAOYSA-N 416.525 6.064 0 1 HKAF CCCc1ccc(-c2csc(N[C@H](C(=O)NCC(F)(F)F)[C@@H](C)CC)n2)cc1 82195282 DPIIIXDLNOWMGX-GUYCJALGSA-N 413.509 5.268 0 1 HKAF CC1=C(CC(=O)NCCN(C)C)c2cc(F)ccc2/C1=C\c1ccc2ccccc2c1 84688261 RLPLDZMSEHLOBZ-IWIPYMOSSA-N 414.524 5.375 0 1 HKAF O=c1oc(-c2ccccc2)c(I)c2sc3c(c12)CCCCC3 84712735 QBQCAWMYQRLWCS-UHFFFAOYSA-N 422.287 5.395 0 1 HKAF C[C@@H]1C[C@H](N)C[C@H](c2ccncc2CC(=O)c2cccc(-c3c(F)cccc3F)n2)C1 96177704 CEXIGWFQSOYHSO-JZXOWHBKSA-N 421.491 5.078 0 1 HKAF CC[C@H](C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1cccs1 100703437 MOCIKDHQSOTPNI-ZBEGNZNMSA-N 415.584 5.984 0 1 HKAF CCCCC[C@H](O)c1ccc([C@H]2CCC(=O)[C@@H]2C/C=C\CCCC(=O)OC)cc1 117762473 OHMVJJMZDOQADS-BTLRPRPUSA-N 400.559 5.653 0 1 HKAF CC[C@@H](Nc1cccc(CN2CC[C@@H](C(=O)O)C2)c1F)c1ccc(Cl)c(C)c1 118396296 GUISQJKZLWKAHH-IEBWSBKVSA-N 404.913 5.257 0 1 HKAF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](F)C(=O)[C@H]4C[C@@H](F)CC[C@]4(C)[C@H]3CC[C@@]21C 118921461 WOAGLGRQRGQJFN-DKUOUXCGSA-N 424.572 5.700 0 1 HKAF CC(C)/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 136992169 QJKDTGBJOBJWGU-RQZHXJHFSA-N 401.550 5.948 0 1 HKAF Fc1cccc(CNc2cccc(-c3cc(N[C@H]4CCCOC4)ncc3Cl)n2)c1 169703750 QFBJHWFOTMVPDR-KRWDZBQOSA-N 412.896 5.139 0 1 HKAF C/C(=C/C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 198455434 ICOBDHPNAUQIMP-ZXYOOTFQSA-N 400.691 7.635 0 1 HKAF CC1=C(C[C@@H](C)[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H]1C(C)C 255223678 KRCHOIMKMJBPQW-HUGHTPCYSA-N 412.702 7.635 0 1 HKAF C[C@@H]1CCC2=C(C1)c1c(O)cc([C@H](C)[C@H](C)Cc3ccc(F)cc3)cc1OC2(C)C 299849627 OARQWQUBCPLSIK-KZNAEPCWSA-N 408.557 7.258 0 1 HKAF COc1ccc(NC(=O)Nc2cccc(Sc3ccnc4ccsc34)c2)cc1 473114375 NGHGYPCJAAGRCQ-UHFFFAOYSA-N 407.520 6.100 0 1 HKAF O=[S@@](Cc1nc2ccc3c(c2[nH]1)CCCC3)C(c1ccccc1)c1ccccc1 586961669 XMEUMNCQDMNOMU-LJAQVGFWSA-N 400.547 5.480 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2cc(C)cc(F)c2[nH]1 586980992 CRGAGVMNHOWPCJ-UHFFFAOYSA-N 405.311 6.399 0 1 HKAF Cc1ccc2c3c(cc([C@H](N=O)C(=O)Nc4ccccc4)nc13)-c1ccccc1C2=O 586997582 SXOCZSBNYKWEOM-QHCPKHFHSA-N 407.429 5.201 0 1 HKAF COC(=O)c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 587010437 AHLVBQJRPLYCMI-UHFFFAOYSA-N 420.515 6.117 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)cc2)n1 587020242 JNQUSSLBILRXOT-UHFFFAOYSA-N 409.433 5.844 0 1 HKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(F)cc(Br)c2[nH]1 587044616 ISGJPRCHGQPPNE-UHFFFAOYSA-N 420.065 5.456 0 1 HKAF COc1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2cc1Cl 587061275 UDCFOXYEDVPZLC-UHFFFAOYSA-N 420.299 6.761 0 1 HKAF Cc1ccc2c(ccc3nc([C@@H]4[C@@H](/C=C(\Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c32)n1 587071930 NSOQTQRQTPIJKE-UMDQBSQQSA-N 422.359 7.092 0 1 HKAF FC(F)(F)c1ccc(Oc2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2)cc1 587113398 IWNBZEQBRNQVFP-UHFFFAOYSA-N 423.221 7.348 0 1 HKAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(OC)c(C)cc4[nH]3)cc2)cc1F 587147057 CZTBXWFFRGAKMS-UHFFFAOYSA-N 417.484 5.027 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587191149 LFRBTGYLXKOOPZ-AWEZNQCLSA-N 407.301 5.221 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@@H](C)c4ccc(N(C)C)cc4)[nH]c3c2)cc1 587194948 DHYDTGKXKUESJC-INIZCTEOSA-N 415.493 5.360 0 1 HKAF CC(C)[C@@H](c1nc2ccc(OC(F)(F)F)cc2[nH]1)N(C)C(=O)OCc1ccccc1 587198355 ZBHMSGSCOXAXAK-SFHVURJKSA-N 421.419 5.427 0 1 HKAF CC(C)(C)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332500 QVLYCMZWQQMJQJ-RDGATRHJSA-N 424.899 6.485 0 1 HKAF C[C@]1(CC23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349977 CYXONGCMJUQSER-SZZPDDDMSA-N 420.524 6.255 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](OCc2ccccc2)C3)c1 587366438 UJMIBDUGIUFVSI-HSZRJFAPSA-N 407.469 6.471 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3noc(-c4ccc(Cl)cc4)c3c1)O2 587380390 UIQRWVSKSXTXTK-OAQYLSRUSA-N 404.853 5.745 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(C(C)C)cc3)nc3ncccn13)O2 587393463 GXLXZEMKLBZUCG-OAQYLSRUSA-N 412.493 5.117 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(-c4ccccc4)n(-c4ccccc4)n1)[C@@H](C2)C3=O 587433173 VRFBIXQFFUHWOQ-FNZWTVRRSA-N 408.457 5.037 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccc(-c4ccccc4)cc1)([C@@H]1CCCO1)[C@@H](C2)C3=O 587456514 WETMPBBQDHPLBS-WFIHMLKPSA-N 412.485 5.184 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(C(C)C)CC2=O 587458138 QDXZURFGRZPZSX-OAQYLSRUSA-N 403.316 5.624 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](C(Cc1ccccc1)Cc1ccccc1)CC2=O 587490667 TVQUYDUCJOMQRQ-AREMUKBSSA-N 400.518 5.780 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccsc1C(=O)O)CC2=O 587494174 JWYUEQFLZDWWOT-QHCPKHFHSA-N 408.475 5.013 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1nc3cc(Br)ccc3s1)CC2=O 587495482 OTIKPJWZCMLJNL-INIZCTEOSA-N 418.312 5.423 0 1 HKAF O=C1C[C@@](Cc2cccnc2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587499305 IGNVNPOZRKNHQK-VWLOTQADSA-N 403.909 5.717 0 1 HKAF O=Cc1nc2ccccc2cc1[C@@]1(c2ccco2)CC(=O)c2ccc3c(c2O1)CCCC3 587526478 PORQOQLBLATEHU-HHHXNRCGSA-N 423.468 5.428 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cccc1C(F)(F)F 587549434 PZWPGYKWQHWTKU-FXAWDEMLSA-N 420.770 5.767 0 1 HKAF CC[C@]1(c2ccccc2OC(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555843 MLMDFMLADAWBQE-WMZHIEFXSA-N 412.388 5.261 0 1 HKAF C[C@@]1(c2ccc(F)cc2N2CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568489 MOXQBBKMXNHFAZ-RDGATRHJSA-N 419.452 5.009 0 1 HKAF CCCCC[C@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577208 JQYHWQBTPVQRCG-RCZVLFRGSA-N 403.478 5.412 0 1 HKAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(C)(C)C 587594637 OZZLYTHHXJPMFJ-ATIYNZHBSA-N 418.489 5.575 0 1 HKAF CCOC(=O)Cc1c(-c2ccccn2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627557 CJUOBAHKWCTECL-UHFFFAOYSA-N 416.321 5.373 0 1 HKAF CCOC(=O)c1[nH]c2ccc([C@@H](C)CC)cc2c1C(=O)c1ccc(Cl)cc1Cl 587639701 BRRNBAUFGXEGQZ-LBPRGKRZSA-N 418.320 6.396 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=Cc3cc(Cl)ccc3OC2)N1 587698261 NOEQKBIMJGFVRM-APBUJDDRSA-N 408.698 5.293 0 1 HKAF Cc1cccnc1[C@@H]1CCC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587769998 HKPPGGRESVKWGF-PZPWOCDFSA-N 403.339 5.379 0 1 HKAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(F)cc(Br)c2[nH]1 587783104 XHARNHTZXUSBQL-UHFFFAOYSA-N 413.246 5.416 0 1 HKAF CCc1ccc(-c2c[nH]nc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587791487 FZAGQIPKUBGMRK-LAJNKCICSA-N 414.322 5.164 0 1 HKAF Cc1ccc(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587799547 XUCSCDIQXUIKNN-ASSNKEHSSA-N 414.322 5.219 0 1 HKAF CCCCCc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587816460 YLKSHLDNKNPTDM-NYHFZMIOSA-N 404.367 6.119 0 1 HKAF CCc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 587828541 ODLSGVUWQHFXNK-MCMMXHMISA-N 414.318 6.034 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncnc2c1oc1ccccc12 587866116 STUBHCPILSFYSE-UHFFFAOYSA-N 424.382 5.646 0 1 HKAF COc1ccc(-c2ccc(-c3nc4nccc(Br)c4[nH]3)cc2)cc1OC 587927181 OSIRMENWJPNZBY-UHFFFAOYSA-N 410.271 5.072 0 1 HKAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 587938751 ZOKPTQPLLXKRAM-HHHXNRCGSA-N 420.512 6.331 0 1 HKAF Clc1ncc(Br)c2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 587954678 ATZRJEHZHIVRJK-HNNXBMFYSA-N 412.718 5.748 0 1 HKAF O=C(c1ccccc1)c1cc2c(F)c(F)c(-n3cnc4ccccc43)c(F)c2s1 653762723 BBVCTLWZEGIBDO-UHFFFAOYSA-N 408.404 5.889 0 1 HKAF COc1cc2c(cc1OC)[C@H](c1cc(Cl)cc(Cl)c1Cl)N(C)[C@@H](C)C2 962629462 HTUAZFKCFJNAQU-APBUJDDRSA-N 400.733 5.630 0 1 HKAF Fc1ccccc1-c1ccc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)o1 962634039 HCSQNUSBZPZTBF-DWACAAAGSA-N 424.519 5.922 0 1 HKAF Cc1nn(CC(C)C)c(Cl)c1[C@@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962711814 PXBSROUDVPNUMO-YWZLYKJASA-N 407.986 5.093 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(C)c(C)c2)(c2ccccc2Cl)N1 962953845 WLIOSRGYOFMLOL-NFQMXDRXSA-N 414.980 6.654 0 1 HKAF Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2c3c(F)cccc3C[C@H]3CCCN32)cc1 963104544 HYOCQYOHTKSUEQ-QDPGVEIFSA-N 423.535 6.097 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CS(=O)(=O)c1ccccc1)c1ccccc1 963241140 LULICSJYBXNHSG-LVXARBLLSA-N 419.590 5.061 0 1 HKAF CN1CCc2c(Br)cccc2[C@]1(Cc1ccccc1Cl)[C@@H]1CCOC1 963288407 AGLAJOHGTFUJDT-IERDGZPVSA-N 420.778 5.065 0 1 HKAF Cc1ccc(C[C@@]2(C3CC3)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1 963833136 SGKOXWOMWBIXKS-LJAQVGFWSA-N 422.572 6.049 0 1 HKAF c1ccc(CCCCN2CCCN(Cc3ccccc3)[C@@H](Cc3ccccc3)C2)cc1 1772570593 VESNCIYOISMLBP-LJAQVGFWSA-N 412.621 5.829 0 1 HKAF Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)Nc1ccccc1Br 1772581853 XQIPJGOOYOEJIK-UHFFFAOYSA-N 417.306 6.225 0 1 HKAF O=C1CCS[C@H](c2ccccc2)N1CCCNc1ccnc2cc(Cl)ccc12 1772612698 CBTACXULSMSVGF-JOCHJYFZSA-N 411.958 5.355 0 1 HKAF O=C(NCc1ccccc1)c1cc(Oc2ccc(/C=C/c3ccccn3)cc2)ccn1 1857649684 SWMWOEXLQMTELR-FMIVXFBMSA-N 407.473 5.369 0 1 HKAF C[C@@H](CC(=O)O)CC(=O)n1c(CCCCc2ccccc2)cc2ccc(Cl)cc21 1857769303 GULSVZFBPMJAFN-QGZVFWFLSA-N 411.929 6.001 0 1 HKAF C[C@@H]1CO[C@@]2(C[C@@H]3[C@@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)O2)[C@H](C)C1 2356540247 REGABMXOVFDEIY-UXIABBDFSA-N 416.646 5.794 0 1 HKAF O=C(Nc1ccc(C=Cc2ccc(NC(=O)c3ccccc3)cc2)cc1)c1ccccc1 2356574828 OLWMSXPKBVMLAD-UHFFFAOYSA-N 418.496 6.362 0 1 HKAF CC(C[C@H](C)[C@H](C)C(C)C)=C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356609348 WSMAULFAXOAWSD-BDWOTHSYSA-N 412.702 7.945 0 1 HKAF CC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@]4(C)Oc5ccc(O)cc5C[C@H]4[C@@]3(C)CC[C@@H]21 2356739456 BNRLGSUWUGMYKJ-JHIFLRRCSA-N 410.598 6.314 0 1 HKAF O=C(c1cccnc1)N(Cc1ccccc1)[C@@H](c1ccccc1)c1nc2ccccc2[nH]1 95568498 SJXSLLHXFUHNNL-VWLOTQADSA-N 418.500 5.390 0 3 HKAF CCCC[C@H](O)CCCCCCCCCCCCC(=O)c1c(O)cc(O)cc1O 13380846 VTQGNVSMGMLUJY-IBGZPJMESA-N 408.579 6.218 0 1 HKAF biogenic O=C(O)C1=C(C(=O)Nc2ccc(-c3ccc(Br)cc3)c(Cl)c2)CCC1 13534106 SOWRWTZBPURZQN-UHFFFAOYSA-N 420.690 5.273 0 1 HKAF CCCCc1ncc(/C=C(/Cc2ccccc2)C(=O)O)n1Cc1ccccc1Cl 13728095 MNKLESADFMVAAA-HKWRFOASSA-N 408.929 5.638 0 1 HKAF CCC(=O)C[C@@H]1c2c(ccc(OC)c2OC)-c2ccc3cc4c(cc3c2N1C)OCO4 14619062 JROWJKLOBOOQMR-LJQANCHMSA-N 419.477 5.113 0 1 HKAF biogenic CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(Br)ccc23)C1(C)C 14975756 KGRNLURBZOQGDM-UHFFFAOYSA-N 418.375 5.695 0 1 HKAF C[C@@H]1C(=O)c2c(n(O)c3ccc(Cl)cc3c2=O)C[C@@H]1c1ccc(Cl)c(Cl)c1 27089094 WZMMANFTFJNFIU-CABZTGNLSA-N 422.695 5.358 0 1 HKAF O=c1[nH]c(SCCCCCCCCc2ccccc2)ncc1Cc1ccccn1 27312254 LXKCJSDIDXTYOY-UHFFFAOYSA-N 407.583 5.431 0 1 HKAF O[C@@H](CCCN1Cc2c(n(-c3ccc(F)cc3)c3ccc(F)cc23)C1)c1ccccc1 27757441 HOFSUMFUOMYAIG-SANMLTNESA-N 418.487 5.738 0 1 HKAF CC(C)Cc1ccc(N2CC[C@H](Oc3cccc4ccc(NCC5CC5)nc34)C2)cc1 28378408 QWVRCFBWSKTFJF-DEOSSOPVSA-N 415.581 5.913 0 1 HKAF Clc1cnc(Nc2ccc(CCN3CCCC3)cc2)nc1-c1ccc2cc[nH]c2c1 28821341 RBWPUACOPXHFHA-UHFFFAOYSA-N 417.944 5.660 0 1 HKAF Cc1ccc(S(=O)(=O)N(c2cc(Cl)ccc2CO)[C@@H](C)C2CCCCC2)cc1 28823153 OHUNPIUVKQUKEE-KRWDZBQOSA-N 421.990 5.305 0 1 HKAF COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1OC1CCCC1 29126103 QEISKOAZQXGRNF-STZFKDTASA-N 409.507 5.253 0 1 HKAF FC1(F)CCN(CCc2ccc(C3=CC[C@@H]4CN(Cc5ccccc5)C[C@H]34)cc2)C1 29127987 ARXINUPRMISVLG-NOZRDPDXSA-N 408.536 5.105 0 1 HKAF COc1oc(=O)c2cc(NC(=O)C(c3ccccc3)c3ccccc3)ccc2c1Cl 40466175 VKHWNOVUTPMVHV-UHFFFAOYSA-N 419.864 5.226 0 1 HKAF O=C(Nc1ccc(C(=O)c2ccccc2)cc1)c1ccc(-c2ccc(C(=O)O)o2)cc1 40762161 MDWWHBBQBHUAQF-UHFFFAOYSA-N 411.413 5.128 0 1 HKAF COc1ccc(CN2CCN3C[C@@H]2CC[C@H]3C(c2ccccc2)c2ccccc2)cc1 40789739 REYDHEVFSZYDKB-BDYUSTAISA-N 412.577 5.176 0 1 HKAF COc1ccc(C[C@H]2c3cc(OCc4ccccc4)c(OC)cc3CCN2C)cc1 40836231 PVPYOIXVULOLHG-DEOSSOPVSA-N 403.522 5.055 0 1 HKAF O=C(O)/C=C/c1ccc(Cc2cccs2)cc1OCCc1ccc2ccccc2c1 45340251 XGKGVJIBKHFKMF-VAWYXSNFSA-N 414.526 6.211 0 1 HKAF COc1ccc(-c2coc3cccc(OCC4CCCCC4)c3c2=O)c(OC)c1OC 49802702 WXWMNLSDPLUBPN-UHFFFAOYSA-N 424.493 5.445 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CC[C@@H]3CCCC[C@H]3C2)C(C)(C)CCC1 72110294 ABLHXYIGRFMVBV-UNRJMMQQSA-N 421.669 7.557 0 1 HKAF CC[C@H](C)Cn1c(-c2ccsc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188256 GGKXTGYUHDAGIJ-DLBZAZTESA-N 405.571 5.817 0 1 HKAF Oc1ccc(-c2cnc3c(Nc4cccc(OC(F)(F)C(F)F)c4)nccn23)cc1 95570629 HDGFYSKTUHQMTL-UHFFFAOYSA-N 418.350 5.082 0 1 HKAF COc1c2ccoc2c(-c2ccc(/C=C/C(=O)OC(C)(C)C)cc2)c2oc(=O)ccc12 95593424 PYHFAIGLSFKOOV-YRNVUSSQSA-N 418.445 5.570 0 1 HKAF CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3C2)cc2c1OC(C)(C)C=C2 95918665 HQBQVBRNEMTVHN-IBGZPJMESA-N 404.506 5.703 0 1 HKAF biogenic,in-vitro CC[C@@H](c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CC[C@](C)(c2ccccc2)OC1=O 96178530 IMUFBRDEXLFPAE-JYFHCDHNSA-N 416.521 5.261 0 1 HKAF CC1(C)CC2=Nc3nn(-c4ccccc4)c(O)c3[C@H](c3ccc(O)cc3)C2=C(O)C1 103686660 DMYUAHFHTFZLCN-LJQANCHMSA-N 401.466 5.134 0 1 HKAF CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CCOC)ccc21 145867044 XEQKPBUOQQCDKC-UHFFFAOYSA-N 413.477 5.176 0 1 HKAF COc1ccc(N2O[C@H](c3ccccc3)C[C@@H]2c2ccc(-c3ccccc3)cc2)cc1 169291004 HVZZEQYZTIMZPM-IZLXSDGUSA-N 407.513 6.987 0 1 HKAF O=C(c1cc2ccc(Br)cc2[nH]1)c1ncc(-c2c[nH]c3ccccc23)[nH]1 238750458 ALWSZXFEFOHULH-UHFFFAOYSA-N 405.255 5.033 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253791981 UKRMXWMCDFUMQY-ZTGQUWPVSA-N 412.702 8.233 0 1 HKAF C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)C4=CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 299850313 QCVKYDNFSXDPSW-OPOQZYIGSA-N 414.630 5.714 0 1 HKAF COc1cc(C(=O)c2c(-c3ccccc3)[nH]c3ccc(Cl)cc23)cc(OC)c1OC 473097823 COQSOTGRRKEMKW-UHFFFAOYSA-N 421.880 5.745 0 1 HKAF Cc1ccc(-c2nc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c(C)s2)cc1 587012632 DMWRJMGGDWZIKC-UHFFFAOYSA-N 418.747 6.386 0 1 HKAF FC(F)(F)Oc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Cl 587040585 IDTQTBYWPLBWIQ-ZBFHGGJFSA-N 413.852 5.061 0 1 HKAF O=C(c1ccccc1)c1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587051362 SDLWPTWOONYZJG-HZPDHXFCSA-N 407.300 6.372 0 1 HKAF C[C@@H]1c2nc3cccc4c3c(c2CCN1C(=O)OC(C)(C)C)-c1ccccc1C4=O 587105160 QRHVLBWLOKHOHO-CQSZACIVSA-N 400.478 5.300 0 1 HKAF FC(F)(F)c1nc2ccc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)cc2[nH]1 587120397 HKAFYCYNHHYHOT-UHFFFAOYSA-N 408.383 5.704 0 1 HKAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 587121816 MCFIOMDTKRKRHV-UHFFFAOYSA-N 413.186 5.687 0 1 HKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc1 587158892 SAVKMDIPAFATDM-UHFFFAOYSA-N 420.753 5.311 0 1 HKAF COc1ccccc1Nc1ccccc1-c1nc2cc(F)cc(Br)c2[nH]1 587240740 JRAJPTOJTWRNKQ-UHFFFAOYSA-N 412.262 5.884 0 1 HKAF Oc1ccc(Nc2cccc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2)cc1 587242236 KHIZDCZROHWGAA-UHFFFAOYSA-N 420.341 5.728 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(Cl)cc3)cc3ccccn13)O2 587380649 WWTFPWAPUWHBRW-JOCHJYFZSA-N 402.881 5.857 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCc3ccc(Cl)cc3)c1)CC2=O 587458582 AGIQUCVCWGZQQE-XMMPIXPASA-N 422.908 6.284 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(COc1ccc(-c3ccc(C)cc3)cc1)CC2=O 587481396 MBFHTWFDPXJXDA-HHHXNRCGSA-N 416.517 6.123 0 1 HKAF O=C1C[C@@](CCF)(c2ccccc2Br)Oc2c1ccc1c2CCCC1 587502396 DXKSWRWGLLDMJZ-NRFANRHFSA-N 403.291 5.548 0 1 HKAF O=C1C[C@H](c2ccc(-n3cc(C(F)(F)F)cn3)cc2)Oc2c1ccc1c2CCCC1 587504920 HAOIDIHBJIEWPZ-OAQYLSRUSA-N 412.411 5.476 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCCc1ccc(Cl)cc12 587550454 BALOMJROVOUBMK-QPPBQGQZSA-N 406.865 5.629 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1c(Cl)cc(Cl)cc12 587552262 PGOKGVQUBACHHJ-KNQAVFIVSA-N 413.256 5.502 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(F)c2)s1 587568172 DGGIWXAEAPSXMJ-URXFXBBRSA-N 418.445 5.963 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)C1CCCC1 587568933 GJVFMMCKGIJJES-DHLKQENFSA-N 404.437 5.579 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1Cc1cccs1 587612742 MVOQZTRJBPQTSU-NZQKXSOJSA-N 403.459 5.006 0 1 HKAF Cc1c(-c2ccc(F)cc2C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 587622682 RHKMUGGCPARCSO-UHFFFAOYSA-N 412.184 5.940 0 1 HKAF CCc1c(-c2cccc(C(F)(F)F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587623074 YFGFWXAKSOKJQD-UHFFFAOYSA-N 408.221 6.055 0 1 HKAF C[C@H]1CCc2c(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)csc2C1 587662223 XYVFKWGZGCIIEM-AWEZNQCLSA-N 418.493 5.077 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc3cccnc23)N1 587692206 AWTOXRZVVYNPAJ-DGIBIBHMSA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2c(F)cccc2Cl)N1 587717444 GBNASDJGUHOMRH-AOOQMHFFSA-N 412.705 5.844 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)c(Cl)cc2Cl)N1 587720068 MHZLDKXDEGVVRY-CQLKUDPESA-N 421.112 5.832 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OC(F)(F)F)ccc2F)N1 587720289 MJVOKINIHLVBAJ-PWJLMRLQSA-N 422.191 5.250 0 1 HKAF COc1ccc(C)cc1C(=O)CCc1nc2cc(Br)c(C)c(C)c2[nH]1 587787614 OWGKHXMDDYYEAM-UHFFFAOYSA-N 401.304 5.075 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC/C2=C/c2ccccc2)N1 587816899 FRZREAQZEBULFC-BPSFDIBNSA-N 400.335 5.975 0 1 HKAF COc1ccc(-c2cccc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c2C)c(OC)c1 587930200 QWGWDFBMARCHAB-UHFFFAOYSA-N 414.292 5.924 0 1 HKAF C[C@]1(c2cc(F)c(Br)cc2F)NCCc2cc(-c3ccccc3)ccc21 962657269 AIUNSWDEMJYAQX-QFIPXVFZSA-N 414.293 5.804 0 1 HKAF COc1c(Cl)ccc([C@@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)c1F 962697871 GSYYUOPWNWSIQN-YEJXKQKISA-N 409.929 5.254 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccccc2C(F)(F)F)(C(C)(C)C)N1 962963960 XKPLNBDJRYXAMP-CMJOXMDJSA-N 400.488 6.401 0 1 HKAF COc1cccc(-c2ccc([C@]3(C)NCCc4cc5cccc(OC)c5nc43)cc2)c1 963066995 MKMYKKWJRUMFQT-MHZLTWQESA-N 410.517 5.328 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CCc1ccccc1)c1ccccc1C 963603208 BNGZKCAVEQWUIG-CCLHPLFOSA-N 401.550 5.423 0 1 HKAF O=C(O)CCc1ccc(OCc2cccc(-c3ccccc3C(F)(F)F)c2)s1 1772642567 ANNJAFXEJJJKMT-UHFFFAOYSA-N 406.425 6.030 0 1 HKAF CC[C@H](C=C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 1857578869 HCXVJBMSMIARIN-MHHBOJDBSA-N 412.702 7.801 0 1 HKAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(CC[C@@H](Cc6ccccc6)C5)[C@@]3(C)[C@@]4(C)[C@@]21O 2356370224 NOASNVCWMDMJSW-MMBAFJEPSA-N 408.582 5.290 0 1 HKAF CC=C(C)C(=O)OC[C@@H]1[C@H](OC(=O)C(C)=CC)CC[C@H]2Cc3occ(C)c3C[C@]21C 2356451428 GESXOZGUMUECSU-FXWJEBAPSA-N 414.542 5.107 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 2356599097 NGLLGTNDMOTXMC-AJUCFHBPSA-N 414.718 8.025 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)[C@H](CO)[C@H]1CC3 2356655885 ORZKEIGPXNMCHC-VNLHEESVSA-N 414.674 6.671 0 1 HKAF COC(=O)CC(=O)OCC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CCc1ccoc1 2356660928 VPURRDSZEMLSDB-XKRLJTCWSA-N 402.531 5.097 0 1 HKAF CC(=O)OC[C@H](O)COC(=O)C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C 2356669368 YRLGSSSUMSWYFS-DEOSSOPVSA-N 420.590 5.599 0 1 HKAF C=CC(C)=CC[C@]1(C)[C@H](C)CC[C@]23C(=CCC[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O 2356684709 VETHZFSKKYINKU-CHBMXNDKSA-N 402.531 5.076 0 1 HKAF C[C@@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@H]2C(=CC=C3C[C@@H](O)CC[C@H]3C)CCC[C@]21C 2356693251 DQKNOQRSTKDKAN-LACHIMHFSA-N 418.662 5.785 0 1 HKAF C[C@@H](CC=CC(C)(C)O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356707971 CRBBVTAXSNJDMS-AFRHYULMSA-N 400.647 6.280 0 1 HKAF CC(C)[C@H](O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356732601 ZNCHPOYZMVVJCK-ZTGPXAJRSA-N 418.662 5.330 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]([C@@]5(C)C=CC(=O)O5)[C@@]4(C)CC[C@@H]32)C1 2356789508 DJQATLMJYHINQJ-MVCIVNJCSA-N 412.570 5.369 0 1 HKAF Cc1cc(Br)cn2c(Cc3ccccc3)c(-c3ccc(Cl)cc3)nc12 199201320 GTXZQNJSOOHCHA-UHFFFAOYSA-N 411.730 6.316 0 3 HKAF O=C(Nc1cc(Cl)ccc1Cl)c1cc2cccc(Br)c2oc1=O 1616263 HFGYNHSOQJDCMN-UHFFFAOYSA-N 413.054 5.115 0 1 HKAF Cc1cc(O)cc2c1O[C@@]1(C)CC[C@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@H]1C2 6484521 LRMHPGVONLYGQD-INUMEGGFSA-N 412.614 6.024 0 1 HKAF CC[C@]1(c2ccc(/C=C/c3ccccc3)cc2)Oc2ccccc2-n2cccc2C1=O 13675360 FONLVMGOYAAONO-FCAYZRQCSA-N 405.497 6.528 0 1 HKAF Nc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)c1 13741225 BFZAPHQNEMKJIT-SANMLTNESA-N 406.529 5.501 0 1 HKAF CC(=O)Oc1ccc(C(=O)Nc2cc(NC(=O)CCC3CCCCC3)ccc2C)cc1 13757493 FOUFNSPRFFRKSN-UHFFFAOYSA-N 422.525 5.472 0 1 HKAF FC(F)(F)c1cc(Nc2nc3cc(Oc4ccncc4)ccc3[nH]2)ccc1Cl 14965231 NWABOGDQPNUAEX-UHFFFAOYSA-N 404.779 6.166 0 1 HKAF c1ccc(CN[C@@H]2C3C[C@H]4CCC[C@H](C3)N4[C@H]2C(c2ccccc2)c2ccccc2)cc1 26721376 KQKNMRPRNMBGPX-OQGMSKNBSA-N 422.616 5.992 0 1 HKAF Cc1cccc(-c2[nH]c3ccccc3c2CCNCCCCc2ccc(O)cc2)c1C 27561588 AHCINGBAPGVBBF-UHFFFAOYSA-N 412.577 6.312 0 1 HKAF CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(C(F)(F)F)ccc21 28527499 ITHMFVZZJOFTDA-UHFFFAOYSA-N 408.508 5.376 0 1 HKAF O=C(NC1CCCCC1)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1 28702463 HNQCVIGOPRZZGB-UHFFFAOYSA-N 414.336 5.909 0 1 HKAF in-vitro O=C(Nc1ccc(CCN2CCc3ccccc3C2)cc1)c1cnc2ccccc2c1 29064344 QEJZMMQJUXSSHX-UHFFFAOYSA-N 407.517 5.088 0 1 HKAF COc1ccc(-c2cn3c(-c4ccc(Cl)cc4Cl)c(CN)c(C)nc3n2)cc1 38268592 UZHXVSYCJNPPMT-UHFFFAOYSA-N 413.308 5.146 0 1 HKAF CC(C)c1nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c(=O)[nH]1 40395253 KPEQDIMLMKNWLV-UHFFFAOYSA-N 410.304 6.082 0 1 HKAF O=C(NCCCNc1ccc2ccccc2n1)c1cc2c(Cl)cc(Cl)cc2[nH]1 45201664 KOFMWNXBNGUSOK-UHFFFAOYSA-N 413.308 5.255 0 1 HKAF Cc1cc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)nc(-c2ccccc2)n1 49047785 PDKGFOSJNKVHSS-HXUWFJFHSA-N 408.549 5.694 0 1 HKAF CC1CCC(NCc2ccc3c(c2)Cc2c-3n[nH]c2-c2ccc3c(c2)OCO3)CC1 71788707 JBDXLQIKYJYSSY-UHFFFAOYSA-N 401.510 5.045 0 1 HKAF CC1(C)CC2=Nc3ccccc3N(C(=O)C3CC3)[C@H](c3ccc(Cl)cc3)C2=C(O)C1 103886307 FRUIDNPKMRIFQV-HSZRJFAPSA-N 420.940 6.543 0 1 HKAF CSc1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)cc1 103887743 SCHFMHXUXFPLTO-UPCLLVRISA-N 418.587 7.099 0 1 HKAF C[C@H](Nc1nccc(N2C(=O)OC(C)(C)[C@H]2c2ccccc2)n1)c1ccc(F)cc1 142146707 UGIBGTCWKXSDKG-MGPUTAFESA-N 406.461 5.265 0 1 HKAF O[C@@]1(C(F)(F)F)c2ccccc2-c2c(-c3cnn(Cc4ccccc4)c3)cccc21 144859712 BZVDEUJLULCSPH-QHCPKHFHSA-N 406.407 5.377 0 1 HKAF COc1ccc(CCc2ccccc2OCc2ccc(OC)c(OC)c2)cc1OC 169311009 LEJVEIYGKMOKQX-UHFFFAOYSA-N 408.494 5.085 0 1 HKAF CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)[C@H](c2ccnc3ccccc23)NC(=O)N1 206468297 REUVFOBMQUHYFX-QFIPXVFZSA-N 423.501 5.015 0 1 HKAF C[C@H](CCC(=O)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C 255214460 HAJDPRAOKXTNST-AGQYDPJMSA-N 412.614 6.582 0 1 HKAF CC1(C)[C@@H](O)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@@H]5COC(=O)C5)CC[C@@]2(C)[C@@H]4CC[C@@H]13 255266240 SPPZJSWPWQTMPS-VUGRUASXSA-N 400.603 5.350 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(OCCN(C)C)cc3[nH]2)c1 586878990 NOJTWFHDOUTJNZ-UHFFFAOYSA-N 413.521 5.018 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(S(=O)(=O)O)ccc4[nH]3)cc2)CC1 586881952 YBDJZWPEJYQKEZ-QAQDUYKDSA-N 412.555 5.941 0 1 HKAF CC(=O)N[C@@H](Cc1nc2ccc(C(C)(C)C)cc2[nH]1)c1ccc(Br)cc1 586984502 GHGHKTVVTFHCFX-SFHVURJKSA-N 414.347 5.043 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1c([nH]c2ccc(Cl)cc12)CC3 586987028 XRBFVKPLHVMRNE-UHFFFAOYSA-N 422.871 6.052 0 1 HKAF Cc1ccc(-c2nc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c(C)s2)cc1 587012305 AFZWXQZCDAOLGC-UHFFFAOYSA-N 409.824 5.384 0 1 HKAF FC(F)(F)Oc1cc(Br)c2[nH]c(CNc3ccccc3Cl)nc2c1 587061365 FIHVVKUBOXNVED-UHFFFAOYSA-N 420.616 5.490 0 1 HKAF Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cccnc3[nH]2)cc1 587076464 MLWKIRKGTCGWHD-PEZBUJJGSA-N 408.892 6.313 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 587077252 SOHOAAAOMUCKEC-CQSZACIVSA-N 400.187 5.506 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c2c1 587109337 MMMMUBNZSZJTAT-UHFFFAOYSA-N 410.351 5.178 0 1 HKAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3cc(Br)cc(Cl)c3[nH]2)n1 587118172 OIRZSRLKWPNWAF-UHFFFAOYSA-N 419.632 5.120 0 1 HKAF FC(F)(F)Oc1cccc(CSCc2nc3c(Cl)c(Cl)cnc3[nH]2)c1 587125760 UBUMZHUDHHQCRM-UHFFFAOYSA-N 408.232 5.597 0 1 HKAF FC(F)Oc1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)cc1 587131139 ZKNKWMCORKTNCC-UHFFFAOYSA-N 418.035 5.356 0 1 HKAF Fc1ccc(F)c(SCc2cccc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c2)c1 587141377 POSIQOSWJCEUFY-UHFFFAOYSA-N 421.394 6.214 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1F 587152375 ZXJSWNKTJVILKE-SFHVURJKSA-N 405.326 5.423 0 1 HKAF CCc1ccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2c1 587161318 PKGXLGWUUDIBDT-UHFFFAOYSA-N 412.262 5.881 0 1 HKAF CC(C)Cc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 587206480 LATXMJUMZSWQKD-UHFFFAOYSA-N 421.496 5.939 0 1 HKAF COc1ccc2cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c(=O)oc2c1 587209731 UFPANGUAASOWDV-UHFFFAOYSA-N 405.409 5.228 0 1 HKAF C[C@]12Cc3c(nc4cccc5c4c3CC5)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 587215495 ILAYQRBUHXNNEA-PWIYMUGUSA-N 415.621 6.042 0 1 HKAF CC[C@@]1(C(C)(C)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348866 AYMLONCXWNGTCR-JYFHCDHNSA-N 404.481 6.017 0 1 HKAF CCc1ccc2oc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2c1 587358792 XMXRUWNCOROWLB-AHWVRZQESA-N 416.448 6.114 0 1 HKAF COc1cccc(-c2cc(C(=O)c3cccc(Cl)c3)nc3c2oc2ccccc23)c1 587359302 XOJMMEJOCWQRLG-UHFFFAOYSA-N 413.860 6.541 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(Br)cc1)O2 587373309 UCCSQJFWMMJWCI-QFIPXVFZSA-N 408.295 5.249 0 1 HKAF COc1ccc([C@]2(c3ccccc3Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587377855 KRMKSVBDAGROPC-DEOSSOPVSA-N 423.896 5.157 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(C)(C)C)nn(-c3ccccc3)c1Cl)O2 587378809 DRZIADZBCLXZDO-GOSISDBHSA-N 409.917 5.420 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1c(F)cccc1C(F)(F)F)O2 587382381 PFXZEOHCBWKRBM-QFIPXVFZSA-N 415.386 5.644 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1c(N)sc3c1CCCC3)O2 587384596 NEZUJCLZDNNRKO-DEOSSOPVSA-N 422.525 5.148 0 1 HKAF COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440193 AZHMBKRMEJFIPW-WHCXKFMVSA-N 412.485 5.077 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(C45CC6CC(CC(C6)C4)C5)ccc1O)[C@@H](C2)C3=O 587449152 HXGOMIBZJIWDBY-GCOIKJDHSA-N 416.517 5.357 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1sc3nc(C)c(C)c(C)c3c1N)CC2=O 587494828 LZUUALZDKLULSE-QHCPKHFHSA-N 410.539 5.342 0 1 HKAF C[C@]1(c2cccc(-c3ccccc3Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587504044 IDRWZSWFLNQYLY-AREMUKBSSA-N 402.921 6.766 0 1 HKAF COc1ccc(Oc2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522534 FLIRQSNHADHPTI-VWLOTQADSA-N 400.474 6.073 0 1 HKAF CCCCc1nnc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)o1 587523965 IMWQHPXYUZSBQW-QFIPXVFZSA-N 402.494 5.665 0 1 HKAF CC[C@]1(c2c(F)ccc(F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557806 OOINJPGUSGKOCK-XMSQKQJNSA-N 400.352 5.077 0 1 HKAF C[C@@]1(Cc2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602327 JDWIHSCGYHYMIE-NAKRPHOHSA-N 422.480 6.022 0 1 HKAF Cc1cc(Cl)cc2c(-c3ccccc3)c(-c3cc(Br)ccc3O)[nH]c12 587623243 BBHAKBIMGHYZPA-UHFFFAOYSA-N 412.714 6.932 0 1 HKAF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)Nc1ccc(I)cc1 587625005 YEWWSEDPEOFWMJ-UHFFFAOYSA-N 424.669 5.295 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(C(C)(C)C)cc3)c2c1 587642487 SLHIXCYCSSBQMZ-CQSZACIVSA-N 401.472 7.229 0 1 HKAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(F)(F)F 587714528 VTLZLGAIHWBNHQ-XLFHBGCDSA-N 418.228 5.239 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(NCc3ccccc3)CC2)N1 587742124 JMQPPXBIBUPHTP-MFPRGYPFSA-N 417.366 5.050 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 587780331 PYYUGEIHDOQIAK-UHFFFAOYSA-N 418.496 6.527 0 1 HKAF CCC[C@@H](CC1(c2nc3c(C)nc(C)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781065 DCOJEGBUPAENBX-NRFANRHFSA-N 419.569 5.936 0 1 HKAF Nc1cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2cn1 587784399 RQFMYKYTAXAETN-UHFFFAOYSA-N 406.489 5.377 0 1 HKAF Nc1nccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 587784719 VEYOIRYVRMXJQY-UHFFFAOYSA-N 406.489 5.377 0 1 HKAF Cc1cc(C)c(C(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587809841 BKLLXVJIXONVDJ-NYHFZMIOSA-N 418.350 5.536 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccccc2)N1 587812194 ITPJTCIYBGWFFB-QMHKHESXSA-N 410.330 5.609 0 1 HKAF CCc1cc(CC)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(CC)c1 587821734 XHAMBQLRFNMIBA-MCMMXHMISA-N 404.367 5.899 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SC3CCCCC3)o2)N1 587846518 URFXCFDXGWWFER-ODXCJYRJSA-N 424.379 6.230 0 1 HKAF CC[C@H](C(=O)Nc1cccc(-c2nc(-c3ccc(F)cc3)cs2)c1)c1ccccc1 587923180 SZCCWLURAAHUHJ-QFIPXVFZSA-N 416.521 6.749 0 1 HKAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c2)c1 587933792 VIQWSCUTGVLSCN-UHFFFAOYSA-N 420.468 5.842 0 1 HKAF COc1ccc(C2=Cc3ccc(F)cc3[C@@H](CC(C)=O)N2c2ccc(F)cc2)cc1 653786091 PNXWGAKEFPIVDK-RUZDIDTESA-N 405.444 6.012 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CC(=O)C(F)(F)F)(c2cc(C)oc2C)N1 962955410 SENIZEPVFSKXIQ-LHSJRXKWSA-N 404.432 5.067 0 1 HKAF COc1ccc(-c2cn3cc(-c4ccccc4)nc(NC(=O)c4ccccc4)c3n2)cc1 1772575603 HCXWEYBARNXDBL-UHFFFAOYSA-N 420.472 5.324 0 1 HKAF FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 1857565727 BWXKKFQODXKNLQ-UHFFFAOYSA-N 411.408 6.422 0 1 HKAF CCC(=O)N1CC[C@@]2(Cc3cccc(C)c3)c3ccccc3N(Cc3cccc(C)c3)[C@H]12 1857584298 MQZXOMPTUHROEC-URLMMPGGSA-N 424.588 5.773 0 1 HKAF C[C@H](c1ccc(C(=O)N2CCc3ccc(C(F)(F)F)cc32)cc1)N1CCCCC1 1911582951 PWEFJRIMPYDTQK-MRXNPFEDSA-N 402.460 5.455 0 1 HKAF CC1(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5[C@H](O)CC[C@@]5(C)CC[C@@]43C)[C@@]2(C)CC[C@H]1O 2356555549 ZAAKSNJFLXCMKA-SYSUQJAGSA-N 402.663 6.193 0 1 HKAF CC[C@H](C)CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]12C 2356658185 JBMWFOFITHEFEY-DXBKKHHHSA-N 404.635 6.462 0 1 HKAF CC[C@H](C)C(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3OC)n2)s1 8579131 OHVZATQYKCQODE-NSHDSACASA-N 402.545 5.312 0 3 HKAF aggregator C[C@@]1(c2nnc(-c3cccc(Cl)c3)o2)CC(c2ccc(OC(F)(F)F)cc2)=NO1 15935493 VXOYOYKMIDWNGI-SFHVURJKSA-N 423.778 5.328 0 3 HKAF COCCNc1nc(Nc2ccccc2Cl)c2sc(-c3ccccc3)cc2n1 61926654 BQICBTUTJCPYNN-UHFFFAOYSA-N 410.930 5.814 0 3 HKAF O=C1[C@@H](n2ccc3ccccc32)c2cc(Cl)ccc2N1Cc1ccc(Cl)nc1 206027534 CENOTKKUGNCKLS-NRFANRHFSA-N 408.288 5.479 0 3 HKAF Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1cccc(C(F)(F)F)c1 589045 BCIWBGOVEQJTBV-UHFFFAOYSA-N 414.214 5.759 0 1 HKAF COc1cc(O)c(C(=O)CCc2ccccc2)c2c1C[C@@]1(C=C[C@@H](C(C)C)CC1)O2 13308452 NVHLTNASIPVGQS-BCHFMIIMSA-N 406.522 5.512 0 1 HKAF biogenic CC1(C)C=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@]2(C)CC1 13385717 YVBDKBSSVHMQTJ-LNVXMQETSA-N 424.713 8.377 0 1 HKAF biogenic O=C(O)c1ccc(OCCCc2cc3c(cc2O)C[C@@H](CCc2ccccc2)O3)cc1 13453304 UBYBQLNYPJUZBV-HSZRJFAPSA-N 418.489 5.038 0 1 HKAF CC(C)(Cc1c[nH]c2ccccc12)NC[C@H](O)COc1ccccc1C1CCCCC1 26724806 YRHSUHPPGGMNSG-QFIPXVFZSA-N 420.597 5.566 0 1 HKAF O=C(O)CC/C=C\C[C@H]1CO[C@H](c2ccc(Cl)c(Cl)c2)O[C@@H]1c1cccnc1 27742536 IXVZMIJUOSLLMR-WWEAXDJFSA-N 422.308 5.602 0 1 HKAF Cc1ccc(OC(=O)n2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)cc1 27755880 LUISMOMOQFZFSL-UHFFFAOYSA-N 404.297 5.166 0 1 HKAF CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1ccccc1-c1ccccc1 28571106 FAMNQGOTAYPHOM-UHFFFAOYSA-N 423.400 7.023 0 1 HKAF CCCCC1=N[C@@](C)(C2CC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1 29412510 YRNINDDFRJVSHB-VWLOTQADSA-N 404.510 5.151 0 1 HKAF CCC1=C(c2ccccc2)c2ccc(OC[C@H](O)CO)cc2SCc2ccccc21 33889750 AVLURXTUGTUGMU-HXUWFJFHSA-N 418.558 5.393 0 1 HKAF CC(=O)Nc1ccc(Sc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1 34231970 ZLLVQOSTXBHAIP-UHFFFAOYSA-N 416.510 5.084 0 1 HKAF CCCc1cc(N)c2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1 36351742 FCCWHXNZERKPRB-UHFFFAOYSA-N 401.432 5.360 0 1 HKAF CCC(CC)CN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1nc2ccccc2s1 40412649 AMECZIMRCNITSJ-WOJBJXKFSA-N 408.523 5.098 0 1 HKAF c1ccc(CN(c2ccccc2)[C@H]2CCN(c3ccccc3)[C@H](c3ccccc3)C2)cc1 40422071 JSFMWJKZZNUJNH-KYJUHHDHSA-N 418.584 7.104 0 1 HKAF CC(C)N(C(=O)[C@@H]1C[C@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CCC(=O)N4C)[C@@]2(C)C1)C(C)C 40520491 VMAUAPIAAHKASV-CMRDYZCBSA-N 416.650 5.111 0 1 HKAF CCC[C@H](C)Nc1nc(C)cc(N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)n1 45186884 UIEFQYMVIXAMDH-AVRDEDQJSA-N 417.557 5.047 0 1 HKAF C[C@H]1CN(Cc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)cc2)C[C@H](C)O1 45230552 QQRFBSODQBDHOJ-ROUUACIJSA-N 415.512 5.645 0 1 HKAF COc1cccc2c([C@H](C)CN3CC=C(c4c[nH]c5ccc(F)cc45)CC3)coc12 45358562 BOFGPBNQTFGHGF-MRXNPFEDSA-N 404.485 5.955 0 1 HKAF O=C(c1ccccc1)c1cc(Cl)ccc1OCc1nc(-c2ccc(F)cc2)no1 49803754 IPHRPEPUUFZDNL-UHFFFAOYSA-N 408.816 5.339 0 1 HKAF COc1ccc(C(=S)Nc2cccc(NC(=S)c3ccc(OC)cc3)c2)cc1 66259984 HQFGVDCPUGVOTH-UHFFFAOYSA-N 408.548 5.279 0 1 HKAF C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(CCC3CCOCC3)C[C@@H]21 73160963 ZJWXPPLSZFSNGB-WRWLIDTKSA-N 420.519 5.601 0 1 HKAF CCCCNC(=O)c1cnc(N[C@@H](C)CC)nc1-c1ccc(-c2ccccc2)cc1 82159166 ZHFHNTWBOOGKMD-SFHVURJKSA-N 402.542 5.551 0 1 HKAF Cc1cccc(-c2ccc3c(c2)[nH]c(=O)c2nc(-c4c(F)cccc4Cl)[nH]c23)c1 96270709 KTVYEQQSGWOYNO-UHFFFAOYSA-N 403.844 5.839 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2n1c(Cl)nc2ccccc21 96927798 AACBJEQVBYBEAA-LAVOGBOOSA-N 423.000 6.464 0 1 HKAF CCOc1ccc(Cc2nc3cc(C(=O)N(C)CC)ccc3n2CCC(C)C)cc1 103256013 YKPOQYNBJYATAX-UHFFFAOYSA-N 407.558 5.164 0 1 HKAF Clc1ccc([C@H](NC2CCCCC2)c2ccc(-c3ncnc4[nH]cnc34)cc2)cc1 103265767 XKXBWWANDFQFGM-OAQYLSRUSA-N 417.944 5.685 0 1 HKAF c1ncc(-c2cc3c(cn2)[nH]c2ncc(-c4ccc(CN5CCCCC5)cc4)cc23)cn1 117455075 CJPWVSWHUPXWHU-UHFFFAOYSA-N 420.520 5.221 0 1 HKAF COc1ccc(C(=O)O[C@H]2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)cc1 169343659 XYPDLRAQFXTKIK-PRPRSFIFSA-N 400.603 6.899 0 1 HKAF Cc1ccc([C@H]2CC(c3ccc(Cl)c(Cl)c3)=NN2c2nc(O)cs2)cc1 169728205 HBORQRNCFMLINB-QGZVFWFLSA-N 404.322 5.820 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 255214302 GYDIPQRLDOTECG-AXMVWMCSSA-N 410.730 9.076 0 1 HKAF C[C@H](CCC(=O)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C 255237799 MUQXNAKELCHQEB-SOLRNLNJSA-N 416.646 6.453 0 1 HKAF O=C(O)[C@H]1CC[C@H](CNc2nc(Nc3ccccc3)cc(-c3ccccc3)n2)CC1 299820227 FPPFUGYLWPKNTA-UAPYVXQJSA-N 402.498 5.190 0 1 HKAF COC(=O)c1cc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2c(F)c1Nc1ccccc1 586896847 ZRRLRTPUSKLDGC-UHFFFAOYSA-N 417.440 5.018 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(Br)c(C)c2[nH]1 587014408 LEKBGGMSSSQIIW-UHFFFAOYSA-N 418.747 6.386 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(Cl)cc(F)c2[nH]1 587035275 UJQWABHFQHXEIQ-CQSZACIVSA-N 401.894 5.841 0 1 HKAF Cc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 587074809 COXPLVAZQQKDPX-SDXDJHTJSA-N 421.931 7.227 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@H]4Cc5cc(Cl)ccc5O4)[nH]c3c2)cc1 587080222 LIGQDIQXXJFBIU-OAQYLSRUSA-N 420.852 5.471 0 1 HKAF COc1cc(Br)ccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587101365 GDWNEVQTKBUGEC-UHFFFAOYSA-N 416.274 5.884 0 1 HKAF FC(F)(F)c1cccc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 587111400 BWPGCCRHIKFNIW-UHFFFAOYSA-N 420.026 5.774 0 1 HKAF CC(C)(C)c1ccc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c2c1 587112824 DHODEGRUZGFJRP-UHFFFAOYSA-N 421.488 5.751 0 1 HKAF CN1CCN(c2ccc3nc(/C=C/c4ccc(SC(F)(F)F)cc4)[nH]c3c2)CC1 587126220 WFGBRWUAWVLVSI-RUDMXATFSA-N 418.488 5.097 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c(Cl)c2)cc1F 587144641 BJCKZWJBQOHBNB-UHFFFAOYSA-N 422.784 7.156 0 1 HKAF Cc1c(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587165756 CGIMRDMCWIQXNU-UHFFFAOYSA-N 409.464 5.914 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1 587235455 NIMHUOJWFAENED-RTBURBONSA-N 423.582 6.265 0 1 HKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc(Br)c(F)cc3[nH]2)c1 587241668 FTBFHFKJZVQZJK-UHFFFAOYSA-N 404.283 5.506 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCc3cccc(Cl)c3C2)[C@@H]1c1ccc(F)cc1 587328922 KXBSHRQOWXNXDE-ISKFKSNPSA-N 408.856 5.471 0 1 HKAF CC1(C)O[C@H](c2ccccc2)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355668 FOCNSQLXXQUKSS-JCYRPKCISA-N 418.464 5.569 0 1 HKAF COc1ccc([C@H]2C[C@@H]2c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 587362977 NTBWKYYEGOVXTL-VWNXMTODSA-N 421.496 6.936 0 1 HKAF COc1cccc(-c2cc(-c3ccc(C)c4ccccc34)nc3c2oc2ccccc23)c1 587365217 IQJKISDMAWFVPQ-UHFFFAOYSA-N 415.492 7.785 0 1 HKAF COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCc1ccccc1F 587384154 BKUGRCSVJAKSHC-QFIPXVFZSA-N 407.441 5.010 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(C)c(C)c3)nc3c(C)cccn13)O2 587393285 DZSFTNQYSWJTGS-QFIPXVFZSA-N 411.505 5.524 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(C)(C)C)[nH]c3ccc(-c4ccccc4)cc13)O2 587397472 WFLNHIQDCIGTSY-DEOSSOPVSA-N 424.544 6.730 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4ccccc4)c(F)c1)[C@@H](C2)C3=O 587426875 QTPAPVVPXAQANU-DFBJGRDBSA-N 404.437 5.076 0 1 HKAF COc1cccc(Sc2ccccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587449808 CYFYUHOSWKBENI-NTKDMRAZSA-N 404.487 5.344 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3ccc(Br)cc13)CC2=O 587457736 BYUJYPZXJGEHAE-LJQANCHMSA-N 400.272 5.295 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc3c(C(F)(F)F)nn(C)c3s1)CC2=O 587464689 WDMVJPQYCRUCGL-AWEZNQCLSA-N 410.417 5.018 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc3c(cc1C)C(C)(C)[C@@H](C)C3(C)C)CC2=O 587491274 VMMKAELSMGSFOT-JYRCXFKTSA-N 420.593 6.739 0 1 HKAF Cc1ccc([C@@]2(c3oc4ccccc4c3N)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587509776 IZAGTQUDSYNMJI-MUUNZHRXSA-N 423.512 6.111 0 1 HKAF CC(C)(C)c1nn(-c2ccccc2)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513489 AKXCCFJAEDLMFS-HSZRJFAPSA-N 400.522 5.755 0 1 HKAF CC(C)(C)c1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc(C(C)(C)C)c1O 587532294 KVOZVHLVUABBNZ-MUUNZHRXSA-N 420.593 6.747 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(C(F)(F)F)cc12 587542616 ALCVXOGPUVZXEA-KNQAVFIVSA-N 412.363 5.214 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(OCC2CC2)c1 587555184 FRVFFCLFFFSIMI-XUZZJYLKSA-N 406.409 5.023 0 1 HKAF C[C@]1(c2cccc(-c3cccc(N)c3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575104 APAYYXQUAMWOHQ-RPLLCQBOSA-N 423.468 5.518 0 1 HKAF CC[C@H](C)c1ccc(OC)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587594919 PWUKNYNVBPJXDF-PZQJFTFDSA-N 404.462 5.617 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCOc1c2ccc2ccccc12 587609087 MEDAGHNYNYSNJV-YIXXDRMTSA-N 424.452 5.575 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CC1CCOCC1)c1ccccc1 587611541 SPJSLNGZPLFEIR-ZEQKJWHPSA-N 416.473 5.066 0 1 HKAF O=C(c1ccc(Cl)c(Cl)c1)c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587627913 FJWRXDCTSNVZSB-UHFFFAOYSA-N 410.581 6.517 0 1 HKAF Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 587678044 MSSZALBXUREBAQ-DYZYQPBXSA-N 413.128 5.283 0 1 HKAF Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1Cl 587697441 WESYERKQYFRGBQ-VVVCHXIZSA-N 403.122 5.827 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3cc(F)ccc32)N1 587731124 KJXGLDQQAOXIOU-GIPWTMENSA-N 408.286 5.066 0 1 HKAF CC[C@H](C)Oc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587791709 KNRWTNPHWKMKCL-BHVCSQLQSA-N 422.338 5.398 0 1 HKAF CCCCCCc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587815253 LJJARHXELMYJCX-MWTRTKDXSA-N 418.394 6.509 0 1 HKAF CC(C)c1cccc2c1OCCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587834311 KSEZIYXCBOCUBP-FPTDNZKUSA-N 418.350 5.662 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccsc3)n2)N1 587852784 IXIQWHYSRRSVBY-JEOXALJRSA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1ccc(C)cc1 587860207 QWECHURBXSLNPU-UHFFFAOYSA-N 421.349 5.997 0 1 HKAF COc1ccc(-c2ccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)cc2)cc1OC 587929542 WLNRSMPSBCKZNT-UHFFFAOYSA-N 402.347 5.471 0 1 HKAF COc1ccc2[nH]c3c(c2c1)CC[C@]1(C3)c2ccsc2CCN1Cc1cccn1C 962398379 NEIAGPBXUDNKJT-VWLOTQADSA-N 417.578 5.019 0 1 HKAF Fc1cc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c2ncccc2c1 962948776 BVKBAFVSPIMFKR-OAQYLSRUSA-N 416.418 5.134 0 1 HKAF CC(C)(C)c1ccc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cn1 962964818 ZTQQNBPOXXETJE-HXUWFJFHSA-N 404.476 5.139 0 1 HKAF Cc1cc(C)c2ccc([C@H]3c4ccsc4CCN3Cc3cccnc3)nc2c1O 962997717 SPALSEBAWSFUIS-HSZRJFAPSA-N 401.535 5.161 0 1 HKAF Cc1sc2c(c1C)CCN[C@H]2c1cc(Br)ccc1N1CCCCC1 963022857 KSXZMQCKWSFBNG-IBGZPJMESA-N 405.405 5.353 0 1 HKAF Cc1[nH]nc2ccc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3-c3ccco3)cc12 1772609681 ZXKIMQBQWUXUAJ-QHCPKHFHSA-N 410.477 5.339 0 1 HKAF COc1ccc(C(F)(F)F)cc1-c1cccc([C@@H](CC(=O)O)c2nccs2)c1 1772614865 XCRZVBUSYCJTMH-MRXNPFEDSA-N 407.413 5.444 0 1 HKAF O=C(CCc1ccccc1)Nc1cccc(-c2nc3ccc(Br)cc3[nH]2)c1 1911571519 IPMKACLQKVBVRU-UHFFFAOYSA-N 420.310 5.564 0 1 HKAF CC=C(C)C(=O)O[C@H]1[C@@H](C)[C@@]2(C)Cc3c(C)coc3C[C@H]2C[C@H]1OC(=O)C(C)=CC 2356550504 VFXPFKHNRXPZTI-ARMDJMIXSA-N 414.542 5.105 0 1 HKAF COc1cc2c(c(O)c1CC=C(C)CCC=C(C)C)C(=O)N(CCc1ccccc1)C2 2356570739 ULSKNVPXNYBAQZ-UHFFFAOYSA-N 419.565 5.835 0 1 HKAF CC[C@H](C)CC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356614877 LXKSWJFJHIURPU-IQFFLNQOSA-N 402.707 7.859 0 1 HKAF CCCCCC=CCC=CCCCCCCCC(=O)NCCCNCCC(=O)O 2356654718 IAORULDJULCWPV-UHFFFAOYSA-N 408.627 5.371 0 1 HKAF O=C(Nc1ccccc1Cl)O[C@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1[C@H]2Cc1ccccc1 263590679 HSEKZLXNJCDVBI-ZIPGFTOQSA-N 424.972 5.763 0 3 HKAF COc1ccccc1[C@@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 13741238 FPYRIFNCEWMAJB-AREMUKBSSA-N 421.540 5.927 0 1 HKAF O=C(COc1ccc(Cl)c(Cl)c1C(=O)c1ccccc1)Nc1ccccc1 13741297 IEQJYVOWNXVHRZ-UHFFFAOYSA-N 400.261 5.242 0 1 HKAF CC(C)c1nn(-c2ccccc2)c(-c2ccc(F)cc2)c1CC[C@@H]1CC(=O)CC(=O)O1 27216884 FLLTWRLSCMMDTF-OAQYLSRUSA-N 420.484 5.009 0 1 HKAF CCc1nc(/C=C/[C@H]2[C@@H]3CCCCC3=C[C@H]3C(=O)O[C@H](C)[C@@H]23)ccc1-c1ccccc1 28823098 UJUCMAZGTPAJAB-LPMKHGSZSA-N 413.561 6.248 0 1 HKAF Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(C(F)(F)F)cc32)cn1 29548147 RHQYPQDEUOMJHQ-UHFFFAOYSA-N 414.387 5.191 0 1 HKAF Cc1cnc([C@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)c(O)c1 39181117 RODDEOSIMRCKKR-QWMOJLDXSA-N 409.614 6.139 0 1 HKAF biogenic CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOc1ccc(C(=O)O)cc1 39203756 SGRGPOIYMVSOAA-RBZQAINGSA-N 418.662 8.229 0 1 HKAF Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(C(C)(C)O)c2)c1 45388319 MMQLCGFOEBSWCN-UHFFFAOYSA-N 403.909 6.883 0 1 HKAF CCCCCCN1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@H](O)C[C@@H]1c1ccccc1 72104341 VZAAKSNVIDZHKA-DSNGMDLFSA-N 422.548 5.014 0 1 HKAF Nc1nccc2c1ccn2-c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 72177211 LCZAJDBJQTWMGQ-UHFFFAOYSA-N 411.387 5.271 0 1 HKAF Fc1ccc(N2CCC(N[C@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)cc1 72185964 CZOVDRWGLAATBO-HSZRJFAPSA-N 413.899 5.361 0 1 HKAF CCCCCCOc1ccc(-c2nc(C(=O)NCCCOCCCC)co2)cc1 82074711 IZFMCGLSNZDQHH-UHFFFAOYSA-N 402.535 5.237 0 1 HKAF Cc1cccc(-c2nc(NCC3CCCCC3)ncc2C(=O)NCC2CCCCC2)c1 82145155 VEOFHKZVYGTZHJ-UHFFFAOYSA-N 420.601 5.754 0 1 HKAF c1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)cc1 82163262 LSADMMUPSNKDAY-UHFFFAOYSA-N 420.541 6.546 0 1 HKAF O=C(O)CCc1ccc(OCc2ccccc2-c2ccc(Br)cc2)cc1 84704986 FRPBWFMWQXMMNG-UHFFFAOYSA-N 411.295 5.712 0 1 HKAF COc1ccc(N(C(=O)CNc2ccccc2Nc2ccccc2)C2CCCC2)cc1 84738842 STTVFCCABJZTDV-UHFFFAOYSA-N 415.537 5.827 0 1 HKAF Nc1cc(Cl)ccc1Cn1cncc1CNc1ccc(F)c(-c2ccccc2)c1 85679169 HUCAHWFEYDVYOP-UHFFFAOYSA-N 406.892 5.585 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 96086382 HGGDUZQCHPXQPL-HKCJOCERSA-N 414.674 6.382 0 1 HKAF in-vitro CN1C(=O)CC(c2ccc(C(=O)O)cc2)=Nc2cc3c(cc21)C(C)(C)CCC3(C)C 100792354 OQZYKMGLOGZVEU-UHFFFAOYSA-N 404.510 5.221 0 1 HKAF c1ccc(CCN2[C@H]3CC[C@H]2CC(OC2c4ccccc4CCc4ccccc42)C3)cc1 101957812 KEGNCHJKYCGHJN-UIOOFZCWSA-N 423.600 6.129 0 1 HKAF CCc1ccc([C@]2(OC)C=CC(C3CCCCCC3)(C3CCCCCC3)OC2)cc1 103205170 WXZMVCUIQPPEHH-MHZLTWQESA-N 410.642 7.357 0 1 HKAF CCCCC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1ccccc1OC 103921859 PILZLZIIFZGKBE-RUZDIDTESA-N 404.510 6.042 0 1 HKAF Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cnccn3)cc(-c3scnc3C)c2)cc1 113767052 IMMYKGQHFCLMCG-MRXNPFEDSA-N 414.534 5.375 0 1 HKAF C[C@H](Nc1nccc(N2C(=O)OC[C@@]2(C)c2ccccc2)n1)c1ccc2ccccc2c1 142094920 SPJPSMORQMJUML-QYBDOPJKSA-N 424.504 5.675 0 1 HKAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)O[C@@H]3[C@@H](C)CCC[C@H]3C)CN(C)[C@H]1C2 253648681 WRVDEIUJUYJDJD-WOABODPWSA-N 422.613 5.550 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C 255193380 AGVCHWQWQGSFDP-RRVFYQKXSA-N 410.686 7.721 0 1 HKAF C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2C 255212562 GMBQZIIUCVWOCD-KTPOJUASSA-N 416.646 5.794 0 1 HKAF CC(=O)n1c2cccc(Cl)c2c2cc(-c3ccc(Br)cc3)nnc21 299823416 FXXMEDQPXSZUKO-UHFFFAOYSA-N 400.663 5.328 0 1 HKAF CC(C)Oc1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 586966143 HCLHXLCJLLGCOQ-UHFFFAOYSA-N 419.554 5.160 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1c(Cl)cc(Cl)nc1CC3 586986511 MMIYWHDVOXJPNM-UHFFFAOYSA-N 419.267 5.619 0 1 HKAF Cc1ccc2c3c(cc(-c4cccc(OC(F)(F)F)c4F)nc13)-c1ccccc1C2=O 586996736 RXQCXGKHCHZUIL-UHFFFAOYSA-N 423.365 6.459 0 1 HKAF Cc1nc2c(C)ccc3c2c(c1Cc1ccc(OC(F)F)cc1)-c1ccccc1C3=O 586997333 XEGIHAPYSZKEOQ-UHFFFAOYSA-N 415.439 6.255 0 1 HKAF COc1cc(/C=C\c2nc3cnc4ccccc4c3[nH]2)cc(Cl)c1OCC(C)C 587046997 QYVSHOHVPCWNPP-HJWRWDBZSA-N 407.901 5.978 0 1 HKAF COc1cccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c(Cl)c2)c1 587052344 OWMNGTDDSCRYCL-UHFFFAOYSA-N 406.869 5.720 0 1 HKAF CC(=O)n1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c2cc(C)cnc21 587097994 MRJJJTPNPHAUCI-UHFFFAOYSA-N 417.468 5.740 0 1 HKAF CCOc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 587107741 VDOBOCUZPKVPNL-UHFFFAOYSA-N 409.441 5.139 0 1 HKAF Fc1ccc(S)cc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587141293 OEGLYYCLPSHWAB-UHFFFAOYSA-N 407.186 5.319 0 1 HKAF CC(C)(C)OC(=O)N[C@H](c1nc2cc(Br)c(F)cc2[nH]1)C1CCCC1 587224245 GTDWCUJQDVEYNS-HNNXBMFYSA-N 412.303 5.221 0 1 HKAF Oc1ccc(Nc2cccc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)c2)cc1 587242208 JCXVBHGLUBWFSK-UHFFFAOYSA-N 407.473 6.258 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCCc3ccc(F)cc32)[C@@H]1c1ccc(F)cc1 587329148 CJJMCVVGDJWSMC-NOZRDPDXSA-N 406.428 5.651 0 1 HKAF CC(C)CC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352473 JKXGLAXQOCYAQG-AZGAKELHSA-N 404.481 6.222 0 1 HKAF CCC[C@@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354593 OAZONAANEZIIBV-RSXGOPAZSA-N 404.481 6.062 0 1 HKAF COc1cccc(-c2c(Cc3n[nH]c4ccccc34)c(C)nc3c2oc2ccccc23)c1 587364158 YEALARKOFKPVDY-UHFFFAOYSA-N 419.484 6.432 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccccc2[C@H]3CC(=O)O)c1 587365311 FUKUZLUJMRIFAO-HXUWFJFHSA-N 421.452 6.244 0 1 HKAF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587499874 NNVSPMMAVWTIMN-FQEVSTJZSA-N 423.896 5.583 0 1 HKAF CC[C@@]1(c2ccc(Cl)c(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587505072 TXHYKAZXKHMFLW-NRFANRHFSA-N 419.746 6.252 0 1 HKAF O=C1C[C@](CCOc2ccccc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587506230 RCASBNLPQBMXJK-HHHXNRCGSA-N 416.492 6.034 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(Cl)o1 587538229 DLYDEQWHDYAEFN-WMLDXEAASA-N 421.630 5.104 0 1 HKAF C[C@@]1(c2c(Cl)cccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547940 VKNHNPCXGRQBAQ-RXVVDRJESA-N 401.245 5.576 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(OC(F)(F)F)ccc1F 587553145 DXCQIKGXOIFWHZ-PXNSSMCTSA-N 420.314 5.133 0 1 HKAF COc1ccc(-c2ccccc2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587598518 BJJZQJSKOVJJFE-SHQCIBLASA-N 424.452 5.771 0 1 HKAF Cc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603730 RFELUEIOTGDWHV-RPLLCQBOSA-N 408.453 5.606 0 1 HKAF Cc1ccc(-c2csc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)cc1 587613767 QCBYKDXLYCYBAO-OFNKIYASSA-N 415.470 5.527 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2nccs2)cc1 587619117 QVCWDOQGPQAAEN-UGKGYDQZSA-N 401.443 5.219 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(-c3ccccc3)c2c1 587638207 CNFZWHFNCPOTOC-MRXNPFEDSA-N 404.351 7.778 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C)c(Oc3ccc4cc(Br)ccc4c3)c2c1 587638297 FMQIJJZRUQQACT-CQSZACIVSA-N 408.339 7.698 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2CCC(F)(F)F)N1 587708777 DMPQLBPRZJAWOX-ZMZPIMSZSA-N 416.256 5.707 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)c(Cl)c2)N1 587716289 ZEIUILOVLUDHPC-BCTVWOGZSA-N 422.647 5.884 0 1 HKAF COc1cccc(OCc2ccc(-c3nc4c(Br)cccc4[nH]3)cc2)c1 587780902 LJOUGHAZVFQTKB-UHFFFAOYSA-N 409.283 5.580 0 1 HKAF CC(C)[C@@]1(COCc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587802658 SYPGYLQGFMJUQP-YCRPNKLZSA-N 406.339 5.191 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SC(C)(C)C)cc2)N1 587841154 QDABFAMVLFJXLW-BLVKFPJESA-N 408.380 6.102 0 1 HKAF Cc1cc(Br)sc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587844013 LIQFQOPMPBPBGE-CLAHSXSESA-N 419.157 5.344 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nnc(Cl)c2ccccc12 587855144 JUBSRVUSTYEUGD-UHFFFAOYSA-N 419.699 5.841 0 1 HKAF CC(C)(C)OC(=O)Cc1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587922426 DEQIRTBSGQFGHH-UHFFFAOYSA-N 408.498 5.982 0 1 HKAF CN1CCN(c2ccc3nc(/C=C\c4ccccc4Oc4ccccc4)[nH]c3c2)CC1 587950443 QRICLLFWOXDFBS-KAMYIIQDSA-N 410.521 5.277 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc2c1 587965074 NIONAQAVCKLERK-UHFFFAOYSA-N 400.366 6.440 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(/C=C/c3cccc4ccccc34)nc2c1 587968686 NXTBOFYPUPSLNF-CMDGGOBGSA-N 406.329 6.924 0 1 HKAF C[C@H](CCNCCC12CC3CC(CC(C3)C1)C2)Nc1ccnc2cc(Cl)ccc12 653692827 RAMTZOVPPUAYHY-KNEUKCCGSA-N 412.021 6.275 0 1 HKAF Cc1ccccc1[C@]1(C[C@H](C)CC(=O)O)c2ccsc2CCN1Cc1cccn1C 962376827 QVYZSIDDGLDBMY-IQGLISFBSA-N 422.594 5.198 0 1 HKAF COc1ccc2c(c1OC)[C@H](c1cccc(OCc3cccc(F)c3)c1)N(C)[C@H](C)C2 962569056 MBLANPLOOHEHNH-NSYGIPOTSA-N 421.512 5.388 0 1 HKAF COc1cc2c(cc1OC)[C@]1(NCCc3c1sc(C)c3C)C(c1ccccc1)=CO2 963004058 ACHXZPKNRHZBSC-VWLOTQADSA-N 419.546 5.205 0 1 HKAF COc1ccc2c(c1)[C@@]1(c3ccc(Cl)cc3C[C@@H]1C)N(Cc1ccc(F)cc1)CC2 963302549 OFCUEGIRWDXASH-MRDQGFSESA-N 421.943 5.982 0 1 HKAF Cc1cc(NC(=O)Nc2cccc(Cl)c2)ccc1OCc1nc2ccccc2s1 1857615656 WLAYNHGQTJYEPP-UHFFFAOYSA-N 423.925 6.481 0 1 HKAF c1ccc(OCCN2CCN(CCCC(c3ccccc3)c3ccccc3)CC2)cc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c1cccc(-c2cc3nc(NCc4ccc5occc5c4)n(C)c(=O)c3s2)c1 61905851 GJYUWPPAVQQBCK-UHFFFAOYSA-N 417.490 5.029 0 3 HKAF C[C@H]1[C@@H](OC(=O)Nc2ccc(C(F)(F)F)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205708601 QSVAQLDVZCHVGO-BBTHKVSRSA-N 424.463 5.214 0 3 HKAF CC(C)c1ccc(C2=C(C(=O)O)[C@@H](c3ccc4c(c3)OCO4)Oc3ccccc32)cc1 13473355 VQPKQBMUTVZRRZ-RUZDIDTESA-N 414.457 5.559 0 1 HKAF Cc1cccc(C)c1NC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C 26954797 QAHXIOGYJOSPBU-KEVYGHODSA-N 420.597 5.155 0 1 HKAF Cc1cc(Sc2ccc(N)cc2)cn2c(CSCCc3ccccc3)cnc12 40866471 UDTRONHXFWOGQE-UHFFFAOYSA-N 405.592 5.852 0 1 HKAF S=C(Nc1ccccc1)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 45257220 OJXSOPZCCPSLTL-UHFFFAOYSA-N 405.914 5.836 0 1 HKAF COc1ccc(Nc2nc(C)cc(NCc3ccc(-c4c(C)noc4C)cc3)n2)cc1 45335364 DJNNKMRXPGAZGO-UHFFFAOYSA-N 415.497 5.421 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(=C\C[C@@H](O)C1=CC(=O)OC1)CO 96085817 VILQISSGAQMQCL-QAXNIAIFSA-N 402.575 5.339 0 1 HKAF Fc1ccc(CN(Cc2nc3ccccc3[nH]2)c2ccc(Cl)cc2Cl)c(F)c1 96922172 OTXUREMKFVULHY-UHFFFAOYSA-N 418.274 6.355 0 1 HKAF Oc1ccc([C@H]2N=C(N3N=C(c4ccccc4)C[C@H]3c3c(F)cccc3F)S2)cc1 98082629 AJXXHHMPMWUKID-UNMCSNQZSA-N 421.472 5.623 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1 98176753 DEODPADYZFXAGB-KRWDZBQOSA-N 423.431 5.246 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118941136 RHAPOGOMBGUDQA-RQDYSCIWSA-N 400.647 6.568 0 1 HKAF C/C(=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CC(C)C 137557707 BGSMFVUPLGHSLT-HAIZMMOVSA-N 400.691 7.635 0 1 HKAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(c1ccccc1)CCN2CCC(=O)c1ccccc1 169315281 IJRGONZJOZHJBX-GFNGZDJJSA-N 411.545 5.218 0 1 HKAF C[C@H]1CC[C@@]2(NC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@@H]2C 255224288 KWVISVAMQJWJSZ-OLTSLPATSA-N 413.646 5.287 0 1 HKAF C[C@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@@H]2C 255282622 XYNPYHXGMWJBLV-QSDRTFLWSA-N 415.662 5.367 0 1 HKAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 586964089 UNBNBPGBFFBUAN-LJQANCHMSA-N 406.511 5.189 0 1 HKAF CN(C)C(=O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1 586975231 KBYFGHFKADPHTB-UHFFFAOYSA-N 413.102 5.001 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(F)cc(C(F)(F)F)c3)nc3ccc(O)c1c23 586986359 LKJVWUOWSXWNSD-UHFFFAOYSA-N 409.338 5.977 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(C(F)(F)F)c(F)c3)nc3ccc(O)c1c23 586987426 VYLCJFCOPQWFLQ-UHFFFAOYSA-N 409.338 5.977 0 1 HKAF Cc1ccc2c3c(cc(/C=C/c4ccc(C(F)(F)F)cc4)nc13)-c1ccccc1C2=O 586994019 UOSCQDFPRJWIRX-FMIVXFBMSA-N 415.414 6.944 0 1 HKAF c1csc(SCc2c(-c3nc4ccc5c(c4[nH]3)CCCC5)oc3ccccc23)c1 587012542 ZCBROPBLFNIHKG-UHFFFAOYSA-N 416.571 7.209 0 1 HKAF Clc1ccc(-c2nc(-c3ccccc3)c(Cc3nc4cnccc4[nH]3)s2)cc1 587013587 RVYUDXIBUNGWIZ-UHFFFAOYSA-N 402.910 5.993 0 1 HKAF Fc1cc(F)c2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2c1 587063840 AGGZHWZSAQIWOA-UHFFFAOYSA-N 423.850 6.195 0 1 HKAF COC(=O)c1ccc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 587072768 WMHGTIIVQKMSMT-WTAPAWHGSA-N 415.320 6.022 0 1 HKAF FC(F)(F)c1cc(Cc2nc3ccc(Br)nc3[nH]2)cc(C(F)(F)F)c1 587109627 IBZHDTVADRIWLQ-UHFFFAOYSA-N 424.142 5.349 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2c1 587119264 RWJNBCOVWPRFGL-UHFFFAOYSA-N 408.733 5.376 0 1 HKAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc3c(cc2[nH]1)OCO3 587122752 XIUJREOEWQKGDL-UHFFFAOYSA-N 419.384 5.289 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1OCc1ccc(Cl)cc1)O2 587380074 PUXNCBRGZBEGEC-XMMPIXPASA-N 407.897 5.690 0 1 HKAF COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCc1ccc(C)cc1 587398574 FNWFODOTZFFPRK-HSZRJFAPSA-N 403.478 5.180 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1c1ccc(C(F)(F)F)cc1)CC2=O 587464619 UPYBIOPPWSYHRK-XXBNENTESA-N 418.455 6.425 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccncc3)c(OC)c1)CC2=O 587488806 KDKCFQQAMDJCGJ-QHCPKHFHSA-N 419.477 5.034 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Sc3ccccc3Cl)cc1)CC2=O 587491567 LIKRFLCBVPLNII-JOCHJYFZSA-N 424.949 6.856 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCc1ccccc1)(C1(C)CCCCC1)CC2=O 587491759 YXCJMTPNRSXYFE-MHZLTWQESA-N 406.566 6.652 0 1 HKAF Cc1ccc(C[C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587500704 NNQCTXHJHLIWFW-HHHXNRCGSA-N 416.948 6.631 0 1 HKAF O=C1C[C@](c2ccc(Cl)cc2)(c2cccc(Cl)c2)Oc2c1ccc1c2CCCC1 587503350 UASGWSRCIYWLLQ-VWLOTQADSA-N 423.339 6.781 0 1 HKAF O=C1C[C@@]2(CCc3cc(F)c(Br)cc32)Oc2c1ccc1c2CCCC1 587510861 XUJAGZADEIZMIZ-OAQYLSRUSA-N 401.275 5.274 0 1 HKAF COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN1CCCC1 587513883 LOGAMJFLSQQQPU-SANMLTNESA-N 405.538 5.050 0 1 HKAF CC(C)(C)OC(=O)N1CCC2(CC1)CC1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587515240 RLEKALQWMWFFAM-UHFFFAOYSA-N 411.542 5.081 0 1 HKAF C[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543223 IKSAGVYBRMTNMB-NQIIRXRSSA-N 411.251 5.032 0 1 HKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C(F)(F)F)c1 587551233 YVGHGLMDIYYZCO-NQIIRXRSSA-N 400.352 5.422 0 1 HKAF Cc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587578959 SRIDPMPKDKXQOY-JYFHCDHNSA-N 411.457 5.503 0 1 HKAF CCCCCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587595571 KVZOWGLAUUXVDP-ZEQKJWHPSA-N 418.489 5.838 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1cccs1)c1cccs1 587612172 KSVFZZNHWUYTRE-NFBKMPQASA-N 420.511 5.615 0 1 HKAF CCOC(=O)c1ncn(-c2c(-c3cccc(Cl)c3)[nH]c3ccc([C@@H](C)CC)cc23)n1 587641605 NLKOCQTZNLOOQD-AWEZNQCLSA-N 422.916 5.759 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CCC(F)(F)F)c2)N1 587708567 BOJYSJSBZHOBRK-BBATYDOGSA-N 416.256 5.707 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(Br)c2)N1 587714905 GLFDYABCJBVKAN-VPTHRUTESA-N 417.091 5.113 0 1 HKAF COc1ccc2c(C)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)oc2c1 587830014 SCMNYFFPENXODA-GIGQVBGESA-N 404.279 5.275 0 1 HKAF Cc1nc(-c2ccccc2)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587850979 HDUXGFSNQCOVOD-NSPYISDASA-N 417.347 5.644 0 1 HKAF COc1ccc2cc([C@@H](C)c3nc4cc(Br)c(F)c(F)c4[nH]3)ccc2c1 587934714 MYBBWONLZQLVNM-SNVBAGLBSA-N 417.253 5.917 0 1 HKAF CCc1nn2cc(-c3nc4ccc(OCCCc5ccccc5)cc4o3)nc2s1 653684766 LRYOKLVPEJXFBC-UHFFFAOYSA-N 404.495 5.173 0 1 HKAF CCCc1cc(O)cc(O)c1Oc1c(Cl)c(O)c(Cl)c2c1C(=O)O[C@@H]2CC 653699419 JQCNBRBWHQWPPW-LLVKDONJSA-N 413.253 5.477 0 1 HKAF biogenic Cc1c(F)ccc2c1[C@@H](c1c(-c3ccccc3)nc3sc4ccccc4n13)NCC2 962095096 UZWRLERGQMZSSN-QHCPKHFHSA-N 413.521 5.899 0 1 HKAF c1coc(CN2CCc3sccc3[C@]2(c2ccsc2)C2C[C@@H]3CC[C@H](C2)N3)c1 962716656 ZUPAMHXBVAOHLG-PRCIMEDXSA-N 410.608 5.235 0 1 HKAF Clc1ccc([C@@H]2CCC[C@]3(C2)c2ccsc2CCN3Cc2cccnc2)cc1 962994214 CIMAVZCMHJRAQZ-YKSBVNFPSA-N 408.998 6.408 0 1 HKAF Clc1cc(Cl)c2c(c1)[C@]1(C=CO2)c2ccsc2CCN1Cc1cccnc1 962997721 SRQKDNCBAWROGR-NRFANRHFSA-N 415.345 5.658 0 1 HKAF COc1ccc(-c2ccc([C@@]3(C)NCCc4cnc5c(OC)cccc5c43)s2)cc1 963056120 LBMGHXWOEHFRNA-RUZDIDTESA-N 416.546 5.390 0 1 HKAF Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2c3c(F)cccc3C[C@H]3CCCN23)cc1 963104532 HYOCQYOHTKSUEQ-LXFBAYGMSA-N 423.535 6.097 0 1 HKAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1ccc2c(c1)Sc1ccccc1N2C 963576824 AGLJAVXXLABNIE-BZQUYTCOSA-N 418.562 5.560 0 1 HKAF FC(F)(F)[C@@H]1C=C[C@]2(CC1)NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963831470 GRFDRNYDOZDMHB-UZUQRXQVSA-N 412.455 5.616 0 1 HKAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(C)c1sccc1C 963904046 NREGFAYAYSEWDZ-HXOBKFHXSA-N 415.555 5.265 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CC(=O)NCC[C@@]43C)[C@H]1CC=C2c1cncc(C(F)F)c1 1772616339 QCQHONZVRCJAEE-OHEPIQNQSA-N 414.540 5.781 0 1 HKAF C[C@H]1CC2(CC[C@@H]1CC(=O)O)CCN(c1cc(OC(F)(F)F)ccc1Cl)CC2 1772657395 NLNNWVPBXBVTLL-UONOGXRCSA-N 419.871 5.736 0 1 HKAF COc1ccc(-c2cccc(F)c2Cl)cc1[C@@H](CC(=O)O)c1ncc(C)s1 1772657462 VDABJYQMDVEQBZ-OAHLLOKOSA-N 405.878 5.526 0 1 HKAF CO[C@@H]1C=C(O)[C@@H]2[C@@]34CC[C@@H]5[C@H](CCC(C)C)CCC[C@@H]5[C@]3(C)[C@@](C)(CC4)[C@]21O 2356354521 LLAHCSQLIBTNQL-FMWPBDQMSA-N 402.619 5.873 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C=C2C(=O)O[C@H](c3ccoc3)C[C@@H]2[C@@]2(C)CCCC(C)(C)[C@@H]12 2356467927 KNVFODWKKUZNMG-GQEXVFEUSA-N 412.526 5.534 0 1 HKAF Cc1csc(-c2nc3ccccc3n2[C@@H](C(=O)Nc2c(C)cccc2C)C2CC2)c1 95569900 CMXOCKOMWXMKTE-HSZRJFAPSA-N 415.562 6.280 0 3 HKAF Cc1ccccc1-c1c(NC(=O)Nc2ccc(F)cc2F)cnc2ccc(Cl)cc12 3803526 XYHXUJHCXJCBGW-UHFFFAOYSA-N 423.850 6.786 0 1 HKAF COc1ccc2[nH]cc(CCNc3ncncc3-c3ccccc3C(F)(F)F)c2c1 4239317 QGNATZKTENVQDQ-UHFFFAOYSA-N 412.415 5.307 0 1 HKAF Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Cl)cc1 26289366 HAIYBTADHPWSDZ-UHFFFAOYSA-N 414.958 5.227 0 1 HKAF C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@]21OC[C@@H](c2ccccc2)O1 28524358 XNIUAXSBXHRMHT-CCDWMCETSA-N 402.469 5.235 0 1 HKAF O=C1OC[C@H]2[C@@H]1Cc1ccc(F)cc1[C@@H]2/C=C/c1ccc(-c2cccc(Cl)c2)cn1 28823195 HGXRYZWVIHTACZ-TVUVQBGUSA-N 419.883 5.683 0 1 HKAF NCCCCCN(C(=O)CCCc1c[nH]c2ccccc12)C1C2CC3CC(C2)CC1C3 28825912 VYKIIUJWGNENOH-UHFFFAOYSA-N 421.629 5.273 0 1 HKAF COc1cccc(C(=O)[C@@H]2c3ccccc3-c3ccccc3N2C(=O)c2ccco2)c1 40976045 NJABPDGCUKDCGF-DEOSSOPVSA-N 409.441 5.540 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(C(=O)O)CC[C@H]4[C@H]3CC[C@]12C)C(C)C 45284551 MPQGKRPBJJRBJF-LZIFRSISSA-N 413.602 5.442 0 1 HKAF CN(C)C1(c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cs2)CCOCC1 59128392 DRQYEPLMFLHJIK-UHFFFAOYSA-N 400.632 5.972 0 1 HKAF Cc1ccc(C2=CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 66251097 ICTKMCKDCDBBTM-UHFFFAOYSA-N 417.543 6.975 0 1 HKAF COc1c2c(c(OC=C(C)C)c3c1C(=O)[C@@H](c1ccc(O)cc1)CO3)OC(C)(C)C=C2 68602059 MJRXKXSOBJUOFP-GOSISDBHSA-N 422.477 5.246 0 1 HKAF biogenic C[C@H](Nc1cc(-c2[nH]c([S@@](C)=O)nc2-c2ccc(F)cc2)ccn1)c1ccccc1 71297022 LDYVDKCSGKMMHS-JGVYIQDASA-N 420.513 5.188 0 1 HKAF COc1ccc(Sc2cc3ccccc3[n+](CCCCCc3ccccc3)c2)cc1 71317963 CJIUXNOEOAEOTE-UHFFFAOYSA-N 414.594 6.700 0 1 HKAF Cc1nc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccccc2)sc1C 82162489 SDMGJSZRGRTNGJ-UHFFFAOYSA-N 404.514 5.678 0 1 HKAF CC[C@@H](C)Nc1ncc(-c2nc(C)c(C)s2)c(-c2ccc(-c3ccccc3)cc2)n1 82176835 DLZWEIQKLIZPBS-MRXNPFEDSA-N 414.578 6.761 0 1 HKAF CC(C)[C@@](O)(c1ccc(-c2ccccc2)cc1)c1cc2cc(-c3ccccc3)ccc2o1 103180686 ZJPUAFXYIWWXTC-SSEXGKCCSA-N 418.536 7.659 0 1 HKAF CCN(CC)C(=O)O[C@@H](c1cnccc1C(F)(F)F)c1cccc2ccccc12 103200222 VUUYVYUBSKUCHB-HXUWFJFHSA-N 402.416 5.821 0 1 HKAF CC1(C)c2cc(OCCN3CCCCCC3)ccc2C(=O)c2c1oc1ccccc21 114803908 AIJHCGSTCPKRRX-UHFFFAOYSA-N 403.522 5.558 0 1 HKAF CS(=O)(=O)Nc1ccccc1-c1ccc2[nH]c(/C=C/c3ccc(Cl)cc3)nc2c1 117152592 WFXDLMXRMQDIGV-MDWZMJQESA-N 423.925 5.425 0 1 HKAF COc1nc(-c2ccccc2F)cc2nc(-c3c(Cl)c(C(C)(C)C)nn3C)[nH]c12 141918324 ISZURKBWQOJBKW-UHFFFAOYSA-N 413.884 5.124 0 1 HKAF Cc1noc(-c2ccccc2)c1CSc1ccc(C(=O)Nc2ccc(F)cc2)cn1 145259541 KTVNGHIDMMKXGP-UHFFFAOYSA-N 419.481 5.729 0 1 HKAF O[C@]1(c2ccccc2Cl)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1 169319875 QTPCKLNIISNGCV-AVPJRLCVSA-N 415.964 5.609 0 1 HKAF C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(C(=O)c3ccccc3)C[C@H]21 169358285 MSNQMTTUFQUCKG-OGWOLHLISA-N 412.455 5.625 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CC/C(C)=C/C[n+]1cn(C)c2c(N)ncnc21 205707844 NALGSOQQUZLOIK-HCYIYEENSA-N 422.641 5.363 0 1 HKAF O=C(/C=C\c1ccc(O)cc1)O[C@@H](CCCCCCO)CCCCCCCCCO 238738971 YCRUHXDBZDORLV-PVFXMYQXSA-N 420.590 5.373 0 1 HKAF CC(C)=CCC/C(C)=C\C=C\C(C)=C\C=C/C=C(\C)CC/C=C(\C)CCC=C(C)C 238770220 XJMTWNXFNQAKGS-AQGNTZMDSA-N 406.698 10.157 0 1 HKAF C[C@H](/C=C/c1cc[n+](C)cc1)[C@H]1CC[C@@H]2C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 253678853 SBHBRINKBITFAZ-NLSMTCFMSA-N 420.661 6.100 0 1 HKAF COC(=O)c1cc(Cl)c2nc(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)[nH]c2c1 586878382 GBCVSGHDIJECIL-UHFFFAOYSA-N 420.852 5.344 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4c(C(F)(F)F)cc(Br)cc4[nH]3)cc2)o1 586904108 ZOJXWJZJEJJVPN-UHFFFAOYSA-N 421.216 6.580 0 1 HKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 586983141 WFSUHZYKFDZTPC-BEFAXECRSA-N 415.335 5.422 0 1 HKAF Cc1c(-c2ccc(OCC(F)F)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586995054 HPEBDMBGLWWOPY-UHFFFAOYSA-N 415.439 6.374 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4ncc(Cl)c(Cl)c4[nH]3)cc2)n1 587020880 ZNSGZIJNYZPIRP-UHFFFAOYSA-N 407.351 5.989 0 1 HKAF COc1cc(/C=C\c2nc3ccc(C(F)(F)F)cc3[nH]2)cc(Cl)c1OCC(C)C 587046942 PRKREMJDLOJRIS-DAXSKMNVSA-N 424.850 6.449 0 1 HKAF Clc1cccc(/C=C\c2nc3c(Br)cnc(Cl)c3[nH]2)c1Cl 587055750 XIRCKOOEQRWOER-PLNGDYQASA-N 403.494 5.851 0 1 HKAF Cc1cnc(Cl)c2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c12 587056276 LGCJOOVBVRHILD-UHFFFAOYSA-N 408.672 6.066 0 1 HKAF FC(F)(F)Sc1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 587084876 JBMUACGBBSTDTM-UHFFFAOYSA-N 413.856 5.002 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cccc(-c4ccccc4Cl)c3)nc3cccc1c23 587104314 RDTVXUGLDZAESV-UHFFFAOYSA-N 417.895 7.434 0 1 HKAF Oc1c(Br)ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 587164777 XBXCYYYWGSQSIA-RAXLEYEMSA-N 415.287 5.821 0 1 HKAF O=C1c2ccc(O)cc2OC(C2CCCCC2)(C2CCCCC2)[C@@H]1c1ccc(F)cc1 587348614 AGLWDMYKSLCHPB-RUZDIDTESA-N 422.540 6.790 0 1 HKAF CCO[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C12CCCCC2 587350060 DFCQMDHYRYSXJO-RQTOMXEWSA-N 410.485 5.388 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C2CCOCC2)[C@H]1c1ccc(F)cc1 587361420 YNKXIULHHNQYKK-AZGAKELHSA-N 418.464 5.212 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(OC)cc2OCC3)c1 587366442 PLLWKNNLDZSPLG-UHFFFAOYSA-N 423.468 6.267 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(c3ccccc3)Oc3ccc4ccccc4c31)O2 587406678 DBNQDLSFFKFKIM-MUUNZHRXSA-N 419.480 6.025 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4cccc(OCc5ccccc5)c14)[C@@H](C2)C3=O 587436885 CAVZQFGKVXAXND-HFJWLAOPSA-N 411.457 5.244 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCCC[C@@H]1CNC(=O)OC(C)(C)C)CC2=O 587471652 UXZKDRLHAQMSMS-GYCJOSAFSA-N 417.546 5.154 0 1 HKAF O=C1C[C@@](c2ccc(F)cc2)([C@H]2CC[C@H](C(=O)O)CC2)Oc2c1ccc1c2CCCC1 587500832 DHDDEAHHEIEMOS-XWXLMPLOSA-N 422.496 5.456 0 1 HKAF CCCCN(CCCC)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 587509064 XGQASZUHIYPKDI-SANMLTNESA-N 421.581 6.384 0 1 HKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(c1ccccc1)=COc1cc(O)ccc12 587529923 COOXMHURYRINCM-MHZLTWQESA-N 410.469 5.565 0 1 HKAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(F)(F)F 587547871 MESYXMRNTUAPTK-GHTZIAJQSA-N 416.351 5.123 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccccc1Cl 587550222 VSPYDICPVITWEY-XUZZJYLKSA-N 417.848 5.539 0 1 HKAF CCCN(CCC)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587573954 VJWWLCQCNCJBEP-OZXSUGGESA-N 417.505 5.722 0 1 HKAF CC(C)(C)Sc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587608211 QBAQSAHGBWRCBW-REWPJTCUSA-N 406.503 5.986 0 1 HKAF CC[C@@H]1CCCCN1C(=O)c1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628577 VPICYSSMMNMLQW-GFCCVEGCSA-N 406.370 5.919 0 1 HKAF CC[C@]1(c2c(Cl)cccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 587693341 NGBLMKGFPAJGSX-MGNBDDOMSA-N 417.149 6.083 0 1 HKAF CC[C@@]1(c2ccc(OC(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587722693 ZIZBXXJZXPDHMF-WYRIXSBYSA-N 414.265 5.377 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccc(F)cc3)n2)N1 587735923 RUWQKVMUJDIOJM-GTJPDFRWSA-N 415.281 5.413 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(NCc3ccccc3)CC2)N1 587743071 NORZSTCQGGKROF-DBXLBAIQSA-N 417.366 5.050 0 1 HKAF Cc1cc(C)cc(N2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)c1 587770277 SFDJZQDONJVCRJ-INIZCTEOSA-N 417.366 5.235 0 1 HKAF CC(C)[C@@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 587805299 SZTWKPXZVYDRJR-YEJXKQKISA-N 401.323 5.503 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H]2C[C@@H]3C=C[C@H]2C3)N1 587817281 BFRPDXSBRHCZQC-QGLLMXCWSA-N 412.346 5.578 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3nccc(Cl)c3s2)N1 587855835 HAIIKEDSPRFCSV-PWJLMRLQSA-N 411.727 5.475 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(-c2cccs2)cs1 587864220 MKHCFROEOGJDMS-UHFFFAOYSA-N 407.442 5.752 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cccc(F)c2[nH]1 587960148 OEYOTMYZYLAKQO-UUQHCRCUSA-N 420.616 8.556 0 1 HKAF Fc1c(Cl)cc(Br)cc1[C@@H]1NCCc2cccc(-c3ccccc3)c21 962663836 HCLOZKWSWDTWQK-NRFANRHFSA-N 416.721 6.144 0 1 HKAF c1ccc([C@@]2(c3ccc4ccccc4n3)c3ccsc3CCN2Cc2ccco2)cc1 962712641 VLNIEHZSIFYZBO-MHZLTWQESA-N 422.553 6.240 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2ccccc2)(c2ccc(OC)cc2Cl)N1 962938857 ABKXRNSJVVFZFB-QYBDOPJKSA-N 416.952 6.046 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(-c3cccc(F)c3)nc3sccn23)N1 962951789 UWSCNKHKSQRIAP-OPAMFIHVSA-N 416.525 5.697 0 1 HKAF CC(C)(C)OC(=O)NCC1CCC([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)CC1 963104944 IRSURYRKAOELSE-GRDDELGYSA-N 402.554 5.218 0 1 HKAF C[C@]1([C@@H]2CCCN(C(=O)OCc3ccccc3)C2)c2ccc(F)cc2C[C@@H]2CCCN21 963111817 ROUPVESSSQOXAD-JJTGBXKASA-N 422.544 5.110 0 1 HKAF CCC[C@H](C)COc1ccc([C@@H](NC(=O)[C@H](C)C2CCCCC2)C(=O)OC)cc1 1772576030 PCKSWTKHTHJUTP-NJNPRVFISA-N 403.563 5.048 0 1 HKAF COc1ccc(-c2cccc(C(F)(F)F)c2)cc1[C@H](CC(=O)O)c1ncc(C)s1 1772576434 WMPZVGPFSLMUJM-KRWDZBQOSA-N 421.440 5.753 0 1 HKAF COC1(O[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@H]6S[C@H]6C[C@]5(C)[C@H]4CC[C@]23C)CCCC1 2356331425 IVDYZAAPOLNZKG-KSVYWVJLSA-N 404.660 6.425 0 1 HKAF CC(=CCO)CCC=C(C)CCC=C(C)CCC=C(C)COC(=O)C=CC(=O)O 2356626484 AEHIZBVRKDBILT-UHFFFAOYSA-N 404.547 5.289 0 1 HKAF CC(C)CC=C[C@@H]1C(=O)OC[C@]23CC[C@H]4[C@@H](C=CC5=C[C@@H](O)CC[C@@]54C)[C@@H]2CC[C@H]13 2356743010 ULPXEYSCKDGTPP-BWQWVWOUSA-N 410.598 5.458 0 1 HKAF Cc1cc2c(c(O)c1Br)-c1ncoc1C(=O)[C@]1(C)CC[C@@H](C(C)C)[C@@H]21 2356802298 SBSHUVJNZWRMRR-UHBVIIIMSA-N 404.304 5.470 0 1 HKAF CCc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccccc2)cc1 2480070 IPBHHMZCQVARIA-UHFFFAOYSA-N 414.480 5.683 0 1 HKAF COc1cc(OC)c2c(c1-c1c(C)cc(OC)c3c(OC)cccc13)C[C@H](C)N[C@H]2C 13359207 RVMRJGIRKITWGW-HOTGVXAUSA-N 421.537 5.445 0 1 HKAF biogenic NS(=O)(=O)c1ccc(-c2[nH]c3ccc(Cl)cc3c2-c2ccc(Cl)cc2)cc1 13477364 FELJSCWNPQUGGM-UHFFFAOYSA-N 417.317 5.456 0 1 HKAF Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1c(Cl)cccc1Cl 13587408 MQPQHDGTTOFMHE-UHFFFAOYSA-N 402.303 5.358 0 1 HKAF CCOP(=O)(OCC)C(C[C@H]1CCC[C@H](C)C1=O)P(=O)(OCC)OCC 13896624 BNQJDMMEAMHZEJ-LSDHHAIUSA-N 412.400 5.240 0 1 HKAF CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)c4c3OC(C)(C)C=C4)coc12 15261710 DSOHPFKCOCWTHP-UHFFFAOYSA-N 420.461 5.270 0 1 HKAF biogenic CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(C)cc2O)C(C)(C)CCC1 28895785 QPFPMNYOVNVCNG-AJSAJTCQSA-N 405.582 7.171 0 1 HKAF CCN(c1cccc2ccccc12)[C@@H]1CCCc2nc(-c3ccccc3)cc(OC)c21 29053397 PRKJAWWJGFDLOL-AREMUKBSSA-N 408.545 6.814 0 1 HKAF O=C(NCCCCN1CCC[C@@H](/C=C\c2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 29330052 ADZVHSJSSGEZSH-NGWUEFOUSA-N 420.641 5.525 0 1 HKAF C[C@@H](c1ccccc1)[C@H](O)/C=C/[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCC(C)(C)C(=O)O 29463817 IXLKYYJMNDNNKA-IKIFICFQSA-N 412.570 5.338 0 1 HKAF CC(C)=CCc1cc([C@H]2CC(=O)c3ccc(O)cc3O2)c(O)c(CC=C(C)C)c1O 31170061 YBZDQCJHEVQZHH-HSZRJFAPSA-N 408.494 5.527 0 1 HKAF biogenic COc1cccc([C@H]2N=NC(C3=C(O)c4ccccc4C3=O)=C[C@@H]2c2ccccc2)c1 34133097 XRUPTUVYTZURRN-ZJSXRUAMSA-N 408.457 6.035 0 1 HKAF biogenic CCC[C@H](Nc1cncc(-c2ccc(NC(=O)NCC)c(C)c2)n1)c1cnccc1C 38309100 ZBQXUMNPYYNKTB-NRFANRHFSA-N 418.545 5.250 0 1 HKAF COc1ccnc2c1c(Sc1ccc(Cl)cc1)c1n2CCC[C@@H]1CC(=O)O 40943375 QXIWICPKPDEQLB-GFCCVEGCSA-N 402.903 5.202 0 1 HKAF Cc1ccc(-n2c(-c3ncccc3Cl)nc(CNC3CCCC3)c2C(C)C)cn1 43076095 BOWSGWFJDZSKQS-UHFFFAOYSA-N 409.965 5.447 0 1 HKAF COc1ccccc1-c1cc([C@@H]2CCC[C@H]2C(=O)NC2(c3ccccc3)CCC2)no1 45259003 YWUPKJPELYEIFA-WOJBJXKFSA-N 416.521 5.430 0 1 HKAF CCOP(=O)(OCC)[C@H](NC(=S)N[C@H](C)C1CCCCC1)c1ccccc1 59130117 BLADAJQBXMYKDO-APWZRJJASA-N 412.536 5.384 0 1 HKAF CC(=O)Oc1ccc(-c2ccc(/C=C/C(=O)O)cc2)cc1C12CC3CC(CC(C3)C1)C2 73298629 NQMIWNWUDIYJKF-RUDMXATFSA-N 416.517 5.845 0 1 HKAF Cc1ccccc1-c1nc(NCCc2ccc(Cl)cc2)ncc1-c1nc(C)c(C)o1 82177718 WDZINLADKSJICQ-UHFFFAOYSA-N 418.928 6.032 0 1 HKAF COc1ccc(-c2c(C)noc2[C@H]2[C@@H](c3ccc(Cl)cc3)C[C@@H]3CC[C@@H]2N3C)cc1 101165974 MRFZMPJKMYTXDM-OHCHIEETSA-N 422.956 6.046 0 1 HKAF CC(C)c1ccc(Cn2cc(CC(=O)O)c3ccc(-c4cc(N)cc(N)c4)cc32)cc1 142194640 VQXYFFBYBKESTK-UHFFFAOYSA-N 413.521 5.272 0 1 HKAF in-vitro CCOP(=O)(CCSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)OCC 149207578 NVKUTSSMIUMQMU-RSKMIKRQSA-N 402.581 7.405 0 1 HKAF COc1cccc(Nc2cncc3ncc(-c4ccc(N5CCCCC5)cc4)nc23)c1 200660897 LMDPZAOXFSVSKO-UHFFFAOYSA-N 411.509 5.434 0 1 HKAF CC[C@@H](c1ccc(Cl)cc1)n1nc(-c2ccc(F)cc2)c2c1CCN(C(C)=O)C2 204895469 MSZDGTUPPMSZMU-NRFANRHFSA-N 411.908 5.247 0 1 HKAF CCN(CC)CCOc1ccc([C@@H](c2cccs2)c2ccccc2SC)cc1 206288716 HDCDKXZVUHERQM-XMMPIXPASA-N 411.636 6.371 0 1 HKAF C/C=C(\C)[C@H](CC=C(C)C)c1c(OC)cc(O)c2c1O[C@H](c1ccccc1)CC2=O 238732949 HQQKQQPDXDECON-JWXRFZAJSA-N 406.522 6.513 0 1 HKAF C[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc(-c2ccoc2)cc1F 253961191 MSAYVNPLYDDUJO-CUQKQMDZSA-N 401.481 5.998 0 1 HKAF C[C@@H]1[C@H](c2ccccc2)O[C@H](c2ccccc2)C[C@]12NC(=S)NN2c1ccccc1 299846087 HXGODZIWQXKTCE-ZQJMJJNQSA-N 415.562 5.121 0 1 HKAF COc1cc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cc1F 586982235 ITWWQLLXKMZKFA-AWEZNQCLSA-N 405.311 5.846 0 1 HKAF O=C1c2ccccc2-c2cc(-c3c(O)cccc3Br)nc3ccc(O)c1c23 586984372 JWRDTACBQJHLEF-UHFFFAOYSA-N 418.246 5.287 0 1 HKAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587012470 ROBXNBGRLSJMKG-UHFFFAOYSA-N 423.847 6.138 0 1 HKAF Nc1c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)sc2cc(Br)ccc12 587030278 CHOYNCACELRURP-UHFFFAOYSA-N 416.197 5.346 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cccc(C(=O)O)c2[nH]1 587069129 CKVMQPCMZBILDB-ZPGCQJFOSA-N 401.293 5.934 0 1 HKAF O=C(O)c1cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1F 587072304 XWBKJPAYHOPBTN-RMKNXTFCSA-N 422.843 5.803 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1ccccc1[C@H]4c1ccccc1)-c1ccccc1C2=O 587100006 CSNIQKCLRKKBAT-XMMPIXPASA-N 409.488 6.915 0 1 HKAF CC(C)(C)c1ccc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc2c1 587114586 VIPNZNMJDMIUPX-UHFFFAOYSA-N 410.439 7.339 0 1 HKAF CSc1ccc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2c1 587154142 KIPSSISSGYCLSO-UHFFFAOYSA-N 407.470 5.108 0 1 HKAF CCCCOc1cc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1Br 587163627 NJIQFOPWYNEHNW-IBGZPJMESA-N 420.326 5.294 0 1 HKAF CSc1ccc(C(=O)Cc2c(C)nc3cccc4c3c2-c2ccccc2C4=O)cc1 587209623 QTSIEYXZTLTAFU-UHFFFAOYSA-N 409.510 5.902 0 1 HKAF COc1ccc([C@@]2(c3ccccc3Cl)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 587378199 MWOWCDGIIRLUQR-DEOSSOPVSA-N 423.896 5.157 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H]3C4=CCc5cc(O)ccc5[C@H]4CC[C@@]31C)O2 587403717 KWLIVXGAGZNRQM-KACNGSERSA-N 415.533 5.463 0 1 HKAF CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1cc(Cl)cc(Cl)c1)CC2=O 587461055 JNICMBKLVCVYSO-BVGULUMVSA-N 420.336 5.588 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1Oc1cc(F)cc(F)c1)CC2=O 587466730 MLCHMQULAMHUQX-QHCPKHFHSA-N 410.416 6.122 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3ccc(C(=O)OC)cc3)c1)CC2=O 587484351 ZVSXFVGWJHTXSR-XMMPIXPASA-N 416.473 5.505 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccc(C(C)=O)cc3)cc1)CC2=O 587489579 PGDRGMQOSIPTKT-MHZLTWQESA-N 414.501 6.095 0 1 HKAF O=C1C[C@@H](c2ccccc2OCc2ccccc2Cl)Oc2c1ccc1c2CCCC1 587510217 XLLFURGVNACLOI-VWLOTQADSA-N 418.920 6.504 0 1 HKAF C[C@]1(c2cc(Cl)c(Cl)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557125 LROWSURHEIJEFG-GHTZIAJQSA-N 419.235 5.715 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C(c1ccccc1)c1ccccc1 587602016 HVLBVTVQMHARDU-SHQCIBLASA-N 408.453 5.555 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(C(=O)C(=O)OC)c2c1 587641251 LTKQODCRTKGKLU-NSHDSACASA-N 404.293 6.011 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(C(=O)C(F)(F)Br)c2c1 587643165 ZGUKMTYWEOPVMC-GFCCVEGCSA-N 406.270 6.519 0 1 HKAF Cc1ccc2nc(C)cc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c2c1 587656307 JJHNLWQPVYXBAZ-UHFFFAOYSA-N 413.427 5.496 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)c(F)c2)(C(F)(F)F)N1 587710930 VLEALMYLLCNIKY-VPTHRUTESA-N 424.182 5.207 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2F)N1 587713418 CFZIKAHJYBQVCX-ZKANADHPSA-N 417.091 5.113 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC(F)(F)F)c2)N1 587714863 BKDMYLMPKZRIQI-FVMDXXJSSA-N 404.201 5.110 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2F)(C2CCCC2)N1 587728824 TYACAJBELFAUSR-LRTDBIEQSA-N 406.314 5.695 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2csc(Br)c2)N1 587850255 YDMSLLPIEMWYJW-VXJOIVPMSA-N 419.157 5.210 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCCS2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587858249 ZYCSEEPVGFLMRC-YUNKPMOVSA-N 422.363 5.261 0 1 HKAF Cc1c(F)ccc2c1[C@H](c1cnc(-c3ccc(Br)cc3)s1)NCC2 962372937 ICNSHSSAMZDXJT-SFHVURJKSA-N 403.320 5.255 0 1 HKAF COc1ccc2c(c1OC)[C@](CCc1cccc(C)c1C)(C1CCCC1)N(C)[C@@H](C)C2 962619525 DDDCIMGKHUPAJW-MMTVBGGISA-N 421.625 6.215 0 1 HKAF COc1ccc2c(c1OC)[C@H](c1c(OC(C)C)ccc3ccccc13)N(C)[C@@H](C)C2 962626767 GDDKJUSAAIOHCZ-SSOJOUAXSA-N 405.538 5.610 0 1 HKAF C[C@]1(c2c(F)ccc(C(F)(F)F)c2F)NCCc2cccc(-c3ccccc3)c21 962662853 MJFNSFSGFPHIIS-QFIPXVFZSA-N 403.394 6.060 0 1 HKAF C[C@@H](CC(=O)O)[C@@]1(c2ccc(Cl)cc2)NCCc2cccc(-c3ccccc3)c21 962672228 WEKUBWWKOXHVBU-GKVSMKOHSA-N 405.925 5.507 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@]2(CCc1cccc(C)c1C)C1CCCCC1 963256497 CRRHNKSBSHGEJB-AREMUKBSSA-N 412.017 6.520 0 1 HKAF CC(=O)Oc1c(C)c(-c2ccc(N3CCC(F)(F)C3)cc2)nc2cc(F)cc(F)c12 1772616026 MXTWFDYUWPRVQW-UHFFFAOYSA-N 418.390 5.259 0 1 HKAF CCCCCCN(C(C)=O)c1ccc(NC(C)=O)cc1SCC1CCCCC1 1772653963 LWPBWOSPIKCLME-UHFFFAOYSA-N 404.620 6.251 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C/C/C=C\CCC(=O)N[C@H](CO)C(=O)O 1857580930 XUVNWEALAJSOLD-HMCZZURHSA-N 415.574 5.026 0 1 HKAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc4ccncc4c3)CC[C@@H]12 1857633459 LJHCEFFNSAJPSL-JWFGUYJLSA-N 403.610 6.722 0 1 HKAF CCOC(=O)c1cc(-c2cn(CCCCc3ccccc3)cc2-c2ccccc2)[nH]n1 1911582904 IWJRFDORFMVHDL-UHFFFAOYSA-N 413.521 5.745 0 1 HKAF C(=C1c2ccccc2[C@H]2[C@@H]1O[C@@H]1C(=Cc3ccccc3)c3ccccc3[C@H]12)c1ccccc1 2356384946 QTCLDESTKURNLW-VWPRMMSESA-N 424.543 7.430 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C 2356504549 VYTVWDKLFRPKCF-IRAZZGIESA-N 400.647 6.281 0 1 HKAF C[C@@H](CCC[C@@H](C)CO)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356651153 DBSJYKLREKUIIH-CBGQKLSTSA-N 420.678 5.412 0 1 HKAF COc1ccc(Nc2cc3c(cn2)cc(-c2cccnc2)n3Cc2ccccc2)cc1 82082783 PDLIJXYCEBVAEC-UHFFFAOYSA-N 406.489 5.899 0 3 HKAF CCCN(Cc1ccccn1)c1cc(-c2ccccc2)cc(-c2ccc(O)cc2C)n1 3815464 CPGGNECUJDBLOK-UHFFFAOYSA-N 409.533 6.241 0 1 HKAF Clc1ccc([C@@H](c2c[nH]cc2-c2ccccc2Cl)n2ccnc2)cc1Cl 5974403 XVUBDJKFEBNYCA-FQEVSTJZSA-N 402.712 6.476 0 1 HKAF Cc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccccn3)n2)cc1 28707527 JKGIVAZVPYQJOQ-HXUWFJFHSA-N 402.548 5.931 0 1 HKAF CS(=O)(=O)Nc1ccc(-c2cnc3cccc(Nc4ccc(Cl)cn4)c3c2)cc1 28957611 RBEBLPVBJDMKCE-UHFFFAOYSA-N 424.913 5.065 0 1 HKAF O=C(CCC1CCN(Cc2ccccc2F)CC1)c1cc2c3c(ccn3C(=O)CC2)c1 66100479 NFTXISIRYWWQCH-UHFFFAOYSA-N 418.512 5.242 0 1 HKAF CN[C@@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1 66111741 FITJACCQHZFEJH-SFHVURJKSA-N 404.510 5.035 0 1 HKAF CCN(CC)C(=O)[C@@H]1Sc2cc(F)ccc2-c2c1c1ccccc1n2CCF 68208452 QPYIMMXNDOXRLS-OAQYLSRUSA-N 400.494 5.432 0 1 HKAF CCCCCn1c(-c2cccc(O)c2)nc2c(NCCc3ccccc3F)ncnc21 82180634 VHHYZARNSFYMKR-UHFFFAOYSA-N 419.504 5.183 0 1 HKAF O=C(Nc1ccccc1)N1CCc2sccc2[C@H]1c1ccccc1C(F)(F)F 84653306 MGZUFJIPFKKQOR-LJQANCHMSA-N 402.441 5.947 0 1 HKAF Cc1[nH]c2ccccc2c(=O)c1-c1ccc(Cc2ccc(OC(F)(F)F)cc2)cc1 84655083 CRSBNIFBEDFOTF-UHFFFAOYSA-N 409.407 5.993 0 1 HKAF Cc1ncccc1-c1cccc(-c2nc(NCc3ccncc3)c3ccncc3n2)c1 95575245 OFVWQEBJFHDRBR-UHFFFAOYSA-N 404.477 5.069 0 1 HKAF O=c1[nH]c2cc(-c3ccccc3Cl)ccc2c2[nH]c(-c3c(F)cccc3Cl)nc12 96270707 AVUOMYZMGMHQBM-UHFFFAOYSA-N 424.262 6.184 0 1 HKAF COC(=O)CSc1c(-c2ccc(Cl)cc2)nc2ccccc2c1-c1ccccc1 96932492 PIOZZHGVSAYDRZ-UHFFFAOYSA-N 419.933 6.487 0 1 HKAF Cc1nc(N[C@H](C)c2cccc(-c3cccnc3)c2)cc(-c2ccc3ncsc3c2)n1 142354416 CQLPQCLBTVJBBQ-MRXNPFEDSA-N 423.545 6.297 0 1 HKAF COC(=O)CCC(=O)OC[C@@H]1CC[C@@]2(C)C(C)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1 238742163 OYHUVLDVWBMUEA-NBMBROAQSA-N 416.558 5.488 0 1 HKAF CC(C)C[C@H](O)[C@@H](O)[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 257415140 FHSVMYDBGPVTTJ-XDSNWXJRSA-N 420.678 5.410 0 1 HKAF endogenous,in-man Cc1cc(C(=O)CSc2ccc(C(=O)Nc3ccc(F)cc3)cn2)ccc1Cl 261096554 FMWKSCJATDBYKI-UHFFFAOYSA-N 414.889 5.410 0 1 HKAF CC[C@@H]1OCCC[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 586914241 URQHXPFGWVHMQT-BEFAXECRSA-N 415.331 5.577 0 1 HKAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c(C)ccc(C)c4[nH]3)cc2)c1C 586946750 FTUSSTRYHMUNPG-UHFFFAOYSA-N 405.523 5.264 0 1 HKAF CCc1c(-c2ccc3c(c2)OCCO3)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991832 QEEGXURMRFVFLD-UHFFFAOYSA-N 409.441 5.152 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5cc(C)c(C)cc5[nH]4)c23)cc1 587038574 PNCQYETWYGLHEP-UHFFFAOYSA-N 416.575 6.452 0 1 HKAF CC(C)Oc1cc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2cc1Br 587058035 BIYRDFYPOMIPCD-AWEZNQCLSA-N 408.727 5.009 0 1 HKAF CC(C)(C)c1ccc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 587070860 IGAVUJFFRXCZGO-VEDPZOSTSA-N 413.392 7.533 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c(C(F)(Br)Br)nc2c1 587088429 NUCBUQWNNHZQDQ-UHFFFAOYSA-N 410.390 5.105 0 1 HKAF Cc1c(Br)cnc2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc12 587113645 WHCZGZXEPUFUHK-UHFFFAOYSA-N 407.193 5.263 0 1 HKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1F 587151822 IYWPXEZEYPREDY-UWVGGRQHSA-N 417.175 5.894 0 1 HKAF CCCCOc1cc2nc([C@@H](C)Oc3ccc(F)cc3)[nH]c2cc1Br 587168392 HXKHHQKEMLZALO-GFCCVEGCSA-N 407.283 5.783 0 1 HKAF CCCOc1cc2nc([C@@H](C)c3ccc(N(C)C)cc3)[nH]c2cc1Br 587198098 YJLFACXGJWUDRD-ZDUSSCGKSA-N 402.336 5.332 0 1 HKAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(Cl)c(F)c(F)c4[nH]3)c2)c1 587232154 LSMHKYNMMUDQJQ-UHFFFAOYSA-N 411.839 5.112 0 1 HKAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 587233191 KAPDVDADWBBSPE-JQWIXIFHSA-N 414.731 5.140 0 1 HKAF O=C(Cc1ccc(-c2ccccc2)cc1)c1c(CO)oc2cc(Br)cnc12 587272691 ALUSTLHWPMHOMD-UHFFFAOYSA-N 422.278 5.175 0 1 HKAF CC(C)(C)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332495 QVLYCMZWQQMJQJ-DHLKQENFSA-N 424.899 6.485 0 1 HKAF CCc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2ccccc12 587356516 PSLGKNJEGKYLTO-ZEQKJWHPSA-N 416.448 6.114 0 1 HKAF CCOC(=O)[C@@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C[C@H]1C 587363736 UAQNYZNQPCHWCY-DNVCBOLYSA-N 415.489 5.571 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(C)(C)C)nn(-c3ccccc3)c1Cl)O2 587378812 DRZIADZBCLXZDO-SFHVURJKSA-N 409.917 5.420 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3ccc(Cl)nc3)c3ccccc13)O2 587379907 MKQPDXJMQAWOKQ-QFIPXVFZSA-N 417.896 5.335 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1csc(-c4ccc(C(F)(F)F)cc4)n1)[C@@H](C2)C3=O 587424157 XUBDNYAQVOXAKS-IFXJQAMLSA-N 417.408 5.326 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(C=C(c3ccccc3)Oc3cc(O)ccc31)CC2=O 587484500 GPRKGXHJXGLCEF-AREMUKBSSA-N 414.457 5.345 0 1 HKAF C[C@@H]1C[C@]2(CCN1C(=O)OCc1ccccc1)CC(=O)c1ccc3c(c1O2)CCCC3 587516909 GDTQKWGGQYAIEY-WXTAPIANSA-N 419.521 5.091 0 1 HKAF O=C1C[C@](c2ccccc2)(c2ccc3ccccc3n2)Oc2c1ccc1c2CCCC1 587523892 IFRPPCCPYFBIBX-NDEPHWFRSA-N 405.497 6.023 0 1 HKAF COC(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587533618 RSQHAIABAYAXEQ-HSZRJFAPSA-N 402.446 5.319 0 1 HKAF Cn1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc2cc(Cl)ccc21 587551914 LDEMMENCJIDHMO-REWPJTCUSA-N 405.837 5.240 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccc(Cl)cc2)on1 587552171 OAWVVSMWCYFCGQ-OFNKIYASSA-N 419.820 5.404 0 1 HKAF C[C@@]1(c2ccc(N3CCCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596531 RQEMNZKVCCUUMR-OZXSUGGESA-N 415.489 5.260 0 1 HKAF CC(C)(C)OC(=O)Nc1c(C2CCC2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625634 KXONIRKWRYGLIY-UHFFFAOYSA-N 422.369 6.820 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cnc(Cl)cc3c2)N1 587707282 VFCSPGMTVUMPLP-APBUJDDRSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(OC3CCC3)c2)N1 587722396 YQVJSEXTIXAPJC-PRWKNARSSA-N 408.286 5.282 0 1 HKAF CCOC(OCC)c1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587795154 QSTLIOHKGJNCLK-XCLFUZPHSA-N 422.338 5.283 0 1 HKAF CC(C)=C1NCCc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc21 587799554 XUJGPNYYMMMYJX-WHEQGISXSA-N 415.350 5.108 0 1 HKAF COc1cc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)C 587808479 QGCSGBKDFJUHGU-LRTDBIEQSA-N 406.339 5.652 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3O)cc2)N1 587833548 OJFQJNAULRTYOJ-XMHCIUCPSA-N 412.302 5.584 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCN(Cc3cccs3)CC2)N1 587850772 FRBJQYOBUXWMBD-XCLFUZPHSA-N 423.395 5.137 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C 587870496 ANUHHKVETSZPBC-HNNXBMFYSA-N 416.880 5.466 0 1 HKAF Clc1sc(Cl)c2c1CCC[C@@]21NCCc2cccc(-c3ccccc3)c21 962659293 FOLSAKBFPZBFQW-QFIPXVFZSA-N 400.374 6.448 0 1 HKAF CCC[C@@]1(c2cccc(C(F)(F)F)c2)c2cccc(F)c2CCN1[C@H]1CCSC1 962706900 MPQNANLGLCGLQO-PGRDOPGGSA-N 423.519 6.252 0 1 HKAF Cc1ccc([C@]2(C3CCCC3)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1C 962715893 PRLJNTIEVDYTAC-ATIYNZHBSA-N 409.614 6.240 0 1 HKAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@]2(c1ccccc1Cl)C1CCC1 962721527 VTMTZAXOACXUEP-UZUQRXQVSA-N 401.978 5.886 0 1 HKAF COc1cccc2cc3c(nc12)[C@@](c1ccsc1)(c1ccc(C)c(C)c1)NCC3 963063017 YUGCCPKNDWTZGU-VWLOTQADSA-N 400.547 5.359 0 1 HKAF Cc1ccc(CC[C@@]2(c3ccccc3F)c3c(F)cccc3C[C@H]3CCCN32)cc1C 963098767 HDHSLCJHOYRMGY-QDPGVEIFSA-N 417.543 6.479 0 1 HKAF CCCOc1ccc([C@@]2(c3ccc(C)nc3)c3ccccc3C[C@H](C)N2CCC)cc1 963226218 GXTBCINLYINJHU-RBISFHTESA-N 414.593 6.127 0 1 HKAF COc1ccc2c(c1)[C@]1(c3ccc(Cl)cc3C[C@@H]1C)N(Cc1ccc(F)cc1)CC2 963302553 OFCUEGIRWDXASH-QLXKLKPCSA-N 421.943 5.982 0 1 HKAF CC1(C)CCN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)C1 1772597768 LSLAQWMJZSJQKS-UHFFFAOYSA-N 415.415 5.313 0 1 HKAF CCn1ccc(-c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)n1 1857582540 QCZOFMMIIFZOAP-UHFFFAOYSA-N 422.532 5.224 0 1 HKAF CC1=CC[C@]2(C)CC[C@H](C(C(=O)O)C(=O)O)[C@@H]2CC=C(C)[C@H]2CC[C@H](C)C2=CC1 2356325407 OVLRNGJHUUCIHT-CHSJKXJWSA-N 400.559 5.853 0 1 HKAF Cc1c(Br)cc([C@]2(C)CC[C@H]3C[C@]32C)c(O)c1I 2356579598 FYVRRGGZWREWDC-ULKVUYOBSA-N 421.116 5.145 0 1 HKAF C[C@H]1CC[C@]2(NC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 2356621934 VCYNHQOAZQMPOJ-QCYMNHMOSA-N 413.646 5.575 0 1 HKAF C[C@H]1CN=C([C@@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)CC1=O 2356660763 SSNUZXQLURLLKP-WDZAOJLDSA-N 411.630 5.612 0 1 HKAF CC(=CCCC(=CC[C@H]1OC(=O)C=C1CO)CO)CCC1=C(C)CCCC1(C)C 2356667336 VOZHIXNCTBMKNV-HSZRJFAPSA-N 402.575 5.173 0 1 HKAF CCOc1cc(-c2ccc(O)cc2)cc(=Nc2ccc(OC)cc2)c2c(C)oc(C)c12 2356732297 LNADFBZTKWOQKO-UHFFFAOYSA-N 415.489 6.062 0 1 HKAF COC1=CC(c2ccc[nH]2)=NC1=C1c2[nH]c3cc2[C@H](C(C)C)[C@H]1CCCCCCCC3 2356800827 QHVWBQZLPWFJJV-NTKDMRAZSA-N 417.597 6.743 0 1 HKAF COc1ccccc1CCCCC[C@@H](Oc1ccc(Cc2ccccc2)cc1)C(=O)O 1543480 OPJJDESFQQIJNX-AREMUKBSSA-N 418.533 5.921 0 1 HKAF investigational CCCC(=O)Oc1ccccc1-c1nc2ccccn2c1NC(C)(C)CC(C)(C)C 4755323 LKRPBIZQMYSPGG-UHFFFAOYSA-N 407.558 6.334 0 1 HKAF CC1=C2C[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C 5752148 QASFUMOKHFSJGL-RPLSWXPTSA-N 411.630 5.002 0 1 HKAF Clc1ccc([C@H](c2c[nH]cc2-c2ccccc2Cl)n2ccnc2)cc1Cl 5974398 XVUBDJKFEBNYCA-HXUWFJFHSA-N 402.712 6.476 0 1 HKAF O=C(c1cc(Cl)cc(Cl)c1)N1CCCC(c2ccc(Br)cc2)=N1 13744691 KDYPCNJWRPAIGJ-UHFFFAOYSA-N 412.114 5.396 0 1 HKAF Cc1cc(N2CCOCC2)c2ccn(-c3ccc(C(C)C)cc3Br)c2n1 13794658 QCBKMFQKFWBGMQ-UHFFFAOYSA-N 414.347 5.056 0 1 HKAF Cc1cc(C)cc(-c2c(OC[C@H]3CCCN(C)C3)c3ccc(Cl)cc3[nH]c2=O)c1 26576989 NBJRZSKBRVEFLB-KRWDZBQOSA-N 410.945 5.186 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\CCCC[C@@]1(C)CCc2cc(O)c(C)c(C)c2O1 27626859 DPKRCJJVMWZZGG-REVNFSOISA-N 424.669 8.682 0 1 HKAF CCC[C@H](C)Nc1ncnc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc12 28356364 XBWNAUFEINAEIY-AWEZNQCLSA-N 405.452 5.633 0 1 HKAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](N(C=O)CCC(C)(C)C)CC[C@@H]4[C@@H]3CC[C@@H]12 36189622 HAPCTYIHYYGVQQ-GEYNRRACSA-N 416.650 5.113 0 1 HKAF Nc1cccc(CNCc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)c2)c1 45186810 ZVHIUKXOVZHUGG-UHFFFAOYSA-N 404.517 5.769 0 1 HKAF CN(C)C12CCN(CCc3ccccc3)C([C@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 45317956 ODTDMOVMBQWMEM-WNUBJLNHSA-N 424.632 5.965 0 1 HKAF O=c1oc2ccccc2c2c1[C@@H]1O[C@@](c3ccsc3)(Cc3c1ccc1ccccc31)O2 66139538 WSZOLPLBXAYCET-BVAGGSTKSA-N 424.477 5.915 0 1 HKAF O=C(c1cc2ccccc2o1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1Cl 71330110 GLWABHDWOOOXCB-OAQYLSRUSA-N 418.855 6.217 0 1 HKAF Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2)sc1C 82162653 NMQDQHSYXOWFPB-FCEUTRGCSA-N 418.610 6.367 0 1 HKAF Fc1ccccc1-c1nc(NC[C@H]2CCCO2)ncc1-c1nc2ccccc2s1 82175570 XLXZHEGOVHWYBS-CQSZACIVSA-N 406.486 5.150 0 1 HKAF CN1CCC(Oc2ccc3cc(-c4ccc(-c5ccccc5)cc4)c(=O)oc3c2)CC1 84727231 BHPQKQNBZCWQTA-UHFFFAOYSA-N 411.501 5.600 0 1 HKAF CCOc1ccccc1-c1ccc(-c2nc3ccc(F)cc3c(C(N)=O)c2C)cc1 95592814 DSDLRJOPEDMQJK-UHFFFAOYSA-N 400.453 5.514 0 1 HKAF Nc1nccn2c(C3CCC3)nc(-c3ccc(C(=O)c4ccccc4)c(Cl)c3)c12 96168087 RVBNROZWENVAHD-UHFFFAOYSA-N 402.885 5.130 0 1 HKAF COc1ccc(-c2c(C)noc2[C@H]2[C@@H](c3ccc(C)cc3)C[C@H]3CC[C@H]2N3C)cc1 101166375 VXEYCCZPVLWMLA-QYOMTGNWSA-N 402.538 5.701 0 1 HKAF c1ccc(Oc2cc(Sc3ccncc3)cnc2Nc2nc(C3CC3)cs2)cc1 115877102 IYEJBIRMKQSGLJ-UHFFFAOYSA-N 418.547 6.498 0 1 HKAF O=C(CCCOc1ccccc1)Nc1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166796609 PIJVWRRGSPEVMS-UHFFFAOYSA-N 415.493 5.032 0 1 HKAF CC1=C2C[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@@]12O[C@@H]1C[C@@H](C)CN[C@@H]1[C@@H]2C 169293844 QASFUMOKHFSJGL-AQYSCAOMSA-N 411.630 5.002 0 1 HKAF CC(C)CCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 169711156 DBHSOMRLOFZXDC-DKXQDJALSA-N 424.629 6.114 0 1 HKAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccc(Cl)c(C)c4)ncc23)ccn1 219750871 SXSIGNOWWGDSDH-CQSZACIVSA-N 420.904 5.173 0 1 HKAF COC(=O)CCC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]3CCC(C(C)C)=CC3=CC[C@@H]21 238730820 ZRSJOCYVVPWHMC-ZLSIYFNSSA-N 402.575 5.618 0 1 HKAF O[C@@H]1CN2CCC/C=C/CCCCCC3=C[C@@H]4CN5CCCC/C=C/CC[C@@](C2)([C@H]14)[C@@H]35 238788431 SVFQETJDDGVUQV-WPQHBVRJSA-N 424.673 5.327 0 1 HKAF COc1ccc(CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 299870733 WWMOURIEUSVACP-UHFFFAOYSA-N 405.064 5.105 0 1 HKAF O=C(Nc1ccccc1F)Nc1cc2ncncc2cc1OCc1cccc(Cl)c1 473150813 MSIDVNKLVFKGIB-UHFFFAOYSA-N 422.847 5.645 0 1 HKAF Cc1cc(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)ccc1Br 586975899 GUIJTIVWAWMIPD-UHFFFAOYSA-N 407.311 5.804 0 1 HKAF COc1cc(-c2nc3ccc(Br)cc3[nH]2)cc(Cl)c1OCC(C)C 587044652 KVQWSSWSBRFWJB-UHFFFAOYSA-N 409.711 5.689 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2[nH]c(-c3ccc(Cl)cc3)nc12 587069418 KJNATICSIJRBOU-UHFFFAOYSA-N 415.802 6.154 0 1 HKAF Fc1cc(Br)cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587083516 YAMIGDLEJGUSQP-UHFFFAOYSA-N 411.061 5.987 0 1 HKAF COc1ccc2cc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)ccc2c1 587099295 YAFKAEKTRQLRPU-UHFFFAOYSA-N 401.465 6.583 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cccc(CCC(F)(F)F)c3F)nc3cccc1c23 587103463 IINHXOCZZKDGCC-UHFFFAOYSA-N 421.393 6.747 0 1 HKAF Cc1c(Br)ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 587120423 IIHLRZDCHQWOQK-UHFFFAOYSA-N 413.119 5.062 0 1 HKAF Fc1ccc(S)cc1-c1nc2c(Br)ccc(Br)c2[nH]1 587140956 KUDTXIRWVSXARO-UHFFFAOYSA-N 402.086 5.183 0 1 HKAF CCCCOc1cc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1Br 587152422 MYJAZLZTVZQZRX-STQMWFEESA-N 421.285 6.054 0 1 HKAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587163719 RUGQTCCRADQPII-UHFFFAOYSA-N 418.777 6.272 0 1 HKAF Fc1ccc2[nH]c(-c3nc4cccc(I)c4[nH]3)c(Cl)c2c1 587175131 QLTLGOXOAMCPDA-UHFFFAOYSA-N 411.605 5.108 0 1 HKAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 587197845 VJJZWCQDTSJCPD-SNVBAGLBSA-N 423.152 5.306 0 1 HKAF C[C@@]1(c2c(Cl)ccnc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327704 HDHKBAKCXYDXJF-LAUBAEHRSA-N 418.251 5.507 0 1 HKAF CC[C@]1(c2cc(F)c(O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328055 ANAFRFZHJAGWOZ-NZQKXSOJSA-N 414.379 5.180 0 1 HKAF C[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(F)ccc2O1 587330833 FZXSKVMWOQJZRZ-PZSUSGJMSA-N 408.400 5.096 0 1 HKAF CN(C)/C=C/[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337474 RRGYDCAQFAFJRT-HGJZCRRWSA-N 421.443 5.000 0 1 HKAF CCOC(=O)Cc1c(C2CC2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587363762 UPIHGUVCFJTGST-UHFFFAOYSA-N 401.462 5.640 0 1 HKAF C[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2S1 587376338 WQBQMFRPXPGRNH-MQWOPBJLSA-N 406.478 5.670 0 1 HKAF CCCC[C@]1(c2ccc(Br)cc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587425451 CPNOPCMJYDWVSH-IIBYNOLFSA-N 419.290 5.430 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)c3cccc(Cl)c3)cn1C)CC2=O 587462997 SMFARYKMENWBOY-QFIPXVFZSA-N 423.896 5.274 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(F)c(Br)c1F)CC2=O 587465055 FSUQVSSQHWJRNZ-LJQANCHMSA-N 411.242 5.266 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc(Nc3ccc(F)cc3)s1)CC2=O 587473119 XKGKKQBNCFCGQK-JOCHJYFZSA-N 412.486 5.565 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(N3CCC(C)CC3)ccc1N)CC2=O 587473754 BXENODQZIPGHIQ-VWLOTQADSA-N 408.542 5.044 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1csc(N(C(C)=O)c3ccccc3)n1)CC2=O 587493291 DHEYOPJOXCWEKD-NRFANRHFSA-N 422.506 5.192 0 1 HKAF CC(C)(C)OC(=O)c1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597949 WWTUQDYPICAQTI-NFBKMPQASA-N 418.445 5.050 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2O)cc1 587610095 PNXNNWFUOZTUSF-BVAGGSTKSA-N 410.425 5.468 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12c1ccccc1Oc1ccccc12 587612129 UHOWJNQXYRTGOV-QHCPKHFHSA-N 408.409 5.403 0 1 HKAF COc1ccc2c(C)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)oc2c1 587615342 GQNMZLTZTWFZTI-GBXCKJPGSA-N 402.402 5.158 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)c2c1 587639536 ZALKDKAQYVMOIO-KYDAEMDSSA-N 400.404 6.975 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1c(F)cc(F)cc1Cl 587655445 HLEDMTNKFBYYDN-UHFFFAOYSA-N 404.750 5.263 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ccc3cccnc23)N1 587695039 IYMUKTZPNHTAIV-APBUJDDRSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c2[nH]c2ccc(Cl)cc32)N1 587700743 SRTDCTPNZQOKAG-WVDJIFEKSA-N 419.725 5.447 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(C(F)(F)F)N1 587707029 SDZHILHGDFJSND-KZULUSFZSA-N 416.256 5.513 0 1 HKAF CC1=C[C@@H]2C=C([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)C(Cl)=N[C@@H]2C=C1 587708720 ZSFXDOGYDSBHBS-DRJHQHNCSA-N 421.741 5.242 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2CCC(F)(F)F)N1 587709215 JMCFWQFJCQYLTH-BBATYDOGSA-N 416.256 5.707 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2CCC(F)(F)F)N1 587709217 JMCFWQFJCQYLTH-ZMZPIMSZSA-N 416.256 5.707 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(C(F)(F)F)N1 587710096 QLVCEUNZNOIBPZ-ABKXIKBNSA-N 422.647 5.582 0 1 HKAF CCCCC[C@@]1(c2ccc(N)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587742504 AEQFFUHPZRGBAB-QKKBWIMNSA-N 405.355 5.529 0 1 HKAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587782502 NDCXVIHTPQOCKC-UHFFFAOYSA-N 418.802 6.187 0 1 HKAF CC[C@H](C)Oc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587791124 ILOMQSIXFQNLQN-OYMPBJRDSA-N 422.338 5.398 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC3CCCC3)c2)N1 587810820 MFJRHIKYIVWMPM-ASSNKEHSSA-N 404.323 5.533 0 1 HKAF Cc1csc2sc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)c12 587854542 CQEQLBKUQGIVOC-ABKXIKBNSA-N 410.377 6.105 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(C(C)C)cc1 587858325 DZLWVKFUKVSFMB-UHFFFAOYSA-N 403.309 6.068 0 1 HKAF Nc1c(Br)cccc1-n1c(O)cc(-c2ccc(Cl)cc2Cl)c1O 587934468 GANRHFJBDMIQQX-UHFFFAOYSA-N 414.086 5.207 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cnncc2[nH]1 587958176 BHRPUWJQYGBNDT-RCHUDCCISA-N 404.602 7.207 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cccc(O)c2[nH]1 587962455 XSDUVTBJEKIKGM-XSCOUVMYSA-N 418.625 8.123 0 1 HKAF Cc1cccc([C@@]2(c3ccc(Cl)c(Cl)c3)NCCc3cc(C)c(F)cc32)n1 962373942 KMMOLVLMTKGTRP-QFIPXVFZSA-N 401.312 5.582 0 1 HKAF CCOC(=O)[C@H]1CC[C@]2(C(CC)=C1C)c1ccsc1CCN2Cc1cccn1C 962402087 ZFAGOBYJRYLKIX-CYFREDJKSA-N 412.599 5.040 0 1 HKAF COc1ccc2c(c1OC)[C@@H](c1ccn(-c3c(C)cc(C)cc3C)c1)N(C)[C@@H](C)C2 962638295 PGMDBLFWNHDLFT-UQBPGWFLSA-N 404.554 5.386 0 1 HKAF OCC1(c2cccc([C@@H]3c4ccsc4CCN3Cc3ccco3)c2)CCCCC1 962709356 RMKAFTOFOHZCSA-XMMPIXPASA-N 407.579 5.683 0 1 HKAF C[C@]1(c2ccc(F)cc2Cl)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962961149 STEQGIPWOBYIJH-IBGZPJMESA-N 413.842 5.413 0 1 HKAF CN1C(=O)C[C@H]2CN[C@](C)(c3ccc(-c4ccc(Cl)cc4)s3)c3cccc1c32 963018805 CNVSBSXLNMHZHR-WNSKOXEYSA-N 408.954 5.385 0 1 HKAF CN1CCc2c(Br)cccc2[C@]12CC(=O)C[C@@H](c1ccc(Cl)cc1)C2 963282851 YUEHOIBLHSHMAE-VFNWGFHPSA-N 418.762 5.323 0 1 HKAF O=C(O)Cc1cccc(NCc2cc3cccc(-c4ccc5ccccc5c4)c3s2)c1 1772618364 RUZMOCNGEKKSLC-UHFFFAOYSA-N 423.537 6.961 0 1 HKAF O=C(Nc1ccccc1F)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12 1772656548 HVROETUKFTYRDA-UHFFFAOYSA-N 414.267 5.783 0 1 HKAF O=C(O)CCCc1nc(-c2ccc(Cl)c(Cl)c2)c(-c2cc(F)ccc2F)o1 1857540881 PQZZCTMSUMFCHD-UHFFFAOYSA-N 412.219 6.001 0 1 HKAF CCOc1cc(C)c(-c2cccc(COc3ccc(NCC(=O)O)c(F)c3)c2)c(C)c1 1857543701 LEGDSBNRMYFRJH-UHFFFAOYSA-N 423.484 5.584 0 1 HKAF O[C@H](c1cc([C@@H]2CC3CCC2CC3)nc2c(Cl)c(Cl)ccc12)[C@H]1CCCCN1 1857570337 XEULTWOBQMQZND-RUWOJYOLSA-N 419.396 6.011 0 1 HKAF Clc1ccc(CCNCc2c(-c3ccc(Cl)cc3)nc3sccn23)cc1 1857582762 UZOXKCGOBOQFTI-UHFFFAOYSA-N 402.350 5.702 0 1 HKAF N[C@@H](c1ccccc1)c1csc(NC(=O)NC(c2ccccc2)c2ccccc2)n1 1857615922 GNTPIZSYPQNAHD-NRFANRHFSA-N 414.534 5.102 0 1 HKAF CC(C)=CCC[C@](C)(O)[C@H](O)CCC(C)=CCCC(C)=CCc1c[nH]c2ccccc12 2356442812 QSCZFXVTYWFEJV-IZLXSDGUSA-N 423.641 7.022 0 1 HKAF CC(C)CC=C[C@H](CO)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356505442 FJZWOTQYPZTQLK-ILFYRDGGSA-N 402.663 6.217 0 1 HKAF O=C(O)CCC=CC[C@H](CCCCCC[C@@H]1C=C(CO)CC1)Cc1ccc(O)cc1 2356633208 QAMRKKHMHVUAKC-VXKWHMMOSA-N 414.586 6.031 0 1 HKAF C[C@@H]1C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)C[C@H]1C 2356695492 JAVFSUSPBIUPLW-AVUMBJMTSA-N 414.674 7.259 0 1 HKAF CC(C)=CCCC(=CCCC=CCC[C@@]1(C)C=Cc2cc(O)cc(C)c2O1)C(=O)O 2356726402 ZTWCHQMSLJFUPF-SANMLTNESA-N 410.554 6.739 0 1 HKAF C[C@@H]1CC=C[C@](C)([C@H]2C[C@H](Cc3cc(O)cc(CCCO)c3)CC3(CCCC3)C2)C1 2356729615 WAVVAHNLJRLTOM-BQXMOOCUSA-N 410.642 6.829 0 1 HKAF CC(C)[C@H](C)NC(=O)c1c(C(C)(C)C)noc1-c1cc(Br)ccc1F 2483699 NNJAFSSTPWGHCP-NSHDSACASA-N 411.315 5.315 0 1 HKAF COc1ccc(-c2cc(-c3ccccc3)nc3c2CC(=O)Nc2ccccc2-3)cc1OC 13222599 SGZJSYXKEGHHMW-UHFFFAOYSA-N 422.484 5.594 0 1 HKAF CC(C)CCNC(=O)c1ccccc1-c1ccccc1CNC(=O)c1ccccc1 13493168 JOGIZWICIRWGFL-UHFFFAOYSA-N 400.522 5.060 0 1 HKAF CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](COC(=O)NC23CC4CC(CC(C4)C2)C3)C1 13579463 ONVQNICZEDGKRG-XETRGNPWSA-N 416.993 5.070 0 1 HKAF CS(=O)(=O)c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(=O)o2)cc1 13581297 ZPJDGHCZBKIRFX-UHFFFAOYSA-N 402.471 5.044 0 1 HKAF CCCN(CCC)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C 13587329 KTEGSJCLCDVVJS-UHFFFAOYSA-N 420.793 6.418 0 1 HKAF Clc1cccc(Nc2cncc(-c3cncc(NCCCc4cccnc4)c3)n2)c1 13648412 IRNVMUQZQDLZAK-UHFFFAOYSA-N 416.916 5.375 0 1 HKAF CC[C@H](NC(=O)c1c(NC(C)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 13795691 YXEHDPNKLSDGAG-QFIPXVFZSA-N 423.516 5.741 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccccc2)c(Cl)c1)C3 26163805 AQWNEEQYGAZQAV-SZBAZXJUSA-N 421.968 5.684 0 1 HKAF CC1=C(c2ccc(O)cc2)[C@H](CCCCCCCCN2CCCC2)c2ccc(O)cc21 26578213 ABMNCHDDUSCEFX-AREMUKBSSA-N 419.609 6.952 0 1 HKAF COc1ccc(CCN(C)CCCC2c3ccccc3-c3ccccc32)cc1OC 29393585 FFFMOCUAYIWFMB-UHFFFAOYSA-N 401.550 5.771 0 1 HKAF COc1ccc2c3c([nH]c2c1)[C@H](c1ccc(C)cc1)N(C(=O)CCc1ccccc1)CC3 35901877 QWGSCRKGHQQIEX-NDEPHWFRSA-N 424.544 5.592 0 1 HKAF CCCCN(C)C(=O)Cc1c(-c2ccc(OC)cc2)nc2c(Cl)cc(Cl)cn12 40936833 AGIAGHRFZKNHMN-UHFFFAOYSA-N 420.340 5.118 0 1 HKAF Cc1ccsc1C(=CCCN[C@H]1CCCc2onc(O)c21)c1sccc1C 66258922 TYXWOLAOXRISSO-INIZCTEOSA-N 400.569 5.609 0 1 HKAF in-vitro COc1cccc(CN2CCC(=O)[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C2)c1 72106714 HRNKBAZAWCPGGM-XMMPIXPASA-N 421.487 5.197 0 1 HKAF CCCOc1ccc(-c2cc(OCCN3CCSCC3)c3ccccc3n2)cc1 96927240 QDXMTQLBYZNYSE-UHFFFAOYSA-N 408.567 5.118 0 1 HKAF Brc1ccc(Cn2ccc3nc(CCCc4ccccc4)nc-3c2)cc1 100068224 SZFXYYCLGLRXJH-UHFFFAOYSA-N 406.327 5.369 0 1 HKAF CN(Cc1nc2cc(C(F)(F)F)ccc2nc1-c1ccccc1)c1ccc(F)cc1 103266345 JYPUGGQUHGBLRQ-UHFFFAOYSA-N 411.402 6.091 0 1 HKAF CCc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCCCC2)cc1 103692698 YLUXOWKDXAZISV-HSZRJFAPSA-N 406.570 5.706 0 1 HKAF O=C(c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]n(-c2ccc(Cl)cc2)c1=O 137710068 YGOPFZUOQLMNDO-UHFFFAOYSA-N 409.272 5.370 0 1 HKAF Cc1noc(C)c1S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1 149937172 OYIQOTCKVPZCCB-UHFFFAOYSA-N 404.900 5.054 0 1 HKAF O[C@H](C[C@H]1CCCCN1)c1cc(-c2ccccc2)nc2c(C(F)(F)F)cccc12 169333481 ZJTKQLQPEGHTAA-IIBYNOLFSA-N 400.444 5.486 0 1 HKAF CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(F)cc2)nc2cc(F)ccc12 169334677 BPNIOAQVLUGSAF-RUZDIDTESA-N 412.524 6.116 0 1 HKAF CCN(CC)C(=S)S[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)cc1 169345006 YNQWJYDNFRZPCJ-RTBURBONSA-N 405.972 5.385 0 1 HKAF OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2CCCSc1ccc(F)cc1 299829856 MPWWGTFDWDZHRM-RLAPIPATSA-N 405.966 5.476 0 1 HKAF CCCCCOc1cc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2cc1Br 586887909 VHKCMNXBEMCJII-QLFBSQMISA-N 417.347 5.533 0 1 HKAF Cc1cccc([C@H]2CC(=O)Cc3nc4ccc(O)c5c4c(c32)-c2ccccc2C5=O)c1 586990065 ILIYWDUVUANKGG-LJQANCHMSA-N 405.453 5.107 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc4ncccc4c3[nH]1)N2 587030810 IUVSGMXAAKUSER-PFSWGADMSA-N 421.551 5.238 0 1 HKAF Clc1ccc(CN2CCC[C@@H]2c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 587077158 QXJVJWWJAMYYEI-HSZRJFAPSA-N 403.913 6.346 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(F)cc(F)c4[nH]3)c(Cl)cc12 587078646 YFUGWJRRZSXPMP-JTQLQIEISA-N 418.827 5.693 0 1 HKAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587117719 VXBQNJTZCRODKS-UHFFFAOYSA-N 419.112 5.188 0 1 HKAF COc1ccc(C(=O)c2ccccc2-c2nc3ccc4nc(C)ccc4c3[nH]2)cc1F 587144909 QWJHARNYYJOKSO-UHFFFAOYSA-N 411.436 5.465 0 1 HKAF COc1cccc(-c2cc(F)cc(-c3nc4c(C)c(Br)cnc4[nH]3)c2)c1 587160602 XNGYYVNCHQXRQR-UHFFFAOYSA-N 412.262 5.511 0 1 HKAF Cc1c(Br)cnc2[nH]c(/C(=C/c3ccc(F)cc3)c3cccs3)nc12 587164533 UDEUMGXYCKJPJZ-NTEUORMPSA-N 414.303 5.818 0 1 HKAF COc1cccc(-c2cc(-c3cc(Cl)c(C)cc3O)nc3c2oc2ccccc23)c1 587358142 PEIMJZPPWUPZRV-UHFFFAOYSA-N 415.876 6.991 0 1 HKAF Cc1ccc([C@@]2(C3CCCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587358397 XUZQKBYCXITPBS-AHKZPQOWSA-N 416.492 6.284 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]([C@@H]2CCCN2C)CCC3)c1 587362602 HYVGYRMCPWKUGL-UGKGYDQZSA-N 412.533 6.171 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc4ccccc4cc2C3)c1 587365413 HDOZINWLXYKFCT-UHFFFAOYSA-N 413.476 7.381 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3ccccc3)c(C(F)(F)F)s1)O2 587380805 AUYXUFWBMMWHKM-QGZVFWFLSA-N 403.425 6.031 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)cc(Br)cc1Cl)[C@@H](C2)C3=O 587411498 CQVXJAOPDWFQOH-DYZYQPBXSA-N 414.082 5.253 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Br)c4ccccc14)[C@@H](C2)C3=O 587418163 SFDNXZWTKZMGBL-JTSKRJEESA-N 409.279 5.274 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCCc3ccc(Br)cc31)CC2=O 587458773 UHRPIARDYCHZJY-JOCHJYFZSA-N 415.327 5.694 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc3cc(N(C)C)ccc3c1)CC2=O 587468209 IUBLSHFDXBPETH-SANMLTNESA-N 403.522 5.835 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC)([C@H]1CCCCN1C(=O)OC(C)(C)C)CC2=O 587474579 GEULSAWGEIIMOF-HYBUGGRVSA-N 417.546 5.248 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cccs1)([C@H](O)c1cccs1)CC2=O 587495378 QPOMGXFFOWCUCR-NHCUHLMSSA-N 400.521 5.062 0 1 HKAF CC(C)[C@@]1(c2ccc(OC(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510104 YTAYXMWTLWTJRB-JOCHJYFZSA-N 404.428 5.981 0 1 HKAF CCC[C@H](N1CCCC1)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514785 PIQCPTLDQIFOIZ-BDYUSTAISA-N 403.566 5.691 0 1 HKAF O=C1C[C@H](c2cc3ccc(Br)cc3s2)Oc2c1ccc1c2CCCC1 587535469 LCTDJYBJMYTSOC-GOSISDBHSA-N 413.336 6.249 0 1 HKAF CC(C)(C)C[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543347 BJUTZIXYVFJGKO-OFVILXPXSA-N 422.908 6.339 0 1 HKAF CCCCn1nc(C)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550200 VINFALBWZOLRQA-VGOFRKELSA-N 412.873 5.054 0 1 HKAF Cn1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc2cc(Cl)ccc21 587551911 LDEMMENCJIDHMO-NFBKMPQASA-N 405.837 5.240 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(-c2cccs2)c1 587555962 ICEIOWDJEJZCAF-QPPBQGQZSA-N 418.445 5.963 0 1 HKAF C[C@@]1(c2cc(Cl)c(Cl)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557126 LROWSURHEIJEFG-NQIIRXRSSA-N 419.235 5.715 0 1 HKAF CCCOc1ccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 587587090 FNQSBTSYYZNQQE-WIOPSUGQSA-N 415.445 5.365 0 1 HKAF CC(C)(C)Sc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587608209 QBAQSAHGBWRCBW-NZQKXSOJSA-N 406.503 5.986 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(C(=O)C(F)(F)F)c2c1 587640814 JKLRMUUDAXDGQQ-LLVKDONJSA-N 424.260 6.856 0 1 HKAF CC[C@]1(c2c(Cl)cccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 587694185 OUJUTFLEVJBGCJ-MGNBDDOMSA-N 417.149 6.083 0 1 HKAF CC(C)[C@]1(COCc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587802705 UDILXBANSRPMED-VFNWGFHPSA-N 406.339 5.191 0 1 HKAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC1CC1 587807039 KSVMALGQTQSONX-XUSGNXJCSA-N 420.322 5.009 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccccc2)N1 587811054 MLGQTEBLTZCODD-RCDICMHDSA-N 412.302 6.004 0 1 HKAF Cc1cc(C)cc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 587821221 TZIRKXPIUXPNRE-VOIUYBSRSA-N 424.357 6.496 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3cccc(O)c3)c2)N1 587831936 IKIFJBCXDDGCBG-XMHCIUCPSA-N 412.302 5.584 0 1 HKAF CCOc1cc(C(C)=O)c(OCC)n1-c1cc(OC(C)C)c(Cl)cc1Cl 587942840 CFUBNOHRSVFRFF-UHFFFAOYSA-N 400.302 5.571 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 587949442 GSZMTJPHUHCQJI-UHFFFAOYSA-N 404.469 6.177 0 1 HKAF CCCOc1cc2nc(CCC(=O)c3ccc(CC)cc3)[nH]c2cc1Br 587956090 SVNBPAXRDIQUDR-UHFFFAOYSA-N 415.331 5.492 0 1 HKAF CCn1c(CCC(=O)Nc2cccc(Cl)c2C)nnc1CCC1CCCCC1 653740489 WSGYCZCOEBMEQX-UHFFFAOYSA-N 402.970 5.344 0 1 HKAF CC(C)(C)C[C@@]1(c2ccc(Cl)cc2F)NCCc2cccc(-c3ccccc3)c21 962667365 NXWWSAJHZIBOGE-SANMLTNESA-N 407.960 6.972 0 1 HKAF Oc1ccc2c(c1)[C@@H](c1cn(Cc3ccccc3)nc1-c1cc3ccccc3o1)NCC2 963352497 LSNRNCGMJZIZOI-SANMLTNESA-N 421.500 5.285 0 1 HKAF CC1(C)CCc2cc([C@H]3CC(=O)c4c(O)cc5c(c4O3)CCC(C)(C)O5)c(O)cc2O1 1772608380 OSHUTOTYCNDALZ-HXUWFJFHSA-N 424.493 5.012 0 1 HKAF Cc1cc(-c2nc(-c3ccc(C(F)(F)F)c(C)c3)n3c2CCO[C@H](C)C3)cc(C)n1 1772641766 VPLUBPIQRLYTPL-MRXNPFEDSA-N 415.459 5.517 0 1 HKAF CC[C@@H](C)[C@H](NC(=O)[C@]1(C)CCC[C@@H]2[C@H]3CCC(C(C)C)=CC3=CC[C@H]21)C(=O)OC 1857575761 VSCOYGHZRMTWSQ-CITMZVKXSA-N 415.618 5.435 0 1 HKAF CCOC(=O)c1c(C=CCCCCCCCCO[C@@H]2CCCCO2)cccc1OC 1857622824 CDIPBCLPESNNDH-QHCPKHFHSA-N 418.574 6.159 0 1 HKAF CC(=O)OCC=C(CCC=C(C)CCC=C(CCC=C(C)C)C(=O)O)COC(C)=O 2356552174 HIKQPXPTFKUOGM-UHFFFAOYSA-N 420.546 5.303 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CCC2=C3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 2356623081 AVFWODJEHWOSGS-JMNIWFKPSA-N 400.647 6.280 0 1 HKAF CC(=O)[C@@H]1C(C)(C)C[C@@H]2C[C@H](C)C[C@@H]2[C@@H](OC(=O)C=Cc2ccccc2)[C@@]1(C)C(C)C 2356698822 POKZVPGYYXWMBO-VDLVQTPKSA-N 424.625 6.571 0 1 HKAF COc1cc(OC)c2c(c1)[C@H](CCCCCC[C@H]1CC[C@]3(CC[C@H](C)O3)O1)OC2=O 3825932 MDVWGBKYBVEXHU-MEICDQCUSA-N 418.530 5.330 0 1 HKAF Cc1cccc(CCNC(=O)c2nc(-c3ccc(Cl)cc3)n3c2CCCCC3)c1 6935663 ZAXWENRYGJDIAR-UHFFFAOYSA-N 407.945 5.211 0 1 HKAF COc1ccc([C@H](Cc2ccc(C(=O)O)cc2)c2ccccc2)cc1OC1CCCC1 13441968 ZTWFYOZXHYHJBN-XMMPIXPASA-N 416.517 6.089 0 1 HKAF CC(C)C(=O)NC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 14973017 HMHCFRUVEAGYSO-LXVLQKCJSA-N 401.635 5.335 0 1 HKAF COc1ccc(CC(=O)c2c(O)c3c(c(CC=C(C)C)c2OC)OC(C)(C)CC3)cc1 27621510 MNMGUSVHBUTENU-UHFFFAOYSA-N 424.537 5.447 0 1 HKAF COc1ccc(C(=O)c2sc(Nc3ccc(Cl)cc3)c(C(=O)O)c2C)cc1 28713193 UFAKHLGMXXNBNA-UHFFFAOYSA-N 401.871 5.391 0 1 HKAF CCCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 28823245 OKWFVZWLUGNVAC-CQSZACIVSA-N 416.370 5.260 0 1 HKAF c1ccc(C(c2ccccc2)c2ccc(OCCN3CCCC3)c3ccccc23)cc1 28955490 YXWSZOZQJJMHQR-UHFFFAOYSA-N 407.557 6.495 0 1 HKAF O=C(O)CC/C=C\C[C@@H]1CO[C@H](c2cccc3ccccc23)O[C@H]1c1cccnc1 36242215 FGBMMJPOIOWZGC-MCHGCPLBSA-N 403.478 5.449 0 1 HKAF CCOc1ccc(Nc2nc3cc(C(=O)N(CC)CC)ccc3n2CCC(C)C)cc1 38396745 OIFJPDXHVAIHHP-UHFFFAOYSA-N 422.573 5.707 0 1 HKAF CCCOc1ccc(NC(=O)O[C@@H](Cn2nc(C(C)C)cc2C(C)C)C(C)C)cc1 40395331 HYXQNSCOGRVOCW-QHCPKHFHSA-N 415.578 6.192 0 1 HKAF Cc1cc(-c2conc2C)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 42964019 YAAGDZPDTHBJBA-UHFFFAOYSA-N 400.265 5.787 0 1 HKAF CC(C)[C@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1 49036704 IICXUBMRVLNRHY-FTJBHMTQSA-N 405.582 5.525 0 1 HKAF CCOP(=O)(OCC)[C@@H](NC(=S)N[C@@H](C)c1ccccc1)c1ccccc1 59130108 KSMZKXCHQBRXMD-QFBILLFUSA-N 406.488 5.177 0 1 HKAF c1cc(NCCCNCc2ccc3c(c2)OCO3)c2ccc(C3CCCCC3)cc2n1 72126062 LIBFNIYPVVURRM-UHFFFAOYSA-N 417.553 5.603 0 1 HKAF O=C(N[C@@H](c1cccc(Cl)c1Cl)C1CCNCC1)c1ccc2cnccc2c1 72180024 FPARTTUOOZOWFP-OAQYLSRUSA-N 414.336 5.012 0 1 HKAF Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2ncc(C)o2)c1 82173039 YFKVLKKIHUQDQW-AGKXRFJRSA-N 402.542 5.898 0 1 HKAF CCCc1nc2cc(NCc3ccc(CC)cc3)ccc2n1-c1ccc(OCC)cc1 95595725 MWUABTWCWDOMIG-UHFFFAOYSA-N 413.565 6.551 0 1 HKAF O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2cccc(-c3cccs3)c2)C1 96272156 WXBQPCKIPAMLGX-SFHVURJKSA-N 424.953 5.559 0 1 HKAF Cn1ccc2c(OCCN3[C@H]4C=C(c5ccc6ccccc6c5)C[C@H]3CC4)cccc21 101019741 PACNMVZHIRIVJY-JWQCQUIFSA-N 408.545 6.031 0 1 HKAF CCOC(=O)CCn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1 103211894 ZCAWSTFFZRJXBM-UHFFFAOYSA-N 424.715 5.526 0 1 HKAF CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccncc1C 114610441 WZTDOSIMIYYGFV-XSRRHSMZSA-N 409.489 5.733 0 1 HKAF Oc1ccc2c(c1)CCc1ccc(cc1)Oc1cc(ccc1O)CCc1cccc(c1)O2 138001223 UXVWIQQXRXSLBN-UHFFFAOYSA-N 424.496 6.566 0 1 HKAF CC[C@H](CCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 140387790 JXICCPITYACVOP-YEXHXRTFSA-N 400.691 7.779 0 1 HKAF [C-]#[N+]c1ccc(N2C(=O)C3(CCC3)N(c3ccc(O)cc3)C2=S)cc1C(F)(F)F 167526637 MTEBOHMJSSGFSS-UHFFFAOYSA-N 417.412 5.023 0 1 HKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCOC[C@@]1(C)CCc2cc(O)c(F)cc2O1 169294551 JELMBHCKEXSVGQ-ISJBWFOZSA-N 422.625 7.291 0 1 HKAF O=C1Nc2ccccc2[C@H](O)C1(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 169346090 FUXSCXURCIRELX-NRFANRHFSA-N 412.316 5.451 0 1 HKAF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3OC 230452459 AEQRPUMCBRKXFZ-BJLOMENOSA-N 420.634 5.220 0 1 HKAF COc1ccccc1N1[C@@H](c2ccccc2)[C@@]12C(c1ccccc1)=Nc1ccccc12 299847113 HUKGLBIOHJMAPH-VXLAJHQFSA-N 402.497 6.286 0 1 HKAF Cc1ccc2ccccc2c1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 586883629 MDFJYXUZIUULQV-UHFFFAOYSA-N 421.216 6.353 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(C(F)(F)F)cc3O)nc3ccc(O)c1c23 586985708 FILKHBZAUGJUDU-UHFFFAOYSA-N 407.347 5.543 0 1 HKAF Clc1cnc(Cl)c2[nH]c(COc3ccc4ccccc4c3Br)nc12 586999796 BXRXQDLYAXDTDT-UHFFFAOYSA-N 423.097 5.759 0 1 HKAF Fc1cc(Br)c2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 587074360 UBLXIZMKSIAINM-INIZCTEOSA-N 408.702 5.455 0 1 HKAF Fc1c(Br)ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc12 587083670 FREJRHAKGRYVCZ-UHFFFAOYSA-N 402.654 5.847 0 1 HKAF COc1cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2cc1Cl 587114484 BOOPYHXCJWRZFX-UHFFFAOYSA-N 406.589 5.068 0 1 HKAF COc1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c(I)c1 587178725 JNLJIFSXYSWDIA-UHFFFAOYSA-N 419.049 5.150 0 1 HKAF Cc1c(Cl)ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c12 587239704 NRJFDQFDIWSTGJ-YOKWENHESA-N 419.953 5.080 0 1 HKAF C[C@]1(c2cccc(C3CCC3)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337269 VAPODGXJDCPZCD-ZEQKJWHPSA-N 420.455 6.212 0 1 HKAF C[C@]1(c2cccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338101 WOBIKRTVJSTLLL-DENIHFKCSA-N 400.808 5.598 0 1 HKAF CCOc1ccc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587347431 DKCZGXMATCLNQV-NOZRDPDXSA-N 406.453 5.290 0 1 HKAF COc1ccc2[nH]cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2c1 587349548 VEICCEKKYODATR-UKILVPOCSA-N 417.436 5.296 0 1 HKAF COc1cccc(-c2cc(CCc3n[nH]c4ccccc34)nc3c2oc2ccccc23)c1 587362053 CSNHNJPQTFMFLM-UHFFFAOYSA-N 419.484 6.318 0 1 HKAF CSc1cccc([C@@]2(c3ccc(F)cc3F)CC(=O)c3cc(C)cc(N)c3O2)c1 587385132 MCQKCOINGSDEOI-HSZRJFAPSA-N 411.473 5.486 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc(Cl)c4Cl)o1)[C@@H](C2)C3=O 587417356 CHSKQARFNYCKKQ-YEJXKQKISA-N 401.245 5.751 0 1 HKAF COc1cc2c3c(c1)O[C@]1(C=C(c4ccccc4)Oc4ccc(Cl)cc41)[C@@H](C2)C3=O 587420234 HVQJDUXFWYMOJT-DFBJGRDBSA-N 416.860 5.425 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cc(Cl)ccc4Cl)o1)[C@@H](C2)C3=O 587424144 XPURVAFMJHTYNH-QKKBWIMNSA-N 401.245 5.751 0 1 HKAF Cc1c(C(=O)O)sc2ncc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc12 587539917 YNFYLBFWVQTHDN-QHCPKHFHSA-N 407.491 5.062 0 1 HKAF COc1ccc(C(F)(F)F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549566 QWXGIWQAJRPNAY-NQIIRXRSSA-N 416.351 5.123 0 1 HKAF COc1ccc2oc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)c2c1 587618233 SQFDPHMOONAVCP-PXDATVDWSA-N 416.429 5.332 0 1 HKAF Cc1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625141 CURCFBHOZZZHSQ-UHFFFAOYSA-N 422.166 6.943 0 1 HKAF COc1ccc(Br)cc1-c1[nH]c2ccc(F)c(Cl)c2c1CC(=O)O 587627826 BEOWCCHITOXPSR-UHFFFAOYSA-N 412.642 5.026 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3cc(OC)c(Cl)cc3OC)c2c1 587642930 WYOSFXXMIPJREY-GFCCVEGCSA-N 400.906 5.913 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)ccc2Cl)N1 587691409 FSYXOEHMXULWAB-HUTHGQBESA-N 403.122 5.693 0 1 HKAF Cc1cc2c(c(C)c1Cl)[C@@]1(CCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587693572 DWXVRQBJIFOWBA-PRWKNARSSA-N 424.741 5.419 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3ccnc3)c(Cl)c2)N1 587697826 ULSKTPNEHUUPIO-NSPYISDASA-N 420.713 5.051 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(F)(F)F)ccc2F)N1 587715943 YUTZVNXWJLLYID-HUTHGQBESA-N 420.219 5.544 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(c3ccc(F)cc3)CC2)N1 587735946 RWODIHDTYULTOE-TZHTUTLZSA-N 406.314 5.815 0 1 HKAF Cc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587757062 ULQJUCJFKOZXSA-OYHNWAKOSA-N 413.334 5.619 0 1 HKAF Cc1ccc([C@@]2(c3ccccn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587774479 VKNFVLCCKNQIPE-NYHFZMIOSA-N 411.318 5.118 0 1 HKAF CC(=O)C[C@@]1(c2c(C)cc(C)cc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587809982 BSJZANDQIRCVRO-IVZQSRNASA-N 418.350 5.270 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(C(C)(C)C)N1 587815141 YXVRNSFSTFVBKE-NYHFZMIOSA-N 404.367 5.997 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3cccs3)n2)N1 587852406 KTNMHVDPIHBTHB-XXFAHNHDSA-N 409.349 5.397 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1nccs1 587852564 HHPOYTXYHOBMEM-XTZNXHDOSA-N 420.351 5.076 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(=O)n(C)c2ccccc12 587859448 JHPLGRYACKPOGZ-UHFFFAOYSA-N 414.292 5.097 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2cc(F)ccc2s1 587868305 YYLYUHRUHPAZBE-UHFFFAOYSA-N 421.375 5.015 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2c(s1)-c1ccccc1CC2 587872740 PSURLWDPMXSLDD-UHFFFAOYSA-N 418.493 5.604 0 1 HKAF Cc1ccoc1C(=O)Nc1ccc(N2Cc3c(Cl)cccc3C2=O)c(Cl)c1 653740622 FVHRTMALRHTFIM-UHFFFAOYSA-N 401.249 5.308 0 1 HKAF Cc1ccc(-c2cnc([C@H]3NC4(CC4)Cc4ccc(Br)cc43)o2)c(C)c1 961616103 QTPSHBDYDIJVNV-FQEVSTJZSA-N 409.327 5.489 0 1 HKAF CCN(CC)c1ccc2cc([C@]3(C)c4ccc(F)cc4C[C@@H]4CCCN43)c(=O)oc2c1 963111793 RJIADAUTBRUFIP-LVXARBLLSA-N 420.528 5.062 0 1 HKAF O=C(Nc1cc(Br)cc(Br)c1)Nc1ccc2[nH]ccc2c1 1857541455 RESMFFMDSYQZGD-UHFFFAOYSA-N 409.081 5.337 0 1 HKAF COC(=O)c1ccccc1-c1ccc(CN2c3ccccc3N3CCCCC[C@@H]32)cc1 1857584378 VVEPVWPFESICNP-SANMLTNESA-N 412.533 5.867 0 1 HKAF C[C@@H]1CCC[C@@H]2[C@]1(C)CC(=O)[C@H]1[C@]3(C)C=C[C@]4(C)CCC(C)(C)C[C@H]4[C@@]3(C)CC[C@@]12C 2356451607 LONJPWUFRBKLHQ-CNFLGPLGSA-N 424.713 8.233 0 1 HKAF COC1=C(C)C(=O)OC1=C[C@H](C)CCC=C(C)CCCC(C)=CCCc1ccoc1 2356479640 XSQCUPIVRSNKHU-OAQYLSRUSA-N 412.570 7.053 0 1 HKAF CC[C@@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356672935 CKGXQXQXIGPTGU-FDVBFTCWSA-N 412.746 9.300 0 1 HKAF CC(C)CCC[C@H](CO)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356708486 RLHNRTIKLOSORC-MCJANRNCSA-N 418.662 5.332 0 1 HKAF Clc1ccc(CO[C@H](CN2[CH]NC=C2)c2ccc(Cl)cc2Cl)c(Cl)c1 2356816065 AOUJXIUCOWGKIW-GOSISDBHSA-N 417.143 6.054 0 1 HKAF C[C@H]1CN=C(c2cc(Cl)c(N)c(Cl)c2)c2c3ccc(C(F)(F)F)cc3nn21 206061503 MXQQCLVCLWSZJQ-QMMMGPOBSA-N 413.230 5.356 0 3 HKAF Cc1ccc2c(c1)c(Cc1nc3cc(C(F)(F)F)ccc3s1)cn2CC(=O)O 11536151 OMRPWZWTFRKTCV-UHFFFAOYSA-N 404.413 5.254 0 1 HKAF COc1cc2c(Nc3cccc(-c4csc(C)n4)c3)ncnc2cc1OCC(C)C 13490847 WKFVWLNKBLSZKH-UHFFFAOYSA-N 420.538 5.849 0 1 HKAF CCCCCOc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OCCCCC 13584619 QLSUSVWDCNDVMV-UHFFFAOYSA-N 424.537 6.607 0 1 HKAF c1ccc2c(c1)ccc[n+]2CCCCCCCCCCC[n+]1cccc2ccccc21 13859955 XZWPKRVTYLJQOV-UHFFFAOYSA-N 412.621 6.779 0 1 HKAF O=[S@@](CCC(F)(F)C(F)(F)F)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 28218164 QKDVIKKGHOTUOW-MUUNZHRXSA-N 414.399 5.439 0 1 HKAF CN(C(=O)CC(C)(C)C)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 28338772 AJPBIERWPWHRHF-UHFFFAOYSA-N 406.614 5.568 0 1 HKAF CCN(CC)C(=O)NCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1OC 29240849 LQNZMHUOMWJSSG-UHFFFAOYSA-N 412.921 5.192 0 1 HKAF CCCCOc1c(OCCCC)c(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O 29319554 ACDKULIJULHHRH-UHFFFAOYSA-N 422.905 5.702 0 1 HKAF Cc1ccc(C(=C/C=C/C(=O)NCCCCc2cccnc2)c2ccc(C)cc2)cc1 29546055 XXROTZOKAQSJRO-BJMVGYQFSA-N 410.561 5.825 0 1 HKAF CCCCC[C@H](CC)COC(=O)c1ccccc1C(=O)OC[C@@H](CC)CCCCC 33605769 SGKJLUZIKNCQOM-VXKWHMMOSA-N 418.618 7.213 0 1 HKAF biogenic COc1cccc(Nc2ncnc3ccc(NC(=S)Nc4cccc(F)c4)cc23)c1 45317315 RWAHMKZPUIEUKH-UHFFFAOYSA-N 419.485 5.330 0 1 HKAF Cc1cccc2nc(-c3ccc(-c4ccc(NC(=O)Nc5ccsc5)cc4)cc3)[nH]c12 45339315 HGKNVNVSOHDPAR-UHFFFAOYSA-N 424.529 6.911 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](CCCCN3C(=O)C=CC3=O)CCC[C@@]21C 72177879 DEGMVHIIWOTZEF-KDHQNNTKSA-N 401.635 6.377 0 1 HKAF Fc1cccc(Oc2cncc(NCCc3ccc(Oc4ccccc4)cc3)n2)c1 82068682 AOVFXGIVPFLMBP-UHFFFAOYSA-N 401.441 5.855 0 1 HKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 95561790 APDHRPBYZBJBLT-UOTWZFQQSA-N 400.603 6.272 0 1 HKAF O=C(C[C@H](c1ccc2ccccc2c1)C(C(=O)O)C(=O)O)c1ccc2ccccc2c1 95575682 FNHKBVSKJNGODI-JOCHJYFZSA-N 412.441 5.135 0 1 HKAF CCOC(=O)N1C(=O)C2(CCCCC2)N(c2ccc(-c3ccccc3)cc2)C1=S 95872958 CUSOFRJMLMVYLO-UHFFFAOYSA-N 408.523 5.147 0 1 HKAF CCCCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1cccs1 100703753 LWZGFCILQUMTTK-INIZCTEOSA-N 415.584 5.986 0 1 HKAF CCCCn1c(=S)[nH]c2c(c1=N)[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1)N2 103164521 PEYONFGOCGQBDB-KRWDZBQOSA-N 400.979 5.864 0 1 HKAF Cn1c(-c2cc3ccc(Br)cc3[nH]2)cc2cc(Br)ccc21 103259963 WVDZKGMFIWNNTR-UHFFFAOYSA-N 404.105 5.852 0 1 HKAF Cc1ccsc1C(=O)Nc1cccc(Oc2ccnc(-c3cc(C(=O)O)c[nH]3)c2)c1 116235463 ZMSJBZUCLZSJBD-UHFFFAOYSA-N 419.462 5.189 0 1 HKAF CCCCCCNC(=O)N(CCCCCC)C(=O)c1cc(=O)c2ccccc2o1 169315156 NXMXRVGTKQYYKR-UHFFFAOYSA-N 400.519 5.105 0 1 HKAF Clc1ccc(C2=CCN(C3=Nc4ccccc4N=C(c4ccccc4)C3)CC2)cc1 169324569 ZYOAIUNEEJGKAM-UHFFFAOYSA-N 411.936 6.684 0 1 HKAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1ncnn1C(C)(C)C 169729631 KJGWTMXMUFOAHU-DLBZAZTESA-N 403.317 5.016 0 1 HKAF CCCCCn1cc(C(=O)c2ccc(C(=O)OCC)c3ccccc23)c2ccccc21 206799491 SDSNYHRYQFAEOW-UHFFFAOYSA-N 413.517 6.392 0 1 HKAF C/C=C(/C)C(=O)O[C@H]1C[C@@](C)(C(=O)O)[C@@H]2CC=C(C)[C@H](CCc3ccoc3)[C@@]2(C)C1 238738001 XTFVHRXNAYKKTD-GJLRVLBKSA-N 414.542 5.564 0 1 HKAF COc1ccc(-c2cccc([C@@H]3[C@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)c2)cc1 253986336 DBKAWFFTGBWKDF-QQJNOOCOSA-N 423.556 6.418 0 1 HKAF N=C1S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1c1ccc(Cl)cc1 299863591 LDVVBKNQPKNVDR-RFWMZAAKSA-N 420.921 5.975 0 1 HKAF CC(C)COc1cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1Br 586884778 IVIAGOKOPYFESZ-KSFYIVLOSA-N 411.343 5.732 0 1 HKAF Cc1oc2c(c1-c1nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]1)C(=O)CCC2 586902372 AOPLKZDUBWSBGM-UHFFFAOYSA-N 402.294 5.688 0 1 HKAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(F)c(C)c4[nH]3)c(=O)oc2c1C 586918646 PWMRPFOLADYMEG-UHFFFAOYSA-N 420.484 5.669 0 1 HKAF Clc1ccc(-c2cc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)ccc2Cl)cc1 587047309 GCAOWKIVHFUSPE-UHFFFAOYSA-N 409.103 6.906 0 1 HKAF C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(N)ccnc2[nH]1 587053175 CGNRJVFSZXICPJ-LLVKDONJSA-N 415.280 5.779 0 1 HKAF COc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1C 587070335 GNJOCBUKVKEDRT-MRXNPFEDSA-N 415.921 5.342 0 1 HKAF OCCc1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587070406 VIBINIQWVLVHML-FXBPSFAMSA-N 402.925 5.925 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587074008 PNKIWZHMHCXLBF-UHFFFAOYSA-N 421.249 7.531 0 1 HKAF Fc1c(Br)ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 587124675 LAUXALWGAUPQFF-BAQGIRSFSA-N 417.225 6.247 0 1 HKAF C[C@@H](c1nc2cc(Cl)c(Cl)nc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128915 FOKFTSUFWYXGDD-VKHMYHEASA-N 416.593 5.599 0 1 HKAF COc1cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2cc1OC 587141150 MLJYTEJHNDQLGW-UHFFFAOYSA-N 412.461 5.818 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc4ncccc4c3[nH]2)c(Cl)c1 587159930 YUICMQURXKPMOZ-JOCHJYFZSA-N 403.844 6.072 0 1 HKAF CC(C)[C@@H](C(=O)c1c(CO)oc2cc(Br)cnc12)c1ccc(Cl)cc1 587275960 HWGBWMJDDRRHDM-MRXNPFEDSA-N 422.706 5.359 0 1 HKAF O=C1c2ccc(O)cc2O[C@](C[C@H]2CCOC2)(c2ccccc2)[C@H]1c1ccc(F)cc1 587358822 QMYQRJXSQLRSEK-IEFSCDDCSA-N 418.464 5.212 0 1 HKAF CCCC[C@@]1(c2ccc(Br)c(C)c2)CC(=O)c2cc(C)cc(N)c2O1 587377681 OXWSMQMLWSDBOA-NRFANRHFSA-N 402.332 5.699 0 1 HKAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1Cl 587541145 DDMDPZUPIVUHBH-IIBYNOLFSA-N 401.245 5.710 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccccc2)cc1 587591902 IDHXILXXWHZQHN-RPLLCQBOSA-N 424.452 5.674 0 1 HKAF CO[C@@H]1C[C@H](c2ccccc2)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587598114 AQBLKVYVYCBATE-PSRHSGHMSA-N 416.473 5.075 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)c3cc(Cl)ccc3Cl)c(C(F)(F)F)[nH]c12 587623976 CQJMJNWRBRRFLU-UHFFFAOYSA-N 406.618 6.686 0 1 HKAF Cc1cc(Cl)cc2c(-c3ccccc3)c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)[nH]c12 587627421 VPUNJXDCBXDKME-SFHVURJKSA-N 424.972 6.911 0 1 HKAF Cc1ccc([C@@H]2C[C@H]2C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587655933 IIDWJWRCZXUCLR-PKOBYXMFSA-N 416.427 5.094 0 1 HKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccnc2cc(Cl)ccc12 587657498 WKQCOCQTEFXHJR-UHFFFAOYSA-N 401.828 5.393 0 1 HKAF Cc1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587678282 KFLQVMAJPITSFD-DYZYQPBXSA-N 413.128 5.283 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccc(Cl)c(Cl)c2)N1 587699871 YCSKNMAXYBCHBH-OXJAYCHESA-N 415.133 6.184 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2cccnc2)N1 587778967 PNLGANAZVHAIGP-YEJXKQKISA-N 413.290 5.399 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2)(C2CC2)N1 587815520 NIINRMHCUHGOCC-ASSNKEHSSA-N 402.307 5.001 0 1 HKAF CC[C@]1(C)C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2O1 587832317 JLTBBVIECRFBMS-OBVPDXSSSA-N 404.323 5.317 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3oc4ccccc4c3c2)N1 587832477 JYEZKVZYPNLZHH-VERVWZFWSA-N 410.286 6.111 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3)s2)N1 587849587 UIBFMYGHDYCTDE-ODXCJYRJSA-N 402.332 5.940 0 1 HKAF Cc1ccc(-c2csc(-c3ccc(Oc4cccc(N(C)C)c4)cc3)n2)cc1C 587921430 XJCDDBUNUTXRTH-UHFFFAOYSA-N 400.547 6.952 0 1 HKAF Oc1cc(-c2ccccc2Cl)c(O)n1CC1CCN(Cc2ccc(F)cc2)CC1 587945508 FUOWCFYRSRRBCR-UHFFFAOYSA-N 414.908 5.271 0 1 HKAF CC1(C)CCC(C)(C)c2cc3c(cc21)O[C@H]1CCCC[C@@]31c1ccc(C(=O)O)cc1 653737580 GNYIFRIYMYLWAP-WNCULLNHSA-N 404.550 6.355 0 1 HKAF COc1ccc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)c2c(OC)cccc12 961617855 XHHNERMYWMEBOS-JOCHJYFZSA-N 424.338 5.387 0 1 HKAF Cc1cc([C@@]2(c3ccccc3F)c3ccsc3CCN2Cc2cccn2C)ccn1 962397615 JVACFZDBWULPQH-RUZDIDTESA-N 417.553 5.279 0 1 HKAF COc1ccc2c(OC)ccc([C@@H]3c4cccc(F)c4CCN3[C@H]3CCSC3)c2c1 962697800 GQJXBFIXCQZSAR-LMKMVOKYSA-N 423.553 5.449 0 1 HKAF Cc1cc(Br)cc(F)c1[C@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962718038 RJNXUQQJMAVCDQ-JLTOFOAXSA-N 424.354 5.489 0 1 HKAF FC(F)(F)c1cc(Cl)c([C@H]2NCCc3cc(Cl)ccc32)c(C(F)(F)F)c1 963389843 DFJCCENELWDYTR-HNNXBMFYSA-N 414.176 6.266 0 1 HKAF Cc1c([C@]2(C)NCCc3cccc(Cl)c32)c2cc(O)ccc2n1-c1ccccc1 963390635 LVNGBVLTPHBTFX-VWLOTQADSA-N 402.925 5.707 0 1 HKAF O=C(Nc1ccc(F)cc1)c1ccc2c(ccn2Cc2ccc(-c3ccccc3)cc2)c1 1857605376 ARMFUZQCBARNNH-UHFFFAOYSA-N 420.487 6.748 0 1 HKAF CC(=O)Oc1c(C(C)C)cc2c(c1OC(C)=O)[C@@]13CCCC(C)(C)[C@@H]1C[C@H]2OC3 2356337882 GINOEDXLNMHUDV-YDIMBITNSA-N 400.515 5.200 0 1 HKAF COc1c(O)cc(O)cc1CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C 2356468587 IYYFMQHGUZBMKD-UHFFFAOYSA-N 412.614 7.795 0 1 HKAF CC(=CCCc1cocc1Cc1ccoc1)CCC[C@H](C)C=C1OC(=O)C(C)=C1O 2356669815 NVFQZZXKGDYENB-SFHVURJKSA-N 410.510 6.421 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)C[C@H](C)[C@@H]4[C@@H]3CC[C@]12C)C(C)C 2356681977 LAGFCVRVICMFFF-HZPICLRDSA-N 414.718 8.169 0 1 HKAF CCCC=C1OC(=O)c2c(Oc3c(O)cc(O)cc3CCCCC)cc(OC)cc21 2356746004 MBZRGKPODSCTEK-UHFFFAOYSA-N 412.482 5.943 0 1 HKAF COc1cc(=C2C=CC=N2)[nH]c1=Cc1[nH]c2cc1[C@@H](CC(C)C)CCCCCCCC2 2356777869 FZOGNJSRIPZZCX-HXUWFJFHSA-N 419.613 5.346 0 1 HKAF c1ccc(-c2sc3ccccc3c2-c2ccc(OCCN3CCCCC3)cc2)cc1 61947956 OWAHHZYRRFTQCZ-UHFFFAOYSA-N 413.586 7.100 0 3 HKAF COc1cc(OC)cc(-c2cc3c(Nc4ccc(OC)cc4OC)nccc3n2C)c1 82083607 VUNPGIUVHULLPF-UHFFFAOYSA-N 419.481 5.018 0 3 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5oc(C(=O)C(F)(F)F)cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 13651828 BHPRNKARHZGVNR-YOMSBLTCSA-N 410.476 5.343 0 1 HKAF COc1c(C(C)=O)c(O)c(OCc2ccc(C(=O)c3ccccc3)cc2)c2occc12 13682380 JBJNIBVKNXGFJK-UHFFFAOYSA-N 416.429 5.160 0 1 HKAF CC(C)c1cc(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 13861026 QNMWKGJIZRTANI-FGZHOGPDSA-N 421.512 5.541 0 1 HKAF CN(C)C(=O)Cc1cn(-c2ccc(Cl)cc2)nc1-c1ccc(Cl)c(Cl)c1 26579439 WQANBYKQJNCPHU-UHFFFAOYSA-N 408.716 5.130 0 1 HKAF O=C1C[C@H](c2c(Cl)cccc2Cl)Cc2c1c(=O)c1cc(Cl)ccc1n2O 27082694 NHYCPUYGGDWNOJ-SECBINFHSA-N 408.668 5.112 0 1 HKAF CCCCCCn1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c2ccccc21 28468788 PBLJHFUFFQFYHS-UHFFFAOYSA-N 417.597 5.700 0 1 HKAF CC(C)c1cc(-c2cccc(C[C@H](c3ccncc3)C(C)(C)O)c2)c2ncccc2c1 28529811 AGNPWVFAZVESPJ-AREMUKBSSA-N 410.561 6.517 0 1 HKAF CC[C@@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4cccc(F)c4)oc3C)ccc21 28566082 WSMJRBPQAUXIIE-IRLDBZIGSA-N 423.484 5.551 0 1 HKAF CC(C)C[C@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 28823208 JMFPNAQZNGBMQY-AWEZNQCLSA-N 416.370 5.116 0 1 HKAF Cc1oc(-c2ccc(C(C)C)cc2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)O 28951945 ZVKCGJDKSRZKNP-NRFANRHFSA-N 419.521 5.899 0 1 HKAF O=C(c1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1)N1CCCc2ccccc21 29126616 NPJAGAQZUNNOGG-YKSBVNFPSA-N 402.538 5.074 0 1 HKAF CCN(CC)CCOc1ccc([C@H](c2ccc(SC)cc2)c2cccs2)cc1 29130623 NQEHVQHWIQYOFW-XMMPIXPASA-N 411.636 6.371 0 1 HKAF CCS[C@H]1Nc2cc(F)ccc2N1c1ccc(OCCCN2CCCCC2)cc1 40430645 LVWQLKMKLVGJBM-QHCPKHFHSA-N 415.578 5.681 0 1 HKAF c1ccc(COC[C@H]2OCC[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1 40567209 QKDSGZPRIZSYRL-PFBJBMPXSA-N 418.533 5.163 0 1 HKAF CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 40950760 ZMYWGDOERFHVLQ-NHEACCKJSA-N 416.646 5.250 0 1 HKAF c1ccc(Oc2cccc(CN3CCc4nc(N5CCCCC5)sc4C3)c2)cc1 45370221 HIHPRDMULSWZDN-UHFFFAOYSA-N 405.567 5.484 0 1 HKAF COc1ccccc1-n1cc(COC/C=C(\C)CC/C=C(\C)CCC=C(C)C)nn1 66102254 QLOFDCAZESCLHG-PMPJFHHKSA-N 409.574 6.212 0 1 HKAF CN(C)c1cccc([C@H](O)c2nnc(Nc3cccc(Oc4ccccc4)c3)s2)c1 82078379 GZAYKXOSCSVUGD-NRFANRHFSA-N 418.522 5.222 0 1 HKAF Cc1cccc(-c2nc(NCc3cccc(Cl)c3)ncc2C(=O)N(C)CC(C)C)c1 82145184 OZBISSDDDDZFMN-UHFFFAOYSA-N 422.960 5.446 0 1 HKAF CC(C)CN(C)c1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2)n1 82162590 NVNUBURROOJXTD-UHFFFAOYSA-N 400.551 6.026 0 1 HKAF O=C(Nc1cccc(Cl)c1)Nc1cccnc1Oc1cccc(C(F)(F)F)c1 95592393 LROLQYAJPRQNFX-UHFFFAOYSA-N 407.779 6.190 0 1 HKAF C[C@@]1(c2cc(Cl)cc(CC(=O)c3cc4ccccc4s3)c2)CCSC(N)=N1 96174344 SJQKPHVDMVONOX-NRFANRHFSA-N 414.983 5.647 0 1 HKAF NC1(c2ccc(-c3nc4cc(-c5cn[nH]c5)ccn4c3-c3ccccc3)cc2)CCC1 113656196 HPQFDZVVQQRZHS-UHFFFAOYSA-N 405.505 5.396 0 1 HKAF Cc1cccc(C)c1COC(=O)Cc1cccc(SCc2ccccc2C(=O)O)c1 114961063 MKCVTNDFNUUJRE-UHFFFAOYSA-N 420.530 5.580 0 1 HKAF C[C@]12CC[C@@H]3[C@]45CCC[C@@](C)([C@@H](O)OC4)[C@@H]5CC[C@@]3(C)[C@@H]1Cc1cc(O)ccc1O2 136176464 CZBILTFRGJCVGE-BGLMPXDFSA-N 412.570 5.054 0 1 HKAF CCCC(=O)Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1 149246965 JOXWAZDKHSRRMS-UHFFFAOYSA-N 422.492 5.655 0 1 HKAF CN(C)C12CCN(Cc3ccccc3)C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 169300040 DJKNYMFRKAULGK-GMJLJOIUSA-N 410.605 5.923 0 1 HKAF C[C@H](c1ccccc1)c1nnc(-c2sc3ccccc3c2OC2CCNCC2)o1 169307413 JMFPGLKOJFIXHJ-OAHLLOKOSA-N 405.523 5.234 0 1 HKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)OCCc1ccsc1 169367979 CHYTYNWDGNFICV-MLFLMRJSSA-N 414.655 7.980 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(OCCF)c2)cc(-c2ccc3ncsc3c2)n1 221280840 FMNHBLNRQXKTCV-AWEZNQCLSA-N 408.502 5.583 0 1 HKAF CCC/C=C1\OC(=O)c2c(Oc3c(O)cc(O)cc3CCCCC)cc(OC)cc21 238779394 MBZRGKPODSCTEK-JMIUGGIZSA-N 412.482 5.943 0 1 HKAF CC/C(=C\C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 255278029 WSQWPVHORPUSOR-IVEDDFPSSA-N 414.718 8.025 0 1 HKAF Oc1ccc2cc1Oc1ccc(cc1)C=Cc1cccc(O)c1Oc1cccc(c1)CC2 299806607 CXOXZTLVFGJSBL-UHFFFAOYSA-N 422.480 6.951 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4cc(-c5nc6ccccc6s5)ccc4[nH]3)cc2)o1 586905469 QAGJBOXIUMDYSB-UHFFFAOYSA-N 407.498 7.075 0 1 HKAF N[C@H](Cc1cccc(Br)c1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 586984239 OUVOMLGSIFAEBF-LJQANCHMSA-N 422.326 5.147 0 1 HKAF Cc1cc2c(Br)ccc(-c3nc4cncc(Br)c4[nH]3)c2o1 587003192 HCPKQWZQPDWSTN-UHFFFAOYSA-N 407.065 5.205 0 1 HKAF Clc1cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2cc1Cl 587016958 FYMUKSDLBPYUPE-UHFFFAOYSA-N 412.305 6.285 0 1 HKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(Br)cc(Cl)c2[nH]1 587061093 AGSDBQBVCCISCG-ZDUSSCGKSA-N 400.103 6.162 0 1 HKAF Cc1nn(-c2cccc(-c3nc4cc(F)cc(Br)c4[nH]3)c2)c(C)c1Cl 587065842 ZFKTZPKUWJXBDF-UHFFFAOYSA-N 419.685 5.587 0 1 HKAF Clc1ccc(-c2ccc(-c3nc4ncc(Br)c(Cl)c4[nH]3)cc2)nn1 587084660 FORFCWVMJHPMNI-UHFFFAOYSA-N 421.085 5.151 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(-c5ccc(C=O)o5)cc4)nc13)-c1ccccc1C2=O 587101257 LMUKKLDUSJLJKB-UHFFFAOYSA-N 415.448 6.494 0 1 HKAF Fc1cc(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1-c1ccccc1 587145171 GLLSTKSFMHGKQL-UHFFFAOYSA-N 406.770 5.374 0 1 HKAF CCCCCOc1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c2cc1Br 587161594 OPEGLUMWFWYLMM-JKSUJKDBSA-N 417.322 6.305 0 1 HKAF COc1cccc(-c2cc(CC(=O)c3ccccc3F)nc3c2oc2ccccc23)c1 587360568 OJJMIQWEBZGJCC-UHFFFAOYSA-N 411.432 6.221 0 1 HKAF CCN(CC)c1ccc([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587387208 OIMVYLYYHSTFDV-AREMUKBSSA-N 400.522 5.332 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4c(F)cccc4Cl)cc1)[C@@H](C2)C3=O 587424685 SECZUHVVZBKUCR-BXKMTCNYSA-N 424.855 5.555 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(CCc1c(C)nc3ccccc3c1Cl)CC2=O 587462111 PIBMZDQZJQWAMF-RUZDIDTESA-N 423.940 6.211 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(CC(=O)O)cc3)cc1)CC2=O 587479828 CRMPIDCHHOIAQP-DEOSSOPVSA-N 416.473 5.345 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1ccccc1C(=O)O)CC2=O 587489630 OOJHBQYWYOOXIE-AREMUKBSSA-N 416.473 5.260 0 1 HKAF O=C1C[C@@H](c2cc(Cl)cc(OCc3ccccc3)c2)Oc2c1ccc1c2CCCC1 587502348 QTAVERRANZFUMS-VWLOTQADSA-N 418.920 6.504 0 1 HKAF O=C1C[C@](c2ccccc2)(c2ccc3cc(O)ccc3c2)Oc2c1ccc1c2CCCC1 587533228 OZTOBVXBBPDSDN-LJAQVGFWSA-N 420.508 6.333 0 1 HKAF COc1cc(C)c(Cl)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542961 KGPBMYBNIWMESO-AUSIDOKSSA-N 410.853 5.374 0 1 HKAF COc1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543567 KYNXSFBTLRADSL-UTKZUKDTSA-N 417.244 5.411 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)c2cccnc12 587552844 SVNKWMARRDAXAG-CVDCTZTESA-N 403.821 5.297 0 1 HKAF Cc1cccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 587600319 ANDDXLBLDCFMKR-SHQCIBLASA-N 408.453 6.071 0 1 HKAF COc1ccccc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1NC(C)C 587625454 ICFDDCBAIILNPL-UHFFFAOYSA-N 416.365 6.701 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccccc2Cl)N1 587700703 VVVSTMZFRNDTHX-FKIZINRSSA-N 419.725 5.656 0 1 HKAF Cc1ccc2nc(Cl)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587707770 WZGHGUAUQITGGU-JEOXALJRSA-N 419.725 5.722 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccccc2C(F)(F)F)N1 587710966 IEKCFOVVXLYFTN-ADLMAVQZSA-N 416.256 5.599 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(F)cc3)s2)N1 587737072 WBTDWXXWDIRUMM-YBTHPKLGSA-N 420.322 6.079 0 1 HKAF Cc1ccc(C)c([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587740750 KNCDCYIDTMMTMM-ZEHWCEESSA-N 417.366 5.058 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3ccncc3)c2)N1 587780140 YTJUCLQUSLKIIM-JLCFBVMHSA-N 411.318 5.448 0 1 HKAF C[C@H](OC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1 587788903 ATYZFFKKKJHVCJ-HKZYLEAXSA-N 420.322 5.032 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC1CC1 587806496 JKYPAOJFQFMEAK-YEJXKQKISA-N 404.323 5.309 0 1 HKAF Cc1cccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587815990 SEJWYCLOMKNPTB-WAIKUNEKSA-N 410.330 5.723 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(=O)C3CCCC3)c2)N1 587818790 JVZVUKCPFQMPNB-ZSEKCTLFSA-N 416.334 5.585 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H](c3ccccc3)C2)N1 587819693 WRKNRPHKZFREKZ-ZWWNWMABSA-N 402.351 6.066 0 1 HKAF COc1ccc(OC(C)(C)C)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 587944668 FTCCHZJAZAKOAE-UHFFFAOYSA-N 407.489 5.259 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cc2ccc(Br)cc2s1 963233287 SYJSQTSZKHRKOK-QKKBWIMNSA-N 400.385 6.410 0 1 HKAF CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356330172 HAUSGVBENZHLGK-FIDXZMPXSA-N 412.746 9.300 0 1 HKAF CC1(C)C(=O)CC[C@]2(C)C3=CC[C@]4(C)[C@@H]5CCCC(C)(C)[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@@H]12 2356448938 VNCZGYRTXJCYPQ-MQCKPYFTSA-N 424.713 8.377 0 1 HKAF CC(=O)CCCC(C)(C)C(=O)CCC(C)=CCCC(C)=CCCC1=CC(=O)O[C@@H]1O 2356502037 VJORARHIZPYLAR-DEOSSOPVSA-N 418.574 5.376 0 1 HKAF Cc1cccc(-c2nc(CN3CCC[C@@H](C(=O)NC4CCCCCC4)C3)c(C)o2)c1 4101856 OZPGNDYAYQWBDW-OAQYLSRUSA-N 409.574 5.009 0 3 HKAF Fc1ccc(-[n+]2nc(Nc3ccccc3)sc2-c2c(Cl)cccc2Cl)cc1 15936829 AOWCVNIUGQWMGC-UHFFFAOYSA-N 417.316 6.276 0 3 HKAF C[C@H](C(=O)Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12)c1ccccc1 1622246 KSCUIWLQYJARAZ-IBGZPJMESA-N 418.492 7.075 0 1 HKAF FC(F)(F)C(=S)N[C@H]1CCCN2c3cc(Cl)ccc3Oc3ccccc3[C@H]12 3818364 YVBHMLCAFDNLEA-SUMWQHHRSA-N 412.864 5.635 0 1 HKAF CCN(CC)C(=O)OC1=C(c2cc(F)cc(F)c2)Oc2ccccc2-n2cccc21 13491318 XDRUQYFWOPHNQC-UHFFFAOYSA-N 410.420 5.452 0 1 HKAF CC(C)(Cc1ccccc1)[C@H]1OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c2cccnc2)O1 13740492 XYUJBPXTBCBGMX-UKFSQXPZSA-N 409.526 5.192 0 1 HKAF CCN(CC)CC/N=c1\ccn(Cc2ccccc2Cl)c2cc(Cl)ccc12 13741405 JMXHPZMYVMZULW-NJNXFGOHSA-N 402.369 5.239 0 1 HKAF CSc1cc2c(cc1C(F)(F)C(F)(F)F)N(C(=O)Nc1cccnc1)CC2 13779461 CGYUZGMBQZEWFR-UHFFFAOYSA-N 403.376 5.052 0 1 HKAF CC(C)=CCc1c(O)ccc2c1O[C@H](c1cc3c(cc1O)OC(C)(C)C=C3)CC2=O 15205984 RDDQFBMFMJPBSC-QHCPKHFHSA-N 406.478 5.497 0 1 HKAF biogenic Cc1cc(CCCOc2c(C)cc(-c3ccc(Br)cc3)cc2C)on1 28711024 ZUDCDBGGAIFWKP-UHFFFAOYSA-N 400.316 6.041 0 1 HKAF CCOP(=O)(OCC)C(CCCc1ccccc1)P(=O)(OCC)OCC 34323484 YDQDTNCOLCPTEX-UHFFFAOYSA-N 406.396 5.868 0 1 HKAF C[C@H](CNCCCC(=O)O)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 36184539 JVCKCYKRSUUGRH-HFAVLIHYSA-N 417.634 5.017 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C)C[C@@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 36189504 DHZJVHCWDITFSE-BCFLJKSUSA-N 401.679 6.832 0 1 HKAF O=C(C1CCN([C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)N1CC=CC1 45187827 DMZIVAAPUKWFTJ-JOCHJYFZSA-N 415.364 5.193 0 1 HKAF CC(C)CCN1CCC(Oc2ccc(NC(=O)c3ccc(F)cc3)cc2Cl)CC1 45323736 HLOMHUSSJLAEBG-UHFFFAOYSA-N 418.940 5.621 0 1 HKAF O=C(O)CCC[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 49013743 YTDWKPSJWUXUKF-JOCHJYFZSA-N 400.906 5.161 0 1 HKAF CCc1cnc(-c2cnc(NCCc3ccc(C)cc3)nc2-c2cccc(C)c2)s1 82173980 SKMHBKCJYJDUSS-UHFFFAOYSA-N 414.578 6.101 0 1 HKAF Cc1ccccc1-c1nc(N2CCCCC2)ncc1-c1ncc(-c2ccccc2)s1 82177430 VHPULWCDMIPSLR-UHFFFAOYSA-N 412.562 6.233 0 1 HKAF CC[C@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCc3ccccc3C)ncnc21 82180122 UVOQAQWKFUZGBR-KRWDZBQOSA-N 415.541 5.469 0 1 HKAF O=C(Cc1ccc(F)cc1)N1CCc2sccc2[C@@H]1c1ccc(C(F)(F)F)cc1 84653757 YUWGYSIVEABLIX-NRFANRHFSA-N 419.443 5.623 0 1 HKAF O=C(CCCCN1CCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1 84714700 USGLWFZAXHASGB-UHFFFAOYSA-N 413.974 5.125 0 1 HKAF Cc1ccc([C@H]2N(C)c3ccccc3C(=O)N2c2ccccc2OC(F)(F)F)s1 95581405 JXJMVVWVVXYWHA-IBGZPJMESA-N 418.440 5.751 0 1 HKAF O=C1C[C@H](c2ccccc2)C(=O)N[C@@H](c2ccccc2)C/C=C\C[C@H](c2ccccc2)N1 95662079 GPBYDCUKLUJVJM-CUFVRUHTSA-N 424.544 5.225 0 1 HKAF COc1ccc(-c2[nH]nc3c2[C@@H](c2cccs2)C2=C(O)CC(C)(C)CC2=N3)cc1 103531384 QNWLYPHLCOKZQY-IBGZPJMESA-N 405.523 5.997 0 1 HKAF O=C1CCc2ccc(OCCCCCCN3CCC(Cc4ccccc4)CC3)cc2N1 144463996 YUSRYUVUQZAREX-UHFFFAOYSA-N 420.597 5.465 0 1 HKAF c1cc(-c2cc3c(cn2)[nH]c2ncc(-c4ccc(CN5CCCCC5)cc4)cc23)ccn1 200097706 IANXMZMJBKUVLQ-UHFFFAOYSA-N 419.532 5.826 0 1 HKAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2[C@H](OC(=O)/C(C)=C\C)CC[C@H](C)[C@@]12C 238744883 MZACYIUHAUITMT-MEEYVDGRSA-N 414.542 5.625 0 1 HKAF CC1=CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@@H]1C 238752679 ATTZDMRZTNQQNJ-PLFSCLRPSA-N 424.713 7.945 0 1 HKAF CC(C)[C@@H]1CC[C@@H]2[C@@]1(C)CC[C@@]1(C)[C@H]3CCC(=O)[C@H](CCC(=O)O)[C@@]3(C)CC[C@]21C 255225189 KZASYHCOTWMXPE-FPBFVKGXSA-N 416.646 6.742 0 1 HKAF COc1ccccc1[C@@H]1S[C@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccc(O)cc1 299811633 LPUQWNJVLYEPBX-XJUOHMSHSA-N 422.481 5.246 0 1 HKAF CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc(C(=O)O)cc2)[nH]c2ccccc12 473081814 FDZAUHPZQBPOQR-UHFFFAOYSA-N 420.509 5.145 0 1 HKAF O=c1cc(COc2ccccc2)n(C2CC2)cc1Oc1c(Cl)cccc1Cl 473112336 CPAANCRWIMIPNU-UHFFFAOYSA-N 402.277 5.861 0 1 HKAF Cc1cccc(-c2ccccc2)c1-c1nc2cccc(I)c2[nH]1 586879600 USNOXPUMRRUBHY-UHFFFAOYSA-N 410.258 5.810 0 1 HKAF CCOc1cc(/C=C\c2nc3cccc(Cl)c3[nH]2)cc(Br)c1OC 586978145 MGUORAWBWMXFHD-FPLPWBNLSA-N 407.695 5.557 0 1 HKAF CCOc1cc(/C=C\c2nc3cc(F)c(F)cc3[nH]2)cc(Br)c1OC 586978403 QXIZGVJKQIFFGU-PLNGDYQASA-N 409.230 5.181 0 1 HKAF Cc1c(-c2cc(F)cc(C(F)(F)F)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586992521 GQGVSOMQTYFMPX-UHFFFAOYSA-N 421.393 6.888 0 1 HKAF FC(F)(F)c1nc(Cl)[nH]c2nc(Cc3ccc(-c4ccccc4Cl)cc3)nc1-2 587063130 PVICSKFJIHAGDT-UHFFFAOYSA-N 423.225 5.888 0 1 HKAF CNc1cc(Cl)ccc1-c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 587067412 YTSVVTUJINUZRZ-UHFFFAOYSA-N 424.863 5.594 0 1 HKAF CC(C)(C)c1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2n1 587073616 MHLLCYYBCDBPMN-JZJYNLBNSA-N 415.968 7.082 0 1 HKAF Fc1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc2cc1Cl 587083025 ZGONVTATMZOFFH-UHFFFAOYSA-N 408.263 6.891 0 1 HKAF C[C@@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1ccccc1C(F)(F)F 587098731 UEZSXFCNCWIKCZ-SECBINFHSA-N 422.350 5.027 0 1 HKAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 587163853 VDCIJQLEHRRYMW-UHFFFAOYSA-N 400.331 5.499 0 1 HKAF Brc1ccc(COc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)cc1 587207229 DHWMRNDIZJTECQ-UHFFFAOYSA-N 416.318 6.342 0 1 HKAF C[C@]1([C@@H]2C[C@@H]2c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331569 HYRRRWWQPVSKJS-AFFJLAOCSA-N 406.428 5.592 0 1 HKAF C[C@]1(c2cc(Cl)cnc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336688 ZFVJLCBBCAZSIX-GHTZIAJQSA-N 418.251 5.507 0 1 HKAF CC(C)(C)[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339249 YIXLMZSUPQUDJA-WIOPSUGQSA-N 408.444 5.971 0 1 HKAF COC(=O)c1ccc(-c2ccccc2[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1F 587384105 AIJFAFNERVHSCD-RUZDIDTESA-N 419.452 5.051 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2ccc(C(C)(C)C)cc21 587407802 LBKBLKJPHMOGGZ-MHZLTWQESA-N 411.501 5.328 0 1 HKAF COc1cc2c3c(c1)O[C@](c1cc(C)ccc1O)(c1ccccc1Cl)[C@@H](C2)C3=O 587418041 GRVBMCUAOCNYJG-UUOWRZLLSA-N 406.865 5.054 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(-c3ccc(C)cc3)c1Cl)CC2=O 587462750 SFQGMCDWLASFHY-FQEVSTJZSA-N 410.901 5.507 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CSc1ccccc1)(c1ccc(F)cc1)CC2=O 587467141 ODXHAGSRYABZGP-RUZDIDTESA-N 422.521 6.137 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cccs1)(c1ccccc1C(=O)O)CC2=O 587496429 XJVRIVWQUBMSLZ-QHCPKHFHSA-N 408.475 5.013 0 1 HKAF O=C1C[C@@]2(CCCc3ccc(Oc4ccccc4)cc32)Oc2c1ccc1c2CCCC1 587525928 UBDAMVUMSUMZGA-MUUNZHRXSA-N 410.513 6.555 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc(Cl)c1O 587549018 YPLXKBGJLUQIGO-OXJNMPFZSA-N 403.217 5.108 0 1 HKAF Cc1cc(OC(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587554731 JBEAEIQYXBVTKZ-UGKGYDQZSA-N 412.388 5.313 0 1 HKAF COc1cc(-c2ccccc2)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599687 HJMLWKXGBNDIRG-SQHAQQRYSA-N 424.452 5.771 0 1 HKAF CC(C)Sc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587609040 UKXYXKBCRGNBCK-URXFXBBRSA-N 406.503 5.770 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2ccc(Cl)cc2)N1 587704069 RRKSRVOTQXWXQI-NSPYISDASA-N 410.714 5.264 0 1 HKAF CC(C)CCOc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587794661 PIQIYXALLKUZTA-IVZQSRNASA-N 420.366 5.811 0 1 HKAF Cc1ccc([C@@]2(c3ccco3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587830342 SPKSSUGAYKIDSR-QKKBWIMNSA-N 400.291 5.316 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3O)cc2)N1 587833375 NFGRKHOTZTXSID-WHEQGISXSA-N 412.302 5.584 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](c3ccccc3)OC2(C)C)N1 587835368 WANPXYPODJQUOJ-WHIIXXIBSA-N 404.323 5.258 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccsc3)s2)N1 587844557 BTSGDATXHGWYRX-XTZNXHDOSA-N 408.361 6.002 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C)nc2cc(Cl)ccc12 587868621 PZTAJXHWVVKKQA-UHFFFAOYSA-N 418.806 5.472 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c2C)c(OC)c1 587928582 FALTWPJLIFRSJU-UHFFFAOYSA-N 414.839 6.154 0 1 HKAF COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cnccc4[nH]3)CCCC(C)(C)[C@@H]1CC2 587932058 JYGLIVNTWPLABO-RXFWQSSRSA-N 419.569 5.854 0 1 HKAF CCCCc1ccc(-n2c(O)cc(-c3ccccc3C)c2O)c(Br)c1 587935172 CFZWQLGXEBGZLC-UHFFFAOYSA-N 400.316 5.969 0 1 HKAF CC(C)CCCCCCCCCCCCCCCCCc1nc2ncc[nH]c-2n1 587957199 IAVYNKDTKSMCJR-UHFFFAOYSA-N 400.655 7.745 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCCc3ccc(Oc4ccccc4)cc32)N1 962938947 AUEHPYZNBHQUAK-MMTVBGGISA-N 408.545 6.464 0 1 HKAF COc1cccc2cc3c(nc12)[C@@]1(CC(=O)C[C@@H](c2ccc(C(C)C)cc2)C1)NCC3 963061400 BTJRKRMHHLMJTB-AJTFRIOCSA-N 414.549 5.245 0 1 HKAF COc1cc(Br)cc(OC)c1[C@@H]1NCCc2c(Cl)cc(Cl)cc21 963103786 GPEJYACQKZJLRI-QGZVFWFLSA-N 417.130 5.008 0 1 HKAF Cc1cc(Cl)ccc1[C@@]1(C)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963185628 RUOJUCRGRMXPLA-FUHWJXTLSA-N 418.242 5.183 0 1 HKAF COc1ccc2c(c1)[C@](Cn1cccn1)(C(C)(C)C)N(Cc1ccc(F)cc1)CC2 963303573 QFPIXATWCJGUNA-RUZDIDTESA-N 407.533 5.031 0 1 HKAF Clc1ccc2c(c1)CCN[C@]21CCCc2c1[nH]c1ccc(Br)cc21 963381175 RBAURKLLYJPIDK-HXUWFJFHSA-N 401.735 5.309 0 1 HKAF Oc1cc([C@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc2occc12 963833300 UNLIMYKVSBRRHY-RUZDIDTESA-N 410.473 5.434 0 1 HKAF CC1(N)CCN(c2nc(-c3ccc4cc(Br)ccc4c3)cs2)CC1 1772604143 IJQCDAAODIMGGK-UHFFFAOYSA-N 402.361 5.043 0 1 HKAF COc1cccc(C(=O)[C@@H](CCC2CCN(Cc3cccc(C)c3)CC2)C(C)=O)c1 1772632081 ZRZYDOAAVXNOAX-VWLOTQADSA-N 407.554 5.084 0 1 HKAF COc1cc(C(F)(F)F)ccc1-c1cccc([C@H](CC(=O)O)c2nccs2)c1 1772645582 TXNSQMCMCSBKQY-INIZCTEOSA-N 407.413 5.444 0 1 HKAF C[C@H](NC(=O)C1CC1)c1ccc(CN2Cc3ccc(OCC4CC4)cc3[C@H](F)C2)cc1 1772653611 ZCCCBWVCVMGKAB-SSOJOUAXSA-N 422.544 5.089 0 1 HKAF Cn1c(-c2ccccc2)c(/C=C/C(=O)Nc2nc3ccccc3s2)c2cccnc21 1911574871 FMXUMAZAEVQKPV-BUHFOSPRSA-N 410.502 5.502 0 1 HKAF Brc1ccc(Nn2c(-c3ccccc3)nc3c2[C@H]2C=CC=C[C@H]2C=N3)cc1 1324025 RBIAMFBUQSNWDH-LPHOPBHVSA-N 417.310 5.730 0 1 HKAF CC(C)CCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)cc1F 2480362 YCVYJHJBGMFLEM-UHFFFAOYSA-N 404.844 5.716 0 1 HKAF COc1cccc(OC)c1[C@H]1ON=C(c2ccccc2)N1C12CC3CC(CC(C3)C1)C2 6006563 JNKXQNREVLZZMV-UCYJUSSHSA-N 418.537 5.365 0 1 HKAF C[C@@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H](c3cc(C(F)(F)F)[nH]n3)CC[C@H]12 8681652 VDGOOKRFIJJCSX-JGMYJUFCSA-N 410.524 5.916 0 1 HKAF COc1cc2c(cc1OC)CN(CC[C@@H](Oc1ccccc1F)c1ccccc1)CC2 13530634 RZTIEZPCWCTIEF-HSZRJFAPSA-N 421.512 5.411 0 1 HKAF CCCCCC(=O)OC[C@@]1(CO)CC/C(=C\CC(CC(C)C)CC(C)C)C(=O)O1 13684070 SOHYAFLNBBMJIR-ZSOQTWPFSA-N 410.595 5.203 0 1 HKAF Clc1sccc1CO[C@@H]1c2ccc3ccccc3c2S[C@@H]1Cn1ccnc1 13775775 DRBJSGVHCYDQDM-RTBURBONSA-N 412.967 6.184 0 1 HKAF Oc1ccc2cc1Oc1ccc(cc1)CCc1cccc(O)c1Oc1cccc(c1)CC2 14586995 BLRFPCOIKKIKNC-UHFFFAOYSA-N 424.496 6.566 0 1 HKAF biogenic COc1c(CC=C(C)C)c(O)c2c(c1CC=C(C)C)O[C@@H](c1ccc(O)cc1)CC2=O 14780818 LZMKMDHLCFLWBH-JOCHJYFZSA-N 422.521 5.830 0 1 HKAF biogenic CC(C)(NC(=S)Nc1ccc(NC(=O)c2ccccc2F)cc1)c1ccccc1 28379722 UEGYOFFNGADXPX-UHFFFAOYSA-N 407.514 5.300 0 1 HKAF O=C(Nc1cccc(C(F)(F)F)c1)NC1CCN(CC2=CCCCCCC2)CC1 28708483 KSRDSJBCRMDPJU-UHFFFAOYSA-N 409.496 5.572 0 1 HKAF COP(=O)(OC)O[C@H](c1ccc(-c2ccccc2)cc1)P(=O)(OC)OC 29223244 ULMJJYVHZOVITL-KRWDZBQOSA-N 400.304 5.256 0 1 HKAF O=C(NC[C@H]1CCN(CC2CCCCC2)C1)c1cc(-c2cccc(Cl)c2)cs1 45194179 WQUBXENWNLFFOL-GOSISDBHSA-N 417.018 5.701 0 1 HKAF CCCCNc1nc(NCc2ccccc2)c(C(=O)O)c(SCc2ccccc2)n1 53299018 UCZCXHRURVAXFV-UHFFFAOYSA-N 422.554 5.291 0 1 HKAF C[C@@H](Cc1nnc(NC(=O)COc2ccc(Cl)cc2Cl)o1)CC(C)(C)C 66156264 JAVBSQZHTPTXJH-NSHDSACASA-N 400.306 5.009 0 1 HKAF O=C1C(C2=Nc3ccccc3N[C@@H](c3ccc(Cl)cc3)C2)=C(O)c2ccccc21 68583047 CHOGILVWZDRGED-HXUWFJFHSA-N 400.865 6.135 0 1 HKAF biogenic COc1ccc2cc(Nc3ccc([C@H](n4ccnc4)C(C)(C)CO)cc3)ccc2c1 72116957 JTSQVNPRXLAENY-DEOSSOPVSA-N 401.510 5.396 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H](C/C=C3/C[C@@H](O)CCC3(C)C)CCC[C@@]21C 100059659 ZGGYLFXNQDDBEC-LNIDIDFMSA-N 418.706 7.284 0 1 HKAF in-vitro CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2ccccc2c1)c1ccccc1 114595711 VHRBUARRJOLIOX-DVEXWFSMSA-N 404.509 7.307 0 1 HKAF C[C@H]1C[C@H](CNc2ccccc2)CC[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1Cl 169709966 MAFXSFPELKMUMP-BXTJHSDWSA-N 424.894 6.006 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc(F)c(Cl)c2)n1 205846584 IVHVKIKRWWVHOT-AWEZNQCLSA-N 421.907 5.818 0 1 HKAF Cc1cnc(NCC2CCCCC2)nc1N[C@H](CC(C)C)C(=O)Nc1ccccc1 206774759 MVFWQVCRFYSMHP-OAQYLSRUSA-N 409.578 5.243 0 1 HKAF CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 255222152 JZVFJDZBLUFKCA-ULSPPMQKSA-N 412.702 7.801 0 1 HKAF CS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@H]2c2ccc3ccccc3c2)cc1 299840855 ZPPWPZZIZWEACX-IBGZPJMESA-N 418.440 5.113 0 1 HKAF CCOC(=O)c1sc(Nc2ccc(-c3ccccc3)cc2F)nc1-c1ccccc1 299859999 GFZSZEVHNLIZIL-UHFFFAOYSA-N 418.493 6.537 0 1 HKAF CC[C@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 586893852 YYNFXLMEVQJIIR-HNAYVOBHSA-N 423.460 5.286 0 1 HKAF Cc1nc(COc2cccc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2)cs1 587020759 XSDOQYQSQRCLSY-UHFFFAOYSA-N 405.401 5.472 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5cc(Cl)ncc5[nH]4)c23)cc1 587037532 FYZVTZPVFGHIOS-UHFFFAOYSA-N 423.954 5.884 0 1 HKAF CSc1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587070920 KFKHAITXLPLYJD-KPKJPENVSA-N 406.938 6.688 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cccc(C(N)=O)c2[nH]1 587072894 ZOFOJEMLBQNJGL-DAJLKQTQSA-N 400.309 5.335 0 1 HKAF FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587087035 AMQFUEOAFPWTEO-ZETCQYMHSA-N 410.184 5.094 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(Br)c(Cl)c3)nc3cccc1c23 587101709 LFXUQADBJJYURD-UHFFFAOYSA-N 420.693 6.529 0 1 HKAF Cc1ccc2c3c(c4c(nc13)C(CSc1ccccc1)=CC4)-c1ccccc1C2=O 587101934 JWCLXASKZUKNEN-UHFFFAOYSA-N 405.522 6.486 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c(F)c2)c1 587147128 HTSHIUZTZCJHFY-UHFFFAOYSA-N 416.330 5.160 0 1 HKAF C[C@]1(c2cccc(OC(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327186 FNGPYZQHLSKNRE-NZQKXSOJSA-N 414.379 5.407 0 1 HKAF COc1cccc([C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587347582 FIMNTMOXSYPNBO-NOZRDPDXSA-N 404.437 5.204 0 1 HKAF O=C1c2ccc(O)cc2OC(c2ccccc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 587354466 NLBNMXCQLSMQNR-RUZDIDTESA-N 410.444 5.834 0 1 HKAF COc1cccc(-c2cc(-c3cc4ccccc4oc3=O)nc3c2oc2ccccc23)c1 587364792 HRYPDRILZDVKQP-UHFFFAOYSA-N 419.436 6.430 0 1 HKAF COc1cccc(-c2c(CC3CCCC3)c(C(C)(C)C)nc3c2oc2ccccc23)c1 587365316 JHWVVZCFQCAVQU-UHFFFAOYSA-N 413.561 7.687 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1ccc(Cl)cc1)[C@@H](C2)C3=O 587422482 QFYGKEQFFSGEJA-YADARESESA-N 406.865 5.416 0 1 HKAF COc1cc2c3c(c1)O[C@](c1cccc(SC)c1)(c1ccc(F)c(F)c1)[C@@H](C2)C3=O 587426767 PQHOLAZETGJMON-MHECFPHRSA-N 424.468 5.387 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)c(OCc3ccccn3)c(C)c1)CC2=O 587486105 AEUCPURWNDMQPX-DEOSSOPVSA-N 417.505 5.642 0 1 HKAF CCCc1sc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1Br 587493057 QEFZDZPOHNBHHR-INIZCTEOSA-N 409.345 5.828 0 1 HKAF CC1(C)Cc2nc(Cl)cc(Cl)c2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587496982 DDJUXJLBWKDVPM-QHCPKHFHSA-N 416.348 6.100 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnc2ccc(Cl)cc12 587554256 WODLKJYINDBFEQ-REWPJTCUSA-N 403.821 5.297 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(-c2cccs2)c1 587555964 ICEIOWDJEJZCAF-XUZZJYLKSA-N 418.445 5.963 0 1 HKAF C[C@]1(c2ccc3c(c2)[nH]c2ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589064 NEGUXYXELZDCQV-SHQCIBLASA-N 421.452 5.904 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2cccc(Br)c2)N1 587680334 PKURKIUXXPFENG-BTDLBPIBSA-N 413.128 5.169 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)c(F)cc2Cl)N1 587722295 XXQFUTOMDXJFNS-RBHXEPJQSA-N 404.657 5.318 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3F)o2)N1 587728918 UHANVGFOEIOREJ-BIBXISHDSA-N 404.254 5.611 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCSc3c(F)ccc(F)c32)N1 587737214 YVMHTGYEKVGUEW-LZVRBXCZSA-N 414.290 5.140 0 1 HKAF CCCCCOc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587790798 GOMAABAQCXDXIW-SZNDQCEHSA-N 406.339 5.781 0 1 HKAF CCCCCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587797986 WWASPVHWWOKRNS-NYHFZMIOSA-N 420.366 6.171 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1/C=C/[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587813158 BPXZPNKZNPAUMB-JZNLXKGKSA-N 406.383 6.276 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC2CCCC2)(c2ccccc2)N1 587816512 ZBKMBIOHIFRLNB-NYHFZMIOSA-N 402.351 5.946 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ccc(O)cc3)n2)N1 587849900 BPCRQRQSJXUQCC-XTZNXHDOSA-N 419.319 5.041 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3nccs3)cc2)N1 587851154 AVYBLPIVEIYGKT-ZMZPIMSZSA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2cc(C)cc(C)c2s1 587867399 YGCVONZLONWMSS-UHFFFAOYSA-N 417.456 6.183 0 1 HKAF COc1ccc(C2(c3nc4cc(Br)cc(F)c4[nH]3)CC3(CCC3)C2)cc1 587936751 ZBRTYGKCAHILSX-UHFFFAOYSA-N 415.306 5.723 0 1 HKAF Clc1c(Br)cnc2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc12 587956777 WCINRMNALHKDLM-HNNXBMFYSA-N 412.718 5.748 0 1 HKAF CC1(C)CCC(C)(C)c2cc(C3(c4ccc(CCC(=O)O)cc4)OCCO3)ccc21 653728689 LOBZKCODPZKVDD-UHFFFAOYSA-N 408.538 5.301 0 1 HKAF COc1ccc2c(c1OC)[C@@]1(C(C)=COc3c(Cl)cc(Cl)cc31)N(C)[C@@H](C)C2 962631080 IZQOGIGTEHEGEL-XMHCIUCPSA-N 420.336 5.427 0 1 HKAF Brc1ccc2c(c1)[C@]1(CCCC2)NCCc2cc(-c3ccccc3)ccc21 962666536 KLRSFLMIPCOTGS-RUZDIDTESA-N 418.378 6.232 0 1 HKAF C[C@@]1(c2ccccc2Cc2ccccn2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962697987 IRTFFBSCTCTYNF-QFQXNSOFSA-N 418.581 5.439 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CC(=O)C(F)(F)F)(c2cc(C)oc2C)N1 962955424 SENIZEPVFSKXIQ-SZNDQCEHSA-N 404.432 5.067 0 1 HKAF CC[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)cc(C)c12 1772609066 JUGWLNNHENCSBY-CQSZACIVSA-N 416.522 5.357 0 1 HKAF C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C=C(O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 2356359234 GPPRBZOWVGZNTF-BWEJABODSA-N 412.614 6.405 0 1 HKAF CC(C)=CCCC(C)=CC[C@]12CCN(C)[C@@H]1Nc1c(Br)ccc(O)c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c1ccc2nc(-c3ccc(-c4cccc(Cl)c4)cc3)c(NCc3ccccc3)n2c1 36382347 UTEKOLDCUWQOHD-UHFFFAOYSA-N 423.947 7.242 0 3 HKAF CC(C)(C)c1ccc(C(=O)N2CC[C@]2(C)C(=O)NCc2cccc3ccccc23)cc1 61925892 IHOANIWAGMZQRC-HHHXNRCGSA-N 414.549 5.058 0 3 HKAF O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccc(-c2ccccc2)cc1 4176309 UNLOYRCMAXGYEX-UHFFFAOYSA-N 413.527 6.339 0 1 HKAF Cn1c(=O)n(C)c2cc(-c3[nH]c(-c4cccs4)nc3-c3cccc(Cl)c3)ccc21 14958475 ZMDUZLVDUGTHKN-UHFFFAOYSA-N 420.925 5.316 0 1 HKAF COc1ccc([C@H]2COc3c(ccc4c3C=C[C@](C)(CCC=C(C)C)O4)C2)c(O)c1 15268982 RUYCHAPZLGACHW-BCHFMIIMSA-N 406.522 6.030 0 1 HKAF biogenic CCCCCCN[C@@H](c1ccc(O)cc1)[C@H](NCCCCCC)c1ccc(O)cc1 27883732 PYRRFJMLFGBSEJ-WMPKNSHKSA-N 412.618 6.220 0 1 HKAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@H]1N(C)Cc1ccccc1 28242324 DZLXIAFYUJZFJC-NHCUHLMSSA-N 405.369 5.790 0 1 HKAF O=C(NN1C(=S)Nc2sc3c(c2[C@@H]1c1ccccc1)CCCC3)c1ccccc1 33900432 OJXBMBQOYCIZIO-FQEVSTJZSA-N 419.575 5.074 0 1 HKAF Cc1nc(C(=O)N2CCCC[C@@H]2CCOc2ccc(F)cc2)c(-c2ccccc2)s1 34232620 VDPZWYVAUUMDAS-HXUWFJFHSA-N 424.541 5.721 0 1 HKAF CN(C)C(=O)Cn1c(-c2ccccc2)c(C2CCCCC2)c2sc(C(=O)O)cc21 34545222 MLNJWPGFXYKPAF-UHFFFAOYSA-N 410.539 5.204 0 1 HKAF Oc1c(Br)cc(/C=C/c2c(Cl)cccc2Cl)cc1Br 58649597 RLPYELPZSFVXBH-SNAWJCMRSA-N 422.931 6.394 0 1 HKAF in-vitro COc1ccccc1CN1CCC(=O)[C@@H](C(c2ccc(F)cc2)c2ccc(F)cc2)C1 72106160 PROVIONNLHVHPU-QHCPKHFHSA-N 421.487 5.197 0 1 HKAF COc1ccc2cc(C(=O)Nc3ccc(-c4ccc(OC)c(OC)c4)cc3)ccc2c1 73197019 JAADJKKQUWVIQN-UHFFFAOYSA-N 413.473 5.785 0 1 HKAF O=C(CCc1ccc(-c2ccccc2)cc1)NCc1nc2cc(Cl)c(Cl)cc2[nH]1 73388654 VQGDSEAKEXVBEX-UHFFFAOYSA-N 424.331 5.786 0 1 HKAF COc1ccccc1CNc1ncc(-c2nc(C)c(C)s2)c(-c2cccc(C)c2)n1 82173799 DVXUHCKMLMYTRQ-UHFFFAOYSA-N 416.550 5.813 0 1 HKAF c1ccc(CCCNc2ncnc3c2nc(C2CCCCC2)n3C[C@H]2CCCO2)cc1 82179916 JWCRQIZTTSBSNP-OAQYLSRUSA-N 419.573 5.098 0 1 HKAF CCCP(=O)(CCC)[C@@H](Cc1ccc(F)c(F)c1)c1sc2ccccc2c1C 84635365 CPHLHKBFTUDQBK-NRFANRHFSA-N 420.505 7.955 0 1 HKAF CCCCC[C@H](O)C[C@@H](CCc1ccc(O)c2c1C=C[C@@H]1CCC[C@@H]1O2)OC(C)=O 85627695 XEKQHUBPILNRDJ-JCUDRXCFSA-N 416.558 5.162 0 1 HKAF biogenic,in-vitro CC[C@H](C)C[C@H](C)C[C@H](CO)C[C@@H](C)/C=C(C)\C=C(\C[C@@H](C)C(=O)OC)C(=O)OC 85817079 WZRMQIAMDZWMAG-QKUXMXHZSA-N 424.622 5.328 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@@]3(C)C(=C2C1)CC(=O)[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@]13C 100779561 MQILTVJSXIHHGW-VYCUDYPCSA-N 424.713 8.521 0 1 HKAF endogenous,in-man Cc1cc(Oc2ccc(-c3ccn4c(CC5CC5)nnc4c3Cl)cc2F)ccn1 114489840 JFAYICLXERWYOZ-UHFFFAOYSA-N 408.864 5.637 0 1 HKAF O=C(O)COc1cc2c(c(Cl)c1Cl)C(=O)[C@](c1ccccc1)(C1CCCC1)C2 138763813 NPTDHYOKDFDEJI-JOCHJYFZSA-N 419.304 5.324 0 1 HKAF CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)[C@H](c2ccc3ccccc3n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rc1ccc(-c2nc3ccc(Nc4ccnc5ccccc45)cc3[nH]2)cc1 299826083 SMWMEJKZZKYMBJ-UHFFFAOYSA-N 415.294 6.284 0 1 HKAF COc1ccc2cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)ccc2c1 586990871 HDTGDVMRYBAWOH-UHFFFAOYSA-N 403.437 5.981 0 1 HKAF Clc1cc(Cl)cc(-c2cncc(-c3nc4c(Br)ccnc4[nH]3)c2)c1 587067692 LFPKPYAEXUFCQX-UHFFFAOYSA-N 420.097 5.756 0 1 HKAF Clc1cccc(COc2ccc(-c3nc4ncc(Cl)c(Cl)c4[nH]3)cc2)c1 587071492 NIXBKRNLQFAPTO-UHFFFAOYSA-N 404.684 6.164 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC[C@](C)(C(=O)OC(C)(C)C)C4)-c1ccccc1C2=O 587095802 AVPVDVPGJGCFCE-MHZLTWQESA-N 413.517 5.591 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@@H]1CN(Cc3ccccc3)C[C@H]1C4)-c1ccccc1C2=O 587095963 ALOMDPRRTKCWHX-NTKDMRAZSA-N 416.524 5.526 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(Cl)ccc3Br)nc3cccc1c23 587102472 UPRCCEPYJYBPSS-UHFFFAOYSA-N 420.693 6.529 0 1 HKAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587149863 NSXVXQUXOOVDLA-AREMUKBSSA-N 423.491 6.483 0 1 HKAF Cc1c(Cl)ccc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c12 587155366 XTNIEHBGYJINFO-UHFFFAOYSA-N 409.848 5.348 0 1 HKAF CC[C@@H](Oc1ccccc1F)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 587156536 UVOKXKNDVKGQTP-MRXNPFEDSA-N 407.283 5.782 0 1 HKAF CC(C)(C)c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2n1 587184783 WHTUVBMDQOBJLU-YFHOEESVSA-N 403.267 5.030 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1Cc1c2nc2cccc3c2c1CC3 587216314 ZWZGWOUPROEEMP-OFRBSWFOSA-N 401.594 5.751 0 1 HKAF C[C@@]1(c2ccc(C(F)(F)F)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327786 HMTHCYMYKWVFEE-CTNGQTDRSA-N 417.358 5.219 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1cc(C(F)(F)F)ccc1Cl)O2 587380108 AMYUXTHRLMOFMH-IBGZPJMESA-N 420.818 5.747 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cn(C(C)(C)C)nc1-c1ccccc1Cl)[C@@H](C2)C3=O 587422791 ZYZLHFROKFQPIM-QMHKHESXSA-N 422.912 5.456 0 1 HKAF CCCOc1cc(Br)ccc1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587457565 KMVFYKGVWPTWCC-FQEVSTJZSA-N 419.315 5.603 0 1 HKAF O=C1C[C@@]2(CCSc3ccc(Br)cc32)Oc2c1ccc1c2CCCC1 587537572 HXFGEYXQOGKNMC-OAQYLSRUSA-N 415.352 5.684 0 1 HKAF CCCCC[C@@H]1[C@@H](CC(=O)O)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587600448 AQLSVRSYOFLCJN-AVBSYJKISA-N 424.493 5.174 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccs1 587611726 JKIODNSTRKMMEV-ZJSXRUAMSA-N 400.455 5.359 0 1 HKAF Cc1ccccc1-c1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587613090 NILPAAURKSDUGK-NZQKXSOJSA-N 415.470 5.527 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2cccs2)c1 587613819 QSBZSQZXUFSBOF-XUZZJYLKSA-N 400.455 5.824 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CC=C(Br)CC2)N1 587681397 KSVDPVNPPBEEAD-YOIRWDDOSA-N 417.160 5.417 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3nc(Cl)ccc32)N1 587703216 GIZKTSOTMWROQO-BIBXISHDSA-N 423.757 5.387 0 1 HKAF Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1C(F)(F)F 587709971 DATZWRVRWZCZKJ-VOJFVSQTSA-N 416.256 5.713 0 1 HKAF Cc1cc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(-n2cccn2)c1 587762348 XSCPJKAXDRCSPN-LHSJRXKWSA-N 414.322 5.014 0 1 HKAF Cc1ccc(-c2nc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)co2)cc1 587772316 FMMBXOSENDBCSP-BLVKFPJESA-N 401.279 5.175 0 1 HKAF Cc1cc(C)c2nc(O)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587777974 KICSXVNGRCNYFT-MPBGBICISA-N 415.306 5.082 0 1 HKAF CN(C)CCOc1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783849 HJFQHCMNWXPXKW-GDNBJRDFSA-N 413.521 5.253 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNc3cc4ccccc4cc32)N1 587789957 CFIMEIMCQBWRNB-WHEQGISXSA-N 411.318 5.335 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccccc1-c1ccccc12 587829110 QQHPMGONPTXCNH-JCQPUDPBSA-N 422.297 5.229 0 1 HKAF Cc1ccccc1C1([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCOCC1 587833912 IMKCFNBKUJEYKN-QVKFZJNVSA-N 418.350 5.220 0 1 HKAF Fc1cccc(-c2ccc(-n3c(-c4cccs4)ccc3-c3cccs3)cc2F)c1 587945268 LDUQMOLDEUEVLB-UHFFFAOYSA-N 419.521 7.880 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(F)cnc2[nH]1 587959287 KVNYMXUBYYLZBY-XSCOUVMYSA-N 421.604 7.951 0 1 HKAF O=C(Nc1ccc2c(c1)N(C(=O)Cn1cccc1)c1ccccc1CC2)OC1CCC1 653710276 LUFKWVILAVRFEZ-UHFFFAOYSA-N 415.493 5.053 0 1 HKAF Clc1cccc(-n2c(-c3ccccc3)c(-c3ccccc3)c3c2ncn2cnnc32)c1 653845139 XOJMYBVBVPXFCH-UHFFFAOYSA-N 421.891 6.056 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(C)C[C@H]1CCCCC1=O 961773092 DDKDPUBFEDXEDK-CJAUYULYSA-N 412.574 5.203 0 1 HKAF COc1ccc2c(c1OC)[C@@H](c1ncc(-c3ccc(C(C)(C)C)cc3)o1)N(C)[C@H](C)C2 962635131 QTMUSRIXQYEBPK-MWTRTKDXSA-N 420.553 5.622 0 1 HKAF c1ccc(-c2ccc3c(c2)CCN[C@]3(c2ccccc2)[C@H]2N[C@@H]2c2ccccc2)cc1 962673259 YDBVYLXTDOTIBZ-ULNSLHSMSA-N 402.541 5.456 0 1 HKAF COc1cccc2cc3c(nc12)[C@H](c1cc(F)ccc1OCc1ccccc1)NCC3 963054525 HUCCFFJAXQPBSE-SANMLTNESA-N 414.480 5.197 0 1 HKAF O=C(O)[C@@H]1CCC[C@H](C[C@@]2(c3ccccc3)NCCc3c(Cl)cc(Cl)cc32)C1 963101446 AZQBOLVQUPXPAW-PXAQALGRSA-N 418.364 5.664 0 1 HKAF COc1ccc2c(c1)[C@H](c1cc3c(C)cc(C)cc3[nH]1)N(Cc1ccc(F)cc1)CC2 963290415 VKFLPIWMMUKXLX-HHHXNRCGSA-N 414.524 6.080 0 1 HKAF CC(C)c1ccc([C@@]2(CCCCC(=O)O)NCC(C)(C)c3ccc4c(c32)OCO4)cc1 963390369 IKQWGYYGFZWWOO-AREMUKBSSA-N 423.553 5.308 0 1 HKAF Cc1c([C@@]2(C)NCCc3cccc(Cl)c32)c2cc(O)ccc2n1-c1ccccc1 963390634 LVNGBVLTPHBTFX-RUZDIDTESA-N 402.925 5.707 0 1 HKAF CCC[C@H](C)N1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(C)c(F)c2)CC1 1772580510 MNSHFNBABLGNIT-FQEVSTJZSA-N 411.565 5.821 0 1 HKAF c1ccc(CNc2ncnc3c2[C@H](c2ccccc2)c2ccc4ccccc4c2O3)cc1 1772613571 XXINSELBQWBFMU-XMMPIXPASA-N 415.496 6.528 0 1 HKAF Clc1ccc(-n2ccc([C@H](c3ccc(Cl)cc3Cl)n3ccnc3)c2)cc1 1857540608 WYGZUDPMZOMYKX-HXUWFJFHSA-N 402.712 6.272 0 1 HKAF NC(=O)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc(-c3ccco3)c2)cc1 1857553656 ZMKPCDSMGOUNNT-UHFFFAOYSA-N 408.379 5.793 0 1 HKAF CC(=O)c1ccc(OCCCCCCCCCN2CCc3ccccc3C2)cc1O 1857562883 XCLGEGMPSPFEPW-UHFFFAOYSA-N 409.570 5.763 0 1 HKAF CC(=O)OC1=C(c2cccc3cnccc23)Oc2cc3ccccc3cc2-n2cccc21 1857596787 QQMKSGOWIOLTEN-UHFFFAOYSA-N 418.452 5.960 0 1 HKAF C[C@@H]1C[C@H](C(=O)Nc2nc3ccc(SC(F)(F)F)cc3s2)CC(C)(C)C1 1857648069 NTFMEXKSFNJAHD-MNOVXSKESA-N 402.507 6.309 0 1 HKAF C[C@H]1C[C@H](C(=O)Nc2nc3ccc(SC(F)(F)F)cc3s2)CC(C)(C)C1 1857648070 NTFMEXKSFNJAHD-QWRGUYRKSA-N 402.507 6.309 0 1 HKAF O=C(O)[C@@H]1CCCN(C/C=C/C(c2ccccc2)(c2ccccc2)c2ccccc2)C1 1857764620 BAUVLJWTHIJTEM-QNJILJPISA-N 411.545 5.374 0 1 HKAF CO[C@@H]1OC(=O)C2=CC[C@H]3[C@](C)([C@@H](O)C[C@H]4[C@@]5(C)CCCC(C)(C)[C@H]5CC[C@]43C)[C@@H]21 2356412548 SZCOSHPHASAUBT-WWCBENPQSA-N 416.602 5.098 0 1 HKAF CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356632420 BBTIMXAYZRWPNG-JHXIUNCFSA-N 414.718 8.025 0 1 HKAF CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)CCC=C(C)[C@H]1C[C@@H](O)C(C)(C)O1 2356674182 YHXSUSPTGLHIRR-RTBURBONSA-N 422.949 5.016 0 1 HKAF C[C@@H]1CC[C@]2(NC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 2356747422 RNRSCNSOTUEDQF-XAIUJEHFSA-N 412.662 5.253 0 1 HKAF COc1ccccc1-c1ccc2c(c1)[C@](C)(Cc1ccc(Cl)c(Cl)c1)C(=O)N2 61907804 GYQVCIKWJJXMRU-QHCPKHFHSA-N 412.316 6.122 0 3 HKAF O[C@H](c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12)[C@H]1CCCCN1 1591919 IIKOXHYTYFKHKD-WIYYLYMNSA-N 421.755 6.038 0 1 HKAF CCOC(=O)c1cccc(NC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)c1 8611674 VIWMQTPBDCKKQW-UHFFFAOYSA-N 414.461 5.042 0 1 HKAF CCCCC[C@@H](C)[C@H](O)CC[C@@H](C)CCC[C@@H](C)CCOC(=O)c1ccccc1 12153922 KWMDECCDBHDQSM-XJTUCQONSA-N 404.635 7.034 0 1 HKAF c1ccc(-c2nc(SC(c3ccccc3)c3ccccc3)c3ccccc3n2)cc1 13445636 AWMGMAZKFOTOHY-UHFFFAOYSA-N 404.538 7.179 0 1 HKAF Cc1ccc(-c2c(-c3ccccc3)sc(N)c2C(=O)c2cccc(Cl)c2)cc1 13518343 PAJHJBHEPJRBNT-UHFFFAOYSA-N 403.934 6.857 0 1 HKAF O=C(O)c1cccc([C@H](CC(=O)c2ccc(F)cc2)CC(=O)c2ccc(Cl)cc2)c1 27651973 RAFOTLNSPRQIFY-IBGZPJMESA-N 424.855 5.807 0 1 HKAF COc1cccc(C(=O)Cn2c(CC(F)(F)F)nc3cc(Cl)c(Cl)cc32)c1 28817745 MEVAGALHYZVSDD-UHFFFAOYSA-N 417.214 5.339 0 1 HKAF Cn1nc(C(F)(F)F)c(/C=C2\SC(=S)N=C2O)c1SCc1cccs1 28822807 CDQZPWIJWYUGSL-UITAMQMPSA-N 421.516 5.122 0 1 HKAF O=C(N[C@H](Cn1ccnc1)c1ccccc1)c1ccc(-c2ccc(Cl)cc2)cc1 34629625 CIFIVCCKVZFJFT-HSZRJFAPSA-N 401.897 5.375 0 1 HKAF C[C@H](O[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O)[C@H](C)c1ccccc1 40498348 QCBYZOSVCCPKPO-XOWTYJCDSA-N 418.924 5.664 0 1 HKAF COc1cc(CCCCCCCCCCCCCCCO)c(OC)c(OC)c1OC 40564402 ZVAZXIVNXSLROI-UHFFFAOYSA-N 424.622 6.327 0 1 HKAF CC(/C=C/C1=CCCCC1(C)C)=C\C=C\C(C)=C\COC(=O)c1cc(O)ccc1O 40878751 FGSSFHZEZIOVGZ-OGDGMTFFSA-N 408.538 6.396 0 1 HKAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCc1ccccc1OC 43025298 YQPSGXQTYVNZTF-NQLNTKRDSA-N 413.646 7.167 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/[C@H](c1nccn1C)[C@@H](CC(=O)O)C(=O)O 45338719 JRUPZAMPCOXFPV-GNERJVFSSA-N 402.535 5.098 0 1 HKAF COc1ccc(-c2ccnc3cc(-c4ccccc4OC)nn23)cc1OC1CCCC1 45384339 WIBHJYMNEZFFDG-UHFFFAOYSA-N 415.493 5.402 0 1 HKAF CCN(CC)C(=S)S[C@H](CC(=O)c1ccc(OC)cc1)c1ccc(C)cc1 49799676 YRZBIGYARZZYAH-OAQYLSRUSA-N 401.597 5.678 0 1 HKAF O=C(Nc1cccc(OC(F)(F)F)c1)c1ccccc1SCc1ccncc1 64559036 BXGHIRNFIJCAIM-UHFFFAOYSA-N 404.413 5.525 0 1 HKAF CCCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2)c1C 66258599 CMKFIMKZZCVGHX-UHFFFAOYSA-N 419.356 5.588 0 1 HKAF Cc1cn(-c2ccc(Nc3nc4c(s3)CCC[C@H]4c3ccccc3)cc2O)cn1 73196304 NMEDFVVNIWNBMW-SFHVURJKSA-N 402.523 5.555 0 1 HKAF Oc1ccc(CNc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1 82155430 HWFVSJRQDJIDSV-UHFFFAOYSA-N 421.298 5.454 0 1 HKAF CCCCCc1nc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccco2)oc1C 82165852 YKEIOPGYQLJHTE-IRXDYDNUSA-N 408.546 5.915 0 1 HKAF CC1(C)C=C[C@@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1 86025068 DAYKSLOBCZJGHS-XUKRPAFTSA-N 424.713 7.945 0 1 HKAF in-man O=C(Nc1ccccc1)N1CCN(Cc2ccc(Oc3ccc(Cl)cc3)cc2)CC1 95557544 DPSKEDFYUIYHOI-UHFFFAOYSA-N 421.928 5.482 0 1 HKAF CCCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(Cl)cc1 100703451 BTYITSCUIYZYLQ-HNNXBMFYSA-N 401.919 5.552 0 1 HKAF Cc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2c2nc(O)cs2)cc1 169726307 LQKQOMSUBIBLAG-KRWDZBQOSA-N 414.328 5.275 0 1 HKAF COc1cc(-c2noc3c2CCC[C@H]3c2cc(F)cc(F)c2)ccc1-n1cnc(C)c1 205494148 JDPZQGFLGSDMGW-IBGZPJMESA-N 421.447 5.591 0 1 HKAF N#Cc1cc(SC(F)(F)F)cc(N2CCC3(CCC(CC(=O)O)CC3)CC2)c1 209056267 DXIACLRPBPXBLP-UHFFFAOYSA-N 412.477 5.422 0 1 HKAF NC1(c2ccc(-c3nc4ccc(-c5ccncc5)cn4c3-c3ccccc3)cc2)CCC1 224230358 MHPDKKLTPXQKGE-UHFFFAOYSA-N 416.528 6.068 0 1 HKAF CCSc1nc(Nc2cccc(Cl)c2)c2cnn(C[C@@H](C)c3ccccc3)c2n1 299864842 NARPAPOKJAZNIR-OAHLLOKOSA-N 423.973 6.139 0 1 HKAF O=c1ccc2cc(-c3nc4c(Br)cc(C(F)(F)F)cc4[nH]3)ccc2o1 586916636 PCXLCLDEISJYHC-UHFFFAOYSA-N 409.161 5.118 0 1 HKAF CC(C)COc1cc2[nH]c(-c3ccc4oc(=O)ccc4c3)nc2cc1Br 586916733 YMWROSSMBXGBAC-UHFFFAOYSA-N 413.271 5.134 0 1 HKAF CSc1sc(-c2nc3cc(C)cc(F)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586920060 KYXLTNQPQLIULN-UHFFFAOYSA-N 418.968 5.296 0 1 HKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 586982325 KDFVOLSKGKNTSL-CYBMUJFWSA-N 413.319 5.280 0 1 HKAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(Cl)cc2[nH]1 587018577 IKFHCFVEHIGMAK-UHFFFAOYSA-N 422.768 6.973 0 1 HKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c2)cc1 587067474 CATWUHGOLWHGJF-UHFFFAOYSA-N 403.696 6.349 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1c(n(C)c3ccccc13)CC4)-c1ccccc1C2=O 587097424 HJOSHIZMRZSVAW-UHFFFAOYSA-N 400.481 6.012 0 1 HKAF Cc1nc(-c2ccccc2)sc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587101318 FPZGYDRAUZELHL-UHFFFAOYSA-N 418.521 6.854 0 1 HKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(F)c(Br)ccc3[nH]2)cc1 587157774 GDGAIKPNXNZXAG-UHFFFAOYSA-N 413.221 5.750 0 1 HKAF Cc1c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc(-c2ccc(F)cc2)n1C 587165910 GHMLJPZPCOYSIH-UHFFFAOYSA-N 411.480 6.262 0 1 HKAF Brc1ccc(CCc2c(-c3ccccc3)nc3cccc4c3c2CC4)cc1 587208550 URIJTCFYGQCZOK-UHFFFAOYSA-N 414.346 6.548 0 1 HKAF C[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325956 ILHGHAAGPAUGKA-RBBKRZOGSA-N 417.263 6.112 0 1 HKAF COc1ccc([C@H]2C[C@@H]2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587348656 HKJOOLJOYYCMLL-MWXBQQNOSA-N 418.464 5.461 0 1 HKAF CCOC(=O)[C@]1(C)CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587361824 CBVNMTLHMVUQKF-AREMUKBSSA-N 415.489 5.715 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Oc3ccc(F)cc3Cl)cc1)O2 587384687 HXTDOAYLMKHWFK-QHCPKHFHSA-N 411.860 6.043 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(Cl)c(Cl)c3)s1)O2 587410407 MJFIYGCPXINBQV-QGZVFWFLSA-N 404.318 6.319 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cc(OC)c1OC(C)C)CC2=O 587462602 PHNVACPCYJNNHD-IBGZPJMESA-N 404.890 5.500 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1OCc1ccccc1)CC2=O 587479179 LNVJIVISULGURT-SANMLTNESA-N 402.490 5.804 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1c(C(C)C)nn3ccccc13)(C(C)C)CC2=O 587484398 OMBYCJUBELILRW-RUZDIDTESA-N 406.526 5.633 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)/C(=C\c2ccccc2)Oc2cc(O)ccc21 587491696 PDGHHBHJKCAXJB-LNXFQTKESA-N 414.457 5.345 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(CCc1c(C)[nH]c3c(C)cccc3c1=O)CC2=O 587492104 WTXWVUMXBXUNEC-SANMLTNESA-N 419.521 5.160 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)Nc1ccccc1S3)CC2=O 587498993 KYCCRLFJDZXPSS-VWLOTQADSA-N 417.530 6.434 0 1 HKAF O=C1C[C@@H](c2ccc(-c3cccc(Cl)c3Cl)o2)Oc2c1ccc1c2CCCC1 587506586 NLCODPQGZUIPFJ-NRFANRHFSA-N 413.300 6.839 0 1 HKAF O=C(O)CC[C@@]1(c2ccccc2)CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587530396 UILOHRKMTJLSJW-KAYWLYCHSA-N 418.533 5.646 0 1 HKAF C[C@H]1C[C@@H](C)CN([C@@H]2CCCC[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 587583309 ROIXXHASFJYUFN-YQPGRIDZSA-N 421.537 5.013 0 1 HKAF CCOc1ccc2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599620 YHQHEEYXPNQXCN-BVAGGSTKSA-N 412.441 5.647 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccccc2)cc1 587602489 YDWKJKWHCJALHL-OZXSUGGESA-N 410.425 5.887 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2OCC2CC2)N1 587730116 IQBUYBLZRFJQOO-BIBXISHDSA-N 408.286 5.140 0 1 HKAF Cc1ccc(-c2nc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)co2)cc1 587772326 FMMBXOSENDBCSP-BUXKBTBVSA-N 401.279 5.175 0 1 HKAF CCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC 587797507 VRGDIDGXLHAIFV-ZSEKCTLFSA-N 422.338 5.399 0 1 HKAF CC(C)c1ccc2c(c1)[C@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587816585 AOBVBAWICBGYIX-FPTDNZKUSA-N 402.351 5.826 0 1 HKAF COc1ccc2occ([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587825527 ALNIBBAGZXDUHR-YBTHPKLGSA-N 404.279 5.141 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccsc2N)N1 587844418 NTZMUZQBOMITDM-FKIZINRSSA-N 417.347 5.058 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sccc2Oc2ccccc2)N1 587844426 NVBPSNGPQHZQNP-BLVKFPJESA-N 418.331 6.066 0 1 HKAF Cc1c(Br)csc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587844544 OEHOIHWFYKQYNB-WJWGPLDTSA-N 419.157 5.344 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccccn3)o2)N1 587848118 ZQDNQHCVHPTDFW-WLRWDXFRSA-N 419.319 5.351 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccsc3)cs2)N1 587850170 XWANDOXGQKSAMW-MGNBDDOMSA-N 408.361 6.002 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccccc3)s2)N1 587851227 BJAIAYAXGCQEOF-VOJFVSQTSA-N 403.320 5.335 0 1 HKAF COc1ccc(CCCc2nc3cc(Br)c(C)c(C)c3[nH]2)cc1OC 587926207 KPLDDJMXWZLTRM-UHFFFAOYSA-N 403.320 5.135 0 1 HKAF COc1cc(OC)cc([C@@H]2C(=O)c3cc(OC)cc(OC)c3[C@H]2C2CCCCC2)c1 653724635 ULFZMDZSWKRSGT-GOTSBHOMSA-N 410.510 5.365 0 1 HKAF Cc1ccccc1C[C@]1(C(F)(F)F)c2ccsc2CCN1Cc1cccn1C 962372098 GYXCVRNTTJLRQB-OAQYLSRUSA-N 404.501 5.454 0 1 HKAF C[C@@]1(c2nc3ccccc3s2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962647754 WJZYKCMHSUAUTD-LVXARBLLSA-N 411.574 5.307 0 1 HKAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@](c3ccccc3Cl)(C3CCC3)N12 962664809 KRSZETFSMOUPQU-DQEYMECFSA-N 420.940 5.031 0 1 HKAF Cc1ccc(C)c([C@]2(c3ccccc3Cl)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963035622 SBFROEYYJOLBQN-WXTAPIANSA-N 416.952 5.302 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@H]3Cc1c(-c2ccccc2)[nH]c2ccccc12 963059316 QOFFCJDRWRZOQE-DEOSSOPVSA-N 419.528 5.821 0 1 HKAF Cc1noc(C)c1Cn1c(=O)nc(-c2ccccc2)c2c3c(sc21)CC(C)(C)CC3 1857568452 XUOSTKKAADHEJZ-UHFFFAOYSA-N 419.550 5.293 0 1 HKAF CC(C)Oc1cc2c(Nc3ccc(F)c(Cl)c3)c(N)oc2c(-c2ccccc2)n1 1857772638 YHPXTDKOAILMTM-UHFFFAOYSA-N 411.864 6.400 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1[C@H](O)CC[C@]2(C)[C@H]([C@H](C)C=C[C@@H](C)C(C)C)CC[C@H]12 2356393001 WPPVLVJCHIZUQE-KMCNLULNSA-N 412.658 6.921 0 1 HKAF C[C@H](C1=NC[C@H](C)CC1)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C 2356655833 MHSZHQZVWMLGKH-FTLDCGTBSA-N 413.646 5.404 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C(O)C=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356721466 FRIHYFDWJYSSFE-LIOCHGFUSA-N 412.658 7.217 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4[C@H](CCCC4(C)C)[C@H]3C(=O)C[C@@]12C 2356751167 MQKIXGKQVTWMES-CPPQIPLBSA-N 410.686 8.153 0 1 HKAF COc1ccc(-c2nc3ccc(Cl)cn3c2Cc2cccc(Cl)c2)cc1OC 72139660 ZWHWHULSMLXMFV-UHFFFAOYSA-N 413.304 5.916 0 3 HKAF CN1C(=O)[C@H]([C@@H](Nc2ccccc2)c2ccc(Br)cc2)c2ccccc21 206048725 HTUIAVIVZAOCMD-SFTDATJTSA-N 407.311 5.363 0 3 HKAF CC(C)c1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)NC2CCCCC2)cc1 2481071 IFMFRHFICBYORJ-UHFFFAOYSA-N 422.956 6.848 0 1 HKAF O=C(NC1CCCC1)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)cc1F 2481231 ZSZNMOOTESHCDK-UHFFFAOYSA-N 419.283 6.127 0 1 HKAF CC(C)=C[C@@H]1Oc2cc(O)ccc2-c2oc3cc(O)c(/C=C/C(C)C)c(O)c3c(=O)c21 13379902 AXHZIEAQVMBUKO-XZXOBPBMSA-N 420.461 5.646 0 1 HKAF endogenous,in-man COc1ccc2cc(CNCCc3ccc(Cl)cc3)c(-c3ccsc3)nc2c1 15072624 YNWBVMZUMSNAJG-UHFFFAOYSA-N 408.954 5.958 0 1 HKAF CCOC(=O)Cc1sc(-c2nsc3ccccc23)nc1-c1ccc(OC)cc1 26481826 FTTNJWMECSBBDS-UHFFFAOYSA-N 410.520 5.201 0 1 HKAF CCC(=O)N(c1ccccc1)[C@@H]1CCN2C[C@@H](c3ccccc3)c3ccccc3[C@@H]2C1 27994664 ASBWZSLPLOXCAV-NPAAKHOSSA-N 410.561 5.781 0 1 HKAF Cc1cc(-c2ccccc2)nc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)n1 28647331 DJWLQTYNNCVURN-IBGZPJMESA-N 416.333 5.537 0 1 HKAF Clc1ccc(Nc2nc(NCCCN3CCCC3)c3ccccc3n2)cc1Cl 28772225 NDGHAUSOHLQNQS-UHFFFAOYSA-N 416.356 5.578 0 1 HKAF CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(-c2cccc(C)c2)nc2ccc(OC)cc12 45228977 UPMSRTLOSOVJGB-OVWYZSLCSA-N 416.565 5.373 0 1 HKAF COc1ccc(-c2ccnc3cc(-c4ccc(Cl)cc4)nn23)cc1OC1CCCC1 45369233 CXCMYIHXUWCCSZ-UHFFFAOYSA-N 419.912 6.047 0 1 HKAF CCCN(C(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1)c1ccc2[nH]ccc2c1 53312771 LBNLMMKARBTIOL-LJQANCHMSA-N 410.517 5.946 0 1 HKAF CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 58599275 YRMCFJGHPHQPOE-QGZVFWFLSA-N 406.404 5.010 0 1 HKAF Clc1ccccc1-c1cc(-c2cnc(NC3CCC3)s2)nc(-c2ccccn2)n1 64527955 MACIJGKZPVBFCA-UHFFFAOYSA-N 419.941 5.947 0 1 HKAF COc1ccc(-c2ccn(-c3ccc(O)c(F)c3)c2-c2ccc(C(N)=O)cc2C)cc1 68198711 PPASJGVPERTDIP-UHFFFAOYSA-N 416.452 5.072 0 1 HKAF CCCc1c(Nc2ccc(OC)cc2Cl)nc2ccnn2c1N(CCC)CCC 72119790 QAVGICKBKCGFIE-UHFFFAOYSA-N 415.969 5.714 0 1 HKAF Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OCCN(C)C 73222489 INFLUFIEQXHIHE-UHFFFAOYSA-N 415.843 5.252 0 1 HKAF Fc1ccccc1CNc1ncc(-c2nc3ccccc3s2)c(-c2ccco2)n1 82166195 LZSFMDICGXIXHR-UHFFFAOYSA-N 402.454 5.765 0 1 HKAF CN1CCc2ccc([C@@H]3C[C@@H]3c3ccc4cc(C(=N)N)ccc4c3)cc2[C@@H]1C1CCC1 87613075 NJZSIXPZCSWSSH-OBDYRVMHSA-N 409.577 5.724 0 1 HKAF NC[C@H]1CC[C@H](c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn32)CC1 100618987 WPBIYAJMSKUXFS-IZAXUBKRSA-N 413.525 5.003 0 1 HKAF CCC[C@@H](C)CCC[C@@H](C)C(=O)C[C@@H](O)[C@@H](C)C/C=C/C1=C(C)CCCC1(C)C 100781231 JSSNFOHEHRIBDT-KFIQWAGESA-N 404.679 7.658 0 1 HKAF endogenous,in-man NC1(c2ccc(-c3nn4c(Br)cnc4cc3-c3ccccc3)cc2)CCC1 114036299 UMCYDGBCJADPGL-UHFFFAOYSA-N 419.326 5.164 0 1 HKAF CCCCCCCCS(=O)(=O)Nc1cc(-c2ccc(Cl)cc2)ccc1C(=O)O 143687567 VXFRYIJDTNBDRW-UHFFFAOYSA-N 423.962 5.807 0 1 HKAF Cc1ccc(-c2cc(C(=O)Nc3cccnc3)c3cc(-c4ccccc4)ccc3n2)o1 149868343 CVSWLRLXQXLBCR-UHFFFAOYSA-N 405.457 6.118 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cnc(-c2ccccc2)s1 167044007 KECXYZQGQMUYCQ-SFHVURJKSA-N 408.523 5.081 0 1 HKAF O[C@@H](C[C@@H]1CCCCN1)c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1 169336005 XLEHXDWIZFWRLI-RDJZCZTQSA-N 418.381 5.352 0 1 HKAF C[C@H]1c2ccoc2C[C@H]2[C@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]1(O)C(C)(C)CCC[C@]21C 199901414 ZZXWDPBNAKZNOO-UQTXWCEZSA-N 422.565 5.748 0 1 HKAF C[C@@H]1CC[C@@]2(NC1)O[C@@H]1C[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2C 253987039 XYNPYHXGMWJBLV-OWYWQSFNSA-N 415.662 5.367 0 1 HKAF CC(C)COc1cc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586883881 MLJKBKPZSLHXCP-HFZMZTSTSA-N 403.364 5.828 0 1 HKAF FC(F)(F)c1cccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586986088 VQAFEVSFOSFBKE-KRWDZBQOSA-N 424.264 5.529 0 1 HKAF COc1ccc2c(c1)C=C(c1cc3c4c(c(O)ccc4n1)C(=O)c1ccccc1-3)CO2 586991524 ORQHIDXJBBQUIH-UHFFFAOYSA-N 407.425 5.093 0 1 HKAF Cc1ccc2c3c(cc(Cc4cc(Cl)cc(Cl)c4)nc13)-c1ccccc1C2=O 586994018 UKSLJVFRGBIKKA-UHFFFAOYSA-N 404.296 6.652 0 1 HKAF Cc1ccc2c3c(cc([C@H]4C[C@H]4c4c(F)cccc4Cl)nc13)-c1ccccc1C2=O 586994728 DQEMKSHTESHTGS-ZWKOTPCHSA-N 413.879 6.818 0 1 HKAF Brc1ccc(-c2ccc(/C=C\c3nc4ccc5ncccc5c4[nH]3)o2)cc1 586998359 KEOHIYILDKVQCE-WQLSENKSSA-N 416.278 6.304 0 1 HKAF Fc1cc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2cc1Cl 587002932 ZBBVMZBMILHPHY-OWOJBTEDSA-N 409.642 5.060 0 1 HKAF Cc1ccc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2n1 587014328 QAYDFEIJTPRGIH-UHFFFAOYSA-N 421.526 5.328 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(C)c(F)cc4[nH]3)c(Cl)cc12 587078612 XJYKJIKKBVKXGM-LBPRGKRZSA-N 414.864 5.863 0 1 HKAF COCCc1nc(C)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)s1 587101961 KERPGUIQRMSYSN-UHFFFAOYSA-N 400.503 5.375 0 1 HKAF CC[C@H](Oc1ccccc1F)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 587156535 UVOKXKNDVKGQTP-INIZCTEOSA-N 407.283 5.782 0 1 HKAF CC(C)COc1cc2nc(-c3coc4cc(F)ccc34)[nH]c2cc1Br 587173820 AXTRWTDIXCRTSE-UHFFFAOYSA-N 403.251 5.913 0 1 HKAF Cc1nc2sc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c(N)c2c(C)c1C 587208257 NGLBWLFWKKZKGI-UHFFFAOYSA-N 421.525 6.230 0 1 HKAF CC(C)(C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 587354984 PAAIDJQESPJZTK-OZXSUGGESA-N 404.481 6.017 0 1 HKAF O=C1c2ccc(O)cc2O[C@](C[C@@H]2CCOC2)(c2ccccc2)[C@H]1c1ccc(F)cc1 587358821 QMYQRJXSQLRSEK-CNBSGPCYSA-N 418.464 5.212 0 1 HKAF COC(=O)C[C@H]1CCCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587362295 IXOWMUPPIZDXNB-MRXNPFEDSA-N 401.462 5.640 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(F)c(C(F)(F)F)c1)O2 587381981 LTVXBGOAOAWMQV-QFIPXVFZSA-N 415.386 5.644 0 1 HKAF CCOC(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399169 IQHZRMDJVNOPJA-RXFWQSSRSA-N 423.553 5.021 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)Oc1ccc(Cl)cc1Cl)CC2=O 587459145 CHOXEZZPZLJFAF-GTJPDFRWSA-N 409.309 5.843 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-n3cc(C(F)(F)F)cn3)cc1)CC2=O 587464175 KMAGEFZUELRFRP-HXUWFJFHSA-N 416.399 5.256 0 1 HKAF O=C1C[C@H](c2ccc3cccc(Br)c3n2)Oc2c1ccc1c2CCCC1 587497763 MHMWJEWTBUXNNK-HXUWFJFHSA-N 408.295 5.583 0 1 HKAF O=C1C[C@](c2ccc(Cl)cc2)([C@H](O)c2ccccc2)Oc2c1ccc1c2CCCC1 587501628 PLWKDSXZDYXTJM-FTJBHMTQSA-N 418.920 5.813 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(C(F)(F)F)cc1Cl 587558541 WXVDTNIWPFOULU-LPHOPBHVSA-N 421.758 5.162 0 1 HKAF COC(=O)c1cc2nc(COc3cccc(C)c3C)[nH]c2c(F)c1Nc1ccccc1 587563815 JLPNQILVPRCEHN-UHFFFAOYSA-N 419.456 5.428 0 1 HKAF C[C@]1(c2cscc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619110 QUNFGUIVSKJJGA-VQIMIIECSA-N 417.280 5.093 0 1 HKAF O=C(CCCc1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656507 LWYCVNHPWSQZLM-UHFFFAOYSA-N 404.416 5.005 0 1 HKAF CC1=C[C@@H]2C=C([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)C(Cl)=N[C@@H]2C=C1 587707171 UMYHBEODDVKREY-AYJDZPCBSA-N 421.741 5.242 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)(F)F)c(F)c2)N1 587710692 HDZIHEZRXVNRRN-VPTHRUTESA-N 406.192 5.370 0 1 HKAF Cc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587710851 UOOSIOYCMSGZCC-PIGZYNQJSA-N 402.229 5.237 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)ccc(F)c2Cl)N1 587719185 KPZMKDUSZHTTDQ-WNWIJWBNSA-N 421.112 5.832 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(N)cc3)o2)N1 587748431 XCWQKBYRXFDRPM-BIBXISHDSA-N 401.279 5.054 0 1 HKAF CCc1ccccc1-n1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587756172 REDPCAGVLNDOGW-FPTDNZKUSA-N 413.334 5.565 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3cccnc3)cc2)N1 587778425 NCIRJFLLZGZRCJ-ASSNKEHSSA-N 413.290 5.399 0 1 HKAF COc1ccc(C)c2c1CCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587804262 AJNNOMDCAIMOKY-ZSEKCTLFSA-N 404.323 5.019 0 1 HKAF C/C=C\[C@]1(C2=C(C)CCCC2(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587816156 UUZQJOKOTOZCRJ-GMJBXRLLSA-N 406.383 6.420 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(O)cc2)N1 587834434 RXHHSZDVSCBKDM-RCDICMHDSA-N 412.302 5.120 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cccs2)(c2cccs2)N1 587855371 VJKBZAOQQHJOPX-BLVKFPJESA-N 422.388 5.732 0 1 HKAF COc1ccc(C2(c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)CC3(CCC3)C2)cc1 587934053 AJRIORPHALVRLM-UHFFFAOYSA-N 404.407 5.980 0 1 HKAF C/C(=C/c1nc2c(I)cnc(Cl)c2[nH]1)C1CCCCC1 587969234 WZMXSWALIVNUSZ-CLFYSBASSA-N 401.679 5.200 0 1 HKAF CC1=C([C@]2(C)NC3(CC3)Cc3ccc(Br)cc32)Sc2ccccc2N1 961617157 UAFPIBHIOUIPCH-HXUWFJFHSA-N 413.384 5.792 0 1 HKAF COc1cc(Br)ccc1[C@@]1(C)c2ccsc2CCN1Cc1ccco1 962701680 DNCOVCNPMHVSPO-FQEVSTJZSA-N 418.356 5.434 0 1 HKAF CCCC[C@]1(CCCCCCC(=O)O)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962732260 YRSZLULZDMGNRX-WIYYLYMNSA-N 413.480 5.143 0 1 HKAF CC[C@@H]1S[C@H](C)C[C@@]2(NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)[C@@H]1C 962950972 FPWVLHWLOXJNGG-CMCRGWCASA-N 413.549 5.492 0 1 HKAF O=C(O)c1cccc2c1CCN[C@H]2c1c(OCc2ccccc2)ccc2ccccc12 963136152 YTTCIUYYVQZIDN-AREMUKBSSA-N 409.485 5.352 0 1 HKAF CCOC(=O)c1ccc(C[C@]2(c3ccccc3)NCCc3cccc(Cl)c32)cc1 963390610 LLNMZVFABZMTMC-RUZDIDTESA-N 405.925 5.149 0 1 HKAF Cc1cc(-c2nc(-c3ccc(OCC4CC4)c(Cl)c3)n3c2CCOCC3)cc(C)n1 1772614862 XAYRKGQPJNSKPH-UHFFFAOYSA-N 423.944 5.244 0 1 HKAF Cc1cccc(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3nsnc3c2)n1 1857554476 UJFBSMSBEICOCZ-UHFFFAOYSA-N 416.485 5.203 0 1 HKAF O[C@@H](CNCCC1CCCC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 1857578057 HPSCNQRWPLUVKL-INIZCTEOSA-N 420.397 5.476 0 1 HKAF c1ccc(Oc2ccccc2-c2cnc3c(NCCc4cccnc4)nccn23)cc1 1857611058 RLHDJAJVVJCTPE-UHFFFAOYSA-N 407.477 5.238 0 1 HKAF O=C(Nc1ccc(Oc2ccccc2)cc1)c1csc([C@H](O)c2ccccc2)n1 1857614263 NKWGTWUENXUVSB-OAQYLSRUSA-N 402.475 5.269 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@H]1CC3 2356328626 CYEADWAQMXQSDD-VHWOZDHJSA-N 400.691 7.923 0 1 HKAF CC=C(C)[C@H](O)[C@@H](C)C=CC=CCC(C)=CCc1nc(OC)c(OC)c(O)c1C 2356388497 HVSNZEPHFYYIKC-RXVVDRJESA-N 401.547 5.067 0 1 HKAF CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC[C@H](O)CO 2356517436 JWPHORDRFVRZPP-XMMPIXPASA-N 402.575 5.361 0 1 HKAF COc1cc(OC)c2c(c1-c1c(C)cc3cccc(OC)c3c1O)C[C@@H](C)N(C)[C@H]2C 2356563819 NNJPNEIAOPIFMB-CVEARBPZSA-N 421.537 5.484 0 1 HKAF CC1(C)O[C@H](C=Cc2ccccc2)[C@]2(C)C(=O)O[C@@H](CCc3ccccc3)C[C@H]2O1 2356654803 KUVJTOPFKQLXGB-JTKRFKOTSA-N 406.522 5.175 0 1 HKAF CC(C)CC=C[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356690119 NFWKUHWWUWPAOU-PVSZWZPQSA-N 414.630 5.747 0 1 HKAF CCC[C@H](C)C(=O)Nc1nc(C)c(-c2csc(Nc3ccc(Cl)cc3)n2)s1 8691903 JOOPLGZJTPGQQR-NSHDSACASA-N 420.991 6.347 0 3 HKAF COc1cc2oc(=O)cc(-c3cccc(-c4cccc(C)c4)c3)c2c(OC)c1OC 13814049 ARQCEFOSGRELDJ-UHFFFAOYSA-N 402.446 5.461 0 3 HKAF CN1C=CN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)C=C1 5850567 DTHNGLBXMLDUNS-UHFFFAOYSA-N 403.473 5.888 0 1 HKAF in-vitro COc1cc(O)c(C(=O)CCc2ccccc2)c2c1C[C@@]1(C=C[C@H](C(C)C)CC1)O2 13308450 NVHLTNASIPVGQS-SIBVEZHUSA-N 406.522 5.512 0 1 HKAF biogenic C[C@H]1C[C@H](c2cc3ccccc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc12 13535687 RHSFODFYAUATPZ-SXLOBPIMSA-N 420.578 5.390 0 1 HKAF CN1CCCC[C@@H]1Cn1cc(C(=O)c2ccc(F)c3ccccc23)c2ccccc21 13672796 IVKVVCGMDQQSPX-GOSISDBHSA-N 400.497 5.649 0 1 HKAF CCC(=O)N(c1ccccc1)C1(c2ccccc2)CCN(CCc2ccccc2)CC1 26573383 BXCJXJLHYMWMQU-UHFFFAOYSA-N 412.577 5.664 0 1 HKAF in-man CCCCC/C=C/C(=O)O[C@H]1C[C@H]2[C@H](CCC[C@H]2CCCC[C@H](O)CCC)N[C@@H]1C 26835021 QNAATLGQMSSVEO-SCOANSFHSA-N 421.666 5.923 0 1 HKAF Cc1ccc([C@H]2Oc3ccccc3N(CCCCCN3[C@@H](C)CCC[C@@H]3C)C2=O)cc1 27329937 WKDRRRCCFURGGM-AOJNWGRGSA-N 420.597 5.895 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@H]3C=Cc4cc(C(=O)O)ccc4[C@@H]3CC[C@]12C)C(C)C 28090757 UNTVUXKLSQXPLR-ULKMUXEJSA-N 409.570 5.583 0 1 HKAF CC(C)(C)c1csc2nc3n(c(=N)c12)CC/C3=C\c1ccccc1Br 28334091 AUHVLVLVAOKAMR-GOPRIXMCSA-N 414.372 5.582 0 1 HKAF CCCc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)O 28952019 BYRQXKXSMDUCHY-IBGZPJMESA-N 405.494 5.420 0 1 HKAF Cc1ccc(-n2c([C@H]3COC(C)(C)O3)nc(-c3ccccc3)c2-c2ccccc2)cc1 29126353 OGKJWLANLONZFZ-HSZRJFAPSA-N 410.517 6.339 0 1 HKAF CC(C)c1cc(Oc2c(Cl)cc(NCP(=O)(O)O)cc2Cl)ccc1O 34777155 VBUJXSSBBJJPKZ-UHFFFAOYSA-N 406.202 5.162 0 1 HKAF CC(C)NCc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 45190416 OLMDLWHSWMSYKL-UHFFFAOYSA-N 415.484 6.475 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc(S[C@H](C)C(=O)O)c1O 45290783 KADIXQAVRLWQEJ-WOWIQYTBSA-N 418.599 6.004 0 1 HKAF COc1cc([C@H](C)CCCc2ccc(F)cc2)cc2c1-c1cnccc1C(C)(C)O2 59687909 ZUWMWZBYLNCDJN-QGZVFWFLSA-N 405.513 6.650 0 1 HKAF O=C(Nc1ccc(-c2ncccn2)cc1)Nc1cc(C(F)(F)F)nc2ccccc12 64417269 PHBLNNRYZKOQOD-UHFFFAOYSA-N 409.371 5.355 0 1 HKAF COc1cc(-c2n[nH]c3ccnc(-c4ccc(F)c(Cl)c4)c23)cc(OC)c1OC 82082755 GEQSEDRKGOHJKQ-UHFFFAOYSA-N 413.836 5.110 0 1 HKAF CCCC[C@H](CC)CNC(=O)[C@H](CCCC)Nc1nc(-c2ccc(O)cc2)cs1 82194698 MOKOYYIPNJFULJ-PXNSSMCTSA-N 417.619 5.819 0 1 HKAF CCOc1ccc2c(C(C)C)cc(-c3cc4ccccc4nc3N3CCCC3)cc2n1 95553025 SWGZWBMKPMUYCA-UHFFFAOYSA-N 411.549 6.572 0 1 HKAF CCCCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(OC)cc1 100703518 IMXPSWGEUOPECX-QGZVFWFLSA-N 411.527 5.297 0 1 HKAF Clc1ccc(-c2c(-c3ccc(Cl)cc3Cl)nnn2Cc2ccccc2)cc1 103210299 UNOCVRDUYYKIOW-UHFFFAOYSA-N 414.723 6.621 0 1 HKAF CCOC(=O)[C@](C)(Cc1ccccc1)c1csc2c(-c3ccc(Cl)cc3)cnn12 115656720 BBEDZQIJJGXNCF-HSZRJFAPSA-N 424.953 5.780 0 1 HKAF Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4ccsc4)c(F)c3F)[nH]c2c1 144715632 LZTRVMALDGSOEQ-UHFFFAOYSA-N 406.360 5.521 0 1 HKAF Cc1cc(C)c2nc(Oc3ccc(Cl)cc3)cc([C@H](O)C[C@H]3CCCCN3)c2c1 169334699 HMFTTZWNNVQUJV-XMSQKQJNSA-N 410.945 5.863 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](CC(C)C)C(=O)O 169622511 WNCPUJGFGSAQTQ-FBDUAZINSA-N 417.634 6.748 0 1 HKAF CN[C@H]1CCC[C@H](n2cc(-c3ccc4c(c3)CC[C@@H]4N=O)c(-c3ccncc3)n2)C1 169686143 NNFRBCFFCSKCFE-JTAQYXEDSA-N 401.514 5.069 0 1 HKAF Oc1c(-c2ccccc2)n(-c2ccc(Cl)cc2)c(=S)n1-c1ccc(Cl)cc1 169719318 QJBCEHCGXIFZDF-UHFFFAOYSA-N 413.329 6.677 0 1 HKAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C(=O)C1(c2ccccc2)CCCCC1 201098999 IRPJOUWPXPTNSW-YQIFXUADSA-N 403.566 5.345 0 1 HKAF CC(C)[C@H]1C[C@@H]1C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255208783 FBHIUIDQPRBDHL-NVZHYYNWSA-N 400.691 7.325 0 1 HKAF Clc1cccc([C@H](c2ccc(OCCN3CCCCC3)cc2)c2cccs2)c1 299855904 BXDNADUQMLIFKB-DEOSSOPVSA-N 411.998 6.446 0 1 HKAF CCCCCOc1cc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2cc1Br 586887901 VHKCMNXBEMCJII-ILXRZTDVSA-N 417.347 5.533 0 1 HKAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586916210 LENCWIGOIFAANN-DJJJIMSYSA-N 408.807 5.452 0 1 HKAF Cc1nn(-c2ccccc2)c(C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986961 IFVNMEWAGBBGIF-UHFFFAOYSA-N 417.468 5.621 0 1 HKAF Cc1nc(COc2cccc(-c3nc4ccc(Br)c(O)c4[nH]3)c2)cs1 587020767 XVKHGSNBUXUCMN-UHFFFAOYSA-N 416.300 5.042 0 1 HKAF COc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1C 587027831 SSHVJHCPBXVWTH-AHRSYUTCSA-N 409.555 5.016 0 1 HKAF CCCCOc1cc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2cc1Br 587058555 GHBZJOHRHPTAQV-HNNXBMFYSA-N 422.754 5.400 0 1 HKAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Br)cc(Cl)c2[nH]1 587078994 FFASSVAMYOQNTD-CYBMUJFWSA-N 424.129 5.356 0 1 HKAF Clc1cc2ccc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cc2cn1 587084652 FKSBUTNUJKPEGJ-UHFFFAOYSA-N 412.905 6.708 0 1 HKAF Cc1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1C 587178881 NMUBXYMBRKXYPZ-UHFFFAOYSA-N 416.184 5.470 0 1 HKAF Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)c4coc5ccccc45)c3n2)cc1 587281095 UUMJBTMXDXUEBN-UHFFFAOYSA-N 403.388 5.620 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3CCCc4cccc2c43)[C@H]1c1ccc(F)cc1 587353237 OHRZICGONVZPCS-CIHKJSBTSA-N 400.449 5.609 0 1 HKAF COc1cccc(-c2cc(-c3ccc4c(c3)OCC(=O)N4)nc3c2oc2ccccc23)c1 587364160 YHTFIRZJCPCULE-UHFFFAOYSA-N 422.440 5.655 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-n3c4ccccc4c4ccccc43)cc1)O2 587389861 KHWPNGDNZAJSED-HHHXNRCGSA-N 418.496 6.381 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-n3c4ccccc4c4ccccc43)cc1)O2 587389864 KHWPNGDNZAJSED-MHZLTWQESA-N 418.496 6.381 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4ccc5sccc5c4)o1)[C@@H](C2)C3=O 587454174 VMZAWWWIGGWLBE-BXKMTCNYSA-N 402.471 5.833 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(Cc3ccc(Cl)cc3)c1C)CC2=O 587459384 CXPZSGXXULSGFG-JOCHJYFZSA-N 424.928 5.566 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cc3ccccc3nc1N)(C(C)(C)C)CC2=O 587473442 VDKPXZUGYBAGSL-RUZDIDTESA-N 404.510 5.382 0 1 HKAF CC(C)C[C@]1(c2cccc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587501700 JQEMFFOEANLVMT-HSZRJFAPSA-N 413.355 6.235 0 1 HKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1ccccc1)Oc1ccccc12 587536483 UNYXGEMTKNCBLN-RPLLCQBOSA-N 410.469 5.129 0 1 HKAF C[C@]1([C@@H]2C[C@H]2c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546061 HXMPTHDHDGTMRJ-LKMOQRQYSA-N 406.865 5.570 0 1 HKAF CC(C)[C@@]1(CCc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550237 VXPPSDJMGWWMTR-WIOPSUGQSA-N 422.908 6.035 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cccc(Cl)c2n1 587552463 RPKGFOMMADYJCX-CVDCTZTESA-N 403.821 5.297 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)(F)F)c(F)c1 587555001 KBXKJPLAPBOIJI-XLIONFOSSA-N 420.314 5.133 0 1 HKAF COc1cc(C)ccc1OCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587563357 CIBQIKQSLYBHHW-UHFFFAOYSA-N 415.209 5.240 0 1 HKAF CC(C)COc1cccc(OCc2nc3cc(Br)c(F)c(F)c3[nH]2)c1 587566094 UMSHJMUWAJYKJA-UHFFFAOYSA-N 411.246 5.217 0 1 HKAF C[C@@]1(CCSc2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571386 NQKAHGSOOIMJFO-REWPJTCUSA-N 410.466 5.434 0 1 HKAF CCCCc1oc2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616416 JQRHCMXRFMQTQI-JYFHCDHNSA-N 414.457 6.184 0 1 HKAF Cc1ccc(C(=O)c2c(C(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)cc1C 587622988 VYJYTEYPNNUFKS-UHFFFAOYSA-N 418.241 5.592 0 1 HKAF CCOC(=O)c1c(-c2ccc(Br)cc2F)[nH]c2ccc([C@H](C)CC)cc12 587643506 VAISKFQAEVRZRC-GFCCVEGCSA-N 418.306 6.427 0 1 HKAF C[C@H]1CCc2sc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc2C1 587660897 JHWWGQDLVWKXAX-AWEZNQCLSA-N 418.493 5.077 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(C(F)(F)F)c2)N1 587712157 JOKOANDZKOPRHJ-DYZYQPBXSA-N 402.229 5.405 0 1 HKAF COc1cc(C(F)(F)F)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587715214 XHGQNBQZXBATDP-VVVCHXIZSA-N 418.228 5.239 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)CN(C)Cc2ccccc2)N1 587742568 SAJYCDYGKQAJGL-BTYIYWSLSA-N 419.382 5.322 0 1 HKAF COc1ccc(C)c2c1CCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587804809 BWGSXBCZEXACHF-YEJXKQKISA-N 404.323 5.019 0 1 HKAF CC(C)[C@]1(c2ccc(C(C)(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587813897 QKVDESJVXFOUPE-IQMFZBJNSA-N 418.394 6.320 0 1 HKAF CC(C)[C@@H]1CCc2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587823053 OBDVAYULVDGNKJ-AOSWFRPUSA-N 402.351 5.584 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2cc(F)c(F)cc2[nH]1 587864242 ICHFLOZBNNCQTM-UHFFFAOYSA-N 408.330 5.111 0 1 HKAF Cn1nc(C(F)(F)F)c2cc([C@H]3c4ccsc4CCN3Cc3ccco3)sc21 962706423 LXMYNNAIGKUVRC-MRXNPFEDSA-N 423.485 5.456 0 1 HKAF CC[C@H](C)C[C@@]1(c2ccc(C3OCCO3)s2)N[C@H](CC)Cc2c1[nH]c1ccccc21 962944203 HFLGYHMRWCEJPD-QLODZENZSA-N 424.610 5.879 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCC2OCCCO2)(c2cccc(F)c2)N1 962948841 OPQRDPSOQFBJAG-UQBPGWFLSA-N 408.517 5.018 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2nn(-c3ccc(OC)cc3)c3ccccc23)N1 962955056 LXEIUIZGZHXUHO-CBZJRKILSA-N 422.532 5.529 0 1 HKAF CCCCc1ccc([C@@]2(c3ccnc(C)c3)c3c(F)cccc3C[C@H]3CCCN32)cc1 963100902 IZNSZNOFCNOOGJ-LEAFIULHSA-N 414.568 6.184 0 1 HKAF COc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)c2ccc(F)cc2C[C@H]2CCCN21 963103858 OFOFKUCGGWYSAP-ZBLYBZFDSA-N 413.492 5.532 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1c[nH]c2cc(Br)c(Cl)cc12 963118179 YYTFBHGMBHFHHK-ZUOKHONESA-N 419.725 5.833 0 1 HKAF CCCN1[C@H](c2cccc(-c3ccc(C(=O)OC)cc3)n2)c2ccccc2C[C@H]1C 963228189 KYZKDWSBFKXGOI-CJAUYULYSA-N 400.522 5.281 0 1 HKAF CCc1c(C(=O)O)cccc1-c1cc(C)cc(Nc2nccc(C(F)(F)F)n2)c1 1772580212 MVLTYELRKMSLRM-UHFFFAOYSA-N 401.388 5.475 0 1 HKAF Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(CC2CCCCC2)CC1 1857604363 PEPNEROFUKNVQJ-UHFFFAOYSA-N 407.001 6.312 0 1 HKAF O=C(Nc1ccccc1Cl)N[C@@H](C(=O)Nc1cc(F)ccc1F)c1ccccc1 1857753803 CWEQYRZJTQQZLN-LJQANCHMSA-N 415.827 5.120 0 1 HKAF Clc1ccc(CCCN2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1Cl 1857761887 NSSUOFYUZNFJDL-HBUYNFGHSA-N 419.440 5.821 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@]3(O)CC[C@@]21C 2356469336 JJJSDRCOEVDSMV-VLRVLNKMSA-N 402.663 6.504 0 1 HKAF CCCC=CC[C@@H]1CC=CC=C(C)C=CC=C[C@@H](O)[C@@H](O)C=C(C)C=CC=CC(=O)N1 2356489520 ALYLZDHKQZUVDF-CYXNTTPDSA-N 423.597 5.017 0 1 HKAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NCCc2ccc(F)cc2)c1 775588 DDBZSTOOTPIGNN-UHFFFAOYSA-N 410.489 5.149 0 1 HKAF COc1ccc(-c2noc(-c3cccc4ccccc34)c2C(=O)NCCC(C)C)cc1 2480959 NRPQBQNFFCEQLK-UHFFFAOYSA-N 414.505 5.946 0 1 HKAF COCCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1cccc2ccccc12 2481128 YOKSWOCYDWYOQA-UHFFFAOYSA-N 420.896 5.582 0 1 HKAF CCCCCC1=C(C(=O)O)[C@@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21 13473453 NXTFWIYFQRCCLO-XMMPIXPASA-N 424.493 5.755 0 1 HKAF COc1c(Cl)cc(C2=C(c3ccc(S(C)(=O)=O)cc3)CC3(CC3)C2)cc1Cl 13745548 IXOVKZSZDFZOQP-UHFFFAOYSA-N 423.361 5.890 0 1 HKAF Cc1cc(C)c(NC(=O)N(Cc2ccccc2)Cc2cccc(-c3cc[nH]n3)c2)c(C)c1 13779998 UULJGWKYDXORCV-UHFFFAOYSA-N 424.548 6.236 0 1 HKAF CC[C@H]1C[C@@H]2NC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@@H]3[C@H]12 27302332 MASOXJRADXYGSF-CPRKLNMFSA-N 415.706 7.222 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2c(cc(C)c(O)c2C)O1 27626903 KNOLXXFWGWYXEX-UXRPBPJUSA-N 410.642 8.292 0 1 HKAF Cc1ccc(-c2nc(C/C=C/c3ccc(C[C@H]4SC(=O)NC4=O)s3)c(C)o2)cc1 29485460 YWJVIGDVQLZDKK-GNAXCBTBSA-N 424.547 5.170 0 1 HKAF CC[C@H](C)CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO 34167419 YTEYDCRHTOEYAS-GOTSBHOMSA-N 400.644 6.171 0 1 HKAF biogenic Oc1ccc2c(c1)CCc1ccc(O)c(c1)-c1cc(ccc1O)CCc1cccc(c1)O2 40394256 ZXMDLMHTDQAKML-UHFFFAOYSA-N 424.496 6.147 0 1 HKAF biogenic Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(Br)cnn4c3)cc2)c1 40406123 JBRLJYGZKRGZTQ-UHFFFAOYSA-N 422.286 5.111 0 1 HKAF CCCCCn1c(C)c(C(=O)c2ccc(CCCC)c3ccccc23)c2ccccc21 42966191 MZJYEWXYEBBSAL-UHFFFAOYSA-N 411.589 7.867 0 1 HKAF Cc1cccc2nc(-c3cccc(-c4cccc(NC(=O)c5ccncc5)c4)c3)[nH]c12 45191402 FGHLIAWSXAJZRO-UHFFFAOYSA-N 404.473 5.853 0 1 HKAF CCCCc1nnc(C2=C(C)Nc3ccnn3[C@H]2c2ccc(Cl)c(Cl)c2)o1 45320501 DTMZCDHXMAGDCW-SFHVURJKSA-N 404.301 5.362 0 1 HKAF CCN(CC)c1cc2[nH]c(C3CCCCC3)nc2cc1NC(=O)c1ccc(Cl)cc1 66100122 NZPFXNAUXZOPOQ-UHFFFAOYSA-N 424.976 6.363 0 1 HKAF Clc1ccc([C@@H](NC2CCN(c3ccc(Cl)cn3)CC2)c2cccnc2)cc1 72102240 WPRYJPOKESMACK-JOCHJYFZSA-N 413.352 5.131 0 1 HKAF CC(C)(C)c1ccc(-c2nc(CNCc3ccccc3OC(F)(F)F)co2)cc1 72102958 UVBDSYDXHWAPBE-UHFFFAOYSA-N 404.432 5.828 0 1 HKAF CC[C@H](C)Nc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc(F)cc2)n1 82164841 DXFNRJXJFYYMFX-HNNXBMFYSA-N 402.473 6.124 0 1 HKAF Cc1cccc2[nH]c(C(=O)OCc3ccccc3)c(Sc3ccc(Cl)cc3)c12 95583474 IRRASNOKCAHDLW-UHFFFAOYSA-N 407.922 6.638 0 1 HKAF Cc1ccc2[nH]c(C(=O)OCc3ccccc3)c(Sc3ccc(Cl)cc3)c2c1 95584065 FOLVVVFTVYOJDM-UHFFFAOYSA-N 407.922 6.638 0 1 HKAF CCCCNC(=O)c1cnn(-c2cccc(C)c2)c1-c1ccc(-c2ccccc2)cc1 96142781 OTPGLJQNJKUUMG-UHFFFAOYSA-N 409.533 6.045 0 1 HKAF O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2ccc(-c3ccco3)cc2)C1 96272154 IJYLNGSGWCJSNT-SFHVURJKSA-N 408.885 5.091 0 1 HKAF Cc1nn(-c2ccccn2)c2c1[C@H](c1ccccc1Cl)C1=C(O)c3ccccc3C1=N2 101564169 IOKLNOMNLLEIHR-NRFANRHFSA-N 424.891 5.778 0 1 HKAF CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1 104078130 UFBMRHXFEMMDBC-QHCPKHFHSA-N 416.521 5.312 0 1 HKAF CC1=C(/C=C\C(C)=C\C=C(C(\C)=C/C(=O)O)/c2cccc(C(=O)O)c2)C(C)(C)CCC1 111434800 XKKDQOHDTASHCE-JVNJGRFZSA-N 420.549 6.828 0 1 HKAF in-vivo CC(C)=CCC/C(C)=C/Cc1cc([C@@H]2CC(=O)c3c(cc(O)c(C)c3O)O2)ccc1O 139096243 RILNWSNLVSDZNW-SICWBLJQSA-N 422.521 6.054 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](OC(=O)c3ccc(Cl)cc3)CCC[C@@]21C 169342815 GWTKKSXIZRAPDU-BZTZPJLGSA-N 405.022 7.544 0 1 HKAF COc1ccc(Cl)cc1NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 169349276 WMXYYFAMNGLNBY-UHFFFAOYSA-N 412.839 5.779 0 1 HKAF CC(C)=CC(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1 197971103 TUYXMYVLZMCEJF-ZRDIBKRKSA-N 422.488 5.264 0 1 HKAF CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 238731824 DGZVTDWQDGXMNS-BTXQXUHPSA-N 404.679 6.439 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253636194 QASMLJURBZXYNW-AOIUOIGISA-N 401.679 6.928 0 1 HKAF Oc1ccc([C@@]2(c3ccc(OCc4ccc5ccccc5n4)cc3)C[C@H]3CC[C@H]2C3)cc1 261181393 WEASJDHFFGWSTR-LZJNWXLNSA-N 421.540 6.626 0 1 HKAF CC(C)=CCC/C(C)=C\[C@@H]1CC(=O)[C@@]2(C)C=C(/C=C\C=C(/C)CCC=C(C)C)[C@@]1(C)C2 299813954 XWYRFBXKAWNVEG-ITDKISOOSA-N 420.681 8.860 0 1 HKAF CCCN(CCC)c1cccc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)n1 299836297 MVWUOFXAHWXDOG-UHFFFAOYSA-N 422.960 6.672 0 1 HKAF O=Cc1ccc(OCc2occc2-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 586900118 DDHJUEPOAKUBSW-UHFFFAOYSA-N 402.328 5.113 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2c(C)nc(C)cc2[nH]1 586980809 AOZKOQIJMHGPIP-UHFFFAOYSA-N 402.336 5.963 0 1 HKAF FC(F)(F)Oc1cc2nc(CCc3ccccc3Cl)[nH]c2cc1Br 587059456 QSRZRWWMYNHVTC-UHFFFAOYSA-N 419.628 5.663 0 1 HKAF Cc1c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cnn1-c1ccc(Cl)cc1 587075951 OZKKTCLSQCSCJC-UHFFFAOYSA-N 411.214 6.050 0 1 HKAF Cc1cc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cc1F 587086306 FGLDHZONKVTZFT-FPLPWBNLSA-N 415.299 6.041 0 1 HKAF COC(=O)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1OC 587095019 MQISFDNJDSIRET-UHFFFAOYSA-N 418.293 5.063 0 1 HKAF Cc1nc2c(C)ccc3c2c(c1Cc1ccc(OC[C@H]2CO2)cc1)-c1ccccc1C3=O 587102566 XPQUPTZSABDIFC-FQEVSTJZSA-N 421.496 5.431 0 1 HKAF Fc1c(F)c(F)c(/C=C\c2nc3cc(Br)cc(F)c3[nH]2)c(F)c1F 587133785 CPTDIJMWJAKYPX-UPHRSURJSA-N 407.111 5.330 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(-c4cc(F)c(OC)c(F)c4)[nH]c3c2)cc1 587134709 KCCQOGRFTVRXKR-UHFFFAOYSA-N 410.376 5.096 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1F 587149385 GRUVCQCTQYYDKJ-KRWDZBQOSA-N 405.326 5.423 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(Br)c(F)c2[nH]1)C1CCCC1 587226597 RRURTGIRRZAVQI-CQSZACIVSA-N 412.303 5.221 0 1 HKAF C[C@]1(c2ccc(Br)o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323883 NJKLXQHIZSDOHG-AZUAARDMSA-N 417.230 5.161 0 1 HKAF COc1ccccc1C[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353477 QNKYJKOURNEAEX-RSXGOPAZSA-N 420.480 5.536 0 1 HKAF Cc1ccc2c(c1)[C@@]1(CCS2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587371421 DNVMXYCEZVPEJF-LADGPHEKSA-N 406.478 5.590 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3cccc(Br)c3)cc1)O2 587374351 XDHMVLNVCVRLLY-NRFANRHFSA-N 424.294 5.839 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC13CN(C(c1ccccc1)c1ccccc1)C3)O2 587398348 FAOPCAUEBWAZQJ-NDEPHWFRSA-N 424.544 5.167 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccccc3Cl)cc1)CC2=O 587460350 FIPSRDARXCOCAY-DEOSSOPVSA-N 422.908 6.284 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCc3cc(NC(=O)OC(C)(C)C)ccc31)CC2=O 587469535 JAYIIXCDEAZGBI-RUZDIDTESA-N 423.509 5.499 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc(-c3ccc(O)cc3)nc1C)CC2=O 587492336 CKLCZFSSYUJVBD-HSZRJFAPSA-N 409.507 5.363 0 1 HKAF C[C@]1(CC(=O)Nc2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587510741 XWHQHJFJBYYBNK-JOCHJYFZSA-N 417.427 5.337 0 1 HKAF COc1cccc2c1[C@@]1(C=C(c3ccccc3)O2)CC(=O)c2ccc3c(c2O1)CCCC3 587529482 AYVBBYWGYFODOZ-NDEPHWFRSA-N 424.496 5.868 0 1 HKAF O=C(Oc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1)c1cccs1 587530291 DXUARFOCUHGPNH-NRFANRHFSA-N 404.487 5.553 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(c1ccc(F)cc1)CC2 587571696 OURWNUHIQFYFMO-ADUWNVSDSA-N 404.437 5.590 0 1 HKAF Cc1ccc(C)c(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587580907 ZZUZGVAGZDWALK-OZXSUGGESA-N 411.457 5.503 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H](c1ccccc1)c1ccccc12 587605451 ZUPVYQLXGYHRLT-ZNFSXRAMSA-N 420.464 5.785 0 1 HKAF Cc1csc2sc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)c12 587616365 CPTMNTPEROOEQH-PXNSSMCTSA-N 408.500 5.988 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccc(Br)cc1 587625436 INOJMVJALCBHEC-UHFFFAOYSA-N 422.166 6.943 0 1 HKAF O=C(O)[C@@H](c1cccc(Cl)c1)c1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 587629105 UPBPMOBQAUKXCP-IBGZPJMESA-N 414.263 6.497 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCNc3cc(Cl)ccc32)N1 587692187 ATJSMUYTPHNRFH-WLRWDXFRSA-N 409.730 5.225 0 1 HKAF Cc1cc2c(cc1Cl)[C@@]1(C=CO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587692667 BMFJOJPAMZOSBN-JEOXALJRSA-N 408.698 5.234 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)c(Cl)c2)N1 587693860 KIBJSKTYPKXQTA-VVVCHXIZSA-N 403.122 5.693 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)[nH]c3ccc(Cl)cc23)N1 587694974 HUBXRKWFTNQJKW-WNWIJWBNSA-N 409.686 5.052 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C(=C/N(C)C)c2ccc(Cl)cc2)N1 587705247 YCBWQCVHHKUTFI-WCTZQBBCSA-N 423.757 5.420 0 1 HKAF Cc1ccc(OC(F)F)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587712445 AUQGFMITBICSSU-DYZYQPBXSA-N 400.238 5.122 0 1 HKAF COc1ccc(C[C@H](C)[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587726163 VLDGXJKVILSNDI-PVUDRZGPSA-N 410.302 5.190 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(F)c2)N1 587732360 MWNGLLHRXRGEED-PEBXRYMYSA-N 414.293 5.553 0 1 HKAF CC[C@H](C)c1ccc(OC)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587807321 MUZVRKFTBCWCNC-BYVOGVQKSA-N 406.339 5.734 0 1 HKAF CCCCCCc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587844442 AFMRVPQHPXKLLP-RBZFPXEDSA-N 410.396 6.396 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccc(Cl)cc2[nH]1 587856530 XNWFIRBLSGZYPT-UHFFFAOYSA-N 407.688 5.775 0 1 HKAF Cc1cc2c(cc1C)[C@]1(CCS2)N[C@H](C)Cc2cc(Br)c(F)cc21 587857633 MCUCTHRGCNCBAZ-ZUOKHONESA-N 406.364 5.479 0 1 HKAF CCc1ccc(C(=O)C[C@@]2(C(F)(F)F)c3cc(OC)ccc3CCN2C(C)C)cc1 962090935 JPUIBIQPGBUHSV-QHCPKHFHSA-N 419.487 5.555 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@@]3(c1ccsc1)c1cccc(C)c1C 963062188 WXZWRWWLXLGYBL-VWLOTQADSA-N 400.547 5.359 0 1 HKAF C[C@]1(c2ccc3ncc(Br)cc3c2)c2c(F)cccc2C[C@H]2CCCN21 963091739 AAIVDPITXQWOSW-GCJKJVERSA-N 411.318 5.420 0 1 HKAF Cc1cc(C)cc(-c2nc(O)c3c4c(sc3n2)CN(Cc2ccccc2)CC4)c1 1857571733 SMUNJBOFJAMIHJ-UHFFFAOYSA-N 401.535 5.239 0 1 HKAF C[C@@H](c1ccccc1)c1cc(=O)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2[nH]1 1857575857 AJHZDTVNCDDNPL-LBPRGKRZSA-N 417.818 5.514 0 1 HKAF Cc1cccc(-c2[nH]c(CNc3ccc(F)cc3)nc2-c2ccc3nsnc3c2)n1 1857617703 NYCBVTAWFSXLGH-UHFFFAOYSA-N 416.485 5.203 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)n(-c2ccc(-c3cn(-c4ccccc4)nn3)cc2)n1 1857747557 XHYRCJPIAZPXSR-UHFFFAOYSA-N 423.320 5.158 0 1 HKAF Cc1cc2nc(C(=O)N(C)C)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1 1857765684 PBAMQTIWNRASIX-UHFFFAOYSA-N 415.924 5.936 0 1 HKAF COc1ccc2c([C@H]3CC(c4ccncc4)=NO3)cn(Cc3ccc(Cl)cc3)c2c1 1857767164 KDPVLPOEPBIHOX-XMMPIXPASA-N 417.896 5.612 0 1 HKAF COc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)c2cccc(Cl)c2)cc1 1911576030 CVEQMRZWPLRZBH-FQEVSTJZSA-N 413.926 5.229 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356306850 KKCUYJKFHVZXJO-LJAQSXHKSA-N 414.674 6.526 0 1 HKAF CO[C@@H]1C=C(O)[C@@H]2[C@@]34CC[C@@H]5[C@H](CCC(C)C)CCC[C@@H]5[C@]3(C)[C@@](C)(CC4)[C@@]21O 2356354520 LLAHCSQLIBTNQL-AQZBBKAMSA-N 402.619 5.873 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356440280 VETZNBAGZJYCQT-OEVZHRSPSA-N 414.674 7.102 0 1 HKAF CC(=CCCc1coc(Cc2ccoc2)c1)CCC[C@@H](C)C=C1C=C(CO)C(=O)O1 2356506282 HTWYMLPJNGFCCQ-LJQANCHMSA-N 410.510 5.508 0 1 HKAF CC(C)CC=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@@]21C 2356566368 FNLULDRVESXFIV-JOXSRYROSA-N 416.646 5.108 0 1 HKAF CC(=CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356573966 ICOBDHPNAUQIMP-PGAJIAHISA-N 400.691 7.635 0 1 HKAF CC(=O)[C@@H]1C(C)(C)C[C@@H]2C[C@H](C)C[C@@H]2[C@@H](OC(=O)C=Cc2ccccc2)[C@]1(C)C(C)C 2356698821 POKZVPGYYXWMBO-LBACTNQCSA-N 424.625 6.571 0 1 HKAF CO[C@@H]1CC2=C3C=C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=C(C)C=C[C@@H](C)C(C)C 2356803772 XKDCJECDMZNERE-GXVOWLBOSA-N 424.669 7.020 0 1 HKAF CSc1cccc(CN2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)c1 12302838 ASGPCSXEGIHHST-UHFFFAOYSA-N 424.610 5.078 0 3 HKAF Cc1cccc(C)c1NC(=O)[C@@H](C1CC1)n1c(=O)c(-c2ccccc2)nc2ccccc21 95567676 MMHVQCXKVFNTGZ-RUZDIDTESA-N 423.516 5.270 0 3 HKAF CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCC2CCCCC2)cc1 2478208 CFRNYSZQAMSWRF-UHFFFAOYSA-N 422.500 5.857 0 1 HKAF C[C@@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(Cl)cc1)Oc1ccccc1-3 3831991 FOPLNUAISVOILB-PSLXWICFSA-N 403.909 6.366 0 1 HKAF CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 4215708 IIPZTAMXPAQETP-ONGXBYRLSA-N 402.535 5.779 0 1 HKAF FC(F)(F)c1cccc(Nc2nnc(-c3ccncc3CCc3ccncc3)o2)c1 14946570 UTZSTGDMFZSABT-UHFFFAOYSA-N 411.387 5.074 0 1 HKAF CCC1(CC)CN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1C 22938002 SWKUTDHWEYGQHY-GMAHTHKFSA-N 400.969 5.862 0 1 HKAF CCOc1ccc(-n2c(C)c3c(C)nnc(-c4ccc(OC)cc4OC)c3c2C)cc1 28264318 KBNAYIOHRBFVTC-UHFFFAOYSA-N 417.509 5.429 0 1 HKAF Fc1cccc(COc2ccc(Nc3ncnc4nn5ccccc5c34)cc2Cl)c1 28331194 XYKNCRFMAKMJKI-UHFFFAOYSA-N 419.847 5.393 0 1 HKAF Nc1nc2nc(SCc3cccc(Oc4ccccc4)c3)nc(Cl)c2s1 28568802 BBRPBHRKHWZOSQ-UHFFFAOYSA-N 400.916 5.407 0 1 HKAF O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(-c2ccccc2)cc1 37133285 LCEHUZPPJOMVIZ-UHFFFAOYSA-N 424.466 5.377 0 1 HKAF CC(C)N(C)c1ccc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)cnc2n1 40972750 KFVTWYNIPOJKRH-UHFFFAOYSA-N 416.447 5.065 0 1 HKAF C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@H]2CC[C@H]1C 40974686 PGJJEFIRPZZQMS-CJKXXWDTSA-N 412.702 7.635 0 1 HKAF C[C@H](Cc1ccc(Oc2ccc(Cl)cc2)cc1)NC[C@@H](O)c1cccc(Cl)c1 45168260 JCGKIQWEEKFZIX-WAIKUNEKSA-N 416.348 6.040 0 1 HKAF O=C(Nc1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)s2)c1)c1cccnc1 45334568 KWTIPCBQMIHYDS-UHFFFAOYSA-N 414.465 5.745 0 1 HKAF CCCCc1nnc([C@H]2C(C)=Nc3ccnn3[C@@H]2c2ccc(Cl)c(Cl)c2)o1 58487693 HDVMLGABIRENIG-ZWKOTPCHSA-N 404.301 5.395 0 1 HKAF Cc1cccc(OCc2ccccc2-c2nnc(-c3cccc(Br)c3)o2)c1 64447281 QRJLQRJKZBFCDU-UHFFFAOYSA-N 421.294 6.054 0 1 HKAF O=C1OC2(CCC(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 64559321 PCHSBHFUNRPEPB-UHFFFAOYSA-N 415.415 5.635 0 1 HKAF CCN(Cc1coc(-c2cccc3ccccc23)n1)[C@H]1CCN(Cc2ccccc2)C1 72182244 HDFXKMBLYYDZEX-DEOSSOPVSA-N 411.549 5.591 0 1 HKAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccc(F)cc3)n2)C1 82139329 YFRQIYOWFIQVGD-HDICACEKSA-N 424.564 5.075 0 1 HKAF CCOP(=O)(OCC)[C@H](Cc1cccc(Cl)c1)c1sc2ccccc2c1C 84616178 VYCSXGOXFKKRTJ-LJQANCHMSA-N 422.914 7.413 0 1 HKAF O=C1C[C@H](c2nc(-c3ccc(Cl)cc3)no2)CN1c1ccc(Cl)c(Cl)c1 84688504 LHIIZLLVSPVGMS-NSHDSACASA-N 408.672 5.217 0 1 HKAF CC(C)c1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)n(Cc2ccccc2)n1 96273831 YGPDZYXOJUDAIU-UHFFFAOYSA-N 402.420 5.718 0 1 HKAF O=C(Nc1nc2c(ccc3ccccc32)s1)Nc1cc(C(F)(F)F)ccc1Cl 103293630 LVERGVHQUSGWOA-UHFFFAOYSA-N 421.831 6.766 0 1 HKAF CC[C@]12CCCN(Cc3ccccc3)[C@H]1c1c(n(C)c3ccccc13)[C@@H](C(=O)OC)C2 105503701 YFCBXMUGKAVGTO-IDNYDCHQSA-N 416.565 5.572 0 1 HKAF COc1ccc2c(c1)[C@@H](Nc1cc(-c3ccc4ncsc4c3)nc(C)n1)CCC2 205345491 HHGGJCLBZDTVKC-IBGZPJMESA-N 402.523 5.560 0 1 HKAF CC(C)(C)Nc1c(-c2cccc(Cl)c2)nc2c(Br)cc(Cl)cn12 207083469 NVJRTSJVHGFIRF-UHFFFAOYSA-N 413.146 6.281 0 1 HKAF CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 215462855 FHHFCZVBBXBYQL-BFADUXHKSA-N 416.646 5.539 0 1 HKAF O=c1c(Cc2coc3cccc(OCc4ccccc4)c3c2=O)coc2ccccc12 299826825 OCRNYRQXPHRHMH-UHFFFAOYSA-N 410.425 5.069 0 1 HKAF CC(C)c1cc(-c2nc3cc(I)cnc3[nH]2)c(O)c(C(C)C)c1 586895990 FGCMDWLEUIRUML-UHFFFAOYSA-N 421.282 5.182 0 1 HKAF COc1cc(OC)c2[nH]c([C@@H](Cc3cccc(Br)c3)CC(C)C)nc2c1 586981482 CZFVGVYILZEXPG-OAHLLOKOSA-N 417.347 5.715 0 1 HKAF CC(C)COc1cc2nc(CSCc3ccsc3)[nH]c2cc1Br 587024446 AEADDQAHHXDYKV-UHFFFAOYSA-N 411.390 5.855 0 1 HKAF CC(C)COc1cc2nc(-c3csc4c3CCOC4)[nH]c2cc1Br 587032327 SYXRYXLVSWQTKS-UHFFFAOYSA-N 407.333 5.161 0 1 HKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587044740 QMRNDQNBEBAJEI-UHFFFAOYSA-N 415.276 6.346 0 1 HKAF Fc1c(Br)ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587047695 APAJHYAYDNOMKM-HTQZYQBOSA-N 400.078 6.042 0 1 HKAF CCOC(=O)[C@@H]1Cc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)-c2ccccc21 587099286 XXZVMCALPZQXST-OAQYLSRUSA-N 419.480 5.624 0 1 HKAF Cc1cc(Br)cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587132184 MDRTVPQKLYDUTP-NSCUHMNNSA-N 403.148 5.500 0 1 HKAF Fc1cc(Br)cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 587161371 QPHWUDBKUBKSLP-UHFFFAOYSA-N 404.464 5.547 0 1 HKAF C[C@H](Oc1ccc(F)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 587169512 YDLCCDCEOGGOHL-QMMMGPOBSA-N 414.072 5.367 0 1 HKAF CC(C)Oc1ccc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2c1 587229134 AABBUXITVSLCSY-UHFFFAOYSA-N 422.529 5.314 0 1 HKAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3cnc4ccccc4c3[nH]2)c(C2CC2)n1 587232172 MLFFFPZJOGPJTP-UHFFFAOYSA-N 415.497 5.075 0 1 HKAF COC(=O)CCCC[C@H](C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346953 CTNWYWDRRYKARF-PPYUERFYSA-N 414.473 5.018 0 1 HKAF Cc1ccccc1C[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357923 WRNITQLNXHNTHI-AZGAKELHSA-N 402.465 5.590 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@H](c3ccccc3)N(C)[C@@H](c3ccccc3)C1)O2 587392530 BLNFQAVZYDXKAP-DNQXCXABSA-N 412.533 5.489 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccccc1OCc1ccc(Cl)cc1)[C@@H](C2)C3=O 587420912 JZFUBBZZDYFGIV-NBGIEHNGSA-N 420.892 5.590 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC2=O 587479822 CQXLSNPOXJHQNO-MHZLTWQESA-N 424.581 6.526 0 1 HKAF CC[C@@]1(c2cc(F)c(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587556376 JMVVJAGCTZCNGB-GCJKJVERSA-N 400.352 5.077 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2sccc2nc1Cl 587618059 MHFOMMQZCAMICK-YLJYHZDGSA-N 409.850 5.358 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(OC(F)F)c3)c(C(=O)C(=O)OC)c2c1 587640108 BYHIPJQHAGMLSI-GFCCVEGCSA-N 401.409 5.306 0 1 HKAF CCOC(=O)c1c(C2CN(C(=O)OC(C)(C)C)C2)[nH]c2ccc([C@@H](C)CC)cc12 587644022 ZBMLBACKNHJKIR-AWEZNQCLSA-N 400.519 5.192 0 1 HKAF CC[C@H](C)n1nc(C)c(Cl)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587695988 KJPCTSAZGOIJJQ-KEYDSSBGSA-N 414.750 5.341 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2CCCCF)N1 587720650 TYWQARHHRYSHOC-LHSJRXKWSA-N 408.330 5.678 0 1 HKAF CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)C 587799731 CFXJJPUNIHFUTP-LRTDBIEQSA-N 406.339 5.734 0 1 HKAF COc1ccc2c(c1)CCCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587810577 SZSWJIRFPBBKGT-ZSEKCTLFSA-N 404.323 5.101 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)-c2ccccc2C3)N1 587816188 VDJKJAINIVZXDX-JBEBIEQOSA-N 422.341 5.957 0 1 HKAF CSc1scc2c1[C@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587852662 MQAPSJQJHHAJOK-XTZNXHDOSA-N 412.393 5.486 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(Cl)cc2[nH]1 587949033 MPZNOLAOSOHYDV-ULYRPOKDSA-N 410.945 6.501 0 1 HKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3c(I)cnc(Cl)c3[nH]2)C1 587968337 AGTFKFQEDCXAQF-RKDXNWHRSA-N 403.695 5.146 0 1 HKAF Cc1cccc(-n2cccc2[C@@H]2c3ccsc3CCN2Cc2cccn2C)c1C 962368423 AQWQXMPQZPQORN-VWLOTQADSA-N 401.579 5.642 0 1 HKAF COc1ccc([C@]2(c3c(C)cccc3C)NCCc3cc(-c4ccccc4)ccc32)cc1 962667859 WKPIVRLZWPTUAK-PMERELPUSA-N 419.568 6.417 0 1 HKAF Cc1cccc(-n2c(C)c(C)c([C@@H]3c4ccsc4CCN3Cc3ccco3)c2C)n1 962702509 AKFVIEFLFITWPM-VWLOTQADSA-N 417.578 5.908 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(F)cc2)(c2cc(Cl)cs2)N1 962958410 PWFSQXHVLROELY-SBUREZEXSA-N 410.945 6.238 0 1 HKAF C[C@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1 1772628780 SAZKXOYARLGAAI-YSLQJDTESA-N 407.573 6.750 0 1 HKAF O=C(Nc1nc2cc(-c3cccc(C(F)(F)F)c3)ccn2n1)c1cccc(Cl)c1 1857553376 QKTKKSHUGXGCOO-UHFFFAOYSA-N 416.790 5.321 0 1 HKAF CC(C)(C)CN(Cc1cccc(CN)c1)C(=O)c1ccc(-c2ccc(F)cc2)nc1 1857567326 VOMMNJDZTXSPCH-UHFFFAOYSA-N 405.517 5.035 0 1 HKAF CCCCCCC(=O)Nc1ccc2c(c1)CCC[C@H]2Cc1ccc(C(F)(F)F)cc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c1ccccc1 2356690951 RNIHHPVQKRWFSE-VWLOTQADSA-N 400.603 6.858 0 1 HKAF O=C(Nc1ccc2ccccc2c1)c1ccc(C(=O)Nc2ccc3ccccc3c2)nc1 1505385 NHQACCORVKGYER-UHFFFAOYSA-N 417.468 5.893 0 1 HKAF CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCC2CCCCC2)cc1 2482280 ZKQSMIHYRNBZNY-UHFFFAOYSA-N 422.500 5.857 0 1 HKAF Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3cccn3-c3ccccc32)cc1 13534505 IFGVBYDQWGVPMA-UHFFFAOYSA-N 421.500 5.241 0 1 HKAF COc1ccc(-c2c(SCc3ccncc3)oc3cc(OC)ccc3c2=O)cc1 13581378 SXRYBTCTRUEJJT-UHFFFAOYSA-N 405.475 5.165 0 1 HKAF COc1cccc(CO[C@@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 27546727 TXDIYPDUXRZWER-WUFINQPMSA-N 413.561 5.507 0 1 HKAF CC(C)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CC[C@@H]1CC(=O)O 29053848 DOSUNTLXOHFGFH-CYBMUJFWSA-N 417.933 6.670 0 1 HKAF COc1ccc(C(=O)Nc2cc(Cl)c3c(c2)[C@@H]2CCCN2CC3)cc1C(F)(F)F 34048709 ANKOSTNETDBKDL-SFHVURJKSA-N 424.850 5.313 0 1 HKAF COC(=O)[C@H](Oc1ccc2c(c1)CCCC2)c1ccc(Oc2ccc(Cl)cc2)cc1 39242718 RYTVXBPOBAKECO-XMMPIXPASA-N 422.908 6.304 0 1 HKAF COc1cc2nc(NCCc3ccccc3)nc(NC3CCCCCC3)c2cc1OC 40836083 SSTOKBSARNNEKV-UHFFFAOYSA-N 420.557 5.436 0 1 HKAF CC(C)c1nc(N)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2n1 40878058 URQPZKHZNDMWGZ-UHFFFAOYSA-N 409.320 6.371 0 1 HKAF CC1(C)CCCC(C)(C)N1CCCCCCCCCCN1C(C)(C)CCCC1(C)C 45371803 WGSWBLSPUHPABQ-UHFFFAOYSA-N 420.770 8.193 0 1 HKAF Cc1ccccc1[C@](O)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F 49088126 IASGLGXDAWKFKO-OAQYLSRUSA-N 400.375 5.271 0 1 HKAF Cc1ccc([C@H](c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(O)ccc3ccccc23)cc1 72118254 IRXRZSTWTGABCP-AREMUKBSSA-N 420.512 5.821 0 1 HKAF COc1cc2nc(NCC3CCCCC3)nc(NCc3ccc(C)cc3)c2cc1OC 82130787 FWQGKYCNFNFEAN-UHFFFAOYSA-N 420.557 5.560 0 1 HKAF c1csc(-c2nc3c(NC4CCCCCC4)ncnc3n2CCN2CCCCC2)c1 82189952 PYAYZIJOYYFROW-UHFFFAOYSA-N 424.618 5.175 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\C[C@@H](O)CC\C3=C\F)CCC[C@@]21C 102193684 GBYUWSOLZWQQPT-IJIBJWTQSA-N 402.638 7.916 0 1 HKAF CC(C)(C)NC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1-c1ccccc1 142601245 FQQHMRSWVZMRCH-HSZRJFAPSA-N 416.496 5.105 0 1 HKAF COc1ccc(/C=C2\CCC[C@H]3C2=Nc2ccccc2N=C3c2ccc(OC)cc2)cc1 169730637 MSQOQARQZJBFHE-AXCOVZPISA-N 422.528 6.794 0 1 HKAF O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2ccc(F)cc2)cc1 216053379 ZZNUHICVJZHONP-UHFFFAOYSA-N 406.888 5.524 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C=C(CO)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 253634062 ACLUPLRKEIYGOI-RIJSWXIHSA-N 413.646 5.739 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@H]1CC3 261516996 CYEADWAQMXQSDD-MZPLJAFYSA-N 400.691 7.923 0 1 HKAF CCCC[C@H](OC(C)=O)c1ccccc1C(=O)Oc1cc(C)nn1-c1ccccc1 474609878 WNHRXNZLIHWFQD-QFIPXVFZSA-N 406.482 5.194 0 1 HKAF Cc1ccccc1-n1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cn1 586987385 OCCAVNWKMAXQQG-UHFFFAOYSA-N 403.441 5.313 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(-c4ccccc4)s3)nc3ccc(O)c1c23 586993985 NUFKZJDYFGCFCR-UHFFFAOYSA-N 405.478 6.547 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)cccc4[nH]3)c21 587031628 UFUBXERWKYXUPR-LBPRGKRZSA-N 412.356 6.284 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5cc(C)c(F)cc5[nH]4)c23)cc1 587040316 YHFGQSSYROECEF-UHFFFAOYSA-N 420.538 6.283 0 1 HKAF C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cnccc2[nH]1 587055296 OFVHUDBPGYPUFT-LBPRGKRZSA-N 400.265 6.197 0 1 HKAF COC(=O)c1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1 587055491 HULRMFAHMPVVNX-UHFFFAOYSA-N 417.248 5.495 0 1 HKAF FC(F)(F)c1ccc(Oc2ccc(-c3nc4c5c(ccc4[nH]3)CCCC5)cc2)cc1 587112681 PYYPPHCMZRFBCV-UHFFFAOYSA-N 408.423 6.920 0 1 HKAF COC(=O)c1cccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587158684 JWZLQYPJCPLLPD-FQEVSTJZSA-N 410.832 5.310 0 1 HKAF CC(C)COc1cc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1Br 587164407 UTGJKISJWYCSLN-LJQANCHMSA-N 420.326 5.150 0 1 HKAF CCCC[C@@H]1Cc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355090 SFRYGXXWYGRCTB-WMTVXVAQSA-N 416.492 6.148 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1cc4c(cc1C)C(C)(C)[C@H](C)CC4(C)C)[C@@H](C2)C3=O 587445122 HZMQVBNCWGINBL-XLMXUNNDSA-N 418.577 6.261 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCc3cccc(Br)c31)CC2=O 587459885 QJWQONGZLBDLTQ-OAQYLSRUSA-N 401.300 5.304 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C(=O)c1ccccc1)(c1ccc(C)c(C)c1)CC2=O 587491626 XTWUBKVJXOYOMJ-HHHXNRCGSA-N 414.501 5.705 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc(-c3ccc(Cl)cc3)s1)CC2=O 587496737 TVRQRPJHGKUJRG-JOCHJYFZSA-N 413.926 6.002 0 1 HKAF O=C1C[C@H](c2c(F)cc(Cl)cc2Br)Oc2c1ccc1c2CCCC1 587503626 IDJGMUVBEOJRHG-QGZVFWFLSA-N 409.682 5.827 0 1 HKAF O=C1C[C@@H](c2c(-c3ccc(F)cc3)nc3sccn23)Oc2c1ccc1c2CCCC1 587508606 QBGAWJXVEMNXBL-FQEVSTJZSA-N 418.493 5.787 0 1 HKAF O=C(O)c1ccccc1C[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587528857 FMLFFNVPYWFOOP-HHHXNRCGSA-N 412.485 5.367 0 1 HKAF O=C1C[C@]2(CC[C@@H](c3ccccc3)c3ccc(O)cc32)Oc2c1ccc1c2CCCC1 587529389 BFPCWYQFSDSJKK-KMRXNPHXSA-N 410.513 6.057 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1ccc(Cl)cc1 587545001 FXSHUMCJNWTREV-WMZHIEFXSA-N 418.836 5.139 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2)c(F)c1 587556754 ZSHKBUCOHJKSEX-BVAGGSTKSA-N 412.416 5.901 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1ccc(F)cc12 587572863 XEHPMPHSSWXFII-OZXSUGGESA-N 410.400 5.417 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1C1CCCCC1 587601476 GKMRKVATZIDTRH-OZXSUGGESA-N 400.474 6.143 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cc2ccccc2)s1 587614162 RJJJSMSBUKDVJF-WIOPSUGQSA-N 414.482 5.747 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(O)cc2Cl)N1 587693162 MJJUSZWVUKOLJI-HYORBCNSSA-N 405.094 5.224 0 1 HKAF CCCOc1ccc(Cl)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587697887 PLWGVEBDIWVFFC-JEOXALJRSA-N 412.730 5.654 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3cccc(Cl)c3)no2)N1 587704481 UWVQOOFRJCZJIS-DGIBIBHMSA-N 421.697 5.520 0 1 HKAF Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cccc1C(F)(F)F 587710324 FVMVYFVWKFFCSL-XLFHBGCDSA-N 402.229 5.539 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2C(F)(F)F)N1 587713288 SKPNUNXJDWMLQL-QGHHPUGFSA-N 402.229 5.405 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(SC(F)F)cc2)N1 587716614 JTKKXBPUZZLTLN-MGNBDDOMSA-N 416.306 5.701 0 1 HKAF Cc1ccc([C@@]2(c3ccco3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587825500 ACCVFJUWHKZYMV-IVZQSRNASA-N 414.318 5.624 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc3ccccc3o2)(C2CC2)N1 587832779 KXMDNJLPZUNKOJ-XUSGNXJCSA-N 400.291 5.522 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC/C2=C\c2cccs2)N1 587852620 MDRFEAVLCFUOQD-KXDHCOOGSA-N 406.364 6.037 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2c(s1)CCCC2 587864987 XNSZPAYZFKGYNP-UHFFFAOYSA-N 406.429 5.206 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1ccc(F)cc1F 587865180 RUVBBVGIRGYMMX-UHFFFAOYSA-N 410.342 5.129 0 1 HKAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(-c4ccc(OC)c(OC)c4)cc3)nc2c1 587928522 IIUFWDPMMOOZCE-UHFFFAOYSA-N 416.477 5.020 0 1 HKAF COc1ccccc1-c1ccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)cc1 587933287 VSTCLYULOYFLPS-UHFFFAOYSA-N 414.690 5.716 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c2)cc1 587936681 YGSNNRAHQXDALP-UHFFFAOYSA-N 413.702 6.321 0 1 HKAF COc1cc([C@@H]2NCCc3cccc(-c4ccccc4)c32)cc(Br)c1O 962666858 LYLIUISSPGMWBA-NRFANRHFSA-N 410.311 5.065 0 1 HKAF Cc1cccc(CC[C@@]2(C)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c1 963184323 RAJXRLANELDKDQ-UYAOXDASSA-N 411.851 5.114 0 1 HKAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1ccc(F)cc1)c1cc(Cl)cs1 963643321 ZRZBHSYFEXFWSH-MCMMXHMISA-N 417.933 5.384 0 1 HKAF Cc1ccc(NCc2cn(-c3ccc(C(=O)O)cc3)nc2-c2ccccc2)cc1Cl 1772571772 CVOJHOCEDCTVLZ-UHFFFAOYSA-N 417.896 5.811 0 1 HKAF Oc1ccc2c(c1)Cc1c(-c3ccccc3O)cc(-c3cccc(C(F)(F)F)c3)nc1-2 1857550239 QSJSONIDQPGMKB-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)O)cc4)cc3n2)cc1Cl 1857604757 IRWJVWMXNBYAEJ-UHFFFAOYSA-N 408.841 5.037 0 1 HKAF Fc1cccc2c1[C@@H](C1CCN(c3ccc(-c4ccncc4)cc3)CC1)n1cncc1-2 1857605184 OHOFRSZOPPTEEB-AREMUKBSSA-N 410.496 5.571 0 1 HKAF CCOP(=O)(OCC)[C@H](Nc1ccc(F)cc1)c1cc2cc(C)ccc2nc1O 1857775179 GIXBTPQFWPWXCA-NRFANRHFSA-N 418.405 5.765 0 1 HKAF CC(C)[C@@H](C)C[C@@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356440376 ZHZKWZJLUNXOSN-YKVPGKRZSA-N 418.706 6.685 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]([C@H](C)C=CCC(C)C)[C@@H](O)C[C@H]12 2356790665 FVJIHTMQQWXGDJ-QFNZUQKGSA-N 414.630 5.646 0 1 HKAF CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12 1535097 RBSLTMXDXGLXQQ-UHFFFAOYSA-N 403.353 6.333 0 1 HKAF Clc1cccc(-c2nnc(-c3nn(-c4ccccc4)c4nc5ccccc5nc34)o2)c1 1622954 MTYANSFNPUYOIA-UHFFFAOYSA-N 424.851 5.339 0 1 HKAF COc1cc(O)cc(O)c1C(=O)[C@@H]1CC=C(CCC=C(C)C)C[C@@H]1c1ccccc1 13410510 YYSABONYZSVCIV-FGZHOGPDSA-N 406.522 6.156 0 1 HKAF biogenic CO[C@@H](c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc2cc(C(=O)O)ccc2c1 13604264 HPPASAIRMDHNEE-XMMPIXPASA-N 402.534 6.623 0 1 HKAF CC[C@@]1(c2ccc(CCc3ccccc3)cc2)Oc2ccccc2-n2cccc2C1=O 13675362 YCAYBIHPNVWLEJ-NDEPHWFRSA-N 407.513 6.143 0 1 HKAF COc1ccc2c(c1NC(=O)C(C)(C)CCCCCCc1ccccc1)OCCC2=O 13742727 HTULFNKKSVCTRL-UHFFFAOYSA-N 423.553 5.818 0 1 HKAF COc1ccc(-c2c(-n3ccnc3)oc3cc(OCc4ccccc4)ccc3c2=O)cc1 14946796 QPTRWYFTUZRBMT-UHFFFAOYSA-N 424.456 5.233 0 1 HKAF O=C(O)C1=C(C(=O)Nc2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)CCC1 28523360 XSQHOGXKEBMGHR-UHFFFAOYSA-N 424.255 5.215 0 1 HKAF C[C@]1(C(=O)CC(=O)C23CC4CC(CC(C4)C2)C3)CCC[C@]2(C)c3ccccc3CC[C@@H]12 28526370 FYECAKXFUFMVEN-RRWSZUJYSA-N 418.621 6.442 0 1 HKAF Cc1cc(-c2ccc3c4c([nH]c3c2F)-c2ccc(C3=NCCN3)cc2CC4)ccc1F 40408913 UYVZKXWOBZOKSI-UHFFFAOYSA-N 413.471 5.537 0 1 HKAF Clc1cc(Cl)c(Cl)c(-c2nnc3sc(COc4ccccc4)nn23)c1 40861245 PSMASCIQTBMORW-UHFFFAOYSA-N 411.701 5.392 0 1 HKAF Cc1ccc2nc(-c3ccc(C(=O)NCc4ccc(Cl)c(Cl)c4)cc3)[nH]c2c1C 45230692 USWXQJABBISSTH-UHFFFAOYSA-N 424.331 6.084 0 1 HKAF COc1cc2ncnc(Oc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1OC 64436927 DHQJQTUHXYIGKP-UHFFFAOYSA-N 416.437 5.083 0 1 HKAF CCCCc1ccc(-c2cc(NCc3cccc(OC(F)(F)F)c3)ncn2)cc1 82162059 MJPHITFZUVBPCS-UHFFFAOYSA-N 401.432 5.997 0 1 HKAF c1ccc(CNc2ncnc3c2nc(C2CCCCC2)n3CCc2ccccn2)cc1 82178454 FMYDHISQDYYAEP-UHFFFAOYSA-N 412.541 5.124 0 1 HKAF CCN(CC)CCC[C@@H](C)Nc1ccnc(COc2ccc(Cl)cc2Cl)c1 95607689 ZEVSLEQLJVFJSC-MRXNPFEDSA-N 410.389 5.890 0 1 HKAF O=C1/C(=C(\c2ccccc2)c2ccc(Cl)cc2)c2ccccc2N1Cc1ccccc1 96270358 WJCHQNHAZNJMNW-CYYJNZCTSA-N 421.927 6.846 0 1 HKAF Nc1ccc2c(c1)/C(=C(/Nc1ccc(CN3CCCCC3)cc1)c1ccccc1)C(=O)N2 103298086 MVAZIRAADYQTCT-QPLCGJKRSA-N 424.548 5.187 0 1 HKAF C[C@@H](c1ccc(-c2ccccn2)cc1)N1CC[C@](CCCO)(c2ccccc2)OC1=O 114920850 GQELDQNCFLLRTB-RXFWQSSRSA-N 416.521 5.320 0 1 HKAF COc1cccc(-c2c(S(=O)(=O)c3cccc(F)c3)cnc3c(F)cccc23)c1 115924233 IGPWGRIUZFYSLI-UHFFFAOYSA-N 411.429 5.021 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](CO)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 139801851 UFSXLKIYCIVODX-JKEMPKLGSA-N 416.734 7.962 0 1 HKAF C[C@H](C(=O)O)C1CCC2(CC1)CCN(c1cc(OC(F)(F)F)ccc1Cl)CC2 209053347 PNMXEYQRELYHRR-ZDUSSCGKSA-N 419.871 5.736 0 1 HKAF Cc1c(-c2ccccc2Br)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586994307 XTDMWYWSRVRCME-UHFFFAOYSA-N 414.302 6.493 0 1 HKAF Cc1cccc2[nH]c(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCC4)nc12 587030782 LBWSNOPXEXRISJ-UHFFFAOYSA-N 407.926 5.994 0 1 HKAF CC(C)COc1cc2nc([C@@H](O)c3ccccc3Cl)[nH]c2cc1Br 587059723 UNFVFJAVGGDVSK-KRWDZBQOSA-N 409.711 5.095 0 1 HKAF FC(F)(F)Oc1cc(Br)cc2nc(CCc3ccccc3Cl)[nH]c12 587059971 WOLIDKCFPWDNTA-UHFFFAOYSA-N 419.628 5.663 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Cl)cc(F)c2[nH]1)c1cccc(Cl)c1 587069565 CYVQVNNWVQCHCI-HNNXBMFYSA-N 424.303 5.817 0 1 HKAF COCCn1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c2ccccc21 587098943 UXPIHHCOCULJHK-UHFFFAOYSA-N 418.496 6.023 0 1 HKAF Cc1cc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c2cc1Cl 587113322 HLGNIBHJVSHMPA-UHFFFAOYSA-N 413.852 5.415 0 1 HKAF Cc1cc(Cl)cc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc12 587114665 WHAYWSKTUGHTFO-UHFFFAOYSA-N 402.803 7.003 0 1 HKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1F 587151098 GDQYQZIECRTJDN-IUCAKERBSA-N 417.175 5.894 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cccc(C(F)(F)F)c3[nH]2)c1 587158092 IVJWXZNDZPGVOM-UHFFFAOYSA-N 400.375 5.987 0 1 HKAF Fc1ccc(-c2cnn(Cc3nc4cc(Br)cc(Cl)c4[nH]3)c2)cc1 587164951 FWEXSRLCDJPYEK-UHFFFAOYSA-N 405.658 5.030 0 1 HKAF C[C@]1(c2occc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319798 DBXGMOPUPJDDFA-PXNSSMCTSA-N 417.230 5.161 0 1 HKAF C[C@@]1(c2c[nH]c3nccc(Cl)c23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329423 MDKFMCGNBWEDSP-REWPJTCUSA-N 422.843 5.335 0 1 HKAF CC[C@@H](C)Oc1c(Cl)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587418648 AKUSBEMVULYISS-OGXQQIFESA-N 402.874 5.023 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1OC(C)C)CC2=O 587456920 CKVKIVSBEMKMHW-FQEVSTJZSA-N 419.315 5.601 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3c(Br)cc(C)cc13)CC2=O 587460695 VQSCPQSHTRDWPL-LJQANCHMSA-N 414.299 5.603 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cc(Cl)c1OC(F)F)CC2=O 587464978 DGDXXRGAVZVBMT-INIZCTEOSA-N 417.235 5.959 0 1 HKAF O=C1C[C@@H](c2cnc(-c3ccc4ccccc4c3)nc2)Oc2c1ccc1c2CCCC1 587516808 ZWOAMSUONOUBIQ-VWLOTQADSA-N 406.485 5.882 0 1 HKAF CC(C)(C)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587529342 ABFHIMGAECRKJB-RUZDIDTESA-N 400.518 6.829 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cc(F)c(Cl)c1F 587553434 AYFOUXVIQIYBAM-YWZLYKJASA-N 406.743 5.166 0 1 HKAF Fc1ccc2c(Oc3ccc4c(c3)CCC4)c(-c3ccc(Cl)c(Cl)c3)[nH]c2c1 587632421 BKHRPPTVLIVTEK-UHFFFAOYSA-N 412.291 7.562 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)c(Cl)c2)N1 587697844 UPNPHBIRDBDHLB-HUTHGQBESA-N 403.122 5.693 0 1 HKAF COc1ccc(C(F)(F)F)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587711758 LZQNVYHNILGZJA-XLFHBGCDSA-N 418.228 5.239 0 1 HKAF COc1ccc(C(F)(F)F)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587713697 UKBVJJPTPSHETM-HUTHGQBESA-N 418.228 5.239 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccccc2F)N1 587727333 NYCWQNWUKMLVOQ-YUNKPMOVSA-N 403.270 5.142 0 1 HKAF CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(N)ncc2[nH]1 587957572 NXUYYVOQKASLEJ-UHFFFAOYSA-N 414.682 7.980 0 1 HKAF C[C@H](CCCNc1ccnc2cc(Cl)ccc12)NCC12CC3CC(CC(C3)C1)C2 653715973 CRQKKSDHSTWOGY-KNEUKCCGSA-N 412.021 6.275 0 1 HKAF CCCCCC1(C(C)=O)CCC2(CC1)c1cccc(F)c1CCN2[C@@H]1CCSC1 962720757 WNNIILIIVAFTFD-NWSMCOELSA-N 417.634 6.114 0 1 HKAF COc1cccc2cc3c(nc12)[C@@](c1cccc(Cl)c1)(c1ccccc1C)NCC3 963067787 OJYUKGYJHOGIEA-AREMUKBSSA-N 414.936 5.643 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccc(OC)c(OCc2ccccc2F)c1 963229732 OZNAAUFSFZCEEY-PPHZAIPVSA-N 419.540 6.159 0 1 HKAF C[C@@H]1C[C@@H]1C(=O)Nc1cccc(Cc2ccc3c(/C=C/c4ccccc4)[nH]nc3c2)c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c1ccc(C(F)(F)F)cc1)O[C@@H]1CCC12CCC(c1ccccc1)CC2 96019242 PYMHBSKEKQPHMZ-LVKMRUPZSA-N 403.444 6.761 0 3 HKAF C[C@@H](CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2[C@@H](C)CS1 13455734 CDHDXFFFAFVYKB-HOTGVXAUSA-N 412.570 6.923 0 1 HKAF Fc1ccc(C(CCCNCc2cccc(-n3cccn3)n2)c2ccc(F)cc2)cc1 13782313 DGOXEPJQFSTIMR-UHFFFAOYSA-N 418.491 5.247 0 1 HKAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@](C)(Cc3c[nH]c4ccccc34)[C@H](C)CC[C@@]21C 14684968 ZEETTZHRLKVSNU-HYRABNETSA-N 405.626 7.184 0 1 HKAF biogenic C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@H](O)c1ccc2ccccc2c1 14970203 UGESQOSTAUBIRP-KZQOYIJHSA-N 424.519 6.254 0 1 HKAF Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(C3=CCNCC3)cc2)cc1 27204622 IVTZIFNECBQKHV-LOSJGSFVSA-N 417.530 5.442 0 1 HKAF C(\CCc1ccccc1)=C(/c1ccccc1)C1CCN(CCCCc2ccccc2)CC1 28224794 IKBLSVSVBDQYLJ-YQYKVWLJSA-N 423.644 7.438 0 1 HKAF Cc1cc(Br)cc(COC[C@H](N)C(c2ccccc2)c2ccccc2)c1 29554923 AOUOEYLYUIJTPB-QFIPXVFZSA-N 410.355 5.434 0 1 HKAF CC1=C(O)/C(=C/[C@@H](C)CCC/C(C)=C/CC[C@](C)(O)CCCc2ccoc2)OC1=O 34215645 QFBUNOKEKXMSCV-GBUAOYERSA-N 416.558 6.159 0 1 HKAF in-vivo O=C(Nc1oc(-c2ccccc2)nc1-c1ccccc1)c1cccc(C(F)(F)F)c1 35272343 CYDQQVIUUHRGIQ-UHFFFAOYSA-N 408.379 6.280 0 1 HKAF CC(=O)c1c(Nc2ccc(Cl)cc2Cl)[nH]c2c(C(F)(F)F)cccc2c1=O 40424094 SIWWHXOBPZKWTJ-UHFFFAOYSA-N 415.198 5.800 0 1 HKAF CCCCc1c(C)nc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)nc1C 40973275 IQSQIYKHMNUXGZ-GOSISDBHSA-N 410.370 5.521 0 1 HKAF COc1ccc(-c2nc3ccc(Oc4ccccc4)cn3c2NC2CCCC2)cc1O 43120512 CEPFFXRJMHAZDZ-UHFFFAOYSA-N 415.493 5.862 0 1 HKAF Fc1cccc(F)c1-n1c(-c2cccc(Cl)c2)nn(CN2CCCC2)c1=S 66100785 SUWAWZQBOMWIIU-UHFFFAOYSA-N 406.889 5.055 0 1 HKAF O=C(NCC1CCCCC1)c1cnc(NCC2CCCCC2)nc1-c1ccc(F)cc1 82136306 FPDDTWDWDYXGTD-UHFFFAOYSA-N 424.564 5.585 0 1 HKAF Cc1ccccc1-c1nc(NCCc2ccc(F)cc2)ncc1-c1nc(C)c(C)s1 82221553 PYFBDPLCNZSPOV-UHFFFAOYSA-N 418.541 5.986 0 1 HKAF COc1ccc(N2C(=O)CS[C@H]2c2sc(-c3ccc(Cl)cc3)nc2C)cc1 95558727 LVOJXQGSTVEWHK-FQEVSTJZSA-N 416.955 5.559 0 1 HKAF CC(C)=CCC/C(C)=C/CC[C@@H](C)[C@@]1(C)CC[C@H]2C1=CC[C@@H]1C(C)(C)CCC[C@]21C 95914465 YURSMGRVNUWHIG-POJRPTBCSA-N 410.730 9.674 0 1 HKAF biogenic,in-vitro CCCCN(C(=O)c1ccncc1)c1ccc(OCc2ccc3ccccc3n2)cc1 96914927 GVTQNVOQGGWHNT-UHFFFAOYSA-N 411.505 5.656 0 1 HKAF COc1ccc(F)c(-c2nc3ccn(Cc4ccc(OC(F)(F)F)cc4)cc-3n2)c1 100068542 PQJLHABRQMTVEJ-UHFFFAOYSA-N 417.362 5.145 0 1 HKAF Cc1ccc2c(c1)C(NC1C[C@H]3CC[C@H](C1)N3Cc1ccccc1)=Nc1cccnc1N2 100929004 LIBNJNRMHRQQCZ-FGZHOGPDSA-N 423.564 5.311 0 1 HKAF COc1ccc(/C=C/c2ccc(-c3ccc([125I])s3)s2)cc1 101704083 JFOGFWZMBRHBDE-VUHCMSCSSA-N 422.329 6.260 0 1 HKAF Clc1ccc([C@H]2C3=C(CCCC3)Nc3ncn4nc(-c5ccccc5)nc4c32)cc1 103156181 AQLIHCVVNYBWMA-FQEVSTJZSA-N 413.912 5.830 0 1 HKAF Clc1ccc2c(NCCCSc3nnc4c(n3)[nH]c3ccccc34)ccnc2c1 103225705 UWRZXHMOTPKEIQ-UHFFFAOYSA-N 420.929 5.302 0 1 HKAF Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ccncc1)C2 103225843 XDUKMBHKWSHCDI-ACDBMABISA-N 423.387 6.888 0 1 HKAF C/C(=C\C=C\C[C@@H](C)C(Cl)(Cl)Cl)C(=O)N[C@@H](c1nccs1)C(C)C 103626202 SASMNYHOQIJNIJ-RWTSOSJXSA-N 409.810 5.855 0 1 HKAF CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2cccs2)C2=C(O)CC(C)(C)CC2=N1 103939933 UHSOFYJMPZOAMG-OAQYLSRUSA-N 407.539 5.535 0 1 HKAF Cc1cc(Nc2cc(C(C)C)[nH]n2)nc(NCc2cc(-c3cccc(Cl)c3)no2)n1 203004931 NGTQKGVCKUKOFP-UHFFFAOYSA-N 423.908 5.296 0 1 HKAF COc1cc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccc(F)cc2)cc(OC)c1 218339315 ACTBTBNNLIREQC-HSZRJFAPSA-N 404.441 5.360 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@]12C 255269545 SZLHPSKURYFPPQ-HOOYJWRQSA-N 410.730 9.364 0 1 HKAF COc1ccccc1[C@@H]1S[C@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccccc1C 299811654 NBKZNTZINHCTDV-ZDXQCDESSA-N 420.509 5.848 0 1 HKAF CC1(C)C[C@H](c2ccc(Cl)cc2)C(Cn2c3ccccc3c3ccccc32)=NO1 473084578 RWXBISJRHAJBBT-OAQYLSRUSA-N 402.925 6.787 0 1 HKAF CCCOc1ccc2c(c1)-c1ccccc1[C@@H]2N1CCN(C(=O)c2ccccc2)CC1 473104261 OYSLUZWQGDBPPR-SANMLTNESA-N 412.533 5.003 0 1 HKAF COc1cc(/C=C/c2nc3cccc(Br)c3[nH]2)ccc1Br 586975357 AYGYOUZCLSQMGQ-SOFGYWHQSA-N 408.093 5.267 0 1 HKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 586982977 SUJAXSQAMWPROO-CYBMUJFWSA-N 419.294 5.535 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4c(Cl)cc(Cl)cc4[nH]3)cc2)n1 587020407 RICZQVAELBNYAQ-UHFFFAOYSA-N 406.363 6.594 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3cccc(-c4ccsc4)c3)nc2c1 587025666 MDLLXPSBUKJACZ-UHFFFAOYSA-N 412.358 6.996 0 1 HKAF Clc1ccccc1OCc1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 587063768 WGTPEFGRZYRIRD-UHFFFAOYSA-N 413.702 6.225 0 1 HKAF Cc1c(Cl)ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587069152 FUKDTQSSFFRLLC-CYVLTUHYSA-N 407.344 7.352 0 1 HKAF FC(F)(F)c1c(Br)ccc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc12 587084394 LOCPSTZJJMUWLR-UHFFFAOYSA-N 411.008 5.713 0 1 HKAF CCOC(=O)COc1cccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 587096281 IPUHKXCRCODBAI-UHFFFAOYSA-N 423.468 5.364 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)cc2F)c1 587142709 ABKDICJBLHGIOX-UHFFFAOYSA-N 421.781 6.112 0 1 HKAF Cc1cc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2cc1Br 587163472 JLZPRWCINMAOHJ-GDNBJRDFSA-N 413.315 6.423 0 1 HKAF Cc1ccc(-c2nc(C)c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)s2)cc1 587207897 IZPLFOSQXDHCGK-UHFFFAOYSA-N 418.521 6.854 0 1 HKAF C[C@@H](Oc1ccc2ccc(=O)oc2c1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208587 BYTRWCZAXDSPQX-OAHLLOKOSA-N 419.436 5.693 0 1 HKAF CCOc1cc(OC)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353285 YPTVBBOPNNNVOK-NOZRDPDXSA-N 422.452 5.213 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(Cl)ccc(F)c2C3)c1 587360292 NXDJQTUGLUIPSM-UHFFFAOYSA-N 415.851 7.020 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4ccc(C)cc4Cl)cc1)[C@@H](C2)C3=O 587419962 FZYOBJAOTNAVSQ-CPJSRVTESA-N 404.893 5.987 0 1 HKAF CNc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421139 TXSANSWAWFWNMX-DVECYGJZSA-N 405.881 5.082 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1O)(c1ccccc1Cl)[C@@H](C2)C3=O 587422222 XOPOSNRKFBRSJC-UUOWRZLLSA-N 406.865 5.054 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1nc(-c4cc(Cl)ccc4Cl)cs1)[C@@H](C2)C3=O 587451314 NCWBOMXRICYTQD-DJJJIMSYSA-N 418.301 5.614 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCc3c(Br)ccc(C)c31)CC2=O 587458040 FRHZQBCBTSDOHF-OAQYLSRUSA-N 401.300 5.223 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3ccc(Br)cc3n1C)CC2=O 587459238 NKENSHZKOJIOEJ-HXUWFJFHSA-N 414.299 5.305 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(CCc1c(C)nc3ccccc3c1Cl)CC2=O 587462116 PIBMZDQZJQWAMF-VWLOTQADSA-N 423.940 6.211 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OCc3cccnc3)c1)CC2=O 587486161 ALKLFWOBHPGNNR-QHCPKHFHSA-N 419.477 5.034 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@]1(CCC(=O)O)c1ccccc1)CC2=O 587490001 PXTYNNPEODSUFO-IZZNHLLZSA-N 422.521 5.426 0 1 HKAF O=C1CC(Cc2ccccc2F)(Cc2ccccc2F)Oc2c1ccc1c2CCCC1 587503008 KGGBZNCXDTWFCH-UHFFFAOYSA-N 418.483 6.033 0 1 HKAF O=C1C[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)cc2)Oc2c1ccc1c2CCCC1 587504950 HDLGITSMACDWEH-XMMPIXPASA-N 422.446 6.958 0 1 HKAF CN(C)/C=C\[C@@]1(c2ccc(OC(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587508184 STSLFHLFQDBONW-XWDDPXMASA-N 413.464 5.103 0 1 HKAF O=C1CC(CCc2ccccc2)(CCc2ccccc2)Oc2c1ccc1c2CCCC1 587520776 BXVBHYPSHFICTB-UHFFFAOYSA-N 410.557 6.535 0 1 HKAF O=C1C[C@@H](c2cccc(OCCCc3ccccc3)c2)Oc2c1ccc1c2CCCC1 587521678 IVORSODRZHQSNY-MHZLTWQESA-N 412.529 6.284 0 1 HKAF C[C@@]1(Cc2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549091 PUZWPANHAGEQIM-UGKGYDQZSA-N 414.379 5.374 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCNc1cc(Cl)ccc12 587551782 JNGCJKROAGDXMS-REWPJTCUSA-N 407.853 5.108 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCSc1c(F)ccc(F)c12 587573109 XSAKHJFJVHHQHA-PGRDOPGGSA-N 412.413 5.023 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(C(=O)c3ccccc3O)c2c1 587641142 KPLPQIRNQJIDMJ-HNNXBMFYSA-N 403.909 6.938 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cccc2N2CCCC2)N1 587698712 ZUZHDLCDGMGIRV-ODXCJYRJSA-N 423.757 5.465 0 1 HKAF Cc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587709736 NUASDFTVEJSSQZ-GLEZIHRCSA-N 408.258 5.298 0 1 HKAF CC(C)Cn1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 587759379 SVTXOVQNSBVISW-RBZFPXEDSA-N 416.338 5.218 0 1 HKAF CC(C)Cn1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 587759380 SVTXOVQNSBVISW-RNODOKPDSA-N 416.338 5.218 0 1 HKAF COc1ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2n1 587784372 RGJBIEYSKOXIJK-UHFFFAOYSA-N 421.500 5.803 0 1 HKAF C[C@H](OC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1 587788907 ATYZFFKKKJHVCJ-YPENRWOSSA-N 420.322 5.032 0 1 HKAF Cc1onc(-c2ccccc2)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587794373 MEXMCDNKEOGLPG-GIPWTMENSA-N 401.279 5.175 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OC2CCCC2)N1 587813353 VFVQJMOFVYZNOO-YEJXKQKISA-N 404.323 5.533 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccccc1Oc1ccccc12 587840758 JWZFAMRRFLVBOQ-CYBMUJFWSA-N 410.286 5.520 0 1 HKAF COc1ccc2sc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587859079 VKBQFFUJNSKBDA-GIGQVBGESA-N 406.320 5.435 0 1 HKAF Cc1cc(Cl)ccc1OCc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)o1 587873717 IBEHDMWDMSHVCO-UHFFFAOYSA-N 424.815 5.617 0 1 HKAF CCC(=O)Nc1cc(Cl)c(Oc2ccc(O)c(-c3ccccc3)c2)c(Cl)c1 653884666 VKSYUMFYLMGJOE-UHFFFAOYSA-N 402.277 6.507 0 1 HKAF COc1ccc2c(c1OC)[C@@](CCc1cccc(Cl)c1)(C1CCC1)N(C)[C@@H](C)C2 962626693 MYOPTUKDVNHBLV-SSOJOUAXSA-N 413.989 5.862 0 1 HKAF CC(C)(C)OC(=O)[C@H]1C[C@@H]([C@@]2(C)NCCc3cccc(-c4ccccc4)c32)C1(C)C 962661950 BFPJJBSEHRIULL-VHFRWLAGSA-N 405.582 5.719 0 1 HKAF Cc1cc(CN2CCCC[C@H]2C)c(C)c([C@@H]2NCCc3cccc(-c4ccccc4)c32)c1 962668797 XZFIJOKDTYNBMN-RCRUUEGKSA-N 424.632 6.580 0 1 HKAF C[C@@]1(c2ccc(Oc3cnccn3)cc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962696988 HILJXAZZYDVROT-MHECFPHRSA-N 421.541 5.035 0 1 HKAF CC(C)(C)c1ccc([C@]2(C3CCNCC3)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963117407 YQASKLDSRVHENY-SQHAQQRYSA-N 406.589 5.387 0 1 HKAF Oc1cccc(-c2cc(-c3ccccc3C(F)(F)F)nc3c2Cc2cccc(O)c2-3)c1 1857548705 GWJGYNXBIFRHEA-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF COc1ccc2nc(-c3cccnc3-c3cc(C(F)(F)F)ccc3Cl)sc2c1 1857589310 ULXJMFQBMJIYMN-UHFFFAOYSA-N 420.843 6.706 0 1 HKAF Ic1ccccc1CNCC(c1ccccc1)c1ccccc1 1857605594 NKFMAZNRMZPHON-UHFFFAOYSA-N 413.302 5.213 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356517589 NWNQHWKXHQAOFV-VVYSFVQTSA-N 416.690 6.606 0 1 HKAF CC(=CCn1c[n+](C)c2nncc(N)c21)CCC=C(C)CC[C@]1(C)C(C)=CCC[C@@H]1C 2356819966 FGSZUHSRIRFSSQ-BKMJKUGQSA-N 422.641 5.674 0 1 HKAF COc1ccc(C(=O)[C@@H](Nc2ccccc2)C(=O)Nc2ccc3ccccc3c2)cc1 206051179 RFWIUVDHAJSCLR-XMMPIXPASA-N 410.473 5.151 0 3 HKAF O=C(NCCOc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 2478451 SUWONAMLGIVOFR-UHFFFAOYSA-N 408.454 5.018 0 1 HKAF CC(C)SCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 5963118 ABMKCJQMQXHKCT-XSLNCIIRSA-N 404.704 7.094 0 1 HKAF COc1c(-c2c(C)cc(OC)c3c(OC)cccc23)c(O)cc2c1[C@H](C)N(C)[C@H](C)C2 13359044 JITCIHHOZPFUCR-CVEARBPZSA-N 421.537 5.484 0 1 HKAF biogenic CCc1c(-c2ccccc2)nn(CCCCCCCCC(=O)O)c1-c1ccccc1 13448461 SUJGCSLLIIHPMQ-UHFFFAOYSA-N 404.554 6.595 0 1 HKAF Clc1cccc(Nc2cncc(-c3cncc(NCCCc4ccccc4)c3)n2)c1 13648419 NNTGNPPBTNKLPC-UHFFFAOYSA-N 415.928 5.980 0 1 HKAF O=C(c1c[nH]c2cc(Oc3ccc(F)cc3)ccc12)[C@@H]1CS[C@@H](c2cccnc2)N1 13737461 BTORIACRBGWOOJ-GMAHTHKFSA-N 419.481 5.081 0 1 HKAF CCN1CCCCc2ccc(C(=O)CCC3CCN(Cc4ccccc4)CC3)cc21 13737857 NYVKEUVLHDSEJG-UHFFFAOYSA-N 404.598 5.724 0 1 HKAF Cc1cc(C)cc(COC[C@@H](Nc2ccccc2)C(c2ccccc2)c2ccccc2)c1 13781125 PMBHLZSZNBTXHZ-GDLZYMKVSA-N 421.584 7.133 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)CCCSc1nc2ccccc2s1 15320268 GKABASHSEJSMFH-UHFFFAOYSA-N 412.624 7.054 0 1 HKAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC(C)C)[C@H]1c1cccc(C(F)(F)F)c1 26826377 RDJPOCSFSZJJMV-BDBAMQCISA-N 411.420 5.153 0 1 HKAF CN(C)c1ccc(-c2cccc3c(C(=O)O)c(O)c(-c4ccc(Cl)cc4)nc23)cc1 35086998 JPDCNGFRGJXOHZ-UHFFFAOYSA-N 418.880 5.692 0 1 HKAF CC(C)(O)CCCC1(C2=CC[C@H]3/C(=C/C=C4/C[C@@H](O)C[C@H](F)C4)CCC[C@]23C)CC1 35334524 IOKXDKPXBKWWDZ-RMEQXRQESA-N 416.621 6.580 0 1 HKAF CC1=C(CC/C(C)=C/CC/C(=C\C[C@H]2OC(=O)C=C2CO)CO)C(C)(C)CCC1 38497431 VOZHIXNCTBMKNV-KXUMGZKHSA-N 402.575 5.173 0 1 HKAF COC(=O)c1ccc2c(c1)nc(-c1c(F)cccc1F)n2CCc1ccc(OC)cc1 43122022 DMDXPEIBRYAGHE-UHFFFAOYSA-N 422.431 5.019 0 1 HKAF COC(=O)c1ccc2[nH]c(-c3cc(-c4cccc(-c5ccccc5)c4)cnc3N)nc2c1 45192027 AVRXSHIAGAEFRF-UHFFFAOYSA-N 420.472 5.328 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4ccc(CNC[C@@H]5CCCO5)cc4)s3)nc12 45192140 YQQSWXWMCGASAP-IBGZPJMESA-N 403.551 5.535 0 1 HKAF [O-][n+]1ccc2c(-c3ccccc3Cl)ccnc2c1-c1c(Cl)cccc1Cl 73162753 UZTHWIMZMNTSOP-UHFFFAOYSA-N 401.680 6.162 0 1 HKAF CC[C@H](C)Cn1c(-c2cccnc2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181221 ZYRZWGUUWHVBFI-HNNXBMFYSA-N 406.921 5.200 0 1 HKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)C=C2C1=CCN(Cc2ccsc2)CC1 95616654 DRBHWIMQPLOZHC-UHFFFAOYSA-N 423.622 6.573 0 1 HKAF O=C(c1cccc2ccccc12)N(CCc1ccc(Cl)cc1)[C@H]1CC[C@H](O)CC1 101210442 SFLKPYFQQSLPMF-SZPZYZBQSA-N 407.941 5.482 0 1 HKAF COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2ccccc2OC(C)C)C[C@@H]1C 101956654 SRHGMBJUUYCDFO-PNDGYVOYSA-N 420.509 5.354 0 1 HKAF Cc1cccc(CSc2nc3n(n2)[C@@H](c2ccccc2F)C2=C(O)CCCC2=N3)c1 103894207 CIYBVPXOJQOPPU-NRFANRHFSA-N 420.513 5.689 0 1 HKAF C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 118924697 OQIJRBFRXGIHMI-DHFLOFTRSA-N 420.678 5.412 0 1 HKAF CN1[C@@H]2CC[C@@H]1CC(O[C@@H](c1ccc(F)cc1)c1ccc(Br)cc1)C2 140111876 UYDBIVZVAQJVFB-SFHLNBCPSA-N 404.323 5.319 0 1 HKAF CCCC[S@@](=O)c1sc2nc(-c3cccs3)nc(-c3ccccc3)c2c1N 148063164 NMUJKGODVLATSU-MHZLTWQESA-N 413.593 5.577 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3 255222841 KLLFGBWPBOBVAC-MWKUPTQVSA-N 414.718 8.025 0 1 HKAF COC(=O)[C@H]1[C@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccccc2)c(Cl)c1)C3 261074625 AQWNEEQYGAZQAV-KDWAAPTOSA-N 421.968 5.684 0 1 HKAF Cc1ccc(Cn2cc(C(=O)NC3CCCCC3)cc2-c2ccc(Cl)c(C)c2)cc1 473134458 COBKXVUAUIDLMI-UHFFFAOYSA-N 420.984 6.536 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3c(Br)ccnc3[nH]2)c1 586879412 QHCMFELHNAZERH-UHFFFAOYSA-N 406.283 5.235 0 1 HKAF O=C(O)/C=C\c1ccccc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586879674 MNGYDNSLFKCFRA-WAYWQWQTSA-N 411.177 5.109 0 1 HKAF COc1cccc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc12 587004929 DWTHGKUZVLFWIA-UHFFFAOYSA-N 413.113 5.146 0 1 HKAF CCOC(=O)Cc1ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc2c1 587031841 VQGAOMWLMWHPKY-OAHLLOKOSA-N 419.550 5.628 0 1 HKAF COc1cc(-c2nc3ccnc(Br)c3[nH]2)cc(Cl)c1OCC(C)C 587045054 ZMKJUZDNIPXWTP-UHFFFAOYSA-N 410.699 5.084 0 1 HKAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(C)c(C)c3[nH]2)c1 587049725 UOXLZHACVFCXJF-UHFFFAOYSA-N 412.921 5.143 0 1 HKAF Clc1ccccc1NCc1nc2cc(Br)c(Br)cc2[nH]1 587060179 DLITWPMLCOLZPP-UHFFFAOYSA-N 415.516 5.353 0 1 HKAF COc1cncc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c12 587082058 FVVIESDQPOPZIL-UHFFFAOYSA-N 402.841 5.208 0 1 HKAF Cc1ccc2c3c(cc(/C=C/c4cn(C)c5ccccc45)nc13)-c1ccccc1C2=O 587097419 HFPSSZNNJYLNHX-OUKQBFOZSA-N 400.481 6.417 0 1 HKAF COc1cc(OC)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1Cl 587104941 ZENCTHVKCCBCPB-UHFFFAOYSA-N 401.849 5.784 0 1 HKAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 587149854 NPCHHJAJPBXIET-SFHVURJKSA-N 401.363 5.802 0 1 HKAF Fc1cncc(Cl)c1Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587176394 RUTDDBZURWGNQL-UHFFFAOYSA-N 408.580 5.123 0 1 HKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 587239390 XAMWOBZBMJAORB-UHFFFAOYSA-N 408.408 5.494 0 1 HKAF COC(=O)[C@@H]1c2ccccc2-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587361870 CYLYILHXDIPRHS-JOCHJYFZSA-N 421.452 5.942 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Oc3ccc(F)cc3Cl)cc1)O2 587384686 HXTDOAYLMKHWFK-HSZRJFAPSA-N 411.860 6.043 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ccc1OCc1ccc(F)cc1)O2 587384951 QESYOIVNYYWQRN-QFIPXVFZSA-N 411.860 5.655 0 1 HKAF COc1cc2c3c(c1)O[C@](CC14CC5CC(CC(C5)C1)C4)(c1ccccc1)[C@@H](C2)C3=O 587445439 JWHLFMFQEVNTCX-MWTXZPGWSA-N 414.545 5.945 0 1 HKAF CCCC[C@@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc(O)c(CCC)c2O1 587462587 PEFWTUJXYVYIQU-QFIPXVFZSA-N 407.337 6.702 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(F)c(F)c(F)c1)CC2=O 587466787 ODAWEVMCOMGUOQ-XMMPIXPASA-N 412.407 5.671 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)CC2=O 587476790 FWRCNTVFALHUJI-HSZRJFAPSA-N 402.446 5.270 0 1 HKAF O=C1C[C@@H](c2c(Cl)ccc(Br)c2F)Oc2c1ccc1c2CCCC1 587509078 WXOHSFYKVYAEIE-INIZCTEOSA-N 409.682 5.827 0 1 HKAF CC(C)C[C@@]1(Cc2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546069 HYHGYWGNGTTXEH-DHLKQENFSA-N 422.908 6.035 0 1 HKAF C[C@]1(c2ccc(F)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573141 XYPQSBQEHDHYLV-RCZVLFRGSA-N 400.405 5.562 0 1 HKAF CCc1ccccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574921 CTRJRFVBZNEYRD-BVAGGSTKSA-N 411.457 5.448 0 1 HKAF CCCCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC 587596323 NJUBESDNZNDQDM-RDGATRHJSA-N 420.461 5.283 0 1 HKAF COc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599883 IPIMZXAYFCKHNB-IGKIAQTJSA-N 424.452 5.306 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2nccc(Cl)c2s1 587616542 DNJCDUUHFKBXGV-FXAWDEMLSA-N 409.850 5.358 0 1 HKAF Cn1ccnc1-c1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628434 SQMZGOXQFPYCCR-UHFFFAOYSA-N 409.333 6.273 0 1 HKAF CC[C@@]1(c2c(Cl)cccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 587694186 OUJUTFLEVJBGCJ-MLCYQJTMSA-N 417.149 6.083 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cc(Cl)ccc3n2)N1 587697856 MZYFCAKIYWWIJV-OVWNDWIMSA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)cc2C(F)(F)F)N1 587711563 LABZFBXJKFEDFK-VVVCHXIZSA-N 418.228 5.110 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3cccc(F)c3)s2)N1 587731455 LYHISFRYJMEYPT-XTZNXHDOSA-N 421.310 5.474 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(C2CCCC2)N1 587732233 INSGIZQHOLBONX-ZSEKCTLFSA-N 406.314 5.695 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cc(N(C)C)ccc3c2)N1 587754677 KNCWCONXQCJVPZ-WHEQGISXSA-N 413.334 5.431 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3cc(C)c(Br)cc3[nH]2)c1 587780682 XVNLJLRXMJHYAT-UHFFFAOYSA-N 407.311 6.367 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccccc3)o2)N1 587825577 AYBSGULSYQNEET-LRTDBIEQSA-N 416.290 5.384 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCOc3cc4c(cc32)CCC4)N1 587836447 UVPBFLDBJDABMJ-DMZKTXOQSA-N 416.334 5.027 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccsc3)c2)N1 587856781 YBIVORIHIRPVDT-MPBGBICISA-N 402.332 5.940 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2c(ccc3ccccc32)o1 587871393 GLOXOQCHFFPGMA-UHFFFAOYSA-N 400.409 5.676 0 1 HKAF C=C1C=C(n2nc(-c3cccc(F)c3)cc2OCC)n2ncc(-c3ccccc3)c2N1 587872061 IIIQAYPIAPZIDI-UHFFFAOYSA-N 413.456 5.055 0 1 HKAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587933935 AOZSTZPVUVHBCD-UHFFFAOYSA-N 408.807 5.696 0 1 HKAF Cc1cc(-n2c(-c3ccccc3)ccc2-c2ccccc2)nn1Cc1ccccc1F 587944317 CQYCXAXJJRVIQQ-UHFFFAOYSA-N 407.492 6.504 0 1 HKAF Cc1cncc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c12 587957534 MYMKFIYIZCMRCZ-UHFFFAOYSA-N 413.694 8.706 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(C=C4C5CC6CC(C5)CC4C6)[nH]c3c2)cc1 587969223 ZSKMRYGSFUUNED-UHFFFAOYSA-N 414.505 5.981 0 1 HKAF Cc1ccc(-c2cnc([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)[nH]2)cc1 653724981 BPXANCDAUIMICT-ISKFKSNPSA-N 412.537 5.221 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(C)C[C@@H]1CCCCC1=O 961773089 DDKDPUBFEDXEDK-AVRWGWEMSA-N 412.574 5.203 0 1 HKAF COc1cc2c(cc1OC)[C@]1(CC3(CCCCC3)Oc3ccccc31)N(C)[C@@H](C)C2 962569878 MIHRLDYSKWYJSO-HFJWLAOPSA-N 407.554 5.309 0 1 HKAF COc1cc(C)c(-c2ccc([C@@H]3c4c(ccc(OC)c4OC)C[C@H](C)N3C)s2)cn1 962572094 PPJRPEOFIPQPER-NPMXOYFQSA-N 424.566 5.110 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccccc2C)(c2cncc3ccccc23)N1 962946895 MFVVTOKMRSRYGA-KCWXNJEJSA-N 417.556 6.241 0 1 HKAF Cc1sc2c(c1C)CCN[C@H]2c1ccc(OC(F)(F)F)c(Br)c1 963016359 YLLJKMZPSUZAIS-AWEZNQCLSA-N 406.267 5.261 0 1 HKAF Cc1sc2c(c1C)CCN[C@@]2(CC(F)(F)F)c1ccc(Br)cc1 963019386 GWGGZUUGIQQDPB-INIZCTEOSA-N 404.295 5.469 0 1 HKAF COc1cc2c(cc1C(=O)Nc1ccccc1C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C 1772615101 XALOHEJVJNBOBA-JCYRPKCISA-N 407.554 5.257 0 1 HKAF O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2[C@H]1c1cccnc1 1857569845 FUGVQSXDTPLNSI-GOSISDBHSA-N 404.322 5.630 0 1 HKAF COc1cc(OC)cc(-c2cc3c(Nc4ccc(OC)c(OC)c4)nccc3[nH]2)c1 1857604011 JDNRNKFECAEOQS-UHFFFAOYSA-N 405.454 5.008 0 1 HKAF COC[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2[C@H](C)CCCC(C)C 2356306084 CNPRURNPRXVSNA-OJMPHCHBSA-N 416.690 7.015 0 1 HKAF CC1(C)C(=O)CC[C@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2C[C@H]2O[C@@H]3CC[C@@](C)(O3)[C@H]3CC[C@]1(C)[C@@H]32 2356422861 VUSLQOQDDBPUTM-XSWVWBDZSA-N 414.630 6.145 0 1 HKAF CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O 2356466076 SOQKXJABGLKWQX-UHFFFAOYSA-N 408.626 8.442 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1O)O2 2356629756 PDOFMWDBNPYGEC-QFIPXVFZSA-N 424.493 5.451 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CC[C@]1(C)C2=CCCC(C)(C)[C@@H]2CC[C@@H]1C 2356699585 BOUHSOCEHRQJNM-UNVFRBQDSA-N 423.649 5.798 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CC[C@@]1(C)C2=C(CC[C@@H]1C)C(C)(C)CCC2 2356852299 QOYQXVXFFWDLHS-AFMDSPMNSA-N 423.649 5.942 0 1 HKAF FC(F)(F)c1ccccc1NC(=S)O[C@@H]1CCC12CCC(c1ccccc1)CC2 96019267 UXBLMPMSJZTNAU-LVKMRUPZSA-N 419.512 6.925 0 3 HKAF CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccccc2C)C2=C(O)CCCC2=N1 690000 ONFUXUPLAKQDEN-QFIPXVFZSA-N 408.448 5.720 0 1 HKAF O=C(O)/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)c(Cl)c1 3816491 ZUIMAMHUQKPCBR-QHHAFSJGSA-N 408.925 6.278 0 1 HKAF O=C1CS[C@H](c2cccc(Oc3ccccc3)c2)N1c1cccc(Cl)c1Cl 6040332 QTKLNROWACUSNV-OAQYLSRUSA-N 416.329 6.564 0 1 HKAF CC(C)CNC(=O)/C=C/C=C/CCCCCCC/C=C/Cc1ccc2c(c1)OCO2 13378981 UJRIYGLYYIVULW-AVWSMISZSA-N 411.586 6.129 0 1 HKAF biogenic,in-vitro COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2nc(Cl)sc2c1 13761443 SYZOUTMRLYREJS-INIZCTEOSA-N 400.975 5.553 0 1 HKAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)Nc1c(F)cc(F)cc1F 26176494 PTGNPLWIGNWSIF-HZJYTTRNSA-N 409.536 7.856 0 1 HKAF C[C@@H]1C(=O)c2c(n(O)c3ccc(Cl)cc3c2=O)C[C@@H]1c1ccc(Cl)cc1Cl 27091153 ZUZNTCRLGKBFRH-ZANVPECISA-N 422.695 5.358 0 1 HKAF CCCN(CC1CC1)c1cc(C)nc2c(-c3ncc(Cl)cc3Cl)c(C)nn12 28367536 UDIMIZXVNGNZCJ-UHFFFAOYSA-N 404.345 5.341 0 1 HKAF COc1ccc(C(c2c[nH]c3ccc(OC)cc23)c2c[nH]c3ccc(OC)cc23)cc1 36409629 QODURDJPXAAZTL-UHFFFAOYSA-N 412.489 5.855 0 1 HKAF CCN(CCCCCC(C)(C)F)CCCCc1ccc(NS(C)(=O)=O)cc1 39032800 VWTBOSJXWUXAQO-UHFFFAOYSA-N 400.604 5.011 0 1 HKAF OC[C@H](O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl 40566007 ILRRFUUZEJIVDE-FQEVSTJZSA-N 419.304 5.177 0 1 HKAF Cc1ccc(-n2cc(-c3ccccc3NCc3ccncc3)nn2)cc1C(F)(F)F 40951639 RPXAVKZRWOMBEP-UHFFFAOYSA-N 409.415 5.269 0 1 HKAF c1ccc(OCCCOc2ccc(-c3cc4ccc(C5=NCCN5)cc4o3)cc2)cc1 43019153 HAKKWIRSCJISOB-UHFFFAOYSA-N 412.489 5.298 0 1 HKAF C[C@H](/C=C/c1cccc[n+]1C)[C@H]1CC[C@@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 45353151 SXXFURSAPZIHGU-BFVMATANSA-N 420.661 6.100 0 1 HKAF CC(C)C[C@H](C)NC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 45368403 ZFEDHTPDUDQCFL-NHYWBVRUSA-N 408.386 5.330 0 1 HKAF CCc1ccc(C(=O)N2CCCn3cccc3[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 45386303 CHKAJSQJMHQGBK-VWLOTQADSA-N 400.566 5.984 0 1 HKAF CC(C)c1cc2c3c(c1OC(=O)c1ccccc1)OC(=O)[C@@]31CCCC(C)(C)[C@@H]1CC2 49072554 PLZNUFUFHRRZLA-CCLHPLFOSA-N 418.533 5.959 0 1 HKAF Fc1ccc(Cc2nn3c(Br)c(-c4ccc(F)cc4)nc3s2)cc1 71295393 SRZFABLLDMJDAM-UHFFFAOYSA-N 406.255 5.089 0 1 HKAF COc1cccc(CNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)c1 72110330 MYQGSQPYILDYRP-QYOMYCIVSA-N 419.609 6.843 0 1 HKAF C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@@H]2CCN(CCc3ccccc3)C[C@@H]21 73163512 MEFBNOXISJBUAP-PLMTUMEDSA-N 412.499 6.027 0 1 HKAF CC(C)CN(C)c1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccccc2)n1 82133767 KPJZEPXGESADBI-UHFFFAOYSA-N 416.569 5.287 0 1 HKAF CC[C@@H](C1CC1)n1c(=O)c(C)nc2c(-c3ccc(OC(F)F)cc3Cl)ccnc21 84687734 YWRIOXBMMCYSQH-KRWDZBQOSA-N 419.859 5.383 0 1 HKAF O=C(O)CCc1ccc(OCc2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 84709789 JXLQSMNWXDNYTL-UHFFFAOYSA-N 400.396 5.969 0 1 HKAF COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)cnc2-c2cccnc2)cc1 103234691 MGOSVDSICIKUHG-UHFFFAOYSA-N 423.516 5.366 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1 103258973 DEODPADYZFXAGB-QGZVFWFLSA-N 423.431 5.246 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2ccncc2)C[C@@H](c2ccc3c(c2)OCO3)C1 103998842 XPFDAXFUXWEJAI-NSYGIPOTSA-N 411.461 5.439 0 1 HKAF CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccccn2)C2=C(O)CC(C)(C)CC2=N1 104006776 SKSZXLNIVKSVBH-JOCHJYFZSA-N 405.473 5.304 0 1 HKAF Cc1[nH]c(C)c(-c2ccc(OCc3ccc(C(F)(F)F)cc3)nc2)c(=O)c1Cl 145329896 UINWROKSLGMRBI-UHFFFAOYSA-N 408.807 5.305 0 1 HKAF O=C(Nc1ccc2nc[nH]c2c1)c1ccc(-c2ccccc2)c(CN2CCCCC2)c1 201764555 YCHJHXYGYOPOFQ-UHFFFAOYSA-N 410.521 5.468 0 1 HKAF COc1cc2c(cc1OC)CN(CCCCn1c3ccccc3c3ccccc31)CC2 211368541 GNVIOVFESAIRTG-UHFFFAOYSA-N 414.549 5.650 0 1 HKAF FC(F)(F)c1ccc(-c2cnc3ncn(Cc4ccc5ncccc5c4)c3n2)cc1 222107603 TYYYYDCCDUCSIO-UHFFFAOYSA-N 405.383 5.109 0 1 HKAF Oc1cc2cc(c1)Oc1c(O)cc(O)cc1CCCCCCCCCCCCCC2 238750874 PXHGALFZYJSIBC-UHFFFAOYSA-N 412.570 7.376 0 1 HKAF CC[C@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1)c1ccc(Cl)cc1 261099799 GBRAYUMBLAVPID-SFHVURJKSA-N 420.904 5.255 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](CO)[C@H]1CC3 261498596 UPEGTKGKNWDIAN-DLTWUULASA-N 416.690 6.751 0 1 HKAF endogenous,in-man COC(=O)c1ccc(Oc2ccc3nc([C@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1 586884003 NICHKPNLSIPNSA-JFZAUQCHSA-N 402.494 5.610 0 1 HKAF CCCCc1cc(=O)oc2cc(OCc3nc4cc(F)c(F)c(F)c4[nH]3)ccc12 586917929 GFTBPTYSRXHKTD-UHFFFAOYSA-N 402.372 5.008 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2cc(C)c(C)cc2[nH]1 586982137 RLXMESHCWGZMEQ-UHFFFAOYSA-N 401.348 6.568 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(OCC(F)(F)F)cc3)nc3ccc(O)c1c23 586985801 GLSXJBDIZQXZSP-UHFFFAOYSA-N 421.374 5.760 0 1 HKAF Cc1ccc2c3c(cc(-c4cnn(-c5cccc(Cl)c5)c4)nc13)-c1ccccc1C2=O 586993932 RRLLKNIXAQZHJL-UHFFFAOYSA-N 421.887 6.261 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc(/C=C\c5ccsc5)[nH]c4c3)o2)cc1 587025994 QINQGPKEBJLDHF-MBXJOHMKSA-N 400.463 5.520 0 1 HKAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 587042524 LGGZVPFHHWJPGV-KRWDZBQOSA-N 422.337 5.156 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(Cl)cc2[nH]1)c1cccc(Cl)c1 587070038 FDDOMFOKYIXYBP-MRXNPFEDSA-N 406.313 5.678 0 1 HKAF FC(F)(F)c1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Cl 587077564 WLUXFWLHMCTOBP-HNNXBMFYSA-N 400.187 5.506 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)cc2F)c1 587143243 NUDBZLBKLNGMAP-UHFFFAOYSA-N 414.795 5.535 0 1 HKAF Fc1ccc(/C=C/c2nc3c(Br)ccc(Br)c3[nH]2)c(F)c1 587150270 RJVZJCQXXOKQCP-QHHAFSJGSA-N 414.047 5.537 0 1 HKAF Nc1ccccc1-c1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1 587249461 ATULWGLNMSLOHE-UHFFFAOYSA-N 400.226 5.520 0 1 HKAF C[C@H](c1ccccc1)N1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587345557 PXOYBMHWUIYODO-JWFGRAFASA-N 417.480 5.096 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](n2cncn2)C[C@@H](C)C3)c1 587361982 AAIZSYIBDZRKMX-YWZLYKJASA-N 410.477 5.420 0 1 HKAF COc1cccc(-c2cc(-c3ccc(OC)cc3OC)nc3c2oc2ccccc23)c1 587362650 LSZWRSPYEWLRNC-UHFFFAOYSA-N 411.457 6.341 0 1 HKAF C[C@]1(c2cc(Cl)sc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370713 AWBMHBQJRGSBAV-YLJYHZDGSA-N 423.292 6.174 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ccc(Br)cc3)cc1)O2 587372202 ONKIAUPWALAUEL-NRFANRHFSA-N 424.294 5.839 0 1 HKAF COc1cc2c3c(c1)O[C@]1(c4ccccc4-c4ccc(Br)cc41)[C@@H](C2)C3=O 587417813 MKASTJGNNLDQDZ-CVDCTZTESA-N 419.274 5.129 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(Cl)ccc1NC)CC2=O 587459942 FFOMGRHRUBOBGD-RUZDIDTESA-N 421.924 5.949 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3cc(Br)ccc13)CC2=O 587460573 UPDHZXXTDMVTQW-IBGZPJMESA-N 400.272 5.295 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccc(C)cc3)nc1C(C)(C)C)CC2=O 587477830 VIWICQKEVQAINI-QHCPKHFHSA-N 418.537 5.843 0 1 HKAF O=C1C[C@](Cc2ccc(F)c(F)c2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587503489 HFAMPRRLKPONDZ-AREMUKBSSA-N 404.456 5.947 0 1 HKAF CC[C@@H]1CN=C(Nc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)S1 587537716 JRTSVXQPRGGLKD-KBMIEXCESA-N 420.578 5.739 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCNc1cc(Cl)ccc12 587551781 JNGCJKROAGDXMS-OFNKIYASSA-N 407.853 5.108 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)c3cccc(C(F)(F)F)c3)c(C(F)(F)F)[nH]c12 587624525 OAKWTWXOIFHTBN-UHFFFAOYSA-N 405.725 6.398 0 1 HKAF O=C(c1cc(Cl)ccc1Cl)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587638850 RHBOIXBXOWJPCL-UHFFFAOYSA-N 402.155 5.423 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(Cl)c2Cl)N1 587700695 ZZUYFRGANOZTEB-VVVCHXIZSA-N 403.122 5.693 0 1 HKAF COc1cccc(C)c1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587786443 LJZPXLLRMYJQCO-UHFFFAOYSA-N 401.182 5.208 0 1 HKAF CCCCCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587798028 XEJNVXNCFGDNPR-QRQCRPRQSA-N 420.366 6.171 0 1 HKAF Cc1ccc(-c2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 587820925 RJABSPKPTSHBMX-NPMXOYFQSA-N 410.330 6.187 0 1 HKAF CCc1ccc2oc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587827859 LUIDTZBWNFVMRL-XUSGNXJCSA-N 402.307 5.695 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc3ccccc3o2)(C(C)(C)C)N1 587828418 NHTLOHSYZOHWHU-DMZKTXOQSA-N 416.334 6.158 0 1 HKAF COc1ccc2c(C)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)oc2c1 587830010 SCMNYFFPENXODA-APBUJDDRSA-N 404.279 5.275 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccsc3)nc2)N1 587854618 REQDEPMSYYMUTN-WYRIXSBYSA-N 403.320 5.335 0 1 HKAF COc1cc(O)cc(-c2cccc(-c3nc4cc(Br)c(F)cc4[nH]3)c2)c1 587931155 FXAINZPXTOHJKL-UHFFFAOYSA-N 413.246 5.513 0 1 HKAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(F)c(Br)c3[nH]2)cc1 587931543 AKMLCPDSMIUELC-GOSISDBHSA-N 411.274 5.653 0 1 HKAF CCOC(=O)c1c(CSc2cccc(Cl)c2)[nH]c2c1cc(O)c1ccccc12 653701060 KGTYTTGDAYQBTI-UHFFFAOYSA-N 411.910 6.149 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@H]1c1ccc(C(C)(C)O)cc1 961747155 GQOOSSJXCLQLJK-HSZRJFAPSA-N 422.569 5.155 0 1 HKAF CCC[C@]1(c2cc3cccc(OC)c3oc2=O)c2cc(OC)ccc2CCN1C(C)C 962094772 XGYKBXPTCPBKSS-AREMUKBSSA-N 421.537 5.120 0 1 HKAF O=C(O)CCCCC[C@@]1(c2ccc(F)cc2)NCCc2cc(-c3ccccc3)ccc21 962673937 ZPLLTFLULRJSGI-MHZLTWQESA-N 417.524 5.917 0 1 HKAF COc1ccc2c(c1)[C@](c1ccccc1CN1CCCC1)(C1CCCC1)N[C@H]1CC[C@@H]21 962999670 ZBOONDASFIAYMY-SAAIGDAKSA-N 416.609 5.574 0 1 HKAF CC(C)c1ccccc1-n1cccc1[C@H]1c2cccc(Br)c2CCN1C 963289447 NFDZRJWIYYHHPQ-HSZRJFAPSA-N 409.371 5.941 0 1 HKAF C[C@@H](Sc1cc(-c2ccnc(O)c2)cnc1N)c1c(Cl)ccc(F)c1Cl 1857548704 GWAPADQJZPHTLR-SECBINFHSA-N 410.301 5.731 0 1 HKAF Clc1ccc(-c2nc3sccn3c2CNCCc2c[nH]c3ccccc23)cc1 1857608192 LSIICHRDIJMBGF-UHFFFAOYSA-N 406.942 5.530 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(sc3ncnc(Nc4ccc(Cl)cc4)c23)C1 1857614937 WPEPEYKKURKLBQ-UHFFFAOYSA-N 416.934 5.382 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1ccc2cnncc2c1 1857632543 JDONUUHKKAFGNX-MVVRIGEBSA-N 400.566 5.947 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1ccc2c(=N)[nH][nH]c2c1 1857747924 XNVCTRGKURQQID-MRERIHQUSA-N 403.570 5.292 0 1 HKAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@H]2O[C@@H](O)C(Cl)(Cl)Cl 2356331518 JVLHMVXGPLKLFV-RSQDCSKSSA-N 419.776 5.322 0 1 HKAF CC[C@@H](C=C(C)C)C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C=C[C@]12C 2356733012 OFSJHZVDJCTSNW-XGZDGSBNSA-N 412.702 7.801 0 1 HKAF COc1cc(O)cc(O)c1C(=O)[C@@H]1C[C@H](c2ccccc2)C=C(C)[C@@H]1CC=C(C)C 2356786300 ZUGJZDPPJGJZPY-BAGYTPMASA-N 406.522 6.012 0 1 HKAF CCCCCCSc1cccc(-c2nc3ccc(C)cn3c2NC2CCCCC2)c1 36382334 IXNGFUCJPGZCNA-UHFFFAOYSA-N 421.654 7.727 0 3 HKAF C[C@H]1CCCC[C@H]1NC(=O)c1cccnc1SCc1cccc(Br)c1 3021367 UZQRVIQYASHRIT-KBXCAEBGSA-N 419.388 5.445 0 1 HKAF Clc1ccc(CO[C@@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc1 3780987 NEMILYAYVCLLDG-KAYWLYCHSA-N 417.980 6.152 0 1 HKAF COc1cc(O)cc2occ(-c3ccc(OC/C=C(\C)CCC=C(C)C)cc3)c(=O)c12 13334333 FNBSHQJTAVKVOX-LDADJPATSA-N 420.505 6.246 0 1 HKAF CCCCC1=C(C(=O)OC)[C@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21 13473492 MSAGZBAYYJNXDB-DEOSSOPVSA-N 424.493 5.453 0 1 HKAF O=C(NCCCN1CCC(c2ccccc2)CC1)C(c1ccccc1)c1ccccc1 13755525 VSPXCXNCHMUCOP-UHFFFAOYSA-N 412.577 5.204 0 1 HKAF COc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 13760753 FUXRBRXTWPQSKS-UHFFFAOYSA-N 415.577 6.104 0 1 HKAF CCCCc1oc2ccccc2c1Cc1ccc(-c2ccc(OCC(=O)O)cc2)cc1 13806790 JVGSWEOYTNRSNZ-UHFFFAOYSA-N 414.501 6.497 0 1 HKAF CCCC[C@@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(OC)c(C(=O)O)c3)c2c1 26495030 CUDVETCMDCAKSW-GOSISDBHSA-N 422.525 5.551 0 1 HKAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC(C)C)[C@@H]1c1ccccc1C(F)(F)F 26820409 DCZKYOPFILCJIP-CQGUWYRNSA-N 411.420 5.153 0 1 HKAF O=C(O)c1ccc2c(c1)nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2C1CCCCC1 28108888 VOJBDYSYPYOBDI-UHFFFAOYSA-N 420.896 6.820 0 1 HKAF COc1ccc(Sc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 34820518 AAXBQIIFZWWIIZ-UHFFFAOYSA-N 407.322 5.136 0 1 HKAF CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 38791902 OQMZNAMGEHIHNN-IMIQORLNSA-N 410.686 7.721 0 1 HKAF CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccccc12 40422160 QCJZFQGVELXWGI-UHFFFAOYSA-N 416.443 5.685 0 1 HKAF COC(=O)C/C=C/C1=CO[C@]23CC[C@H]1[C@@]2(C)CC[C@H]1[C@H]3CC[C@@H]2C[C@@H](O)CC[C@]12C 40741558 ISEREEAPDVTCFS-AKOOAAAOSA-N 414.586 5.162 0 1 HKAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(=O)[C@@H](N)C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 45300712 LMHKDOXVMXUVGN-DCYUTMKDSA-N 417.634 5.129 0 1 HKAF CC1(C)CCCN(C(=O)c2cccc(-n3nc(-c4ccc(Cl)cc4)cc3N)c2)C1 45334554 CXDJHOIRMUPWCR-UHFFFAOYSA-N 408.933 5.037 0 1 HKAF O=C(Nc1cccc2ccccc12)C(Br)(C(F)(F)F)C(F)(F)F 68575790 UMPDQRNPSXNVKJ-UHFFFAOYSA-N 400.116 5.037 0 1 HKAF biogenic COc1ccccc1CCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2)n1 82163350 DVCCBOZFJJLGET-UHFFFAOYSA-N 416.550 5.547 0 1 HKAF CCCCCc1nc(-c2cnc(NCc3ccccc3F)nc2-c2ccco2)oc1C 82166191 SCQNUBLAQUZPML-UHFFFAOYSA-N 420.488 6.184 0 1 HKAF Cc1ccc(CNc2ncc(-c3nc(C)c(C)s3)c(-c3ccccc3F)n2)cc1 82176067 YFVJHDKWMOMSCN-UHFFFAOYSA-N 404.514 5.944 0 1 HKAF CC1(C)C=Cc2cc(C(=O)CC(=O)c3cc4c(cc3O)OC(C)(C)C=C4)ccc2O1 102943567 PHVKLPYOWVVQIN-UHFFFAOYSA-N 404.462 5.216 0 1 HKAF biogenic,in-vitro O=C(c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1 143723904 VMOFCYOWICLZGJ-UHFFFAOYSA-N 406.290 5.025 0 1 HKAF O=C(OC[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc2ccccc2c1)c1ccccc1 169368778 JTWKFTQCKFYFJH-HFIQQWFXSA-N 409.529 5.563 0 1 HKAF Clc1ccccc1Nc1ncc(Br)c(Nc2n[nH]c3ccccc23)n1 203003512 BUFAGNSLHUASFH-UHFFFAOYSA-N 415.682 5.256 0 1 HKAF C[C@H](C(=O)Nc1ncccc1Cl)c1ccc(Nc2ccnc(C(F)(F)F)c2)cc1 213964322 USGMLVCELYJTDK-LBPRGKRZSA-N 420.822 5.635 0 1 HKAF C1=C\CCCCN2C[C@]34CCCCCCCCCCN(C[C@H]5C/C(=C\C/1)[C@@H]2C[C@H]53)C4 238742737 GLHSTLLNLJNYMI-LIIUMGETSA-N 410.690 6.580 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)cc2)CC1 586881142 QPWKPXCOIOXGGC-HDJSIYSDSA-N 404.451 7.250 0 1 HKAF CC(=O)c1ccc(-c2cccc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c2)cc1 586881658 YUCZQKUNQAMDBZ-UHFFFAOYSA-N 418.496 6.679 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4cc(I)ccc4[nH]3)cc2)o1 586903185 MPSQEKPKETUIJG-UHFFFAOYSA-N 400.219 5.403 0 1 HKAF O=C1O/C(=C/c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c2ccccc21 586907741 WGMLKRYSAKYGIE-NTUHNPAUSA-N 409.161 5.013 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cccc(C(F)(F)F)c1C3 586986381 LPJFBHNWLGPRGP-UHFFFAOYSA-N 403.359 5.742 0 1 HKAF CCc1c(-c2ccc(Cl)c(Cl)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987061 YLGJLYMPUPZYNQ-UHFFFAOYSA-N 420.295 6.688 0 1 HKAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(Cl)c(F)cc3[nH]2)cs1 587018920 CNBNMJARQXMOJJ-UHFFFAOYSA-N 401.854 5.047 0 1 HKAF Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2ccc(OCc3ccccc3)cc2[nH]1 587047996 DWARMVKQFGFETE-SJORKVTESA-N 409.316 6.720 0 1 HKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(Cl)c2[nH]1 587111974 CIZZBTQRNZZPCV-SECBINFHSA-N 417.656 6.344 0 1 HKAF CC(C)(C)c1ccc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2n1 587138219 CIXKJFCQBIUDNB-UHFFFAOYSA-N 407.420 5.566 0 1 HKAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(Cl)c(C)c4[nH]3)cc2)cc1F 587147965 WCFXRRFOGQWDDJ-UHFFFAOYSA-N 421.903 5.671 0 1 HKAF Fc1ccc2c(c1)C[C@@H](c1nc3cc(OC(F)(F)F)c(Br)cc3[nH]1)O2 587173729 IBXZVXUPKUBHAZ-AWEZNQCLSA-N 417.156 5.039 0 1 HKAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cccc(Cl)c2[nH]1 587231968 YHOKPUCJDFEVKP-UHFFFAOYSA-N 406.873 5.106 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CC=C(c3ccc(F)cc3)CC2)[C@@H]1c1ccc(F)cc1 587341044 ZULFDLFAFLRCHU-RSXGOPAZSA-N 418.439 6.036 0 1 HKAF CC1=C(CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(C)(C)CCC1 587348719 AQCBLVFGXJPFPG-SQHAQQRYSA-N 422.540 6.956 0 1 HKAF Cc1ccc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)oc2c1 587353271 MTGPJUAZFJHRLK-UKILVPOCSA-N 402.421 5.860 0 1 HKAF COc1cccc(-c2c([C@H](C)CCCC(C)(C)O)cnc3c2oc2ccccc23)c1 587365355 GGNMSTXTYNMZOV-QGZVFWFLSA-N 403.522 6.701 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCc1ccc(Br)cc1)(C(C)(C)C)O2 587370008 AJUUZLJBNSNPGO-QFIPXVFZSA-N 416.359 5.723 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(F)cc3)nc3ccc(C)cn13)O2 587384355 KSVISMUNEYYIKV-HXUWFJFHSA-N 401.441 5.046 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(F)cc4)c4ccccc4n1C)[C@@H](C2)C3=O 587426994 FUIGZYNXEYCXMX-SIBVEZHUSA-N 413.448 5.482 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(C)cc(CN4CCCC[C@@H]4C)c1C)[C@@H](C2)C3=O 587434570 ARVAMANDXKNJAV-YZKRRQQXSA-N 405.538 5.175 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc3ccc(C(F)(F)F)cc3s1)CC2=O 587464252 MIZKABXTJLITSD-KRWDZBQOSA-N 406.425 6.285 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1cccc(C(=O)O)c1)CC2=O 587480030 DUKTXHMPLAKAHL-QHCPKHFHSA-N 402.446 5.416 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H]1CCCC[C@H]1C(=O)O)CC2=O 587491393 VAEPXAPHCKMHIZ-FLPMJASOSA-N 408.494 5.096 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(C(F)(F)F)ccnc1Cl 587550316 UQVADXMRZDCZCH-CRAIPNDOSA-N 421.758 5.162 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cc(Cl)cc(Cl)c12 587551890 KVPGXGMUFWJCFY-UGKGYDQZSA-N 413.256 5.502 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccc(F)cc2)cs1 587567447 APGOMZABUXJGOK-SIKLNZKXSA-N 419.433 5.358 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Oc2ccccn2)c1 587584691 ADXQQPKFDLWWSQ-WIOPSUGQSA-N 411.413 5.282 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)c3cccc(Cl)c3)c(-c3cccc(Cl)c3)[nH]c12 587624984 XSHAVSIEKOLUMW-UHFFFAOYSA-N 414.719 7.335 0 1 HKAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc4ccccc4c3)c(C(=O)C(F)(F)F)c2c1 587649196 LHADPRJMMUGLMO-UHFFFAOYSA-N 417.408 5.137 0 1 HKAF CCCCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587797011 VAAJMSROSNBEKB-YEJXKQKISA-N 422.338 5.399 0 1 HKAF CC(C)c1ccc2c(c1)[C@@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587816586 AOBVBAWICBGYIX-JLCFBVMHSA-N 402.351 5.826 0 1 HKAF Cc1nc2scc(C3CC3)n2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587855572 JPEIODSNCWISQJ-HUTHGQBESA-N 420.351 5.107 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 587858125 CYBCIHDTTBBAPS-KXBFYZLASA-N 407.341 6.134 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1ccccc1 587864200 GQXQIVQINAHQCV-CQSZACIVSA-N 404.388 5.075 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Br)cc1Cl 587869917 ULWQZKSLKTUBGS-UHFFFAOYSA-N 423.669 5.192 0 1 HKAF COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cccnc4[nH]3)CCCC(C)(C)[C@@H]1CC2 587933047 UESUABLXLJIHSO-AFMDSPMNSA-N 419.569 5.854 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(Cc3ccccc3-c3ccccc3)nc2c1 587959216 MTYGUZDWSLFVQD-UHFFFAOYSA-N 420.356 6.858 0 1 HKAF COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccc(-c3ccccc3)nn2)cc1 653710306 RWUGCFLCOXYEKS-VWLOTQADSA-N 406.489 5.508 0 1 HKAF COc1ccc2c(c1)c([C@H]1NCCc3ccc(F)c(C)c31)cn2C(=O)OC(C)(C)C 962303115 URONSHOFCSQHCZ-JOCHJYFZSA-N 410.489 5.116 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@@]1(CCc1cccc(F)c1)C1CCC1 962397082 JFPSJYQEXRQUCB-RUZDIDTESA-N 408.586 5.912 0 1 HKAF Cc1cccc(-n2nc(C)c([C@@H]3c4cccc(F)c4CCN3[C@@H]3CCSC3)c2C)c1 962693712 CUMLHHMFLXMPRP-NLFFAJNJSA-N 421.585 5.390 0 1 HKAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2ccccc2-c2ccsc2)N1 962706311 XDUPILVLSVZYDG-OALUTQOASA-N 421.415 5.261 0 1 HKAF CSc1ccc([C@@]2(C3CCC3)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962714907 RVUPWJLWFZGOPS-DVECYGJZSA-N 413.627 5.955 0 1 HKAF Cc1cc(C)cc(CC[C@]2(c3ccc(F)cc3)NCCc3c2c(C(C)C)nn3C)c1 962925539 ZHZMAMSIYFQAHA-AREMUKBSSA-N 405.561 5.322 0 1 HKAF Cc1sc2c(c1C)CCN[C@]21C(c2ccc(Cl)cc2)=COc2cc(O)ccc21 963019364 GUOUAEJBMNGAAX-HSZRJFAPSA-N 409.938 5.547 0 1 HKAF CC[C@@H]1Cn2c(-c3ccc(Cl)c(OC)c3)nc(-c3cc(C)nc(C)c3)c2CCO1 1772601315 PONPIIGSUWGXHH-GOSISDBHSA-N 411.933 5.242 0 1 HKAF O=C(Cc1cc(Cl)cc(Cl)c1)N1CCC[C@H](c2nc3ccc(Cl)cc3[nH]2)C1 1772608244 ZRDPYTGNWHKAMO-ZDUSSCGKSA-N 422.743 5.472 0 1 HKAF c1cnc2cc(OCCCCN3CCN(c4cccc5sccc45)CC3)ccc2c1 1772624346 BXJAQPIJTACZJF-UHFFFAOYSA-N 417.578 5.431 0 1 HKAF CCn1nc(C(C)C)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(F)c2)cs1 1857564551 DIXGQSOZDFEDOS-UHFFFAOYSA-N 410.522 5.527 0 1 HKAF Cc1cccc(Cl)c1C(=O)c1cn(-c2ccc(C(=O)O)cc2F)c2ccccc12 1857609599 UGZXXALFNWCUHE-UHFFFAOYSA-N 407.828 5.661 0 1 HKAF CCc1ccc(C(=O)Nc2ccccc2)cc1-c1cccc(-c2cnc3cnccn23)c1 1857615632 RKTLCRIAGOMGHI-UHFFFAOYSA-N 418.500 5.878 0 1 HKAF CCN(CC)CCCN1c2ccc3ccccc3c2Sc2cc3ccccc3nc21 1857644145 DCGAZAAUNAAOFM-UHFFFAOYSA-N 413.590 6.723 0 1 HKAF CC(C)[C@H](C)C[C@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356346715 XGIZPVUTLMXXTK-TZBPAAKISA-N 416.690 6.894 0 1 HKAF C[C@@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@@H]1C[C@H]1C 2356462773 DSCWSZBNGFQSCJ-HPTONAFWSA-N 414.718 7.715 0 1 HKAF CC(C)CC(=O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356622783 MFRSYEFNIGJEOG-XHLGVXGWSA-N 418.662 5.618 0 1 HKAF CC(C)c1ccc([C@@H]2O[C@H](CCc3ccccc3)Cc3nc(S)nc(O)c32)cc1 169304268 MCFHAYGFDDXHBU-KNQAVFIVSA-N 406.551 5.258 0 3 HKAF Cc1ccc(OCCn2c(CCNC(=O)C3CCCCCC3)nc3ccccc32)cc1 169331162 ATWJFGWFHLEZPP-UHFFFAOYSA-N 419.569 5.053 0 3 HKAF Cc1ccc(C)n1[C@H]1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(F)cccc21 206028570 IFZJPEVOAIRWIM-HXUWFJFHSA-N 402.391 5.399 0 3 HKAF c1ccc(-c2nnc(CCCCCCCCc3nnc(-c4ccccc4)o3)o2)cc1 1859712 RONYCJKHCIGODV-UHFFFAOYSA-N 402.498 5.912 0 1 HKAF C1=N\c2ccc(cc2)/N=C\c2ccc(cc2)OCc2cccc(n2)COc2ccc/1cc2 4256076 DFJXVTZAJCINNC-QRMZFMMFSA-N 419.484 6.054 0 1 HKAF CC(=O)O[C@@H]1/C=C(\C)[C@H](OC(=O)c2ccc(O)cc2)C/C=C(\C)CCCC1(C)C 5382321 YUURXLYREVDXOP-QUNOWOBBSA-N 400.515 5.342 0 1 HKAF CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccccn2)C2=C(O)CC(C)(C)CC2=N1 8382906 TTYBOTGXMZLIQH-QFIPXVFZSA-N 423.463 5.443 0 1 HKAF CN(C)CCCCCCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1 13454311 BPNSQEIRCIDVME-UHFFFAOYSA-N 421.581 6.521 0 1 HKAF CCCCOc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2)cc1 13557944 KPFJRBICWZZEAK-UHFFFAOYSA-N 418.493 5.379 0 1 HKAF CCOc1cc(Cl)ccc1OC[C@H]1CN(Cc2ccc(Cl)cc2)CCCO1 13579741 UQZRGJCMXCCCFJ-LJQANCHMSA-N 410.341 5.062 0 1 HKAF O=C1C[C@](CCc2ccccc2)(c2ccccc2)OC(=O)[C@@H]1Sc1ccccc1 17731571 GQFUOEUKVURDSZ-ILBGXUMGSA-N 402.515 5.192 0 1 HKAF C[C@H](CCCCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 27711332 FFEXYSPMUAOYQN-GBURMNQMSA-N 404.635 6.287 0 1 HKAF CC(C)N(C(=O)COc1cc(Cl)c(-c2ccc(C(=O)O)cc2)c(Cl)c1)C(C)C 29404709 HDTCKUBKTCKUIN-UHFFFAOYSA-N 424.324 5.383 0 1 HKAF CCN1CC[C@@H](CN(Cc2ccccc2)Cc2ccc(Cl)c(Cl)c2)OC1=O 36519497 KSBABDIRGLDPJO-SFHVURJKSA-N 407.341 5.226 0 1 HKAF Cc1ccc([C@@H]2c3[nH]c4ccc(F)cc4c3CCN2C(=O)CCc2ccccc2)cc1 38253516 AXWSHHWRDYOZSO-HHHXNRCGSA-N 412.508 5.722 0 1 HKAF CC(C)CCNc1cc(Cl)nc(S[C@@H](C(=O)O)c2cccc3ccccc23)n1 49109949 COUZGLSEBNURHL-LJQANCHMSA-N 415.946 5.659 0 1 HKAF O[C@@](c1cccc(Cl)c1)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F 49111494 WZPSKTKKWMYXCL-FQEVSTJZSA-N 420.793 5.616 0 1 HKAF O=C1S/C(=C\c2ccc3c(c2)Cc2ccccc2-3)C(=O)N1Cc1cccc(Cl)c1 49803176 QXNZJZBSMYUPJA-UUYOSTAYSA-N 417.917 6.148 0 1 HKAF Clc1ccc(-c2nc(CN[C@H]3CCN(Cc4ccccc4)C3)co2)c(Cl)c1 72181954 ZQVQGSMUZSYOIV-KRWDZBQOSA-N 402.325 5.013 0 1 HKAF COc1ccc(-n2nc3c(c2-c2ccc(Cl)c(Cl)c2)C(=O)CCC3)cc1O 73240246 SRANANGWIWYFJZ-UHFFFAOYSA-N 403.265 5.079 0 1 HKAF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc(F)cc3)n2)C1 82139888 SADRXPXKCDHRJO-QZTJIDSGSA-N 424.564 5.170 0 1 HKAF CCCCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCc3ccccc3)ncnc21 82178617 SFYILXHEUCKRAJ-HXUWFJFHSA-N 413.569 5.975 0 1 HKAF CC[C@@H](C)Cn1c(C[C@H](C)c2ccccc2)nc2c(NCc3cccs3)ncnc21 82178868 UFACMQZYMURERQ-MSOLQXFVSA-N 419.598 5.892 0 1 HKAF CC1=C2C3=CC[C@@H]4[C@](C)(CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]3(C)CC[C@]2(C)CC[C@@H]1C 85977729 LGVXVLHBYPSFGC-MBHHNXQBSA-N 424.713 8.089 0 1 HKAF in-man CC(=O)n1cc(/C=C(/C(=O)O)c2ccccc2)c2cc(OCc3ccccc3)ccc21 96921488 VURJWCQRBFZUDH-ZVHZXABRSA-N 411.457 5.506 0 1 HKAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cccc(C)c2)C2=C(O)CC(C)(C)CC2=N1 104076794 YMQDINDVZRLLJG-XMSQKQJNSA-N 409.526 5.162 0 1 HKAF C[C@@H]1[C@@H](Nc2ncc(C(=O)N3CCCC3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C 105178400 MSLPWLIMOWYVED-HXQKEGBBSA-N 422.548 5.001 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@@H](O)[C@@H]4C[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 118937081 YYVUMXYSCXRWIL-CBRPQZGLSA-N 416.690 6.584 0 1 HKAF endogenous,in-man CCNC(=O)c1cccc(-c2ccc3oc(-c4ccc(F)cc4)c(C(=O)NC)c3c2)c1 150016310 SPOSMSFEHBNJNJ-UHFFFAOYSA-N 416.452 5.015 0 1 HKAF CCN(CC)C[C@@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2cc(OC)ccc12 169333843 UERKQPFVUOSNOD-JOCHJYFZSA-N 419.352 5.592 0 1 HKAF COc1cc(N[C@@H](C)CCCN)c2nccc(CCSc3ccc(F)cc3)c2c1 169334226 ZFSHZPYHUQALKS-INIZCTEOSA-N 413.562 5.257 0 1 HKAF O=C(Nc1ccc(F)cc1)N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1 169350918 NIQPVPYOEJXZGG-RBUKOAKNSA-N 410.320 5.355 0 1 HKAF COC(=O)c1ccc(-c2ccc3c(c2)[C@H](Nc2ccccc2)C[C@H](C)N3C(C)=O)cc1 203707391 WNXYOMAVTPCODN-BXKMTCNYSA-N 414.505 5.439 0 1 HKAF CCSCCCCN[C@H](CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1 219094352 KGBHSFUSFKIYPF-HXUWFJFHSA-N 402.475 6.953 0 1 HKAF CCCN(C(=O)c1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 299829728 MGDCLVZGZHBEMM-UHFFFAOYSA-N 405.338 5.056 0 1 HKAF Cc1cc(-c2nc3cnc(Br)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586879816 RUHIQLMFDYSLTM-UHFFFAOYSA-N 408.255 5.061 0 1 HKAF COC(=O)c1cccc2nc(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c12 587046228 DCQADJQFEIBFTE-HJWRWDBZSA-N 414.889 5.217 0 1 HKAF Clc1ccc(-c2cccc3ccccc23)cc1-c1nc2cc3ccccc3cc2[nH]1 587049217 JFCVQGOFPGPYFJ-UHFFFAOYSA-N 404.900 7.857 0 1 HKAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1 587049737 FFMQCXZPTRKKJW-UHFFFAOYSA-N 415.276 5.902 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 587050889 RCDJHSVTVNNOAQ-IUCAKERBSA-N 405.634 6.813 0 1 HKAF CC(C)COc1cc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2cc1Br 587056663 KMVKQEHITKIOEW-HNNXBMFYSA-N 422.754 5.256 0 1 HKAF FC(F)(F)c1cc(Cc2nc3ccc(Br)cc3[nH]2)cc(C(F)(F)F)c1 587110389 UKHFZEMPGBZIJS-UHFFFAOYSA-N 423.154 5.954 0 1 HKAF CCOc1cc(/C=C\c2nc3ccc(Br)cc3[nH]2)ccc1OC(F)F 587130650 NNBLTFKYFHYUOX-YWEYNIOJSA-N 409.230 5.496 0 1 HKAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc4ncccc4c3[nH]2)c(C2CC2)n1 587232653 YBFISQUUYBQALQ-UHFFFAOYSA-N 415.497 5.075 0 1 HKAF C[C@@]1(c2ccc(Cl)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339113 YCOITHYZMSGICF-IRLDBZIGSA-N 400.808 5.598 0 1 HKAF COc1cccc(-c2cc(-c3oc4cccnc4c3N)nc3c2oc2ccccc23)c1 587363950 XSKNRFIVZIRXEM-UHFFFAOYSA-N 407.429 6.047 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)n(-c3ccccc3)c3ccc(O)cc13)O2 587388808 BEFBLAWWDMIGTR-AREMUKBSSA-N 412.489 5.416 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3cccc(Cl)c3)cc1)CC2=O 587459534 FBRCAYIJLYRFPX-XMMPIXPASA-N 422.908 6.284 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCCc1ccccc1)CC2=O 587482416 NWBGQMRVPQXSRH-RUZDIDTESA-N 402.490 5.673 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cc3ccccc3)ccc1OC)CC2=O 587484020 VYUCJJDWIQTDTB-RUZDIDTESA-N 402.490 5.651 0 1 HKAF Cc1ccc(-c2cc3ccccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587518516 KBSJIYKGLLTXRD-MHZLTWQESA-N 421.540 6.808 0 1 HKAF CCOC(=O)[C@@H]1CC[C@@H](c2ccccc2)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522222 GEYIKRRAWUEVOD-MCEYFSPLSA-N 404.506 5.026 0 1 HKAF CC(C)(C)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549333 RRFPDGHTAVFBMK-RDPSFJRHSA-N 408.881 5.949 0 1 HKAF CC[C@]1(c2c(F)cc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555974 IHDOONBGKMMCFO-DENIHFKCSA-N 400.352 5.077 0 1 HKAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(C)C 587597089 SCTRGEKIZSAHFM-RCZVLFRGSA-N 420.461 5.139 0 1 HKAF CC[C@@]1(C23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604149 UPMQEHQHSBVAJG-QJOQYSKTSA-N 404.506 5.719 0 1 HKAF CCOC(=O)c1c([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2ccc([C@H](C)CC)cc12 587643629 VTGOHDDIHWTMGJ-NVXWUHKLSA-N 414.546 5.583 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cccc2C(F)(F)F)N1 587711491 KTCRGQZLOLUOFI-BCTVWOGZSA-N 422.647 5.884 0 1 HKAF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1C(F)F 587720366 STCUYRHZEPHREO-XLFHBGCDSA-N 400.238 5.158 0 1 HKAF Cc1cc(C)n(-c2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)n1 587763776 MJOPIVYZQUJERD-GTJPDFRWSA-N 414.322 5.014 0 1 HKAF Cc1ccccc1-c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587820919 RGCIIKDKSLPKPF-WNSKOXEYSA-N 410.330 6.187 0 1 HKAF CC(C)c1ccc(C[C@H](C)[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587821968 YZTCPPKOONHIQE-SMASLZHESA-N 404.367 6.166 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ncoc1C(C)(C)C 587859287 VDCWGEXKSNRBMY-UHFFFAOYSA-N 408.285 5.230 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CNc1c(C)cc(C)cc1C 587862652 ULAHLQKCDZBIJG-UHFFFAOYSA-N 417.431 5.255 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2c(C(F)(F)F)cccc2s1 587871385 VKYTWTOGVSEOAO-UHFFFAOYSA-N 407.392 5.706 0 1 HKAF COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(-c2ccc(C)cc2)c1O 587940846 KOYSQCWRDLHSRO-UHFFFAOYSA-N 421.880 6.318 0 1 HKAF COc1cc2c(cc1OC)CN(CCCCn1cc(CCCF)c3ccccc31)CC2 653787742 PUHNSQMNLQKSIL-UHFFFAOYSA-N 424.560 5.399 0 1 HKAF COCCCN1CCc2ccc(OC)cc2[C@]1(C)CSc1ccc(Cl)cc1 961319303 HNILUDCVGGFDAU-QFIPXVFZSA-N 405.991 5.251 0 1 HKAF O=C(NCC1(c2ccc(Cl)nc2)CCCCC1)c1c(Cl)ccc2[nH]ccc12 1857563509 HZVCQFHFPSLEKP-UHFFFAOYSA-N 402.325 5.502 0 1 HKAF O=C(Nc1nc2ccc(-c3cccc(CO)c3)cc2s1)c1ccc(F)cc1Cl 1911580223 UQNGLLVWPXPKDS-UHFFFAOYSA-N 412.873 5.500 0 1 HKAF C[C@@H]1CC[C@H]([C@@](C)(O)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)NC1 2356474217 IYNBEJALSUEFDB-VXSNXBKKSA-N 415.662 5.065 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356569094 IGLXIHMNQDKKLE-XLUABGHMSA-N 416.690 6.606 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC=C[C@@H]2CC[C@@H]3C[C@H](O)CC[C@]3(C)C2=CC[C@H]1C)C(C)C 2356618151 HKYYLANUJNZBFK-YVNUYFMPSA-N 414.718 8.191 0 1 HKAF CC(C)[C@@H](C)[C@@H]1C[C@H]1[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356704502 VYPDNFZRAJIGCV-AZVIKFFFSA-N 414.718 7.571 0 1 HKAF COc1cccc(-c2ccc3c(c2)[C@H]2C[C@H]3CCN2C(=O)c2ccc(Cl)cc2)c1 102879084 VROXAYUEZGYDBZ-NTKDMRAZSA-N 403.909 6.090 0 3 HKAF CCCCCCOc1c(OC)cc(N[C@@H](C)CCCN)c2nc(OC)c(C)cc12 5837446 SFBYZVIXUCMKSN-KRWDZBQOSA-N 403.567 5.059 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 6002920 KZJWDPNRJALLNS-MHHBOJDBSA-N 414.718 8.025 0 1 HKAF O=C(CCCCCCCCCCCCCCCOc1cccc(O)c1)NCCO 13676024 LQGWURAEMXARMO-UHFFFAOYSA-N 407.595 5.341 0 1 HKAF COc1c(-c2c(C)cc3cccc(OC)c3c2O)c(O)cc2c1[C@H](C)N(C)[C@@H](C)C2 14421127 UKOYLRKCEGOLOJ-GJZGRUSLSA-N 407.510 5.181 0 1 HKAF biogenic CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3C/C(=N\O)C4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 26578479 GRMNIFYZNANARN-WNXBHWOXSA-N 415.662 6.829 0 1 HKAF O=C1C[C@@H](c2c(Cl)cccc2Cl)Cc2c1c(=O)c1cc(Cl)ccc1n2O 27082701 NHYCPUYGGDWNOJ-VIFPVBQESA-N 408.668 5.112 0 1 HKAF O[C@H](CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccccc1 38474416 IQJRHGHNCFTRIB-HHHXNRCGSA-N 415.577 5.148 0 1 HKAF CCCCC(C)(C)c1cc(Br)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 64448624 WSCSCPONSGFGOZ-QZTJIDSGSA-N 405.420 7.528 0 1 HKAF O=C(CN(C(=O)Nc1ccc(Cl)cc1)C1CCCCC1)Nc1cc(F)cc(F)c1 72127844 YTHUZRWSVBPLDQ-UHFFFAOYSA-N 421.875 5.424 0 1 HKAF CC[C@@H](NC(=O)c1ccc2c(c1)nc(C)n2Cc1ccccc1Cl)c1ccccc1 72183307 WPTIHXIXPJYHMF-JOCHJYFZSA-N 417.940 5.928 0 1 HKAF CCOP(=O)(OCC)[C@H](Cc1ccc(F)cc1)c1sc2ccccc2c1C 84618897 JUDDQMDPLTZDIH-LJQANCHMSA-N 406.459 6.899 0 1 HKAF CCCCCCN(C)C(=O)n1c2ccc(Cl)cc2c2ccc([C@@H](C)C(=O)O)cc21 95556890 XNVSKXKATRVKNI-OAHLLOKOSA-N 414.933 6.116 0 1 HKAF CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(-c2cc(Cl)cc(Cl)c2)cc1 95558897 GGYSVONICGWRAY-REWPJTCUSA-N 400.393 7.085 0 1 HKAF O=C(Nc1ccccc1)Oc1ccc2c(c1)[C@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3 101115017 PNQVNINMHSUQSR-RELGLDOUSA-N 416.565 5.766 0 1 HKAF CC(=O)Nc1cccc(-c2n[nH]c3c2Cc2cc(CN[C@H]4CC[C@H](C)CC4)ccc2-3)c1 101788479 RHIITOJBSPGUJJ-NBEIKUQISA-N 414.553 5.275 0 1 HKAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1ccc2oc3ccccc3c2c1 103258942 PEAXRVOYMYUBCP-OXQOHEQNSA-N 415.489 5.713 0 1 HKAF COc1ccc(-c2cccc([C@H](C)C(=O)Nc3ccc(-c4ccnc(C)c4)cc3)c2)cc1 103273458 JFULHNJRFZLGIX-FQEVSTJZSA-N 422.528 6.475 0 1 HKAF C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 135687283 HOEJSFZVOUECLS-VXPJTDKGSA-N 414.678 5.333 0 1 HKAF CCCCCCC(=O)N(CCCC/C=C\CCCCCCc1nnn[nH]1)C(C)C 148876620 XPUPRLNPUPTFMT-NTMALXAHSA-N 405.631 5.627 0 1 HKAF CCOC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(-c3ccc(-c4ccccc4)n3C)cc1)N2 169327353 LXPFIHFWVCMHFG-DUOVIKOCSA-N 414.549 5.146 0 1 HKAF Nc1n[nH]c2cccc(-c3ccc4c(C(=O)Nc5cccc(Cl)c5)cccc4c3)c12 169350187 FIUIHPKEHCEBHN-UHFFFAOYSA-N 412.880 5.871 0 1 HKAF CC1(C)CCC(C)(C)c2cc([C@H](N=O)c3ccc4cc(C(=O)O)ccc4c3)ccc21 169714709 YRLIQFOYOUAXNA-HSZRJFAPSA-N 401.506 6.743 0 1 HKAF CC1CCN(c2c(S(=O)(=O)c3ccc(Cl)cc3)cnc3cc(F)ccc23)CC1 201541086 NVOFNNTUMXYLDJ-UHFFFAOYSA-N 418.921 5.096 0 1 HKAF CC[C@@H](CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 255225288 KZJWDPNRJALLNS-NVOJTUIPSA-N 414.718 8.025 0 1 HKAF Cc1c(COc2ccc(CN[C@H](C)C(=O)O)cc2Cl)cccc1-c1ccccc1 473125503 QGXJVELKPSMEGB-QGZVFWFLSA-N 409.913 5.457 0 1 HKAF O=C(O)/C=C\c1ccccc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586878153 ALZVBVMKOJQUNM-WAYWQWQTSA-N 400.278 5.365 0 1 HKAF O=Cc1cc(Br)cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 586982737 PIJMEJOPNZZMSD-UHFFFAOYSA-N 409.308 5.956 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(-c4ccccc4)ccc3O)nc3ccc(O)c1c23 586990415 DUHDVJRYQVOQDL-UHFFFAOYSA-N 415.448 6.191 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(Cc3csc(-c4ccco4)n3)nc2c1 587018239 WVIBOCNXGCAWAA-UHFFFAOYSA-N 417.334 5.908 0 1 HKAF Cc1cc(Cl)cc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c12 587031438 GVSUUQGKHOOQIX-UHFFFAOYSA-N 403.935 5.546 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4nc(Br)ccc4[nH]3)c21 587032113 YWHNPSMOEKITPR-NSHDSACASA-N 413.344 5.679 0 1 HKAF COc1cc(/C=C\c2nc3ccc4nc(C)ccc4c3[nH]2)cc(Cl)c1OCC(C)C 587047052 SHKYUOQSASVFEQ-POHAHGRESA-N 421.928 6.287 0 1 HKAF Clc1cccc(/C=C/c2nc3cccc(I)c3[nH]2)c1Cl 587055726 WZWPXZRSHZPJBS-BQYQJAHWSA-N 415.061 5.645 0 1 HKAF CC(C)(C)c1ccc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2n1 587069845 FQQZVMICWDUQMD-QPBVFBMKSA-N 414.380 6.928 0 1 HKAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587111765 DGMWLBKPVRQFPQ-QGZVFWFLSA-N 415.337 5.000 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1 587112001 JHSNYUBRSTXSBL-UHFFFAOYSA-N 417.390 6.028 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)ccc2F)cc1 587139334 GTNOCPZZUMUCME-UHFFFAOYSA-N 400.240 5.940 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)cc2F)c1 587142969 IKNQIASKSUIZON-UHFFFAOYSA-N 424.756 6.254 0 1 HKAF COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)c3coc4ccccc34)c2n1 587280774 AQFJOYJDAFFCDH-UHFFFAOYSA-N 419.387 5.320 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccccc2F)(C2CCCC2)[C@@H]1c1ccc(F)cc1 587329317 DMJLQXGYHQZRAC-RSXGOPAZSA-N 420.455 6.115 0 1 HKAF CC(C)C[C@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350699 FCWWGKZHZVWJMZ-AOYPEHQESA-N 404.481 5.918 0 1 HKAF CCCc1c(CCCCC(=O)O)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587367869 YVNKPFORMYGQQK-UHFFFAOYSA-N 417.505 6.407 0 1 HKAF Cc1ccc([C@]2(c3cccc(Br)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587376596 JQFHKJCTDKHGDL-QHCPKHFHSA-N 422.322 5.557 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(C)cc3)nc3ncccn13)CC2=O 587492790 XKKAKHKTDWKTAV-OAQYLSRUSA-N 413.477 5.069 0 1 HKAF O=C1C[C@H](c2cccn2-c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587506233 JEQAZAGKAFXDQS-JOCHJYFZSA-N 411.423 6.081 0 1 HKAF COC(=O)c1ccccc1-c1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587522821 HXBGZLNBZMCQHV-VWLOTQADSA-N 412.485 5.726 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1sc2ccccc2c1Cl 587619018 QGUNVNCZUHYKGU-UWJYYQICSA-N 408.862 5.963 0 1 HKAF COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CN(C)C)cc1 587625564 KJFYOSXLVFFSIH-UHFFFAOYSA-N 416.365 5.943 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(Oc3cccc4c(O)nccc34)c2c1 587643118 BCNISVFCJFUEEA-QGZVFWFLSA-N 408.501 7.395 0 1 HKAF CC(C)c1ccccc1OCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661252 VJYIKTYQFMRYNT-UHFFFAOYSA-N 416.452 5.045 0 1 HKAF CC(C)[C@]1(Cc2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587700870 SZFCQPRQLOMOQQ-XCLFUZPHSA-N 410.758 5.870 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Cl)c2F)(C2CC2)N1 587725981 HCRBXBJKHNXWOL-DGIBIBHMSA-N 412.705 5.569 0 1 HKAF CCOc1ccc2nc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 587780282 ZVBKRGIXNUMORO-XUSGNXJCSA-N 415.306 5.159 0 1 HKAF Cc1ccc(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587794279 LQBYAZMAPRMSIC-ZSEKCTLFSA-N 414.322 5.219 0 1 HKAF CC[C@H](C)Oc1c(OC)cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587794549 OVQDDLJWGXEYKO-UVARLRKDSA-N 422.338 5.398 0 1 HKAF CCOc1ccc2ccccc2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587801694 MZQRNORKBYYYGG-XMHCIUCPSA-N 414.318 5.764 0 1 HKAF COc1cccc2cc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)oc12 587831783 YHTIGJDXQCRGNP-PRWKNARSSA-N 404.279 5.141 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(O)cc3)cc2)N1 587833499 NYEWDTKWFBRTRX-DMZKTXOQSA-N 412.302 5.584 0 1 HKAF Cc1nc(C(C)(C)C)sc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587854841 UHAWUOXJJSFEJW-DGIBIBHMSA-N 411.384 5.448 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(SC)cc1 587860227 ROXVEXVYBCGQBB-UHFFFAOYSA-N 407.322 5.666 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)N[C@H]1CCCC[C@@H]1C 587861502 RTKCFPSAKFJMOM-LRDDRELGSA-N 412.386 5.557 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1C[C@H]1c1ccccc1 587865839 LFYSTPXLRHBWBE-ROUUACIJSA-N 400.400 5.412 0 1 HKAF COc1ccc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2c1 587948920 LRNIYXIPXSEYHA-WLENULPWSA-N 406.526 5.856 0 1 HKAF Cc1c(Br)cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1C 587949222 CADBWOSYDLQJIE-OUKQBFOZSA-N 419.322 6.905 0 1 HKAF O=C(O)CCCCCCCCCCCCc1nc2cc3c(cc2[nH]1)OCCCO3 587957796 VEYRUNRFEZJZAK-UHFFFAOYSA-N 402.535 5.642 0 1 HKAF CC[C@]1(Cc2nc3cc(Cl)cc(Br)c3[nH]2)CC(=O)c2ccccc2C1 587959953 JGDGFBYVMMVNEX-HXUWFJFHSA-N 417.734 5.747 0 1 HKAF CC/C(=C\c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccc(C)cc1 587968428 SRVUOSLKEWAOKL-XYOKQWHBSA-N 409.249 6.603 0 1 HKAF COc1ccc2c(c1)[C@](CCCCCC(=O)O)(c1cc(C)ccc1C)N(C(C)C)CC2 962095483 ZCPQLMKXRLGZMO-MHZLTWQESA-N 423.597 5.857 0 1 HKAF C[C@H](C(=O)c1ccccc1)[C@]1(C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962629298 JKVMLZDBANVKKA-AHCMPFEKSA-N 410.561 5.168 0 1 HKAF CCC[C@]1(c2cc3ccccc3oc2=O)c2cccc(Br)c2CCN1C 963279000 DPRBBPGHKQPITB-JOCHJYFZSA-N 412.327 5.087 0 1 HKAF CCOc1ccc(-c2cc3oc(=O)cc(C)c3cc2-c2ccc(OCC)cc2)cc1 1772618109 FPCBUSIPTBQZRQ-UHFFFAOYSA-N 400.474 6.233 0 1 HKAF O=C(NCc1ccccc1)c1ccccc1Nc1cccc(OCCc2ccccc2)c1 1857556967 BBWJSAGWGRBCHH-UHFFFAOYSA-N 422.528 5.982 0 1 HKAF O=C(Nc1ccc(Oc2ccncc2)c(F)c1)c1cccc(-c2ccc(F)cc2)c1 1857567235 DKXYWHBWNBJCDU-UHFFFAOYSA-N 402.400 6.071 0 1 HKAF C[C@H](c1cc2cccnc2cc1F)n1cnc2ncc(-c3cnc4ccccc4c3)nc21 1857608086 OOFBFLMNYYNTSA-OAHLLOKOSA-N 420.451 5.338 0 1 HKAF COc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3Cc2ccc(Cl)c(Cl)c2)cc1 1857649170 ZSMUTNUTPTXFTO-UHFFFAOYSA-N 412.272 5.399 0 1 HKAF CC(C)=CCC/C(C)=C\CCC(C)=CCNCCCOCCCCOCCCN 1911572273 SQRWGMWDFPIWEZ-ZFFAWUNGSA-N 408.671 5.548 0 1 HKAF COC1(O[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@H]6S[C@H]6C[C@]5(C)[C@H]4CC[C@@]32C)CCCC1 2356331419 IVDYZAAPOLNZKG-FKPBUBPCSA-N 404.660 6.425 0 1 HKAF CC(C)[C@@H](C)C[C@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356346713 XGIZPVUTLMXXTK-IUIIQDEFSA-N 416.690 6.894 0 1 HKAF CCCCCC=CCC=CCCCCCCCCCCCCCc1ccc(C=O)[nH]1 2356545715 XRPAGQHROSRLNO-UHFFFAOYSA-N 413.690 9.134 0 1 HKAF COC(=O)c1cccc(C[C@@]2(C)C(=O)Nc3cc(-c4ccccc4Cl)ccc32)c1 61908539 NPAOOIHXRALAON-XMMPIXPASA-N 405.881 5.246 0 3 HKAF Cc1cccc(C)c1NC(=O)[C@H](C1CC1)n1c(=O)c(-c2ccccc2)nc2ccccc21 95567677 MMHVQCXKVFNTGZ-VWLOTQADSA-N 423.516 5.270 0 3 HKAF c1ccc(Cn2c(-c3cccnc3)cc3cnc(Nc4ccc5c(c4)OCO5)cc32)cc1 206020543 RPGGHEBZDLCDHR-UHFFFAOYSA-N 420.472 5.619 0 3 HKAF O=C(NCCc1ccccc1F)c1c(-c2ccccc2Cl)noc1-c1ccoc1 774837 SAOHCTWUTIMOPU-UHFFFAOYSA-N 410.832 5.367 0 1 HKAF CC(C)[C@@H](C)NC(=O)c1c(-c2ccccc2F)noc1-c1cccc2ccccc12 2482993 JPJNDBNVQIMETG-MRXNPFEDSA-N 402.469 6.075 0 1 HKAF CCCN(CCc1c[nH]c2ccc(F)cc12)[C@H]1COc2ccc3ncccc3c2C1 28821556 CQHDSXVWMDCTFE-LJQANCHMSA-N 403.501 5.113 0 1 HKAF NCCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 28825887 DFLHMQJGWDDBDL-XLNRJJMWSA-N 423.988 5.338 0 1 HKAF CN(C(=O)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccccc1Cl 28826698 QKHLSHIWFRFHDV-UHFFFAOYSA-N 422.790 6.181 0 1 HKAF CCN(CC)CCNc1nc(Nc2ccc(Cl)c(Cl)c2)c2ccccc2n1 29203576 QIJDHYIMGHMAET-UHFFFAOYSA-N 404.345 5.434 0 1 HKAF CSc1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccnc(N[C@H](C)C(C)C)c2)[nH]1 40933556 AYBVIYITZRMSPJ-CYBMUJFWSA-N 420.504 6.336 0 1 HKAF CCC/C=C/C[C@@H]1C/C=C/C=C(C)/C=C/C=C\[C@@H](O)[C@H](O)/C=C(C)/C=C/C=C/C(=O)N1 43219822 ALYLZDHKQZUVDF-ALUQVVEISA-N 423.597 5.017 0 1 HKAF in-vivo O=C(C1CCN([C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)N1CC=CC1 45187824 DMZIVAAPUKWFTJ-QFIPXVFZSA-N 415.364 5.193 0 1 HKAF N[C@@H]1CCCN(Cc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)s3)cc2)C1 45227384 NMHDHZKEFJAKAH-GOSISDBHSA-N 406.530 5.021 0 1 HKAF CC(C)=CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2c(CC=C(C)C)c1O 45336495 JXXYCUMVUBDEHK-UHFFFAOYSA-N 418.489 5.912 0 1 HKAF Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cccc(CO)c2)c1 45352446 CQEKMSRTDPXHST-UHFFFAOYSA-N 409.407 6.514 0 1 HKAF FC(F)(F)Oc1ccccc1Oc1ccc(Nc2ncnc3cc[nH]c23)cc1Cl 73168347 HCONVOOBXMEDII-UHFFFAOYSA-N 420.778 6.046 0 1 HKAF COc1ccc(Sc2cnn(Cc3cccc4ccccc34)c(=O)c2Cl)cc1 73417537 ZRKAWZPZCAHNQH-UHFFFAOYSA-N 408.910 5.258 0 1 HKAF O=C(O)CC1CCC(c2ccc(Nc3nnc(Cc4ccccc4)s3)cc2)CC1 84603794 ORHJJMMGHHLZEJ-UHFFFAOYSA-N 407.539 5.621 0 1 HKAF CC(C)CC(=O)N(c1ccc(C(C)(C)C)cc1)[C@@H](C(=O)NC(C)(C)C)c1cccnc1 95597439 ABJGQRIVQOOHSK-HSZRJFAPSA-N 423.601 5.414 0 1 HKAF COc1ccc(Oc2c(Cl)cnn([C@@H](C)c3cccc4ccccc34)c2=O)cc1 95598192 QHVNTQKWEYUHDF-HNNXBMFYSA-N 406.869 5.460 0 1 HKAF O=c1c(CC[C@H](O)c2ccc(O)cc2)coc2cccc(OCC3CCCCC3)c12 96258470 YURJXMTYTWJRMP-NRFANRHFSA-N 408.494 5.124 0 1 HKAF C[C@@H](Oc1c(N)ncc2c(-c3ccncc3)coc12)c1c(Cl)ccc(F)c1Cl 96273076 WSHKNNQVBXNHST-SNVBAGLBSA-N 418.255 6.058 0 1 HKAF Cc1cc([C@@H](C)Nc2ccc(Cl)c(CN3CC[C@@H](C(=O)O)C3)c2)cc(C)c1Cl 118401654 UEOZRXPTALKHHO-HZPDHXFCSA-N 421.368 5.690 0 1 HKAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCC(=O)c1ccc(O)cc1 143628659 FHGZNIDQJQMEQT-HZJYTTRNSA-N 413.602 6.505 0 1 HKAF Oc1nc(S)sc1Cc1cc(Br)ccc1OCc1ccccc1 169719358 SQPIGKUYPRZEGB-UHFFFAOYSA-N 408.342 5.070 0 1 HKAF CCOP(=O)(OCC)[C@H](N(O[C@@H](C)c1cc[n+](C)cc1)C(C)(C)C)C(C)(C)C 222043240 SRYWXYURLCJIIJ-HKUYNNGSSA-N 415.535 5.243 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@@]12C 255269549 SZLHPSKURYFPPQ-PUEKBMEESA-N 410.730 9.364 0 1 HKAF O=C(O)CC/C=C\C[C@@H]1CO[C@@H](c2ccc(Cl)c(Cl)c2)O[C@H]1c1cccnc1 261117016 IXVZMIJUOSLLMR-VDXNQUHZSA-N 422.308 5.602 0 1 HKAF FC(F)(F)Oc1ccccc1O[C@H](CC1CNC1)c1ccc(Cl)c(Cl)c1 299834763 CGKMHQPZZRFYHQ-QGZVFWFLSA-N 406.231 5.622 0 1 HKAF Fc1ccccc1-c1cc(CN(c2ncccn2)c2nc3ccccc3s2)on1 473122711 JSQHDRUYVPFOKT-UHFFFAOYSA-N 403.442 5.219 0 1 HKAF OCCCCCCCCCCCc1nc2ccc(I)cc2[nH]1 586894772 ULJORAKNHURFFO-UHFFFAOYSA-N 414.331 5.213 0 1 HKAF CC(C)(C)c1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2n1 586957649 AINSSXHCGVXSSU-LJAQVGFWSA-N 403.551 5.294 0 1 HKAF Cc1c(-c2c(Cl)cccc2Cl)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586986720 RZAXSMFBYSBFFQ-UHFFFAOYSA-N 406.268 6.434 0 1 HKAF FC(F)(F)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 586998419 JGJBUWCYAQWKCX-RJRFIUFISA-N 411.177 5.243 0 1 HKAF CCOC(=O)c1ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c1 587015883 WQFCATOBASONHL-UHFFFAOYSA-N 418.305 5.837 0 1 HKAF Ic1cccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c12 587025783 NYWRAMYQNKKZFW-UHFFFAOYSA-N 402.260 5.563 0 1 HKAF Fc1cc2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc2cc1C(F)(F)F 587028883 BDYWKDLYAJSNNL-UHFFFAOYSA-N 417.391 5.242 0 1 HKAF N[C@H](Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1ccccc1Cl 587058670 IAAQTCNURSUISI-MRXNPFEDSA-N 404.926 5.736 0 1 HKAF COC(=O)c1cccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 587067967 DJGJMXLQVGALIB-UHFFFAOYSA-N 418.840 5.116 0 1 HKAF CCCCCOc1cc2nc([C@@H](C)n3cc(Cl)cn3)[nH]c2cc1Br 587080725 XWRIWRLPMFRIQJ-LLVKDONJSA-N 411.731 5.354 0 1 HKAF FC(F)(F)c1cc(Oc2ccc(-c3nc4ncccc4[nH]3)cc2)cc(C(F)(F)F)c1 587109171 CDLJQDXWUGKOFQ-UHFFFAOYSA-N 423.316 6.455 0 1 HKAF COc1c(F)ccc(F)c1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587132642 GYERUSORGXAKSX-UHFFFAOYSA-N 407.136 5.298 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c(F)c1 587144338 IQSUFNXJIZNWAV-UHFFFAOYSA-N 400.331 5.460 0 1 HKAF Fc1ccccc1CCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587150448 QBKLMOVAJMZFDM-UHFFFAOYSA-N 403.173 5.148 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3ccccc3C(=O)c3ccc(F)cc3)nc2c1 587163118 KSMSAGTYTBSLIK-UHFFFAOYSA-N 409.258 5.671 0 1 HKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 587240428 DPSZATZTJNMULE-UHFFFAOYSA-N 400.482 5.334 0 1 HKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc(F)cc(Br)c3[nH]2)c1 587241698 GHMQZEVRMRQCAX-UHFFFAOYSA-N 404.283 5.506 0 1 HKAF O=C1c2ccc(O)cc2OC2(CCC(c3ccc(F)cc3)CC2)[C@@H]1c1ccc(F)cc1 587338075 SUYZCPWKRGPQMC-RNUHEBNVSA-N 420.455 6.126 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(F)(F)F)c(Br)c1)O2 587381723 KJAPCCRFFSSVKB-OAHLLOKOSA-N 400.194 5.065 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2ccc3ccccc3c21 587408184 NQZKKKLXZMICAJ-HHHXNRCGSA-N 405.453 5.184 0 1 HKAF COc1ccc([C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1 587422745 ZPDPLRSSJBTMQQ-DVECYGJZSA-N 406.865 5.048 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc3cccc(C(F)(F)F)c3s1)CC2=O 587464491 RJSACGUAMALWNZ-KRWDZBQOSA-N 406.425 6.285 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCc3sc(Br)cc31)CC2=O 587497389 VXEAKYIECZGZSX-LJQANCHMSA-N 407.329 5.366 0 1 HKAF O=C1C[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)Oc2c1ccc1c2CCCC1 587499231 HZJPJFZCPZWENS-RUZDIDTESA-N 418.920 6.504 0 1 HKAF CCc1oc2ccc(C(C)=O)cc2c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587533754 SWTODYJTQZXDKG-AREMUKBSSA-N 402.490 5.957 0 1 HKAF COc1cc(C)ccc1OCc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587564446 RSOWVZLZTODZLO-UHFFFAOYSA-N 419.319 5.256 0 1 HKAF CCCCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587593837 FEKDJAFYBXZRBR-RDGATRHJSA-N 404.462 5.448 0 1 HKAF CCOC(=O)/C(=C\N(C)C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CC 587625412 HKLOHOMVMAPVSZ-XFXZXTDPSA-N 422.369 5.234 0 1 HKAF Cc1cc(Cl)cc2c1OCCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587699519 QNLTVONRMUNWTD-FKIZINRSSA-N 424.741 5.500 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccc(Cl)c(Cl)c2)N1 587700598 ZLBBOBPOMSITHQ-MGPLVRAMSA-N 417.149 6.103 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(C(F)(F)Cl)N1 587704601 JUTFUYYXIKOMBA-APPDUMDISA-N 418.684 5.392 0 1 HKAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)c1 587712790 QNXIDJFIXOXGIW-XYZCENFISA-N 418.228 5.239 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OC(F)(F)F)c2)N1 587721805 QBGKTJPIMCUZBL-BTDLBPIBSA-N 418.228 5.285 0 1 HKAF Cc1nn(-c2ccccc2)c(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587753157 ABPRQQDCAATDPL-GTJPDFRWSA-N 414.322 5.014 0 1 HKAF CCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587791292 HFNBVFRDVQKPOI-MPBGBICISA-N 408.311 5.009 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1/C=C(/C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812998 ACPNTFOCHHNTHV-JXWTYZDJSA-N 420.410 6.666 0 1 HKAF CC[C@H](C)c1ccc([C@@]2(CC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587814224 SEINDEGLXSIIRS-AYSMAOOMSA-N 404.367 6.290 0 1 HKAF Cc1cccc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587815987 SEJWYCLOMKNPTB-HJPURHCSSA-N 410.330 5.723 0 1 HKAF Cc1ccccc1-c1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587821048 SPQBPZIHBZBWBF-IQMFZBJNSA-N 410.330 6.187 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2C[C@H]2c2ccc(Cl)s2)N1 587845261 DERRFNCZYRZXDT-MARJWRBISA-N 414.771 5.856 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3cccs3)s2)N1 587851211 BHPVUJBIGBQOSY-ABKXIKBNSA-N 409.349 5.397 0 1 HKAF O=C(c1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1)n1nc2cc1Oc1ccc(F)cc1-2 587874092 QCERQKHEMJPJHU-UHFFFAOYSA-N 415.211 5.180 0 1 HKAF c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@H](c1ncc(C2CCCCC2)[nH]1)C3 653730493 JXVGPGJMRYIUJF-JTHBVZDNSA-N 404.558 5.293 0 1 HKAF COc1ccccc1[C@]1(c2ccccc2F)NCCc2cccc(-c3ccccc3)c21 962665972 SBUMSJONINHRJU-NDEPHWFRSA-N 409.504 5.939 0 1 HKAF Cc1cc(C)cc([C@@]2(CCc3ccc(F)cc3)c3ccsc3CCN2C(N)=O)c1 962715631 SGRBVTGQJAMVSU-DEOSSOPVSA-N 408.542 5.317 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCN(Cc3ccccc3)c3ccccc32)N1 962944896 IFQOBNDWYQMDNH-KMRXNPHXSA-N 407.561 5.746 0 1 HKAF CCC[C@H](C)COc1ccc([C@@H](NC(=O)[C@@H](CC)c2ccccc2)C(=O)OC)cc1 1772608454 WYYVXRVPPPPZTI-OFAXGOBFSA-N 411.542 5.026 0 1 HKAF Cn1c2ccc(-c3cccc(C(=N)N)c3)cc2c2cc(-c3cccc(C(=N)N)c3)ccc21 1857549504 QQICRMPSNHDWIP-UHFFFAOYSA-N 417.516 5.234 0 1 HKAF Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(Cc2ccccc2)CC1 1857554706 LGACBJNQGCPNDQ-UHFFFAOYSA-N 400.953 5.932 0 1 HKAF Cc1cc(O)cc2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CO)CC2 1857566629 BCXUWFJENSOESD-JLFWUPFSSA-N 418.662 7.196 0 1 HKAF FC(F)(F)c1cccc(-c2cc3c(Nc4ccc5c(c4)OCCO5)nccc3[nH]2)c1 1857591757 GTLRDPQNERNWNH-UHFFFAOYSA-N 411.383 5.764 0 1 HKAF Fc1ccc(-c2nc3sccn3c2CNCCc2ccc(Cl)c(Cl)c2)cc1 1857606101 ACYYAKYCHSRGFX-UHFFFAOYSA-N 420.340 5.841 0 1 HKAF CC(C)=CCC[C@@]12C(=O)CC[C@@H](C)[C@]1(C)CC[C@@](C)(O)[C@H]2Cc1c[nH]c2ccccc12 1857650113 KPIWQVIPQWGFNG-VFRRUXMTSA-N 421.625 6.610 0 1 HKAF CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3C[C@H](F)c3cccnc32)CC1 1911574486 XFNHWMQOTLCYCD-IBGZPJMESA-N 400.881 5.356 0 1 HKAF CC(=O)[C@]1(C)CC[C@@H]2[C@](C)(CC[C@]3(C)[C@@H]4CC(C)(C)CC[C@@]4(C)CC[C@]23C)C1=O 2356393173 BWVGMWKHJWXDRJ-WFJLUAAKSA-N 400.647 7.000 0 1 HKAF CC(C)=CCc1cc(Br)c2c(c1O)[C@]1(CC=C(C)C)CCN(C)[C@H]1N2 2356510652 HFPWSDSFBVKNTG-RTWAWAEBSA-N 405.380 5.345 0 1 HKAF CC(=CCc1cc(C(=O)O)ccc1O)CCC1=C(C)CC[C@H]2C(C)(C)CCC[C@@]12C 2356600619 RIYHRKNIDKXDII-IGKIAQTJSA-N 410.598 7.302 0 1 HKAF CC1=CC[C@@H]2[C@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)O 2356693212 BSSGYOHVEPJDRQ-OQDMSICVSA-N 422.562 5.064 0 1 HKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 2356797955 OQSIUSSWMZBKFL-CSNVCIFRSA-N 416.646 6.453 0 1 HKAF Cc1nc2cc(O[C@@]3(C)CCN(Cc4ccc(OC(F)(F)F)cc4)C3)ccc2s1 61903025 DVGXVSCZEWXRCE-FQEVSTJZSA-N 422.472 5.547 0 3 HKAF CCSc1nc2c(C)ccnc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 586416 OPQSNPPFWPEOSF-UHFFFAOYSA-N 403.507 5.265 0 1 HKAF O=C(NCCc1c[nH]c2ccccc12)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 773600 ACPLQRNVQPSLEJ-UHFFFAOYSA-N 415.424 5.195 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C=O)Oc1ccc(F)cc1-3 13527220 DTHAYAUUSLOISY-MSXFZWOLSA-N 411.476 6.803 0 1 HKAF CCCCc1oc2ccccc2c1-c1ccc(-c2ccc(OCC(=O)O)cc2)cc1 13806745 KJFDROIUDKGBHI-UHFFFAOYSA-N 400.474 6.573 0 1 HKAF COCc1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C1CCCC1 26268053 QFGLDTYKBHQKAW-UHFFFAOYSA-N 414.509 5.734 0 1 HKAF COc1ccc(Cc2ccc(O[C@](C)(Cc3ccc(Cl)cc3)C(=O)O)cc2)cc1 27552674 XUMSYZMCAPJRIH-XMMPIXPASA-N 410.897 5.404 0 1 HKAF CCN(CC)CCNc1ccccc1-c1ccccc1NC(=O)Cc1ccccc1 27722507 WERSQBOBZRPRHJ-UHFFFAOYSA-N 401.554 5.289 0 1 HKAF O=C1OC[C@H]2[C@@H]1Cc1ccc(F)cc1[C@@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1 28823217 BEWNXUIFEFYIAT-TVUVQBGUSA-N 403.428 5.169 0 1 HKAF O=C(NCCCCCCCCc1ccccc1)Oc1cccc(-c2ccccc2)c1 40421216 IKKKZTIUGOILBU-UHFFFAOYSA-N 401.550 7.025 0 1 HKAF in-vivo COC(=O)c1ccc(NCc2cncn2Cc2ccc(F)cc2)cc1-c1ccccc1 40430332 ZEBHOILHJUIBIA-UHFFFAOYSA-N 415.468 5.136 0 1 HKAF CNC(=O)c1cccc(Oc2cccc(-c3c(C)cnc4c(Cl)cccc34)c2)c1 40866537 CGUCJIOARZYDCJ-UHFFFAOYSA-N 402.881 6.016 0 1 HKAF Cc1cc2nc(-c3ccc(F)cc3)c(-c3ccnc(N[C@H](C)C(C)C)c3)nc2cc1C 45315749 OGZQKKGLYOATPJ-GOSISDBHSA-N 414.528 6.571 0 1 HKAF CS(=O)(=O)c1cccc(Oc2cccc(-c3ccnc4c(Cl)cccc34)c2)c1 45352154 IKEBXOQTSPUHRL-UHFFFAOYSA-N 409.894 5.751 0 1 HKAF CC[C@]1(c2ccsc2)OCC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21 45498261 BIADWZCQGLJVOB-OAQYLSRUSA-N 401.890 5.830 0 1 HKAF O=C(O)[C@@H]1CCCN(CCO[C@@H](c2ccc(Cl)c(Cl)c2)C2CCCCC2)C1 58511584 ZYYYOOSODGRELM-YLJYHZDGSA-N 414.373 5.428 0 1 HKAF c1ccc(CCCCNc2nc(NCCCCc3ccccc3)c3ccccc3n2)cc1 72180423 VPTMSQFECUTIHD-UHFFFAOYSA-N 424.592 6.499 0 1 HKAF CCn1c2ccccc2c2cc(CN3CCC4(CC3)c3ccccc3C[C@H]4O)ccc21 73224937 SESRVNICJGOYGC-HHHXNRCGSA-N 410.561 5.265 0 1 HKAF CCCC/C(=C(\c1ccccc1)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1 90416453 QKOFJVGNHOACBX-IZHYLOQSSA-N 405.563 6.207 0 1 HKAF O=C(Nc1noc2ccccc12)N1CCC(c2nc(-c3ccccc3)cs2)CC1 95584589 YRZYEJJXFLWBJT-UHFFFAOYSA-N 404.495 5.363 0 1 HKAF O=C(O)c1cc2ccc(-n3c(S)nnc3-c3ccc(Cl)c(Cl)c3)cc2s1 96273203 KQHRDKJLOSSRER-UHFFFAOYSA-N 422.318 5.443 0 1 HKAF Brc1cccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1 96905421 HEDLVSGBBBGYOU-UHFFFAOYSA-N 401.307 6.592 0 1 HKAF Cc1cc(C)n2cc(CSc3nc(-c4ccccc4)cn3CCC(C)C)nc2n1 113420967 OEMCQUKNBUXRLD-UHFFFAOYSA-N 405.571 5.548 0 1 HKAF FC(F)(F)c1ccc(-c2ccc3c(c2)CNC[C@@H]3c2ccc(Cl)c(Cl)c2)nn1 114516154 AWYWUACFNBIOSL-OAHLLOKOSA-N 424.253 5.704 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 136700397 LGJMUZUPVCAVPU-HSBFNOIXSA-N 416.734 8.105 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2cccc(N(C)C)c2)n1 141934409 RBLRPPZBVGYIIG-KRWDZBQOSA-N 412.541 5.092 0 1 HKAF C[C@H]1CC[C@H](C)N1CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 146481756 DXTJWAKKLIVOBV-ROUUACIJSA-N 406.599 5.448 0 1 HKAF CCCCC1([C@@H](O)/C=C/[C@@H]2CCC(=O)[C@@H]2CCCCSCC(=O)OCC)CCC1 169315236 OKBAXITUKPXETI-MFHOXIRPSA-N 424.647 5.326 0 1 HKAF CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c3c(cc(O)c2c1=O)O[C@@H](C)C3(C)C 198929285 FJZJTEHPYMIMST-ZDUSSCGKSA-N 422.477 5.144 0 1 HKAF Cc1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1 221149878 BDRLJMABFMPEOH-MDWZMJQESA-N 402.471 6.472 0 1 HKAF Clc1ccc(NCc2ccccc2)cc1-c1ccnc2[nH]c([C@@H]3CCCNC3)cc12 226082072 SSXNDIBGHMMCCS-GOSISDBHSA-N 416.956 5.962 0 1 HKAF C[C@H]([C@@H]1CCCCCN1C)[C@H]1C=C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255204749 CYFQJGWMRWJPGL-AFLRKJBKSA-N 411.674 6.213 0 1 HKAF Cc1cc(Br)ccc1OCc1nc2cc(Br)cc(C)c2[nH]1 586981858 VQZCXCGCTYEBGE-UHFFFAOYSA-N 410.109 5.284 0 1 HKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(C(C)(C)C)nc2[nH]1 586982735 PFUOIUKTIUXOSP-MRXNPFEDSA-N 414.391 6.390 0 1 HKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cccc(OC(F)(F)F)c2[nH]1 587044744 QPOUFZIEAQMZLP-UHFFFAOYSA-N 407.175 5.453 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(F)c(F)c2[nH]1)c1cccc(Cl)c1 587069509 CBUAJHORQHTSDG-HNNXBMFYSA-N 407.848 5.303 0 1 HKAF Cc1cc(Cl)cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587070644 XSPZIXFQAKTNDY-RGEXLXHISA-N 407.344 7.352 0 1 HKAF Cc1cc(Cl)cc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c12 587072529 YLBBVZHOYJWHAK-MRXNPFEDSA-N 420.340 5.987 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cccc(F)c2[nH]1 587086352 GVURSGZQVMQGHV-MDZDMXLPSA-N 401.272 5.732 0 1 HKAF FC(F)(F)c1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(C(F)(F)F)c1 587095277 UNHWDHQRABPBHV-UHFFFAOYSA-N 402.294 5.429 0 1 HKAF C[C@@H]1CCCN(c2ccc(N)c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2)C1 587104410 GVYJRMBKIOTGIK-QGZVFWFLSA-N 419.528 5.932 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(-c4cn(C)cc4C(F)(F)F)[nH]c3c2)cc1 587115166 GOCXBLCPHWUSLW-UHFFFAOYSA-N 415.371 5.166 0 1 HKAF Oc1c(Br)ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 587128277 IPKIMWTWDHHJAP-UHFFFAOYSA-N 422.254 5.759 0 1 HKAF C[C@H](c1nc2ccc(C(C)(C)C)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587130264 RPQKNOWSFHHVAN-MRVPVSSYSA-N 402.823 6.195 0 1 HKAF CC(C)(C)OC(=O)N1CCc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2CC1 587212275 MXQOAJWGIBRFMA-UHFFFAOYSA-N 400.522 5.336 0 1 HKAF C[C@]1(c2c(F)cc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331239 IXUGDSNOEYSPKI-KNQAVFIVSA-N 402.343 5.223 0 1 HKAF COc1cccc(-c2cc(-c3cccc(C(F)(F)F)c3)nc3c2oc2ccccc23)c1 587358449 BMGPWBQNSBTMBX-UHFFFAOYSA-N 419.402 7.342 0 1 HKAF Cc1coc2c1[C@@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358616 WVAWRXBBULUXCA-RCZVLFRGSA-N 406.453 5.660 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(F)cc(OCc4ccccc4)cc1F)[C@@H](C2)C3=O 587423503 KYFGAPWVTZGIPX-XDHUDOTRSA-N 408.400 5.041 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccc(-c4ccccc4)cc1)([C@H]1CCCO1)[C@@H](C2)C3=O 587456509 WETMPBBQDHPLBS-CAKYRVLISA-N 412.485 5.184 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(F)ccc1SC(C)(C)C)CC2=O 587465814 GVYSHMVHUAEGAT-QHCPKHFHSA-N 402.531 6.255 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC(=O)Nc1ccccc1)(c1ccccc1)CC2=O 587471404 RVCYQQLLHLWPCI-SANMLTNESA-N 415.489 5.234 0 1 HKAF Nc1ccc2c(c1)OC(c1ccccc1)=C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587511656 RCCCBAQGHUWKBB-MHZLTWQESA-N 409.485 5.442 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN1CCC[C@@H](C)C1 587515246 RLWYKMXSBYEBQL-DWXRJYCRSA-N 419.565 5.512 0 1 HKAF C[C@@H]1CCCN(CCOc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)C1 587515606 VTHTYGACVLHKSD-BCHFMIIMSA-N 419.565 5.383 0 1 HKAF Cc1ccc(C(=O)[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587522137 HPBXDXWSHREPEG-MUUNZHRXSA-N 410.513 5.926 0 1 HKAF O=C(O)CC[C@@]1(c2ccc3ccccc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587528854 FLIYDMVCYGRWLS-SANMLTNESA-N 400.474 5.444 0 1 HKAF COc1ncc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1C 587531080 JMXGIITVQUOURD-HXUWFJFHSA-N 405.519 5.712 0 1 HKAF CC(C)C[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587548897 RABUMRYTXBPKFW-URXFXBBRSA-N 408.881 5.949 0 1 HKAF CC(C)CCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587599699 YZOMMTBNPAOJFE-DHLKQENFSA-N 404.462 5.520 0 1 HKAF CC(=O)c1c(C)cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587600956 DEMWIQOMGBQLCZ-RDGATRHJSA-N 402.446 5.223 0 1 HKAF CCOC(=O)C(=O)c1c(-c2ccccc2Br)[nH]c2c(C)cc(Cl)cc12 587623276 DBSONQZQEWATCN-UHFFFAOYSA-N 420.690 5.305 0 1 HKAF CCOc1ccc(-c2nn(Cc3ccccc3C)c(=O)c3ccccc23)cc1OCC 587669415 MAGKGJMEZUDJFA-UHFFFAOYSA-N 414.505 5.218 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2)(C(F)(F)F)N1 587709063 HQZAEPWDXOQMTL-FVMDXXJSSA-N 406.192 5.067 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)c(C(F)(F)F)c2)N1 587711267 JLARMQCSSYVUQJ-PWJLMRLQSA-N 422.647 5.884 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2)cc1O 587786121 IELWYRZJQCIQBM-UHFFFAOYSA-N 418.802 6.283 0 1 HKAF CC[C@H](C)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587805646 GWZOLNIMCFYDKT-OSRJUQGESA-N 406.339 5.734 0 1 HKAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12 587807975 MJYPXMPXOKBLNE-LAJNKCICSA-N 400.291 5.374 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2ccccc2)(c2ccccc2)N1 587816086 TYDUKZIDIPXECN-WNSKOXEYSA-N 424.313 5.249 0 1 HKAF CC(C)[C@]1(c2cc3ccccc3o2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587828177 MPOQDRNMYBIRRP-YEJXKQKISA-N 402.307 5.768 0 1 HKAF COc1ccc2sc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587855805 GXQKVLMFGAXAHH-APBUJDDRSA-N 406.320 5.435 0 1 HKAF CCc1cc2c(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)ncnc2s1 587863487 APGCAXPFFUDEOT-UHFFFAOYSA-N 404.417 5.134 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 587871095 ZOLFSWIOVXEYKC-MRXNPFEDSA-N 410.489 5.493 0 1 HKAF Cc1ccc(OCc2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)cc1 587923086 NIAKDXOZKSSTNK-UHFFFAOYSA-N 414.505 6.985 0 1 HKAF CC1(C)COC(c2cccc(-n3c(O)cc(-c4ccc(Cl)c(Cl)c4)c3O)c2)=N1 587936972 FGHYITXUJWATEE-UHFFFAOYSA-N 417.292 5.418 0 1 HKAF CCS(=O)(=O)c1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 587949872 LVNIUNZBHPVGGB-QINSGFPZSA-N 404.491 5.319 0 1 HKAF ClC(Cl)(Cl)c1nc(Oc2cccc(Br)c2)c2ccccc2n1 653864083 WCDGOMWDILRLMP-UHFFFAOYSA-N 418.505 6.011 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1ccc(-n2ccnc2)c(Cl)c1 962378730 ZJDGJZCWFFONHI-QFIPXVFZSA-N 408.958 5.073 0 1 HKAF CC[C@]1([C@H](C)c2ccccc2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962925099 PMPOSDBUVWSPIC-IEFSCDDCSA-N 417.505 5.192 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C[C@@H](C)CC(=O)O)(c2ccc(C)c(OC)c2)N1 962953166 KOWRGTHYVQRHLL-NNCILOIOSA-N 420.553 5.154 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](Cc2ccccc2)(c2ccccc2C(=O)O)N1 962956479 YGCLVECMKXFVON-XHCCPWGMSA-N 410.517 5.277 0 1 HKAF O=C(O)[C@@H]1CCC[C@H]1C[C@@]1(c2ccccc2F)c2ccc(F)cc2C[C@H]2CCCN21 963110323 QTXCGEJTTWIPPL-MZYVBUQCSA-N 411.492 5.120 0 1 HKAF CCC[C@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963218034 BMLFQOZICIMGSA-RBBKRZOGSA-N 415.320 5.184 0 1 HKAF COc1ccc(C[C@]2(c3ccccc3)c3cccc(Br)c3CCN2C)cc1 963290465 WHNHMRBBTDRGMY-DEOSSOPVSA-N 422.366 5.432 0 1 HKAF Cc1nc2ccc(C3CCNCC3)cc2c(=N[C@H](C)c2cccc(C(F)(F)F)c2)[nH]1 1857549749 VXPLFYVSXKLACJ-CQSZACIVSA-N 414.475 5.019 0 1 HKAF CC(=O)Nc1cccc(-c2cn3c(-c4ccc(Oc5ccccc5)cc4)cnc3cn2)c1 1857616799 LOLGMRSUUPHDTC-UHFFFAOYSA-N 420.472 5.814 0 1 HKAF COC[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]12 2356306085 CNPRURNPRXVSNA-UPQHOCQUSA-N 416.690 7.015 0 1 HKAF Cc1cc(O)c(C)c2c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c1ccc2c(=O)c3c(oc2c1)O[C@@](C)(CCC=C(C)CC(=O)CC(C)C)[C@@H]3C 2356647874 WODHGNNMBPUNHS-NSYGIPOTSA-N 412.526 5.788 0 1 HKAF COc1cc(C=CC(=O)O[C@@H]2CC(C)=CCCC(C)=C[C@@H](O)[C@H]2C(C)C)ccc1O 2356740980 ZRZPYTZFTKLERY-GZGNHOFSSA-N 414.542 5.035 0 1 HKAF CN1C[C@@H](c2c[nH]c3ccccc23)N(C)C[C@@H]1c1c[nH]c2cc(Br)ccc12 2356802581 SKUCPWBVTUHORN-FCHUYYIVSA-N 423.358 5.071 0 1 HKAF COc1ccc(CN2C[C@H]3CON(C)[C@H]3C[C@H]2c2ccc(-c3ccccc3)cc2)cc1 72137690 RYDJILMVSLOMLC-URORMMCBSA-N 414.549 5.171 0 3 HKAF CCCCCC[C@@H](CCCc1ccccc1OC)CN(CCCC)S(C)(=O)=O 201483582 YPDSBOHJSIINCW-NRFANRHFSA-N 411.652 5.666 0 3 HKAF O=C(NC1CCCCC1)c1c(-c2ccc(F)cc2)noc1-c1ccc(F)cc1Cl 2478296 GYBVNFPPUOJRSX-UHFFFAOYSA-N 416.855 6.003 0 1 HKAF C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4ccccc4F)cn3)[C@H]12 3940299 ACTVHPZIQJJNFW-ALOJTJLXSA-N 405.513 5.905 0 1 HKAF O=C1NCc2nc(Sc3ccccc3F)ccc2N1c1c(Cl)cccc1Cl 13587247 KSXXQEHURXYOHD-UHFFFAOYSA-N 420.296 6.040 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(C4(C)OCCO4)=CC[C@H]32)C1 17156410 RKDVZUVKDIUZHM-DRNFPMIHSA-N 402.575 5.260 0 1 HKAF O=Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1ccc(-c2ccccc2)cc1 26573117 JPXBJBNHLNNRMA-JOCHJYFZSA-N 410.492 6.154 0 1 HKAF CC[C@H]1C(=O)c2c([nH]c3ccc(Cl)cc3c2=O)C[C@@H]1c1ccc(C(F)(F)F)cc1 27099417 GEAHHPAGJYGKOM-HUUCEWRRSA-N 419.830 5.749 0 1 HKAF Cc1c(OCc2cccc(Sc3ccncc3)c2)ccc(C(=O)CC(C)C)c1O 28361757 SZCNAPWYKOMUEO-UHFFFAOYSA-N 407.535 6.055 0 1 HKAF CCn1c2ccccc2c2cc(S(=O)(=O)Nc3cc(Cl)nc(Cl)c3)ccc21 28702596 MHXBDKPMQIRJLG-UHFFFAOYSA-N 420.321 5.317 0 1 HKAF Cc1ccc(-c2csc(NC(=O)c3ccc(Nc4ccncn4)cc3)n2)cc1C 28952667 OWSDWQUQIIZEPS-UHFFFAOYSA-N 401.495 5.213 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC(=O)C2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 28972566 GQXHQDCLIABAJK-FYQXRWMHSA-N 406.610 6.638 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/C/C=C/CCC(=O)OC[C@@H](O)CO 29045010 JWPHORDRFVRZPP-XZWABGGOSA-N 402.575 5.361 0 1 HKAF Clc1ccc(OCCC[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 33493847 DUFVHGNXDANSDR-OAHLLOKOSA-N 409.744 6.486 0 1 HKAF Cc1ccc(Nc2nn3c([C@@H](C)c4ccc(CC(C)C)cc4)nnc3s2)c(C)c1 40940139 PMMXRBHWLFZZCW-KRWDZBQOSA-N 405.571 5.897 0 1 HKAF COc1ccc(/C(=C(\C)c2cc(OC)c(OC)c(OC)c2)c2ccccc2)cc1O 45352876 VFJNTAIAKQWDKI-LFVJCYFKSA-N 406.478 5.406 0 1 HKAF Cc1ccc2c(c1Br)N[C@@H]1[C@H](Cc3cccc4ccccc34)NCC[C@@H]21 58608865 UCLCHOONYIGMMV-ONTIZHBOSA-N 407.355 5.393 0 1 HKAF NCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 66097259 CPDOURDQZZGXQY-UHFFFAOYSA-N 423.601 5.666 0 1 HKAF O=c1c(Cc2ccccc2)c(-c2ccc(O)cc2)[nH]c2ccc(N3CCCCC3)cc12 72113124 JQDYTEODOOWHOT-UHFFFAOYSA-N 410.517 5.482 0 1 HKAF Clc1ccc(CNc2nc(NCc3ccc(Cl)cc3)c3ccccc3n2)cc1 72183187 DPWSGDUKXHUVTN-UHFFFAOYSA-N 409.320 6.161 0 1 HKAF CCCCCc1nc(-c2cnc(N3CCCCC3)nc2-c2ccc(F)cc2)oc1C 82164526 BJSIRVOVMCNFJE-UHFFFAOYSA-N 408.521 5.969 0 1 HKAF Clc1ccc(Cn2cc(-c3nnc(Nc4ccccc4)s3)c3ccccc32)cc1 84669583 KGGJAFDCRCYGFM-UHFFFAOYSA-N 416.937 6.605 0 1 HKAF FC(F)(F)c1ccc(-n2cnc(-c3ccccc3Nc3ccncc3)n2)cc1Cl 87722393 UOOCNDVRUGAXQN-UHFFFAOYSA-N 415.806 5.745 0 1 HKAF O=C(NCc1ccco1)c1ccc2[nH]c(COc3ccc(-c4ccccc4)cc3)nc2c1 95557879 VBTUYVBMTVQLAC-UHFFFAOYSA-N 423.472 5.332 0 1 HKAF COc1cc(-c2nc(C3CCC3)n3ccnc(N)c23)c(F)cc1Oc1ccccc1 96168064 OFKVPGWIJZLFNE-UHFFFAOYSA-N 404.445 5.186 0 1 HKAF CC(C)(C)Cc1c(-c2c(F)cccc2F)sc(N)c1C(=O)c1ccc(Cl)cc1 103226659 XVLSPLYKPRGOBW-UHFFFAOYSA-N 419.924 6.749 0 1 HKAF COc1cnccc1-c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1 139847443 WXUBBIPFLOMBBH-UHFFFAOYSA-N 422.444 5.052 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCc1ccoc1 166244063 LOJYRXSXXRYRCN-ZURUDOERSA-N 422.697 10.084 0 1 HKAF CCCCC1([C@@H](O)/C=C/[C@H]2CCC(=O)[C@@H]2CCCCCCCCC(=O)O)CCC1 169315218 QYZWGTJQKWCRIU-ZUIMKBANSA-N 406.607 6.065 0 1 HKAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)c3ccc(F)cc3)c2)[nH]1 169329434 LPKLUABJKODERE-UHFFFAOYSA-N 422.460 5.391 0 1 HKAF C/C=C(\C)C(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)O[C@](C)(CC(=O)O)CC[C@H]12 238741998 ZKBZRVVQDYSKMH-BULPHDDUSA-N 420.590 5.521 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4[C@@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255195911 AOQRDALGACAKHI-SKARXIEISA-N 414.718 7.881 0 1 HKAF CC(C)[C@H]1CC[C@@H]2[C@]3(C)CC[C@H]4C(=CC[C@H]5C(C)(C)CCC[C@@]54C)[C@@]3(C)CC[C@@]21C 255249839 NYHSEYGDWZMIEZ-YRPWDQEHSA-N 410.730 9.054 0 1 HKAF C/C(COC/C(C)=C1\[C@H]2[C@H](CC[C@H]2C)[C@@]2(C)CC[C@@H]12)=C1/[C@H]2[C@H](CC[C@H]2C)[C@@]2(C)CC[C@@H]12 255266966 SQOAFQJJZLXFIC-JCNULUILSA-N 422.697 7.820 0 1 HKAF CC(C)[C@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4[C@](C)(CC[C@@H]5C(C)(C)CCC[C@@]45C)[C@@]3(C)CC[C@H]12 255287687 ZRLNBWWGLOPJIC-XERJHYMESA-N 412.746 9.134 0 1 HKAF CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)c4ccccc4)c3)cc2s1 474602145 AMKJOZJHIFQMGK-UHFFFAOYSA-N 422.897 5.222 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2cnc(C(F)(F)F)cc2[nH]1 586980793 FUYUWMYBYYOYDP-UHFFFAOYSA-N 421.220 5.505 0 1 HKAF CCOc1cc2oc(=O)c(-c3nc4c(C)cc(C)cc4[nH]3)cc2cc1Br 586998408 IXLBUXRQIGAGLW-UHFFFAOYSA-N 413.271 5.114 0 1 HKAF Clc1ccc(Br)nc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587004896 BSJVOOSWFHRPJZ-UHFFFAOYSA-N 414.690 5.620 0 1 HKAF Clc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cn1 587018022 UALDXZZZJHYUFZ-UHFFFAOYSA-N 411.737 5.150 0 1 HKAF Cc1nc2[nH]c(COc3ccccc3C3SCCS3)nc2cc1Br 587038721 BLUGKERGZITQTP-UHFFFAOYSA-N 422.373 5.086 0 1 HKAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)n1 587118763 OPSFFHXZAAEUFF-UHFFFAOYSA-N 414.456 5.855 0 1 HKAF C[C@H](c1nc2cc(Cl)c(Cl)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587130258 RFUAOPZXNNHMLL-SCSAIBSYSA-N 415.605 6.204 0 1 HKAF Cc1cc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2cc1F 587131233 XTTDRNPHXOLWJW-UHFFFAOYSA-N 423.398 5.228 0 1 HKAF CC(C)(C)c1ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2n1 587158194 GXCDXYGOPOPVJY-HXUWFJFHSA-N 409.892 6.216 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 587159727 VOEIXQWCAXVEEZ-UHFFFAOYSA-N 404.338 5.525 0 1 HKAF Fc1ccc(-c2ccsc2-c2nc3c(OCc4ccccc4)cccc3[nH]2)cc1 587165035 JXKOWSVMCLDSII-UHFFFAOYSA-N 400.478 6.677 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cccc(C(F)(F)F)c2[nH]1 587191135 LBTYLSPXTFVPFD-KRWDZBQOSA-N 405.420 5.538 0 1 HKAF CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)c1coc2ccccc12 587280747 WXSZYEVTWDTMQQ-BJCBFJDFSA-N 404.594 8.761 0 1 HKAF CC(C)C[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328950 KYYWLFFYKIUBKB-ZCYQVOJMSA-N 424.899 6.485 0 1 HKAF CC(C)[C@@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329371 DVHGRZJBPSJGAY-VWNXMTODSA-N 412.407 5.720 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](c2nc(C)no2)C3)c1 587362128 FKQMENKCMDKEDE-INIZCTEOSA-N 411.461 5.621 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1nc3ccccc3[nH]1)(c1cccc(Cl)c1)O2 587377525 JPPNWWHFGNDELA-XMMPIXPASA-N 417.896 5.210 0 1 HKAF CCC[C@@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587379667 ZLAWMUVMUQGNIJ-IRLDBZIGSA-N 416.901 6.301 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1OCc1ccc(F)cc1)[C@@H](C2)C3=O 587427505 IHXFQAVEWUAHMY-CYFREDJKSA-N 424.855 5.555 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C[C@H]1CC[C@@H](C(=O)O)C1)(c1ccccc1)CC2=O 587480066 FAIQXKHHDBEYNK-RJYGXOMWSA-N 408.494 5.096 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCOc1ccc(Cl)cc12 587553165 UDFSHJHMIVIZIF-OFNKIYASSA-N 408.837 5.075 0 1 HKAF Cc1cccc([C@@]2(c3ccccn3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587588227 PTPRLGRBGIFEHH-BVAGGSTKSA-N 409.441 5.001 0 1 HKAF CCCCCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587594396 HGWRKYASPYOLPV-DHLKQENFSA-N 404.462 5.664 0 1 HKAF Cc1c(-c2cc(Br)ccc2OC(F)(F)F)[nH]c2c(C)cc(Cl)cc12 587623870 ATHSZVYDLXNYFX-UHFFFAOYSA-N 418.640 6.766 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCOc3ccc(Cl)cc32)N1 587694520 GZXCBKXBLPQGST-WYRIXSBYSA-N 410.714 5.192 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ccc(Cl)c2Cl)N1 587696003 OULSMPRASWSLNF-GYKQLYQFSA-N 423.540 6.172 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2[nH]c2ccc(F)cc32)N1 587727767 DHJAMVFNHCMCRV-MQJDWESPSA-N 417.297 5.323 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3ccncc3)c2)N1 587780142 YTJUCLQUSLKIIM-RCDICMHDSA-N 411.318 5.448 0 1 HKAF CCOc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCC 587802633 STKMBUACFLUACD-CWTRNNRKSA-N 408.311 5.009 0 1 HKAF COc1ccc2[nH]c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C)c2c1 587806052 UNAWVDRZEBAEKI-FVINQWEUSA-N 403.295 5.010 0 1 HKAF CCCC[C@@H]1Cc2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587822909 NRISASAQNHDWNY-SRVWHDFXSA-N 402.351 5.729 0 1 HKAF COc1cccc(C2(c3nc4cc(Br)c(F)c(F)c4[nH]3)CCCC2)c1 587932468 XXLCDIVJTYDPIF-UHFFFAOYSA-N 407.258 5.472 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3Br)NCCc3ccc(F)c(C)c32)cn1 962298533 MPTPAWFRWFOPGJ-QFIPXVFZSA-N 411.318 5.038 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1ccc(C)nc1)c1ccc(OC)c(OC)c1 963230516 PVSDLEGMHPJKEA-CCLHPLFOSA-N 416.565 5.356 0 1 HKAF Fc1ccc(Oc2ccnc3cc(-c4cnn(C5CCNCC5)c4)ccc23)cc1F 1772648591 FWIBRURKFFCMBI-UHFFFAOYSA-N 406.436 5.093 0 1 HKAF C=C1C(c2ccc(Br)cc2)=CC(=O)N1c1ccc(Br)cc1 1857544585 TUQVNKKTBHFXTO-UHFFFAOYSA-N 405.089 5.156 0 1 HKAF C[C@@]12CC3CC(c4cc(-c5ccc6cc(CO)ccc6c5)ccc4O)(C1)C[C@](C)(C3)C2 1857551724 YXNARYBBLFNDJA-ZOLHVZMQSA-N 412.573 6.953 0 1 HKAF C[C@@H](NCc1ccccc1)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857621947 HNPFUHUXZIRHMG-NOYCSSFESA-N 407.642 6.105 0 1 HKAF CC(=O)O[C@@H]1CC[C@H](C)[C@@]23C[C@@H](C[C@H](OCC=Cc4ccccc4)[C@]12C)C(C)(C)O3 2356336633 MJGSNPALXVHNAT-BVAGTOKMSA-N 412.570 5.411 0 1 HKAF C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CCC5=C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 2356570334 DWCSNWXARWMZTG-FIRKVUNCSA-N 414.630 5.714 0 1 HKAF CC(C)CC[C@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356675546 ZSNZJJYKGGJXRT-JCLHYDFLSA-N 418.662 5.330 0 1 HKAF C[C@H]1CCCC(=O)N[C@@H](c2ccccc2)[C@@H](C)CCCC(=O)N[C@H]1c1ccccc1 36381799 VXISWQYLXNBKND-JZKJUIAGSA-N 406.570 5.328 0 3 HKAF C[C@@]1(Cc2ccccc2OC(F)(F)F)C(=O)Nc2ccc(-c3ccsc3)cc21 61926864 CZJQEPDHGNJKKW-FQEVSTJZSA-N 403.425 5.766 0 3 HKAF O=C(NC1CCCC1)c1c(-c2ccccc2Cl)noc1-c1c(F)cccc1Cl 2484896 HVCBMXSNXPGDDP-UHFFFAOYSA-N 419.283 6.127 0 1 HKAF CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl 4296352 KPPBZGIBVMVMQU-PKOBYXMFSA-N 409.288 5.141 0 1 HKAF Cc1ccc2nc(-n3c(/C=C/c4ccccc4O)nc4ccccc4c3=O)sc2c1 6523016 MCYWAVDDYMQBJZ-ACCUITESSA-N 411.486 5.180 0 1 HKAF Cc1cc(C)c(NC(=O)c2ccc3nc(Nc4cc(C)nc(C)n4)sc3c2)c(C)c1 13536607 FZPNVVPNIZTSFM-UHFFFAOYSA-N 417.538 5.624 0 1 HKAF CN(C)CCCCCCCCCCCCNc1c2c(nc3ccccc13)CCCC2 13801247 RHFKCHRCTNMGMF-UHFFFAOYSA-N 409.662 6.988 0 1 HKAF Cc1ccsc1/C(=C\CCN1CCC=C(C(=O)O)C1)c1ccc(Cl)cc1Cl 13827946 NEISXONVBJEZHG-DVZOWYKESA-N 422.377 5.902 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 14141603 PRKPDIRLXGMLSU-JGWDAGQSSA-N 400.691 7.491 0 1 HKAF CC1=C(c2ccc(O)cc2)[C@@H](CCCCCCCCN2CCCC2)c2ccc(O)cc21 26578212 ABMNCHDDUSCEFX-SANMLTNESA-N 419.609 6.952 0 1 HKAF CCCN(CCC)[C@H]1CCc2cc(CCc3ccc(C(=O)OCC)cc3)ccc2C1 27327212 QZFDRUTWOSVQBO-SANMLTNESA-N 407.598 5.628 0 1 HKAF CC1(C)[C@H]2C[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2/C=C/[C@@H](O)COc1ccc(F)cc1 27554334 FBOACMAKXADYFB-JYJUHIFKSA-N 416.533 5.231 0 1 HKAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)COc2ccc(Cl)cc2)[C@H]2CC[C@@H]1C2 27556163 LXTJSOWJRUNEQA-BJYMLMSUSA-N 418.961 5.499 0 1 HKAF O[C@@H]1CCc2c(Cl)ccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2C1 29127331 DJTKBJVKWXYQKY-CQSZACIVSA-N 419.834 5.409 0 1 HKAF COc1ccc2c(c1)[C@]1(CCN(C)CCOCc3ccccc3)CCCC[C@@H]1C=C2 29474785 JJWLWAVPQJSGLV-SQHAQQRYSA-N 405.582 5.689 0 1 HKAF CCOC(=O)c1cccc(-c2cc(O)c(Sc3ccccc3C(C)C)c(=O)o2)c1 36124533 WLIOPFHPKLKOSK-UHFFFAOYSA-N 410.491 5.464 0 1 HKAF FC(F)(F)c1ccc(CCNc2nc(N3CCCCC3)nc3ccccc23)cc1 43202647 XDYFVNUVQBBRPD-UHFFFAOYSA-N 400.448 5.294 0 1 HKAF O=C(O)c1cn(Cc2ccc(-c3cccc4[nH]ccc34)cc2)c2c(F)cccc2c1=O 45340323 RLUBEIWDAGNHQD-UHFFFAOYSA-N 412.420 5.035 0 1 HKAF COc1ccc2c(CC(C)C)cc(-c3cc4c(C(C)C)cccc4nc3OC)cc2n1 64491866 GBIMPPSLQDRNPO-UHFFFAOYSA-N 414.549 6.789 0 1 HKAF COCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc(C)c2)n1 82173904 IVSMNNRTMQBFOX-UHFFFAOYSA-N 402.523 5.301 0 1 HKAF COc1ccccc1CNc1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2C)n1 82177635 ATWVQRGQPMRLOT-UHFFFAOYSA-N 416.550 5.813 0 1 HKAF CCCCCn1c(-c2cccc(O)c2)nc2c(NCc3ccccc3C)ncnc21 82180144 GOWLUEZMKAQQMU-UHFFFAOYSA-N 401.514 5.310 0 1 HKAF Clc1ccc2sc(NCCCNCc3ccc(Cl)c(Cl)c3)nc2c1 84617948 HGCOMCLMXWGJEH-UHFFFAOYSA-N 400.762 5.848 0 1 HKAF Cc1ccc([C@]23Sc4cc(Br)ccc4N=C2c2ccccc2C3=O)cc1 84723038 AJRCCTOZHDYRDN-QFIPXVFZSA-N 420.331 6.076 0 1 HKAF O=C1Nc2cc(Br)ccc2/C1=C(\c1ccccc1)c1nc2ccccc2[nH]1 84739139 BACZPYJUEZJHDY-VXPUYCOJSA-N 416.278 5.237 0 1 HKAF COc1cc2c(Nc3cccc(-c4csc(C)n4)c3)ncnc2cc1OC(C)(C)C 84741887 LFNUXARTILEPPR-UHFFFAOYSA-N 420.538 5.991 0 1 HKAF CC(C)C[C@H](C(=O)O)c1cc(Cl)c(OCC2CC2)c(-c2ccc3nonc3c2)c1 88282832 LDJKPCMRFDZALX-KRWDZBQOSA-N 414.889 5.546 0 1 HKAF OC[C@H]1CCCCN1CCc1ccc(Nc2nc(-c3ccccc3F)cs2)cc1 96273985 MAMJKOKHRZECFG-LJQANCHMSA-N 411.546 5.082 0 1 HKAF O=C(O)CCC/C=C\C[C@H]1[C@H]2C=C[C@@H](C2)[C@@H]1/C=C/[C@H](O)CCc1ccc(Cl)cc1 102182475 OWLWEPFVFFUXLA-RHSLCLOXSA-N 414.973 5.829 0 1 HKAF COc1ccc(CN(CCc2ccccc2)CCc2c[nH]c3ccccc23)cc1O 103278855 GXALFSGMDXYEMJ-UHFFFAOYSA-N 400.522 5.170 0 1 HKAF CSc1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)cc1 103887747 SCHFMHXUXFPLTO-FYSMJZIKSA-N 418.587 7.099 0 1 HKAF FC(F)(F)c1ccc(-c2ccc3c(c2)CN2CC[C@@]3(c3ccc(Cl)cc3)C2)nn1 114348402 PVPLKGUBRLAGAF-NRFANRHFSA-N 415.846 5.321 0 1 HKAF CC[C@@H](Nc1ccc(C)c(CN(C)CCC(=O)O)c1)c1cc(C)c(Cl)c(C)c1 118390693 MBPDMEVLUBJDGF-OAQYLSRUSA-N 402.966 5.735 0 1 HKAF O=C(CCCCCCCCCCCCCCCO)OCCCCCCCCCO 142658136 MXKLWIXSKGCDSK-UHFFFAOYSA-N 414.671 6.706 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C=C[C@@]21C)C(C)C 153018141 VRLUYJWAEHZDHW-VJSFXXLFSA-N 412.702 7.801 0 1 HKAF O[C@@H](CN1CCCCC1)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12 169333895 FKUDEKLUYHHKJU-NRFANRHFSA-N 401.337 5.728 0 1 HKAF Cc1ccc2c(c1)N[C@H](c1c(F)cccc1Cl)[C@H]1C(=O)C[C@@H](c3ccco3)CC1=N2 169722036 YXSNYFJSTBVWMJ-JKSZXPKPSA-N 422.887 6.383 0 1 HKAF C[C@@H]1c2ncn(-c3ccccc3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl 218520630 SAYIMIUULPUCOP-CYBMUJFWSA-N 419.834 5.304 0 1 HKAF CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)NC(C)=O)CC[C@@]4(C)[C@@H]3CC[C@@H]2C1(C)C 238756621 PKXJWGJRRLLOMM-LCQYJTQBSA-N 412.662 5.624 0 1 HKAF CO[C@H]1CC[C@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](N(C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 299850465 SUURJOMPZAFTED-MCLYPBNASA-N 403.695 6.781 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(CSc4ccc(C)cc4C)[nH]c3c2)cc1 586965495 ZMGPPLLXZVQZFK-UHFFFAOYSA-N 418.518 6.051 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(C(F)(F)F)ccc3O)nc3ccc(O)c1c23 586986607 OFTBHSDPDOLOIW-UHFFFAOYSA-N 407.347 5.543 0 1 HKAF Cc1ccc2c3c(cc(-c4cccc(NC(=O)C5CCC5)c4)nc13)-c1ccccc1C2=O 586996751 PKVPFGIQZDXARY-UHFFFAOYSA-N 418.496 6.160 0 1 HKAF CSc1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 586998683 NDGKRLKPIQZPGU-YRNVUSSQSA-N 411.324 6.478 0 1 HKAF Cc1c(Br)cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1C 587017529 MRQBSRNWCWOVJY-UHFFFAOYSA-N 419.735 5.781 0 1 HKAF FC(F)(F)C(F)(F)c1cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2cn1 587055671 WDMXDNVDMODMTJ-SNAWJCMRSA-N 408.157 6.089 0 1 HKAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587068703 BLYJYIYUIRXGFT-JTQLQIEISA-N 404.219 5.053 0 1 HKAF Cc1ccc2c3c(c(Cc4ccccc4)c([C@@H]4CCCNC4)nc13)-c1ccccc1C2=O 587096366 IQZCWZQWOUCFCP-HXUWFJFHSA-N 418.540 5.812 0 1 HKAF CC(=O)[C@H](SCc1ccccc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587103487 XXBOGOGMFOLDBE-MHZLTWQESA-N 423.537 6.318 0 1 HKAF O=C1c2ccccc2-c2c(Cc3cccc(C(F)(F)F)c3F)cnc3cccc1c23 587104740 WUNNAASDWHCZIS-UHFFFAOYSA-N 407.366 6.195 0 1 HKAF CCCOc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1OCCC 587106692 NICQYOFSMYJYRA-UHFFFAOYSA-N 423.512 6.691 0 1 HKAF CNc1c(F)cccc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587135957 SWRODKLRMHIUOY-UHFFFAOYSA-N 404.161 5.072 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc(OC)c(F)cc4[nH]3)cc2F)c1 587143005 JSXISQXUFJLHET-UHFFFAOYSA-N 400.812 5.846 0 1 HKAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587149238 IXPPWWJEXCLCCR-GOSISDBHSA-N 419.809 6.576 0 1 HKAF Fc1ccc(/C=C(/c2nc3cncc(Br)c3[nH]2)c2cccs2)cc1 587162354 AANCFURRYCLPSU-MDWZMJQESA-N 400.276 5.510 0 1 HKAF CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587163574 MOSMRKKLRIWMCC-OAHLLOKOSA-N 416.216 5.134 0 1 HKAF C[C@@]1(c2ccc(C(F)(F)F)nc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333441 VZNOCPBKAXDXPT-FPOVZHCZSA-N 417.358 5.219 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCSc3c(F)cccc32)[C@H]1c1ccc(F)cc1 587335697 OMDNUOJURYVRJF-REWPJTCUSA-N 410.441 5.421 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-c3ccc(Cl)cc3F)s1)O2 587384787 ITSLJPOGVIQVRL-OAQYLSRUSA-N 401.890 5.979 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc(-c3ccccc3F)nc1C)CC2=O 587468481 VONMZKQWAUGJIF-HSZRJFAPSA-N 411.498 5.796 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccn(-c3c(CC)cccc3CC)c1)CC2=O 587468845 BJMRRAZIPLGTQA-XMMPIXPASA-N 403.522 5.967 0 1 HKAF O=C1C[C@@H](c2ccc(COc3ccccc3Cl)o2)Oc2c1ccc1c2CCCC1 587503973 HPXBCVXXFJPWOJ-QHCPKHFHSA-N 408.881 6.097 0 1 HKAF O=C1C[C@]2(CCc3cc(F)c(Br)cc32)Oc2c1ccc1c2CCCC1 587510860 XUJAGZADEIZMIZ-NRFANRHFSA-N 401.275 5.274 0 1 HKAF O=C1C[C@@](c2ccccc2)([C@@H]2CCCc3ccccc32)Oc2c1ccc1c2CCCC1 587526145 RCCMMJLUVAGVIE-GGXMVOPNSA-N 408.541 6.546 0 1 HKAF Cc1ccc([C@@]2(CC(C)(C)CC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587529147 JQAFUUBEMDPFJA-SANMLTNESA-N 406.522 5.626 0 1 HKAF C[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543659 IKSAGVYBRMTNMB-RXVVDRJESA-N 411.251 5.032 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCSc1c(F)ccc(F)c12 587573111 XSAKHJFJVHHQHA-XMSQKQJNSA-N 412.413 5.023 0 1 HKAF Cc1onc(-c2ccc(F)cc2)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573713 XACRWWKYSLNNIT-RDPSFJRHSA-N 417.392 5.198 0 1 HKAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(C)C 587597088 SCTRGEKIZSAHFM-DHLKQENFSA-N 420.461 5.139 0 1 HKAF CCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCC)c1 587597241 QGIAXOMNTFQFRI-RDGATRHJSA-N 420.461 5.067 0 1 HKAF CC[C@]1(C)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2O1 587616895 NRBLVHSXXSHPKD-NQHRYMMQSA-N 402.446 5.201 0 1 HKAF CCn1c2ccccc2c2cc(NC(=O)c3c(C)[nH]c4cc(Cl)c(F)cc34)ccc21 587631707 JBWCLRQFWLUAGJ-UHFFFAOYSA-N 419.887 6.649 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cc(Cl)cc(Cl)c1 587654280 QZYRXVFLJDJEFH-UHFFFAOYSA-N 403.215 5.638 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCNc3ccc(Cl)cc32)N1 587702806 WQXHXOXGJLUBLH-NSPYISDASA-N 409.730 5.225 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2-c2ccc(F)cc2)N1 587734555 NZXBKAKNWSJNNJ-QKVFXAPYSA-N 415.281 5.413 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CC=C(CCCC(C)(C)O)CC2)N1 587820129 AEDGVMINZFWCLC-IVZHQMGZSA-N 424.398 5.831 0 1 HKAF Cc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 587831115 WMESWKIMIABRRS-ASSNKEHSSA-N 400.291 5.780 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CN3CCCCC3)s2)N1 587848919 PXLSCFSTOPMUII-RNODOKPDSA-N 423.395 5.259 0 1 HKAF CCOC(=O)c1ccc(-n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)cc1 587860618 ZLHZRHNCUVVGKB-UHFFFAOYSA-N 405.281 5.422 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 587868594 ORZPBTFJRXXCME-LSDHHAIUSA-N 421.806 5.070 0 1 HKAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(C)cc(Br)c3[nH]2)cc1 587933560 QLAVEIRRQVTMPL-HXUWFJFHSA-N 407.311 5.823 0 1 HKAF C(=C/c1ccccc1Oc1ccccc1)\c1nc2cccc(OCc3ccccc3)c2[nH]1 587951135 WVUWXGBIJUXUAV-VHEBQXMUSA-N 418.496 7.105 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(C)cc2[nH]1 587958823 IHJZYULPYOVUBQ-ZACMJQCDSA-N 416.653 8.726 0 1 HKAF Cc1ccc([C@]2(c3cc(F)cc(F)c3)NCCc3ccc(F)c(C)c32)cc1Cl 962148672 TVBCHPMOLXUMSH-HSZRJFAPSA-N 401.859 5.812 0 1 HKAF CCc1ccc([C@]2([C@H]3CC[C@H](C(=O)O)CC3)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963108856 PLTHMNPBNMQECR-QFIWYQEWSA-N 421.556 5.543 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@]2(CCc1cccc(C)c1C)C1CCCCC1 963256498 CRRHNKSBSHGEJB-SANMLTNESA-N 412.017 6.520 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@]2(C[C@H](C)CC(=O)O)c1ccc(Cl)c(C)c1 963258131 NQFYYXYPXHBCDA-MCMMXHMISA-N 422.352 5.201 0 1 HKAF NCCCCc1ccc(-c2ccc(-c3ccc(-c4cccs4)s3)s2)s1 1772607350 CZUYRJKGOXZGAC-UHFFFAOYSA-N 401.647 7.215 0 1 HKAF COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)C=Cc2ccccc2)cc1 2356289599 DVTCVHHMJPHVPH-HHHXNRCGSA-N 408.501 5.364 0 1 HKAF CC(=O)O[C@@H]1CC[C@H](C)[C@@]23C[C@@H](C[C@@H](OCC=Cc4ccccc4)[C@@]12C)C(C)(C)O3 2356336634 MJGSNPALXVHNAT-LBSUGMQUSA-N 412.570 5.411 0 1 HKAF CC(=O)O[C@H](C(=O)CC(C)C)C(C)=CCCC(C)=CCc1c(O)cc(C)cc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c3cccc(C(F)(F)F)c3)[C@@H](C2)[C@H]2CCCCN12 263590716 KIQSENCVZGIPGN-JUHPOPGZSA-N 424.507 6.076 0 3 HKAF CCn1c2ccccc2c2cc(CN3CCC4(CC3)c3ccccc3C[C@@H]4O)ccc21 3942855 SESRVNICJGOYGC-MHZLTWQESA-N 410.561 5.265 0 1 HKAF CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCCN(CC)CC 4213521 NTWQZQQTOMERJT-DQEYMECFSA-N 423.601 5.312 0 1 HKAF CC1(C)Oc2ccc3c(=O)c(-c4ccccc4)c(-c4ccccc4)oc3c2[C@@H]1C(=O)O 5742408 FGNMDOTVDZSLKX-OAQYLSRUSA-N 412.441 5.466 0 1 HKAF CC1=C[C@H]2c3c(CCC(=O)c4ccc(O)cc4O)ccc(O)c3OC(C)(C)[C@H]2CC1 13373034 WHRKASUSXQKVPY-MOPGFXCFSA-N 408.494 5.230 0 1 HKAF biogenic CC[C@H](/C(C)=C/c1cc(OC)c(OC)cc1OC)c1cc(OC)c(OC)cc1OC 13439511 GGIJVVURVQQPBB-IUYQLWOBSA-N 416.514 5.335 0 1 HKAF C[C@H]1[C@@H]2Cc3ccc(Nc4ccc(C(C)(C)C)cc4)cc3[C@@]1(C)CCN2CC1CC1 27981205 BBYJALUXOFWWNF-OOXLZHEQSA-N 402.626 6.662 0 1 HKAF O=C(Oc1ccc(Cl)cc1C(=O)c1cccc(Cl)c1Cl)c1ccccc1 28463138 JCVKGUGNMJNQHT-UHFFFAOYSA-N 405.664 6.097 0 1 HKAF c1ccc(C(c2ccccc2)c2c(OCCN3CCCC3)ccc3ccccc23)cc1 28955470 AZPGXYJQVXCLKQ-UHFFFAOYSA-N 407.557 6.495 0 1 HKAF CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c(C)c2)n1 40873458 MCUMGMYZZFHTMJ-UHFFFAOYSA-N 423.480 5.301 0 1 HKAF COc1ccc(C)c(N(C)[C@@H]2CCCc3nc(-c4c(C)cccc4C)cc(OC)c32)c1 40934484 NQEQEBYWTDYCLN-HSZRJFAPSA-N 416.565 6.205 0 1 HKAF COc1c(O)cc2c(c1CC=C(C)C)O[C@H]1c3cc(CC=C(C)C)c(O)cc3OC[C@@H]21 59204849 VFTCTZLSYLIKOO-CPJSRVTESA-N 422.521 5.734 0 1 HKAF biogenic,in-vitro CC(C)=CCC/C(C)=C\CC/C(C)=C/CC/C=C(/C)CC/C=C(\C)CCC=C(C)C 59206241 YYGNTYWPHWGJRM-FZSSMNSJSA-N 410.730 10.605 0 1 HKAF in-vitro c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3cccc4ccccc34)CO2)cc1 71316831 SKJSLEZNZRJKOD-XCZPVHLTSA-N 407.557 6.309 0 1 HKAF O=C1CCc2cc(-c3cncc(-c4cccc(OC(F)(F)F)c4)c3)cc3c2N1CC3 71329091 OXWROJAQBBVMLJ-UHFFFAOYSA-N 410.395 5.150 0 1 HKAF COc1ccc(F)cc1CNCCCNc1ccnc2cc(CCC(C)C)ccc12 72124822 HRGLEAFLRXALAK-UHFFFAOYSA-N 409.549 5.563 0 1 HKAF CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5cc(C)c(C)cc5[nH]4)c3c2)c1C 72178357 XUMNCOMGJUUQAN-UHFFFAOYSA-N 410.525 5.203 0 1 HKAF CCCCCn1c(-c2ccsc2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181233 KOHXXDSDPBIYHC-UHFFFAOYSA-N 411.962 6.011 0 1 HKAF Fc1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 84712960 PQCMVNMJGMKPBV-UHFFFAOYSA-N 422.301 6.053 0 1 HKAF CC(=O)O[C@@H]1[C@@H](C)[C@](C)(CCc2ccoc2)[C@H]2CCC=C(C)[C@]2(C)[C@H]1OC(C)=O 85669418 DANLEYGFRIKRTE-JYXTXJFPSA-N 402.531 5.094 0 1 HKAF CC(C)(C)c1ccc(Oc2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)cc1 96270334 ZCJZKKNGIRKQDZ-UHFFFAOYSA-N 415.464 6.829 0 1 HKAF NCCCCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 96271305 QPXOAHOUVISREY-UHFFFAOYSA-N 416.053 7.039 0 1 HKAF Fc1ccc(N(Cc2nc3ccccc3[nH]2)Cc2ccc(Cl)cc2Cl)c(F)c1 96922639 CZOJBTXOCGLJRM-UHFFFAOYSA-N 418.274 6.355 0 1 HKAF CCN(CC)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(S)nc(O)c32)cc1 103909880 RFPLFBFJXAXPBK-KRWDZBQOSA-N 424.570 5.167 0 1 HKAF CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1F)c1ccccc1 114546928 HMRPAKZNRVAKLG-BJTNWVBWSA-N 412.464 6.169 0 1 HKAF Nc1ccc(-c2cccc(F)c2)cc1NC(=O)c1ccc(CNc2ccncc2)cc1 141997928 VCHNZEBPEXGTFA-UHFFFAOYSA-N 412.468 5.334 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccc(Cl)cc2)cc1)C3 195083903 VPTOTYACZAFVTR-HABXLCISSA-N 421.968 5.684 0 1 HKAF CCCc1nc2ccc(NC(=O)N3CCC(c4noc5ccc(F)cc45)CC3)cc2o1 225007983 ZVWKGLGQTXILAQ-UHFFFAOYSA-N 422.460 5.472 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4[C@@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 255219655 IJWMVKBLTSNFEG-DJAXVUOFSA-N 412.702 7.657 0 1 HKAF Fc1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1F 586998904 RUPDCALVTSDXND-UXBLZVDNSA-N 401.210 6.034 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc4ncccc4c3[nH]2)C[C@@H]2CCCC[C@@H]21 587025992 JNHVTWRAIUURAU-NDXORKPFSA-N 416.550 5.248 0 1 HKAF C[C@H]1CCc2sc(-c3nc4cc(-c5nc6ccccc6s5)ccc4[nH]3)cc2C1 587034815 ZGBVHNKGCGDHCY-ZDUSSCGKSA-N 401.560 6.693 0 1 HKAF Cc1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Cl 587069660 LWHJICMKQMPNHW-XMHGGMMESA-N 407.344 7.352 0 1 HKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587070164 QFJLXIMRAJFBBA-HNNXBMFYSA-N 406.938 6.744 0 1 HKAF CC(C)COc1cc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2cc1Br 587088563 OROMADHUMZSXGL-NSHDSACASA-N 414.294 5.110 0 1 HKAF Cc1ccc(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1C(F)(F)F 587094497 ABQZIWCLFSWPCP-UHFFFAOYSA-N 408.729 6.033 0 1 HKAF Cc1nc(N2CCCCC2)ncc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096351 HUTSVOZGIVBHDO-UHFFFAOYSA-N 420.516 5.510 0 1 HKAF O=C(O)c1ccc(-c2cc(-c3nc4cc(Cl)c(F)cc4[nH]3)ccc2F)cc1F 587139004 ZGCDUUKZQZKSDA-UHFFFAOYSA-N 402.759 5.666 0 1 HKAF Nc1c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)ccc2ccccc12 587254457 QKZMHVIKRJUNDI-UHFFFAOYSA-N 422.204 5.626 0 1 HKAF C[C@@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327456 GPMYRKIJBIDLNV-REWPJTCUSA-N 414.379 5.407 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc(Nc3ccc(Cl)cn3)nc1C)O2 587411129 AZKCBKZMZAOHQR-HXUWFJFHSA-N 414.918 5.015 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccc(OCCCc4ccccc4)c1)[C@@H](C2)C3=O 587440935 IPSICHMOZRORAE-BKMJKUGQSA-N 400.474 5.196 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccc(C)cc4)c1)[C@@H](C2)C3=O 587443693 OZOHAGDAQCVEPB-LVXARBLLSA-N 416.473 5.080 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc(F)c(F)c3)cc1)CC2=O 587465849 HXVPHLCUBVOZDF-QHCPKHFHSA-N 410.416 6.122 0 1 HKAF CCOC(=O)[C@@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502775 BBXRLQJLPMTUPI-QFIPXVFZSA-N 418.411 5.008 0 1 HKAF O=C1C[C@](c2ccc(Br)cc2)(c2ccco2)Oc2c1ccc1c2CCCC1 587505111 UTFQURGBCOSLRF-QHCPKHFHSA-N 423.306 5.830 0 1 HKAF O=C1C[C@H](CCc2cc(F)ccc2Br)Oc2c1ccc1c2CCCC1 587508096 YOZONVQDLAHBMW-INIZCTEOSA-N 403.291 5.434 0 1 HKAF O=C1C[C@]2(CCc3c(OCc4ccccc4)cccc32)Oc2c1ccc1c2CCCC1 587525119 QDKBJUTUFZNLOK-NDEPHWFRSA-N 410.513 5.951 0 1 HKAF CC(C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1Cc1ccc(Cl)cc1 587626816 XIPXQPLCDMLBQG-UHFFFAOYSA-N 419.796 7.573 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)ccnc2Cl)N1 587713111 ROBLABCPILPGSC-WJWGPLDTSA-N 423.635 5.279 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1OC(F)F 587715443 HSKIELMWBIADOY-APPDUMDISA-N 414.265 5.430 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccnc1 587754301 XXBHLTXMBNNJBP-XUSGNXJCSA-N 414.322 5.014 0 1 HKAF Cc1ccc(-c2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)no2)cc1 587790992 DVSOHUNLQKDEQT-ODXCJYRJSA-N 401.279 5.175 0 1 HKAF CC[C@H](C)Oc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587791121 ILOMQSIXFQNLQN-BHVCSQLQSA-N 422.338 5.398 0 1 HKAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC(C)C 587792363 KLCPBMVXDJKGFH-ASSNKEHSSA-N 422.338 5.255 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1csc2ccccc12 587861209 NETBCICLCPQWSF-UHFFFAOYSA-N 417.317 6.159 0 1 HKAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(C(F)(F)F)cc(Cl)c4[nH]1)(C3)C2 587949816 CTXWKWPKLLHVOE-ORMMXULVSA-N 412.839 5.389 0 1 HKAF CC/C(=C/c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccc(C)cc1 587966492 IHDLQTLCNCMPJA-WQLSENKSSA-N 409.249 6.603 0 1 HKAF Fc1ccccc1C[C@@]1(C(F)(F)F)c2ccsc2CCN1Cc1cccnc1 962996980 PSYAHOXBZDQUHC-FQEVSTJZSA-N 406.448 5.341 0 1 HKAF Cc1ccc(-c2nc(-c3ccc(Cl)cc3)n3c2-c2[nH]c4ccccc4c2CC3)cc1 1857535381 IBBWQOBCHRTIMD-UHFFFAOYSA-N 409.920 6.883 0 1 HKAF C[C@H]([C@@H](O)CCC(C)(C)F)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1857536513 HAAJKVUMSLGIDT-HRXHDCHZSA-N 420.653 6.452 0 1 HKAF CC(C)(C)c1nn2c(=O)cc(-c3cccc(C(=O)O)c3)[nH]c2c1-c1ccc(Cl)cc1 1857584119 JQKBTIHJIBUVAE-UHFFFAOYSA-N 421.884 5.006 0 1 HKAF CCCCN(C)CC(=O)Nc1ccc2c(ccn2Cc2ccc(C(F)(F)F)cc2)c1 1857615998 YYNNBOJGBKOVHW-UHFFFAOYSA-N 417.475 5.379 0 1 HKAF COc1ccc(N2C(=N)[C@H](c3nc4ccccc4s3)C(=O)[C@H]2c2ccccc2)cc1 1857621294 GATJXWISFAKGAK-NHCUHLMSSA-N 413.502 5.196 0 1 HKAF CN(C)C(=O)/C=C/c1cccc(-c2nc3c[nH]c4nccc-4c3n2C2CCCCC2)c1 1857637333 ZTGAHNNBSHOQDJ-VAWYXSNFSA-N 413.525 5.138 0 1 HKAF COc1ccc(COc2ccc(CNc3cccc(OC(C)(C)C(=O)O)c3)cc2)cc1 1857768041 QRSBSLXUFXAHEI-UHFFFAOYSA-N 421.493 5.128 0 1 HKAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@]3(C)CC[C@](C)(CCC(=O)O)C[C@@]3(C)CC[C@]21C 2356400788 KENPOJGXNZZKMX-ICVFAKLLSA-N 416.646 6.886 0 1 HKAF CC=C(C)C(=O)O[C@@H]1[C@@]2(C)C=C[C@@]13CC[C@H]1[C@@](C)(CCC[C@@]1(C)C(=O)O)[C@H]3CC2 2356496539 XAGOABKVVNRUKC-HMXPBYQRSA-N 400.559 5.528 0 1 HKAF O=C(Nc1ccc(F)c(Cl)c1)[C@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 61905679 WPNBMLPXHADMHP-GOSISDBHSA-N 403.240 5.137 0 3 HKAF COc1ccc(C(C)=O)cc1C[C@@]1(C)C(=O)Nc2ccc(-c3ccccc3OC)cc21 61926241 URFFEDIUNMMOFH-AREMUKBSSA-N 415.489 5.026 0 3 HKAF Brc1cccc(-c2nc3c4ccccc4ccn3c2Cc2ccsc2)c1 95568392 BMEAKNVALRCCBJ-UHFFFAOYSA-N 419.347 6.569 0 3 HKAF C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)C4=CC[C@@]23C)O[C@@]12CC[C@@H](C)CO2 299872630 QCVKYDNFSXDPSW-GFOJVCQMSA-N 414.630 5.714 0 3 HKAF in-vitro Clc1ccc2nc(-c3c[nH]c4ccccc34)c(Nc3ccc4c(c3)OCO4)n2c1 4921930 SLCFFQXNVZMOGK-UHFFFAOYSA-N 402.841 5.608 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O 13309939 KDUZVQDAWGTXTF-FRKPEAEDSA-N 406.478 5.812 0 1 HKAF endogenous,in-man COc1ccc([C@H](C)Cn2ccnc2NC#N)cc1OCCCCCc1ccccc1 13438999 MMMMGXJULDFOQE-HXUWFJFHSA-N 418.541 5.380 0 1 HKAF CCCCNc1ncc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(C(F)(F)F)n1 13555172 PLMORJHEWFLVRZ-UHFFFAOYSA-N 407.223 5.267 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccc(CO)cc2)CCCC1 13736853 HOVBKQVTAZGTHJ-UHFFFAOYSA-N 408.586 6.059 0 1 HKAF COc1ccc(C(=O)[C@@H]2C(=O)O[C@](C)(CC/C=C(\C)CCC=C(C)C)[C@H]2C)c(O)c1 15219171 KIPSERMYRVHHGN-HHPWMQEPSA-N 414.542 5.624 0 1 HKAF CC(C)=CC(=O)O/C=C/[C@H]1c2cc(C)oc2[C@]2(O)COC(C)(C)[C@@H]3CC[C@@]1(C)C[C@@H]32 15221698 HHCQPXDZMHHIQI-UHFSRUJHSA-N 414.542 5.127 0 1 HKAF CCCO[C@@H](Cc1ccc2oc(Cc3nc(-c4ccccc4)oc3C)cc2c1)C(=O)O 27308239 BIUHGCIUMXIJEI-QHCPKHFHSA-N 419.477 5.409 0 1 HKAF CC[C@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(Cc4ccccc4)oc3C)ccc21 28565420 PRGLXNBASSGNQE-GMAHTHKFSA-N 419.521 5.336 0 1 HKAF CCO[C@H](Cc1ccc(OCCCOc2ccc(-c3ccccc3)cc2)cc1)C(=O)O 28570407 GPWHFCGFEDGOTM-RUZDIDTESA-N 420.505 5.234 0 1 HKAF CCOC(=O)c1ccc(NCCCCCCCCCCCCCCCC(=O)O)cc1 29217840 NXPIXNXTGOZXOE-UHFFFAOYSA-N 419.606 6.821 0 1 HKAF CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)[C@H](COC)c1ccccc1 38149608 RTQPHBRRDAKJST-QGZVFWFLSA-N 421.381 5.213 0 1 HKAF CC(C)N(CC[C@](CCC1CCCCC1)(C(N)=O)c1ccccc1Cl)C(C)C 40632008 IMTYKBDLKBJZKB-DEOSSOPVSA-N 407.042 5.933 0 1 HKAF O=S(=O)(c1cccc2ccccc12)N1N=C2CCCC[C@H]2[C@@H]1c1ccc(F)cc1 42989056 PFSBBKSUGSPKCV-OFNKIYASSA-N 408.498 5.271 0 1 HKAF CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)cc(C(C)(C)C)n2)cc1 43120290 KMWZKNHCFZNBFL-UHFFFAOYSA-N 410.547 5.049 0 1 HKAF COc1cccc(OC)c1[C@H](Nc1ccc(C)cc1Cl)C(=O)CCc1ccncc1 52595034 OHZCUVCSIVLPOA-XMMPIXPASA-N 424.928 5.416 0 1 HKAF CCCCOc1cc2c(cc1OCC)C(/C=C\c1ccc(Cl)cc1Cl)=NCC2 64585713 FVNJFVMQOYVQHR-CLFYSBASSA-N 418.364 6.630 0 1 HKAF O=C(NC[C@@H](c1ccccc1)n1ccnc1)c1csc(-c2ccc(Cl)cc2)c1 70463131 VUQYJWCIEWHLQA-FQEVSTJZSA-N 407.926 5.284 0 1 HKAF Fc1cccc(Cl)c1[C@H]1C[C@@H](c2ccc(-c3ccccc3)cc2)Nc2ncnn21 72112588 JVJFBRNMJDNPSF-LEWJYISDSA-N 404.876 5.884 0 1 HKAF CCCCCCN(CCCCCC)C(=O)Cc1nc(-c2ccc(Cl)cc2)no1 72118439 AASGFFTVAMCPGA-UHFFFAOYSA-N 405.970 5.922 0 1 HKAF Cc1cn(-c2ccc(-c3ccc(N[C@@H](C)c4ccc(F)cc4)nc3)cc2Cl)cn1 72176850 KSXKPSRWWDZCFL-INIZCTEOSA-N 406.892 6.208 0 1 HKAF COC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)n2-c1cc(C(C)(C)C)[nH]n1 72178743 QBXSFEQYLUYSMX-UHFFFAOYSA-N 408.889 5.153 0 1 HKAF COc1ccc(Nc2nc(Nc3ccc(OC)c(F)c3)cc(N3CCCCC3)n2)cc1 73164161 BKSLIZMQZRUQNA-UHFFFAOYSA-N 423.492 5.110 0 1 HKAF C/C(=C\CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CO 78277786 CLACDUUQGFRYIM-CHRZYLMMSA-N 400.647 6.281 0 1 HKAF CCCCCn1c(CCc2ccccc2)nc2c(NCc3cccs3)ncnc21 82178374 LBUUKYBLHLLMLR-UHFFFAOYSA-N 405.571 5.475 0 1 HKAF O=C(Nc1ccc(F)cc1)N1CCn2cccc2[C@H]1c1ccc(C(F)(F)F)cc1 84654394 ALVVEJLHEPYYOQ-LJQANCHMSA-N 403.379 5.283 0 1 HKAF O=C(OC[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc4ccccc4c1)CN32)c1ccccc1 100912737 JTWKFTQCKFYFJH-YLAQVNODSA-N 409.529 5.563 0 1 HKAF CC1(C)[C@@H]2C[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2/C=C/[C@H](O)COc1ccc(F)cc1 101343812 FBOACMAKXADYFB-ROKTUOISSA-N 416.533 5.231 0 1 HKAF CCCCc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OCC)s1 103566954 YFXKWMJNLRVKHX-OAQYLSRUSA-N 401.572 6.098 0 1 HKAF Cc1nc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2)oc1C 105189043 KKBSDQXZWOEXOL-XNKDMPNBSA-N 402.542 5.898 0 1 HKAF CC(=O)N(C)[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(c5cccnc5)=CC[C@H]4[C@@H]3CC[C@@H]2C1 141035366 PFSKDVJWOZQJBX-MFHFRHMRSA-N 406.614 5.965 0 1 HKAF CCCCC/C=C/C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 212811093 FQYWAQLILQWTQT-BWEUBUMKSA-N 410.642 8.666 0 1 HKAF CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@H]5[C@H](C)N(C)CO[C@@H]5C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C 255219168 IBBJBVLTEQHUQV-ZUDQDPCPSA-N 414.678 5.300 0 1 HKAF CC(C)Oc1cc2nc(CCCCc3cccc(O)c3)[nH]c2cc1Br 586896225 MFJUXZRYJMVACF-UHFFFAOYSA-N 403.320 5.384 0 1 HKAF Cc1oc2c(c1-c1nc3c(Br)ccc(Br)c3[nH]1)C(=O)CCC2 586904420 WFEUZPJMCQADFC-UHFFFAOYSA-N 424.092 5.175 0 1 HKAF Clc1cc(Cl)c(Br)c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 586975016 ITPYTVYJTLEDBQ-UHFFFAOYSA-N 411.901 6.001 0 1 HKAF Cc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1Br 586978906 BYIGFOOVVGTOCQ-UHFFFAOYSA-N 401.489 5.112 0 1 HKAF CC(C)c1cccc2c1OCCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991526 OTGLMDDQCAACSD-UHFFFAOYSA-N 407.469 5.877 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1c([nH]c3ccc(Cl)cc13)CC4)-c1ccccc1C2=O 586993940 RWDQMFNSJYOFOP-UHFFFAOYSA-N 420.899 6.655 0 1 HKAF CN(C)C(=O)c1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 587040464 NIJCFXSSUVGGDB-UHFFFAOYSA-N 414.534 5.110 0 1 HKAF Cc1c(Br)cnc2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c12 587051668 RQHPMNHMCHIYIA-UHFFFAOYSA-N 423.097 6.263 0 1 HKAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cc(F)cc(Br)c3[nH]2)c1 587051682 SGJCQRCLUVDOAH-UHFFFAOYSA-N 410.674 5.379 0 1 HKAF CC(C)Oc1cc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2cc1Br 587055889 FLHAFBIFTQGAQP-AWEZNQCLSA-N 408.727 5.009 0 1 HKAF FC(F)(F)Oc1ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c1 587063308 STQMMWCXUIUFKG-UHFFFAOYSA-N 402.803 6.373 0 1 HKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(O)c(Br)ccc2[nH]1 587066264 LOSUGEFUDIUHOU-UHFFFAOYSA-N 402.679 5.451 0 1 HKAF CC(=O)c1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587071083 LGLIQGVERRAPAI-KPKJPENVSA-N 402.881 6.168 0 1 HKAF Cc1c(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587075632 KEHPZDHYIXPBJF-UHFFFAOYSA-N 414.900 5.209 0 1 HKAF FC(F)(F)COc1cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)ccn1 587091572 LINQBUZBXBGCEB-UHFFFAOYSA-N 411.689 5.118 0 1 HKAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3ccc(Br)cc3[nH]2)c1 587092320 CZLWDWQXQKZNNP-UHFFFAOYSA-N 409.127 6.030 0 1 HKAF CC(C)=CCOc1ccc(Cc2c(C)nc3cccc4c3c2-c2ccccc2C4=O)cc1 587107086 OKCYUUSLNUUUKZ-UHFFFAOYSA-N 419.524 6.690 0 1 HKAF Cc1c(F)cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1F 587132620 FXECACRMJYCFCK-UHFFFAOYSA-N 407.136 5.478 0 1 HKAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(C)c(Cl)cc3[nH]2)c1 587146923 BNEAPHRNNPGEJG-UHFFFAOYSA-N 410.832 5.705 0 1 HKAF Cc1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1F 587179586 YIYUDKDHXJFCEZ-UHFFFAOYSA-N 420.147 5.301 0 1 HKAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587195800 NMBJICSPHALHKK-SNVBAGLBSA-N 412.253 5.562 0 1 HKAF CCOC(=O)Cc1ccc2nc(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)[nH]c2c1 587196443 VPXIEYGYYQYBJG-UHFFFAOYSA-N 423.513 5.015 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(CCc4ccccc4)cc3)nc3cccc1c23 587206977 PTZBVRASYAEQEG-UHFFFAOYSA-N 411.504 6.898 0 1 HKAF CC(=O)[C@@H](SCc1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208598 CFYPBIUSBQVFKW-AREMUKBSSA-N 409.510 6.010 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(Sc4ccccc4)cc3)nc3cccc1c23 587208962 HQVCMWIJRSSLEF-UHFFFAOYSA-N 415.517 7.264 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3cccc(Cl)c32)[C@H]1c1ccc(F)cc1 587331410 PNEUNCHKUNEAIN-LADGPHEKSA-N 408.856 5.775 0 1 HKAF Nc1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1-2 587338087 QLMDRNHWUIZQPY-IGKIAQTJSA-N 423.443 5.397 0 1 HKAF Cc1cc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)oc2cc1C 587353888 OBZYSODLUWAPJA-AZGAKELHSA-N 416.448 6.169 0 1 HKAF CC(C)c1ccc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587357911 WPICCTCLOLOVQS-AZGAKELHSA-N 404.481 6.015 0 1 HKAF CCOC(=O)c1cccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1 587362982 NZJDGTLPQZYVGK-UHFFFAOYSA-N 423.468 6.500 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]31C)O2 587405151 UWRQKSQOEQGLQD-JUSCXTTPSA-N 417.549 5.543 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(-c3cc(Cl)ccc3Cl)cs1)O2 587413512 OZNIKSNUQQZCKD-QGZVFWFLSA-N 405.306 5.714 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1cc(C(C)(C)C)cc4c1CCC4(C)C)[C@@H](C2)C3=O 587445125 IEHJYIXIQDTDMI-IDISGSTGSA-N 404.550 5.879 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(Cl)cc3F)o1)CC2=O 587465625 FYFYINLXZSMOKN-OAQYLSRUSA-N 400.833 6.104 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCSc3ccc(Br)cc31)CC2=O 587495997 QWSHFGRFLLOFOO-HXUWFJFHSA-N 419.340 5.464 0 1 HKAF COc1ccc([C@@]2(CCCCCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524249 KYCFWGNBHNZDJJ-AREMUKBSSA-N 422.521 5.470 0 1 HKAF O=C1C[C@H](c2ccc(S(=O)(=O)CC3CCCC3)cc2)Oc2c1ccc1c2CCCC1 587532591 PJRGHBYESDWQNV-XMMPIXPASA-N 424.562 5.236 0 1 HKAF CN1c2ccccc2C2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587586154 HPBGOQAMIYHVTD-XMMPIXPASA-N 421.452 5.379 0 1 HKAF CN1CCN(c2c(-c3ccc(Br)cc3)[nH]c3ccc(F)c(Cl)c23)CC1 587628078 HIPCYEKAYZIFKN-UHFFFAOYSA-N 422.729 5.142 0 1 HKAF Cc1[nH]c2ccc(F)c(Cl)c2c1Oc1ccc2cc(Br)ccc2c1 587628379 NEWDDECKGBVQLN-UHFFFAOYSA-N 404.666 6.977 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(Br)c3)c([C@H](C)C(=O)O)c2c1 587639527 YUXJMXPSGVIBJH-STQMWFEESA-N 400.316 6.299 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2Br)N1 587679636 RHIDMXUPGIEBFJ-DYZYQPBXSA-N 413.128 5.148 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccc(Cl)cc2)N1 587704097 SAMRIOYYUFKWLY-KEWVOAJGSA-N 423.757 5.095 0 1 HKAF CC[C@]1(c2c(F)cc(F)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587721715 QFUJRPXHAODETO-YYSFKGJASA-N 402.229 5.193 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(C3CCCCC3)nc2)N1 587774335 MNOOBHSAAGQMMQ-HXPMCKFVSA-N 404.327 5.050 0 1 HKAF CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCC)c1 587800047 FDULOAHCIGUTHF-MPBGBICISA-N 408.311 5.009 0 1 HKAF Cc1cc(C)c2[nH]c(C)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587800540 BJJJNTXTIHJTDM-QKVFXAPYSA-N 401.323 5.618 0 1 HKAF CC(C)c1ccc2c(c1)[C@]1(CCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587836138 RTFOGEZHXGYQLZ-ASSNKEHSSA-N 404.323 5.272 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccccc3)o2)N1 587841620 BPVHQKUPHINLDX-ODXCJYRJSA-N 418.331 5.956 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2cc(C)cc(C)c2s1 587861005 IVJZVJHOXMXQCF-UHFFFAOYSA-N 418.349 6.471 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nnc(-c2ccccc2)s1 587866889 LXQKXSOKYLBRAC-UHFFFAOYSA-N 416.428 5.475 0 1 HKAF O=C(c1ccc(COc2ccc3c(c2)CCC3)o1)n1nc2cc1Oc1ccc(F)cc1-2 587874577 FNKBQFGNHWZLIV-UHFFFAOYSA-N 416.408 5.144 0 1 HKAF COc1ccc(C2(c3nc4cc(-n5cccn5)c(F)cc4[nH]3)CC3(CCC3)C2)cc1 587936029 PSYJHJAZGBUSBQ-UHFFFAOYSA-N 402.473 5.147 0 1 HKAF Cc1cc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2cc1C 587949028 MOCDNZPKDQGBBM-LNZPYGSCSA-N 404.554 6.464 0 1 HKAF C(=C/c1ccccc1Oc1ccccc1)\c1nc2ccc(Sc3ccccc3)cc2[nH]1 587951054 VSLSGRGHPSIPQT-OBGWFSINSA-N 420.537 7.677 0 1 HKAF CC/C(=C(/c1ccc(NC(=O)C(C)C)cc1)c1ccc(OC)cc1)c1ccc(O)cc1 653913923 SYCSKPZLMDUTTQ-OCEACIFDSA-N 415.533 6.364 0 1 HKAF Cc1cc(Cl)ccc1[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962928534 YVLZMXIITKGMKG-LADGPHEKSA-N 423.896 5.009 0 1 HKAF Cc1ccc([C@]2(Cc3ccc(Cl)cc3)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963020316 FNOQSJVGBBZLQE-BCHFMIIMSA-N 416.952 5.188 0 1 HKAF N[C@@H]1Cc2c(ccc3ccc(Br)cc23)O[C@H]1c1cc(F)c(F)cc1F 1772646996 NMQWKHULGQIBRC-MJGOQNOKSA-N 408.217 5.023 0 1 HKAF O=C(Cc1ccc(Oc2nc3ccccc3s2)cc1F)NCCc1cccc(F)c1 1857613095 RYZSYOKUQQVGIT-UHFFFAOYSA-N 424.472 5.268 0 1 HKAF CCC=CCC=CCC=CCC=CCC=CCCCC(=O)c1c(O)cc(OC)cc1O 2356437471 TWVROMMANBHSID-UHFFFAOYSA-N 424.581 7.211 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356492708 ARYTXMNEANMLMU-UBORPQKESA-N 402.707 7.715 0 1 HKAF CC1(C)C=Cc2c(c3c(c4c2O[C@@H](c2ccc(O)cc2)CC4=O)OC(C)(C)C=C3)O1 2356497703 WNISSJPEZNQAON-LJQANCHMSA-N 404.462 5.467 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@](C)(CCC2=CC(=O)OC2)[C@H]2CCC=C(C)[C@@]12C 2356569530 YZGKWHGGADYHRU-ARRBUVNDSA-N 400.559 5.537 0 1 HKAF CC(=CC=C[C@H](C)CCCc1ccoc1)CCC[C@H](C)C[C@@H]1OC(=O)C(C)=C1O 2356647399 LLUVPJMUQYMVHU-JTAQYXEDSA-N 400.559 6.695 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C(=O)[C@H](C)[C@](C)(CC[C@H](C)CC(=O)O)[C@@H]2CCC=C(C)[C@@]12C 2356677741 XCQRBNYBYVJECB-XQUHXZQGSA-N 418.574 5.343 0 1 HKAF O=C(Cc1c[nH]c2ccccc12)Nc1ccc(Nc2cccnc2)c(Br)c1 199263042 HEWUDSDZBDHIKU-UHFFFAOYSA-N 421.298 5.250 0 3 HKAF O=C(NCC1CCCCC1)c1c(-c2ccccc2Cl)noc1-c1ccsc1 774563 XLMJBWJROVNQRE-UHFFFAOYSA-N 400.931 6.034 0 1 HKAF C[C@@H]1CCc2sc(NC(=O)c3sc4ccccc4c3Cl)c(C(N)=O)c2C1 2485204 LTUVIRGBFIUAFB-SECBINFHSA-N 404.944 5.092 0 1 HKAF COc1ccccc1N1CCN(CCCC[C@H]2CCCc3c(OC)cccc32)CC1 13740679 FKAHRAYTSLFRRL-NRFANRHFSA-N 408.586 5.116 0 1 HKAF Cc1cc2ccc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)cc2c(N)n1 13835533 KDWBVFKRIZXKBI-UHFFFAOYSA-N 417.896 5.610 0 1 HKAF COc1c(O)c2c(c(OC)c1OC)O[C@](C)(CC[C@]1(C)CCC=C(C)[C@@H]1C)C=C2 14589325 HPDUVVVFJDKTNM-ZCWWJEROSA-N 402.531 5.745 0 1 HKAF biogenic CC(=O)OC[C@@H]1CC[C@@H]([C@H](C)CCC=C(C)C)c2cc(C(=O)O)cc(OC(C)=O)c21 15116880 KUKYWGGLHCZNPB-BPAFIMBUSA-N 416.514 5.217 0 1 HKAF biogenic CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC(=O)C2=C3C=CC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 28972562 XRXZKBAAJAKIMB-AXOAYYPZSA-N 408.626 6.430 0 1 HKAF COc1cc(NCCCCCCN2CCNc3ccccc32)c2nccc(C)c2c1 29568575 WHBQSXHJMILARQ-UHFFFAOYSA-N 404.558 5.456 0 1 HKAF Cc1c(C(=O)Nc2cnc3ccccc3c2)sc2ncnc(N3CCCC[C@@H]3C)c12 34864929 HELCBZCTOUMKFL-AWEZNQCLSA-N 417.538 5.179 0 1 HKAF FC(F)(F)Oc1ccc(Nc2nc(C(Cl)(Cl)Cl)nc3ccccc23)cc1 43077325 LWINXMQTKQINLF-UHFFFAOYSA-N 422.621 6.099 0 1 HKAF CNC(=O)c1ccc2c(c1)nc(NCc1ccccc1Cl)n2CC1CCCCC1 49036231 HSHHBNOFOMBRFJ-UHFFFAOYSA-N 410.949 5.242 0 1 HKAF COc1cc(O)c(C(=O)CCc2ccccc2)c(O[C@@]2(C(C)C)C=C[C@H](C)CC2)c1 59774089 GEIUOIVVQIIHRQ-SIBVEZHUSA-N 408.538 5.976 0 1 HKAF biogenic COC1(c2cccc(COc3ccccc3OCc3ccccc3)c2)CCOCC1 66078495 LMFJAGUTULBTEC-UHFFFAOYSA-N 404.506 5.497 0 1 HKAF C[n+]1cccc(N(CCCCCC2CCCCC2)c2ccccc2C(F)(F)F)c1 66166941 TXZGUGOYDZXQJF-UHFFFAOYSA-N 405.528 6.809 0 1 HKAF CCCCCc1nc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccccc2)oc1C 82162541 DVBIUJWWEKUDLU-AVRDEDQJSA-N 418.585 6.830 0 1 HKAF CC[C@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCCc3cccc(F)c3)ncnc21 82179483 KCAAUDTYGCJZPD-INIZCTEOSA-N 419.504 5.039 0 1 HKAF CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2cccc(Cl)c2)cs1 82193214 QRAMHOKCGHVHDL-JXFKEZNVSA-N 420.022 5.765 0 1 HKAF CC(C)C[C@H](Nc1nc(-c2cccc3ccccc23)cs1)C(=O)NCC(F)(F)F 82195324 DLCTYKCHPGPAGO-KRWDZBQOSA-N 421.488 5.468 0 1 HKAF O=C(CCCNc1nc(-c2ccc(Cl)s2)cs1)NCCc1ccccc1F 82195933 NDSFZUROPUJCDM-UHFFFAOYSA-N 423.966 5.215 0 1 HKAF CCN(CC)Cc1[nH]c(CNc2ccnc3cc(Cl)ccc23)nc1-c1ccccc1 95559224 ABSUCIFAFVLMAO-UHFFFAOYSA-N 419.960 5.732 0 1 HKAF CC(C)[C@H](N)CN1[C@H]2CC[C@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100847448 FJEFLHYWSUMBKN-WPFOTENUSA-N 414.540 5.050 0 1 HKAF COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccsc4)C3=C(O)C2)cc1 103940356 IRSNEXHJQIEMBX-OSPHWJPCSA-N 402.519 6.386 0 1 HKAF CC[C@@H](Nc1ccc(C)c([C@@H](C)N2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 118395076 HNPHZIORYCGVDZ-OPAMFIHVSA-N 400.950 5.597 0 1 HKAF O=C(O)c1ccc(NC(=O)c2cc3ccccc3nc2Oc2ccc(F)cc2F)cc1 143158253 CNSOPVQYPWXRLQ-UHFFFAOYSA-N 420.371 5.256 0 1 HKAF COc1cc(-c2nccc3ccc(-c4ccc5[nH]ccc5c4)cc23)cc(OC)c1OC 144370353 WBKMGZIPLUZPPR-UHFFFAOYSA-N 410.473 6.076 0 1 HKAF COC1CCC2(CC1)Cc1ccc(Br)cc1[C@]21CC(C)(C)SC(N)=N1 169700440 HEAYOYFPQWLFLJ-RGKRWLCDSA-N 423.420 5.006 0 1 HKAF Fc1ccc2c(CCCCN3[C@H]4CC[C@H]3c3c([nH]c5ccc(F)cc35)C4)noc2c1 253698714 RKKLLFDATFBVDR-AOMKIAJQSA-N 407.464 5.672 0 1 HKAF Cc1cc(-c2nc3nccc(Br)c3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586878256 BBKHYFPBQSJKDG-UHFFFAOYSA-N 408.255 5.061 0 1 HKAF CCCCOc1cc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2cc1Br 586881581 HGCPOEBAYXQFCL-HJWRWDBZSA-N 415.287 5.373 0 1 HKAF Cc1cc(C)c2nc(-c3ccc(S(=O)(=O)Nc4cccc(C)c4C)cc3)[nH]c2c1 586947056 JPNPRKOQHIBHEJ-UHFFFAOYSA-N 405.523 5.264 0 1 HKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(OC(C)C)cc2[nH]1 586983109 VSDVFCZGICQYFU-KRWDZBQOSA-N 415.375 6.485 0 1 HKAF Cc1ccc2c3c(c4c(nc13)C[C@H]4c1ncc3c(Cl)nccn13)-c1ccccc1C2=O 586994325 YBUOEVVTCSEJHR-MRXNPFEDSA-N 422.875 5.139 0 1 HKAF COc1cccc(-c2ccc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c(Cl)c2)c1 587052416 SHGJUALWKJXKQJ-UHFFFAOYSA-N 418.859 5.884 0 1 HKAF COc1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2cc1C 587068151 IUXQFOMWWFCYFF-UHFFFAOYSA-N 404.857 5.646 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(C4(c5cccc(Cl)n5)CC4)[nH]c3c2)cc1 587084386 LITPFSZUPORAHB-UHFFFAOYSA-N 419.868 5.270 0 1 HKAF C[C@@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccccc1C(F)(F)F 587096957 FNMLOUAETNBVJV-MRVPVSSYSA-N 408.729 6.286 0 1 HKAF Cc1ccc2c3c(cc(-c4cnc5ccccc5c4C(=O)O)nc13)-c1ccccc1C2=O 587098090 UZPDAMRACYUONQ-UHFFFAOYSA-N 416.436 5.668 0 1 HKAF CCOC(=O)c1ccc(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587098166 PSKOPQWQVODEPF-UHFFFAOYSA-N 407.469 5.522 0 1 HKAF COc1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2cc1Cl 587116327 DPEKMBXITNLGSG-UHFFFAOYSA-N 419.234 5.214 0 1 HKAF Cc1nc2[nH]c(-c3ccccc3C(=O)c3ccc(F)cc3)nc2cc1Br 587163702 RJCXRIJRBDUQEU-UHFFFAOYSA-N 410.246 5.066 0 1 HKAF Nc1sc(-c2ccccc2)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208505 AUEZIRZCLJFTOI-UHFFFAOYSA-N 404.494 6.424 0 1 HKAF Cc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1Cl 587239132 IFVPNGDTHKLPDL-YOKWENHESA-N 419.953 5.080 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCOc3c(Br)cccc31)CC2=O 587459863 QHJZJCYRCIEFAI-OAQYLSRUSA-N 417.299 5.141 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(Cl)c2)o1 587542856 AKCURCUKPDQRLQ-XUZZJYLKSA-N 418.832 6.009 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1C1CCCCC1 587601475 GKMRKVATZIDTRH-JYFHCDHNSA-N 400.474 6.143 0 1 HKAF CC(C)(C)c1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)(F)F)cc1 587648487 AMWHHFWGHGYSIC-UHFFFAOYSA-N 423.456 5.281 0 1 HKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1Cc1ccc(OC(F)(F)F)cc1 587657862 CAHLHBKAZFBBKV-UHFFFAOYSA-N 414.358 5.150 0 1 HKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)Nc1cccc(Cl)c1 587660801 GJFAQBBGFAOWOD-UHFFFAOYSA-N 409.873 5.101 0 1 HKAF CCOc1ccc(-c2nn(Cc3cccc(F)c3)c(=O)c3ccccc23)cc1OCC 587672741 ZECPLFCVVIMBBS-UHFFFAOYSA-N 418.468 5.048 0 1 HKAF C/C(=C\c1cc(Cl)ccc1O)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587702964 PVUFTKWXRQALAX-SNQCDCKPSA-N 410.714 5.626 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C(=C\N(C)C)c2ccc(Cl)cc2)N1 587705245 YCBWQCVHHKUTFI-FNACSESGSA-N 423.757 5.420 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)ccc2Cl)N1 587712304 OIQPWUDRHQFOFI-BCTVWOGZSA-N 422.647 5.884 0 1 HKAF CC(C)[C@]1(CC(=O)Nc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587741164 GDVKKISGUTXIRH-QKKBWIMNSA-N 419.338 5.003 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccccn3)o2)N1 587848117 ZQDNQHCVHPTDFW-NSPYISDASA-N 419.319 5.351 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)CN1CCC(C)CC1 587860199 QRINZVKULZCAFL-OAHLLOKOSA-N 424.372 5.264 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2c(Cl)ccc(Cl)c2s1 587872816 RFKLUJDXWVXSAM-UHFFFAOYSA-N 408.285 5.994 0 1 HKAF CC1(C)Cc2cccc([C@H]3c4ccccc4C[C@@H]4CN(c5ccccc5)CCN43)c2O1 962634296 IEFNGOWRHUABMO-ZEQKJWHPSA-N 410.561 5.236 0 1 HKAF COc1ccc2c(c1)[C@](c1ccccc1Cl)(c1ccccc1OC)N[C@H]1CC[C@@H]21 962992514 GXTGUUKGNXNOHO-WYRQLCSISA-N 405.925 5.498 0 1 HKAF Cc1ccc2c(c1)[C@]1(C(=O)[C@H](c3ccccc3)O2)c2ccc(F)cc2C[C@H]2CCCN21 963094722 CWULNNIMENYMCM-UDZXTKBFSA-N 413.492 5.101 0 1 HKAF CCCCCc1ccc(C(=O)Nc2ccc3c(c2)[nH]c(=N)n3C2CCCCC2)cc1 1857538179 JHIKTXMNWIIXLE-UHFFFAOYSA-N 404.558 5.939 0 1 HKAF Nc1cccc(Cl)c1Oc1ccc(CNc2cccc(Br)c2)cc1 1857550492 WITBWJZMDDASJV-UHFFFAOYSA-N 403.707 6.089 0 1 HKAF CC[C@H]1C(=O)N(C)c2ccc(C(=O)Nc3ccc(C)cc3C)cc2N1C1CCCC1 1857646255 BTHQAXNBJQDPLA-NRFANRHFSA-N 405.542 5.060 0 1 HKAF O=C1CN(Cc2cccs2)[C@@H](c2ccccc2)c2cc(Br)ccc2N1 1911580288 CIDXSYXGWATSRO-FQEVSTJZSA-N 413.340 5.054 0 1 HKAF C[C@H](C=CC(=O)O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356655912 ARCYVWZDZTZORR-PBJKUATMSA-N 412.614 6.438 0 1 HKAF COc1ccc([C@@](C)(NC(C)=O)c2nc(-c3ccc(F)c(Cl)c3)cs2)cc1 61904544 WZLJLRWDBQPNQC-HXUWFJFHSA-N 404.894 5.011 0 3 HKAF CCOC(=O)c1ccc(-c2ccc3ncnc(N(C)Cc4sccc4C)c3c2)o1 61931501 BPOJSXUQUUUPFU-UHFFFAOYSA-N 407.495 5.073 0 3 HKAF CC(C)(C)c1noc(-c2cc(Br)ccc2F)c1C(=O)NC1CCCCC1 2483316 ILCQMRLPCZFGRT-UHFFFAOYSA-N 423.326 5.603 0 1 HKAF O=C(c1ccco1)N1CCC2(CC1)CCN(c1cccc(-c3ccccc3)c1)CC2 3956112 LKQAGUNHNAMQAK-UHFFFAOYSA-N 400.522 5.469 0 1 HKAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NCc1ccccc1OC 4295278 HJKBFKVXMJJIMN-BJKOFHAPSA-N 424.541 5.034 0 1 HKAF COc1cc2c(c(OC)c1-c1c(C)cc3cccc(OC)c3c1O)C(C)=N[C@@H](C)C2 13359350 CESMSNGGFQBVOV-AWEZNQCLSA-N 405.494 5.300 0 1 HKAF biogenic,in-vitro COc1cc(O)c(C(=O)[C@@H]2CC=C(CCC=C(C)C)C[C@@H]2c2ccccc2)c(O)c1 13410527 VJYZXZFPGQYBKT-FGZHOGPDSA-N 406.522 6.156 0 1 HKAF biogenic CCc1nc2c(n1[C@@H](C)C1CCC1)C(=O)N(C)CN2c1ccc(Cl)cc1Cl 13582814 VLFFGRQPWHSKJV-LBPRGKRZSA-N 407.345 5.295 0 1 HKAF COc1ccccc1-c1ccc2c(c1)C([C@@H](C)OCCc1ccccc1)=CC(C)(C)N2 14968830 PPWNORQDTLXCGH-HXUWFJFHSA-N 413.561 6.598 0 1 HKAF COc1ccc([C@@H]2[C@H](c3ccc4ccccc4c3)CC(=O)N2c2ccc(OC)cc2)cc1 26742869 QFFHWRGGWYGYRC-XTEPFMGCSA-N 423.512 6.119 0 1 HKAF O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1[S@@](=O)C2 26840956 NGJZQVMKSBCUMZ-GDLZYMKVSA-N 403.434 5.027 0 1 HKAF CCCN(CCC)[C@H]1CCc2cc(CN(C(=O)OC)c3ccc(OC)cc3)ccc2C1 27407129 PNTBTATXSREBKG-DEOSSOPVSA-N 424.585 5.448 0 1 HKAF Fc1ccc(N(CCCN2CCN(c3ccccc3)CC2)c2ccc(F)cc2)cc1 27711582 JVIZQCCZIFHUJY-UHFFFAOYSA-N 407.508 5.315 0 1 HKAF CC[C@@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4cccc(C)c4)oc3C)ccc21 28565450 ANZBIERYZKGLBF-FYYLOGMGSA-N 419.521 5.721 0 1 HKAF CC(C)CNc1nc(CCc2ccccc2)cc(NCc2cccc3ccccc23)n1 40429623 XHHCYWADWMPEGR-UHFFFAOYSA-N 410.565 6.095 0 1 HKAF Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccco2)sc1C 82165526 FUNYGCWESFUBLP-LGRHPFTQSA-N 408.571 5.960 0 1 HKAF CCCN(c1ccc(/C=C/C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C 95581595 WHINIFOWJVQEAO-JLHYYAGUSA-N 405.582 6.990 0 1 HKAF O[C@H](CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)C[C@H](O)c1ccccc1 95784754 GFOVXYXDEXXDMF-VXKWHMMOSA-N 417.530 5.585 0 1 HKAF Cc1sc(CN(Cc2ccc(Cl)cc2)Cc2cccnc2)cc1Br 96270201 IWEQDFSDDZVNJO-UHFFFAOYSA-N 421.791 6.070 0 1 HKAF O=C(NC12CC3CC(CC(C3)C1)C2)N[C@H]1CC[C@@H](OCc2ccccc2Cl)CC1 101140206 CCVTVCRJSWYIRR-GKXISKAGSA-N 416.993 5.436 0 1 HKAF O=C(Oc1ccc2ccccc2c1)c1cc(-c2cc3ccccc3o2)nc2ccccc12 103191911 RWITXSXWYTWTEE-UHFFFAOYSA-N 415.448 7.020 0 1 HKAF CCO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3)nn2[C@H]1c1ccc(C)cc1 103531215 LUEYEIUCZKNXPC-LCPUNJGISA-N 420.538 5.380 0 1 HKAF O=C(Nc1nc2ccc(F)cc2s1)c1cn(-c2ccccc2)nc1-c1ccccc1 139902291 BCGLFSYECNRIGQ-UHFFFAOYSA-N 414.465 5.540 0 1 HKAF C[C@H]1CCc2c(c3c(O)cc([C@H](C)CCCCc4ccc(F)cc4)cc3oc2=O)C1 169344029 LZZHUHCWGBVPKU-DLBZAZTESA-N 408.513 6.279 0 1 HKAF COC(=O)C1=C(C)N=C2C[C@@H](C(C)C)CC(=O)[C@H]2[C@@H]1c1ccc(-c2ccccc2)cc1 169728317 RTIUJDYMWVKLOA-QGDZQMKYSA-N 415.533 5.590 0 1 HKAF O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(CNCC2CCCCC2)cc1 205329103 VFCVOIQTBWJNJT-UHFFFAOYSA-N 423.988 5.464 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]1CC[C@H]1[C@@]2(C)CC=C2C[C@@H](O)CC[C@@]21C)C(C)C 255264591 SJBCPIPTNBLBFY-QTJHPBMBSA-N 414.718 8.025 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(OC4CCCCC4)cc3)nc3ccc(O)c1c23 586993233 VMAQUASMHFIONU-UHFFFAOYSA-N 421.496 6.530 0 1 HKAF CC(C)n1c(-c2nc3cc(F)ccc3[nH]2)cc(Br)c1Br 587005339 UHSMZWPOZGEICE-UHFFFAOYSA-N 401.077 5.276 0 1 HKAF COc1cc(-c2nc3ccc(Br)nc3[nH]2)cc(Cl)c1OCC(C)C 587044403 AMXGMSNKCSILNM-UHFFFAOYSA-N 410.699 5.084 0 1 HKAF Oc1nc2cc3nc(-c4cc(-c5cccc6ccccc56)ccc4Cl)[nH]c3cc2[nH]1 587049686 DMBYKKLNTUXUBS-UHFFFAOYSA-N 410.864 6.285 0 1 HKAF O=C(O)c1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587070062 QKUMZTKOZQMKPU-OBGWFSINSA-N 402.881 6.088 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(F)cnc(Cl)c2[nH]1 587072837 YCFYNHPEGFXSOH-PPULMUOOSA-N 410.707 6.423 0 1 HKAF CC/C=C/C[C@@H]1c2nc3cccc4c3c(c2C[C@H]1CC(=O)OC)-c1ccccc1C4=O 587105979 CTDKYTATLLYGLI-XLYSIVADSA-N 411.501 5.622 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccccc3OCc3ccccc3)nc3cccc1c23 587107672 SSTKAKISVQMDTG-UHFFFAOYSA-N 413.476 6.692 0 1 HKAF Cc1cccc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc12 587131099 XNRCZMNNFMLRCZ-UHFFFAOYSA-N 405.408 5.088 0 1 HKAF C[C@@]1(c2ccc(OCCCF)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329102 CSJHFWRQMDNJEK-ZCYQVOJMSA-N 424.443 5.544 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2c2ccccn2)[C@@H]1c1ccc(F)cc1 587335396 HFVNJBOCGVIVDW-ZWSUVBHBSA-N 403.453 5.382 0 1 HKAF CCCC[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356748 RDOAMQVISIHMHF-NOZRDPDXSA-N 406.453 5.682 0 1 HKAF COc1cccc(-c2c([C@H]3CCCc4ccccc43)cnc3c2oc2ccccc23)c1 587366214 JZVKQSIOVWSLPN-QFIPXVFZSA-N 405.497 7.125 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](CSCC(=O)c1ccccc1)(c1ccccc1)O2 587407672 BUNYHVGEEMWCEJ-VWLOTQADSA-N 417.530 5.054 0 1 HKAF O=C1C[C@H](c2ccccc2Oc2cc(F)cc(F)c2)Oc2c1ccc1c2CCCC1 587504961 OZWSSELGPFSHNT-XMMPIXPASA-N 406.428 6.342 0 1 HKAF O=C1C[C@@H](c2ccc3ccn(Cc4ccccc4)c3c2)Oc2c1ccc1c2CCCC1 587516462 TVMHKORNLHFPCT-MHZLTWQESA-N 407.513 6.275 0 1 HKAF C[C@H]1CCCCN1CCOc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587517519 OYCUWKFDHVNVMW-AFMDSPMNSA-N 419.565 5.525 0 1 HKAF O=C1C[C@H](c2ccccc2OC/C=C/c2ccccc2)Oc2c1ccc1c2CCCC1 587526205 SGEQOVCQIUNTHI-HWOQGQEBSA-N 410.513 6.364 0 1 HKAF CC(C)c1ccc(C[C@H](C)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601432 FYCKOTBHZBOLAW-VPWGAPMNSA-N 402.490 5.725 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(OC)ccc3OC)c(C(=O)C(F)(F)F)c2c1 587639843 DUZXZXPEZKNBFZ-GFCCVEGCSA-N 405.416 6.111 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3cccn3)cc2Cl)N1 587692280 GSYNFQNOJHMRSZ-WLRWDXFRSA-N 420.713 5.051 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccc(Cl)cc3)on2)N1 587702296 WGUBICUXOSGJDG-DGIBIBHMSA-N 421.697 5.520 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(Cl)ccc2C(F)(F)F)N1 587709865 CTSVYBZVOKZSEU-ZIDLFYJRSA-N 423.635 5.279 0 1 HKAF Cc1cc(F)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587720567 SLJHBYNGTOEJDI-YPMLDQLKSA-N 400.694 5.487 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C1CCCCC1 587754484 YYTHRZRUHAHIQQ-XMHCIUCPSA-N 419.382 6.135 0 1 HKAF COc1ccc(C)cc1C(=O)CCc1nc2cc(Cl)cc(Br)c2[nH]1 587788209 ZRMIROLLSPGZPJ-UHFFFAOYSA-N 407.695 5.111 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587816532 ZFILTOJJRYNGFK-WAIKUNEKSA-N 410.330 5.723 0 1 HKAF Cc1ccc(-c2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)o1 587828465 NKGKSZDQMCCHLC-XUSGNXJCSA-N 400.291 5.780 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc2c1OC(C)(C)C2 587836257 ZFKSUXMMUHRDDP-BLVKFPJESA-N 404.323 5.234 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2ccccc2[nH]1 587858783 BDNUKDBLZWUKMF-UHFFFAOYSA-N 400.265 5.425 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1/C(=C\c1ccccc1)c1ccccn1 587862824 XQFXHVHTCHEFBE-JCMHNJIXSA-N 421.422 6.019 0 1 HKAF CCN(c1ccc(-c2csc(-c3ccc(OC(C)C)cc3)n2)cc1)S(C)(=O)=O 587922580 FJAHBSHYCOVELC-UHFFFAOYSA-N 416.568 5.050 0 1 HKAF C[C@H](Cn1cccn1)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923007 LNTSAIVDAXSRHK-OAHLLOKOSA-N 402.498 6.098 0 1 HKAF CC1(C)COC(c2cccc(-n3c(OC(C)(C)C)cc(Cc4ccccc4)c3O)c2)=N1 587938171 QGVPORUQLXTODC-UHFFFAOYSA-N 418.537 5.506 0 1 HKAF CCN(Cc1cccc2[nH]c3ccccc3c12)C(=O)/C=C/c1ccc(O)c(OC)c1 653708453 HPBZEEKTQBBMJC-WYMLVPIESA-N 400.478 5.097 0 1 HKAF c1ccc(-c2ccc3c(c2)CCN[C@@H]3c2ccc(-c3nc4ccccc4s3)o2)cc1 962659416 GNEBMPCOLUQASW-VWLOTQADSA-N 408.526 6.458 0 1 HKAF COc1ccc([C@]2(c3cccc(OC)c3)NCCc3cccc(-c4ccccc4)c32)cc1 962666322 JPVJRADGZNMJHR-GDLZYMKVSA-N 421.540 5.808 0 1 HKAF COC(=O)c1ccccc1-c1ccc([C@H]2c3ccc(F)cc3C[C@H]3CCCN23)cc1 963092450 AXUKKIDWNAQUKI-BWKNWUBXSA-N 401.481 5.389 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]2(CCc1cccc(Br)c1)C1CC1 963105460 MGCPNQJOEHZSOJ-GMAHTHKFSA-N 414.362 5.847 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@]21CCCc2nc(-c3ccc(C)cc3)sc21 963256532 DEKAAPRKJWYYOV-QHCPKHFHSA-N 410.970 5.506 0 1 HKAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 1772577205 ORPDGDBKUOHGBE-KJPYKGQTSA-N 401.723 7.696 0 1 HKAF Cc1ccc2nc(-c3ccc(F)cc3)c(OCCCNc3ccc(F)c(C)c3)n2c1 1772644673 ZKYVIAXQPAUKDD-UHFFFAOYSA-N 407.464 5.777 0 1 HKAF Cc1nnc2n1-c1ccc(C3=CCN(C)CC3)cc1[C@H](Nc1ccc(Cl)cc1)CC2 1857550180 RQVPXHJNTDXPBJ-JOCHJYFZSA-N 419.960 5.047 0 1 HKAF C[C@H]1C[C@H]2CCC[C@@H](CC3=C4CCCN[C@H]4C[C@H](C)C3)N2[C@@H](C[C@H]2CCCCN2)C1 2356488607 UCTDBQQQSRQPNH-IZZOPRGPSA-N 413.694 5.409 0 1 HKAF COc1cc(O)cc2occ(-c3ccc(OCC=C(C)CCC=C(C)C)cc3)c(=O)c12 2356620099 FNBSHQJTAVKVOX-UHFFFAOYSA-N 420.505 6.246 0 1 HKAF C[C@H]([C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H]1NCOC[C@@]14C)N(C)C 2356623505 WQJGXMIIUOPURY-VVEZWRHSSA-N 412.662 5.388 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)[C@@H](CO)[C@H]1CC3 2356655884 ORZKEIGPXNMCHC-QOSLDGIASA-N 414.674 6.671 0 1 HKAF COc1ccc(C)cc1Nc1n[n+](-c2ccccc2)c(-c2ccc(N(C)C)cc2)s1 15936255 VGJICMYCFLINKX-UHFFFAOYSA-N 417.558 5.213 0 3 HKAF COc1ccc2sc(-c3ccccc3OC)c(-c3ccc4c(c3)OCCO4)c2c1 36388668 CKLMBDBJTXCCER-UHFFFAOYSA-N 404.487 6.024 0 3 HKAF CC(C)=CCc1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C(=O)[C@@H](C)[C@@H](C)O2 3940604 ZJXOEBUGDGYYOO-LSDHHAIUSA-N 404.462 5.274 0 1 HKAF biogenic Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)sc2n1 4716594 DTFGLOUEXMCGCY-RLFYNMQTSA-N 414.619 5.099 0 1 HKAF Cc1c(C)c(CCO)c(C)c([C@H](CCCCCC(=O)O)c2ccc(F)cc2)c1O 13456386 JCPRQXULAPKVCA-OAQYLSRUSA-N 402.506 5.158 0 1 HKAF CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n[nH]c12 13553385 TWKOBBAOGYMCIW-UHFFFAOYSA-N 405.373 6.647 0 1 HKAF CC(C)c1nc2ccccc2c(-c2ccc(F)cc2)c1CC[C@@H]1C[C@@H](O)CC(=O)O1 13861031 NRXFEQREXMHQEZ-RTBURBONSA-N 407.485 5.163 0 1 HKAF COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)ccc1O/C=C\C(C)C 14658124 NXUQPWMHPDPMCA-CGHZFKHCSA-N 424.493 5.048 0 1 HKAF endogenous,in-man COC(=O)CCCCCCCCCCCCCCCCCCCCCC(=O)OC 14770735 INCGPTFQVWWFPC-UHFFFAOYSA-N 412.655 7.525 0 1 HKAF biogenic COc1ccc(-c2cc(Sc3ccccc3)nnc2-c2ccc(OC)cc2)cc1 26403351 GQWGBGLCLIWBNP-UHFFFAOYSA-N 400.503 5.979 0 1 HKAF CCCN(CCC)[C@@H]1CCc2c(ccc([C@H](O)Cc3ccc(Cl)cc3)c2OC)C1 27330560 HWISWHUWIQAPMO-ZJSXRUAMSA-N 416.005 5.604 0 1 HKAF COc1cccc([C@H]2N=NC(C3=C(O)c4ccccc4C3=O)=C[C@H]2c2ccccc2)c1 34133093 XRUPTUVYTZURRN-XUZZJYLKSA-N 408.457 6.035 0 1 HKAF biogenic O=C(Cc1ccc(Cl)cc1)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 39233055 LMUULRHHZLFCPO-GOSISDBHSA-N 409.700 5.371 0 1 HKAF O=C(Sc1ccccc1)S[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 39233098 XPBYCGLPFKFRAV-KRWDZBQOSA-N 409.363 6.577 0 1 HKAF CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(F)cc3)C[C@]21C 40504658 JCMAWWASNQCEHD-DYEJEPNJSA-N 404.525 5.480 0 1 HKAF CCC[C@]1(c2ccc(OC)cc2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F 58576537 FLRFYARWOIFRDJ-IBGZPJMESA-N 412.839 5.802 0 1 HKAF CNC1(c2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)CCOCC1 59128610 WOZSIILXBCCBNM-UHFFFAOYSA-N 402.604 5.336 0 1 HKAF CO[C@H]1CCCCCCCCC[C@@H](C)OC(=O)[C@@H](Sc2ccccc2)CC1=O 72175318 SDISEYVTWQNHCA-COPCDDAFSA-N 406.588 5.578 0 1 HKAF O=C1[C@H](c2ccccc2Cl)C[C@H](c2ccccc2Cl)C(=O)N1Cc1ccccc1 73197421 FLHRKKAPUNVUEY-BGYRXZFFSA-N 424.327 5.820 0 1 HKAF Cc1cccc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 82146440 UZBMCLMUUNXXMX-WOZUAGRISA-N 420.601 5.052 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccc(C)o2)nc2c(NCCc3ccccc3F)ncnc21 82180838 YZABXRDYIVSNRJ-OAHLLOKOSA-N 407.493 5.235 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccsc2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181237 MVIXJXDNLJIGSF-CQSZACIVSA-N 411.962 5.866 0 1 HKAF CCCCCn1c(-c2cccnc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82184961 VJKJTALSNDGYBT-UHFFFAOYSA-N 406.921 5.344 0 1 HKAF CCC(CC)Nc1cccc2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12 84759350 SQMODRQGSOREHD-UHFFFAOYSA-N 424.541 6.100 0 1 HKAF O=c1cc(COc2cc(Cl)cc(Cl)c2)[nH]n1-c1nc(-c2ccccc2)cs1 95555055 RKFNRMBTRSQAJM-UHFFFAOYSA-N 418.305 5.175 0 1 HKAF Cc1ccc([C@H](O)/C=C/c2coc3cccc(OCC4CCCCC4)c3c2=O)cc1 95598094 TUYWTLYYWZMLQR-JXVRESAISA-N 404.506 5.807 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1csc(-c2ccccc2)n1 98176750 FKCCJYOXOMCDTQ-GOSISDBHSA-N 408.523 5.081 0 1 HKAF C[C@@H]1CN(CCCc2ccccc2)[C@H]2C[C@H](NCC3CC3)C[C@]1(c1cccc(O)c1)C2 103292764 IIUGSDSXFCBDCZ-NABNVEFZSA-N 418.625 5.135 0 1 HKAF CSc1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)cc1 103887736 SCHFMHXUXFPLTO-GYCJOSAFSA-N 418.587 7.099 0 1 HKAF Cc1nc2c(Cl)cccc2c(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c1C 118095732 NTVKPIDBIQRWBO-UHFFFAOYSA-N 421.972 5.771 0 1 HKAF CC(C)=CC[C@@]12CCN(C)[C@@H]1Nc1c(Br)cc3cc(C(C)(C)O)oc3c12 140605244 QVSZPENHGLTTAS-FPOVZHCZSA-N 419.363 5.104 0 1 HKAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2c2ccccc2)n1)c1ccc2ccccc2c1 142051623 OOULKJKKWRKOSP-HTAPYJJXSA-N 410.477 5.501 0 1 HKAF CC(=O)N1CCC[C@@H](c2cccnc2Oc2ccc(Nc3ccc(C)cn3)cc2)C1 143083735 KTPXENPNDMLGRM-LJQANCHMSA-N 402.498 5.047 0 1 HKAF CC(C)C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1 166981176 OOTMZSJAJHCSOL-SDNWHVSQSA-N 409.489 5.559 0 1 HKAF CCOP(=O)(OCC)[C@H](N(O[C@@H](C)c1ccncc1)C(C)(C)C)C(C)(C)C 169415648 HPBKDHJVTHGBGP-WMZOPIPTSA-N 400.500 5.813 0 1 HKAF Cc1cc(-c2cccc(F)c2)cc(CNc2c(F)ccc(OCC(=O)O)c2C)c1C 218917294 MMANJBFLFZMHPK-UHFFFAOYSA-N 411.448 5.633 0 1 HKAF Oc1ccc(N(Cc2ccccc2)c2ccc(OCCN3CCCCC3)cc2)cc1 299856941 LEYMGIJEFZGRCT-UHFFFAOYSA-N 402.538 5.595 0 1 HKAF CCOc1cc(/C=C\c2nc3cc(Cl)cc(C)c3[nH]2)cc(Br)c1OC 586977769 HZNDJOJOOOUTPX-WAYWQWQTSA-N 421.722 5.865 0 1 HKAF CCOc1cc2oc(=O)c(-c3nc4cc(C)c(C)cc4[nH]3)cc2cc1Br 586997353 BOQSFGLVTHTNOK-UHFFFAOYSA-N 413.271 5.114 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1[nH]c3ccc(F)cc3c1CC4)-c1ccccc1C2=O 586997562 ZHFMBIOLJKSFCM-UHFFFAOYSA-N 404.444 6.141 0 1 HKAF Brc1c(OCc2nc3ccc4c(c3[nH]2)CCCC4)ccc2ccccc12 586999716 ANWGQJMMGBYFGF-UHFFFAOYSA-N 407.311 5.936 0 1 HKAF CC(C)(C)c1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1 587002077 SMJMOHZRKCBXBO-UHFFFAOYSA-N 409.327 6.355 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)cc(F)c3[nH]2)C[C@H]2CCCC[C@@H]21 587028727 ZPVAVQVZOUQKKH-BVGQSLNGSA-N 417.937 5.492 0 1 HKAF Clc1cc(Cl)cc(-c2cncc(-c3nc4cc(Br)ncc4[nH]3)c2)c1 587067709 LUUOSWNIDMHMIC-UHFFFAOYSA-N 420.097 5.756 0 1 HKAF Clc1ccc(CN2CCC[C@H]2c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 587077076 PGQLOSUYNFWCBU-QHCPKHFHSA-N 419.981 6.705 0 1 HKAF FC(F)(F)c1cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2cc1Br 587087645 MUWXABQYRZKCHQ-UHFFFAOYSA-N 414.612 6.146 0 1 HKAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587113142 KJIJMABYBPUHDU-LBPRGKRZSA-N 407.745 5.496 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587133966 GLHNZHPRTGMPPH-VQHVLOKHSA-N 414.333 5.660 0 1 HKAF COc1cc(O)c(-c2nc3cccc4c3c(c2Cc2ccccc2)CC4)c(O)c1OC 587214528 RRZRVLRNOWKWQI-UHFFFAOYSA-N 413.473 5.020 0 1 HKAF CC(C)[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349776 VPONMCBHFDVOEJ-AHWVRZQESA-N 415.464 5.923 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(C(=O)O)coc2CC3)c1 587367295 VFWMPRBCKGWNSE-UHFFFAOYSA-N 411.413 5.713 0 1 HKAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cc(C)cc(C)c1 587401931 ZVOJAJAFZCLXDW-RUZDIDTESA-N 417.505 5.488 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCc1ccc(Br)s1)(C(C)C)O2 587411331 SPRQFYLHDLAFQD-LJQANCHMSA-N 408.361 5.394 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21 587470440 NGEFZXBHRYXTHI-KBMIEXCESA-N 423.509 5.175 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(-c3ccc(F)cc3)c1Cl)CC2=O 587472442 QNVNZCDTHWKGEQ-LJQANCHMSA-N 414.864 5.338 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc3nc(C)c(C)c(C)c3c1N)CC2=O 587494822 LZUUALZDKLULSE-HSZRJFAPSA-N 410.539 5.342 0 1 HKAF O=C1C[C@H](c2ccc3c(c2)CCN3Cc2ccccc2)Oc2c1ccc1c2CCCC1 587513896 LSWSSYFOOBFWPB-HHHXNRCGSA-N 409.529 5.835 0 1 HKAF C[C@@]1(c2ccc(S(=O)(=O)C3CCCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587534383 ZUIRGYWWSHBIAM-VWLOTQADSA-N 424.562 5.162 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cc(Cl)cc1Cl 587540731 BMSQJWGCAYWGAO-XLIONFOSSA-N 421.663 6.055 0 1 HKAF CCC(C)(C)c1ccc(OCc2nc3c(Cl)c(Br)cnc3[nH]2)cc1 587564990 SATCWPGCOIBKIC-UHFFFAOYSA-N 408.727 5.640 0 1 HKAF Cc1ccc([C@]2(c3ccccn3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587585480 DIMFCUAHBDNCQY-ZEQKJWHPSA-N 409.441 5.001 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccco2)n2ccccc12 587590071 XDGJOFXFAACMMD-RDPSFJRHSA-N 424.412 5.003 0 1 HKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc1Br 587613184 MQCFXDYDZCVMSC-CRAIPNDOSA-N 417.280 5.228 0 1 HKAF Fc1ccc2[nH]c(-c3cccs3)c(-c3nc4ccccc4n3C(F)F)c2c1Cl 587629449 QOSPXNSLKFJCBQ-UHFFFAOYSA-N 417.843 7.101 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc2c(F)cccc2s1 587655549 MHZVNDAYCFVXFO-UHFFFAOYSA-N 409.392 5.080 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)ccnc2Cl)N1 587713108 ROBLABCPILPGSC-JKYUHCHBSA-N 423.635 5.279 0 1 HKAF Cc1ccc(-n2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1C 587756689 DXTUDMGJWBCWES-QKKBWIMNSA-N 414.322 5.014 0 1 HKAF Cc1cc(Br)c2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2c1 587784664 UEKKWBRWICHYPB-XFXZXTDPSA-N 419.322 6.383 0 1 HKAF COc1ccc(-c2cccc(-c3nc4ccc(Br)c(O)c4[nH]3)c2)cc1O 587787195 RJZPLZFFUGTFLU-UHFFFAOYSA-N 411.255 5.079 0 1 HKAF CC(C)C/C=C(/c1ccccc1)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587821420 UYCJPKBSZCBUSV-NLIUNQKYSA-N 402.351 6.293 0 1 HKAF CCCC[C@]1([C@H]2CCOC(C)(C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587834490 RUPQLXBLZMVDOG-WDUKFBBWSA-N 412.387 5.713 0 1 HKAF Cc1ccc(-c2nc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cs2)cc1 587849537 AOLOITYEXVWADB-BUXKBTBVSA-N 417.347 5.644 0 1 HKAF COc1cc(O)cc(-c2cccc(-c3nc4cc(C)cc(Br)c4[nH]3)c2)c1 587930389 AWNJJROWKOVIER-UHFFFAOYSA-N 409.283 5.682 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1COc1ccc2c(c1)OC[C@H]2CC(=O)O 653740435 IGDIQNUQFVGOBM-CQSZACIVSA-N 415.898 5.302 0 1 HKAF Cc1ccc([C@@]2(c3ccc(Cl)c(Cl)c3)NCCc3cc(C)c(F)cc32)cn1 962298485 MHXYNLBUIQJSFH-JOCHJYFZSA-N 401.312 5.582 0 1 HKAF CCCCCc1cc2c(s1)CCC[C@]21c2c(ccc(OC)c2OC)C[C@H](C)N1C 962623668 KRNPSZGAXJTDDX-SSOJOUAXSA-N 413.627 5.954 0 1 HKAF O=C(O)[C@H]1CC[C@H](n2nc(Oc3c(Cl)cccc3Cl)c3ccccc32)CC1 1772624548 WKFBIVYONKPANM-JOCQHMNTSA-N 405.281 5.951 0 1 HKAF CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C(=O)[C@@H]4C(C)(C)[C@@]45C(=O)CC[C@H]5[C@]3(C)CC[C@]12C 1857561194 FTWZHBSJGHKDFC-CNXMBUFJSA-N 412.614 5.645 0 1 HKAF O=C1N[C@](c2ccccc2)(c2cscn2)CC(O)=C1Sc1ccccc1Cl 1857567482 DOYROOKHPGNUKL-HXUWFJFHSA-N 414.939 5.122 0 1 HKAF Cc1ccc(CO[C@@H](c2ccccc2)c2cnc(NC(=O)c3cccs3)s2)cc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c2ccccc2)C=C1C 2356663689 QXNHMPGONJBGRY-ISJGIBHGSA-N 410.554 5.892 0 1 HKAF C[C@]12CC[C@H](O[C@H]3CCCOC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](CCO)CC[C@@H]12 2356708444 QAXOXOIELCAIDC-OCRZLEJJSA-N 404.635 5.592 0 1 HKAF CC(=O)O[C@@H]1C=C2[C@@H]3CCC4=C(C(=O)OC4)[C@]3(C)CC[C@@H]2[C@]2(C)CCCC(C)(C)[C@H]12 2356804762 UZMAAQCIFZIXAS-ZUNGRAIDSA-N 412.570 5.370 0 1 HKAF CO[C@@H]1OC(=O)C2=CC[C@@H]3[C@](C)(CC[C@@H]4[C@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]34C)[C@@H]21 2356846244 OLOLYAQBLACKEO-PFHKRSBCSA-N 400.603 6.127 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCCN(C)C 5158550 OBYAAZRQFIVRJS-GUUMBNHASA-N 413.734 9.200 0 1 HKAF in-vivo COc1ccc(NC(=O)c2ccc(N)cc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 13557978 AYVXSVRMUNRIML-UHFFFAOYSA-N 417.509 5.080 0 1 HKAF CCSC(C[C@]12CCC(=O)C=C1CC[C@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12)SCC 14947097 QDXJDBBTILTBMC-RJADORODSA-N 418.668 6.210 0 1 HKAF Cc1cc(F)ccc1-c1cc(N(C(N)=O)c2c(Cl)cccc2Cl)ccc1CO 26169834 QUARCUJRRQAKKF-UHFFFAOYSA-N 419.283 5.817 0 1 HKAF Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3ccc(C)cc3)C2)cc1 28060999 WVHVEPCLGWYHLE-RUZDIDTESA-N 409.558 6.783 0 1 HKAF Clc1ccc(-c2cn(-c3ccccc3)cc2[C@H](c2ccccc2)n2ccnc2)cc1 28469089 OWCFAXVLGXIOQO-SANMLTNESA-N 409.920 6.632 0 1 HKAF O=C(O)/C=C/c1ccc(-c2cc3c(c(C45CC6CC(CC(C6)C4)C5)c2)OCCO3)cc1 28825696 IPIHMDMTPIWXRA-ZZXKWVIFSA-N 416.517 5.690 0 1 HKAF C[C@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@@H](O)c2ccccc2)c1 29412882 OSWZXLQHCUXZDR-OFEZKSIWSA-N 405.626 6.697 0 1 HKAF COc1cc(N[C@@H](C)CCCN)c2ncccc2c1Sc1ccccc1Cl 32287936 SBNUHOCBDQERSR-AWEZNQCLSA-N 401.963 5.587 0 1 HKAF CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 34951215 JZVFJDZBLUFKCA-LOSYQLLNSA-N 412.702 7.801 0 1 HKAF endogenous,in-man CC(C)[C@@H](N)CN1[C@H]2CC[C@@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 36289024 FJEFLHYWSUMBKN-UZLDWMDBSA-N 414.540 5.050 0 1 HKAF C[C@H](CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O 58631608 SQTAVUCHOVVOFD-QAIVWSEESA-N 414.630 6.662 0 1 HKAF in-vitro Nc1ccccc1CNc1ccsc1C(=O)Nc1ccc(OC(F)(F)F)cc1 73156759 ULDKPWBHFWVTKO-UHFFFAOYSA-N 407.417 5.093 0 1 HKAF Nc1nc(-c2ccc(O)cc2)cc(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)n1 73223079 LNROZTDSNAQJFY-UHFFFAOYSA-N 423.451 5.090 0 1 HKAF CC(C)CN(C)c1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2F)n1 82175317 WCZUNYYFQUHJAR-UHFFFAOYSA-N 418.541 6.165 0 1 HKAF CCCCCO/C(O)=C1/C(C)=NC2=C([C@H]1c1ccc(Cl)cc1)C(C)(C)CC(=O)C2 82230738 GGYUTANQJFYPQO-HWNIBJRTSA-N 415.961 6.518 0 1 HKAF Cc1c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2ncccc2c1=O 84670278 CPYQEWIUVUICCV-UHFFFAOYSA-N 410.395 5.388 0 1 HKAF CCC/C=C1\OC(=O)C2=C[C@H]3CC[C@]21[C@H]1C2=C4C(=C(CCC)CC[C@@H]4C[C@@H]31)OC2=O 85571248 VPEHIGFAAWYYPW-FZUNOCHKSA-N 406.522 5.517 0 1 HKAF biogenic,in-vitro CC1=CC[C@@]2(C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@H]1C 85918017 CJRZLPSJKBMUPM-AMKVNFJBSA-N 424.713 8.233 0 1 HKAF in-man Cc1ccccc1[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NN1C1=NC(=O)CS1 95572597 HSQNMFWBBWIOJR-QGZVFWFLSA-N 404.322 5.082 0 1 HKAF CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](CCO)CC[C@H]21 95601120 MTPKCUWFODAVJL-LBQFLQTFSA-N 410.598 5.913 0 1 HKAF Cc1ccc(-c2cc(Cl)c(-c3nc(-c4c(F)cccc4F)nn3C)s2)cc1 103174294 RAJHBDXDFSRPAF-UHFFFAOYSA-N 401.869 6.118 0 1 HKAF CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Cl)c2)C2=C(O)CCCC2=N1 103522891 XJTZTKMJAUEMER-JOCHJYFZSA-N 407.897 5.892 0 1 HKAF Cc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccc5c(c4)OCO5)C3=C(O)C2)cc1 104033542 BCYOGWFEJZSCQQ-UZTOHYMASA-N 424.500 6.353 0 1 HKAF CCCCC[C@@H](O)c1ccc([C@H]2CCC(=O)[C@@H]2C/C=C\CCCC(=O)OC)cc1 117762470 OHMVJJMZDOQADS-DTUHLBNMSA-N 400.559 5.653 0 1 HKAF C1=CO[C@H](c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CC1 143809346 JAGZSRKELVZAPE-FQEVSTJZSA-N 401.491 6.592 0 1 HKAF CN(Cc1ccc(F)cc1)C(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1 149545519 RLKYBCFFKMSDAT-UHFFFAOYSA-N 410.901 6.028 0 1 HKAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)O[C@H]3CC[C@H](C)CC3)CN(C)[C@@H]1C2 169291167 PRLKDWJIMFKGSZ-LKRBNKJASA-N 408.586 5.304 0 1 HKAF C=C/C(C)=C/[C@@]1(C)SC(=O)[C@@H](CCCCc2ccc(-c3ccccc3)cc2)C1=O 169693646 TWMGOUPVJCORNJ-OJKYNGMFSA-N 404.575 6.416 0 1 HKAF COc1ccccc1[C@H]1C2=C(Sc3ccc(Cl)cc31)c1ccccc1OC2(C)C 199987784 VPYHXFPNNDZRAB-JOCHJYFZSA-N 420.961 7.169 0 1 HKAF CSc1ccc2c(c1)Sc1cc3ccccc3nc1N2CC[C@H]1CCCCN1C 205842813 CBPOTCMOKVQMII-GOSISDBHSA-N 421.635 6.434 0 1 HKAF COc1cccc(F)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1ccc2oc3ccccc3c2c1 215902817 NZJJLLAOHLKKIZ-QRWLVFNGSA-N 403.453 5.843 0 1 HKAF Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2ncc(C)o2)c1 299887042 YFKVLKKIHUQDQW-LMQGHGSNSA-N 402.542 5.898 0 1 HKAF COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccc(O)nc1)C2 473133073 WQJULPTVLDKHSA-UHFFFAOYSA-N 418.518 5.072 0 1 HKAF COc1cc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c2cc1OC 586982106 PVKSHOPXOYHSPL-UHFFFAOYSA-N 419.319 5.435 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2cc(N)c(N)cc2[nH]1 586982151 SCEYMOUOYOZPHL-UHFFFAOYSA-N 403.324 5.116 0 1 HKAF N[C@@H](N=O)c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 586998769 QQOKUXUEBCIJMU-SONCPKABSA-N 423.270 5.480 0 1 HKAF CCc1ccc(-c2nc(-c3nc4cc(Cl)cc(Br)c4[nH]3)cs2)cc1 587015594 RNRITVIJQXMYBC-UHFFFAOYSA-N 418.747 6.332 0 1 HKAF Clc1ccc(CC/C(=C\c2nc3cnc4ccccc4c3[nH]2)c2ccccc2)cc1 587074572 ZLVUTKVFGWSMHH-CAPFRKAQSA-N 409.920 6.938 0 1 HKAF Cc1ccc2c3c(cc(-c4cn(CC(=O)O)c5ccccc45)nc13)-c1ccccc1C2=O 587096407 APYFPQDBBYATPU-UHFFFAOYSA-N 418.452 5.461 0 1 HKAF CCOC(=O)Cc1cccc(Cc2cnc3cccc4c3c2-c2ccccc2C4=O)c1 587106734 NUJDVNAIHXTSCG-UHFFFAOYSA-N 407.469 5.143 0 1 HKAF Cc1cnc2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2c1 587112278 RVXFLURBTKHMEQ-UHFFFAOYSA-N 421.344 6.638 0 1 HKAF Fc1ccc(-c2ccccc2-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1F 587145615 OFIRGEQAYZDXAG-UHFFFAOYSA-N 412.439 6.754 0 1 HKAF CC(C)Oc1cc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2cc1Br 587174451 PNKVJDZBOYFBSL-UHFFFAOYSA-N 422.685 6.053 0 1 HKAF CC(C)(C)[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340769 ZDFXSWKSMGKVGS-RDGATRHJSA-N 408.444 5.971 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CC=C(c3ccc(F)cc3)CC2)[C@@H]1c1ccc(F)cc1 587341035 ZULFDLFAFLRCHU-AOYPEHQESA-N 418.439 6.036 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](c2cccnc2)CC3)c1 587363237 PVOIUKZREFHULF-KRWDZBQOSA-N 406.485 6.324 0 1 HKAF C/C(=C\[C@]1(c2ccsc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)N(C)C 587379569 YWMCARDFZDVDSI-KGXWENGYSA-N 423.509 5.313 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4ccc(Cl)c(C(=O)O)c4)c1)[C@@H](C2)C3=O 587422048 OXOGVZQUIUSYHG-FDDCHVKYSA-N 420.848 5.203 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCCN1CCCC[C@H]1C)CC2=O 587473939 AQQKLVWGYPJHQI-CJAUYULYSA-N 423.553 5.304 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)cc(CN3CCCC[C@H]3C)c1C)CC2=O 587476593 QAEUPYRDXKMBDS-DWXRJYCRSA-N 421.581 6.042 0 1 HKAF CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 587477735 GGWGZVMAUIRQSP-WVCKHHOPSA-N 402.531 5.218 0 1 HKAF CN1c2ccccc2CCc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587518339 GFLVVUSISMXEIY-MHZLTWQESA-N 409.529 6.138 0 1 HKAF CC(C)c1nn2ccccc2c1[C@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587528462 ZNFRKDFXWMZYRU-AREMUKBSSA-N 402.538 5.853 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(OC2CCC2)c1 587555553 GWCIRRTZFFWJIL-ZJSXRUAMSA-N 406.409 5.166 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccc(F)cc2)n1 587568102 CSNHPYVPVRKXNL-KNQAVFIVSA-N 419.433 5.358 0 1 HKAF CCc1c(-c2ccc(Cl)cc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12 587622070 WIQGMYMFZIUNLB-UHFFFAOYSA-N 409.114 6.343 0 1 HKAF CC[C@H]1CCCCN1C(=O)c1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628578 VPICYSSMMNMLQW-LBPRGKRZSA-N 406.370 5.919 0 1 HKAF O=C(c1ccccc1)c1c(C(F)(F)Br)[nH]c2ccc(F)c(Cl)c12 587629163 XCKJQUIHCPCSIP-UHFFFAOYSA-N 402.597 5.636 0 1 HKAF O=C(c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)[nH]c2c(C(=O)O)cccc12 587638516 MTQGTLXNJKWSNH-UHFFFAOYSA-N 410.256 6.071 0 1 HKAF CCc1ccccc1-n1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587752075 BLWLMCVJFZYTJA-RCDICMHDSA-N 413.334 5.565 0 1 HKAF COC(=O)CCCCCCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587812406 YYQIVBQXPTXOJE-LIRRHRJNSA-N 414.359 5.457 0 1 HKAF Cc1ccc(C[C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587814718 VBWCKNGZLRKLCS-BXKMTCNYSA-N 424.357 5.917 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ccc(C(C)(C)C)cc32)N1 587816836 DVTPQSBDBVJBSR-LFVRLGFBSA-N 416.378 6.000 0 1 HKAF CSc1ccc2c(c1)CCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587848792 XXRXUHZBAMHSMI-FKIZINRSSA-N 406.364 5.424 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc([C@H]3CN4CCC[C@@H]4CO3)n2)cc1 587923062 LSTMLLNQCJHMOL-DYESRHJHSA-N 419.525 5.633 0 1 HKAF Cc1noc(C)c1-c1ccc(Cl)c(COc2ccc(CCC(=O)O)c(F)c2)c1 653842808 AJENGYPIQBYJOV-UHFFFAOYSA-N 403.837 5.347 0 1 HKAF Clc1ccc(Cl)c(-c2ccc([C@@H]3NCCc4cccc(-c5ccccc5)c43)o2)c1 962665790 QCCMZLAQTQOYMN-VWLOTQADSA-N 420.339 7.156 0 1 HKAF CN1C(=O)C[C@H]2CN[C@@](CCc3ccc(Cl)cc3)(C3CCCC3)c3cccc1c32 963038689 XVIFWKFDJCPKER-BVZFJXPGSA-N 408.973 5.412 0 1 HKAF O=C(O)CCC[C@@]1(c2ccccc2C(F)(F)F)c2c(F)cccc2C[C@@H]2CCCN21 963108270 LDKSBOMDVPLGSE-KSFYIVLOSA-N 421.434 5.364 0 1 HKAF CN1CCc2c(Br)cccc2[C@]1(C)c1cccc(Br)c1F 963290818 YRHQIBZEKXHRGA-QGZVFWFLSA-N 413.128 5.102 0 1 HKAF COc1ccc(C[C@H]2C(=O)C[C@@H]3CCN(CC4CCCCC4)[C@@H]4CCC[C@H]2[C@@H]34)cc1 1772649111 LEDLUXYLXJQMCA-ZOXYYQABSA-N 409.614 5.514 0 1 HKAF COc1ccccc1-c1ccc(C(=O)NCCc2c(C)[nH]c3ccccc23)cc1F 1857580757 FMHCZIXWYUPTRW-UHFFFAOYSA-N 402.469 5.264 0 1 HKAF COc1ccc(F)cc1Nc1cc(NC(=O)Nc2c(Cl)cccc2Cl)ncn1 1857589056 HBRGBJYSBRQPSJ-UHFFFAOYSA-N 422.247 5.319 0 1 HKAF CC(C)[C@@H](NC(=O)OCc1ccccc1)[P@](=O)(Oc1ccccc1)c1ccccc1 1911576244 FFVKAAHBWCXWEV-YUDQIZAISA-N 423.449 5.578 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)C[C@@H]1C[C@H]3O 2356342080 HWOOALPDOJHOPO-BMMBWOALSA-N 402.663 6.648 0 1 HKAF O=C(O)C=C[C@@H]1[C@H]2C=C[C@H]3[C@H]1C[C@@H]1[C@H](CCCCCc4ccc5c(c4)OCO5)[C@H]2[C@H]31 2356346082 JEVKBOABRNPNLG-VEXBLHILSA-N 406.522 5.089 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4[C@H](CC[C@H](O)C4(C)C)[C@@H]3CC[C@]12C 2356562750 CIUWDTKQGZYEEE-KJEVCNOVSA-N 412.702 7.945 0 1 HKAF C[C@H]1CCC([C@H](C)[C@@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)=NC1 2356662857 JMSRDKIFVZVAMX-SNGGQYABSA-N 413.646 5.404 0 1 HKAF CC(C)[C@H](C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1c(F)cccc1Cl 2484732 JPSKACDDWIUGBO-LBPRGKRZSA-N 404.844 5.715 0 1 HKAF C[S@@](=O)c1ccc(CSc2nc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1 12365489 IETZEUGQJUBHSE-NDEPHWFRSA-N 405.548 5.168 0 1 HKAF Fc1ccc(N2CCN(Cc3cn(-c4ccccc4)c(-c4ccccc4)n3)CC2)cc1 13491643 YUQFGZOLGFQMFU-UHFFFAOYSA-N 412.512 5.001 0 1 HKAF COc1cccc(CN2CCC(CCC(=O)c3ccc(N4CCCC4)cc3)CC2)c1 13738625 QIYSGMVMTHKIMP-UHFFFAOYSA-N 406.570 5.171 0 1 HKAF Fc1ccc2c(c1)[C@@H](OCc1ccc(Cl)cc1Cl)[C@@H](Cn1ccnc1)S2 13775805 ISAKNYLLDUELLC-RTBURBONSA-N 409.313 5.761 0 1 HKAF Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)C=C2 14767673 BIXWVSLNTIFDQN-PFPZSTESSA-N 414.674 8.612 0 1 HKAF biogenic O=C(Nc1cc(CO)cc(Nc2ccnc3cc(Cl)ccc23)c1)c1ccccc1 26673033 JHEYWLCKSYIYEE-UHFFFAOYSA-N 403.869 5.376 0 1 HKAF Cc1csc(-c2cc(-c3ccccc3F)c3n(c2=O)CCCc2ccncc2-3)n1 29400632 CBKOOGJFEQBENF-UHFFFAOYSA-N 403.482 5.095 0 1 HKAF Cc1ccsc1C(=CCCN(C)[C@H]1CCCc2onc(O)c21)c1sccc1C 38359408 CUESOMOCKVRNIW-KRWDZBQOSA-N 414.596 5.951 0 1 HKAF in-vitro Nc1cccc(CNCc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)c1 45195087 QWOBWNQUZSMEMK-UHFFFAOYSA-N 410.546 5.830 0 1 HKAF CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccc(F)cc2C(=O)O)cc1 59022421 SUYMJMGXLOTCKD-UHFFFAOYSA-N 422.500 5.435 0 1 HKAF CC[C@H](C)CN[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC)CC[C@]4(C)[C@H]3CC[C@@]21C 72134969 BFJBAMHNODMFFF-VICXTREFSA-N 401.679 6.605 0 1 HKAF C[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)OCCC1CCCCC1 82083826 DNROPNOAGBNTLO-AWEZNQCLSA-N 420.962 5.095 0 1 HKAF CC[C@@H](C)Cn1c(CCc2ccccc2)nc2c(NCc3cccc(F)c3)ncnc21 82184571 BHTGIACCWHLAIO-GOSISDBHSA-N 417.532 5.409 0 1 HKAF CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(Cl)cc2)cs1 82193208 AVRQLPGPJNXAJL-JXFKEZNVSA-N 420.022 5.765 0 1 HKAF CC1(C)CC[C@@]2(C)CC[C@@]3(C)C(=C2C1)CC(=O)[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]13C 86030094 MQILTVJSXIHHGW-SSDNOSSOSA-N 424.713 8.521 0 1 HKAF in-man Clc1ccc([C@@H](COCc2ccc3ccccc3c2)Cn2cncn2)c(Cl)c1 103289643 SXCYTHAYFJSRTD-LJQANCHMSA-N 412.320 5.739 0 1 HKAF CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2cccc(Cl)c2)C2=C(O)CCCC2=N1 104691758 YJNCFHWHFBRVLG-NRFANRHFSA-N 407.901 5.490 0 1 HKAF CCCCC[C@H](O)c1ccc([C@@H]2[C@@H](C/C=C\CCCC(=O)O)[C@H](C#N)C[C@H]2O)cc1 117061340 XMZNXASVJYOPFE-QHOSQYIQSA-N 413.558 5.106 0 1 HKAF O=C(Nc1ccc(C2=CCN(C(=O)C3CCCC3)CC2)cc1)N1Cc2ccccc2C1 166642986 GDBVUTDKKIIPLW-UHFFFAOYSA-N 415.537 5.040 0 1 HKAF Cc1ccc(-c2cc([C@@H](O)C[C@@H]3CCCCN3)c3cccc(C(F)(F)F)c3n2)cc1 169333401 BBRUOXSEHMIAPY-JTSKRJEESA-N 414.471 5.795 0 1 HKAF Cn1cnc(-c2cc(C#N)ccn2)c1-c1ccc(Cl)c(OCc2ccccc2)c1 225946205 MYEKGNIACAPRJV-UHFFFAOYSA-N 400.869 5.253 0 1 HKAF Cc1c(C)c2c(c(C)c1O)C=C[C@](C)(COCc1cc(-c3ccc(O)cc3)no1)O2 299837704 KLSJKPVWDUUSPO-XMMPIXPASA-N 407.466 5.059 0 1 HKAF O=C(Nc1cccc(-c2ccc(C(=O)c3cccc(O)c3)s2)c1)c1cccc(O)c1 473152869 WGXHEWUEBOMFSQ-UHFFFAOYSA-N 415.470 5.310 0 1 HKAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(Br)c(Br)cc3[nH]2)cc1 586892252 WEFBHVNPZBADGN-QLJPJBMISA-N 424.136 5.233 0 1 HKAF Fc1cccc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c12 587012907 UPTHGMNXKCCMHS-UHFFFAOYSA-N 419.912 6.737 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c(CNc3ccccc3Cl)nc2c1 587062468 SUZIOGZUSLMVPN-UHFFFAOYSA-N 404.617 5.610 0 1 HKAF Clc1cccc(COc2ccc(-c3nc4cnc(Br)cc4[nH]3)cc2)c1 587070341 GOAHCTZKRASPIE-UHFFFAOYSA-N 414.690 5.620 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cccc(C(N)=O)c2[nH]1 587072895 ZOFOJEMLBQNJGL-FIOCRVBZSA-N 400.309 5.335 0 1 HKAF CC(C)CCOc1cc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2cc1Br 587089363 BWALCMJRXKGBSO-ZDUSSCGKSA-N 417.628 5.674 0 1 HKAF CCS(=O)(=O)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1 587095140 QJHQCEMLBYSHBV-UHFFFAOYSA-N 422.350 5.061 0 1 HKAF FC(F)(F)c1ccccc1Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587107987 YMWCILZSSRVGFQ-UHFFFAOYSA-N 423.154 5.954 0 1 HKAF O=C(CSCc1nc2ccc3ncccc3c2[nH]1)Nc1ccc(C(F)(F)F)cc1 587114037 PIZHEWHWGGXUMT-UHFFFAOYSA-N 416.428 5.002 0 1 HKAF Fc1cc2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc2cc1Br 587134402 LALULDUIJKIBRY-UPHRSURJSA-N 407.111 5.330 0 1 HKAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(F)c(Br)c4[nH]3)c2)c1 587160130 INPMQSOOYHSTFU-UHFFFAOYSA-N 415.237 5.946 0 1 HKAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cn1 587247949 ZBOFZJMLWGKICV-UHFFFAOYSA-N 407.699 5.025 0 1 HKAF C[C@]1(c2cccc3c2CCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348816 AULYWXOHKHHWKN-AOYPEHQESA-N 402.465 5.684 0 1 HKAF CC1(C)[C@H](Oc2ccccc2)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348898 AZSWIHOQXPUAEF-PLXFJCCSSA-N 418.464 5.507 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2C2=CCCCC2)[C@H]1c1ccc(F)cc1 587355834 WSBSVVBCBZYKMH-CWDLOFLHSA-N 406.497 6.320 0 1 HKAF COC(=O)c1ccc2c(c1)-c1nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c1C2 587363359 RTIYXTLANWBWJP-UHFFFAOYSA-N 421.452 6.014 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)[nH]c3cccc(Br)c13)O2 587370530 FXWWCBPCRACVKL-AWEZNQCLSA-N 405.679 5.181 0 1 HKAF C[C@@]1(c2cc3sccc3s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587372299 ILMKVJVYQFNCGV-UNMCSNQZSA-N 410.491 6.082 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(COc4ccc(F)cc4Cl)o1)[C@@H](C2)C3=O 587426219 AXILUIIVOJVHJC-OYHNWAKOSA-N 414.816 5.148 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c(Br)ccc(F)c31)CC2=O 587471148 JDKTYWAYQCYYIA-FQEVSTJZSA-N 405.263 5.053 0 1 HKAF O=C1C[C@](Cc2ccccn2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587499468 JMBDXPWPNJYSTE-RUZDIDTESA-N 403.909 5.717 0 1 HKAF Nc1ccc(Cl)cc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502460 RIMWHNGNJHNRSN-RUZDIDTESA-N 403.909 5.710 0 1 HKAF O=C1C[C@]2(CCc3c(F)ccc(Br)c32)Oc2c1ccc1c2CCCC1 587504180 GJLJXXKEKRZZNW-NRFANRHFSA-N 401.275 5.274 0 1 HKAF C[C@]1(c2cccc(I)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587504678 KOIQNRKDAASRHV-HXUWFJFHSA-N 418.274 5.051 0 1 HKAF Cc1ccc([C@@]2(Cc3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587505220 ZCDPMEYFYUYJCE-HHHXNRCGSA-N 416.948 6.631 0 1 HKAF Cc1c(Br)ccc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c12 587505607 VBYUPTHNXFAHAT-HXUWFJFHSA-N 410.311 5.824 0 1 HKAF Cc1cc(CN2CCC[C@@H](C)C2)c(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587513186 IQKVHKLDNYNCAH-CLYVBNDRSA-N 417.593 6.121 0 1 HKAF O=C1C[C@@]2(CCCCN(C(=O)OCc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587514840 PQWSJSZXFQDSPJ-AREMUKBSSA-N 419.521 5.092 0 1 HKAF COC(=O)c1ccc(-c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587528026 YJIFYRRBDMZDBX-VWLOTQADSA-N 412.485 5.726 0 1 HKAF CC(=O)Oc1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625299 FTHPLJYMQRCDOF-UHFFFAOYSA-N 421.724 6.451 0 1 HKAF Fc1ccc2[nH]c(-c3ccccc3)c(Nc3cccc(C(F)(F)F)c3)c2c1Cl 587629850 LCPRRMSQVXVVRN-UHFFFAOYSA-N 404.794 7.390 0 1 HKAF CCOC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccc(C(F)(F)F)cc1 587629918 NRTXMRMKSRNPQI-UHFFFAOYSA-N 413.754 5.387 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(Br)ccc3O)c(-c3ccccc3)c2c1 587638674 IDSLLOBIHSFBCC-OAHLLOKOSA-N 420.350 7.484 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c(-c3ccccc3Br)c2c1 587639237 PUNHYHLJUZMEOB-KRWDZBQOSA-N 418.378 8.086 0 1 HKAF CCOC(OCC)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587794702 PINHBNPCAWXSEE-RBZFPXEDSA-N 422.338 5.283 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)Cc2ccccc2-3)N1 587817789 BBPBZODJRVALOE-JCQPUDPBSA-N 408.314 5.783 0 1 HKAF Cc1cc(C)c2c(c1)CC(C)(C)C[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587823977 SSICHMYHNZYPEO-CMJOXMDJSA-N 416.378 5.955 0 1 HKAF Cc1ccc(-c2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587828944 PCFYCHHLEFELAB-QKVFXAPYSA-N 400.291 5.780 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccs3)cc2)N1 587852852 NOTQQIKRUMBUJH-ODXCJYRJSA-N 402.332 5.940 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc3ccc(Cl)cc23)N1 587853687 AWAPQHPNUTXSNI-NIVTXAMTSA-N 410.739 6.080 0 1 HKAF COc1ccc(C[C@@H](C)c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1OC 587925545 DVFQHQJXSUXNGU-QGZVFWFLSA-N 402.494 5.505 0 1 HKAF COc1ccc(-c2ccc(-c3nc4c(Br)cc(C)cc4[nH]3)cc2)cc1OC 587925674 CBILPCDEJHXART-UHFFFAOYSA-N 423.310 5.985 0 1 HKAF COc1ccc2cc([C@@H](C)c3nc4ccc(Sc5ccccc5)cc4[nH]3)ccc2c1 587934658 MBFLRDMUIUQWNO-QGZVFWFLSA-N 410.542 7.028 0 1 HKAF COC(=O)c1cc2nc(C(C)(C)c3ccccc3C)[nH]c2c(F)c1Nc1ccccc1 587954626 CKLXUWBOSFMDQT-UHFFFAOYSA-N 417.484 5.867 0 1 HKAF CCCCCc1ccc([C@@]2(CCCCC(=O)O)NCCc3cc(C)c(F)cc32)cc1 962147379 PCYAJAKPGUBVBB-AREMUKBSSA-N 411.561 5.901 0 1 HKAF CC[C@]12CC[C@@H]3[C@H]4CC[C@@]5(C=C4CC[C@H]3[C@@H]1CCC2=O)NCCc1cc(C)c(F)cc15 962303122 USGZGIIMDWIKES-XJBHKMJUSA-N 421.600 6.007 0 1 HKAF Fc1cc(Br)c2c(c1)[C@@]1(CC2)NCCc2cccc(-c3ccccc3)c21 962675602 XOIFXONSDSMIIH-HSZRJFAPSA-N 408.314 5.591 0 1 HKAF Clc1cc([C@H]2c3ccsc3CCN2Cc2cccnc2)cc2c1OCCCO2 963005095 GRTQGDCLQAZBDV-NRFANRHFSA-N 412.942 5.106 0 1 HKAF Cc1ccc(Cn2c([C@@H]3c4ccc(F)cc4C[C@H]4CCCN34)nc3ccccc32)cc1 963115347 VYTWNKAZXFEAFQ-GJZUVCINSA-N 411.524 5.642 0 1 HKAF COc1cc(/C=C/c2ccc(NC(=O)/C=C/c3ccccc3F)cc2)cc(OC)c1 1772586820 MPBQPTRWUDQDML-DQBULIGTSA-N 403.453 5.665 0 1 HKAF CC(C)(O)[C@H]1C[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=C[C@H]1O 1772609824 MNKIEVSGOFWDIK-FICGGCHZSA-N 419.609 5.502 0 1 HKAF CC[C@H](OC)c1cc(Cl)c2c(c1Cl)C(=O)N(Cc1c(C)cc(C)nc1O)CC2 1772625538 WAXGOKRGWNLIQS-KRWDZBQOSA-N 423.340 5.007 0 1 HKAF Cc1cc(C)c2cc(C(=O)NC3CC4(CCCCC4)NC4(CCCCC4)C3)[nH]c2c1 1857765143 ITOWGCUURLOAMI-UHFFFAOYSA-N 407.602 5.672 0 1 HKAF CC[C@@H](C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356623026 QZEVHCZWWYKVHL-VPUBHVLGSA-N 412.702 7.801 0 1 HKAF CC[C@H]1[C@H](C[C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C1(C)C 2356668941 HRNVWBIKQMSFHI-XQUBLRMDSA-N 412.702 7.635 0 1 HKAF C[C@@H]1CC[C@]2(C)CC[C@]34C[C@]3(CC[C@@H]3[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]34C)[C@H]2[C@@H]1C 2356864525 VVSOUTKITCBWGW-LMZSROSDSA-N 424.713 8.067 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)Cn1c(-c2ccc(F)cc2)[n+](C)c2ccccc21 13305056 XICGSKNNKYSGSQ-ZHRMCQFGSA-N 423.552 5.276 0 3 HKAF N[C@H](CCc1ccccc1)c1csc(NC(=O)Nc2cccc(C(F)(F)F)c2)n1 61896690 FRRRSUUYGBYBFC-MRXNPFEDSA-N 420.460 5.439 0 3 HKAF CCOC(=O)Cc1ccc(Nc2nc(NCc3ccccc3)nc3ccsc23)cc1 61905755 QTZMIUCVEHWFHL-UHFFFAOYSA-N 418.522 5.153 0 3 HKAF CCCCc1c(-c2cccc(Br)c2)ncn1CCc1ccccc1OC 95565794 GVNLRYSJAXATAH-UHFFFAOYSA-N 413.359 5.907 0 3 HKAF CC[C@H](CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 12494432 KZJWDPNRJALLNS-ZETWWWAOSA-N 414.718 8.025 0 1 HKAF CC(=O)CCCC(C)(C)C(=O)CC/C(C)=C/CC/C(C)=C/CCC1=CC(=O)O[C@@H]1O 13304171 VJORARHIZPYLAR-XKILHPSWSA-N 418.574 5.376 0 1 HKAF CC(C)=CCc1c2c(c(O)c3c(=O)cc(-c4ccc(O)cc4)oc13)C=CC(C)(C)O2 14560184 WPIGCIDOOFISOE-UHFFFAOYSA-N 404.462 5.564 0 1 HKAF biogenic Cc1cc2c(cc1C(=O)c1ccc(OC(=S)N(C)C)cc1)C(C)(C)CCC2(C)C 27109022 UWGNZOCMOCFNJA-UHFFFAOYSA-N 409.595 5.800 0 1 HKAF CC[C@@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(Cc4ccccc4)oc3C)ccc21 28565426 PRGLXNBASSGNQE-FYYLOGMGSA-N 419.521 5.336 0 1 HKAF O=C(c1cccc(COc2c(Cl)cccc2Cl)n1)N1CCC[C@H]2CCCC[C@H]21 29049343 YEAFQKGRTAFYMI-FOIQADDNSA-N 419.352 5.762 0 1 HKAF CCC(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)=C(C)C 33820616 STLJXSQSUAPXFX-SGUBZQMTSA-N 412.702 8.089 0 1 HKAF N=C(N)c1ccc2nc(-c3ccc4nc(-c5ccc6ccccc6c5)[nH]c4c3)[nH]c2c1 40940319 XQUAKYBJIRUAHU-UHFFFAOYSA-N 402.461 5.210 0 1 HKAF CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 40950857 OPGHNAZZMDVAAW-UHFFFAOYSA-N 412.480 5.725 0 1 HKAF C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2nc1-c1cccc(F)c1 43198050 OBNLXBLOBJTAKW-LBPRGKRZSA-N 418.863 5.534 0 1 HKAF in-vitro Cc1cccc2nc(-c3cccc(-c4cccc(NC(=O)Nc5ccsc5)c4)c3)[nH]c12 45192782 ZTVNUEQPDCZUSO-UHFFFAOYSA-N 424.529 6.911 0 1 HKAF Fc1ccc([C@@H]2CN3CCC[C@H]3c3cc(OCCCN4CCCCC4)ccc32)cc1 58692356 YLNCHDUZZUUTSH-UIOOFZCWSA-N 408.561 5.363 0 1 HKAF CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 59200456 RKXWJPSYFPRIGF-MPDBNYLNSA-N 410.730 9.198 0 1 HKAF Cc1ccc2c(c1)CCN(c1nc(C3(c4ccc(F)cc4)CC3)nc(C)c1C)[C@@H]2C 64549351 SVYZBEJPDDOQCY-LJQANCHMSA-N 401.529 5.745 0 1 HKAF COc1ccccc1Nc1nnc([C@@H](O)c2ccc(Oc3ccccc3)cc2)s1 82083256 BQLKYINHWLSEKR-FQEVSTJZSA-N 405.479 5.164 0 1 HKAF CCCOCCCNc1ncc(-c2nc3ccccc3s2)c(-c2ccc(F)cc2)n1 82164035 AJPDWIPPJRJUBJ-UHFFFAOYSA-N 422.529 5.788 0 1 HKAF CC[C@H](C)Cn1c(-c2ccc(C)o2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82185075 CBCJGXWULQLRTH-AWEZNQCLSA-N 409.921 5.706 0 1 HKAF CC(C)(Oc1ccc2[nH]c(C(=O)c3ccc(Oc4ccccc4)cc3)cc2c1)C(=O)O 95558419 DOVRFQVZJSXNLR-UHFFFAOYSA-N 415.445 5.433 0 1 HKAF Cc1ccnc([C@H](Cc2ccccc2)NC2=NC(C)(C)Cc3cc(Cl)ccc32)n1 95605270 FDQFWCLDQBSPQX-NRFANRHFSA-N 404.945 5.093 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CC(=O)O)[C@@H]([C@@]3(C)CC=CCC3=O)CC[C@@]21C 100877482 CLLFOYLEKLQVNI-VHHOZFFRSA-N 416.646 6.908 0 1 HKAF Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1cnco1)C2 103229894 JOBGGLJPDFQHDJ-BJWYYQGGSA-N 413.348 6.481 0 1 HKAF COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC(C)C)c(OC)c1 104071182 GCTNZYCTXAAXOY-OAQYLSRUSA-N 413.514 5.100 0 1 HKAF O=C(O)c1cccc2c1oc1c(C(=O)O)ccc(Nc3ccccc3C(F)(F)F)c12 137367247 YSMGAXRHOHTBCW-UHFFFAOYSA-N 415.323 5.745 0 1 HKAF CC(=O)N(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(c5cncc(C)c5)[C@@]4(C)CC[C@@H]32)C1 141035828 BLBFEQACRQJDKJ-XGIAQDQTSA-N 420.641 6.273 0 1 HKAF CCCN1C(=O)[C@H](CC(=O)O)C[C@@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 148044479 GRVKUEQTAYRZAX-NBHGPNQESA-N 420.336 5.552 0 1 HKAF CC(C)OC(=O)Oc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc([C@H](C)N)cc1 165375920 APIJSFSFSPDPLN-ZDUSSCGKSA-N 422.506 5.353 0 1 HKAF CCO[P@](=O)(CC)Oc1ccc(Nc2cc(-c3ccccc3OC)ncn2)cc1 169342885 FJNJKOBOWGABEB-GDLZYMKVSA-N 413.414 5.524 0 1 HKAF CC[C@@H]1C(=O)[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)CCC(=O)O)[C@@]2(C)CC[C@@H](O)C[C@@H]12 206160973 LHSZAKRHUYJKIU-LJXQTXBXSA-N 418.618 5.322 0 1 HKAF CC[C@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N2CCC[C@@H]3CCCC[C@H]32)n1 299887365 YSTJSTWIVGRPAL-ABSDTBQOSA-N 411.550 5.042 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3C(=O)c3cc(C)ccc3C)nc2c1 586878119 BVMODZSAIBNHOP-UHFFFAOYSA-N 418.880 5.518 0 1 HKAF CCCCNS(=O)(=O)c1ccc2nc(-c3c(C)cccc3-c3ccccc3)[nH]c2c1 586878492 IUZCKYHTTVRIPD-UHFFFAOYSA-N 419.550 5.284 0 1 HKAF Cc1cc2nc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)[nH]c2c(C)n1 586983334 BADHFKCZPNPVQJ-UHFFFAOYSA-N 421.298 5.257 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]3c1ccc(C(F)(F)F)cc1 586985359 CIKZTVHVZGMIOC-MRXNPFEDSA-N 417.386 5.859 0 1 HKAF FC(F)(F)c1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1Cl 587005796 TUAXJAYGSQAQRY-UHFFFAOYSA-N 411.008 5.713 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cccc(Cl)c3[nH]1)N2 587033363 YVVVUDSWCOBSPJ-SRMXYGTFSA-N 404.948 5.343 0 1 HKAF Clc1cc2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2cc1Cl 587063419 NAFAARMHWRHJRP-UHFFFAOYSA-N 403.696 6.769 0 1 HKAF Cc1cnc(Cl)c2[nH]c([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc12 587068440 ADWJHYBNXSVZLU-DIPPSJHCSA-N 406.744 6.593 0 1 HKAF CSc1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 587071459 MRJFJONAEXYHGO-QGZVFWFLSA-N 417.962 5.747 0 1 HKAF FC(F)(F)c1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2cc1Cl 587084890 JJMFVIGCEMGVKI-UHFFFAOYSA-N 416.234 5.063 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(OC4CCCCC4)cc3)nc3cccc1c23 587107182 PQMTVKUCBKPRDV-UHFFFAOYSA-N 405.497 6.825 0 1 HKAF Cc1cc(Br)c2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2c1 587121825 MOKGPTIUTLXUHM-UHFFFAOYSA-N 411.181 5.076 0 1 HKAF COc1cccc([C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587347584 FIMNTMOXSYPNBO-ZCYQVOJMSA-N 404.437 5.204 0 1 HKAF C[C@]1(c2cccc3c2NCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350654 SBMSBMRIUNAIFU-RCZVLFRGSA-N 403.453 5.164 0 1 HKAF CCN(C[C@]1(Cc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1)c1ccccc1C 587387705 SGHMJOSUFACBBU-MHZLTWQESA-N 414.549 5.359 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(-c3cc(Cl)ccc3Cl)cs1)O2 587413511 OZNIKSNUQQZCKD-KRWDZBQOSA-N 405.306 5.714 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1OCc1cnc(Cl)s1)O2 587415195 YHNHBVQZQHZCLJ-NRFANRHFSA-N 414.914 5.147 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccccc4)n(-c4ccccc4)n1)[C@@H](C2)C3=O 587433174 VRFBIXQFFUHWOQ-RXFWQSSRSA-N 408.457 5.037 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccccc1Oc1cc(C(C)C)ccc1C)[C@@H](C2)C3=O 587443557 RBMSWHGMIWGGKB-IDISGSTGSA-N 414.501 6.408 0 1 HKAF COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(F)F 587506261 NDIVUKDWGJSXRY-QHCPKHFHSA-N 402.437 5.099 0 1 HKAF C[C@@H]1CCCCN1CCOc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587517520 OYCUWKFDHVNVMW-BCHFMIIMSA-N 419.565 5.525 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)c(F)c1 587549593 RDRIETBRQHFOFE-XLIONFOSSA-N 404.315 5.253 0 1 HKAF CC(C)[C@]1(CCc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550234 VXPPSDJMGWWMTR-DHLKQENFSA-N 422.908 6.035 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1c2[nH]c2ccc(F)cc12 587573532 ZFFWESLNXJDXPU-OFVILXPXSA-N 415.420 5.206 0 1 HKAF Cc1ccc(Oc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 587598493 BEBBWKVWPRJXKW-SQHAQQRYSA-N 424.452 6.196 0 1 HKAF Cc1cc2cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)oc2cc1C 587619411 XSBRRHLBDSOWLK-DHLKQENFSA-N 400.430 5.632 0 1 HKAF Cc1cc2ccc(Cl)cc2nc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657766 ZKDFTHHIWVAFBJ-UHFFFAOYSA-N 415.855 5.702 0 1 HKAF CC[C@H](C)n1nc(C)c(Cl)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587695985 KJPCTSAZGOIJJQ-FJHFEUQMSA-N 414.750 5.341 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3cccn3)c(Cl)c2)N1 587696000 OTVWHLZYNIODRS-WLRWDXFRSA-N 420.713 5.051 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cccnc2Cl)N1 587707210 UUHNGHFWSAQZPK-BBATYDOGSA-N 420.713 5.051 0 1 HKAF COc1ccccc1-n1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587753159 IDLOUFPEBJAXRL-ZSEKCTLFSA-N 415.306 5.011 0 1 HKAF C[C@H]1C[C@@H](C)CN([C@@H]2CCCC[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)C1 587763395 YILZUTNVBOPYKT-NVOMTMBPSA-N 423.414 5.238 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(-c3ccccc3)no2)N1 587798359 VEBDNABIXFDLJC-FKIZINRSSA-N 401.279 5.041 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)C[C@@]1(CC3)N[C@@H](C)Cc2ccc(F)c(Br)c21 587801221 DUBZAFWHVXYGED-WHEQGISXSA-N 413.334 5.296 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)C[C@]1(CC3)N[C@H](C)Cc2cc(Br)c(F)cc21 587801758 IACYIVQAABAGBV-DMZKTXOQSA-N 413.334 5.296 0 1 HKAF COc1ccc([C@H]2C[C@@H]2[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587804267 AJRYTSFYKYVDKB-OKRSVSQCSA-N 404.323 5.150 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)[nH]c2ccccc23)N1 587804669 RXNQOFINTDUMTF-ZLOXQWCVSA-N 423.329 6.020 0 1 HKAF COc1ccc(C(C)(C)C)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587809266 SEIKKPAJDCUPHZ-MPBGBICISA-N 406.339 5.518 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(O)cc3)s2)N1 587845334 DPWMTMZLVSEZMC-PRWKNARSSA-N 418.331 5.646 0 1 HKAF CCCCc1ccc(-n2c(O)cc(Cc3ccccc3)c2OC)c(Br)c1 587935972 HXQLVXRBUVXHQT-UHFFFAOYSA-N 414.343 5.887 0 1 HKAF Brc1cc2[nH]c(CC3CCCCCC3)nc2cc1OCc1ccccc1 587959945 CFFALMGVNHRBGF-UHFFFAOYSA-N 413.359 6.417 0 1 HKAF FC(F)(F)c1c(Br)ccc2nc(/C=C/c3cccc4ccccc34)[nH]c12 587970113 YPTBCKMNYWGYNT-DHZHZOJOSA-N 417.228 6.668 0 1 HKAF O=C(NCCc1ccccc1)Oc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1 653699292 ZSQXPGCCRAIFSY-UHFFFAOYSA-N 412.848 5.063 0 1 HKAF COc1ccc(Sc2ccccc2[C@H]2NCCc3cc(C)c(F)cc32)cc1OC 962298630 NFWHNLOISUIYQZ-XMMPIXPASA-N 409.526 5.538 0 1 HKAF Cc1ccc(C(=O)[C@]2(c3ccc(C)cc3)NCCc3cc(-c4ccccc4)ccc32)cc1 962663011 DKDWXCXPZABBRF-SSEXGKCCSA-N 417.552 6.243 0 1 HKAF CCN(CC)CCOc1ccc([C@H]2NCCc3cccc(-c4ccccc4)c32)cc1 962664772 PQVFHSYAJSYKFR-HHHXNRCGSA-N 400.566 5.309 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)([C@@]2(C)CC3=C(CCCC3(C)C)C[C@H]2C)N1 962951558 UEHHSCYZPQFOKO-HYLYSQLOSA-N 404.642 7.250 0 1 HKAF Cc1cccc(CC[C@]2(c3ccc(C)cc3C)c3c(F)cccc3C[C@@H]3CCCN32)c1 963104233 HVIFALVDWNGWHH-SVEHJYQDSA-N 413.580 6.648 0 1 HKAF Cc1cc(Cl)cc2c([C@@H]3c4ccc(F)cc4C[C@@H]4CCCN43)c(C(C)(C)C)[nH]c12 963112906 XULJXIJXGGKOGT-MBSDFSHPSA-N 410.964 6.676 0 1 HKAF CCCC[C@]1(C(CC)CC)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963172704 DOKOUULVROUAEH-PKOBYXMFSA-N 405.888 5.779 0 1 HKAF CC(C)=CCC(=O)[C@@H](C)CCCC(C)=CCC[C@@]1(C)CCc2cc(O)cc(C)c2O1 2356621837 RYPIDQSBZKCZIV-IDISGSTGSA-N 412.614 7.243 0 1 HKAF COc1cc(OC)c2c(c1-c1ccc(OC)c3c(O)cc(C)cc13)C[C@@H](C)N(C)[C@H]2C 2356735934 QCRNSFIWXGLJQP-CVEARBPZSA-N 421.537 5.484 0 1 HKAF CC(=CCCC(=CC(=O)O)C(=O)O)CCC=C(C)CC[C@@H]1[C@@H](C)CCCC1(C)C 2356826418 HXBOSQKHNKUOJW-RBBKRZOGSA-N 404.591 6.778 0 1 HKAF CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)Cn1c(-c2ccc(F)cc2)[n+](C)c2ccccc21 13305061 XICGSKNNKYSGSQ-JLGINSKQSA-N 423.552 5.276 0 3 HKAF CC(C)c1ccc(CN2C(=O)[C@@H](n3ccc4ccccc43)c3cc(Cl)ccc32)cc1 206026939 IEGWSCCZKOOSAE-VWLOTQADSA-N 414.936 6.554 0 3 HKAF O=C(NCCc1ccccc1F)c1c(-c2ccccc2F)noc1-c1ccsc1 775345 QMHSVEJWNCDTHR-UHFFFAOYSA-N 410.445 5.321 0 1 HKAF COc1cc(-c2nc(N(C)C3CCCCC3)c3ccccc3n2)cc(OC)c1OC 2452314 YZWQJQQXZFJZLR-UHFFFAOYSA-N 407.514 5.092 0 1 HKAF Cc1ccc(CC2CCN(C3(C)CCN(C(=O)c4c(C)cccc4C)CC3)CC2)cc1 3594471 KXMNHKYDYLLZNM-UHFFFAOYSA-N 418.625 5.561 0 1 HKAF C[C@H](COC(=O)c1ccc(-c2cccc(-c3ccccc3)c2O)cc1)CC(C)(C)C 13603842 MUZIAEWWAUGIJK-IBGZPJMESA-N 402.534 6.955 0 1 HKAF CC(C)N(CCOc1ccc(C(=C2CCCCC2)c2ccc(O)cc2)cc1)C(C)C 13605653 FDRISEUHVWYNDI-UHFFFAOYSA-N 407.598 6.656 0 1 HKAF C[C@@H](CCCCOc1cc(-c2ccc(Cl)cc2)cc(-c2ccccc2)n1)C(=O)O 13729723 LLXWFRMECZGHPV-KRWDZBQOSA-N 409.913 6.339 0 1 HKAF COc1c(CC=C(C)C)c(O)cc2c1-c1oc3cc(O)c(CC=C(C)C)cc3c1CO2 14781059 CBPFOSMNDISZLV-UHFFFAOYSA-N 420.505 6.429 0 1 HKAF biogenic,in-vitro CCOc1ccccc1-c1cc(F)c(NC(=O)c2ccsc2C(=O)O)c(F)c1 14960656 DWCVXAVNBJKTIF-UHFFFAOYSA-N 403.406 5.043 0 1 HKAF CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(OC(=O)C(C)C)cc1C 26661970 PNDBTFHNVDRSGJ-UHFFFAOYSA-N 420.509 5.840 0 1 HKAF Fc1ccc(C[C@@H](Nc2nc3cc(C(F)(F)F)ccc3o2)c2ccccn2)cc1 28006069 ZUTORCMXOROFKD-QGZVFWFLSA-N 401.363 5.777 0 1 HKAF c1ccc(C(CC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c2ccccc2)cc1 28111919 XHAIXIPFFWBCDE-ISILISOKSA-N 402.541 6.693 0 1 HKAF Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@@H]2[C@@H](C(=O)O)C1CC1 28563637 OOLVQJBWJFELGB-UPVQGACJSA-N 417.505 5.412 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 33820971 UROPIWALBBMYRP-JTKZRGNMSA-N 420.678 5.554 0 1 HKAF Cc1c(CN2CCCC2)cc(-c2ccccc2)n1Nc1ccnc2cc(Cl)ccc12 40954131 NYWXYVLJVPHUNS-UHFFFAOYSA-N 416.956 6.136 0 1 HKAF COc1ccc(-c2cc(=O)c3cc(CNc4ccc(C)cc4)ccc3o2)cc1OC 45284896 YRXXYTKAGSNSMC-UHFFFAOYSA-N 401.462 5.398 0 1 HKAF COc1cccc(Cc2cnc(CCc3ccc(-c4ccccc4C(=O)O)cc3)[nH]2)c1 49033040 CJMJASMABLTYJJ-UHFFFAOYSA-N 412.489 5.160 0 1 HKAF O=C(O)C[C@H]1COc2cc(OCc3cccc(-c4csc5ccccc45)c3)ccc21 59570108 BUMSVQQHHDPPGL-SFHVURJKSA-N 416.498 6.098 0 1 HKAF COc1cc(OC)cc(-c2cc3c(Nc4ccc(OC)cc4OC)nccc3[nH]2)c1 82082859 FGBHBSOMRKFLCJ-UHFFFAOYSA-N 405.454 5.008 0 1 HKAF CCCCCn1c(C2CCCCC2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187292 LRJBAAUDWNSNPO-UHFFFAOYSA-N 409.553 5.858 0 1 HKAF CCc1nn2c(-c3c(C)cc(OC)cc3C)cccc2c1N(CC1CC1)CC1CC1 84740663 GHQRQQCZXYFOJN-UHFFFAOYSA-N 403.570 5.816 0 1 HKAF Cc1ccsc1C(=CCCN(C)[C@H]1CCCC=C1C(=O)O)c1sccc1C 95582270 MTVVZKYZYJUBSB-IBGZPJMESA-N 401.597 5.744 0 1 HKAF O=c1c(CNc2nc3ccccc3s2)cn(-c2ccccc2)c2cc(Cl)ccc12 96170266 PVRDGTJHCRJNLU-UHFFFAOYSA-N 417.921 5.866 0 1 HKAF O[C@@H](c1ccccc1)[C@H]1CO[C@H](c2ccccc2)[C@@H](C/C=C/c2cccc(F)c2)C1 96921349 WRKSLEZZGHHOED-FSVKHWOVSA-N 402.509 6.357 0 1 HKAF CCCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1cccs1 100703607 GPGBCKCJRCUPIP-HNNXBMFYSA-N 401.557 5.596 0 1 HKAF CCCN1[C@H]2CC[C@H]1CC(=C(c1ccccc1)c1ccc(C(=O)N(CC)CC)cc1)C2 100814736 CLYBTDNNANXCCM-UIOOFZCWSA-N 416.609 6.007 0 1 HKAF Clc1ccc2c(NCCCCCCCCNc3ccnc(Cl)n3)ccnc2c1 103260184 LMHKFNNZWWYMMF-UHFFFAOYSA-N 418.372 6.196 0 1 HKAF Cc1ccccc1CSc1cc2ccccc2[n+](CCCCCC2CCCCC2)c1 103294215 RGNOHGNOHOXXBO-UHFFFAOYSA-N 418.670 7.869 0 1 HKAF Cc1cnc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)o1 105199498 MWVZFHQXDFQCKW-OFVDUGFESA-N 406.505 5.729 0 1 HKAF CC[C@@H](Nc1ccc(Cl)c(CNCCC(=O)O)c1)c1cc(C)c(Cl)c(C)c1 118388864 GLVBNJIIWFDYHK-LJQANCHMSA-N 409.357 5.738 0 1 HKAF Cc1cc(C(N)=O)ccc1-n1nc(C(C)C)c2c(-c3cnc4ccccc4c3)ccnc21 169703495 QXUXXFXFWHSXCY-UHFFFAOYSA-N 421.504 5.166 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@@H]1c1cccc(-c2ccccc2)c1 169728368 ZSAXOEADISZRSG-RPWUZVMVSA-N 401.506 5.344 0 1 HKAF Cc1ccccc1-c1snc(Cl)c1COc1c(F)cc(CCC(=O)O)cc1F 217612021 KSTQLWCMPSCNIP-UHFFFAOYSA-N 423.868 5.646 0 1 HKAF CN[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)N(C)C)[C@H](O)C[C@]4(C)[C@H]3CC[C@H]2C1(C)C 257469527 KYQBSELITRKZKQ-XWOLJXJVSA-N 418.710 5.180 0 1 HKAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3cncc4ccccc34)=CC[C@@H]12 299823419 GAGPFOMCVBTNFU-DDDPIEGRSA-N 411.545 6.499 0 1 HKAF COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(C[C@@H]2CCCC[C@@H]2C)CC1 299857921 FSZQXBYUVRKUIV-WMZOPIPTSA-N 406.998 5.432 0 1 HKAF Brc1cc2c(Nc3cccc(OCc4ccccc4)c3)ncnc2s1 299863738 PTRJJCNRSJKEBV-UHFFFAOYSA-N 412.312 5.776 0 1 HKAF CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O 299880067 LREMEYPTUKLECW-MSNJVRRCSA-N 414.590 5.244 0 1 HKAF CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C/c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991889 RHNATHJHIHLEJM-JZMFZHDMSA-N 409.529 6.794 0 1 HKAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587051998 IVWCWKBUSDVVNX-OAHLLOKOSA-N 420.925 5.441 0 1 HKAF Cc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1Br 587102507 VZQLVZWRBWJTAU-UHFFFAOYSA-N 400.275 6.184 0 1 HKAF Cc1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2cc1Br 587112404 MIFAURZSLZSYDH-UHFFFAOYSA-N 406.205 5.868 0 1 HKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587112521 HVMNQQHHQNKLLN-OAHLLOKOSA-N 412.480 7.079 0 1 HKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587113596 NRDJYUNEALYWAJ-VIFPVBQESA-N 406.757 6.600 0 1 HKAF O=C(O)c1cc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc2cc1F 587114753 YHMQLMFVGYTTLA-UHFFFAOYSA-N 416.330 5.878 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Cl)c(Cl)nc3[nH]2)c(Cl)c1 587158056 CYEXFIAWPYWCSL-INIZCTEOSA-N 422.674 6.226 0 1 HKAF Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3ccc(Cl)cc3[nH]2)cc1 587164812 BPFZENOTVOJNMK-UHFFFAOYSA-N 417.875 5.693 0 1 HKAF C[C@]1(c2c[nH]c3ccc(Cl)cc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330053 MXEGPRXGLXQIOE-ISKFKSNPSA-N 421.855 5.940 0 1 HKAF C[C@]1(c2ccc(OCCF)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335409 QWVROQWXZNRIKK-LADGPHEKSA-N 410.416 5.154 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCO[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 587361425 YNUGLJAPNSBXAW-OYRHQHFDSA-N 404.437 5.181 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(NC(C)=O)cc2C3)c1 587362326 HIOSPBOJDYTBPJ-UHFFFAOYSA-N 420.468 6.186 0 1 HKAF COc1cccc(-c2c(C)c(-c3ccc(OC(C)C)cc3)nc3c2oc2ccccc23)c1 587362451 HQXMIIWZXVVYEF-UHFFFAOYSA-N 423.512 7.419 0 1 HKAF COc1ccc([C@]2(c3ccc(Cl)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587378176 MSWBLQAWRPAKMJ-XMMPIXPASA-N 423.896 5.157 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(=O)c3ccc(C)c(C)c3)cc1)O2 587399755 JWMJHOZGKJBKII-VWLOTQADSA-N 415.489 5.162 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(OC(C)=O)c(OCC)c1)CC2=O 587458333 AIZGLCUOUKAMLA-LJQANCHMSA-N 418.873 5.029 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(CN3CCC(C)CC3)c1)CC2=O 587477974 YRCGQQXYLWACLW-RUZDIDTESA-N 423.553 5.292 0 1 HKAF Nc1ccc([C@@]2(c3cc4ccccc4o3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511693 ROEAZOQYMILJIU-HHHXNRCGSA-N 409.485 5.803 0 1 HKAF O=C1C[C@H](c2ccc(OCc3cn4ccccc4n3)cc2)Oc2c1ccc1c2CCCC1 587514157 GXIXTCOGHSFUFQ-RUZDIDTESA-N 424.500 5.499 0 1 HKAF Cc1ccccc1COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524366 NBUHOHNERRMILW-MUUNZHRXSA-N 412.529 6.333 0 1 HKAF O=C1C[C@@H](c2ccccc2Sc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587533377 SJHRYKFANOELOQ-QHCPKHFHSA-N 420.961 7.077 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Oc2ccccc2)c1 587598908 CIFFMWASDZXPLT-BVAGGSTKSA-N 410.425 5.887 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1nc(-c2ccccc2)no1 587627654 HBOKODMMOCACLT-UHFFFAOYSA-N 411.305 6.231 0 1 HKAF COc1ccc(-c2[nH]c3cccc(F)c3c2-c2ccc(F)cc2)c(Br)c1 587634471 GJRYTKYTRQLKSD-UHFFFAOYSA-N 414.249 6.551 0 1 HKAF COc1ccc(-c2[nH]c3cc(F)ccc3c2-c2ccc(F)cc2)c(Br)c1 587635006 XRRXPJPXXDSXEJ-UHFFFAOYSA-N 414.249 6.551 0 1 HKAF CC(C)(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1Cc1cccc(Br)c1 587648519 GHIGRHJEWULAST-UHFFFAOYSA-N 420.372 5.222 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1C(F)(F)F 587712622 PUTRRIUDCWLXPX-DYZYQPBXSA-N 402.229 5.539 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2C(F)(F)F)N1 587712839 QYQOIJAOLZFIMV-ZKANADHPSA-N 406.192 5.370 0 1 HKAF Cc1cc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(-n2cccn2)c1 587757661 HHRITUDVGXIUGJ-SPLOXXLWSA-N 414.322 5.014 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1CC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810586 DCRBLAFPMKVHKA-JIGPKXGUSA-N 408.399 6.500 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1CC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587810867 DKGOOIIYNJQHCN-LBUQITIBSA-N 408.399 6.500 0 1 HKAF Cc1cccc(-c2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 587819753 NFTCQKOAIHVOGX-WNSKOXEYSA-N 410.330 6.187 0 1 HKAF CCCC[C@]1([C@@H]2CCOC(C)(C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587834487 RUPQLXBLZMVDOG-CMPZQBNXSA-N 412.387 5.713 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1c(Cl)cc(F)cc1Cl 587868330 KKQAGWWUCJSEEW-UHFFFAOYSA-N 406.166 5.408 0 1 HKAF COc1cccc(-c2cc(O)cc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2)c1 587933600 SCYZYSGUIOSUFR-UHFFFAOYSA-N 402.347 5.769 0 1 HKAF CCc1nn2cc(-c3nc4ccc(OCc5ccccc5Cl)cc4o3)nc2s1 653684752 BGLBLVCWMWWPQS-UHFFFAOYSA-N 410.886 5.394 0 1 HKAF CC(C)c1ccccc1OCCN1CCC(NC(=O)Nc2cccc(Cl)c2)CC1 653696807 AIIBCWUCPICMSV-UHFFFAOYSA-N 415.965 5.128 0 1 HKAF Cc1c(F)ccc2c1[C@@](c1ccccc1)(c1cnc(-c3ccccc3)s1)NCC2 962376796 QQCPOBLYHBBZKO-RUZDIDTESA-N 400.522 5.695 0 1 HKAF Cc1cc(Br)cc(F)c1[C@@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962718057 RJNXUQQJMAVCDQ-VLIAUNLRSA-N 424.354 5.489 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CC(C)(C)C(=O)O)(c2ccc(F)c(C)c2)N1 962939922 CIICHCWVHKOADJ-CRICUBBOSA-N 408.517 5.284 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]2(c1ccc(Cl)nc1)c1cccc(F)c1F 963086593 BASTYCGPVPSXFO-SBUREZEXSA-N 414.858 5.465 0 1 HKAF CCOc1cc(OCC)c([C@@H]2NCCc3c(Cl)cc(Cl)cc32)cc1OCC 963117192 CSDCTOFRACEYEH-OAQYLSRUSA-N 410.341 5.425 0 1 HKAF CCCC[C@]1(C(CC)CC)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963172702 DOKOUULVROUAEH-IEBWSBKVSA-N 405.888 5.779 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cccc(OC)c1OCc1cccc(F)c1 963233971 DPPWRJOEFOQAAO-NIYFSFCBSA-N 419.540 6.159 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@H]2c1c[nH]c2c(C)c(Br)ccc12 963269503 KAUAKCBLSVGXKS-LJQANCHMSA-N 405.723 5.136 0 1 HKAF CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)OC)NC(=O)[C@@H]1CCCN1 1772585277 REHMIYQYTIEYDX-FQOOLRNJSA-N 408.627 5.044 0 1 HKAF FC(F)(F)c1c(O[C@H]2CC[C@H](c3ccccc3)CC2)ccn2c(CC3CC3)nnc12 1772608388 PFJJRBBDPVGGQD-IYARVYRRSA-N 415.459 5.806 0 1 HKAF CCOP(=O)(OCC)[C@@H](N(O[C@H](C)c1nccn1C)C(C)(C)C)C(C)(C)C 1857542151 INXHFCOUUUGHJG-NVXWUHKLSA-N 403.504 5.152 0 1 HKAF O=C1N[C@@](c2ccccc2)(c2cscn2)CC(O)=C1Sc1ccccc1Cl 1857567481 DOYROOKHPGNUKL-FQEVSTJZSA-N 414.939 5.122 0 1 HKAF Cc1ccc(C(=O)Oc2cccc3ccc(-c4ccc(C(F)(F)F)cc4)nc23)cc1 1857576566 YBRIDKPNFTZDDC-UHFFFAOYSA-N 407.391 6.448 0 1 HKAF CC(C)[C@H](O)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356340213 JZCPTPIGOKTFQQ-CGMWEPDWSA-N 400.647 6.280 0 1 HKAF C[C@@H](C=CC[C@@H](C)[C@H](C)O)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C 2356395720 UXZPNUUPUOEZMX-MOILFXNXSA-N 412.658 6.734 0 1 HKAF CC(C)[C@@H](C)C=C[C@H](CO)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356456857 SMZGUWPPJLUJON-GPSADROQSA-N 416.690 6.463 0 1 HKAF O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)NC1C[C@@H]2CCC[C@H](C1)N2C1CC1 4882643 WOEAYXLJAHISIF-LQDVMPOASA-N 401.860 5.028 0 3 HKAF CC(C)(C)c1ccc2oc(=O)cc(-c3cccc(-c4ccc(C(F)(F)F)cc4)c3)c2c1 34114894 LSOSGMAMLDBFMH-UHFFFAOYSA-N 422.446 7.443 0 3 HKAF O=C(O)[C@H](CCCCCc1ccc(Cl)cc1)Oc1ccc(C2CCCC2)cc1 3823493 IBPKLRNZCCLAME-QHCPKHFHSA-N 400.946 6.633 0 1 HKAF investigational CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC4 4046850 SETGEOOJKVZYTE-VIFJTDLLSA-N 424.713 8.521 0 1 HKAF C[C@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc(CSCc2ccccc2Cl)o1 4710105 VMMJQCJJGIIEKM-CALCHBBNSA-N 421.006 5.359 0 1 HKAF C[C@H]1CCc2cc3c(cc2N1C(=O)c1ccccc1)CC[C@@H](C)N3C(=O)c1ccccc1 13402693 VQFBLKMLTRLLEV-BGYRXZFFSA-N 424.544 5.650 0 1 HKAF biogenic CC1=CC(C)(C)Nc2ccc3c(c21)COc1c-3cc(Br)c(C=O)c1F 13490456 VXRUDZMHVUXDPT-UHFFFAOYSA-N 402.263 5.568 0 1 HKAF COC(=O)CCSc1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1 13796290 PJQDPHPMGRNPKM-UHFFFAOYSA-N 408.589 5.161 0 1 HKAF Cc1c(SC2CCNCC2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1 27886521 OAZVYOWPTNMZDA-UHFFFAOYSA-N 405.394 6.149 0 1 HKAF CC(C)N(Cc1ccncc1)C(=O)Cc1c(-c2ccccc2Cl)[nH]c2ccccc12 27898318 PALNUDJZQNISFV-UHFFFAOYSA-N 417.940 5.863 0 1 HKAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cccc(Cl)c1)C(F)(F)F 28862330 PNAJZOSKCGZBFF-IBGZPJMESA-N 404.831 5.692 0 1 HKAF Clc1ccc([C@H](c2ccc(OCCN3CCOCC3)cc2)c2cccs2)cc1 29130533 UVEJEFAENDWUTQ-HSZRJFAPSA-N 413.970 5.293 0 1 HKAF COc1cc(Nc2cncc(Oc3cccc4ccccc34)n2)cc(OC)c1OC 40412825 XHELPAXZVJVVIO-UHFFFAOYSA-N 403.438 5.192 0 1 HKAF Nc1ccc([C@H](C(=O)NCCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 40918105 NLZWGCCLVBJWGY-MUUNZHRXSA-N 420.556 5.739 0 1 HKAF Cc1ccc(CN2CCN(C(=O)c3cc4ccccc4o3)C[C@@H]2Cc2ccccc2)cc1 43019242 HULWOOGEHDFSNJ-VWLOTQADSA-N 424.544 5.311 0 1 HKAF Fc1cccc(F)c1Cc1cnc(Nc2ccc(CCOc3ccncc3)cc2)o1 49070621 GPGPEGOSQOQZRT-UHFFFAOYSA-N 407.420 5.304 0 1 HKAF COc1cccc(-c2ccc3c(c2)CO[C@]3(CCCN(C)C)c2ccc(F)cc2)c1 62224786 IKWQFLAKQWTTGU-AREMUKBSSA-N 405.513 5.617 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC[C@@H]5C(C)(C)CCC[C@]5(C)C4=CC[C@@]3(C)[C@@H]2C1 70451137 GAYMPSVFXABRFZ-RDDAHLCPSA-N 410.730 9.198 0 1 HKAF biogenic,in-vitro Oc1cccc(Sc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)c1 71295020 BSGNPEPPTNMFAQ-UHFFFAOYSA-O 406.615 7.125 0 1 HKAF O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1 82151621 RWCQKGYXYLNOEC-UHFFFAOYSA-N 413.974 5.125 0 1 HKAF C/C(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/CO)[C@@H]1C=C2C(C)(C)C[C@@H](O)C[C@]2(C)O1 85673589 OOJOUQLXWXASLN-VTZCEUORSA-N 410.598 5.751 0 1 HKAF endogenous,in-man O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(-c3ccc(F)cc3)cnc2C1 95565499 PIKQBNWRQNNLDN-UHFFFAOYSA-N 423.797 5.017 0 1 HKAF c1ccc(-c2csc(Nc3nc(-c4ccccn4)nnc3-c3ccccc3)n2)cc1 95566404 SFLIDSZKPUWPJR-UHFFFAOYSA-N 408.490 5.468 0 1 HKAF Nc1scc(CN2CCc3[nH]c4ccccc4c3C2)c1C(=O)c1ccc(Cl)cc1 96914668 PXXZUCNBFDBOOM-UHFFFAOYSA-N 421.953 5.254 0 1 HKAF Cc1cccc2c(=O)[nH]c3c(-c4nc(-c5ccc(Cl)cc5)cs4)c(O)cn3c12 102884241 XXCPBMJNZGDWIR-UHFFFAOYSA-N 407.882 5.239 0 1 HKAF C[C@@H]1CC[C@H](NS(=O)(=O)c2cccs2)CCCCCCCCCCC(=O)O1 103219618 CPZMETPVPARJGO-QZTJIDSGSA-N 415.621 5.022 0 1 HKAF COP(=O)(OC)[C@H](OC(=O)COc1c(Cl)cccc1Cl)c1ccccc1 103292589 WHHOVQPRDZBOAL-KRWDZBQOSA-N 419.197 5.100 0 1 HKAF C[C@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(c5cncc(Cl)c5)[C@@]4(C)CC[C@@H]32)C1 141122655 GHXGGVKSLVDREB-OCDMRJEVSA-N 400.006 6.522 0 1 HKAF CC[C@H](c1ccc(Cl)cc1)n1nc(-c2ccc(F)cc2)c2c1CCN(C(C)=O)C2 204895452 MSZDGTUPPMSZMU-OAQYLSRUSA-N 411.908 5.247 0 1 HKAF C[C@]1(Cn2cnc3ccc(C#N)cc32)CCC[C@@]2(CN(c3ccccc3F)C(=O)O2)C1 205512479 CZCHXMQKHDHXBM-ZEQRLZLVSA-N 418.472 5.023 0 1 HKAF Nc1cnc(-c2ccc(C3CCC3)c(Oc3nccc(-c4cccs4)n3)c2F)cn1 224558981 QQKBUYJWZNQIMV-UHFFFAOYSA-N 419.485 5.443 0 1 HKAF Cc1cc(F)c2nc(-c3ccc(S(=O)(=O)Nc4cccc(C)c4C)cc3)[nH]c2c1 586947438 OLALEVURLRCKQB-UHFFFAOYSA-N 409.486 5.095 0 1 HKAF COc1cc2[nH]c(-c3cccn3-c3ccc(Br)cc3C)nc2cc1Cl 586980307 OOVWYNBDUFHVJV-UHFFFAOYSA-N 416.706 5.754 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1c(Br)cccc1C4)-c1ccccc1C2=O 586993293 JGCFNDXOTYRRFK-UHFFFAOYSA-N 412.286 6.088 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncc(C(F)(F)F)cc4[nH]3)c21 587032067 YOUGVNILKBPNBC-LLVKDONJSA-N 402.445 5.936 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc3nc(C)ccc3c2[nH]1 587035083 NSJNABLPFPNZRA-LJQANCHMSA-N 414.534 5.905 0 1 HKAF c1ccc(C[C@@H]2N[C@H](c3nc4ccc(Sc5ccccc5)cc4[nH]3)CS2)cc1 587042694 WBUKGZQXUQCZLQ-FCHUYYIVSA-N 403.576 5.660 0 1 HKAF Clc1ccc(Cl)c(-c2ccc(-c3nc4ncc(Br)cc4[nH]3)o2)c1 587052060 WQRHRPHGHMEEEM-UHFFFAOYSA-N 409.070 5.954 0 1 HKAF Cc1cccc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c12 587053862 HIAHNSJSYKOUNM-AWEZNQCLSA-N 413.304 7.110 0 1 HKAF CNc1cc(Cl)ccc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587066887 IWAFUCJODUHFFS-UHFFFAOYSA-N 404.617 5.706 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2c1 587080443 MZFSIVVSEMPNKJ-CYBMUJFWSA-N 417.612 5.674 0 1 HKAF Cc1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1Br 587132114 KFPNVRVEPPWYBN-NSCUHMNNSA-N 403.148 5.500 0 1 HKAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1 587147442 NIEFXPQJZDKXMV-UHFFFAOYSA-N 412.749 5.581 0 1 HKAF Cc1c(Br)cnc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc12 587192825 FQSSQZAWTLCKOZ-UHFFFAOYSA-N 407.315 5.236 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 587235755 REMBCAHSNFRDIE-RTBURBONSA-N 421.541 5.693 0 1 HKAF C[C@@H]1Cc2ccc(Cl)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587329390 LLKHJAONEOFIGJ-LKEWYZSESA-N 408.856 5.631 0 1 HKAF CN(C)c1cc(F)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336616 QTWRQKWMTKHVAQ-UPVQGACJSA-N 409.432 5.011 0 1 HKAF Nc1ccc([C@]2(C3CCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587340127 VCOZZTLWPZRWJN-NOZRDPDXSA-N 403.453 5.168 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](Cc2ccccc2)CCC3)c1 587367437 QIGYSJQXWZWHRF-OAQYLSRUSA-N 419.524 7.319 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc3c(cc1C)C(C)(C)[C@@H](C)CC3(C)C)O2 587405066 JEKQLCDOKLTMDY-SOKVYYICSA-N 405.582 6.361 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(Br)cc1)[C@@H](C2)C3=O 587416660 DWPLKTJKHAPHFT-WMZHIEFXSA-N 421.290 5.149 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1Oc1ccc(F)c(F)c1)CC2=O 587466024 JAJJZDDOTAIAOR-QHCPKHFHSA-N 410.416 6.122 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(F)cc3)nc3ccccn13)CC2=O 587473219 YMNPSUVJLVZGKW-OAQYLSRUSA-N 416.452 5.505 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3ccccc3OC)o1)CC2=O 587483000 QEQQXKCSTMHSHK-QHCPKHFHSA-N 408.450 5.232 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H]1O[C@H]1c1ccccc1)CC2=O 587491106 NCXMQXPZFDXNLD-SKBVVQJISA-N 400.474 5.346 0 1 HKAF O=C1C[C@H](c2cc3cc4c(cc3nc2Cl)CCC4)Oc2c1ccc1c2CCCC1 587503888 ZWEICATXLAHKRY-HSZRJFAPSA-N 403.909 5.962 0 1 HKAF CC(C)(C)c1nn(Cc2ccccc2)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513574 CKVDSFSVEPRWKC-DEOSSOPVSA-N 414.549 5.814 0 1 HKAF C[C@]1(Cc2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547041 RZTASFXTWKBMAF-SIKLNZKXSA-N 415.272 5.662 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H]2c1ccccc1Cl 587549289 RMEDPRQRHMSYFF-GQOCTPOGSA-N 406.865 5.714 0 1 HKAF Cc1cc(Cl)c2c(c1)[C@@]1(CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551744 JEIALXHNUOEOGK-HYBUGGRVSA-N 422.864 5.384 0 1 HKAF Cc1cc(Cl)cc2c1OCCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552801 SOTOPTWOYUIMBC-RDPSFJRHSA-N 422.864 5.384 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3ccccc3Cl)c2)N1 587693062 CGRLIEPQWOPYNP-WLRWDXFRSA-N 420.713 5.051 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc(Cl)ccc3n2C)N1 587695774 JNRUTRANWIKDDY-APBUJDDRSA-N 407.714 5.357 0 1 HKAF Cc1c(Cl)ccc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)[nH]c12 587698537 QMXSYEOVXDAYPS-HOGDKLEQSA-N 407.714 5.655 0 1 HKAF C/C(=C\c1cc(Cl)ccc1O)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587702962 PVUFTKWXRQALAX-GUYMOSHQSA-N 410.714 5.626 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)cc2F)N1 587710396 GBDZZPPYKWORCM-XLFHBGCDSA-N 420.219 5.544 0 1 HKAF Cc1cc(OC(F)(F)F)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587722885 UNZKFVYPBLJAKF-BTDLBPIBSA-N 418.228 5.419 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2N)(C2CCCC2)N1 587745284 DZZNJFAZDCGCQG-LRTDBIEQSA-N 403.339 5.138 0 1 HKAF C[C@@H](c1ccccc1)N1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587770645 SLLWBKFFYSRQRV-CVEARBPZSA-N 417.366 5.175 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587779899 JFIYAYFEWWBFSG-UHFFFAOYSA-N 422.553 7.447 0 1 HKAF Cc1ccc(C(C)C)c2c1[C@@]1(CCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587833991 JLZQPTZXEJNBQS-FPTDNZKUSA-N 418.350 5.580 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1ccccc1Br 587861015 JEMBTQSYPNWWKY-UHFFFAOYSA-N 411.221 5.388 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccc(-c2ccccc2)cc1 587870393 GTTCHVGLQZXUHN-UHFFFAOYSA-N 400.453 5.638 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c2C)c(OC)c1 587928433 CJUYDWIDPXCOMX-UHFFFAOYSA-N 413.304 6.529 0 1 HKAF COc1cccc([C@H](C)Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 587931825 OPZNPNBPBOBCJS-SNVBAGLBSA-N 402.338 5.955 0 1 HKAF COc1cc(-c2ccccc2)c(OC)n1-c1cnc2cc(Br)ccc2c1 587939712 KOJVILRRUYWKER-UHFFFAOYSA-N 409.283 5.472 0 1 HKAF CCOc1cc(CC(C)=O)c(OCC)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 587946590 ZNMYOTKEJCGHHS-UHFFFAOYSA-N 415.436 5.477 0 1 HKAF CN(C)CCOc1ccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2c1 587956866 DPBDQCLFKRHOQA-UHFFFAOYSA-N 417.594 5.422 0 1 HKAF CC(C)CCCCCCCCCCCCCCCCCc1nc2cnncc2[nH]1 587957799 VIOGEPZNDDWCQD-UHFFFAOYSA-N 400.655 7.793 0 1 HKAF C[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)[C@@H]3Cc4cc(O)ccc4O[C@]3(C)CC[C@H]21 621430950 SSYYQRHNVQFDDJ-UYOKVPKHSA-N 412.570 5.809 0 1 HKAF C[S@](=O)c1ccc([C@H](CC2CCCC2)c2[nH]c3ncccc3c2CO)cc1Cl 653784939 ZTVXSWAKKVLTMA-HPGBDJQBSA-N 416.974 5.158 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(C)C[C@H]1CCCCC1=O 961773094 DDKDPUBFEDXEDK-IQGLISFBSA-N 412.574 5.203 0 1 HKAF Cc1cccc([C@]2(c3ccccc3C)c3cccc(F)c3CCN2[C@@H]2CCSC2)n1 962716925 UFUADERZNNRIJB-IBVKSMDESA-N 418.581 5.493 0 1 HKAF CCC(C)(C)[C@]1(c2ccc(C)cc2C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962951291 FVDYBRLZCDMCHZ-WZONZLPQSA-N 421.915 5.514 0 1 HKAF c1cncc(CN2CCc3sccc3[C@@]23CC2(CCCCC2)Cc2ccccc23)c1 963014345 RZXWDDCUZXMJRB-MHZLTWQESA-N 414.618 6.342 0 1 HKAF Cc1c(Br)sc2sc([C@H]3NCCc4c(C(=O)O)cccc43)c(C)c12 963131658 APQKVRMZLXRBIL-AWEZNQCLSA-N 422.369 5.275 0 1 HKAF COc1ccc2c(c1OC)[C@](CC(C)(C)C)(C1CC1)N(C(=O)c1ccccc1N)CC2 963137942 IWWOBLWHYAZQMN-SANMLTNESA-N 422.569 5.026 0 1 HKAF C[C@H](CCC(C)(C)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@@]3(C)O 1772585980 JSDZSOMBCZSRPN-QYURNRPHSA-N 420.678 5.554 0 1 HKAF COc1ccccc1N1CCN(C(=O)N2c3ccccc3C=Cc3ccccc32)CC1 1772593315 CNZKQQOCKDCYML-UHFFFAOYSA-N 411.505 5.259 0 1 HKAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3c(ccc(OCC(C)C)c3Cl)C2)cc1 1772632575 XXMUDJKDMVCDAH-KRWDZBQOSA-N 414.977 5.130 0 1 HKAF O=C(O)CCCc1nc(-c2ccc(Cl)c(Cl)c2)c(-c2cccc(Cl)c2)o1 1857542723 ZNXRFBNLQHQYOE-UHFFFAOYSA-N 410.684 6.376 0 1 HKAF O=C(O)c1ccc(-n2cc(C(=O)c3c(Cl)cccc3Cl)c3ccncc32)cc1 1857562625 IUWXNUQWDPPSST-UHFFFAOYSA-N 411.244 5.262 0 1 HKAF C[C@@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(F)cc1)c1ccc2c(c1)CCC2 1911576599 QDVRQTYAHCQVMP-QGZVFWFLSA-N 419.544 5.218 0 1 HKAF CCCCC[C@H](O)/C=C/c1c(Cl)cc(Cl)c(=O)n1CCCCCCC(=O)O 1911577056 XYACDSMVDVMDOL-RUMSDORHSA-N 418.361 5.145 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356382500 CQSRUKJFZKVYCY-ZUZBAXIESA-N 414.718 8.025 0 1 HKAF COc1cc2c(cc1C=C(C)C)[C@@H]1COc3c(ccc(OC)c3CC=C(C)C)[C@@H]1O2 2356720052 OWVQBBXRFSSWLP-LVXARBLLSA-N 406.522 6.245 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@](C)(CCC(C)=CC(=O)O)[C@H]2CCC=C(C)[C@@]12C 2356776504 XEAOZVIWAIPENF-KJOYFNOOSA-N 402.575 6.084 0 1 HKAF Fc1ccc(-c2cc(-c3nc(-c4c(F)cccc4F)no3)c3ccccc3n2)cc1 2479420 FLIOZMCWUKIXPT-UHFFFAOYSA-N 403.363 6.036 0 1 HKAF Clc1ccc(-c2cc(-c3nc(Cc4cccs4)no3)c3ccccc3n2)cc1 2479424 HMFHGBZEHPFYPG-UHFFFAOYSA-N 403.894 6.258 0 1 HKAF CC(C)CCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)cc1F 2482185 AOXMKEPKTPMRHF-UHFFFAOYSA-N 421.299 6.230 0 1 HKAF O=C1CCC2(C[C@@H]1CC(Sc1ccccc1)Sc1ccccc1)OCCO2 3596961 YDCZXBQZJYNXQQ-KRWDZBQOSA-N 400.565 5.400 0 1 HKAF C[C@@H]1CC/C(=C\c2ccc(F)cc2)C2=C1[C@@H](c1ccc(F)cc1)N1C(=O)CSC1=N2 5844589 XXQCGJLVUBZNPV-VDKXSCDSSA-N 422.500 5.719 0 1 HKAF COC(=O)[C@@](Nc1ccc(Cl)c(Cl)c1)(c1cc(C)c(O)c(C)c1)C(F)(F)F 8399333 BGTJILXSDGGMGI-KRWDZBQOSA-N 422.230 5.359 0 1 HKAF CC(=O)c1ccc2oc([C@@]3(C)CC[C@@](C)(O)c4oc5ccc(C(C)=O)cc5c43)cc2c1 13305065 MLBPWTDFMXETIN-CLJLJLNGSA-N 416.473 5.892 0 1 HKAF biogenic CCc1cc(-c2cccc(C)c2)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 13744113 NLWXFZITBNGDOQ-UHFFFAOYSA-N 408.546 5.360 0 1 HKAF CCc1cc(-c2ccccc2C)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 13744114 NUXABQNOSYCDJL-UHFFFAOYSA-N 408.546 5.360 0 1 HKAF Cc1c(-c2ccc(Cl)cc2Cl)[nH]c(C(=O)O)c1/C=C/C(=O)Nc1ccccc1 13778849 PWAMHXUXQPKASG-MDZDMXLPSA-N 415.276 5.647 0 1 HKAF CCCC[C@@H](CC)CCC[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 13835219 NFGYEXOOFKJDKY-FBOPUAFCSA-N 412.658 7.366 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@@H](C)C[C@H]4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 27299810 PVJNSDNELNARLT-VBFCDYNISA-N 413.690 6.950 0 1 HKAF Cc1ccc(-c2nn3c([C@H](C)c4ccc(-c5ccccc5)cc4F)nnc3s2)cc1 28654622 SXMRMHYXRUEVST-MRXNPFEDSA-N 414.509 6.119 0 1 HKAF C(=C/c1ccccc1)\CN1CCC(Nc2nc3cccnc3n2Cc2ccccc2)CC1 29566131 TZZNUEYHFZUBBZ-MDWZMJQESA-N 423.564 5.069 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 36188570 QASMLJURBZXYNW-SEEOLUGXSA-N 401.679 6.928 0 1 HKAF CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 40165455 FMFAICDKESPFNH-NGUKQJDXSA-N 414.674 6.814 0 1 HKAF endogenous,in-man COc1ccc(Br)cc1[C@@H]1CNc2cc(C(F)(F)F)ccc2S1 40973937 QBUCWYPAHYNZRD-HNNXBMFYSA-N 404.251 5.735 0 1 HKAF COc1ccc(-c2oc3ccc(C)cc3c2C(=O)c2ccccc2Br)cc1 72176344 XESIUTOJLRBPHL-UHFFFAOYSA-N 421.290 6.410 0 1 HKAF COC(=O)c1cccc(-c2ccc(NC(=O)c3ccc4cc(Cl)ccc4c3)cc2)c1 73197827 PTOLMFJGSKPZOQ-UHFFFAOYSA-N 415.876 6.199 0 1 HKAF CCc1cnc(-c2cnc(NCc3ccccc3F)nc2-c2ccccc2F)s1 82176010 PZKFDHOXPUUHKH-UHFFFAOYSA-N 408.477 5.720 0 1 HKAF CC[C@@H](C)Cn1c(CCc2ccccc2)nc2c(NCc3ccc(C)cc3)ncnc21 82179311 PEQFARGGUYETAI-LJQANCHMSA-N 413.569 5.578 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCc3cccs3)ncnc21 82190031 JJWWFEKJERXBMG-OAHLLOKOSA-N 407.543 5.222 0 1 HKAF CCCCCCS(=O)(=O)n1c2ccc(Cl)cc2c2ccc([C@@H](C)C(=O)O)cc21 95557615 QUTWXVXLTJHYTG-CQSZACIVSA-N 421.946 5.394 0 1 HKAF O=C(O)C1CCN(Cc2coc3cc(Oc4nc5ccccc5s4)ccc23)CC1 95595546 PBFXIFNZNWKWMV-UHFFFAOYSA-N 408.479 5.131 0 1 HKAF c1ccc2c(-c3cnn4cc(-c5ccc(N6CCOCC6)cc5)cnc34)csc2c1 96270785 BRTTWVQRKMPQGY-UHFFFAOYSA-N 412.518 5.115 0 1 HKAF CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc(C(C)C)cc1 100704850 VXMBAQOASSLVIL-KRWDZBQOSA-N 409.555 5.878 0 1 HKAF CN1[C@@H]2CC[C@@H]1[C@H](c1nc(-c3ccc(Cl)cc3)no1)[C@@H](c1ccc(Cl)cc1)C2 100751743 WIOSJRNBAZNBKL-UAFMIMERSA-N 414.336 5.777 0 1 HKAF OCCc1ccc([C@]2(c3cccs3)C[C@H]3c4ccccc4[C@H]2c2cccc[n+]23)s1 100819816 IZEPCKLRFRANHV-GVXSCFBNSA-N 416.591 5.057 0 1 HKAF Cc1ccc2nc(-c3ccccc3N3C(=O)CS[C@H]3c3cccc(O)c3)[nH]c2c1 103208341 ILMNLWSVQMQONB-QHCPKHFHSA-N 401.491 5.023 0 1 HKAF CCc1cnc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccco2)s1 105193222 KINYATIIQDKZHA-USJZOSNVSA-N 408.571 5.905 0 1 HKAF COC[C@@H](C)NC(=O)c1cc(NC(=O)c2sccc2C)cc(-c2ccc(C)cc2)c1 142622191 KXRKIVGFNKHJJM-QGZVFWFLSA-N 422.550 5.049 0 1 HKAF c1cnc(Oc2ccc(Nc3nc4ccccc4s3)cc2)c([C@@H]2CCCOC2)c1 144145090 VYMZXODHLCBXSG-MRXNPFEDSA-N 403.507 6.121 0 1 HKAF O=C(O)COc1cc2c(c(Cl)c1Cl)C(=O)[C@@]1(c3ccccc3)CCCC[C@@H]21 169323049 CGSWWVIWWZGZMO-LHSJRXKWSA-N 405.277 5.249 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 255261426 QQWIMVRGPKFDGM-UOOYSJIHSA-N 424.713 8.543 0 1 HKAF Fc1cc(C(F)(F)F)c2[nH]c(CCNc3ccc(Br)cc3)nc2c1 586994881 DPWIOYGVTMWWNV-UHFFFAOYSA-N 402.189 5.138 0 1 HKAF Cc1ccc2c(ccc3nc(/C=C/c4cc5c(cc4Br)OCO5)[nH]c32)n1 586998996 RJZAJOYDSWEHFS-XVNBXDOJSA-N 408.255 5.081 0 1 HKAF Cc1cc2c(Br)ccc(-c3nc4cc(Br)cc(C)c4[nH]3)c2o1 587003839 NCIOVCASPROKAE-UHFFFAOYSA-N 420.104 6.118 0 1 HKAF Cc1cc(F)c2[nH]c(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)nc2c1 587019378 YYTIWNFGDPXKHK-UHFFFAOYSA-N 420.340 6.767 0 1 HKAF Cn1cc(-c2ncc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)s2)cn1 587022293 XMSMLPLSVWZSJU-UHFFFAOYSA-N 414.519 5.364 0 1 HKAF FC(F)(F)c1cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2cc1Br 587023531 LCYMJEVKUCYAHP-UHFFFAOYSA-N 424.245 6.135 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cnc4ccccc4c3[nH]1)N2 587031488 ODXCEQFKJNGILY-PFSWGADMSA-N 421.551 5.238 0 1 HKAF FC(F)(F)c1cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2cn1 587048063 POIAUPKLHFLEDU-UHFFFAOYSA-N 408.210 6.618 0 1 HKAF COc1cc2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2cc1OC 587056377 MYLPVMCXWYNUMP-UHFFFAOYSA-N 419.264 5.726 0 1 HKAF Cc1cc(-c2nc3c(F)c(F)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587059479 SBJWJSFGADIYMS-UHFFFAOYSA-N 423.854 5.571 0 1 HKAF Fc1cc2nc(-c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1-n1cccn1 587071535 OEMJCBZVDLAMIP-UHFFFAOYSA-N 418.859 5.787 0 1 HKAF CC(C)(C)OC(=O)N[C@H]1CCCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587104638 SRPHNPJTMDKJHR-FQEVSTJZSA-N 414.505 5.738 0 1 HKAF CC(C)(C)C[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338091 SVTNLSSUAOSHLB-ZEQKJWHPSA-N 422.471 6.361 0 1 HKAF CC[C@@H](OC)c1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 587363682 SJDXPYQFOJWBSW-RUZDIDTESA-N 423.512 7.421 0 1 HKAF COc1cccc(-c2cc(-c3ccc(CC(C)C)cc3)nc3c2oc2ccccc23)c1 587365157 IDYSWROCDOXZEV-UHFFFAOYSA-N 407.513 7.522 0 1 HKAF CCC[C@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587379666 ZLAWMUVMUQGNIJ-IFMALSPDSA-N 416.901 6.301 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H]1CCCC[C@@H]1C(=O)O)CC2=O 587491391 VAEPXAPHCKMHIZ-APJQNUAFSA-N 408.494 5.096 0 1 HKAF COc1ccc(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587507474 QSTMUUNJHNOMBK-QHCPKHFHSA-N 407.897 5.725 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1OCC1CC1 587574117 ZASMXSBUYDMPGJ-QPPBQGQZSA-N 406.409 5.023 0 1 HKAF Cc1c(-c2cc(Br)ccc2OC(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587630057 PRGVIUJBXQCVBN-UHFFFAOYSA-N 422.603 6.597 0 1 HKAF Fc1cccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc4ccccc4n3)c12 587634038 PUUUAGFIMKKPSD-UHFFFAOYSA-N 406.382 7.208 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2cc(Cl)ccc2Cl)N1 587695815 SFFYWBXXTYKOBL-MGNBDDOMSA-N 417.149 5.887 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1Cl 587695862 SHCYIBUPXKMRCC-HUTHGQBESA-N 403.122 5.827 0 1 HKAF Cc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587711384 XAQPXAOZWRFGMW-SGTLLEGYSA-N 416.256 5.545 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)nc2C(F)(F)F)N1 587714403 PVQIVWNYVBMPGR-JKYUHCHBSA-N 423.635 5.279 0 1 HKAF Cc1ccc(C)c(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587796022 PNBVUPWEJARTQE-RNODOKPDSA-N 414.322 5.219 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(Cc3ccccc3)CC2)N1 587818667 SEBNJVWXDAVRPQ-RMQYNXQMSA-N 402.351 5.751 0 1 HKAF Cc1c(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c(C)c1C=O 587819711 MRURJUDFVUVIFG-CWKPULSASA-N 404.323 5.258 0 1 HKAF Cc1nc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cs1 587855736 VURSVWLXEBVSHI-DYBLOJMWSA-N 423.376 5.705 0 1 HKAF FC(F)(F)c1cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2cc1Br 587965676 VFWQZZQQZCXPOR-UHFFFAOYSA-N 411.265 6.184 0 1 HKAF CCOC(=O)c1ccc(N[C@H](c2ccccc2)c2ccc(Br)cc2)cc1 653811095 JFMMQBUJSWJIEG-OAQYLSRUSA-N 410.311 5.827 0 1 HKAF Cc1cc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c(C)n1Cc1ccccn1 962716910 UBYNLLRQUTWIIF-CJFMBICVSA-N 421.585 5.140 0 1 HKAF Clc1cc(Cl)c2c(c1)[C@@](c1ccccc1CN1CCCC1)(C1CC1)NCC2 963113032 UIZPDQKJDRMWIZ-QHCPKHFHSA-N 401.381 5.389 0 1 HKAF O=C(CCc1cnc2[nH]cc(-c3ccccc3)c2c1)NCCc1c[nH]c2ccccc12 1772608053 BOZJFMFCYVMHAJ-UHFFFAOYSA-N 408.505 5.003 0 1 HKAF O=C(OCCCCCOc1ccc(-c2cc(=S)ss2)cc1)c1cccnc1 1772630423 QMYFNLGHXAUVFK-UHFFFAOYSA-N 417.577 6.007 0 1 HKAF CC(C)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857586951 QZSZPLMAGFZZDD-ZHHJOTBYSA-N 415.662 5.867 0 1 HKAF Fc1ccc(-c2ccccc2N2CCN(CCc3c[nH]c4ccc(F)cc34)CC2)cc1 1857655936 KTDVEISICPCTAT-UHFFFAOYSA-N 417.503 5.478 0 1 HKAF CCCOc1ccc(-c2cc(OCCN3CCCCC3)c3cc(O)ccc3n2)cc1 1857748965 YFWXANBARVEMPX-UHFFFAOYSA-N 406.526 5.261 0 1 HKAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@]3(C)CC[C@@H]4CCC(C)(C)C[C@H]4[C@@]3(C)CC[C@]21C 2356464916 GCKDQWCHVGKSQF-KBPONKFASA-N 412.702 8.067 0 1 HKAF COc1cc2c(cc1CC=C(C)CCC=C(C)C)[C@@H]1COc3cc(O)ccc3[C@H]1O2 2356545374 RQUGKUQXWLYLSN-BKMJKUGQSA-N 406.522 6.246 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 5719020 KZJWDPNRJALLNS-STIDJNKJSA-N 414.718 8.025 0 1 HKAF CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)C[C@H]3CC[C@@H](CO)C[C@H]23)c(O)c1 5820250 ZAELPWSCABXXAB-QXASVXAKSA-N 402.619 5.903 0 1 HKAF Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NC3CCCCC3)nc21 13780915 SPPVVBKDFLCZFT-UHFFFAOYSA-N 403.313 5.047 0 1 HKAF Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1Cl 26290680 HGUAVYAPBJPMFL-UHFFFAOYSA-N 414.958 5.227 0 1 HKAF Cc1cccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CN2CCC(c3ccccc3)CC2)c1 26656662 VFLGCTDTGODARK-XZWHSSHBSA-N 424.632 6.090 0 1 HKAF CC1(C)CCC(C)(C)c2c(F)cc([C@@H](O)c3ccc4cc(C(=O)O)ccc4c3)cc21 26716944 SEEUJUNLPYMQES-QHCPKHFHSA-N 406.497 6.108 0 1 HKAF Cc1ccc(Cc2cnc(SCCCCCCCCc3ccccc3)[nH]c2=O)cn1 27312951 PMKKSYRAPLEREH-UHFFFAOYSA-N 421.610 5.740 0 1 HKAF Clc1ccc(CO[C@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc1 27526074 NEMILYAYVCLLDG-SXOMAYOGSA-N 417.980 6.152 0 1 HKAF Cn1c2c(c3ccccc31)C(=O)[C@H](CN1CC=C(c3c[nH]c4ccccc34)CC1)CC2 27735166 ZTZHOHVSQXWIGJ-IBGZPJMESA-N 409.533 5.194 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCc1ccc(OC)cc1 28565390 AWKAXTNPAOUFMN-ZKWNWVNESA-N 423.641 7.457 0 1 HKAF O=C1N(CCCCCCOc2ccc(Br)cc2)CCN1c1ccccc1 29401538 QIKHWEWPQGPQHY-UHFFFAOYSA-N 417.347 5.331 0 1 HKAF O=S(=O)(Nc1nc2cc(-c3ccoc3)ccc2o1)c1cc(Cl)ccc1Cl 36241885 IWUYVNDEFCYLDH-UHFFFAOYSA-N 409.250 5.195 0 1 HKAF CCC[C@]1(c2ccc(F)cc2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F 36479192 UMSZZDWDDFJAIH-SFHVURJKSA-N 400.803 5.933 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 40165381 LMYZQUNLYGJIHI-FVJILWHASA-N 400.691 7.635 0 1 HKAF endogenous,in-man CC(=O)c1c(Nc2ccc(Cl)cc2Cl)[nH]c2c(Cl)ccc(Cl)c2c1=O 40395541 OOFXKIONTFSFIF-UHFFFAOYSA-N 416.091 6.088 0 1 HKAF FC(F)(F)c1ccc(Nc2noc3cc(-c4cccc5cnccc45)ccc23)cc1 45256476 YHOGLWOZNXUYKM-UHFFFAOYSA-N 405.379 6.805 0 1 HKAF CC1=C(O)/C(=C/[C@H](C)/C=C/C=C(\C)CCCc2coc(Cc3ccoc3)c2)OC1=O 49067716 CEXOYSUPLKGFML-BSUABGGISA-N 408.494 6.197 0 1 HKAF COc1ccc([C@@H](O)c2nnc(Nc3cccc(Oc4ccccc4)c3)s2)cc1 82078066 QKKFJDXVKWWHDW-HXUWFJFHSA-N 405.479 5.164 0 1 HKAF CC(C)(C)C(=O)Nc1nc(Nc2cccc(F)c2)c2c(n1)[nH]c1cccc(Cl)c12 95591690 PEJVLEHFOXMTEA-UHFFFAOYSA-N 411.868 5.632 0 1 HKAF O=C(N[C@H]1CCC[C@H]1c1ccccc1)C1CCN(c2nc3cc(Cl)ccc3o2)CC1 95598312 VDADWYKVUHMQAE-PMACEKPBSA-N 423.944 5.150 0 1 HKAF O=c1[nH]cnc2c1[C@@H](c1c(-c3ccccc3)[nH]c3ccccc13)C=C(c1ccccc1)O2 95605613 WHTNAYVSJDLPEL-HXUWFJFHSA-N 417.468 5.484 0 1 HKAF CC1(C)CCCCCCCCC[C@@](C)(CCCCCCCCCCCCO)C1=O 102943428 DDVIVCCZIQBRGI-HHHXNRCGSA-N 408.711 8.396 0 1 HKAF CC(C)C[C@H](C)[C@H](C)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137692793 JQULJCPOAMRTHP-SSEVAGLDSA-N 414.718 7.881 0 1 HKAF N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4ccccc4)n3)c(Cl)cn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c1cccc(-c2cc(-c3ccccc3)nc(NC[C@H]3CC[C@H](C(=O)O)CC3)n2)c1 299828733 TTXACZHMKNDGLB-KESTWPANSA-N 401.510 5.422 0 1 HKAF CC[C@H]1CC[C@H](c2ccc(NC(=S)Nc3cccc(C(F)(F)F)c3)cc2)CC1 473249037 RZKWPPZBHVAIQC-WKILWMFISA-N 406.517 7.198 0 1 HKAF CCc1ccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1Br 586976983 JHBHOHWNXYICHC-UHFFFAOYSA-N 403.629 6.227 0 1 HKAF CC1=CCCC(C)(C)[C@H]1/C=C(/C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991135 JNVPPJMQIDZEQM-JIHAQRTOSA-N 409.529 6.938 0 1 HKAF FC(F)(F)c1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1Cl 587016951 FRIMSVYKAILCNO-UHFFFAOYSA-N 421.831 5.961 0 1 HKAF Cc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1F 587070551 HRUNHBDEWPKUPQ-MRXNPFEDSA-N 403.885 5.472 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC[C@@]1(CCc3ccccc31)C4)-c1ccccc1C2=O 587102137 YQLYKFLLUHELCV-LJAQVGFWSA-N 401.509 6.128 0 1 HKAF Cc1cc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c2cc1F 587122129 RFZJZQSPXSPCAL-UHFFFAOYSA-N 407.392 6.008 0 1 HKAF COc1ccc(C(=O)c2ccccc2-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1F 587144192 IZYAJHBMXHKIMS-UHFFFAOYSA-N 415.251 5.915 0 1 HKAF COc1cc2nc(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3F)[nH]c2cc1OC 587145433 WKQGXDKJTUJPRJ-UHFFFAOYSA-N 406.413 5.060 0 1 HKAF C[C@@H]1CCCC[C@@H]1N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587342319 DHHKBZQJFGHPDD-UWSIMGETSA-N 423.528 5.304 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]3c2cccc(Cl)c2)c1 587358097 OVEMHBDWNLPSCE-FQEVSTJZSA-N 411.888 6.998 0 1 HKAF COc1cccc(-c2c(C3CCCCC3)c(C(=O)O)nc3c2oc2ccccc23)c1 587365077 DQGCJQGFEDTJBL-UHFFFAOYSA-N 401.462 6.403 0 1 HKAF COc1cccc(-c2cc(-c3sc4ccccc4c3C)nc3c2oc2ccccc23)c1 587366114 JVEADTBVLBZAOV-UHFFFAOYSA-N 421.521 7.847 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]31C)O2 587405171 UWRQKSQOEQGLQD-ZEBCIXIMSA-N 417.549 5.543 0 1 HKAF CCCC[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422054 NHVGMPLDWTZYQT-UTKZUKDTSA-N 406.400 5.427 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1OCc1ccc(C)cc1)[C@@H](C2)C3=O 587441729 HCQDNFCLVFVXGJ-CPJSRVTESA-N 416.473 5.080 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Br)cc1Cl)CC2=O 587457268 GGNFAERXUHHYCV-IBGZPJMESA-N 409.707 5.641 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ccc(Cl)c1Cl 587543481 KOMQJIBMHAXTNX-JXFKEZNVSA-N 421.663 6.055 0 1 HKAF Cc1ccc(C2(c3ccc(C)o3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587617949 RRZBEUTYCRGAAZ-NRFANRHFSA-N 402.402 5.100 0 1 HKAF Cc1cccc(Cl)c1NC(=O)c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 587621758 IRVVMABRQILDBX-UHFFFAOYSA-N 417.694 5.329 0 1 HKAF Cc1ccc(O)c(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)c2ccc(Cl)cc2)c1 587623872 AVRCYJNEQZIRLD-UHFFFAOYSA-N 410.300 6.695 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OC(F)(F)F)ccc2F)N1 587720292 MJVOKINIHLVBAJ-VPTHRUTESA-N 422.191 5.250 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(OC3CCC3)c2)N1 587722394 YQVJSEXTIXAPJC-BIBXISHDSA-N 408.286 5.282 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Br)c2F)N1 587726519 JPBZPNZWPIGSGT-PWJLMRLQSA-N 417.091 5.113 0 1 HKAF CC(C)CCC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587812841 LFWPMSTZFASIJZ-ZHRRBRCNSA-N 404.367 6.192 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccccc2)(c2ccccc2)N1 587815643 OALXYRPSMHHNQA-ASBDZLRASA-N 422.341 6.079 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H]2CCc2ccccc2)N1 587818876 GDTUIVJHGRUHRC-QRFQSNJMSA-N 402.351 5.751 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccccc3)cs2)N1 587853240 LRCLQPGPLZUSPW-ADLMAVQZSA-N 403.320 5.335 0 1 HKAF CCCCCc1ccc([C@]2(C(F)(F)F)c3cc(OC)ccc3CCN2C(C)C)cc1 962086945 DVSNSTACVHRQAN-XMMPIXPASA-N 419.531 6.500 0 1 HKAF Cc1c(F)ccc2c1[C@](c1ccccc1)(c1cnc(-c3ccccc3)s1)NCC2 962376799 QQCPOBLYHBBZKO-VWLOTQADSA-N 400.522 5.695 0 1 HKAF CCCc1ccc([C@@]2(CC)c3cc(OC)ccc3CCN2Cc2ccc(F)cc2)cc1 963304204 SJWDXIDCFNFUHY-NDEPHWFRSA-N 417.568 6.499 0 1 HKAF COc1ccc(-c2cc(Cl)cc([C@@H](CC(=O)O)c3ncc(C)s3)c2)c(OC)c1 1772638889 FNGPNGHMNYTAAV-GOSISDBHSA-N 417.914 5.396 0 1 HKAF C[C@@H]1C[C@H]1C(=O)Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)[nH]nc3c2)c1 1772653281 RCMDUVONVDJPAY-BPOCNNFQSA-N 409.489 6.120 0 1 HKAF O=C(/C=C/c1ccc(F)cc1)Nc1cc(Nc2ccc(Cl)cc2Cl)ncn1 1857653319 BXUVPCIFPZRCSS-FPYGCLRLSA-N 403.244 5.318 0 1 HKAF CC1=CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@H]1C 2356610876 ATTZDMRZTNQQNJ-JMWCZYFCSA-N 424.713 7.945 0 1 HKAF O=C(O)COc1cccc(CCc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 1555107 IULRSOQGCBWJFQ-UHFFFAOYSA-N 415.514 5.726 0 1 HKAF CC(C)(C)c1noc(-c2ccc(-c3ccccc3)cc2)c1C(=O)NCC1CCCCC1 2483308 TYKZPPMDQDKZKB-UHFFFAOYSA-N 416.565 6.616 0 1 HKAF CCN(CCCCCCC(=O)c1ccc(OC)c(OC)c1)Cc1ccccc1OC 3785303 LBJJMNMZFVILMW-UHFFFAOYSA-N 413.558 5.368 0 1 HKAF CC(C)=CCc1c2c(cc3c1O[C@H](c1ccc(O)cc1O)CC3=O)C=CC(C)(C)O2 13339838 LXNLNOQFXKTBRA-QFIPXVFZSA-N 406.478 5.497 0 1 HKAF biogenic,in-vitro CC(C)(CC(=O)O)Cc1nc2cc(F)ccc2n1Cc1ccc(Cl)c(Cl)c1 13826773 ZURSNWKXHFEFSL-UHFFFAOYSA-N 409.288 5.574 0 1 HKAF CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1 13833566 GJBPPMVTBDRYFK-UHFFFAOYSA-N 404.510 5.296 0 1 HKAF Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1ccccc1C(F)(F)F 26389905 VISHRDRGRRFTDT-UHFFFAOYSA-N 414.214 5.759 0 1 HKAF C[C@@H](NC(=O)C1(C(F)(F)F)CC(C)(Cl)C1)c1ccc(Oc2ccccc2)cc1 26501767 BDFXEQUXPBUFOF-WPUWVODUSA-N 411.851 5.996 0 1 HKAF CC(C)(C)c1ccc(Nc2nnc(-c3cccc4ncccc34)c3ccccc23)cc1 28571036 SWVAVIJKHJQFOV-UHFFFAOYSA-N 404.517 6.886 0 1 HKAF O=C1N(CCCCCCOc2ccc(-c3cccs3)cc2)CCN1c1ccncc1 29391855 FKBXFAMZNPQGBH-UHFFFAOYSA-N 421.566 5.692 0 1 HKAF C=C1C[C@@H](O)[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C 33820665 JPHQTWWCNKGWOA-AHPVHTJCSA-N 400.647 6.590 0 1 HKAF C[C@H](CCC(=O)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C 39181275 UHUQYBLLHSGESB-DDUCLJMYSA-N 414.630 6.662 0 1 HKAF CCc1ccccc1[C@H](Nc1ccc(Cl)cc1Cl)C(=O)CCc1ccncc1 52595166 OJWXKYOAQVCOLF-QHCPKHFHSA-N 413.348 6.306 0 1 HKAF CC(C)(C)c1cccc(C(=O)Nc2cccc(Oc3ccnc4ncc(O)nc34)c2)c1 58541093 GVUWTVHHNXJVEM-UHFFFAOYSA-N 414.465 5.073 0 1 HKAF O=C(NCc1ccccc1-c1ccccc1)[C@H]1CCCN(CCCc2ccccc2)C1 73197132 WOUXZHGLRQTXSF-SANMLTNESA-N 412.577 5.315 0 1 HKAF Cc1nc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccccc2F)oc1C 82175436 BJJDRRZSXUGPNR-UHFFFAOYSA-N 408.864 5.820 0 1 HKAF CCC(CC)c1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1C[C@H]1CCCO1 82188797 ZVRRCRGHGBUQKV-FXAWDEMLSA-N 407.562 5.125 0 1 HKAF Oc1ccc(-c2noc(-c3ccc(O)cc3)c2/C=C/c2ccc(C(F)(F)F)cc2)cc1 84687520 SCQUZJLQSQPAQQ-LZWSPWQCSA-N 423.390 6.609 0 1 HKAF C[C@](O)(CCCCCCCC/C=C/C=C/c1ccccc1)C[C@]1(C)OC(=O)C[C@@H]1O 96086026 BBUUFCRHKRIKHW-NZGJWSFPSA-N 414.586 5.584 0 1 HKAF in-vitro CC(C)CC[C@@H]1CCCCCCc2c1oc(O)c([C@H](c1ccccc1)C1CC1)c2=O 100712810 NTGVRTZESMZGOJ-JTHBVZDNSA-N 408.582 6.914 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2cccc(Cl)c2)cc1)C3 100951034 FNNDPKKFONPQIL-DGEGWHRNSA-N 421.968 5.684 0 1 HKAF Cc1noc(C)c1-c1sc(N)c(C(=O)c2ccc(Cl)cc2)c1CC(C)(C)C 103228523 QPSZABCSPFJRMV-UHFFFAOYSA-N 402.947 6.075 0 1 HKAF CCCCCSc1nc2n(n1)[C@@H](c1ccc(F)cc1)/C(=C(/O)OCC)C(C)=N2 104116144 DROGGNAOTJCGON-HMNTXPNISA-N 404.511 5.201 0 1 HKAF CC[C@@H](Nc1ccc(C)c(CN2CC[C@@H](C(=O)O)C2)c1C)c1ccc(Cl)c(C)c1 118392629 NYZGJMYTLPWXPH-DENIHFKCSA-N 414.977 5.735 0 1 HKAF Cc1c(OCCCCOc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)C)c1C 169351407 QHZQNSHMYFWDMU-UHFFFAOYSA-N 416.489 5.608 0 1 HKAF COc1cc2c(Cc3ccc4nc(C)ccc4c3)cnc(CC(C)C)c2cc1OC 205644347 DEEBNEIZPGOWCI-UHFFFAOYSA-N 400.522 5.898 0 1 HKAF CCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC(=O)OC(CO)CO 238780734 UVLMLZSAFTZAMD-DMGWNJAXSA-N 402.575 5.361 0 1 HKAF CC(C)=CCC[C@@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC[C@@]12C 255269548 SZLHPSKURYFPPQ-NPZUVFICSA-N 410.730 9.364 0 1 HKAF Cc1ccc([C@@H](C)[C@H](O)c2nc3c(Br)ccc(Br)c3[nH]2)cc1 586889243 LYQOTORBXPWMTH-HWPZZCPQSA-N 424.136 5.233 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4c(Br)cc(C(F)(F)F)cc4[nH]3)cc2)o1 586903204 MVPLKBZMAZLKCK-UHFFFAOYSA-N 421.216 6.580 0 1 HKAF CCc1ccc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c2c1 586920059 KYEURNUJDSYSHV-UHFFFAOYSA-N 415.005 5.411 0 1 HKAF CCCCCCc1nc2ccc(O)c3c2c(c1CCCCC)-c1ccccc1C3=O 586992775 ZNMCPHAQDWQACK-UHFFFAOYSA-N 401.550 7.007 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 586995199 GDGNBVMUEKILJT-UHFFFAOYSA-N 420.310 5.211 0 1 HKAF Cc1c(Cl)ccc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c12 587021067 IPQKFMRVCZJMFW-UHFFFAOYSA-N 417.925 6.454 0 1 HKAF COc1ccc(C)cc1-c1nc2c(C)ccc3c2c(c1CC(=O)O)-c1ccccc1C3=O 587096291 BZBCLWUNYBQZDD-UHFFFAOYSA-N 423.468 5.366 0 1 HKAF FC(F)(F)c1ccc2ncc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)cc2c1 587111894 IMFWATFFKHDIMB-UHFFFAOYSA-N 415.724 6.469 0 1 HKAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cccc(C(F)(F)F)c2[nH]1 587122731 WYCLHRFQYPZNCB-UHFFFAOYSA-N 411.305 6.004 0 1 HKAF Fc1ccc(F)c(SCc2cccc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c2)c1 587141266 OWNKIIGQBUALEL-UHFFFAOYSA-N 422.287 6.502 0 1 HKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 587160776 GRARBABRSINZFX-RYUDHWBXSA-N 415.184 5.634 0 1 HKAF O=C(/C=C/c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)Nc1ccc(F)cc1 587166371 BLYKMQGYVREBCD-VAWYXSNFSA-N 414.465 5.631 0 1 HKAF C[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325955 ILHGHAAGPAUGKA-IRLDBZIGSA-N 417.263 6.112 0 1 HKAF COC(=O)c1cc(-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C)c[nH]1 587362100 DVJXCCGVMWMRLC-UHFFFAOYSA-N 412.445 5.747 0 1 HKAF CCc1c([C@@H]2CCOC(C)(C)C2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587366189 MOSQQWRKNKZCGG-GOSISDBHSA-N 415.533 6.892 0 1 HKAF COc1ccc2c(c1)OC(C)=C(c1ccccc1)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587410549 XVHIILLMTUILEB-AREMUKBSSA-N 413.473 5.270 0 1 HKAF CCC[C@H]1CC[C@H](CCC2CCC3(CC2)Oc2cc(OC)cc4c2C(=O)[C@H]3C4)CC1 587446844 GRRONLONCUZTNZ-HLOBCVHMSA-N 410.598 6.758 0 1 HKAF CC(C)Oc1c(Cl)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587496195 BXCNFRUWCVCQMK-FQEVSTJZSA-N 405.321 6.366 0 1 HKAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN(C(C)C)C(C)C 587501025 AVAURVWDRUMESS-AREMUKBSSA-N 421.581 5.899 0 1 HKAF O=C1C[C@@H](c2ccc(OCCn3ccnc3)c(Cl)c2)Oc2c1ccc1c2CCCC1 587508529 RXYVASUYBJKGKW-QHCPKHFHSA-N 422.912 5.201 0 1 HKAF CCc1ccc2[nH]c(C(C)(C)C)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587523984 JFJRENCLQBBDND-HSZRJFAPSA-N 401.550 6.613 0 1 HKAF Cc1ccc(OCC2CC2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587591371 GPXFHKNHTGPGEY-DHLKQENFSA-N 402.446 5.192 0 1 HKAF O=C(c1ccccc1)c1c(C(F)(F)Br)[nH]c2cc(Cl)c(F)cc12 587628506 MUTJKYKRDYKYND-UHFFFAOYSA-N 402.597 5.636 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ncc3ccccc23)N1 587703331 GTUQTRGTTXNIMH-MGNBDDOMSA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ccnc(Cl)c3c2)N1 587704671 KNCCYHXAHVEDBF-MLCYQJTMSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C(F)(F)F)c2Cl)N1 587712859 RBCNVAUVQQOKHD-ZKANADHPSA-N 422.647 5.884 0 1 HKAF CCc1nc2cccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2o1 587776208 BXAWZTYYGDFBGL-GIPWTMENSA-N 403.295 5.090 0 1 HKAF Cc1nccc2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc12 587784924 WEBCWXOSRBMBOH-UHFFFAOYSA-N 405.501 6.103 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C2CCCCC2)N1 587820552 PYGJSWJUTAAOHX-NYHFZMIOSA-N 402.351 5.946 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CC[C@H]2Cc2ccccc2C1 587832682 ZWPVBRFNRUKNMN-KKXDTOCCSA-N 400.335 5.143 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc(C=O)sc3s2)N1 587858766 UEKDDUBUFJPKOZ-VPTHRUTESA-N 410.333 5.301 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nnc(Cl)c2ccccc12 587861723 XQTSMCQVFZHXKX-UHFFFAOYSA-N 404.779 5.163 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1cc(Cl)ccc1Cl 587869834 SRENVFCXZUNGFC-UHFFFAOYSA-N 409.244 5.114 0 1 HKAF COc1ccc(C2(c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC3(CCC3)C2)cc1 587935498 MMALDTWWVRCXPG-UHFFFAOYSA-N 402.416 5.720 0 1 HKAF CCCOc1cc2nc([C@H](CC)O[C@H]3CCC[C@H](C)C3)[nH]c2cc1Br 587951755 ZYABQSNRFCCFPR-DEYYWGMASA-N 409.368 6.161 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c(O)ncnc2[nH]1 587958391 FWVAMDDVVBEYFX-WWMAXSSBSA-N 420.601 6.913 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2ccccc2F)([C@H]2CC[C@H](C(=O)O)CC2)N1 962944821 FRTKZCFKWIIUMD-INMKFMJYSA-N 420.528 5.366 0 1 HKAF C[C@]1(c2cccc(-c3ccc(C(=O)O)c(F)c3)c2)c2c(F)cccc2C[C@H]2CCCN21 963098473 HAFCOZIOTVRVPM-IBVKSMDESA-N 419.471 5.614 0 1 HKAF C[C@H]1c2ccccc2N(Cc2cccc(F)c2)C[C@@H](C)N1C(=O)Nc1cccnc1 1772585202 JDKWHGGZYBTDNT-MSOLQXFVSA-N 404.489 5.225 0 1 HKAF CC[C@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)cc(C)c12 1772609064 JUGWLNNHENCSBY-AWEZNQCLSA-N 416.522 5.357 0 1 HKAF CC(C)=CCc1cc(/C=C/C(=O)O)ccc1OC(=O)Cc1cccc2ccccc12 1857568834 PQDDLPYXRPBFHH-NTCAYCPXSA-N 400.474 5.594 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356560406 YOKYCJJGBUSVGT-MDOKLXFCSA-N 412.658 6.712 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356598482 RGTQAAUWMDYDPJ-MQWMRVPNSA-N 412.702 7.657 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)C[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 2356630434 PQYKVCXXAVOWQO-KUXRSNICSA-N 402.663 6.360 0 1 HKAF CC(=CCCC1=CC[C@H]([C@H]2COC(=O)C2)O[C@@H]1O)CCC1=C(C)CCCC1(C)C 2356630703 AIPOJIGVVVFLQI-BKULYWANSA-N 402.575 5.617 0 1 HKAF CC(=CCCC1=CC(=O)O[C@H]1O)CC=C[C@@](C)(O)CCC1=C(C)CCCC1(C)C 2356658117 GSUNQYAOGZKXEY-ILBGXUMGSA-N 402.575 5.519 0 1 HKAF COC(=O)[C@H](CC=C(C)CCC=C(C)CCC=C(C)C)C(=O)c1ccc(O)cc1O 2356683737 CSTWZZSTTQKZMS-JOCHJYFZSA-N 414.542 5.879 0 1 HKAF Cc1ccc(S(=O)(=O)N2C=C(c3ccccc3)c3ccccc3-c3ccccc32)cc1 205715966 CVNUQLCSQKQBRR-UHFFFAOYSA-N 423.537 6.260 0 3 HKAF FC(F)(F)Oc1ccc(Nc2cc(-c3ccncc3)nc(-c3cccnc3)n2)cc1 1498421 MQZWDTNFCPABMH-UHFFFAOYSA-N 409.371 5.243 0 1 HKAF CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCc1ccc(F)cc1 4214451 QZKUPLNQEUMMEB-LEWJYISDSA-N 402.535 5.260 0 1 HKAF COc1cc(OC)c2c(c1-c1c(C)cc(O)c3c(OC)cccc13)C[C@@H](C)N[C@H]2C 13359233 WPLXJOWQGIILET-CABCVRRESA-N 407.510 5.142 0 1 HKAF biogenic Cc1ccc(NC(=O)c2sc3ccccc3c2C)c(C(=O)Nc2ccc(F)cc2)c1 13487505 VUZQMQLOGAJZPS-UHFFFAOYSA-N 418.493 6.162 0 1 HKAF CCCCCCC(=O)CCCCCCCCCCCCCCCCCCCCCO 14494445 PTZHJVIKISISFU-UHFFFAOYSA-N 424.754 9.320 0 1 HKAF endogenous,in-man CC/C(Cc1ccccc1)=C(\c1ccccc1)c1ccc(OCN2CCCCC2)cc1 26023781 MAKGPRUNKOZNRQ-GNVQSUKOSA-N 411.589 6.963 0 1 HKAF CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@H](O)c1cc(-c2ccccc2)nc2ccc(OC)cc12 26579175 VDHJBPQFAPAQBH-UZIKMYSZSA-N 402.538 5.064 0 1 HKAF C[C@H]1C[C@@H](N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 27098748 VGFZCFWVSYIXEK-UQBPGWFLSA-N 410.517 5.610 0 1 HKAF COc1ccc(CNc2cc(C(F)(F)F)c3cc4c(cc3n2)NC(C)(C)CC4)cc1 27405829 XTZSOANPEICZQS-UHFFFAOYSA-N 415.459 6.011 0 1 HKAF COc1ccc(SC2=C3CC[C@@H]4[C@H](CC[C@]5(C)C(=O)CC[C@H]45)[C@@]3(C)CCC2=O)cc1 27657276 NDBWGWXGXUQIEU-SIBACELJSA-N 424.606 6.216 0 1 HKAF CC(C)(Cc1ccccc1)[C@H]1OC[C@H](C/C=C\CCC(=O)O)[C@@H](c2cccnc2)O1 27759397 XYUJBPXTBCBGMX-GMUHIMOCSA-N 409.526 5.192 0 1 HKAF Fc1ccc([C@@H]2C[C@H](N3CCN(CCc4ccccc4)CC3)c3cc(F)ccc32)cc1 28017341 YXRUWBIIYKNYPG-BDYUSTAISA-N 418.531 5.402 0 1 HKAF Clc1ccc(Nc2nnc(-c3cccc4cnccc34)c3ccccc23)cc1Cl 28571316 HQBJZNMKRRABTK-UHFFFAOYSA-N 417.299 6.895 0 1 HKAF CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(C(F)(F)F)cc1 28757799 FRELOMRLGKWDDB-UHFFFAOYSA-N 407.520 7.239 0 1 HKAF NCCCCCN(C/C=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 28825921 VBCZGNUFSTWKJO-RAXLEYEMSA-N 403.570 5.162 0 1 HKAF CC(C)CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O 33820169 GCUBDUZUXAQLEY-UHFFFAOYSA-N 424.754 10.089 0 1 HKAF biogenic,in-vitro CCN(CC)CCN(C(=O)c1ccc(-n2ccnc2)cc1)c1cccc2ccccc12 34338929 IRZFVAKMHWTFHI-UHFFFAOYSA-N 412.537 5.014 0 1 HKAF CCCCS(=O)(=O)Nc1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1 40505340 SJGSQCDYDSOGLB-UHFFFAOYSA-N 420.534 5.509 0 1 HKAF CCN(CC)CCCNc1nc2c(Nc3ccccc3)c3ccccc3nc2s1 40880413 YIYZSCCJHJGIEU-UHFFFAOYSA-N 405.571 5.732 0 1 HKAF Cc1cc(NCC(c2ccccc2)c2ccccc2)nc(NCC2CCCCC2)n1 45188755 MZOPMCWBHRUXKD-UHFFFAOYSA-N 400.570 6.021 0 1 HKAF O=C(O)Cc1sc([C@H](c2ccccc2)c2ccccn2)nc1-c1ccc(Cl)cc1 45355248 FTDOLMWQXVZKCL-OAQYLSRUSA-N 420.921 5.666 0 1 HKAF Cc1cccc(C)c1OCCCCCCCCCCN1C(=O)c2ccccc2C1=O 58569431 SLKRYBAQGBNEMM-UHFFFAOYSA-N 407.554 6.099 0 1 HKAF CCCCc1ccc(CN[C@H]2CCCC[C@H]2NCc2ccc(CCCC)cc2)cc1 66078792 BZHSIVUDMWXDPH-HNRBIFIRSA-N 406.658 6.562 0 1 HKAF C/C=C(\C)C(=O)OCCc1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O 66101811 FOAPGXPVQLWNRA-QLKAYGNNSA-N 416.304 5.554 0 1 HKAF CCCC[C@@H](CC)CNc1nc(NCCC(C)(C)C)c2cc(OC)c(OC)cc2n1 82129418 AUPBPORFNYSDHE-QGZVFWFLSA-N 416.610 6.123 0 1 HKAF COc1ccc(-c2oc3ccc(OCc4cccc(Cl)c4)cc3c2C(=O)O)cc1 84670163 CJXNNWSEELKESP-UHFFFAOYSA-N 408.837 6.039 0 1 HKAF CN(C)[C@H]1CC=C(/C=C2/CC[C@@]3(C)[C@@H](CC[C@@H]3c3ccc4ccncc4c3)C2)CC1 95559685 LSEOCERNOHMMFT-XWHVDARLSA-N 400.610 6.886 0 1 HKAF CC/C(=C(/c1ccc(O)cc1)c1ccc(NC(=O)C(C)C)cc1)c1ccc(O)cc1 96907503 RULMQUWMVXMMMF-IZHYLOQSSA-N 401.506 6.061 0 1 HKAF COc1cc(Nc2nc3cccc(-c4cccc5nc[nH]c45)c3o2)cc(OC)c1OC 98208217 ZWUCWBYYVLQXEP-UHFFFAOYSA-N 416.437 5.141 0 1 HKAF in-vitro CC1=C2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@]2(C)CC[C@H]1C 100823682 LGVXVLHBYPSFGC-UMNQJWCWSA-N 424.713 8.089 0 1 HKAF endogenous,in-man C[C@H](CO)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137924896 DUZMPSZAXXOQBT-OUKCADHHSA-N 416.690 6.607 0 1 HKAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3[C@H](O[C@H]3CCCCO3)C[C@]12C 141358850 AHLGQKIONPHOLG-PCTKTLNFSA-N 416.602 5.325 0 1 HKAF Cc1c[nH]c(=O)cc1NC(=O)c1ccc(C(F)(F)F)cc1Oc1ccc(F)cc1C 143161929 CCCHJFNYZTUPLI-UHFFFAOYSA-N 420.362 5.194 0 1 HKAF CC(C)N(C(=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@]21C)C(C)C 169323621 DXSCVNXGNJVZAB-UQZJKOMJSA-N 412.618 5.013 0 1 HKAF CC1(C)CCC(C)(C)c2cc([C@H](Cc3ccc(C(=O)O)cc3)[Si](C)(C)C)ccc21 195371537 UCWAYRMSOWMJRG-QHCPKHFHSA-N 408.658 6.938 0 1 HKAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(F)cc(F)c4[nH]3)c(=O)oc2c1C 586918148 KXIPCJXRJVLKDF-UHFFFAOYSA-N 424.447 5.500 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc2c(cc1OCC3)CCCC2 586992884 ZUUOBWICHBIZLC-UHFFFAOYSA-N 419.480 5.633 0 1 HKAF COc1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cc1Cl 587038726 BJHCNGCYDHRGGG-UHFFFAOYSA-N 407.926 6.070 0 1 HKAF CCCOc1cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2cc1Br 587087231 JOGVYIBJSHGSPF-UHFFFAOYSA-N 404.695 5.916 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c(Cl)ncnc2[nH]1 587088173 UEWHMJGALIAAKW-VOTSOKGWSA-N 419.703 5.037 0 1 HKAF Cc1cc(Cl)cc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c12 587114588 VKDGVAHACQEXPA-UHFFFAOYSA-N 413.852 5.415 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c(F)c1 587144234 GHCSEICXXHIQEX-UHFFFAOYSA-N 416.239 5.744 0 1 HKAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2ccc(F)c(Br)c2[nH]1 587148784 HFRQSCNQQALSPE-GOSISDBHSA-N 414.253 5.805 0 1 HKAF CCCCCOc1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2cc1Br 587161588 OPEGLUMWFWYLMM-CVEARBPZSA-N 417.322 6.305 0 1 HKAF Cc1nc2cccc3c2c(c1Cc1ccc(OCc2cccc(C(=O)O)c2)cc1)CC3 587214567 SFKKIIAPPKWJSS-UHFFFAOYSA-N 409.485 5.510 0 1 HKAF COc1ccc2c(c1Cl)CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327241 GBMPRWDMYUHHFW-QPPBQGQZSA-N 424.855 5.394 0 1 HKAF CCc1ccc2cc(-c3ccc(C)c(C)c3)c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)n2c1 587394063 QAXHUJYQHQNVRK-AREMUKBSSA-N 424.544 6.383 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccc(-c3ccccc3)c1)O2 587405631 MPYWPPRDYWHCRY-NDEPHWFRSA-N 405.497 6.153 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OC/C=C/c1ccccc1)CC2=O 587477059 DPTBCOPEYIDORH-XVMYRHOCSA-N 414.501 6.143 0 1 HKAF O=C1C[C@@]2(CCc3c(Br)cc(Cl)cc32)Oc2c1ccc1c2CCCC1 587497082 JVERVHICPZDTKC-OAQYLSRUSA-N 417.730 5.788 0 1 HKAF C[C@]1(c2ncc(Br)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587497784 MMTJXDORFLHVCF-LJQANCHMSA-N 406.707 5.257 0 1 HKAF O=C1C[C@H](c2cccc(S(=O)(=O)CC3CCCC3)c2)Oc2c1ccc1c2CCCC1 587532083 MQSSDESDUSHNFM-XMMPIXPASA-N 424.562 5.236 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cccc1N1CCCC1 587547932 VJVQUJZHECOMST-QPPBQGQZSA-N 421.880 5.349 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc(C(F)(F)F)c1 587551215 YLIKVROIQBJZIF-YLJYHZDGSA-N 404.315 5.253 0 1 HKAF O=C(O)c1ccccc1-c1[nH]c2ccc(F)c(Cl)c2c1-c1ccc(Cl)cc1 587628439 KVVKXOXTXRONCL-UHFFFAOYSA-N 400.236 6.646 0 1 HKAF O=C(O)[C@H](c1cccc(Cl)c1)c1c(-c2ccc(Cl)cc2)[nH]c2cc(F)ccc12 587632458 CLXDTMGHDLYWHN-LJQANCHMSA-N 414.263 6.497 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(Cl)c(Cl)c2)N1 587693206 IYBLBVZMKVPTJQ-MGNBDDOMSA-N 417.149 5.887 0 1 HKAF CCCCC[C@@]1(c2ccc(N)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587748831 YUMPFTKTOWITQB-QKKBWIMNSA-N 405.355 5.529 0 1 HKAF CCn1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587760612 ZHPNUHKXQQMQDA-YEJXKQKISA-N 401.323 5.361 0 1 HKAF Cc1cc(C)c2nc(O)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587777473 IEHGTXQOBYETHF-FKIZINRSSA-N 415.306 5.082 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3ccccc3)c2)N1 587814890 JCNWRKOLMHCTNT-NPMXOYFQSA-N 410.330 6.053 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc3ccccc3o2)(C(C)(C)C)N1 587831769 YFLQWBOEFUWHOC-XMHCIUCPSA-N 416.334 6.158 0 1 HKAF CCCCCCc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587846046 GKBVRBFPQOBWQH-RBZFPXEDSA-N 410.396 6.396 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2cccs2)N1 587852411 KWABQXUTZJVKPQ-ODXCJYRJSA-N 402.332 5.940 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccsc3)cc2)N1 587852416 GLJULAFRSKWBPE-YUNKPMOVSA-N 402.332 5.940 0 1 HKAF Cc1nc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cs1 587856248 XBDPPAQXMXQFRF-NIVTXAMTSA-N 423.376 5.705 0 1 HKAF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3ccc(F)c(F)c3)cs2)cc1 587921998 FUAVHNSGWSBVCB-UHFFFAOYSA-N 402.466 6.026 0 1 HKAF CC[C@@]1(Cc2nc3cc(F)cc(Br)c3[nH]2)CC(=O)c2ccccc2C1 587961680 SQTIHLFINYTZQT-FQEVSTJZSA-N 401.279 5.233 0 1 HKAF CCc1ccc([C@]2(c3ccnc(C)c3)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1 962622276 BKUOSYIJKCCIJD-WINIVTDRSA-N 416.565 5.138 0 1 HKAF Cc1cc(Br)cc(F)c1[C@@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962718061 RJNXUQQJMAVCDQ-XOBRGWDASA-N 424.354 5.489 0 1 HKAF O=C(O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963105221 IZTFEGVIDXQJQV-JYFHCDHNSA-N 401.481 5.036 0 1 HKAF CC(C)(C)OC(=O)Nc1nc(Cl)c([C@@H]2c3c(F)cccc3C[C@H]3CCCN23)s1 963106153 QVKFXRMKGQCWNP-DOMZBBRYSA-N 423.941 5.393 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCc1cccc(Br)c1)C1CC1 963236120 XLOVDXNLOHMZDG-KOSHJBKYSA-N 412.415 6.344 0 1 HKAF CCCC/C=C/c1cc(Cn2nc(C(=O)O)cc2C)n2nc(-c3ccccc3)cc2c1 1772578346 IRCMRZBRVZLJJE-JXMROGBWSA-N 414.509 5.456 0 1 HKAF O=C1[C@@H]2C=CC=C[C@@H]2[C@H](c2ccc(Oc3ccccc3)cc2)N1c1ccc2nc[nH]c2c1 1772608289 CHKREEOQSZISDH-ZEVJAHDQSA-N 419.484 5.802 0 1 HKAF O=S(=O)(c1ccc(Oc2cc(F)cc(Cl)c2)c(Br)c1)C(F)F 1857634848 WITZLNUQRNWZDI-UHFFFAOYSA-N 415.614 5.030 0 1 HKAF CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1OCc1ccc(Cl)c(Cl)c1 1857654227 SOALANMPWXMLRA-MFOYZWKCSA-N 424.305 5.295 0 1 HKAF Brc1ccccc1[C@H]1CC(c2c[nH]c3ccccc23)=NN1c1ccccc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c1cccs1)Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1 1483758 XTOWMFGOCVBOQW-UHFFFAOYSA-N 400.459 5.090 0 1 HKAF O=C(O)Cn1cc(Cc2nc3cc(C(F)(F)F)ccc3s2)c2cc(Cl)ccc21 11536150 VMWNCFKCEYKJMC-UHFFFAOYSA-N 424.831 5.599 0 1 HKAF COc1ccc(CNc2cc(-c3[nH]c(SC)nc3-c3ccc(F)cc3)ccn2)cc1 13524448 BMLURWVFPXQDFS-UHFFFAOYSA-N 420.513 5.620 0 1 HKAF CSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1C1CC(C)(C)NC(C)(C)C1 13524524 YNBVKQXDDAWGKI-UHFFFAOYSA-N 424.589 5.955 0 1 HKAF C[C@H]1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(F)cc2Cl)CC1 13860178 DTUDHTHALDQUOS-INIZCTEOSA-N 400.925 5.059 0 1 HKAF COc1ccc(Br)cc1CCc1c(F)cccc1-c1ncc2n1CCC2 27202794 QMFMUTNLPNHCJI-UHFFFAOYSA-N 415.306 5.192 0 1 HKAF CC(C)=CCc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F 28711193 HTNORHQKPAPPTI-UHFFFAOYSA-N 424.441 6.817 0 1 HKAF C[C@H]1CN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)C[C@H](C)O1 28821650 VSXXARZLBDXALT-HOTGVXAUSA-N 422.516 5.807 0 1 HKAF O=C(O)[C@@H](Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)c1ccccc1 40834316 BMSBANOPNWYIHR-IBGZPJMESA-N 422.897 5.340 0 1 HKAF CC(C)CN(Cc1ccccc1Cl)c1ccc(C(=O)NCc2cccnc2)cc1 72107933 HXUBIQPMDGYSBX-UHFFFAOYSA-N 407.945 5.328 0 1 HKAF C[C@H]1[C@@H](NC(=O)c2cnc(NC3CCCC3)nc2-c2ccccc2)C[C@H]2C[C@@H]1C2(C)C 82132391 HHOPQPSEJDNQBU-IIPCHUTBSA-N 418.585 5.299 0 1 HKAF Cc1cc(C)c(-n2c(SCC(=O)Nc3ccccc3F)nc3cccnc32)c(C)c1 84739769 SWGKLVJIFVASGD-UHFFFAOYSA-N 420.513 5.216 0 1 HKAF CCC[n+]1ccc2c3ccc(OCc4ccccc4)cc3n(Cc3ccccc3)c2c1C 95554646 HBDFZVPEYHNTQJ-UHFFFAOYSA-N 421.564 6.428 0 1 HKAF O=C(CCCc1ccc2cccnc2n1)NCc1ccc(-c2cccc(Cl)c2)cc1 95572365 WQQRCIURTFHROP-UHFFFAOYSA-N 415.924 5.589 0 1 HKAF CC[C@@H](C)Sc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(OC)cc1 100703583 AFCYUUBDVZHPMC-SJKOYZFVSA-N 411.527 5.295 0 1 HKAF COc1ccc([C@H]2C(c3ccc(C)cc3)=NO[C@@]23CSc2ccccc2C3=O)cc1 103190453 FPNROPGTFZXYHT-DHLKQENFSA-N 415.514 5.249 0 1 HKAF Cc1ccccc1-c1nc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)ncc1-c1nc(C)c(C)o1 105203055 QJQZCOWGPHUYFD-ZQJQTPFGSA-N 416.569 6.206 0 1 HKAF CCC[C@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1cccc(Cl)c1)CCCC3 113123688 UPHXRGSIGCPUEP-KRWDZBQOSA-N 413.970 6.772 0 1 HKAF CC[C@@H](C)[C@H]1O[C@]1(C)[C@@H]1C(C)=C[C@@H]2CC(CO)=CC[C@H]2[C@@H]1/C=C/C=C/C=C/C(=O)O 138019342 YSJJFYALBLUMAV-QWBZWFJASA-N 412.570 5.080 0 1 HKAF CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccc(F)cc3)c2)CC1 140064914 QDTNDGDKXXSUJU-UHFFFAOYSA-N 414.521 5.803 0 1 HKAF CC(C)(C)OC(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)CC1 167112224 CAPWVJRUJYAZAN-UHFFFAOYSA-N 419.525 5.259 0 1 HKAF CCCCC1([C@H](O)/C=C/[C@@H]2CCC(=O)[C@@H]2CCCCCCCCC(=O)O)CCC1 169315212 QYZWGTJQKWCRIU-LORPMLANSA-N 406.607 6.065 0 1 HKAF O=C1C[C@@]2(N3CCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@H](c1ccc(Cl)cc1)C2 253684898 SPFNPXDDHRPGQO-COSOUPRKSA-N 414.376 6.078 0 1 HKAF C[C@H]1CC[C@@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 255277757 WQLVFSAGQJTQCK-MAEXQMIYSA-N 414.630 5.714 0 1 HKAF Cc1c(Br)cc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c2c1C 586896427 LNYJNEXEINFGLL-UHFFFAOYSA-N 401.348 6.562 0 1 HKAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 586916421 YWYFNVPKFOOOSR-UHFFFAOYSA-N 400.768 5.263 0 1 HKAF CSc1sc(-c2nc3c(C)ccc(C)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586920411 PQULTUDWERVIAO-UHFFFAOYSA-N 415.005 5.466 0 1 HKAF O=[S@](CCCc1nc2cc3ccccc3cc2[nH]1)c1ccc(Br)cc1 586958071 CKYMDKAKQIPNAS-RUZDIDTESA-N 413.340 5.219 0 1 HKAF COC(=O)c1cc(Br)c2[nH]c([C@@H](C)SCc3ccccc3)nc2c1 586963109 KKWBTEMYXIJGNA-LLVKDONJSA-N 405.317 5.106 0 1 HKAF Cc1cnc(Cl)c2[nH]c(-c3cc(Br)ccc3OCCC(C)C)nc12 586982420 WRZFIJAONHBZQB-UHFFFAOYSA-N 408.727 5.774 0 1 HKAF Cc1ccc2c3c(cc(-c4ncc(C(F)(F)F)cc4Cl)nc13)-c1ccccc1C2=O 586994282 XGQAQMZEBLLVFM-UHFFFAOYSA-N 424.809 6.489 0 1 HKAF Clc1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2n1 586999992 ILBVGCFOMWLQKP-UHFFFAOYSA-N 414.694 5.048 0 1 HKAF FC(F)(F)c1cc(Br)c2nc(-c3ccc(-c4nccs4)cc3)[nH]c2c1 587023602 MYAZIPWDPWZDCG-UHFFFAOYSA-N 424.245 6.135 0 1 HKAF Fc1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1F 587064450 STXBLSKUCUMOHK-UHFFFAOYSA-N 423.850 6.195 0 1 HKAF N=C(N)c1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587070169 SWNYDEIQCNVOSE-OBGWFSINSA-N 400.913 5.674 0 1 HKAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cccc(C)c3[nH]2)c1C 587165597 FLZRWWCAXSGYHW-UHFFFAOYSA-N 405.473 5.207 0 1 HKAF CC(C)Oc1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 587183877 KMNFPIWXPHEDNO-TWGQIWQCSA-N 404.251 5.125 0 1 HKAF CNc1cccc(-c2cccc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c2)c1 587235364 OBEZOTIOYGFEAF-UHFFFAOYSA-N 412.718 6.355 0 1 HKAF CC(C)(C)[C@@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333753 HYKQJWOYESMQMU-RDGATRHJSA-N 405.469 5.414 0 1 HKAF CC(C)(C)[C@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333755 HYKQJWOYESMQMU-WIOPSUGQSA-N 405.469 5.414 0 1 HKAF CCOC(=O)C[C@@]1(CC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352757 XGGYYMGTWYZCCX-QPPBQGQZSA-N 414.473 5.018 0 1 HKAF COc1cccc(-c2cc(-c3cccc(-n4cccc4)c3)nc3c2oc2ccccc23)c1 587361858 BCXZYRBUMUACJJ-UHFFFAOYSA-N 416.480 7.114 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)c1cc(Cl)ccc1n3C)O2 587381076 ZUBQYAOERRNKLG-XMMPIXPASA-N 404.897 5.756 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc4c(c3)OCO4)cc1)CC2=O 587491062 MYRYJRRERYZXNH-HSZRJFAPSA-N 402.446 5.447 0 1 HKAF COc1cc(Br)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 587496848 AACZUURLIFXZDF-LJQANCHMSA-N 417.299 5.052 0 1 HKAF O=C1C[C@@H](c2ccc3cccc(Br)c3n2)Oc2c1ccc1c2CCCC1 587497761 MHMWJEWTBUXNNK-FQEVSTJZSA-N 408.295 5.583 0 1 HKAF O=C1C[C@@H](c2cn(-c3ccc(Cl)c(Cl)c3)nn2)Oc2c1ccc1c2CCCC1 587510718 ZRKNFUYUCNTQFJ-FQEVSTJZSA-N 414.292 5.159 0 1 HKAF CC(C)[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601965 VZYRDJPWIYMJCF-KCWPFWIISA-N 416.517 6.203 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)c1ccccc1)c1ccccc1 587603135 MUFPFLDAXQZCOI-HOFKKMOUSA-N 422.436 5.132 0 1 HKAF O=C(c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C1CCCC1 587603498 PMNKPXBIZAQQGP-GJZUVCINSA-N 414.457 5.468 0 1 HKAF CCc1ccc2nc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)sc2c1 587662294 HXSXNTBOAHRRLE-UHFFFAOYSA-N 401.466 5.364 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(C)(C)C)(c2ccc(Cl)cc2)N1 587698747 JDVZOGMYHCGFQF-LRTDBIEQSA-N 424.785 6.456 0 1 HKAF CC(C)=CCC/C(C)=C\CC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587810972 FHIMRZQFRRNVQG-HBEAFANVSA-N 408.399 6.811 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1ccc(C)c(C)c1 587866694 JTBPDHPYGOCXER-UHFFFAOYSA-N 419.472 5.830 0 1 HKAF COc1ccc2cc([C@@H](C)c3nc4c(Br)cnc(Cl)c4[nH]3)ccc2c1 587934836 GGMQFUUUXDYRER-SNVBAGLBSA-N 416.706 5.687 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cnc(Cl)[nH]c-2n1 587949689 YBHNHFUEDRUOIM-QWQRMKEZSA-N 412.921 5.243 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2c1 587951746 ZNMIOLTULNTMTN-UHFFFAOYSA-N 418.381 6.086 0 1 HKAF CC(C)[C@H](O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@@]12C 888075747 IOWMKBFJCNLRTC-GETPPQDWSA-N 402.663 6.360 0 1 HKAF CCC(C)(C)[C@]1(c2ccccc2SC)c2ccsc2CCN1Cc1cccn1C 962373485 MMAFINZZWRSFJI-VWLOTQADSA-N 424.679 6.547 0 1 HKAF COc1ccc2c(c1OC)[C@](CCc1ccccc1)(Cc1ccccc1)N(C)[C@@H](C)C2 962559128 BLMGQOQFTXOMAX-KMRXNPHXSA-N 415.577 5.651 0 1 HKAF Cc1nc(-c2ccc(O)cc2)sc1[C@]1(C)NCCc2cc(-c3ccccc3)ccc21 962671717 SKZPHYDJGLTKIP-AREMUKBSSA-N 412.558 5.900 0 1 HKAF CCCCCN1C(=O)[C@]2(c3ccccc31)c1ccsc1CCN2Cc1ccco1 962706571 JOQGCZAJZQVDRJ-DEOSSOPVSA-N 406.551 5.180 0 1 HKAF Oc1ccc(CC[C@@]2(C(F)(F)F)c3ccsc3CCN2Cc2cccnc2)cc1 962995709 GSJNWHKWYJANCF-NRFANRHFSA-N 418.484 5.297 0 1 HKAF O=C(O)c1ccccc1[C@@]1(c2ccc(Cl)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963110219 MTHCZOZNHRILQR-CJFMBICVSA-N 421.899 5.490 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCc1cc(F)cc(Cl)c1)c1ccccc1 963222617 BOJFKTMTLOOUON-NFQMXDRXSA-N 421.987 7.012 0 1 HKAF COc1ccc(-c2onc3c2CCc2c-3[nH]c3c(C)cccc23)cc1Br 1772614242 NCEMQKMRHGPHJX-UHFFFAOYSA-N 409.283 5.668 0 1 HKAF C[C@H](NCCc1ccccc1)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857533659 LFPKSAIPLRXRML-XAPRCGGASA-N 421.669 6.147 0 1 HKAF COc1ccc(CN=c2[nH]n(Cc3ccccc3)c3ccc(C(F)(F)F)cc23)cc1 1857554003 QFENQPSNFZUYNK-UHFFFAOYSA-N 411.427 5.146 0 1 HKAF COc1cc(NC(=O)Nc2cc(Nc3ccc(C(C)(C)C)cc3)ncn2)cc(OC)c1 1857576266 DJNBNUXYEMXDLT-UHFFFAOYSA-N 421.501 5.179 0 1 HKAF Oc1ccc(OC(=S)Nc2ccc(Nc3ccc(C(F)(F)F)cc3)cc2)cc1 1857656461 MUHWAXLABWPWSI-UHFFFAOYSA-N 404.413 5.930 0 1 HKAF CC(C)[C@H](O)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356340214 JZCPTPIGOKTFQQ-KTVUFZNESA-N 400.647 6.280 0 1 HKAF O[C@@H]1CN2CCCC=CCC=CCCC3=C[C@H]4CN5CCCCC=CCC[C@@](C2)([C@H]14)[C@@H]35 2356566549 LJHXXWLMNPGGPA-UZINISAASA-N 422.657 5.103 0 1 HKAF CC(C)[C@@H]1CC[C@]2(C)C1=CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]21C 2356571110 IVGYNKMUKVTWBT-FHAWLAJUSA-N 408.714 8.974 0 1 HKAF COc1cc(O[C@@H]2O[C@H](C)[C@H](C)[C@H](C)[C@H]2C)c2c(=O)c(-c3ccc(O)cc3)coc2c1 2356857765 SMKSDRFSKFABKS-VQQPFZIRSA-N 424.493 5.206 0 1 HKAF CN1C(=O)C(c2cn(C)c3ccccc23)(c2cn(C)c3ccccc23)c2cc(F)ccc21 95600174 MJJIQQPQWSNOAP-UHFFFAOYSA-N 423.491 5.120 0 3 HKAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCc1ccccc1F 4295059 UMYZRXLUHPIJRU-SFTDATJTSA-N 402.535 5.260 0 1 HKAF Cc1ccc(NC(=O)[C@@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@@H]2C(=O)O)cc1 13133243 NOCDKRIOXMJXFY-RCTAOEEJSA-N 411.501 5.388 0 1 HKAF CSC1=NC(=O)N(Cc2cccc(Cl)c2)CCN1Cc1cccc(Cl)c1 13652017 OXWYHLKWQDSTCZ-UHFFFAOYSA-N 408.354 5.150 0 1 HKAF CCOC(=O)c1c(-c2cccc(Cl)c2)nc(CC)c(C(=O)SCC)c1CC 13672354 ROBHRARVOIEADW-UHFFFAOYSA-N 405.947 5.597 0 1 HKAF Cc1cc(Br)ccc1C(=O)O[C@H](CCN(C)C)c1ccc(Cl)cc1 13684960 QSJKKDHFCKXZKV-GOSISDBHSA-N 410.739 5.261 0 1 HKAF Nc1ccc([C@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1 13741226 BMTKBAYXMRYCDD-SANMLTNESA-N 406.529 5.501 0 1 HKAF CCc1ccc([C@H]2/C=C/CN[C@@H](c3ccccc3)C(=O)N2Cc2ccc(C)cc2)cc1 13830834 XYEJQXMGABTASH-LVCSZDGVSA-N 410.561 5.528 0 1 HKAF Cc1cc2c(cc1C(=O)c1ccc3cc(C(=O)O)ccc3c1)C(C)(C)CCC2(C)C 26728419 GHILJWZPZVGCGX-UHFFFAOYSA-N 400.518 6.426 0 1 HKAF C[C@H](CC(=O)O)[C@]1(C)CC=C2C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 26845219 DNSLKYSOTQONTJ-XIJCTPQQSA-N 400.603 5.983 0 1 HKAF CC[C@H](c1ccccc1)c1c(O)c2c(oc1=O)[C@H](Cc1ccccc1)CCCCCC2 27520583 QEYQUQCTTUQQLK-XZOQPEGZSA-N 416.561 6.720 0 1 HKAF CN(Cc1ccc(F)cc1)[C@H]1CC[C@H](C(c2ccccc2)c2ccccc2)N(C)C1 28459959 LYUZMHHNZPYBFH-IZZNHLLZSA-N 402.557 5.552 0 1 HKAF Nc1nccn2c(C3CCC3)nc(-c3cccc(OCc4c(F)cccc4Cl)c3)c12 28885525 WIJLBHQUIQDPKH-UHFFFAOYSA-N 422.891 5.618 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(Cl)cc2)C(C)(C)CCC1 28896197 CUXARGPDBXRSOD-FXILSDISSA-N 410.001 7.810 0 1 HKAF CC1=C(/C=C/C2=CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)[C@@H](O)CCC1 40164521 REBCKWLPJGCBRY-VSAZNJBGSA-N 400.647 6.734 0 1 HKAF endogenous,in-man Cc1ccc(CN(C)CCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1C 45505738 LAXUCYFTRUFSCD-UHFFFAOYSA-N 400.541 6.451 0 1 HKAF O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc(Cl)c2ccccc12 73295606 YRBGNVHAVJSMDH-UHFFFAOYSA-N 418.909 5.605 0 1 HKAF Oc1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1 84654956 QYMIRKJXTGMTBG-KJYTXNCISA-N 416.609 5.863 0 1 HKAF COc1ccc(-c2oc3ccc(OCc4c(F)cccc4F)cc3c2C(=O)O)cc1 84670164 GEEMQOORHDSVNG-UHFFFAOYSA-N 410.372 5.664 0 1 HKAF O=C(N[C@@H]1CCN(Cc2ccsc2)C1)c1sccc1-c1cccc(Cl)c1 84688987 CKLIORTZTRJRLV-QGZVFWFLSA-N 402.972 5.134 0 1 HKAF Clc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc4ccccc4c3)C2)cc1Cl 95582200 PWQAYVPGWSRNKH-RUZDIDTESA-N 417.339 7.502 0 1 HKAF COc1cc(Sc2c(-c3cccc(F)c3)[nH]c3ccccc23)cc(OC)c1OC 95596641 PDFFHMMFOSSORU-UHFFFAOYSA-N 409.482 6.151 0 1 HKAF O=c1c2cc(F)ccc2nc(/C=C(\O)c2ccccc2F)n1-c1ccccc1Cl 100857160 WZQGHABKEFBHHX-NDENLUEZSA-N 410.807 5.373 0 1 HKAF CC1=C(O)/C(=C/[C@H](C)CCC/C(C)=C/CC[C@@](C)(O)CCCc2ccoc2)OC1=O 101593654 QFBUNOKEKXMSCV-UMYLQVBKSA-N 416.558 6.159 0 1 HKAF Cc1ccc([S@@](=O)(=NC(=O)Nc2ccc(Cl)cc2)NCc2ccccc2)cc1 102067671 OZIJAWADZSPLGJ-NDEPHWFRSA-N 413.930 5.412 0 1 HKAF O=C(C1CC1)[C@H](c1ccccc1F)N1C(=O)S/C(=C\c2c[nH]c3ccccc23)C1=O 103264264 DHMCJBRZJDKOQU-FJZBCQJGSA-N 420.465 5.064 0 1 HKAF CCOc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCSCC)cc1 103895410 SMQUCWASEGKKGS-NRFANRHFSA-N 415.555 5.190 0 1 HKAF CN(C)CCCNc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1 115760062 BHFRIMSCJFCMSG-UHFFFAOYSA-N 416.500 5.592 0 1 HKAF O=S(=O)(c1ccc(F)c(F)c1)c1cnc2c(F)cccc2c1-c1ccccc1F 115919317 ZWFKKOZHPWLBIV-UHFFFAOYSA-N 417.383 5.291 0 1 HKAF O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 117719972 CCVZFKDILSQMAG-JOCHJYFZSA-N 408.885 5.046 0 1 HKAF CC(C)[C@@H](C)[C@@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118923966 CMQUZVIEHACIBO-RAGUKKPBSA-N 412.702 7.491 0 1 HKAF CC(C)CCCCCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O 140338292 QNOUWBLGEQAMLS-VSEGLXAPSA-N 420.722 9.641 0 1 HKAF O=C(O)c1cc(-c2ccc([C@@H](O)C(F)F)cc2)c2ccc(-c3ccc(F)cc3)cc2c1 142710326 DMLFHHSWRXOXCX-HSZRJFAPSA-N 422.402 6.310 0 1 HKAF [C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(C)cc3)C2=S)cc1C(F)(F)F 167582489 DFZCRAZZWMCLBT-UHFFFAOYSA-N 403.429 5.481 0 1 HKAF COc1ccc(/C=C/c2ccc(C(=O)NC[C@@H](c3ccccc3)n3ccnc3)cc2)cc1 299822749 BKDQKHUOYWGCKF-GJTXFRBNSA-N 423.516 5.082 0 1 HKAF Cc1ccc(S(=O)(=O)N2N=C(C(F)(F)F)C[C@H]2c2cccc3ccccc23)cc1 299840647 YECHQKZCAQFYMA-IBGZPJMESA-N 418.440 5.202 0 1 HKAF CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC 299880603 MNWFCGYYUOPBCQ-VCFYHUQZSA-N 416.606 5.347 0 1 HKAF O=C(c1ccc(Cl)cc1)[C@H](CSCc1ccccc1)n1cnc2ccccc21 473090793 AKMVYSGAHZRPLO-QFIPXVFZSA-N 406.938 6.047 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 586879140 KPFACVVOOGAQPO-UHFFFAOYSA-N 400.331 5.460 0 1 HKAF Oc1ccc(-c2ccccc2-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 586897967 BWFWWXLLXZHWJH-UHFFFAOYSA-N 404.775 6.155 0 1 HKAF Cc1c(Cl)ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12 586961342 VBDVEWSSCAGWRA-QHCPKHFHSA-N 411.752 5.028 0 1 HKAF CC[C@H](C)c1[nH]c(O)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1O 586989322 DWNHDFTVDGULKA-NSHDSACASA-N 400.434 5.072 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(OC)c(Cl)cc2[nH]1 587035764 YMNCPAVLPASIIO-AWEZNQCLSA-N 413.930 5.711 0 1 HKAF Cc1ccc(-c2cc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)c3cccc(Cl)c3n2)o1 587083086 FWHBOHVGXQCMKU-NRFANRHFSA-N 417.856 5.724 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(F)c(Br)c3)nc3cccc1c23 587104474 WEBTXZBHGGMYSU-UHFFFAOYSA-N 404.238 6.015 0 1 HKAF COC(=O)c1cc2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc2cc1OC 587126207 WAVZZEQAOKOHSW-YVMONPNESA-N 408.401 5.140 0 1 HKAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cccc(Br)c3[nH]2)c1 587159230 NNFRVJMFJCHZKT-UHFFFAOYSA-N 407.246 5.470 0 1 HKAF O=C(Nc1cccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1)c1ccc(F)cc1 587162613 GTQFGFFJGZKKGC-UHFFFAOYSA-N 415.346 5.520 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)C1CCCC1 587225897 NQBUHOGHVQAHSS-OAQYLSRUSA-N 421.545 5.150 0 1 HKAF CC[C@@]1(c2cccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331252 IXVIFDSOSQTBTK-OFNKIYASSA-N 414.835 5.988 0 1 HKAF CCCC[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356753 RDOAMQVISIHMHF-ZCYQVOJMSA-N 406.453 5.682 0 1 HKAF COc1cccc(-c2cc(-c3ccc(Cl)cc3O)nc3c2oc2ccccc23)c1 587357448 JHPCVMYAMISMQA-UHFFFAOYSA-N 401.849 6.683 0 1 HKAF COc1cccc(-c2cc(-c3cnc(Cl)c(C)c3)nc3c2oc2ccccc23)c1 587361309 YDBJHNXCFHPSBB-UHFFFAOYSA-N 400.865 6.680 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](Cc2ccccc2)CCC3)c1 587367436 QIGYSJQXWZWHRF-NRFANRHFSA-N 419.524 7.319 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccccc3Br)s1)O2 587410472 NKCLFJHEZBBVHQ-KRWDZBQOSA-N 414.324 5.775 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1OC(=O)c1ccccc1)CC2=O 587477675 IFFHCVIVUWTSSD-AREMUKBSSA-N 416.473 5.445 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(C)(C)C)cc3)o1)CC2=O 587486310 XIOJACBWLMEDFN-DEOSSOPVSA-N 404.506 6.609 0 1 HKAF Cc1ccncc1[C@@]1(c2cccc(F)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 587501480 BYWPBOCQUHENGY-SANMLTNESA-N 401.481 5.625 0 1 HKAF CCOc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 587527552 XPRJZHVEDYEDEW-HHHXNRCGSA-N 414.501 5.579 0 1 HKAF CCCCCOc1cc2nc(COc3cc(C)cc(C)c3)[nH]c2cc1Br 587564592 LZIDNMYLFMXLFX-UHFFFAOYSA-N 417.347 6.090 0 1 HKAF CCCCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC 587596321 NJUBESDNZNDQDM-DHLKQENFSA-N 420.461 5.283 0 1 HKAF CCCCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587599246 WRWAAUCZJLGHIS-DHLKQENFSA-N 404.462 5.664 0 1 HKAF CCCCOc1c(OC)cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599756 ZUEKOVCNFGZEMO-OFVILXPXSA-N 420.461 5.283 0 1 HKAF CC(C)c1cccc2c1OCCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607559 HYDGSFLXUFYKPX-ATIYNZHBSA-N 416.473 5.545 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CC1(CCCC1)Oc1ccccc12 587610893 RBGOLQKLHVVSAT-ATIYNZHBSA-N 414.457 5.345 0 1 HKAF FC(F)(F)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1OCc1ccccc1 587621422 FCIGARMVHLJSGW-UHFFFAOYSA-N 410.193 5.405 0 1 HKAF Fc1cc2c(-c3nc4ccccc4n3C(F)F)c(-c3cccs3)[nH]c2cc1Cl 587629623 UOUMYHJRAZUFJG-UHFFFAOYSA-N 417.843 7.101 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C1CCCCC1 587751672 NMDPBYPSBPOQNJ-MCMMXHMISA-N 419.382 6.135 0 1 HKAF CCOC(OCC)c1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587795591 RCTMESWDOQHCOX-ZUOKHONESA-N 422.338 5.283 0 1 HKAF Cc1cc(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C=O 587815812 QKFGHPUCFRHKCI-LRTDBIEQSA-N 404.323 5.124 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)Cc2ccccc2-3)N1 587824628 XWWNONCIGMSKAV-ZLOXQWCVSA-N 408.314 5.783 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccc(F)cc2s1 587855654 OPLASIKHZNGQBB-UHFFFAOYSA-N 408.285 5.994 0 1 HKAF COc1ccc(OC)c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1OC 587928208 YCKHFSCEMLYPRE-UHFFFAOYSA-N 417.490 5.532 0 1 HKAF CCOC(=O)c1[nH]c(C)c([C@]2(C)NCCc3cccc(-c4ccccc4)c32)c1CC 962670365 RLOQQGLKXIUQJX-SANMLTNESA-N 402.538 5.138 0 1 HKAF Fc1ccc([C@@]2(C3CCC3)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1F 962696866 GYPFSEKDYHRURA-HXOBKFHXSA-N 403.513 5.511 0 1 HKAF CCN(CC)CCCOc1ccc(Nc2nc(N(CC)CC)nc3ccccc23)cc1 1772613678 HHICFDVIJQFLDV-UHFFFAOYSA-N 421.589 5.330 0 1 HKAF Cc1cc(N(CC2CC2)c2nccc3occc23)ccc1-c1c(C)ncc2nccn12 1857586208 ATQJKKRXGWCEQJ-UHFFFAOYSA-N 409.493 5.702 0 1 HKAF CC(=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)[C@@H](C)C(C)C 2356501386 XOTDQICKJVYJLO-LFXWUFAISA-N 400.691 7.491 0 1 HKAF CC(C)=CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@@]21C 2356504548 VYTVWDKLFRPKCF-FVLSFGQRSA-N 400.647 6.281 0 1 HKAF O=C(O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCCCc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@H]1[C@@H]2[C@@H]43 2356570830 XCPLQXFRKHDBSP-RWVZFGKFSA-N 406.522 5.089 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@H](c1ccc(O)cc1O)O2 2356629755 PDOFMWDBNPYGEC-JOCHJYFZSA-N 424.493 5.451 0 1 HKAF C[C@@H]1CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@]3(C)[C@@H]2[C@@H]1C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1CC4 2356735319 NUTMCXRUCDWJCU-ITGMPEKUSA-N 424.713 8.377 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2C(=CCO)[C@H]([C@]3(C)CC[C@H](O)C[C@H]3O)CC[C@@]21C 2356793151 KGIPQHXEDZVYGK-INSZTBGQSA-N 418.662 5.498 0 1 HKAF COc1ccc([C@H](N)c2csc(Nc3ccc(C(=O)c4ccccc4)cc3)n2)cc1 61929239 DTNQJZQANPTSQQ-QFIPXVFZSA-N 415.518 5.174 0 3 HKAF CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(C(C)C)cc1 773498 BJTXGVLNWSLQDW-HRAATJIYSA-N 424.516 5.408 0 1 HKAF CN1CCCC[C@H]1Cn1cc(C(=O)c2ccc(F)c3ccccc23)c2ccccc21 13672798 IVKVVCGMDQQSPX-SFHVURJKSA-N 400.497 5.649 0 1 HKAF CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(-c3cccc(-c4cccnc4)c3)cc12 14945739 HIAOBDKARZRIQC-UHFFFAOYSA-N 422.454 6.588 0 1 HKAF COc1ccc(C(=O)[C@H]2C(=O)O[C@](C)(CC/C=C(\C)CCC=C(C)C)[C@@H]2C)c(O)c1 15219158 KIPSERMYRVHHGN-RYEZDNFWSA-N 414.542 5.624 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CCN[C@@]2(C)C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 27996150 KOIBTUBCPWGUOH-GWFQDJDDSA-N 415.706 6.731 0 1 HKAF C[C@H]1CN(CCc2ccccc2)[C@H](CCN2CCCC2)C[C@@]1(C)c1cccc(O)c1 28568093 RWTHZAWTEOQTJR-GEWUYGHSSA-N 406.614 5.089 0 1 HKAF COc1ccccc1N(C)C(=O)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 28826701 HDOZSQMVAHEKMW-UHFFFAOYSA-N 418.371 5.537 0 1 HKAF CN(C)CCOc1ccc2ccccc2c1[C@@H](c1ccccc1)c1ccc(Cl)cc1 28955504 VAJWIBIYUKBNEE-SANMLTNESA-N 415.964 6.614 0 1 HKAF O=S(=O)(c1ccc(Cl)cc1)N1N=C2CCCC[C@@H]2[C@H]1c1ccc(Cl)cc1 43019575 IWHYUTAJNUKGJM-PKOBYXMFSA-N 409.338 5.285 0 1 HKAF COc1ccccc1-c1noc(-c2ccc(-c3cscc3C)c(C(F)(F)F)c2)n1 43204053 SYLZTBLKSBWRHA-UHFFFAOYSA-N 416.424 6.468 0 1 HKAF Cc1cccc2[nH]c([C@@H]3[C@@H]4C[C@@H]4CN3C(=O)COc3ccc(-c4ccccc4)cc3)nc12 64549176 FKDCHKSYYKFGDW-MZEQIWSPSA-N 423.516 5.137 0 1 HKAF COc1cc([C@@H]2c3c(nc4c(c3N)CCC4)Oc3ccc4ccccc4c32)ccc1O 71296981 JPZOSHNEWNUMJQ-QFIPXVFZSA-N 410.473 5.306 0 1 HKAF Nc1nc(-c2ccccc2)cc(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)n1 82158082 RTXLFWHJJAVIJZ-UHFFFAOYSA-N 407.452 5.385 0 1 HKAF CCCOCCCNc1ncc(-c2ncc(CC)s2)c(-c2ccc(F)cc2)n1 82164037 NSEPUMCUBLNGPN-UHFFFAOYSA-N 400.523 5.197 0 1 HKAF C[C@]1(C2CCCCC2)O[C@@]2([C@H]3CCC[C@H](Cc4ccc(N)nc4)C3)CC[C@@H]1[C@@H](N)C2 85543277 GUPREHWSCHTEKF-PDYIAHLQSA-N 411.634 5.248 0 1 HKAF biogenic,in-vitro CCCCCCN(C)C(=O)n1c2ccc(Cl)cc2c2ccc([C@H](C)C(=O)O)cc21 95556891 XNVSKXKATRVKNI-HNNXBMFYSA-N 414.933 6.116 0 1 HKAF COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)N2CCC[C@H](C)C2)cc1 95589375 ZPNDWRYYRUUXLA-XCMMZWSKSA-N 421.537 5.155 0 1 HKAF CC(C)=C1CC[C@@H](C)[C@]2(C[C@@H](c3ccoc3)OC2=O)[C@H]1CCc1cc(O)ccc1O 96914151 XNXXIHFWTFFMPZ-FDCRXGIOSA-N 410.510 5.681 0 1 HKAF Fc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c2ccc(F)cc2)cc1 103230666 YDSZXMRCXLHXST-GPOLMCQNSA-N 419.515 6.266 0 1 HKAF COc1cccc(-c2ccc3nc(-c4ccco4)cc(C(=O)Nc4cccnc4)c3c2)c1 150147153 PRAAJLUHKMQDTB-UHFFFAOYSA-N 421.456 5.818 0 1 HKAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(c1ccccc1)CCN2C/C=C/c1cccs1 169315315 NFNOQHVSTOPWQK-ZEWIZHEPSA-N 401.575 5.720 0 1 HKAF CO[C@H]1CC[C@]2(C)C(CC[C@H](C)CCOC(C)=O)=C(C)[C@@H](OC(C)=O)C[C@H]2C1(C)C 238734172 DXDXHGPOYKHGNN-VNCDXUCASA-N 422.606 5.465 0 1 HKAF CSc1ccc([C@H]2CC[C@H](OCC3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 261077949 BFMUOBGBJFNSJJ-XUTJKUGGSA-N 419.631 6.098 0 1 HKAF CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3)c(C(C)C)c2)cc1 299825665 MUDTVDFCGYCKCE-UHFFFAOYSA-N 421.562 5.452 0 1 HKAF NC[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)c2cccc(-c3ccccc3)c2)CC1 299869560 UZJPLAPSOZLDOT-LSCGWGKXSA-N 412.577 5.519 0 1 HKAF CC(C)c1cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(O)c(C(C)C)c1 586895847 AFBLBCBLHIJHBC-UHFFFAOYSA-N 402.563 7.334 0 1 HKAF Oc1ccc(-c2ccccc2-c2nc3c(Cl)c(Br)cnc3[nH]2)cc1 586899502 YYQVJVLBAIUGSR-UHFFFAOYSA-N 400.663 5.413 0 1 HKAF CC1(C)CN(c2cccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2)C1=O 586988373 QIJHWDCILWNNTD-UHFFFAOYSA-N 420.468 5.192 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)cccc4[nH]3)c21 587031626 UFUBXERWKYXUPR-GFCCVEGCSA-N 412.356 6.284 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Cl)c(F)cc3[nH]1)N2 587032202 RUVSVEZIYCHURX-WFNNLQEBSA-N 422.938 5.482 0 1 HKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(OCc3ccccc3)ccc2[nH]1 587066084 HNYICTDWXSPWIV-UHFFFAOYSA-N 413.908 6.561 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](c1ccc(C(F)(F)F)cc1)CC3 587104611 ZIBDXSKJIYJRFG-INIZCTEOSA-N 415.414 6.543 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cnc(-c2cccnc2)nc1CC3 587105785 IBOIJJOLRGLPHI-UHFFFAOYSA-N 412.452 5.064 0 1 HKAF COc1ccccc1[C@@H]1CC(=O)Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587107167 PLAVUWZUDXMQHR-FQEVSTJZSA-N 405.453 5.102 0 1 HKAF Fc1ccc(/C=C\c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(F)c1 587151249 XWTNELHUXYBHBO-RQOWECAXSA-N 403.148 5.793 0 1 HKAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c2)c1 587160108 HEEGPSZWFMEISQ-UHFFFAOYSA-N 422.459 6.276 0 1 HKAF Cc1c(CSc2ccc(Cl)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587209296 NERWNIWELBCNSZ-UHFFFAOYSA-N 401.918 6.700 0 1 HKAF COCCC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330888 GCQFPFIXXPFULG-UKILVPOCSA-N 424.443 5.351 0 1 HKAF Cc1ccc2c(c1C)OCCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355726 GLFORYKGFYMTLD-OZXSUGGESA-N 418.464 5.575 0 1 HKAF CCOC(=O)[C@@H](CCOC)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587361974 BUHHWARPWSTDIS-SFHVURJKSA-N 419.477 5.340 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CN(Cc2ccccc2)CC3)c1 587362978 KMKBLLYKGPEZTE-UHFFFAOYSA-N 420.512 6.215 0 1 HKAF CCc1ccc2cc(-c3cc(C)ccc3C)c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)n2c1 587393104 CBDYLCYJPMOWCL-AREMUKBSSA-N 424.544 6.383 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1sc(-c4ccc(Cl)cc4)nc1C)[C@@H](C2)C3=O 587452697 SUZLFGYRDMSFTA-AOMKIAJQSA-N 411.910 5.443 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Oc3ccccc3)c(F)c1)CC2=O 587466996 PATGZJXCHUNWJM-VWLOTQADSA-N 406.453 6.157 0 1 HKAF O=C1C[C@H](c2c[nH]nc2-c2ccc(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 587509740 WVDLVTSHWXVQAV-HXUWFJFHSA-N 413.304 5.969 0 1 HKAF C[C@@H]1CCCCN1CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587517921 XERLFDRRRSKEAY-NIYFSFCBSA-N 419.565 5.525 0 1 HKAF O=C(O)c1ccc(COc2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587532794 NXUCKEJUJHWQHL-QHCPKHFHSA-N 418.445 5.142 0 1 HKAF Cc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538187 CWDSKEXOIQRQFI-GHTZIAJQSA-N 411.251 5.166 0 1 HKAF CCOc1ccc2nc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2c1 587589923 YVVGUGNXNXELRI-DHLKQENFSA-N 413.429 5.042 0 1 HKAF CC(C)(C)Sc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606536 HXVCXBOYIPJVGS-NZQKXSOJSA-N 406.503 5.986 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1ccc(O)cc1 587609220 NQPVJPNSNZKLFJ-OZXSUGGESA-N 410.425 5.468 0 1 HKAF Cc1c(Br)csc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610778 DVLBVSVUDHDBEA-MAUKXSAKSA-N 417.280 5.228 0 1 HKAF CCOC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccc(Br)cc1 587624166 YYWDUMYFFKSBTK-UHFFFAOYSA-N 420.690 5.300 0 1 HKAF Cc1cc2c(cc1Cl)[C@@]1(C=CO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587693982 FSCUAWNLXDPBFH-WYRIXSBYSA-N 408.698 5.234 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Cl)(C2CCCC2)N1 587695451 JXTZBZRKVYXRDO-ASSNKEHSSA-N 422.769 6.210 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cnc(Cl)cc3c2)N1 587707287 VFCSPGMTVUMPLP-OVWNDWIMSA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2n(C)c2ccccc32)N1 587753731 BQEACKSUOBQGRH-MCMMXHMISA-N 413.334 5.194 0 1 HKAF Cc1ccc(-c2cnc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1C 587770617 ATILNFWNSLTLFM-RNODOKPDSA-N 415.306 5.484 0 1 HKAF CCc1ccc(N2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 587770750 TYPYLLVNSHUNNI-OAHLLOKOSA-N 417.366 5.181 0 1 HKAF COc1cc2c(cc1[C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)CCCC2 587812522 ZTZJLNXYUJCHLI-GTJPDFRWSA-N 404.323 5.099 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)sc1Br 587841444 BMEIGZYPHNPKBM-RMLUDKJBSA-N 419.157 5.344 0 1 HKAF Cc1nc(C(C)(C)C)sc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587853411 QYFLVHIVGMTFIW-DGIBIBHMSA-N 411.384 5.448 0 1 HKAF C[C@H](Oc1cccc(Cl)c1)[C@@]1(C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962701517 GRWJZUVQUXVEGC-JIGPKXGUSA-N 405.966 5.525 0 1 HKAF Cc1ccccc1[C@]1([C@@H]2CCC[C@@H](C)C2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963229745 PXTXHPJYHDIUCS-DWKDZLPTSA-N 414.549 5.212 0 1 HKAF C=C1C(c2ccc(Br)cc2)=CC(=O)N1c1cccc(Br)c1 1857539099 SIACXEDOFYCNDY-UHFFFAOYSA-N 405.089 5.156 0 1 HKAF Oc1ccc2cc1Oc1cc(ccc1O)CC[C@H](NCc1ccccc1)CCCC2 1857598638 SFQPKUYGOAOULG-JOCHJYFZSA-N 403.522 5.708 0 1 HKAF CC(C)/C=C/c1c(O)cc2oc(-c3ccc(O)cc3O)c(/C=C/C(C)C)c(=O)c2c1O 1857650637 MPIICGZAWWYYCZ-XVYDYJIPSA-N 422.477 5.621 0 1 HKAF Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2c2ccc(-c3ccccn3)cn2)s1 1857771185 WXELXYNDJWNOGQ-SANMLTNESA-N 422.557 6.147 0 1 HKAF O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ncccc1OCc1cccc(F)c1 1857774682 FBZSHVSIQWHDRO-UHFFFAOYSA-N 421.350 5.342 0 1 HKAF CCC[P@](=O)(Oc1ccccc1)[C@@H](CC(C)C)NC(=O)OCc1ccccc1 1911573291 NDVFUMZQTGXLKI-KMRXNPHXSA-N 403.459 6.052 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@@H](OC(=O)C(C)=CC)c3c(C)coc3C[C@@H]12 2356438618 MZACYIUHAUITMT-BOLZJEHGSA-N 414.542 5.625 0 1 HKAF CC(C=C[C@]1(C)[C@@H](C)CCC(=O)[C@@H]1C)=CCc1c(O)c(Cl)c(C)c(C=O)c1O 2356478794 SETVRSKZJJWOPA-LZDHAAFVSA-N 404.934 5.559 0 1 HKAF COc1ccc2c(=O)c3c(oc2c1)O[C@](C)(CCC=C(C)CC=CC(C)(C)O)[C@@H]3C 2356685739 CVQADAXRSHREJQ-CRICUBBOSA-N 412.526 5.500 0 1 HKAF CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@@H](c1ccc(O)cc1)CC2=O 13382490 TXWYWZHIUMRYOS-HXUWFJFHSA-N 406.478 5.497 0 1 HKAF endogenous,in-man CCOC(=O)c1ccc(OC(=O)c2cc3c(cc2OC)C(C)(C)CCC3(C)C)cc1 27517825 SRZUSQUNMRHAOI-UHFFFAOYSA-N 410.510 5.440 0 1 HKAF COc1cc2c(c(OC)c1)[C@@H](CC(c1ccccc1)c1ccccc1)N(C(C)=O)CC2 28394061 GDUUJQHYQZBCSG-RUZDIDTESA-N 415.533 5.372 0 1 HKAF Cc1cccc(C)c1NC(=O)Nc1ccc2nc(NC(=O)C3CCCCC3)sc2c1 28460367 UUHDGXWKXFZESB-UHFFFAOYSA-N 422.554 6.076 0 1 HKAF CC(C)n1ccc2cc(C(=O)N3CCc4c(cnn4-c4ccccc4Cl)C3)ccc21 28708567 MHGQATFNYTUCCS-UHFFFAOYSA-N 418.928 5.260 0 1 HKAF CC(C)c1cccc(C(C)C)c1N1CN[C@H](C(c2ccccc2)c2ccccc2)C1=O 34803564 VLOWCQLKTAXPKF-AREMUKBSSA-N 412.577 6.028 0 1 HKAF CC[C@@]1(c2ccc(COc3ccccc3)cc2)Oc2cccnc2-n2cccc2C1=O 40391812 IQCKIMSFZBKREW-SANMLTNESA-N 410.473 5.332 0 1 HKAF Nc1ccc(-c2ccc(/C=C/C(=O)O)cc2Cl)cc1C12CC3CC(CC(C3)C1)C2 40874312 MDZHCLVOVABFGD-QHHAFSJGSA-N 407.941 6.155 0 1 HKAF NC(=O)c1cc(-c2ccccc2)cc2c([C@H]3CC[C@@H](NCc4ccccc4)C3)c[nH]c12 45230854 QYTTXSNJNBGZLH-RBBKRZOGSA-N 409.533 5.360 0 1 HKAF Fc1cc(Cl)ccc1[C@H](NC1CCN(c2ccccc2F)CC1)c1cccnc1 72186138 XPCQSTGXXDPGAO-HSZRJFAPSA-N 413.899 5.361 0 1 HKAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2ccccc2)C1 82132961 MGFUTXNXVLZKSM-UXHICEINSA-N 406.574 5.031 0 1 HKAF O=C1Nc2ccccc2/C1=C(\c1nc2ccccc2[nH]1)c1ccc(Cl)cc1Cl 84738776 KUMDZZHPRYLLRP-FMQUCBEESA-N 406.272 5.781 0 1 HKAF COc1ccccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(OC(C)C)cc1 96176951 KUSZBSACZKSBEU-JOCHJYFZSA-N 419.525 5.253 0 1 HKAF COc1ccc([C@H](Nc2ccc(C(F)(F)F)cc2)c2c(C)[nH]c3ccccc23)cc1 103244873 NNTQFFZNUZBJND-QHCPKHFHSA-N 410.439 6.705 0 1 HKAF CC(C)c1ccc(NC(=O)[C@@H](CC(=O)c2cccc3c2CCCC3)n2ccnc2)cc1 169333863 OHWCNPZBPCNNLR-XMMPIXPASA-N 415.537 5.338 0 1 HKAF Clc1ccccc1-c1nc(NCc2ccc(-c3cccnc3)cc2)c2ccccc2n1 169341028 BKIADVTXDHPVSM-UHFFFAOYSA-N 422.919 6.624 0 1 HKAF CC[C@@H]1C(=O)N(C2CCN([C@H]3CC[C@@H]4CCCc5cccc3c54)CC2)c2ccccc21 169341815 VPIVGIRSGLBSJH-XTJBDQBJSA-N 414.593 5.946 0 1 HKAF Cc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccnc2nc3ccccc3n12 169350468 GHJCFDISWJGCBY-UHFFFAOYSA-N 400.485 6.520 0 1 HKAF CCCCc1nnc([C@H]2C(C)=Nc3ccnn3[C@H]2c2ccc(Cl)c(Cl)c2)o1 169722352 HDVMLGABIRENIG-ROUUACIJSA-N 404.301 5.395 0 1 HKAF COc1ccc(C)c(N(Cc2cccnc2)C(=O)c2sc3ccccc3c2Cl)c1 205124303 AAAJDHSLNWIZKC-UHFFFAOYSA-N 422.937 6.114 0 1 HKAF CC(C)=CCCC/C(C)=C\CC/C(C)=C/CC/C=C/CC/C=C(/C)CCC=C(C)C 238753801 HNALRRQWFBFFAO-NPJMOFJQSA-N 410.730 10.605 0 1 HKAF CCCC/C=C\CCCCCCCCCCCc1cc(=O)c2c(o1)CCC[C@@H]2O 238786290 RBDBYUSQLNFUGJ-UZQCKINESA-N 402.619 7.199 0 1 HKAF C[C@H](CO)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 255211461 FYHRJWMENCALJY-JDCLKHJTSA-N 402.663 6.361 0 1 HKAF O=C1O/C(=C/c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c2ccccc21 586906866 RVSOVDDUEYCPDX-KPKJPENVSA-N 409.161 5.013 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 586916341 LKYYUIPKWNELGY-ORAYPTAESA-N 419.706 5.195 0 1 HKAF CC(C)Oc1ccc([C@@H]2CCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)cc1 586989382 GUZOUMONGVYFPL-SFHVURJKSA-N 421.496 6.017 0 1 HKAF CC(C)(Oc1ccc(Br)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 586996475 QJMAXEYSLKCVLF-UHFFFAOYSA-N 401.091 5.341 0 1 HKAF Cc1ccc2c3c(c4c(nc13)C(I)=CCC4)-c1ccccc1C2=O 586998080 XXHOUFKIZSTKEJ-UHFFFAOYSA-N 423.253 5.477 0 1 HKAF C[C@@H]1CCc2sc(-c3nc4c(C(F)(F)F)cc(C(F)(F)F)cc4[nH]3)cc2C1 587033171 GEGPITYNLUCIIY-MRVPVSSYSA-N 404.379 6.454 0 1 HKAF Fc1cc2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2cc1C(F)(F)F 587064224 FMZAOFQNPIGBMI-UHFFFAOYSA-N 410.754 6.213 0 1 HKAF Cc1ccc(-c2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)cc1F 587103217 IBNOQDIJCWFPHI-UHFFFAOYSA-N 415.467 7.228 0 1 HKAF COC(=O)c1ccc(OC(C)C)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587107135 PQVQWPUIYJRCJX-UHFFFAOYSA-N 423.468 5.687 0 1 HKAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587112575 LLOKZKAFBGNYQC-KRWDZBQOSA-N 416.230 5.288 0 1 HKAF FC(F)(F)c1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c(Br)cn1 587115300 RWJLXWQLTCWLKU-UHFFFAOYSA-N 411.008 5.713 0 1 HKAF Cc1ccc2c(ccc3nc(-c4cc(C(F)(F)F)ncc4Br)[nH]c32)n1 587116204 TWBHTGRBGQRYPN-UHFFFAOYSA-N 407.193 5.263 0 1 HKAF Cc1c(Br)cnc2[nH]c(-c3cc(Cl)c(Br)cc3F)nc12 587136090 BWWCCYBWZKRYLZ-UHFFFAOYSA-N 419.479 5.251 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(Cl)c(Br)cc3F)nc2c1 587137071 RIZNRQMZBYPNFJ-UHFFFAOYSA-N 418.049 5.225 0 1 HKAF O=C(c1ccccc1-c1cccs1)c1c(CO)oc2cc(Br)cnc12 587275837 GOLPBGBIJZILBJ-UHFFFAOYSA-N 414.280 5.042 0 1 HKAF CC(C)[C@]1(COCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346921 CKFPBOCYGXMNCR-RSXGOPAZSA-N 420.480 5.502 0 1 HKAF CC[C@@]1(c2ccc(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352912 POGWSFSIZNTJNB-NOZRDPDXSA-N 422.452 5.213 0 1 HKAF Cc1ccc2c(c1C)OCCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355727 GLFORYKGFYMTLD-ZEQKJWHPSA-N 418.464 5.575 0 1 HKAF COc1cccc(-c2c(Cc3ccc4c(c3)OCCO4)cnc3c2oc2ccccc23)c1 587367041 XESXXONRMZJHCD-UHFFFAOYSA-N 423.468 6.019 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCc3sc4ccccc4c32)[C@H]1c1ccc(F)cc1 587373613 MJMYXLPXVYNRAM-DHLKQENFSA-N 416.473 5.947 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4ccc5sccc5c4)o1)[C@@H](C2)C3=O 587454179 VMZAWWWIGGWLBE-XDHUDOTRSA-N 402.471 5.833 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1c1ccc(C(F)(F)F)cc1)CC2=O 587464086 IDTKRXDLLJEVJX-XMSQKQJNSA-N 404.428 6.035 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1cccc(OC)c1)(c1ccccc1)CC2=O 587485113 ZHMFKMHTYYSKHH-SANMLTNESA-N 402.490 5.457 0 1 HKAF Cc1ccc([C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497331 AGMJBHGHTMJRJW-SANMLTNESA-N 402.921 6.436 0 1 HKAF COC(=O)c1cccc(-c2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2)c1 587514083 GIMLVOKJEMKUAZ-XMMPIXPASA-N 413.473 5.121 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)cc1F 587548092 NDRLGVLAAOURLR-FXAWDEMLSA-N 404.315 5.253 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(F)c(Cl)c1 587556001 IHLUUEQJTSTRRR-UZLBHIALSA-N 405.208 5.541 0 1 HKAF C[C@]1(c2c(F)ccc(Cl)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587556362 JMQVXUXCWAZECD-DYESRHJHSA-N 402.780 5.201 0 1 HKAF C[C@]1(c2nc3ccccc3n2C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558569 XCTKYDVFUNTXKR-MBSDFSHPSA-N 422.387 5.014 0 1 HKAF COc1ccc(C(C)(C)C)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596407 VMMRCVJLKDFZBY-XUZZJYLKSA-N 404.462 5.401 0 1 HKAF C[C@@]1(C2(c3ccccc3)CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604598 XHHFUJCERJGLBY-RCZVLFRGSA-N 400.474 5.625 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(O)c2)cc1 587609623 OJNFMTPTWXPZFN-ZEQKJWHPSA-N 410.425 5.468 0 1 HKAF CCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587697301 SMMUKQCRYBUGDP-JEOXALJRSA-N 412.730 5.654 0 1 HKAF Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]c2ccc(Cl)cc12 587702885 XCYMJRFBBGAJAI-AYLIAGHASA-N 407.714 5.655 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(Cl)ccc2C(F)(F)F)N1 587709860 CTSVYBZVOKZSEU-MLXNANBUSA-N 423.635 5.279 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(F)(F)F)c2Cl)N1 587712863 RDGVXMBNNBCPKB-PWJLMRLQSA-N 422.647 5.884 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2Br)N1 587717307 FTQCETVNLCQCQC-BCTVWOGZSA-N 417.091 5.113 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(F)cc3)o2)N1 587732837 JYHTZPPFLDJPNS-PRWKNARSSA-N 404.254 5.611 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3ccccc3)c2)N1 587814892 JCNWRKOLMHCTNT-WNSKOXEYSA-N 410.330 6.053 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3oc4ccccc4c3c2)N1 587833774 OWJVPRQYHXKBKW-IPQOISQHSA-N 410.286 6.111 0 1 HKAF CC1=CSc2ccc(Cl)cc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587854346 DJOBBDPIQVNBFY-WYRIXSBYSA-N 424.766 6.029 0 1 HKAF C[C@H](Cn1nc(C(F)(F)F)cc1C1CC1)c1nc(-c2cccc(Cl)c2)cs1 587921311 UIMUSQBAILWBCK-LLVKDONJSA-N 411.880 6.360 0 1 HKAF Cc1cc([C@@]2(c3ccc(Cl)cc3)NCCc3ccc(F)c(C)c32)ccc1Cl 962094823 SXZFIMARAXJNSD-HSZRJFAPSA-N 400.324 6.187 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCC=C(NNc3ccc(Cl)cc3)C1)N(C(C)C)CC2 962095678 ZLWJZVNTRKSRRA-DEOSSOPVSA-N 411.977 5.495 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@@]1(CCc1ccc(O)cc1)C(F)(F)F 962368431 ASXPIOLDFBPXJD-NRFANRHFSA-N 420.500 5.241 0 1 HKAF CSc1ccc(C(=O)[C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cc1 962957768 OLUUVJVKRTYIMM-LJQANCHMSA-N 421.484 5.003 0 1 HKAF Cn1nc(-c2ccccc2)c2cc([C@@H]3c4ccc(F)cc4C[C@H]4CCCN34)sc21 963091745 JSZPXWZPCGDELD-JPYJTQIMSA-N 403.526 5.551 0 1 HKAF CC(C)(C)c1ccc(C[C@@]2(C(F)(F)F)NCCc3c(Cl)cc(Cl)cc32)cc1 963119750 IAKDZPBGWLJEGX-HXUWFJFHSA-N 416.314 6.437 0 1 HKAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](CC[C@@H]2C[C@H]3CC[C@H]2C3)N1 963184168 QRZYFGYWZDCBNQ-FOXVFAIDSA-N 401.856 5.215 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]12C=C(c1cccc(O)c1)Oc1ccc(O)cc12 963228193 KZJKDSFHKKDWPY-CLYVBNDRSA-N 413.517 5.432 0 1 HKAF Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3ccccn3)c1)CC[C@H]2C 1772575277 PLRSSFZFXGFEFV-MDYRTPRTSA-N 419.956 6.361 0 1 HKAF O=C(O)c1cccc(OCc2ccc(Cl)cc2)c1N1CCCc2ccccc2C1=O 1772597961 JCBNWIIUZWNGQU-UHFFFAOYSA-N 421.880 5.210 0 1 HKAF CCOP(=O)(OCC)[C@@H](Nc1ccc(F)cc1)c1cc2ccccc2nc1O 1857772776 RMXOOHHUWZGYQH-HXUWFJFHSA-N 404.378 5.456 0 1 HKAF O=C(O)c1ccccc1C(=O)c1ccc(Sc2ccc(Cl)c(Cl)c2)cc1 1911574465 VBZGTXYABIJJIX-UHFFFAOYSA-N 403.286 6.074 0 1 HKAF CC(=CCN1[CH]N(C)c2ncnc(N)c21)CC[C@]1(C)[C@H](C)CC[C@]2(C)C(C)=CCC[C@@H]21 2356311816 IMMRUMDJLDNKKI-FJIJVGMHSA-N 422.641 5.960 0 1 HKAF CC(C)=CCCC(C)=CCC[C@]1(C)Oc2c(Cl)c(C)c(C=O)c(O)c2C[C@H]1O 2356324432 REBFEADTNYYLME-XXBNENTESA-N 406.950 5.694 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 2356458974 XHRPJMCAEXVFFM-NLYBMCQMSA-N 410.686 8.153 0 1 HKAF C1=CCCCCN2C[C@@]34CCCCCCCCCCN(C[C@@H]5CC(=CC1)[C@H]2C[C@H]53)C4 2356619418 GLHSTLLNLJNYMI-HFLBTKGNSA-N 410.690 6.580 0 1 HKAF Cc1cc2c(c(O)c1Br)-c1ncoc1C(=O)[C@]1(C)CC[C@@H](C(C)C)[C@H]21 2356802295 SBSHUVJNZWRMRR-GZNWPSJOSA-N 404.304 5.470 0 1 HKAF N[C@H](CCc1ccccc1)c1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1 61907272 QKKYZYIVXUETAM-JOCHJYFZSA-N 413.546 5.750 0 3 HKAF CCc1nc2c(-c3ccc(OC(F)F)cc3Cl)ccnc2n1[C@H](C)C1CCC1 1912762 NOCSZFMUSSDTEB-GFCCVEGCSA-N 405.876 6.277 0 1 HKAF COc1ccc(-c2noc(-c3c(F)cccc3Cl)c2C(=O)N[C@@H](C)C(C)C)cc1 2484854 PWAZCQJEPOPRCZ-ZDUSSCGKSA-N 416.880 5.584 0 1 HKAF CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(C)o2)C2=C(O)CC(C)(C)CC2=N1 4014633 PGJUBHXPXYGKDP-QFIPXVFZSA-N 408.473 5.810 0 1 HKAF O[C@H](COc1cccc2[nH]ccc12)CN1CCC(c2cc3cc(F)ccc3s2)CC1 13490090 FNTCSTKZNRZIQQ-IBGZPJMESA-N 424.541 5.141 0 1 HKAF CCc1nc2c(n1[C@H](C)C1CCC1)C(=O)N(C)CN2c1ccc(Cl)cc1Cl 13582816 VLFFGRQPWHSKJV-GFCCVEGCSA-N 407.345 5.295 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12 15120702 GLMLQROWOJXFJA-FRKPEAEDSA-N 406.478 5.812 0 1 HKAF biogenic,in-vitro CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C(=O)OC)C[C@@H]21 26840250 ZVAXIHRCQMBWSY-WOJBJXKFSA-N 414.586 6.404 0 1 HKAF C/C=C/C/C=C/C/C=C/CCCCCCCC[C@H]1OC[C@H](COP(=O)(O)O)O1 28564428 DXOPTPZUSBDQEI-SXJFNZFASA-N 416.495 5.427 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@@H](N)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 34010793 MUNYFYVFFYKFPN-BBUGEBPPSA-N 403.695 6.406 0 1 HKAF CCC(CC)[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccccc1 34479078 WZPMLPHKGKPPSV-LJQANCHMSA-N 423.991 5.043 0 1 HKAF CC(C)C1=C(C[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)[C@H]1C 38791473 CPOLWWXFYSOOCH-YKCJVXPMSA-N 410.686 7.555 0 1 HKAF COC(=O)c1cccc2oc(-c3cccc4oc(-c5c(C)cccc5O)nc34)nc12 39062478 SFONMRKWCPHKLA-UHFFFAOYSA-N 400.390 5.104 0 1 HKAF biogenic,in-vitro C[C@@H](C(=O)OCC(=O)c1ccccc1)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 39308689 QPPLHRWKCMWRRN-UXPWSPDFSA-N 422.546 5.311 0 1 HKAF C[C@H]([C@H](O)CCC1CC1)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 40434672 HNXXYUFJNVUPGA-ZBZVNJCMSA-N 400.647 6.114 0 1 HKAF CCCCOC(=O)c1ccc(Cl)cc1NC(=O)c1c(Cl)cccc1Cl 40875155 LCFMJBRQLWMYBH-UHFFFAOYSA-N 400.689 5.856 0 1 HKAF O[C@H](CNCc1cccc(Oc2ccc(Cl)cc2)c1)c1cccc(C(F)(F)F)c1 45187150 CMTFWHKFIYSDBZ-OAQYLSRUSA-N 421.846 5.974 0 1 HKAF CC(C)=CCC[C@@]1(C)C=Cc2c(cc3c(c2O)C(=O)[C@H](c2ccc(O)cc2O)CO3)O1 59729248 CSZKAJDXUNNJKV-BVZFJXPGSA-N 422.477 5.073 0 1 HKAF biogenic C[C@H](C(=O)O)c1ccc(C[C@H]2CCCC2=O)cc1-c1ccc(OC(F)(F)F)cc1 72106679 ARWOCFJIVTVKBD-XJKSGUPXSA-N 406.400 5.352 0 1 HKAF CCOP(=O)(OCC)[C@H](NCc1cccnc1)c1ccc(-c2ccncc2)cc1 73197345 SHJSNYFPZRHOGD-QFIPXVFZSA-N 411.442 5.198 0 1 HKAF COc1ccc(-c2ccc(-c3ccc(-c4nc5cccc(O)c5[nH]4)cc3)cc2)cc1OC 73258806 GQWFFWWRBYXGLB-UHFFFAOYSA-N 422.484 6.287 0 1 HKAF O=C(Nc1ccc(F)cc1)N1CCc2sccc2[C@H]1c1ccc(C(F)(F)F)cc1 84654145 WYNBWGVBDVSVCT-LJQANCHMSA-N 420.431 6.086 0 1 HKAF OC1(c2ccc(Cl)cc2)CCN(CCCCc2nc3ccccc3s2)CC1 84725875 CZOXEMUHIJZXSF-UHFFFAOYSA-N 400.975 5.256 0 1 HKAF Cc1ccc2c3c([nH]c2c1C)C(C)(C)[C@@H]1CCc2c(ccc(O)c2C(C)C)[C@@]1(C)C3 95576058 MWCJEXWFUXYSAJ-NEKDWFFYSA-N 401.594 6.968 0 1 HKAF COc1ccccc1C(=O)Nc1cccc(Nc2ccc3c(c2)CCCCC3=O)c1 95578568 NGOSCVYCFNTCJJ-UHFFFAOYSA-N 400.478 5.600 0 1 HKAF CCCOc1ccc(-c2cc(OCCN3CCCCCC3)c3ccccc3n2)cc1 96271023 BLMPACROGUYHJS-UHFFFAOYSA-N 404.554 5.945 0 1 HKAF CC(C)=C1CC[C@@H](C)[C@]2(C[C@@H](c3ccoc3)OC2=O)[C@H]1CCC(=O)OC(C)(C)C 96914158 BKGOTRHUQZLWFQ-VUYBDXIFSA-N 402.531 5.758 0 1 HKAF Fc1ccc(C(F)(F)F)cc1-c1csc(Nc2ccc(Cl)cc2Cl)n1 103229197 USDOYHDLYDOPST-UHFFFAOYSA-N 407.219 7.018 0 1 HKAF CO[C@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](N(C)CCCC(C)C)CC[C@H]32)C1 253634391 SIPYLDVEYNQDRT-DLDUAQBFSA-N 401.679 6.701 0 1 HKAF CCc1ccc2ncc(C(=O)Nc3cc(O)c(C(C)(C)C)cc3C(C)(C)C)c(O)c2c1 299827411 GMRXGUAVAGRAIE-UHFFFAOYSA-N 420.553 6.056 0 1 HKAF Brc1ccc(Br)c2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc12 586887315 SWHXRYTUUIGVCK-KZULUSFZSA-N 418.132 5.459 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(OC(F)(F)F)ccc1C3 586986823 OZBJKJGSEKISKC-UHFFFAOYSA-N 419.358 5.622 0 1 HKAF FC(F)(F)c1cccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c12 587018077 SNRLTMIRDAZOBM-UHFFFAOYSA-N 411.412 5.997 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c21 587030795 LHIAWGIBIDZSGL-VIFPVBQESA-N 405.420 6.078 0 1 HKAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587041852 GVJCKCSTDAUFME-QGZVFWFLSA-N 422.579 5.460 0 1 HKAF COc1cc(-c2nc3cc(Br)cnc3[nH]2)cc(Cl)c1OCC(C)C 587044379 ABMVEFSOQFIIBR-UHFFFAOYSA-N 410.699 5.084 0 1 HKAF Cc1cc(-c2nc3cnc(Cl)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587059696 UUKMTCMGRPJJJE-UHFFFAOYSA-N 423.307 5.342 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2c1 587083907 BZUXUIPWESPFIL-UHFFFAOYSA-N 400.109 5.969 0 1 HKAF O=C(O)CSc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1F 587102775 FPPWFBVAUOZEMU-UHFFFAOYSA-N 415.445 5.429 0 1 HKAF CCOc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)ccc1OC(F)F 587130049 JHHOSEZVMMQRGD-XQRVVYSFSA-N 410.323 5.055 0 1 HKAF Cc1cc(Br)c(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1F 587137563 BLDNIAONCDBPJG-UHFFFAOYSA-N 409.258 5.671 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1F 587149059 FZHCYGIJZQYQAN-LJQANCHMSA-N 405.231 6.316 0 1 HKAF CC[C@@H](Oc1ccccc1F)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587154500 CRAWDARDBDGJQT-GFCCVEGCSA-N 417.200 6.013 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(C)(C)C 587203252 DPCNBUIQKISFBA-ZDUSSCGKSA-N 419.875 5.717 0 1 HKAF O=C(O)[C@H](c1cccc(F)c1)c1c(-c2ccc(Cl)cc2)nc2cccc3c2c1CC3 587213098 ODNFWWFKQUEQJK-JOCHJYFZSA-N 417.867 6.009 0 1 HKAF C[C@@]1(c2c(Cl)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325480 FZBQILSFWKUROL-DENIHFKCSA-N 417.263 6.112 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCc3nc(Cl)ccc32)[C@H]1c1ccc(F)cc1 587329322 LBOBQEXUDGQFPD-GMAHTHKFSA-N 409.844 5.170 0 1 HKAF C[C@@]1(c2cc(F)c(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330310 GVOCXUVUFRQGGV-IRLDBZIGSA-N 418.798 5.737 0 1 HKAF COc1cccc(-c2cc(-c3cccc(OC(C)=O)c3)nc3c2oc2ccccc23)c1 587366589 WMLVKDRYPSNMAO-UHFFFAOYSA-N 409.441 6.249 0 1 HKAF COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCc1ccccc1Cl 587377479 IUJYKHKONJOGBN-JOCHJYFZSA-N 423.896 5.525 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4cccc5ccccc45)c1)[C@@H](C2)C3=O 587442362 KIMXXOBCSPBQMH-CUBQBAPOSA-N 422.480 5.916 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc3c1cnn3[C@@H]1CCCCO1)CC2=O 587474572 GDJJHQBPNCOMJO-PKTZIBPZSA-N 406.482 5.100 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(OCc3ccccc3)ccc1O)CC2=O 587480680 OTLAIDHMTSEXND-DEOSSOPVSA-N 404.462 5.336 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccncc3)c(OC)c1)CC2=O 587488805 KDKCFQQAMDJCGJ-HSZRJFAPSA-N 419.477 5.034 0 1 HKAF O=C1C[C@@H](c2cc3cc4c(cc3nc2Cl)CCC4)Oc2c1ccc1c2CCCC1 587503895 ZWEICATXLAHKRY-QHCPKHFHSA-N 403.909 5.962 0 1 HKAF COC(=O)c1cc([C@@]2(C3CCCCC3)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 587528370 YHVPCJNQGSRFDT-VWLOTQADSA-N 407.510 5.121 0 1 HKAF CC(C)(C)OC(=O)Nc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587535348 KHKNWNJRAJZBIF-MRXNPFEDSA-N 400.500 5.075 0 1 HKAF Cc1cc(C)cc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587580466 XZDZCTAUQXXUAR-ZEQKJWHPSA-N 411.457 5.503 0 1 HKAF COc1ccccc1[C@]1(C2CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599979 JTYAYCZKKOPSDR-BVAGGSTKSA-N 416.473 5.448 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ncc(-c2ccccc2)s1 587619432 SMBAJJZLFCQWTA-DENIHFKCSA-N 401.443 5.219 0 1 HKAF Cc1cc(Cl)cc2c(CCc3ccc(Br)cc3)c(-c3ccccc3)[nH]c12 587623724 MXKIIHSQWDVNAZ-UHFFFAOYSA-N 424.769 7.344 0 1 HKAF Cc1cc(Cl)cc2c(CCCCc3nc4ccccc4[nH]3)c(C(F)(F)F)[nH]c12 587624983 XQSGODNWWGOREN-UHFFFAOYSA-N 405.851 6.590 0 1 HKAF COc1cc(-c2[nH]c3cccc(F)c3c2C(=O)C(F)(F)F)ccc1OC(F)F 587633941 PBETYPABYSHOBF-UHFFFAOYSA-N 403.278 5.329 0 1 HKAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(F)(F)F 587714524 VTLZLGAIHWBNHQ-VVVCHXIZSA-N 418.228 5.239 0 1 HKAF FC(F)(F)c1cc2nc(COC/C=C/c3ccccc3)[nH]c2cc1Br 587780579 DMTHBBGMXKFVAM-QPJJXVBHSA-N 411.221 5.574 0 1 HKAF COc1cccc(OCc2ccc(-c3nc4c(F)c(F)c(Cl)cc4[nH]3)cc2)c1 587781534 WLRXPQATBSYDCD-UHFFFAOYSA-N 400.812 5.749 0 1 HKAF COc1ccc2[nH]cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1C 587794967 WZIHHJPIWIIVBP-FVINQWEUSA-N 403.295 5.010 0 1 HKAF COc1cccc2cc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)oc12 587829287 QAILCZDNODBMIS-GIPWTMENSA-N 404.279 5.141 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC=C2CSc2ccccc2)N1 587848494 WRTJVSPPBVOYQS-LHSJRXKWSA-N 418.375 5.830 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccsc3)c2)N1 587856780 YBIVORIHIRPVDT-FKIZINRSSA-N 402.332 5.940 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1cc(C)ccc1F 587860685 CTTAZYVKGKIXHG-UHFFFAOYSA-N 409.408 5.270 0 1 HKAF Cc1ccccc1-c1cc(O)n(-c2c(Br)cccc2-c2cnn(C)c2)c1O 587934440 FOPQXEGUQGMPLT-UHFFFAOYSA-N 424.298 5.027 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(CO)cc2[nH]1 587948986 LSGGRBLKAJGRIQ-WLENULPWSA-N 406.526 5.340 0 1 HKAF CCOc1cccc2cc(C(=O)N(Cc3ccc(Cl)c(Cl)c3)C(C)C)oc12 653719910 LOASRXFMKMKWOM-UHFFFAOYSA-N 406.309 6.189 0 1 HKAF CCOC(=O)CCC[C@@]1(C2CCCCC2)c2cc(OC)ccc2CCN1C(C)C 962096629 YZYVNOITVZOJQI-RUZDIDTESA-N 401.591 5.471 0 1 HKAF COc1ccc2c(c1OC)[C@@](C)(c1cccc(Oc3ccccc3)c1)N(C)[C@H](C)C2 962639688 QQVRBSCZQYQJDB-WXTAPIANSA-N 403.522 5.636 0 1 HKAF Fc1cc(OC(F)(F)F)cc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c1 962720250 TUBJQQSPGDDUKY-KUHUBIRLSA-N 415.427 5.316 0 1 HKAF COc1ccc2c(c1)[C@](C)(c1c(C(F)(F)F)cc(C(F)(F)F)n1C)N[C@H]1CC[C@@H]21 962994660 LBYUQTVELZDOMD-XLWVJDPXSA-N 418.381 5.184 0 1 HKAF C=Cc1c(OC)cc(/C=C/c2ccc(C(=O)OCc3ccc(F)cc3)cc2)cc1OC 1857543971 FDLYWWJBICYZMS-AATRIKPKSA-N 418.464 6.013 0 1 HKAF Cc1cc(O)cc2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CO)CC2 1857566628 BCXUWFJENSOESD-HRGDABNKSA-N 418.662 7.196 0 1 HKAF COc1ccc(OC)c(-c2cn3nc(-c4c[nH]c5ccc(Cl)cc45)sc3n2)c1 1857573678 KOGAIVBCQVWEBZ-UHFFFAOYSA-N 410.886 5.277 0 1 HKAF CC(=O)OCc1cc(O)c2c(c1)[C@H]([C@H](C)CCC=C(C)C)[C@H](OC(C)=O)C[C@@H]2C 2356418616 PKMNHSSVMBTKOL-CYLLCJIISA-N 402.531 5.360 0 1 HKAF COC(=O)C=CC(C)=CC(C)=C[C@@H]1C(CC(C)=O)=C(C)C=C2C[C@H](C)C(=O)[C@H](C)[C@@H]21 2356572046 NPDRLDWBYQKWPG-SNORNCBISA-N 410.554 5.321 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)C3=CC[C@]21C)C(C)C 2356747747 UZUFWBGYKVBHGD-BZXARGFHSA-N 408.670 7.785 0 1 HKAF COc1cc(C)c(O)c(C[C@@H]2[C@H](C)CC[C@@H]3[C@@H](CCC(=O)O)C(=C(C)C)CC[C@@H]32)c1 2356802251 SAEUKSAQLUZKAT-HQFBCKHPSA-N 414.586 6.141 0 1 HKAF CC(=CCCC(C)=CCCC(C)=CCC[C@@]1(C)C=Cc2cc(O)cc(C)c2O1)CO 2356841995 MJZFBVOMKKZNIC-MHZLTWQESA-N 410.598 7.037 0 1 HKAF Cc1cc(Br)cn2c(Cc3cccc(Cl)c3)c(-c3ccco3)nc12 95569020 JESMIUAIFXBPCA-UHFFFAOYSA-N 401.691 5.909 0 3 HKAF COc1ccc([C@@H]2CC(=O)c3c(cc(O)c(C/C=C(\C)CCC=C(C)C)c3O)O2)cc1 13378638 LKAFYCSXBIOTDY-KUCZMUFWSA-N 422.521 6.048 0 1 HKAF CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2CCc3cocc3[C@@]12C 15194718 WAADVUIWRUHATI-NXQORITBSA-N 412.614 6.684 0 1 HKAF Fc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3cccs3)C2)cc1 28061400 JLRMAEDIMRDUAS-HXUWFJFHSA-N 405.523 6.366 0 1 HKAF COc1ccc(C(=O)c2oc3cc(-c4cccc(F)c4)cc(O)c3c2C)c(OC)c1 28378753 XIPQDMMGYJRLKG-UHFFFAOYSA-N 406.409 5.501 0 1 HKAF Cc1ccc(-c2cc3c(N)ncnc3nc2-c2ccc(/C=C/c3ccccn3)cc2)cc1 28473910 FMCJKBDHGIEHMU-NTEUORMPSA-N 415.500 5.815 0 1 HKAF Cc1cc(C)c2oc(-c3ccc(NC(=O)COc4c(C)cccc4Cl)cc3)nc2c1 29048835 DCYSDHOWHKRYNX-UHFFFAOYSA-N 420.896 6.091 0 1 HKAF CC[C@H]1C[C@H]2NC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@@H](C)CCCC(C)C)[C@H]12 36189473 MASOXJRADXYGSF-APYFDJFPSA-N 415.706 7.222 0 1 HKAF COc1ccc(-c2c(C)noc2[C@H]2[C@@H](c3ccc(Cl)cc3)C[C@H]3CC[C@@H]2N3C)cc1 40892048 MRFZMPJKMYTXDM-VLHNPEIBSA-N 422.956 6.046 0 1 HKAF CC1(C)CCC[C@]2(C)Oc3c(c(O)cc4oc(-c5ccc(O)c(O)c5)cc(=O)c34)C[C@H]12 43079333 AWGPELCDBUFEAW-BWKNWUBXSA-N 422.477 5.097 0 1 HKAF biogenic O=S(=O)(c1ccccc1)c1cnc2nc3ccccc3n2c1-c1ccc(Cl)cc1 72119646 VCYCJBGDUFIAAO-UHFFFAOYSA-N 419.893 5.036 0 1 HKAF CCn1c2ccccc2c2cc(CN3CCC4(CC3)C[C@H](O)c3ccccc34)ccc21 73222617 RGONDGBXSBUYKY-MHZLTWQESA-N 410.561 5.785 0 1 HKAF COc1ccccc1CNc1ncc(-c2nc(C)c(C)o2)c(-c2ccc(F)cc2)n1 82164921 MXWISLDNKLMOON-UHFFFAOYSA-N 404.445 5.175 0 1 HKAF CCCCCn1c(-c2cccc(O)c2)nc2c(NCc3ccc(C)cc3)ncnc21 82179121 TVMCKEMYSTWBNE-UHFFFAOYSA-N 401.514 5.310 0 1 HKAF NC1=N[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)c2c(ccc3ccccc23)O1 98084476 DECFBYQKXSETIZ-SANMLTNESA-N 416.484 5.489 0 1 HKAF Cc1ccc(S(=O)(=O)N[C@@H]2CCCCCCCCCCC(=O)O[C@@H](C)CC2)cc1 103205100 IFXIUHSCMJJJJI-LEWJYISDSA-N 423.619 5.268 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913639 HWOOALPDOJHOPO-JSQSNMPGSA-N 402.663 6.648 0 1 HKAF endogenous,in-man COc1cc(/C=C\CC/C=C/C=C(\C)CC[C@H](O)c2ccco2)cc(OC)c1OC 136936114 BWOGYZBWMQTAEE-YBBKABOUSA-N 412.526 6.115 0 1 HKAF CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3CC(=O)[C@@H]2C1 137396231 GGNMCEMUZBBANL-NFUIOVERSA-N 416.690 7.302 0 1 HKAF CC[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(OC4CCCC4)cc3)oc2c1 139496318 IUYMWMDCDFLZMY-OAHLLOKOSA-N 403.482 5.066 0 1 HKAF Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc3ccccc3c2)n1 141886686 JBGPVZUWLAAZOC-GOSISDBHSA-N 419.532 6.179 0 1 HKAF CCCCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 142489799 MKKJVJCUFYKFLO-GRGXKFILSA-N 412.618 5.056 0 1 HKAF CCN(CC)[C@@H](C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1F 150063317 VYDKEJWFXGLSCD-ZDUSSCGKSA-N 410.514 5.657 0 1 HKAF CCCCC[C@@]1(c2ccccc2)CC(=O)[C@@H](Sc2ccccc2C(C)C)C(=O)O1 169721662 QLVSGNQNTLCWPY-NOZRDPDXSA-N 410.579 6.263 0 1 HKAF C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1ccc(F)cc1 198390748 BZCVWUCLNMTRBT-HNNXBMFYSA-N 408.423 5.598 0 1 HKAF COc1cc2cncc(Cc3coc4c(Cl)cc(Cl)cc4c3=O)c2cc1OC 205655606 GHWAQMXQTUIXQZ-UHFFFAOYSA-N 416.260 5.256 0 1 HKAF Cc1cccc(C(=O)c2cccc([C@@H](C)CN3CCCC[C@H]3CC3CCCCC3)c2)c1 253635027 REXHJAHFEIMMEL-FIPFOOKPSA-N 417.637 7.154 0 1 HKAF CC(C)[C@@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)[C@H]1C 255285031 YQSCMUYRADBXNP-ZOQGWZJYSA-N 414.718 7.571 0 1 HKAF Cn1c(C(=O)c2ccc(Oc3ncccc3-c3cccnc3)cc2)nc2ccccc21 299871045 XQWMRWCBZDBAJA-UHFFFAOYSA-N 406.445 5.054 0 1 HKAF CC1(C)CCC[C@]2(C)Oc3c(O)ccc(CCC(=O)c4ccc(O)cc4O)c3C[C@@H]12 474609816 VPGBLFFVUJEHRV-DHLKQENFSA-N 410.510 5.139 0 1 HKAF FC(F)(F)Oc1cc(Br)c2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2c1 586883997 FZFGBUHXPZINPE-SCLBCKFNSA-N 423.232 5.596 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(-c4c(C)oc5c4C(=O)CCC5)[nH]c3c2)cc1 586904179 RMVFDVVNDAWBMD-UHFFFAOYSA-N 416.433 5.229 0 1 HKAF COC(=O)c1ccc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2c1 586981524 DOJPLQIHVJWAOD-MRXNPFEDSA-N 415.331 5.484 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2ccc(Cl)nc2[nH]1 586981759 NZMOAGDOQDDHSK-UHFFFAOYSA-N 408.727 6.000 0 1 HKAF O=C1c2ccccc2-c2cc(Cc3ccc(Cl)cc3Cl)nc3ccc(O)c1c23 586986382 RHABZDPBUDAIJQ-UHFFFAOYSA-N 406.268 6.049 0 1 HKAF Cc1cc(C)c(C(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)c1 586991404 MCGJTYXUEDRHAS-UHFFFAOYSA-N 407.469 5.502 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(Oc4ccccc4)cc3)nc3ccc(O)c1c23 586993251 WBWWJSBZPJNBCY-UHFFFAOYSA-N 415.448 6.611 0 1 HKAF COc1ccc([C@@H]2CCCc3c2nc2c(C)ccc4c2c3-c2ccccc2C4=O)cc1F 586994701 COBXIXKLJJQLSU-KRWDZBQOSA-N 423.487 6.371 0 1 HKAF Clc1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2n1 586998587 MZOHBVGSLAZKHP-POHAHGRESA-N 400.663 5.804 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c(-c3cccc(-c4ccsc4)c3)nc2c1 587025104 GQROVQXZOXTARL-UHFFFAOYSA-N 423.257 6.740 0 1 HKAF Oc1c(Br)ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 587033562 XDXIZIAPLSEHAI-UHFFFAOYSA-N 400.301 5.039 0 1 HKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(C)cc(Br)c2[nH]1 587044702 PVXWUMPXWGKLPD-UHFFFAOYSA-N 416.102 5.625 0 1 HKAF CCCCOc1cc2[nH]c(-c3cc(Cl)c(OC)cn3)nc2cc1Br 587064116 AZWRWXWXOACORD-UHFFFAOYSA-N 410.699 5.228 0 1 HKAF FC(F)(F)[C@](F)(Cl)c1nc2cc(Br)c(Br)cc2[nH]1 587090431 QINWMASTTBQYBA-QMMMGPOBSA-N 410.390 5.011 0 1 HKAF Nc1ccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(C(F)(F)F)c1 587095711 RTUHCMAHQCEYRC-UHFFFAOYSA-N 424.142 5.612 0 1 HKAF FC(F)(F)c1ccc(Oc2ccc(-c3nc4ncc(Cl)c(Cl)c4[nH]3)cc2)cc1 587113437 KAWSTQHLYVEROG-UHFFFAOYSA-N 424.209 6.743 0 1 HKAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(Br)nc2[nH]1 587122134 RLWSYYFETSNBSF-UHFFFAOYSA-N 423.192 5.143 0 1 HKAF Fc1c(F)c(F)c(/C=C\c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(F)c1F 587133924 FERNLFJTSSSYAM-CLFYSBASSA-N 402.322 6.221 0 1 HKAF CC(C)CCOc1cc2nc(Cc3cc(N)ccc3F)[nH]c2cc1Br 587141204 NLDGMLBNLRFOOM-UHFFFAOYSA-N 406.299 5.062 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c(F)c2)c(F)c1 587148969 NSPAIYLWSYNAHJ-UHFFFAOYSA-N 405.231 6.491 0 1 HKAF Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3c(Cl)ccnc3[nH]2)cc1 587165512 YANFRBRWVHXYJF-UHFFFAOYSA-N 418.863 5.088 0 1 HKAF O=C1c2ccc(O)cc2O[C@](CCc2ccccc2)(C(F)F)[C@H]1c1ccc(F)cc1 587326113 AJDTWNCMRVIDJB-URXFXBBRSA-N 412.407 5.527 0 1 HKAF CCc1ccc2oc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2c1 587358800 XMXRUWNCOROWLB-AZGAKELHSA-N 416.448 6.114 0 1 HKAF COc1cccc(-c2c(C)c(-c3ccc(F)cc3F)nc3c2oc2ccccc23)c1 587360271 NLWPPFPWYFYEMI-UHFFFAOYSA-N 401.412 6.910 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c([nH]c4ccccc24)CC3)c1 587362898 MPQQJDQOZJIILP-UHFFFAOYSA-N 416.480 6.904 0 1 HKAF COc1cccc(-c2cc(-c3c(C)nn(C(C)C)c3C)nc3c2oc2ccccc23)c1 587363128 QDNJGTXNTXPQMK-UHFFFAOYSA-N 411.505 6.718 0 1 HKAF COC(=O)[C@@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2CC1 587363300 PWPPGWKCFKYRDQ-HNNXBMFYSA-N 401.462 5.325 0 1 HKAF COc1cccc(-c2cc(CC(=O)Nc3nccs3)nc3c2oc2ccccc23)c1 587365568 DVEMPQVFCFOINC-UHFFFAOYSA-N 415.474 5.294 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(Cl)ccc1O)(c1ccccc1Cl)O2 587377825 KKASNRRDDJJCQW-QFIPXVFZSA-N 414.288 5.499 0 1 HKAF CCOC(=O)c1ccc(-c2ccccc2[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587401387 WLQNKJLKHMWPPR-AREMUKBSSA-N 415.489 5.302 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(-c4cc(C)ccc4C)cc4ccccn14)[C@@H](C2)C3=O 587436079 NCYUNKBBFKFMEY-CUNXSJBXSA-N 409.485 5.720 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(C)cc4)nc4c(C)cccn14)[C@@H](C2)C3=O 587437214 XTKKWMAFKCJASL-UQBPGWFLSA-N 410.473 5.115 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3cc(Br)ccc3n1)CC2=O 587458904 MANNSHPCAUBNGP-HXUWFJFHSA-N 412.283 5.362 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](c2ccccc2)Oc2ccc(O)cc21 587491831 QADLRIBAADJJAV-AZGAKELHSA-N 416.473 5.435 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1csc(COc3ccc(C)cc3)n1)CC2=O 587494140 JLRWSOSUTZLSFH-OAQYLSRUSA-N 409.507 5.395 0 1 HKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(F)ccc(F)c12 587510197 VLNKMQYTISKFMY-SANMLTNESA-N 416.423 5.297 0 1 HKAF Cc1ccc(C)c(-c2nc3ccccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587514716 JGLCCNJRWPEZEK-XMMPIXPASA-N 422.528 6.203 0 1 HKAF COC(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1 587533540 WUEJOFTXTNPMNV-OAQYLSRUSA-N 418.514 5.787 0 1 HKAF COc1ccc(Oc2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1 587535072 IAWMCGRZDZLORV-FQEVSTJZSA-N 407.491 5.529 0 1 HKAF Cn1c2c(c3ccccc31)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580888 ZVKDMPNLZASSMZ-NVQXNPDNSA-N 411.457 5.077 0 1 HKAF Cc1ccc(O)c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587608241 KNZGHSJUKSUMNU-SQHAQQRYSA-N 424.452 5.312 0 1 HKAF Cc1cc(Cl)cc2c(N3CCC(C(N)=O)CC3)c(-c3ccc(Cl)cc3)[nH]c12 587624101 FPSTXZLCNUWMEI-UHFFFAOYSA-N 402.325 5.152 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccc(Cl)c(Cl)c1 587625396 HNTZBBQCKGUTAB-UHFFFAOYSA-N 412.160 7.488 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2CCC(F)(F)F)N1 587709214 JMCFWQFJCQYLTH-ADLMAVQZSA-N 416.256 5.707 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(c3ccc(F)cc3)CC2)N1 587731590 HIZJGNXJEHXOPN-TZHTUTLZSA-N 406.314 5.815 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC=C2NNc2ccccc2)N1 587749177 NHDHDBTXDBOTOS-SZNDQCEHSA-N 416.338 5.002 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2c2ccccc2n3C)N1 587755275 HKMOYDYDDSPGRA-WHEQGISXSA-N 413.334 5.194 0 1 HKAF Cc1cc(C)c2[nH]c3c(c2c1)CC[C@]31N[C@H](C)Cc2cc(Br)c(F)cc21 587804698 RZRDIRHROCUKKQ-MCMMXHMISA-N 413.334 5.410 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccsc3)s2)N1 587846831 IKMBDTZIZADCIE-YPMLDQLKSA-N 408.361 6.002 0 1 HKAF Cc1cc(OCc2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)o2)ccc1Cl 587873695 HERYCFZBVONBHC-UHFFFAOYSA-N 424.815 5.617 0 1 HKAF Cc1c(F)ccc2c1[C@@](c1ccc(F)cc1)(c1ccc(Br)cc1)NCC2 962297043 HWOFVRQQNWYMCR-QFIPXVFZSA-N 414.293 5.473 0 1 HKAF Cc1cccc([C@]2(c3ccc(CN4CCC4)cc3)NCCc3c2sc(C)c3C)c1 963008096 JGTSMEKZYSTROE-SANMLTNESA-N 402.607 5.317 0 1 HKAF COc1ccc([C@@]2(c3cccc(Cl)c3)c3c(F)cccc3C[C@H]3CCCN32)cc1 963113640 VHXGVAHWISKTBG-PXDATVDWSA-N 407.916 5.800 0 1 HKAF C[C@H](CCN(C)CC12CC3CC(CC(C3)C1)C2)Nc1ccnc2cc(Cl)ccc12 1772594117 JMZCLSRQFRYKPZ-KNEUKCCGSA-N 412.021 6.227 0 1 HKAF CC1(C)CC(C)(C)c2cc(NC(=S)Nc3ccc(C(F)(F)F)cc3)ccc2O1 1857655164 OLEARAURPCNPFH-UHFFFAOYSA-N 408.489 6.353 0 1 HKAF COc1ccc2ccccc2c1[C@H]1c2c(n[nH]c2C)Oc2nc3c(c(N)c21)CCCC3 1857752363 VOAWRSAQXWYEAL-OAQYLSRUSA-N 412.493 5.022 0 1 HKAF O=C(Nc1cccc(Cl)c1)N[C@@H](C(=O)Nc1cc(F)ccc1F)c1ccccc1 1857762169 XBYAIZXZCKVJHS-LJQANCHMSA-N 415.827 5.120 0 1 HKAF Cc1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1 1857772102 HKVHMYKAICYJDN-UHFFFAOYSA-N 417.940 5.462 0 1 HKAF CC1=C(C(C)C)[C@@H]1C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356615456 HBUXJBGKOKXRBP-DMHQMUAQSA-N 410.686 7.555 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1[C@@]1(C)CC(c2ccc(Cl)cc2)=NO1 12477196 KEZXEAQIIQWZEC-HXUWFJFHSA-N 403.334 6.465 0 3 HKAF C[C@]1(C(=O)Nc2cccc(Oc3ccccc3)c2)CCN1Cc1cc2ccccc2o1 61903510 GABCPFRVPADPPZ-AREMUKBSSA-N 412.489 5.828 0 3 HKAF CCOc1ccccc1-c1onc(-c2ccc(OC)cc2)c1C(=O)NCCC(C)C 774417 QJQRUQUOTQGBMA-UHFFFAOYSA-N 408.498 5.192 0 1 HKAF C[C@H]1CCCC[C@@H]1NC(=O)c1cccnc1SCc1cccc(Br)c1 3021370 UZQRVIQYASHRIT-KSSFIOAISA-N 419.388 5.445 0 1 HKAF CC(C)[C@@]12CC[C@]3(c4cc5c(cc41)[nH]c1ccccc15)[C@@H](O)CC[C@@H](C)[C@]3(C)CC2 3799079 VQBYLQIQOJUYEJ-ZARMMOAGSA-N 401.594 6.837 0 1 HKAF COc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1 13472264 HZWWLKPTHNPSQB-UHFFFAOYSA-N 415.577 6.104 0 1 HKAF COc1cc2c(cc1OC)CN(CC[C@H](Oc1ccc(C)cc1)c1ccccc1)CC2 13530655 DHPPYIZBMXGBPH-VWLOTQADSA-N 417.549 5.581 0 1 HKAF Cc1cccc(Nc2nc3ccc(C(=O)Nc4c(C)cccc4Cl)cc3s2)n1 13536568 KNQWHYOKRXMEIP-UHFFFAOYSA-N 408.914 5.957 0 1 HKAF C[C@@H](COC(=O)c1ccc(-c2cc(O)cc(-c3ccccc3)c2)cc1)CC(C)(C)C 13603849 ZTCYLXRVDQWBSW-LJQANCHMSA-N 402.534 6.955 0 1 HKAF CC(=O)N1c2ccc(OCCc3ccccc3)cc2[C@@](C)(c2ccccc2)CC1(C)C 13611399 BDOHZKGDZKJGLM-MUUNZHRXSA-N 413.561 6.149 0 1 HKAF COc1ccc2c(c1)[C@H](CCCCN1CCN(c3ccccc3OC)CC1)CCC2 13740677 OKYMMNZLKVUQRW-OAQYLSRUSA-N 408.586 5.116 0 1 HKAF CCc1c(Sc2cc(C)cc(C)c2)n(COCc2ccccc2)c(=S)[nH]c1=O 13775985 INFFEDXSIJMLBP-UHFFFAOYSA-N 412.580 5.411 0 1 HKAF CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2F)[C@H]1c1cccs1 20904269 PIVMIEGGUYSRNL-FGZHOGPDSA-N 422.525 5.463 0 1 HKAF C(=C/c1cccs1)\CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 22938580 VHARAMYFMYXHSB-NTUHNPAUSA-N 418.606 5.185 0 1 HKAF c1ccc2c(CNCc3ccc(CNCc4cccc5ccccc45)cc3)cccc2c1 28259872 KAFPFBWDQLNNRS-UHFFFAOYSA-N 416.568 6.573 0 1 HKAF O=C(Nc1cccc2cnccc12)N[C@@H]1CCc2cc(O)ccc2[C@@H]1Cc1ccccc1 28959369 UFYQTAFLSSXIDE-AZGAKELHSA-N 423.516 5.403 0 1 HKAF C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@H](C)C[C@@H]1O 33820707 CFTBOPSKSDQDCX-RBYOMADFSA-N 414.674 6.980 0 1 HKAF CC(C)C[C@H](C(=O)O)c1ccc(-c2ccc(C(F)(F)F)cc2)c(OCC2CC2)c1 43203473 DULVNBRVOVPTNC-FQEVSTJZSA-N 406.444 6.376 0 1 HKAF C/C(=C\C=C\C[C@H](C)C(Cl)(Cl)Cl)C(=O)N[C@H](c1nccs1)C(C)C 49115975 SASMNYHOQIJNIJ-CBZHAUGTSA-N 409.810 5.855 0 1 HKAF CC[C@@H](C)NC(=O)c1cnc(N[C@H](C)CC)nc1-c1ccc(-c2ccccc2)cc1 82154175 WFMGIIWYZNPQFL-QZTJIDSGSA-N 402.542 5.549 0 1 HKAF Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)oc1C 82175362 CVLUIZGUZHAYNA-PHVMSGICSA-N 420.532 6.037 0 1 HKAF CSCC[C@H](Nc1nc(-c2ccc(C(C)C)cc2)cs1)C(=O)NCC(C)C 82191866 KTGNJWGDWIAZHI-SFHVURJKSA-N 405.633 5.239 0 1 HKAF CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2Cc2ccc3ccccc3n2)cc1 84709377 JMWNWOSYPNBCHG-NRFANRHFSA-N 419.572 6.983 0 1 HKAF Clc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)c3c(ccc4ccccc34)O2)cc1 84732086 ISAFXRYACJDVPS-QHCPKHFHSA-N 404.296 7.075 0 1 HKAF CC(C)=CCC[C@]1(C)C=Cc2ccc(O)c(C(=O)CCc3cc(C=O)ccc3O)c2O1 95591595 RYSXRCNNDIODTR-AREMUKBSSA-N 420.505 5.637 0 1 HKAF COc1cc2c(cc1O)[C@@H]1C[C@H](C[C@@H]3CCCC[C@@H]31)OC(=O)/C=C\c1ccc(O)c-2c1 95913402 DRUCJGHRVXTYRK-GEWJLIBTSA-N 420.505 5.396 0 1 HKAF biogenic,in-vitro COc1ccc([C@@]2(c3cc(C(C)(C)C)ccc3O)C(=O)Nc3c2ccc(F)c3F)cc1 96937513 YLFTWMNAJHQTJY-RUZDIDTESA-N 423.459 5.263 0 1 HKAF COc1cccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3nn(-c4ccccc4)c(O)c32)c1 101709595 WOPFESRWRLEUFI-HXUWFJFHSA-N 421.456 5.136 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2ccc3ccccc3c2)C[C@H](c2ccccc2)C1 103880536 UZNICGOSLMCMQZ-IADCTJSHSA-N 416.524 7.469 0 1 HKAF CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc(Cl)cc1 103909612 VSWWSLIMDDFEGI-CQSZACIVSA-N 401.919 5.408 0 1 HKAF CC1(C)CC2=Nc3ccc4ccccc4c3[C@H](c3ccc(Br)o3)C2=C(O)C1 104099571 VUEXCBYPCICVST-QFIPXVFZSA-N 422.322 7.045 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 118937087 HXQRIQXPGMPSRW-NXHJRKGUSA-N 400.691 7.613 0 1 HKAF endogenous,in-man COc1cnc2c(NCc3coc4ccc(-c5cc(F)cc(F)c5)nc34)ccnc2c1 139977053 CZBYGZBQDNPTNT-UHFFFAOYSA-N 418.403 5.337 0 1 HKAF Cc1nc(N[C@@H](C)c2cncc(-c3ccnn3C)c2)cc(-c2ccc3occ(C)c3c2)n1 142951334 UHQFXCUVAPJFDG-INIZCTEOSA-N 424.508 5.475 0 1 HKAF O=c1sc2ccc(Cl)cc2n1CN1CCC[C@H]1c1cccc(Br)c1 169341775 MSBRLJAKHDPBQP-HNNXBMFYSA-N 423.763 5.274 0 1 HKAF O=C1N=C2/C(=C/c3cccc4ccccc34)CNC[C@@H]2[C@@H](c2cccc3ccccc23)N1 169729983 PDBATHWNPGJGIP-MTALJMOJSA-N 417.512 5.501 0 1 HKAF CC(C)N(CC[C@H](O)c1ccc2ccccc2c1)Cc1ccc(Cl)c(Cl)c1 200625480 XQODJLWIXYEXNC-QHCPKHFHSA-N 402.365 6.481 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 261156421 QASMLJURBZXYNW-GOATVGDTSA-N 401.679 6.928 0 1 HKAF O=C(Nc1ncc(Cc2ccc3ccccc3c2)s1)C12CC3CC(CC(C3)C1)C2 299856450 BYWCQYMSJIJHFH-UHFFFAOYSA-N 402.563 6.042 0 1 HKAF CCCCC1CCC(c2nc3c(Br)cnc(Br)c3[nH]2)CC1 586888904 KBJPQNFLUFCBPS-UHFFFAOYSA-N 415.173 5.947 0 1 HKAF O=Cc1ccc(OCc2occc2-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 586900779 MNRHODFYZPXYDL-UHFFFAOYSA-N 420.774 5.887 0 1 HKAF CCCCc1cc(=O)oc2cc(OCc3nc4ccc5c(c4[nH]3)CCCC5)ccc12 586917946 GIGGQEPLLPUINT-UHFFFAOYSA-N 402.494 5.470 0 1 HKAF CCOc1cc(/C=C/c2nc3ccc(SC)cc3[nH]2)cc(Br)c1OC 586975981 QRKNGIRDYSLSDD-VMPITWQZSA-N 419.344 5.625 0 1 HKAF CCCCCOc1cc2[nH]c(-c3cc(Cl)c(OC)cn3)nc2cc1Br 587064731 OPNAVPLGCZTLJW-UHFFFAOYSA-N 424.726 5.618 0 1 HKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c2)cc1 587067845 RJMIAJGTYVUTEV-UHFFFAOYSA-N 404.684 5.744 0 1 HKAF Cc1ccc(-c2cc(-c3nc4cnc5ccccc5c4[nH]3)c3cccc(Cl)c3n2)o1 587083266 LKRLIECTVYWLFF-UHFFFAOYSA-N 410.864 6.548 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587104882 WDCXWEDMZNOYGY-LJQANCHMSA-N 400.478 5.348 0 1 HKAF Cc1cc(Br)c(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1F 587138204 ZZLVKGTYLCBKRC-UHFFFAOYSA-N 411.274 6.019 0 1 HKAF COc1ccc(C(=O)c2ccccc2-c2nc3ccc4c(c3[nH]2)CCCC4)cc1F 587143628 BONSTOKIDFZURH-UHFFFAOYSA-N 400.453 5.487 0 1 HKAF C[C@]1(c2ccc(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330439 HSANPDKASVFLJP-PGRDOPGGSA-N 402.343 5.223 0 1 HKAF CC(C)[C@@H]1CCc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587353133 NYJVSFNWTDQWKX-RIACCQAKSA-N 416.492 6.004 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)Cc2sc(Cl)nc2C3)c1 587366769 QGSQMLNYVLYNAN-UHFFFAOYSA-N 418.905 6.262 0 1 HKAF Cc1ccc(-n2cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 587378208 SMNWEWMHXVFXAH-HXUWFJFHSA-N 411.299 5.145 0 1 HKAF CCOc1ccc([C@@]2(c3ccccc3Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587378771 PPVDZSUXOSGMJZ-XMMPIXPASA-N 407.897 5.538 0 1 HKAF CCCC[C@]1(c2cc(Br)ccc2F)CC(=O)c2cc(C)cc(N)c2O1 587381800 LIXGKIIOONTTMG-HXUWFJFHSA-N 406.295 5.530 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccccc4)c(C(F)(F)F)s1)[C@@H](C2)C3=O 587419631 DECAZXMUXOSUOF-MGPUTAFESA-N 416.420 5.931 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccc(C)cc4)c1)[C@@H](C2)C3=O 587443687 OZOHAGDAQCVEPB-HFZDXXHNSA-N 416.473 5.080 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(F)c(C(F)(F)F)c1F)CC2=O 587462387 QBHYIMKSHKMVPM-IBGZPJMESA-N 400.343 5.522 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1-c1ccc(F)c(C)c1)CC2=O 587468603 YPJROGYVORRJTQ-AREMUKBSSA-N 404.481 6.340 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCc1cccc(C)c1)CC2=O 587477786 GVWVXQWQTCCMHW-VWLOTQADSA-N 402.490 5.939 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](c2ccccc2O)Oc2ccccc21 587485780 JXHSFZHUBCFMPF-AOYPEHQESA-N 416.473 5.435 0 1 HKAF CC(C)C[C@@]1(Cc2ccc(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587502846 FWLNINXDDMUHFG-XMMPIXPASA-N 417.376 6.865 0 1 HKAF COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1SC(F)F 587509807 WTOKCNULMRWLQH-JOCHJYFZSA-N 404.478 5.769 0 1 HKAF CCCC[C@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510054 WCHSTDPQSGOVSC-HSZRJFAPSA-N 402.456 6.635 0 1 HKAF O=C1C[C@@H](c2cc(-c3ccccc3)n(-c3ccccc3)n2)Oc2c1ccc1c2CCCC1 587516644 UMNFQAMSADZDCS-MHZLTWQESA-N 420.512 6.125 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ccc(Cl)c1Cl 587543486 KOMQJIBMHAXTNX-OXQOHEQNSA-N 421.663 6.055 0 1 HKAF CCOc1ccc(OCC)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587594717 HZLKYDRLPQGZMQ-RDGATRHJSA-N 420.461 5.067 0 1 HKAF O=C(c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1)C1CCCC1 587604558 WUWGRHGEBBJEOM-NVQXNPDNSA-N 414.457 5.468 0 1 HKAF CC(C)c1cccc2c1OCCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607565 HYDGSFLXUFYKPX-NVQXNPDNSA-N 416.473 5.545 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccccc2)o1 587615839 HRGRIGSUXPEWGG-URXFXBBRSA-N 400.386 5.480 0 1 HKAF CCc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2ccccc12 587618920 VNJZMAIHSXYPJT-PXDATVDWSA-N 400.430 5.578 0 1 HKAF COc1c(Cl)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587692715 LNQRLWIPDQTQRB-ZKANADHPSA-N 419.121 5.527 0 1 HKAF CCCOc1ccc(Cl)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587696078 KTOKDHZGWQVAKE-NSPYISDASA-N 412.730 5.654 0 1 HKAF CC(C)C[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587703524 QSHWMMKYVYBCSL-RBZFPXEDSA-N 410.758 6.066 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccccc3nc2Cl)N1 587703752 HFTIBUFYZYTYPL-MGNBDDOMSA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccc(Cl)cc2)N1 587704096 SAMRIOYYUFKWLY-BKNWUEFHSA-N 423.757 5.095 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2C(F)(F)F)N1 587713284 SKPNUNXJDWMLQL-BTDLBPIBSA-N 402.229 5.405 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2Cc2ccccc2F)N1 587726326 IJTUKPZFKYNLME-YEJXKQKISA-N 417.297 5.201 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccccc3F)no2)N1 587728350 RWWFSODPPYJTGK-APBUJDDRSA-N 405.242 5.006 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C\c2cn(C)c3ccccc23)N1 587754557 DWWLIUPJQQODGY-ITVIXTFESA-N 413.334 5.543 0 1 HKAF C[C@H](OC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1 587795576 QZNTWFQXIKMXFX-HKZYLEAXSA-N 420.322 5.032 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC3CCCC3)c2)N1 587809267 IKLZCMQUTDANME-LRTDBIEQSA-N 404.323 5.533 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C=O)cc2)(C2CCCC2)N1 587821396 USSBPZAHNWLIRH-PEBXRYMYSA-N 416.334 5.369 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3nccs3)c2)N1 587853275 MDSPOQVYNBJAER-BBATYDOGSA-N 403.320 5.335 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1cccc(C(F)(F)F)c1 587868631 QGWQWWQIMKIKOY-UHFFFAOYSA-N 401.310 5.040 0 1 HKAF Cc1cc2c(n1C[C@H](c1cccc(Br)c1)N(C)C)CC(C)(C)CC2=O 587938794 AKYKKCXZOZCVNU-LJQANCHMSA-N 403.364 5.017 0 1 HKAF COc1ccc2c(c1)[C@](c1cccnc1OC)(c1sccc1C)N(C(C)C)CC2 962092086 MGKSCXHDNMPDEM-XMMPIXPASA-N 408.567 5.027 0 1 HKAF COc1cc2c(cc1OC)[C@H](c1ccc(-c3cccc4ccccc34)o1)N(C)[C@H](C)C2 962625297 DTQQYCCQUAAPCC-XGCWNURASA-N 413.517 6.083 0 1 HKAF CC(C)(C)[C@]1(c2ccsc2N)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962958693 PCBJMQYOJUCEKE-NRFANRHFSA-N 424.532 5.290 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1cccc(-c2ccc(C(=O)O)cc2)c1 963050648 CRISLJHZJVYTEN-HHHXNRCGSA-N 424.500 5.018 0 1 HKAF COc1cccc2cc3c(nc12)[C@](C)(c1sc(-c2ccc(C)cc2)nc1C)NCC3 963056156 LEIQPXPVJQTTJL-RUZDIDTESA-N 415.562 5.393 0 1 HKAF Brc1ccc([C@@H](OCCCc2cnc[nH]2)c2ccc3ccccc3c2)cc1 1772579512 XKAQYEAHVGQUFQ-HSZRJFAPSA-N 421.338 6.064 0 1 HKAF CCCCC/C=C\CC[C@@H](O)CCCCCCCc1nc(-c2cccc(O)c2)n[nH]1 1857631848 XDORGTCXXJPAKO-IOOHMRRSSA-N 413.606 6.338 0 1 HKAF O=C(NCCc1ccccc1)c1c(O)nc2ccc(Cl)cc2c1-c1ccccc1 1857652770 YEQJVXUTKMPFRL-UHFFFAOYSA-N 402.881 5.233 0 1 HKAF CC1(C)C(=O)CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H]5CCC(=O)C(C)(C)[C@@H]5CC[C@]4(C)CC3=CC[C@H]12 2356405906 HYPYJVALUQPMIH-HHKCPPSGSA-N 424.669 7.166 0 1 HKAF CC(C)=CCCC(C)=CCc1cc([C@@H]2COc3cc(O)ccc3C2=O)c(O)cc1O 2356431216 HGFVLVLDRQUNFD-NRFANRHFSA-N 408.494 5.398 0 1 HKAF CC(C)=CCC[C@]12[C@H](O)CC[C@H](C)[C@]1(C)CC[C@@](C)(O)[C@@H]2Cc1c[nH]c2ccccc12 2356528737 GFSPEIJDKJGERO-NTFJMXLNSA-N 423.641 6.401 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(O)C=C[C@@]2(O)C[C@@H](O)CC[C@]12C 2356628365 PZFKMXUOAPXMRJ-PXADIBECSA-N 418.662 5.474 0 1 HKAF CC(=CCCC1=CC(=O)O[C@@H]1O)CC=C[C@@](C)(O)CCC1=C(C)CCCC1(C)C 2356658119 GSUNQYAOGZKXEY-UKILVPOCSA-N 402.575 5.519 0 1 HKAF CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F 4207489 ZUFXTWXMXCBQMX-PKOBYXMFSA-N 409.288 5.141 0 1 HKAF CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214097 LREMEYPTUKLECW-ONTLXTELSA-N 414.590 5.244 0 1 HKAF COc1ccc2c3c1CCC[C@@]3(CCCCN1CC=C(c3ccccc3)CC1)C(=O)N2 13473719 NQOHJWWGDGNCFS-HHHXNRCGSA-N 416.565 5.181 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1ccc(C(F)(F)F)cc1)Oc1ccccc1-3 13777107 NRCVRALBQJXGMB-XMMPIXPASA-N 421.462 7.462 0 1 HKAF CC(C)=CCc1cc([C@@H]2CC(=O)c3c(cc4c(c3O)C=CC(C)(C)O4)O2)ccc1O 14637339 PUUPPHKALYHDRS-FQEVSTJZSA-N 406.478 5.497 0 1 HKAF biogenic COc1c(O)cc(O)cc1C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C 14764770 IYYFMQHGUZBMKD-MLAGYPMBSA-N 412.614 7.795 0 1 HKAF endogenous,in-man CC(C)=CCc1c(O)cc(O)c2c1O[C@@H](c1ccc3c(c1)CCC(C)(C)O3)CC2=O 15205967 UUJGHXKKHDPLPR-JOCHJYFZSA-N 408.494 5.417 0 1 HKAF biogenic Clc1ccc(C2=C[C@H]3CC[C@@H](C2)N3CCOc2cccc3[nH]ccc23)cc1Cl 28372461 VQOZKEVLIXCLAX-MSOLQXFVSA-N 413.348 6.174 0 1 HKAF CCOC(=O)C[C@H](C)CCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1 28821619 HVASTZWHTVRDNH-OAQYLSRUSA-N 418.581 6.675 0 1 HKAF COc1cc(O)cc(O)c1C(=O)[C@@H]1CC=C(C)[C@@H](CC=C(C)C)[C@H]1c1ccccc1 28964652 MFPMXYUSFDUYRN-PQNGQFLHSA-N 406.522 6.012 0 1 HKAF biogenic CCCOc1c(OCCC)c(OC(=O)CC)c2cc(Cl)ccc2c1OC(=O)CC 29312588 WVDNOFLNZNLFSA-UHFFFAOYSA-N 422.905 5.702 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC(=O)N(C)C1=C[C@@H]3C 35817646 FAGYSQSLIMHWHR-RINUANCUSA-N 413.690 7.300 0 1 HKAF O=C(CSc1snnc1-c1ccc(Cl)cc1Cl)Nc1ccccc1F 40412743 ZDGFAUSUKLUTSI-UHFFFAOYSA-N 414.314 5.382 0 1 HKAF CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc(Cl)c1 40846475 ZVNNKUFFTRPBIR-BSDZUQITSA-N 419.956 6.960 0 1 HKAF COc1nc2ccc(Br)cc2cc1[C@H](Nc1ccccn1)c1ccccc1 40892500 HVGTYNHJGJLMSM-OAQYLSRUSA-N 420.310 5.602 0 1 HKAF N=C(N)C1(C(=O)Nc2ccc(CCCCCCCCCc3ccccc3)cc2)CC1 71294876 XOPQNCUKMOHSJZ-UHFFFAOYSA-N 405.586 5.857 0 1 HKAF CCOc1ccccc1CNc1cc(Oc2ccc(OC)c3ccccc23)ncn1 82068406 BPYSOJUOAFCKSW-UHFFFAOYSA-N 401.466 5.442 0 1 HKAF CCCCCc1nc(-c2cnc(N3CCC(C)CC3)nc2-c2ccc(F)cc2)oc1C 82164672 NUOPLIWUVMSCJT-UHFFFAOYSA-N 422.548 6.215 0 1 HKAF Cc1ccccc1-c1cccc([C@@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 96269873 SWOJTKFMLGCXAD-KOSHJBKYSA-N 402.446 5.125 0 1 HKAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3ccc(-c4ccccc4)cc3CC[C@@H]21 100620828 UQCDAZDJARDVHH-BDYUSTAISA-N 406.529 5.947 0 1 HKAF Fc1ccc(N2CCN(CC[C@H]3CC[C@H](c4c[nH]c5ccccc54)CC3)CC2)cc1 100788570 YWTJNSVGZBZMGU-OYRHEFFESA-N 405.561 5.793 0 1 HKAF O[C@H](COc1cccc2[nH]ccc12)CN1[C@H]2C=C(c3ccc4ccccc4c3)C[C@H]1CC2 101017410 ZECABFDWVHQCGW-SDHSZQHLSA-N 424.544 5.381 0 1 HKAF COc1ccc(Br)cc1[C@H]1C2=C(O)CCCC2=Nc2nc3ccccc3n21 103539428 QPPABQXOTDCQST-FQEVSTJZSA-N 424.298 5.479 0 1 HKAF CC(C)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3cc4c(cc32)OCCO4)cc1 103889911 XJJZWQAMTIKYTF-DEOSSOPVSA-N 403.522 6.431 0 1 HKAF CCOC(=O)c1cccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12 113654894 JHQZYACKMYYVOI-UHFFFAOYSA-N 411.505 5.183 0 1 HKAF CCOc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)c(C(F)(F)F)c2)cc1Cl 116230601 QBGYZBJDXAKWHC-UHFFFAOYSA-N 422.186 5.361 0 1 HKAF O=C1CCC[C@H](c2c(Cl)cccc2Cl)N1Cc1ccc(OC(F)(F)F)cc1 166894408 HTPVNCQWSJTLML-MRXNPFEDSA-N 418.242 6.146 0 1 HKAF C(=C/c1cncnc1-c1ccc(-c2ccccc2)s1)\c1ccc(-c2ccccc2)cc1 169328333 ZBTHZGHKQUAWBM-DTQAZKPQSA-N 416.549 7.710 0 1 HKAF COc1ccccc1[C@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(O)cc1 169344013 LPUQWNJVLYEPBX-MQSCRBSSSA-N 422.481 5.246 0 1 HKAF CC(C)N(C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 169370085 AEWWFKWBCCJQAS-SBBXWAFZSA-N 414.634 5.237 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C\CC[C@]1(C)CCc2c(cc(C)c(O)c2C)O1 201704946 KNOLXXFWGWYXEX-WLJDUOTLSA-N 410.642 8.292 0 1 HKAF COc1ccc(NC(=O)NCCCCCCCCCCCCCCCC(=O)O)cc1 209428814 QMAMSVIEZUMJHL-UHFFFAOYSA-N 420.594 6.363 0 1 HKAF C/C(=C/CC/C(C)=C/Cc1c(O)c(Cl)c(C)c(C=O)c1O)[C@H]1CC(=O)C(C)(C)O1 238764084 VGYPZLGWVQQOST-FZZSZUGMSA-N 420.933 5.224 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@@]5(C)[C@H]4CC[C@]32C)O[C@@]12CC[C@@H](C)CN2 255282620 XYNPYHXGMWJBLV-KGYCUFLTSA-N 415.662 5.367 0 1 HKAF COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2c[nH]c3ccccc23)C[C@@H]1C 299878708 JOYFTIBCCGDFHM-JYYJXNPCSA-N 401.466 5.048 0 1 HKAF CSc1cccc(N=c2[nH]c(-c3cc(Cl)cc(OC(F)(F)F)c3)cs2)c1 473089053 QPEQPXNIYOCGSK-UHFFFAOYSA-N 416.877 6.250 0 1 HKAF COc1cc(C(=O)c2ccc(C)cc2)cc(OC)c1-c1cc(Cl)cc(Cl)c1 473109163 QENRHZNVLOPMDR-UHFFFAOYSA-N 401.289 6.217 0 1 HKAF Oc1c(-c2ccccc2)cccc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586897016 VFVFBANHDKXUIC-UHFFFAOYSA-N 405.326 5.652 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(-c4cccc5c4OCC5(C)C)[nH]c3c2)cc1 586912051 PHPVJLCKSCOFJB-UHFFFAOYSA-N 414.461 5.479 0 1 HKAF CCc1c(-c2ccc(Cl)c(Cl)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586992572 HNSBLPGXCHVAAP-UHFFFAOYSA-N 418.323 7.291 0 1 HKAF Fc1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c1F 586999310 YTOIYZOGGXWQKI-UHFFFAOYSA-N 415.237 5.850 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(C(C)(C)C)cc2[nH]1 587035171 PIPJLMWHLKQBAL-SFHVURJKSA-N 405.567 6.346 0 1 HKAF Clc1cccc2c(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cc(-c3ccccc3)nc12 587082983 XYTBTADMGUKZEB-UHFFFAOYSA-N 423.867 5.074 0 1 HKAF FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587088062 IJRUBTRXXBDGBW-QMMMGPOBSA-N 410.184 5.094 0 1 HKAF O=C(O)CCOc1ccc(CCc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587106683 MWSKRXHZXFXDGZ-UHFFFAOYSA-N 423.468 5.085 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Cl)c(F)cc3[nH]2)c(Cl)c1 587158691 KCLXFINLRXNBBU-IBGZPJMESA-N 405.231 6.316 0 1 HKAF Nc1ccc(/C=C\c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)cc1 587251888 QEZKSCRHDQQLOC-MLPAPPSSSA-N 422.410 5.587 0 1 HKAF COc1cccc(-c2cc(-c3cc4c(s3)CCCC4)nc3c2oc2ccccc23)c1 587366140 KFOMOEDWOUQSFJ-UHFFFAOYSA-N 411.526 7.264 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccc(Br)c3)cc1)O2 587371204 JGMNGJZKFVNEDJ-NRFANRHFSA-N 408.295 5.713 0 1 HKAF COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCc1cccc(Cl)c1 587375932 AXCYFSFULFTYGS-QFIPXVFZSA-N 423.896 5.525 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cccc1NC(=O)OC(C)(C)C)O2 587377888 ZUHZHLUMSJFXDD-KRWDZBQOSA-N 402.878 5.284 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(C(c1ccccc1)c1ccccc1)O2 587387945 VBJMQFAWRJHIIT-RTHBMQBDSA-N 412.533 5.189 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1ccccn1)(c1ccc(Cl)cc1)CC2=O 587459313 CLFRRTHMOXERND-DEOSSOPVSA-N 407.897 5.497 0 1 HKAF CCCOc1cc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587505979 MXFNUFVBCUDORV-FQEVSTJZSA-N 400.902 5.723 0 1 HKAF CC[C@@]1(c2c(C)n(CC(=O)O)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587515135 JNJNWHYVFAHEIF-SANMLTNESA-N 417.505 5.184 0 1 HKAF Nc1sc2c(c1[C@@]1(c3ccccc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 587534222 BVLCULFKYYNHCQ-SANMLTNESA-N 415.558 5.607 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(Cl)c1Cl 587544648 NDZDZNCVSNRAOE-YWZLYKJASA-N 403.217 5.108 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cc1OCC1CC1 587570062 ULYCWOULGHQLND-URXFXBBRSA-N 406.409 5.023 0 1 HKAF C[C@]1(c2ccc(N3CCCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596534 RQEMNZKVCCUUMR-ZEQKJWHPSA-N 415.489 5.260 0 1 HKAF O=C(O)CCCc1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622996 WCFHARMLTAYLDQ-UHFFFAOYSA-N 416.250 5.020 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(Cl)cc1Cl 587654588 VJDIFFDJMBRDOU-UHFFFAOYSA-N 403.215 5.638 0 1 HKAF CCN(CC)c1ccc(-c2nn(-c3cccc(Cl)c3)c(=O)c3ccccc23)c(O)c1 587664471 DFTNEOBUYSBDTR-UHFFFAOYSA-N 419.912 5.258 0 1 HKAF CCOc1ccc(-c2nn(Cc3ccccc3F)c(=O)c3ccccc23)cc1OCC 587668551 AAGLVXALMAYOIA-UHFFFAOYSA-N 418.468 5.048 0 1 HKAF Cc1ccc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc2c1 587704589 JRWMHZCIRFEQIA-JEOXALJRSA-N 419.725 5.722 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cccc(F)c2)N1 587727864 CDXSIQCPJDZSSC-ODXCJYRJSA-N 403.270 5.142 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(F)c2)N1 587728897 GCAUPYXLAJKCRC-RCDICMHDSA-N 414.293 5.553 0 1 HKAF Cc1cc(F)ccc1-c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587730031 ICVCDFLCLTYRDC-LAJNKCICSA-N 418.281 5.919 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccc(F)cc3)on2)N1 587730956 GEZWYMYRSCXVQF-GIGQVBGESA-N 405.242 5.006 0 1 HKAF Cc1cc(C)c2nc(O)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587777477 IEHGTXQOBYETHF-YUNKPMOVSA-N 415.306 5.082 0 1 HKAF CCc1ccc(-c2c[nH]nc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587791486 FZAGQIPKUBGMRK-GTJPDFRWSA-N 414.322 5.164 0 1 HKAF CCC1CCC(C2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)CC1 587817508 LHRKDLHMSLQYST-SCUMNGBJSA-N 422.426 6.724 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(ccc4ccccc43)o2)N1 587835693 XRYTYASDWUPGRH-JCQPUDPBSA-N 424.313 6.285 0 1 HKAF Cc1c(Br)csc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587844537 OEHOIHWFYKQYNB-JKYUHCHBSA-N 419.157 5.344 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3cccs3)cs2)N1 587851740 IZMAGPQOWASJCI-XTZNXHDOSA-N 408.361 6.002 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCSc3c(Cl)cccc32)N1 587857104 KCAOSRJYUWIXNZ-YPMLDQLKSA-N 412.755 5.515 0 1 HKAF COc1ccccc1[C@]1(c2cccc(C(F)(F)F)c2)NCCc2ccc(F)c(C)c21 962297063 HYBLVAURPCTUPF-QHCPKHFHSA-N 415.430 5.599 0 1 HKAF COc1cc([C@@]2(C)c3ccsc3CCN2Cc2cccn2C)ccc1OC(F)F 962373457 MFMRWEAYGAGQDE-QFIPXVFZSA-N 418.509 5.018 0 1 HKAF CC(C)c1ccc([C@@]2(c3cccnc3)NCCc3cc(-c4ccccc4)ccc32)cc1 962676296 YQGJCVVQUXABQI-LJAQVGFWSA-N 404.557 6.310 0 1 HKAF CC(C)c1nn(C)c2c1[C@]1(C=C(c3ccc(Cl)cc3)Oc3ccccc31)NCC2 962916872 XLSWVJRWYWPGEM-XMMPIXPASA-N 405.929 5.020 0 1 HKAF C[C@]1(c2cccc(-c3cccc(CC(=O)O)c3)c2)c2c(F)cccc2C[C@@H]2CCCN21 963114724 WKZQGSJOZNCCEK-HOFKKMOUSA-N 415.508 5.404 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCc1ccc(F)cc1)c1cccc(C)c1 963244932 YELOAYCTEYFINN-DFHRPNOPSA-N 401.569 6.667 0 1 HKAF CN(C(=O)[C@@H]1CCCN(C(=O)c2cccc(-c3ccco3)c2)C1)c1ccc(Cl)cc1 1772654945 NAFNEPPYASMXFQ-LJQANCHMSA-N 422.912 5.115 0 1 HKAF CCOC(=O)COc1ccc2ccn(CCCOc3cc(C)c(Cl)c(C)c3)c2c1 1772657560 SROGWNFOMIJWLG-UHFFFAOYSA-N 415.917 5.323 0 1 HKAF Oc1cccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c2Cc2cccc(O)c2-3)c1 1857611071 SLSOYGSVLKLJGI-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF O=C(O)c1cc(-c2cn(Cc3ccc(F)cc3)cc2-c2ccc3ccccc3c2)[nH]n1 1911586148 WMZMWGPKIHVJKC-UHFFFAOYSA-N 411.436 5.584 0 1 HKAF CC(C)=CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356398588 WMXFLZHWFZIIBF-KDMJKWHNSA-N 424.713 8.543 0 1 HKAF CC(C)=CCC[C@H](C)[C@H]1C[C@H](C)[C@H]2[C@@H]3CC[C@H]4C(C)(C)CCC[C@@]45C[C@]35CC[C@@]21C 2356551991 YWQSXCGKJDUYTL-KZJGSLJQSA-N 410.730 9.054 0 1 HKAF C[C@@H]1c2ccoc2C[C@@H]2[C@@H]1CC[C@]1(O)C(C)(C)[C@H](OC(=O)c3ccccc3)CC[C@@]21C 2356584492 GHDYDSFLVJFLBO-CSDBBDDXSA-N 422.565 5.748 0 1 HKAF CCc1oc(-c2ccccc2)nc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12 593306 GCHRLYTWUNUADL-UHFFFAOYSA-N 420.465 5.072 0 1 HKAF CCCc1nn(C)c(CCC(=O)N(Cc2ccccc2)Cc2ccccc2)c1CC 1616835 SCSPTDHDSPBXHJ-UHFFFAOYSA-N 403.570 5.097 0 1 HKAF COC(=O)[C@]1(Cc2ccc3ccccc3c2)CCCCCCN1C(=O)c1ccccc1 1636049 BHBPEOMTJUUWBV-HHHXNRCGSA-N 415.533 5.401 0 1 HKAF CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2509539 BVVFRHKBULZQCQ-JTZSGGAKSA-N 414.718 8.313 0 1 HKAF biogenic Cc1ccc2cc3cc(C(=O)NC4CCN(Cc5ccccc5)CC4)sc3nc2c1 4886180 PHGFOQSMJHAYPP-UHFFFAOYSA-N 415.562 5.152 0 1 HKAF c1ccc2c(c1)N=C(c1cccc3ccccc13)C[C@@H](c1ccc3c(c1)OCO3)S2 5810707 JTOZVFYVXSCPIW-SANMLTNESA-N 409.510 6.926 0 1 HKAF CCN1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 8590080 ADBFSCPXCVYNDU-UHFFFAOYSA-N 423.454 5.363 0 1 HKAF CNc1cc(Nc2nc3ccc(C(=O)Nc4c(C)cccc4Cl)cc3s2)ncn1 13536641 LRJOPQDEHYLGQF-UHFFFAOYSA-N 424.917 5.086 0 1 HKAF CN(C(=O)Nc1cnc2ccc(Cl)cc2c1-c1ccccc1)c1ccc(F)cc1F 13737641 LQHCGSRCNSZXLL-UHFFFAOYSA-N 423.850 6.502 0 1 HKAF C[C@H](c1cccnc1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 13738231 GGZAITKMWJGLGW-GOSISDBHSA-N 415.968 5.888 0 1 HKAF CC(C)=CCc1cc2c(c(CC=C(C)C)c1O)O[C@H](c1ccc3c(c1)OCO3)CC2=O 14780767 VRZNNJMFRSHNKF-QHCPKHFHSA-N 420.505 5.845 0 1 HKAF biogenic CC1(C)C=Cc2c(cc3c(c2O)[C@@H]2Oc4c(ccc5c4CCC(C)(C)O5)[C@@H]2CO3)O1 15251907 FOPGCVXFFKCRHR-QMHKHESXSA-N 406.478 5.290 0 1 HKAF biogenic CC(C)(C)c1ccc(Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)cc1 27769556 JSKMWYPPGAYENT-UHFFFAOYSA-N 416.396 6.156 0 1 HKAF O=C(NC1CCCCC1)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(F)cc2F)n1 28702461 ZYYKELJLRCODDX-UHFFFAOYSA-N 415.871 5.533 0 1 HKAF COc1cccc2c(-c3ccc4c(c3OC(C)C)[C@@H](C)N[C@H](C)C4)c(C)cc(OC)c12 39163485 GEUZWASUMSPZGV-QZTJIDSGSA-N 419.565 6.215 0 1 HKAF CC1=C(c2nc3ccccc3n2C)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 45288814 WKMMAERHZAQFCS-HXUWFJFHSA-N 410.308 5.523 0 1 HKAF CC1=C[C@@H](COc2ccccc2)O[C@]2(C1)C(=O)N(Cc1ccccc1)c1ccccc12 66148968 JEFAFCFJFXXLPZ-HOFKKMOUSA-N 411.501 5.243 0 1 HKAF CCCN(CC1CC1)c1nc(NC2CCCCC2)nc(Oc2ccc(OC)cc2)n1 82066472 PBTAZBDPUMKZCG-UHFFFAOYSA-N 411.550 5.044 0 1 HKAF CCCCNc1ncc(C(=O)N2CCCCC2)c(-c2ccc(-c3ccccc3)cc2)n1 82154033 PUMGLMYGMVOIBY-UHFFFAOYSA-N 414.553 5.649 0 1 HKAF CN(C)Cc1cccc(-c2ccc3c(-c4cccc(-c5ccccc5)c4)cccc3c2)c1 95603897 TUWMXRYWASQNRU-UHFFFAOYSA-N 413.564 7.902 0 1 HKAF Cc1ccc([C@@H](O)CCc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1 96258434 OWZUEHFSTPUFRE-QFIPXVFZSA-N 406.522 5.727 0 1 HKAF Brc1ccc(C2=NO[C@H](c3ccc(OCc4ccccc4)cc3)C2)cc1 103293307 LHTJEPDGCHPGPJ-QFIPXVFZSA-N 408.295 5.894 0 1 HKAF CC[C@H]1CCCCN1c1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cc1COC 118839490 PHGLJQQHANRKFV-IBGZPJMESA-N 417.513 5.195 0 1 HKAF CC(=O)Nc1cncc(C2=CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)c1 141038165 HQQWEQBUIUGYGZ-UBUQANBQSA-N 406.570 5.357 0 1 HKAF C[C@@H](CCC[C@H](C)CC(=O)Nc1ccc(O)cc1)CC[C@@H]1[C@@H](C)CCCC1(C)C 169307639 UUDJTOPCDKTLHE-IBPRQYQWSA-N 401.635 7.406 0 1 HKAF c1ccc(COc2ccc3[nH]c4c(c3c2)C[C@@H]2c3cc5c(cc3CCN2C4)OCO5)cc1 209376398 HLPRSACEXBYGBY-RUZDIDTESA-N 424.500 5.131 0 1 HKAF CC(C)C1=C(C[C@@H](C)[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H]1C 255228612 LTSPMIHIWVJPLS-BTZBWVEISA-N 412.702 7.635 0 1 HKAF CC(=O)O[C@]1(C)Cc2occ3c2[C@@H]1C[C@@]1(C)CC[C@@]2(O[C@@H](C=C(C)C)C[C@@H]2C)[C@@H]1C=C3 473135773 KRXWFEHKJXFXPV-LJSBHMTRSA-N 424.581 6.204 0 1 HKAF Cc1ccc2c3c(cc(-c4cnn(-c5ccc(F)cc5)c4C)nc13)-c1ccccc1C2=O 586994700 CNKABAKCQCWMMU-UHFFFAOYSA-N 419.459 6.055 0 1 HKAF Cc1nc(C2CC2)sc1-c1nc2c(Br)ccc(Br)c2[nH]1 587012676 RGWDIGIBFBBJPN-UHFFFAOYSA-N 413.138 5.397 0 1 HKAF CC(=O)c1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 587070532 HQPPNJHNFUFTEO-GOSISDBHSA-N 413.905 5.227 0 1 HKAF Fc1c(F)c(F)c2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1F 587081943 ZBIJOPLRDFNYJT-UHFFFAOYSA-N 417.753 5.149 0 1 HKAF CC(=O)[C@H](C/C=C\c1ccccc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587100066 ZJIYGDYSZNRZHJ-OMCJBDSBSA-N 417.508 6.531 0 1 HKAF CC(C)Oc1cc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2cc1Br 587111354 FQJYXQOXZPZPTR-UHFFFAOYSA-N 402.214 5.137 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)c5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@@H]1CCC2=O 587215760 UQJGGKPASUUTLV-JLPRXCQISA-N 413.561 5.500 0 1 HKAF COc1ccccc1Nc1ccccc1-c1nc2cc(Br)c(C)nc2[nH]1 587240708 IBEXNVIJLYIDOE-UHFFFAOYSA-N 409.287 5.448 0 1 HKAF CC[C@]1(c2cc(C(=O)O)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329929 FWRFUJDMOTUBLX-XUZZJYLKSA-N 424.399 5.033 0 1 HKAF C[C@@]1(COc2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337018 UOKUKMWGVMYFNF-GGAORHGYSA-N 414.379 5.006 0 1 HKAF CN(C)/C=C\[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337470 RRGYDCAQFAFJRT-BNAJAPCBSA-N 421.443 5.000 0 1 HKAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cccc(Cl)c1 587379192 TWDHAWYSISSLJN-JOCHJYFZSA-N 423.896 5.525 0 1 HKAF COc1cc(OC)cc(Oc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c1 587399862 NBVJVMSJVNFYBB-HSZRJFAPSA-N 405.450 5.093 0 1 HKAF COc1cccc(Sc2ccccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587449807 CYFYUHOSWKBENI-DVECYGJZSA-N 404.487 5.344 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(O)cc1)(c1ccc(Cl)cc1)CC2=O 587458710 BPVCLKOYVFGGOW-XMMPIXPASA-N 408.881 5.613 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](COCC(F)(F)F)(c1ccc(C)cc1)CC2=O 587460217 HDNUAYNGTXQSFB-NRFANRHFSA-N 408.416 5.093 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3noc(-c4ccc(C)cc4)c3c1)CC2=O 587481720 HMCYVHVCYHOFLQ-DEOSSOPVSA-N 413.473 6.168 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1sc(N3CCCCC3)nc1Cl)CC2=O 587493438 HKWJMWHDCSCFOW-INIZCTEOSA-N 406.935 5.151 0 1 HKAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OCc2cccnc2)c1 587516288 VKEAMEZHEIHPQX-RUZDIDTESA-N 415.489 5.255 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cc(Cl)cc1Cl 587540730 BMSQJWGCAYWGAO-PXNSSMCTSA-N 421.663 6.055 0 1 HKAF C[C@@]1(c2cc(Cl)c(N)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545288 OOGBWNMUXGEYOS-UWJYYQICSA-N 416.260 5.158 0 1 HKAF CCCCn1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccccc21 587576677 KDLJVWXNSFHBJF-URXFXBBRSA-N 414.461 5.245 0 1 HKAF CCOC(=O)c1c(-c2cc(F)c(Cl)nc2Cl)[nH]c2c(C)cc(Cl)cc12 587624784 RJDHSQWYYURODW-UHFFFAOYSA-N 401.652 5.814 0 1 HKAF CCc1cccc2sc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nc12 587661191 KVMXELKHDGJKOD-UHFFFAOYSA-N 401.466 5.364 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCc3ccc(Cl)cc32)N1 587703244 XNROEFHMIWUARZ-ODXCJYRJSA-N 408.742 5.746 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(Cl)nccc3c2)N1 587706972 UAMSFFFTODREOL-MGNBDDOMSA-N 405.698 5.413 0 1 HKAF COc1ccc(C(F)(F)F)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587712048 NEKFVUHGRQTSBK-HUTHGQBESA-N 418.228 5.239 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCC(F)(F)F)N1 587712666 QEXCVSDNUHTPCH-DYZYQPBXSA-N 418.228 5.153 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC(F)(F)F)c2)N1 587724020 YVWVWJSNKHKKQJ-XXFAHNHDSA-N 404.201 5.110 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccccn3)cc2)N1 587771485 LWLFWXHKVJHJDW-ZSEKCTLFSA-N 413.290 5.399 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC2CCCCC2)(c2ncccn2)N1 587771752 CREPWJMKCGPQQK-LHSJRXKWSA-N 418.354 5.126 0 1 HKAF CCOc1ccc2nc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 587780279 ZVBKRGIXNUMORO-GTJPDFRWSA-N 415.306 5.159 0 1 HKAF COc1cccc(C)c1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587787056 PVOPQGUFGPADPH-UHFFFAOYSA-N 401.182 5.208 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2ccccc2)(c2ccccc2)N1 587816085 TYDUKZIDIPXECN-NPMXOYFQSA-N 424.313 5.249 0 1 HKAF CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C/[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587816456 YLHGRKAKEWKVQN-COZNLAKVSA-N 420.410 6.522 0 1 HKAF CCCCCc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587816461 YLKSHLDNKNPTDM-OYHNWAKOSA-N 404.367 6.119 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C=C(c2ccccc2)c2ccccc2)N1 587818739 JBMXOVAFPGOPFQ-FYSMJZIKSA-N 422.341 6.295 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3cc(O)ccc3c2)N1 587832875 KZHQXJAMEIKFOF-QKVFXAPYSA-N 400.291 5.245 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2oc2ccccc23)N1 587834723 SCTCCDRKYLSUPR-GTJPDFRWSA-N 410.286 6.111 0 1 HKAF Cc1ccc(-c2ncc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)o1 587853264 LTQOFMPAUGPMQV-HUTHGQBESA-N 407.308 5.237 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1cccc(C)c1C 587862247 JHNFIEJUGNNLCC-OAHLLOKOSA-N 418.415 5.302 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(C(C)C)cc1 587862622 SBGWMOPFIUHZKU-UHFFFAOYSA-N 418.415 5.420 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=N)c1ccc(Cl)c(Cl)c1 587866530 FUFMJQXGMQVHEV-UHFFFAOYSA-N 415.202 5.153 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1ccc(Cl)cc1Cl 587866571 GMIFRBDRWGXDJZ-UHFFFAOYSA-N 402.203 5.328 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(C)cc2[nH]1 587958822 IHJZYULPYOVUBQ-XKPMTSFDSA-N 416.653 8.726 0 1 HKAF CCCCOc1cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2cc1Br 587968393 BTYDCDUHTUOALI-OXAAKOFDSA-N 417.347 5.151 0 1 HKAF Clc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc(-c3ccccc3)nn2)cc1 653710297 QCBKZLGVOWDCFS-XMMPIXPASA-N 410.908 6.153 0 1 HKAF CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)C1 653822842 QZPNDBVWPFDCQL-IBGZPJMESA-N 415.921 5.166 0 1 HKAF Cc1ccc(-c2cnc([C@H]3c4ccsc4CCN3Cc3cccn3C)o2)cc1C 962398348 MZIQQGWBHYTNFZ-HSZRJFAPSA-N 403.551 5.506 0 1 HKAF COc1cc2c(cc1OC)[C@](c1ccsc1)(c1c(C)cccc1C)N(C)[C@@H](C)C2 962619515 FKGBUZCYCIBKBZ-AVRWGWEMSA-N 407.579 5.550 0 1 HKAF C[C@@]1(c2ccc(Oc3cnccn3)cc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962696981 HILJXAZZYDVROT-HOYKHHGWSA-N 421.541 5.035 0 1 HKAF Cc1cc(C)cc([C@]2(CCc3ccc(F)cc3)c3ccsc3CCN2C(N)=O)c1 962715635 SGRBVTGQJAMVSU-XMMPIXPASA-N 408.542 5.317 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2cccc(OC)n2)(c2ccc(C)cc2C)N1 962958138 OSXFUUMCBGBDAE-WINIVTDRSA-N 411.549 5.405 0 1 HKAF COc1cccc([C@]2(c3cncc4ccccc34)NCCc3c2sc(C)c3C)c1 963007105 GMJADWZJRYBFDE-RUZDIDTESA-N 400.547 5.359 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1cccc(Cl)c1Cl)C(F)(F)F 963231129 QAGVUNBMQRACQX-YJYMSZOUSA-N 402.287 6.456 0 1 HKAF Cc1nc(-c2ccc([C@@H]3c4cccc(Br)c4CCN3C)s2)cs1 963281614 SSLFSWORQNQVGX-SFHVURJKSA-N 405.386 5.520 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(c5nn(C)cc5C=O)[C@@]4(C)CC[C@@H]32)C1 1772614713 JIXOTMWRDZPOAU-BNCSLUSBSA-N 422.569 5.120 0 1 HKAF CC(=CC[C@H](O)C1=CC(=O)OC1)CCC=C(C)CCC1=C(C)CCC(=O)C1(C)C 2356535812 AWUVHJURSARGNS-QFIPXVFZSA-N 400.559 5.379 0 1 HKAF CC(=CCC[C@@H](C)C[C@@H]1OC(=O)C(C)=C1O)CCC=C(C)CCCc1ccoc1 2356623698 KMWTVCMTGSLJFU-OFNKIYASSA-N 400.559 6.839 0 1 HKAF C[C@H](C1=NC[C@@H](C)C(=O)C1)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356660760 SSNUZXQLURLLKP-UCLUWGMXSA-N 411.630 5.612 0 1 HKAF O[C@H]1CN2CCCC=CCCCCCC3=C[C@H]4CN5CCCCC=CCC[C@@](C2)([C@@H]14)[C@@H]35 2356697510 SVFQETJDDGVUQV-UZSVIBPSSA-N 424.673 5.327 0 1 HKAF COc1cc(-c2coc3c(C(=O)NCc4cccc(Cl)c4)cccc23)ccc1O 61898648 DVVPUGAEVSISCJ-UHFFFAOYSA-N 407.853 5.397 0 3 HKAF COc1ccc(-c2noc(-c3ccsc3)c2C(=O)NCCc2ccccc2F)cc1 774351 GGKWOSTTXHRRHU-UHFFFAOYSA-N 422.481 5.190 0 1 HKAF CC[C@H](O)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(C(C)C)cc1 774634 MTXHLJONTGLMSF-KRWDZBQOSA-N 412.917 5.286 0 1 HKAF CC(C)[C@H](C)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cccc2ccccc12 2481875 CNKHEHQWBZRUKS-INIZCTEOSA-N 418.924 6.590 0 1 HKAF COc1ccc(F)cc1-c1csc(-c2ccc(NC(=O)c3cccs3)cc2)n1 12770815 GHXQAJISMLWWOZ-UHFFFAOYSA-N 410.495 5.939 0 1 HKAF CCCCC1=C(C(=O)O)[C@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21 13473452 GOMOLLUWOMVWFU-QHCPKHFHSA-N 410.466 5.365 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)ccc2c1OC[C@@H]1c3cc4c(cc3O[C@H]21)OCO4 14614045 MNVKKIZBXXYHDP-MWZUCSFSSA-N 420.505 5.966 0 1 HKAF CC(=O)O[C@@H]1C[C@]2(C)CC(c3ccc(C)c(O)c3)=CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@@H]12 14718293 CCXWTNLPPHXPFG-XCYZDHOTSA-N 410.598 6.668 0 1 HKAF biogenic CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@@H](C)C=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 27304269 FAGYSQSLIMHWHR-OZMSBOPCSA-N 413.690 7.300 0 1 HKAF FC(F)(F)c1cnc(Nc2ccc3[nH]cnc3c2)nc1Oc1ccc(Cl)cc1 28521103 WURCWKFIZKHYDK-UHFFFAOYSA-N 405.767 5.561 0 1 HKAF O=C(O)c1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F 28710977 WGDBSFCTDROKSJ-UHFFFAOYSA-N 400.331 5.006 0 1 HKAF CCCCCn1cc(C(=O)NC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)c(=O)c2ncccc21 28864727 CTDUCEQBFQKBBS-WNPZUFKQSA-N 421.585 5.066 0 1 HKAF C[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3[C@]23CCN(CC2CC2)[C@@H](C4)[C@@H]13 29398822 KVTPARWKGZYKAU-WXAJBKJJSA-N 412.533 5.019 0 1 HKAF OCc1cc([C@@H](O)CNCCCCCCCCCCCc2ccccc2)ccc1O 38838819 BTXKYSQDHVLOQY-SANMLTNESA-N 413.602 5.261 0 1 HKAF CC(=O)c1c(Nc2cccc(C(F)(F)F)c2)[nH]c2c(Cl)c(Cl)ccc2c1=O 40421898 GBNSLGQIFOFHPH-UHFFFAOYSA-N 415.198 5.800 0 1 HKAF Clc1ccc([C@@H]2CC3(N4CCCC4)CCNC2[C@@H](c2ccc(Cl)cc2)C3)cc1 40762679 PDEIXHJAKUQXOA-KFGJODCASA-N 415.408 5.851 0 1 HKAF Oc1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1 45365686 IGICQJPCPUZJJR-UHFFFAOYSA-N 423.419 5.159 0 1 HKAF CCCCNc1ncc(C(=O)N(CC)Cc2ccccc2)c(-c2ccc(F)cc2)n1 82141372 CIFWUUHYAQRFTE-UHFFFAOYSA-N 406.505 5.157 0 1 HKAF CCc1cnc(-c2cnc(NCCc3ccc(C)cc3)nc2-c2ccccc2)s1 82163381 IDLFUQOVCRNUMK-UHFFFAOYSA-N 400.551 5.793 0 1 HKAF Cc1cnc(-c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccco2)o1 82165201 NBLOOCJNOQGVSS-UHFFFAOYSA-N 400.360 5.331 0 1 HKAF Cc1cccc(-c2nc(NCCc3ccc(F)cc3)ncc2-c2nc(C)c(C)s2)c1 82167391 XQMQKAWZTPUMHS-UHFFFAOYSA-N 418.541 5.986 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)O 96095567 LPLFLSUGEHBUTE-DOFZRALJSA-N 416.690 9.338 0 1 HKAF in-vitro COc1ccc(/C=C/C[C@H]2C[C@@H]([C@@H](O)c3ccccc3)CO[C@@H]2c2ccccc2)cc1 96921348 UYTIOEFERVNOFM-OKOIHKIFSA-N 414.545 6.226 0 1 HKAF Cc1ccccc1N[C@H](c1ccco1)P(=O)(Oc1ccccc1)Oc1ccccc1 103198390 XFIURNVWKOIZMG-DEOSSOPVSA-N 419.417 7.050 0 1 HKAF CCCCC/C=C\C/C=C\CCCCCCCCN[C@H](CO)Cc1ccc(O)cc1 103258195 MLZDAZHUQAIPAW-GSNKAXSMSA-N 415.662 6.699 0 1 HKAF CN1[C@H]2CC[C@@H]1C[C@H](O[C@@H](c1ccc(F)cc1)c1cccc(Br)c1)C2 103271722 MTATUXXQZDSZDW-BQJUDKOJSA-N 404.323 5.319 0 1 HKAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cnccn3)cc(-c3scnc3C)c2)cc1 113767055 IMMYKGQHFCLMCG-INIZCTEOSA-N 414.534 5.375 0 1 HKAF O=C1CCC(c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1 115805633 GVPAVKDFZQLKML-UHFFFAOYSA-N 411.461 5.208 0 1 HKAF CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc(C)o2)[C@@H]2C(=O)CC(C)(C)CC2=N1 169688122 WFJKPVCDYXVPPB-GOTSBHOMSA-N 404.510 5.353 0 1 HKAF Cc1ccc2c(c1)N[C@H](c1c(F)cccc1Cl)[C@H]1C(=O)CC3(CCCC3)CC1=N2 169722016 RAPQXGOFQFJBAA-DHIUTWEWSA-N 410.920 6.566 0 1 HKAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)O[C@H]3CC[C@@H](C)CC3)CN(C)[C@H]1C2 195008652 PRLKDWJIMFKGSZ-XXLZIXDASA-N 408.586 5.304 0 1 HKAF COC(=O)[C@H]1[C@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(Cl)cc2)cc1)C3 253634754 VPTOTYACZAFVTR-SSPSDQGKSA-N 421.968 5.684 0 1 HKAF Cc1nc(-c2ccc(Cl)c(Cl)c2)nc(OCCCN2CCCCC2)c1Cl 299821690 LKNXNIDLPXRRHR-UHFFFAOYSA-N 414.764 5.667 0 1 HKAF COc1ccc([C@H]2C(Cn3c4ccccc4c4ccccc43)=NO[C@@H]3CCCC[C@H]23)cc1 473083627 OUUNCNBZJBPHSV-MLKSZZLFSA-N 424.544 6.532 0 1 HKAF Oc1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2cccnc2)n1 473156090 SKIKOPHEAASQHT-UHFFFAOYSA-N 405.457 5.643 0 1 HKAF O=C(O)c1ccccc1/C=C\c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586878423 DAKPVESDJTZLEP-YVMONPNESA-N 411.177 5.213 0 1 HKAF FC(F)(F)Oc1cc(Br)cc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586883817 LTDHWGFCFMNHOC-RVOMIOKESA-N 415.253 5.692 0 1 HKAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(Br)c(C)c(C)c2[nH]1 586916444 MMBILMBTPRHBCY-VFNWGFHPSA-N 413.315 5.159 0 1 HKAF COc1cc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cc1OC 586981909 GBMSOISMHCCRGX-OAHLLOKOSA-N 417.347 5.715 0 1 HKAF Cc1c(Cc2ccc(Cl)cc2Cl)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586986733 SHHLZXWOWBFQRB-UHFFFAOYSA-N 420.295 6.358 0 1 HKAF C[C@H](C(=O)O)c1c(-c2ccccc2F)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586988156 FEMGISVUSDJTQA-LBPRGKRZSA-N 413.404 5.146 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(F)ccc3Br)nc3ccc(O)c1c23 586988991 VMPZWOKYFYKAMU-UHFFFAOYSA-N 420.237 5.720 0 1 HKAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587027017 LWIQTCNXJNKDQI-UHFFFAOYSA-N 414.359 5.228 0 1 HKAF CCc1cc(OCc2nc3cc(Cl)cc(Br)c3[nH]2)ccc1Cl 587052738 KOLHZAAJWCRZQX-UHFFFAOYSA-N 400.103 5.774 0 1 HKAF Clc1cc(Cl)cc(-c2cncc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c2)c1 587068135 ZTJYYQXBUIDHFL-UHFFFAOYSA-N 409.103 6.906 0 1 HKAF FC(F)(F)Oc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Cl 587077279 UOVQETTZMGSQAU-OAHLLOKOSA-N 416.186 5.385 0 1 HKAF CC(C)CCOc1cc2nc([C@H](C)n3cc(Cl)cn3)[nH]c2cc1Br 587078909 CWSHHAWHDFOELS-NSHDSACASA-N 411.731 5.210 0 1 HKAF Cc1c(Br)cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1C 587080547 QGVKYEMUEKGPSJ-OAHLLOKOSA-N 417.738 5.319 0 1 HKAF FC(F)(F)c1ccc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c(C(F)(F)F)c1 587094587 CTRMSMZHOLZCOI-UHFFFAOYSA-N 400.109 5.969 0 1 HKAF FC(F)(F)Sc1ccc(/C=C/c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 587124080 ICJKQCPBYPKMMH-MDWZMJQESA-N 412.436 7.138 0 1 HKAF COC(=O)c1cc2nc([C@@H](C)Oc3ccc(F)cc3)[nH]c2c(F)c1Nc1ccccc1 587169469 XCVWISIIKDJISW-CYBMUJFWSA-N 423.419 5.511 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587191111 KVQRCZYAMCBOIU-KRWDZBQOSA-N 406.313 5.826 0 1 HKAF COc1c(C)cc(C)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352908 PMSCYXGWVXHVLB-WIOPSUGQSA-N 406.453 5.431 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H]3[C@@H]4CC[C@H]5CC=CC[C@]5(C)[C@H]4CC[C@@]31C)O2 587409905 XRDZQNFNRJIKLK-MHTFIHACSA-N 419.609 6.490 0 1 HKAF Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587412292 ADDYYXXIOJHDMG-RUZDIDTESA-N 418.562 5.235 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(C)c4[nH]c5ccc(OC)cc5c4c1C)[C@@H](C2)C3=O 587437158 DWIYLCZASIDUKE-SIBVEZHUSA-N 413.473 5.444 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)[C@@H](C2)C3=O 587445113 WZOCAVUFKADIBB-CPJSRVTESA-N 416.473 5.080 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccccc3)cc1OC)CC2=O 587482676 UYJFSOMBWGYVOF-RUZDIDTESA-N 418.489 5.639 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2cc3ccccc3cc21 587484501 SKAUONLHCLPIIK-MUUNZHRXSA-N 406.481 6.387 0 1 HKAF O=C1C[C@@H](c2cccn2-c2cc(Cl)cc(Cl)c2)Oc2c1ccc1c2CCCC1 587503641 VZPSNNOWRFCYQR-QFIPXVFZSA-N 412.316 6.369 0 1 HKAF CC(C)[C@@]1(c2ccc(OCCF)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558980 YWZCRYKVLBBAMR-DHLKQENFSA-N 422.452 5.254 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1nccs1 587616753 GOEGYMXPXCYSOS-DENIHFKCSA-N 401.443 5.219 0 1 HKAF Cc1ccc(NCc2c(-c3ccc(Br)cc3)[nH]c3cccc(F)c23)cc1 587632239 HNUCRDLKDQYCDO-UHFFFAOYSA-N 409.302 6.657 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(Cl)c(Cl)c2)N1 587694295 LDOIXGJTAHSTDX-XTZNXHDOSA-N 417.149 5.887 0 1 HKAF CC(C)[C@@]1(CCc2cccc(N)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587746685 NZJAVYXXPUWCDZ-SPLOXXLWSA-N 405.355 5.189 0 1 HKAF CCc1ccc(N2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 587770749 TYPYLLVNSHUNNI-HNNXBMFYSA-N 417.366 5.181 0 1 HKAF COc1ccc2ccccc2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587805039 CXNDYDBHIBSLAZ-GTJPDFRWSA-N 400.291 5.374 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2c(C)c(C)ccc2s1 587863480 AIYFWUDCMQDOTP-UHFFFAOYSA-N 403.429 5.793 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c2C)c(OC)c1 587931107 ZCJLUHZIFMRGFI-UHFFFAOYSA-N 424.403 5.544 0 1 HKAF Cc1ccc(NC(=O)C2CCN(C(=O)[C@@H](C)c3ccc(CC(C)C)cc3)CC2)cc1 653753994 NFEUFGLHZLMBSR-FQEVSTJZSA-N 406.570 5.174 0 1 HKAF COc1ccc2c(c1OC)[C@](CCc1cccc(C)c1C)(C1CCCC1)N(C)[C@H](C)C2 962619527 DDDCIMGKHUPAJW-NGOKVRLYSA-N 421.625 6.215 0 1 HKAF CCCC[C@]1(CCCCCCC(=O)O)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962732257 YRSZLULZDMGNRX-GHTZIAJQSA-N 413.480 5.143 0 1 HKAF COc1ccc2cc(C(=O)C[C@]3(C)NCCc4c(Cl)cc(Cl)cc43)ccc2c1 963106065 JLHCRLMSBJARFK-QHCPKHFHSA-N 414.332 5.789 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1sc(Sc2ccccc2)nc1Cl 963110157 QOFWWGUAHDDAGF-YJBOKZPZSA-N 416.974 6.197 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@]21C=CC(c2ccccc2)(c2ccccc2)CC1 963116360 WNWINJGESBQKJZ-UHSQPCAPSA-N 409.548 6.378 0 1 HKAF Oc1ccc2c(c1)[C@](c1ccc(Cl)cc1)(c1cnc(-c3ccccc3)s1)NCC2 963339737 BEDUHPSVZVFQMK-XMMPIXPASA-N 418.949 5.607 0 1 HKAF COc1cccc([C@]2(C[C@H]3CC[C@@H](C(=O)O)CC3)NCCc3cc(Cl)ccc32)c1 963391031 OVQKCVTUWGJWJG-SRGWNRLKSA-N 413.945 5.019 0 1 HKAF CCCCCCn1c(-c2ccc(OCc3ccccc3)cc2)nc2ccccc2c1=O 1772622634 NERYLRONZLRHGJ-UHFFFAOYSA-N 412.533 6.223 0 1 HKAF COc1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@@H](CNCc4ccccc4)C=C3C)[nH]c2c1 2356310768 JZRJKMCHULJAKM-WMTXJRDZSA-N 417.597 5.758 0 1 HKAF CC(C)CNC(=O)C=C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C=C[C@H]1C[C@@H]1C 2356387435 SZYJBOHZBFNTMP-OFQXEQMPSA-N 407.642 5.708 0 1 HKAF CCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O 2356438429 FQYWAQLILQWTQT-UHFFFAOYSA-N 410.642 8.666 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C([C@H](O)C[C@@]21C)[C@]1(C)CC[C@H](O)CC1=CC3 2356460369 RJWIGXOAUROSSK-OVFPJUOXSA-N 412.658 6.446 0 1 HKAF CC(C)=CC[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](N(C)C)CC3=CC[C@@]2(C)[C@H]2CC[C@@H]3CN(C)C[C@]312 2356539225 GZPCPKJUELSOTR-LANNUCQGSA-N 424.717 6.394 0 1 HKAF CC(C)=CCCC(C)=CCC[C@]1(C)OC(=O)[C@@H](C(=O)c2ccc(O)cc2O)[C@@H]1C 2356599179 PUFZTKZBPIVBQR-UQJUWTFNSA-N 400.515 5.321 0 1 HKAF COC(=O)CCC(=O)OC[C@@H]1CC[C@]2(C)C(C)=CCC[C@H]2[C@@]1(C)CCc1ccoc1 2356617054 OYHUVLDVWBMUEA-JMLJLYKJSA-N 416.558 5.488 0 1 HKAF CC=C(C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356690213 OZNMJHSEUFVTTG-NMIZKBFBSA-N 408.670 7.641 0 1 HKAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@]2(C)C[C@H](C3=CC(=O)O[C@@H]3O)C[C@@H]12 2356755802 VLTYUYLIFSQZKQ-VXSYZACVSA-N 400.603 5.863 0 1 HKAF CC1=C(C(=O)OCCC[C@H](CO)CCC[C@@H]2[C@@H](C)CCCC2(C)C)C(C)(C)CC=C1 2356756572 ONSSRTRCPXQQTE-MDNUFGMLSA-N 418.662 6.854 0 1 HKAF O=C(Nc1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2)NC1CC1 5138126 KHNSTLWEHCTSHA-UHFFFAOYSA-N 415.518 5.282 0 3 HKAF C/C=C1\CO[C@@](C(=O)NCc2ccccc2)(C(F)(F)F)C=C1C=C1CCCCC1 13828912 DYDNZRSXXCREEL-GCMJVFMBSA-N 405.460 5.397 0 3 HKAF CC(C)(C)c1ccccc1NC(=O)Nc1nc([C@@H](N)Cc2ccc(F)cc2)cs1 61896378 YETITTVEBSOMDS-KRWDZBQOSA-N 412.534 5.466 0 3 HKAF Cc1ccc(CNC(=O)[C@]2(C)CCC[C@@]3(C)[C@@H]4CC[C@@]5(C)C[C@]4(CC[C@H]32)CC5=O)cc1 61959359 SCGLVFUCAHFLMI-GAEPOHGSSA-N 421.625 5.983 0 3 HKAF CCCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(-c2ccccc2)cc1 2482198 HCZMHTAZBQIGCZ-UHFFFAOYSA-N 414.480 6.345 0 1 HKAF CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 4215646 ACBMSPMHMQVVQG-XZOQPEGZSA-N 410.558 5.907 0 1 HKAF O=C1C[C@H](CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2[nH]c3ccccc3c21 13471721 SPBXLWNNWOLJEO-OAHLLOKOSA-N 417.484 5.073 0 1 HKAF CCOc1cc2ncnc(Nc3cc(-c4csc(C)n4)ccc3C)c2cc1OCC 13490810 AQBBMJNDXMBSPF-UHFFFAOYSA-N 420.538 5.911 0 1 HKAF CCCN(Cc1ccccc1)c1cc(C)nc2c(-c3c(C)cc(C)cc3C)cccc12 13553468 QJPHGILHFFUHDA-UHFFFAOYSA-N 408.589 7.552 0 1 HKAF O=C1C[C@@](CC2CCCCC2)(c2ccccc2)OC(=O)[C@@H]1SCc1ccccc1 13766432 MEARHPXCXSFRJA-NOZRDPDXSA-N 408.563 5.670 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1ccc(F)c(C)c1)Oc1ccc(Cl)cc1-3 13777196 JSHHKDQSFNGJMA-RUZDIDTESA-N 419.927 7.544 0 1 HKAF COc1cc(O)cc(O)c1C(=O)[C@@H]1[C@@H](c2ccccc2)CC=C(C)[C@@H]1CC=C(C)C 14636849 DIHCGASLQARQMP-IMSXRSKXSA-N 406.522 6.012 0 1 HKAF O=C(O)CCC/C=C/C[C@@H]1[C@@H](COCc2ccccc2)[C@H]2C[C@]1(c1ccccc1)CO2 26013133 ZREITZXFTXLALN-QDBOSKAYSA-N 420.549 5.377 0 1 HKAF Fc1ccc([C@@H]2[C@H](c3ccc(F)cc3)C[C@@H]3CC[C@H]2N3CCc2ccccc2)cc1 27074741 TULWTCRECLIYGX-GWMMUDDPSA-N 403.516 6.312 0 1 HKAF Fc1ccccc1CO[C@@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 27546941 CWSRCSCGTHQTFM-RRPNLBNLSA-N 401.525 5.637 0 1 HKAF CCCCNC[C@H](O)c1cc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)c1 28222036 IUEQQWAMHXBKSM-DEOSSOPVSA-N 414.376 6.751 0 1 HKAF CCN1CN(CC)[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 28764405 OQFFQHMTVWETIW-OALUTQOASA-N 418.195 6.698 0 1 HKAF N[C@@H]1CCCC[C@H]1N(C/C=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 28826262 CTWATJKCCUTZQI-OAOUBSARSA-N 415.581 5.303 0 1 HKAF CC(C)(C)OC(=O)NCCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12 29487996 JSJMGQJOBDBITI-UHFFFAOYSA-N 413.521 5.992 0 1 HKAF CCCn1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCCC1)CC2 36488039 PUDOYHVREJTDBQ-UHFFFAOYSA-N 407.602 5.224 0 1 HKAF CCC[C@@H](Nc1cncc(-c2ccc(NC(=O)NCC)c(C)c2)n1)c1cnccc1C 38309101 ZBQXUMNPYYNKTB-OAQYLSRUSA-N 418.545 5.250 0 1 HKAF Cc1c(CNC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 40954523 XZEWWPFRVAGHEH-UHFFFAOYSA-N 408.760 6.306 0 1 HKAF CO[C@@H]1CC(c2ccc[nH]2)=N[C@]12O[C@@H](C)C[C@@H]1CCCCCCCc3ccc([nH]3)[C@H]12 58583420 JPTGQNMDWMSVSF-DUENCVSESA-N 409.574 5.352 0 1 HKAF in-vitro COC(=O)c1cccc(-c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)c1 73198211 NSVLQIRCGBGCKX-UHFFFAOYSA-N 417.486 5.094 0 1 HKAF CCCCNc1ncc(C(=O)N(CC)Cc2ccccc2)c(-c2ccccc2F)n1 82152937 YFSDGKJCIAVYAO-UHFFFAOYSA-N 406.505 5.157 0 1 HKAF CCOC(=O)[C@H](CC)Oc1ccc(NC(=O)CSc2ccc3ccccc3c2)cc1 95562423 GQCWGGGZWUALRJ-QFIPXVFZSA-N 423.534 5.291 0 1 HKAF Cc1cccc2oc(=O)c3c(c12)O[C@]1(C(=O)CC(C)C)O[C@H]3[C@@H]2[C@@H](C)CC[C@@H]2[C@H]1C 238754733 OIVSDRARUTXWJF-AFYUPLIVSA-N 410.510 5.175 0 1 HKAF C[C@H](NCCc1ccccc1)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253633374 LFPKSAIPLRXRML-XDFXEABYSA-N 421.669 6.147 0 1 HKAF COc1cc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c2cc1Cl 586981323 HUGJYGJWBNGZOV-UHFFFAOYSA-N 423.738 6.079 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cnn(-c4ccccc4Cl)c3)nc3ccc(O)c1c23 586986800 VUWGUONQUANOJA-UHFFFAOYSA-N 423.859 5.658 0 1 HKAF COc1cc(-c2nc3cc(C)c(Br)cc3[nH]2)cc(Cl)c1OCC(C)C 587044445 BLSLXCFCGFEUQG-UHFFFAOYSA-N 423.738 5.998 0 1 HKAF O[C@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccccc1Cl 587058326 FIWXBPGABGDCEN-ZDUSSCGKSA-N 405.601 5.079 0 1 HKAF Fc1c(Br)cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1F 587068766 YNTLCZHCYBNAOI-UHFFFAOYSA-N 409.621 5.314 0 1 HKAF COc1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c(C(F)(F)F)c1 587095924 ZIWIWTGGOREXTK-UHFFFAOYSA-N 405.601 5.673 0 1 HKAF Cc1ccc2c3c(cc(-c4cnc(-c5ccccc5)s4)nc13)-c1ccccc1C2=O 587101160 DPTVSJYFCBLUDT-UHFFFAOYSA-N 404.494 6.545 0 1 HKAF COc1cccc2cc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c(=O)oc12 587101368 FRXATLQNSCNOBC-UHFFFAOYSA-N 419.436 5.537 0 1 HKAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587168474 XKDNVFSEHVJZHY-HNNXBMFYSA-N 410.346 5.229 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccnc(Br)c3[nH]2)c1 587196212 UEPHOLCQQVYNCJ-UHFFFAOYSA-N 417.307 5.067 0 1 HKAF CCCc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 587207849 XLZOAWJPWXGCLD-UHFFFAOYSA-N 407.469 5.693 0 1 HKAF C=CC(=O)Nc1ccc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)cc1 587244309 OICFVZLIYFHOJP-UHFFFAOYSA-N 410.193 5.136 0 1 HKAF CC(C)C[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328948 KYYWLFFYKIUBKB-UKILVPOCSA-N 424.899 6.485 0 1 HKAF Cc1ccc2c(c1)[C@@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356331 JIEPFEPLRDVJHX-UKILVPOCSA-N 404.437 5.267 0 1 HKAF C[C@]1(c2nc3ccccc3s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587371716 FTWDZBSTRQKEOV-REWPJTCUSA-N 405.450 5.415 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(OCc3cnc(Cl)s3)c1)O2 587413055 LTTQHRJDLKKUTC-OAQYLSRUSA-N 414.914 5.147 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cc(Cl)cc(Cl)c4)cc1)[C@@H](C2)C3=O 587417326 CAIGKHXULTURTP-CVDCTZTESA-N 411.284 6.158 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587421631 VJQMDIDRWJNSOR-SBUREZEXSA-N 411.284 6.158 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(c1cccc(F)c1)CC2=O 587465201 AXQMYABKMYBHRQ-VWLOTQADSA-N 406.453 5.401 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccsc1)([C@H](O)c1ccsc1)CC2=O 587498071 YNRJRKPEIRKSCA-RTWAWAEBSA-N 400.521 5.062 0 1 HKAF NC(=O)N1c2ccccc2C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587518982 SABKQBZSSWPYAJ-HHHXNRCGSA-N 424.500 5.199 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ccc2cccnc12 587549980 UNBJFYWARHJTCS-WMZHIEFXSA-N 403.821 5.297 0 1 HKAF CCC(C)(C)c1ccc(OCc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 587565160 ZCVGQPAKYIJDLC-UHFFFAOYSA-N 409.274 5.870 0 1 HKAF Cc1ccc(-c2cncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 587588581 TYIKCSFSVBUHRO-OZXSUGGESA-N 409.441 5.466 0 1 HKAF Cc1ccc(OCC2CC2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587591387 GPXFHKNHTGPGEY-RCZVLFRGSA-N 402.446 5.192 0 1 HKAF CCCCCc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587603184 NNKOSPBCGWWLIM-JYFHCDHNSA-N 402.490 6.002 0 1 HKAF CC(C)(C)Sc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587608208 QBAQSAHGBWRCBW-NFBKMPQASA-N 406.503 5.986 0 1 HKAF Cc1c(Cc2ccccc2Br)[nH]c2c1c(Br)cc1n[nH]cc12 587620991 MZFHHQNNFBZRBD-UHFFFAOYSA-N 419.120 5.468 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(Cl)c(Cl)c2)N1 587706262 PICLKYKPGLLDIK-BCTVWOGZSA-N 404.110 5.088 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)cc2OC(F)F)N1 587715341 HMUQDZCJDFALMO-DYBLOJMWSA-N 418.228 5.126 0 1 HKAF CCOc1ccc([C@]2(C3CC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587801134 IUKBEXVFMWPLFC-ZSEKCTLFSA-N 404.323 5.175 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC1CC1 587804197 CUSQJKIJHZAFFO-YEJXKQKISA-N 404.323 5.309 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(c2ccccc2)c2ccccc2)N1 587813209 NFUDOBQSIPEPFT-GYCJOSAFSA-N 424.357 6.170 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)CCc3ccccc32)N1 587824078 UAWQSZJALPFVMI-FPTDNZKUSA-N 402.351 5.729 0 1 HKAF CCCCc1oc2ccccc2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587825871 BKICILPVLRXABQ-DMZKTXOQSA-N 416.334 6.301 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3cccc(O)c3)c2)N1 587831933 IKIFJBCXDDGCBG-WHEQGISXSA-N 412.302 5.584 0 1 HKAF Cc1c(Br)csc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587842122 DDKBFVADSNBMDK-JKYUHCHBSA-N 419.157 5.344 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CN3CCCCC3)s2)N1 587848920 PXLSCFSTOPMUII-XCLFUZPHSA-N 423.395 5.259 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2nc3ccccc3s2)N1 587854826 DMYPEEIVMNJVPL-WLRWDXFRSA-N 405.336 5.190 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2c(C)ccc(Cl)c2s1 587864136 LQQYUXHUWCAEHT-UHFFFAOYSA-N 423.847 6.138 0 1 HKAF CS(=O)(=O)Nc1ccc(-c2csc(-c3ccc(C(F)(F)F)c(F)c3)n2)cc1 587923808 PRKBPJZGZJEBJJ-UHFFFAOYSA-N 416.421 5.007 0 1 HKAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587930968 JASYRLHKNGOHRG-GKVSMKOHSA-N 411.530 6.293 0 1 HKAF COc1ccc2cc([C@@H](C)c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)ccc2c1 587934635 KXPDLSAZCPXHFO-LLVKDONJSA-N 404.819 6.549 0 1 HKAF COc1ccc(C2(c3nc4cccc(OC(F)(F)F)c4[nH]3)CC3(CCC3)C2)cc1 587936122 RVACUDMIBFCANS-UHFFFAOYSA-N 402.416 5.720 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1c(N)cccc1Br 587937498 SRFIBVKBOMZSMR-JKIFEVAISA-N 407.352 5.367 0 1 HKAF CC(C)=CCC/C(C)=C/c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587968297 MOHZSDNIDRZGOI-LFIBNONCSA-N 405.380 6.900 0 1 HKAF COC(=O)c1c(O)c(CC=C(C)C)c(OC)c(CC=C(C)C)c1CCc1ccccc1 653724775 RAZZBDOCOMIWEM-UHFFFAOYSA-N 422.565 5.990 0 1 HKAF CCN(CC)CCC[C@]1(C)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961778309 QLKSBHIONRHUMM-RUZDIDTESA-N 415.622 5.175 0 1 HKAF COc1ccc2c(c1)[C@H](c1cn(-c3ccc(C)cc3)nc1C(C)(C)C)N[C@@H]1CC[C@H]21 962998334 VJJILSXSNRZDCU-AGILITTLSA-N 401.554 5.425 0 1 HKAF COc1cc2c(cc1OC)[C@@]1(NCCc3c1sc(C)c3C)C(c1ccccc1)=CO2 963004047 ACHXZPKNRHZBSC-RUZDIDTESA-N 419.546 5.205 0 1 HKAF CCOC(=O)CCCC[C@]1(c2cc(C)cc(C)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963105068 ISYCREXXFBPCHA-IGKIAQTJSA-N 423.572 5.830 0 1 HKAF Fc1cccc2c1[C@@]1(c3ccccc3-c3ccc(Br)cc31)N1CCC[C@H]1C2 963109592 MFFLAGWBDUGGNY-XDHUDOTRSA-N 420.325 5.881 0 1 HKAF CC(C)c1ccc2[nH]c(C(C)(C)C)c([C@H]3c4c(F)cccc4C[C@H]4CCCN34)c2c1 963114505 UGMMOOGLJSZRSL-KBMIEXCESA-N 404.573 6.838 0 1 HKAF CCCc1ccc([C@]2(CC)c3cc(OC)ccc3CCN2Cc2ccc(F)cc2)cc1 963304203 SJWDXIDCFNFUHY-MUUNZHRXSA-N 417.568 6.499 0 1 HKAF CCCn1cc([C@]2(C)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c(C)n1 963818145 RKKOOJQBTAWBGK-SANMLTNESA-N 414.553 5.071 0 1 HKAF CCN(CC)c1cccc(NC(=O)Nc2ccc(-c3ccnc4[nH]nc(C)c34)cc2)c1 1772586254 MFXYPZFQMDMZNN-UHFFFAOYSA-N 414.513 5.424 0 1 HKAF COc1cc2c(c3c1C(=O)C[C@@H](c1ccc(O)cc1)O3)C=C[C@](C)(CCC=C(C)C)O2 1857533677 PVXFFZCURJBGCG-LVXARBLLSA-N 420.505 6.018 0 1 HKAF Cc1cccc(Cl)c1-n1cnc2nc(SCc3ccccc3F)sc2c1=O 1857542380 UKSKIJDRQPIOQD-UHFFFAOYSA-N 417.918 5.235 0 1 HKAF CCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2c1cc(O)c1ccccc12 1857774318 WEIJKEYQWOSYEJ-UHFFFAOYSA-N 400.261 6.177 0 1 HKAF CN1c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C(C)(C)[C@H](O)C1(C)C 1911584952 AYLCUMDOKMCRMV-SFHVURJKSA-N 421.463 5.216 0 1 HKAF CC(C)=C[C@@H]1C[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4Cc5c([nH]c6ccccc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c1cc(O)cc(C)c1O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 2356737808 GTWCNYRFOZKWTL-FCHUYYIVSA-N 402.663 8.334 0 1 HKAF Cc1cc(S[C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)nc(C(C)C)n1 8684585 ITVRTRGXOJTNSM-INIZCTEOSA-N 418.777 5.127 0 3 HKAF COc1ccc([C@@](C)(NC(C)=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 61927348 QEXVHLMMPDDEHS-HXUWFJFHSA-N 420.456 5.237 0 3 HKAF CCCC[C@H](c1nc2ccccc2[nH]1)n1c(-c2ccccc2)nc2cc(C)c(C)cc21 72138535 MSRBLCLQALMHOL-XMMPIXPASA-N 408.549 6.976 0 3 HKAF Cc1nc2cnccc2n1CCCO[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)O1 3801630 MOKMUEQGGPEMDJ-PMACEKPBSA-N 406.313 5.331 0 1 HKAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N(C)Cc3ccccc3)c2)[nH]1 13524462 DXSUPLKBKUCDRU-UHFFFAOYSA-N 404.514 5.636 0 1 HKAF CCCCCC[C@@H](C)/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](C)C(=O)NCCF 13766092 RAMPXDRFGKYVNF-GYEAWWJESA-N 405.642 7.490 0 1 HKAF CC(C)(CCC1CCCCC1)OC(=O)[C@H]1CCCCN1C(=O)C(=O)C1CCCCC1 26947733 CPBZRXIJQQIMIG-OAQYLSRUSA-N 419.606 5.199 0 1 HKAF COc1ccc([C@@H]2[C@H](CCCCc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 27196112 CBKVUMMWDHIQKE-IZZNHLLZSA-N 415.533 5.821 0 1 HKAF C[C@]12CC(=O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2SCc1ccccc1 27983908 PIFNKFZPXSBBRA-YZMONEBGSA-N 406.591 5.775 0 1 HKAF COc1cc2occ(-c3cccc(CN(C)Cc4ccccc4)c3)c(=O)c2cc1OC 28710704 KZJABZGPRMGEQZ-UHFFFAOYSA-N 415.489 5.109 0 1 HKAF CCc1c(-c2ccc(O)cc2)nc(-c2ccc(O)cc2Cl)n1-c1ccc(O)cc1 35325078 QVNWKCFTMBRWNM-UHFFFAOYSA-N 406.869 5.539 0 1 HKAF CCN1CCC[C@@H]1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(F)cc1 43063348 WUDYKLLAMWHYMC-JOCHJYFZSA-N 402.473 5.713 0 1 HKAF CC[C@H](Cc1ccc(F)c(C(=O)NCc2ccc(Oc3ccccc3)cc2)c1)C(=O)O 64373048 WJZFEXNAKYISTF-LJQANCHMSA-N 421.468 5.201 0 1 HKAF c1ccc(SCc2cc3c(OCCCNCc4cccnc4)cccc3[nH]2)cc1 64503710 MEGAVPQLQSGYPK-UHFFFAOYSA-N 403.551 5.414 0 1 HKAF O=C(O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 82153989 LHNOSDQVFGLDJT-QHCPKHFHSA-N 402.881 5.802 0 1 HKAF Nc1nc(-c2ccccc2O)cc(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)n1 82158502 XGLYUDHXCFFGBA-UHFFFAOYSA-N 423.451 5.090 0 1 HKAF Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)NCC2CC2)c1 82216776 VZRQAPJCKSAJDA-NHRGSCSFSA-N 418.585 5.074 0 1 HKAF CCc1ccc(Oc2c(Cl)cnn(C3c4ccccc4-c4ccccc43)c2=O)cc1 95597718 CHWLYDOFIFXAQD-UHFFFAOYSA-N 414.892 5.870 0 1 HKAF Nc1sc(-c2ccccc2)c(CN2CCCCC2)c1C(=O)c1ccc(Cl)cc1 96914218 ZJXZMWGZHYTTGI-UHFFFAOYSA-N 410.970 5.868 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 96914257 UAGLKJAPRSHHAX-CUGBIUFQSA-N 420.678 5.554 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccccc2)c(Cl)c1)C3 100950990 AQWNEEQYGAZQAV-CNXCQDBZSA-N 421.968 5.684 0 1 HKAF CC(=O)N1N=C(c2cccc(N)c2)C[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 103200538 OLTQFGJLHFALGP-LJQANCHMSA-N 414.292 5.533 0 1 HKAF COc1ccc(C(=O)CSc2nc(C)c(C)n2Nc2ccc(Cl)cc2)cc1 103244286 AWZSRFUYFJWTNU-UHFFFAOYSA-N 401.919 5.012 0 1 HKAF COCc1cc(-c2nc(-c3ccc4c(c3)CNCC4)no2)ccc1-c1ccccc1C 118857441 PHHFMCDOFPPCSB-UHFFFAOYSA-N 411.505 5.171 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2ccccn2)c1F 167626812 AGDHLORZIGVLKC-FQEVSTJZSA-N 420.484 5.159 0 1 HKAF CCCCN(CCCC)C[C@H](O)c1cnc2c(C(F)(F)F)cccc2c1Cl 169338262 POTJSQBRGBHYCO-KRWDZBQOSA-N 402.888 5.843 0 1 HKAF CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1nc2ccccc2n1C 169722361 HXFZPJGACGORFL-PMACEKPBSA-N 410.308 5.556 0 1 HKAF COc1cc(-c2cnc(C)n2C)ccc1Nc1cc2cc(-c3cncnc3)ccc2cn1 207757484 XSGKTIKYQUHOGE-UHFFFAOYSA-N 422.492 5.153 0 1 HKAF COC(=O)c1c(O)c(CC=C(C)C)c(O)c(CC=C(C)C)c1CCc1ccc(O)cc1 238738790 AVOIWPHOOKRDCR-UHFFFAOYSA-N 424.537 5.393 0 1 HKAF CC(=O)O[C@H]1C=C(C)[C@H](OC(=O)c2ccc(O)cc2)CC=C(C)CCCC1(C)C 253783351 YUURXLYREVDXOP-YADHBBJMSA-N 400.515 5.342 0 1 HKAF CC(C)[C@H]1CC[C@@H]2[C@]3(C)CCC4=C(CC[C@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@@]21C 255209709 FQCKEVJQPWDRQG-NJQPKZCPSA-N 410.730 9.198 0 1 HKAF COc1ccc(Nc2ncccc2C(=O)Nc2cccnc2Nc2ccccc2)cc1 299821672 KHISYPQRCAKRKE-UHFFFAOYSA-N 411.465 5.225 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 299872669 YIKKMWSQVKJCOP-VTUJPQPESA-N 400.647 6.568 0 1 HKAF Cc1c(Br)cccc1NC(=O)c1sc2nc3c(cc2c1N)CCCC3 327637729 RKKNDXNFKRJEQV-UHFFFAOYSA-N 416.344 5.081 0 1 HKAF CCOC(=O)c1cc(Br)c2nc(-c3ccc(C(C)(C)CC)cc3)[nH]c2c1 586880183 LYVPMNKPRSGEQQ-UHFFFAOYSA-N 415.331 5.857 0 1 HKAF CC(C)(C)c1cccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 586959068 ILUAHHBPADQNDW-LJAQVGFWSA-N 402.563 5.899 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(C(F)(F)F)cnc1CC3 586985770 FVTGKQXJDGVWDX-UHFFFAOYSA-N 418.374 5.331 0 1 HKAF Fc1c(F)c(F)c2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc2c1F 587015927 YTJGYTLUCZVGPZ-UHFFFAOYSA-N 418.202 6.217 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587035415 WDSPZYVBGIFCBV-CQSZACIVSA-N 418.349 6.356 0 1 HKAF O[C@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccccc1Cl 587058826 JOCFOEBQIKLXFG-ZDUSSCGKSA-N 405.601 5.079 0 1 HKAF COc1cnc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)cc1Cl 587065399 YXDYFFIRKZXYMD-UHFFFAOYSA-N 406.589 5.068 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(F)c(F)c4[nH]3)c(Cl)cc12 587078326 OBNKRDBOXRXPOB-SNVBAGLBSA-N 418.827 5.693 0 1 HKAF Cc1ccc(-n2nnc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c2C)cc1 587096262 GKDZLWXYDPUXMM-UHFFFAOYSA-N 416.484 5.619 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@@H](C)N(C(=O)OC(C)(C)C)CC4)-c1ccccc1C2=O 587098487 VKJHKCGGOYEHNK-OAHLLOKOSA-N 414.505 5.609 0 1 HKAF O=C(O)CCc1c(-c2ccc(Cl)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587103765 LEYYZGPPICUINE-UHFFFAOYSA-N 413.860 5.784 0 1 HKAF FC(F)(F)c1nn(CCc2nc3cnc4ccccc4c3[nH]2)c(C2CC2)c1Cl 587116598 ITRKJDPUBNAOAS-UHFFFAOYSA-N 405.811 5.100 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc(Cl)cc(F)c4[nH]3)cc2F)c1 587143235 NCXNMKLQUFCRIJ-UHFFFAOYSA-N 405.231 6.491 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cncc(Br)c3[nH]2)cc1F 587149490 HLNQWHGLDRDRIL-GOSISDBHSA-N 416.225 5.167 0 1 HKAF COc1cccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c12 587161221 NELQWXBAMMJHFF-UHFFFAOYSA-N 414.234 5.327 0 1 HKAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587201448 MZJGCLUHKRGCAQ-UHFFFAOYSA-N 409.530 5.936 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1 587236113 ZZLOXIYAMYZFOF-CHWSQXEVSA-N 415.481 5.726 0 1 HKAF C[C@@]1(c2ccc(Cl)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339116 YCOITHYZMSGICF-UNMCSNQZSA-N 400.808 5.598 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1OCc1ccccc1)[C@@H](C2)C3=O 587421586 URQSPAGESMOZRF-CYFREDJKSA-N 406.865 5.416 0 1 HKAF C[C@]1(c2ccc(Oc3cc(F)ccc3F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587504206 HRRNNMMYDVBAGG-AREMUKBSSA-N 420.455 6.517 0 1 HKAF CC1(C)Cc2[nH]c3ccc(F)cc3c2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587509336 RHSSDMISZXUXDO-AREMUKBSSA-N 403.497 6.019 0 1 HKAF O=C1CC2(Oc3c1ccc1c3CCCC1)c1ccccc1N(C[C@H]1CO1)c1ccccc12 587518108 AWNANJLLVYSEFO-IBGZPJMESA-N 423.512 5.325 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)cc2)N1 587678393 JUZSCMWHAQQPJN-BTDLBPIBSA-N 413.128 5.148 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)[nH]c3ccc(Cl)cc23)N1 587703238 XNHUULRLKIFGKG-WNWIJWBNSA-N 409.686 5.052 0 1 HKAF Cc1ccc(Cl)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F 587719546 PWGSXYJWUMFSKL-YPMLDQLKSA-N 400.694 5.487 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cc3ccccc3)cc2)N1 587814046 FSBGZFDWKXHGBF-FYSMJZIKSA-N 424.357 5.977 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(C)(c3ccccc3)CC2)N1 587817297 JOJKPKVDTONFFF-IYJORBIASA-N 402.351 5.850 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cccc(O)c2[nH]1 587962453 XSDUVTBJEKIKGM-UUQHCRCUSA-N 418.625 8.123 0 1 HKAF CC(C)Cc1ccc([C@H](C)C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)cc1 653760839 GXAMYQJUFWPLNG-KRWDZBQOSA-N 400.950 5.177 0 1 HKAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2ccccc2-c2ccc(Cl)c(Cl)c2)N1 962911186 YVWOIQOGQIIWJV-FPOVZHCZSA-N 416.279 5.488 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(OCc3ccc(Cl)cc3)c2)N1 962940454 CUNNIRCOKISTEK-CJFMBICVSA-N 416.952 6.414 0 1 HKAF Clc1cc(Cl)c2c(c1)[C@H](c1ccc3ccc(-c4ccccc4)nc3c1)NCC2 963110814 QGYPHPIVVUUMTE-DEOSSOPVSA-N 405.328 6.444 0 1 HKAF COc1ccc([C@@]2(Cc3ccc(F)cc3)NCCc3c(Cl)cc(Cl)cc32)cc1 963115722 APJSZIVLWUCCCZ-HSZRJFAPSA-N 416.323 5.773 0 1 HKAF CC(C)c1ccc(C2=C[C@]3(NCCc4c(C(=O)O)cccc43)c3ccccc3O2)cc1 963128957 CAGRUTDTKOARGQ-HHHXNRCGSA-N 411.501 5.331 0 1 HKAF C[C@H]1c2c(F)cccc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)CCc1cccnc1 1772612982 OBUBHHDKVHNKKH-UXHICEINSA-N 417.528 5.152 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H](OC(=O)c3cccc(O)c3)CCC[C@@]21C 1857582543 RYEMSNWXSDARGO-BWRNNOJJSA-N 402.575 5.711 0 1 HKAF CC(C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4[C@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]3(C)CC[C@]12C 2356357576 JSAWQLUFWWPQST-WTGDPBMBSA-N 412.702 7.635 0 1 HKAF CC(C)[C@@H]1CC[C@H]2[C@]3(C)CC=C4C(=CC[C@]5(C)CC[C@H](C)[C@H](C)[C@H]45)[C@@]3(C)CC[C@]12C 2356424702 SUEBFPVZWVXEBN-WLJFJMQBSA-N 408.714 8.830 0 1 HKAF CC=C(C)C(=O)O[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1C 2356550508 VFXPFKHNRXPZTI-QJKIYUOJSA-N 414.542 5.105 0 1 HKAF CC(=CC=Cc1cocc1Cc1ccoc1)CCC[C@@H](C)C=C1OC(=O)C(C)=C1O 2356633068 NNOKCWHYNAURHD-GOSISDBHSA-N 408.494 6.502 0 1 HKAF C[C@]12CCCC[C@@H]1C[C@@H]1NCCCN[C@@H]3C[C@]4(C)CCCC[C@]4(C)[C@H]3C=CC=C[C@@H]12 2356790394 FNBRMVQUZZRHIE-LZCAFVELSA-N 410.690 6.242 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)N[C@@H](C)C(=O)O 8860415 CBZANYLFDPJULY-CDBDZTKNSA-N 403.607 6.502 0 1 HKAF COc1cc(OC)c(-c2ccc(OC)c3c(OC)cc(C)cc23)c2c1C(C)=N[C@H](C)C2 13359138 MIMNIDIHOQDTFD-OAHLLOKOSA-N 419.521 5.603 0 1 HKAF biogenic,in-vitro Oc1cc(NCCCNCc2cc(Cl)cc(Cl)c2Cl)nc2ccccc12 13487762 MMAGWELXAPFKOD-UHFFFAOYSA-N 410.732 5.492 0 1 HKAF CCCC(CCC)N1CCc2cn(Cc3ccc(Cl)cc3C)c3nc(C)cc1c23 13645764 ZGOSZSGVOJASTJ-UHFFFAOYSA-N 410.005 6.686 0 1 HKAF CC(C)=CCc1cc(C(=O)O[C@]2(C(C)C)CC=C(C)CC2)cc(CC=C(C)C)c1O 14444490 PYSQNLGCMZDKLK-HHHXNRCGSA-N 410.598 7.091 0 1 HKAF biogenic COc1cc(C)cc2c1[nH]c1ccc(-n3c4ccccc4c4cc(C)cc(OC)c43)cc12 14611135 ZAFKAURCUGXQSU-UHFFFAOYSA-N 420.512 7.052 0 1 HKAF biogenic COc1c2c(cc3c1[C@H]1Oc4c(ccc5c4C=CC(C)(C)O5)[C@@H]1CO3)OC(C)(C)C=C2 15251901 GYTBWEWXRFODTH-XDHUDOTRSA-N 418.489 5.673 0 1 HKAF biogenic CC(C)=CCC/C(C)=C\CC/C(C)=C/CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22851789 DVJCPEWCHQLAEH-GFGREMRSSA-N 424.629 5.952 0 1 HKAF in-vitro CC(C)(C)c1cc(COC[C@H](c2ccccc2)N2CCNCC2)cc(C(C)(C)C)c1 22926785 SKFQAUXRVOPVSQ-RUZDIDTESA-N 408.630 5.445 0 1 HKAF COc1cccc([C@H](O)[C@H]2CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)c1 28389454 RWKQYBICTNWKIC-AFESJLNVSA-N 418.512 5.500 0 1 HKAF FC(F)(F)c1cc(CNCc2ccccc2-c2ccccc2)cc(C(F)(F)F)c1 28570284 YVSHNDBXGBWORD-UHFFFAOYSA-N 409.373 6.681 0 1 HKAF Clc1ccc(C[C@@H]2CO[C@@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 28767798 GBJGAPFLPDIIAV-YLJYHZDGSA-N 423.727 5.354 0 1 HKAF O=C(O)c1cccc2c(=O)cc(-c3ccc(OCc4ccc5ccccc5n4)cc3)oc12 29222226 CPQMZGGGIONSEK-UHFFFAOYSA-N 423.424 5.285 0 1 HKAF COc1ccc(CCc2ccc(-c3nc4ccc(C(=N)NC(C)C)cc4[nH]3)cc2)cc1 33494264 GBCONOUODASYPR-UHFFFAOYSA-N 412.537 5.347 0 1 HKAF Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccccc1)c1c(O)ccc2ccccc12 72118484 AIUKQQTVLYQBTP-VWLOTQADSA-N 406.485 5.513 0 1 HKAF COC(=O)Cc1ccc2c(c1)NC(=O)c1ccc(-c3cccc4ccccc34)cc1N2 89469113 UIMFQXIPSIAGMY-UHFFFAOYSA-N 408.457 5.532 0 1 HKAF Clc1ccc(-n2cc(CCCCCN3CCN(c4ccccc4)CC3)cn2)cc1 96916122 MKRMGDJUMMLQKR-UHFFFAOYSA-N 408.977 5.061 0 1 HKAF C[C@]12CC[C@@H]3[C@]45CCC[C@@](C)(C(=O)OC4)[C@@H]5CC[C@@]3(C)[C@@H]1Cc1cc(O)ccc1O2 102217580 HFVKLEZASUROTL-PFCQETGDSA-N 410.554 5.262 0 1 HKAF CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 103222294 OASGUUSUZSAIFL-HXUWFJFHSA-N 413.304 6.259 0 1 HKAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1c1ccc(-c2ccc(C)cc2)o1 103995562 YKPZLXLAKYLUSU-HFEWCJDKSA-N 409.482 5.456 0 1 HKAF CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CCCCN)C(=O)O 117572316 JJUHWJQHBPFMJW-DYYZXQNHSA-N 410.643 5.722 0 1 HKAF CC(=O)O[C@@H]1O[C@H](OC(C)=O)[C@@H]2[C@H]1CC[C@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]12C 140228326 OUTIJRXSHCICIB-GCCWLEAFSA-N 406.563 5.070 0 1 HKAF CC(C)(C)NC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1-c1ccccc1 142601440 FQQHMRSWVZMRCH-QHCPKHFHSA-N 416.496 5.105 0 1 HKAF Cc1ccc(-c2ccc(CN(C)c3nc(-c4ccccc4C(C)C)ncc3C)cc2)cn1 169341224 TVJBRAQIWHHJKX-UHFFFAOYSA-N 422.576 6.582 0 1 HKAF CCCCN(CCCC)C(=O)c1cccc2c(-c3ccc4c(c3)OCO4)cccc12 169349634 NHJPJLYZUMXRRG-UHFFFAOYSA-N 403.522 6.278 0 1 HKAF CC1=NC(C)=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)[C@@H]1C(=O)Nc1ccccc1 169724993 KFDFDPABWDTBAV-FYYLOGMGSA-N 413.477 5.005 0 1 HKAF Cc1ccc(S(=O)(=O)c2cnc3cc(F)ccc3c2N2CCC(C)CC2)cc1C 201535100 MTIPCSFRLWHPPA-UHFFFAOYSA-N 412.530 5.060 0 1 HKAF C[C@H]1[C@H](O)CC[C@H]2[C@@H]3CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C 238755290 FRRPUSYZJQBRAG-ZSKFRUEMSA-N 414.718 7.859 0 1 HKAF CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H]5CCCC(C)(C)[C@@]5(C)CC[C@]4(C)C3=CC[C@@H]12 238769339 NINOWLHIYZJIFS-QOGOZEPLSA-N 424.713 8.377 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3 261516995 CYEADWAQMXQSDD-HKVDFDHHSA-N 400.691 7.923 0 1 HKAF Cc1cccc(-c2ccccc2)c1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586879436 QWKRLGCHTSWRPJ-UHFFFAOYSA-N 420.356 7.243 0 1 HKAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 586888636 LMQCPZHTQMJHEZ-MGPLVRAMSA-N 413.237 5.490 0 1 HKAF Oc1ccc(-c2ccccc2-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 586898042 FVJNBEVKWLRYEB-UHFFFAOYSA-N 422.328 6.640 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2cc3cn[nH]c3cc2[nH]1 586982424 WXZPDKNVVHRWOQ-UHFFFAOYSA-N 413.319 5.828 0 1 HKAF CC(=O)[C@H](C/C=C\c1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990708 FIKUAEAJYLSVHG-KWEPMOPPSA-N 419.480 5.928 0 1 HKAF Brc1ccc(-c2ccc(/C=C/c3nc4ccc5ncccc5c4[nH]3)o2)cc1 586998361 KEOHIYILDKVQCE-XYOKQWHBSA-N 416.278 6.304 0 1 HKAF FC(F)(F)c1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Cl 587050086 OMSBSFNPMBWLPZ-YUMQZZPRSA-N 405.634 6.813 0 1 HKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(Br)cnc4[nH]3)c2)cc1 587067685 KQIMPHGMQBYCOT-UHFFFAOYSA-N 414.690 5.200 0 1 HKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587069375 IYXNFGTWBNFIAT-VIFPVBQESA-N 417.765 5.642 0 1 HKAF O=C(Nc1cccc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1)c1ccc(F)cc1 587163308 OJKQPHYZXDMVMU-UHFFFAOYSA-N 401.228 5.323 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@H]2Cn2ccnc2)[C@@H]1c1ccc(F)cc1 587342321 MYXGSPAGFQKBGW-UODBTFMRSA-N 420.484 5.106 0 1 HKAF CC(C)CC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352469 JKXGLAXQOCYAQG-AHWVRZQESA-N 404.481 6.222 0 1 HKAF O=C1c2ccc(O)cc2OC2(CCC(Cc3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 587354425 QPHNSXKZXAXIHB-AUZHMDRFSA-N 416.492 6.062 0 1 HKAF COc1cccc(-c2cc(-c3ccc(OCCF)cc3)nc3c2oc2ccccc23)c1 587358511 CGYKVRILXHELAP-UHFFFAOYSA-N 413.448 6.672 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(Cl)cc4)nc4ccccn14)[C@@H](C2)C3=O 587424077 WWEGMJWZAFWJSN-XDHUDOTRSA-N 416.864 5.152 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc(Cl)cc1C)CC2=O 587459865 DUTURSUTXDFNCO-QFIPXVFZSA-N 401.890 5.059 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCCCCCCCCCC[C@@H](C)C1)CC2=O 587481405 LRGCFGOKZQUGEY-ZBLYBZFDSA-N 414.630 7.770 0 1 HKAF O=C1C[C@]2(CCCOc3c(Br)cccc32)Oc2c1ccc1c2CCCC1 587495980 HHRDUMIFZZOECH-QFIPXVFZSA-N 413.311 5.361 0 1 HKAF C[C@@]1(c2nc3ccccc3n2C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558571 XCTKYDVFUNTXKR-WZONZLPQSA-N 422.387 5.014 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(Cc1ccccc1)Cc1ccccc1 587603420 OKFPZWJTCBXBGJ-RUZDIDTESA-N 422.480 5.578 0 1 HKAF CC(C)c1ccc2c(c1)[C@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613783 YZFIZUAVUNZPHG-RDGATRHJSA-N 402.446 5.155 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)c3ccccc3Br)c(C(F)(F)F)[nH]c12 587624894 WBPNSWBGEBJIKJ-UHFFFAOYSA-N 416.624 6.142 0 1 HKAF O=C(c1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12)C(F)(F)Br 587627805 CJMBALKEERBQTQ-UHFFFAOYSA-N 402.597 5.798 0 1 HKAF O=C(c1c(-c2ccc(Cl)cc2Cl)[nH]c2ccc(F)c(Cl)c12)C(F)(F)F 587628534 NHQLRLJDNAKLOD-UHFFFAOYSA-N 410.581 6.679 0 1 HKAF CCOC(=O)c1c(-c2c(F)c(F)c(F)c(F)c2F)[nH]c2cc(Cl)c(F)cc12 587629633 UXUDRZFSPJXFJS-UHFFFAOYSA-N 407.697 5.500 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(Br)c3)c(C(=O)C(F)(F)F)c2c1 587639723 CDLOOEMULRVYRS-LLVKDONJSA-N 424.260 6.856 0 1 HKAF Cc1ccc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc2c1 587704592 JRWMHZCIRFEQIA-WYRIXSBYSA-N 419.725 5.722 0 1 HKAF C[C@@H](c1ccc(C(F)(F)F)cc1)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587712899 MBCHYPPEWVYEEC-DDBGAENHSA-N 416.256 5.986 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 587831508 XOXJUGQKBBSZES-ZSEKCTLFSA-N 400.291 5.780 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(COCc3ccccc3)n2)cc1 587922675 GYSXGQQUMBIVFD-UHFFFAOYSA-N 414.505 6.814 0 1 HKAF CCCCOc1cc2nc([C@H](CC)O[C@@H]3CCC[C@@H](C)C3)[nH]c2cc1Br 587951627 XAHPARUWDAJROF-CLCXKQKWSA-N 423.395 6.551 0 1 HKAF CC[C@H](C)Oc1ccccc1[C@@H]1c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962631420 DVSWRGGRJQUPRI-VSPOGIRPSA-N 412.577 5.700 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]12CC(C)(C)Oc1ccc(Br)cc12 963232557 SUVXSIIMIZZJLV-MWTRTKDXSA-N 414.387 5.910 0 1 HKAF CCC[C@@H](C)N1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2)CC1 1772590234 CDBZANQVCKRWKL-LJQANCHMSA-N 413.993 6.027 0 1 HKAF O=C(O)c1ccc(-n2cc(C(=O)c3c(Cl)cccc3Cl)c3ccccc32)cc1 1857545611 MYHNQIQWDRXLHS-UHFFFAOYSA-N 410.256 5.867 0 1 HKAF CC(C=CC[C@@H](C)C=C1OC(=O)C(C)=C1O)=CCCc1coc(Cc2ccoc2)c1 2356539446 OUGIFGOZPCMDTF-GOSISDBHSA-N 408.494 6.197 0 1 HKAF C[C@@H](CSc1ccc(Br)cc1)CN1CC[C@H](C(C)(C)C)CCC1=O 36382935 AOFRIOYDYYZLPJ-HZPDHXFCSA-N 412.437 5.852 0 3 HKAF COc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccc(C)cc2)cc1OC 72135926 XSNFOPSJMIAXLH-UHFFFAOYSA-N 408.501 6.071 0 3 HKAF Oc1ccc2c(c1)CCN(c1ccccc1)[C@H]2c1ccc(OCCN2CCCC2)cc1 838695 HMBSMLATJKWAHH-MHZLTWQESA-N 414.549 5.019 0 1 HKAF CCCCCC[C@@]1(c2ccccc2)CC(=O)[C@@H](SCCc2ccccc2)C(=O)O1 17720300 CUWRUSVMGVDZOP-NOZRDPDXSA-N 410.579 5.713 0 1 HKAF Cc1ccc2c(c1Br)N[C@H]1[C@H](Cc3cccc4ccccc34)NCC[C@@H]21 26674435 UCLCHOONYIGMMV-JAXLGGSGSA-N 407.355 5.393 0 1 HKAF Cc1ccc(C)c(C[C@H]2N=C(c3ccc(O)cc3)c3cc(Cl)ccc3N(C)C2=O)c1 26992139 VGKRMNPTIYEHKB-JOCHJYFZSA-N 418.924 5.088 0 1 HKAF Cc1c(OCCCCOc2ccc3c(c2)OCCC3)ccc(C(=O)CC(C)C)c1O 28524373 RCKKBEPQRYZBHF-UHFFFAOYSA-N 412.526 5.492 0 1 HKAF C(=C/c1sc(Nc2ccccc2)n[n+]1-c1ccccc1)\c1ccc2c(c1)OCO2 29063990 PGQZXPJZOFDMCL-WYMLVPIESA-N 400.483 5.063 0 1 HKAF O=C1N(CCCCCCOc2ccc(-c3ccoc3)cc2)CCN1c1ccncc1 29400951 XCKYVJOOWJBPFQ-UHFFFAOYSA-N 405.498 5.223 0 1 HKAF COc1ccccc1NC(=S)N[C@@H]1CC(C)(C)Oc2ccc(Br)cc21 40395035 YOBAVTGWSRCIHE-OAHLLOKOSA-N 421.360 5.047 0 1 HKAF CCn1c(Nc2ccc(C)cc2Cl)nc2cnc(Oc3c(F)cccc3F)nc21 40565855 FASGCMDUPJVZTG-UHFFFAOYSA-N 415.831 5.622 0 1 HKAF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3[nH]c4c(F)cccc4c3[C@H]21 64415800 YMBHVSPMMDFOKI-ZRJLEYOISA-N 419.540 6.816 0 1 HKAF Cc1cccc(-c2nc(NCc3ccccc3)ncc2C(=O)N[C@H]2CCCC[C@H]2C)c1 82145403 ZWWFSOYDHMBCGM-XXBNENTESA-N 414.553 5.373 0 1 HKAF Cn1c2ccccc2c2cc([C@@H]3CC(c4ccc(Br)cc4)=NN3)ccc21 84690854 VMWZEZFVBBDGKT-FQEVSTJZSA-N 404.311 5.533 0 1 HKAF c1cc(-c2ccc(OCCN3CCCCC3)cc2)ccc1OCCCN1CCCCC1 96921543 VALHVXDJMNJPGN-UHFFFAOYSA-N 422.613 5.473 0 1 HKAF CC[C@H](C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccncc1 100703387 UGVLSVWFYFCTNY-BLLLJJGKSA-N 410.543 5.318 0 1 HKAF CSc1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)cc1 103868142 XJBIHLSSPMGGOI-BCHFMIIMSA-N 412.558 7.038 0 1 HKAF NC1(c2ccc(-c3nc4ccc(-n5cccn5)cn4c3-c3ccccc3)cc2)CCC1 113655040 XXQGWNIKFHCTIN-UHFFFAOYSA-N 405.505 5.192 0 1 HKAF O=C(c1ccc(Oc2ncccc2-c2cnn(C3CC3)c2)cc1)c1nc2ccccc2[nH]1 139338912 KUXDJWLFMOIFAQ-UHFFFAOYSA-N 421.460 5.180 0 1 HKAF C[C@H](NC(=O)N1CCc2ccccc2[C@H]1c1ccc(C(F)(F)F)cc1)C(F)(F)F 148047224 OGMWZDQYXGKSBP-YVEFUNNKSA-N 416.365 5.313 0 1 HKAF CCCCC1([C@H](O)/C=C/[C@H]2CCC(=O)[C@@H]2CCCCCCCCC(=O)O)CCC1 169315214 QYZWGTJQKWCRIU-BTHLHJAVSA-N 406.607 6.065 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CN=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)c1c(F)cccc1F 169714169 ZVOZPZBEWNXSAO-NYGDPNORSA-N 413.508 5.420 0 1 HKAF O=C(NCc1ccc(C(F)(F)F)cc1)c1ccccc1NC(=O)C1CCCCC1 224976840 XCCXTLYZVSETTK-UHFFFAOYSA-N 404.432 5.154 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](OC(=O)CCc3ccccc3O)CCC[C@@]21C 299860323 JBQJYSSNUQJPHO-SEPILKMOSA-N 414.630 6.915 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cccc(Br)c3[nH]2)c1 586880098 YLVHEIHSJQNVFX-UHFFFAOYSA-N 405.295 5.840 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2cc(OC)c(C)cc2[nH]1 586980946 BPRBMELAPIPVNZ-UHFFFAOYSA-N 417.347 6.269 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(OC(F)(F)F)ccc3O)nc3ccc(O)c1c23 586985243 BNUFXIYYRJJIBG-UHFFFAOYSA-N 423.346 5.423 0 1 HKAF Cc1cc(C)c(NC(=O)Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(C)c1 586997662 VEPPPBLHPMGZRL-UHFFFAOYSA-N 420.512 5.861 0 1 HKAF Fc1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1Br 587015994 MPLVGQVXLYEDTQ-UHFFFAOYSA-N 408.683 5.908 0 1 HKAF CC(C)(C)c1cccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c12 587019614 QYVAYZZGNKZMOW-UHFFFAOYSA-N 405.527 5.552 0 1 HKAF Clc1cc(Br)cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 587021294 HDHQNMKWQSBONC-UHFFFAOYSA-N 404.720 5.693 0 1 HKAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc5ncccc5c4[nH]3)c2C1 587033525 IENYHTBHYHXDFI-UHFFFAOYSA-N 406.511 5.133 0 1 HKAF CC(C)COc1cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2cc1Br 587084154 IBVPGWBHQWZANS-UHFFFAOYSA-N 420.738 5.489 0 1 HKAF FC(F)(F)COc1cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)ccn1 587092528 VKZXOSPRIDJFSL-UHFFFAOYSA-N 401.413 5.717 0 1 HKAF O=C1c2ccccc2-c2cc(-c3c(F)cc(Br)cc3F)nc3cccc1c23 587103243 JHPXFSXJBYIJCX-UHFFFAOYSA-N 422.228 6.154 0 1 HKAF COc1cc(OC)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1C(C)=O 587106144 FSDNGDGOQLBOCK-UHFFFAOYSA-N 409.441 5.333 0 1 HKAF Cc1cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587143839 BFUFSRCYGJRXOS-UHFFFAOYSA-N 418.321 5.599 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(OC)c(C)cc4[nH]3)c(F)c2)c1 587147708 YGUZVOZYFZDAPJ-UHFFFAOYSA-N 406.413 5.060 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCc3ccc(Cl)nc32)[C@@H]1c1ccc(F)cc1 587330749 OYVZXECPJAIQDO-NFBKMPQASA-N 409.844 5.170 0 1 HKAF CSc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F 587330839 IOBJDNRVVLAHEA-FYYLOGMGSA-N 412.457 5.667 0 1 HKAF C[C@@]1(c2ccc3c4c(cccc24)CC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352410 JDAIVCNJOXLFDL-IAPPQJPRSA-N 424.471 6.057 0 1 HKAF CCOc1cc(OC)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353287 YPTVBBOPNNNVOK-UKILVPOCSA-N 422.452 5.213 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1cccc(Cl)c1)(c1ccccc1Cl)[C@@H](C2)C3=O 587420410 OUWHCUHZAHGTCW-MBSDFSHPSA-N 411.284 5.693 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(C)cc(CN4CCC[C@@H](C)C4)c1C)[C@@H](C2)C3=O 587435201 DLWVLULVBBXWDD-BUTVSGKSSA-N 405.538 5.033 0 1 HKAF CCO[C@@H](c1ccccc1)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439580 BOVUICGWLUCQIF-QGUKFAFCSA-N 400.474 5.116 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c(F)ccc(Br)c31)CC2=O 587469595 AWULCNKJDOCOHO-FQEVSTJZSA-N 405.263 5.053 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCCCc3ccccc3)c1)CC2=O 587485962 XQURZGVUGATTCL-AREMUKBSSA-N 416.517 6.063 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC(C)(C)CC(=O)O)(c1ccc(C)cc1)CC2=O 587488420 IWRZHUJVKSSZRN-RUZDIDTESA-N 410.510 5.405 0 1 HKAF CCOC(=O)C[C@@]1(Cc2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587510249 XXUBOJQCIBFPQL-XMMPIXPASA-N 412.913 5.119 0 1 HKAF CCOC(=O)C[C@@]1(c2ccc3ccccc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587522205 GEDXKZVWBOKSAZ-HHHXNRCGSA-N 414.501 5.533 0 1 HKAF Cc1ccc([C@H](O)[C@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587530893 WJSIYRDHRPFXOT-WUFINQPMSA-N 412.529 5.777 0 1 HKAF O=C1C[C@]2(C[C@H](c3ccccc3)Oc3cc(O)ccc32)Oc2c1ccc1c2CCCC1 587536704 VXQDXTCXLHKNGK-XNMGPUDCSA-N 412.485 5.656 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1ccco1 587545021 FZXIKZQUFTUOHN-URXFXBBRSA-N 418.832 5.544 0 1 HKAF COc1cccc2cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)oc12 587616162 IYNIVBGRWIEMME-HYBUGGRVSA-N 402.402 5.024 0 1 HKAF CCCCc1c(-c2ccc(N)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628590 WKPPBOPBSITBLR-UHFFFAOYSA-N 400.366 6.797 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cc(Cl)ccc3n2)N1 587697847 MZYFCAKIYWWIJV-APBUJDDRSA-N 405.698 5.413 0 1 HKAF CC(C)[C@]1(c2cccc(Cl)c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587726380 WZUAGYAFHPKOAW-JEOXALJRSA-N 414.721 5.815 0 1 HKAF C[C@H]1C[C@@]2(CCN1Cc1ccccc1)N[C@H](C)Cc1ccc(F)c(Br)c12 587759619 HBRSYVOUBZTUHI-ZMPRRUGASA-N 417.366 5.002 0 1 HKAF CCOC(OCC)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587794578 OYTQRHVXRDBDCV-RNODOKPDSA-N 422.338 5.283 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(C(C)(C)C)N1 587813561 PBMIXEPSUIASPN-QRQCRPRQSA-N 404.367 5.997 0 1 HKAF COc1ccc(-c2cccc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c2)cc1 587936676 YFBANJAEHCEXNR-UHFFFAOYSA-N 408.526 7.057 0 1 HKAF CC[C@@]1(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)CC(=O)c2ccccc2C1 587960076 KINAWKLRBHQYMZ-FQEVSTJZSA-N 406.835 6.003 0 1 HKAF COc1ccc2c(c1OC)[C@](C)(c1ccc(SC3CCCC3)cc1)N(C)[C@@H](C)C2 962617086 BRLXPZUDCMYDDJ-GKVSMKOHSA-N 411.611 5.878 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(Cl)cc2)(c2cccc(C)c2)N1 962955484 MOBZGYXLMKHVBJ-RLWLMLJZSA-N 400.953 6.346 0 1 HKAF COc1ccc(-n2c(-c3ccc(Oc4ccccc4)cc3)nc3ccccc3c2=O)cc1 1772575391 UXVZBQIWVCQEPP-UHFFFAOYSA-N 420.468 5.854 0 1 HKAF CN(C)CCOC(=O)c1ccc(NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1 1772582628 YYUJMZNIFGEROA-UHFFFAOYSA-N 424.585 5.252 0 1 HKAF CC(C)=CCCC(C)=CCOc1cc(O)c2c(c1)O[C@@H](c1ccc(O)cc1)CC2=O 2356557677 WTJXQLRTGAFRSC-HSZRJFAPSA-N 408.494 5.876 0 1 HKAF CCC=Cc1cc(OC)c2c(c1)[C@H](CC)[C@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)O2 2356678349 BKCYIUQVIIDCLV-CYFREDJKSA-N 424.493 5.596 0 1 HKAF CC(C=C[C@]1(C)CC[C@H](C)C(=O)[C@@H]1C)=CCc1c(O)c(Cl)c(C)c(C=O)c1O 2356705942 JZPUVJNTXDTYIV-LZDHAAFVSA-N 404.934 5.559 0 1 HKAF CCO[C@]1(Cc2ccccc2)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 13671525 TXSSZDWFIBTUCV-LWMBYGOMSA-N 408.626 6.616 0 1 HKAF CC(C)(CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O 13729711 LLOIWCULINVBNX-UHFFFAOYSA-N 403.522 6.466 0 1 HKAF CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2C(=O)c2ccccc2)c1 13732364 OMUMLNYJHYDQDZ-UHFFFAOYSA-N 408.505 5.302 0 1 HKAF CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(C(F)(F)F)c2)cc1 13814331 PNKQYVNKYVDKMJ-UHFFFAOYSA-N 416.487 5.373 0 1 HKAF CC(C)C[C@H](O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 13862269 KBGILBFLWIHATK-GGSGTRPYSA-N 402.663 6.360 0 1 HKAF Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1F 13862274 LURXXDDCAZBYBX-UHFFFAOYSA-N 421.531 6.373 0 1 HKAF CC(C)=CCC[C@]12c3cc4c(cc3CC[C@@]1(C)[C@H](C)CC[C@@H]2O)[nH]c1ccccc14 14824450 BWCQRIGHZTXFEA-AIERRPMVSA-N 401.594 7.049 0 1 HKAF CCN(c1cccc2ccccc12)[C@H]1CCCc2nc(-c3ccccc3)cc(OC)c21 29053402 PRKJAWWJGFDLOL-SANMLTNESA-N 408.545 6.814 0 1 HKAF CC(=O)Nc1ccc2[nH]c(C)c/c(=N/c3ccc(OCC4CCCCC4)cc3)c2c1 29342790 QJXLMIZWRBFNRV-UHFFFAOYSA-N 403.526 5.626 0 1 HKAF CC(=O)NCCc1cccc2ccc(-c3ccc4cccc(CCNC(C)=O)c4c3)cc12 34011971 ZTXLDRRVIWDNRF-UHFFFAOYSA-N 424.544 5.017 0 1 HKAF CCC(=O)n1c2ccccc2c2cc(CN3CCC4(C=Cc5ccccc54)CC3)ccc21 34106109 FYDHQFNPFFMBCH-UHFFFAOYSA-N 420.556 6.405 0 1 HKAF CCCC[C@H]1CSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1 49033335 LZMKZXBLUSHGGU-SFHVURJKSA-N 410.612 6.024 0 1 HKAF COc1ccc(Cn2ccc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc32)cc1 64548426 QSOAMPBHXPSPJY-UHFFFAOYSA-N 414.387 5.130 0 1 HKAF C[n+]1cc(N(CCCCCC2CCCCC2)c2cccc(Cl)c2)cc2ccccc21 66166386 CQVIYGHQQNPFBK-UHFFFAOYSA-N 422.036 7.597 0 1 HKAF CC(C)=CCN(Cc1ccccc1Cl)c1ccc(C(=O)NCc2cccnc2)cc1 72107831 LKUNRLSPWZYUFV-UHFFFAOYSA-N 419.956 5.638 0 1 HKAF CCCC(CCC)(CNC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 72114233 RLZBHNDILLUPCN-UHFFFAOYSA-N 424.604 5.692 0 1 HKAF C[C@H](c1ccc(F)cn1)N1CCC2(CC1)O[C@H](c1cc(Cl)ccn1)c1ccccc12 73387973 UMTQBBVFVBRUPB-MWTRTKDXSA-N 423.919 5.441 0 1 HKAF CCCc1nc2c(NCc3cccc(C(F)(F)F)c3)ncnc2n1C[C@H](C)CC 82179024 ROSYCHRZFCQYSK-CQSZACIVSA-N 405.468 5.456 0 1 HKAF CCOP(=O)(OCC)[C@@H](Cc1cccc(C)c1)c1sc2ccccc2c1C 84635100 IOLMGELFICNBDC-FQEVSTJZSA-N 402.496 7.068 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@@]3(C)C(=C2C1)CC(=O)[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]13C 86030092 MQILTVJSXIHHGW-KYXUQXNBSA-N 424.713 8.521 0 1 HKAF in-man CC(=N)n1c(=N)ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)cc21 100627935 AALVALRERVYCLE-UHFFFAOYSA-N 407.521 5.033 0 1 HKAF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)OCc1ccccc1)[C@@H](c1ccc(Cl)c(Cl)c1)C2 100958529 QFEVQBUJEXGMJH-DGQTTZFYSA-N 404.337 5.303 0 1 HKAF Cc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nn32)cc1 103948378 WBGQPGITGKWQLD-OAQYLSRUSA-N 402.523 5.550 0 1 HKAF N#Cc1cccc(S(=O)(=O)c2cnc3cc(F)ccc3c2-c2cccc(Cl)c2)c1 115918540 LVITUGCDYKTFFD-UHFFFAOYSA-N 422.868 5.399 0 1 HKAF Cc1ccc(NC(=O)c2cccc3cc(-c4cccc5[nH]nc(N)c45)ccc23)c(F)c1 169350180 SGIYXSFINJQNOJ-UHFFFAOYSA-N 410.452 5.665 0 1 HKAF Fc1cccc(CNc2cccc(-c3cc(NC4CCOCC4)ncc3Cl)n2)c1 169703742 JCOMZLXSXWGRNX-UHFFFAOYSA-N 412.896 5.139 0 1 HKAF O[C@@H](CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc2ccccc2c1 200625126 GBCZMMJQSKAXEH-QHCPKHFHSA-N 414.471 5.104 0 1 HKAF C/C=C(/C)C(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@@H](CC[C@@H]32)[C@](CO)(OC)C4)C1(C)C 238763168 URSQOXNVGMLBOM-IMPXQLLHSA-N 418.618 5.285 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@H]1[C@@H](O)C3 256543459 BHMYRYNHHQYGTN-MDTPYDFHSA-N 414.674 6.814 0 1 HKAF endogenous,in-man O=C1O[C@H](c2c(Cl)cccc2Cl)CC(O)=C1Sc1ccccc1Cl 299822701 DDLCHXMXOONKTL-ZDUSSCGKSA-N 401.698 6.197 0 1 HKAF Cc1ccc2c(c1)nc(C)n2S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C 299867011 PRAPDENWWAHPKB-UHFFFAOYSA-N 412.599 6.260 0 1 HKAF Cc1cc2nc(-c3ccc(-c4nnc(-c5ccccc5Cl)o4)cc3)[nH]c2cc1C 473135426 PGUBUBUILBAFQP-UHFFFAOYSA-N 400.869 6.217 0 1 HKAF CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2ncccc2O)cc1 474609597 QXSFCBSNNSYZFO-UHFFFAOYSA-N 416.930 5.206 0 1 HKAF OCc1ccccc1-c1cccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 586895008 KOEBJJUNUMTFRY-UHFFFAOYSA-N 413.702 5.805 0 1 HKAF OCc1ccccc1-c1cccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 586895294 WEBZFKQBWPNXEB-UHFFFAOYSA-N 402.803 6.061 0 1 HKAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc(C(C)(C)C)cc3[nH]2)cc1 586949564 YSEREDRSYWGXFA-UHFFFAOYSA-N 419.550 5.637 0 1 HKAF COC(=O)c1cccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 586976565 WDBRGWNDGUKXDB-UHFFFAOYSA-N 400.059 5.086 0 1 HKAF Brc1c(OCc2nc3cnc4ccccc4c3[nH]2)ccc2ccccc12 587002504 VPBYXOUAEGCFOG-UHFFFAOYSA-N 404.267 5.606 0 1 HKAF FC(F)(F)c1cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2cc1Br 587026520 VFYUHADMIHVGNZ-UHFFFAOYSA-N 423.257 6.740 0 1 HKAF Cc1cc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Cl 587072288 QLMJVRNGEIEQJV-HCQSCWASSA-N 405.756 7.198 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(Br)c(C)c2[nH]1 587073722 KNNUCRXOCAEDDX-UHFFFAOYSA-N 411.730 6.930 0 1 HKAF FC(F)(F)Sc1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587073744 LYCOJADTMSOVNN-QGZVFWFLSA-N 411.880 6.165 0 1 HKAF Fc1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1Br 587081832 HIAKQEUWKRBFKC-UHFFFAOYSA-N 421.657 5.018 0 1 HKAF FC(F)(F)c1ccccc1Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587106500 IAYVBMUBHPFYME-UHFFFAOYSA-N 423.154 5.954 0 1 HKAF CCOC(=O)COc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587106579 LSAJLRLDIGFPSY-UHFFFAOYSA-N 409.441 5.055 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)ccc2F)cc1 587139206 BLWQLBBIVFVYJY-UHFFFAOYSA-N 416.349 6.397 0 1 HKAF CC(C)(C)c1ccc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2c1 587153804 DMUXBBQXWIGSDC-UHFFFAOYSA-N 417.484 5.684 0 1 HKAF CC[C@H](Oc1ccccc1F)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587156567 WFBKITMQGBCSIE-ZDUSSCGKSA-N 417.200 6.013 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cc(Cl)ccc3C(=O)O)cc1)O2 587376462 DAOHREXNRWNVGU-OAQYLSRUSA-N 407.853 5.302 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Br)cc(C(F)(F)F)c1)O2 587381738 KTZBGVVVVYJMNU-KRWDZBQOSA-N 414.221 5.239 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1sc4ccccc4c1Br)[C@@H](C2)C3=O 587454615 ZCLUPXRWFBSWQW-KPZWWZAWSA-N 401.281 5.161 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(-c3ccc(Cl)cc3)c1C)CC2=O 587462073 NDMNFXHCWCFNEA-NRFANRHFSA-N 410.901 5.507 0 1 HKAF O=C(O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1F 587501432 BOYLTQUPLMWKCQ-XMMPIXPASA-N 416.448 5.776 0 1 HKAF CC(C)(C)OC(=O)N1[C@H]2CCC[C@@H]1C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587518271 DPPLLVZHWVLYOJ-FLJMWOENSA-N 411.542 5.221 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccs2)cc1F 587553278 GGQLWLAHIAVHSV-QPPBQGQZSA-N 418.445 5.963 0 1 HKAF CC[C@H](C)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC 587590332 BZVXXVLKYISILA-PZQJFTFDSA-N 404.462 5.617 0 1 HKAF O=C(c1ccccc1)c1c(-c2ccc(Br)cc2)[nH]c2c(C(=O)O)cccc12 587636867 MXKZTLACUINBRC-UHFFFAOYSA-N 420.262 5.527 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccc(Cl)c(Cl)c2)N1 587695642 OIQMVORBQKBMTP-MGNBDDOMSA-N 417.149 6.103 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccncc2)N1 587778925 OYFRDUDNNSEFPF-OYHNWAKOSA-N 411.318 5.004 0 1 HKAF CCCCCCOc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587791937 KDVZXZAJGYNTBV-OYHNWAKOSA-N 420.366 6.171 0 1 HKAF Cc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587813840 FBZVODLAARAHDW-MWTRTKDXSA-N 410.330 5.723 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)C(c1ccccc1)=C2c1ccccc1 587818805 FOEUUZJWLKGQCY-OAHLLOKOSA-N 420.325 5.942 0 1 HKAF COc1ccc2c(c1OC)[C@](C)(c1cccc(Oc3ccccc3)c1)N(C)[C@@H](C)C2 962639685 QQVRBSCZQYQJDB-QYBDOPJKSA-N 403.522 5.636 0 1 HKAF Fc1ccc(OCc2ccc([C@@H]3NCCc4cc(-c5ccccc5)ccc43)o2)c(F)c1 962668880 YKZBDTOYBHTELF-AREMUKBSSA-N 417.455 6.039 0 1 HKAF C[C@@]1(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963099473 HKVUZVALWDAVGY-GHTZIAJQSA-N 406.423 5.109 0 1 HKAF CNc1cccc2c1[C@@]1(NCCc3c(Cl)cc(Cl)cc31)c1ccccc1C2=O 963111972 SRCZMDJSRAAHBW-HSZRJFAPSA-N 409.316 5.017 0 1 HKAF COc1ccc(CC[C@]2(c3ccc(Cl)cc3F)NCCc3ccc(O)cc32)cc1 963342707 SDIWTBWQVOABIF-XMMPIXPASA-N 411.904 5.215 0 1 HKAF CN1C(=O)CCc2ccc(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)cc21 1772613314 RKBUWZDAGOVIBD-UHFFFAOYSA-N 422.479 5.018 0 1 HKAF Cc1ccc(F)c(NC(=O)Nc2csc(-c3cc4ccccc4n3C(=N)O)c2)c1 1772629619 CQDOXHFBAAMQPJ-UHFFFAOYSA-N 408.458 5.802 0 1 HKAF Cc1cc(-c2ncc(CNC(=O)c3ccc4c(c3)oc3ccccc34)cc2F)ccn1 1772649898 JMWKQIKOIQORME-UHFFFAOYSA-N 411.436 5.421 0 1 HKAF CC(=O)OC1=C(c2ccc3c(c2)OCO3)Oc2cc3ccccc3cc2-n2cccc21 1857556918 UIWVANMTCWWHTF-UHFFFAOYSA-N 411.413 5.141 0 1 HKAF Cc1cccc(C)c1-c1cccc(COc2ccc(N3C(=O)CC[C@H]3C(=O)O)cc2)c1 1857656259 BVOWZMOLEIEMNW-QHCPKHFHSA-N 415.489 5.129 0 1 HKAF CO[C@@H]1c2occc2[C@H](O)C[C@@H]2[C@]1(C)C[C@H]1[C@]2(C)CC[C@H]2C(C)(C)CCC[C@]21C 2356615809 MRMQROGLXJNWRO-ACKLXKNDSA-N 400.603 6.679 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)C[C@H](O)[C@]4(C)C3=CC[C@]12C 2356634187 AZXDOKXVRMMDJJ-PZVQLYJMSA-N 414.674 6.526 0 1 HKAF CC(C)C[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1ccc(Cl)cc1c2=O 61921322 ACZBXWQFWUWKSL-FQEVSTJZSA-N 417.896 5.023 0 3 HKAF COc1ccc([C@](C)(NC(C)=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 61927346 QEXVHLMMPDDEHS-FQEVSTJZSA-N 420.456 5.237 0 3 HKAF CN(Cc1ccc(Cl)cc1)[C@H](C(=O)NC1CCCCC1)c1ccnc2ccccc12 72142491 BJFLZOODJXDASJ-DEOSSOPVSA-N 421.972 5.510 0 3 HKAF CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 5908524 KYOFIJXMVNQYFC-OCXKASJTSA-N 412.702 8.233 0 1 HKAF biogenic O=c1cc(NC2CCN(Cc3ccc4[nH]ccc4c3)CC2)c2cc(Cl)ccc2o1 13673205 BFIQZZJZWAZAOI-UHFFFAOYSA-N 407.901 5.004 0 1 HKAF COc1ccc(-c2noc([C@H]3[C@@H](c4ccc(Cl)cc4)C[C@@H]4CC[C@H]3N4C)n2)cc1 13833075 UHKLODIEZLNQLP-KCLUMXDGSA-N 409.917 5.133 0 1 HKAF CC/C=C/C/C=C/C/C=C/CCCCCCCCOC(=O)c1c(O)oc(CO)c1O 26968487 NNEYQKYFQFCLFC-IUQGRGSQSA-N 420.546 5.929 0 1 HKAF COc1ccc2ccccc2c1-c1cccc(CC(=O)N(C)CCc2ccccc2)c1 27207015 NUPRTOOLRNHUKL-UHFFFAOYSA-N 409.529 5.759 0 1 HKAF C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@]21OC[C@H](c2ccccc2)O1 28523610 XNIUAXSBXHRMHT-DSITVLBTSA-N 402.469 5.235 0 1 HKAF CN(C)Cc1cc(OCCCN2CCCCC2)ccc1OCc1ccccc1Cl 28703634 HMXWPBGRFLJEDH-UHFFFAOYSA-N 416.993 5.235 0 1 HKAF CN(C)CCOc1ccc([C@@H](c2ccccc2)c2ccc(Cl)cc2)c2ccccc12 28955530 WHSHHSCFXNQAER-MHZLTWQESA-N 415.964 6.614 0 1 HKAF CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N(C)c1ccccc1 29054510 BGVMOAYPPKYPSF-DEOSSOPVSA-N 400.566 6.396 0 1 HKAF COc1c(OC)c(OC(=O)C(C)(C)C)c2cc(C)ccc2c1OC(=O)C(C)(C)C 29311982 ZIDILNBXDSMXQX-UHFFFAOYSA-N 402.487 5.068 0 1 HKAF C/C(=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](C)C(C)C 39011127 MNBTWOPOWPOHGH-IZIYXJCYSA-N 410.686 7.721 0 1 HKAF Cc1cccc(Nc2nc(-c3ccncc3-c3cn(Cc4ccccc4)nn3)cs2)c1 72113643 IWICPBCZNSOJKX-UHFFFAOYSA-N 424.533 5.564 0 1 HKAF CCN1C[C@H](C(=O)OC2CCCCC2)C[C@H]2c3cccc4c3c(cn4C(C)C)C[C@H]21 78920045 JOXZPGZYPLJYPY-WNOPAQSVSA-N 408.586 5.448 0 1 HKAF OC1CCC(N2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 96907880 KDWHBVHXYOAVDU-UHFFFAOYSA-N 408.973 5.035 0 1 HKAF CC(=O)Nc1ccc(-c2n[nH]c3c2Cc2cc(CN[C@H]4CC[C@H](C)CC4)ccc2-3)cc1 101110327 VHFOPTWBFCFHMH-NBEIKUQISA-N 414.553 5.275 0 1 HKAF O=C(O)c1ccccc1N1[C@@H](c2ccccc2)[C@@]12C(c1ccccc1)=Nc1ccccc12 103276166 PZYONBNJBIMXJR-VOBZMJECSA-N 416.480 5.976 0 1 HKAF CCOc1ccccc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OCc1ccccc1 103544360 BDTSWKQLHVNTPX-XMMPIXPASA-N 417.505 5.637 0 1 HKAF CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccsc2)C2=C(O)CC(C)(C)CC2=N1 104003984 CPTBLWMTNOUBQP-HXUWFJFHSA-N 407.539 5.535 0 1 HKAF CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 104689714 QCSYFSPVSIIZDN-OAQYLSRUSA-N 407.901 5.490 0 1 HKAF Cc1cccc(-c2[nH]c(CNc3cccc(C(C)C)c3)nc2-c2ccc3ncnn3c2)n1 113392114 UHMNRFDJJZPMTE-UHFFFAOYSA-N 423.524 5.225 0 1 HKAF C/C(=C\C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 120409103 ICOBDHPNAUQIMP-CEWZHKPDSA-N 400.691 7.635 0 1 HKAF Cc1[nH]c(C)c(-c2ccc(OCc3ccccc3C(F)(F)F)nc2)c(=O)c1Cl 145811492 BLGHRRWOMWOELW-UHFFFAOYSA-N 408.807 5.305 0 1 HKAF CC(C)=CCN1C(=O)[C@@]2(O[C@@H](C)CC3=CCC[C@@H]32)c2c(Br)cccc21 169355501 WNIVGPRDFFPVKC-HTZUNMPGSA-N 402.332 5.102 0 1 HKAF Cc1cc2c(c(=O)o1)C[C@@H]1[C@](C)(CC[C@H]3[C@@]1(C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@@]13C)O2 169669091 XVYAFRIRAFSVGL-KFCOXGNHSA-N 414.586 5.272 0 1 HKAF CC(=O)OC1[C@H]2CC[C@H]1[C@@H]1[C@@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 195516705 SBDFAYSYHLEGJM-ZWQOFUAOSA-N 424.966 5.036 0 1 HKAF CC(C)=C(C)CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C(=O)O3 238766787 XBLCKYCBDPEWDW-GOZBUJHGSA-N 414.630 6.564 0 1 HKAF CC[C@H](/C=C\[C@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(C)C 255222146 JZVFJDZBLUFKCA-JURGTTLLSA-N 412.702 7.801 0 1 HKAF COc1cccc([C@H]2CC[C@@H](N3CCN(c4cccc5ccccc45)CC3)CC2)c1 261162211 RBBSEEBITXSZAO-PEPAQOBHSA-N 400.566 5.697 0 1 HKAF CCCCCn1cc([C@@H](c2ccccc2)c2oc(CO)cc(=O)c2O)c2ccccc21 299831941 PCFQBFRDXBKKDC-XMMPIXPASA-N 417.505 5.163 0 1 HKAF Cc1ccc2c3c(cc(-c4cccc(OC(F)(F)F)c4)nc13)-c1ccccc1C2=O 586994937 GKMDHGZJXOIKOP-UHFFFAOYSA-N 405.375 6.320 0 1 HKAF CC(C)(C)c1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2n1 587018070 SEVMNVJXDCSDIR-UHFFFAOYSA-N 400.511 5.671 0 1 HKAF Oc1nc(S)nc2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc12 587051681 SDJWKXCNTRJSJS-UHFFFAOYSA-N 404.882 5.488 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cccc(OC(F)(F)F)c2[nH]1 587073686 JZUSOTXVXIXXDB-UHFFFAOYSA-N 402.803 6.757 0 1 HKAF Cc1ccc2c3c(c([C@@H](C)c4cn(C)c5ccccc45)cnc13)-c1ccccc1C2=O 587098327 QCXFBUVIMVSBIO-QGZVFWFLSA-N 402.497 6.398 0 1 HKAF FC(F)(F)c1nn(CCc2nc3cccc(C(F)(F)F)c3[nH]2)c(C2CC2)c1Cl 587116270 BHPOXBVOOPMRGU-UHFFFAOYSA-N 422.760 5.571 0 1 HKAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)cc2N1 587125900 HJKKBCDIXSCTCP-JMCQJSRRSA-N 421.370 5.346 0 1 HKAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c(F)c2)c1 587138261 FRHBENBTGIQOJQ-UHFFFAOYSA-N 422.387 5.035 0 1 HKAF Cc1ccc(/C=C\c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1F 587146237 FPMGNMNEXWBICJ-PLNGDYQASA-N 415.184 5.842 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2([C@H]3C[C@H]4C[C@@H]2C[C@@](Cl)(C4)C3)[C@H]1c1ccc(F)cc1 587328814 VXFNINHHWFPBPC-PIZNUVBQSA-N 412.888 5.447 0 1 HKAF CC(C)[C@]1(c2cc(F)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337800 VWRBCCHFMPDPIM-LADGPHEKSA-N 412.407 5.720 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCc3c(Cl)cc(F)cc32)[C@@H]1c1ccc(F)cc1 587338605 TYJUITGEZIKMRB-GGAORHGYSA-N 412.819 5.524 0 1 HKAF O=C1c2ccc(O)cc2OC(c2ccccc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 587354471 NLBNMXCQLSMQNR-VWLOTQADSA-N 410.444 5.834 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2c2ccccc2)[C@H]1c1ccc(F)cc1 587355362 UQBGGZWQGBSWBD-GVUKDKGQSA-N 402.465 5.987 0 1 HKAF COc1cccc(-c2c(C)c(-c3cc(F)cc(F)c3)nc3c2oc2ccccc23)c1 587360205 LKPPLVMNQHZWEJ-UHFFFAOYSA-N 401.412 6.910 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C[C@@](C)(c2ccccc2)C3)c1 587366329 KZCFEMLJGUSPCI-GDLZYMKVSA-N 417.508 7.184 0 1 HKAF Cc1ccc([C@]2(c3ccc(Br)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587370512 FPKHWFLCDQNXBW-QHCPKHFHSA-N 422.322 5.557 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1c(C)nc3ccc(C)cc3c1Cl)O2 587379252 GTEMIZCAYHARMK-XMMPIXPASA-N 408.929 5.752 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3cccc(Cl)c3)c1Cl)O2 587379269 HBEXMJMBIRZQRP-QGZVFWFLSA-N 402.281 5.085 0 1 HKAF Cc1ccc(-c2ccc(O[C@@H](C)[C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 587401545 SGOQVNUEJRZRSB-QYBDOPJKSA-N 401.506 5.744 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(Cl)cc4)[nH]c4ccccc14)[C@@H](C2)C3=O 587421761 MXKFLGJWGCSKBU-AVRWGWEMSA-N 415.876 5.986 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccc(F)cc4)c4ccccc14)[C@@H](C2)C3=O 587429493 VGDSLLVUHFGSCF-FNZWTVRRSA-N 413.448 5.326 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)(c1ccc(C)c(C)c1)CC2=O 587479256 CQPLXJIAUZSUDV-MHZLTWQESA-N 400.518 6.065 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H]1CCC[C@@H](C(=O)O)C1)CC2=O 587479984 DISRIJIYDGCGCJ-QDKQFYOWSA-N 408.494 5.096 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(-c3ccccc3)ccc1OCC)CC2=O 587481592 QTBQZRPMZNRFCB-VWLOTQADSA-N 402.490 6.117 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCC(C)C)c(OCC)c1)CC2=O 587482362 NRWOLHLGWXPNBP-HSZRJFAPSA-N 412.526 5.875 0 1 HKAF O=C1C[C@@]2(CCCOc3c(Br)cccc32)Oc2c1ccc1c2CCCC1 587495975 HHRDUMIFZZOECH-JOCHJYFZSA-N 413.311 5.361 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cnc(OC)cc3C)s1)CC2=O 587496485 YNDXFAQPVFWFJO-LJQANCHMSA-N 409.507 5.492 0 1 HKAF C[C@@]1(c2ccc(-c3cccc(Cl)c3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498262 DRUXAHQYTDDGBU-SANMLTNESA-N 402.921 6.766 0 1 HKAF O=C1C[C@@](c2ccccc2)(c2cc(F)c(F)c(F)c2)Oc2c1ccc1c2CCCC1 587504454 KCWAZLZDHXZTDX-RUZDIDTESA-N 408.419 5.892 0 1 HKAF CC(C)(C)OC(=O)NCc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587513725 UDTTVHKYHAVLNJ-QFIPXVFZSA-N 407.510 5.297 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccncc2)cc1F 587553336 GOGHRGYTZSRXCM-WIOPSUGQSA-N 413.404 5.296 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)(F)F)c(F)c1 587555000 KBXKJPLAPBOIJI-PXNSSMCTSA-N 420.314 5.133 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2F)o1 587568068 KQSHGBYSXGANJD-XUZZJYLKSA-N 402.377 5.494 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1cccs1 587572928 UGGMCBWMRXJILT-ZJSXRUAMSA-N 418.445 5.498 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC2CCCCC2)nc1 587587437 MWSUUNXMSGQNQR-DHLKQENFSA-N 417.461 5.202 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(C(=O)c3ccc(Cl)cc3)c2c1 587639639 BAOYIFZVMMEOJK-HNNXBMFYSA-N 422.355 7.886 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)c(C(=O)C(F)(F)F)c2c1 587640244 GNWAOROQWJZVAT-LLVKDONJSA-N 413.361 7.112 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C)cc3O)c(C(=O)c3cccc(F)c3)c2c1 587641492 JJMDXNLFWKTYBA-INIZCTEOSA-N 401.481 6.733 0 1 HKAF CS(=O)(=O)c1ccc2[nH]c(-c3cccc4ccccc34)c(C(=O)C(F)(F)F)c2c1 587649602 QZILLMWLVLMXAU-UHFFFAOYSA-N 417.408 5.137 0 1 HKAF CC(C)C[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587703525 QSHWMMKYVYBCSL-RNODOKPDSA-N 410.758 6.066 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2ccc(Cl)cc2)N1 587704099 SAMRIOYYUFKWLY-YOKYIZADSA-N 423.757 5.095 0 1 HKAF CC(C)Cn1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 587755992 IYFVNJILTLHHMP-XCLFUZPHSA-N 416.338 5.218 0 1 HKAF CCOc1nc2ccccc2cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587776439 CPDZJCVXDWWAIS-YUNKPMOVSA-N 415.306 5.159 0 1 HKAF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(C)C 587791892 JIVMXLKALUXURU-LRTDBIEQSA-N 422.338 5.255 0 1 HKAF CCOc1ccc2[nH]cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587800155 APJIJGDIJGOOTA-GIPWTMENSA-N 403.295 5.092 0 1 HKAF CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC 587801169 JHDHWVQECXKJFH-FKIZINRSSA-N 408.311 5.009 0 1 HKAF CCOc1cc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)C 587801821 NWAIINZJEUVXSI-FPTDNZKUSA-N 420.366 6.042 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OC2CCCC2)N1 587813348 VFVQJMOFVYZNOO-ASSNKEHSSA-N 404.323 5.533 0 1 HKAF CCCC[C@@H]1Cc2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587822908 NRISASAQNHDWNY-ORHBMQHOSA-N 402.351 5.729 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3cccs3)cs2)N1 587851738 IZMAGPQOWASJCI-MGNBDDOMSA-N 408.361 6.002 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2c(C)c(Cl)ccc2s1 587863624 FJSUOESSSVHEIJ-UHFFFAOYSA-N 423.847 6.138 0 1 HKAF Cc1ccc(C)c(Cc2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)c1 587922358 CAVVZBMFQXUDEC-UHFFFAOYSA-N 412.533 7.305 0 1 HKAF Fc1cnc(Br)c2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc12 587949476 HVRNYVYBRIJPPZ-KHPPLWFESA-N 410.246 5.822 0 1 HKAF Cc1cc(C)c(-c2csc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)c(C)c1 653799348 NEZIIRBVROAHAZ-FMIVXFBMSA-N 404.579 6.685 0 1 HKAF Fc1c(Br)ccc(Cl)c1[C@@H]1NCCc2cccc(-c3ccccc3)c21 962669772 SLJURSKCLGZJAX-OAQYLSRUSA-N 416.721 6.144 0 1 HKAF Cc1ccc([C@]2(c3ccccc3C(=O)O)NCCc3c(Cl)cc(Cl)cc32)s1 963115310 ZZYHZLVYMFEIPN-OAQYLSRUSA-N 418.345 5.499 0 1 HKAF CN1CCc2c(Br)cccc2[C@@]1(c1ccc(F)cc1)c1ccccc1F 963289004 HFYGKYVENWHXDD-QFIPXVFZSA-N 414.293 5.507 0 1 HKAF CCC(C)(C)[C@]1(c2cccc(Cl)c2Cl)NCC(C)(C)c2cc3c(cc21)OCO3 963390304 HHOGJXUODXGRHU-HSZRJFAPSA-N 420.380 6.283 0 1 HKAF COc1ccc(CN=c2[nH]c3nc4c(c(-c5ccccc5)c3s2)CCCCC4)cc1 1857560195 PUGBZUDRZNMCAW-UHFFFAOYSA-N 415.562 5.670 0 1 HKAF Clc1cccc(N2CCN(CCCSc3nc4ccc(Cl)cc4[nH]3)CC2)c1 1911576650 WBTXKKHVUUYNFJ-UHFFFAOYSA-N 421.397 5.174 0 1 HKAF C[C@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(F)c1)c1ccc2c(c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c1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O 2356781803 BYNSAEDEZFVSHZ-QHCPKHFHSA-N 408.494 6.050 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)CC3=CC[C@]12O 2356802366 SDGAIHVWQSMGOY-NOYHLHGKSA-N 416.690 6.750 0 1 HKAF C[C@@]1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCN1Cc1ccccc1OC(F)F 61906820 JMVUXXPGZNHHRR-IBGZPJMESA-N 415.267 5.198 0 3 HKAF C[C@]1(Cc2ccc(Cl)cc2)C(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21 61908526 OILVFPBMGFRINO-JOCHJYFZSA-N 400.280 6.252 0 3 HKAF CC(C)c1ccccc1-c1nc(NCc2ccc(-c3cccnc3)cc2)c2occc2n1 169339893 CTWJXIOHGJUZQD-UHFFFAOYSA-N 420.516 6.687 0 3 HKAF CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2cccs2)C2=C(O)CC(C)(C)CC2=N1 5095235 TYHNUAACFNCHTF-OAQYLSRUSA-N 410.514 5.970 0 1 HKAF Cc1ccc(NC(=O)CCN2C(=O)c3ccccc3Sc3ncccc32)c(Cl)c1 8588830 GFILVNTUWIRXHY-UHFFFAOYSA-N 423.925 5.184 0 1 HKAF C/C=C(\CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 13548870 MCWVPSBQQXUCTB-YMXWHZCSSA-N 412.702 7.945 0 1 HKAF O=C(Nc1cc(Cl)cc(Cl)c1)c1cnc(N2CCCCC2)nc1C(F)(F)F 13555180 SLJGPGQFDVGRJP-UHFFFAOYSA-N 419.234 5.045 0 1 HKAF C[C@](Cc1ccc(Cl)cc1)(Oc1ccccc1Cc1ccc(Cl)cc1)C(=O)O 13604844 DEYFJUGADQRTBG-HSZRJFAPSA-N 415.316 6.049 0 1 HKAF CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)C3CCCCC3)c2)s1 13673382 VWLHLJROFSNQEA-UHFFFAOYSA-N 405.567 6.262 0 1 HKAF CCCN(CCC)CCc1cc(Br)ccc1OCCc1ccccc1 13795748 SHQDABGNGKOVJS-UHFFFAOYSA-N 404.392 5.735 0 1 HKAF CCCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 13823674 PRNMZEKWMFUSQN-UHFFFAOYSA-N 412.917 5.175 0 1 HKAF CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](C)[C@](C)(CCc2ccoc2)[C@@H]2CCC=C(C)[C@@]12C 15155306 DANLEYGFRIKRTE-IRUQYQAUSA-N 402.531 5.094 0 1 HKAF biogenic COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccc(C)cc2)cc1)C3 26166586 VRRMSKNGCUBGOY-LXZKGEBSSA-N 401.550 5.339 0 1 HKAF O=c1cc(-c2ccccc2)oc2cc(OCCCNC3CCCCCCC3)ccc12 27109217 CTJNVFSYFBQJSM-UHFFFAOYSA-N 405.538 5.931 0 1 HKAF CC[C@@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(Cc4ccccc4)oc3C)ccc21 28565422 PRGLXNBASSGNQE-GGAORHGYSA-N 419.521 5.336 0 1 HKAF O=C(Nc1ccc(Cl)cc1)OCCCCN1CCC(OCc2ccccc2)CC1 28650713 BTLPMPJMTSKASK-UHFFFAOYSA-N 416.949 5.350 0 1 HKAF CCC1=C(c2ccccc2)c2ccc(OC[C@@H](O)CO)cc2SCc2ccccc21 33889752 AVLURXTUGTUGMU-FQEVSTJZSA-N 418.558 5.393 0 1 HKAF Clc1ccc([C@H]2NC(N3CCCCC3)=NC3=C2CCc2ccccc23)c(Cl)c1 45299375 FASXYLQXJOYINO-JOCHJYFZSA-N 412.364 5.837 0 1 HKAF O=C(NCC1(c2ccc(F)cc2)CCCCC1)[C@H]1CCCCN1Cc1ccccc1 72113069 BPPAJOIICZUQBF-XMMPIXPASA-N 408.561 5.199 0 1 HKAF COc1ccc2nc(-c3cccc(-c4nc5ccccn5c4NC(C)(C)C)c3)[nH]c2c1 73159311 ISCVINRUZPXLTR-UHFFFAOYSA-N 411.509 5.764 0 1 HKAF COc1ccccc1CNc1ncc(-c2nc(C)c(C)o2)c(-c2ccccc2F)n1 82176023 DUBLXOGPPCOSMN-UHFFFAOYSA-N 404.445 5.175 0 1 HKAF CC[C@H](C)Cn1c(-c2ccsc2)nc2c(NCCc3cccc(F)c3)ncnc21 82179575 KXFMROGWLWZXPB-HNNXBMFYSA-N 409.534 5.395 0 1 HKAF O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1)c1sccc1-c1cccc(Cl)c1 84690652 PETFWXXCWFKNPI-IBGZPJMESA-N 414.933 5.212 0 1 HKAF COc1c(CC=C(C)C)c(O)cc2c1[C@H]1Oc3cc4c(cc3[C@@H]1CO2)C=CC(C)(C)O4 85955992 SVHCNENPWOPFOI-BVZFJXPGSA-N 420.505 5.703 0 1 HKAF endogenous,in-man COc1ccc(-c2[nH]c3ccccc3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 95597572 KQMVVEPCZZNKBU-UHFFFAOYSA-N 417.461 5.100 0 1 HKAF CCN(CC)C(=O)[C@H]1Sc2cc(OCCF)ccc2-c2c1c1ccccc1n2C 96909221 HGLLKLAWIRKNPN-QFIPXVFZSA-N 412.530 5.209 0 1 HKAF CCOC(=O)[C@]12C[C@]1(c1ccc(-c3ccccc3)cc1)c1cc(Cl)ccc1NC2=O 101394864 ICNIQJRZECJZDR-LOSJGSFVSA-N 417.892 5.198 0 1 HKAF CC1(C)[C@@H]2C=C(CN3CCC(NC(=O)Nc4ccc(Cl)c(Cl)c4)CC3)[C@@H]1CC2 101779217 ZHCQGEQHIUXPJR-YJBOKZPZSA-N 422.400 5.572 0 1 HKAF COc1ccc(Nn2c(SCC(=O)c3ccc(Cl)cc3)nc(C)c2C)cc1 103244278 WJIMTNVCCCFEDQ-UHFFFAOYSA-N 401.919 5.012 0 1 HKAF CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(C(F)(F)F)cc2)C2=C(O)CCCC2=N1 103540620 ZHAQDNHLQWFONI-FQEVSTJZSA-N 419.443 5.999 0 1 HKAF Cc1ccc(N2CCc3ncnc(N[C@@H](C)c4ccc(Cl)cc4Cl)c3C2)nc1 114995092 CLBSVPYCZLWSCF-AWEZNQCLSA-N 414.340 5.223 0 1 HKAF CC(C)(C)c1cc(-c2nc3nc(-c4ccccc4C(F)(F)F)cc(Cl)c3[nH]2)on1 118912106 RAPIBVOAQFQKJR-UHFFFAOYSA-N 420.822 6.250 0 1 HKAF COc1ccnc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2ccccc2)c1 167388766 JHDAZDIJSXFJGK-NRFANRHFSA-N 402.494 5.020 0 1 HKAF C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@@]43C)[C@@H]1CCC2=O 169314951 FXJBFSBELBAUFO-QFIJVNEDSA-N 413.565 5.409 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(OC)cc2)cc1)C3 195083014 AMHYXJZDPUGVJV-SKVSKLNUSA-N 417.549 5.039 0 1 HKAF C/C(=C\[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)[C@H](C)C(C)C 257484779 MNBTWOPOWPOHGH-BDRFBMCTSA-N 410.686 7.721 0 1 HKAF endogenous,in-man CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 261515987 ARJBYZCJCNTGQM-XQCWDQNDSA-N 400.647 6.280 0 1 HKAF C[C@@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@H](OCc2ccccc2)C[C@]2(C)[C@H]1CC[C@]21CO1 299847695 BUOMVIXMSPNQOU-GZEPPPJBSA-N 410.598 5.354 0 1 HKAF Fc1ccccc1CN1CCC(NCCCCCCn2ccc3ccccc32)CC1 299861746 ISEKSDTZKHMDQP-UHFFFAOYSA-N 407.577 5.595 0 1 HKAF O=C1c2ccccc2-c2cc(C=C(C(F)(F)F)C(F)(F)F)nc3ccc(O)c1c23 586986581 NPBYYZSASUQXDC-UHFFFAOYSA-N 409.285 5.660 0 1 HKAF COc1cc(OC)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1OC 587096296 CANWPAFFKYLAFP-UHFFFAOYSA-N 411.457 5.447 0 1 HKAF CC/C=C\C[C@@H]1c2nc3c(C)ccc4c3c(c2C[C@H]1CC(=O)O)-c1ccccc1C4=O 587100627 MVRLAYGCYAJXHP-FEFZKZJHSA-N 411.501 5.842 0 1 HKAF COc1cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2cc1C 587119795 FTBWXUCGNWZIEY-UHFFFAOYSA-N 423.398 5.275 0 1 HKAF FC(F)(F)Sc1ccc(/C=C/c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 587123545 DKFLFOUGXHHENS-ZZXKWVIFSA-N 422.781 7.017 0 1 HKAF CC(=O)Nc1cccc(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 587242905 YAFRRJSODOWXRX-UHFFFAOYSA-N 401.310 5.150 0 1 HKAF Cc1cc(Br)cc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c12 587247954 ZGINRLIRPOECPO-UHFFFAOYSA-N 422.326 6.049 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(C=COc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 587328267 IXSWQLWAWCSQNC-GGAORHGYSA-N 408.812 5.345 0 1 HKAF Cc1ccc(Cl)c2c1[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332065 QQGYXTGWBWAZSA-ZJSXRUAMSA-N 424.855 5.530 0 1 HKAF Cc1cc(C)n([C@@H]2CCC[C@]3(C2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)n1 587343477 TYRAPLOSRHVYOT-RZPHLTDDSA-N 420.484 5.258 0 1 HKAF Cc1ccc2oc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2n1 587345737 KIYAIHSPFJXHPC-LADGPHEKSA-N 403.409 5.255 0 1 HKAF COc1cccc(-c2c([C@@H]3CCOC3)c(-c3ccccc3)nc3c2oc2ccccc23)c1 587366250 NELASMHFKZRVPW-HXUWFJFHSA-N 421.496 6.828 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)[C@@H](c3ccccc3)C1)O2 587392545 BQMGUFHEGNLQLL-CJFMBICVSA-N 422.525 5.053 0 1 HKAF COc1ccc(-c2[nH]c3ccccc3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C 587398011 ZTFJCOGJLFHZJK-HSZRJFAPSA-N 412.489 5.749 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc3ccc(Br)cc3[nH]1)CC2=O 587461592 XSIAWNKEXHZPEH-IBGZPJMESA-N 400.272 5.295 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1cccc(F)c1)(c1ccc(F)cc1)CC2=O 587465543 FNSRMOIKDNDOHX-VWLOTQADSA-N 408.444 5.726 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1ccc(C(=O)O)c(F)c1)CC2=O 587465770 HJNFJPHHRWCWJW-HSZRJFAPSA-N 420.436 5.556 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)([C@H](C(=O)OCC)C(C)C)CC2=O 587481510 NACPACADFOBPHM-OZXSUGGESA-N 424.537 5.127 0 1 HKAF Cc1c(F)cccc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587559419 XHNMGJDEFGDVFW-RDGATRHJSA-N 416.404 5.803 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1COc1ccccc12 587606497 DHSGCYGKEOCNJR-SQHAQQRYSA-N 422.436 5.190 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3cccc(OC(F)F)c3)[nH]c12 587624690 RNMUVZNLRQADDV-UHFFFAOYSA-N 403.734 6.143 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(C2CCCC2)N1 587704800 VRLQELYMIKGNJN-ZSEKCTLFSA-N 422.769 6.210 0 1 HKAF Cc1cccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587709876 OKUOTYSUYIUQFI-GTNSWQLSSA-N 402.229 5.237 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)c3ccccc23)N1 587732582 NDGROETYWVUATH-QKVFXAPYSA-N 402.282 5.678 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(N)cc3)o2)N1 587748436 XCWQKBYRXFDRPM-YBTHPKLGSA-N 401.279 5.054 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC=C(NNc3ccccc3)C2)N1 587750239 RZFJSFMSMKKNOK-LHSJRXKWSA-N 416.338 5.002 0 1 HKAF COc1ccccc1C[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587804890 CYZNSHVUKFEDRC-SPLOXXLWSA-N 406.339 5.225 0 1 HKAF Cc1cccc(-c2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 587819750 NFTCQKOAIHVOGX-CMJOXMDJSA-N 410.330 6.187 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)CCC(C)(C)O3)N1 587835075 UPUAWEIGKDYFJA-FKIZINRSSA-N 404.323 5.315 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1c(Cl)cc(F)cc1Cl 587861103 NFGGVKXAYFNAFD-UHFFFAOYSA-N 405.178 6.013 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3cccc(Cl)c3)n2)cc1 587923166 SCUHUQJZXKDQFE-UHFFFAOYSA-N 404.897 7.418 0 1 HKAF CCCCOc1ccc(OCCCC)n1-c1cnc2cc(Br)ccc2c1 587940169 NEBOTTCJNDKRQA-UHFFFAOYSA-N 417.347 6.146 0 1 HKAF CC(C)Oc1cc(-n2c(-c3ccccc3)ccc2-c2ccccc2)c(Cl)cc1Cl 587942875 DSDPQDOPTOGYRB-UHFFFAOYSA-N 422.355 7.905 0 1 HKAF COC(=O)c1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1OC 587951149 WXYXGAKSWFKXLG-NTCAYCPXSA-N 400.434 5.321 0 1 HKAF CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCN3CCCCC3)cc12 653723671 YKROVKJJRGYMEV-UHFFFAOYSA-N 420.553 5.039 0 1 HKAF C[C@]1(c2ncc(-c3ccccc3)[nH]2)Cc2c([nH]c3ccccc23)[C@@H](C2CCOCC2)N1 653742701 VMVCWWJIBFEZGN-ZEQKJWHPSA-N 412.537 5.087 0 1 HKAF CC(C)c1nc([C@@]2(C)c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)co1 961744653 AGLZHDPKWHMOCH-XMMPIXPASA-N 411.546 5.213 0 1 HKAF CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1[C@@H]1NCCc2cc(-c3ccccc3)ccc21 962668904 RGYOZOWYFMFYPK-XFAFFCHDSA-N 420.597 6.014 0 1 HKAF c1ccc(-c2cccc3c2[C@]2(C[C@H](c4ccccc4)Oc4ccccc42)NCC3)cc1 962672322 XZCJXPYNUVAQHL-XRKRLSELSA-N 403.525 6.267 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)CCC[C@]31c2cccc(F)c2CCN1[C@@H]1CCSC1 962713325 RGOCHZCXARLRAR-NSYGIPOTSA-N 406.570 5.559 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2ccc(F)c(F)c2Br)N1 962945644 JIFJWIZZXMNOQL-PRWKNARSSA-N 405.286 5.396 0 1 HKAF C[C@H]1Cc2ccc(Cl)cc2[C@]12NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962953527 IZVQRUDDGFRTHG-FPTDNZKUSA-N 421.890 5.446 0 1 HKAF COc1cc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(C)=O)cc(Cl)c1OC 1772609190 UFZRHSNHCGRLQR-NRFANRHFSA-N 408.885 5.208 0 1 HKAF Cc1cc(-c2nc(-c3ccc(C(F)(F)F)c(C)c3)n3c2CCOCC3)cc(C)n1 1772654658 GUMNHNFARVZUKV-UHFFFAOYSA-N 401.432 5.129 0 1 HKAF C[C@]1(C2CCCCC2)O[C@@]2([C@@H]3CCC[C@@H](Cc4ccc(=N)[nH]c4)C3)CC[C@H]1[C@@H](N)C2 2356292418 GUPREHWSCHTEKF-HJHBYYFJSA-N 411.634 5.078 0 1 HKAF Cc1nc(C=C[C@H](O)CC=CCCC[C@H](C)[C@@H](O)[C@@H](C)C(=O)C(C)(C)C)cs1 2356337228 SQZGLNJGLTXCMY-XWDORNJCSA-N 407.620 5.191 0 1 HKAF CO[C@@H]1C=C(C)[C@]2(C)CC[C@H](C)[C@@](C)(CCC(=CCOC(C)=O)COC(C)=O)[C@@H]2C1 2356559903 PHTFVFDGQMBALN-MMXROVNTSA-N 420.590 5.243 0 1 HKAF CC(C)=CCCC(C)=CCc1cc([C@@H]2COc3cc(O)cc(O)c3C2=O)c(O)cc1O 2356655072 WHMBQYBYAQQJRN-IBGZPJMESA-N 424.493 5.103 0 1 HKAF CC(=CC(=O)O)C=C(C)C=C(C)C=CC=CC=C(C)[C@@H]1OC(=O)C(C)=C(O)C1(C)C 2356834230 KMLFNHCEOOZYJG-QHCPKHFHSA-N 412.526 5.752 0 1 HKAF CC[C@@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(-c2ccccc2)cc1 2483441 ULQZAVAIVXCUTQ-UTKZUKDTSA-N 420.553 5.443 0 1 HKAF CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCc1ccccc1OC 4295272 HJKBFKVXMJJIMN-RPWUZVMVSA-N 424.541 5.034 0 1 HKAF CCO[C@@H](Cc1ccc(OCCC2c3ccccc3Oc3ccccc32)cc1)C(=O)O 12358183 DSPWOPXVRYCAHU-VWLOTQADSA-N 418.489 5.426 0 1 HKAF CC(C)N(C(=O)[C@@H]1C[C@@H]2CC[C@H]3[C@H](CC[C@@]4(C)[C@@H]3CCC(=O)N4C)[C@@]2(C)C1)C(C)C 27898384 VMAUAPIAAHKASV-IJUBORFESA-N 416.650 5.111 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@@H](O)CO 32840955 HDIQCISTZKHUDO-AJWITYRPSA-N 404.591 5.585 0 1 HKAF endogenous,in-man CCN(CC)CCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 40568375 RVUGDFSDYNAWGY-UHFFFAOYSA-N 418.537 5.335 0 1 HKAF CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@@]1(C)[C@@H]3CCc4cocc4[C@@]3(C)CC[C@@H]12 45290899 SOCWJJCWFLDOKZ-GWYOOKKSSA-N 412.614 6.686 0 1 HKAF COc1ccccc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(C)cc1 49803855 CSDHQBMXPXZRCA-GPXNEJASSA-N 420.509 5.848 0 1 HKAF CN(C)CCCN1c2ccc(NCc3cnc[nH]3)cc2Sc2ccc(Cl)cc21 53276069 AAMXQWBFKPPDRM-UHFFFAOYSA-N 413.978 5.230 0 1 HKAF O=C(N[C@@H](CCc1ccccc1)C(=O)c1nc2ccccc2o1)OCC1CCCCC1 82064501 MLLBTIOLMSLPOV-NRFANRHFSA-N 420.509 5.318 0 1 HKAF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccc(F)cc1 82136266 IZJXWRGQHRCHRS-JTSKRJEESA-N 424.564 5.583 0 1 HKAF Cc1cccc(-c2nc(NCc3ccccc3)ncc2C(=O)N[C@@H]2CCCC[C@@H]2C)c1 82145397 ZWWFSOYDHMBCGM-WMZHIEFXSA-N 414.553 5.373 0 1 HKAF CCCC[C@H](Nc1nc(-c2cccc(OC)c2)cs1)C(=O)NCc1ccc(C)cc1 82195599 HKWMWTIFTMBBLI-NRFANRHFSA-N 423.582 5.414 0 1 HKAF COc1ccc(-c2oc3ccccc3c2C(=O)c2c(O)cc(OC)cc2OC)cc1 96922063 KFPSVZFAZBMOLR-UHFFFAOYSA-N 404.418 5.062 0 1 HKAF CN(C)c1cccc(-c2ccc3c(c2)-c2[nH]c4ccc(C(C)(C)C)cc4c2CC(=O)N3)c1 96923500 SQBXIIAZKOKGOG-UHFFFAOYSA-N 423.560 6.360 0 1 HKAF COc1ccc(OC)c([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccc4ccccc4c32)c1 100704134 ASTQUGPWMJWPKX-RUZDIDTESA-N 413.517 6.707 0 1 HKAF CC(C)c1ccccc1-n1cc(CN2CCN(c3ccccc3)CC2)c2ccccc21 103265567 BEEFPDDBLXDSFY-UHFFFAOYSA-N 409.577 6.076 0 1 HKAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(c1ccccc1)CCN2CCCCc1ccccc1 169314787 ATCCNBMEPYAEEA-GJDOKZOISA-N 411.589 5.968 0 1 HKAF COc1ccccc1NC(=O)Nc1cc(C2(C(F)(F)F)CC2)nn1-c1ccccc1 299824185 KSNBEOPAVLDAQF-UHFFFAOYSA-N 416.403 5.119 0 1 HKAF FC(F)(F)Oc1cc(Br)cc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586883819 LTDHWGFCFMNHOC-WOLPVMLTSA-N 415.253 5.692 0 1 HKAF COc1cc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cc1Cl 586983012 SWYVFUMKLFSNNF-AWEZNQCLSA-N 421.766 6.360 0 1 HKAF Cc1c(-c2ccc(Cl)c(Cl)c2O)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586986231 PQQIFZVFWVFRFN-UHFFFAOYSA-N 422.267 6.140 0 1 HKAF Cc1ccc2c3c(cc(-c4cccc(Br)n4)nc13)-c1ccccc1C2=O 586993375 LAWZPARJPWEZFP-UHFFFAOYSA-N 401.263 5.579 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(Br)ccn4)nc13)-c1ccccc1C2=O 586994370 YRDHPRGOKHPNJN-UHFFFAOYSA-N 401.263 5.579 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(Cl)c(Cl)cc4F)nc13)-c1ccccc1C2=O 586994675 BRBYINISJWHQTQ-UHFFFAOYSA-N 408.259 6.868 0 1 HKAF Cc1c(Br)cc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1C 587006560 GXFCPRHYGJMQCB-UHFFFAOYSA-N 420.108 5.019 0 1 HKAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(N)ncc2[nH]1 587018443 BHDMCZMLNPJMLJ-UHFFFAOYSA-N 404.326 5.296 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(F)c(-n5cccn5)cc4[nH]3)c21 587030463 FACIDAKRKYHJLY-CQSZACIVSA-N 417.513 5.847 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cncc(Cl)c4[nH]3)c(Cl)cc12 587078690 ZQCRHEAFLHDDJE-JTQLQIEISA-N 418.280 5.464 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(F)c(F)c2[nH]1 587088187 UPYWSHNIPQZAMD-RMKNXTFCSA-N 419.262 5.872 0 1 HKAF O=C(O)CCc1c(-c2ccc(Cl)cn2)nc2cccc3c2c1-c1ccccc1C3=O 587104621 VHBYJQOAFDLNIT-UHFFFAOYSA-N 414.848 5.179 0 1 HKAF FC(F)(F)c1cc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)cc(C(F)(F)F)c1 587109975 LDOJUJGCDKLQIO-UHFFFAOYSA-N 414.136 5.893 0 1 HKAF FC(F)COc1cccc(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)n1 587130608 WKSKBSLBTYKXLQ-UHFFFAOYSA-N 408.433 5.546 0 1 HKAF CC(C)(C)c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 587183326 CJBNUEJXUDAJHR-YFHOEESVSA-N 402.279 5.635 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1c[nH]c3ccc(Br)cc13)O2 587373994 WFJFOQAPNOJUAO-OAQYLSRUSA-N 413.315 5.178 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2cccc(Cl)c2C(=O)c2c(Cl)cccc21 587380648 WVRAPSHXLJVQGE-UHFFFAOYSA-N 424.283 5.337 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccc(Br)c3)s1)O2 587409074 GASTYDWOMIZUOA-QGZVFWFLSA-N 414.324 5.775 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1OCc1cnc(Cl)s1)O2 587415196 YHNHBVQZQHZCLJ-OAQYLSRUSA-N 414.914 5.147 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc3cc(Br)ccc3[nH]1)CC2=O 587457953 DYKPYZXCHNIDFN-IBGZPJMESA-N 400.272 5.295 0 1 HKAF CCCOc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCCC 587522334 LAPAYGIQCJMLIK-SANMLTNESA-N 408.538 6.024 0 1 HKAF O=C1C[C@@]2(CCCc3sc(Br)cc32)Oc2c1ccc1c2CCCC1 587536708 ZMZURNMMAREXLM-HXUWFJFHSA-N 403.341 5.586 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cnc(Cl)cc2c1 587552067 NATGVAUUCFDASD-OFNKIYASSA-N 403.821 5.297 0 1 HKAF CCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(OC)ccc21 587579530 URCSPUARHXZKBE-DHLKQENFSA-N 415.445 5.078 0 1 HKAF CCc1ccc(-c2c[nH]nc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587596776 RVGVWAKRCHDIPX-BWKNWUBXSA-N 412.445 5.048 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1ccccc1 587601083 QPYSHOQCLNIYFR-JYFHCDHNSA-N 410.425 5.887 0 1 HKAF COc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587696461 UKBZLBCZQJUYCR-PWJLMRLQSA-N 419.121 5.527 0 1 HKAF CC[C@@]1(c2ccc(-c3ccccc3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813192 MZNICOAFJIYVDD-FYSMJZIKSA-N 424.357 6.443 0 1 HKAF Cc1cccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587815366 LWDKKAROTDHRFQ-WAIKUNEKSA-N 410.330 5.723 0 1 HKAF C/C=C/[C@]1([C@@H]2C(C)=CCCC2(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587816266 VYDICNKCEDBQCE-VJZHCVSPSA-N 406.383 6.276 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccccc1-c1ccccc12 587828641 PDMMJRFNYASRHC-NPMABZOXSA-N 422.297 5.229 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nc(-c3ccccc3)cs2)N1 587851516 CFYRRTYRUYXFMJ-MPBGBICISA-N 417.347 5.509 0 1 HKAF O=N[C@H](COc1cc(F)cc(F)c1)n1c(-c2cccs2)ccc1-c1cccs1 587945678 PEGIVQRQGQIPRZ-FQEVSTJZSA-N 416.474 6.567 0 1 HKAF Cc1ccc(C)c(Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1 587959736 UBEMZRZSTXCBLQ-UHFFFAOYSA-N 401.348 5.958 0 1 HKAF c1ccc(COc2ccc3[nH]nc(-c4nc5cc(N6CCCCC6)ccc5[nH]4)c3c2)nc1 653827663 DSAYKPYMTVBWGX-UHFFFAOYSA-N 424.508 5.071 0 1 HKAF CCN(CC)CCC[C@@]1(C)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961778312 QLKSBHIONRHUMM-VWLOTQADSA-N 415.622 5.175 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@H]1c1ccc2cccnc2c1 961781415 KBNIPTYWPOYPOB-XMMPIXPASA-N 415.537 5.476 0 1 HKAF COc1ccc2c(c1)[C@](c1ccsc1)(c1ccc(F)cc1Cl)N(C(C)C)CC2 962095836 WXOLWOSSTBUMPK-QHCPKHFHSA-N 415.961 6.108 0 1 HKAF Clc1ccc2[nH]cc([C@@H]3c4ccccc4C[C@H]4CN(c5ccccc5)CCN43)c2c1 962629933 CWODILPAARHZKF-LVXARBLLSA-N 413.952 5.658 0 1 HKAF Cc1ccc(C(C)C)c2c1[C@]1(CCO2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962699401 HOYAELHPGVWOLW-CJAUYULYSA-N 411.586 5.647 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@]2(c1ccsc1)c1ccccc1C(F)(F)F 963112277 XGTQZWCQPQKNPT-XMSQKQJNSA-N 417.471 6.218 0 1 HKAF CC(C)c1ccc2[nH]c(C(C)(C)C)c([C@@H]3c4c(F)cccc4C[C@H]4CCCN43)c2c1 963114501 UGMMOOGLJSZRSL-CLOONOSVSA-N 404.573 6.838 0 1 HKAF COc1ccc(C(C)C)cc1-c1cc(Cl)cc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772577910 SNDAWRAAJUGCGL-IBGZPJMESA-N 414.889 5.437 0 1 HKAF Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3cccc(C)c32)cc1 1772583324 GIPUQWJSEMKBFV-HSZRJFAPSA-N 414.505 5.030 0 1 HKAF C[C@H]1C[C@@]23CC[C@H]4[C@@](C)([C@@H](OC(=O)c5ccccc5)CC[C@@]4(C)C(=O)O)[C@@H]2CC[C@H]1C3 1911582741 UAXUWOWZUDAUOW-ISEYBSFDSA-N 424.581 5.956 0 1 HKAF CC1=C[C@H](CNC(=O)C2CCCCC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2n1C 2356285962 CKUWXHPABRINRZ-ZRBLBEILSA-N 421.629 5.667 0 1 HKAF CC(C)=C[C@@H](O)CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccccc1)CC2=O 2356557451 OZGKAPGLVKJUDB-JPYJTQIMSA-N 408.494 5.010 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12 2356598928 GLMLQROWOJXFJA-UHFFFAOYSA-N 406.478 5.812 0 1 HKAF CC1=C2C(=NC(=O)N(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)N(c2ccccc2)N1 104000870 NIBPMZZWIXCVKB-JOCHJYFZSA-N 414.896 5.719 0 3 HKAF O=C1c2ccc3c4ccccc4n(Cc4ccccc4)c3c2C(=O)N1c1ccccc1 1629568 RXDUZIWQGWYXFL-UHFFFAOYSA-N 402.453 5.643 0 1 HKAF CC[C@@]12CCCN(Cc3ccccc3)[C@@H]1c1c(n(C)c3ccccc13)[C@H](C(=O)OC)C2 5499998 YFCBXMUGKAVGTO-RMXYQJDTSA-N 416.565 5.572 0 1 HKAF CS(=O)(=O)c1ccc(-c2cc(-c3ccccc3)oc(=O)c2-c2ccccc2)cc1 13581298 UECQDYSDNRXIAQ-UHFFFAOYSA-N 402.471 5.044 0 1 HKAF CC(C)(CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1)C(=O)O 13729749 XGOACMYASLFVJL-UHFFFAOYSA-N 404.510 5.658 0 1 HKAF CCCn1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)O)ccc21 13742316 WBTZFMRINUFVIW-FBMGVBCBSA-N 420.509 5.337 0 1 HKAF COc1ccc(/C(C)=C/c2ccc(C(=O)O)cc2)cc1C12CC3CC(CC(C3)C1)C2 13745073 DRNWVPYRADPSNR-RQZCQDPDSA-N 402.534 6.422 0 1 HKAF CCCO/N=C/C(C)=C/[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 13809002 FJNXVRRJWRVNME-PZIBJHANSA-N 417.634 5.480 0 1 HKAF CCN(CC)C(=O)c1ccc(C(=C2CCN(CC3CC3)CC2)c2ccccc2)cc1 13814371 BCMNXLOQQXTJGI-UHFFFAOYSA-N 402.582 5.476 0 1 HKAF Nc1cc(-c2ccccc2Cl)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2 14962900 WIQAOFODRZQKAO-UHFFFAOYSA-N 418.711 6.257 0 1 HKAF CCO[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC[C@H]3c3ccoc3)[C@@]21C 27408601 VCYLUBLAOSWYSI-FJOBLORJSA-N 422.609 6.712 0 1 HKAF Clc1ccc(C2=C[C@@H]3CC[C@H](C2)N3CCOc2cccc3[nH]ccc23)cc1Cl 28372468 VQOZKEVLIXCLAX-ZWKOTPCHSA-N 413.348 6.174 0 1 HKAF CCN(CC)CCNc1nc(NCc2ccc(Cl)c(Cl)c2)nc2ccccc12 29207335 ZBYCQUCYHMAHIS-UHFFFAOYSA-N 418.372 5.302 0 1 HKAF C[C@H]1CN2C[C@H](c3ccccc3)N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1ccccc1 35075258 SNAPNZGMWUKCDZ-QLPLNKDJSA-N 410.605 5.912 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C)C[C@@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 36188559 XUTZDXHKQDPUMA-GNYWTKFVSA-N 415.706 7.174 0 1 HKAF Oc1cnccc1CCCOc1cccnc1Sc1cccc(Br)c1 39365429 LHLLAOWABYUKKG-UHFFFAOYSA-N 417.328 5.108 0 1 HKAF Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1F)C1CC1 40414137 GVNVVOHCMAIJHI-DEOSSOPVSA-N 411.480 5.504 0 1 HKAF O=c1oc(N2CCOCC2)cc2c(-c3cccc4c3sc3ccccc34)cccc12 49793069 HIXSAQJSWPMYFZ-UHFFFAOYSA-N 413.498 5.665 0 1 HKAF C[C@@H](Nc1cc(-c2[nH]c([S@@](C)=O)nc2-c2ccc(F)cc2)ccn1)c1ccccc1 71317568 LDYVDKCSGKMMHS-FOGNVHKLSA-N 420.513 5.188 0 1 HKAF O=c1c(Oc2ccc3ccccc3c2)c(Cl)cnn1Cc1cccc2ccccc12 73257281 HIWNSSWFKHSUSH-UHFFFAOYSA-N 412.876 6.044 0 1 HKAF CCCCN(CC)c1nc(NCc2cccc(C)c2)nc(Oc2ccc(OC)cc2)n1 82066181 BMFNMTYERCNYOG-UHFFFAOYSA-N 421.545 5.219 0 1 HKAF CCN(C)c1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccc(F)cc2)n1 82165193 UBJGUBOZZKVYFY-UHFFFAOYSA-N 420.513 5.538 0 1 HKAF O=C1C[C@@H](CCc2c[nH]c3ccccc23)Oc2c(Br)cc(Cl)cc21 95552872 UWRZUKJDAYEQIL-CYBMUJFWSA-N 404.691 5.550 0 1 HKAF O=C1CSC(N2N=C(c3ccc(Cl)c(Cl)c3)C[C@H]2c2ccccc2Cl)=N1 95577329 WBXTYTPVMJUOSX-INIZCTEOSA-N 424.740 5.427 0 1 HKAF Cc1ccsc1C(=CCCN(C)[C@H]1CCCC[C@@H]1C(=O)O)c1sccc1C 95585490 WVEAQTILSGURKS-HKUYNNGSSA-N 403.613 5.823 0 1 HKAF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccccc1)[C@@H](c1ccc(Cl)c(Cl)c1)C2 100958543 IYCQCLWRGXVAAB-YHBROIRLSA-N 418.364 5.346 0 1 HKAF FC(F)(F)Oc1ccc(Cl)c(CN[C@H]2CC[C@@H]3CC[C@]2(c2ccccc2)N3)c1 101037436 QJLPTGTXRGEKCS-LSTHTHJFSA-N 410.867 5.138 0 1 HKAF CCOC(=O)N[C@H]1C[C@@H]2CCCC[C@@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1 103247458 OATYAVBHSWFIAD-UJXJSONBSA-N 408.517 5.842 0 1 HKAF COc1cccc(/C=C2\OC(=O)C(Br)=C2c2cc(Cl)ccc2OC)c1 103259312 JKEPGVYWGSNVTQ-SXGWCWSVSA-N 421.674 5.061 0 1 HKAF O=S(=O)(c1ccc(Cl)cc1)c1sc2ncccc2c1-c1ccc(F)cc1F 149906763 LKNWJVIZUJOERW-UHFFFAOYSA-N 421.877 5.728 0 1 HKAF COc1ccc2[nH]cc(C(=O)Nc3cc(O)c(C(C)(C)C)cc3C(C)(C)C)c(=O)c2c1 198633179 PDOZURWECCLUSM-UHFFFAOYSA-N 422.525 5.090 0 1 HKAF C=Cc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 204171796 ZIOKWCUGWJTPRO-UHFFFAOYSA-N 411.509 5.230 0 1 HKAF O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccc(Cl)cc2)CC1 215282161 BTMHODTXWMZDEF-XBXARRHUSA-N 409.744 5.004 0 1 HKAF O=C(Nc1ccc(Cl)cc1)c1cccc(S(=O)(=O)Cc2ccc(Cl)cc2)c1 219523065 UBUMPRDBGYVFKF-UHFFFAOYSA-N 420.317 5.220 0 1 HKAF CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@]2(C)[C@H]4CC[C@H]3C1(C)C 255259454 PLKVWYPBRRRIQG-AVDICBEGSA-N 400.695 5.964 0 1 HKAF CC1(C)[C@H]2CC[C@@H](C2)[C@H]1CCC(CC[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCCNCCN 299846495 AGUOAJQIHZPFDT-QDXIBXLOSA-N 417.726 5.198 0 1 HKAF COc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1C(=O)Nc1ccc(C)cc1 299870898 XCGBQEAUHWRGTC-UHFFFAOYSA-N 420.896 6.066 0 1 HKAF CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(NC3CCCC3)cc2Cl)ccc1O 473113578 JKVAYBFEPNTKDF-UHFFFAOYSA-N 421.368 6.603 0 1 HKAF COc1cc(/C=C\c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)ccc1Br 586977611 RXOWIVAUHOKETG-HYXAFXHYSA-N 415.184 5.662 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(F)c(F)c(F)cc2[nH]1 586980665 CQMOYMZMNPBJMG-UHFFFAOYSA-N 406.205 5.509 0 1 HKAF Cc1ccc(C)c2[nH]c(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)nc12 587006882 CMMSGAQKARUUSK-UHFFFAOYSA-N 424.298 5.378 0 1 HKAF Cc1onc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)c1COc1ccccc1Cl 587063195 HQDGBYKIORGVSC-UHFFFAOYSA-N 423.778 5.657 0 1 HKAF CC(C)(C)c1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587071158 MAEFCZUNFOBUSS-NTEUORMPSA-N 416.952 7.263 0 1 HKAF FC(F)(F)CSc1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)ccn1 587092667 YMCDPIOLYGRNEM-UHFFFAOYSA-N 422.657 5.695 0 1 HKAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587109376 NVYOYYAZKDPDFR-UHFFFAOYSA-N 424.684 5.499 0 1 HKAF O=C(Nc1cccc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1)c1ccc(F)cc1 587163828 UTPLXMCPOUTMGL-UHFFFAOYSA-N 401.775 5.553 0 1 HKAF C[C@]1(c2cccc(Cl)c2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327181 FNYXAKLSRGJVCL-DENIHFKCSA-N 417.263 6.112 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3nc(Cl)ccc32)[C@@H]1c1ccc(F)cc1 587329316 LBOBQEXUDGQFPD-FYYLOGMGSA-N 409.844 5.170 0 1 HKAF Cc1cc(Cl)cc2c1OCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329403 LSGDHWZNRBMANC-ZJSXRUAMSA-N 424.855 5.530 0 1 HKAF C[C@@]1(c2c(F)cc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337388 VKPKNFQBAQPFCZ-SIKLNZKXSA-N 418.798 5.737 0 1 HKAF CC[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344142 FVNVFOMFCQFUGL-UKILVPOCSA-N 401.437 5.677 0 1 HKAF Cc1ccc([C@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587356856 RTHIMZPZBVVAAQ-AZGAKELHSA-N 414.432 5.735 0 1 HKAF COc1cccc(-c2c(C)c(-c3cccc(F)c3F)nc3c2oc2ccccc23)c1 587360680 RGEYVTBTVWYZHY-UHFFFAOYSA-N 401.412 6.910 0 1 HKAF COc1cccc(-c2cc(-c3nc4ccccc4s3)nc3c2oc2ccccc23)c1 587365173 BEIONMGRICFVDW-UHFFFAOYSA-N 408.482 6.933 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cccc(Br)c2C[C@H]1C 587457924 DKVCGSVVTUXFEY-XUSGNXJCSA-N 401.300 5.160 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccc(Cl)cc1Cl)(CC(C)C)CC2=O 587463483 XLOHVBXEFZOJTN-HSZRJFAPSA-N 421.364 6.644 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Oc1cccc(C(F)(F)F)c1)CC2=O 587464146 JORLKKOMYHJWSU-LRTDBIEQSA-N 408.416 5.555 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)c3ccccc3)cc1)CC2=O 587471410 RYAWSKABHHXRIA-SANMLTNESA-N 415.489 5.478 0 1 HKAF Cc1ccc([C@]2(Cc3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587505223 ZCDPMEYFYUYJCE-MHZLTWQESA-N 416.948 6.631 0 1 HKAF CCc1cccc2c([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cn(CC(=O)O)c12 587515029 IFBROBWPYGKPLH-AREMUKBSSA-N 417.505 5.048 0 1 HKAF C[C@]1(c2ccc(-c3ccc(C(=O)O)o3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587533557 RDAJWQSIDLZKMG-RUZDIDTESA-N 402.446 5.404 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccccc1F 587569572 RHSDZKVWITXTPC-QPPBQGQZSA-N 401.393 5.025 0 1 HKAF CC(C)c1nn(C(C)(C)C)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582066 NPEOJDNAGZRQGV-AUSIDOKSSA-N 406.482 5.170 0 1 HKAF CC[C@]1(c2ccc(OCC(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595476 OKJWASRRASWXJJ-JYFHCDHNSA-N 418.489 5.694 0 1 HKAF O=C(O)c1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccccc2)c[nH]1 587623794 PPARKHWKRPNZKC-UHFFFAOYSA-N 421.254 5.167 0 1 HKAF CCOC(=O)c1c(Cc2cc(F)c(Cl)nc2Cl)[nH]c2ccc(F)c(Cl)c12 587629191 FQVQVXYZKFUELU-UHFFFAOYSA-N 419.642 5.569 0 1 HKAF O=C(c1ccccc1C(F)(F)F)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587637451 JGKOMICGKNFFPA-UHFFFAOYSA-N 401.262 5.135 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3cccn3)c(Cl)c2)N1 587691944 FGNHGYLULYVEDZ-WLRWDXFRSA-N 420.713 5.051 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)N1 587696754 DZJFQKXMZMVZLG-HGFGCHCXSA-N 415.133 6.097 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2cccc(Cl)c2)N1 587704129 SLHSANJUDLQXHI-LDHDXPGBSA-N 423.757 5.095 0 1 HKAF Cc1ccc(Cl)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F 587719545 PWGSXYJWUMFSKL-XTZNXHDOSA-N 400.694 5.487 0 1 HKAF COc1ccc([C@]2(C(C)(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587724382 HNXRZLBGMVDPKJ-QKVFXAPYSA-N 424.329 5.560 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCN(Cc3ccccc3)C2)N1 587767995 SKXUANLJAKUQJH-ZHRRBRCNSA-N 417.366 5.004 0 1 HKAF CCOc1cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)ccc1C 587777823 FLYCUIIFFCCRLE-UHFFFAOYSA-N 415.209 5.598 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccccc3)cc2)N1 587807948 FTMBGBKJKFBSCW-PEBXRYMYSA-N 412.302 6.004 0 1 HKAF CC(C)c1cccc2c1OCCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587835889 RFOVLMXNXNLTFY-FPTDNZKUSA-N 418.350 5.662 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2sccc2Br)N1 587842851 GQICAXTZQZQLKC-AYVTZFPOSA-N 419.157 5.210 0 1 HKAF Cc1ccc(-c2cc(C(F)F)nc(-n3nc4cc3Oc3ccc(F)cc3-4)n2)cc1C 587874144 QUJVACAIXBTHLX-UHFFFAOYSA-N 408.383 5.796 0 1 HKAF COc1ccc(-c2ccc(-c3nc4c(OC(F)(F)F)cccc4[nH]3)cc2)cc1OC 587929557 WSVFPYNNMPFQJQ-UHFFFAOYSA-N 414.383 5.813 0 1 HKAF CC(C)Oc1ccc(OC(C)C)n1-c1c(Br)cccc1-c1cnn(C)c1 587934549 HUVQRZDJSNTDBS-UHFFFAOYSA-N 418.335 5.215 0 1 HKAF Cc1cc([C@]2(c3ccccc3F)c3ccsc3CCN2Cc2cccn2C)ccn1 962397616 JVACFZDBWULPQH-VWLOTQADSA-N 417.553 5.279 0 1 HKAF Fc1ccc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c(OC(F)(F)F)c1 962697873 IGLAJTMAGQHSCP-ORAYPTAESA-N 415.427 5.316 0 1 HKAF Cc1cccc(CC[C@]2(c3c(C)cccc3C)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962895283 IDLGEAJUMOBJDQ-IGKIAQTJSA-N 417.524 5.226 0 1 HKAF Cc1ccc([C@]2(c3cccc(CN4CCC4)c3)NCCc3c2sc(C)c3C)cc1 963014251 UPDIHFZOZSLYEE-AREMUKBSSA-N 402.607 5.317 0 1 HKAF Cc1ccnc2c1CCN[C@@]2(CC(C)(C)C(=O)O)c1ccc(Oc2ccccc2)cc1 963091389 VKBIEBMJDHPFRP-SANMLTNESA-N 416.521 5.073 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1ccc(Sc2ccccc2Cl)nc1 963110291 QMXQBWNHXAOGLW-JPYJTQIMSA-N 410.945 6.135 0 1 HKAF CCCc1ccc([C@]2(c3ccc(C)nc3)N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1 963610402 PGPOPMJEBJPEIN-UZTOHYMASA-N 416.565 5.186 0 1 HKAF Cc1cc(-c2cc(OC(F)(F)F)ccc2Cl)cc(C)c1OCCCC(=O)O 1772577519 KRJOUGOTSWPYDG-UHFFFAOYSA-N 402.796 5.766 0 1 HKAF CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCC(=O)O)[C@@H]3[C@@H](O)C[C@@H]2C1 1772607515 QGNZYQUGRWATEY-ZQMFMVRBSA-N 406.607 5.132 0 1 HKAF C[C@H]1C[C@@H]1C(=O)Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)[nH]nc3c2)c1 1772653282 RCMDUVONVDJPAY-FYNQTRFASA-N 409.489 6.120 0 1 HKAF Cc1noc(C)c1Cn1c(=O)nc(-c2ccccc2)c2c3c(sc21)CCCCC3 1857568034 FAIGPYQZEGNWQR-UHFFFAOYSA-N 405.523 5.047 0 1 HKAF CC(=O)N[C@@H](C)/C=C/c1ccc(Oc2ccc3nc(C(C)C)sc3c2Cl)nc1 1857643038 TWXUAALRVMWIGZ-GFUIURDCSA-N 415.946 5.798 0 1 HKAF Oc1ccccc1-c1cc2c(O[C@@H](c3ccccc3)C(F)(F)F)ncnc2s1 1857749856 QHECFFLAUIBONV-KRWDZBQOSA-N 402.397 5.746 0 1 HKAF C[C@H]1CO[C@H]2C[C@](C)([C@@H]3CC[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]43C)O[C@H]12 2356433002 RTMWIZOXNKJHRE-QPADZTFRSA-N 416.646 5.589 0 1 HKAF CC(=CCCC1=CC[C@H]([C@@H]2COC(=O)C2)OC1=O)CCC1=C(C)CCCC1(C)C 2356518494 RRCWZZNUUYHHOI-RBBKRZOGSA-N 400.559 5.825 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2[C@H](OC(=O)C=C(C)C)c3occ(C)c3C[C@]2(C)[C@@H]1C 2356528528 YFTBXGVKABIJQN-MBMZIVIVSA-N 414.542 5.625 0 1 HKAF CCCC(=CCl)CCCC(=O)N[C@H](C)C[C@@H](C)C(=O)[C@@H](C)CCC=CCl 2356674621 OEEXJHFQVSGEBK-RCCFBDPRSA-N 404.422 6.348 0 1 HKAF Fc1cccc(Cc2c(-c3ccc(Cl)cc3)nc3ccc(Br)cn23)c1 72121512 CRGCFVHUHDUOPO-UHFFFAOYSA-N 415.693 6.147 0 3 HKAF O=C(Nc1cccc(F)c1)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1[C@H]2Cc1ccccc1 203468069 YJURZYZSTPNVCL-FRPFDOCJSA-N 408.517 5.248 0 3 HKAF Nc1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(CN2CCCCC2)cc1)c1ccccc1 590738 BYYCCVAQHGCRMB-QPLCGJKRSA-N 424.548 5.187 0 1 HKAF COc1ccc(-c2cc(Oc3cc(F)ccc3F)nnc2-c2ccc(OC)cc2)cc1 1551967 FUTSWKWNRJOAAL-UHFFFAOYSA-N 420.415 5.898 0 1 HKAF COc1ccc([C@@H](Cc2ccncc2)c2ccc(Cl)cc2)cc1OC1CCCC1 13442053 PUMZWWFKADZJCP-QHCPKHFHSA-N 407.941 6.440 0 1 HKAF CCCCC[C@@H](C)C/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](C)C(=O)NCCF 13766106 MHVQQJCJBNFDST-PUXSGRGKSA-N 405.642 7.490 0 1 HKAF CCc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(O)cc2n1 26727358 BIMKWTXBXDRUEQ-UHFFFAOYSA-N 420.509 5.151 0 1 HKAF COc1ccc([C@@H]2[C@@H](CCCc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 28101709 VDSKKNXYQSTSHV-DNQXCXABSA-N 407.460 5.700 0 1 HKAF CCCCc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1Cc1ccccc1 28641016 RPBQLDVNRQCNTA-UHFFFAOYSA-N 400.349 6.137 0 1 HKAF CC(=O)Oc1c(Cl)cc(Cl)c(Cl)c1C(=O)Nc1ccc(C(C)(C)C)cc1 28863418 VPANBPISJVXPSW-UHFFFAOYSA-N 414.716 6.122 0 1 HKAF COc1cc(C(=O)O)ccc1Cn1ccc2ccc(NC(=O)Nc3ccccc3)cc21 29470859 VXCNXSBEAKRGOA-UHFFFAOYSA-N 415.449 5.040 0 1 HKAF COc1cc(O)c(-c2ccc(OC)c3c(O)cc(C)cc23)c2c1[C@@H](C)N(C)[C@H](C)C2 34105060 TYMIXIDLUMXISB-HUUCEWRRSA-N 407.510 5.181 0 1 HKAF biogenic Clc1cccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)c1Cl 40955070 RRPJLWQQYZVFBZ-HXUWFJFHSA-N 414.336 5.706 0 1 HKAF O=C(COc1ccc2c(=O)cc(-c3ccccc3)oc2c1)Nc1ccc2ccccc2c1 40976236 ZOEOCKBLUUSRMN-UHFFFAOYSA-N 421.452 5.631 0 1 HKAF CCC[C@H](Nc1cncc(-c2ccc(NC(=O)NCC)c(CC)c2)n1)c1cccnc1 43123144 WEJXXWDJCVXADG-FQEVSTJZSA-N 418.545 5.196 0 1 HKAF Cc1cc2c(NC(=O)NC3CCN(CCc4cccc(Cl)c4)CC3)cccc2cn1 45302296 WCVDOPHOINQRJH-UHFFFAOYSA-N 422.960 5.025 0 1 HKAF CC/C(=C(/c1ccccc1)c1ccc(OC)c(O)c1)c1cc(OC)c(OC)c(OC)c1 45364742 BFGQIESXNRVOAN-LKUDQCMESA-N 420.505 5.796 0 1 HKAF CC(C)=CCC/C=C(\C)Cc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12 64510767 BFMICQYQDIWOPC-VIZOYTHASA-N 422.477 5.518 0 1 HKAF Cc1ccccc1-n1ncc(-c2ccc3nccnc3c2)c1Nc1ccccc1C(=O)O 64540145 NWINZOCTHZKZML-UHFFFAOYSA-N 421.460 5.233 0 1 HKAF Cc1nc(-c2nc3ccccc3n2Cc2ccccc2)sc1C(=O)Nc1ccccc1 66079847 JVSLEIAMUMHURY-UHFFFAOYSA-N 424.529 5.769 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(=C\C[C@H]1OC(=O)C=C1CO)CO 71294965 ZPTKQNSPWUWKEN-QAXNIAIFSA-N 402.575 5.339 0 1 HKAF Clc1cccc(N2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)c1 95572055 KBBKNJGHCAIRMK-UHFFFAOYSA-N 400.913 5.277 0 1 HKAF O=C1C[C@]2(CCCN(Cc3c[nH]c4ccccc34)C2)CCN1c1nccc2ccccc12 96173200 ACNWTJLIAHFHEQ-MHZLTWQESA-N 424.548 5.125 0 1 HKAF O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@H](c1cccc(-c2ccccc2Cl)c1)O3 96269870 FFQHIACKGXHTFF-WAIKUNEKSA-N 422.864 5.470 0 1 HKAF NC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3CCc2ccccc2)c2ccccc2)cc1 100819074 QHJZNRSKPHVMHF-SVBPBHIXSA-N 422.572 5.457 0 1 HKAF O[C@H](COc1cccc2[nH]ccc12)CN1[C@@H]2C=C(c3ccc4ccccc4c3)C[C@@H]1CC2 101017403 ZECABFDWVHQCGW-SDHOMARFSA-N 424.544 5.381 0 1 HKAF FC(F)(F)Oc1ccc(Cl)c(CN[C@H]2CC[C@H]3CC[C@@]2(c2ccccc2)N3)c1 101037435 QJLPTGTXRGEKCS-VDGAXYAQSA-N 410.867 5.138 0 1 HKAF Oc1ccc(OCc2ccc3ccccc3n2)cc1[C@]1(c2ccccc2)C[C@@H]2CC[C@@H]1C2 101162404 ZKLNDDMIESNWFZ-XCSROIPSSA-N 421.540 6.626 0 1 HKAF CCn1nc(-c2cccnc2)cc1-c1ccc2c(c1)OC[C@@H](c1c(F)cccc1F)N2 103256072 FTJJUDXEIXIMDD-NRFANRHFSA-N 418.447 5.456 0 1 HKAF Cc1ccc(NC(=O)n2nc(-c3ccc(C)cc3)n(-c3ccc(Cl)cc3)c2=O)cc1 103262308 QKKOCCWVDHJYBB-UHFFFAOYSA-N 418.884 5.051 0 1 HKAF CCCCCCOc1cc(C(C)(C)C)ccc1[C@@H]1COC(c2c(F)cccc2F)=N1 103287967 RVMNFCIXYOVPQQ-NRFANRHFSA-N 415.524 6.740 0 1 HKAF OC1=C2C(=Nc3nc(-c4ccccc4)nn3[C@@H]2c2cccc(Br)c2)CCC1 103665715 YDCUYIFOGSUTNN-LJQANCHMSA-N 421.298 5.379 0 1 HKAF CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(O)=C2[C@H]1c1ccco1 104048829 FZYZAUVLVXQPJH-AFMDSPMNSA-N 412.489 6.158 0 1 HKAF COc1ccc2ccc(CNc3ccc(-c4c(-c5ccncc5)cnn4C)cc3)nc2c1 169326626 ARKYGEBBVHLKAC-UHFFFAOYSA-N 421.504 5.318 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@@H]1c1ccc(-c2ccccc2F)cc1 169728372 OWFXWHQLNGDRFV-RPWUZVMVSA-N 419.496 5.483 0 1 HKAF Cc1nc2ccccc2n1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 200633230 XTBMGQICBMRHTA-UHFFFAOYSA-N 409.577 6.204 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@@]21C 255237350 MTLNAKDBXBYDNX-FAZOKDDSSA-N 412.702 7.779 0 1 HKAF CCC(C)(C)c1ccc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)cc1 586881786 OVMFWTWRJHIUDE-UHFFFAOYSA-N 400.366 6.955 0 1 HKAF CCc1ccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1Br 586978277 ZBQOLJNKNOVMKY-UHFFFAOYSA-N 405.295 5.786 0 1 HKAF Cc1ccc2c3c(cc(-c4c(F)cccc4-n4ccnc4)nc13)-c1ccccc1C2=O 586994678 BUTSVOVWIFPHOV-UHFFFAOYSA-N 405.432 5.746 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 587005780 SEOWZQQZVHYRFW-UHFFFAOYSA-N 412.674 5.272 0 1 HKAF COc1cccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 587017390 LGGSOIBYSICGGE-UHFFFAOYSA-N 406.330 5.110 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc4ccccc4cc3[nH]2)C[C@H]2CCCC[C@@H]21 587028462 YHMFCCGPXJECAS-OIBXWCBGSA-N 415.562 5.853 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1 587048657 DEJWGOUVCBIPMZ-UHFFFAOYSA-N 400.787 6.382 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC[C@](CO)(c1ccccc1)C4)-c1ccccc1C2=O 587100536 CHHXWRPCEBUHQD-NDEPHWFRSA-N 405.497 5.174 0 1 HKAF COC(=O)c1cc2nc(/C=C\c3ccc(F)cc3F)[nH]c2c(F)c1Nc1ccccc1 587148694 KCMUGSLZRALLFI-NTMALXAHSA-N 423.394 5.681 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(Cl)c1 587159615 QXDINFOKJOYFPW-LJQANCHMSA-N 424.756 6.080 0 1 HKAF CC(C)(C)OC(=O)N(Cc1nc2ccc(Oc3ccccc3)cc2[nH]1)C[C@H]1CCCO1 587197158 KIJHLTBHVIOMPE-LJQANCHMSA-N 423.513 5.271 0 1 HKAF CC(C)=Cc1nc2cccc3c2c(c1[C@H](C)c1ccc(C)cc1)-c1ccccc1C3=O 587205878 GXYAKESXZNJBJJ-LJQANCHMSA-N 403.525 7.330 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587232776 ATPHJMRMOZQTHK-GXSJLCMTSA-N 419.831 5.276 0 1 HKAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)c(O)c1 587240860 PXTRSJDGOHAUIC-UHFFFAOYSA-N 414.509 5.118 0 1 HKAF C[C@]1(COc2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337024 UOKUKMWGVMYFNF-JTHBVZDNSA-N 414.379 5.006 0 1 HKAF C[C@]1(c2cc3cccc(F)c3o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340709 YVZKSEDSBYAAFS-XUZZJYLKSA-N 406.384 5.691 0 1 HKAF COc1ccc2c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c[nH]c2c1 587347286 OVOIPJLQBDUGBC-NOZRDPDXSA-N 417.436 5.296 0 1 HKAF CCOc1ccc([C@@]2(CC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587347552 FEUXUVYDEINCKW-UKILVPOCSA-N 406.453 5.594 0 1 HKAF Cc1cc2c([nH]1)CC(C)(C)C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348354 RHASFFIADRZCDY-WIOPSUGQSA-N 405.469 5.395 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 587355888 XGJADAVXYHJPHV-YLORPAJWSA-N 402.465 5.987 0 1 HKAF COc1cccc(-c2cc(-c3ccc(OCC(C)C)cc3)nc3c2oc2ccccc23)c1 587364131 XOBQQDXNLCYFMQ-UHFFFAOYSA-N 423.512 7.358 0 1 HKAF CCCC[C@@H](O)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CCC 587365749 JMDLGNTYEYYNDT-OAQYLSRUSA-N 403.522 6.833 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(C1(Br)CCCC1)O2 587375489 DBESSSPFMCZASC-NRFANRHFSA-N 400.316 5.146 0 1 HKAF CCC[C@@]1(c2ccc(Cl)c(Br)c2)CC(=O)c2cc(C)cc(N)c2O1 587378267 TXIVPPPFFDIENV-IBGZPJMESA-N 408.723 5.654 0 1 HKAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cccc(F)c1 587384373 KXTNWSWCZCRESQ-QFIPXVFZSA-N 407.441 5.010 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(c3ccccc3)Oc3c1ccc1ccccc31)O2 587409073 PIYKREOYKXDMEZ-MUUNZHRXSA-N 419.480 6.025 0 1 HKAF C[C@H](C(=O)O)c1ccc(C[C@@H]2CCC[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 587531356 ZGBSXYCBMKTSSO-SJQPRBQBSA-N 418.533 5.500 0 1 HKAF O=C(O)c1ccccc1[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587531554 LUJXUKTXLCVSED-XMMPIXPASA-N 404.487 5.234 0 1 HKAF CC(C)(C)c1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc(C(C)(C)C)c1O 587532295 KVOZVHLVUABBNZ-NDEPHWFRSA-N 420.593 6.747 0 1 HKAF C[C@]1(c2c[nH]c3cc(Cl)ccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554287 WWNTUYRZIMLGPK-NZQKXSOJSA-N 405.837 5.404 0 1 HKAF C[C@]1(C2CCC(C(F)(F)F)CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557224 QTTSPYHOKPQMLL-OZYHLEJASA-N 406.400 5.481 0 1 HKAF O=Cc1cc2sc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2s1 587618420 OPBSKYBJLDYNOR-NQIIRXRSSA-N 408.456 5.184 0 1 HKAF O=C(O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccc(Cl)cc1 587625285 FKCYGIDDYRGRHA-UHFFFAOYSA-N 407.697 6.224 0 1 HKAF Cc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587708742 DFLQSFFGXUXKSW-KPZWWZAWSA-N 416.256 5.545 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(F)(F)F)(c2ccc(F)cc2)N1 587708838 FFRPXBPGRMNXOK-BMLIUANNSA-N 420.219 5.458 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(C(F)(F)F)c2F)N1 587710961 IDWHBRDCPLDAOK-VGDKGRGNSA-N 424.182 5.509 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2Br)N1 587721752 QLBMDXJJWHARPT-VPTHRUTESA-N 417.091 5.113 0 1 HKAF COc1cccc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587758333 WPWVZCCUYDAJQM-ZSEKCTLFSA-N 415.306 5.011 0 1 HKAF CC(C)CCOc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587794663 PIQIYXALLKUZTA-NYHFZMIOSA-N 420.366 5.811 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc2c1OC(C)(C)C2 587836275 ZNTXUCWALPZPHM-CWTRNNRKSA-N 404.323 5.234 0 1 HKAF CCCCCCc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587844443 AFMRVPQHPXKLLP-RNODOKPDSA-N 410.396 6.396 0 1 HKAF Cc1sc2ccccc2c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587851564 CIAKORJUVVOHDA-PRWKNARSSA-N 404.348 5.909 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1ccccc1 587864199 GQXQIVQINAHQCV-AWEZNQCLSA-N 404.388 5.075 0 1 HKAF Cc1nc(-n2nc3cc2Oc2ccc(F)cc2-3)c2cc(-c3ccccc3)sc2n1 587877024 XUCHLXLRJBDLEX-UHFFFAOYSA-N 400.438 5.764 0 1 HKAF COc1ccc(-c2cccc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c2C)c(OC)c1 587930311 SYAZFJAYIROSCL-UHFFFAOYSA-N 414.292 5.924 0 1 HKAF CCc1ccc(C(=O)CCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 587956033 RMNKVKFFOGZCDU-UHFFFAOYSA-N 414.349 5.978 0 1 HKAF CCOC(=O)CCCCCC[C@@]1(c2ccc(C)cc2)NCCc2ccc(F)c(C)c21 962299381 NJSAOPXAJAXYGB-SANMLTNESA-N 411.561 5.736 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@]1(CCc1ccc(O)cc1)C(F)(F)F 962368456 ASXPIOLDFBPXJD-OAQYLSRUSA-N 420.500 5.241 0 1 HKAF c1ccc(-c2ccc([C@@H]3c4ccccc4C[C@@H]4CN(c5ccccc5)CCN34)cn2)cc1 962634055 MAHUTAVXPFEBQY-GGXMVOPNSA-N 417.556 5.585 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(F)cc2)(c2ccc(Cl)nc2)N1 962947551 BXGUPCIVSZWYJC-UUOWRZLLSA-N 405.904 5.572 0 1 HKAF O=C(C[C@@]1(c2ccc(Cl)s2)c2ccc(F)cc2C[C@@H]2CCCN21)C(F)(F)F 963106553 KDIQRYVGZCDTML-UGSOOPFHSA-N 417.855 5.326 0 1 HKAF COc1ccc2c(c1)[C@H](c1ccc(-c3ncon3)cc1)N(Cc1ccc(F)cc1)CC2 963302508 OBAHRLBYBIWXIF-DEOSSOPVSA-N 415.468 5.032 0 1 HKAF CCCCOc1ccc2ccccc2c1[C@@H]1N[C@H](C)Cc2c(OC)ccc(OC)c21 963614880 ZNLSCKXXCSLQBR-QUGAMOGWSA-N 405.538 5.660 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ccc(F)cc1)c1cc(Cl)cs1 963643325 ZRZBHSYFEXFWSH-WHEQGISXSA-N 417.933 5.384 0 1 HKAF C[C@]1(C(=O)Nc2ccc(Cl)cc2)CCCN(C(=O)c2cccc(-c3ccco3)c2)C1 1772605521 LCGBUJHSFFZWBH-DEOSSOPVSA-N 422.912 5.481 0 1 HKAF CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)OC[C@@H](O)CO 2356284939 HDIQCISTZKHUDO-DEOSSOPVSA-N 404.591 5.585 0 1 HKAF CCCCC=CCCCCCCCCCCCc1cc(=O)c2c(o1)CCC[C@H]2O 2356396650 RBDBYUSQLNFUGJ-HSZRJFAPSA-N 402.619 7.199 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3 2356472386 VSGFTONSNLGNKU-XFVKPCPDSA-N 412.702 7.801 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CCC2=C3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356677755 XMCGXKSKUMSGOT-SYISWHSXSA-N 400.647 6.280 0 1 HKAF CC(C)[C@@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)O3 2356776260 RWSNQTGGDGPKOZ-UZDXPJFNSA-N 412.658 6.542 0 1 HKAF C[C@H](C=C[C@H](O)C(C)(C)O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356801891 RTPRSWIVZNTVHX-JZPKZORASA-N 416.646 5.250 0 1 HKAF CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O 3933382 NCTDWZFQXDIUEY-SANMLTNESA-N 417.549 5.116 0 1 HKAF Fc1ccc(CN2CCC(CCO[C@H](c3ccccc3)c3cccs3)CC2)cc1 13760767 JJWWNMORPVFEBM-RUZDIDTESA-N 409.570 6.296 0 1 HKAF COc1ccc2c(c1CC=C(C)C)O[C@@H]1c3cc4c(cc3OC[C@@]21O)OC(C)(C)C=C4 15203523 KSXMILLEKYOTIP-AOYPEHQESA-N 420.505 5.102 0 1 HKAF biogenic Cc1cc(-c2c(F)cc3c(=O)c(Cc4ccncc4)cn(C4CC4)c3c2F)cc(C)n1 25972630 XGRBIGDWUKUGIQ-UHFFFAOYSA-N 417.459 5.279 0 1 HKAF c1ccc2c(c1)c1cc[n+]2CCCCC[n+]2ccc(c3ccccc32)NCCCCN1 28382673 GCCRVTGOPAILGE-UHFFFAOYSA-P 412.581 5.056 0 1 HKAF FC(F)(F)Oc1ccc(Cl)c(CN[C@H]2CC[C@@H]3CC[C@@]2(c2ccccc2)N3)c1 28568518 QJLPTGTXRGEKCS-UXPWSPDFSA-N 410.867 5.138 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3)C(C)C 34951114 YCBMXIIYHMNHDU-AXMPPXCASA-N 414.718 8.169 0 1 HKAF CC(C)c1nnc2ccc(Sc3ccc(Br)cc3C(F)(F)F)cn12 35848696 ZYNXVYRSIZBGRL-UHFFFAOYSA-N 416.266 5.785 0 1 HKAF O=C(O)CC/C=C\C[C@H]1CO[C@H](c2ccc(Cl)c(Cl)c2)O[C@H]1c1cccnc1 36242277 IXVZMIJUOSLLMR-PDTOKXBJSA-N 422.308 5.602 0 1 HKAF CC(C)C[C@H]1CCSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1 38216333 QPAJVXSGDOMVHC-LJQANCHMSA-N 424.639 6.270 0 1 HKAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2c2onc(C)c2-c2ccc(Cl)cc2)N3C)cc1 40892256 YMCSFRMHHAIMBT-SVPADUAOSA-N 406.957 6.346 0 1 HKAF CCCCn1c2ccccc2c2cc(CO)nc(-c3cc(OC)c(OC)c(OC)c3)c21 42889770 QCWPNQORYWJABI-UHFFFAOYSA-N 420.509 5.175 0 1 HKAF COC[C@H]1CCCN1Cc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1 45167959 CPVQDBFQIUJOKF-LJQANCHMSA-N 403.551 5.569 0 1 HKAF O=C(CCc1ccc(F)cc1)c1ccccc1OC[C@H](O)Cn1ccc2ccccc21 73159626 CBVRHLQJYHPHHW-JOCHJYFZSA-N 417.480 5.036 0 1 HKAF Cc1ccc(CCNc2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccco3)n2)cc1 82142159 DJYSCRDTEYFKHL-RXVVDRJESA-N 418.541 5.008 0 1 HKAF CCCOCCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccco2)n1 82165253 UMUUCENYWYQESB-UHFFFAOYSA-N 418.497 5.596 0 1 HKAF Cc1ccc(-c2cc(-c3c(-c4ccc(F)cc4)nc4c(C)cccn34)nc(N)n2)cc1 95591899 FJZXGLGZLAWSPP-UHFFFAOYSA-N 409.468 5.463 0 1 HKAF c1cc(-c2ccc(OCCCN3CCCCC3)cc2)ccc1CCCN1CCCCC1 96921547 GXZFJFVWFZQOSX-UHFFFAOYSA-N 420.641 6.027 0 1 HKAF CO[C@@H]1C(O)=Cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2[C@H]1CC=C(C)C 100003280 NMUIQJQZSIHEJJ-MYYSRTQBSA-N 412.482 5.080 0 1 HKAF biogenic,in-vitro COc1c(Cl)ccc2c1[C@H]1c3cccc[n+]3[C@H]2CC1(c1ccoc1)c1ccoc1 100722224 YAABMDXUEYQMOT-RBBKRZOGSA-N 404.873 5.247 0 1 HKAF Cc1ccc(-c2cccc(C3=Nc4cc(C)c(C(F)(F)F)cc4NC(=O)C3)c2)cn1 101383289 AYLJVNQNTREPFM-UHFFFAOYSA-N 409.411 5.847 0 1 HKAF O=C1O/C(=C/c2ccc(C(F)(F)F)cc2)C=C1Cc1ccc(Br)cc1 103175028 DTFBPDAYPGXYTR-LICLKQGHSA-N 409.201 5.535 0 1 HKAF Cc1cc(-c2ccc(F)cc2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C 103203458 XEHVIEFQLZHXIK-UHFFFAOYSA-N 401.869 6.118 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 118919827 UYOSSIFSBNNKRC-RNWUKHQXSA-N 420.678 5.410 0 1 HKAF O=C(O)c1cccc2[nH]c(-c3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc12 144711347 MMITXPBGSSAHHA-UHFFFAOYSA-N 420.468 6.174 0 1 HKAF Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nc(-c3ccccc3)cs2)cc1 169341903 PWVUHEVCEOPXAE-UHFFFAOYSA-N 413.502 5.623 0 1 HKAF C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(C[C@@H]3CCCCO3)C[C@H]21 169373631 RWRVBLQXKOJFGU-RRIFGTCXSA-N 406.492 5.354 0 1 HKAF COC(=O)c1ccc(O)c(C/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1 206722193 UEDRNSGNDIOZJT-RQVJPMQBSA-N 424.625 7.867 0 1 HKAF CN1CCC(c2cc3c(-c4cccc(NCCc5ccccc5)n4)ccnc3[nH]2)CC1 226066102 MXYFERHGZLMTPI-UHFFFAOYSA-N 411.553 5.089 0 1 HKAF C/C=C(/C)C(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@H](CC[C@H](C)CC(=O)O)[C@@](C)(O)CC[C@H]12 238740910 FRGMVGYYKMAOOX-QURRRCMASA-N 422.606 5.361 0 1 HKAF COc1cc(O)c2c(c1[C@@H]1C=C(C)CC[C@H]1C(C)C)O[C@H](c1ccccc1)CC2=O 238765605 AHSGBCHOIWPPDO-JQVVWYNYSA-N 406.522 6.203 0 1 HKAF Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)sc2n1 247817205 DTFGLOUEXMCGCY-IIDMSEBBSA-N 414.619 5.099 0 1 HKAF C[C@@H](NC(=O)c1ccccc1)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253852864 NOVUBZJSKIJHDS-JMXXIWBZSA-N 421.625 5.745 0 1 HKAF CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1-c1ccccc1 299868167 RBIKIJOSSCAUHP-AYRHNUGRSA-N 412.577 5.864 0 1 HKAF COC(=O)C[C@H](CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1 473145205 OYLFOVYZOXILKE-SFHVURJKSA-N 423.896 5.808 0 1 HKAF CC[C@H](/C=C/[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C)C(C)C 525915180 HCXVJBMSMIARIN-VKYKXZSBSA-N 412.702 7.801 0 1 HKAF biogenic CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(C)ccc(C)c4[nH]3)c(=O)oc2c1C 586918793 VAHUFDJDGXTLPR-UHFFFAOYSA-N 416.521 5.839 0 1 HKAF Cc1c(-c2ccccc2C(F)(F)F)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586993414 NCXDIXMTVFEOCK-UHFFFAOYSA-N 403.403 6.749 0 1 HKAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc3ccccc3cc2[nH]1 587001508 RWRKRKRPOMLMCE-KRWDZBQOSA-N 405.299 5.202 0 1 HKAF CCCn1cnc2cc(-c3nc4cc(F)c(F)c(F)c4[nH]3)cc(Br)c21 587002548 BGJQATKPWHFGCM-UHFFFAOYSA-N 409.209 5.169 0 1 HKAF c1ccc2sc(-c3ccc4[nH]c(-c5ccc(-c6nccs6)s5)nc4c3)nc2c1 587023845 KDSIOIXHBJCBBH-UHFFFAOYSA-N 416.556 6.692 0 1 HKAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc(Br)c(F)c3[nH]2)c1 587049451 ADFMOXQSKJUHEB-UHFFFAOYSA-N 410.674 5.379 0 1 HKAF Cc1onc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)c1COc1ccc(Cl)cc1 587074930 AZVLOGLNEYLBHA-UHFFFAOYSA-N 408.767 5.173 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587075971 PGOFLYDIBGORBW-UHFFFAOYSA-N 411.214 6.050 0 1 HKAF COc1c(C)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C 587348580 HBIDNSQYQBFSHM-DHLKQENFSA-N 406.453 5.431 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cn1c(Cl)nc3ccccc31)(c1ccccc1)O2 587380243 ROBBGOLHABWKEW-DEOSSOPVSA-N 417.896 5.141 0 1 HKAF CC[C@@]1(c2ccc(OCc3ccccc3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444039 RFGQAPZHUFKNON-GJZUVCINSA-N 400.474 5.327 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc4ccc(Br)cc4s1)[C@@H](C2)C3=O 587451981 MAAGANGZRRPGHT-ORAYPTAESA-N 401.281 5.161 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc21 587470441 NGEFZXBHRYXTHI-UQBPGWFLSA-N 423.509 5.175 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCN(C)C)(c1cccc3ccccc13)CC2=O 587471006 XSWAHJUBCKYNCK-AREMUKBSSA-N 403.522 5.310 0 1 HKAF O=C1C[C@H](c2ccc(-c3ccc(Cl)c(F)c3)cc2)Oc2c1ccc1c2CCCC1 587506074 OPPJFZPQXHGWBR-XMMPIXPASA-N 406.884 6.731 0 1 HKAF COc1cccc(Oc2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587521867 CYGQLXSRQMDSFS-RUZDIDTESA-N 400.474 6.073 0 1 HKAF C[C@H](C(=O)O)c1ccc(C[C@H]2CCC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 587531358 ZGBSXYCBMKTSSO-XADOIVSYSA-N 418.533 5.500 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)cc1Cl 587550654 VUOJDYRQCYOJGQ-FXAWDEMLSA-N 420.770 5.767 0 1 HKAF Cc1ccc(-c2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1 587611339 IBXOWHGPKJPJKH-NFBKMPQASA-N 415.470 5.527 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccccc2)o1 587618547 UQHJSCNDISNUBA-DHLKQENFSA-N 414.413 5.267 0 1 HKAF COC(=O)C(=O)c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc(Cl)c(F)cc12 587629016 YBUSGESUXYMVJD-UHFFFAOYSA-N 400.620 5.290 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)cccc2Cl)N1 587691755 HUNLIZFVDUXYMR-XLFHBGCDSA-N 403.122 5.693 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(OCC3CC3)c2)N1 587719562 QDLCZMLCYWNVEX-BIBXISHDSA-N 408.286 5.140 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3cccc(F)c3)s2)N1 587731453 LYHISFRYJMEYPT-MGNBDDOMSA-N 421.310 5.474 0 1 HKAF Cc1onc(-c2ccccc2)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587799537 ZUVZSBUGPUQHPK-QKVFXAPYSA-N 415.306 5.349 0 1 HKAF Cc1ccc(-c2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)o1 587828461 NKGKSZDQMCCHLC-LAJNKCICSA-N 400.291 5.780 0 1 HKAF Cc1ccc(-c2csc([C@@H]3CN(C(=O)OCc4ccccc4)CCO3)n2)cc1C 587920375 IWDXYYVRQPDZHA-NRFANRHFSA-N 408.523 5.137 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c(O)c2)cc1OC 587928101 YIMRVWVDQPKEQY-UHFFFAOYSA-N 400.356 5.037 0 1 HKAF CC(C)CNC(=O)CN1c2ccccc2N=C2CCCC(O)=C2[C@@H]1c1cccs1 618016723 CZEZDDXJMOLHOL-QHCPKHFHSA-N 409.555 5.150 0 1 HKAF C[C@@]1(Cc2ccc(Cl)cc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962636692 OHMULDDCMCRGPT-AOYPEHQESA-N 402.969 5.545 0 1 HKAF Fc1cc(Cl)cc(CC[C@@]2(c3ccccc3F)NCCc3nc4ccccn4c32)c1 962983304 BOOAUOUANFNRAY-DEOSSOPVSA-N 423.894 5.288 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@]2(CCc1ccc(F)cc1)c1ccccc1F 963256460 CHPFGIFAFHBPPR-DEOSSOPVSA-N 413.895 5.649 0 1 HKAF NC(=S)c1cccc(-c2cn(C[C@@H](CCF)CC(F)F)c3cc(N)ccc23)c1 1857614562 KMFNYHNHDABHSX-ZDUSSCGKSA-N 405.489 5.156 0 1 HKAF O=C(Nc1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccccc2Cl)CC1 1857755960 WSXXWFWKCZIWBN-UHFFFAOYSA-N 411.855 5.145 0 1 HKAF CCCCCC[C@H](C)CCCCCCCCCC=CCCC=CCCCC(=O)O 2356312994 PJMHWGIIMXPLQM-SANMLTNESA-N 406.695 9.251 0 1 HKAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@H]2O[C@H](O)C(Cl)(Cl)Cl 2356331517 JVLHMVXGPLKLFV-ATNRFADISA-N 419.776 5.322 0 1 HKAF CN[C@H]1CC[C@]23C[C@@]24CC[C@]2(C)[C@@H]5[C@@H](C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C)OCN(C)[C@@H]5C 2356425182 IBBJBVLTEQHUQV-RFNPZVBNSA-N 414.678 5.300 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CCC2=C3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356486458 TXYKXUMXTVCWMN-INTLFBSSSA-N 402.663 6.504 0 1 HKAF CC=C(C)C(=O)OC[C@@H]1[C@H](O)CC[C@@H]2[C@@](C)(CCc3ccoc3)C(C)=CC[C@]21C 2356501514 CPPNOLWNGNZSPV-ZPSZDYIASA-N 400.559 5.471 0 1 HKAF CC(=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)[C@H](C)C(C)C 2356553066 MNBTWOPOWPOHGH-IIKYNJSUSA-N 410.686 7.721 0 1 HKAF CC[C@@H](C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356596528 KBCUEZZDVQYXRC-DGMNRHSNSA-N 414.718 8.025 0 1 HKAF CO[C@@H]1c2occc2[C@H](O)C[C@@H]2[C@]1(C)C[C@H]1[C@]2(C)CC[C@@H]2C(C)(C)CCC[C@]21C 2356615811 MRMQROGLXJNWRO-BNXCQAHFSA-N 400.603 6.679 0 1 HKAF COC(=O)CCC(=O)OC[C@@H]1CC[C@]2(C)C(C)=CCC[C@H]2[C@]1(C)CCc1ccoc1 2356617057 OYHUVLDVWBMUEA-ZNDGRNAPSA-N 416.558 5.488 0 1 HKAF CC(C)=CCc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc2c1OC(C)(C)CC2 2356708257 INSMSALGNVLSAY-OAQYLSRUSA-N 408.494 5.417 0 1 HKAF CCOCCCNC(=O)c1cc(Sc2ccccc2SC)nc2ccccc12 3008012 XZQZECDPMDHSEW-UHFFFAOYSA-N 412.580 5.264 0 1 HKAF CS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 3814619 ZZBKFGAUXXMYNA-UHFFFAOYSA-N 408.910 5.263 0 1 HKAF COc1ccc(C2=NO[C@]3(SCc4ccccc4C3=O)[C@@H]2c2ccc(C)cc2)cc1 6522692 RGWOYVCJPZGHCY-RDGATRHJSA-N 415.514 5.348 0 1 HKAF O=C(Nc1ccccc1)O[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 13744566 UPESQNYYLQPHME-UIOOFZCWSA-N 412.533 5.530 0 1 HKAF COc1ccc([C@H]2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)cc1 13863908 ITLDIACTCBIPIB-ILBGXUMGSA-N 420.516 5.543 0 1 HKAF Cc1cc(C)cc(-c2c(OC[C@@H]3CCCN(C)C3)c3c(Cl)cccc3[nH]c2=O)c1 26578807 OBRNDBSRMRHKIS-QGZVFWFLSA-N 410.945 5.186 0 1 HKAF CCN(CC)C(=O)Oc1ccc(C(CC)(CC)c2ccc(N(C)C(C)=O)c(C)c2)cc1 28950145 PCFQSVCDNJFUQM-UHFFFAOYSA-N 424.585 5.924 0 1 HKAF Clc1cc(Cl)cc(Nc2nc(NCCN3CCCC3)c3ccccc3n2)c1 29204107 XGBGWDDCQXLPRN-UHFFFAOYSA-N 402.329 5.188 0 1 HKAF COc1ccc(N(C)c2nc(NC/C=C(\C)CCC=C(C)C)nc3ccccc23)cc1 34262612 XXRMCSARVOIBLU-LVZFUZTISA-N 416.569 6.511 0 1 HKAF Clc1cc(Cl)cc(Nc2nc3ccccc3c3[nH]c(C4CCCCC4)nc23)c1 40405541 UKMVTFOLZQMUSL-UHFFFAOYSA-N 411.336 7.209 0 1 HKAF O=C(O)c1cc(Nc2ccc(CCc3ccc(Cl)c(Cl)c3)cc2)ccc1F 40934256 CYRCFDARCJXWEZ-UHFFFAOYSA-N 404.268 6.360 0 1 HKAF CCCC[C@H](Sc1ccc(OCCCOc2cccc(C)c2C)cc1)C(=O)O 43060453 SPSCEYHKPUTWNP-QFIPXVFZSA-N 402.556 5.887 0 1 HKAF CSC1=NC(C)(C)C[C@]2(C[C@@H](c3cccc(C)c3)c3cc(Cl)c(O)cc3O2)N1 45227025 UQTFFSLIGIXBRT-KSFYIVLOSA-N 416.974 5.456 0 1 HKAF CN(C)C12CCN(Cc3ccccc3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 45245661 DJKNYMFRKAULGK-QEYWNGHMSA-N 410.605 5.923 0 1 HKAF COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc2cccnc12 49052687 JPBNIWAIRSKBSQ-NFQMXDRXSA-N 414.549 5.951 0 1 HKAF CN[C@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1 66111740 FITJACCQHZFEJH-GOSISDBHSA-N 404.510 5.035 0 1 HKAF Cc1c(-c2ccc(Cc3ccc(C(F)(F)F)nc3)cc2F)[nH]c2ccccc2c1=O 84651942 AZSCEVKWLXZNIH-UHFFFAOYSA-N 412.386 5.647 0 1 HKAF O=C(Nc1cc(OC(F)(F)F)cc(-c2cccnc2)c1)N1CCc2ccc(F)cc21 95557582 RHIYEYUIUMSPGC-UHFFFAOYSA-N 417.362 5.381 0 1 HKAF CCN(CC)CCOc1ccc(Nc2nc(C)cc(-c3ccc(Cl)cc3)n2)cc1 95576358 ROOMXYJKZITXJP-UHFFFAOYSA-N 410.949 5.570 0 1 HKAF CCC[C@H](C(=O)O)c1c(CC)nc2sc3c(c2c1-c1ccc(C)cc1)CCCC3 113122842 UPPQMWOGFMHCHI-SFHVURJKSA-N 407.579 6.681 0 1 HKAF CC(C)CCC[C@@H](CO)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137552215 IHBYNELXVANGNE-PERCSONFSA-N 404.679 6.441 0 1 HKAF COc1cccc(C(=O)NC[C@H](CC2CC2)c2ccc(C(F)(F)F)nc2)c1Cl 207676183 OJWJMYQMBQPXET-AWEZNQCLSA-N 412.839 5.076 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(Br)ncc3[nH]2)c1 586878149 CVXCRWFMNIWATQ-UHFFFAOYSA-N 406.283 5.235 0 1 HKAF CCc1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)cc1CC 586878816 JYSOBWPPPPCYFV-UHFFFAOYSA-N 411.674 5.008 0 1 HKAF Cc1cccc(-c2ccccc2)c1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586879425 QSCIXYUSZYCGSZ-UHFFFAOYSA-N 417.537 7.482 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cccc(Br)c1C3 586986209 PHOXWNSYXVYAJK-UHFFFAOYSA-N 414.258 5.486 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cn(-c2ccccc2)nc1CC3 586988666 VDNWEKDOGHYKDV-UHFFFAOYSA-N 415.452 5.103 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(NC(=O)NC(C)C)cc4)nc13)-c1ccccc1C2=O 586994960 CBNYPQGNCUFTMB-UHFFFAOYSA-N 421.500 5.952 0 1 HKAF O=C(CCCc1nc2ccc(Sc3ccccc3)cc2[nH]1)c1ccc(Cl)cn1 587080410 CLXLVETZPWADNN-UHFFFAOYSA-N 407.926 5.968 0 1 HKAF C[C@@H](c1nc2cccc(I)c2[nH]1)c1ccccc1C(F)(F)F 587098241 OZXIIOXAIKHOAF-SECBINFHSA-N 416.184 5.338 0 1 HKAF CO[C@H]1C[C@@H](c2ccccc2)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587099932 YEQQNPPDOWFYHY-MBSDFSHPSA-N 405.497 6.172 0 1 HKAF COc1cc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc2cc1F 587113930 ORLNXTDIYHVUKM-UHFFFAOYSA-N 402.347 6.189 0 1 HKAF Fc1ccc(/C=C/c2nc3cc(Br)c(Br)cc3[nH]2)c(F)c1 587150990 WWKSGIWJVVJVMZ-DUXPYHPUSA-N 414.047 5.537 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(Cl)c1 587159143 NIATYOYGMAIVSW-HNNXBMFYSA-N 422.769 5.284 0 1 HKAF Nc1ccc2c(c1)CCCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336411 NJGUECVKXDGOEH-NOZRDPDXSA-N 403.453 5.094 0 1 HKAF COc1ccc2c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c[nH]c2c1 587347284 OVOIPJLQBDUGBC-ILBGXUMGSA-N 417.436 5.296 0 1 HKAF Cc1ccc2c(c1C)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355533 DRKWTKUFODYKKS-UKILVPOCSA-N 404.437 5.185 0 1 HKAF COc1ccc([C@@]2(c3ccccc3Cl)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587377088 GXKHQKHVCKSXON-XMMPIXPASA-N 407.897 5.457 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4ccc(C(F)(F)F)cc4)cc1)[C@@H](C2)C3=O 587420070 DPPSCJDCGZJBQL-RDPSFJRHSA-N 424.418 6.044 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(Br)c(F)c1)CC2=O 587465349 CFZQKRUPBLMMMV-HXUWFJFHSA-N 407.279 5.213 0 1 HKAF O=C1C[C@](Cc2ccc(F)cc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587509419 RPSKYYZGYNDRBC-AREMUKBSSA-N 404.456 5.947 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(Cl)c(Cl)c1 587557825 OSCPKAPNLFEEJI-OXQOHEQNSA-N 405.208 5.541 0 1 HKAF CCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(OC)ccc21 587579533 URCSPUARHXZKBE-RCZVLFRGSA-N 415.445 5.078 0 1 HKAF Cc1ccc(Oc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 587598490 BEBBWKVWPRJXKW-RPLLCQBOSA-N 424.452 6.196 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccccc2)ccc1O 587605915 BRTCDKJFACWKIB-BVAGGSTKSA-N 410.425 5.468 0 1 HKAF CCc1c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625703 MJBVEUKJEPODAC-SECBINFHSA-N 424.385 6.354 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3ccccc3Cl)c2)N1 587693060 CGRLIEPQWOPYNP-JEOXALJRSA-N 420.713 5.051 0 1 HKAF Cc1cc(Cl)cc2c1OCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587694582 HGLOBVYWKIOHKP-WLRWDXFRSA-N 410.714 5.110 0 1 HKAF Cc1cc(C(F)(F)F)ncc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587714277 OWJXPMFSTITEAD-QGHHPUGFSA-N 417.244 5.108 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2CCC(C(F)(F)F)CC2)N1 587718671 JLRAUACHDIEWLC-CFMHRETDSA-N 408.277 5.706 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2CCC(C(F)(F)F)CC2)N1 587718675 JLRAUACHDIEWLC-NRRCOEPMSA-N 408.277 5.706 0 1 HKAF Cc1cc(C)n(-c2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)n1 587762508 FQLPPSIDNGQDSZ-GTJPDFRWSA-N 414.322 5.014 0 1 HKAF CCCCOc1c(OC)cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587795341 RDSJQEAIZXKZPD-ZUOKHONESA-N 422.338 5.399 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(O)cc3)cc2)N1 587833760 PFMRLGBJAZWGHO-MCMMXHMISA-N 412.302 5.584 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccsc3)s2)N1 587852757 ILPGRTIYAOPSFW-XXFAHNHDSA-N 409.349 5.397 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc([C@H]3CN4CCC[C@H]4CO3)n2)cc1 587923063 LSTMLLNQCJHMOL-LAUBAEHRSA-N 419.525 5.633 0 1 HKAF Oc1cc(-c2ccccc2)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 587942410 YABSIEOXKQMBDV-UHFFFAOYSA-N 423.510 6.823 0 1 HKAF COc1ccc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2n1 587949309 REOVTSDVBZGMKM-GQIGUUNPSA-N 407.514 5.251 0 1 HKAF CCCCC(C)(C)c1cnnn1[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 653737536 XAARKHSMWQBKAR-SFHVURJKSA-N 406.361 5.539 0 1 HKAF Cc1nc(-c2ccc(Cl)s2)sc1COc1ccc2c(c1)OC[C@H]2CC(=O)O 653737644 NTXUVKTXUUKMSZ-LLVKDONJSA-N 421.927 5.363 0 1 HKAF C[S@@](=O)c1ccc([C@@H](CC2CCCC2)c2[nH]c3ncccc3c2C=O)cc1Cl 653780434 CHBZCDLDPNYPDM-JYRCXFKTSA-N 414.958 5.478 0 1 HKAF Clc1cccc(Cn2cc(COc3c(Cl)cc(Cl)cc3Cl)nn2)c1 653790498 RQYANSPDXVHBSM-UHFFFAOYSA-N 403.096 5.519 0 1 HKAF Cc1cccc(C)c1-c1cccc([C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962760194 DMCYEJBVPSGIQK-GGAORHGYSA-N 409.451 5.706 0 1 HKAF COc1cc(/C=C/c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)cc(OC)c1 1772612401 UIRCXUFGINAITA-LDKZCNOQSA-N 419.908 6.180 0 1 HKAF Clc1cc(Cl)cc(CN[C@H]2CCC[C@H](c3nc4ccc(Cl)cc4[nH]3)C2)c1 1772654824 XDIHQCSGYJWVKO-GUYCJALGSA-N 408.760 6.339 0 1 HKAF COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccccc1Cc1ccc(F)cc1 1857636643 IJGOZBLFBZMVDS-UHFFFAOYSA-N 414.860 5.053 0 1 HKAF Nc1sc2c(-c3cncc4ccccc34)cccc2c1Nc1ccc(F)c(Cl)c1 1857774013 MZNJZCAYRUCKKS-UHFFFAOYSA-N 419.912 7.235 0 1 HKAF CO[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]12 2356499549 GGNMCEMUZBBANL-IKQKNKDASA-N 416.690 7.302 0 1 HKAF CCCCCC=CCC=CCCCCCCCC(=O)Oc1ccc(C(=O)O)cc1 2356628715 BYQMQHNNJXDZRO-UHFFFAOYSA-N 400.559 7.104 0 1 HKAF CCCCC[C@@H](O)C=CC(=CCCCCCCCC(=O)O)CCc1ccccc1 2356690950 RNIHHPVQKRWFSE-RUZDIDTESA-N 400.603 6.858 0 1 HKAF CC[C@@H](C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356732217 GYDIPQRLDOTECG-FDVBFTCWSA-N 410.730 9.076 0 1 HKAF CNc1nc2cnc(Nc3ccccc3Cl)cc2n1-c1cccc(C(F)(F)F)c1 205235110 QTIRHEFSWYHBIZ-UHFFFAOYSA-N 417.822 5.878 0 3 HKAF O=C(NC1CCCC1)c1c(-c2ccccc2Cl)noc1-c1ccc(F)cc1Cl 2481167 BVMSKLWXNJROQX-UHFFFAOYSA-N 419.283 6.127 0 1 HKAF COc1ccc(Nc2cc(C(=O)N[C@H]3CCCC[C@H]3C)c3ccccc3n2)cc1OC 4909591 HBENYDZJTHQUQX-UZLBHIALSA-N 419.525 5.304 0 1 HKAF CC(C)c1cccc(C(C)C)c1OC(=O)NC(=O)SCc1ccc(Cl)cc1 13738033 ZKGRFGHBTVBHDR-UHFFFAOYSA-N 405.947 6.729 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCc1ccc(O)cc1 13760078 YSOGPKZWDUJRGP-DOFZRALJSA-N 409.614 7.154 0 1 HKAF in-vivo CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(O)c(C)c1 13821570 PJZRXHQEYPAKJT-LDADJPATSA-N 410.539 5.060 0 1 HKAF CCCCCCOP(=O)(OCCCCCC)C(Cl)(Cl)P(=O)(O)O 26392855 IHUMOFFMXCGBRM-UHFFFAOYSA-N 413.215 5.640 0 1 HKAF Cc1ccc(SC(=O)C(C)(C)C)c(NC(=O)C2(CCC(C)C)CCCCC2)c1 26578312 JSYXYDXGEHBYGH-UHFFFAOYSA-N 403.632 6.985 0 1 HKAF Clc1ccccc1CO[C@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 27547892 MCBFENXHBLXDFW-SXOMAYOGSA-N 417.980 6.152 0 1 HKAF CCC(=O)N1c2ccccc2[C@@H]2CN3C[C@@H](c4ccccc4)c4ccccc4[C@@H]3C[C@H]21 27992292 DGVVVDGSJLZSRK-LTMODKEVSA-N 408.545 5.488 0 1 HKAF CCCCCOc1cc2ccccc2cc1[C@H](O)CCCCCCCC(=O)OC 28527642 SDYGVCKEVRKYCO-HSZRJFAPSA-N 400.559 6.346 0 1 HKAF CCN1CN(CC)[C@@H](c2cc(Cl)cc(Cl)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 28766255 NAJIOAZQNDXDTB-OALUTQOASA-N 418.195 6.698 0 1 HKAF C[C@@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O 33820976 GMTQWYNNGJJVNK-UKKSSDLSSA-N 418.662 6.533 0 1 HKAF O=C(O)CCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(O)cc1 35299681 IZLJZZQDIZKMMG-LVZFUZTISA-N 418.574 6.495 0 1 HKAF C=C(F)c1sc(CNCCCNc2nc3ccccc3[nH]2)c(C)c1Br 38939752 DXHGXEILBIMLFC-UHFFFAOYSA-N 423.355 5.227 0 1 HKAF O=C(c1ccc(Cl)cc1)c1c(C(F)(F)F)nn(-c2ccc(Cl)cc2)c1O 40862542 CVJDADZGMFAQPZ-UHFFFAOYSA-N 401.171 5.135 0 1 HKAF Cc1ccc(OCc2nnc3sc(-c4sc5ccccc5c4Cl)nn23)cc1 49111998 SFTKBWNIJNVXEE-UHFFFAOYSA-N 412.927 5.608 0 1 HKAF CCNC(=O)N[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(n5ccnc5)=CC[C@H]4[C@@H]3CC[C@@H]2C1 141905804 CUYBGUWAAACGAV-XOYJEQECSA-N 410.606 5.064 0 1 HKAF Nc1n[nH]c2cccc(-c3ccc4c(C(=O)Nc5cc(F)cc(F)c5)cccc4c3)c12 169350186 HQOROPSXXJHJSH-UHFFFAOYSA-N 414.415 5.496 0 1 HKAF COc1ccccc1[C@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccccc1 169358667 JYQFJBJVYZDINM-MQSCRBSSSA-N 406.482 5.540 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 199379730 KZWQCRVASYOFHQ-RUXQDQFYSA-N 418.662 5.474 0 1 HKAF CC(C)=CCC[C@](C)(O)/C=C/C/C(C)=C/CC/C(C)=C/Cc1cc(O)cc(C)c1O 238773690 XBSFKKHIMQOPQZ-ZDKFSMGMSA-N 412.614 7.065 0 1 HKAF CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@@H]3CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@@]21C 255220089 IRDLMDPZMBOLNU-ADUDSOBUSA-N 412.702 8.067 0 1 HKAF Cc1nn2c(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c(-c3ccc(F)cc3)nc2s1 473124820 XFMJUOIUEXGIEI-UHFFFAOYSA-N 418.284 5.755 0 1 HKAF CCC[C@H](OC)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586989597 LXEDYZALSJSUJQ-DEOSSOPVSA-N 409.485 6.306 0 1 HKAF Cc1ccc2c3c(c4c(nc13)C[C@H](NC(=O)OC(C)(C)C)CC4)-c1ccccc1C2=O 586996890 QZJQAQSZHZSSPA-OAHLLOKOSA-N 414.505 5.137 0 1 HKAF Fc1cc2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2cc1Br 587052184 YAIFVDQZWYBCGH-YUMQZZPRSA-N 400.078 6.042 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(F)cnc(Cl)c2[nH]1 587072839 YCFYNHPEGFXSOH-VCEFJNLBSA-N 410.707 6.423 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(OCCC(=O)O)cc4)nc13)-c1ccccc1C2=O 587098346 XHUSPUDVLVAWRD-UHFFFAOYSA-N 409.441 5.275 0 1 HKAF CCOC(=O)C(=C1SCS1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587102823 ZCNGWNDVCPWJNT-UHFFFAOYSA-N 419.527 5.424 0 1 HKAF Cc1ccc(/C=C\c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1F 587146848 YLFHKSVROMJWRZ-PLNGDYQASA-N 415.184 5.842 0 1 HKAF Clc1cc2nc(/C=C/c3cccc(I)c3)[nH]c2nc1Cl 587183684 GLYAIBIYTFTTFA-SNAWJCMRSA-N 416.049 5.040 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(Oc3ccccc3)cc2[nH]1)C(C)(C)C 587203299 DVZFIHQRASXZSH-FQEVSTJZSA-N 409.530 5.837 0 1 HKAF Cc1nc2cccc3c2c(c1Cc1ccc(OC[C@@H]2CO2)cc1)-c1ccccc1C3=O 587209702 SFUMHBHLTPGHHU-LJQANCHMSA-N 407.469 5.123 0 1 HKAF CC(=O)Oc1ccc2c(c1)CC=C1[C@H]2CC[C@]2(C)c3nc4cccc5c4c(c3C[C@H]12)CC5 587214455 QHFVEQHPTYTBSN-TXOCWCCNSA-N 421.540 5.749 0 1 HKAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc(Cl)cc2[nH]1 587230303 DAEKJXGWKCGJDY-UHFFFAOYSA-N 406.873 5.106 0 1 HKAF O=C1c2ccc(O)cc2OC2(CCN(c3ccccc3F)CC2)[C@@H]1c1ccc(F)cc1 587330820 FYRSOPLMPCEGOQ-HSZRJFAPSA-N 421.443 5.069 0 1 HKAF Cn1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587342690 PBCAFXUVQWFPEO-ZCYQVOJMSA-N 401.437 5.297 0 1 HKAF CC[C@]1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2O1 587356863 RVEAKPUPPYOXOG-LGPLSSKUSA-N 418.464 5.737 0 1 HKAF CCn1cc(Cl)c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)n1 587358500 BXGWWNMXRKNENU-UHFFFAOYSA-N 403.869 6.193 0 1 HKAF C[C@]1(c2ccccc2C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358880 YVKWMPFHVDWPAR-AOYPEHQESA-N 402.465 6.073 0 1 HKAF COc1cccc(-c2cc(-c3c(Cl)ccc(C)c3F)nc3c2oc2ccccc23)c1 587359825 ILZDEPWYCFYJFE-UHFFFAOYSA-N 417.867 7.425 0 1 HKAF COc1cccc(-c2cc(-c3cc(Cl)c(C)cc3F)nc3c2oc2ccccc23)c1 587360936 VEWQCWDDAOGIRL-UHFFFAOYSA-N 417.867 7.425 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCc1ccccc1Br)(C(C)(C)C)O2 587376166 HYXFLJWDUAEPMQ-JOCHJYFZSA-N 416.359 5.723 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1ccccc1Cl 587379801 WUWOZPJWFPIOFK-QFIPXVFZSA-N 423.896 5.525 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C(=O)O)c(Cl)c4)cc1)[C@@H](C2)C3=O 587418462 HYXKQIYXBTXVLO-FDDCHVKYSA-N 420.848 5.203 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCc3ccccc3Cl)c1)CC2=O 587461054 JMQVEXWDGYZPHJ-XMMPIXPASA-N 422.908 6.284 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1c1ccc(Cl)c(Cl)c1)CC2=O 587463109 UEKLWYAVARPNPO-AOMKIAJQSA-N 405.321 6.323 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCOc1ccccc1)(c1ccc(F)cc1)CC2=O 587466720 MKIFCHCURGUEPV-AREMUKBSSA-N 420.480 5.814 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1NC(=O)OC(C)(C)C)CC2=O 587470407 MJXQBXPQEPVGBA-XMMPIXPASA-N 411.498 5.572 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1cccs1)([C@@H](O)c1cccs1)CC2=O 587495384 QPOMGXFFOWCUCR-SFTDATJTSA-N 400.521 5.062 0 1 HKAF COC(=O)c1cncc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c1 587515722 PNXKGTLZTQVXTB-DEOSSOPVSA-N 413.473 5.121 0 1 HKAF O=C1C[C@]2(C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)Oc2c1ccc1c2CCCC1 587519287 XUSMGHTYAUMCEO-NEEULUBSSA-N 401.550 5.487 0 1 HKAF Cc1ccccc1COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524367 NBUHOHNERRMILW-NDEPHWFRSA-N 412.529 6.333 0 1 HKAF O=C1C[C@H](c2cc3c(Br)cccc3s2)Oc2c1ccc1c2CCCC1 587535623 MZNKMCLZHMYRCS-GOSISDBHSA-N 413.336 6.249 0 1 HKAF Cc1cc(Cl)cc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nc12 587552371 QUZSYUAOWCVGIH-RDPSFJRHSA-N 417.848 5.605 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(O)cc1 587605516 AGUZMHXSGMMCHA-ZEQKJWHPSA-N 410.425 5.003 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1ccc(O)cc1 587609221 NQPVJPNSNZKLFJ-ZEQKJWHPSA-N 410.425 5.468 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccsc2)n1 587610220 FJGYOEWAICIAPY-FXAWDEMLSA-N 407.472 5.280 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc([C@@H]2CCCCO2)s1 587612223 LFKPFWSOHSKYFA-GRWTVWFQSA-N 408.475 5.398 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1cccs1 587615728 XQLGLYSJGRUTFZ-RCZVLFRGSA-N 414.482 5.554 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3cc(Cl)ccc3Cl)[nH]c12 587624864 VNPCMRRLZOIURT-UHFFFAOYSA-N 406.618 6.849 0 1 HKAF Fc1cc2c(-c3ccccc3Br)c(-c3ccccc3)[nH]c2cc1Cl 587628388 NOUALNOQQXKRJW-UHFFFAOYSA-N 400.678 7.057 0 1 HKAF COc1ccc(-c2[nH]c3cc(F)ccc3c2-c2ccccc2F)c(Br)c1 587635013 XVDUGUWUCPLVQX-UHFFFAOYSA-N 414.249 6.551 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cc(Cl)ccc3Cl)c2c1 587639765 CGKCXEHUNAFPOO-LLVKDONJSA-N 404.293 6.006 0 1 HKAF CC(C)Cn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587754171 DAPLGIXTSMFHRP-FPTDNZKUSA-N 415.350 5.823 0 1 HKAF COc1cc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc(OC)c1O 587786757 WTOABUNQLODKJU-UHFFFAOYSA-N 403.463 5.229 0 1 HKAF COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)(C)C 587805230 DTURYHXVZAXGJC-MCMMXHMISA-N 420.366 5.692 0 1 HKAF CCCOc1ccc2[nH]cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587806148 VFXWVFJQRPIUOD-QKVFXAPYSA-N 417.322 5.482 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cccc(Br)n1 587854912 HLAVENOXTJFILA-UHFFFAOYSA-N 413.102 5.402 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cccs2)(c2cccs2)N1 587855378 VJKBZAOQQHJOPX-HXPMCKFVSA-N 422.388 5.732 0 1 HKAF Nc1c(Br)cccc1-n1c(O)cc(-c2c(Cl)cccc2Cl)c1O 587935788 QEKOZJZZAOEKLJ-UHFFFAOYSA-N 414.086 5.207 0 1 HKAF O=C(CCCCCN1CCC(c2ccccc2)CC1)n1c2ccccc2c2ccccc21 653687407 AALPFXLQUFQEIQ-UHFFFAOYSA-N 424.588 6.875 0 1 HKAF C[C@H](NCCCCNc1ccnc2cc(Cl)ccc12)C12CC3CC(CC(C3)C1)C2 653715995 IRCYRZBUQDWBGZ-SELVFMLMSA-N 412.021 6.275 0 1 HKAF Cc1ccc(C)c(-n2ncc([C@]3(C)NCCc4cc(-c5ccccc5)ccc43)c2C)c1 962659105 DSRIUEZRDOXEHB-MUUNZHRXSA-N 407.561 5.874 0 1 HKAF Clc1ccc(C2=NN(c3ccccc3)[C@@H](c3cccc(Cl)c3Cl)C2)cc1 1772587629 LXVQVLCJMTXPKB-HXUWFJFHSA-N 401.724 7.003 0 1 HKAF COc1cc(N[C@@H](C)CCCNC(=O)Nc2ccc(Cl)cc2)c2ncccc2c1 1772589202 URTFFIAHAPLONG-HNNXBMFYSA-N 412.921 5.299 0 1 HKAF COc1ccccc1CC[C@H]1CN(Cc2c[nH]c3cccc(F)c23)CCC1(F)F 1772597781 MMNKQNHQNDNRGN-SFHVURJKSA-N 402.460 5.406 0 1 HKAF COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3n2C[C@@H](C)OCC3)ccc1C(F)F 1772611813 FJYOTWICDFMWGR-OAHLLOKOSA-N 413.468 5.136 0 1 HKAF CC1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)O[C@H]3Nc3cccc(F)c3)[C@H](C)CC[C@@]12C 1857639357 SHDSVQWMDUIAEO-BFBQSLTNSA-N 411.561 6.626 0 1 HKAF CNCCN(C)C(=O)[C@@H](C)C1=C(C)/C(=C/c2ccc(SC)cc2)c2ccc(F)cc21 1857750948 DXXSYXLZYAXYEB-CPEHUTGBSA-N 424.585 5.189 0 1 HKAF COc1c2c(c(/C=C\C(C)(C)O)c3oc(-c4ccccc4)cc(=O)c13)OC(C)(C)C=C2 1911574571 FIBZIGVCLXBQFL-QBFSEMIESA-N 418.489 5.437 0 1 HKAF CCC[P@@](=O)(Oc1ccccc1)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 1911577305 WOHAKZQAGRWZAR-YUDQIZAISA-N 423.449 6.379 0 1 HKAF Oc1cc(O)c2c(c1)CCCC=CCCCCCCCCCc1cc(O)c-2c(O)c1 2356563469 FVFRWPLEBQLVDY-UHFFFAOYSA-N 410.554 6.732 0 1 HKAF CC1(C)C(=O)[C@@H]([C@@H](O)c2ccccc2)C[C@]2(C)[C@H]1CC[C@]13C=C[C@@H](C[C@@H]12)[C@@](C)(O)C3 2356671987 RLGBUTVIBWFTRW-LFZRQNLFSA-N 408.582 5.085 0 1 HKAF CC(C)=CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356705624 XCQNGBGTCUKMDI-WEQNDWFXSA-N 416.646 5.250 0 1 HKAF CC[C@H](C)NC(=O)C=CC=CCCCCCCC=CCCc1ccc2c(c1)OCO2 2356725283 CILZQJJRCOHAIW-QFIPXVFZSA-N 411.586 6.272 0 1 HKAF CO[C@@H]1OCC2=CC[C@@H]3[C@](C)(CC[C@H]4[C@]5(CO)CCCC(C)(C)[C@H]5CC[C@]34C)[C@H]21 2356759200 QZOGSLSUTNSYEO-LYDVPMSSSA-N 402.619 5.573 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@@]21C 2356809862 ATUXXZWQMBABQB-IDSGRSSVSA-N 416.646 5.252 0 1 HKAF CCCC(=O)Nc1nc(C)c(-c2csc(Nc3cc(OC)ccc3OC)n2)s1 8579124 RQIXNJMNDVUAKH-UHFFFAOYSA-N 418.544 5.074 0 3 HKAF CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCc1ccccc1N 4080442 WGDNSYGQIVSJJZ-LOSJGSFVSA-N 421.585 5.723 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 6267322 QQWIMVRGPKFDGM-YTUUJDGZSA-N 424.713 8.543 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](C)C[C@H]4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 27299805 PVJNSDNELNARLT-VHYBNMORSA-N 413.690 6.950 0 1 HKAF CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCC3 28949066 XMLWNBAAKFATJS-UHFFFAOYSA-N 400.569 5.227 0 1 HKAF CN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(Br)cc32)CC1(C)C 36238023 NAYPPFWCBZMRQV-TZIWHRDSSA-N 417.366 5.191 0 1 HKAF Cc1ccc(C2(N3CCC4(CC3)C(=O)NC[C@H]4c3ccc(F)cc3)CCCCC2)cc1 38147569 HOSBRYYPJMPNCU-DEOSSOPVSA-N 420.572 5.289 0 1 HKAF O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccc2ccccc2c1 43062416 XUJDFMQAYJAYJF-UHFFFAOYSA-N 422.556 5.979 0 1 HKAF Cn1cncc1C(=O)Nc1cccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)c1 45191231 DBUUZZZNHVWYNW-UHFFFAOYSA-N 411.440 5.022 0 1 HKAF C[C@H]1CN(Cc2ccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)cc2)C[C@@H](C)O1 45303037 ILNGTPCQDDKIAH-HDICACEKSA-N 415.512 5.645 0 1 HKAF Cc1c(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cnn1-c1ccccc1 64548365 LERATUINYXNVCF-UHFFFAOYSA-N 411.387 5.280 0 1 HKAF C[n+]1cccc2c1c1cc(C(F)(F)F)ccc1n2CCCCCC1CCCCC1 71294465 VPPVPJMAPNKYDB-UHFFFAOYSA-N 403.512 6.779 0 1 HKAF COc1cc(CN(C)Cc2coc(-c3cccc4ccccc34)n2)cc(OC)c1OC 72102964 SJILROQXQCHPMZ-UHFFFAOYSA-N 418.493 5.153 0 1 HKAF CCCCCCC(C)(C)c1cc(OC)c([C@@H]2[C@H](O)[C@]3(C)CC[C@H]2C3(C)C)c(OC)c1 72315130 VTTPPQRKLCGACC-BEETVVMDSA-N 416.646 6.852 0 1 HKAF CCCCN(CCCC)C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1 73160604 BKRXEDXQIQRTKG-HSZRJFAPSA-N 411.586 5.144 0 1 HKAF CCn1c2ccccc2c2cc(NC(=O)N3CCC4(C=Cc5ccccc54)CC3)ccc21 73223361 LMDHVXCUABOUPW-UHFFFAOYSA-N 421.544 6.407 0 1 HKAF COc1ccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccccc3C)n2)cc1 82177728 MATGGCGACFDZRB-UHFFFAOYSA-N 414.509 5.387 0 1 HKAF CC[C@H](C)Cn1c(C2CC2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 82179051 VIGLXSGBPYCRQX-ZDUSSCGKSA-N 403.452 5.381 0 1 HKAF COC(=O)CCSC/C=C(\C)CCn1cc(CC/C=C(\C)CCC=C(C)C)nn1 84652057 YLFITGJHZYHYPF-OYNCKMKSSA-N 419.635 5.536 0 1 HKAF O=C1Nc2c(Br)cccc2/C1=C(\c1ccccc1)c1nc2ccccc2[nH]1 84687650 UBWOYAHTNNNZIM-HNENSFHCSA-N 416.278 5.237 0 1 HKAF Fc1ccccc1Nc1nc(Nc2ccccc2F)nc(Nc2ccccc2F)n1 90558706 PHRXQCKPRSZDEE-UHFFFAOYSA-N 408.387 5.520 0 1 HKAF CC(C)(C)CC(=O)Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 96173967 WRUDNKLWYWQYBO-UHFFFAOYSA-N 423.520 5.601 0 1 HKAF C[C@H]1CC[C@@]2(C)CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C 100780307 DIFWJJFSELKWGA-MOILTKOCSA-N 424.713 8.233 0 1 HKAF endogenous,in-man CC(=O)Oc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3cc4c(cc32)OCCO4)cc1 101815643 PYMMMAOGFIWQCZ-QHCPKHFHSA-N 419.477 5.233 0 1 HKAF CCCO[C@]1(Cc2ccccc2)CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 118920123 MKCYOXUBJNGTKG-HRPDQRDOSA-N 422.653 7.006 0 1 HKAF CN1[C@H]2CC[C@H]1CC(O[C@@H](c1ccc(F)cc1)c1cccc(Br)c1)C2 139143860 MTATUXXQZDSZDW-ZJOUEHCJSA-N 404.323 5.319 0 1 HKAF NCCCNCCCNC(CCCCC1CCCCC1)CCCCC1CCCCC1 169315391 KFNHMNXHDWAQFR-UHFFFAOYSA-N 421.758 6.555 0 1 HKAF C[C@H](CN1CCCC[C@H]1CC1CCCCC1)c1cccc([C@@H](N)c2ccccc2)c1 253806614 NBDIZIFCDBWQLF-WWEDSPNTSA-N 404.642 6.663 0 1 HKAF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3C(=O)CC[C@]3(C)CC[C@]21C 255228398 LSUIHIUUMWDFSZ-SNSDIZMKSA-N 400.647 6.402 0 1 HKAF CC(C)=CCC[C@@](C)(O)CCC/C(C)=C/Cc1c(O)c(Cl)c(C)c(C(=O)O)c1O 299829418 UPKGCCJDPUMZAM-WIJYMUHASA-N 424.965 5.914 0 1 HKAF O=C(CCCc1ccccc1)Nc1onc(-c2ccc(F)cc2)c1-c1ccncc1 299839683 SEEWCRBMQGEXIL-UHFFFAOYSA-N 401.441 5.504 0 1 HKAF FC(F)(F)Oc1cccc2nc(COc3ccc(Cl)cc3Br)[nH]c12 586976963 JCUKUMIOUYVGBE-UHFFFAOYSA-N 421.600 5.456 0 1 HKAF CCOC(=O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1 586977173 YTWORTGYMLEWDS-UHFFFAOYSA-N 414.086 5.476 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc2c(cc1OCC3)CCC2 586990432 FIQWVCIVFGSZPC-UHFFFAOYSA-N 405.453 5.242 0 1 HKAF Cc1ccc2c3c(cc(Cc4ccc(Cl)c(Cl)c4)nc13)-c1ccccc1C2=O 586994004 UCGZDOFEWPLLOL-UHFFFAOYSA-N 404.296 6.652 0 1 HKAF CCc1ccc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2c1 587004920 DDNOOJRIPKYAAJ-UHFFFAOYSA-N 411.141 5.700 0 1 HKAF Cc1c(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029457 OXWUEGADKITJGW-UHFFFAOYSA-N 424.835 5.385 0 1 HKAF Clc1cc(Br)c2[nH]c(-c3cc(-n4cccc4)ccc3Cl)nc2c1 587049969 KZFVEEPEDHPGMB-UHFFFAOYSA-N 407.098 6.090 0 1 HKAF C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(N)ncc2[nH]1 587055282 OFHOSNHBDPOOFJ-NSHDSACASA-N 415.280 5.779 0 1 HKAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2cc(Br)cnc2[nH]1 587128724 OLAKBNGFLSOSMJ-UHFFFAOYSA-N 407.243 5.449 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3F)nc2c1 587152341 LZSWLVWYCHZUAR-VXGBXAGGSA-N 421.241 5.051 0 1 HKAF CCCCOc1cc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2cc1Br 587176821 UDAJHSVLXYFJCM-UHFFFAOYSA-N 403.255 5.187 0 1 HKAF CCC[C@H]1CC[C@H]([C@H]2CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)CC1 587206691 GVPGXUUYZDMKIV-UFYCRDLUSA-N 409.573 7.158 0 1 HKAF CCCCCc1cc2c(s1)CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587207451 FAXLLPNSCDSNMU-UHFFFAOYSA-N 409.554 7.006 0 1 HKAF CCN(C)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587338974 QWLWBBUNRAWAAD-ILBGXUMGSA-N 405.469 5.262 0 1 HKAF COc1ccc([C@]2(C(C)(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587346341 BJRQVEBDIOEQOF-BVAGGSTKSA-N 420.480 5.840 0 1 HKAF CCc1cc(CC)c2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)c1ccccc1S2 587412930 FGINAASENFTQHM-AREMUKBSSA-N 415.558 6.076 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccn1[C@@H](CC(C)C)C(=O)OCC)CC2=O 587469314 CNYSTOKKXFXSAO-UGKGYDQZSA-N 413.514 5.003 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCc3ccccc3C)c1)CC2=O 587476296 BALAOCIQEZSCIE-RUZDIDTESA-N 402.490 5.939 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC2=O 587479807 CQXLSNPOXJHQNO-HHHXNRCGSA-N 424.581 6.526 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1)CC2=O 587482436 ZVCDYXOSIXPMFP-KOSHJBKYSA-N 417.546 5.104 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](CC(=O)O)CCC[C@H]1c1ccccc1 587491024 TXDUOLHILNWVLH-APJQNUAFSA-N 408.494 5.107 0 1 HKAF O=C1C[C@@H](c2ccc3ccc(Br)cc3n2)Oc2c1ccc1c2CCCC1 587495835 GHVKSMUQHJYCQT-NRFANRHFSA-N 408.295 5.583 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cccc1N1CCCC1 587547937 VJVQUJZHECOMST-ZJSXRUAMSA-N 421.880 5.349 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(C(F)(F)F)c1F 587550147 SXQHITGYZVTFEH-MGPUTAFESA-N 422.305 5.392 0 1 HKAF Cc1ccc(C)c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587600277 AKINFZWPDPWKJS-NAKRPHOHSA-N 422.480 5.914 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(O)cc2)cc1 587606751 FZHFCYHLFDGDNP-BVAGGSTKSA-N 410.425 5.468 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(C(=O)C(F)(F)C(F)(F)F)c2c1 587642160 PVDUHVRKLXJYCD-NSHDSACASA-N 413.361 6.868 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(F)(F)F)cc2)N1 587711853 MRSIFPUZYUDRIV-QGHHPUGFSA-N 418.228 5.153 0 1 HKAF Cc1cc(F)ccc1-c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587727529 BPWSYGZPVYMKEG-XUSGNXJCSA-N 418.281 5.919 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3cccc(F)c3)n2)N1 587733889 SSLVYRRKCNIXRS-MGNBDDOMSA-N 421.310 5.474 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C[C@H](C)c2cn(C)c3ccccc23)N1 587759796 VPMFRHSESMEABN-CKFHNAJUSA-N 415.350 5.849 0 1 HKAF Cc1cccc(-c2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 587820078 OPAMTGKNFQUTNB-IQMFZBJNSA-N 410.330 6.187 0 1 HKAF Cc1oc(-c2cccs2)nc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587855467 VXZHLMJENLZJTB-HUTHGQBESA-N 407.308 5.237 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccccc1F 587856229 UDVGNAUUXBDLRO-GFCCVEGCSA-N 423.271 5.502 0 1 HKAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c2)c1 587933014 IOFZBWVUEPZGLS-UHFFFAOYSA-N 424.525 6.762 0 1 HKAF COc1c(Cc2ccccc2)cc(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 587946841 YWKIPJIFZVJQSG-QFIPXVFZSA-N 405.469 5.747 0 1 HKAF CCCCCc1cc2c(s1)CCC[C@@]21c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962623661 KRNPSZGAXJTDDX-NSYGIPOTSA-N 413.627 5.954 0 1 HKAF CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1[C@H]1NCCc2cc(-c3ccccc3)ccc21 962668892 RGYOZOWYFMFYPK-DPZBCOQUSA-N 420.597 6.014 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C[C@@H](C)CC(=O)O)(c2ccc(C)cc2C)N1 962950714 SMZWULVWUVDQMD-BNJIMDBKSA-N 404.554 5.454 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cccc(-c3ccccc3Cl)c2)N1 962955175 XRXDZLWHFWMIFF-BCHFMIIMSA-N 400.953 6.676 0 1 HKAF Cc1ccccc1C(=O)/N=c1\scc(C)n1-c1cc(Cl)c(Cl)cc1Cl 1857542245 PZNYCWIBNCELPL-PYCFMQQDSA-N 411.741 5.857 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CCC2=C3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356486460 TXYKXUMXTVCWMN-SYISWHSXSA-N 402.663 6.504 0 1 HKAF CC1=CCC[C@](C)(CC[C@]2(C)C(C)=CCC[C@@H]2C)O[C@H]1[C@H](O)c1cc(O)ccc1O 2356631045 NSUMOOGGTKRLQO-WWCQIOBWSA-N 414.586 6.178 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)CC3=CC[C@]12O 2356802368 SDGAIHVWQSMGOY-SGOUIYNDSA-N 416.690 6.750 0 1 HKAF CCOC(=O)c1c(C)n(Cc2ccccc2)c2c1cc(O)c1[nH]c3c(c12)CCCC3 1663407 ZJOBYXVYSJBSSF-UHFFFAOYSA-N 402.494 5.240 0 1 HKAF COc1cccc(-c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3)c3cnccc23)c1 4490599 QMPLJAUNMPNDSI-LOSJGSFVSA-N 408.501 5.330 0 1 HKAF O=c1cc(NC2CCN(Cc3ccc4sccc4c3)CC2)c2cc(Cl)ccc2o1 13673207 MHJBIYWKMDQWTP-UHFFFAOYSA-N 424.953 5.738 0 1 HKAF CCOc1cc(/C=C/C(=O)O)ccc1-c1ccc(O)c(C23CC4CC(CC(C4)C2)C3)c1 27106890 DCWHAJXIWGEOKO-XBXARRHUSA-N 418.533 6.024 0 1 HKAF CCc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1CC[C@H]1C[C@@H](O)CC(=O)O1 27710082 PNHBRYIAJCYNDA-RTWAWAEBSA-N 419.496 5.116 0 1 HKAF in-vitro CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(-c2ccccc2)cc1 28757996 RGGPHQHGSSWOON-UHFFFAOYSA-N 415.621 7.887 0 1 HKAF O=C1OC[C@H]2[C@@H]1Cc1ccc(Cl)cc1[C@@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1 28823230 HNYHPPOCQUDQJB-TVUVQBGUSA-N 419.883 5.683 0 1 HKAF COc1cc(O)c(-c2c(C)cc(OC)c3c(O)cccc23)c2c1[C@@H](C)N(C)[C@@H](C)C2 38359259 RYURKGJPUKJSGC-LSDHHAIUSA-N 407.510 5.181 0 1 HKAF biogenic Cc1ccc(C2=CCC(C)(C)c3cc([C@@H](O)/C=C/c4ccc(C(=O)O)cc4)ccc32)cc1 38559882 AVLJAELXNLCNBA-HJTIZKHNSA-N 424.540 6.553 0 1 HKAF C[C@]12CC[C@@]3(CCC(=O)O3)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1 40402403 WNHJVYHUSOTSDL-WAOBERLOSA-N 400.559 5.181 0 1 HKAF CCCOc1ccc(Oc2ccc(-c3ccc([C@@H](C)NC(=O)[C@H](C)O)cc3)cc2)cc1 45245486 LONHCXUKBQXAMV-MOPGFXCFSA-N 419.521 5.493 0 1 HKAF COc1cc(-c2nc(-c3cn(C)c4ccccc34)co2)ccc1OCc1ccccc1 49111988 FLDMOMUDRDGYCX-UHFFFAOYSA-N 410.473 6.088 0 1 HKAF O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(NCCc3ccccc3)ccc12 61943063 JURUHTNYTBTIQN-GJZUVCINSA-N 412.533 5.912 0 1 HKAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2ccccc2F)C1 82151202 FVMAFWZWUAGERK-QZTJIDSGSA-N 412.553 5.026 0 1 HKAF CC[C@H](C)[C@H](Nc1nc(-c2ccc3ccccc3c2)cs1)C(=O)NCC(F)(F)F 82195276 YRBPRDBDFNZGEJ-UGSOOPFHSA-N 421.488 5.468 0 1 HKAF CCCC(CCC)N1CCN2N=C(c3ccc(Cl)cc3Cl)[C@@H]3N=C(C)C=C1[C@@H]32 95092800 KVGGRLICTYWBLN-VXKWHMMOSA-N 419.400 5.393 0 1 HKAF investigational COc1cccc(Cl)c1[C@H]1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1 103270535 VVOFYAIDQUPWND-MRXNPFEDSA-N 413.823 5.501 0 1 HKAF CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc2c(c1)OCO2 104691041 PXSDJLIATFZJAP-QHCPKHFHSA-N 404.466 5.228 0 1 HKAF COc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1ccccn1 104694362 NFDOBDQPOYUJHY-QFIPXVFZSA-N 417.509 5.173 0 1 HKAF CCCCNC(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F 105177389 JELQPQNUDRRWPB-ZFDALGJYSA-N 424.564 5.295 0 1 HKAF COC[C@@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2nc3ccccc3s2)c1 113755689 HZHWWXAOANGKFD-QGZVFWFLSA-N 416.546 5.703 0 1 HKAF N#Cc1ccc(COc2ccc3c(c2)cc2n3CC[C@H]2CC(=O)O)cc1C(F)(F)F 117797589 YYYIRGICSGJFRZ-AWEZNQCLSA-N 414.383 5.073 0 1 HKAF COC[C@@H](C)NC(=O)c1cc(NC(=O)c2cc(C)cs2)cc(-c2ccc(C)cc2)c1 142606716 VJYSUTQTTVEBQM-QGZVFWFLSA-N 422.550 5.049 0 1 HKAF CCN(CC)c1cccc2nc(Nc3c(C)cc(Br)cc3OC)n(C)c12 142745374 DVKMFNKGNQRAGL-UHFFFAOYSA-N 417.351 5.243 0 1 HKAF Cc1cnc(-c2ccccc2C(F)F)nc1NCc1ccc(-c2cccnc2)cc1 169304629 QDALJICMDNUDOR-UHFFFAOYSA-N 402.448 6.064 0 1 HKAF CCCCC1([C@H](O)/C=C/[C@H]2CCC(=O)[C@@H]2C/C=C\CCCC(=O)OCC)CCC1 169315185 QSDNDUMQMPXQRC-UMHYWITLSA-N 404.591 5.539 0 1 HKAF CCCCC1([C@H](O)/C=C/[C@H]2CCC(=O)[C@@H]2CCCCSCC(=O)OCC)CCC1 169315234 OKBAXITUKPXETI-UTPGXHBSSA-N 424.647 5.326 0 1 HKAF CCN(CC)C(=S)S[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)cc1 169345008 YNQWJYDNFRZPCJ-RBUKOAKNSA-N 405.972 5.385 0 1 HKAF O=S1(=O)C(c2ccccc2)=C(c2ccccc2)[C@H]2[C@H]3CC[C@@H](C3)[C@]21N1CCCCC1 169345593 UKYDGBIQJSMNLJ-TVKXAPEFSA-N 419.590 5.212 0 1 HKAF COc1ccc(-c2ccc3c(=O)n(C)c4cc(-c5cccc(Cl)c5)nn4c3c2)cc1 169350945 BTDWCHIFRNAVIB-UHFFFAOYSA-N 415.880 5.182 0 1 HKAF CCCC[C@@H](CC)OC(=O)[C@H]1CCC[C@@H](NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 169728068 DHMWTPQCLPNDHA-VZJZZYENSA-N 418.622 5.325 0 1 HKAF CC(=O)O[C@H]1[C@H]2CC[C@H]1[C@@H]1[C@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 254079207 SBDFAYSYHLEGJM-KILNHXCBSA-N 424.966 5.036 0 1 HKAF C[C@@H](CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O 263614856 WWAMLGNSINNDPI-NDGCQPAQSA-N 416.646 6.453 0 1 HKAF in-vitro CC(C)ON([C@@H](C(=O)N=O)C(C)C)S(O)(O)c1ccc(-c2ccccc2)cc1 263620773 MXPNLADBKSBRBU-LJQANCHMSA-N 406.504 5.338 0 1 HKAF in-vitro C[C@H]1C[C@H]1c1cc(NC(=O)Nc2ccc(C(F)(F)F)cc2)n(CC(F)(F)F)n1 299829178 TZRXUBZFLCGBEA-JOYOIKCWSA-N 406.330 5.232 0 1 HKAF O[C@H](C[C@H]1CCCCN1)[C@H]1CC(c2ccccc2)=Nc2c(Cl)cc(Cl)cc21 299849565 CPJBOOQQIJJGOX-LLGFUMIMSA-N 403.353 5.495 0 1 HKAF CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 299878078 IIPZTAMXPAQETP-IPHXSNPTSA-N 402.535 5.779 0 1 HKAF Cc1ccc(-n2ccnc2SCc2nc3cccc(C(F)(F)F)c3[nH]2)c(C)c1 586966221 JUJIZLZOKTZKCR-UHFFFAOYSA-N 402.445 5.677 0 1 HKAF O=C1c2ccccc2-c2cc(/C=C/c3ccc(Cl)c(Cl)c3)nc3ccc(O)c1c23 586987060 YKKDQGUSAXEYRC-FNORWQNLSA-N 418.279 6.629 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(F)cc3N3CCCC3)nc3ccc(O)c1c23 586987207 BOCAFBWRFDDXHS-UHFFFAOYSA-N 410.448 5.558 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(-c5ccc(Cl)cc5)no4)nc13)-c1ccccc1C2=O 586991995 BZPBRTVSFWVRHA-UHFFFAOYSA-N 422.871 6.730 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1c(Cl)sc(Cl)c1CC3 586994211 PXHZMUAKGWKUOV-UHFFFAOYSA-N 424.308 6.286 0 1 HKAF Cc1nc(C)c(Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)s1 587012743 TZWDVIMAUDQZNK-UHFFFAOYSA-N 408.365 5.414 0 1 HKAF FC(F)(F)c1cc2nc(CSCc3ccsc3)[nH]c2cc1Br 587024839 BWDIMVKVWHLIGF-UHFFFAOYSA-N 407.280 5.839 0 1 HKAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cccc(C(C)(C)C)c3[nH]2)cc1 587040664 QCMAABMENBGCDC-LJQANCHMSA-N 409.555 5.147 0 1 HKAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 587128046 DXRXVRZJZPAXNJ-UHFFFAOYSA-N 411.355 6.190 0 1 HKAF Cc1nc2cccc3c2c(c1[C@H](c1ccccc1)[C@H]1C(=O)Oc2ccccc2C1=O)CC3 587216512 CQVMDVGZPPAHCZ-IZZNHLLZSA-N 419.480 5.192 0 1 HKAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 587242682 ZGFVYOJGPVLBRC-UHFFFAOYSA-N 406.711 5.630 0 1 HKAF C[C@@H]1CCC[C@@H](N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 587345387 OXVOQUNBUABPLD-WSCWJOSJSA-N 423.528 5.304 0 1 HKAF CCc1c(-c2c[nH]c(C(=O)O)c2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587362380 GDLVBAYQRKFFMZ-UHFFFAOYSA-N 412.445 5.912 0 1 HKAF COc1cccc(-c2c(C)c(-c3c[nH]c4ccccc34)nc3c2oc2ccccc23)c1 587362499 IMEADBKWJKRURY-UHFFFAOYSA-N 404.469 7.113 0 1 HKAF COc1cc(Cl)ccc1-c1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587379469 VCBYGFFFURCUNG-XMMPIXPASA-N 407.897 5.787 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccccc1Oc1cc(C(C)C)ccc1C)[C@@H](C2)C3=O 587443562 RBMSWHGMIWGGKB-KDYSTLNUSA-N 414.501 6.408 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cn([C@@H](CC)C(=O)O)c3ccccc13)CC2=O 587469802 FYBJSTSLHXYQQO-UQBPGWFLSA-N 421.493 5.216 0 1 HKAF O=C(O)c1cccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)c1 587530522 FQNKARXOTCXKCV-FQEVSTJZSA-N 404.487 5.699 0 1 HKAF O=C(c1ccccc1Cl)c1c(-c2ccccc2Cl)[nH]c2cc(Cl)c(F)cc12 587629092 UBNYALQBSAFYPB-UHFFFAOYSA-N 418.682 7.165 0 1 HKAF O=C(c1c(Cl)cccc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657249 SGEPRSOBPPSKPC-UHFFFAOYSA-N 413.235 5.198 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccc(Cl)c(Cl)c2)N1 587695945 OIQMVORBQKBMTP-XTZNXHDOSA-N 417.149 6.103 0 1 HKAF CCc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587708853 FIKNBJVQMFJWFS-BBATYDOGSA-N 416.256 5.491 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(F)c2)N1 587732355 MWNGLLHRXRGEED-FPTDNZKUSA-N 414.293 5.553 0 1 HKAF CCCOc1cc2nc(COC/C=C/c3ccccc3)[nH]c2cc1Br 587781563 XECORQURHQDQKX-RMKNXTFCSA-N 401.304 5.344 0 1 HKAF Cc1ccccc1-c1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587821051 SPQBPZIHBZBWBF-WNSKOXEYSA-N 410.330 6.187 0 1 HKAF Cc1cc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c2cc(Br)ccc2n1 587872202 KIKHIUKIMPIZQA-UHFFFAOYSA-N 424.229 5.103 0 1 HKAF CCOc1cc(C(C)=O)c(OCC)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 587944752 HQFKERJBGGYLRD-UHFFFAOYSA-N 401.409 5.548 0 1 HKAF C[C@]1(c2ccc(-c3ccccc3Cl)s2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962907876 JNASZZKBHJHBDA-UWJYYQICSA-N 401.890 5.070 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)C(/C=C/c2ccccc2)(/C=C/c2ccccc2)N1 962946290 KWWFGVCONHTPCB-USXNYLOWSA-N 404.557 6.714 0 1 HKAF CCOc1ccccc1[C@]1(CCCCC(=O)O)N[C@@H](CC)Cc2c1[nH]c1ccccc21 962950466 NGFHXMZMZJXPBB-QYBDOPJKSA-N 420.553 5.380 0 1 HKAF C[C@H](OCc1ccccc1)[C@@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962955923 MIDPOWPTFCCAQY-KKSFZXQISA-N 405.460 5.003 0 1 HKAF COc1ccc(C)cc1-c1[nH]c2ccccc2c1[C@H]1NCCc2nc3ccccn3c21 962988406 YJUULKLAVWVAKZ-RUZDIDTESA-N 408.505 5.035 0 1 HKAF CCc1ccc([C@]2(c3ccc(OC(C)=O)cc3)NCCc3cccc(Cl)c32)cc1 963391094 PSQGVCMGIFPKIM-RUZDIDTESA-N 405.925 5.265 0 1 HKAF CCCCc1n(Cc2ccc3ccccc3c2)cc[n+]1Cc1ccc2ccccc2c1 1772583630 ZEECSMOPEBPWFL-UHFFFAOYSA-N 405.565 6.521 0 1 HKAF FC(F)(F)c1ccc(-n2ccc([C@H](c3ccc(Cl)cc3)n3ccnc3)c2)cc1 1857583809 GLYVVGKLPYPQFQ-FQEVSTJZSA-N 401.819 5.984 0 1 HKAF CCOc1ccc(-c2c(C)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1 1857593214 JCXSNLPIAPQKBJ-UHFFFAOYSA-N 421.500 5.731 0 1 HKAF O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1ccc2ccccc2c1 1857612945 YBTUSBCKDBJJLT-UHFFFAOYSA-N 423.335 5.902 0 1 HKAF C[C@@H](C=C[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)(C)O 2356389545 YVCLBHXJAIJFNU-CHYPRFAYSA-N 412.658 6.734 0 1 HKAF CC1=C(C=CC[C@H](C)CCC[C@H](C)CCC[C@@H]2CCCC(C)(C)C2)C(C)(C)CCC1 2356415965 CULXOYWCXZXOLD-ZWEKWIFMSA-N 414.762 10.289 0 1 HKAF CC(=CCCC1=CC[C@@H](C2=CC(=O)OC2)O[C@H]1O)CCC1=C(C)CCCC1(C)C 2356524991 SFCKEJIXMBMGDU-LADGPHEKSA-N 400.559 5.537 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4[C@H](C)[C@H](O)CC[C@@]4(C)C3=CC[C@@]12C)C(C)C 2356598731 ZGEARXVVLFISLP-BKWFTKQISA-N 424.713 7.967 0 1 HKAF CC(C)=CCCC(C)=CCc1c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c2c1=O 2356603330 GRRICQNASNJYBZ-UHFFFAOYSA-N 422.477 5.518 0 1 HKAF CC(=CCn1c[n+](C)c2nncc(N)c21)CCC=C(C)CC[C@@]1(C)C(C)=CCC[C@@H]1C 2356819968 FGSZUHSRIRFSSQ-NVQXNPDNSA-N 422.641 5.674 0 1 HKAF CC(C)CCN1CC2=C(CC[C@@H]3[C@]2(C)CC[C@H]2[C@@]3(C)CCC[C@@]2(C)C(=O)O)C1=O 2356861755 UMWFLPKNTCIRHN-NBABOCAUSA-N 401.591 5.279 0 1 HKAF CN(C)CCOc1ccc(-c2c(Oc3ccccc3)c(=O)oc3ccccc23)cc1 1861381 DQZSHZDMLKJXCU-UHFFFAOYSA-N 401.462 5.193 0 1 HKAF CC(C)(C)c1noc(-c2ccc(F)cc2Cl)c1C(=O)NCCOc1ccccc1 2483512 HPUNTKGOVGCETF-UHFFFAOYSA-N 416.880 5.240 0 1 HKAF Cn1cccc1C(=O)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1 3956132 CPOAOJXWAHEXOL-UHFFFAOYSA-N 413.565 5.215 0 1 HKAF CCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12 13611729 VDZROAIEYLMUAT-UHFFFAOYSA-N 421.566 5.006 0 1 HKAF CCCC[C@H]1Cc2cc(OC(C)=O)ccc2-c2c(C=O)c3ccc(OC(C)=O)cc3n21 13650956 UBWKLTUKVHEUGZ-SFHVURJKSA-N 419.477 5.259 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1cccc(Cl)c1)Oc1ccc(Cl)cc1-3 13777180 YTMMXBWUMWUPPN-XMMPIXPASA-N 422.355 7.750 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1cccc(C)c1)Oc1ccc(Cl)cc1-3 13777184 ZSTHFTOZNBONIT-RUZDIDTESA-N 401.937 7.405 0 1 HKAF C[C@H](N1CCCCC1)n1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21 14959539 PKKXBJRIYZNEPX-GOSISDBHSA-N 400.501 5.909 0 1 HKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C(=O)OC)C[C@H]21 26840992 ZVAXIHRCQMBWSY-PMACEKPBSA-N 414.586 6.404 0 1 HKAF OC1(c2ccccc2)CCN([C@H](c2ccccc2)c2cccc(C(F)(F)F)c2)CC1 28708189 CXKJTTFMVSISJF-HSZRJFAPSA-N 411.467 5.778 0 1 HKAF CCN(CC)CCCNc1nc(Nc2ccc(C(F)(F)F)cc2)c2ccccc2n1 28772131 DSMKNHRMZUWGRZ-UHFFFAOYSA-N 417.479 5.536 0 1 HKAF CC(C)Cn1cnc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccc(F)cc3F)nc21 29131633 FMSSGRLJPZBEPE-UHFFFAOYSA-N 409.484 5.720 0 1 HKAF C/C(=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O)CC/C=C(\C)[C@@H]1C[C@H](O)C(C)(C)O1 33986326 YHXSUSPTGLHIRR-UZFWGDPLSA-N 422.949 5.016 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 39204638 OQMZNAMGEHIHNN-CIFIHVIMSA-N 410.686 7.721 0 1 HKAF biogenic C[C@]12CC[C@@H]3[C@]45CCC[C@](C)(C(=O)OC4)[C@@H]5CC[C@@]3(C)[C@@H]1Cc1cc(O)ccc1O2 40401442 HFVKLEZASUROTL-VRRJBYJJSA-N 410.554 5.262 0 1 HKAF COc1ccc(Br)cc1[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 40428677 CRMXYFHXROCNSR-AWEZNQCLSA-N 418.234 5.262 0 1 HKAF OCCc1c(N2CCCCC2)nc2ccc(Cl)cc2c1-c1ccccc1Cl 66076783 DQOUTLIFSOQYGB-UHFFFAOYSA-N 401.337 5.734 0 1 HKAF Cc1ccc2cc(-c3n[nH]c4ccc(NC5CCC(c6ccccc6)CC5)cc34)[nH]c2c1 66077209 NWOMBJXKZSVGLP-UHFFFAOYSA-N 420.560 7.158 0 1 HKAF CCCC[C@H](Nc1nc(-c2ccccc2OC)cs1)C(=O)NCc1ccc(C)cc1 82195600 ZIXZXQRBEUDBCZ-FQEVSTJZSA-N 423.582 5.414 0 1 HKAF CC(C)(NC(=O)Nc1ccc(Cl)c(C(N)=O)c1)c1cccc(-c2ccccc2)c1 95578194 BOHKQKAYWFQSFN-UHFFFAOYSA-N 407.901 5.163 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C 95913933 SZCKXGWHINUNKB-WGYLBJSBSA-N 414.718 8.025 0 1 HKAF COc1cc(OC)c2c(c1)O[C@H](c1cccc(OC(=O)Nc3ccccc3)c1)CC2=O 98085464 BQNKMUZGKNECSV-FQEVSTJZSA-N 419.433 5.021 0 1 HKAF CC(C)(C)Cc1c(-c2ccc(Cl)cc2)sc(N)c1C(=O)c1ccc(Cl)cc1 103226661 CTESJWDQHZWDOA-UHFFFAOYSA-N 418.389 7.124 0 1 HKAF O[C@H](CNC1CCCCC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 142786045 XZOBRDKJYDMBGQ-OAHLLOKOSA-N 406.370 5.228 0 1 HKAF Cc1ccc(N(Cc2cccnc2)C(=O)c2sc3ccccc3c2Cl)c(C)c1 144762168 QTVYCJSZAWQHFT-UHFFFAOYSA-N 406.938 6.414 0 1 HKAF NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccc(F)c3-4)cc2)CCC1 169703856 WWHZFUWEJSHFEY-UHFFFAOYSA-N 411.480 5.711 0 1 HKAF O=C(C[C@@H](c1ccc(Br)cc1)c1c[nH]c2ccccc12)c1ccccc1 196298413 AYIHZYNRJWNLOY-FQEVSTJZSA-N 404.307 6.335 0 1 HKAF C[C@H]1C[C@@H]1c1cc(NC(=O)Nc2ccc(Br)cc2)n(-c2ccccc2)n1 204750278 QVWLWICBLLCJMQ-GUYCJALGSA-N 411.303 5.402 0 1 HKAF CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H]([C@H](C)[C@@H](O)CCC(C)C)[C@@]4(C)CC[C@@H]32)C1 255206963 DNOWADDTTWTLLY-OFKDTVFPSA-N 416.690 7.014 0 1 HKAF Cc1ccc(-n2cnnc2SCc2nc3ccc(Cl)c(C)c3[nH]2)cc1Cl 586966199 JEYCODKMCACWQB-UHFFFAOYSA-N 404.326 5.360 0 1 HKAF CCOc1cc(/C=C\c2nc3ccc(F)c(F)c3[nH]2)cc(Br)c1OC 586978103 LLUUARYNBNBRHP-DAXSKMNVSA-N 409.230 5.181 0 1 HKAF CC(C)(Oc1ccc(Br)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 586994929 BBXFZMKMYWWTBP-UHFFFAOYSA-N 401.091 5.341 0 1 HKAF Cc1c(Br)ccc2nc(-c3nc(Br)ccc3Cl)[nH]c12 587004939 FHBBUQDXQSVGTA-UHFFFAOYSA-N 401.489 5.112 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2c(Br)ccnc2[nH]1 587015189 ZVHDDKBJGJYSKB-UHFFFAOYSA-N 405.708 5.473 0 1 HKAF FC(F)(F)Oc1cc2nc(-c3csc4c3CCOC4)[nH]c2cc1Br 587031710 LKPHYKKXIKNSLQ-UHFFFAOYSA-N 419.222 5.025 0 1 HKAF N[C@H](Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccccc1Cl 587058793 ZJGIXAMJAHBXJF-LLVKDONJSA-N 418.644 5.240 0 1 HKAF Clc1cccc(COc2ccc(/C=C/c3nc4ccc5ncccc5c4[nH]3)cc2)c1 587068846 AODZWWPINKWLAZ-MDWZMJQESA-N 411.892 6.514 0 1 HKAF Clc1cccc(COc2ccc(/C=C/c3nc4cc5c(cc4[nH]3)OCCO5)cc2)c1 587069721 GRXWBODZADUAAP-RMKNXTFCSA-N 418.880 5.737 0 1 HKAF CC(=O)[C@@H](C/C=C\c1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106492 HRLOKDOEMUDIAV-RVPHRTOXSA-N 403.481 6.222 0 1 HKAF Fc1ccc(/C=C(\c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c2cccs2)cc1 587164727 VRIWXNDSENCCMT-JYRVWZFOSA-N 422.834 7.025 0 1 HKAF Fc1ccc(-c2cn3c(Cc4nc5cc(Cl)c(F)cc5[nH]4)csc3n2)cc1 587165993 KIVFOETZVVJCBV-UHFFFAOYSA-N 400.841 5.462 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCCc3ccc(F)cc32)[C@@H]1c1ccc(F)cc1 587329146 CJJMCVVGDJWSMC-ILBGXUMGSA-N 406.428 5.651 0 1 HKAF CC(C)[C@]1(Cc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330500 FSKIJELYXKWNAT-ZCYQVOJMSA-N 408.444 5.667 0 1 HKAF C[C@]1(CCOCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346998 KLUGYHRSGHIFIG-ILBGXUMGSA-N 406.453 5.256 0 1 HKAF Cc1ccc(C)c2c1OCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356065 HTZBNVSYFLGGTC-DHLKQENFSA-N 404.437 5.185 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3cccc(F)c3)c3ccccc13)O2 587386237 XAITWRDXSJXTIL-DEOSSOPVSA-N 400.453 5.426 0 1 HKAF COC(=O)c1ccc(-c2cccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)c(F)c1 587386737 WSKHAKGSORDITK-RUZDIDTESA-N 419.452 5.051 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1cccc(OC)c1)(c1ccccc1)CC2=O 587485109 ZHMFKMHTYYSKHH-AREMUKBSSA-N 402.490 5.457 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Sc3ccccc3)cc1)CC2=O 587493956 UWYAITYBYXCHLT-RUZDIDTESA-N 404.531 6.377 0 1 HKAF O=C(N[C@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1)OCc1ccccc1 587514985 ZGGBXSDULUXLRN-FNZWTVRRSA-N 419.521 5.138 0 1 HKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C(F)(F)F)c1 587551234 YVGHGLMDIYYZCO-RXVVDRJESA-N 400.352 5.422 0 1 HKAF COc1ccc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587598861 CAIHBLALEBOTFN-IGKIAQTJSA-N 424.452 5.771 0 1 HKAF CC(C)(C)[C@@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599966 JMDIAHRQQQAPQX-NVQXNPDNSA-N 402.490 5.772 0 1 HKAF CC(C)CCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602852 ZIFJPKBUSXQAJA-OZXSUGGESA-N 402.490 6.076 0 1 HKAF Cc1c(-c2ccc(Br)cc2C(F)(F)F)[nH]c2c(C)cc(Cl)cc12 587624271 ITGDYXQHCDLBGY-UHFFFAOYSA-N 402.641 6.886 0 1 HKAF CCc1ccc2c(Cl)c(C(=O)n3ncc4ccc(Cl)cc4c3=O)sc2c1 587653079 CFIAYOFYDNGONM-UHFFFAOYSA-N 403.290 5.169 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1 587694042 GBPRZKWLQBDUMI-APBUJDDRSA-N 420.713 5.255 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(F)c2)N1 587732364 MWNGLLHRXRGEED-RCDICMHDSA-N 414.293 5.553 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(F)cc2)N1 587734490 NTAPJVQLUSCBQC-MPBGBICISA-N 403.270 5.142 0 1 HKAF Nc1ccc(-c2ccc3nc(-c4cc(OCc5ccccc5)ccc4O)[nH]c3c2)cc1N 587782257 KUNKGRFIUVAEMI-UHFFFAOYSA-N 422.488 5.346 0 1 HKAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC(C)C 587792366 KLCPBMVXDJKGFH-ZSEKCTLFSA-N 422.338 5.255 0 1 HKAF CCCOc1ccc2[nH]cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587802825 NWSVCIRIIZFWTJ-GTJPDFRWSA-N 417.322 5.482 0 1 HKAF COc1ccc([C@@]2(C(C)(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587808424 NUPXEWVQBZMDKZ-YEJXKQKISA-N 406.339 5.421 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2cccs2)N1 587857098 ZPNIBWMIHHZZDM-YUNKPMOVSA-N 402.332 5.940 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCNc1ccccc1 587864299 JHIFSJMWNFFTEQ-UHFFFAOYSA-N 403.404 5.110 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2c(C)ccc(C)c2s1 587866339 AVULZRWPKGTOIX-UHFFFAOYSA-N 417.456 6.183 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 587868593 ORZPBTFJRXXCME-HUUCEWRRSA-N 421.806 5.070 0 1 HKAF O=C(Nc1cccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1)c1ccc(F)cc1 587874206 XFTZLKYZQPQRQL-UHFFFAOYSA-N 417.371 4.875 0 1 HKAF COc1cccc(C2(c3nc4cccc(I)c4[nH]3)CCCC2)c1 587933332 MIIYTWGJUMDVPH-UHFFFAOYSA-N 418.278 5.036 0 1 HKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2c(Br)cnc(Cl)c2[nH]1 587952139 YWMGPDDUSMISIY-JTQLQIEISA-N 402.679 5.667 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(C)cnc2[nH]1 587961080 RHMWFJYEDTZXLJ-XKPMTSFDSA-N 417.641 8.121 0 1 HKAF C[C@@H](c1ccccc1)c1ccc2c(n1)Nc1ccc(-n3cnc(Cl)c3)cc1NC2=O 653709006 HSPGPMSOFQXJKN-AWEZNQCLSA-N 415.884 5.382 0 1 HKAF c1ccc(N2N=C(c3ccc4c(c3)OCCO4)C[C@H]2c2cccc3ccccc23)cc1 653899349 DYEGFKOCCRLFCY-VWLOTQADSA-N 406.485 5.967 0 1 HKAF COc1ccc2c(c1)[C@@](c1ccccc1)([C@@](C)(O)c1ccccc1)N(C(C)C)CC2 962089291 HRZMELONAUPTDC-SVBPBHIXSA-N 401.550 5.113 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2coc3cc(Br)ccc3c2=O)N1 962947923 CTGRWQRTOVKBBO-ZSEKCTLFSA-N 423.310 5.051 0 1 HKAF CC[C@]1(c2ccccc2Br)c2ccsc2CCN1Cc1cccnc1 962993481 JAMJAMNZOZYCBJ-NRFANRHFSA-N 413.384 5.618 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cc(F)ccc1Oc1ccccc1 963053216 GXZLTKAGAVEGAD-VWLOTQADSA-N 400.453 5.410 0 1 HKAF CN1CCc2c(Br)cccc2[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C 963289655 QBDMIRYOKHQTDB-KRWDZBQOSA-N 411.384 5.014 0 1 HKAF c1ccc(COc2ccc3[nH]c4c(c3c2)CCN[C@H]4c2cccnc2-c2ccco2)cc1 963816470 BXJBSFCJWLEFPS-SANMLTNESA-N 421.500 5.637 0 1 HKAF O=C1Nc2c(Br)cccc2C1=C(c1ccccc1)c1nc2ccccc2[nH]1 1857624362 UBWOYAHTNNNZIM-UHFFFAOYSA-N 416.278 5.237 0 1 HKAF C[C@@]12CCC[C@H]1[C@@H]1CC=C3C[C@@H](OC(=O)CCCCC(=O)O)CC[C@]3(C)[C@H]1CC2 1857642344 VGXKMWPNJIWCNF-FYVXYBBASA-N 402.575 5.896 0 1 HKAF CC(C)=CCCC(C)=CCCc1c(O)cc2c(c1O)C(=O)C[C@H](c1ccc(O)cc1)O2 2356405036 DYDXQMQVVSSWFJ-HSZRJFAPSA-N 422.521 6.135 0 1 HKAF CC(=O)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@@H]3CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@]21C 2356416880 IRDLMDPZMBOLNU-TYWOVXAZSA-N 412.702 8.067 0 1 HKAF CC(C)[C@H](C)C=C[C@@H](CO)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356456859 SMZGUWPPJLUJON-UBORPQKESA-N 416.690 6.463 0 1 HKAF CC=C(C)[C@@H](CC=C(C)C)c1c(OC)cc(O)c2c1O[C@H](c1ccccc1)CC2=O 2356466479 HQQKQQPDXDECON-KNQAVFIVSA-N 406.522 6.513 0 1 HKAF COC(=O)c1[nH]cc2c1[C@]1(CN(C)c3ccc(C)cc31)c1[nH]c3ccc(Cl)cc3c1-2 2356575155 CRTBGKVHQDSSDQ-XMMPIXPASA-N 417.896 5.009 0 1 HKAF CC[C@H](CC=C(C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356641194 HZYXFRGVBOPPNZ-AXYOXNHISA-N 412.702 7.945 0 1 HKAF CCCCc1nc2ccccc2n1Cc1ccc(O[C@H](C(=O)O)c2ccccc2)cc1 1535371 RVGDQMKIRQYBTA-VWLOTQADSA-N 414.505 5.632 0 1 HKAF CC1CCC(NCc2ccc3c(c2)Cc2c(-c4ccc(C(=O)O)cc4)n[nH]c2-3)CC1 3821223 MEDLHZCDTXWLOC-UHFFFAOYSA-N 401.510 5.014 0 1 HKAF in-vitro CCCCNc1nc(C)nc2c1nc(-c1ccccc1)n2CCCCN(CC)CC 7991836 PDWJTSPUWUEWCZ-UHFFFAOYSA-N 408.594 5.136 0 1 HKAF O=C1c2c(O)cccc2Cc2ccc(Cc3cccc(Oc4ccccc4)c3)c(O)c21 13736909 YLXDTHXSTVGDOH-UHFFFAOYSA-N 408.453 5.616 0 1 HKAF O=C(Nc1ccc(Cl)c(Cl)c1)[C@@](O)(CSc1ccccc1)C(F)(F)F 28091919 BFTHVDZOQVUOJB-HNNXBMFYSA-N 410.244 5.018 0 1 HKAF O=C(CCc1ccc(CN2CCCCC2)cc1)Nc1ccc(-c2ccc(F)cc2)cc1 28649158 IGGFQXPWYQFABR-UHFFFAOYSA-N 416.540 6.050 0 1 HKAF FC(F)(F)c1cc(CO[C@H]2CCCO[C@H]2c2ccccc2)cc(C(F)(F)F)c1 28764966 KVHVYHNXKNBRLU-ROUUACIJSA-N 404.350 6.161 0 1 HKAF COc1c(CC=C(C)C)c(O)cc2c1[C@@H]1Oc3c(ccc(O)c3CC=C(C)C)[C@@H]1CO2 29042092 SHSISVOIQZYVQR-AFMDSPMNSA-N 422.521 5.734 0 1 HKAF biogenic,in-vitro CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)cc(-c3ccccc3)n2)cc1 38449029 ZUOHNZIRNKHHJE-UHFFFAOYSA-N 416.510 5.028 0 1 HKAF CCC(CC)(NC(=O)c1cnn2c1N[C@@H](c1ccccc1)CC2(C)C)c1ccccc1 66113920 SOZDXLZQYICFHX-JOCHJYFZSA-N 416.569 5.620 0 1 HKAF Cc1cc(NC(=O)N2CCC3(CC2)CC(c2cccc(OC(F)(F)F)c2)C3)on1 73196412 USLOBLMKUUZBPL-UHFFFAOYSA-N 409.408 5.073 0 1 HKAF O=C(c1cc2ccccc2[nH]1)c1cc2c(Nc3cccc(Cl)c3)ncnc2s1 73197994 YGSAZOCXJDIJLN-UHFFFAOYSA-N 404.882 5.801 0 1 HKAF CCOP(=O)(OCC)[C@H](Cc1cccc(F)c1)c1sc2ccccc2c1C 84618909 VVBDGFHNEGXLJP-LJQANCHMSA-N 406.459 6.899 0 1 HKAF O[C@H](CSCCCc1ccccc1)CN(Cc1ccccc1)Cc1ccccc1 84687206 QGARFVLVTMRRHJ-SANMLTNESA-N 405.607 5.416 0 1 HKAF O[C@@H](CSc1ccc2ccccc2c1)[C@H](O)Cn1c2ccccc2c2ccccc21 84690382 RIYSVVFJTIFQHK-FTJBHMTQSA-N 413.542 5.462 0 1 HKAF C1=C(c2ccc3ccccc3c2)C[C@H]2CC[C@H]1N2CCOc1cccc2ncccc12 101019821 CNRWYKRQNMMFHH-JWQCQUIFSA-N 406.529 6.087 0 1 HKAF CCOC(=O)[C@@]12C[C@@]1(c1ccc(-c3ccccc3)cc1)c1cc(Cl)ccc1NC2=O 101394869 ICNIQJRZECJZDR-RPBOFIJWSA-N 417.892 5.198 0 1 HKAF Cc1cc(-c2ccc(/C=C3\CCCN([C@@H](C)c4ccc(F)cc4)C3=O)cc2)ccn1 103290232 MTHLZTMGTRYIEF-QUESDIRFSA-N 400.497 5.963 0 1 HKAF CCCCN(c1sc2ccccc2c1Cl)S(=O)(=O)c1ccc(N(C)C)cc1 115232551 HLOKUKSCUZRSPV-UHFFFAOYSA-N 423.003 5.616 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)CCCCSc1nc2ccccc2o1 144528277 QYFKHSBPTFFSMF-UHFFFAOYSA-N 410.583 6.976 0 1 HKAF Cc1c(F)cc(-c2cccc(F)c2)cc1CNc1c(F)ccc(OCC(=O)O)c1C 218851954 RKOPHEZCWLXCOK-UHFFFAOYSA-N 415.411 5.463 0 1 HKAF Nc1cnc(-c2ccc(C3CCC3)c(OCc3nc4ccccc4s3)c2F)cn1 224583098 ADESEKUSNJPXLA-UHFFFAOYSA-N 406.486 5.321 0 1 HKAF C[C@@H]1CN(CCc2ccccc2)CC[C@H]1N(C(=O)c1ccco1)c1ccccc1Cl 253687796 AUFUBWNAAOCRHM-DENIHFKCSA-N 422.956 5.533 0 1 HKAF Cc1cc(-c2cccnc2O[C@H]2CC[C@H](Nc3nc4ccccc4s3)CC2)ccn1 254134075 KCLSMKDCWUEFET-WGSAOQKQSA-N 416.550 5.864 0 1 HKAF CC(C)[C@@H](C)/C=C\[C@H](C)[C@H]1CC[C@@H]2C3=C([C@H](O)C[C@@]21C)[C@@]1(C)CC[C@@H](O)CC1=CC3 255262498 RJWIGXOAUROSSK-QFCMHPIBSA-N 412.658 6.446 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 257785082 ZNGXDHQRMXNICE-ZQYQDRKPSA-N 402.707 7.859 0 1 HKAF endogenous,in-man CO[C@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]3CC[C@@H]2N(C)CCCC(C)C)C1 299850474 SUURJOMPZAFTED-PBWXFAOTSA-N 403.695 6.781 0 1 HKAF Oc1ccc(-c2nc(-c3ccc(Sc4ccc(C(F)(F)F)cc4)cc3)no2)cc1 473155316 RPJJPIBWTVYLGD-UHFFFAOYSA-N 414.408 6.279 0 1 HKAF C=Cc1ccc(-c2nc3cc(S(=O)(=O)Nc4ccccc4Cl)ccc3[nH]2)cc1 586880817 HLTGQGBDDHYGIJ-UHFFFAOYSA-N 409.898 5.327 0 1 HKAF Oc1cccc(CCCCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 586895835 BIKSVMFORNBOGO-UHFFFAOYSA-N 413.237 5.615 0 1 HKAF Oc1ccc(C2(c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)CC2)cc1 586896618 VMZHFADUWREWBN-UHFFFAOYSA-N 413.193 5.010 0 1 HKAF Oc1c(-c2nc3cc(Br)c(Br)cc3[nH]2)ccc2c1CCCC2 586897432 FDNRYYSVEDBUGU-UHFFFAOYSA-N 422.120 5.339 0 1 HKAF CCCCC[C@H](C(=O)OCC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989820 RBBGTGXJAXDKFL-KRWDZBQOSA-N 403.478 5.379 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 587008511 XMSKPXMTIRVEFK-UHFFFAOYSA-N 417.266 5.100 0 1 HKAF O=C(O)c1cc(F)cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c12 587015305 LAPUKTZCULRJST-UHFFFAOYSA-N 408.241 5.498 0 1 HKAF Cc1cncc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c12 587019373 YNKZRDGEFOJUMV-UHFFFAOYSA-N 403.338 6.023 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Cl)cnc2[nH]1)c1cccc(Cl)c1 587071401 MACGWPWFCZLNFE-AWEZNQCLSA-N 407.301 5.073 0 1 HKAF COc1cc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1OC 587072520 RJTPVMDLAFKAQI-WXJAZLCTSA-N 417.336 6.253 0 1 HKAF CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cnccc2[nH]1 587074292 WHDLQNCXIWXWNQ-QFIPXVFZSA-N 412.921 5.080 0 1 HKAF Clc1ccc(C2=C[C@H](c3nc4ccc(Sc5ccccc5)cc4[nH]3)ON2)cc1 587076973 PYIUOAJUQMAFBW-OAQYLSRUSA-N 405.910 5.985 0 1 HKAF Cc1ccc2c3c(c4c(nc13)C[C@H]4C(=O)OCc1ccccc1)-c1ccccc1C2=O 587098821 UZAUJVMWZXTMJR-HXUWFJFHSA-N 405.453 5.138 0 1 HKAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c(F)c2)c1 587138677 PSWMCPRVQLLYOX-UHFFFAOYSA-N 419.309 5.287 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(OC(C)C)cc4[nH]3)c(F)c2)c1 587147380 OYYIPQDNOHMMPY-UHFFFAOYSA-N 420.440 5.530 0 1 HKAF COc1ccccc1Nc1ccccc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587241176 WVPGFDAJUURJEN-UHFFFAOYSA-N 421.500 6.561 0 1 HKAF N[C@@H](Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1cccc2ccccc12 587258454 KKCDGKSUEMEVKU-FQEVSTJZSA-N 420.541 6.235 0 1 HKAF CO[C@H](C)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587346517 JETAWSAONKBNPV-AWKKRCEGSA-N 406.453 5.513 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(F)c(OC)cc2C3)c1 587360277 NPPHGGQTFCJOCQ-UHFFFAOYSA-N 411.432 6.376 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(CN4CCC(C)CC4)c(C)cc1C)[C@@H](C2)C3=O 587439918 XOYSPJCTJJLSKX-BKMJKUGQSA-N 405.538 5.033 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccccc3)cc1O)CC2=O 587482371 SVSZXIPJMDTIQV-DEOSSOPVSA-N 404.462 5.336 0 1 HKAF O=C1C[C@H](c2cc(F)ccc2Oc2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587500221 AFBNGMKIPSFGHR-XMMPIXPASA-N 406.428 6.342 0 1 HKAF COc1cccc(COc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c1 587527935 ZTIDEPQTNLZFMV-AREMUKBSSA-N 414.501 5.860 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCOc1ccc(Cl)cc12 587553166 UDFSHJHMIVIZIF-REWPJTCUSA-N 408.837 5.075 0 1 HKAF C[C@]1(c2ccccc2OC(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557965 UHPORPKJESHXKJ-GHTZIAJQSA-N 416.351 5.168 0 1 HKAF COc1ccc(Cl)cc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(C)C 587621401 DMHDNRIRDVRKJF-UHFFFAOYSA-N 418.722 6.259 0 1 HKAF O=C(O)c1cccc2c([C@@H](C(=O)O)c3cccc(Cl)c3)c(-c3ccccc3)[nH]c12 587639066 SZZPVJJXPZBBLQ-SFHVURJKSA-N 405.837 5.403 0 1 HKAF Cc1nc(C(F)(F)F)ccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587710085 BOSNKTWJKIKIPU-HUTHGQBESA-N 417.244 5.108 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)cccc2C(F)(F)F)N1 587714665 WLJAWMVUXPBBJY-XLFHBGCDSA-N 420.219 5.544 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(F)ccc(Cl)c2F)N1 587722361 YGVPHZPTMMTVAD-WNWIJWBNSA-N 404.657 5.318 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccc(F)cc2)N1 587737319 XABMQFIIOKVTKA-XMHCIUCPSA-N 414.293 6.018 0 1 HKAF CCn1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587753213 AIHPSZRWPKJNDA-LRTDBIEQSA-N 401.323 5.361 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(Cc3ccccc3)CC2)N1 587766912 OWRXRQXBEBRSMB-ZHRRBRCNSA-N 417.366 5.004 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccn2)(C2CCCCC2)N1 587770044 HVABDMCDSUPTJT-QKKBWIMNSA-N 403.339 5.341 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H](c3ccccc3)C2)N1 587819690 WRKNRPHKZFREKZ-JLDZCNIISA-N 402.351 6.066 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3cc(O)ccc3c2)N1 587832874 KZHQXJAMEIKFOF-LAJNKCICSA-N 400.291 5.245 0 1 HKAF Cc1ccccc1C1([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CCOCC1 587836189 SOQYTMLVFULUAB-BTYIYWSLSA-N 418.350 5.220 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(CN3CCCCC3)cs2)N1 587850266 YETYMXHFFHAZQP-RNODOKPDSA-N 423.395 5.259 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2-c2ccsc2)N1 587852540 HBNOPXBUAYFOOT-WLRWDXFRSA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc2ccccc2n1 587858364 GOXNNQYKJZRJQJ-UHFFFAOYSA-N 412.276 5.492 0 1 HKAF CCCOc1ccc(-c2cccc(-c3noc(Cc4c[nH]c5ccccc45)n3)n2)cc1 653687048 AAWBMDOJDQKGGQ-UHFFFAOYSA-N 410.477 5.660 0 1 HKAF Cc1ccncc1[C@@]1(c2cc(Cl)ccc2Cl)NCCc2ccc(F)c(C)c21 962095959 YPYZBQUJGWWUKT-JOCHJYFZSA-N 401.312 5.582 0 1 HKAF COc1ccc(Cl)cc1[C@@]1(CC(C)C)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962634339 UALSARHKVUGIIS-GYCJOSAFSA-N 417.977 5.532 0 1 HKAF Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2NCCc3cc(-c4ccccc4)ccc32)cc1 962668337 NKMACKPNVFSIPA-SSEXGKCCSA-N 414.552 7.045 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(F)cc2)(c2ccc(Cl)nc2)N1 962947540 BXGUPCIVSZWYJC-HOYKHHGWSA-N 405.904 5.572 0 1 HKAF Cc1cccc([C@@]2(c3cnccc3C)c3ccsc3CCN2Cc2cccnc2)c1 962996251 OJXOELPJESGJPM-SANMLTNESA-N 411.574 5.505 0 1 HKAF COc1ccc([C@@]2(CCCCCC(=O)O)c3c(F)cccc3C[C@H]3CCCN32)cc1 963100629 BXMALHHMULQWOF-NLFFAJNJSA-N 411.517 5.134 0 1 HKAF Cc1c(C)c2ccc(O[C@H](C)[C@@]3(C)c4c(F)cccc4C[C@H]4CCCN43)cc2oc1=O 963101052 LGNQNWQPYRUDET-AZZGJVAJSA-N 421.512 5.252 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCc1cc(F)cc(Cl)c1)c1ccccc1 963222614 BOJFKTMTLOOUON-HRFSGMKKSA-N 421.987 7.012 0 1 HKAF c1ccc(CNc2ncnc3c2[C@@H](c2ccccc2)c2ccc4ccccc4c2O3)cc1 1772613570 XXINSELBQWBFMU-DEOSSOPVSA-N 415.496 6.528 0 1 HKAF CC(C)(C)c1nc(Nc2ccc(F)c(Cl)c2)sc1Cc1ccc2c(c1)OCO2 1772614405 WOEROFXIYWNOOC-UHFFFAOYSA-N 418.921 6.296 0 1 HKAF Cc1ccc(Cn2cc(C3=C(Cl)c4ccc(-c5cccs5)nc4CC3)nn2)cc1 1857576293 DCGARLYFMHFGLP-UHFFFAOYSA-N 418.953 5.812 0 1 HKAF CC=C(C)C(=O)OCC1=CCC[C@@H]2[C@]1(C(=O)O)CC[C@H](C)[C@@]2(C)CCc1ccoc1 2356374718 CZUZNUPRGZSCJO-CKBKHPSWSA-N 414.542 5.565 0 1 HKAF COC(=O)c1c(O)cc(OC)cc1CCCCCCCCCCCCC[C@H](C)O 2356409756 RHDMQXOOPXCMPH-IBGZPJMESA-N 408.579 5.792 0 1 HKAF CC=C(C)[C@H](O)[C@H](C)C=C(C)C=CC[C@H](C)C=Cc1oc(OC)c(CC)c(=O)c1C 2356417949 RZWLIPXWCCRKLN-IQOKHDRSSA-N 414.586 6.024 0 1 HKAF C[C@@H](CO)CC[C@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356543815 YDFJGPFMKWECQA-YWOGCTJGSA-N 418.662 5.332 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC=C[C@@H]2CC=C3C[C@H](O)CC[C@]3(C)[C@H]2CC[C@H]1C)C(C)C 2356628214 KWSDAMSVPQVEBE-ZJHCWKPOSA-N 414.718 8.191 0 1 HKAF CC(C=C[C@H](C)C(C)C)=C1[C@H](O)CC2=C3C=C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356794618 LHISSQSEJOQIGC-LEBLUBLPSA-N 410.642 6.366 0 1 HKAF C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]34C[C@]3(CC[C@@H]3[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]34C)[C@H]12 2356864524 VVSOUTKITCBWGW-LCHGJPLBSA-N 424.713 8.067 0 1 HKAF COc1ccc(CNC(=O)c2ccc(-c3ccc(F)c(F)c3)c3ccoc23)cc1OC 61908013 YXUMRKTYFDADRW-UHFFFAOYSA-N 423.415 5.325 0 3 HKAF Cc1nc2c(OCCC3CCCCC3)cccn2c1N(C)C(=O)CCC1CCCC1 61927317 GPBQFCSUPSXQAM-UHFFFAOYSA-N 411.590 5.925 0 3 HKAF O=C(NCc1ccccc1)Nc1ccccc1CN1CCC(Cc2ccccc2)CC1 13475738 WBKAFJHGIOLOIL-UHFFFAOYSA-N 413.565 5.463 0 1 HKAF NC(=O)c1ccc2[nH]c(-c3ccc4nc(-c5cccc6ccccc56)[nH]c4c3)nc2c1 13652032 QZTRLFFCNFCQLY-UHFFFAOYSA-N 403.445 5.025 0 1 HKAF CC(C)c1cc(C(C)(C)C)cc(-c2ccc(F)cc2)c1OC[C@@H]1C[C@@H](O)CC(=O)O1 26750850 CGGPCFNVLQHVMI-UXHICEINSA-N 414.517 5.359 0 1 HKAF CC[C@@H](C)CNC(=O)c1cncc(-c2ccc(CNCCCc3ccccc3)cc2)c1 45196023 XLOXZFKFWNUZJA-OAQYLSRUSA-N 415.581 5.247 0 1 HKAF Cc1cc(N)c2cc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2n1 45196369 FDGUCXZUIULYPM-UHFFFAOYSA-N 413.321 5.415 0 1 HKAF COc1ccccc1Nc1nc(C)cc(NCc2ccc(-c3c(C)noc3C)cc2)n1 45201216 KGLKUIZWKZXYRI-UHFFFAOYSA-N 415.497 5.421 0 1 HKAF COc1cccc(Nc2c(C(N)=O)cnc3ccc(Sc4ccccc4)cc23)c1 45284918 NFFVXZCZXFZLTD-UHFFFAOYSA-N 401.491 5.237 0 1 HKAF O=C(c1ccccc1F)N1CC[C@@H]2C[C@H]1c1cc(-c3ccc4c(c3)OCO4)ccc12 72138160 OBLBPUMQXLQMDZ-VGSWGCGISA-N 401.437 5.296 0 1 HKAF Cc1ccccc1N1C(=O)[C@H](c2ccccc2Cl)C[C@H](c2ccccc2Cl)C1=O 73197171 OLNNMLWGFADCFB-KDURUIRLSA-N 424.327 6.133 0 1 HKAF CCc1cnc(-c2cnc(NCCc3ccccc3OC)nc2-c2ccccc2)s1 82163349 BZXUQWSEJAZRRM-UHFFFAOYSA-N 416.550 5.493 0 1 HKAF CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(F)cc2)n1 82164864 JUAPREYNGUAAIS-OAHLLOKOSA-N 404.514 6.284 0 1 HKAF CCOc1cc(C(=O)OCc2ccc(-c3ccccc3)o2)cc(OCC)c1OCC 84712640 NKFRGDCNEUGSCS-UHFFFAOYSA-N 410.466 5.500 0 1 HKAF CC/C(=C(\c1ccc(O)cc1)c1ccc(NC(=O)N(C)C)cc1)c1ccc(O)cc1 96907942 LVTWNSIMQDNKLU-WCWDXBQESA-N 402.494 5.560 0 1 HKAF Cc1ccc2c(c1)C(NC1C[C@@H]3CC[C@@H](C1)N3Cc1ccccc1)=Nc1cccnc1N2 100928997 LIBNJNRMHRQQCZ-VXKWHMMOSA-N 423.564 5.311 0 1 HKAF Cc1ccc(S(=O)(=O)N[C@H]2CCCCCCCCCCC(=O)O[C@H](C)CC2)cc1 103205097 IFXIUHSCMJJJJI-RTWAWAEBSA-N 423.619 5.268 0 1 HKAF Cc1ccc2cc([C@H]3CC(c4sccc4Br)=NN3)c(Cl)nc2c1 103212295 AOXDONUXMVFEDM-CQSZACIVSA-N 406.736 5.459 0 1 HKAF CCCNC(=O)c1sc(Oc2ccc3c(c2)CC[C@H](c2ccccc2C)O3)nc1C 145467628 OAAABMZYTZSDAL-OAQYLSRUSA-N 422.550 5.758 0 1 HKAF O=C1CCCC[C@@]12[C@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 169342278 OYVPINFOQJXIJW-CZJMETBBSA-N 422.528 5.092 0 1 HKAF COc1cccc(N2C(=O)[C@@H]3C[C@@H](CC(C)(C)C)c4c([nH]c5ccccc45)[C@@H]3C2=O)c1 195476256 QRWXHCBPNZPYER-VQPPSCEASA-N 416.521 5.373 0 1 HKAF N#Cc1ccc(Cc2cccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)c2)cc1 216052043 LDXXVLOMAJTMCS-UHFFFAOYSA-N 413.908 5.256 0 1 HKAF C[C@@H]1[C@@H]2C3=CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]4(C)[C@]3(C)CC[C@]2(C)CC[C@H]1C 238742978 DIFWJJFSELKWGA-NQECBLAQSA-N 424.713 8.233 0 1 HKAF CC[C@H](C)NC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc(C)c1 299887979 ZSCPAAWATBNPFJ-DCUZGVIYSA-N 420.601 5.463 0 1 HKAF COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(N)cc(F)cc12 473110923 XUTOMVGDKDXBCI-UHFFFAOYSA-N 407.464 5.336 0 1 HKAF CC[C@]1(C)C[C@@H]1c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 586890934 PXYJBCWHVZNPML-JLTOFOAXSA-N 405.395 5.877 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2cnc3ccccc3c2[nH]1 586981216 FPTDDJANUBGQEM-UHFFFAOYSA-N 424.342 6.500 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(-c5ccccc5Cl)o4)nc13)-c1ccccc1C2=O 586991914 BKRKENRPNZNWSE-UHFFFAOYSA-N 421.883 7.335 0 1 HKAF c1ccc(Sc2ccc3[nH]c(-c4c(-n5cccc5)sc5c4CCC5)nc3c2)cc1 587033434 VDXUFLGDHMSSJR-UHFFFAOYSA-N 413.571 6.722 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2)c1 587048993 FZVYCWHNTCGAQJ-UHFFFAOYSA-N 416.786 6.261 0 1 HKAF COc1cc2[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc2cc1Cl 587063659 RSUNLBFJBOXXBG-UHFFFAOYSA-N 404.253 5.421 0 1 HKAF Fc1cc2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2cc1-n1cccn1 587065303 XPHILVOOVVSGKP-UHFFFAOYSA-N 408.820 5.380 0 1 HKAF Cc1cc(Cl)ccc1OCCCc1nc2ccc(Sc3ccccc3)cc2[nH]1 587066825 SBDZRURSNACGMS-UHFFFAOYSA-N 408.954 6.688 0 1 HKAF CCCCOc1cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1Br 587081168 UCTXCUFPJNTMRT-GOSISDBHSA-N 421.722 5.834 0 1 HKAF COc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1OC[C@@H]1CO1 587100985 JGOGJNBOARIKHJ-KRWDZBQOSA-N 423.468 5.208 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(Br)ncc3F)nc3cccc1c23 587102968 BYRFDIAIAFUPHG-UHFFFAOYSA-N 405.226 5.410 0 1 HKAF Cc1ccc2c(ccc3nc(CCn4nc(C(F)(F)F)c(Cl)c4C4CC4)[nH]c32)n1 587117722 WBGRERDRNAVXGL-UHFFFAOYSA-N 419.838 5.408 0 1 HKAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)n1 587118221 JYWSBJPSQHMQPR-UHFFFAOYSA-N 412.415 5.283 0 1 HKAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4ccc5c(c4[nH]3)CCCC5)c(F)c2)c1 587138388 GXZDPYOADFWUBM-UHFFFAOYSA-N 404.416 5.752 0 1 HKAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1 587166911 DLDCPLJELLKPDK-MRXNPFEDSA-N 424.423 5.683 0 1 HKAF Cc1c(Br)ccc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c12 587247761 SKINMRUBRCIRAV-UHFFFAOYSA-N 422.326 6.049 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3[nH]c4ccccc4c32)[C@@H]1c1ccc(F)cc1 587345652 JGEHGHKZAVJRRV-BVAGGSTKSA-N 413.448 5.603 0 1 HKAF CCCCOC(=O)CCc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587362067 CYGQIHHSLQEOHF-UHFFFAOYSA-N 403.478 5.933 0 1 HKAF COc1cccc(-c2cc(-c3ccc(-n4cncn4)cc3)nc3c2oc2ccccc23)c1 587363454 NTOORSXJGNLXAD-UHFFFAOYSA-N 418.456 5.904 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](CCc1cccc(Br)c1C)CC2=O 587456477 PEMXLCJEGQEEDW-HNNXBMFYSA-N 403.316 5.382 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCCCC(=O)OC)(c1ccc(F)cc1)CC2=O 587466236 JRZNXGAASDGKPB-XMMPIXPASA-N 414.473 5.078 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)c(OCc3ccccc3)c1)CC2=O 587467963 VGMJDRWPOQPCID-HSZRJFAPSA-N 406.453 5.769 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(OC(F)F)c(OC)c1)CC2=O 587468001 VYDSHODREBHDDU-INIZCTEOSA-N 412.816 5.315 0 1 HKAF Cc1cc(N2CCCC2)c(F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554861 FMTMMIUCYJFHNL-WIOPSUGQSA-N 419.452 5.143 0 1 HKAF COc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587598076 ALNDSBBUFVVWQQ-SQHAQQRYSA-N 424.452 5.306 0 1 HKAF C[C@H](Cc1ccc(C(C)(C)C)cc1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600722 CBAKDZRHOARKSG-NPTLNSMLSA-N 416.517 5.899 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCCS2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619919 VSVKKUKXYXWNIC-XUZZJYLKSA-N 420.486 5.144 0 1 HKAF Fc1cccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2cccc(F)c2)c1 587623133 ZFMGWLMAXOCRMX-UHFFFAOYSA-N 424.248 6.419 0 1 HKAF Fc1ccc2[nH]c(-c3ccc(Br)cc3)c(N3CCOCC3)c2c1Cl 587628096 IDDRMKHQJJLNJK-UHFFFAOYSA-N 409.686 5.227 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)ccc2F)N1 587711010 IOJPLHCJKUZUBC-BCTVWOGZSA-N 406.192 5.370 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1C(F)(F)F 587714673 WNOTYEGTAWLLDR-DYZYQPBXSA-N 402.229 5.539 0 1 HKAF Cc1ccc(OC(F)F)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587720370 STUUMAJANCAMHU-BMLIUANNSA-N 400.238 5.122 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(F)cc2Cl)N1 587726796 KVHWQLAMPNCRIJ-MGNBDDOMSA-N 400.694 5.373 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccc(F)cc3)on2)N1 587730959 GEZWYMYRSCXVQF-OVWNDWIMSA-N 405.242 5.006 0 1 HKAF CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(C)C 587790673 HGORUSOCLGFBFT-ASSNKEHSSA-N 422.338 5.398 0 1 HKAF CCCCCOc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587795132 QSXXBNCXTISSPR-NYHFZMIOSA-N 420.366 5.955 0 1 HKAF CCOc1ccc2[nH]cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587807385 WZUCJXPBRNTUFA-BIBXISHDSA-N 403.295 5.092 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc3ccccc3o2)(C2CC2)N1 587833121 MAEHLFHNWMYWME-LAJNKCICSA-N 400.291 5.522 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(O)c3)cc2)N1 587833695 OWTPZTSXLFARHW-XMHCIUCPSA-N 412.302 5.584 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)s2)N1 587847562 LHMUHSXXYGLBMK-UOWDBTKRSA-N 405.130 5.036 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cc3ccccc3)s2)N1 587849406 UFORVCULLVHGNO-ASSNKEHSSA-N 416.359 5.864 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3nccc(Cl)c3s2)N1 587857064 KAUNGEWNXWECEG-BCTVWOGZSA-N 411.727 5.475 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](CC)c1ccccc1 587858513 IIISQHSZNJIANL-INIZCTEOSA-N 403.309 6.090 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2cc(C)c(C)cc2s1 587866836 KPTXADAIXMKZQZ-UHFFFAOYSA-N 417.456 6.183 0 1 HKAF O=C(COc1ccccc1Cc1ccccc1)n1nc2cc1Oc1ccc(F)cc1-2 587873979 QWPGPOWKRMWEGB-UHFFFAOYSA-N 400.409 5.105 0 1 HKAF COc1ccc(/C=C/Cc2nc3cc(Cl)cc(Br)c3[nH]2)c(OC)c1 587929625 OCJMARJKUGZTGF-ONEGZZNKSA-N 407.695 5.252 0 1 HKAF CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(O)cc2[nH]1 587957642 OFJHXDSTSZRURY-UHFFFAOYSA-N 414.678 8.709 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cnccc2[nH]1 587958148 BBLUNHGHNQULCZ-RCHUDCCISA-N 403.614 7.812 0 1 HKAF O=C(CCCCN1CCC(c2ccccc2)CC1)n1c2ccccc2c2ccccc21 653687449 KADMMYHPKAZFGP-UHFFFAOYSA-N 410.561 6.485 0 1 HKAF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@@H](OC)c1cccc(Br)c1 653739034 MWSGOEDDFUJDCJ-SFHVURJKSA-N 422.706 5.496 0 1 HKAF CC(C)(C)OC(=O)N1CCC(F)([C@H]2NCCc3cc(-c4ccccc4)ccc32)CC1 962672248 WFFPZKJXHUCQJQ-QFIPXVFZSA-N 410.533 5.280 0 1 HKAF Clc1cc(Cl)c2c(c1)C1(NCC2)C(Cl)(Cl)CCCC1(Cl)Cl 963109602 MIVPNJCWMNQUPJ-UHFFFAOYSA-N 407.983 5.866 0 1 HKAF NCCCSc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccccc3)c2)[nH]1 1772580577 PUWGDNPKCVGFJN-UHFFFAOYSA-N 419.529 5.462 0 1 HKAF CC[C@@H](OC)c1cc(Cl)c2c(c1Cl)C(=O)N(Cc1c(C)cc(C)nc1O)CC2 1772625539 WAXGOKRGWNLIQS-QGZVFWFLSA-N 423.340 5.007 0 1 HKAF Cc1ccc2c(c1)N(Cc1ccccc1)C[C@@H](C)N(C(=O)Nc1cccnc1)[C@H]2C 1772654550 SHBCBFDPLIFTBC-UXHICEINSA-N 400.526 5.394 0 1 HKAF CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCC(=O)OC(C)C)c(C)c1 1857550337 LUXBYALRYCXAJI-UHFFFAOYSA-N 412.570 6.226 0 1 HKAF CC(=Cc1cc(CCC[C@@H](C)Cc2cc(CCCc3ccoc3)co2)co1)C(=O)O 2356350604 GJHLDIQOIDVSCS-GOSISDBHSA-N 410.510 6.330 0 1 HKAF COC(=O)c1c(CCCCCCCCCCCCC[C@@H](C)O)cc(OC)cc1OC 2356370904 FAHWXDWTXFCGHC-HXUWFJFHSA-N 422.606 6.095 0 1 HKAF CC1(C)[C@@H](O)CC[C@]23C[C@@]24CC[C@]2(C)[C@@H]([C@@H]5COC(=O)C5)CC[C@@]2(C)[C@@H]4CC[C@@H]13 2356497604 SPPZJSWPWQTMPS-XRHALSEZSA-N 400.603 5.350 0 1 HKAF C[C@@H]1CC[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)NC1 2356528205 UUCQCKZTFQEWEI-SJJSAGPJSA-N 415.662 5.209 0 1 HKAF C[C@H]1C[C@@H](C)CO[C@@]12C[C@@H]1[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]13C)O2 2356540245 REGABMXOVFDEIY-JNWJCBOSSA-N 416.646 5.794 0 1 HKAF COC(=O)c1c(-c2ccsc2)oc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc12 12476758 OCKCQVOQAHVZBQ-UHFFFAOYSA-N 424.474 5.641 0 3 HKAF CCC[C@H](C)c1oc(=O)c(Cc2c(O)c(C)c([C@H](C)CCC)oc2=O)c(O)c1C 198656591 ZHBMRQNOQDAERK-BETUJISGSA-N 404.503 5.019 0 3 HKAF C[C@H]1[C@@H]2[C@H](C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)O[C@@]12CC[C@@H](C)CO2 263590869 WQLVFSAGQJTQCK-BHUNQXTRSA-N 414.630 5.714 0 3 HKAF CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 1671999 AEOWFQHMVVCALP-VWLOTQADSA-N 410.989 6.491 0 1 HKAF CC(C)=CCC/C(C)=C/CC[C@]1(C)OC(=O)[C@@H](C(=O)c2ccc(O)cc2O)[C@@H]1C 13481723 PUFZTKZBPIVBQR-IGBZVALYSA-N 400.515 5.321 0 1 HKAF O=C(NCc1ccccc1)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1 13493827 FFUQRRQSSKZPKX-UHFFFAOYSA-N 414.292 5.567 0 1 HKAF COc1ccc([C@H]2C(Cl)(Cl)[C@]2(c2ccc(O)cc2)c2ccc(OC)cc2)cc1 13649384 BDHBUIDQXHCOFL-FGZHOGPDSA-N 415.316 5.667 0 1 HKAF CCCCCN[C@@H](CNC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 13737252 ZIUYGBIASUXFLQ-DEOSSOPVSA-N 409.618 6.576 0 1 HKAF CN(CCOC(c1ccccc1)c1ccccc1)CCN(C)CCc1ccc(F)cc1 22939383 NVIYCTHUJATAOR-UHFFFAOYSA-N 420.572 5.038 0 1 HKAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)OC3[C@@H](C)CCC[C@@H]3C)CN(C)[C@H]1C2 27519437 WRVDEIUJUYJDJD-LYCPRNASSA-N 422.613 5.550 0 1 HKAF Cc1cnc([C@@H](CO)Cc2cccc3ccccc23)cc1OCCOc1ccccc1 27564401 XGROPVKNGSUIMH-HSZRJFAPSA-N 413.517 5.320 0 1 HKAF C=Cc1cc(NC(=O)C(=O)OCC)cc(C=C)c1Oc1ccc2[nH]cc(C(C)C)c2c1 28350486 DNHABSCBUVENIS-UHFFFAOYSA-N 418.493 5.871 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)CC(C)C 36330316 AQRXJJFSRWORMJ-ZCCSIIRNSA-N 424.411 5.658 0 1 HKAF CC1=C(c2nc3ccc(C)cc3n2C)[C@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 45260495 OPGHUVJACOLPFD-NRFANRHFSA-N 424.335 5.831 0 1 HKAF O=C(Nc1ccc(OC2CCN(Cc3ccc(F)cc3)CC2)cc1)c1cccs1 45303090 KHEYIFQASOVTHR-UHFFFAOYSA-N 410.514 5.183 0 1 HKAF O=C(Nc1ccccc1)Nc1cccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)c1 45323356 AVYFZTPVPMENHD-UHFFFAOYSA-N 422.463 6.680 0 1 HKAF CCC(CC)c1nc2c(NCc3ccc(C)cc3)ncnc2n1CCN1CCCCC1 82179376 IGBWCJPOXXKZQH-UHFFFAOYSA-N 420.605 5.136 0 1 HKAF CC[C@H](C)Nc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2cccc(C)c2)n1 82216861 ZFEGCVYKMSSWFH-FQEVSTJZSA-N 416.569 5.713 0 1 HKAF O=C1C[C@@H](c2ccccc2)Sc2ccccc2N1Cc1ccccc1Br 95585916 XBSXCPOBIZYWGY-NRFANRHFSA-N 424.363 6.219 0 1 HKAF COc1ccc(-c2scc3c2C(=O)OC32CCN(Cc3ccccc3)CC2)cc1 95604686 XAKZBLSHKOGQSX-UHFFFAOYSA-N 405.519 5.085 0 1 HKAF Oc1ccc([C@H]2N=C(N3N=C(c4ccccc4)C[C@@H]3c3c(F)cccc3F)S2)cc1 98082630 AJXXHHMPMWUKID-IRLDBZIGSA-N 421.472 5.623 0 1 HKAF N=c1c2c(ccn1-c1ccccc1)Oc1ccc3ccccc3c1[C@H]2c1ccccc1 102579379 KDGZGNBQTCOAKO-RUZDIDTESA-N 400.481 6.396 0 1 HKAF Cc1cc(N)c2cc(NC(=O)c3cccc(-c4cncc5ccccc45)c3)ccc2n1 103236394 VXBMJGKJUKMXBQ-UHFFFAOYSA-N 404.473 5.593 0 1 HKAF Brc1ccc(Nn2c(-c3ccccc3)nc3c2[C@H]2C=CC=C[C@@H]2C=N3)cc1 104287365 RBIAMFBUQSNWDH-APWZRJJASA-N 417.310 5.730 0 1 HKAF CC(C)c1ccc(-n2[nH]c(-c3ccccc3)c(C(=O)c3ccc(Cl)cc3)c2=O)cc1 141073614 VJXGYEPOVQPPFP-UHFFFAOYSA-N 416.908 5.840 0 1 HKAF Cc1ccc2cc(CSc3ccc(C(=O)Nc4ccc(F)cc4)cn3)ccc2n1 144986741 QAPVJAYTBYXKQI-UHFFFAOYSA-N 403.482 5.622 0 1 HKAF C[Si](C)(C)CCCCCCCCCCCCCCNc1ccc(C(=O)O)cc1 194951279 WXECGLYHJOYTQT-UHFFFAOYSA-N 405.699 7.816 0 1 HKAF C[C@H]1[C@@H](O)CC[C@H]2[C@]3(C)CC[C@]4(C)C(=CC[C@@]5(C)CCC(C)(C)C[C@@H]45)[C@H]3CC[C@@]21C 238740562 WUUFUVDVIXLTIU-UKEVEFGVSA-N 412.702 7.779 0 1 HKAF CC1(C)CC[C@@H]2CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 238763910 LCYNRONMEBBTCU-GEVUATRDSA-N 412.702 7.779 0 1 HKAF C[C@@H](CC(=O)CO)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 255219948 IPALYVZOVKJMJG-WAWRXQFFSA-N 414.630 5.748 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(C(F)(F)F)ccc3F)nc3ccc(O)c1c23 586985774 FZFJSBQVMZORCJ-UHFFFAOYSA-N 409.338 5.977 0 1 HKAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(I)cc2[nH]1 587063002 ZCEFSQWKMOODOT-AWEZNQCLSA-N 412.658 5.351 0 1 HKAF Cc1cc(Cl)ccc1OCCCc1nc2cc(Br)c(C)c(C)c2[nH]1 587066736 QVBQIEUUPSZIFT-UHFFFAOYSA-N 407.739 5.916 0 1 HKAF FC(F)(F)CSc1cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)ccn1 587091728 OGVQSPSNQOXYML-UHFFFAOYSA-N 411.758 5.952 0 1 HKAF Cc1ccc(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1C 587099970 BQJRHJGFMKUJAO-UHFFFAOYSA-N 407.469 5.666 0 1 HKAF COc1cc(-c2nc3ccc4c(c3[nH]2)CCCC4)cc(-c2ccc(C(=O)O)cc2F)c1 587144191 UKEPWBCQOJJLFD-UHFFFAOYSA-N 416.452 5.622 0 1 HKAF CCOC(=O)C(CC)(CC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347042 KUEXIVVPIAHHCD-OFNKIYASSA-N 414.473 5.018 0 1 HKAF COc1cccc([C@@]2(C(C)(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587355281 XDFGWMLLXKNDHU-ZEQKJWHPSA-N 420.480 5.840 0 1 HKAF COc1cccc(-c2cc([C@H]3C[C@@H]3c3ccc(F)cc3)nc3c2oc2ccccc23)c1 587360766 SARWEYBHXYIKDP-GGAORHGYSA-N 409.460 7.067 0 1 HKAF COc1cccc(-c2cc(CC(=O)Nc3ccccc3C)nc3c2oc2ccccc23)c1 587363121 PZPIBFHKVGHMSF-UHFFFAOYSA-N 422.484 6.146 0 1 HKAF CCO/C=C(\C(=O)OCC)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587364173 YKUPVCYSNXHGNZ-HKWRFOASSA-N 417.461 5.597 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCSc3ccccc32)[C@@H]1c1ccc(F)cc1 587372108 HPKPEIXGUOZAIM-ISKFKSNPSA-N 406.478 5.672 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(C)c(OCc4ccccc4C)c(C)c1)[C@@H](C2)C3=O 587444837 VSAKPUAROCSJDY-WXVAWEFUSA-N 414.501 5.688 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(OC)cc1Cl)CC2=O 587461029 IYFHQEWVSXNRHM-RUZDIDTESA-N 422.908 5.916 0 1 HKAF O=C1C[C@@H](c2ccc(COc3cccc(Cl)c3)o2)Oc2c1ccc1c2CCCC1 587499284 IGDYAVBQFNVRIN-QHCPKHFHSA-N 408.881 6.097 0 1 HKAF O=C1C[C@H](c2ccccc2OCc2cn3ccccc3n2)Oc2c1ccc1c2CCCC1 587516443 XMERSXBNZPKXCM-RUZDIDTESA-N 424.500 5.499 0 1 HKAF Cc1cc(C)c2[nH]c3c(c2c1)CC[C@]31Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591839 XEDZHGGVYIYTKW-HFZDXXHNSA-N 411.457 5.294 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1Cc1cccs1 587612744 MVOQZTRJBPQTSU-OFNKIYASSA-N 403.459 5.006 0 1 HKAF COc1ccc2c(C)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)oc2c1 587615370 GQNMZLTZTWFZTI-YKSBVNFPSA-N 402.402 5.158 0 1 HKAF COC(=O)c1cc(-c2[nH]c3cc(Cl)c(F)cc3c2C)cn1C(=O)OC(C)(C)C 587631883 YQAFLZKDVYOORL-UHFFFAOYSA-N 406.841 5.307 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3F)c(NC(=O)CCC(=O)O)c2c1 587640068 BLZLBDZOJCXGKH-GFCCVEGCSA-N 400.425 5.430 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3c[nH]c(C=O)c3)c(N3CCC(C(F)(F)F)CC3)c2c1 587640977 HQEVUKNRRFZWIF-CQSZACIVSA-N 417.475 6.268 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2cccs2)(C(F)(F)F)N1 587706232 PKVICXHBJCGFJN-RVVRRQGASA-N 420.269 5.655 0 1 HKAF Cc1ccc(-c2nc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)co2)cc1 587775919 UZMJWZJKXNTONO-BUXKBTBVSA-N 401.279 5.175 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c4c(cccc24)CC3)N1 587815034 JSPCQCMUMCUYGW-JCQPUDPBSA-N 410.330 5.638 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C3CCCCC3)s2)N1 587849155 QTYZNHCNCWIMOL-YUNKPMOVSA-N 408.380 6.321 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)s2)(C2CCC2)N1 587850083 XBIKBIOYSQSQIN-MGNBDDOMSA-N 414.771 5.881 0 1 HKAF COc1cc(-c2ccccc2)c(OC)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 587945400 OAMVLXOODWBOCD-UHFFFAOYSA-N 407.416 6.232 0 1 HKAF O=C(O)CCCCCCCCCCCCc1nc2cc(Cl)nc(Cl)c2[nH]1 587956660 JPIPOUYPGIOFIM-UHFFFAOYSA-N 400.350 6.183 0 1 HKAF Fc1ccc(-c2cc([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n[nH]2)cc1 653740483 UWOOOJUEPGGPCJ-ISKFKSNPSA-N 416.500 5.052 0 1 HKAF O=C(NCCc1c[nH]c2ccc(Br)cc12)c1ccc(Cl)c(Cl)c1 1857611819 KFYBWABVUYGOQK-UHFFFAOYSA-N 412.114 5.210 0 1 HKAF COc1ccc(-c2cccc3c(Cl)c(Br)c(C(F)(F)F)nc23)cc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c1ccc(CO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 5881960 JZTUKWPZYXUZMX-NRFANRHFSA-N 403.353 6.446 0 1 HKAF C[C@@H](C(=O)O)N(Cc1ccccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 10450435 QZXLPZCVSQEMJL-JTQLQIEISA-N 401.677 5.154 0 1 HKAF CCC[C@H](C)C(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12 13489793 RGZYMEURWNTRHY-NSHDSACASA-N 407.354 5.527 0 1 HKAF CC1=CC(=O)O[C@@H](CSc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)[nH]2)C1 13730525 VBXYZAHREOVTKF-GOSISDBHSA-N 412.461 5.376 0 1 HKAF Fc1ccc(CN2CCC(CCO[C@@H](c3ccccc3)c3cccs3)CC2)cc1 13760766 JJWWNMORPVFEBM-VWLOTQADSA-N 409.570 6.296 0 1 HKAF O=S(=O)(/C=C/c1ccco1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 26850657 BXGIZDNJLISTLA-FYWRMAATSA-N 408.504 5.483 0 1 HKAF COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccccc2OC)cc1 27199391 DCNWXRREQARTNN-ILBGXUMGSA-N 401.506 5.431 0 1 HKAF FC(F)(F)CSc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1 28221459 HNGYYQNAHYULOJ-UHFFFAOYSA-N 403.256 6.705 0 1 HKAF O=C(Nc1cccc2cnccc12)N[C@H]1CCc2ccccc2[C@@H]1Cc1ccccc1 28959099 QEMYRXIETDRZCN-AHWVRZQESA-N 407.517 5.698 0 1 HKAF CC/C(=C(/c1ccccc1)c1ccc(OC(C)=O)cc1)c1cccc(OC(C)=O)c1 29489596 MGUYNUJGUWQCGH-OCEACIFDSA-N 400.474 5.906 0 1 HKAF CCOC(=O)[C@@]12C[C@]1(c1ccc(-c3ccccc3)cc1)c1cc(Cl)ccc1NC2=O 34821502 ICNIQJRZECJZDR-DQEYMECFSA-N 417.892 5.198 0 1 HKAF O=C1c2ccccc2[C@@](OCc2ccc(O)cc2)(c2ccccc2)N1Cc1ccccc1 35064335 WMRLUQXKAAFQLC-NDEPHWFRSA-N 421.496 5.466 0 1 HKAF COC(=O)[C@H](Oc1ccc(Cl)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 39242674 KJWXRQYNWDVHBK-HXUWFJFHSA-N 403.261 6.079 0 1 HKAF NC(=S)Nc1cccc(OCCCCCOc2cccc(Cc3ccccc3)c2)c1 45506544 JUWVWZGPDRZJMI-UHFFFAOYSA-N 420.578 5.561 0 1 HKAF COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc(NC(C)=O)c1 49037148 DZTLOLIBSNAFTP-QFQXNSOFSA-N 420.553 5.361 0 1 HKAF CSCC[C@H](Nc1nc(-c2ccccc2C)cs1)C(=O)NC1CCCCC1 82191882 BKRRLOCWEPQBOJ-SFHVURJKSA-N 403.617 5.101 0 1 HKAF CC(C)C[C@@H](C(=O)O)c1cc(Cl)c(OCC2CC2)c(-c2ccc3nonc3c2)c1 88282833 LDJKPCMRFDZALX-QGZVFWFLSA-N 414.889 5.546 0 1 HKAF CC(C)CC[C@@H]1CCCCCCc2c1oc(O)c([C@@H](c1ccccc1)C1CC1)c2=O 100712805 NTGVRTZESMZGOJ-GMAHTHKFSA-N 408.582 6.914 0 1 HKAF Cc1ccc(-c2cc(Cl)c(-c3nc(-c4c(F)cccc4Cl)nn3C)s2)cc1 103174740 GCVKZWOPGPLQDK-UHFFFAOYSA-N 418.324 6.632 0 1 HKAF O=C1C[C@H](c2ccc(Cl)cc2)Nc2c(Br)cc(Br)cc21 103213556 KZKSAHJDZWTMDN-CYBMUJFWSA-N 415.512 5.605 0 1 HKAF CCCCNC(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 105173053 HAQWXGIWOXBEKK-XODARUQUSA-N 420.601 5.465 0 1 HKAF CCCC(=O)Oc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1 114770706 WZWBQRCMIMNTNG-UHFFFAOYSA-N 423.476 5.622 0 1 HKAF C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 137435387 AWUHBUKNSPYYTJ-JBPVSEGESA-N 422.697 8.153 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ncccc2Cl)CC1 140986930 USAYUWJTCYIKSX-UHFFFAOYSA-N 401.791 5.247 0 1 HKAF C[C@@H](CCCc1ccc(F)cc1)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CNCC1 169344084 YRFKEHZPCQKFTM-ZWKOTPCHSA-N 423.572 6.212 0 1 HKAF NC[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4ccccc4)n3)c(Cl)cn2)CC1 169703656 JDSQHSZBUZZGJW-IZAXUBKRSA-N 421.976 5.339 0 1 HKAF C[C@@]12CCC[C@@](C)(C(=O)OC[Si](C)(C)C)[C@H]1CC[C@@]1(CC(=O)O)CCCC[C@@H]21 195405370 NNNFVGTWOCBZOL-HYYNZMQPSA-N 408.655 5.665 0 1 HKAF CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C)C(C)C 255225083 KYOFIJXMVNQYFC-LHLOYUQHSA-N 412.702 8.233 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@@H]1[C@H](O)C3 257485546 MPCLLXXLNXORCU-NBDBKJNWSA-N 402.663 6.504 0 1 HKAF endogenous,in-man C[C@H](CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O 261499003 WVXOMPRLWLXFAP-UFYBJOMGSA-N 416.646 6.453 0 1 HKAF endogenous,in-man O=[S@@](OCCCn1ccc2c(/C=C/c3ccccc3)cccc21)c1ccccc1 299839581 YUMFOVNZAQXMJR-WYJAOCDSSA-N 401.531 5.941 0 1 HKAF COc1cc(-c2cc3ccccc3s2)cc2c1OCCN(Cc1cccnc1)C2 473127360 BMAXSDWPOYNUMS-UHFFFAOYSA-N 402.519 5.367 0 1 HKAF Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1NC(=O)c1cnoc1C 473249356 VHRILNSMWNCPBN-UHFFFAOYSA-N 411.461 5.463 0 1 HKAF CC(C)c1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c(O)c(C(C)C)c1 586896132 HIRQICFXQJGDGK-UHFFFAOYSA-N 407.739 6.598 0 1 HKAF Clc1ccc(-c2nc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)cs2)cc1 587016481 WNXBEYIMSWIPQM-UHFFFAOYSA-N 403.894 6.799 0 1 HKAF Cc1c(-c2nc3ccc(F)c(Br)c3[nH]2)cnn1-c1ccc(Cl)cc1 587075766 LZYCNXQPVMWJRP-UHFFFAOYSA-N 405.658 5.279 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@@H]4Cc5cc(Cl)ccc5O4)[nH]c3c2)cc1 587080220 LIGQDIQXXJFBIU-NRFANRHFSA-N 420.852 5.471 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](c1ccc(C(F)(F)F)cc1)CC3 587104614 ZIBDXSKJIYJRFG-MRXNPFEDSA-N 415.414 6.543 0 1 HKAF Cc1ccc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2c1 587131115 YAQMTALFCLRTAX-UHFFFAOYSA-N 405.408 5.088 0 1 HKAF COC(=O)c1cc2[nH]c(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)nc2cc1OC 587145781 QLDJDRIGIUMCMW-UHFFFAOYSA-N 424.859 5.793 0 1 HKAF O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1CCc2nc3cccc4c3c(c2C1)CC4 587209193 JEGQDCIYLOMBOW-AWEZNQCLSA-N 412.320 5.319 0 1 HKAF COc1ccc2c(c1Cl)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327245 GBMPRWDMYUHHFW-XUZZJYLKSA-N 424.855 5.394 0 1 HKAF Cc1cccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587356705 RFIXBSYZDRPADM-IXCJQBJRSA-N 424.471 6.142 0 1 HKAF CCOC(=O)C[C@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587364128 XGYZGEQLFYEJCO-INIZCTEOSA-N 415.489 5.715 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1c(Cl)cccc1Cl)[C@@H](C2)C3=O 587424240 YIHFWTVCPRCBJE-HJPURHCSSA-N 411.284 5.693 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccn1)(c1ccc(Cl)cc1)CC2=O 587459322 CLFRRTHMOXERND-XMMPIXPASA-N 407.897 5.497 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1ccc(C(F)(F)F)cc1)CC2=O 587464094 IFTSMARFXXHDJX-OTDUKCBNSA-N 419.443 5.300 0 1 HKAF Cc1[nH]c2ccccc2c(=O)c1CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587524610 JQQKHZCRBYPGNZ-AREMUKBSSA-N 401.506 5.072 0 1 HKAF CN(C)C(=O)Sc1ccc2c(c1)CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587531727 IYGRXXWYDDTBJL-RUZDIDTESA-N 421.562 5.536 0 1 HKAF CCOc1ccc(OCc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587534700 XLUHGNDODCRSPE-VWLOTQADSA-N 418.489 5.843 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2)cc1F 587556023 UICQMMKKPJQXRD-OZXSUGGESA-N 412.416 5.901 0 1 HKAF CC(C)Cn1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21 587575589 GANYFURJCUBIJE-ZJSXRUAMSA-N 414.461 5.101 0 1 HKAF Cc1oc(-c2ccccc2)nc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588012 REWSFQUAGNWRNU-CJFMBICVSA-N 413.429 5.233 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccccc2)nc1 587588204 PMXASWQKHNNZGV-DHLKQENFSA-N 411.413 5.282 0 1 HKAF CC(C)(C)c1ccc2c(c1)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601553 DNDNDZBPIDEQHW-WNCULLNHSA-N 414.501 5.883 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CC1CCCC1)c1ccccc1 587604376 WCEZCLAHNCLSTO-JYFHCDHNSA-N 400.474 5.830 0 1 HKAF CC(C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1Cc1cccc(N)c1 587628609 XLKNDXBJEBTHMP-UHFFFAOYSA-N 400.366 6.502 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Oc3c(Cl)cc(Cl)cc3Cl)c2c1 587640829 JPVAWJSFCQLDCN-SNVBAGLBSA-N 410.728 7.169 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3C(=O)O)c(-c3ccc(Cl)cc3)c2c1 587642329 REQYUJWTEGUNEQ-OAHLLOKOSA-N 403.909 7.367 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CCC(F)(F)F)c2)N1 587708570 BOJYSJSBZHOBRK-ZMZPIMSZSA-N 416.256 5.707 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccc(C(F)(F)F)cc2)N1 587710527 DISTZYFBZFYLHV-ZMZPIMSZSA-N 416.256 5.815 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)c(Cl)cc2Cl)N1 587722932 UPAUXLXONQWOKW-CQLKUDPESA-N 421.112 5.832 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](Oc3ccccc3)C2(C)C)N1 587812076 PFDDBNKFYYZRNC-XFPJRNFQSA-N 404.323 5.195 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccccc3)o2)N1 587831758 YEUYZNHMXBZHOU-YEJXKQKISA-N 400.291 5.646 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3oc4ccccc4c3c2)N1 587832475 JYEZKVZYPNLZHH-IPQOISQHSA-N 410.286 6.111 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccsc3)s2)N1 587846829 IKMBDTZIZADCIE-MLCYQJTMSA-N 408.361 6.002 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3cccs3)cs2)N1 587852473 LIYUSCPWSRCNNQ-MLCYQJTMSA-N 408.361 6.002 0 1 HKAF Cc1cccc(-c2nc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cs2)c1 587852714 NEWPBIXFGQWYNO-BLVKFPJESA-N 417.347 5.644 0 1 HKAF CCCc1cc(C(=O)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)cs1 587861156 KWHMJHXAMANFTD-UHFFFAOYSA-N 409.338 5.958 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1cccc(C)c1C 587862246 JHNFIEJUGNNLCC-HNNXBMFYSA-N 418.415 5.302 0 1 HKAF COc1cc(O)cc(-c2cccc(-c3nc4cc(F)cc(Br)c4[nH]3)c2)c1 587931159 FXGQWKGAMUTBHC-UHFFFAOYSA-N 413.246 5.513 0 1 HKAF O=C(O)CCc1ccc(-c2ccccc2)n1-c1cnc2cc(Br)ccc2c1 587938795 AONLGBREDRBVBR-UHFFFAOYSA-N 421.294 5.472 0 1 HKAF COc1cc2c(cc1OC)[C@]1(CC3(CCCCC3)Oc3ccccc31)N(C)[C@H](C)C2 962569886 MIHRLDYSKWYJSO-WXTAPIANSA-N 407.554 5.309 0 1 HKAF C[C@H](c1ccc(Cl)cc1)[C@]1(C)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N21 962638529 LGZNYCHHIWRKLN-ZYNUUPFYSA-N 408.929 5.006 0 1 HKAF CN(Cc1ccccc1Cl)C(=O)C[C@]1(C)NCCc2cccc(-c3ccccc3)c21 962664663 PFBGVBIGUJIONC-SANMLTNESA-N 418.968 5.417 0 1 HKAF CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[C@H]1NCCc2cc(-c3ccccc3)ccc21 962667284 NIPWQMYDZUYGFY-LKWPAVRVSA-N 418.581 5.480 0 1 HKAF C[C@]1(c2cc(-c3ccc(Cl)cc3)no2)c2ccsc2CCN1Cc1ccco1 962706542 MPDUPGATSWEKHD-JOCHJYFZSA-N 410.926 5.971 0 1 HKAF Cc1ccc(F)c(NC(=O)Nc2ccc(-c3[nH]c4ccccc4c3C(N)=O)cc2)c1 1772633648 KBFDGVQFBWWPKS-UHFFFAOYSA-N 402.429 5.025 0 1 HKAF Cc1noc(-c2ccc(F)cc2)c1[C@@H]1C[C@@](C)(c2ccc(F)cc2F)NC(=N)S1 1857601087 MSOZKIYEHOFBRD-UWJYYQICSA-N 417.456 5.685 0 1 HKAF COc1ccc2c(c1)c([C@@H]1CC(c3ccncc3)=NO1)cn2Cc1ccc(Cl)cc1 1857652244 YPGNBBBRAKXIRN-DEOSSOPVSA-N 417.896 5.612 0 1 HKAF Cc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1ccnc(-c2ccncc2)n1 1857766918 QXKNHMYMTRRMBM-UHFFFAOYSA-N 406.514 6.305 0 1 HKAF CCO[C@H](C)n1cc(-c2cnc(N)c(O[C@@H](C)c3cc(F)ccc3Cl)c2)cn1 1911576054 GJJHXRIDXNYJST-QWHCGFSZSA-N 404.873 5.015 0 1 HKAF C[C@H]1CC[C@]2(NC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5CCC=C(O)[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 2356332113 ABWGJSLIJIBLBD-CCDYQKRPSA-N 413.646 6.058 0 1 HKAF C[C@@H](CC[C@H](C)[C@H]1C[C@H]1C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356462776 DSCWSZBNGFQSCJ-VBSSZPRMSA-N 414.718 7.715 0 1 HKAF C[C@H](CO)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356577432 DKISDYAXCJJSLZ-QKSHGXOVSA-N 404.679 6.441 0 1 HKAF CC(C)Oc1cc(F)ccc1-c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)[nH]n1 61907452 VNOOZBMQIIBVCN-UHFFFAOYSA-N 407.367 5.274 0 3 HKAF CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccccc2C)C2=C(O)CCCC2=N1 689994 ONFUXUPLAKQDEN-JOCHJYFZSA-N 408.448 5.720 0 1 HKAF CC(C)c1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCc2ccccc2F)cc1 775949 MYSHGRBCZHWFNB-UHFFFAOYSA-N 408.517 5.874 0 1 HKAF COc1c2c(c3c(c1OC)CN(CC(c1ccccc1)c1ccccc1)CC3)CCC2 1567206 RRWIQPOZTXOAIS-UHFFFAOYSA-N 413.561 5.383 0 1 HKAF CC(C)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1cccc2ccccc12 2482083 GDXNCZIIBVUQDV-UHFFFAOYSA-N 404.897 6.201 0 1 HKAF Cc1c(C)c2c(c([C@H](CCCCCC(=O)O)c3ccc(F)cc3)c1O)CCCC2=O 13456437 CSYKJFXMLXGRPX-LJQANCHMSA-N 412.501 5.834 0 1 HKAF O=C(O)C(CCCCCCCc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)O 13727273 CWEPTYAYGPNMGS-UHFFFAOYSA-N 421.493 5.677 0 1 HKAF FC(F)(F)c1cccc(Cn2c(Br)nc3cc(Cl)c(Cl)cc32)c1 13779312 AHCWMTZWHMFULG-UHFFFAOYSA-N 424.047 6.173 0 1 HKAF COc1cc2nccc(Oc3ccc(Nc4ccc(C(C)C)cc4)cc3)c2cc1OC 27990290 ZOZFANGNXJDGKY-UHFFFAOYSA-N 414.505 6.911 0 1 HKAF CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccs1 28390480 WUNJCJOCGLXHNU-UHFFFAOYSA-N 424.300 6.231 0 1 HKAF CCC/C=C/c1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(Cl)c(Cl)c1 28758140 ISMIGHBJHQHRNZ-CMDGGOBGSA-N 406.397 7.608 0 1 HKAF S=C(Nc1ccc(Cl)cc1Cl)N1CCCC[C@@H]1C12CC3CC(CC(C3)C1)C2 29549169 IBKYUBJBKZRZBU-AIRYCRCHSA-N 423.453 6.761 0 1 HKAF Cc1cccc2nc(-c3cccc(-c4ccc(NC(=O)Nc5ccsc5)cc4)c3)[nH]c12 45301782 VJXIGOFUWSIPHZ-UHFFFAOYSA-N 424.529 6.911 0 1 HKAF CCOc1cccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)c1 73243017 IRDDWBBHNGQUSY-UHFFFAOYSA-N 406.869 5.289 0 1 HKAF Oc1ccc2c(c1)CCc1ccc(O)c(c1)-c1cc(ccc1O)/C=C\c1ccc-2c(O)c1 85947337 AANIEYOTXCALEB-UPHRSURJSA-N 422.480 6.112 0 1 HKAF COC(=O)c1cccc(NC(=O)/C=C/Oc2ccc(C(C)(C)CC(C)(C)C)cc2)c1 95579237 ZEXAUCGQGNXJFD-CCEZHUSRSA-N 409.526 5.718 0 1 HKAF CCCCn1c2cc(OCC(C)C)ccc2c2cc[n+](Cc3ccccc3)c(C)c21 95594942 RIUBAERVSGXLJN-UHFFFAOYSA-N 401.574 6.274 0 1 HKAF Oc1ccc(OCc2ccc3ccccc3n2)cc1[C@@]1(c2ccccc2)C[C@@H]2CC[C@@H]1C2 101162401 ZKLNDDMIESNWFZ-LZVPSXTNSA-N 421.540 6.626 0 1 HKAF O=C(Nc1cccc(Nc2ccccc2)c1)c1cnn2c1NC(=C1CC1)C=C2C(F)F 103112497 AABGHFWXMGZNOV-UHFFFAOYSA-N 419.435 5.458 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118937338 WOVIRZFRRNEFES-OWLYXOSLSA-N 414.718 8.313 0 1 HKAF endogenous,in-man CC(C)=CCC/C(C)=C/Cc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O 143018957 LEFFXTVNSKTXIC-VIZOYTHASA-N 422.477 5.518 0 1 HKAF CC(C)(C)c1cc(/C=C/c2ccccc2)cc(C(C)(C)C)c1OC[C@@H](O)CNC1CC1 169315724 AOQHHQIZHSQEDP-OTOIZHKDSA-N 421.625 5.944 0 1 HKAF CN1CCCCCCCCCC(=O)OC[C@H]2[C@@H](C[C@H]3CC[C@H]2N3C)c2ccc1cc2 253674190 GFWKSCDPOYKBDG-WSOYEBOPSA-N 412.618 5.367 0 1 HKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 586983142 WFSUHZYKFDZTPC-DNVCBOLYSA-N 415.335 5.422 0 1 HKAF Cc1ccc2c3c(cc(CCc4ccc(C(F)(F)F)cc4)nc13)-c1ccccc1C2=O 586993146 LVMIMSLQDZHOIB-UHFFFAOYSA-N 417.430 6.559 0 1 HKAF Cc1ccc2c3c(cc(CC(=O)c4cc(Cl)ccc4O)nc13)-c1ccccc1C2=O 586993750 RBRAXTTXUSYPFR-UHFFFAOYSA-N 413.860 5.539 0 1 HKAF Clc1cccc(/C=C\c2nc3cc(I)cnc3[nH]2)c1Cl 587054205 MYPFDZZGUQQMME-PLNGDYQASA-N 416.049 5.040 0 1 HKAF CCCCOc1cc2nc(CNc3ccccc3Cl)[nH]c2cc1Br 587060251 HUIXAERQELTIAI-UHFFFAOYSA-N 408.727 5.770 0 1 HKAF Clc1ccc(CN2CCC[C@H]2c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 587075244 GWPFSDQMKDEACZ-QFIPXVFZSA-N 417.940 6.132 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cccc(F)c4[nH]3)c(Cl)cc12 587078498 SJLAZJXZKXOQNS-NSHDSACASA-N 400.837 5.554 0 1 HKAF Clc1nc(-c2nc3ncc(Br)c(Cl)c3[nH]2)ccc1-c1ccccc1 587083641 DJMYINUOXAVNMU-UHFFFAOYSA-N 420.097 5.756 0 1 HKAF Fc1cccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1C(F)(F)F 587096897 DRZBXFSRBQSLQC-UHFFFAOYSA-N 413.399 6.665 0 1 HKAF CCOc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1OCC 587097968 POFYKINWDCCSNW-UHFFFAOYSA-N 409.485 6.219 0 1 HKAF Cc1ccc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2c1C 587131096 XGXRDGHQAYIONN-UHFFFAOYSA-N 419.435 5.397 0 1 HKAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc5ncccc5c4[nH]3)cc2)cc1F 587147253 IJAPSKYZNHGEID-UHFFFAOYSA-N 424.479 5.258 0 1 HKAF Cc1cnc(Cl)c2[nH]c([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc12 587157701 BITWBJIIDLCWOH-GOSISDBHSA-N 402.256 5.881 0 1 HKAF CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]3Cc4c(nc5cccc6c5c4CC6)[C@@]3(C)CC[C@H]12 587214453 QHFVEQHPTYTBSN-LOMAHXHCSA-N 421.540 5.749 0 1 HKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 587247798 UGRXHKKQNQESKJ-UHFFFAOYSA-N 413.399 5.876 0 1 HKAF COc1ccc2c(c1)[C@H](C)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354771 VRUUMJSNIPXYPK-IAVPUSHASA-N 418.464 5.388 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccccc1-c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587424237 YDESUTADCIUXMD-WMZHIEFXSA-N 410.391 5.870 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc(-c3ccc(C)n3C)nc1C)CC2=O 587493428 HGBXVJIZLIOIQR-HSZRJFAPSA-N 410.539 5.304 0 1 HKAF C[C@]1(c2ccnc3cc(Br)ccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587497726 MENFXKFHVIHGJZ-HSZRJFAPSA-N 422.322 5.757 0 1 HKAF O=C1C[C@@H](c2ccccc2OCc2cccc(Cl)c2)Oc2c1ccc1c2CCCC1 587499487 JTJSMBOOWIXQBR-VWLOTQADSA-N 418.920 6.504 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(O)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501530 OSBIUIYXQUCGOK-OAQYLSRUSA-N 422.912 5.184 0 1 HKAF COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 587503480 OHRBBMQANQFZDK-NRFANRHFSA-N 401.300 5.217 0 1 HKAF CCN(Cc1ccccc1)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587503782 ILABQJLPCCZCFO-HHHXNRCGSA-N 411.545 6.298 0 1 HKAF Oc1nc(O)c2ccc(-c3cccc(-c4ccc(OCc5ccccc5)cc4)c3)nc2n1 587560084 WUCQTMLASFVSIQ-UHFFFAOYSA-N 421.456 5.349 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccccc2)cc1 587602490 YDWKJKWHCJALHL-ZEQKJWHPSA-N 410.425 5.887 0 1 HKAF COC(=O)[C@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2c(C(=O)O)cccc12 587638759 PHSUGLMSXYKTKN-LJQANCHMSA-N 419.864 5.491 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C(=C\N(C)C)c2cccc(Cl)c2)N1 587696846 FZMXFZRIBGTEAS-XDRHSVMASA-N 423.757 5.420 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc(Cl)c2Cl)N1 587697587 WUDVFRDDIHRIJK-VGDKGRGNSA-N 423.540 6.172 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(Cl)ccc1CC2(C)C 587699005 PBGRUIVYPYJNDI-YBTHPKLGSA-N 408.742 5.602 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccccc3)[nH]c2Cl)N1 587701958 WYUNLBDLQREZPT-QFYYESIMSA-N 420.713 5.255 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)c(F)cc2Cl)N1 587718753 ODDJYYQJQIBMAX-RBHXEPJQSA-N 404.657 5.318 0 1 HKAF Cc1ccc([C@]2(c3ccccn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587774480 VKNFVLCCKNQIPE-OYHNWAKOSA-N 411.318 5.118 0 1 HKAF Cc1ccccc1[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587816404 XSZBUVLORUCSEN-MWTRTKDXSA-N 410.330 5.723 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc3ccccc3o2)(C2CC2)N1 587832777 KXMDNJLPZUNKOJ-LAJNKCICSA-N 400.291 5.522 0 1 HKAF CC[C@@]1(c2ccc3c(c2)CCCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 587834010 JQWLKZJSLVMCKT-ASSNKEHSSA-N 404.323 5.101 0 1 HKAF CSc1ccc([C@]2(C(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587847675 VAPUJUVIYQDAGP-XCLFUZPHSA-N 408.380 5.744 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CN3CCCCC3)s2)N1 587848918 PXLSCFSTOPMUII-RBZFPXEDSA-N 423.395 5.259 0 1 HKAF COc1cccc(Oc2cccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)c2)c1 587873853 OHMBFPHLNBVIGP-UHFFFAOYSA-N 402.381 5.284 0 1 HKAF COc1ccc(C2(c3nc4ccc(Br)c(O)c4[nH]3)CC3(CCC3)C2)cc1 587938187 UIOMAMNEVRCRSX-UHFFFAOYSA-N 413.315 5.290 0 1 HKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587952376 PQWHYPFYZLPMPL-WBIUFABUSA-N 408.386 6.647 0 1 HKAF Cc1cc([C@]2(c3cccc(F)c3F)NCCc3cccc(-c4ccccc4)c32)ccn1 962665906 RLRVUOJMZHBIPJ-HHHXNRCGSA-N 412.483 5.773 0 1 HKAF Cc1ccc([C@@]2(CCc3ccc(Cl)cc3)c3ccsc3CCN2C(N)=O)c(C)c1 962709453 QTEQNZUEVOKLCW-DEOSSOPVSA-N 424.997 5.832 0 1 HKAF CCCC[C@@H](CC)CCC1(CC[C@H](CC)CCCC)NCCc2cccc(Cl)c21 963390309 HJBWRXQRZKNBNN-DHIUTWEWSA-N 420.125 8.674 0 1 HKAF Cc1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)n3c2CCO[C@H](CF)C3)ccn1 1772651756 SKINSHNFPWBOIP-OAHLLOKOSA-N 406.288 5.138 0 1 HKAF CCN(CC)CCCN=c1[nH]c(/C=C/c2ccc(F)cc2)nc2cc(Cl)ccc12 1857593113 UOVZRIQGZBOVOA-MDWZMJQESA-N 412.940 5.158 0 1 HKAF Nc1ccccc1NC(=O)c1ccc(CSc2ccc(Br)cc2)cc1 1857613245 PQERACYBEYGZPS-UHFFFAOYSA-N 413.340 5.576 0 1 HKAF CC[C@H](C)C(=O)[C@@H]1C(=O)[C@H](CC=C(C)C)C[C@@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C 2356397468 NLRBATXBDYLZDD-QLZFCUCYSA-N 414.674 7.888 0 1 HKAF COc1cc(O)c(-c2c(C)cc(OC)c3c(O)cccc23)c2c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c1c(Br)cc([C@]2(C)CC[C@H]3C[C@@]32C)c(O)c1I 2356579595 FYVRRGGZWREWDC-LNHVQRHZSA-N 421.116 5.145 0 1 HKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H]1CC[C@H]2[C@@H](O1)[C@@H](C)[C@@H](C)[C@@H](O)[C@H]2C 2356606599 WIGCFUFOHFEKBI-JIQNEMQESA-N 422.738 7.872 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1)C(C)C 2356615455 GZZSNPZMOGPILP-YHZXSBGTSA-N 412.702 7.945 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356638661 NBJZGNFIZZWBOJ-MKMALEOZSA-N 416.690 6.894 0 1 HKAF C[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@H]32)C[C@H]1OC(=O)c1ccccc1 2356745491 FODHMRRHZAVFBM-WQQLNHCVSA-N 408.582 6.070 0 1 HKAF CC(C)CCN1CC2=C(CC[C@@H]3[C@]2(C)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]23C)C1=O 2356861752 UMWFLPKNTCIRHN-CKOBMMNXSA-N 401.591 5.279 0 1 HKAF CC(C)c1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(F)cc4F)C3)n2)cc1 1359951 LPKNTXMKEYFBRX-QGZVFWFLSA-N 411.452 5.158 0 3 HKAF COc1ccc(C2=NO[C@]3(SCc4ccccc4C3=O)[C@H]2c2ccc(C)cc2)cc1 6522732 RGWOYVCJPZGHCY-DHLKQENFSA-N 415.514 5.348 0 1 HKAF Cc1cccc(C)c1NC(=O)c1oc2c(c1C)-c1nn(Cc3ccccc3)cc1CC2 6871987 BJJOJXKEQTWUFY-UHFFFAOYSA-N 411.505 5.468 0 1 HKAF CCCc1cccc(/C=C(\Cc2cccs2)C(=O)O)c1Cc1ccc(C(=O)O)cc1 13831937 RKIKRYFZDABPBW-RCCKNPSSSA-N 420.530 5.700 0 1 HKAF CCCCN(CC(C)(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(C)cc1C 26395844 FLMLIFCTOLMALZ-UHFFFAOYSA-N 414.593 6.944 0 1 HKAF CCOP(=O)(OCC)[C@@H](Nc1nc2ccc(OC)cc2s1)c1ccc(F)cc1 28571862 SVUJMJJZCBPKAS-GOSISDBHSA-N 424.434 5.821 0 1 HKAF Clc1ccc([C@@]2(Cn3ccnc3)OC[C@@H](c3ccccc3Cl)O2)c(Cl)c1 28768237 BVANVJVABVSZKC-OALUTQOASA-N 409.700 5.484 0 1 HKAF O=C(NCCc1nc(-c2ccc(-c3ccccc3)cc2)c[nH]1)OCC1CCCCC1 28891231 YPNRWWTZPKGYBX-UHFFFAOYSA-N 403.526 5.593 0 1 HKAF Fc1ccc(-c2nn3ccc(Cl)cc3c2-c2ccnc(NC3CCCC3)n2)cc1 29039827 OMMGCACUFRKUCD-UHFFFAOYSA-N 407.880 5.605 0 1 HKAF O=C(/C(=C(\C1=Cc2ccccc2CC1)c1ccccc1)c1ccccc1)N1CCCCC1 33827586 KAXBSMGEGFUIEQ-ZIADKAODSA-N 419.568 6.640 0 1 HKAF CC(C)(Cc1ccccc1)[C@@H]1OC[C@H](C/C=C\CCC(=O)O)[C@H](c2cccnc2)O1 36242574 XYUJBPXTBCBGMX-DPVWVEHQSA-N 409.526 5.192 0 1 HKAF CO[C@@H]1OCC2=CC[C@H]3[C@@](C)([C@H]21)[C@H](O)C[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@]13C 40576477 BIJAKZXAJWXIHK-OMXYOVJYSA-N 402.619 5.571 0 1 HKAF CCCCc1ccc(-c2ccc3c4c([nH]c3c2F)-c2ccc(NC(C)=O)cc2C4)cc1 40974456 LDZBNTKIPYMZGE-UHFFFAOYSA-N 412.508 6.846 0 1 HKAF in-vivo O=C(NC1(c2ccccc2)CCC1)[C@@H]1CCC[C@H]1c1cc(-c2ccc(O)cc2)on1 45261571 SCWIGWXTGLANFV-NHCUHLMSSA-N 402.494 5.127 0 1 HKAF C/C(=C\Cc1cc(O)c(C)c(C)c1O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 62237554 SUFZKUBNOVDJRR-CPXKFIDQSA-N 416.690 8.643 0 1 HKAF in-vitro Cc1ccc(Oc2cncc(NCC3CCCCC3)n2)c(-n2nc3ccccc3n2)c1 82068558 JLUMIEHGWXWYIB-UHFFFAOYSA-N 414.513 5.303 0 1 HKAF COc1cc2nc(N3CCCC3)nc(NCc3cccc4ccccc34)c2cc1OC 82119587 MJGBVCOJVRVCNG-UHFFFAOYSA-N 414.509 5.013 0 1 HKAF CC[C@H](C)Nc1ncc(C(=O)N(CC)Cc2ccccc2)c(-c2ccc(F)cc2)n1 82141752 DBYUUDOMLNSRMO-KRWDZBQOSA-N 406.505 5.155 0 1 HKAF O=C(O)c1cccc(Cn2ccc3cc(-c4ccc5cc(Cl)ccc5n4)ccc32)c1 95574119 OJLAQSUAWVAHAO-UHFFFAOYSA-N 412.876 6.256 0 1 HKAF O=C1c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2NCN1Cc1ccccc1 95574452 KXTCTBIJFJXTAT-UHFFFAOYSA-N 414.896 5.657 0 1 HKAF Cc1c(COc2cccc(F)c2)oc2cccc(OCCNCc3cccnc3)c12 98084819 XGKNZESNESNCFN-UHFFFAOYSA-N 406.457 5.023 0 1 HKAF CC[C@@H](Nc1ccc(C)c(CNC[C@H](C)C(=O)O)c1)c1cc(C)c(Cl)c(C)c1 118393087 RZIWBAYBSONRSN-LAUBAEHRSA-N 402.966 5.639 0 1 HKAF CCOc1cccc(F)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2ncc(C)s2)c1 167556721 RIRYXIASDPQCQR-YWZLYKJASA-N 424.541 5.766 0 1 HKAF CN1N=C2/C(=C/c3ccccc3)CN(CCc3ccccc3)C[C@H]2[C@H]1c1ccccc1 196481647 CXUPFXWEVDCCDH-MZPPMKSDSA-N 407.561 5.287 0 1 HKAF O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2cccc(F)c2)c1 216053164 GQWZRJGUIYNTGE-UHFFFAOYSA-N 406.888 5.524 0 1 HKAF CCO[C@H]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[C@H](c2ccc(C(=O)O)cc2)C1 223181853 NHSANTONQVVKKW-REWPJTCUSA-N 406.526 5.225 0 1 HKAF CC(C)=CCCC(=C(C)C)c1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1O)CC2=O 238747144 DMNAUYOAYXVAND-QFIPXVFZSA-N 424.493 5.755 0 1 HKAF C[C@H](CC/C=C/C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 299830154 NHEWLDFHCRCFME-SUNGNRPHSA-N 418.618 5.034 0 1 HKAF COc1ccc(C=O)c2cc(-c3nc4c(Cl)cc(Br)cc4[nH]3)oc12 586904501 VQDCLTFFYCLHRI-UHFFFAOYSA-N 405.635 5.213 0 1 HKAF CCCCCCc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586991133 JLMWRFFADWPKSF-UHFFFAOYSA-N 407.513 6.942 0 1 HKAF FC(F)(F)c1c(Br)ccc2nc(-c3ncsc3-c3ccccc3)[nH]c12 587027988 KRDDXTQKTDSDQZ-UHFFFAOYSA-N 424.245 6.135 0 1 HKAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cccc(C(C)(C)C)c4[nH]3)c2C1 587032436 VPGAWFXSTQOVBB-UHFFFAOYSA-N 411.571 5.882 0 1 HKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(C)c(Br)cc2[nH]1 587044945 XSKBPQIZTWMVTA-UHFFFAOYSA-N 416.102 5.625 0 1 HKAF COc1cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc(Cl)c1OCC(C)C 587045650 APAQYFZJGRPZAN-UHFFFAOYSA-N 410.804 5.248 0 1 HKAF FC(F)(F)c1cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2cc1Cl 587063672 YNGOHRVYLAFWON-UHFFFAOYSA-N 421.249 7.146 0 1 HKAF Cc1ccc(-c2cc(-c3nc4cc5c(cc4[nH]3)OCO5)c3cccc(Cl)c3n2)o1 587083533 YRILCNQCMLYGDX-UHFFFAOYSA-N 403.825 5.729 0 1 HKAF Fc1ccc(/C=C(/c2nc3cc(Br)c(F)cc3[nH]2)c2cccs2)cc1 587162500 BWUBULUYXALPIB-MDWZMJQESA-N 417.278 6.254 0 1 HKAF Fc1ccc(/C=C(/c2nc3cc(Br)cc(F)c3[nH]2)c2cccs2)cc1 587163083 GKDVWJBRPKZHRA-RIYZIHGNSA-N 417.278 6.254 0 1 HKAF CCCCc1c(CC(=O)c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O 587205427 AGQUFSHEMGMZOB-UHFFFAOYSA-N 405.497 6.214 0 1 HKAF Oc1ccc(Nc2cccc(-c3nc4c(Cl)c(Br)cnc4[nH]3)c2)cc1 587241872 JXFNUXGWSMYKNI-UHFFFAOYSA-N 415.678 5.490 0 1 HKAF CC[C@]1(c2ccc3c(c2)CCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355890 GVKGGNVGNNRPNQ-AZGAKELHSA-N 418.464 5.521 0 1 HKAF COc1cccc(-c2c(C)c(-c3cc(C)ccc3OC)nc3c2oc2ccccc23)c1 587363299 PWEWDXFBDMLSAJ-UHFFFAOYSA-N 409.485 6.949 0 1 HKAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccccc1F 587384111 AJMWERJZKXENRW-QFIPXVFZSA-N 407.441 5.010 0 1 HKAF CNc1cccc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587511399 KFVTUVZGJCGQOL-HHHXNRCGSA-N 409.485 5.061 0 1 HKAF CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587514316 NMMUHTAHSAHWSY-VWLOTQADSA-N 411.542 5.081 0 1 HKAF CCCCc1ccc([C@@]2(CCCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587529067 IJTMVFQDQXTMGZ-HHHXNRCGSA-N 420.549 6.024 0 1 HKAF O=C1C[C@@H](c2ccc(Sc3ccc(Cl)cc3)o2)Oc2c1ccc1c2CCCC1 587532326 MALOYWYHBHTDRN-NRFANRHFSA-N 410.922 6.670 0 1 HKAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br 587541093 SQHDZUZZHLPTBR-GHTZIAJQSA-N 411.251 5.166 0 1 HKAF CC[C@H](C)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587593367 IVXNYRXJWXLZRO-JCVZSFDNSA-N 420.461 5.281 0 1 HKAF O=C(c1ccc(Cl)cc1)c1c(C(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 587623065 XZUHEPCFXQZCHQ-UHFFFAOYSA-N 424.632 5.629 0 1 HKAF CC[C@@]1(c2c(Cl)cccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587694187 OUJUTFLEVJBGCJ-XTZNXHDOSA-N 417.149 6.083 0 1 HKAF CCC[C@@H](CC1(c2nc3ccc(F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781582 LHDPUMZPBMECPI-IBGZPJMESA-N 408.517 6.064 0 1 HKAF CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCC)c1 587802426 RSFFTJDWKOWXQK-MPBGBICISA-N 408.311 5.009 0 1 HKAF COc1cc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)C 587804892 DAJCMAZWWHQSTH-ASSNKEHSSA-N 406.339 5.652 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cc3ccccc3)cc2)N1 587814049 FSBGZFDWKXHGBF-UPCLLVRISA-N 424.357 5.977 0 1 HKAF CCCCC/C(=C/c1ccccc1)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587817665 DJMPNMOQCPQSKG-KSCFDOQRSA-N 416.378 6.827 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3cc(O)ccc3c2)N1 587830247 CGWJHTHMVNQYRU-QKVFXAPYSA-N 400.291 5.245 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3cccs3)s2)N1 587851220 BHPVUJBIGBQOSY-FVMDXXJSSA-N 409.349 5.397 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccccc3)s2)N1 587854936 SPAKAGWBIHBNAJ-BBATYDOGSA-N 403.320 5.335 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3sc4ccccc4c32)N1 587854976 FDGBWXYRICCEJC-BIBXISHDSA-N 402.332 5.527 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(-n2cccc2)cc1 587862790 JPQGSFIZFIRYPZ-UHFFFAOYSA-N 411.383 5.057 0 1 HKAF COc1cccc(C(=O)c2ccc(-c3nc4cc(Oc5ccccc5)ccc4[nH]3)cc2)c1 587933333 YRDKYIAAXMEGFJ-UHFFFAOYSA-N 420.468 6.262 0 1 HKAF COc1cccc(Br)c1[C@H]1c2ccsc2CCN1Cc1ccco1 962719401 XTJRPKKTXYPBSC-LJQANCHMSA-N 404.329 5.260 0 1 HKAF Cc1ccccc1[C@]1(C2CCCCC2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962728731 FVISOEDQVNKWKD-GGAORHGYSA-N 401.472 5.465 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCc3ccccc3)cc2F)N1 962949286 LEYNRBNYCKINIK-IQGLISFBSA-N 400.497 5.900 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCCC[C@@H]2c2ccc(Br)cc2)N1 962953160 QAOTTXJAIDBEJF-JLGINSKQSA-N 423.398 6.408 0 1 HKAF COc1cccc2cc3c(nc12)[C@](c1ccc(Br)c(C)c1)(C1CC1)NCC3 963056849 NHKDESADCOHWLH-HSZRJFAPSA-N 423.354 5.114 0 1 HKAF COc1ccc2c(C)c3c(nc2n1)C[C@H]1[C@@H]2CC=C4C[C@@H](O)CC[C@]4(C)[C@H]2CC[C@]31C 1857570170 GNYYRSSSHVIDNH-KYQTTYHMSA-N 418.581 5.284 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@@]12C 2356415434 LKHNRKZLWGLUOW-OGVQFNSBSA-N 424.713 8.543 0 1 HKAF CC(=CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C)C(C)C 2356479766 CTWRZEHGRSDRPG-LFODHOIZSA-N 412.702 7.801 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc2c(c1O)C(=O)[C@H](c1ccc(O)cc1O)CO2 2356595410 FXULBICJYGBORJ-IBGZPJMESA-N 424.493 5.103 0 1 HKAF CO[C@]12C[C@](C)(O)[C@@H]3C[C@]4(C)CC[C@H]([C@H](C)C=CC=C(C)C)[C@@H]4CC=C(CO1)[C@@H]32 2356725326 FGDVBOIMXKJEPX-BAVBHULHSA-N 400.603 5.658 0 1 HKAF CCOc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)NCCC(C)C)cc1 774877 UODVNXWCPFVFTK-UHFFFAOYSA-N 412.917 5.837 0 1 HKAF CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NC1CCCCC1 774932 GPLCUDVBWTWLCJ-UHFFFAOYSA-N 408.473 5.609 0 1 HKAF Cc1ccc(-c2ccc(-c3cc(=O)cc(N4CCOCC4)s3)cc2)c2ccccc12 1553586 WJKXTEXQFFTJQR-UHFFFAOYSA-N 413.542 5.741 0 1 HKAF Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1Nc1nccc(-c2cccnc2)n1 3832221 YVNKPHLJKPWZRT-UHFFFAOYSA-N 415.884 5.496 0 1 HKAF O=[P@]1(Oc2ccccc2)[C@H](c2ccccc2)C(c2ccccc2)=NN1c1ccccc1 5810522 KLAWGOKDMUSYCT-NEEKEDPPSA-N 424.440 6.924 0 1 HKAF Cc1nc(NC2CCCCC2)c2nc(-c3ccccc3)n(CCN3CCCCC3)c2n1 7991819 PZYRJEQRRPEISX-UHFFFAOYSA-N 418.589 5.032 0 1 HKAF C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)c1ccc(F)cc1 13560786 LMWKGVHGBOZNCF-GPXOXTDOSA-N 406.476 5.630 0 1 HKAF CCO[P@@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCOCC1 26269079 SOAMWHSBCPTDDV-SANMLTNESA-N 402.456 5.025 0 1 HKAF CC(C)c1ccc(Sc2c(/C=C/[C@@H]3C[C@@H](O)CC(=O)O3)cnc3ccccc23)cc1 28876001 BXEXFNXNQJTATD-DSJULSIBSA-N 419.546 5.589 0 1 HKAF CC(C)=CCc1c(O)c2c(c3cc(C(C)(C)O)oc13)O[C@H](c1ccc(O)cc1)CC2=O 34106256 VEBKLRPESKIERY-IBGZPJMESA-N 422.477 5.287 0 1 HKAF biogenic CC(C)CC(=O)OC[C@H]1C[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 36088389 ZOILZTWSQHWPGH-BXFGUBKDSA-N 404.591 5.689 0 1 HKAF in-vivo CCCCCCN(C=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 36189713 GMEAODWEIDSCAS-VACTTWQNSA-N 416.650 5.257 0 1 HKAF COc1ccc(/C=C/c2noc(/C=C/c3ccc(OC)c(OC)c3)c2C)cc1OC 40395478 NOYUOIKTKKMWPA-JMQWPVDRSA-N 407.466 5.358 0 1 HKAF OC1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12 40421411 YQJSOEKFOQHZGK-AQKKSAQBSA-N 402.321 5.754 0 1 HKAF CSC1=N[C@]2(C[C@H](c3ccc(C)cc3)c3cc(Cl)c(O)cc3O2)CC(C)(C)N1 45300432 YCTHDYRROCDDSR-ZHRRBRCNSA-N 416.974 5.456 0 1 HKAF CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)c(O)c2c1OC(C)(C)C=C2 59777472 MKFGDBFFGQCOGU-FQEVSTJZSA-N 422.477 5.203 0 1 HKAF biogenic,in-vitro CC(C)(C)c1ccc(CN[C@@H]2CCCC[C@H]2NCc2ccc(C(C)(C)C)cc2)cc1 66078077 XAOMNBYDYCCLKS-CLJLJLNGSA-N 406.658 6.472 0 1 HKAF O=C(N[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCCNC1)c1ccc2cnccc2c1 72178719 IZVADJXWZKIYOV-NQIIRXRSSA-N 414.336 5.012 0 1 HKAF O=C(NCc1ccccc1Cl)c1cnc(NC2CCCC2)nc1-c1ccc(F)cc1 82140651 PNVCNXCOPCQLFA-UHFFFAOYSA-N 424.907 5.221 0 1 HKAF CCCOCCCNc1ncc(-c2nc3ccccc3s2)c(-c2ccccc2C)n1 82177084 CPWNVQPBZMYJOR-UHFFFAOYSA-N 418.566 5.957 0 1 HKAF O=c1c2cnc3ccc(OCc4ccccc4)cc3c2[nH]n1-c1ccc(Cl)cc1 139138134 YVTZMZONPJVKRQ-UHFFFAOYSA-N 401.853 5.099 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3ccc[nH]3)c2)cc(-c2ccc3ncsc3c2)n1 142107973 DZRHHZRQFMHMBH-HNNXBMFYSA-N 411.534 6.230 0 1 HKAF Cc1[nH]n(-c2nc3cc(-c4ccc(Cl)cc4)ccc3[nH]2)c(=O)c1Cc1ccccc1 169320273 OUCVDANALLOHKA-UHFFFAOYSA-N 414.896 5.262 0 1 HKAF O=C([C@@H]1CCCN1Cc1cc(Cl)ccc1Cl)N1CCSc2ccccc21 205197479 HOROAWDCWCREFY-SFHVURJKSA-N 407.366 5.097 0 1 HKAF C[C@H](/C=C/c1cc[n+](C)cc1)[C@H]1CC[C@@H]2C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 253678860 SBHBRINKBITFAZ-VCRGDOPYSA-N 420.661 6.100 0 1 HKAF C[C@H]1[C@@H]2[C@H](C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CN2 255224493 KWVISVAMQJWJSZ-YLYJGTIVSA-N 413.646 5.287 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CCC2=C3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255270264 TXYKXUMXTVCWMN-FIOTXMISSA-N 402.663 6.504 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@H](C)[C@@H]1CC3 261519758 KLZWTHGLLDRKHD-LZIVVUOZSA-N 412.702 8.089 0 1 HKAF C[C@H](/C=C/c1cccc[n+]1C)[C@H]1CC[C@@H]2C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 299811234 SXXFURSAPZIHGU-WJHGBENASA-N 420.661 6.100 0 1 HKAF Cc1ccc(-n2cnnc2SCc2nc3cccc(C(F)(F)F)c3[nH]2)cc1Cl 586968808 WNUOZZTVYNAJHW-UHFFFAOYSA-N 423.851 5.417 0 1 HKAF CCOc1cc(/C=C/c2nc3ccc(C)c(C)c3[nH]2)cc(Br)c1OC 586978442 SBLVNJDFMUOBMQ-VQHVLOKHSA-N 401.304 5.520 0 1 HKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc3c(cc2[nH]1)OCCO3 586982941 SBXYXRCHRROOSE-OAHLLOKOSA-N 415.331 5.469 0 1 HKAF Clc1ccc(Br)nc1-c1nc2cc(Br)cc(Cl)c2[nH]1 587005064 LLOIZZITKLFOOE-UHFFFAOYSA-N 421.907 5.457 0 1 HKAF CC(C)Oc1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cc1Br 587017389 WBPAMXYAJRAHIM-AWEZNQCLSA-N 408.321 5.088 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(/C=C/c3ccsc3)[nH]c12 587025091 GFIDIXVTGRMPOY-RUDMXATFSA-N 413.424 6.066 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(C(F)(F)F)cccc4[nH]3)c21 587031408 RNRPLYNIZGNLEQ-GFCCVEGCSA-N 401.457 6.541 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc5c(cc4[nH]3)OCCCO5)c21 587031782 VEBIQHCXXPRMFZ-CQSZACIVSA-N 405.523 5.683 0 1 HKAF CC[C@@H](Oc1ccccc1Cl)c1nc2c(Cl)c(Br)cnc2[nH]1 587061724 IVBVAKLTPFOWGQ-SNVBAGLBSA-N 401.091 5.557 0 1 HKAF O=C1c2ccccc2-c2c(Cc3ccc(OC(F)(F)F)cc3)cnc3cccc1c23 587104481 WKUJYXMFFCHUTK-UHFFFAOYSA-N 405.375 5.936 0 1 HKAF FC(F)(F)Oc1cccc(CSCc2nc3cc(C(F)(F)F)ncc3[nH]2)c1 587123866 VHIJDNXYQROWKB-UHFFFAOYSA-N 407.339 5.309 0 1 HKAF O=C(CCc1cccc(-c2cc3c4c(cccc4n2)CC3)c1F)OCc1ccccc1 587210270 MBSYQPMHJHJUPM-UHFFFAOYSA-N 411.476 5.816 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](c1nc2cc(F)cc(Br)c2[nH]1)C1CCCC1 587225529 LKYDIOYDNZMCLA-CQSZACIVSA-N 412.303 5.221 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(Oc3ccccc3)cc2[nH]1 587235218 HPQVEIDIZKYAIE-RTBURBONSA-N 407.514 5.906 0 1 HKAF COc1cccc(-c2cc(-c3c(C)[nH]c(C(C)=O)c3C)nc3c2oc2ccccc23)c1 587364258 ZFHJPLMHACRGLF-UHFFFAOYSA-N 410.473 6.471 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)CC2=O 587467635 FWSCSLRTXDTSHM-SANMLTNESA-N 415.533 6.078 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)c3ccccc31)CC2=O 587474463 HIMJUDFWCVTJMM-VWLOTQADSA-N 423.509 5.351 0 1 HKAF Nc1nc2cc([C@@]3(c4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2o1 587509727 ISJTZLFJFRWBSL-SANMLTNESA-N 410.473 5.198 0 1 HKAF Cc1cc(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN1CCC(C)CC1 587516142 YOHVXMCDBGBUNF-HHHXNRCGSA-N 417.593 6.121 0 1 HKAF C[C@]1(c2ccc(-c3ccc(Cl)cc3)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587531146 JWCLBNBFBQXULH-XMMPIXPASA-N 408.950 6.828 0 1 HKAF CC(C)c1ccc(OCc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587534043 VBPKEJLORZWHFC-AREMUKBSSA-N 416.517 6.567 0 1 HKAF CC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541239 FCLLVNGDWKZGQP-DENIHFKCSA-N 415.272 5.966 0 1 HKAF C[C@]1(c2cc(F)c(Cl)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553997 CGLZZKSJQRZNIQ-GHTZIAJQSA-N 402.780 5.201 0 1 HKAF CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(C)C 587592827 HLRCDNQMOSUBKN-RDGATRHJSA-N 420.461 5.281 0 1 HKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC1CC1 587596930 XIDGLHUCBMTCHL-DHLKQENFSA-N 402.446 5.192 0 1 HKAF CC(=O)c1c(C)cc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587600955 DEMWIQOMGBQLCZ-RCZVLFRGSA-N 402.446 5.223 0 1 HKAF Cc1cc(C)cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 587603419 OJXANZOCLHPOQS-NAKRPHOHSA-N 422.480 6.379 0 1 HKAF Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)F)s1 587623049 XSXCANCQULPYCP-UHFFFAOYSA-N 410.243 5.291 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(F)(F)F)cc2)N1 587709529 AWTFWRJBTOVPFB-BMLIUANNSA-N 418.228 5.153 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OC(F)(F)F)ccc2F)N1 587720293 MJVOKINIHLVBAJ-ZKANADHPSA-N 422.191 5.250 0 1 HKAF COc1cccc(OCc2ccc(-c3nc4c(Cl)ncc(Cl)c4[nH]3)cc2)c1 587780478 APQRKBVFEKHSCZ-UHFFFAOYSA-N 400.265 5.519 0 1 HKAF CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCC)c1 587800048 FDULOAHCIGUTHF-ODXCJYRJSA-N 408.311 5.009 0 1 HKAF Cc1csc2sc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)c12 587854544 CQEQLBKUQGIVOC-JDNHERCYSA-N 410.377 6.105 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2ccccc2)no1 587865830 KYEVVLRBICKVSD-UHFFFAOYSA-N 400.360 5.007 0 1 HKAF COc1cccc(C(=O)c2ccc(-c3nc4c(Br)cccc4[nH]3)cc2)c1 587933303 XUXJZWYJYCNLTO-UHFFFAOYSA-N 407.267 5.232 0 1 HKAF Oc1cc(C2CCCCC2)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 587946401 XLVAJRIYRWYTOT-UHFFFAOYSA-N 407.485 6.356 0 1 HKAF Fc1ccc2[nH]c(-c3cccc(N4CCC(NCc5cccnc5)CC4)c3)cc2c1 618011796 LZGVPADNBBUAHV-UHFFFAOYSA-N 400.501 5.128 0 1 HKAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)s2)N1 962896136 AKGFVBXQNWZRCF-LPHOPBHVSA-N 421.415 5.261 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1cccc(Cl)c1Cl)C(F)(F)F 963231125 QAGVUNBMQRACQX-DJJJIMSYSA-N 402.287 6.456 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1cnccc1C)c1ccc(OC)cc1OC 963237918 HJBYQODMOQRRID-DCFHFQCYSA-N 416.565 5.356 0 1 HKAF Brc1ccc(-c2[nH]ncc2C=C2c3cccnc3-c3ncccc32)cc1 1857547654 BFTJACPTQRXOIB-UHFFFAOYSA-N 401.267 5.199 0 1 HKAF COc1cccc(Nc2ncnc3sc4c(c23)CCN(Cc2ccccc2)C4)c1 1857590334 AFEVSQKCRMUVPS-UHFFFAOYSA-N 402.523 5.002 0 1 HKAF Cc1cc(=O)oc2cc(OCCCCCCCCn3cnc4ccccc43)ccc12 1857649704 YPGJNZPNMZJALV-UHFFFAOYSA-N 404.510 5.871 0 1 HKAF CC(=CCN1[CH]N(C)c2c(N)ncnc21)CC[C@@]1(C)[C@@H]2CCC=C(C)[C@@]2(C)CC[C@H]1C 2356322013 OHUBPGRYFJQQCJ-WSAILGMDSA-N 422.641 5.960 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 2356463162 QTDBKXCBANSXOY-YBHMYCCCSA-N 418.662 5.618 0 1 HKAF C[C@@H](CCCC(C)(C)O)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356504507 UROPIWALBBMYRP-DMDCAHKSSA-N 420.678 5.554 0 1 HKAF CCc1nc2c(OCCC3CCCCC3)cccn2c1N(C)C(=O)c1cccs1 61903632 DPQJZMVOVXOZSU-UHFFFAOYSA-N 411.571 5.584 0 3 HKAF O=C(Nc1ccccc1Cl)c1cc([C@H]2CCCCN2C(=O)c2cccs2)on1 61925561 OYNSEFFXVPZGEU-MRXNPFEDSA-N 415.902 5.009 0 3 HKAF CCc1nc2c(OCC3CCCCC3)cccn2c1N(C)C(=O)c1ccc(C)cc1 61928992 IIIQUEFUKOYHNR-UHFFFAOYSA-N 405.542 5.441 0 3 HKAF COc1ccc2c(CCCCCCCCCCCCCCCCCCO)c[nH]c2c1 3938108 OBBQJSHVPWOGSA-UHFFFAOYSA-N 415.662 7.953 0 1 HKAF C[C@@H]1CC=C[C@@H]2[C@@H](c3ccc(Br)cc3F)N(Cc3ccccc3)C(=O)[C@@H]21 13830013 CIPDVFAPNIGCCR-AZKPVJIOSA-N 414.318 5.500 0 1 HKAF COc1cc(OC)c2c(c1CC=C(C)C)C[C@@H]1[C@@H](C2)c2ccc(O)cc2OC1(C)C 15273920 VDNFSSVVXBUKRX-RBBKRZOGSA-N 408.538 5.588 0 1 HKAF endogenous,in-man CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=C(CCC(C(=O)O)=C4)[C@@H]3CC[C@]12C)C(C)C 28021724 RCMWHBBFUREBAM-FZLIGCFJSA-N 413.602 5.586 0 1 HKAF CN(C)CC[C@@H](NC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 28653905 MWDNWBAEYUTSSR-LJQANCHMSA-N 412.883 5.101 0 1 HKAF Clc1ccc([C@]2(Cn3ccnc3)OC[C@H](c3ccccc3Cl)O2)c(Cl)c1 28768243 BVANVJVABVSZKC-RTBURBONSA-N 409.700 5.484 0 1 HKAF O=C(Nc1ccc2ncccc2c1)C(=O)c1cn(Cc2ccsc2)c2ccccc12 29414022 VXZSGTDWGQPRCQ-UHFFFAOYSA-N 411.486 5.121 0 1 HKAF C[C@H](Nc1cc(-c2ccc3ccccc3c2)nc2ccccc12)[C@@H](O)c1ccccc1 29486298 XISAPCWSOWCRRT-HMILPKGGSA-N 404.513 6.589 0 1 HKAF CC(C)N(CCSC(=O)N1c2cc(F)ccc2Sc2cccnc21)C(C)C 33852430 DIALXUYXGIVTCD-UHFFFAOYSA-N 405.564 5.795 0 1 HKAF CC(C)(C)c1cccc(Nc2noc3c(C(=O)Nc4cncnc4)c(Cl)ccc23)c1 40940362 AFSFJBAKCYEMBU-UHFFFAOYSA-N 421.888 5.565 0 1 HKAF CC(=O)N1CCC[C@H]1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1cccc(F)c1 43073570 JNWABOCNQRJLAV-QFIPXVFZSA-N 416.456 5.240 0 1 HKAF Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccc(OC(F)(F)F)cc1 45367260 UMPLJMWEIIAGEJ-UHFFFAOYSA-N 410.779 5.479 0 1 HKAF O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@H](c1ccccc1)[C@]21CCCCC1=O 49112447 OYVPINFOQJXIJW-VFNZBSSOSA-N 422.528 5.092 0 1 HKAF Fc1ccc(-c2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2-c2ccncc2)cc1 49112684 PPUWBTPEIFQHEJ-UHFFFAOYSA-N 409.508 6.172 0 1 HKAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1nc2cccc(C)c2n1C 58608632 ZWHUHGFRCGCKFH-TZIWHRDSSA-N 424.335 5.864 0 1 HKAF CCCCN(CCCC)c1nc2c(c(-c3c(C)cc(C)cc3C)cn2C)c(=O)n1C 71296469 VQGKPPASWGXVBK-UHFFFAOYSA-N 408.590 5.271 0 1 HKAF COc1ccc(NS(=O)(=O)c2cc(C)c3cc(C(C)C)ccc(C)c2-3)c(OC)c1 72123277 GRTLQZYNZDNLQS-UHFFFAOYSA-N 413.539 5.350 0 1 HKAF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 72136309 IGFYKKMUZDKYHU-UXRWPPICSA-N 403.607 5.055 0 1 HKAF CCCC[C@@H](CC)CNc1nc(N2CCCCCC2)nc2cc(OC)c(OC)cc12 82128483 BINWLFRPAWUJGI-GOSISDBHSA-N 414.594 5.656 0 1 HKAF O=C(c1cnc(N2CCCC2)nc1-c1ccc(-c2ccccc2)cc1)N1CCCCC1 82159318 YTPUNKHXIRDDIU-UHFFFAOYSA-N 412.537 5.037 0 1 HKAF Cc1ccccc1-c1nc(N2C[C@@H](C)C[C@@H](C)C2)ncc1-c1nc2ccccc2s1 82177466 VFMPRFDYCLCOTN-CALCHBBNSA-N 414.578 6.211 0 1 HKAF CC[C@H](C)Cn1c(-c2ccc(C)o2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181272 QGMXFTJMBZTVHM-AWEZNQCLSA-N 409.921 5.706 0 1 HKAF CCCCCn1c(-c2ccc(C)o2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188399 HYPBXAQWEDJXLP-KRWDZBQOSA-N 403.530 5.801 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 83260714 PMWTYEQRXYIMND-MMLKLLJISA-N 404.679 6.439 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@@H]3[C@H]4CC[C@@H]5C[C@H](O)CC[C@@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 95099282 GMBQZIIUCVWOCD-AYMSIWLPSA-N 416.646 5.794 0 1 HKAF biogenic,in-vitro Cc1ccc(SC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 95574970 FGNOCWWBBHQYEX-UHFFFAOYSA-N 418.631 5.779 0 1 HKAF CC(C)CC[C@H](O)[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 95636164 RZPAXNJLEKLXNO-LOQGJCCPSA-N 402.663 6.360 0 1 HKAF CN(C)c1cccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn23)c1 96168195 HWLCVGYVHUCPJW-UHFFFAOYSA-N 421.504 5.504 0 1 HKAF COc1cc(CN(Cc2ccc(SC)cc2)c2ccc3nc[nH]c3c2)cc(OC)c1 96173840 YCSHVGKLFMRYRX-UHFFFAOYSA-N 419.550 5.509 0 1 HKAF CC1(C)CC2=Nc3nc(SCc4ccccc4)nn3[C@H](c3ccccc3)C2=C(O)C1 100704887 KJAORBFMHQPLND-OAQYLSRUSA-N 416.550 5.878 0 1 HKAF Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ncccn1)C2 103227276 GTTLNEWKHRVGCY-BCDXTJNWSA-N 424.375 6.283 0 1 HKAF COc1ccc2c(c1)CCC[C@@H]2Nc1cc(-c2ccc3ncsc3c2)nc(C)n1 141855774 XXISDMCYTFEJSG-IBGZPJMESA-N 402.523 5.560 0 1 HKAF CCc1cncc(C2=CC[C@H]3[C@@H]4CCC5=CC(=O)N(C)CC[C@]5(C)[C@H]4CC[C@]23C)c1 169210427 HIOXXZQPXGLNML-FMYYWVMOSA-N 404.598 5.668 0 1 HKAF C[C@H](c1cccc2ccccc12)N1CCC(C(=O)NCCc2cccc(F)c2)CC1 169312135 QARSYYQVQAJWSB-LJQANCHMSA-N 404.529 5.111 0 1 HKAF COc1ccc2cc(CC[C@H](C)OC(=O)c3cc(OC)c(OC)c(OC)c3)ccc2c1 169333137 KGLMTJQWQUXBDY-INIZCTEOSA-N 424.493 5.052 0 1 HKAF Cc1ccc(CCC[C@H](C)c2cc(O)c3c(c2)OC(C)(C)C2=C3C[C@H](C)CC2)cc1 169343234 AODDJPHHPOFQBO-UXHICEINSA-N 404.594 7.572 0 1 HKAF Cc1cc(-c2cccc(F)c2)cc(CNc2c(C)ccc(OCC(=O)O)c2C)c1F 218843371 VUBLENMWXNJCFL-UHFFFAOYSA-N 411.448 5.633 0 1 HKAF C[C@H]1CC(=O)[C@](C)(CCC(=O)O)[C@H]2CC[C@]3(C)[C@H]([C@H](C)CCC(=O)O)CC[C@@H]3[C@@H]12 253648073 VKFJUKMHHGHLBA-FKNFJHBZSA-N 406.563 5.026 0 1 HKAF Oc1ccc(-c2ccc(OCc3ccc4ccccc4c3)cc2)c(-c2ccccc2)n1 473157237 UJJKVSVLDDOWTK-UHFFFAOYSA-N 403.481 6.853 0 1 HKAF CCc1nc2ccccc2n1CCCCSc1nnc(-c2ccc(Cl)cc2)o1 473249368 VRFIWMONRFOOID-UHFFFAOYSA-N 412.946 5.875 0 1 HKAF Cc1ccc2ccccc2c1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586883766 NHLJDAHDHAKFKP-UHFFFAOYSA-N 405.217 6.473 0 1 HKAF Cc1ccc(Br)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586984076 GVTBPBVDNPORJE-UHFFFAOYSA-N 416.274 5.890 0 1 HKAF CCCCCc1c(-c2ccc(O)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990456 FRUWUUIKSMMMPO-UHFFFAOYSA-N 409.485 6.257 0 1 HKAF Fc1cc(F)c2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2c1 586998570 MVFLFZFHLGCDCP-VURMDHGXSA-N 401.210 6.034 0 1 HKAF Cc1cc(F)c2[nH]c([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)nc2c1 587031680 PBLOJQOHHGDZJK-NGPAHMQLSA-N 402.520 5.137 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncc(Br)cc4[nH]3)c21 587031934 WURCGCMEVUANFS-LLVKDONJSA-N 413.344 5.679 0 1 HKAF N[C@@H](Cc1ccccc1Cl)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587058562 GLYDALLOERDHSO-LBPRGKRZSA-N 418.644 5.240 0 1 HKAF CC(C)(C)c1ccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2n1 587060665 RCPHLYTYLNGECC-UHFFFAOYSA-N 412.924 6.791 0 1 HKAF Cc1c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587076638 YBTSEIAUYBOYSS-UHFFFAOYSA-N 408.836 5.989 0 1 HKAF Cc1cc(Br)cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587101767 MFQDLTWRQHLRCY-UHFFFAOYSA-N 400.275 6.184 0 1 HKAF CCOC(=O)[C@H]1C[C@H](C(C)(C)C)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587107290 RSHUQHRYAKFDLD-QRWLVFNGSA-N 413.517 5.701 0 1 HKAF CC(C)COc1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1Br 587150293 BXXGYDSTTQNRCX-CHWSQXEVSA-N 421.285 5.910 0 1 HKAF CCCc1nc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)nn1-c1ccccc1F 587156729 QWSDHDVUBALSKY-UHFFFAOYSA-N 407.346 5.060 0 1 HKAF Fc1ccc(/C=C(\c2nc3ccc(F)c(Br)c3[nH]2)c2cccs2)cc1 587163831 LQYUOQJMAMQHJG-RAXLEYEMSA-N 417.278 6.254 0 1 HKAF Cc1cc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2cc1Br 587167144 NSHPDOWMDHRJRQ-KRWDZBQOSA-N 417.282 5.142 0 1 HKAF FC(F)(F)c1ccc2nc(-c3cc(I)ccc3Cl)[nH]c2c1 587183207 SIMUAVKOTSCOSY-UHFFFAOYSA-N 422.575 5.507 0 1 HKAF CC(C)CCOc1cc2nc(/C=C\c3ccc(N)cc3)[nH]c2cc1Br 587252348 YNAADBJNZVPCJP-YVMONPNESA-N 400.320 5.503 0 1 HKAF C[C@]1(c2ccc3c(c2)CCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351794 HFPMALSJXNQVMR-AOYPEHQESA-N 402.465 5.684 0 1 HKAF COc1cccc(-c2cc(-c3c(O)cc(F)cc3F)nc3c2oc2ccccc23)c1 587358399 ATCVUYNPSXJBEA-UHFFFAOYSA-N 403.384 6.307 0 1 HKAF CCc1nn(CC)c2c1-c1nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c1CC2 587362906 JJOOWCVLZJUJPQ-UHFFFAOYSA-N 423.516 6.201 0 1 HKAF O=C1C[C@@H](c2ccc(OCc3ccccc3Cl)cc2)Oc2c1ccc1c2CCCC1 587503776 GLYKWSVEEUHQPP-VWLOTQADSA-N 418.920 6.504 0 1 HKAF CN(C)/C=C/[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587507484 MFMLTEZKZXHMDS-OTOIZHKDSA-N 415.455 5.520 0 1 HKAF CCOC(=O)[C@@H](C(C)C)[C@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587524307 MDMVEWXCICAKPE-SQHAQQRYSA-N 420.549 5.347 0 1 HKAF CCc1ccc(OCc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587533551 RCIDJPRDUXTISJ-RUZDIDTESA-N 402.490 6.006 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)(F)F)c(F)c1 587555002 KBXKJPLAPBOIJI-YLJYHZDGSA-N 420.314 5.133 0 1 HKAF C[C@@]1(c2cnc(-c3ccccc3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609971 FEUARDXLEVXHLW-YKSBVNFPSA-N 415.470 5.393 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC1(CCCC1)Oc1ccccc12 587610896 RBGOLQKLHVVSAT-BKMJKUGQSA-N 414.457 5.345 0 1 HKAF C[C@@]1(c2sccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614632 TXYLAFWKDLOSIK-HNAYVOBHSA-N 417.280 5.093 0 1 HKAF COc1ccc2occ([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 587616865 NAMBAGAAOZDEGK-QPPBQGQZSA-N 402.402 5.024 0 1 HKAF Oc1nccc2c(Oc3c(-c4ccccc4)[nH]c4ccc(F)c(Cl)c34)cccc12 587632271 IPPKPQDTHJNKQM-UHFFFAOYSA-N 404.828 6.674 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(Cl)ccc2C(F)(F)F)N1 587710682 HCJRKERQUDWGMW-JKYUHCHBSA-N 423.635 5.279 0 1 HKAF CCCOc1c(C)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587794110 ODZUBZWTSIMINH-VLIAUNLRSA-N 406.339 5.617 0 1 HKAF CCOc1cc2c(cc1[C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)CCC2 587801154 JDAPUTDUUGUGPV-LAJNKCICSA-N 404.323 5.099 0 1 HKAF CCCc1ccc(OCC)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587801572 LTGRIUIGVVXWNH-ZSEKCTLFSA-N 406.339 5.563 0 1 HKAF COc1cccc([C@@]2(C(C)(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587812234 YUPCPAAJQNBFBI-YEJXKQKISA-N 406.339 5.421 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CNc1ccc(C)cc1C 587864171 GCWVSEGAQOHZAJ-UHFFFAOYSA-N 417.431 5.337 0 1 HKAF CC(C)Cc1ccc([C@@H](C)C(=O)NCCCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 653779452 JUTXDMYMFUTCGU-HXUWFJFHSA-N 422.613 5.821 0 1 HKAF COc1cc2c(cc1OC)CN(CCCCn1cc(CCF)c3ccccc31)CC2 653787767 VXHOWPXWYPZLHP-UHFFFAOYSA-N 410.533 5.009 0 1 HKAF O=C(O)c1ccc([C@H]2NCCc3cc(-c4ccccc4)ccc32)c(Br)c1 962660266 HTAIFKUIBPENCO-NRFANRHFSA-N 408.295 5.049 0 1 HKAF COc1ccc(CCN(C)CCCN2Cc3ccccc3CCc3ccccc32)cc1 1857744815 JMMJWQAOLQYETA-UHFFFAOYSA-N 414.593 5.365 0 1 HKAF CC(=O)CCc1c(-c2ccccc2Cl)oc2cc3c(c(O)c2c1=O)C=CC(C)(C)O3 1857762242 VIZNWWHQOHUKEJ-UHFFFAOYSA-N 424.880 5.525 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356399680 DGJHBFBQAQKVKB-AGAXSYPHSA-N 414.718 7.737 0 1 HKAF CC(C)[C@@H](C)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356399683 DGJHBFBQAQKVKB-VTCXRKRASA-N 414.718 7.737 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)CCC[C@]4(C)[C@H]3CC[C@]12C 2356517231 BPZOUHWJXJNACU-GALOUQHOSA-N 400.735 8.990 0 1 HKAF CCC(CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)=C(C)C 2356553496 CJSJAHSQZQIOPX-ZUZBAXIESA-N 414.718 8.169 0 1 HKAF C[C@@H]1c2ccoc2C[C@@H]2[C@@H]1CC[C@]1(O)C(C)(C)[C@@H](OC(=O)c3ccccc3)CC[C@]21C 2356584494 GHDYDSFLVJFLBO-NTSVZZDDSA-N 422.565 5.748 0 1 HKAF CCC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]1CC[C@@H]1[C@@H]2CC=C2C[C@H](O)CC[C@]21C)C(C)C 2356653591 LPKGEXRCVBMHFE-YJLODRQASA-N 414.718 8.025 0 1 HKAF CC(C)=CCC[C@@]1(C)C=Cc2c(cc(O)c3c2O[C@@H](c2ccc(O)cc2)CC3=O)O1 13379912 VSBUTPUUSVOZDI-BWKNWUBXSA-N 406.478 5.715 0 1 HKAF biogenic O=C(Nc1cc(Cl)c(Cl)c(Cl)c1)c1cnc(Cl)nc1C(F)(F)F 13555208 SVKUGLALKUKGHJ-UHFFFAOYSA-N 404.990 5.361 0 1 HKAF O=c1c(-c2cccc(Cc3cccc4ccccc34)c2)c(O)[nH]c2cc(Cl)ccc12 13775734 RXRCICRWKSHJNZ-UHFFFAOYSA-N 411.888 6.298 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)Nc1c(C)cccc1C 26166815 ROTYQESSTCKJDG-LRKAYDMASA-N 405.626 8.164 0 1 HKAF Cc1cc(C)cc(-c2c(OC[C@H]3CCCCN3C)c3ccc(Cl)cc3[nH]c2=O)c1 26578852 KFJHOKALLLCAHV-LJQANCHMSA-N 410.945 5.328 0 1 HKAF C[C@H](C(=O)OCC(=O)c1ccccc1)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27556066 QPPLHRWKCMWRRN-PWIZWCRZSA-N 422.546 5.311 0 1 HKAF C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2SCc1ccccc1 27978642 NWMGPUGOYGLKPO-UGFNJNLGSA-N 408.607 5.567 0 1 HKAF CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5c(c4)OCO5)c3c2C)cc1 28567961 PMZRASGUDPGDJD-UHFFFAOYSA-N 416.481 5.217 0 1 HKAF Cc1cc(C)c2oc(-c3ccc(NC(=O)COc4cccc(Cl)c4)cc3)nc2c1 29049972 VVPUCUGDURQRLD-UHFFFAOYSA-N 406.869 5.783 0 1 HKAF CCc1cccc2c(OC)c(-c3occ(C)c3COC(=O)CCN(CC)CC)ccc12 66101087 PJCBTRWRLSQLMJ-UHFFFAOYSA-N 423.553 5.754 0 1 HKAF Cc1oc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccccc2)nc1-c1ccccc1 82162968 BKXWKPXFHYAHHX-KDURUIRLSA-N 424.548 6.256 0 1 HKAF CCc1cnc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc(F)cc2)s1 82164348 TWTXZHHNGXCRQA-UHFFFAOYSA-N 424.932 6.234 0 1 HKAF O=C(Nc1cccc(C(=O)OCc2ccccc2)c1)NC12CC3CC(CC(C3)C1)C2 84759468 XEVKFQCZJYMGFM-UHFFFAOYSA-N 404.510 5.134 0 1 HKAF O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc(Cl)ccc31)c1ccccc1CO2 100641905 LDTIDRICEJQBQB-DJKKODMXSA-N 416.864 5.412 0 1 HKAF N#Cc1ccc(COc2ccc3c(c2)cc2n3CC[C@@H]2CC(=O)O)cc1C(F)(F)F 117797590 YYYIRGICSGJFRZ-CQSZACIVSA-N 414.383 5.073 0 1 HKAF CC(C)[C@@H](C)[C@@H](C)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118924025 KTGGCSVZUGUIFS-GNFRWFFXSA-N 416.734 7.961 0 1 HKAF Cn1cc(Br)c(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)n1 137133463 WUXIUWVNTUGRFA-UHFFFAOYSA-N 405.683 5.147 0 1 HKAF Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc3occc3c2)n1 141955541 PHTCUAIDYDPIEJ-MRXNPFEDSA-N 409.493 5.772 0 1 HKAF CO[P@@](=O)(Nc1cc(-c2ccc(F)cc2)sc1C(=O)O)c1ccc(C)cc1C 149031912 RHLPZOQCCIGQLG-HHHXNRCGSA-N 419.414 5.446 0 1 HKAF O=C(O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)cc1 169333670 DTNOBSUPIZLBQI-UHFFFAOYSA-N 410.429 5.043 0 1 HKAF CC(C)(C)CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 169711151 ISELLYVTONRQOI-GRGXKFILSA-N 424.629 6.114 0 1 HKAF CC(C)c1ccc(Oc2ccc(NC(=O)C[C@H](CC(=O)O)c3ccccc3)cc2)cc1 217071512 GVPVRFWYZLQQFM-OAQYLSRUSA-N 417.505 6.189 0 1 HKAF c1cnc(O[C@H]2CC[C@H](Nc3ccc4ccccc4n3)CC2)c(C2CCOCC2)c1 261106300 HMSDHLOVHPXKJR-MEMLXQNLSA-N 403.526 5.326 0 1 HKAF CCC/C(=C\Cl)CCCC(=O)N[C@H](C)C[C@H](C)C(=O)[C@H](C)CC/C=C/Cl 299811430 OEEXJHFQVSGEBK-CQRLTCERSA-N 404.422 6.348 0 1 HKAF C=Cc1ccc(-c2nc3cc(S(=O)(=O)Nc4ccc(Cl)cc4)ccc3[nH]2)cc1 586879084 DNTRTZWWILWYTJ-UHFFFAOYSA-N 409.898 5.327 0 1 HKAF CCC[C@@H](OC)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586989599 LXEDYZALSJSUJQ-XMMPIXPASA-N 409.485 6.306 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@H](NC(=O)OC(C)(C)C)CCC4)-c1ccccc1C2=O 586995440 GZQKCAJNOFSGHW-LJQANCHMSA-N 414.505 5.657 0 1 HKAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)s1 587013956 DQEQJRCSIFMSJX-QMMMGPOBSA-N 405.829 5.644 0 1 HKAF Cc1cc(Br)c2[nH]c(Cc3csc(NC(=O)OC(C)(C)C)n3)nc2c1 587019658 SLKVEEKLKSRTQZ-UHFFFAOYSA-N 423.336 5.028 0 1 HKAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cs1 587019677 UBDXUBABWPLTAA-UHFFFAOYSA-N 416.400 5.115 0 1 HKAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 587041101 CWIFYGPELKEZME-MRXNPFEDSA-N 422.337 5.156 0 1 HKAF COc1cccc(-c2ccc(-c3nc4ccc(Br)nc4[nH]3)c(Cl)c2)c1 587051955 HBHPATGYCGSXPR-UHFFFAOYSA-N 414.690 5.716 0 1 HKAF CCN1C(=O)C[C@@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)[C@@H]1c1ccccc1Cl 587062673 ZXTBZGBIAAFAAE-XIKOKIGWSA-N 423.822 5.192 0 1 HKAF Cc1c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587074307 RSHRCTQPADDMPC-UHFFFAOYSA-N 415.884 5.624 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(F)c(C)c2[nH]1 587086051 DAPATWNUSQOOKX-JXMROGBWSA-N 415.299 6.041 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587235473 NUAQCSYPMITCQE-RTBURBONSA-N 419.525 5.345 0 1 HKAF C/C(=C\[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)N(C)C 587333088 FVRVRBAJORKUIQ-GXIGGFATSA-N 417.480 5.251 0 1 HKAF COc1cccc(-c2cc(-c3cc(Cl)ccc3Cl)nc3c2oc2ccccc23)c1 587358855 USVAHOHVFCBVHE-UHFFFAOYSA-N 420.295 7.630 0 1 HKAF COc1cccc(-c2c(C(C)C)c(CC(=O)CC(C)C)nc3c2oc2ccccc23)c1 587365778 OZXXTIGTTKFNDU-UHFFFAOYSA-N 415.533 6.938 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-c3ccc(C(=O)O)c(Cl)c3)cc1)O2 587375393 MFEMWJDUPBFKNM-DEOSSOPVSA-N 421.880 5.476 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C[C@H]1CC[C@@H](C(=O)O)C1)(c1ccccc1)CC2=O 587480063 FAIQXKHHDBEYNK-QLODZENZSA-N 408.494 5.096 0 1 HKAF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587499876 NNVSPMMAVWTIMN-HXUWFJFHSA-N 423.896 5.583 0 1 HKAF CC[C@H](C(=O)O)n1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587516757 WERFWOADBPSGOI-RLWLMLJZSA-N 417.505 5.436 0 1 HKAF O=C1C[C@@](c2ccco2)(c2coc3ccc(O)cc23)Oc2c1ccc1c2CCCC1 587529396 BGMMZYQBHHJFAR-VWLOTQADSA-N 400.430 5.519 0 1 HKAF Cc1ccc([C@H](O)[C@@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587530891 WJSIYRDHRPFXOT-NSOVKSMOSA-N 412.529 5.777 0 1 HKAF CCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC 587599751 ZUEIBKYBCPSDSM-DHLKQENFSA-N 420.461 5.283 0 1 HKAF COc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599884 IPIMZXAYFCKHNB-RPLLCQBOSA-N 424.452 5.306 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2cccs2)s1 587613105 NNHYOBWTAVSSQA-PXNSSMCTSA-N 407.472 5.280 0 1 HKAF CSc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 587613609 OCKDVXMWOLMGMX-UGKGYDQZSA-N 412.894 5.645 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(Cl)c(Cl)c2)N1 587693358 NGBSLVUTQZDHLA-QZTNRIJFSA-N 423.540 6.172 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(Cl)c2Cl)N1 587695108 NBBMBKWSVDMMGU-HUTHGQBESA-N 403.122 5.693 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3cccc(Cl)c3)c2)N1 587700011 LFVMEYCXRLBCRU-NSPYISDASA-N 420.713 5.051 0 1 HKAF CC[C@@]1(c2c(F)cccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 587714691 BADQAWPYGIHZFE-MLCYQJTMSA-N 400.694 5.569 0 1 HKAF C[C@H]1C[C@@]2(CCN1Cc1ccccc1)N[C@H](C)Cc1cc(Br)c(F)cc12 587762753 UPGUVFYXSDQODU-ZMPRRUGASA-N 417.366 5.002 0 1 HKAF Cc1cnc2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc2c1 587783554 CEKCOFWVLIUHQG-UHFFFAOYSA-N 405.501 6.103 0 1 HKAF Cc1onc(-c2ccccc2)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587790959 DHAAWXJNMNDLOG-QKVFXAPYSA-N 415.306 5.349 0 1 HKAF CC[C@]1(c2ccc([C@@H](C)OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795654 SAHRMLSGYIQKGD-PXIJXODZSA-N 406.339 5.483 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sccc2Br)N1 587846953 VLDOJVOLCCESTK-UHLUBPPHSA-N 405.130 5.036 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccsc3)cs2)N1 587850289 YIXPSICFAMDPCQ-XTZNXHDOSA-N 408.361 6.002 0 1 HKAF Cc1ccccc1-c1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 587851239 HVIHCBBPDLGPBU-BLVKFPJESA-N 417.347 5.644 0 1 HKAF COc1ccc(/C=C/Cc2nc3cccc(OCc4ccccc4)c3[nH]2)c(OC)c1 587931222 ZSYNDBCKCUWUHY-UXBLZVDNSA-N 400.478 5.415 0 1 HKAF COc1ccc2c(c1)C[C@H](c1nc3cc(OC(C)C)c(Br)cc3[nH]1)CC2 587934625 KKRHGHUOXFZFFK-CQSZACIVSA-N 415.331 5.394 0 1 HKAF CC(C)(C)c1ccc(-c2cc(O)n(-c3cccc(Br)c3N)c2O)cc1 587936323 IBMPFWQKVLBVPS-UHFFFAOYSA-N 401.304 5.198 0 1 HKAF COc1c(Cc2ccccc2)cc(O)n1CCOc1cc(C)c(Cl)cc1C(C)C 587943029 IVFANGQWQQURJW-UHFFFAOYSA-N 413.945 5.957 0 1 HKAF Fc1ccc([C@@H](CCn2c(-c3ccccc3)ccc2-c2ccccc2)c2ccco2)cc1 587946004 RHPIYQJLMFTQNH-AREMUKBSSA-N 421.515 7.776 0 1 HKAF Brc1cccc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)c1 962628337 AHTMZBYPAPFDMQ-VWNXMTODSA-N 419.366 5.285 0 1 HKAF COc1cc2c(cc1OC)[C@H](c1cc(C)c(Br)c(C)c1)N(C)[C@H](C)C2 962641414 SEJODRMKMSMQIV-SZNDQCEHSA-N 404.348 5.049 0 1 HKAF COc1ccc(-c2csc([C@@H]3NCCc4c3c(C(C)C)nn4C)n2)c2ccccc12 962917763 GMMLYSMAUXRKIS-HSZRJFAPSA-N 418.566 5.064 0 1 HKAF C[C@@]1(c2ccc(Oc3ccccc3)cn2)c2ccsc2CCN1Cc1cccnc1 962997182 KOWLKZZLRVYGFP-VWLOTQADSA-N 413.546 5.652 0 1 HKAF CC(C)c1ccccc1NC(=O)Nc1nc([C@H](N)Cc2ccc(Cl)cc2)cs1 1857577012 SGWJADXELIMKQT-QGZVFWFLSA-N 414.962 5.806 0 1 HKAF COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(-c4csc(=N)[nH]4)c(C(C)C)cc3CC[C@H]21 1857589942 PXRAVJLNBCUJIF-AGILITTLSA-N 412.599 5.529 0 1 HKAF O=C(Nc1ccccc1)C1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 1911583073 UUJIDLDOAFRLPX-UHFFFAOYSA-N 406.476 5.405 0 1 HKAF CC(C)[C@H](C)[C@H](C)C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356445222 YWMIDHFXAUEUTC-DGMNRHSNSA-N 414.718 7.881 0 1 HKAF CC(=CCCC=C(C)CCC=C(C)CCCC(C)C)CCC=C(C)CCCC(C)C 2356670807 COCRTLOZHDPILP-UHFFFAOYSA-N 414.762 10.765 0 1 HKAF CC1=CC[C@H]([C@]2(C)CCC[C@]3(C)[C@H](CCc4ccoc4)[C@@](C)(O)CC[C@@H]32)OC1=O 2356848763 PIHBWQGVQVWLPT-MAAXEKJRSA-N 400.559 5.448 0 1 HKAF Clc1cccc(CN(CCCN2CCCCC2)c2cc(-c3ccccc3)no2)c1 13437417 CKTLGZYHTUVQKA-UHFFFAOYSA-N 409.961 5.878 0 1 HKAF Oc1ccc(-n2cc(-c3ccc(O)cc3Cl)nc2-c2ccc(O)cc2Cl)cc1 13674393 HZOJRKQNFXRROG-UHFFFAOYSA-N 413.260 5.630 0 1 HKAF Nc1[nH]nc2nnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)c12 13674776 ZOPKPTUBCIMWOZ-UHFFFAOYSA-N 423.320 5.307 0 1 HKAF Cc1c(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2cccc3c2n1CCC3 13740404 CLWCIKMYCBQTMZ-UHFFFAOYSA-N 404.529 5.172 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(C)c1)Oc1ccc(Cl)cc1-3 13777182 ZSTHFTOZNBONIT-VWLOTQADSA-N 401.937 7.405 0 1 HKAF CCCc1c(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)ccc2c(C)noc12 14977225 NUTUSSDZMGFKKF-SFHVURJKSA-N 423.509 5.441 0 1 HKAF Cc1cccc(CN2CCC(N3C(=O)Nc4ccccc4[C@H]3c3ccccc3)CC2)c1 28568034 ZQMKSWHKOUADSE-AREMUKBSSA-N 411.549 5.597 0 1 HKAF Oc1cc(OCc2ccc3ccccc3n2)ccc1[C@@]1(c2ccccc2)C[C@H]2CC[C@@H]1C2 29040862 KNYWUTUCLAODJW-YOLRXJNRSA-N 421.540 6.626 0 1 HKAF Cc1cc(Nc2nc(Sc3ccc(Cl)c(Cl)c3)nc3ccccc23)n[nH]1 34341021 DXMLBGPNBMGQFP-UHFFFAOYSA-N 402.310 5.863 0 1 HKAF Fc1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccccc2Cl)cc1 40861331 RGQJDOMXMZANLJ-UHFFFAOYSA-N 404.794 6.563 0 1 HKAF Cn1c(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2cccs2)nc2ccccc2c1=O 40865424 UKVIVIIAPCXOOH-LJQANCHMSA-N 420.925 5.004 0 1 HKAF Cc1ccc(C2=NO[C@H](COCc3nnc(-c4ccc(Cl)cc4Cl)o3)C2)cc1 45286614 FPMRBRGJARWHCS-HNNXBMFYSA-N 418.280 5.062 0 1 HKAF c1ccc(-c2cnc(-c3cnc(NC[C@H]4CCCO4)nc3-c3ccccc3)s2)cc1 82162812 SYKGOAJPYLZIOQ-LJQANCHMSA-N 414.534 5.525 0 1 HKAF C[C@H]1C[C@H](C)CN(c2ncc(-c3nc4ccccc4s3)c(-c3ccccc3)n2)C1 82162992 XEAZWAPYNVDWGD-IRXDYDNUSA-N 400.551 5.903 0 1 HKAF CCc1cnc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccc(F)cc2)s1 82164058 UHZPYUWBKBXDGM-UHFFFAOYSA-N 422.504 5.762 0 1 HKAF Fc1ccc(-c2cn(-c3c(Cl)cc(Cl)cc3Cl)nc2-c2ccncc2)cc1 84632633 VUISWODXQKDVMP-UHFFFAOYSA-N 418.686 6.701 0 1 HKAF Oc1ccc(-c2noc(-c3ccc(O)cc3)c2/C=C/c2cccc(C(F)(F)F)c2)cc1 84687521 VDPZWQPTVKHFJD-YIXHJXPBSA-N 423.390 6.609 0 1 HKAF C[C@H]([C@@H](O)CCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 95574307 UUOLNXWPAFDHLX-LQRJMIEMSA-N 418.662 5.474 0 1 HKAF COc1cc2c(cc1OC)CN(Cc1coc(-c3ccc4cc(F)ccc4c3)n1)CC2 95587715 OFXATVLPMVZUOA-UHFFFAOYSA-N 418.468 5.209 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 95625932 OYXZMSRRJOYLLO-QDAKJXEVSA-N 402.663 6.360 0 1 HKAF in-man CCC/C=C/C[C@H]1C/C=C\C=C(C)/C=C\C=C/[C@H](O)[C@H](O)/C=C(C)\C=C/C=C\C(=O)N1 100305362 ALYLZDHKQZUVDF-IKRSZYKUSA-N 423.597 5.017 0 1 HKAF in-vitro CCOC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@@H]1c1ccc(OC)c(OC)c1 103232731 QCZALIHDCFXXIK-HSZRJFAPSA-N 404.462 5.218 0 1 HKAF O=C(CSc1nnccc1-c1cccc2ccccc12)Nc1ccccc1Cl 103300169 QEHFHTNJOFEOIO-UHFFFAOYSA-N 405.910 5.681 0 1 HKAF Cc1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4Cl)CC(O)=C32)s1 103921302 IHTLIVPFMODOLO-MYYSRTQBSA-N 420.965 7.339 0 1 HKAF CCC[C@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(Cl)cc1)CCCC3 113123724 MFPYBIOEWILXBZ-KRWDZBQOSA-N 413.970 6.772 0 1 HKAF O=C(O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(Cl)c(C(F)(F)F)c3)cc21 117524166 RTUNBEZDQHTOCR-GFCCVEGCSA-N 423.818 5.924 0 1 HKAF CCC[C@H](Nc1cncc(-c2ccc(CN3CCCCC3)cc2)n1)c1ccccc1 136508646 MKHOOWPMOHSPHU-DEOSSOPVSA-N 400.570 6.083 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCCC(=O)N1Cc1cccc(-c2ccccc2)c1 140695348 MXAFQLDZSLKFSZ-HSZRJFAPSA-N 415.533 6.015 0 1 HKAF C[C@H]1CCC[C@H](NC(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 143236788 JUQNLOMOUWTRQC-HKUYNNGSSA-N 402.498 5.321 0 1 HKAF CC(=O)N(C)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 152990054 DNVZSDMHLPWULM-KZEXSAFZSA-N 400.651 5.362 0 1 HKAF COc1cncc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-c2ccccc2)c1 167577537 QDTOQTLRGNQRRC-OAQYLSRUSA-N 402.494 5.020 0 1 HKAF CC(C)c1[nH]nc2c1[C@H](c1ccccn1)N(c1ccc(-c3ccsc3)cc1)C2=O 169696951 ZLTKSWVKSNFZRX-QFIPXVFZSA-N 400.507 5.406 0 1 HKAF C[C@H]1CC[C@]2(CC[C@]3(C)[C@@H](CC[C@H]4[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]43C)[C@H]2C)[C@@H]1C 238766452 STBQSLVECPYIEP-UACPZPFXSA-N 412.746 9.134 0 1 HKAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(Cl)cc(Cl)c2[nH]1 587002071 JEDPLTPVBFUZKQ-ZDUSSCGKSA-N 424.129 5.356 0 1 HKAF Cc1cc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c2cc1Br 587014490 MCQRMXJQPNHXEA-UHFFFAOYSA-N 418.747 6.386 0 1 HKAF Clc1ccc(-c2cc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)ccc2Cl)cc1 587048526 WYAUNDVZMMLJFL-UHFFFAOYSA-N 409.103 6.906 0 1 HKAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(OCc3ccccc3)cccc2[nH]1 587151408 ZDUKDOFUVOBKLX-UHFFFAOYSA-N 416.431 5.488 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(C(F)(F)F)cc3[nH]2)c(Cl)c1 587159953 ZIUHGHILINVQMA-LJQANCHMSA-N 420.793 6.543 0 1 HKAF O=C(c1ccc(Br)cc1Br)c1coc2ccc(Cl)cc12 587275706 DWNNLDAOPIFWBD-UHFFFAOYSA-N 414.480 5.842 0 1 HKAF CC1(C)[C@H](Oc2ccccc2)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587348905 AZSWIHOQXPUAEF-UMFSSWHCSA-N 418.464 5.507 0 1 HKAF CC(C)Cc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587351102 GAYGZDHWVZPGIJ-AHWVRZQESA-N 404.481 6.004 0 1 HKAF COc1cccc(-c2cc(CCNC(=O)OC(C)(C)C)nc3c2oc2ccccc23)c1 587360976 SMVBCCQEQJRJJE-UHFFFAOYSA-N 418.493 5.724 0 1 HKAF COC(=O)c1cc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cn1C 587362274 GIXBNQPVAFTEHJ-UHFFFAOYSA-N 412.445 5.449 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCc1ccccc1Br)(C(C)(C)C)O2 587376169 HYXFLJWDUAEPMQ-QFIPXVFZSA-N 416.359 5.723 0 1 HKAF COc1cc(CCCC(F)(F)F)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587380458 FFGGDNQHERYQGE-GOSISDBHSA-N 423.431 5.186 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1cc(Cl)ccc1Cl)[C@@H](C2)C3=O 587421843 NGVOTTVCGAHSQW-QKKBWIMNSA-N 400.261 5.281 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3c(Br)cccc13)CC2=O 587461037 VYZZGTRAUCYRHU-GOSISDBHSA-N 400.272 5.295 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(C=C(c3ccccc3)Oc3ccc(C)cc31)CC2=O 587490952 MNUMLCDFXHYKLJ-HHHXNRCGSA-N 412.485 5.947 0 1 HKAF Cc1ccc(Cn2nc(C)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2Cl)cc1 587497722 GGRYODRNQPJAJD-JOCHJYFZSA-N 420.940 5.787 0 1 HKAF COc1ccc(-c2ccccc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594278 NWAPMEFDJNSDID-SQHAQQRYSA-N 424.452 5.771 0 1 HKAF COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1c(Cl)ccc(F)c1Cl 587628857 AVWSNMKHOXTGOF-UHFFFAOYSA-N 418.610 5.424 0 1 HKAF CCOC(=O)c1c(-c2cc(F)c(F)c(OC)c2F)[nH]c2ccc([C@@H](C)CC)cc12 587640024 BDMIXTIMVYQYQW-NSHDSACASA-N 405.416 5.951 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccccc3Cl)no2)N1 587695352 JDXKTAUGTQICPE-DGIBIBHMSA-N 421.697 5.520 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(C(F)(F)F)N1 587700295 AHAPQHXMBPQAHS-XIKOKIGWSA-N 416.256 5.513 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ccc(F)cc3)n2)N1 587735362 PNAFVENXGKPNTN-MLCYQJTMSA-N 421.310 5.474 0 1 HKAF Cc1ccc(-c2nc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)co2)cc1 587775923 UZMJWZJKXNTONO-HXPMCKFVSA-N 401.279 5.175 0 1 HKAF Cc1ccc(-c2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)no2)cc1 587790541 CKFDDVRXIAOEPF-YUNKPMOVSA-N 401.279 5.175 0 1 HKAF COc1ccccc1-c1cc(O)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1O 587943041 JTRRTOUYRLLOFW-UHFFFAOYSA-N 415.917 5.739 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c(C)ccnc2[nH]1 587958750 HTWFRIYBZHBVNT-XKPMTSFDSA-N 417.641 8.121 0 1 HKAF COC[C@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2nnsc2C(C)C)c1 653666580 HWJNKRQKRCOPJK-INIZCTEOSA-N 409.555 5.069 0 1 HKAF Brc1cccc(-c2nnc(/C=C/c3ccc(Br)s3)o2)c1 653782483 IPWIDZWJUDNSSG-FNORWQNLSA-N 412.106 5.494 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]12CCCc1cccc(N)c12 961774165 GFJDDUXHZYJAMS-SANMLTNESA-N 419.569 5.000 0 1 HKAF Cc1nc(-c2ccccc2)sc1[C@@]1(C)c2ccsc2CCN1Cc1cccn1C 962376334 VVZAQLRKXDCWIT-XMMPIXPASA-N 419.619 5.840 0 1 HKAF CC(C)c1ccc([C@]2(c3cccnc3)NCCc3cc(-c4ccccc4)ccc32)cc1 962676290 YQGJCVVQUXABQI-GDLZYMKVSA-N 404.557 6.310 0 1 HKAF Cc1nn(CC(C)C)c(Cl)c1[C@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962711808 PXBSROUDVPNUMO-MGPUTAFESA-N 407.986 5.093 0 1 HKAF CSc1ccc(CC[C@@]2(C3CCCC3)NCCc3c(Cl)cc(Cl)cc32)cc1 963117351 YNHQKGAQOOGKOO-QHCPKHFHSA-N 420.449 6.879 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC(=O)C(F)(F)F)c1ccc(C(C)C)cc1 963230809 AUORGSINYSGDED-KOSHJBKYSA-N 417.515 6.232 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1ccccc1N1CCC(C(=O)OCC)CC1 963238145 HWIAHHMPRMXVPI-FQRUVTKNSA-N 420.597 5.212 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@]2(CCc1c(C)cccc1C)C1CCCCC1 963272325 ZRPRLXZCMKOJJP-SANMLTNESA-N 412.017 6.520 0 1 HKAF COc1cccc([C@]2(c3ccc(C)cc3)c3cccc(Br)c3CCN2C)c1 963288481 BTKNAZYHGSXVSF-XMMPIXPASA-N 422.366 5.546 0 1 HKAF Cc1ccc2nc(-c3ccc(F)cc3)c(OCCNCc3ccc(C)c(F)c3)n2c1 1772593973 YFRUJRBCQQYJNT-UHFFFAOYSA-N 407.464 5.065 0 1 HKAF CN1CC[C@H](Oc2ccc(C3=C(c4ccc(O)cc4)CCc4ccc(O)cc43)cc2)C1 1857592111 JPRUPMMSWSWDQN-DEOSSOPVSA-N 413.517 5.086 0 1 HKAF CC(C)=CCC[C@]12C(=O)CC[C@H](C)[C@]1(C)CC[C@@](C)(O)[C@H]2Cc1c[nH]c2ccccc12 2356334628 KPIWQVIPQWGFNG-OXUQAVOTSA-N 421.625 6.610 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)C3=CC[C@]12C 2356415436 LKHNRKZLWGLUOW-SNQVAPPXSA-N 424.713 8.543 0 1 HKAF CC(C)=CC[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](N(C)C)CC3=CC[C@@]2(C)[C@H]2CC[C@H]3CN(C)C[C@@]132 2356539226 GZPCPKJUELSOTR-LLOTTWJLSA-N 424.717 6.394 0 1 HKAF CCCCC[C@H](O)C[C@H](CCc1ccc(O)c2c1C=C[C@H]1CCC[C@H]1O2)OC(C)=O 2356656665 XEKQHUBPILNRDJ-MDAIXWLXSA-N 416.558 5.162 0 1 HKAF COc1ccccc1CNC(=O)c1c(C(C)(C)C)noc1-c1c(F)cccc1Cl 777247 HBGPSGGPRBEALG-UHFFFAOYSA-N 416.880 5.370 0 1 HKAF COc1ccc(-c2noc(-c3ccc(-c4ccccc4)cc3)c2C(=O)NC(C)C)cc1 2480766 UYWGQBHJIJCIMO-UHFFFAOYSA-N 412.489 5.822 0 1 HKAF Cc1ccc(/C=C2\CN3[C@H]4CC[C@@H]3[C@@H](COC(=O)c3ccccc3)[C@@H]2C4)cc1Cl 13473299 PNDOIIRQADCQOY-KEMADFBMSA-N 407.941 5.372 0 1 HKAF CCCCCC(C)(C)C/C=C\C/C=C\C/C=C\C/C=C\CC[C@H](C)C(=O)NCCF 13766104 LCXOKJHEOHVYGG-JWKFHJDDSA-N 419.669 7.880 0 1 HKAF CO[C@@H](C1CCCCC1)[C@@H](C)[C@@H](OCc1cccc(Br)c1)[C@@H](C)CO 13782999 DMJFQFIGRLPWIE-SNHGZMDHSA-N 413.396 5.194 0 1 HKAF CC(C)c1ccc(CCCCCCc2ccc(C(C)C)cc(=O)c2O)c(O)c(=O)c1 26657815 YRSHVNOLERVMNV-UHFFFAOYSA-N 410.554 5.411 0 1 HKAF S=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1Cc1c[nH]c2ccccc12 28240982 JCWBYEFGRWLWRC-JOCHJYFZSA-N 415.949 6.023 0 1 HKAF COc1ccccc1[C@H]1CN2CCC[C@@H]2c2cc(OCCCN3CCCCC3)ccc21 28885987 KGXVLSBKFYJYCG-IZZNHLLZSA-N 420.597 5.232 0 1 HKAF CN(c1nc2ccccc2n1Cc1ccccc1)C1CCN(CCc2ccccc2)CC1 29567543 FGZDKCWNKZCHHF-UHFFFAOYSA-N 424.592 5.228 0 1 HKAF Cc1ncc(NC(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)s1 40872567 PZWWCIFJQKDZMU-UHFFFAOYSA-N 419.428 5.283 0 1 HKAF C[C@]1(C(=O)O)CCC[C@]2(C)c3cc(OCCOCc4ccccc4)ccc3CC[C@@H]12 40916088 OKOMAAZBMMZDOE-ARMFNRFLSA-N 408.538 5.377 0 1 HKAF CCOc1cc(NCc2cccc(Nc3nc4ccccc4s3)c2)ccc1OC 49109835 CUVVFQXOZYCYQL-UHFFFAOYSA-N 405.523 6.059 0 1 HKAF in-vitro O=C(c1ccc(NCCn2cnc3ccccc32)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 64559685 AMDOXDXBHYTPFX-FCHUYYIVSA-N 415.924 5.788 0 1 HKAF CCCn1c(-c2cnc(Nc3ccc(C)nc3)c(Cl)c2)nc2c(Cl)cccc21 66112654 BPPONJQBXXZDGE-UHFFFAOYSA-N 412.324 6.262 0 1 HKAF Nc1nc2c(c(-c3cccc4ccccc34)n1)CCC/C2=C\c1cccc2ccccc12 72177390 SYPWPIDHMVNTCK-RELWKKBWSA-N 413.524 6.909 0 1 HKAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NC3CCCC3)nc2-c2ccccc2F)C1 82151407 XXIISDSEGFZKSR-IAGOWNOFSA-N 410.537 5.288 0 1 HKAF CCOc1ccc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccccc3F)n2)cc1 82175880 GGVXATDLBUHXKK-UHFFFAOYSA-N 418.472 5.299 0 1 HKAF Clc1ccc2nc(Nc3nnc4sc(-c5ccccc5Cl)nn34)sc2c1 98082610 FHCBYWZASIRICF-UHFFFAOYSA-N 419.322 5.513 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-c2ccccc2)c1 98176747 APXVOQGYSIFTDK-JOCHJYFZSA-N 401.506 5.625 0 1 HKAF O=C1C[C@H](C2c3ccccc3-c3ccccc32)C(=O)N1c1cc(Cl)cc(Cl)c1 103278084 PPXYLUIYGNMAFS-HXUWFJFHSA-N 408.284 5.685 0 1 HKAF CC1=C[C@H]2[C@H]3[C@H](C=C[C@@H]4[C@H](C)C[C@H](C)C[C@@]43C)C(=O)[C@]23C(=O)N[C@@H](C(C)C)[C@@H]3[C@H]1C 137177866 MYAIFNPIHQINJU-WSBLIIRGSA-N 409.614 5.029 0 1 HKAF CCC(=O)N1CCC[C@]2(C)[C@H]3CC[C@]4(C)C(c5cccnc5)=CC[C@H]4[C@@H]3CC[C@H]2C1 169276508 KIEZLPMOLUQTDT-MSFOBWSXSA-N 406.614 5.966 0 1 HKAF CC(C)C(=O)OCC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@]12CC[C@](C)(CC(=O)O)O2 238762700 FSZPCPVUWXSHEO-WJXFIBLPSA-N 406.563 5.131 0 1 HKAF Cn1cc([C@H]2CC[C@H](CCN3CCN(c4ccccn4)CC3)CC2)c2ccccc21 253859727 LACILEXWDGRNHN-HZCBDIJESA-N 402.586 5.059 0 1 HKAF CC(C)Oc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1Cl 586985033 DWZBHKWXRXYXBS-UHFFFAOYSA-N 415.876 6.259 0 1 HKAF FC(F)(F)Oc1cc(Br)c2[nH]c([C@H]3Cc4ccccc4S3)nc2c1 587043574 SAJNIGQWPWSCHF-CYBMUJFWSA-N 415.234 5.614 0 1 HKAF CC(C)COc1cc2nc([C@@H]3Cc4ccccc4S3)[nH]c2cc1Br 587043601 SVZKTDBCJRLHQF-SFHVURJKSA-N 403.345 5.750 0 1 HKAF COC(=O)c1cccc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 587072018 OQAYTCQBZVSIPB-WKIFUANRSA-N 415.320 6.022 0 1 HKAF FC(F)(F)c1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cc1Cl 587116058 LVGOCUYAWZKVFK-UHFFFAOYSA-N 416.712 5.864 0 1 HKAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587149864 NSXVXQUXOOVDLA-SANMLTNESA-N 423.491 6.483 0 1 HKAF Fc1cncc(Cl)c1Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587175467 DSGDNEBCKBNGNA-UHFFFAOYSA-N 408.580 5.123 0 1 HKAF Cc1cc(Br)c2[nH]c([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2c1 587226853 VFPFFCAQLFXGCN-HNNXBMFYSA-N 408.340 5.390 0 1 HKAF COc1ccc(C)cc1NCCCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587229032 LXKOZHBNXGHICT-UHFFFAOYSA-N 413.827 5.477 0 1 HKAF COc1cccc(-c2cc(-c3c[nH]c4ccccc4c3=O)nc3c2oc2ccccc23)c1 587364026 VWZHKFMTGHVCNQ-UHFFFAOYSA-N 418.452 6.165 0 1 HKAF COc1cccc(-c2cc(/C=C/C=C(\C)CCC=C(C)C)nc3c2oc2ccccc23)c1 587366427 UHRJEKVNXPPVJD-QEGNTKKCSA-N 423.556 8.363 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](C)CCc3ccc(Br)cc31)O2 587370687 HJJGEZUUVUQTFN-LAJNKCICSA-N 400.316 5.173 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCc3cccc4ccccc34)cc1)O2 587400615 RPRMRRPPUYNZJY-MUUNZHRXSA-N 423.512 6.190 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc3cc(Br)ccc3o1)CC2=O 587458540 KWOFUYFLBLADGO-OAQYLSRUSA-N 415.283 5.734 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)c(Br)cc1Cl)CC2=O 587465578 ILJFCOOYHDJQOK-KRWDZBQOSA-N 413.670 5.606 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)c(OCc3ccccc3)c(C)c1)CC2=O 587484163 YKBRAZSZIZEOFF-RUZDIDTESA-N 416.517 6.247 0 1 HKAF O=C1C[C@]2(CCCC=CCCCCCCCCCC2)Oc2c1ccc1c2CCCC1 587524196 LBNDSUFZQJSKQU-MUUNZHRXSA-N 408.626 7.911 0 1 HKAF COc1ccccc1/C=C1/N2CCC(CC2)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526405 PLVIVVZSMHEJDE-QTTRZTASSA-N 415.533 5.045 0 1 HKAF O=C1C[C@]2(CC[C@H](c3ccccc3)c3ccc(O)cc32)Oc2c1ccc1c2CCCC1 587529391 BFPCWYQFSDSJKK-PIKZIKFNSA-N 410.513 6.057 0 1 HKAF CC(C)c1ccc([C@]2(CCCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587529872 RARBCIQRALZQIT-SANMLTNESA-N 406.522 5.804 0 1 HKAF Cc1onc(-c2ccccc2)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587863 QHHGDNRMWUGWJQ-PXDATVDWSA-N 413.429 5.233 0 1 HKAF CCOC(=O)C[C@]1(CC2CCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596333 NOMRRVPBYRALCE-DHLKQENFSA-N 424.493 5.016 0 1 HKAF Cc1ccc(-c2csc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)cc1 587613763 QCBYKDXLYCYBAO-NFBKMPQASA-N 415.470 5.527 0 1 HKAF C[C@@H](CC(=O)O)c1c(-c2ccc(Br)cc2)[nH]c2ccc(F)c(Cl)c12 587628650 QCHKNUQCSDVUNK-VIFPVBQESA-N 410.670 5.968 0 1 HKAF CCOC(=O)c1ncn(-c2c(-c3cccc(Cl)c3)[nH]c3ccc(F)c(Cl)c23)n1 587629122 VHYCYGQHFISTDF-UHFFFAOYSA-N 419.243 5.038 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2cc(Cl)cc(Cl)c2)N1 587698807 JPOJNWPJXIXDML-MGNBDDOMSA-N 417.149 5.887 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c(F)cccc2F)(C(F)(F)F)N1 587705775 MZWWUCYXSJWZMS-VPTHRUTESA-N 424.182 5.207 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3cc(F)cc(Br)c3[nH]2)c1 587779835 GHNLKAGAAIDHQH-UHFFFAOYSA-N 411.274 6.197 0 1 HKAF CCCCOc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587798575 YZQLKPCJCNUUDP-SZNDQCEHSA-N 406.339 5.565 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cscc2Br)N1 587856184 WQPLZBGWBQRTOZ-AYVTZFPOSA-N 419.157 5.210 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2sccc2s1 587860965 HJSLANUVDJQIRP-UHFFFAOYSA-N 423.346 6.220 0 1 HKAF Cc1c(Br)cnc2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc12 587949208 BEHSZFNAGBEOQW-QXMHVHEDSA-N 406.283 5.992 0 1 HKAF Cc1nc2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2cc1Br 587949443 GTRFVMLSUURCHW-QXMHVHEDSA-N 406.283 5.992 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccccc2[nH]1 587959686 NEHVBVXDDNMHCK-UUQHCRCUSA-N 402.626 8.417 0 1 HKAF Cc1ccoc1CNc1nc(Oc2ccc(Cl)c(Cl)c2)nc2ccc(F)cc12 653766970 QMOCOXXOWYGXEC-UHFFFAOYSA-N 418.255 6.382 0 1 HKAF COc1ccc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)cc1OCC(C)C 961614884 NITLVQMDWYQZEU-NRFANRHFSA-N 416.359 5.260 0 1 HKAF CCOc1ccccc1-n1cccc1[C@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962703551 NBSDPZCRBIQXHE-IQGLISFBSA-N 422.569 5.468 0 1 HKAF Cc1cc(C)cc(CC[C@]2(C3CC3)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962730204 MJISXFUICRYWNJ-FYYLOGMGSA-N 401.472 5.187 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@]2(CCCC(=O)O)c1c(C)c(C)cc(C)c1C 963260790 ZQNFAFCXSYLWRI-XMMPIXPASA-N 415.961 5.226 0 1 HKAF Nc1c(NC(=O)OC2CC2)cc(F)c(NCc2ccc(C(F)(F)F)cc2F)c1F 1857560043 PFUDSRDKCYPOBO-UHFFFAOYSA-N 419.325 5.028 0 1 HKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CC(=O)NCCS(C)(=O)=O 2356482950 CECRDLCMVJASRD-FDFHNCONSA-N 417.700 5.613 0 1 HKAF CC(C)[C@@H](C)[C@@H](C)C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356564991 KTGGCSVZUGUIFS-MISMIRMWSA-N 416.734 7.961 0 1 HKAF O[C@H]1CN2CCCCCCC=CCCC3=C[C@H]4CN5CCCCC=CCC[C@@](C2)([C@H]14)[C@@H]35 2356611013 GFQQVZDOEWJQSB-APNLASKRSA-N 424.673 5.327 0 1 HKAF CC(C)c1ccc(NC(=O)[C@@]2(C)Cc3c(-c4ccc(N(C)C)cc4)ccnc3O2)cc1 61897762 HCGDYTBSMABZKC-AREMUKBSSA-N 415.537 5.270 0 3 HKAF COc1ccc(-c2sc3cc4c(cc3c2-c2ccc3c(c2)OCCO3)OCO4)cc1 61948059 USIPLMWTZQRMFU-UHFFFAOYSA-N 418.470 5.744 0 3 HKAF Clc1ccc2nc(-c3cccc(Br)c3)c(Cc3ccsc3)n2c1 72141241 HZPZXSNWFQSACU-UHFFFAOYSA-N 403.732 6.070 0 3 HKAF O=[P@@]1(Oc2ccccc2)[C@H](c2ccccc2)C(c2ccccc2)=NN1c1ccccc1 5810525 KLAWGOKDMUSYCT-MXBOTTGLSA-N 424.440 6.924 0 1 HKAF Cc1cc2ncn(CC[C@@H]3c4ccccc4COc4ccc(C(=O)O)cc43)c2cc1C 13727163 UBYQQXKRCPNDME-OAQYLSRUSA-N 412.489 5.466 0 1 HKAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2nc(C3CCCC3)n(C)c12 26652349 FZGLZPNZCVMSQV-UHFFFAOYSA-N 419.312 5.194 0 1 HKAF Nc1sc(-c2ccccc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 29132009 LFVVBBNLBIIMAE-UHFFFAOYSA-N 423.459 6.914 0 1 HKAF CCCCC1=N[C@](C)(C2CC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1 29412513 YRNINDDFRJVSHB-RUZDIDTESA-N 404.510 5.151 0 1 HKAF COc1cccc2c1C[C@H](N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 34576174 JBNQPDCVQXSXPZ-FQEVSTJZSA-N 408.517 5.106 0 1 HKAF in-vitro O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2ncccc2C(F)(F)F)cc1 38149546 YOCQLGXBNLZHFA-UHFFFAOYSA-N 410.317 6.039 0 1 HKAF CCc1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CC[C@@H]1CC(=O)O 40409436 SGOBSURTJPVFGZ-LLVKDONJSA-N 421.349 6.019 0 1 HKAF Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(CC(=O)O)cc1 40565240 CUZPECBDWZNVJI-UHFFFAOYSA-N 406.429 5.377 0 1 HKAF CC(C)c1nccn1C[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 45389298 NGOKTPCVOHAXIR-AWEZNQCLSA-N 417.353 5.326 0 1 HKAF Cn1c(-c2ccc(-c3ccsc3)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1 71296964 PUEDNZRROPNXTL-UHFFFAOYSA-N 405.954 6.334 0 1 HKAF Cc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2c2nc(-c3ccccc3)cs2)cc1 72177470 NSYQOBBFAGLGJV-AREMUKBSSA-N 423.585 7.091 0 1 HKAF CCOC(=O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(F)ccc(F)c2c1=O 96906854 CYBYMAAAIUFXSL-UHFFFAOYSA-N 419.427 5.172 0 1 HKAF CCOc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2C)cc1 104705674 NWDUJAWDVDSDGU-DEOSSOPVSA-N 416.521 5.841 0 1 HKAF CC(=O)N(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(c5cccnc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c1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3ccc4cnccc4c3)=CC[C@@H]12 299827592 PICHZEGIXWASHK-DOCBIHDTSA-N 411.545 6.499 0 1 HKAF Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)NCC2CC2)c1 299885773 VZRQAPJCKSAJDA-ZKMOHVOUSA-N 418.585 5.074 0 1 HKAF CCc1ccc(-c2nc3cc(-c4nnc(-c5ccc(OC)cc5)o4)ccc3[nH]2)cc1CC 586879787 RIZDNKBRKSNRJM-UHFFFAOYSA-N 424.504 6.080 0 1 HKAF CC(C)(C)OC(=O)N1CCC[C@H]1c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988481 SJXXOWYHXXXXHO-IBGZPJMESA-N 416.477 5.224 0 1 HKAF Cc1ccc2c3c(cc(/C=C/c4cccc(C(F)(F)F)c4)nc13)-c1ccccc1C2=O 586992146 DSFJQFOYPDDZDC-ZHACJKMWSA-N 415.414 6.944 0 1 HKAF CCOC(=O)C(F)(F)[C@H]1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1 586992642 ICYVGDSXJQEIDQ-AWEZNQCLSA-N 421.443 5.058 0 1 HKAF CCc1ccc(-c2nc(-c3nc4cc(Br)cc(Cl)c4[nH]3)cs2)cc1 587015882 WOMLNCVWXQVFNS-UHFFFAOYSA-N 418.747 6.332 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(Cl)c(C)c3[nH]1)N2 587030542 FLKBJUWSLGWGEL-LLUUXILJSA-N 418.975 5.652 0 1 HKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Br)cc(Cl)c2[nH]1 587070984 ZDMLEDJZADNCBI-SECBINFHSA-N 412.114 6.009 0 1 HKAF CC(C)(C)Oc1cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(N)cc1F 587136947 ZMEHRCVFENTTLL-UHFFFAOYSA-N 418.341 5.178 0 1 HKAF Fc1cc(F)c(-c2nc3ccc(Br)c(F)c3[nH]2)cc1Br 587137770 KNNQNURNKPFLIT-UHFFFAOYSA-N 405.999 5.172 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(SC)cc4[nH]3)cc2F)c1 587144163 SKGZSLKHKHACGB-UHFFFAOYSA-N 408.454 5.465 0 1 HKAF COC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327937 ILUIZBVJSPLUPL-GGAORHGYSA-N 412.844 5.086 0 1 HKAF C[C@]1(c2c[nH]c3nccc(Cl)c23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329421 MDKFMCGNBWEDSP-NZQKXSOJSA-N 422.843 5.335 0 1 HKAF COc1ccc(C)c2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355028 WMEXYYHSZYTECA-AHWVRZQESA-N 418.464 5.439 0 1 HKAF Cc1cc(C)c2c(c1)[C@@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359904 STQGZOKZLLBAPA-JYFHCDHNSA-N 418.464 5.575 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](c2ccc(O)cc2)C3)c1 587367688 ZABQSWUENUAJJQ-GOSISDBHSA-N 421.496 6.635 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(C(C)(C)C)nn(-c4ccccc4)c1Cl)[C@@H](C2)C3=O 587419075 CJLXVWWCIYWEMQ-KKSFZXQISA-N 422.912 5.321 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc3c(cc1C)C(C)(C)CCC3(C)C)CC2=O 587478398 GDSMXAWRPKBSFQ-DEOSSOPVSA-N 406.566 6.709 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCc1ccccc1)(C1(O)CCCCC1)CC2=O 587478878 CFGLSAMBECICRE-AREMUKBSSA-N 408.538 5.377 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1cc(Br)c(C)s1)CC2=O 587489905 FNNNGEUSXMTJOI-LJQANCHMSA-N 409.345 5.748 0 1 HKAF Cc1cc2c(cc1[C@@]1(C)CC(=O)c3ccc4c(c3O1)CCCC4)C(C)(C)[C@H](C)C2(C)C 587521770 GESHNMIBSOASHH-LDLUVENISA-N 416.605 6.959 0 1 HKAF O=C1C[C@@]2(CCCc3nc(-c4cccnc4)sc32)Oc2c1ccc1c2CCCC1 587535015 HFIQRXAHKQQUNI-XMMPIXPASA-N 402.519 5.281 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(Cl)cc1 587551538 GPLRXQDEPRCCPU-URXFXBBRSA-N 417.848 5.539 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1OC(F)(F)F 587554757 JDCQQXOKAHJKDK-YLJYHZDGSA-N 420.314 5.133 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2cccc(F)c2)s1 587568124 DASBZHRFOGUGPF-UGKGYDQZSA-N 419.433 5.358 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2)cc1O 587611284 RZFHKUPUOVYNMR-JYFHCDHNSA-N 410.425 5.468 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2c(F)cccc2Cl)N1 587722155 RIJYDGXUGNAZLC-UGLGROFFSA-N 412.705 5.844 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(F)c3F)o2)N1 587725822 GJZIFXQPFMGGQN-SBKAZYGRSA-N 422.244 5.750 0 1 HKAF CC[C@]1(c2ccc([C@H](C)OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587791587 KDSADDJFRUZZNI-DGCWBMGLSA-N 406.339 5.483 0 1 HKAF CCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587794606 OXUSQDDSOZHGNJ-FKIZINRSSA-N 408.311 5.009 0 1 HKAF CCC[C@@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 587801503 GZXVSKCAHZQCIT-ZSEKCTLFSA-N 401.323 5.647 0 1 HKAF COc1cc2ccccc2cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587812536 ZXPHJMCRUCAVLB-GTJPDFRWSA-N 400.291 5.374 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C=O)cc2)(C2CCCC2)N1 587820401 PEYAFYFWVUVUMV-RCDICMHDSA-N 416.334 5.369 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccs3)s2)N1 587848277 NDWWCLMCWOBODA-XTZNXHDOSA-N 408.361 6.002 0 1 HKAF COc1ccc2c(c1)[C@]1(CCCS2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587854315 DGJUQUGBQKBGDG-YUNKPMOVSA-N 422.363 5.261 0 1 HKAF CC1=CSc2ccc(Cl)cc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587854345 DJOBBDPIQVNBFY-WLRWDXFRSA-N 424.766 6.029 0 1 HKAF CCOc1cccc(C(=O)n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)c1 587865236 XZKFPMSTDLVBTK-UHFFFAOYSA-N 404.388 5.055 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(OCc2ccccc2)cc1 587870442 IOLCQSXZCNFJKQ-UHFFFAOYSA-N 416.452 5.355 0 1 HKAF Cc1cc(Br)cc(F)c1[C@@H]1c2ccsc2CCN1Cc1ccco1 962716094 UBHPSQRJKDAVEU-IBGZPJMESA-N 406.320 5.699 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(Cl)nc2)(c2ccc(C)c(C)c2)N1 962955370 SASKXAJRSDVTKU-RXFWQSSRSA-N 415.968 6.049 0 1 HKAF CC(C)(C)C[C@]1(c2cc(F)cc(F)c2)c2ccsc2CCN1Cc1cccnc1 963006217 IOSNHRBKMNFMJP-DEOSSOPVSA-N 412.549 6.159 0 1 HKAF Cc1cc([C@@]2(c3cc(Cl)cc(Cl)c3)NCCc3c2sc(C)c3C)ccc1F 963013726 SBZDZVBLGJKCRX-QFIPXVFZSA-N 420.380 6.557 0 1 HKAF CC(C)c1ccc2[nH]c(C(C)(C)C)c([C@H]3c4c(F)cccc4C[C@@H]4CCCN43)c2c1 963114506 UGMMOOGLJSZRSL-UQBPGWFLSA-N 404.573 6.838 0 1 HKAF Cc1cccc(CC[C@@]2(c3ccc(Cl)cc3)NCCc3c(C(=O)O)cccc32)c1C 963130551 JSBPYWOLMBTPEN-SANMLTNESA-N 419.952 5.677 0 1 HKAF CC(C)(C[C@H]1N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21)c1ccccc1 963178544 LPAXJFUUCVYQNB-QZTJIDSGSA-N 411.851 5.367 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@]2(CCCC(=O)O)c1c(C)c(C)cc(C)c1C 963260787 ZQNFAFCXSYLWRI-DEOSSOPVSA-N 415.961 5.226 0 1 HKAF Cc1cc(Nc2cc(C(C)(C)C)ccn2)nc(-c2ccc(NC(C)(C)C(=O)O)nc2)c1 1772616933 JJUWCSIWKFWKAC-UHFFFAOYSA-N 419.529 5.163 0 1 HKAF Fc1ccc(-c2cc(-c3ccc4cc(F)ccc4n3)n(-c3ccc(F)cc3)n2)cc1 1857629777 BSNBVVDQHPVUMF-UHFFFAOYSA-N 401.391 6.172 0 1 HKAF O=C1[C@@H](c2cccc3ccccc23)Oc2cc(F)ccc2N1Cc1ccc(F)cc1 1857647032 QAEXFEJPAXZJRO-XMMPIXPASA-N 401.412 5.785 0 1 HKAF CCCCCC=CCC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 2356413187 QLXBKYBHBQBEFT-UHFFFAOYSA-N 415.618 6.831 0 1 HKAF CC(C)C1=C(C[C@@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)[C@@H]1C 2356590066 CPOLWWXFYSOOCH-MSCMEFSKSA-N 410.686 7.555 0 1 HKAF COC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(Cc3ccc(OC)cc3C)n2c1 95571547 FYOMYEWIBFUQPZ-UHFFFAOYSA-N 420.896 5.349 0 3 HKAF O=C(Nc1ccccc1Cc1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1 3844701 KNHMZKZCWQYDLJ-UHFFFAOYSA-N 420.512 5.445 0 1 HKAF biogenic O=c1cc(N[C@@H]2CCC[C@H](NCc3ccc(Cl)c(Cl)c3)C2)[nH]c2ccccc12 3923735 VVRVVFIBTJARSD-JKSUJKDBSA-N 416.352 5.348 0 1 HKAF C[C@H](CO)CCC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 6020468 ANPHLQXCHVRCDX-LURFOZDGSA-N 416.646 5.540 0 1 HKAF Cc1ccc(-c2cc(C(=O)Nc3nc4ccccc4s3)c3ccccc3n2)cc1C 6278448 VWTAWEBOXPBYGL-UHFFFAOYSA-N 409.514 6.381 0 1 HKAF CCCCc1nc2ccccc2c(=O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 28756945 NHSVBDDNXGYWCO-UHFFFAOYSA-N 412.489 5.153 0 1 HKAF NCc1cccc(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)c1 28826256 CBGMYMPDXRUKPX-UHFFFAOYSA-N 411.549 5.178 0 1 HKAF CCCCc1c2c(nc3c1CCc1cc(C=O)c(N)nc1-3)/C(=C/c1ccccc1)CCC2 31842229 RAUGILAPUMKQMN-XDJHFCHBSA-N 423.560 5.856 0 1 HKAF CN1CCN(Cc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2Cl)CC1 40421413 HJDQIRDTDLETTK-UHFFFAOYSA-N 401.341 5.033 0 1 HKAF O=C1O[C@H](O)C(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)=C1Br 40950409 GHKUUZLKXKZZQA-NRFANRHFSA-N 407.263 5.002 0 1 HKAF O=C(NC1(c2ccccc2)CC(F)C1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1 45253243 XUDUEYXMIRRHJM-IYZJKTGWSA-N 404.485 5.369 0 1 HKAF CC(=O)Oc1ccc(COc2cccc(-c3ccc4sc(C(=N)N)cc4c3)c2)cc1 45374686 XLXZUXUEXZIGPF-UHFFFAOYSA-N 416.502 5.357 0 1 HKAF Cc1ccc([C@H]2ON=C(c3ccc(C4=NO[C@H](c5ccc(C)cc5)O4)cc3)O2)cc1 49020441 QLVPZJJUAQFCIZ-DNQXCXABSA-N 400.434 5.118 0 1 HKAF COc1ccccc1[C@H]1CN2CCC[C@H]2c2cc(OCCCN3CCCCC3)ccc21 58503367 KGXVLSBKFYJYCG-UIOOFZCWSA-N 420.597 5.232 0 1 HKAF Cc1c(C(C)(C)C)s/c(=N\C(=O)c2ccc(OC(F)(F)F)cc2)n1CC1CC1 66066118 YOAQKMKHBAJFCQ-MOHJPFBDSA-N 412.477 5.205 0 1 HKAF COc1cccc(Sc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)c1 71316146 PORLNYAJHPPNSM-UHFFFAOYSA-N 420.642 7.428 0 1 HKAF O=C(NCCc1ccccc1Cl)c1cc(-c2ccc(Cl)cn2)ccc1Cl 72178036 IVPGVESHRNUDJM-UHFFFAOYSA-N 405.712 5.681 0 1 HKAF FCCn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1 73156534 OKSASUFSNRSZFA-UHFFFAOYSA-N 424.479 5.709 0 1 HKAF C[C@@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)C1 82165857 MGRQJGMEBFLXJW-IAGOWNOFSA-N 416.550 6.009 0 1 HKAF CC[C@H](C)[C@H](Nc1nc(-c2cccc(C)c2)cs1)C(=O)NCc1ccc(F)cc1 82195219 UZJYZZQWDWJDQS-KKSFZXQISA-N 411.546 5.401 0 1 HKAF Cc1ccc(C2=C[C@@H](c3c(-c4ccccc4)[nH]c4ccccc34)c3c(N)n[nH]c3O2)cc1 95604200 OVLVPYZEINPMBJ-FQEVSTJZSA-N 418.500 6.014 0 1 HKAF CC(C)(C)c1nc2ccc(-c3ccsc3)cn2c1-c1cccc(-c2ccccc2)c1 96927443 LNUIYSJUTYSLPH-UHFFFAOYSA-N 408.570 7.694 0 1 HKAF N=C1S[C@H](c2ccc(Cl)cc2)c2cnn(C(=O)c3ccc(Cl)cc3)c2C1=N 103021441 NMLMKEDFGRGSRK-QGZVFWFLSA-N 415.305 5.060 0 1 HKAF Cc1cc(Br)cc2c1N1Cc3cc(Br)cc(C)c3N(C2)C1 103178477 KRBVJORCGUWLSM-UHFFFAOYSA-N 408.137 5.126 0 1 HKAF CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 104699706 BUHDORAWYOHTOO-QFIPXVFZSA-N 420.440 5.001 0 1 HKAF COc1ccc(-c2ccc(CCCNc3ccc(CN4CCCCC4)cc3)nn2)cc1 137451256 UKHHETYTQCSWPT-UHFFFAOYSA-N 416.569 5.183 0 1 HKAF C[C@H](NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1)C(C)(C)C 145483166 BCJWPWVRSGFHKX-HTAPYJJXSA-N 422.594 6.526 0 1 HKAF C1=C(c2ccc(CCN3CCc4ccccc43)cc2)[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 169365293 WWQFGJHILWPTGQ-YTMVLYRLSA-N 420.600 5.827 0 1 HKAF Cc1ccccc1S[C@@H]1C(=O)C[C@](CCc2ccccc2)(c2ccccc2)OC1=O 169684742 CBOOFXWOJSMVFK-AOYPEHQESA-N 416.542 5.500 0 1 HKAF O=c1c2cc(-c3c(Cl)cccc3Cl)ccc2nc(C2CC2)n1Cc1cccnc1 205278168 NHJUZYJGENVACL-UHFFFAOYSA-N 422.315 5.691 0 1 HKAF C[C@H]1[C@H](/C=C/c2ccc(-c3cccc(F)c3)cn2)[C@@H]2[C@@H](C)OC(=O)[C@@H]2CC1(F)F 205741480 MCFWIZMCCHEXBK-GIOTVFMWSA-N 401.428 5.370 0 1 HKAF Cn1cc(-c2ccc(Nc3cc4c(-c5cnn(C)c5)cccc4cn3)c(Cl)c2)cn1 207616461 AFYTVYVYMOQWPI-UHFFFAOYSA-N 414.900 5.433 0 1 HKAF CCCCCn1c(-c2ccccc2)c2c(=O)n(Cc3ccccc3)nc-2c2ccccc21 299856527 CQPPNALQBNMXOM-UHFFFAOYSA-N 421.544 6.208 0 1 HKAF Cc1c(-c2nc3cc(Br)c(OC(C)C)cc3[nH]2)oc2c1[C@@H](O)CCC2 586905714 ZTGYQQIUPMGQBW-AWEZNQCLSA-N 405.292 5.051 0 1 HKAF Cc1ccc2c3c(c([C@@H](C)C(=O)O)c(-c4ccccc4F)nc13)-c1ccccc1C2=O 586996023 OUQYBBRIUDFPJW-CQSZACIVSA-N 411.432 5.749 0 1 HKAF CCCn1cnc2cc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc(Br)c21 587002564 BJNLPPDZAIEPNM-UHFFFAOYSA-N 423.236 5.771 0 1 HKAF Clc1c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)ccnc1Br 587005894 YIYUTPUPAMNICM-UHFFFAOYSA-N 400.663 5.833 0 1 HKAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(C)ccc(C)c3[nH]2)c1 587047874 BIANOWMCZSZNCI-UHFFFAOYSA-N 412.921 5.143 0 1 HKAF C[C@H](Oc1ccc(Cl)cc1Cl)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104531 SWSQRICNBVOJLL-ZDUSSCGKSA-N 420.295 6.893 0 1 HKAF COc1ccc(-n2cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cn2)cc1 587105072 NEEDVEALOCQGEY-UHFFFAOYSA-N 403.441 5.308 0 1 HKAF Cc1[nH]c2ccccc2c(=O)c1CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106091 LMOBOVNNHCAJTA-UHFFFAOYSA-N 416.480 5.381 0 1 HKAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)cc2N1 587122603 CHOAFXJZKPOOQF-SGTLLEGYSA-N 413.403 5.526 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)cc2F)c1 587143422 RMTPVUZTXCKLLC-UHFFFAOYSA-N 423.831 5.029 0 1 HKAF Cc1cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1Br 587152457 NUDGHTRCDORJFX-FQEVSTJZSA-N 410.290 5.974 0 1 HKAF Fc1ccccc1-c1cccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 587152666 CEXQPIWWHHKJMS-UHFFFAOYSA-N 403.201 6.077 0 1 HKAF COc1cccc(COc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2Cl)c1 587209794 XRTYROVCNRCPOU-UHFFFAOYSA-N 401.893 6.241 0 1 HKAF CC(C)Oc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587353389 YVPQEDHRHMYRPO-ILBGXUMGSA-N 406.453 5.593 0 1 HKAF COc1ccc2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2c1Br 587370014 AKZMOHSVQAHLTI-LJQANCHMSA-N 412.283 5.208 0 1 HKAF C[C@@H]1CSc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587376908 YUOUZKFODQOOIY-FUEHQLCJSA-N 406.478 5.528 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(Br)cc1Cl)[C@@H](C2)C3=O 587412985 LEEOQBUFKMWCOU-DYZYQPBXSA-N 414.082 5.253 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1c(N)sc3c1CC[C@@H](C)C3)O2 587415183 QIIKAHRBCHCDNM-PWECECGKSA-N 418.562 5.255 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(OC(C)C)c(Cl)c1)CC2=O 587458364 ATPUOYPFLQDKDG-IBGZPJMESA-N 409.309 6.145 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)ccc1Cl)CC2=O 587458371 SJFYLXYKSSQHNF-IBGZPJMESA-N 409.707 5.641 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccnc3cc(Br)ccc13)CC2=O 587460064 REFASCCTSVPPPR-FQEVSTJZSA-N 412.283 5.362 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1OCCC(C)C)CC2=O 587460905 HMAQWALZGNSYAT-QFIPXVFZSA-N 402.918 6.130 0 1 HKAF Nc1ccc(Cl)cc1[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502189 IIUIREAPUYPGEU-VWLOTQADSA-N 421.899 5.849 0 1 HKAF O=C1CC2(CN(C(c3ccccc3)c3ccccc3)C2)Oc2c1ccc1c2CCCC1 587517960 YAHPJBBRBBIIHJ-UHFFFAOYSA-N 409.529 5.375 0 1 HKAF C[C@@]1(c2cccc(Cl)c2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545792 PMCDOYZPMOYHKQ-UWJYYQICSA-N 401.245 5.576 0 1 HKAF Cc1cccc2c3c([nH]c12)[C@@]1(CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590623 SWFVOVZGHVREIX-RLWLMLJZSA-N 411.457 5.375 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc2ccc(Cl)nc12 587619377 SALRHIIXRKRYDE-DYESRHJHSA-N 409.850 5.358 0 1 HKAF Oc1cc(Br)ccc1-c1[nH]c2cc(F)ccc2c1-c1ccc(F)cc1 587634513 IJMBFNRIUMADOZ-UHFFFAOYSA-N 400.222 6.248 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1Cc1ccc(Cl)cc1Cl 587654787 ZZSVQSIGJNYFFJ-UHFFFAOYSA-N 417.242 5.697 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(Cl)c(Cl)c2)N1 587693301 NDKPXHZCIKFLGH-QZTNRIJFSA-N 423.540 6.172 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ccc(Cl)c2Cl)N1 587696007 OULSMPRASWSLNF-QZTNRIJFSA-N 423.540 6.172 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2ccccc2Cl)N1 587696732 MNLSQFNZUPKNCM-WYRIXSBYSA-N 410.714 5.264 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2CCC(C(F)(F)F)CC2)N1 587716540 DLLZBWGFWVKPFM-CFMHRETDSA-N 408.277 5.706 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)c(Cl)cc2Cl)N1 587720074 MHZLDKXDEGVVRY-WNWIJWBNSA-N 421.112 5.832 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ncccc3F)o2)N1 587726858 LSGAFMCCUNXWKF-XTZNXHDOSA-N 405.242 5.006 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc3nc(C(C)(C)C)oc23)N1 587779770 VVPXVPAYGXBAAQ-QGHHPUGFSA-N 418.310 5.046 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(=O)OC(C)(C)C)c2)N1 587790650 HAPQMQALJKUECI-BUXKBTBVSA-N 420.322 5.167 0 1 HKAF CCCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587791417 IGKHXDUBMNYGQA-ASSNKEHSSA-N 422.338 5.399 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(F)cc1Cl 587856438 VYIGGMRTHOSVTA-UHFFFAOYSA-N 413.663 5.737 0 1 HKAF Cn1cc(-c2cccc(Br)c2-n2c(O)cc(C3CCCCC3)c2O)cn1 587935875 QYFXSQGPRUDDGF-UHFFFAOYSA-N 416.319 5.099 0 1 HKAF NCc1ccc(-c2nc3ccc(Cl)cc3c3c2CCCN3Cc2ccccc2)cc1 653785989 HXLMJVCDXJRRBY-UHFFFAOYSA-N 413.952 5.967 0 1 HKAF COc1cc(C[C@@H]2CCC[C@]3(C2)N[C@H]2CC[C@H]2c2ccc(OC)cc23)cc(OC)c1 962994488 KSWHKGKJJYHDHG-NKGFFYEQSA-N 407.554 5.190 0 1 HKAF Cc1ccnc2c1CCN[C@@H]2c1cc(Cl)cc(Cl)c1OC(=O)c1ccccc1 963064715 CFCHZIRTNFESSE-HXUWFJFHSA-N 413.304 5.151 0 1 HKAF CCOC(=O)CCCC[C@@]1(c2ccc(F)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963112570 TZOGKKPMNLGSLX-WIOPSUGQSA-N 413.508 5.352 0 1 HKAF Cc1cc(-c2nc(-c3ccc(F)c(C(F)(F)F)c3)n3c2CCO[C@H](C)C3)ccn1 1772624085 PXCNTFGNWZTRTM-CYBMUJFWSA-N 405.395 5.040 0 1 HKAF Cc1cc(N2CC[C@@]3(CCN([C@H](C)c4ccc5sc(C)nc5c4)C3)C2)cc(C)n1 1857581214 ZQCGYMDLNUAQOS-HOYKHHGWSA-N 406.599 5.280 0 1 HKAF CN1CCCc2ccc(NC(=O)C=Cc3ccc(-c4ccc(F)cc4F)o3)cc2C1 1857597942 YBVAQQMFAWHBSH-UHFFFAOYSA-N 408.448 5.255 0 1 HKAF COc1ccc(C(=O)N2CCc3c([nH]c4ccccc34)[C@H]2c2ccc(F)c(F)c2)cc1 1857620903 APZUHYITGIWJGL-XMMPIXPASA-N 418.443 5.243 0 1 HKAF CC(C)[C@@]1(C[C@@H](C)[C@@H]2CC[C@@H]3C4=CC[C@@H]5C[C@H](N)CC=C5C[C@@H]4CC[C@@]32C)C=NCC1 2356306966 LQMCJEXVBUNOCC-REZSTPACSA-N 422.701 6.956 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356382255 UKRMXWMCDFUMQY-KUNRNMODSA-N 412.702 8.233 0 1 HKAF CC(=O)OC=CC(=COC(C)=O)CCC=C(C)CC[C@@H]1C(C)(C)CCC[C@]1(C)O 2356501404 YULSAIDMTJJFTN-VWNXMTODSA-N 406.563 5.594 0 1 HKAF CC1=CC[C@@H]2[C@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@H](C)CC(=O)O 2356693210 BSSGYOHVEPJDRQ-CHWZAQPYSA-N 422.562 5.064 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1C(=O)CC[C@]2(C)[C@@H]1C[C@H](O)[C@@H]2[C@H](C)C=CCC(C)C 2356807644 XYOWXSZBIWALDZ-MGTDWDJMSA-N 412.614 5.854 0 1 HKAF COc1ccc(OC(F)(F)F)cc1C[C@]1(C)C(=O)Nc2c(Cl)ccc(Cl)c21 61903026 CEMYGNYUEYWSJG-KRWDZBQOSA-N 420.214 5.353 0 3 HKAF CC(=O)Oc1cc(Cl)c(C)c2c1[C@H]1CC[C@]3(C)[C@@H](OC(C)=O)CC[C@H]3[C@@H]1CC2 5539371 NBAFPRNMIISQEL-VKINLPIUSA-N 404.934 5.362 0 1 HKAF C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCCN5CCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C 5845003 PDWOMRLKPDZJKU-RSHFQSJLSA-N 414.634 5.169 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(CCC5CCCCC5)CC[C@@]43C)[C@@H]1CCC2=O 13671512 CEDQNRBMGRLFFJ-KGURPWLMSA-N 400.647 6.690 0 1 HKAF CCCCCn1cc(C(=O)NC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)c(=O)c2ccccc21 13678329 GXVOMEXKBUSDHO-YFKJYVEOSA-N 420.597 5.671 0 1 HKAF CC1=C(O)/C(=C\[C@H](C)CC/C=C(/C)CCCc2coc(Cc3ccoc3)c2)OC1=O 18165027 YIWFEASCLZQHBJ-AHOBXOOOSA-N 410.510 6.421 0 1 HKAF CN(C)c1ccc(NC(=O)c2csc(Cc3c(Cl)cccc3Cl)n2)cc1 28530553 AXFJAOYHLOYOJS-UHFFFAOYSA-N 406.338 5.359 0 1 HKAF Cc1cc(NC(=O)OC(C)C)nn1Cc1cc(Cl)ccc1OCc1ccccc1 29043560 CKCKWQLHSQKPAK-UHFFFAOYSA-N 413.905 5.429 0 1 HKAF CCOC(=O)c1c(CN2CCCCC2)nc2ccc(Cl)cc2c1-c1ccccc1 35075997 MQRZCWJGUPUBOJ-UHFFFAOYSA-N 408.929 5.718 0 1 HKAF O=C(Nc1cccc(C(F)(F)F)c1)c1nscc1NCc1ccc(F)c(F)c1 40391077 UBHMADNCGMKZSP-UHFFFAOYSA-N 413.371 5.305 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 42887821 UGNNWZZLNDGUAB-LVDAEEOTSA-N 414.674 6.670 0 1 HKAF Cc1cnc(NCC2CCCCC2)nc1N[C@@H](CC(C)C)C(=O)Nc1ccccc1 45169020 MVFWQVCRFYSMHP-NRFANRHFSA-N 409.578 5.243 0 1 HKAF Cc1cc(F)ccc1N(c1nc(-c2cc(Cl)ccc2Cl)cs1)[C@@H]1CCNC1 45202738 BXURNVOFUXPLQN-OAHLLOKOSA-N 422.356 6.064 0 1 HKAF Cc1noc(NC(=O)N2CCC3(CC2)C[C@@H](c2ccc(Cl)c(Cl)c2)CO3)c1C 73161887 BKRHGHNOFQQHAI-OAHLLOKOSA-N 424.328 5.169 0 1 HKAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2ccccc2F)C1 82151506 FKJXCRQRDORTFX-RBUKOAKNSA-N 424.564 5.170 0 1 HKAF CN1CCC(COCc2cc(C(F)(F)F)cc(C3CC3)n2)(c2ccc(F)cc2)CC1 95591381 IATCLJLCYDIURR-UHFFFAOYSA-N 422.466 5.297 0 1 HKAF CC1(C)C=C(CNc2ccc3c(c2)Cc2cc(Br)ccc2-3)C(C)(C)N1[O] 102842408 OYSLCLCUQWNJBX-UHFFFAOYSA-N 412.351 5.577 0 1 HKAF Cc1nc(C)c(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)s1 138708023 CMFRHVILRJZCPE-UHFFFAOYSA-N 420.968 5.523 0 1 HKAF C[C@@H](C(=O)O)c1ccc(-c2cccc(OC(=O)NCCC3CCCCC3)c2)c(F)c1 143806972 HVZWYUCURZIENB-MRXNPFEDSA-N 413.489 5.740 0 1 HKAF Cc1ccc(-c2[nH]oc(=O)c2Cc2c(O)ccc3cc(Br)ccc23)cc1 169311781 AHRGKRKGUDCDSB-UHFFFAOYSA-N 410.267 5.155 0 1 HKAF CC1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CCO)[C@H](C(C)C)CC[C@]43C)[C@H]2[C@@H]1C 238739948 BTWZXBLQTPSGAR-AWFZETLFSA-N 414.718 7.882 0 1 HKAF CC(C)CC[C@@H](C)[C@@]1(C)CC[C@@]2(C)C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1[C@@H](O)C3 255260823 QHISKWZQHJJWLW-ISUWZLOPSA-N 416.690 6.894 0 1 HKAF CNc1ccnc(Nc2ccc3cc(C)n(-c4ccccc4Oc4ccccc4)c3c2)n1 584904964 VTOOSSZNUMLKNN-UHFFFAOYSA-N 421.504 6.307 0 1 HKAF in-vitro Cc1ccc2ccccc2c1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586883008 DZTBQZWBVWUKIP-UHFFFAOYSA-N 405.217 6.473 0 1 HKAF Fc1ccc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c2c1 587011080 GDTTYFHZXAHWIF-UHFFFAOYSA-N 419.912 6.737 0 1 HKAF CC(C)(C)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587028203 WOKQGDWJOVZRRW-HSQYWUDLSA-N 421.610 5.997 0 1 HKAF Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1 587048065 POUXCVLCDRITPS-HOTGVXAUSA-N 411.357 7.292 0 1 HKAF Cc1cc(Br)c2[nH]c([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2c1 587079878 LOWUGEMDNWMTBR-AWEZNQCLSA-N 403.711 5.011 0 1 HKAF Fc1cc2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2cc1Br 587084736 FXIYILANDDNDQX-UHFFFAOYSA-N 403.642 5.242 0 1 HKAF Cc1ccc(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1C(F)(F)F 587095036 NNAFGUADPRIMFY-UHFFFAOYSA-N 405.164 5.522 0 1 HKAF COC(=O)c1cccc(-c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)c1O 587097259 KCKJLVYYDONLMA-UHFFFAOYSA-N 409.441 5.222 0 1 HKAF COc1ccc([C@H]2CCCc3c2nc2cccc4c2c3-c2ccccc2C4=O)cc1F 587102580 ASTISFYFQROFKB-MRXNPFEDSA-N 409.460 6.062 0 1 HKAF COc1c(F)ccc(F)c1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587132318 AKERYBGVAFGWER-UHFFFAOYSA-N 411.246 5.314 0 1 HKAF Fc1ccc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1F 587144167 SSMFXLKYBRQMHW-UHFFFAOYSA-N 415.237 5.850 0 1 HKAF Cc1cc(Br)c2nc(-c3ccc(F)cc3-c3ccc(C=O)cc3)[nH]c2c1 587158601 PNKDXFIYMPWILE-UHFFFAOYSA-N 409.258 5.919 0 1 HKAF COc1ccc([C@H]2C[C@@H]2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587348663 HKJOOLJOYYCMLL-MXRVMPPXSA-N 418.464 5.461 0 1 HKAF CC[C@]1(c2ccc(OC(C)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351779 NGFOHZOJOAUJHO-ILBGXUMGSA-N 420.436 5.121 0 1 HKAF COc1ccc2c(c1)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354432 UQRDRCQDEYSREN-ILBGXUMGSA-N 404.437 5.131 0 1 HKAF C[C@@H]1C[C@H](c2ccccc2)C[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355793 WDIQWLJVZXYGJT-LPDRVBAHSA-N 416.492 6.233 0 1 HKAF COc1cccc(-c2c(C3CCC4(CC3)OCCO4)cnc3c2oc2ccccc23)c1 587365428 LZYCWSVNIJRTTO-UHFFFAOYSA-N 415.489 6.057 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(F)F)c(OC(F)F)c1)CC2=O 587467886 UZBLNXDZGNMPMW-MRXNPFEDSA-N 414.351 5.254 0 1 HKAF COc1c(Br)cccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587500601 SYBVFTFPYCRVBD-OAQYLSRUSA-N 401.300 5.217 0 1 HKAF COc1ccc(C(C)(C)C)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596403 VMMRCVJLKDFZBY-QPPBQGQZSA-N 404.462 5.401 0 1 HKAF COc1ccc(C(C)(C)C)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596405 VMMRCVJLKDFZBY-URXFXBBRSA-N 404.462 5.401 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(SC2CCCCC2)o1 587611929 HQASVYRTIXGQJH-XUZZJYLKSA-N 422.502 6.113 0 1 HKAF Cc1cc(Cl)cc2c(Nc3cccc(C(F)(F)F)c3)c(-c3ccccc3)[nH]c12 587624279 JCSZMKWFIRRSMX-UHFFFAOYSA-N 400.831 7.559 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3ccc(Cl)cc23)N1 587697082 LLSPTHPLCGGAKZ-OVWNDWIMSA-N 407.714 5.521 0 1 HKAF Cc1nc(C(F)(F)F)ccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587710095 BOSNKTWJKIKIPU-VVVCHXIZSA-N 417.244 5.108 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)cc2C(F)(F)F)N1 587711561 LABZFBXJKFEDFK-HUTHGQBESA-N 418.228 5.110 0 1 HKAF CC(=O)n1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587756417 KTLVAJKEFACEJD-LAJNKCICSA-N 415.306 5.001 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ccc(C(C)(C)C)cc32)N1 587816763 CUWLVYFQNPLSAK-PSLXWICFSA-N 416.378 6.000 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccc(-c3ccccc3)cc2)N1 587820977 RTLREPYEKLSYEZ-ZHRRBRCNSA-N 424.357 6.463 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2C2CCCCC2)N1 587821746 XICYVLKAMUYOHH-JLCFBVMHSA-N 402.351 6.260 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H]2C(=O)c2ccccc2)N1 587824115 UOLRCDOCJIHRAL-FQWGINHLSA-N 402.307 5.001 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(Br)c2)N1 587846481 HTYVGIZJKRIYBU-WJWGPLDTSA-N 405.130 5.036 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCSc3ccc(Cl)cc32)N1 587858675 SVANQUFCZHRXRA-YPMLDQLKSA-N 412.755 5.515 0 1 HKAF CS(=O)(=O)Nc1ccc(-c2csc(-c3ccc(-c4ccccc4)cc3)n2)cc1 587924059 BCOQABMZUSQXGD-UHFFFAOYSA-N 406.532 5.516 0 1 HKAF COc1cc(O)cc(-c2cccc(-c3nc4cc(Br)c(C)nc4[nH]3)c2)c1 587933244 VYQUUGXRHVCYMT-UHFFFAOYSA-N 410.271 5.077 0 1 HKAF Oc1cc(-c2ccc(F)cc2)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 587944229 AOPOHZQIWBEUKJ-UHFFFAOYSA-N 419.427 6.115 0 1 HKAF CCCOc1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cc1Br 587950549 MSLQQJFTEFQXLF-UHFFFAOYSA-N 419.363 5.600 0 1 HKAF COc1ccc2cc([C@H](C)c3nnc4n3N=C(c3ccc(F)cc3)CS4)ccc2c1 653689983 KFEXOZPDUQQSJM-AWEZNQCLSA-N 418.497 5.089 0 1 HKAF COc1cccc([C@@]2(O)c3ccc(-c4ccccc4C)cc3CC[C@@H]2CN(C)C)c1 653817000 PUVJJAODAKOSMB-KCWPFWIISA-N 401.550 5.031 0 1 HKAF COc1cc2c(cc1OC)[C@@](c1ccccc1Cl)(c1ncccc1C)N(C)[C@H](C)C2 962635172 RBHPEJFPSFSIMH-NSYGIPOTSA-N 422.956 5.229 0 1 HKAF CN1C(=O)C[C@@H]2CN[C@@H](c3ccc(OCc4ccccc4Cl)cc3)c3cccc1c32 963015806 BGAPEANNNFVDKH-CJAUYULYSA-N 418.924 5.062 0 1 HKAF CSc1ccc([C@]2(CCCCC(=O)O)c3c(F)cccc3C[C@H]3CCCN32)cc1 963087638 DHRCVTBKIIVBDM-NTKDMRAZSA-N 413.558 5.457 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@@]2(NCCc3c(Cl)cc(Cl)cc32)c2ccccc21 963105499 JZUVCARXRZCGNV-JOCHJYFZSA-N 419.352 5.528 0 1 HKAF O=C(O)Cc1ccc(NCc2cc3cccc(-c4ccc5ccccc5c4)c3s2)cc1 1772657901 HTCVJRAVTBZEGL-UHFFFAOYSA-N 423.537 6.961 0 1 HKAF CC1=C[C@H](CNC(=O)C2CCCCC2)[C@@H](C(C)C)C[C@H]1Cc1nc2ccccc2n1C 2356285961 CKUWXHPABRINRZ-YTFSRNRJSA-N 421.629 5.667 0 1 HKAF C[C@H]1CN=C(C(=O)[C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C1 2356390852 FLJSFXUJSLIIFB-QAQWBMEXSA-N 413.646 5.692 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356413496 YYVUMXYSCXRWIL-PIVUOEQUSA-N 416.690 6.584 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@]4(C)[C@@H]5CCC(=O)C(C)(C)C5=CC[C@@H]43)[C@@H]2C1 2356481401 PAVVMAYETSJFLL-BQLIJCKSSA-N 410.686 7.987 0 1 HKAF CO[C@]1(C(C)C)C=C2[C@@H](CC1)[C@@]1(C)CCC[C@@](C)(COC(C)=O)[C@H]1C[C@H]2OC(C)=O 2356575768 AJRWAVGXZFZZSG-QRCODTGVSA-N 420.590 5.075 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCC[C@]1(C)CCc2c(cc(C)c(O)c2C)O1 2356580068 KNOLXXFWGWYXEX-MUUNZHRXSA-N 410.642 8.292 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)C3=CC[C@]21C)C(C)C 2356640183 RBKDJWIIGGRRML-MYSNMCIUSA-N 408.670 7.641 0 1 HKAF CCCCNc1c(-c2ccc(S[C@H](C)CC)c(OC)c2)nc2ccc(Cl)cn12 61959557 FIOVIMWCCCAKEJ-OAHLLOKOSA-N 418.006 6.766 0 3 HKAF CO[P@](=O)(C(=O)Nc1ccccc1)[C@H](CC(C)C)NC(=O)OCc1ccccc1 200551053 XAXSUNCAIYFETB-XBBWARJSSA-N 418.430 5.442 0 3 HKAF CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=CN(OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 4266166 MCCHTMOHYJPGQT-GBXCKJPGSA-N 420.465 5.082 0 1 HKAF biogenic COc1cc(OC)c(-c2ccc(OC)c3c(OC)cc(C)cc23)c2c1C(C)=N[C@@H](C)C2 13359134 MIMNIDIHOQDTFD-HNNXBMFYSA-N 419.521 5.603 0 1 HKAF biogenic,in-vitro Cc1c(Cc2c(Cl)cccc2Cl)nc(SCc2ccc(F)cc2)[nH]c1=O 13677544 MWYZLIPDIXYJRO-UHFFFAOYSA-N 409.313 5.407 0 1 HKAF CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2cccc(C)c2C(=O)O)cc1 13823661 KSCJBKAVQXKTFU-UHFFFAOYSA-N 412.917 5.093 0 1 HKAF Fc1ccc2c(CCCCN3[C@H]4CC[C@@H]3c3c([nH]c5ccc(F)cc35)C4)noc2c1 13827354 RKKLLFDATFBVDR-KSFYIVLOSA-N 407.464 5.672 0 1 HKAF CC[C@@H](c1ccccc1)c1c(O)c2c(oc1=O)[C@H](Cc1ccccc1)CCCCCC2 27520581 QEYQUQCTTUQQLK-GOTSBHOMSA-N 416.561 6.720 0 1 HKAF C/C=C/[C@@H]1C=Cc2c3c(c4oc(=O)c(Cl)c(CCC)c4c2O1)C(=O)C[C@@H](C)O3 29133697 PETZJDWWZFWEAM-WBIIUDBISA-N 400.858 5.103 0 1 HKAF CSc1ccc(O)c(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)c1 29215310 MHPFUJOBZPSDGY-UHFFFAOYSA-N 420.317 6.466 0 1 HKAF COc1ccc([C@@](c2ccccc2)(c2ccc(CN3CCCC3)cc2)n2ccnc2)cc1 35246382 GINRUBVJPLXTNH-MUUNZHRXSA-N 423.560 5.328 0 1 HKAF FC(F)(F)c1ccc(-c2nc3cc(-c4ncccc4C(F)(F)F)ccc3[nH]2)cc1 38156653 VWNQXJULVBPFAX-UHFFFAOYSA-N 407.317 6.330 0 1 HKAF Cc1cc(Sc2ccc(O)cc2)c2ncc(CSCCc3ccccc3)n2c1 40938548 LKIGSNDYCQEKOL-UHFFFAOYSA-N 406.576 5.975 0 1 HKAF OCCCCCCNc1ccc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n2c1 43067033 JIWLCURWNKGXRO-UHFFFAOYSA-N 404.489 5.167 0 1 HKAF Oc1ccc2nc(NCCCc3ccccc3)nc(NCCCc3ccccc3)c2c1 45188713 MMESXYSNARPRLO-UHFFFAOYSA-N 412.537 5.425 0 1 HKAF Nc1ccccc1NC(=O)c1ccc(CNCc2ccc(-c3cccs3)cc2)cc1 49802552 BJPILQMJYIUOQY-UHFFFAOYSA-N 413.546 5.539 0 1 HKAF CNc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccccc2)s1 64516519 MTVFXXDEDUNYME-UHFFFAOYSA-N 410.502 5.218 0 1 HKAF CCCCCn1c(CC(C)C)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 82178949 RPZWMEGPEDJMNE-UHFFFAOYSA-N 419.495 5.846 0 1 HKAF Fc1ccc(-c2nn(-c3ccccc3)cc2C2=NN[C@H](c3ccc(F)cc3)C2)cc1 84757588 ILQFVJFCPKXCMQ-QFIPXVFZSA-N 400.432 5.256 0 1 HKAF COc1cc(-c2nc(C3CCC3)n3ccnc(N)c23)ccc1Oc1cccc(F)c1 96168071 XNDVXIQPQQCEMF-UHFFFAOYSA-N 404.445 5.186 0 1 HKAF CO[C@H]1CC[C@H](C(=O)Nc2cc(-c3ccnc(Nc4ccc(F)cc4)c3)ccn2)CC1 100036246 ACGBFWCBVIXTPZ-NBEIKUQISA-N 420.488 5.170 0 1 HKAF in-vivo C=Cc1cccc(C(=O)Nc2cc3nc(C4CCCCC4)[nH]c3cc2N(CC)CC)c1 103255838 HJAJRSJTIIFTGW-UHFFFAOYSA-N 416.569 6.352 0 1 HKAF O=C(O)c1cccc2c1oc1c(C(=O)O)ccc(-c3cc(Cl)cc(Cl)c3)c12 137003396 JPGLEWKTMCBDMB-UHFFFAOYSA-N 401.201 5.956 0 1 HKAF CC(C)=CCC[C@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@H]1C(=O)C3 255201446 CALSSZVDBCEOTA-UJYYBYJFSA-N 424.669 7.476 0 1 HKAF C[C@H](c1cc(O)c2c3c(c(=O)oc2c1)CC[C@@H](C)C3)[C@H](C)CCCc1ccc(F)cc1 299849632 OBHCTNGAKXZLER-KURKYZTESA-N 422.540 6.525 0 1 HKAF Cc1cc(OCCCc2c(C(=O)O)n3c4c(cccc24)SCC3)ccc1Cl 299852811 XWIOEODLFVLVCY-UHFFFAOYSA-N 401.915 5.419 0 1 HKAF Cc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2C)o1 299882657 QCNGKIHVIWXGMX-SGLNWRHMSA-N 402.542 5.898 0 1 HKAF Oc1ccc(-c2ccc(OCc3ccc4ncccc4n3)cc2)c(-c2ccc(F)cc2)n1 473154321 GFIFCPUFIMMIKP-UHFFFAOYSA-N 423.447 5.783 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@H](C)SCc4ccccc4)[nH]c3c2)cc1 586963447 NYRLGZXVPFEJEG-INIZCTEOSA-N 418.518 6.136 0 1 HKAF C[C@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1nc2ccccc2s1 586994131 VXHYIWLQKUWYJJ-CYBMUJFWSA-N 408.482 5.913 0 1 HKAF Cc1cc(F)c2[nH]c([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)nc2c1 587031681 PBLOJQOHHGDZJK-ODYDIQAQSA-N 402.520 5.137 0 1 HKAF O=c1ccc(-c2nc3cc(F)cc(F)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587056386 MIVBQZKIYFFFSB-UHFFFAOYSA-N 406.219 5.025 0 1 HKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(F)cc(Br)cc2[nH]1 587066827 SWNGWLFYSCBFBI-UHFFFAOYSA-N 404.670 5.884 0 1 HKAF Fc1cc2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc2cc1Cl 587068338 RIJLWKLTGXAPPW-UHFFFAOYSA-N 413.239 6.122 0 1 HKAF Clc1ccc(C2=C[C@@H](c3nc4cc(Cl)cc(Br)c4[nH]3)ON2)cc1 587076071 HTPDBOJUFMTWLI-AWEZNQCLSA-N 411.086 5.249 0 1 HKAF Cc1cccc(-c2nc3c(C)ccc4c3c(c2CCC(=O)O)-c2ccccc2C4=O)c1 587099944 ACLYXDYMQMNWPF-UHFFFAOYSA-N 407.469 5.747 0 1 HKAF CC(=O)[C@H](C/C=C/c1ccccc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587100064 ZJIYGDYSZNRZHJ-MAIVGLDJSA-N 417.508 6.531 0 1 HKAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cccc(Cl)c2[nH]1 587124466 YADYYCXVGKHRNG-UHFFFAOYSA-N 409.820 6.214 0 1 HKAF Cc1c(Br)cc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2c1C 587145097 HMWMUTQUTGUSGW-UHFFFAOYSA-N 413.265 6.554 0 1 HKAF CC(C)(C)c1ccc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2c1 587155394 YGNCNTFPXPJBLI-UHFFFAOYSA-N 423.513 5.467 0 1 HKAF CC(C)(C)[C@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333751 HYKQJWOYESMQMU-RCZVLFRGSA-N 405.469 5.414 0 1 HKAF CCCCOC(=O)[C@H]1CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587362078 DDWHWXOHRBOFTN-FQEVSTJZSA-N 415.489 6.030 0 1 HKAF CCCCC[C@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 587370235 CSAJWMVNEWKIJF-OAQYLSRUSA-N 402.332 5.781 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(Cl)cc3)cc3ccccn13)O2 587380655 WWTFPWAPUWHBRW-QFIPXVFZSA-N 402.881 5.857 0 1 HKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccc(Cl)cc1CCc1cccnc12 587500668 NAWFTQOMBLMCCU-AREMUKBSSA-N 415.920 5.621 0 1 HKAF CCOC(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522113 FYBPAQLCRYYGPJ-PCGJDWNTSA-N 418.533 5.416 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1Cc1ccccc1F 587570323 VHWFTIWALJJGCN-WIOPSUGQSA-N 415.420 5.084 0 1 HKAF Cc1ccc2c(c1C)OCCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609203 MXIWRFFTGKIOCM-OFVILXPXSA-N 402.446 5.039 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(C2CCCCC2)s1 587612301 LVOBBOVWDKJMFA-UGKGYDQZSA-N 407.491 5.599 0 1 HKAF CCOc1ccc(-c2nn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)cc1OCC 587669709 WNJXYSOMUQCYTQ-UHFFFAOYSA-N 420.896 5.504 0 1 HKAF Cc1ccc([C@@]2(c3ccccn3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587770068 HXKFLSQYSNJGTB-IVZQSRNASA-N 411.318 5.118 0 1 HKAF COc1ccc2[nH]cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1C 587795410 WZIHHJPIWIIVBP-SBKAZYGRSA-N 403.295 5.010 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC2CCCC2)(c2ccccc2)N1 587814122 GCZGQJIPIVNCNV-QRQCRPRQSA-N 402.351 5.946 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2(c3ccccc3)CCCC2)N1 587814153 GKDQYGXABAXLCV-YCRPNKLZSA-N 402.351 5.850 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCCC(=O)O)(c2ccccc2)N1 587827610 LDQBEPJEVMXYEA-QKKBWIMNSA-N 420.322 5.011 0 1 HKAF Cc1ccc(C2(c3ccc(C)o3)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587828084 MDFAYBQNDGUUGA-NSHDSACASA-N 404.279 5.217 0 1 HKAF Cc1sc(N)c([C@@]2(C3CC3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587843272 IBZOVZZIXBZWSC-AYLIAGHASA-N 409.368 5.037 0 1 HKAF CSc1ccc(-c2csc([C@@H]3CCCN(C(=O)OCc4ccccc4)C3)n2)cc1 587924800 JWSMPPPJQWEJEY-LJQANCHMSA-N 424.591 6.048 0 1 HKAF O=C(O)CCCCCCCCCCCCc1nc2c(Br)ccnc2[nH]1 587956575 GHAQWBFOKOYYIX-UHFFFAOYSA-N 410.356 5.639 0 1 HKAF Cc1cccc(C)c1[C@H]1CCC[C@]2(C1)NC1(CC1)Cc1ccc(Br)cc12 961319311 HOFLWMPHPUAGBG-YADARESESA-N 410.399 6.297 0 1 HKAF CCC(C)(C)[C@]1(c2ccc(SC)cc2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962641288 ZSHLEZLSYHPUFP-GKVSMKOHSA-N 413.627 5.982 0 1 HKAF c1ccc(-c2cccc3c2[C@@]2(C[C@@H](c4ccccc4)Oc4ccccc42)NCC3)cc1 962672335 XZCJXPYNUVAQHL-YTMVLYRLSA-N 403.525 6.267 0 1 HKAF CCCCc1ccc([C@@]2(c3ccc(C)cn3)N[C@@H](CC)Cc3c2[nH]c2ccccc32)cc1 962949322 LMRDADGPMRIAPS-IADCTJSHSA-N 423.604 6.430 0 1 HKAF Cc1ccc([C@@]2(Cc3ccc(Cl)cc3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963020310 FNOQSJVGBBZLQE-AFMDSPMNSA-N 416.952 5.188 0 1 HKAF CCOC(=O)CCCC[C@]1(c2ccc(F)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963112562 TZOGKKPMNLGSLX-RDGATRHJSA-N 413.508 5.352 0 1 HKAF O=C(O)c1ccc(CNCc2cc3cc(-c4ccc5ccccc5c4)ccc3s2)cc1 1772570274 LZCNYSKXQPCDBV-UHFFFAOYSA-N 423.537 6.710 0 1 HKAF COc1ccc(COc2cc3c(cc2-c2ccc(C(F)(F)F)cc2)C(=O)CO3)cc1 1772574155 KXRXGFUGGMYLIZ-UHFFFAOYSA-N 414.379 5.535 0 1 HKAF CC(C)(C)c1nc(Nc2cccc(Cl)c2)sc1Cc1ccc2c(c1)OCO2 1772602449 GEROGQONOKJJFO-UHFFFAOYSA-N 400.931 6.157 0 1 HKAF CC=C(C)C(=O)OC[C@H](C)[C@@H]1[C@@H](O)C=C(C)CCC=C(C)C[C@H]1OC(=O)C(C)=CC 2356440964 YUEOTHPHUBXRFE-MYDTUXCISA-N 418.574 5.064 0 1 HKAF CC(=CCCC(C)C)[C@@H]1CC[C@]2(C)C1=CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]12C 2356565261 SXTIDPQFHVNBMX-XGAKGTGQSA-N 424.713 8.543 0 1 HKAF C1=CCCCCN2C[C@@]34CCCCCCCCCCCN(C[C@H]5CC(=CC1)[C@H]2C[C@H]53)C4 2356642972 AXZOZMSDLYMXPA-OLQMUTRHSA-N 424.717 6.970 0 1 HKAF CC1(C)CCc2cc3c(cc2O1)OC(C)(C)[C@H]1c2c(ccc4c2CCC(C)(C)O4)O[C@@H]31 1617588 RBXIIYKLGLKWAW-ZEQRLZLVSA-N 420.549 6.282 0 1 HKAF CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N1CCOCC1 4215569 SGRSKAQWPPTBLO-LOSJGSFVSA-N 420.553 5.226 0 1 HKAF CCOC(=O)N1CCC(c2ccccc2)(c2nccn2[C@@H](C)c2ccccc2)CC1 11687364 AZPCCLQAOVOOKT-FQEVSTJZSA-N 403.526 5.031 0 1 HKAF O=C(Nc1ccccc1C(=O)O)c1ccc(-c2ccccc2)c(Oc2ccccc2)c1 12341149 RYMAXBJFTSZAJG-UHFFFAOYSA-N 409.441 6.096 0 1 HKAF Clc1cccc(Nc2cncc(-c3cncc(NCCCc4ccncc4)c3)n2)c1 13648344 WYCDDSZFBQZASO-UHFFFAOYSA-N 416.916 5.375 0 1 HKAF CC1=CC(=O)O[C@H](CSc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)[nH]2)C1 13730528 VBXYZAHREOVTKF-SFHVURJKSA-N 412.461 5.376 0 1 HKAF Nc1ncc2cc(-c3cccc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)ccc2n1 34629941 CXKAZUAJKXLXMU-UHFFFAOYSA-N 408.383 5.150 0 1 HKAF Cc1nc(-c2cccnc2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1 35968957 SQRYZHXHZZAKRK-QGZVFWFLSA-N 414.578 5.756 0 1 HKAF COC(=O)[C@](C)(Oc1ccc(Cl)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 39242770 GCQBDFHOIXLQMV-JOCHJYFZSA-N 417.288 6.253 0 1 HKAF Nc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)N[C@@H](c1ccccc1)C1CC1 40410885 ZKGNLARKIMWKFE-DEOSSOPVSA-N 411.480 5.504 0 1 HKAF COc1ccc(-c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1CNC(C)C 45195394 BOCCWZVGALYXAF-UHFFFAOYSA-N 408.929 5.766 0 1 HKAF CC(C)Cc1ccc(C(C)(C)c2nc3ccccc3n2Cc2ccccc2Cl)cc1 84723484 UNLHPUFPPFAPRJ-UHFFFAOYSA-N 416.996 7.262 0 1 HKAF Cc1cc(C2=NN(C(=O)Nc3ccccc3)C[C@@H]2Cc2ccccc2)ccc1Cl 95579412 ZTCBBXBKENLBTH-FQEVSTJZSA-N 403.913 5.759 0 1 HKAF O=C(O)[C@H]1CCCN(CCC/C=C/c2ccccc2-c2ccc(Cl)cc2Cl)C1 95596865 VLYVVKVWOZWWGI-OMIQGHKFSA-N 418.364 6.250 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3 96014910 SCEZIHJVTBQOLS-OQJFRWBTSA-N 400.691 7.779 0 1 HKAF COC(=O)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1 96270429 QTRQYFCAAHDIDR-UHFFFAOYSA-N 405.266 5.077 0 1 HKAF CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccsc2)C2=C(O)CC(C)(C)CC2=N1 100630643 JVHDGAAXISWKOF-FQEVSTJZSA-N 410.514 5.970 0 1 HKAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2ccc(Cl)cc2)[C@@H]2CC[C@@H]1C2 102177959 LXTJSOWJRUNEQA-GFWRIYLXSA-N 418.961 5.499 0 1 HKAF COc1ccc(C)cc1C1=C(Br)C(=O)O/C1=C\c1ccccc1Cl 103259307 JHESUPKLWPBSAG-YBEGLDIGSA-N 405.675 5.361 0 1 HKAF COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(O)=C2[C@H]1c1ccccc1C 104698767 YNTNKCZDTKUEJF-QHCPKHFHSA-N 402.494 5.451 0 1 HKAF C[C@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 137523537 DBSJYKLREKUIIH-KFVUNHBVSA-N 420.678 5.412 0 1 HKAF Cn1nc(-c2ccccc2F)cc1-c1cnc(NC(=O)c2ccccc2Cl)s1 142571379 AEYLQNRHBCLWPZ-UHFFFAOYSA-N 412.877 5.255 0 1 HKAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1ccc(F)c(-c2ccccn2)c1 167097256 VQPLFRGCTPINBH-IERDGZPVSA-N 420.484 5.015 0 1 HKAF COc1cc(O)c(-c2c(C)cc(O)c3c(OC)cccc23)c2c1[C@@H](C)N(C)[C@@H](C)C2 209135997 JYDUXYXOEDHAMY-LSDHHAIUSA-N 407.510 5.181 0 1 HKAF Cc1c(O)c2c(c3c1OC(C)(C)C=C3)OC[C@@H](c1ccc(O)c3c1OC(C)(C)C=C3)C2 238764156 JITKVSXJVUXXQE-HNNXBMFYSA-N 420.505 5.493 0 1 HKAF CC(C)=CCC/C(C)=C1\CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]12C 255213334 GPZIDTBDDBXXAW-BYPLLNRFSA-N 410.730 9.508 0 1 HKAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c2)cc1 586879495 GJPURHKNRBVTPY-UHFFFAOYSA-N 418.500 5.931 0 1 HKAF OCc1ccccc1-c1cccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 586894764 CJBWSGDTRVTYEJ-UHFFFAOYSA-N 406.485 5.968 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1c(Br)cccc1C3 586987063 YQHFGIASOKPSEA-UHFFFAOYSA-N 414.258 5.486 0 1 HKAF Clc1ccc(CC/C(=C\c2nc3ccc4c(c3[nH]2)CCCC4)c2ccccc2)cc1 587073022 CUJYCDOBIMFLKY-RELWKKBWSA-N 412.964 7.269 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587073313 BKUYYAJKPHJNFE-UHFFFAOYSA-N 424.931 7.438 0 1 HKAF CCCCCOc1cc2nc([C@H](C)n3cc(Cl)cn3)[nH]c2cc1Br 587080730 XWRIWRLPMFRIQJ-NSHDSACASA-N 411.731 5.354 0 1 HKAF CSc1ccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2c1 587082374 LYSMTPYFKFDOOR-UHFFFAOYSA-N 417.921 6.526 0 1 HKAF Clc1cccc2c(-c3nc4cc5c(cc4[nH]3)OCCO5)cc(-c3ccccc3)nc12 587082932 XAJUKVHAQFEELY-UHFFFAOYSA-N 413.864 5.870 0 1 HKAF CCCCCOc1cc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2cc1Br 587175356 YPAWGRIRUUVLPB-LJQANCHMSA-N 419.294 5.710 0 1 HKAF Cc1c(O[C@H](C)c2cc3c4c(cccc4n2)CC3)ccc2c3c(c(=O)oc12)CCCC3 587216025 QORFEDHYPQIYCR-MRXNPFEDSA-N 411.501 5.767 0 1 HKAF NCc1cccc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 587246174 LFPBPEXDZMTNFE-UHFFFAOYSA-N 408.299 5.030 0 1 HKAF C[C@]1(c2cnc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328960 LEALHIWOAPQNER-GHTZIAJQSA-N 418.251 5.507 0 1 HKAF C[C@@]1(COc2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337022 UOKUKMWGVMYFNF-GMAHTHKFSA-N 414.379 5.006 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]3C(=O)OC(C)(C)C)c1 587362797 KPHHPUVDLKEXLO-QGZVFWFLSA-N 401.462 5.638 0 1 HKAF CC(C)Sc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587369324 FXCVFQKNTCSONB-NOZRDPDXSA-N 422.521 6.306 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(-c3ccccc3)c3cc(Cl)ccc3n1)O2 587378382 BOKAFRCDQUNZFS-OAQYLSRUSA-N 415.880 5.547 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cn1ccnc1C(C)C)(c1ccc(C)c(C)c1)O2 587392356 YYJAKCCEIRAHKN-VWLOTQADSA-N 403.526 5.075 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(CCc1c(C)nc4c(C)cccc4c1Cl)[C@@H](C2)C3=O 587424453 ZPBBDCLTSYAOJR-DFBJGRDBSA-N 421.924 5.653 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(-c4cc(C)ccc4C)cc4ccccn14)[C@@H](C2)C3=O 587436080 NCYUNKBBFKFMEY-WXVAWEFUSA-N 409.485 5.720 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(CCc1ccc(Br)cc1)CC2=O 587459860 ZENGMRJFOZIKAO-OAQYLSRUSA-N 403.316 5.464 0 1 HKAF CN(C)/C=C/[C@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510996 ZKPQDNLMFRZRQJ-YAOQVBECSA-N 415.455 5.520 0 1 HKAF O=C1C[C@H](c2cc(C(F)(F)F)ccc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587511002 ZMKBYKQWFRHNME-GOSISDBHSA-N 414.345 6.310 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 587552108 NMXYWEDPWWZKIQ-ZJSXRUAMSA-N 418.832 6.009 0 1 HKAF CCCN(CCC)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587573952 VJWWLCQCNCJBEP-JYFHCDHNSA-N 417.505 5.722 0 1 HKAF CC[C@@]1(c2ccc(OC(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596267 QFRNOHHDBFCVIE-RDGATRHJSA-N 404.462 5.447 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)C1CCCCC1 587601408 FTWINYFBEGYGAL-SHQCIBLASA-N 414.501 5.916 0 1 HKAF C[C@]1(c2nc(-c3ccccc3)cs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610216 FIWVSGXIHYTVOD-YKSBVNFPSA-N 415.470 5.393 0 1 HKAF Cc1cc(C)c2[nH]c3c(c2c1)CC[C@]31N[C@@H](C)Cc2ccc(F)c(Br)c21 587803333 PDJRWHJPXPVURS-WHEQGISXSA-N 413.334 5.410 0 1 HKAF CC/C=C\C[C@H]1[C@H](CC(=O)O)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587829625 RNYXARJDJOEHIY-FFLRKUEXSA-N 424.354 5.175 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3cccs3)cc2)N1 587852875 NVOYZJJGFQPYOT-LRTDBIEQSA-N 416.359 6.114 0 1 HKAF COc1ccc(C)cc1NC(=S)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587863507 MBBLKJVBBXBVIW-UHFFFAOYSA-N 421.444 5.140 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccc(-c2cccs2)n1 587867291 WIINVBRRMVHYKX-UHFFFAOYSA-N 416.428 5.475 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]12CCCCCCC21CC1 961752880 WBKAGQGQNWDSSE-SANMLTNESA-N 410.602 6.168 0 1 HKAF COc1ccc2c(c1OC)[C@@](c1ccccc1)(c1cccc3cc[nH]c13)N(C)[C@H](C)C2 962616729 AMZKTPLPBCYKJI-DNOBIOAJSA-N 412.533 5.353 0 1 HKAF CCCc1ccc([C@@]2(c3cnc4ccccc4c3)NCCc3c2sc(C)c3C)cc1 963015440 BGJJJYVWUQAQLA-MHZLTWQESA-N 412.602 6.303 0 1 HKAF O=C(O)C[C@@H](c1cccc(-c2cccc(OCc3ccccc3)c2)c1)c1nccs1 1772613424 UBBMIJGMBAYPCT-QHCPKHFHSA-N 415.514 5.996 0 1 HKAF CC(=C[C@H](C)[C@@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)[C@H](C)C(C)C 2356459327 IBLYVOWFIMIDBP-HRDNDGNCSA-N 412.702 7.945 0 1 HKAF CC(=CC[C@@H](O)C1=CC(=O)OC1)CCC=C(C)CCC1=C(C)CCC(=O)C1(C)C 2356535809 AWUVHJURSARGNS-JOCHJYFZSA-N 400.559 5.379 0 1 HKAF CC(=CCCC1=CC[C@H]([C@H]2COC(=O)C2)O[C@H]1O)CCC1=C(C)CCCC1(C)C 2356630705 AIPOJIGVVVFLQI-KIFXHHALSA-N 402.575 5.617 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C=C[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C 2356704582 ZFRLPKWDPDXIMP-OOTWBERBSA-N 410.686 7.577 0 1 HKAF CC(=CCCc1ccoc1)CCC=C(C)CCC[C@@H](C)C[C@@]1(O)C=C(C)C(=O)O1 2356791326 INSCVBGXYZLIFV-BWKNWUBXSA-N 400.559 6.273 0 1 HKAF O=C1N=C(c2ccccc2)/C(=C2/Nc3ccccc3S2)[C@@H](c2ccc(F)cc2)N1 103864182 KUKGEMMYGBNOQD-OBVHCKHUSA-N 401.466 5.509 0 3 HKAF CN(C)CCCCCCN1CCc2cc(Cl)c(O)cc2[C@H](c2ccccc2)C1 1887584 ZTSNZIXPBUGZCP-QFIPXVFZSA-N 400.994 5.158 0 1 HKAF CC1(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]4(C)c5cccc6[nH]cc(c56)C[C@H]34)[C@]2(C)CC[C@H]1O 5765816 DRNNQNUPQAJBQZ-DIADYQGESA-N 405.626 6.611 0 1 HKAF O=C(COc1c(Cl)cc(Cl)cc1C(=O)c1ccccc1)Nc1ccccc1 13741296 PXAAXMXQMZUXLJ-UHFFFAOYSA-N 400.261 5.242 0 1 HKAF CCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOC 13766117 KDHDLCAGLCQLAO-RPHFINAJSA-N 417.678 7.311 0 1 HKAF CC(C)=CCc1c2c(c(O)c3c1O[C@H](c1c(O)cccc1O)CC3=O)C=CC(C)(C)O2 14618619 WHHZACYYTYNGSW-IBGZPJMESA-N 422.477 5.203 0 1 HKAF biogenic,in-vitro C[C@@H]1CN(C[C@@H](C)n2cc(C(=O)c3cccc4ccccc34)c3ccccc32)CCO1 26484952 QHEXMQRSPDIKKB-WOJBJXKFSA-N 412.533 5.307 0 1 HKAF NC(=O)Cc1cccc(-c2cnc(N)c3c(-c4ccc(F)c(Cl)c4)csc23)c1 28884773 ZZIVBYYMVGFJPZ-UHFFFAOYSA-N 411.889 5.033 0 1 HKAF C[C@]12CC[C@@H]3[C@]45CCC[C@](C)(C(=O)OC4)[C@H]5CC[C@@]3(C)[C@@H]1Cc1cc(O)ccc1O2 29134159 HFVKLEZASUROTL-RLECCPAVSA-N 410.554 5.262 0 1 HKAF CC(C)c1ccc(S(=O)(=O)n2ccc([C@@H](O)c3ccc(Cl)cc3Cl)c2)cc1 29569316 CRZNRDNUROLRLM-HXUWFJFHSA-N 424.349 5.237 0 1 HKAF Cc1cccc(C2(N3CCC4(CC3)C(=O)NC[C@H]4c3ccc(F)cc3)CCCCC2)c1 36222069 AHHHFIOUWFYJQZ-DEOSSOPVSA-N 420.572 5.289 0 1 HKAF COC(=O)[C@@H](Oc1ccc(C(C)(C)C)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 39242678 LGZZVALEYOJJDH-QHCPKHFHSA-N 424.924 6.723 0 1 HKAF C[C@H]1C[C@@H](C)CN(Cc2ccc(-c3ccc(CN4C[C@@H](C)C[C@@H](C)C4)cc3)cc2)C1 40566995 LJPGMCFDZQFOND-WAPCQROESA-N 404.642 6.309 0 1 HKAF CS(=O)(=O)c1ccc(-c2cnc(Oc3ccccc3)nc2-c2ccc(F)cc2)cc1 43024163 HCRPRSDKVMDMBK-UHFFFAOYSA-N 420.465 5.146 0 1 HKAF Fc1cccc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)c1 45260819 ACKPAHHAXXGOOC-UHFFFAOYSA-N 423.904 5.975 0 1 HKAF COc1ccc(Nc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)cc1 45283300 SUXXOTJQDOHOGI-KJYTXNCISA-N 416.609 6.297 0 1 HKAF O=C(NCCCc1ccncc1)N(CCCC1CCCCC1)CCC1CCCCC1 58603223 IZFDWQFZCBTURK-UHFFFAOYSA-N 413.650 6.357 0 1 HKAF O=C(NCc1ccccc1)c1cc2ccccc2c(Nc2cccc(C(F)(F)F)c2)n1 66262905 CRZWWOABNKVWHU-UHFFFAOYSA-N 421.422 5.927 0 1 HKAF CC(C)SCCOc1ccc2c(c1)C(=O)c1cc(OCCSC(C)C)ccc1-2 96927420 CVSRRTLZORVHKQ-UHFFFAOYSA-N 416.608 5.939 0 1 HKAF C[C@@H]1CC[C@@]2(C)CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C 100780304 DIFWJJFSELKWGA-WVXJGUROSA-N 424.713 8.233 0 1 HKAF endogenous,in-man COC(=O)[C@@]1(c2ccccc2)C[C@H]1CN1[C@H]2C=C(c3ccc(Cl)cc3)C[C@H]1CC2 101415147 ZVHCIKGTRQHMOV-LVVCFHABSA-N 407.941 5.091 0 1 HKAF COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2ccccc2OC(C)C)C[C@@H]1C 101956660 SRHGMBJUUYCDFO-XFEAKLGESA-N 420.509 5.354 0 1 HKAF CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(Cl)cc1 103523542 CYOWLEIPGZJUCA-QHCPKHFHSA-N 422.956 6.789 0 1 HKAF CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 104004228 CKJBODZUSQSOBJ-OAQYLSRUSA-N 407.901 5.490 0 1 HKAF COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3ccc4nc(C)ccc4c32)c(OC)c1 104705893 QQVPFBOAUCLONN-DEOSSOPVSA-N 400.478 5.774 0 1 HKAF Cc1cccc2c1N(C(=O)CSc1ncc(C(F)(F)F)cc1Cl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c1cc(-c2nnc3n2CCC[C@@H]3c2ccc(Cl)cc2)ccc1-c1cnc(C)o1 473249620 WZNICBGNGBYHPE-GOSISDBHSA-N 420.900 5.496 0 1 HKAF FC(F)(F)Oc1cc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586884100 NXSUCNCWSFIMOH-IJZKUYQOSA-N 415.253 5.692 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@@H]4c1ccccc1Cl)-c1ccccc1C2=O 586993988 SWCVYMIYIPFLEF-HXUWFJFHSA-N 423.899 6.055 0 1 HKAF FC(F)(F)c1ncc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)nc-2[nH]1 587014289 OIKYILGQHJCMPW-UHFFFAOYSA-N 416.215 5.421 0 1 HKAF COc1cccc(-c2ccc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c(Cl)c2)c1 587052356 PFFHSEJQTKCIDJ-UHFFFAOYSA-N 418.802 6.458 0 1 HKAF O=C(c1ccccc1)c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587077547 WCKJAFCCAJSTJV-NRFANRHFSA-N 401.853 5.064 0 1 HKAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)n1 587081184 XACWOEZSTCBZPN-SSDOTTSWSA-N 410.749 6.088 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1sc3ccccc3c1CC4)-c1ccccc1C2=O 587101713 LQZHIROIHYWXAS-UHFFFAOYSA-N 403.506 6.735 0 1 HKAF Cc1c(Br)ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 587121604 HAEHPVWEBAGGDW-UHFFFAOYSA-N 411.181 5.076 0 1 HKAF FC(F)(F)Sc1ccc(/C=C\c2nc3cc(Br)ncc3[nH]2)cc1 587124645 KSWAZBJSDSJTMF-UTCJRWHESA-N 400.223 5.503 0 1 HKAF FC(F)(F)Oc1ccc2c(-c3nc4c(OCc5ccccc5)cccc4[nH]3)n[nH]c2c1 587127437 UWTINTLWNPOFMH-UHFFFAOYSA-N 424.382 5.584 0 1 HKAF Fc1ccc(F)c(SCc2cccc(-c3nc4cnc5ccccc5c4[nH]3)c2)c1 587140473 BFDQYGDQFLLLAL-UHFFFAOYSA-N 403.457 6.349 0 1 HKAF Cc1ccc2c(ccc3nc(-c4cccc(CSc5cc(F)ccc5F)c4)[nH]c32)n1 587141103 LKDHGRZNXPCONJ-UHFFFAOYSA-N 417.484 6.657 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(C)c(Cl)cc4[nH]3)cc2F)c1 587143536 HPTZFTBDVLTEQE-UHFFFAOYSA-N 410.832 5.705 0 1 HKAF CCc1nc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2o1 587348359 RKVATMZCDCLCJJ-RCZVLFRGSA-N 417.436 5.509 0 1 HKAF COc1cccc(-c2cc(-c3cc(OC)c(O)cc3F)nc3c2oc2ccccc23)c1 587361239 WPGUKEFJEWVZHO-UHFFFAOYSA-N 415.420 6.177 0 1 HKAF CCOC(=O)[C@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587362570 KDJAOTUPOUWZFH-INIZCTEOSA-N 401.462 5.325 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(c2ccc(Cl)cc2)=COc2cc(O)ccc21 587379600 JOJZORHZPOKITR-XMMPIXPASA-N 419.864 5.230 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Oc3cccc(C(F)(F)F)c3)c1)O2 587382030 MOJISLPLZVYAOR-NRFANRHFSA-N 413.395 6.095 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@@H](c3ccccc3)S[C@H](c3ccccc3)C1)O2 587415786 XIGDTUFMTYDVER-ZEQRLZLVSA-N 415.558 6.291 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1cccc(Cl)c1Cl)[C@@H](C2)C3=O 587422209 XKSGPFMVXZDIAA-ZSEKCTLFSA-N 400.261 5.281 0 1 HKAF COc1cc2c3c(c1)O[C@](C)([C@@H](C)Oc1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O 587441338 SHUMQTBZERHXNG-XRWSKCOISA-N 400.474 5.336 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)cc3cc[nH]c13)CC2=O 587458195 HLOAWMHFJGCHOG-NRFANRHFSA-N 414.299 5.469 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1Cc1cnc(Cl)s1)CC2=O 587497361 VTQVXFPZIIERPW-GOSISDBHSA-N 402.903 5.011 0 1 HKAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(F)(F)F)c1OC 587502607 AMUAAVWDGWTMNG-GOSISDBHSA-N 406.400 5.308 0 1 HKAF CC[C@]1(c2cc(Br)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587505211 LUAFOHUCNQMDQQ-OAQYLSRUSA-N 403.291 5.738 0 1 HKAF O=C1C[C@H](c2cccc(-c3ccccc3C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587507368 LUDAUJLNBLKOBF-XMMPIXPASA-N 422.446 6.958 0 1 HKAF O=C1C[C@@H](c2ccc(-c3ccc(C(F)(F)F)cn3)cc2)Oc2c1ccc1c2CCCC1 587507535 MVYPSUDBKVODIF-QHCPKHFHSA-N 423.434 6.353 0 1 HKAF CC(C)(C)OC(=O)Nc1ccccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587512694 OHYBELKZYVOYDV-RUZDIDTESA-N 407.510 5.793 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H](Cc1ccccc1)C2 587604932 VYANSHLVNQORDP-FPDDQMOCSA-N 400.474 5.526 0 1 HKAF Cc1ccc(-c2nc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cs2)cc1 587609400 BVQXAPMRQNGYKJ-NZQKXSOJSA-N 415.470 5.527 0 1 HKAF Cc1[nH]c2cc(Cl)c(F)cc2c1Oc1ccc2cc(Br)ccc2c1 587628918 UVVZELDNSDWSJX-UHFFFAOYSA-N 404.666 6.977 0 1 HKAF Cc1cc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c2ccc(Cl)cc2n1 587656944 MXIHOLGJSHCYLZ-UHFFFAOYSA-N 415.855 5.702 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2cc(Cl)ccc2Cl)N1 587691281 DRSMNNMHDJPVMW-YPMLDQLKSA-N 417.149 5.887 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(C)(C)C)(c2ccc(Cl)cc2)N1 587694940 AVSGTJUPNIKFBM-ZSEKCTLFSA-N 424.785 6.456 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccccc3Cl)no2)N1 587695351 JDXKTAUGTQICPE-APBUJDDRSA-N 421.697 5.520 0 1 HKAF CC(C)C[C@@]1(Cc2cccc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587695480 BIFCEOQCKBUOSR-QKKBWIMNSA-N 424.785 6.260 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(C(F)(F)Cl)N1 587704602 JUTFUYYXIKOMBA-DIFFPNOSSA-N 418.684 5.392 0 1 HKAF CC(C)c1nn(C(C)(C)C)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587763262 IPDFALJCGYQWOD-CWTRNNRKSA-N 408.359 5.287 0 1 HKAF Cc1ccc([C@@]2(c3cccnc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587771298 BUTSZSKPJYVHKO-QRQCRPRQSA-N 411.318 5.118 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(CN3CCCCC3)cs2)N1 587845822 GBONJPBGXBFLMF-XCLFUZPHSA-N 423.395 5.259 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(OC(C)C)cc1 587858977 RGEQQRCVAHMZCF-UHFFFAOYSA-N 419.308 5.731 0 1 HKAF COc1cccc(-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)c1 587923077 MIHABBPCSSNFRL-UHFFFAOYSA-N 400.478 6.773 0 1 HKAF O=C(O)c1cc(Br)cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 587956269 PWALQOJWOBPXLN-KRWDZBQOSA-N 421.294 5.398 0 1 HKAF Fc1ccc(OCc2ccc([C@H]3NCCc4cc(-c5ccccc5)ccc43)o2)c(F)c1 962668884 YKZBDTOYBHTELF-SANMLTNESA-N 417.455 6.039 0 1 HKAF O=C([C@@H]1Cc2ccccc2[C@@]2(C=C(Cl)C[C@@H](c3ccccc3)C2)N1)C(F)(F)F 962765745 NBMNREFKPJEDOR-LKUPVBHCSA-N 405.847 5.228 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(-c3ccccc3)n(-c3ccccc3)n2)N1 962950338 MNLAXGPSIOYVOX-MMTVBGGISA-N 418.544 6.034 0 1 HKAF CC[C@@]1(c2ccc3ccccc3c2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962966818 ANUDYRNCPWGLBO-GCJKJVERSA-N 401.840 5.024 0 1 HKAF COc1cccc2cc3c(nc12)[C@](CCc1ccccc1)(c1cc(C)ccc1C)NCC3 963059036 RZDGHQGXFYKRJR-LJAQVGFWSA-N 422.572 5.882 0 1 HKAF Cc1ccccc1-c1cc(-c2cc3ccccc3oc2=O)nc(Cc2ccc(F)cc2)n1 1857548077 UWKRUDKGIUMFMQ-UHFFFAOYSA-N 422.459 5.955 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O 2356480625 KDUZVQDAWGTXTF-UHFFFAOYSA-N 406.478 5.812 0 1 HKAF C=CC(C)=CC[C@@H]1C(C(=O)N[C@H](C)c2ccccc2)=CC[C@@H]2C(C)(C)CCC[C@]12C 2356498924 MSTFSWXMCDISCF-VGSCBBJJSA-N 405.626 7.165 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@H](O)C4(C)C)CC3=CC[C@]12C 2356666346 KYXAMSIYYVIHGX-KHLKUSIASA-N 424.713 8.255 0 1 HKAF COc1ccc(Nc2ncc(C(=O)Nc3cnc4ccccc4c3)c3ccccc23)cc1 4734188 VIOZNVHDRJSBKN-UHFFFAOYSA-N 420.472 5.788 0 1 HKAF CC(C)Nc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 13729755 MFBASASUQBXISA-UHFFFAOYSA-N 418.537 6.260 0 1 HKAF CC(C)=CC[C@@H]1Cc2c(cc3c(c2O)C(=O)C[C@@H](c2c(O)cccc2O)O3)OC1(C)C 14829218 MSWKDNVOKYRGEP-VLIAUNLRSA-N 424.493 5.196 0 1 HKAF biogenic CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 27520159 UKRMXWMCDFUMQY-MVYNGAOPSA-N 412.702 8.233 0 1 HKAF CC[C@@H](c1ccccc1)c1c(O)c2c(oc1=O)[C@@H](Cc1ccccc1)CCCCCC2 27520585 QEYQUQCTTUQQLK-PKTZIBPZSA-N 416.561 6.720 0 1 HKAF Cc1cc(CCCCCOc2c(Cl)cc(-c3ccc(C)s3)cc2Cl)on1 27524204 KYGNSJZUIMNDMU-UHFFFAOYSA-N 410.366 7.119 0 1 HKAF Cc1cc2c(cc1-c1cc(/C=C/C(=O)O)ccc1OC(F)(F)F)NC(=O)CC2(C)C 28952491 HJBICMLZCMFRAD-FNORWQNLSA-N 419.399 5.278 0 1 HKAF O=C(CCCCC=C(c1ccccc1)c1ccccc1)NCCCCc1cccnc1 29486013 HANZFNFKVQKQAM-UHFFFAOYSA-N 412.577 6.213 0 1 HKAF CCCOc1cccc(-c2ccc3c4c([nH]c3c2)-c2cc(O)c(C(=O)O)cc2CC4)c1 34894060 DBNZSOVQWQLTIB-UHFFFAOYSA-N 413.473 5.793 0 1 HKAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ccc(C)cc2[nH]1)C(F)(F)F 38389262 JZFUUMIFIPVITG-QFIPXVFZSA-N 423.450 5.828 0 1 HKAF CCCN1N=C2/C(=C/c3ccc(Cl)cc3)CSC[C@H]2[C@H]1c1ccc(Cl)cc1 40670449 AMICBVLQRJCZEG-LOEGHEPLSA-N 417.405 6.563 0 1 HKAF COc1ccc(Cl)cc1Nc1cc(C(F)(F)F)c(C(=O)NCC2CCC2)cn1 40878453 MMKZUMQWHYJFRZ-UHFFFAOYSA-N 413.827 5.036 0 1 HKAF Cc1cc(O)c(C23CC4CC(CC(C4)C2)C3)cc1-c1ccc(CC(=O)O)cc1Cl 43018771 JMVVJFXQWXMPFB-UHFFFAOYSA-N 410.941 6.116 0 1 HKAF O=C(CCCCN1CCCCC1)Nc1ccc(-c2ccc(Br)cc2)cc1 45258927 HKUIEWKXWIYDEY-UHFFFAOYSA-N 415.375 5.711 0 1 HKAF O=c1oc2c(Cl)cc(Cl)cc2c(=S)n1Cc1ccc(Cl)c(Cl)c1 53276482 QDMNMXPFJYLCGQ-UHFFFAOYSA-N 407.105 5.986 0 1 HKAF Clc1ccc2c(Nc3ccc4nc(NCCN5CCCCC5)[nH]c4c3)ccnc2c1 84672137 HYSNZJYAEASGGR-UHFFFAOYSA-N 420.948 5.406 0 1 HKAF CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(Nc3cccnc3)cc2)cc1 84738789 DTXKDDZNQXSJDU-UHFFFAOYSA-N 404.539 5.250 0 1 HKAF Cc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@@H]32)cc1 95561062 OHYAUCCFBSIOPM-XQFUHLNNSA-N 417.577 7.725 0 1 HKAF CCOc1ccccc1N1[C@@H](c2ccccc2)[C@]12C(c1ccccc1)=Nc1ccccc12 103276176 XTIDSQHPZXFIHY-MYABOAQRSA-N 416.524 6.677 0 1 HKAF CC(C)Oc1ccccc1[C@@H]1Nc2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C21 103935483 HPXXFDKPOXTJKY-NGOKVRLYSA-N 424.544 7.103 0 1 HKAF CCCCNC(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 105173058 HAQWXGIWOXBEKK-UDDWMFPDSA-N 420.601 5.465 0 1 HKAF COc1ccc2nc(COc3ccc(-c4nn(C)cc4-c4ccncc4)cc3)ccc2c1 150268801 BXQCPJKMAVAOIN-UHFFFAOYSA-N 422.488 5.285 0 1 HKAF C[C@H]1CCC[C@H](C)N1CCCCCN1C(=O)[C@H](c2ccccc2)Oc2ccccc21 169318441 BWAAOARPNKBGHD-WATLYSKOSA-N 406.570 5.587 0 1 HKAF CC(C)Cc1cc2c(NC(=O)N[C@@H]3CC[C@H](c4ccccc4)C3)c(F)ccc2cn1 169704991 ASPDTLYCFOPVFV-AZUAARDMSA-N 405.517 6.030 0 1 HKAF N#Cc1ccccc1Cc1cccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1 205323948 HBNBPWFISBACEY-UHFFFAOYSA-N 413.908 5.256 0 1 HKAF O=C(NCc1ccccc1C(F)(F)F)c1ccccc1NC(=O)C1CCCCC1 224942426 PLXJCRUBWQVHBO-UHFFFAOYSA-N 404.432 5.154 0 1 HKAF C[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(-c2ccoc2)cc1F 253961199 MSAYVNPLYDDUJO-XTUVKROYSA-N 401.481 5.998 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)[C@H](C)[C@H]1CC3 255264187 SCEZIHJVTBQOLS-WAQWQJAFSA-N 400.691 7.779 0 1 HKAF CC[C@H](CC[C@@H](C)C1=CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 255286509 YZASEYYDJZZZHQ-XXEZFEIISA-N 412.702 7.945 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@]2(C)[C@@H]3CC[C@H](C(C)C)[C@]3(C)CC[C@@]12C 257462409 KETZXRQFCKBMKO-AAXHLMGHSA-N 410.730 9.054 0 1 HKAF OC(c1ccccc1)(c1ccccc1)C1CCN(Cc2ccc(-c3ccco3)cc2)CC1 299818743 AGDHILUENWMJFY-UHFFFAOYSA-N 423.556 6.095 0 1 HKAF COc1ccc(C(=O)Nc2ccc(-c3ccc(OC4CCN(C)CC4)cc3)cc2)cc1 299821127 JYOAXDIBOCHLLQ-UHFFFAOYSA-N 416.521 5.088 0 1 HKAF COc1cc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cc1OC 586981906 GBMSOISMHCCRGX-HNNXBMFYSA-N 417.347 5.715 0 1 HKAF Clc1c(Br)cnc2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c12 587032287 HFFNLVIUOIVRFJ-UHFFFAOYSA-N 419.735 5.382 0 1 HKAF C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccnc(O)c2[nH]1 587057502 XXTJWJAZFDDPNE-NSHDSACASA-N 416.264 5.903 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@@H](N)Cc4ccccc4Cl)[nH]c3c2)cc1 587059781 WIKLESIRUKIECL-IBGZPJMESA-N 421.884 5.038 0 1 HKAF Cc1[nH]c2ccccc2c(=N)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097410 HBPVKJOSSLBURT-UHFFFAOYSA-N 401.469 5.691 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1cn(-c3ccccc3)nc1CC4)-c1ccccc1C2=O 587098946 XFTNFCCQHOZNOJ-UHFFFAOYSA-N 413.480 5.706 0 1 HKAF COC(=O)c1cc2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc2cc1OC 587127862 BAPFKGBMDVSITN-UHFFFAOYSA-N 415.421 5.086 0 1 HKAF Fc1cnc(Br)c2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc12 587195723 JBDJFTTYJARAST-UHFFFAOYSA-N 411.278 5.066 0 1 HKAF CNc1cccc(-c2cccc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c2)c1 587235690 QAQDACOIEYYBKE-UHFFFAOYSA-N 412.718 6.355 0 1 HKAF Oc1ccc(Nc2cccc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2)cc1 587241767 AMGKVWVXBLXNSX-UHFFFAOYSA-N 405.767 5.093 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)cccc1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587419953 FYXNMBYBDSJZOE-RNODOKPDSA-N 415.873 5.184 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(Cc3ccccc3Cl)c1C)CC2=O 587462191 NJTGVQSISRJNMQ-JOCHJYFZSA-N 424.928 5.566 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)CCN3Cc1ccccc1)CC2=O 587475967 RPFGMKOMVWNTRK-SANMLTNESA-N 413.517 5.614 0 1 HKAF O=C1C[C@H](c2cn(-c3cccc(Cl)c3Cl)nn2)Oc2c1ccc1c2CCCC1 587509744 WWVFAHWQKBYKMY-LJQANCHMSA-N 414.292 5.159 0 1 HKAF O=C1C[C@](c2ncc(-c3ccco3)[nH]2)(c2ccco2)Oc2c1ccc1c2CCCC1 587522917 FNONUQAKDYBANF-XMMPIXPASA-N 400.434 5.051 0 1 HKAF O=C(CC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 587523222 KGHQTPKHSZHHQJ-MUUNZHRXSA-N 410.513 6.089 0 1 HKAF CCOC(=O)[C@@H](Cc1ccc(C)cc1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526599 UPWFXOMYLNRFQK-ATIYNZHBSA-N 406.522 5.020 0 1 HKAF O=C(O)Cc1cccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587530967 XICUREBGSLFTFN-MHZLTWQESA-N 412.485 5.102 0 1 HKAF Cc1[nH]c(-c2ccco2)nc(=S)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587534299 YJHQPZYSOLBJTM-HSZRJFAPSA-N 406.507 5.467 0 1 HKAF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]c2ccc(Cl)cc12 587550497 BKXISJUQEIFBNI-WMZHIEFXSA-N 405.837 5.538 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCNc1ccc(Cl)cc12 587551643 HZJUCXMGDWRVEP-OFNKIYASSA-N 407.853 5.108 0 1 HKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccco1 587579153 SSKZJESOXMCNTA-DHLKQENFSA-N 415.445 5.155 0 1 HKAF COc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 587601042 QBPUHTGMIMCOGQ-IGKIAQTJSA-N 424.452 5.771 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2F)(C2CCCC2)N1 587726965 MZWZYOJTNULMLX-ASSNKEHSSA-N 406.314 5.695 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2OCC2CC2)N1 587730124 IQBUYBLZRFJQOO-YBTHPKLGSA-N 408.286 5.140 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cccs2)(c2cccs2)N1 587852481 LLBSKWPUVNDYSQ-BUXKBTBVSA-N 422.388 5.732 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCSc3ccc(Cl)cc32)N1 587858672 SVANQUFCZHRXRA-MGNBDDOMSA-N 412.755 5.515 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccc(-c2cccnc2)n1 587860090 MDTQKGXRVZTCNN-UHFFFAOYSA-N 412.280 5.097 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccnc(O)c2[nH]1 587961180 RXELFLQOJOEKKH-UUQHCRCUSA-N 419.613 7.518 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cncc(C)c2[nH]1 587961586 UTGOSVVVLBCBBO-WGIJKTCHSA-N 417.641 8.121 0 1 HKAF Cc1nc(N[C@H](C)c2cccc(-c3ccoc3)c2)cc(-c2ccc3occ(C)c3c2)n1 653663083 ZSMXKGYXVUCSNI-QGZVFWFLSA-N 409.489 6.940 0 1 HKAF CCOC(=O)c1c(CSc2cc(C)cc(C)c2)[nH]c2c1cc(O)c1ccccc12 653706025 PRZOZAWXYPBZBH-UHFFFAOYSA-N 405.519 6.113 0 1 HKAF C[C@H](c1ccccc1)c1ccc2c(n1)Nc1ccc(-n3cnc(Cl)c3)cc1NC2=O 653709007 HSPGPMSOFQXJKN-CQSZACIVSA-N 415.884 5.382 0 1 HKAF CCc1nn2c(-c3ccc(C)cc3)c(-c3cc(OC)c(OC)c(OC)c3)nc2s1 653779480 VRAJAMOJBKFNRF-UHFFFAOYSA-N 409.511 5.021 0 1 HKAF Cc1ccc(C(=O)C[C@H]2C(=O)CC(C)(C)C[C@]23NCCc2cc(C)c(F)cc23)cc1 962090351 IKSXOJPPYMFBFV-HFZDXXHNSA-N 407.529 5.062 0 1 HKAF COc1ccc(Oc2ccccc2[C@H]2NCCc3cc(-c4ccccc4)ccc32)cc1 962671212 SYCZSPQWAXTYJW-NDEPHWFRSA-N 407.513 6.390 0 1 HKAF Cc1ccccc1COc1c(C)cc([C@H]2c3ccc(F)cc3C[C@H]3CCCN23)cc1C 963100600 KFWYUSKXTBSUOE-VPUSJEBWSA-N 415.552 6.440 0 1 HKAF CCCN1[C@H](c2cc(C(F)(F)F)ncc2Br)c2ccccc2C[C@H]1C 963235333 VWZNAUGQBFRYOW-XIKOKIGWSA-N 413.281 5.609 0 1 HKAF Oc1ccc2c(c1)[C@@H](c1csc(-c3ccc(OCc4ccccc4)cc3)n1)NCC2 963341095 KDCYPLRZSHEJLA-DEOSSOPVSA-N 414.530 5.330 0 1 HKAF O=C(Nc1nccn2cc(-c3ccccc3)nc12)C(c1ccccc1)c1ccccc1 1772652363 LAZAYQNLIBNORP-UHFFFAOYSA-N 404.473 5.167 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356322634 UJDBZVSBLYRMDU-ZULOXAEKSA-N 418.706 6.830 0 1 HKAF C[C@H]1CO[C@@]2(C[C@@H]3[C@@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)O2)[C@H](C)C1 2356540246 REGABMXOVFDEIY-OJICQUHOSA-N 416.646 5.794 0 1 HKAF CC1=CC[C@@H]2[C@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@@H]1CC[C@H](C)CC(=O)O 2356693213 BSSGYOHVEPJDRQ-YLIQGSGUSA-N 422.562 5.064 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)Cc1cc(O)c(-c2cccnc2O)cc1O 2356791218 GMNLYZMBIUXKNI-NLHSHUSYSA-N 407.554 6.207 0 1 HKAF CC(C)C[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(Cl)ccc1c2=O 61921320 OAZWHDQIXVEXEB-FQEVSTJZSA-N 417.896 5.023 0 3 HKAF CCCC(CCC)N1C[C@H]2CCN(c3ccc(Cl)cc3Cl)c3nc(C)nc1c32 1553729 VJJBGPHBOZISOV-OAHLLOKOSA-N 419.400 6.506 0 1 HKAF CN1[C@@H]2C=C(N(CCc3c[nH]c4ccccc34)C(=O)c3ccc(Cl)cc3)C[C@H]1CC2 5577338 HQHQMLBBPGIHNK-LEWJYISDSA-N 419.956 5.257 0 1 HKAF Clc1ccc(-c2c[nH]cc2[C@@H](c2ccc(Cl)c(Cl)c2)n2ccnc2)cc1 5974187 OWIBGQINWFGTJY-HXUWFJFHSA-N 402.712 6.476 0 1 HKAF COc1cc(O)c(C(=O)CCc2ccccc2)c2c1C[C@]1(C=C[C@@H](C(C)C)CC1)O2 13308448 NVHLTNASIPVGQS-NIYFSFCBSA-N 406.522 5.512 0 1 HKAF biogenic COc1c2c(c(CC=C(C)C)c3oc(=O)cc(-c4ccccc4)c13)O[C@@H](C)[C@@H](C)C2=O 13382522 CHVBVEFGTFMKNL-CVEARBPZSA-N 418.489 5.577 0 1 HKAF biogenic Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2COC(c2ccccc2)c2ccccc2)N3C)cc1 13559881 PZCLLOMRKKUTII-ZVBOOHQUSA-N 411.589 6.368 0 1 HKAF CC(C)c1cccc(C(C)C)c1OC(=O)NC(=O)N(c1ccccc1)c1ccccc1 13738016 QQXDWDLUEXTLDE-UHFFFAOYSA-N 416.521 6.980 0 1 HKAF c1cn(-c2ccc(-c3[nH]c(-c4ccc(-n5ccnc5)cc4)c4c3CCCC4)cc2)cn1 13835373 SCHHOPOWJPNXIN-UHFFFAOYSA-N 405.505 5.599 0 1 HKAF CCC(=O)N(c1ccccc1)[C@@H]1CCN2C[C@H](c3ccccc3)c3ccccc3[C@@H]2[C@@H]1C 27990232 BFZJMMUILZGQKI-LXJBFUPPSA-N 424.588 6.027 0 1 HKAF O=C(O)c1cccc(-n2nccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 40763442 KIZBMLVZMYKLEU-UHFFFAOYSA-N 404.853 5.470 0 1 HKAF CCCCCC(C)(C)c1cc(Br)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 64448568 LAELRIFSGPBQSO-RTBURBONSA-N 419.447 7.918 0 1 HKAF COc1cc2c3c(c1OCC1CCCCC1)-c1cc4c(cc1C[C@H]3N(C)CC2)OCO4 72119674 RTPCUKYQCUOFSL-HXUWFJFHSA-N 421.537 5.135 0 1 HKAF CC1=Nc2ccc(Cl)cc2[C@H](c2ccccc2)N1CCNC(=O)Cc1ccccc1 72124921 DRAZUEOWMJIATC-VWLOTQADSA-N 417.940 5.154 0 1 HKAF FC(F)(F)c1ccc(Oc2nc(C(Cl)(Cl)Cl)nc3ccccc23)cc1 72179279 OPAQOIVLMCMIGB-UHFFFAOYSA-N 407.606 6.268 0 1 HKAF Fc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc3[nH]c4ccccc4c23)cc1 95576272 XFWCBRBLQAFBNF-UHFFFAOYSA-N 404.448 6.579 0 1 HKAF Fc1cccc(F)c1[C@H]1CC(c2ccccc2)=NN1C1=N[C@@H](c2ccccc2)S1 98083944 KACHUZFVJUVDJM-IFMALSPDSA-N 405.473 5.918 0 1 HKAF Cc1ccc2nc(-c3ccc(/N=c4/oc5ccccc5cc4C(N)=O)cc3)sc2c1 100704091 KAXTUTWOEMUPIL-WNAAXNPUSA-N 411.486 5.349 0 1 HKAF Cc1ccc(Cc2cc([C@H]3[C@@H](c4ccc(Cl)cc4)C[C@@H]4CC[C@@H]3N4C)on2)cc1 101166498 CPJBQIFONUXPDL-AANQFLQQSA-N 406.957 5.961 0 1 HKAF O=C(NCc1ccccc1)Nc1cc2nc(C3CCCCC3)[nH]c2cc1N1CCCC1 103255885 KJPYYICHEBJETB-UHFFFAOYSA-N 417.557 5.533 0 1 HKAF Brc1ccc2[nH]c(/C=C/c3cc4ccc(Br)cc4[nH]3)cc2c1 103259906 STPJARXZQSXEAU-SNAWJCMRSA-N 416.116 6.345 0 1 HKAF CC(C)NC(=S)N(C)CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 103275640 SPCTVJCZAIVWJA-LJQANCHMSA-N 410.505 5.430 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2cccnc2)C[C@@H](c2ccccc2Cl)C1 103914622 GUZNUZAYWDTNKS-VOIUYBSRSA-N 401.897 6.364 0 1 HKAF Cc1cccc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2ncc(C)o2)c1 105196625 YFKVLKKIHUQDQW-BVPXEZJJSA-N 402.542 5.898 0 1 HKAF CCOC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 168319679 JQPLJJDYLFEADK-UHFFFAOYSA-N 411.505 5.183 0 1 HKAF CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCN(C(=O)CO)C=C21 169317199 AHGMWEWSNMOGNW-FUHIMQAGSA-N 415.574 5.065 0 1 HKAF CCN(CC)c1ccc(C(=O)NCCn2c(C)cc3ccccc32)cc1C(F)(F)F 169351833 UQPDIRSIAOGZTB-UHFFFAOYSA-N 417.475 5.245 0 1 HKAF Oc1ccc(CN[C@H]2CC[C@@H](C(c3ccc(F)cc3)c3ccc(F)cc3)OC2)cc1 206401371 UDLPJHJXNMHWEW-UPVQGACJSA-N 409.476 5.140 0 1 HKAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@@]43C)[C@H]1CC[C@@H]2O 253862624 GIQHGRUKLUVHHK-KQLUAZMLSA-N 415.581 5.201 0 1 HKAF CC[C@@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 299871916 ZLMBOBBDZNNAHD-CBTSXZFNSA-N 412.577 5.864 0 1 HKAF CC[C@H](C)NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 299887980 ZSCPAAWATBNPFJ-KYUOHKCGSA-N 420.601 5.463 0 1 HKAF CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@H](C)CC(C)(C)[C@@H]5CC[C@]43C)[C@@]2(C)CC1 535386068 ONQNHFFIXHEQPK-PGVSLFDPSA-N 424.757 9.444 0 1 HKAF in-vitro COc1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Cl 586986003 UADQKWYQYBEFPS-SFHVURJKSA-N 420.738 5.173 0 1 HKAF Cc1ccc(C)c(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)c1 586989960 GZFDQULYKSEJIR-UHFFFAOYSA-N 409.441 5.063 0 1 HKAF Fc1cc2[nH]c(-c3nc(Br)sc3C3CC3)nc2cc1C(F)(F)F 587013522 ZRFKNZGOPAVEEL-UHFFFAOYSA-N 406.202 5.484 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2)n1 587020290 LUUYWUJQZMVAMP-UHFFFAOYSA-N 406.363 6.594 0 1 HKAF COC(=O)c1cccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587110791 KJWMBSCGCBTTGN-UHFFFAOYSA-N 416.321 5.172 0 1 HKAF CC(C)CCOc1cc2nc(-c3ccc4ccccc4c3N)[nH]c2cc1Br 587254912 YNKUWGLRHKWBDX-UHFFFAOYSA-N 424.342 6.153 0 1 HKAF O=C1c2ccc(O)cc2O[C@](CC2CCCC2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 587350996 FTLKIKNULRLYHK-XNMGPUDCSA-N 416.492 6.366 0 1 HKAF CC(C)[C@@H]1CCc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587353134 NYJVSFNWTDQWKX-RWUBSVTLSA-N 416.492 6.004 0 1 HKAF COc1cccc(-c2cc(-c3c(Cl)cccc3OC)nc3c2oc2ccccc23)c1 587357703 KJWKTQBGOFZLSI-UHFFFAOYSA-N 415.876 6.986 0 1 HKAF COc1cccc(-c2cc(-c3ccc4cn(C)nc4c3)nc3c2oc2ccccc23)c1 587363908 QQBUGBHGVCDVET-UHFFFAOYSA-N 405.457 6.210 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(C)(C)[C@@H](C(=O)O)C3)c1 587365036 CRSVEOTUOBPWLE-GOSISDBHSA-N 401.462 5.482 0 1 HKAF CCOc1ccc([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(OCC)c1 587397919 CBPULLKMEZCNRJ-AREMUKBSSA-N 417.505 5.284 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(C)n(CCc4ccc(Cl)cc4)c1C)[C@@H](C2)C3=O 587423047 SWBRSFMXSFEGRF-SQJMNOBHSA-N 421.924 5.498 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCN3CCCC[C@@H]3C)cc1)CC2=O 587482380 ZULKHVFRUQNBAO-BVZFJXPGSA-N 423.553 5.304 0 1 HKAF COc1ccc(Cl)cc1-n1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587499500 JTYCVKPOHCQQLW-QHCPKHFHSA-N 407.897 5.725 0 1 HKAF CCC[C@]1(c2ccc(Br)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587501415 BORKWRIDBKTLEJ-JOCHJYFZSA-N 417.318 6.128 0 1 HKAF CCCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587506468 YMAQHTCQLPZCMM-NRFANRHFSA-N 415.327 5.823 0 1 HKAF COC(=O)c1ccc(-c2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 587526963 TUYRSICUBVJHBR-RUZDIDTESA-N 412.485 5.726 0 1 HKAF C[C@]1(c2c(F)cccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551203 YICJZEVIWCVGSP-WIYYLYMNSA-N 418.342 5.427 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1COc1ccccc1 587595315 RFBTUAWDQCXZNU-SHQCIBLASA-N 424.452 5.674 0 1 HKAF CCc1cccc(CC)c1NC(=O)c1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 587631870 YCDHBDXEWUYHJZ-UHFFFAOYSA-N 420.915 7.005 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ccc(Cl)c2Cl)N1 587696005 OULSMPRASWSLNF-HYORBCNSSA-N 423.540 6.172 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CF)(c2ccc(C(F)(F)F)cc2)N1 587712942 MEJLWDWEEOECAZ-BTDLBPIBSA-N 420.219 5.354 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SC(F)F)cc2)N1 587713490 DGIOOCUWGGMNSJ-ABKXIKBNSA-N 402.279 5.527 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)(F)F)cc2Cl)N1 587715187 WXBBLSKXJANWGB-VPTHRUTESA-N 422.647 5.884 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=Cc3ccc(N)c4cccc2c34)N1 587744971 IPWSVRJUURASTE-AMXDTQDGSA-N 409.302 5.128 0 1 HKAF Cc1ccc(C)c(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587753838 JXZITUVDEYOYHZ-NYHFZMIOSA-N 413.334 5.619 0 1 HKAF Cc1ccc(-n2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1C 587756688 DXTUDMGJWBCWES-LHSJRXKWSA-N 414.322 5.014 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(COC/C=C\c4ccccc4)[nH]c3c2)cc1 587780754 HKCFYMCKOWFDSG-YVMONPNESA-N 414.461 5.372 0 1 HKAF CCOc1ccc(C(C)C)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587801343 KKWXDQWWQBMHTG-YEJXKQKISA-N 406.339 5.734 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 587831085 VWEDMHBRFRBFOF-GTJPDFRWSA-N 400.291 5.780 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1cccc(C(F)(F)F)c1 587853769 BGTFMCQAOOHMOY-UHFFFAOYSA-N 415.242 6.323 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1ccccc1C(F)(F)F 587865114 QXNNIOXNIUACIP-UHFFFAOYSA-N 414.349 6.035 0 1 HKAF Cc1ccc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c2c1 587957092 GEZWROIEZWKSHI-UHFFFAOYSA-N 412.706 9.311 0 1 HKAF Cc1c(F)ccc2c1[C@H](c1c(-c3ccccc3)nc3sc4ccccc4n13)NCC2 962095095 UZWRLERGQMZSSN-HSZRJFAPSA-N 413.521 5.899 0 1 HKAF Cc1ccc(CC[C@]2(C3CC3)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cc1 962644853 XNGGGCHFKANRQW-DGPALRBDSA-N 422.616 5.980 0 1 HKAF COc1cc(Br)cc(OC)c1[C@H]1NCCc2c(Cl)cc(Cl)cc21 963103783 GPEJYACQKZJLRI-KRWDZBQOSA-N 417.130 5.008 0 1 HKAF CCC[C@]1(c2ccsc2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963181690 RASQBTZGYOZESG-DOTOQJQBSA-N 403.853 5.063 0 1 HKAF Cc1cc([C@H]2c3cccc(Br)c3CCN2C)cnc1OCc1ccccc1 963269029 DJTNLIPBRQNRFQ-QFIPXVFZSA-N 423.354 5.309 0 1 HKAF C[C@]12CC[C@@H]3[C@H]4CC[C@@](C)(O)C[C@H]4CC[C@H]3[C@@H]1CC[C@@H]2C(=O)Cn1cc(Cl)cn1 1772619732 YRMYVTSTOWPARF-UZNJFETESA-N 419.009 5.125 0 1 HKAF C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc(C)c(F)cc4OC)c3c2)c1 1772633777 ZNSLGAKNFMLWFV-UHFFFAOYSA-N 401.441 5.478 0 1 HKAF COc1cccc([C@H]2c3ccc4cccnc4c3Oc3nc4c(c(N)c32)CCCC4)c1 1772647577 VQICOKOVXNVBBA-NRFANRHFSA-N 409.489 5.385 0 1 HKAF Oc1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)nc3c2Cc2cc(O)ccc2-3)cc1 1857535879 OANVSNDAYALENJ-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF Cc1cc([C@H]2Nc3ccccc3C(=O)N2C)cc2cc(-c3cccs3)c(=O)oc12 1857747094 RPVJSBOBODJWGA-NRFANRHFSA-N 402.475 5.026 0 1 HKAF S=C(Nc1cccc(Cl)c1)Nc1ncccc1OCc1cccc(Cl)c1 1857750066 ZDOLZZQJBHKYSL-UHFFFAOYSA-N 404.322 5.776 0 1 HKAF C[C@@H]1[C@H](O)CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]21C 2356524755 NCQKCGSHPYPBLF-LYPCABLUSA-N 414.718 7.859 0 1 HKAF COc1oc(CC=C(C)CCCCCCCCCSC(C)=O)c(C)c(=O)c1OC 2356675968 JETGOHMWHVGCPY-UHFFFAOYSA-N 424.603 5.855 0 1 HKAF Cc1cc(O)cc2c1C[C@]1(O2)[C@H](C)CC[C@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]12C 2356799826 UWYFEQBOCMFYPZ-HWINUYJRSA-N 412.614 6.024 0 1 HKAF COc1ccc2c(c1)[C@H](n1c(C)ccc1C)C(=O)N2Cc1ccc(C(F)(F)F)cc1 206028489 DXSHRVVLCINZSM-NRFANRHFSA-N 414.427 5.269 0 3 HKAF CCC[C@H](C)n1c(CC)nc2c(-c3ccc(OC(F)(F)F)cc3Cl)nccc21 1912809 HHZUBQOBTSGLCZ-LBPRGKRZSA-N 411.855 6.574 0 1 HKAF COc1cc(OC)c2c(c1)[C@@H](CCCCCCCCCCCC[C@H](C)O)OC2=O 9083881 URHQQJQMONPELH-GHTZIAJQSA-N 406.563 5.977 0 1 HKAF biogenic Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(F)(F)F)c2)c1F 13474028 SUJUCOWQSJUBAX-UHFFFAOYSA-N 423.341 5.556 0 1 HKAF CCN(CC)CCCOc1ccc(-c2ccc(C(=O)N3[C@@H](C)CC[C@@H]3C)cc2)cc1 28760429 FLYWWCRTJJKAIV-SFTDATJTSA-N 408.586 5.477 0 1 HKAF O=c1ccc2c(-c3ccccc3Cl)cc(O)cc2n1-c1c(Cl)cccc1Cl 29125664 STDZLCLOZACHQZ-UHFFFAOYSA-N 416.691 6.324 0 1 HKAF O=C(S[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccccc1Cl 39233080 XOXXLPSMUYGTLG-KRWDZBQOSA-N 411.741 6.158 0 1 HKAF CCC(=O)C(Cc1ccc(/C=C/c2ccc(OC)cc2Cl)cc1Cl)C(=O)CC 39233473 MBAXXVKIUKJDDC-SOFGYWHQSA-N 419.348 6.289 0 1 HKAF CC(C)(C)c1ccc(COc2ccc3c(c2)[C@@]2(C)CCC[C@](C)(C(=O)O)[C@@H]2CC3)cc1 40918467 SGKGBKNFBOZHFE-RTVRTQBESA-N 420.593 6.658 0 1 HKAF CN(C)CCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 45298345 JWBAQPOCVFZNLH-DEOSSOPVSA-N 406.957 5.820 0 1 HKAF CCCCCc1cc(CNS(C)(=O)=O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 45372512 PFKMLTYUUQSKMF-WOJBJXKFSA-N 405.604 5.079 0 1 HKAF Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCCC[C@@H]3CC(=O)O)c1 59570218 AJDAZNXXSMAOOJ-HSZRJFAPSA-N 414.545 6.834 0 1 HKAF CCN(CC)Cc1csc(-c2cn(CC3CCOCC3)c3c(F)cccc23)n1 71318139 BOSWFILKYDOCBO-UHFFFAOYSA-N 401.551 5.172 0 1 HKAF Cc1cccc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 82146444 UZBMCLMUUNXXMX-PLACYPQZSA-N 420.601 5.052 0 1 HKAF CC(C)Nc1cc(N(Cc2ccc(F)cc2)C(=O)c2ccc3ccccc3c2)ccn1 84466482 NZZQNRHEAKLOJO-UHFFFAOYSA-N 413.496 6.041 0 1 HKAF CC[C@@](C)(C/C=C1/C[C@@](CO)(COC(=O)C[C@@](C)(CC)C(C)C)OC1=O)C(C)C 87723361 CPXHOALOZNWMML-HLXKLPNKSA-N 410.595 5.059 0 1 HKAF CCN(CC)C(=O)[C@@H](Oc1ccc(Cl)cc1-n1cccc1)c1ccc(OC)cc1 96168034 DGJOMAQBWUYHDA-QFIPXVFZSA-N 412.917 5.128 0 1 HKAF COc1ccc(-c2noc([C@@H]3[C@@H](c4ccc(Cl)cc4)C[C@H]4CC[C@H]3N4C)n2)cc1 100751720 UHKLODIEZLNQLP-CWJKEVGVSA-N 409.917 5.133 0 1 HKAF O=C(Nc1ccc(Cl)cc1)C1=C([S@@](=O)Cc2ccc(Cl)cc2)CCCC1 103192654 HHMWBEITGMYPCU-AREMUKBSSA-N 408.350 5.709 0 1 HKAF CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2ccc(C)cc2)C2=C(O)CC(C)(C)CC2=N1 104004091 KYBAWLAKGKINFC-HSZRJFAPSA-N 415.537 5.781 0 1 HKAF COc1cccc(-c2c(S(=O)(=O)c3ccc(C)c(C)c3)cnc3cc(F)ccc23)c1 115925242 GTVNAOJPNLHTCR-UHFFFAOYSA-N 421.493 5.499 0 1 HKAF CSc1nc(-c2ccnc(NC(=O)Cc3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1 140871045 QNXIFDWXLQZFEC-UHFFFAOYSA-N 418.497 5.181 0 1 HKAF O[C@@H](CC[C@H]1CCCCN1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 169334008 HQYLIBYURVWNMB-ABAIWWIYSA-N 406.370 5.228 0 1 HKAF CCN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2)c2cc(Cl)ccc2n1 169347395 ONGUMSLBIIPSOC-UHFFFAOYSA-N 401.897 5.613 0 1 HKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC/C=C\CCCC(=O)O 169636560 SSWITERJJRLGBX-LBBLQERRSA-N 422.738 9.433 0 1 HKAF Fc1ccc([C@@H]2C[C@@H]3CC[C@@H]([C@H]2c2ccc(F)cc2)N3CCc2ccccc2)cc1 169716228 TULWTCRECLIYGX-FWEHEUNISA-N 403.516 6.312 0 1 HKAF CCCN[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 198836812 FPUQUULAJDMSMB-NRFANRHFSA-N 402.498 5.049 0 1 HKAF O=C(Oc1ccc(Cl)cc1C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 222248320 DQHMUVAFTDLHIY-UHFFFAOYSA-N 419.786 5.830 0 1 HKAF C[C@@H]1[C@@H](c2ccc(O)cc2)O[C@@H](c2ccc(O)c([C@H](C)Cc3ccc(O)cc3)c2)[C@@H]1C 238789068 TWPBAUQJGYNNLT-OCISZPANSA-N 418.533 6.234 0 1 HKAF COC(=O)[C@@H]1[C@H](c2ccc(F)cc2)C[C@H]2CC[C@H]1N2CCCCCc1ccccc1 253633001 FZUMFPXNHOWEJA-ZFFYZDHPSA-N 409.545 5.348 0 1 HKAF C/C(=C/C[C@@H](C)C(C)C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C 255199992 BJJMHFSVVTWJFH-XUSXSOODSA-N 414.674 6.526 0 1 HKAF Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc(-c2ccccc2)n1Cc1ccc(Cl)cc1 261161896 RAHLSSRKGVUWGG-PTLVVNQVSA-N 418.968 6.084 0 1 HKAF Cc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2F)o1 299880810 MWVZFHQXDFQCKW-OHRYMORCSA-N 406.505 5.729 0 1 HKAF O=[S@@](Cc1nc2c(Cl)cnc(Cl)c2[nH]1)C(c1ccccc1)c1ccccc1 586960840 PZRIKHAMTGHSAA-MHZLTWQESA-N 416.333 5.303 0 1 HKAF Cc1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Cl 587000385 MYMQLPWOCXLWST-NSCUHMNNSA-N 405.679 5.229 0 1 HKAF O=C1C[C@H](Cc2nc3cc4ccccc4cc3[nH]2)c2c(Br)cccc2O1 587001911 AMZHREWRVPBUTL-AWEZNQCLSA-N 407.267 5.114 0 1 HKAF Cc1cc2c(Br)ccc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2o1 587004619 VXORQUDBAAOMFD-UHFFFAOYSA-N 411.177 5.946 0 1 HKAF CCCn1cnc2cc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)cc(Br)c21 587004644 XCSDVDSUMPYPAI-UHFFFAOYSA-N 424.224 5.166 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4c(OC(F)(F)F)cccc4[nH]3)cc2)n1 587020509 UKQSBJDXKJSPLM-UHFFFAOYSA-N 421.469 6.186 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc3c(cc2[nH]1)OCO3 587071343 KHUBHMRHFLEXIO-CKFQAHFWSA-N 401.293 5.965 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(C(N)=O)cc2[nH]1 587071389 KQOVUYGZOQMNLE-IXMVKTJZSA-N 400.309 5.335 0 1 HKAF Cc1cc(Br)c2[nH]c([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2c1 587079880 LOWUGEMDNWMTBR-CQSZACIVSA-N 403.711 5.011 0 1 HKAF COc1ccc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c(C(F)(F)F)c1 587095742 SVLURCRZLCCBPQ-UHFFFAOYSA-N 406.589 5.068 0 1 HKAF CCOC(=O)C(F)(F)[C@H]1CCCc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587104514 SOLDYUXGRCZTBY-INIZCTEOSA-N 407.416 5.065 0 1 HKAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587114310 YRNFGWFDSYJSIT-KRWDZBQOSA-N 416.230 5.288 0 1 HKAF Cc1cc(Br)c(-c2nc3ccc(Br)c(F)c3[nH]2)cc1F 587137526 AMWUAXGKOJOEKG-UHFFFAOYSA-N 402.036 5.342 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2c1 587145225 IZWVYJAMOJOPMN-UHFFFAOYSA-N 406.460 6.191 0 1 HKAF Fc1ccc(-c2ccsc2-c2nc3ncc(Br)c(Cl)c3[nH]2)cc1 587164923 ZCLDMTFDSSFNFW-UHFFFAOYSA-N 408.683 5.908 0 1 HKAF CC(C)CCOc1cc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2cc1Br 587173718 HRUCBQGORMCJOX-LJQANCHMSA-N 419.294 5.566 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCc3c(Cl)cc(F)cc32)[C@H]1c1ccc(F)cc1 587338606 TYJUITGEZIKMRB-GMAHTHKFSA-N 412.819 5.524 0 1 HKAF Cc1cccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587356704 RFIXBSYZDRPADM-IAPPQJPRSA-N 424.471 6.142 0 1 HKAF COc1cccc(-c2cc(CC(=O)N3CCCC[C@@H]3C)nc3c2oc2ccccc23)c1 587362448 FHNXRWZFLPDSOA-KRWDZBQOSA-N 414.505 5.600 0 1 HKAF COc1cccc(-c2cc(-c3cccc4cnn(C)c34)nc3c2oc2ccccc23)c1 587363442 NNMQQJQHHHHJSD-UHFFFAOYSA-N 405.457 6.210 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccc(-c3ccccc3)c1)O2 587405630 MPYWPPRDYWHCRY-MUUNZHRXSA-N 405.497 6.153 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccc(Cl)c(Cl)c1)CC2=O 587458938 ATQBCVUARJZMFZ-NELJVSICSA-N 420.336 5.588 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)c(OCc3ccccc3)c(C)c1)CC2=O 587484166 YKBRAZSZIZEOFF-VWLOTQADSA-N 416.517 6.247 0 1 HKAF O=C1C[C@@]2(C=C(c3ccccc3)Oc3ccc(F)cc32)Oc2c1ccc1c2CCCC1 587506750 LMVPUKRRRQXZFY-MHZLTWQESA-N 412.460 5.999 0 1 HKAF CC(C)=CCC/C(C)=C/CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603795 RQRJUFZBXZEUEM-HYYXHUFVSA-N 406.522 6.585 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CC1CCCC1)c1ccccc1 587604378 WCEZCLAHNCLSTO-ZEQKJWHPSA-N 400.474 5.830 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccs2)cc1 587610332 FMOUOWIYXQYUDZ-URXFXBBRSA-N 400.455 5.824 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]2c2ccccc2Cl)N1 587692629 BONSKQAZKHVMFT-ASNKJTAVSA-N 408.742 5.939 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2cccc(Cl)c2)N1 587699611 LCPHJPZABOVANG-QCJWOHOXSA-N 423.757 5.095 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(C(F)(F)F)c2)N1 587711513 KVUYDYUMLVAOBO-VPTHRUTESA-N 406.192 5.370 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(F)(F)F)c2Cl)N1 587712850 RBCNVAUVQQOKHD-BCTVWOGZSA-N 422.647 5.884 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccc(F)cc3)on2)N1 587731000 GPXSNAFNTAFDMG-GIGQVBGESA-N 405.242 5.006 0 1 HKAF CCc1nc2cccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2o1 587777144 FLCKZZWTIJUAIQ-PRWKNARSSA-N 403.295 5.090 0 1 HKAF CC[C@H](C)Oc1c(OC)cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587791536 JZEXDICZEFYOQP-UVARLRKDSA-N 422.338 5.398 0 1 HKAF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(C)C 587795823 RVWWDTBYEMZASA-ZSEKCTLFSA-N 422.338 5.255 0 1 HKAF COc1ccc2ccccc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587805042 CXNDYDBHIBSLAZ-XUSGNXJCSA-N 400.291 5.374 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]2CCc2ccccc2)N1 587818079 BNJKSZUMCALZLO-YBOAYWMSSA-N 402.351 5.751 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]2CCc2ccccc2)N1 587818874 GDTUIVJHGRUHRC-FXCLAUTBSA-N 402.351 5.751 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc2c1OC(C)(C)C2 587836273 ZNTXUCWALPZPHM-BLVKFPJESA-N 404.323 5.234 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3nccs3)cc2)N1 587852813 JHPLAIWLNMFODP-BBATYDOGSA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cl)s1 587866542 GCJGUGPUDNPWKF-UHFFFAOYSA-N 400.809 5.371 0 1 HKAF c1ccc(COc2ccc3nc([C@@H](Cc4ccccc4)c4ccccc4)[nH]c3c2)cc1 587955551 NEDGIXSSHFRBRI-VWLOTQADSA-N 404.513 6.517 0 1 HKAF Oc1ccc(Br)cc1-c1cncn1CCNc1cccc2ccccc12 653850786 AKEXBYDGTNYFSB-UHFFFAOYSA-N 408.299 5.284 0 1 HKAF COc1ccc2c(c1)[C@H](c1ccc(C(F)(F)F)c(Br)c1)N[C@@H]1CC[C@H]21 962997095 QJCKXPYWHGCNMV-XWIAVFTESA-N 412.249 5.415 0 1 HKAF Cc1ccnc2c1CCN[C@]2(CCSc1ccc(Cl)cc1)c1cccs1 963069391 MGSXWKHHDAAQPO-OAQYLSRUSA-N 401.000 5.677 0 1 HKAF Fc1cccc2c1[C@@](CCC1OCCCO1)(c1ccccc1Cl)N1CCC[C@@H]1C2 963098502 IERJVOAAMUFGSJ-HOYKHHGWSA-N 415.936 5.286 0 1 HKAF CC[C@@]1(c2ccc(Cl)c(Br)c2)c2c(F)cccc2C[C@@H]2CCCN21 963106293 KCGAMPNBJVWVKD-MGPUTAFESA-N 408.742 5.916 0 1 HKAF CC(C)[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)NCCc1c(Cl)cc(Cl)cc12 963114177 XDVAHTZKRZHNJI-WIYYLYMNSA-N 413.389 5.390 0 1 HKAF COc1ccc2c(c1OC)[C@@](CC(C)(C)C)(C1CC1)N(C(=O)c1ccccc1N)CC2 963137940 IWWOBLWHYAZQMN-AREMUKBSSA-N 422.569 5.026 0 1 HKAF CC[C@](O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1cc(C)no1 1772628200 OJDAGVRVDHLHFS-QFIPXVFZSA-N 413.304 6.151 0 1 HKAF COc1ccc(-c2cc(OC(C)=O)c3c(-c4ccc(Cl)cc4)c(N)oc3c2)cc1 1772632772 HRDFMSQGJDCMJG-UHFFFAOYSA-N 407.853 5.936 0 1 HKAF Clc1cc(Cl)cc(CN[C@H]2CCCCN(c3nc4ccc(Cl)nc4[nH]3)C2)c1 1772644892 HUYBQYUGYRDAGP-HNNXBMFYSA-N 424.763 5.067 0 1 HKAF Oc1ccc2c(c1)Cc1c(-c3ccccc3O)cc(-c3ccc(C(F)(F)F)cc3)nc1-2 1857565140 ZFYGTUASOIIZKE-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF CN1C(=N)N[C@](c2ccccc2)(c2cccc(-c3cccc(-c4ccccc4)c3)c2)C1=O 1857574582 RMAXPKCSJAUMAL-MUUNZHRXSA-N 417.512 5.261 0 1 HKAF CCCCCCOc1c(-c2ccc(OC)c(OC)c2)oc2cc(OC)ccc2c1=O 1857652634 LUCKOIFNPYFARJ-UHFFFAOYSA-N 412.482 5.445 0 1 HKAF Cc1cccc(-c2c(-c3ccnc4ccccc34)cnn2CC(=O)Nc2ccccc2)n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c1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N1CCC(Cc2ccccc2)CC1 95569198 XJYGKLXNILOIJB-HHHXNRCGSA-N 412.577 5.938 0 3 HKAF COc1cccc(-c2cc3c(Nc4cc(OC)c(OC)c(OC)c4)nccc3[nH]2)c1 206055922 JERPPALOPSCDHR-UHFFFAOYSA-N 405.454 5.008 0 3 HKAF CCO[C@@H](Cc1ccc(OC/C=C(\c2ccccc2)c2ccc(F)cc2)cc1)C(=O)O 12358210 SNMFWHCQPZSLEZ-WWNGRIQCSA-N 420.480 5.369 0 1 HKAF CCCCN(C)C(=O)CCS[C@@H](Cc1ccc(O)cc1)c1ccc(OC)cc1 13600987 MYQOBWKWNXCFGC-QFIPXVFZSA-N 401.572 5.066 0 1 HKAF CCCCC1=NC2(CCCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1 13833567 MFRBWXHTGUQKIS-UHFFFAOYSA-N 418.537 5.686 0 1 HKAF C[C@]1(C(=O)NC2C3CC4CC(C3)CC2C4)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12 28526481 GBNHOQWDXVLAFY-SRYDNDORSA-N 407.598 5.343 0 1 HKAF Cc1cc(CCCCCOc2c(Cl)cc(C3=NCCO3)cc2C(C)(C)C)on1 28759027 UFFXLUULWCBDQY-UHFFFAOYSA-N 404.938 5.503 0 1 HKAF C[C@H](Nc1cc(Nc2nccc(-c3ccc(Cl)cc3)n2)ccn1)c1ccccc1 29126643 VWWGQVNLCGWZPF-INIZCTEOSA-N 401.901 6.109 0 1 HKAF CC(C)OC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1-c1cccc(Cl)c1 29129702 BXOPOHHVSSYLNM-UHFFFAOYSA-N 421.924 6.144 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](N)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34010794 MUNYFYVFFYKFPN-XZPSAQQASA-N 403.695 6.406 0 1 HKAF Cc1ccc(F)c([C@@H]2[C@@H]3C=CC[C@H](c4ccccc4)[C@@H]3C(=O)N2Cc2ccccc2)c1 36388412 JKQUHEGFTUFCCP-YWUUFRFPSA-N 411.520 6.194 0 1 HKAF FC(F)C(F)(F)Sc1nc(-c2cccc(Cl)c2)c(-c2cccc(Cl)c2)[nH]1 40641009 XYFWCMNMGHNHOY-UHFFFAOYSA-N 421.246 7.001 0 1 HKAF CCC/C(=C\Cl)CCCC(=O)N[C@H](C)C[C@@H](C)C(=O)[C@@H](C)CC/C=C/Cl 49046426 OEEXJHFQVSGEBK-FAFVFTSCSA-N 404.422 6.348 0 1 HKAF CCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2c(C)ccc2C)c1C 66259246 BIYITNDKXCVEFF-UHFFFAOYSA-N 419.356 5.425 0 1 HKAF CCC1=N[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)N(CC)CC 72113451 LDXRYBCPRRDKRJ-LEWJYISDSA-N 418.368 6.362 0 1 HKAF Cn1c(Nc2ccccc2)nc2cnc(Nc3ccc(Oc4ccccc4)cc3)cc21 82081850 FFTHSEQQTYQPBJ-UHFFFAOYSA-N 407.477 6.248 0 1 HKAF O=C(NCc1ccccc1Cl)c1cnc(NC2CCCC2)nc1-c1ccccc1 82133264 UQQVKZUMVKVWLM-UHFFFAOYSA-N 406.917 5.082 0 1 HKAF CC1CCN(c2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3ccco3)n2)CC1 82143046 JGQJBBXDNVBSHO-UHFFFAOYSA-N 418.541 5.024 0 1 HKAF CCC(CC)c1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1C[C@H]1CCCO1 82188792 ZVRRCRGHGBUQKV-YLJYHZDGSA-N 407.562 5.125 0 1 HKAF CN(C(=O)c1cnc(NCc2ccccc2)nc1-c1ccccc1F)C1CCCCC1 82217118 HNAVDCUMBZXGOQ-UHFFFAOYSA-N 418.516 5.300 0 1 HKAF CC[C@](C)(C/C=C1/C[C@@](CO)(COC(=O)C[C@@](C)(CC)C(C)C)OC1=O)C(C)C 87723365 CPXHOALOZNWMML-RQPWZEESSA-N 410.595 5.059 0 1 HKAF CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 104004155 CPPWNAVIQMFNFF-NRFANRHFSA-N 407.901 5.490 0 1 HKAF Cc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccc5c(c4)OCO5)C3=C(O)C2)cc1 104033547 BCYOGWFEJZSCQQ-XHCCPWGMSA-N 424.500 6.353 0 1 HKAF Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(-c3ccn[nH]3)s2)c1 141804033 VAIIWFKTKINPPR-UHFFFAOYSA-N 402.405 5.061 0 1 HKAF O=C(O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCCc4cc(F)ccc43)nc2c1 143655473 ODDUDYGTHBSDRN-UHFFFAOYSA-N 417.415 5.358 0 1 HKAF CCCCN(C)Cc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 145626042 BTKZSYOCVZGCOB-JOCHJYFZSA-N 408.567 6.234 0 1 HKAF O=C(/C=C/C=C/c1ccc2c(c1)OCO2)NCCC(c1ccccc1)c1ccccc1 169348434 PONPHLXOJMTXRV-AITIXOJYSA-N 411.501 5.323 0 1 HKAF C[C@H]1CCCC(=O)N[C@@H](c2ccccc2)[C@@H](C)CCCC(=O)N[C@@H]1c1ccccc1 169351627 VXISWQYLXNBKND-WJQBNGMASA-N 406.570 5.328 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@@H]1c1ccc(-c2ccccc2)c(F)c1 169728395 JDBBGSVRIRQZTP-DNQXCXABSA-N 419.496 5.483 0 1 HKAF CC1CCN(c2c(S(=O)(=O)c3ccc(Cl)cc3)cnc3c(F)cccc23)CC1 201540861 ADKWVXXTKYYIJK-UHFFFAOYSA-N 418.921 5.096 0 1 HKAF COc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(/C=C/C(=O)O)cc2)cc1 221175213 JAWCHRNRHSJRGG-YIXHJXPBSA-N 418.470 6.173 0 1 HKAF C/C=C(/CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 257380054 ARTLJRSXUMKHFS-NOJXRWHISA-N 412.702 8.233 0 1 HKAF endogenous,in-man c1ccc(C2=NN[C@H](c3ccc(OCc4csc(-c5ccccc5)n4)cc3)C2)cc1 299852520 UAZQDZOSPDBIGV-DEOSSOPVSA-N 411.530 5.828 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(-c4csc([C@H]5CCCO5)n4)[nH]c3c2)cc1 587017797 ZONYYPNIXZOENU-LJQANCHMSA-N 421.478 5.117 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4ncc(C(F)(F)F)cc4[nH]3)cc2)n1 587020552 VASPLDDMFQAQIF-UHFFFAOYSA-N 406.458 5.701 0 1 HKAF CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cccnc2[nH]1 587073281 JGBUBJUOJDOJBO-QFIPXVFZSA-N 412.921 5.080 0 1 HKAF FC(F)(F)c1cc(Cc2nc3cc(Br)cnc3[nH]2)cc(C(F)(F)F)c1 587110368 SKRPLXIGVZANOC-UHFFFAOYSA-N 424.142 5.349 0 1 HKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587113594 NRDJYUNEALYWAJ-SECBINFHSA-N 406.757 6.600 0 1 HKAF CCCCOc1cc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c2cc1Br 587136447 HKALKBCYABLISW-UHFFFAOYSA-N 414.225 5.171 0 1 HKAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(F)cc(Br)c3[nH]2)c1 587242595 WXOHJTHNEGOXMK-UHFFFAOYSA-N 422.254 5.184 0 1 HKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cncc(Br)c2[nH]1 587247560 OWIUUNQRGHKXGD-UHFFFAOYSA-N 409.287 5.135 0 1 HKAF C[C@@]1(c2ccc(OCCF)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335415 QWVROQWXZNRIKK-VWNXMTODSA-N 410.416 5.154 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(CCc1c(C)nc4ccccc4c1Cl)[C@@H](C2)C3=O 587420566 IRBCFVKWJTUUHJ-UUOWRZLLSA-N 407.897 5.344 0 1 HKAF COc1cc2c3c(c1)O[C@](CCc1ccc(Br)s1)(C(C)C)[C@@H](C2)C3=O 587451508 PBHRQPRDWNEOIE-MGPUTAFESA-N 421.356 5.294 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Br)c(Cl)c1)CC2=O 587456033 IZIYLDSATDHGPR-LJQANCHMSA-N 409.707 5.641 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(Oc3ccc(Cl)cc3)c1)CC2=O 587462581 PIRVBSAEPRKGOP-HSZRJFAPSA-N 408.881 6.497 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]3CN(Cc4ccccc4)C[C@H]31)CC2=O 587483442 CNKNKFQYLQXPNW-HRRBBWQUSA-N 419.565 5.371 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cccc4ccccc34)cc1)CC2=O 587486200 XCDUUZWDESRPCP-HHHXNRCGSA-N 408.497 6.871 0 1 HKAF Cc1ccc(-c2nc3c(C)cccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587516436 XHABCPROHUDELK-XMMPIXPASA-N 422.528 6.203 0 1 HKAF COC(=O)c1ccc(-c2ncccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587518148 CARGLARPWUAJAI-HSZRJFAPSA-N 413.473 5.121 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccc(F)cc2)s1 587572035 QKYGYSKORWVESJ-SIKLNZKXSA-N 419.433 5.358 0 1 HKAF Cc1ccc([C@]2(c3cccnc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587584518 ARDVTGGOKNMZFF-ZEQKJWHPSA-N 409.441 5.001 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC2CCCCC2)nc1 587587457 MWSUUNXMSGQNQR-RCZVLFRGSA-N 417.461 5.202 0 1 HKAF C[C@@]1(c2cccc(-c3cccc(O)c3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607055 HALXHERNPRFVCS-IGKIAQTJSA-N 424.452 5.642 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccs2)cc1 587610325 FMOUOWIYXQYUDZ-QPPBQGQZSA-N 400.455 5.824 0 1 HKAF O=C(c1c(-c2ccc(Cl)cc2Cl)[nH]c2cc(Cl)c(F)cc12)C(F)(F)F 587629116 VBZANDNLGIFHAW-UHFFFAOYSA-N 410.581 6.679 0 1 HKAF O=C(O)[C@H](c1cccc(Cl)c1)c1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 587629218 YSGQGHPVUGHHMK-QGZVFWFLSA-N 414.263 6.497 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cc(Cl)ccc3n2)N1 587695238 IZVYIOPFSYSKCS-DGIBIBHMSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2cc(Cl)cc(Cl)c2)N1 587700140 LURFPUKOCMSPSU-XTZNXHDOSA-N 417.149 5.887 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2cccc(Cl)c2)N1 587704139 SMOHUKMXFMUFHD-APBUJDDRSA-N 420.713 5.255 0 1 HKAF Cc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587710848 UOOSIOYCMSGZCC-APPDUMDISA-N 402.229 5.237 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccco1 587750570 ITZUPXIPVYFGGF-GTJPDFRWSA-N 417.322 5.271 0 1 HKAF CCCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587790750 GGLCKSRRXABNJE-YUNKPMOVSA-N 408.311 5.009 0 1 HKAF CCCOc1cc2c(cc1[C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)CCC2 587792383 KRLSOTQYUWLNNA-DMZKTXOQSA-N 418.350 5.489 0 1 HKAF Cc1cc(Br)sc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587844017 LIQFQOPMPBPBGE-RTHLEPHNSA-N 419.157 5.344 0 1 HKAF Cc1ccsc1[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587845022 QFKLCHATBRVFHN-SPLOXXLWSA-N 416.359 5.784 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(N2CCCC2)cc1Cl 587870976 MSISOQXVZVMNFS-UHFFFAOYSA-N 413.880 5.030 0 1 HKAF Cc1ccc(-c2csc(-c3cccnc3Nc3ccc(C(C)(C)C)cc3)n2)cc1C 587921476 YIVKLHHZBXRZII-UHFFFAOYSA-N 413.590 7.530 0 1 HKAF C[C@@H]1CC=CC[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587970467 HXTQJIGMTFUJTI-UKRRQHHQSA-N 401.919 5.087 0 1 HKAF Fc1ccc(C2CCC3(CC2)NC2(CC2)Cc2ccc(Br)cc23)cc1 961615551 PJYJTFXDNYYQQL-UHFFFAOYSA-N 400.335 5.820 0 1 HKAF COC[C@@]1(c2ccc(C(F)(F)F)cc2)c2ccsc2CCN1Cc1ccco1 962711701 UOMGYBZEQPBMGG-HXUWFJFHSA-N 407.457 5.308 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccccc2)(c2ccc(OC)cc2Cl)N1 962938853 ABKXRNSJVVFZFB-DWXRJYCRSA-N 416.952 6.046 0 1 HKAF Oc1cc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c2ccccc2c1 962951853 GEKCYIRSKNLULM-JOCHJYFZSA-N 413.439 5.305 0 1 HKAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@]21C=C[C@@H](C(F)(F)F)CC1 962956597 MCLSZIFSORREEE-ACJLOTCBSA-N 405.382 5.081 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(-c3cnc(OC)cc3C)s2)N1 962962942 YUAOZSLCJNNADD-OWJWWREXSA-N 403.551 5.622 0 1 HKAF CCOC(=O)CCCC[C@@]1(c2ccc(CC)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963106743 NBZZKCDNZYQYIR-SHQCIBLASA-N 423.572 5.776 0 1 HKAF CCOC(=O)CC[C@@]1(c2cc(C)c(C)cc2C)c2c(F)cccc2C[C@H]2CCCN21 963113563 RSEBLGDTFLNKNQ-QFQXNSOFSA-N 409.545 5.358 0 1 HKAF CCCc1[nH]nc2c1[C@H](c1ccc(SC)cc1)c1c(nc3c(c1N)CCCC3)O2 1772569678 AQRLJJMSRUKJPW-SFHVURJKSA-N 406.555 5.226 0 1 HKAF Cc1cn(-c2ccc(-c3csc(Nc4c5c(nn4C(C)C)CCC5)n3)cc2F)cn1 1857599136 RPHWSLBXUOMLGT-UHFFFAOYSA-N 422.533 5.453 0 1 HKAF C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C=C(O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 2356359236 GPPRBZOWVGZNTF-LAWTUVKMSA-N 412.614 6.405 0 1 HKAF CCCC[C@H](O)[C@@H](O)C=CC(=CCCCCCCCC(=O)O)Cc1cccc(O)c1 2356370496 ATAJQQPGGBYETR-ZEQRLZLVSA-N 418.574 5.145 0 1 HKAF C[C@@H]([C@@H]1CCCCCN1C)[C@@H]1C=C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356457110 CYFQJGWMRWJPGL-JAFQAJIXSA-N 411.674 6.213 0 1 HKAF CC(=CCC[C@H](C)C[C@H]1OC(=O)C(C)=C1O)CCC=C(C)CCCc1ccoc1 2356623697 KMWTVCMTGSLJFU-NZQKXSOJSA-N 400.559 6.839 0 1 HKAF CO[C@]12C[C@](C)(O)[C@@H]3C[C@]4(C)CC[C@H]([C@H](C)C=CC=C(C)C)[C@@H]4CC=C(CO1)[C@H]32 2356725327 FGDVBOIMXKJEPX-ITHXPZIPSA-N 400.603 5.658 0 1 HKAF CO[C@@H]1CC(=O)[C@@H]2[C@@]34CC[C@@H]5[C@H](CCC(C)C)CCC[C@@H]5[C@]3(C)[C@@](C)(CC4)[C@@]12O 2356846642 OPAUAZBACXZIPA-FMWPBDQMSA-N 402.619 5.390 0 1 HKAF CC(C)(C)c1noc(-c2ccsc2)c1C(=O)NCc1cccc(OC(F)(F)F)c1 775878 ORKPWWIFPAYTOV-UHFFFAOYSA-N 424.444 5.529 0 1 HKAF CC(C)c1ccc(-c2onc(-c3ccccc3F)c2C(=O)NC2CCCCC2)cc1 2482267 ISBBZFDQUVXXJV-UHFFFAOYSA-N 406.501 6.334 0 1 HKAF COc1cc2c(cc1CC=C(C)C)[C@H]1COc3cc(O)c(CC=C(C)C)c(O)c3[C@H]1O2 14781054 YCYLVHIWXLJVIC-BCHFMIIMSA-N 422.521 5.734 0 1 HKAF endogenous,in-man Cc1c(NS(=O)(=O)C(C)C)cccc1N(Cc1ccccc1)Cc1ccccc1 26279247 DBYMSGSYNMIMNO-UHFFFAOYSA-N 408.567 5.352 0 1 HKAF CCOC(=O)C1=C(c2ccoc2)N=C(C)/C(=C(/O)OCC)[C@H]1/C=C/c1ccccc1 27525287 NANOPLXYCXWAMA-NIOOJTEBSA-N 407.466 5.164 0 1 HKAF c1ccc(-c2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@@H]4c2ccco2)cc1 28712265 KQILLBSELBWUOK-QFIPXVFZSA-N 416.440 5.823 0 1 HKAF CCN(CC)CCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc2ccc(N)cc12 29206411 ABRLNUMSGVQLCE-UHFFFAOYSA-N 419.360 5.016 0 1 HKAF CC[C@H](c1ccc(O)c(CCCOCc2ccccc2)c1)[C@@H](CC)c1ccc(O)cc1 29399460 VITJPUXVMNSXDP-RRPNLBNLSA-N 418.577 6.935 0 1 HKAF CCCCCC[C@@H](O)CCCCCCCCCCC(=O)NCCc1ccc(O)cc1 35066229 PMDCEHHRRNMYGY-XMMPIXPASA-N 419.650 6.283 0 1 HKAF Clc1ccc([C@@H](c2ccccc2)N2CCN([C@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)cc1 35901834 BEMCBSQBMKYLNS-CYUUXAIJSA-N 423.044 6.406 0 1 HKAF CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc3c2CCCC3)c1 43012429 WLVDBLWXNWQIPT-UHFFFAOYSA-N 403.570 5.737 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 44963733 JQMQKOQOLPGBBE-DOCMGSTKSA-N 402.663 6.648 0 1 HKAF O=C(Nc1ccc(F)cc1)N1CCc2ccncc2[C@H]1c1ccc(C(F)(F)F)cc1 59185785 HWFXDMOBQPNQNX-HXUWFJFHSA-N 415.390 5.419 0 1 HKAF CNc1ncnc2c(CNc3cc(NC(=O)c4cc(C)oc4C)ccc3C)cccc12 64526546 OXTWGCZDTAVIGX-UHFFFAOYSA-N 415.497 5.054 0 1 HKAF Cc1cccc(-c2nc(NC3CCCC3)ncc2C(=O)NCc2ccccc2Cl)c1 82146320 XSMLVWXDZANAJG-UHFFFAOYSA-N 420.944 5.390 0 1 HKAF Cc1oc(-c2cnc(NCC3CC3)nc2-c2ccccc2F)nc1-c1ccccc1 82175400 LQVBTZJGGBWNLF-UHFFFAOYSA-N 400.457 5.735 0 1 HKAF CC[C@@H](C)Cn1c(C2CCCCC2)nc2c(NCCc3ccccc3F)ncnc21 82180796 KFLWOJINQYODEN-QGZVFWFLSA-N 409.553 5.714 0 1 HKAF Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4ccc5ccoc5c4)C[C@@H]3C)cccc2[nH]1 95607295 HFEAGUBAIYKXAC-BWAGFHJFSA-N 418.537 5.230 0 1 HKAF Cc1ccc(-c2c(C)noc2[C@H]2[C@@H](c3ccc(Cl)cc3)C[C@H]3CC[C@H]2N3C)cc1 101165963 JRAFMQOJLVTPIG-AZKZNFPZSA-N 406.957 6.346 0 1 HKAF COC(=O)CCn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1 103211889 BVIGNPPVZOZPOJ-UHFFFAOYSA-N 410.688 5.135 0 1 HKAF COc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2C)cc1 104700315 HMTQYJCRDXQXDK-QHCPKHFHSA-N 402.494 5.451 0 1 HKAF CC1(C)/C=C/C[C@@]2(C)Oc3ccccc3C[C@@H]2CC[C@@]2(C)Oc3ccccc3C[C@@H]2C1 138377151 ISSPUSZYYOWQJE-LBGGBEFWSA-N 416.605 7.163 0 1 HKAF C[C@]1(O)CC[C@H](c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)C1 139062184 NKMTUVVLEAOPMD-FYSMJZIKSA-N 417.534 6.246 0 1 HKAF O=C(c1ccc(Oc2ncccc2-c2ccnc(F)c2)cc1)c1nc2ccccc2[nH]1 139473463 INRMQSCSZLMLCA-UHFFFAOYSA-N 410.408 5.182 0 1 HKAF O=C(Nc1ccc(-c2csc(Cc3ccccc3)n2)cc1)N1Cc2ccccc2C1 166069084 GZQCUEACPSQEHJ-UHFFFAOYSA-N 411.530 5.949 0 1 HKAF C[C@H]1CCCN1c1cccc(Nc2cc(-c3ccccc3Cl)nn3ccnc23)n1 207382527 RUQPCYMRRNVXIX-HNNXBMFYSA-N 404.905 5.177 0 1 HKAF FC(F)(F)c1cccc(-c2cc(NCCCN3CCCCC3)c3ccccc3n2)c1 208042953 UVZNHQAWGSNIPA-UHFFFAOYSA-N 413.487 6.209 0 1 HKAF CCC/C=C/C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)OC(CO)CO 238789344 UVLMLZSAFTZAMD-KYLHYVSJSA-N 402.575 5.361 0 1 HKAF C[C@@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@@H]2CCN(C[C@H]3CCCCO3)C[C@H]21 254129571 RWRVBLQXKOJFGU-BVYOLEPJSA-N 406.492 5.354 0 1 HKAF CC1=CCC[C@@]23C[C@@]24CC[C@@]2(C)[C@H]([C@@H](C)C[C@@H](O)CC(C)C)CC[C@]2(C)[C@H]4CC[C@H]13 255221291 JLOKHLVFHLMHMQ-TUVFCZFKSA-N 412.702 7.779 0 1 HKAF CC(C)[C@@H](C)/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](CO)CC[C@]4(C)[C@H]3CC[C@@]21C 255262555 RKYSZGJUFBBPTD-OVFYZGDQSA-N 400.691 7.348 0 1 HKAF CCCCOc1ccc(C(=O)NN2Cc3ccccc3N[C@@H]2c2ccc(C)cc2)cc1 474605827 GGRQDEOVQXCXCL-VWLOTQADSA-N 415.537 5.445 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(-c4c(C)ccc5ccccc45)[nH]c3c2)cc1 586883165 HLBNOVVWMYEXDJ-UHFFFAOYSA-N 408.457 6.270 0 1 HKAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(C)c(C)c4[nH]3)c(=O)oc2c1C 586917710 HYKAEDRFLIXTNA-UHFFFAOYSA-N 416.521 5.839 0 1 HKAF COc1cc(/C=C\c2nc3cc(C)c(Br)cc3[nH]2)ccc1Br 586977186 OHCNEYMSWXXVAI-XQRVVYSFSA-N 422.120 5.575 0 1 HKAF COc1ccc2cc(-c3nc4ccc(O)c5c4c(c3C)-c3ccccc3C5=O)ccc2c1 586993181 UPRASRFIGSQUDL-UHFFFAOYSA-N 417.464 6.289 0 1 HKAF O=C1c2ccccc2-c2cc(-c3sccc3Br)nc3ccc(O)c1c23 586994498 VGCDTWFURDHFOY-UHFFFAOYSA-N 408.276 5.643 0 1 HKAF CC(C)Oc1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 586998541 MGMPDRQGJGZYBB-XFXZXTDPSA-N 423.310 6.543 0 1 HKAF Nc1c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)sc2cc(Br)ccc12 587032916 VSYRXIOBRWUJGA-UHFFFAOYSA-N 412.234 5.808 0 1 HKAF CCCCOc1cc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2cc1Br 587069833 FOAQLPTUZKKDIE-UHFFFAOYSA-N 421.722 5.583 0 1 HKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 587069935 MHEJIQRMMUZUBQ-QMMMGPOBSA-N 413.102 5.404 0 1 HKAF Clc1nc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)ccc1-c1ccccc1 587084243 VEJZYNYJPYUQKM-UHFFFAOYSA-N 413.933 7.097 0 1 HKAF Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)nnn1-c1cccc(Cl)c1 587103087 AYQRCWNUYIIBLQ-UHFFFAOYSA-N 422.875 5.656 0 1 HKAF CCCCCCc1c(-c2ccc(N)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587104421 HBTBEAMWWIQRKZ-UHFFFAOYSA-N 406.529 6.818 0 1 HKAF C/C=C\COc1ccc(Cc2c(C)nc3cccc4c3c2-c2ccccc2C4=O)cc1 587105848 FPOYBMRLOCYERV-ARJAWSKDSA-N 405.497 6.300 0 1 HKAF O=C(NCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1cccc(C(F)(F)F)c1 587111599 MRVHEORPQGMNDS-UHFFFAOYSA-N 421.728 5.184 0 1 HKAF Cc1c(Cl)ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 587116602 IWWNFGNEMFFSSH-UHFFFAOYSA-N 403.235 5.514 0 1 HKAF Cc1c(Br)cnc2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc12 587125837 UCXHQFFQIPZAQL-QPJJXVBHSA-N 414.250 5.811 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3cc(Br)c(F)cc3F)nc2c1 587137937 SVVLPZMGMIUTLQ-UHFFFAOYSA-N 402.036 5.342 0 1 HKAF CC(C)COc1cc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2cc1Br 587173587 FPJPHZDSIGDXBU-SFHVURJKSA-N 405.267 5.176 0 1 HKAF CC[C@@H]1S[C@H](C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H]1C 587373056 KTOXKUAWHPCPAY-VZIMCSQPSA-N 400.515 5.569 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(F)cc(Br)cc1Cl)CC2=O 587466001 LDXQTDKHMHTSRS-INIZCTEOSA-N 413.670 5.606 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(C)(C)C)C[C@@H]1C(=O)OCC)CC2=O 587477853 HODFIGOFTDZFFP-PQNFPLSNSA-N 402.531 5.074 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cccc(C)c1)([C@@H](CC)C(=O)OCC)CC2=O 587479341 HSGVPBIRMQXASA-NBGIEHNGSA-N 410.510 5.103 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(OC(=O)C(C)(C)C)cc1)CC2=O 587479983 MPLMYTMJRZJXGR-RUZDIDTESA-N 410.510 5.567 0 1 HKAF CCCCCOc1ccc([C@@]2(C3CC3)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587480512 KQTXROZWANKKSH-SANMLTNESA-N 408.538 6.184 0 1 HKAF COc1cc(C)ccc1OCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587563501 GDYXDFKGUAEYSQ-UHFFFAOYSA-N 415.209 5.240 0 1 HKAF CCCCOc1cc2nc(Cc3cccc(OCCC)c3)[nH]c2cc1Br 587569907 SJQOTCKQGIJAGO-UHFFFAOYSA-N 417.347 5.884 0 1 HKAF CCOC(=O)C(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2c(C)cc(Cl)cc12 587624916 WHQFCXOUDNLQHF-UHFFFAOYSA-N 409.791 5.561 0 1 HKAF Cc1ccc(OC(F)F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587712442 AUQGFMITBICSSU-BMLIUANNSA-N 400.238 5.122 0 1 HKAF Cc1ccc(OC(F)F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587712444 AUQGFMITBICSSU-BTDLBPIBSA-N 400.238 5.122 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(F)cc2F)N1 587723525 AULDSXBDQZYEPS-YBTHPKLGSA-N 421.260 5.281 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=Cc3ccc(N)c4cccc2c34)N1 587742814 BCPWJDILQSJSSW-YTEVENLXSA-N 409.302 5.128 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cc(N(C)C)ccc3c2)N1 587755835 POUBQZPFDGYRCF-WHEQGISXSA-N 413.334 5.431 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2CN2CCCCC2)N1 587765190 ISGAFBKBBBWAFH-OYHNWAKOSA-N 417.366 5.198 0 1 HKAF CC[C@H](OC)c1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587789260 BXKGFGVPQLBYSG-HBUDHLSFSA-N 406.339 5.483 0 1 HKAF CCOC(=O)C[C@]1(CCCC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587793426 FBBPPPYSMHYODK-VLIAUNLRSA-N 414.359 5.097 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3ccccc3)c2)N1 587812051 PBDLDHYMDWUANN-RCDICMHDSA-N 412.302 6.004 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC=C2CSc2ccccc2)N1 587845912 OUYDDMBUEGCMRB-SPLOXXLWSA-N 418.375 5.830 0 1 HKAF CSc1scc2c1[C@@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587852660 MQAPSJQJHHAJOK-MGNBDDOMSA-N 412.393 5.486 0 1 HKAF Cc1cc2c(cc1C)[C@]1(CCS2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587857963 NPPGACXZEYPSAL-RBZFPXEDSA-N 406.364 5.479 0 1 HKAF c1ccc2c3c([nH]c2c1)[C@H](C1CCOCC1)N[C@H](c1ncc(C2CCCCC2)[nH]1)C3 653730492 JXVGPGJMRYIUJF-GMAHTHKFSA-N 404.558 5.293 0 1 HKAF CCOC(=O)CC[C@@]1(c2c(C)c(C)c(C)c(C)c2C)NCCc2ccc(F)c(C)c21 962094687 UNSURGVGHDHORC-SANMLTNESA-N 411.561 5.409 0 1 HKAF COc1cc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)ccc1C(F)F 962646760 VGWYTHPJRULXOB-BWKNWUBXSA-N 420.503 5.469 0 1 HKAF CCCCOc1ccc(Cl)cc1[C@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962709723 OWPZONIJIWRZSW-GAJHUEQPSA-N 419.993 6.111 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2c[nH]c(C(=O)NC3CCCCCC3)c2)N1 962944384 HTEPSNPTMGVTLG-DWXRJYCRSA-N 418.585 5.136 0 1 HKAF CC(C)(C)c1cnc([C@@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)s1 962963642 YEPXEGJBCWLVTP-QGZVFWFLSA-N 410.505 5.200 0 1 HKAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2C1CCC(C)CC1 963863571 ZKOJIIFILRNZPU-GEAWFXGISA-N 401.547 5.499 0 1 HKAF Cc1cc(OCC(=O)Nc2cccc(O)c2)cc(C)c1Cc1ccc(O)c(C(C)C)c1 1857594153 XSFSXBQZGXGGJZ-UHFFFAOYSA-N 419.521 5.446 0 1 HKAF Fc1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1 1857648409 LVAJNXRGBCMQAQ-UHFFFAOYSA-N 421.903 5.293 0 1 HKAF CC(C)C1=C(C[C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H]1C 2356423035 LTSPMIHIWVJPLS-GNKNONNISA-N 412.702 7.635 0 1 HKAF CC1(C)CC[C@]2(C)C[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1 2356596121 FQJLCTDZJGECJX-NGYKGMDGSA-N 412.702 7.779 0 1 HKAF CN[C@@H]1CC=C2CC3=CC[C@]4(C)[C@H]([C@H](C)N(C)C)[C@H](O)C[C@]4(C)[C@H]3CC[C@@H]2C1(C)C 2356605531 JTOMBDWNZMKDRU-OQKXXBMCSA-N 414.678 5.021 0 1 HKAF CC(=CCCC1=CC(=O)O[C@@H]1O)CCC=C(C)CCC1=C(C)CCC(=O)C1(C)C 2356613295 GLWQTMBDXUQDKL-DEOSSOPVSA-N 400.559 5.727 0 1 HKAF CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]([C@@]3(C)C=CC(=O)O3)CC[C@]21C 2356649356 JRGYNXKJYVLQBR-OUONNACWSA-N 412.614 6.112 0 1 HKAF CC=C(C)[C@@H](O)[C@@H](C)C=C(C)C=CCC(C)=CCc1oc(O)c(CC)c(=O)c1C 2356741597 CQGOJARIWQVTKT-WMZHIEFXSA-N 400.559 5.561 0 1 HKAF CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(O[C@H]2CCCC3(CCCC3)C2)c1 2356773346 XKUGZEVETXTZRP-GMAHTHKFSA-N 416.602 6.107 0 1 HKAF COc1cc2c(cc1O)[C@H]1C[C@@H](C[C@@H]3CCCC[C@H]31)OC(=O)C=Cc1ccc(O)c-2c1 2356777817 DRUCJGHRVXTYRK-MANSERQUSA-N 420.505 5.396 0 1 HKAF CC=C(C)C[C@H](OC(=O)c1ccc(O)c(OC)c1)[C@H]1C(C)(C)CC[C@]1(O)C(C)C 2356843302 NKLGGRDVPJYMFG-HFMPRLQTSA-N 404.547 5.106 0 1 HKAF Cc1cc(=O)c2c(o1)O[C@]1(C)CC[C@H]3[C@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@H]1C2 2356852841 QTXCTSXJSCIHGH-YGHXZMEYSA-N 412.570 5.480 0 1 HKAF O=[S@](Cc1cc(Oc2ccc(Cl)c(Cl)c2)ccn1)c1nc2cscc2[nH]1 13448790 KBJFDQRDACOQCR-SANMLTNESA-N 424.334 5.426 0 1 HKAF Cc1c(C(=O)NC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 13474254 CSFJAMJQXZFBLH-UHFFFAOYSA-N 422.743 5.946 0 1 HKAF Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2cccnc2)c1 13487477 NYMKWKCXQGIOMK-UHFFFAOYSA-N 421.909 5.763 0 1 HKAF CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1O[C@@H](C(=O)O)c1ccccc1 13539305 FWIFZCRXGVVJKY-GOSISDBHSA-N 421.415 5.956 0 1 HKAF CC(=O)N1c2ccc(NC(=O)c3ccco3)cc2[C@](C)(c2ccccc2)CC1(C)C 13611357 JAPOEXTWJODKEF-VWLOTQADSA-N 402.494 5.373 0 1 HKAF COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCc1ccncc1 13803329 GKGQZMWDXTVJQI-UHFFFAOYSA-N 410.836 5.149 0 1 HKAF C[C@H]1C(=O)c2c([nH]c3ccc(Cl)cc3c2=O)C[C@@H]1c1ccc(C(F)(F)F)cc1 27098968 HSCRNHUFGOUESH-YGRLFVJLSA-N 405.803 5.359 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CC(=O)c2cc(O)c(C)c(C)c2O1 27621967 JSNLQPVTHCMJDC-HBNUPATHSA-N 424.625 7.932 0 1 HKAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](CC(=O)NC3CCCCC3)CN(C)[C@@H]1C2 27725892 SMKMSVJIZDCLDH-KUWBRRTOSA-N 407.602 5.021 0 1 HKAF CC(C)CNC(=O)CCc1ccc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)cc1 28822992 TWKMYSHUTIQTCV-UHFFFAOYSA-N 420.553 5.796 0 1 HKAF COc1ccc([C@@](C)(F)C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 40896089 DDAIJXKHFPVBNX-SESVDKBCSA-N 410.455 5.025 0 1 HKAF CCCOc1ccc(Oc2ccc(-c3ccc([C@@H](C)NC(=O)CCC)cc3)cc2)cc1 45253968 SLUJFMNQYLRPPU-HXUWFJFHSA-N 417.549 6.912 0 1 HKAF CCC1(CC)C[C@@H](NC(=O)Nc2cccc3cnc(C)cc23)c2cccc(F)c2O1 59264544 KRCMLCOREROPCP-OAQYLSRUSA-N 407.489 5.886 0 1 HKAF O=C1O[C@@](CCCO)(c2ccccc2)CCN1c1cccc(-c2ccc(F)cc2F)c1 72116726 TYQJYQYIJIVXSP-RUZDIDTESA-N 423.459 5.647 0 1 HKAF CC(C)(C)c1ccc(-c2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1 72124757 BTYZMPAEBZOXIM-UHFFFAOYSA-N 413.565 6.384 0 1 HKAF COc1cc(-c2ccc(N[C@@H](C)c3ccc(F)cc3)nc2)ccc1-c1cc(C)ns1 72142785 KLYGHFLJLWYYNI-INIZCTEOSA-N 419.525 6.501 0 1 HKAF CC(C)(C[C@](O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cc(F)cc2c1OCC2 73129436 UUIWYLMDKKQBJQ-JOCHJYFZSA-N 421.434 5.446 0 1 HKAF CCN1C[C@H](C(=O)OC2CCCCC2)C[C@@H]2c3cccc4c3c(cn4C(C)C)C[C@H]21 78164253 JOXZPGZYPLJYPY-ZFJSRUIDSA-N 408.586 5.448 0 1 HKAF C[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2ccccc2c1 84688326 VOYFTHFAUKEHIR-LBPRGKRZSA-N 411.345 6.368 0 1 HKAF O=C(Nc1ccccc1)c1cccc(Nc2ccc3c(c2)OCc2ccccc2C3=O)c1 95575922 GIGYFFWBMCZBEN-UHFFFAOYSA-N 420.468 5.806 0 1 HKAF O=C(OC[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc4ccccc4c1)CN32)c1ccccc1 100912738 JTWKFTQCKFYFJH-ZKWPGFEKSA-N 409.529 5.563 0 1 HKAF Cc1ccc(Cc2cc([C@H]3[C@@H](c4ccc(Cl)cc4)C[C@H]4CC[C@H]3N4C)on2)cc1 101166502 CPJBQIFONUXPDL-WBJOIXBTSA-N 406.957 5.961 0 1 HKAF CC1(C)CC2=Nc3nn(-c4ccccc4)c(O)c3[C@H](c3ccc(Cl)cc3)C2=C(O)C1 103627698 VPOPPXONJMDQIU-LJQANCHMSA-N 419.912 6.081 0 1 HKAF Cc1ccc(S(=O)(=O)c2cnc3cc(F)ccc3c2-c2cccc(F)c2)cc1F 115923269 BJFPGQKWJMNELE-UHFFFAOYSA-N 413.420 5.460 0 1 HKAF Cc1cccc(Cc2n[nH]c3cc(O)c(C(=O)N(C)c4cccc(Cl)c4)cc23)c1 116964750 GBJSHHZBRHKPMO-UHFFFAOYSA-N 405.885 5.098 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2ccccc2[nH]1 144522637 SCGWNRLWWUYWIA-UHFFFAOYSA-N 423.626 7.101 0 1 HKAF C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(c1ccccc1)CCN2C/C=C/c1cccs1 169315314 NFNOQHVSTOPWQK-ZQFQRFRXSA-N 401.575 5.720 0 1 HKAF CC(=O)OC[C@H]1[C@@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccccc2)cc1)C3 195319579 KUMJBZOBGCDDHP-WAESBZPASA-N 401.550 5.421 0 1 HKAF O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2cc(F)cc(F)c2)c1 216053444 FZFMHJMIACRNRX-UHFFFAOYSA-N 424.878 5.663 0 1 HKAF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](OC)C[C@H]1C[C@H]3O 230452499 NNSQLMYVCSICIT-BJLOMENOSA-N 420.634 5.220 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O 238769528 HYMBAQLCWUMAHD-FRKPEAEDSA-N 406.478 5.812 0 1 HKAF CC[C@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 255203774 CSVWWLUMXNHWSU-VLZUOGROSA-N 414.718 7.881 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 257378778 AOQRDALGACAKHI-MQWMRVPNSA-N 414.718 7.881 0 1 HKAF endogenous,in-man CCCC[C@H]1CC[C@H](c2ccc(-c3nc4ncc(Cl)c(Cl)c4[nH]3)cc2)CC1 586880498 LLVIVIFOOFMJOT-SHTZXODSSA-N 402.369 7.396 0 1 HKAF O=C1O/C(=C\c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c2ccccc21 586906644 OUJXCOLYXNFPRC-QPEQYQDCSA-N 409.161 5.013 0 1 HKAF Fc1cnc2[nH]c(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)nc2c1 587011815 NTYWRVYHXVCFNJ-UHFFFAOYSA-N 420.900 6.132 0 1 HKAF CCCOc1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cc1Br 587017631 OEWILLVRAKVZLN-UHFFFAOYSA-N 418.316 5.422 0 1 HKAF O=C(O)c1cc(F)cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c12 587082182 HGVSOFXVJHCRIK-UHFFFAOYSA-N 417.827 5.936 0 1 HKAF Cc1ccc2c3c(c4c(nc13)C(C)(C)N(Cc1ccccc1)CC4)-c1ccccc1C2=O 587097962 RAEJSMSZGJATKN-UHFFFAOYSA-N 418.540 6.048 0 1 HKAF COc1cc(OC)c2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 587110986 MCBYGFFYHWNXLV-UHFFFAOYSA-N 418.337 5.403 0 1 HKAF FC(F)COc1cccc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)n1 587123174 HYOFKEREANVUJV-UHFFFAOYSA-N 422.151 5.050 0 1 HKAF COC(=O)c1cc(Br)c2[nH]c([C@H](C)CSc3ccc(F)cc3)nc2c1 587170638 SCSMYGMOTYNXSV-SNVBAGLBSA-N 423.307 5.147 0 1 HKAF CSc1ccc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2c1 587232430 UHVDBEKHSNYOEN-UHFFFAOYSA-N 410.543 5.249 0 1 HKAF CC(C)(C)OC(=O)NC1(c2nc3ccc(Oc4ccccc4)cc3[nH]2)CCC(=O)CC1 587233729 BKCYNGUZHVXQDW-UHFFFAOYSA-N 421.497 5.218 0 1 HKAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)c(O)c1 587239990 DKHMAQQJNIJYQA-UHFFFAOYSA-N 413.521 5.723 0 1 HKAF Cc1nc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2o1 587348296 RFIGHHCQBCVDCG-URXFXBBRSA-N 403.409 5.255 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3cc(C(F)(F)F)ccc3n1)CC2=O 587464066 HPYWQSLORXLRGU-HXUWFJFHSA-N 401.384 5.618 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2=O 587464490 RITUEWJOLGODJX-QGZVFWFLSA-N 418.333 6.089 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)OC(C)(C)C)cc1)CC2=O 587470049 LGRMQJDDTBTYBW-DEOSSOPVSA-N 411.498 5.572 0 1 HKAF CC(C)C[C@]1(Cc2ccc(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587502844 FWLNINXDDMUHFG-DEOSSOPVSA-N 417.376 6.865 0 1 HKAF O=C1C[C@H](c2cccn2-c2ccc(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 587503870 HCFABRBLGLTHBI-JOCHJYFZSA-N 412.316 6.369 0 1 HKAF CN(C)/C=C/[C@@]1(C23CC4CC(CC(C4)C2)C3)CC(=O)c2ccc3c(c2O1)CCCC3 587508647 AZTOGGTUXPVTLZ-MFRUDVEVSA-N 405.582 5.561 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCC(F)(F)F 587551046 XVKKDPKAZNDXEJ-RXVVDRJESA-N 416.351 5.036 0 1 HKAF Cc1ccc(OCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 587566013 ZIVVQXHACQOHBQ-UHFFFAOYSA-N 423.310 5.792 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1N1CCCCC1 587596504 RLROZCOCEXYRBN-RDGATRHJSA-N 401.462 5.085 0 1 HKAF COc1cccc([C@@]2(C(C)(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587599898 IQZPRPOTKLFUPV-SQJMNOBHSA-N 404.462 5.304 0 1 HKAF Cc1ccc([C@@]2(C3CCCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587602403 JXZOIAUOGMTBPY-ZEQKJWHPSA-N 400.474 5.748 0 1 HKAF C[C@@]1([C@@H]2C[C@H]2c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612198 KXKISETYBGHVQQ-UENWRYSESA-N 412.894 5.631 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(C2CCCCC2)s1 587612299 LVOBBOVWDKJMFA-SIKLNZKXSA-N 407.491 5.599 0 1 HKAF O=Cc1cc2sc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2s1 587618417 OPBSKYBJLDYNOR-GHTZIAJQSA-N 408.456 5.184 0 1 HKAF Fc1ccc(-c2c(C3CCOCC3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 587622106 APGQMLJIAFWGBS-UHFFFAOYSA-N 414.278 5.507 0 1 HKAF O=C(c1ccccc1O)c1c(-c2ccc(Cl)cc2)[nH]c2cc(Cl)c(F)cc12 587629233 ZLSKRBGPBQZPBJ-UHFFFAOYSA-N 400.236 6.217 0 1 HKAF Fc1ccc2c(-c3ccnc4ccccc34)c(-c3ccc(C(F)(F)F)cc3)[nH]c2c1 587633886 MZBKVBVTHZAABZ-UHFFFAOYSA-N 406.382 7.208 0 1 HKAF CCc1cccc(CC)c1NC(=O)c1c(-c2ccccc2)[nH]c2ccc([C@@H](C)CC)cc12 587641890 IIYWSPJEFSBLEA-IBGZPJMESA-N 424.588 7.726 0 1 HKAF CCc1c(-c2ccc(Cl)c(Br)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587648520 GHKUKRLEZVOMAL-UHFFFAOYSA-N 412.736 5.217 0 1 HKAF COc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587692710 LNQRLWIPDQTQRB-PWJLMRLQSA-N 419.121 5.527 0 1 HKAF COc1c(Cl)cc(Cl)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587695272 QTAXNNQHAKLFAH-ZKANADHPSA-N 419.121 5.527 0 1 HKAF CC(C)[C@@]1(Cc2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587702294 WGGIELMHNPIGPW-ZUOKHONESA-N 410.758 5.870 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)cc2C(F)(F)F)N1 587710391 FZKLIBBBULMBMV-VVVCHXIZSA-N 420.219 5.544 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)nc2Cl)N1 587713295 MXQXCUJDALATQW-WJWGPLDTSA-N 423.635 5.279 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3ccccn3)c2)N1 587772422 NUCJOZYKDRUYQW-LRTDBIEQSA-N 413.290 5.399 0 1 HKAF COc1ccc2cc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 587807111 JUZJFHLCKDOTOY-MCMMXHMISA-N 414.318 5.548 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(=O)C3CCC3)c2)N1 587816278 VYXUKSIPLFIBPP-YUNKPMOVSA-N 402.307 5.195 0 1 HKAF CCc1ccc2oc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587827857 LUIDTZBWNFVMRL-LAJNKCICSA-N 402.307 5.695 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2cccs2)N1 587844887 CNPIHCCXTLYPJV-SPLOXXLWSA-N 416.359 5.670 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1c(F)cccc1Cl 587853967 BVFYNIVWDJXBLJ-UHFFFAOYSA-N 413.663 5.737 0 1 HKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587952775 XDOIVGDFAJVDEZ-GDLVEWKHSA-N 419.285 6.391 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(N)ncc2[nH]1 587959299 LDRNENZNCQKENZ-UUQHCRCUSA-N 418.629 7.394 0 1 HKAF Cc1cccc(C)c1CC[C@@]1(C2CC2)c2ccsc2CCN1Cc1cccn1C 962375704 OTLZGZUACJGIDY-AREMUKBSSA-N 404.623 6.000 0 1 HKAF COc1cc2c(cc1OC)[C@@H](c1nc3ccccc3n1CCC(C)C)N(C)[C@@H](C)C2 962624872 LIOJJKHUKAGVFQ-XDHUDOTRSA-N 407.558 5.065 0 1 HKAF C[C@]1(c2ccc(Oc3cnccn3)cc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962696990 HILJXAZZYDVROT-UUOWRZLLSA-N 421.541 5.035 0 1 HKAF CCCC[C@@]1(Cc2ccco2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962930526 VZFLLQVIBVTEBY-ZCYQVOJMSA-N 421.493 5.005 0 1 HKAF Cc1ccc(C)c([C@]2(CCc3ccccc3C)c3c(F)cccc3C[C@@H]3CCCN32)c1 963108252 OPBAMKHIUAZSFC-ABYGYWHVSA-N 413.580 6.648 0 1 HKAF CCCn1c2ccc(-c3csc(N)n3)cc2c2cc(-c3csc(N)n3)ccc21 1772590563 OMTTWCFACGBVDQ-UHFFFAOYSA-N 405.552 5.616 0 1 HKAF COc1ccc(NC(=O)c2c3c(nc4ccc(Cl)cc24)-c2ccccc2CC3)cc1 1772619519 QIJQXXNLPZCOTG-UHFFFAOYSA-N 414.892 5.915 0 1 HKAF CC(C)(C)c1cc([C@@H](SC2CCCCC2)c2ccccn2)cc(C(C)(C)C)c1O 1857548961 DPNNYJZVJOLUOG-XMMPIXPASA-N 411.655 7.538 0 1 HKAF Clc1ccc2sc(SCc3cn(Cc4ccccc4Cl)nn3)nc2c1 1857583228 LMXMPYOHJJYWFL-UHFFFAOYSA-N 407.351 5.535 0 1 HKAF CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4cccc(Cl)c4[nH]3)o2)C1=O 1857611621 HHUSLLFFMBFTGD-JYRVWZFOSA-N 419.915 5.405 0 1 HKAF O=C(Nc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1ccco1 1857618657 OJNBEZZIAIGBFP-UHFFFAOYSA-N 415.289 6.362 0 1 HKAF Nc1oc2c(-c3ccc(F)c(F)c3F)nccc2c1Nc1ccc(F)c(Cl)c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c1c(C)cc2cccc(OC)c2c1O 2356660084 DKQZXYATHVVDTH-CKMSVJFGSA-N 407.510 5.055 0 1 HKAF CC(C)c1ccccc1SCc1cc(=O)cc(CSc2ccccc2C(C)C)o1 1655196 JYBQFOGVZKQGNA-UHFFFAOYSA-N 424.631 7.471 0 1 HKAF CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214629 BZCDRGDJCUQWJB-WUEDSLEZSA-N 422.569 5.273 0 1 HKAF C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 6036049 CRBBVTAXSNJDMS-HUYSPLOCSA-N 400.647 6.280 0 1 HKAF CCCCCCSc1nc(-c2ccc(C)cc2)nn1C(=O)N(C)c1ccccc1 13533155 YYCOPUATVSTVRR-UHFFFAOYSA-N 408.571 6.030 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)NC(=O)N(c1ccccc1)c1ccccc1 13738000 MANKFQZSIMWMCK-UHFFFAOYSA-N 415.537 7.013 0 1 HKAF Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)c(CO)n2C1CCCC1 26270248 URRPZVFWMHHCKB-UHFFFAOYSA-N 400.482 5.080 0 1 HKAF O=C(c1ccc(Cl)cc1Cl)[C@@](Br)(Cn1ccnc1)c1ccccc1 26401409 OFVFLJYYCOTCFY-GOSISDBHSA-N 424.125 5.363 0 1 HKAF C/C=C/C/C=C/C/C=C/CCCCCCCC[C@@H]1OC[C@@H](COP(=O)(O)O)O1 28564422 DXOPTPZUSBDQEI-ZKBMHLGVSA-N 416.495 5.427 0 1 HKAF CC(C)(N)c1ccc(-c2nc(Nc3cccc(Br)c3)ncc2Cl)cc1 28821328 HXPISZQYKPVCLW-UHFFFAOYSA-N 417.738 5.497 0 1 HKAF Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)cc1 28872277 IBUBOUOTEUQLEO-AREMUKBSSA-N 409.533 5.024 0 1 HKAF C/C(=C\CC(C)C)[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@@]21C 33820701 VCPSCMZUIRKCJL-MNELPKIJSA-N 410.642 7.273 0 1 HKAF CCOC(=O)C1=CN(C(=O)c2ccc(Cl)cc2)CC(C)(C)c2c1[nH]c1ccccc21 38939746 OSEILIMCSUKCSZ-UHFFFAOYSA-N 422.912 5.159 0 1 HKAF CC(C)N1C(=O)N[C@H](c2ccc(OCc3ccccc3)cc2)c2cc3c(cc21)OCO3 40465729 KIAPHQQBSWORBT-XMMPIXPASA-N 416.477 5.022 0 1 HKAF COc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 45373349 YERHZHAAROTWLN-UHFFFAOYSA-N 408.841 5.174 0 1 HKAF CO[C@@H]1C[C@@H]2[C@@](C)(c3cocc31)[C@H](O)C[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]21C 49034811 QMHFSZLROLPKPK-UHLZIHARSA-N 400.603 6.258 0 1 HKAF c1ccc2c(c1)[nH]c1c[n+](CCCCCC[n+]3ccc4c(c3)[nH]c3ccccc34)ccc12 49067653 MSKHZKJIIIDYDG-UHFFFAOYSA-P 420.560 5.791 0 1 HKAF CC1=C(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H](c2ccco2)n2c(nc3ccccc32)N1 64448316 PANQGLQEYXTMEB-HXUWFJFHSA-N 422.847 5.349 0 1 HKAF CCN(Cc1sccc1C)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 64732411 GPZIPKKBGVEKRN-UHFFFAOYSA-N 403.507 5.422 0 1 HKAF CCCCCc1cc(=O)oc2c(CC=C(C)C)c(O)c(C(=O)CC(C)C)c(O)c12 66124465 XLQSXCISSFNQTD-UHFFFAOYSA-N 400.515 5.674 0 1 HKAF biogenic CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 69482292 SGNBVLSWZMBQTH-KWNYUGHLSA-N 400.691 7.635 0 1 HKAF biogenic,in-vitro O=C1CCN(Cc2ccccc2)C[C@H]1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 72116455 XSUBYFZEWIMHTL-HSZRJFAPSA-N 424.371 6.217 0 1 HKAF Cc1ccccc1-c1nc(NCCc2cccc(F)c2)ncc1-c1nc(C)c(C)o1 82177560 YGSMVCJJBWYKFJ-UHFFFAOYSA-N 402.473 5.518 0 1 HKAF CC[C@@H](C)Sc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1cccc(OC)c1 100703510 LJKQSKJROLDMDZ-PXAZEXFGSA-N 411.527 5.295 0 1 HKAF c1ccc2c(COc3nn(Cc4cccc5ccccc45)c4ccccc34)cccc2c1 103262991 OFOSJBGHHQNQQX-UHFFFAOYSA-N 414.508 6.970 0 1 HKAF Oc1c([C@@H](c2ccccn2)N2CCC(c3ccccc3F)CC2)ccc2cccnc12 144730844 FPIXGCGRSYQZFY-VWLOTQADSA-N 413.496 5.444 0 1 HKAF C[C@H]1n2nnnc2C[C@H]2[C@@H]3CCc4cc(OCc5ccccc5)ccc4[C@H]3CC[C@@]21C 169321563 YSCARBHPGADQDM-AWGGUZNFSA-N 414.553 5.132 0 1 HKAF Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCN4CCCCC4)c3)o2)cc1 169353059 MQDTZOKCAHKWKS-UHFFFAOYSA-N 418.541 5.307 0 1 HKAF Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccc(C(F)(F)F)nc3)c2F)cn1 224572194 RMOAHLKLQRFPRE-UHFFFAOYSA-N 404.367 5.339 0 1 HKAF CC(C)[C@H]1CCN/C1=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@@]21C 255224243 KWJAIEDSFQYEAZ-VSDZEPFISA-N 424.717 6.678 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255284051 YECJZKKYJKAQCL-CIKNPVCOSA-N 414.718 8.169 0 1 HKAF CCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Oc1ccccc1C(F)(F)F 473106987 ZPPFKJPIYMYEEO-UHFFFAOYSA-N 403.404 5.663 0 1 HKAF CC(C)CCOc1cc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2cc1Br 586884920 KCWXYJLWATVCOX-ILXRZTDVSA-N 417.347 5.389 0 1 HKAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586916907 PIINUQWMBMOMLJ-BUXKBTBVSA-N 424.806 5.331 0 1 HKAF CC(C)(Oc1ccc(Br)cc1)c1nc2cccc(Br)c2[nH]1 586995368 FPGJVDUGHWZMCQ-UHFFFAOYSA-N 410.109 5.402 0 1 HKAF Brc1c[nH]c2nccc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c12 587002803 HDEHNTWSPKDNHH-UHFFFAOYSA-N 419.282 5.448 0 1 HKAF CC(C)n1c(-c2nc3ncc(Cl)cc3[nH]2)cc(Br)c1Br 587005097 MYONRUOUBDUMMH-UHFFFAOYSA-N 418.520 5.186 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc3c(c2[nH]1)CCCC3 587034298 HBXLLWAQBJXVDW-IBGZPJMESA-N 403.551 5.928 0 1 HKAF c1ccc(COc2cccc3nc([C@H]4CS[C@H](Cc5ccccc5)N4)[nH]c23)cc1 587042034 RPXWLZFAPBZFBU-IFMALSPDSA-N 401.535 5.088 0 1 HKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(I)cc2[nH]1 587070861 XUYGTQNVXLGVNK-SNVBAGLBSA-N 424.669 5.197 0 1 HKAF O=C1c2ccccc2-c2cc(Cc3ccc(Br)c(F)c3)nc3cccc1c23 587104408 SZHCHAGOEXGMLN-UHFFFAOYSA-N 418.265 5.939 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cccc(Oc4ncccn4)c3)nc3cccc1c23 587107247 QFOPHIIKFOUTGF-UHFFFAOYSA-N 401.425 5.696 0 1 HKAF COc1cccc(-c2cc(F)cc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2)c1 587160678 ZYRABRUJMVWNFU-UHFFFAOYSA-N 422.769 5.458 0 1 HKAF c1ccc(CN(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)c2ccccc2)cc1 587195734 JLXNRSKCFVQMDX-UHFFFAOYSA-N 421.569 6.921 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C(C)(C)C 587204861 MQXLVUAHZFTPNU-CYBMUJFWSA-N 403.420 5.203 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587232963 DWOJAOUHXZUDEC-ZWNOBZJWSA-N 401.404 5.272 0 1 HKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 587241688 HDLVZEYARGPNMD-UHFFFAOYSA-N 421.726 5.416 0 1 HKAF C[C@@]1(c2ccnc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332306 RTHUULKGUCAOTI-CTNGQTDRSA-N 417.358 5.219 0 1 HKAF CCCC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332917 KIUOAZJQERHWER-ILBGXUMGSA-N 408.444 6.115 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccccn2)(C2CCCCC2)[C@@H]1c1ccc(F)cc1 587341380 WLGWVSZCMPCVOC-RSXGOPAZSA-N 417.480 5.761 0 1 HKAF CCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348798 AUIQSFBCJHPTJD-AOYPEHQESA-N 404.481 6.366 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)(c1ccc(Br)cc1)O2 587370561 GCRDBEIZGKNDQW-QHCPKHFHSA-N 422.322 5.443 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1nc4ccccc4n1[C@H](C)c1ccccc1)[C@@H](C2)C3=O 587433234 WQYMLKQJMBMOHU-HBVFZEQNSA-N 410.473 5.143 0 1 HKAF COc1cc2c3c(c1)O[C@@](Cc1ccccc1)(C14CC5CC(CC(C5)C1)C4)[C@@H](C2)C3=O 587445685 MMLHRAGUVKUDNW-QITUTUFKSA-N 414.545 5.641 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(Cl)cc2CCc2cccnc21 587463266 UUQVWKSYVQQLDE-RUZDIDTESA-N 419.908 5.401 0 1 HKAF C[C@@]1(c2ncc(Cl)cc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587495102 BLSGAKQTHPBMIW-IBGZPJMESA-N 406.707 5.257 0 1 HKAF COc1ccc(OCCn2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511695 ICIWNDIZSGWMKA-VWLOTQADSA-N 417.505 5.161 0 1 HKAF COc1ccc(Oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 587521869 CZBQYMBAWDODPR-RUZDIDTESA-N 400.474 6.073 0 1 HKAF CCCCc1ccc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587528495 ADIYGXZJHCRHDK-SANMLTNESA-N 406.522 5.634 0 1 HKAF CC[C@@]1(CC(=O)O)Cc2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587529159 JVMAHIRAFGQNHS-IZZNHLLZSA-N 404.506 5.243 0 1 HKAF CCc1ccc(-c2c[nH]nc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587596777 RVGVWAKRCHDIPX-OFVILXPXSA-N 412.445 5.048 0 1 HKAF CCCC[C@]1([C@H]2CCOC(C)(C)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605674 AHQJOPHDLZTOGI-SBJAYZTMSA-N 410.510 5.488 0 1 HKAF CCOC(=O)c1c(-c2cc(F)c(F)c(Cl)c2F)[nH]c2cc(Cl)c(F)cc12 587629055 DTROQHMSGSMNEZ-UHFFFAOYSA-N 406.162 5.875 0 1 HKAF CN(C)C1CCN(c2c(-c3c[nH]c4ccccc34)[nH]c3ccc(F)c(Cl)c23)CC1 587632378 VTYFQSWEHCLYRX-UHFFFAOYSA-N 410.924 5.639 0 1 HKAF O=C(O)[C@@H](c1cccc(Cl)c1)c1c(-c2ccc(Cl)cc2)[nH]c2cc(F)ccc12 587632457 CLXDTMGHDLYWHN-IBGZPJMESA-N 414.263 6.497 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(Br)ccc3O)c(CC(=O)O)c2c1 587639465 WYNBQLFOIUZXSG-LLVKDONJSA-N 402.288 5.444 0 1 HKAF CC[C@]1(c2cc(Cl)ccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587693758 FIBIGQNCJLRPSB-JEOXALJRSA-N 412.730 5.438 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cccc(Cl)c2)N1 587694858 AQRYIGQPFTYXEJ-FKIZINRSSA-N 419.725 5.656 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3cc(Br)c(C)nc3[nH]2)c1 587780436 ULOVEEAWHFCIQN-UHFFFAOYSA-N 408.299 5.762 0 1 HKAF CCC[C@H](CC1(c2nc3cc(C)c(C)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782283 RQHPPVLKHRDACP-JOCHJYFZSA-N 418.581 6.541 0 1 HKAF CC(C)CCOc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587790033 DTMPPKKIGWHOHR-LHSJRXKWSA-N 406.339 5.637 0 1 HKAF CCC[C@@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 587807432 XBOXOSNZGSHVGS-YEJXKQKISA-N 401.323 5.647 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3ccc4nonc4c3)n2)cc1 587923404 ODNJEIGGJULLJO-UHFFFAOYSA-N 412.449 6.301 0 1 HKAF CO[C@@H](C)COC1CCC(c2nc3cc(Br)cc(Cl)c3[nH]2)CC1 587952024 LIKLENVOWUOFED-ZBOXLXRLSA-N 401.732 5.057 0 1 HKAF Cc1cccc(C)c1[C@@H]1CCC[C@]2(C1)NC1(CC1)Cc1ccc(Br)cc12 961319310 HOFLWMPHPUAGBG-NTKDMRAZSA-N 410.399 6.297 0 1 HKAF COc1ccc2c(c1OC)[C@@](CCc1cccc(C)c1C)(C1CCCC1)N(C)[C@H](C)C2 962619528 DDDCIMGKHUPAJW-PIIWDFAUSA-N 421.625 6.215 0 1 HKAF CCOC(=O)CCCC[C@]1(c2ccc(CC)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963106744 NBZZKCDNZYQYIR-SQHAQQRYSA-N 423.572 5.776 0 1 HKAF FC(F)(F)[C@]1(c2cccc(Cl)c2Cl)NCCc2c(Cl)cc(Cl)cc21 963106765 LHHXCFHDYGAGOZ-OAHLLOKOSA-N 415.069 6.252 0 1 HKAF O=C(O)CCCCCC[C@@]1(c2ccc3ccccc3c2)NCCc2ccc(O)cc21 963350667 CNRXUUJVQYMYIU-SANMLTNESA-N 403.522 5.360 0 1 HKAF O=C(NC1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(Cl)cc1Cl 1772588574 DZEGOFZJGREHGY-UHFFFAOYSA-N 413.348 5.541 0 1 HKAF Clc1cc(Cl)cc(CO[C@H]2CCCN(c3nc4ccc(Cl)nc4[nH]3)C2)c1 1772597752 JVZDYTJKROHRGC-AWEZNQCLSA-N 411.720 5.104 0 1 HKAF CCCCCC[C@@H](Sc1nc2ccc(NCc3ccccc3)cc2s1)C(=O)O 1857616782 IQXYNQBOHVNJHU-LJQANCHMSA-N 414.596 6.424 0 1 HKAF O=C(Nc1cccc2ccccc12)c1cc(-c2cc3ccccc3o2)nc2ccccc12 1911571428 QXEYVKAYAOPLNL-UHFFFAOYSA-N 414.464 7.054 0 1 HKAF CCC=CCC=CCC=CCC=CCC=CCCCCCCC(=O)OC[C@@H](O)CO 2356679264 MSVZLBKCXDIACH-VWLOTQADSA-N 418.618 5.975 0 1 HKAF Cn1cc(-c2ccc(C(=O)Nc3cccc(Oc4ccccc4)c3)c3occc23)cn1 61928322 ZHXGUEICSAPTSA-UHFFFAOYSA-N 409.445 5.878 0 3 HKAF Clc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H](c1c[nH]c3ccc(Br)cc13)N2 6567400 JQPJVWFRZFPTHV-RQUSPXKASA-N 403.707 5.828 0 1 HKAF CCC[C@H](c1ccccc1)N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1 13610687 GUXOKTNDTLBAEY-HXUWFJFHSA-N 412.965 5.902 0 1 HKAF C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@@H](O)c1coc2ccccc12 14970215 YJEUJRJKVSDUPL-RZFJZAQRSA-N 414.480 5.847 0 1 HKAF O=C1O[C@H](c2ccc(Cl)cc2Cl)[C@@](Cn2cncn2)(c2ccc(Cl)cc2)O1 26005836 QJHJOFBEKRXLLA-SJLPKXTDSA-N 424.671 5.042 0 1 HKAF C1=C/C(=C/c2[nH]c(-c3ccc[nH]3)cc2OCc2ccccc2)N=C1Cc1ccccc1 26574199 SAQPDCLREHOMRG-QJOMJCCJSA-N 405.501 6.183 0 1 HKAF COc1ccc2c(c1OC)CCN(C(C)=O)[C@H]2CC(c1ccccc1)c1ccccc1 28455484 QSKLABQGWXYTGC-VWLOTQADSA-N 415.533 5.372 0 1 HKAF CC/C=C(/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)n1ccnc1 28764765 UZQZKENZESOLEQ-OQOIWIOPSA-N 407.728 6.722 0 1 HKAF CC[C@@H](C)c1cc(N)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2n1 36351886 BLQVRMCVQJLLPJ-JBNJFFQFSA-N 413.443 6.001 0 1 HKAF COc1ccc2cc(C3=[N+]([O-])c4cc(OCc5ccccc5)ccc4C3=O)ccc2c1 45261742 GINUEUMWYNBHOD-UHFFFAOYSA-N 409.441 5.255 0 1 HKAF O=C(Nc1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)c1)c1csnn1 45324971 QGKNTZXJKQGXEQ-UHFFFAOYSA-N 415.453 5.140 0 1 HKAF CCC(=O)c1oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c1N 49110867 GXIDPXCTASLXJO-UHFFFAOYSA-N 411.288 6.644 0 1 HKAF O=C(NC1CCCCC1)c1cnc(Nc2cccc(C(F)(F)F)c2)c2ccccc12 66251517 OAQNKCNJSOGBPM-UHFFFAOYSA-N 413.443 6.060 0 1 HKAF Brc1ccccc1-c1nc(CNC2CCCCCCCCCCC2)co1 72184174 ALVIZHWBWXLTPS-UHFFFAOYSA-N 419.407 6.867 0 1 HKAF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NCc2ccccc2)nc1-c1ccc(F)cc1 82139405 MENUSXUKUJQSLW-JTSKRJEESA-N 418.516 5.203 0 1 HKAF CCc1cnc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccccc2)s1 82163360 XOQJFOKTNMJYKM-UHFFFAOYSA-N 420.969 6.138 0 1 HKAF O=C(Nc1ccc2cc(CN3CCCC3)ccc2c1)c1ccc(-c2ccc(F)cc2)cc1 84759416 UUVLZGBRJNIVPH-UHFFFAOYSA-N 424.519 6.494 0 1 HKAF COc1ccc2c(c1)C(=O)c1ccc(Nc3ccc(C(F)(F)F)cc3N)cc1CC2 95572992 NAEPTEWDUWXRDA-UHFFFAOYSA-N 412.411 5.369 0 1 HKAF Cc1ccccc1-c1nnc(S)n1-c1ccc2c(Cl)c(C(=O)O)sc2c1 96273189 SZPLDYZBWWGTEL-UHFFFAOYSA-N 401.900 5.098 0 1 HKAF Cc1cccc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N2CCCC2)c1 105173949 NIXYQFLWAAPVBG-XODARUQUSA-N 418.585 5.171 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](O)CO 166799297 MSVZLBKCXDIACH-PJWGDYRXSA-N 418.618 5.975 0 1 HKAF C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@H]12)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC4 238740661 NUTMCXRUCDWJCU-IMAYSCJMSA-N 424.713 8.377 0 1 HKAF CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)C5=CCCC(C)(C)[C@@H]5CC[C@@H]4[C@@]3(C)CC[C@]12C 255277490 WOYHFQXJDWCJNV-HNJJGVBQSA-N 410.730 9.054 0 1 HKAF Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(F)cc2)oc1C 299884350 SWXXMMLRXFSWGW-KSXBUPQJSA-N 420.532 6.037 0 1 HKAF Oc1cccc2c1OCC(c1nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]1)=C2 586908832 SBXCWFOEJIZNBS-UHFFFAOYSA-N 400.278 5.239 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2ccc(OC)nc2[nH]1 586981651 KOTZPLKDVQVBOP-UHFFFAOYSA-N 404.308 5.355 0 1 HKAF COc1cc(C)c(Cl)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586985039 FEBPXQJIXNMRFA-UHFFFAOYSA-N 401.849 5.789 0 1 HKAF Cc1c(-c2cc(Cl)cc(Cl)c2O)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586985472 HWXLSUGUFSEEBB-UHFFFAOYSA-N 422.267 6.140 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc4c(c3)-c3ccccc3C4)nc3ccc(O)c1c23 586991134 JMNFGDJCPRXFIY-UHFFFAOYSA-N 411.460 6.390 0 1 HKAF N[C@H](Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1ccc(Br)cc1 586997719 RMTGLGMEKPBPHN-GFCCVEGCSA-N 418.644 5.240 0 1 HKAF Cc1ccc(-c2nc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c(C)s2)cc1 587013609 TYKYPYIXQOLINO-UHFFFAOYSA-N 418.747 6.386 0 1 HKAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(CSc4nc(C)cs4)cc3)nc2c1 587021422 LCJNFEFUSOGLCI-UHFFFAOYSA-N 423.563 5.393 0 1 HKAF COc1cc(/C=C\c2nc3ccc4c(c3[nH]2)CCCC4)cc(Cl)c1OCC(C)C 587046959 QEIUBSJJTVCJGF-FLIBITNWSA-N 410.945 6.309 0 1 HKAF COc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCO4)cc(Cl)c1OCC(C)C 587047443 XEHUMUCFQBQSOD-PLNGDYQASA-N 400.862 5.159 0 1 HKAF CCCOc1cc2nc([C@@H](C)Oc3ccc(Cl)cc3C)[nH]c2cc1Br 587066807 RSHSJNRDJDKHEY-GFCCVEGCSA-N 423.738 6.216 0 1 HKAF COC(=O)c1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2n1 587071500 NLZKREIFQOHHJO-KPKJPENVSA-N 419.868 5.147 0 1 HKAF COc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1F 587071861 QSJHWISVKXRIRI-OAHLLOKOSA-N 419.884 5.173 0 1 HKAF CC(C)(C)c1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587111109 OLOPENKTKCSUQR-UHFFFAOYSA-N 414.393 6.683 0 1 HKAF FC(F)(F)Oc1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587125348 PKVZRUHZPTURKU-FPYGCLRLSA-N 404.335 6.244 0 1 HKAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(Sc4ccccc4)cc3[nH]1)C2 587247226 MVMBYDLFMZOXBH-DEOSSOPVSA-N 401.535 5.066 0 1 HKAF COc1ccc2c(c1)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350054 JUIRCGCDJUPSIT-NOZRDPDXSA-N 404.437 5.131 0 1 HKAF COc1cccc(-c2c(C)c(-c3ccc(N(C)C)cc3)nc3c2oc2ccccc23)c1 587361367 YTVRKIDTWBDXDX-UHFFFAOYSA-N 408.501 6.698 0 1 HKAF COc1cccc(-c2cc([C@@H]3COc4ccccc4O3)nc3c2oc2ccccc23)c1 587367665 YHKOKVSFMGAFRG-DEOSSOPVSA-N 409.441 6.169 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(Sc3ccccc3)nc1Cl)O2 587414239 RWWWDTIPZKUAGP-OAHLLOKOSA-N 402.928 5.545 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1OCc1cccc(C)c1)[C@@H](C2)C3=O 587420562 QHEMNJLRWNQOOG-CPJSRVTESA-N 420.892 5.725 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4C)nc1-c1ccccc1)[C@@H](C2)C3=O 587432071 MKIJOCJPBBMVBY-DCFHFQCYSA-N 422.484 5.345 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1c(C)[nH]c3ccccc13)CC2=O 587485158 PXHZXOIJWSDPQO-HHHXNRCGSA-N 411.501 6.043 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1c(CC)oc3ccc(C(C)=O)cc13)CC2=O 587487370 ZITMOAOTIULYMS-VWLOTQADSA-N 406.478 5.737 0 1 HKAF CNc1ccc(Cl)cc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500708 NOGQNOPYWBKNNK-AREMUKBSSA-N 417.936 6.170 0 1 HKAF C[C@]1(Cc2cc(Cl)cc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544572 FLIBWTDUFYHFCD-SIKLNZKXSA-N 415.272 5.662 0 1 HKAF Cc1c(F)ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n(C)c12 587567350 GQWLUQOPIBABJL-RDPSFJRHSA-N 403.409 5.034 0 1 HKAF CCCCCCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587613122 NTMHMSIAYMAVRG-XUZZJYLKSA-N 408.519 6.279 0 1 HKAF O=C(c1ccc(Br)cc1)c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587628761 PAIGEZWYMUVIHI-UHFFFAOYSA-N 420.587 5.973 0 1 HKAF Cc1ccc2nc(Cl)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587707693 WJDVRAXUFRUDFZ-JEOXALJRSA-N 419.725 5.722 0 1 HKAF CCCCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587713276 BXJPEQRFCXVEMY-FKIZINRSSA-N 410.302 5.530 0 1 HKAF CCc1ccc(N2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 587771727 XBZSIQSNXNMLPA-OAHLLOKOSA-N 417.366 5.181 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)c1 587780689 YDBVDYFUENIKPM-UHFFFAOYSA-N 421.338 6.675 0 1 HKAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC(C)C)c1 587791445 JRGRILQRHXKVQC-ODXCJYRJSA-N 408.311 5.008 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccccc2)N1 587812195 ITPJTCIYBGWFFB-WAIKUNEKSA-N 410.330 5.609 0 1 HKAF Cc1ccc([C@@]2(c3ccco3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587825502 ACCVFJUWHKZYMV-OYHNWAKOSA-N 414.318 5.624 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(OC(F)(F)F)cc1 587857055 ZVKWLSPRHVIXGQ-UHFFFAOYSA-N 417.214 6.143 0 1 HKAF COc1ccc2c(c1OC)[C@@](c1cc(Cl)cc(Cl)c1)(C1CC1)N(C)[C@@H](C)C2 962634122 PYVUZQQOUWELQO-XMHCIUCPSA-N 406.353 5.541 0 1 HKAF CCOC(=O)CC[C@@H](C(=O)CC)[C@@]1(CC)NCCc2cccc(-c3ccccc3)c21 962674298 WEJQSGXSSUXSBE-BKMJKUGQSA-N 407.554 5.043 0 1 HKAF COc1ccc([C@H]2NCCc3c(C)ccnc32)cc1COc1cc(C)c(Cl)c(C)c1 963084557 DZZTYLYMBXFHAK-XMMPIXPASA-N 422.956 5.483 0 1 HKAF C[C@@]1(c2ccccc2-c2cccc(C(=O)O)c2)NCCc2c(Cl)cc(Cl)cc21 963116006 BNLBPDHIINKEBD-QHCPKHFHSA-N 412.316 5.768 0 1 HKAF CCCCCCC(C)(C)c1cc(OCCO)c2c(c1)OC(C)(C)c1cn(C)nc1-2 1857573320 TVHNCUSXJIZYGO-UHFFFAOYSA-N 400.563 5.334 0 1 HKAF CC(=O)OCOC(=O)c1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 1857589105 OKJXWSKPKQHVET-UHFFFAOYSA-N 418.474 5.384 0 1 HKAF CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)c(O)c(CC=C(C)C)c1O 1857633383 AMSGEIUDAOVLCX-NRFANRHFSA-N 424.493 5.233 0 1 HKAF COc1c2c(c(OC=C(C)C)c3c1C(=O)[C@H](c1ccc(O)cc1)CO3)OC(C)(C)C=C2 2356308662 MJRXKXSOBJUOFP-SFHVURJKSA-N 422.477 5.246 0 1 HKAF C[C@H]1CCC([C@@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)=NC1 2356548762 DWWGVLXWLZBQTA-ZDAOJPCESA-N 413.646 5.404 0 1 HKAF CC(C=CC=C(C)C=C[C@@]1(O)C(C)(C)CCC[C@]1(C)O)=CC=CC=C(C)C(=O)O 2356632253 YBWOXWSKTIHNHZ-LOSJGSFVSA-N 400.559 5.271 0 1 HKAF CC(=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@H](C)C(C)C 2356737372 NWPUQBNUEHLQTQ-IUMWASOSSA-N 414.718 7.881 0 1 HKAF CO[C@@H](C=C(C)C)C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356809205 AOLZZVBUHJCETR-JWJRZTHOSA-N 414.674 6.934 0 1 HKAF COc1ccccc1Nc1nc(-c2sc(NC(=O)c3ccco3)nc2C)cs1 8579132 MIXJGZWFJUPQJH-UHFFFAOYSA-N 412.496 5.173 0 3 HKAF aggregator C[C@@](O)(c1ccc(F)c(F)c1)c1nc(/C=C/c2ccc(C(F)(F)F)cc2)cs1 61896182 VHHDLHQBPHVMCI-RRGNZLCHSA-N 411.395 5.866 0 3 HKAF CCCCN(C=O)c1c(CC)nc2c(OCc3cc(Cl)cc(Cl)c3)cccn12 61906127 LMUVPGVXHCGINJ-UHFFFAOYSA-N 420.340 5.545 0 3 HKAF COc1ccc(Cc2c(-c3ccccc3)nc3c(C)cc(Br)cn23)c(C)c1 72138435 WBDJEDOBGDCBRT-UHFFFAOYSA-N 421.338 5.980 0 3 HKAF Cn1c(NCc2ccccc2)nc2cnc(Nc3cccc(Oc4ccccc4)c3)cc21 205234997 BZQFHWOFAHWYCB-UHFFFAOYSA-N 421.504 6.116 0 3 HKAF CCn1nc(-c2ccccc2)c2c1N(C)c1ccccc1-n1c(-c3ccccc3)nnc1-2 1856464 WCZMZQJLAATVOR-UHFFFAOYSA-N 418.504 5.566 0 1 HKAF CC(C)c1cc(-c2ccc(F)cc2)c(OC[C@@H]2C[C@@H](O)CC(=O)O2)c(C(C)C)c1 3801035 JMEOINPEUMGNEF-UXHICEINSA-N 400.490 5.185 0 1 HKAF in-vitro CCc1nc2c(-c3ccc(OC)nc3C(F)(F)F)ccnc2n1[C@H](CC)C1CC1 13487159 BIHWAMCSLDLLTO-OAHLLOKOSA-N 404.436 5.444 0 1 HKAF CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)OCC)[C@H]1/C=C/c1ccccc1 26577392 KATXVTYZSYJWKY-XPKOONPISA-N 417.505 5.571 0 1 HKAF CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3cccc(F)c3n2)c1)C(=O)O 28100228 DJGUHTJMEJTYSH-UHFFFAOYSA-N 424.472 5.173 0 1 HKAF O=C(c1cn(CCc2ccccc2)c2ccccc2c1=O)c1cccc2ccccc12 28864811 COORGPWAXQPNSM-UHFFFAOYSA-N 403.481 5.628 0 1 HKAF C[C@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc(C(=O)c2ccc(F)cc2)c1 29404152 ZXEZBERMOMMNEP-JIPXPUAJSA-N 421.600 6.985 0 1 HKAF COc1cc(/C=C/Cc2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1 34230707 UZOKLIQHROZOQA-GUNRCEPCSA-N 400.474 5.628 0 1 HKAF CCCCCC[C@]1(O)c2ccccc2-c2nc(N3CCN(C)CC3)c3ccccc3c21 66078860 YKSARKGHPCBNKQ-MHZLTWQESA-N 415.581 5.173 0 1 HKAF O=C(NCCc1ccccc1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 66136543 SZULYFBYFJPCOP-UHFFFAOYSA-N 424.460 5.514 0 1 HKAF CC(C)[C@H]1CCC2=C3C=C[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]21C 70454221 UIYGWCYYBGLGBF-ZNABNZNXSA-N 408.714 8.974 0 1 HKAF CC(C)N(Cc1ccc2c(c1)C=CC(C)(C)O2)C(=O)c1ccc(Br)cc1 72181502 NFWLQOGOAUVAJG-UHFFFAOYSA-N 414.343 5.684 0 1 HKAF CC1(C)OC(=O)c2c(nn(-c3ccc(Cl)cc3)c2-c2ccc(C(C)(C)C)cc2)O1 73225064 NEFBXXUCJVXIGO-UHFFFAOYSA-N 410.901 5.776 0 1 HKAF O=S1(=O)CCC(/C=C/c2nc3ccc(-c4ccccc4C(F)(F)F)cc3[nH]2)CC1 73334887 BAFBVVDHTDHNLG-VMPITWQZSA-N 420.456 5.087 0 1 HKAF C[C@H](CCC[C@@](C)(O)CO)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 80814680 WYLBDLGJLBJKSV-RNCHBCSGSA-N 418.662 5.476 0 1 HKAF C[C@H]1C[C@H](C)CN(c2ncc(-c3nc4ccccc4s3)c(-c3ccccc3F)n2)C1 82175766 HVMVWXFZUOBERI-HOTGVXAUSA-N 418.541 6.042 0 1 HKAF CCOP(=O)(OCC)[C@@H](Cc1cccc(F)c1)c1sc2ccccc2c1C 84618907 VVBDGFHNEGXLJP-IBGZPJMESA-N 406.459 6.899 0 1 HKAF Cc1c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2ccccc2c1=O 84653327 RLGYIDJKPCUPDL-UHFFFAOYSA-N 411.379 6.194 0 1 HKAF C[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1)c1ccccc1 84689044 HHLFHURRTJLZKP-XMMPIXPASA-N 413.564 7.483 0 1 HKAF Cc1ccc(Oc2ccc(CNC(=O)c3c(Cl)c(C(F)(F)F)nn3C)cc2)cc1 98085041 WMWBRKZTQNSHQB-UHFFFAOYSA-N 423.822 5.123 0 1 HKAF CN1[C@@H]2CC[C@@H]1[C@@H](COC(c1ccccc1)c1ccccc1)[C@H](c1ccc(F)cc1)C2 100995550 KHRLEZKJOSUGEB-LGTXBLIGSA-N 415.552 6.198 0 1 HKAF Cc1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4Cl)CC(O)=C32)o1 103921012 IZKHWUYCBHWLFI-OYLFLEFRSA-N 404.897 6.870 0 1 HKAF Cc1ccc(S(=O)(=O)c2cnc3cc(F)ccc3c2-c2cccc(F)c2)cc1C 115922803 LQFQEJONGUTFJZ-UHFFFAOYSA-N 409.457 5.630 0 1 HKAF CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137579246 KEMRDWDNECVERP-YUYWEABFSA-N 400.647 6.136 0 1 HKAF CN1[C@@H]2CC[C@@H]1[C@@H](c1nc(-c3ccc(Cl)cc3)no1)[C@@H](c1ccc(Cl)cc1)C2 169318218 WIOSJRNBAZNBKL-WTGUMLROSA-N 414.336 5.777 0 1 HKAF O=C(Nc1cccc2[nH]ncc12)N[C@H]1CCC[C@@H](c2ccc(C(F)(F)F)cc2)C1 169704883 AVTYVUMSPWLWRY-ZBFHGGJFSA-N 402.420 5.430 0 1 HKAF Cc1ccc2c(c1)N[C@@H](c1c(F)cccc1Cl)[C@H]1C(=O)C[C@@H](c3ccco3)CC1=N2 169722035 YXSNYFJSTBVWMJ-NDMGQTORSA-N 422.887 6.383 0 1 HKAF CC(C)=CCC[C@]1(C)Oc2c(O)cc3oc(-c4cc(O)cc(O)c4)cc3c2C[C@@H]1O 238782000 OJPLGFVHENPABK-UPVQGACJSA-N 410.466 5.018 0 1 HKAF CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C)C(C)C 255214608 HCXVJBMSMIARIN-KUPQIHGYSA-N 412.702 7.801 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257783878 ZMYBKDLUDWAJSA-ICHHFUSPSA-N 400.691 8.067 0 1 HKAF endogenous,in-man O=C(O)[C@H]1CC[C@H](CNc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)CC1 299827880 OPPYZTDSUHHSDS-RUCARUNLSA-N 405.473 5.253 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1[C@@H](O)C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C 299850548 UYOSSIFSBNNKRC-NWPZPXBVSA-N 420.678 5.410 0 1 HKAF Clc1ccc2c(NCCCNCc3ccc(-c4ccncc4)s3)ccnc2c1 299865845 ODDUBJOGFKPMLW-UHFFFAOYSA-N 408.958 5.604 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(Br)cncc3[nH]2)cc1 586878266 BDRNRKAIPDAHII-UHFFFAOYSA-N 408.255 5.061 0 1 HKAF CC(=O)c1ccc(-c2cccc(-c3nc4cc(F)cc(Br)c4[nH]3)c2)cc1 586880665 PRFRNRYMUVINFO-UHFFFAOYSA-N 409.258 6.001 0 1 HKAF Cc1c(-c2ccc(Cl)c(Cl)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586991805 AQLOGMQDZYPMGS-UHFFFAOYSA-N 404.296 7.037 0 1 HKAF Cc1nc(Br)sc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587012624 ZNMFCSDTPRUDNO-UHFFFAOYSA-N 400.301 5.336 0 1 HKAF CC(C)COc1cc2nc(CNc3ccccc3Cl)[nH]c2cc1Br 587060971 XQFVRQOUMMPBTH-UHFFFAOYSA-N 408.727 5.626 0 1 HKAF Clc1ccccc1OCc1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1 587063635 RFEPDDPDFYWMSJ-UHFFFAOYSA-N 404.684 6.164 0 1 HKAF Clc1cc(Cl)c2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc2c1 587082054 FPUPPKBOPGNLHO-UHFFFAOYSA-N 424.718 7.405 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CCN(C(=O)OC(C)(C)C)CC4)-c1ccccc1C2=O 587096063 DBKNLDUVOOKGPN-UHFFFAOYSA-N 414.505 5.090 0 1 HKAF C[C@H](c1nc2c(Cl)c(Br)cnc2[nH]1)c1ccccc1C(F)(F)F 587098560 SPVFLOUGBCRJOM-ZETCQYMHSA-N 404.617 5.544 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H]1CN(Cc2ccccc2)C[C@H]1C3 587105547 CYXFIHPOGIIBQW-JPYJTQIMSA-N 402.497 5.218 0 1 HKAF O=C(COc1ccccc1-c1nc2ccc3c(c2[nH]1)CCCC3)Nc1ccccc1F 587153807 DRUIISBQZIEKNM-UHFFFAOYSA-N 415.468 5.265 0 1 HKAF Cc1c(F)ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 587178550 FCQZZTHZDJMQKV-UHFFFAOYSA-N 420.147 5.301 0 1 HKAF C[C@@]1(c2cnc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331899 QCJVKPJJHPGFNA-FPOVZHCZSA-N 418.251 5.507 0 1 HKAF Cc1ccccc1N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587337189 BGWMNHUMLYGBQB-DEOSSOPVSA-N 417.480 5.238 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc3ccc(OCC)cc3nc1Cl)CC2=O 587461490 MVLNFYZMKSERHA-NRFANRHFSA-N 411.885 5.652 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)cc(OCc3ccccc3)cc1C)CC2=O 587477747 GMZOAXVULDRIBV-RUZDIDTESA-N 416.517 6.247 0 1 HKAF CCCc1c(O)ccc2c1OC1(CCC(C3CCC4(CC3)OCCO4)CC1)CC2=O 587482159 BXLRFQGJYNLEOQ-UHFFFAOYSA-N 414.542 5.172 0 1 HKAF O=C1C[C@@]2(CCC=C(NNc3ccc(Cl)cc3)C2)Oc2c1ccc1c2CCCC1 587499943 KGWPMBNKLDUNCG-DEOSSOPVSA-N 408.929 5.607 0 1 HKAF CSc1sc(SC)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1CO 587531031 IMKBCTVLNOFLPI-INIZCTEOSA-N 406.594 5.270 0 1 HKAF CC(C)(C)OC(=O)Nc1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 587534934 GJSISORNMHUOBO-QGZVFWFLSA-N 400.500 5.075 0 1 HKAF C[C@@]1(c2ccc(-c3ccc4sccc4c3)o2)CC(=O)c2ccc3c(c2O1)CCCC3 587535402 KNLPWTMYYMVRAW-SANMLTNESA-N 414.526 6.921 0 1 HKAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1Cl 587541143 DDMDPZUPIVUHBH-IERDGZPVSA-N 401.245 5.710 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCC(F)(F)F)c1 587550331 UWNJXPLKTYVNNE-WIYYLYMNSA-N 416.351 5.036 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H](c1ccccc1)c1ccccc12 587605449 ZUPVYQLXGYHRLT-QLADTWODSA-N 420.464 5.785 0 1 HKAF CCc1ccc2oc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 587619810 ZLCLYHVLMDCQNA-RDGATRHJSA-N 400.430 5.578 0 1 HKAF CCOC(=O)c1c(C)[nH]c(-c2[nH]c3ccc([C@H](C)CC)cc3c2C(=O)OCC)c1C 587644178 PAEJQEGLACZMJQ-CYBMUJFWSA-N 410.514 5.647 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)ccc2Cl)N1 587690984 AQOCZRZDASTVCZ-WYRIXSBYSA-N 410.758 6.163 0 1 HKAF COc1cc(Cl)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 587692720 LNYHOTIAKVRZDK-RBHXEPJQSA-N 419.121 5.527 0 1 HKAF CC[C@]1(c2cc(F)c(F)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587712762 AFVHTNCXOKXUHQ-NIVTXAMTSA-N 402.229 5.193 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)c(F)c(F)c(F)c2F)N1 587720133 MRXFFASOAFTAIF-QVHKOIDPSA-N 424.182 5.081 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(N3CCCCC3)c2)N1 587766315 NAZJRMPQSBOALP-SPLOXXLWSA-N 403.339 5.202 0 1 HKAF CCC[C@@H](CC1(c2nc3cccc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781251 GYZQQHOZQIJNTQ-IBGZPJMESA-N 424.972 6.578 0 1 HKAF Brc1nccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587784106 LFINDESXCWOKPN-DHZHZOJOSA-N 406.283 5.470 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)[nH]c2ccccc23)N1 587804659 RXNQOFINTDUMTF-NPMABZOXSA-N 423.329 6.020 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2(c3ccccc3)CCCC2)N1 587814140 GKDQYGXABAXLCV-BTYIYWSLSA-N 402.351 5.850 0 1 HKAF CCCCCCc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587846048 GKBVRBFPQOBWQH-XCLFUZPHSA-N 410.396 6.396 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1cccc(C)c1C 587860492 YKWWDIHTVBXVOD-UHFFFAOYSA-N 420.365 6.118 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCCOc1ccc(Cl)cc1C 587870546 CBQOVXHHLLHQFE-UHFFFAOYSA-N 416.880 5.549 0 1 HKAF COc1cccc(C2(c3nc4c(Br)cnc(Cl)c4[nH]3)CCCC2)c1 587930570 IEMUFQUWLPOMGZ-UHFFFAOYSA-N 406.711 5.243 0 1 HKAF FC(F)(F)Oc1ccc([C@H]2NCCc3cc(-c4ccccc4)ccc32)cc1Cl 962669877 PMNNJRJRNKNDEJ-OAQYLSRUSA-N 403.831 6.141 0 1 HKAF CCOC(=O)CCC[C@]1(c2ccccc2F)NCCc2cccc(-c3ccccc3)c21 962671471 SMKZNLPONYEULI-HHHXNRCGSA-N 417.524 5.615 0 1 HKAF COc1ccccc1[C@]1(CCc2cc(C)cc(C)c2)c2ccsc2CCN1C(N)=O 962707987 JDOKHJHESFVBCQ-RUZDIDTESA-N 420.578 5.187 0 1 HKAF CCCN1[C@H](c2cn(C(=O)OC(C)(C)C)c3cc(C)ccc23)c2ccccc2C[C@H]1C 963240537 KKBZHEKXSQMABX-CLOONOSVSA-N 418.581 6.479 0 1 HKAF COc1ccc(CN=c2[nH]n(C3CCCCC3)c3ccc(C(F)(F)F)cc23)cc1 1857572002 PIBWCJNGVYSCFB-UHFFFAOYSA-N 403.448 5.603 0 1 HKAF Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2c2ccc(-c3ccccn3)cn2)o1 1857766347 GVAYZZUKXHGHLR-SANMLTNESA-N 406.489 5.678 0 1 HKAF C[C@@H]1[C@]2(CC[C@@H](C)CO2)O[C@@H]2C[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@H]3[C@]12C 2356329161 VPLTWAWMSJNNFM-OXMCZOBVSA-N 416.646 5.794 0 1 HKAF CC[C@H](C(C)=Cc1cc(OC)c(OC)cc1OC)c1cc(OC)c(OC)cc1OC 2356487613 GGIJVVURVQQPBB-QGZVFWFLSA-N 416.514 5.335 0 1 HKAF CC(=O)O[C@@H]1C[C@H]2C(C)(C)CC=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](c4ccoc4)CC[C@@H]3[C@]12C 2356522651 OIYMSAOAFKGCMV-BKQBLLDWSA-N 424.625 7.140 0 1 HKAF CC(=O)OCC1=CCC[C@@H]2[C@]1(COC(C)=O)CC[C@H](C)[C@@]2(C)CCc1ccoc1 2356610484 MFHNNINMNRCKKL-ZFWPHHPHSA-N 402.531 5.097 0 1 HKAF COC(=O)CCC(=O)OC[C@@H]1CC[C@]2(C)C(C)=CCC[C@@H]2[C@]1(C)CCc1ccoc1 2356617055 OYHUVLDVWBMUEA-KXTAGPOFSA-N 416.558 5.488 0 1 HKAF CC(C)n1ccc2c(C(=O)N3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@@H]43)cccc21 2356747530 BFXPEPYEGLMSDT-SONSGTBOSA-N 417.597 5.257 0 1 HKAF CCCCNc1c(-c2ccc(SC3CCCCC3)c(OC)c2)nc2ccc(C)cn12 61959829 JQOMHMXFBBOXRB-UHFFFAOYSA-N 423.626 6.955 0 3 HKAF COc1ccc(-c2noc(-c3ccsc3)c2C(=O)NCc2ccccc2OC)cc1 774359 LMSOFCARACANDU-UHFFFAOYSA-N 420.490 5.017 0 1 HKAF COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC2CCCCC2)c(OC)c1 776509 IUWCBKFOKZCBNN-UHFFFAOYSA-N 424.472 5.227 0 1 HKAF COc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)oc3ccccc23)cc1Cl 26403357 QKZDFTTXIOTSIK-UHFFFAOYSA-N 412.894 5.832 0 1 HKAF Clc1cccc(CO[C@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 27524857 XKXKWEGCLRZXPJ-SXOMAYOGSA-N 417.980 6.152 0 1 HKAF CCCN(CCC1CC1)C(=O)c1c(CC)nc2n1CCN2c1c(C)cc(C)cc1C 28132414 AZOQHJDSUKZHKB-UHFFFAOYSA-N 408.590 5.175 0 1 HKAF COc1cc2c(cc1OC)[C@H](CC(c1ccccc1)c1ccccc1)N(C(C)=O)CC2 28392974 MYRDIKPCKNULKX-VWLOTQADSA-N 415.533 5.372 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C=C1C[C@H]3O 33821001 PXIFVSWUTGBNSL-JIANBJTOSA-N 418.662 5.330 0 1 HKAF O=C1NC[C@H](c2ccc(F)cc2)C12CCN(C1(c3ccsc3)CCCCC1)CC2 38147572 ZFWIKPCQHDKTBY-OAQYLSRUSA-N 412.574 5.042 0 1 HKAF Fc1ccc2nc(-c3ccc(-c4ccc(CNC[C@H]5CCCO5)cc4)s3)[nH]c2c1 45190916 ZVPIEFZFESHTOE-GOSISDBHSA-N 407.514 5.366 0 1 HKAF CCc1ccc(CN2CC[C@H](CNC(=O)c3cc(-c4cccc(F)c4)cs3)C2)cc1 45202432 UZYXIEKDYANMLH-HXUWFJFHSA-N 422.569 5.369 0 1 HKAF CCCN(CC1CCC1)C(=O)c1c(C)nc2n1CCCN2c1c(C)cc(C)cc1C 49045785 LGAGDAIAGUTWEM-UHFFFAOYSA-N 408.590 5.311 0 1 HKAF CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3csc4ccccc34)cc2Cl)C1 49110236 IDPZADGUBFIRPX-CRICUBBOSA-N 424.009 7.263 0 1 HKAF COc1ccc(CNc2ccc(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)cc2)cc1OC 64549680 LPLYQFGBWIHNGM-VXKWHMMOSA-N 421.924 5.956 0 1 HKAF O=C(O)c1c(-c2ccccc2O)c2cc(Cl)ccc2n1Cc1cc(F)ccc1F 72180087 AAFJTSQRUMQHGX-UHFFFAOYSA-N 413.807 5.692 0 1 HKAF COC(=O)c1cccc(-c2ccc(NC(=O)c3ccc4cc(OC)ccc4c3)cc2)c1 73198262 KITOSZHJNFIMCN-UHFFFAOYSA-N 411.457 5.554 0 1 HKAF Cc1cc(C)c(-n2c(SCC(=O)Nc3ccccc3F)nc3cnccc32)c(C)c1 84741793 XEXQHLAPFJIGPX-UHFFFAOYSA-N 420.513 5.216 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C 86050164 ZQWIMCCBIVTVLN-GQIBPWAUSA-N 400.691 7.779 0 1 HKAF COC(=O)C(C)(C)[C@H](c1ccc(Nc2cc(C)c(OC)c(C)c2)cc1)n1ccnc1 95560080 YIOUDVTUQSYHDS-QFIPXVFZSA-N 407.514 5.041 0 1 HKAF Cc1cccn2c([C@@H]3CC(c4ccc(Cl)cc4)=NN3)c(-c3ccc(F)cc3)nc12 95588605 XCWUHRSBNRXVJW-FQEVSTJZSA-N 404.876 5.541 0 1 HKAF Cc1ccc2occ([C@@H]3Nc4ccccc4N=C4CC(C)(C)CC(O)=C43)c(=O)c2c1 104696242 ASTAKAUSIYVPDQ-QHCPKHFHSA-N 400.478 5.973 0 1 HKAF COc1cncc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)c1 139888269 FHFVIEDTDRRJAN-UHFFFAOYSA-N 422.444 5.052 0 1 HKAF C[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(c5cncc(Cl)c5)=CC[C@H]4[C@@H]3CC[C@@H]2C1 141122446 GHXGGVKSLVDREB-GNXLVORKSA-N 400.006 6.522 0 1 HKAF Cc1nnc(C(=O)C(F)(F)CCCCOc2cccc(OCc3ccccc3)c2)o1 141287327 ADPHXEQIOYQMOE-UHFFFAOYSA-N 416.424 5.024 0 1 HKAF CCCC[S@](=O)c1sc2nc(-c3ccccc3)nc(-c3ccccc3)c2c1N 148059374 GCZFXDLEQAGNAQ-MUUNZHRXSA-N 407.564 5.515 0 1 HKAF C/C=C(\C)[C@H](O)[C@@H](C)/C=C(C)/C=C/C[C@@H](C)/C=C/c1oc(OC)c(CC)c(=O)c1C 169323513 RZWLIPXWCCRKLN-REQGDNPWSA-N 414.586 6.024 0 1 HKAF C[C@H]1CCCC(=O)N[C@H](c2ccccc2)[C@@H](C)CCCC(=O)N[C@@H]1c1ccccc1 169351630 VXISWQYLXNBKND-HKDRDPIHSA-N 406.570 5.328 0 1 HKAF CC1(C)CC(=O)[C@H]2C(=Nc3ccc(Cl)cc3N[C@@H]2c2c(F)cccc2Cl)C1 169722074 YMQXPCUHGBZEHJ-WOJBJXKFSA-N 405.300 6.377 0 1 HKAF COc1ccc([C@@H]2CC(c3ccc(Cl)c(Cl)c3)=NN2c2nc(O)cs2)cc1 169728184 HDQSJHOEXWRDTA-KRWDZBQOSA-N 420.321 5.520 0 1 HKAF C/C(=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](C)C(C)C 255233806 MGWRVECYAHBEFQ-RFYSNXJQSA-N 412.702 7.801 0 1 HKAF CC(C)(C)c1cc(=NC(=O)Nc2ccc(-c3cn4cc(C5CC5)ccc4n3)cc2)[nH]o1 473105428 SIGQIDWAQFFEOZ-UHFFFAOYSA-N 415.497 5.230 0 1 HKAF FC(F)(F)Sc1ccc2nc(-c3cc(Br)ccc3Cl)[nH]c2c1 586980115 JMMBLZDXEJMHHG-UHFFFAOYSA-N 407.642 6.258 0 1 HKAF Fc1c(Br)cc2nc(-c3cc(Br)ccc3Cl)[nH]c2c1F 586980374 QMSPGENKFTYSDA-UHFFFAOYSA-N 422.454 5.687 0 1 HKAF O=C1c2ccccc2-c2cc(-c3c(F)cccc3Br)nc3ccc(O)c1c23 586987548 YPLCNSSAKZNXAM-UHFFFAOYSA-N 420.237 5.720 0 1 HKAF CCCCCCc1c(-c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586992042 SZVBWODUYKHPAE-UHFFFAOYSA-N 407.513 6.942 0 1 HKAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(C)c(C)c3[nH]2)c1 587048540 JVBYYOSBXBRJEG-ZHACJKMWSA-N 410.905 5.224 0 1 HKAF Fc1cc2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc2cc1Br 587062140 CHETXPUOUJTNBT-UHFFFAOYSA-N 415.693 6.376 0 1 HKAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)cc(Br)c2[nH]1 587112443 HHXMEVHYEZANHA-LBPRGKRZSA-N 418.644 5.240 0 1 HKAF Fc1cc2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc2cc1Br 587124241 KARCGHZGJJSXNE-UTCJRWHESA-N 417.225 6.247 0 1 HKAF Cc1cc(Br)c(-c2nc3c(Cl)c(Br)cnc3[nH]2)cc1F 587138141 XHCPAXAIRLKVPU-UHFFFAOYSA-N 419.479 5.251 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c(Cl)c2)cc1F 587145098 HNGNCXLVGONLDR-UHFFFAOYSA-N 407.222 6.929 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1F 587150069 KANXBHKSVVPQGC-IBGZPJMESA-N 416.330 5.331 0 1 HKAF Cc1cc(Cl)cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587159367 NMPPPWGFVDYTJT-HXUWFJFHSA-N 401.268 6.486 0 1 HKAF CN(CCc1nc2ccc(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587193213 FPKOUIRVLUJGLG-UHFFFAOYSA-N 415.468 5.125 0 1 HKAF Nc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1-2 587332242 FQKWOFGLHYGNSZ-VPUSJEBWSA-N 423.443 5.397 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccccn2)(C2CCCC2)[C@H]1c1ccc(F)cc1 587342135 ZAOVEDSWHHFLEB-UKILVPOCSA-N 403.453 5.371 0 1 HKAF CCOC(=O)c1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 587362252 HUVXDWPXENXZMQ-UHFFFAOYSA-N 423.468 6.500 0 1 HKAF COc1cccc(-c2cc(-c3ccc4oc(N)nc4c3)nc3c2oc2ccccc23)c1 587363517 SSFRGXPLMOVCHF-UHFFFAOYSA-N 407.429 6.047 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccccc2[C@@H]3C(=O)O)c1 587366982 SQTXKWSDDSNOGA-NRFANRHFSA-N 407.425 5.854 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccccc3Br)s1)O2 587410473 NKCLFJHEZBBVHQ-QGZVFWFLSA-N 414.324 5.775 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(Cl)ccc21 587463237 UDXQDMOOUDFFCL-VWLOTQADSA-N 418.876 5.452 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1ccccc1C(=O)O)CC2=O 587466528 LUSOPLSTRFMXSZ-RUZDIDTESA-N 420.436 5.091 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(-c3ccccc3)c1)CC2=O 587481222 QDCOREILTXCXOZ-AREMUKBSSA-N 402.490 5.901 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc(C(C)(C)C)cc1)CC2=O 587482539 PBWKRVIHXNMYQI-RUZDIDTESA-N 410.510 5.066 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C)cc1OCc1ccccc1)CC2=O 587484249 ZGNDXHBZWISSCA-HHHXNRCGSA-N 416.517 6.113 0 1 HKAF COc1c(C)cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587546306 QEUYSTUHXGMFIJ-AUSIDOKSSA-N 410.853 5.240 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C1CCCCC1 587604604 XHLIDBMMQUTHGC-ZEQKJWHPSA-N 400.474 5.830 0 1 HKAF Cc1ccc(-c2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)o1 587610679 GNOPMCVYYOSICY-RXVVDRJESA-N 405.431 5.120 0 1 HKAF CC(C)(O)CCCC1=CC[C@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587612411 UYSVOSKXDCJWBS-KDSXSNECSA-N 422.521 5.390 0 1 HKAF CSc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 587613608 OCKDVXMWOLMGMX-SIKLNZKXSA-N 412.894 5.645 0 1 HKAF CCc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2ccccc12 587618918 VNJZMAIHSXYPJT-OFVILXPXSA-N 400.430 5.578 0 1 HKAF CCOc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccc(Cl)cc2)cc1 587627845 DHAMEVSPNBZWSE-UHFFFAOYSA-N 400.280 7.347 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=Cc3cc(Cl)ccc3OC2)N1 587695061 ICDHJOMHQKIULI-GIGQVBGESA-N 408.698 5.293 0 1 HKAF CCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587697304 SMMUKQCRYBUGDP-WLRWDXFRSA-N 412.730 5.654 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)ccc(F)c2Cl)N1 587720237 MZISPBHSILQQSJ-WNWIJWBNSA-N 421.112 5.832 0 1 HKAF CCCOc1ccccc1C(=O)n1nc(-c2cc(Cl)ccc2Cl)cc1OCC 587859214 SOMVRJYCPFPFQC-UHFFFAOYSA-N 419.308 5.733 0 1 HKAF COc1cccc(-c2cc(O)cc(-c3nc4cc(C)cc(Br)c4[nH]3)c2)c1 587931541 AKFUAUZOICTCDI-UHFFFAOYSA-N 409.283 5.682 0 1 HKAF CC[C@@]1(CC(=O)Oc2cccc(OC)c2)c2ccsc2CCN1Cc1ccco1 962706333 LVQSUDIPVXNPPU-HSZRJFAPSA-N 411.523 5.009 0 1 HKAF COc1ccc2c(c1)[C@H](c1ccc(-c3ccc4c(c3)OCCCO4)cc1)N[C@H]1CC[C@H]21 962991699 DZGQWOGLXXNKDP-SHQBLQIYSA-N 413.517 5.462 0 1 HKAF FC(F)Sc1ccc2c(c1)CCC[C@]21NCCc2c(Cl)cc(Cl)cc21 963107196 MBUDTAVWIDSDQI-IBGZPJMESA-N 400.321 6.034 0 1 HKAF CC(C)(C)[C@]1(CCCC(=O)O)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963831344 FTDYUSOHBPFCGP-AREMUKBSSA-N 420.553 5.389 0 1 HKAF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(c5cnccc5C)=CC=C4[C@@H]3CC[C@@H]2C1 1772587232 BYBHOWIXUZDBHC-XYZFIOBHSA-N 405.582 6.278 0 1 HKAF CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](c3ccsc3)Nc3c(ccc4c3CCCC4)[C@@H]21 1857548338 ATUTZHATDPRXMJ-KJXAQDMKSA-N 424.610 6.482 0 1 HKAF Cc1cccc([C@@H](C)N=c2[nH]c(C)nc3cc(C)c(C4CCN(C(C)C)CC4)cc23)c1 1857599314 YJRHEKNYTPWINT-HXUWFJFHSA-N 416.613 5.738 0 1 HKAF C[C@@](O)(CSc1ccccc1C(F)(F)F)C(=O)Nc1ccc(C(F)(F)F)cc1 1857600875 HRQISVWTGGMPCL-MRXNPFEDSA-N 423.378 5.206 0 1 HKAF O=C1Nc2ccc(Br)cc2C1=C(c1ccccc1)c1nc2ccccc2[nH]1 1857624505 WZKZZKWFFLVCIE-UHFFFAOYSA-N 416.278 5.237 0 1 HKAF C=CC(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(C)c(Cl)c3)cc2)cn1 1857633600 UVHLKFVTSZBBCD-UHFFFAOYSA-N 406.873 5.479 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356376368 QZTNWQQTEVRSMC-RBLXNFBBSA-N 416.690 6.606 0 1 HKAF CC(=C[C@@H](O)CC(C)=CCc1cc(O)cc(C)c1O)CCC=C(C)Cc1cc(C)co1 2356469825 BWWUGYWTYAYXJO-XMMPIXPASA-N 424.581 6.463 0 1 HKAF CCOc1cc(-c2ccc(O)cc2)cc(=Nc2cccc(OC)c2)c2c(C)oc(C)c12 2356730195 NTIPXCFJTZJCHK-UHFFFAOYSA-N 415.489 6.062 0 1 HKAF CCOc1cc(-c2sc(Nc3ccccc3)n[n+]2-c2ccc(F)cc2)ccc1OC 15936847 SDEPLNSTJRAJGO-UHFFFAOYSA-N 422.505 5.377 0 3 HKAF Cc1c(F)c(Oc2ccc(-n3ccnc3)cc2)nc(Oc2ccc3c(c2)OCO3)c1F 593134 CMSNMPXPGHEGBH-UHFFFAOYSA-N 423.375 5.167 0 1 HKAF O=C(NC1CCCC1)c1c(-c2ccccc2F)noc1-c1cccc2ccccc12 2482318 HJVWPTGMSDAWMK-UHFFFAOYSA-N 400.453 5.973 0 1 HKAF CC(C)C1=C(c2c[nH]c3ccccc23)[C@@H]2[C@H](C)CC[C@@]3(C)[C@H](C)CC[C@H](O)[C@]23CC1 6031157 LXZADDNPPHIYMD-HUILHLPZSA-N 405.626 7.201 0 1 HKAF COc1cccc(-c2nccc3c(OCc4ccccc4)c(OC)c(OC)cc23)c1 13220665 QJXHEJLNIVHTGG-UHFFFAOYSA-N 401.462 5.507 0 1 HKAF O=C(O)CCc1ccccc1-c1cccc(-c2ccccc2COc2ccccc2)c1 13554032 GKQODGVXWSWQQH-UHFFFAOYSA-N 408.497 6.617 0 1 HKAF O=S(=O)(Nc1ccc2c(/C=C/c3ccc(Cl)cc3)cccc2c1)C(F)(F)F 13560082 PTDROOOLFCRFFH-QPJJXVBHSA-N 411.832 5.925 0 1 HKAF O=C(O)CC/C=C\C[C@H]1CO[C@H](c2ccc(Cl)cc2Cl)O[C@@H]1c1cccnc1 27762013 XDZGJTGQHCYFCC-WYCODDFCSA-N 422.308 5.602 0 1 HKAF Cc1c(OCCCCOc2ccc3ccc(=O)oc3c2)ccc(C(=O)CC(C)C)c1O 28523695 NBPPGKVCXHKGCL-UHFFFAOYSA-N 424.493 5.274 0 1 HKAF Cn1cncc1[C@](O)(c1ccccc1)c1ccc2ccn(-c3cccc(Cl)c3)c2c1 28524228 YDTKMDKWRXTVCZ-VWLOTQADSA-N 413.908 5.302 0 1 HKAF C/C=C/[C@H]1OC2(CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O[C@@H]1/C=C/C 28524963 AEEVMTOUTDXBNY-VUKAXSINSA-N 420.528 5.774 0 1 HKAF O=C(c1ccccc1)N1N=C(c2ccc(-c3ccccc3)cc2)C[C@@H]1c1ccccc1 29128861 KFIGZKHHGVSRGC-HHHXNRCGSA-N 402.497 6.345 0 1 HKAF O=C1N[C@@](c2ccccc2)(C2CCCCC2)CN1C1CCN(Cc2ccccc2)CC1 34802195 SVBGOQXKSXKHJQ-MHZLTWQESA-N 417.597 5.152 0 1 HKAF C/C=C\c1cc(=O)oc2c(CCC)c(OCc3ccc(C(=O)O)cc3OC)ccc12 40720093 STGVYIUCXYJOMF-XQRVVYSFSA-N 408.450 5.064 0 1 HKAF CC[C@@]1(c2cccs2)OCC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21 42878682 UTJRUJPGOSPLLL-OAQYLSRUSA-N 401.890 5.830 0 1 HKAF Cc1ccc(-c2nc3sc(C)cn3c2/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1 42887329 YPKICSODRGDPKQ-LICLKQGHSA-N 405.910 5.826 0 1 HKAF CC(C)[C@H]1CCSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1 43100645 IEXSJLCCIZOOLJ-GOSISDBHSA-N 410.612 5.880 0 1 HKAF CC(C)c1ccc(CNC[C@@H]2CCC[C@@H](CNCc3ccc(C(C)C)cc3)C2)cc1 45358702 ZTGFDUNVXFZGCA-CLJLJLNGSA-N 406.658 6.619 0 1 HKAF O=C(O)CCCC[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 49018135 CXIKGNQQHDCIPP-QHCPKHFHSA-N 414.933 5.551 0 1 HKAF CC(C)c1ccccc1-c1cc2cccc(NC(=O)Nc3ccc(Cl)cc3)c2o1 53226593 PRDOLQMQJKHVJR-UHFFFAOYSA-N 404.897 7.521 0 1 HKAF Cc1cc2c3ccc(Cl)cc3nc(CCc3nc(-c4ccccc4)cn3C)n2n1 66260080 FNXYGJVNWGEWNR-UHFFFAOYSA-N 401.901 5.030 0 1 HKAF CSc1ccc(/C=C2/C=C(CC(=O)NCc3ccccc3)c3cc(F)ccc32)cc1 71277230 DXPXXIRHSZUEBE-MOSHPQCFSA-N 415.533 6.192 0 1 HKAF Cc1cc(Br)ccc1-c1nsc(-c2ccc(Br)cc2C)n1 82158268 YEYAPIZJYAINNX-UHFFFAOYSA-N 424.161 6.014 0 1 HKAF Clc1ccc(-c2ccc(-c3cc(-c4ccc(N5CCNCC5)cc4)on3)o2)cc1 84710096 OXVOXRAOISGECP-UHFFFAOYSA-N 405.885 5.332 0 1 HKAF Clc1ccc(C2=N[C@H](c3ccc(Cl)cc3)c3c(ccc4ccccc34)O2)cc1 84732089 ISAFXRYACJDVPS-HSZRJFAPSA-N 404.296 7.075 0 1 HKAF CCCCCCNC(=O)/C=C/c1c(/C=C/c2ccc(OC)cc2)cc(OC)cc1OC 95590425 IFUPUDHACSOAHJ-JDHQLRNLSA-N 423.553 5.593 0 1 HKAF c1ccc(CN2[C@@H]3CC[C@@H]2CC(CCOC(c2ccccc2)c2ccccc2)C3)cc1 100825417 UOILZIPMBMUBNA-VSGBNLITSA-N 411.589 6.626 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2ccccn2)c1 103258141 FUJVNLYASSNBHW-NRFANRHFSA-N 402.494 5.020 0 1 HKAF CCC[C@@H](Nc1cncc(-c2ccc(OCCCCO)c(OC)c2)n1)c1ccccc1 140902097 XKRTZDFJTBFPED-OAQYLSRUSA-N 421.541 5.257 0 1 HKAF Oc1c([C@H](c2ccccn2)N2CCC(c3ccccc3F)CC2)ccc2cccnc12 144730637 FPIXGCGRSYQZFY-RUZDIDTESA-N 413.496 5.444 0 1 HKAF O=C(Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)Nc1ccc(F)cc1F 146989426 HZUJMAYPJILNGE-UHFFFAOYSA-N 404.380 5.028 0 1 HKAF Cc1ccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1C 147185312 POMCJLIEEWGDBW-UHFFFAOYSA-N 413.951 6.066 0 1 HKAF COC[C@@H](NC(=O)C1CCN([C@H](C)c2cccc3ccccc23)CC1)c1ccccc1 169312110 WOZLZEADGGHBFH-FQRUVTKNSA-N 416.565 5.117 0 1 HKAF O[C@@H](C[C@H]1CCCCN1)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12 169333422 IHPKYBIMUMGNRB-IERDGZPVSA-N 401.337 5.774 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)N1CC=C(c2ncccc2Cl)CC1 169710874 DCDIFSMOVXBCHH-UHFFFAOYSA-N 416.230 5.728 0 1 HKAF CC(=O)NC[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1 253636858 WENHEKPPTKYAGG-RUCARUNLSA-N 423.948 5.134 0 1 HKAF c1ccc(CN2[C@H]3CCCC[C@H]3C3=C([C@@H](c4cccnc4)ON3)[C@H]2c2ccccc2)cc1 254133107 KURMYIOERUOJAA-WKWYISCVSA-N 423.560 5.728 0 1 HKAF CCc1cc2ccccc2n1CCCCSc1nnc(-c2ccc(Cl)cc2)o1 473248390 NODGIESWWFJNHV-UHFFFAOYSA-N 411.958 6.480 0 1 HKAF CC[C@]1(C)C[C@H]1c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 586890940 PXYJBCWHVZNPML-VBKZILBWSA-N 405.395 5.877 0 1 HKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc3ccccc3cc2[nH]1 586981822 FPXIYNQKWBSKOO-LJQANCHMSA-N 407.355 6.851 0 1 HKAF FC(F)(F)c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586985559 OIYYBBTVZBGNIL-KRWDZBQOSA-N 424.264 5.529 0 1 HKAF FC(F)(F)c1cnc2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2c1 587013722 AEODYLPQOBZQHX-UHFFFAOYSA-N 415.227 6.074 0 1 HKAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)s1 587014529 MXNZWOKSWLPHPP-QMMMGPOBSA-N 400.729 5.508 0 1 HKAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccnc(N)c2[nH]1 587019312 XAWQTRAABIYDMJ-UHFFFAOYSA-N 404.326 5.296 0 1 HKAF Clc1ccccc1OCc1ccc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)o1 587065028 RRMZIHJDTSYYEH-UHFFFAOYSA-N 416.864 6.848 0 1 HKAF Fc1cc2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc2cc1Cl 587068990 AVOKVAXIZUSXPH-SFQUDFHCSA-N 411.307 7.182 0 1 HKAF Cc1c(Cl)ccc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc12 587113819 MAVJPUNIPWHJFX-UHFFFAOYSA-N 402.803 7.003 0 1 HKAF CCOC(=O)Cc1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587148530 BNIWQYLNQQSXNA-QHCPKHFHSA-N 422.431 5.115 0 1 HKAF O=C(O)c1cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1F 587159613 QVNHBKZDNONCRQ-LJQANCHMSA-N 414.795 5.361 0 1 HKAF CCCCCCc1nc2cccc3c2c(c1CCCCCCCCCC(=O)OC)CC3 587215072 ZYUVHBLHNHUMHJ-UHFFFAOYSA-N 423.641 7.293 0 1 HKAF Cc1cccc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)c1 587345958 QUYUQAFBVNTGBS-XMMPIXPASA-N 417.480 5.238 0 1 HKAF CC1(C)O[C@H](c2ccccc2)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355673 FOCNSQLXXQUKSS-ZEVJAHDQSA-N 418.464 5.569 0 1 HKAF COc1cccc(-c2cc(-c3ccc(SC)c(F)c3)nc3c2oc2ccccc23)c1 587361098 WATYVMTWTPHBIP-UHFFFAOYSA-N 415.489 7.185 0 1 HKAF COc1cccc(-c2cc(C(C)(C)c3ccc(F)cc3)nc3c2oc2ccccc23)c1 587361129 WRCUQDDBVPXENM-UHFFFAOYSA-N 411.476 7.122 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(CCc3ccc(Cl)cc3)c1C)O2 587379833 XLJLXARBUHFTKC-QHCPKHFHSA-N 408.929 5.598 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4ccc(Cl)cc4OC)cc1)[C@@H](C2)C3=O 587420695 QSBFEOMKLLZNJJ-CPJSRVTESA-N 420.892 5.687 0 1 HKAF COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4nc(Cl)cc(Cl)c41)[C@@H](C2)C3=O 587423657 YMFPKUMAPAVXNZ-LAJNKCICSA-N 404.293 5.012 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1nc3cc(C(F)(F)F)ccc3n1C)CC2=O 587464745 XFEOPAIPKXJPHB-OAQYLSRUSA-N 418.415 5.131 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cc(F)c(F)cc3nc1Cl)CC2=O 587472804 VHLOGRFBFXPJRQ-LJQANCHMSA-N 403.812 5.531 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)cc(CN3CCCC[C@@H]3C)c1C)CC2=O 587476602 QAEUPYRDXKMBDS-QYBDOPJKSA-N 421.581 6.042 0 1 HKAF O=C1C[C@]2(CCc3c(Br)cc(Cl)cc32)Oc2c1ccc1c2CCCC1 587497077 JVERVHICPZDTKC-NRFANRHFSA-N 417.730 5.788 0 1 HKAF O=C1C[C@@]2(CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)Oc2c1ccc1c2CCCC1 587507650 NNUAYXYMBUZJOY-HXOBKFHXSA-N 400.440 6.256 0 1 HKAF Cc1ccc(-c2cccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1Cl 587509585 VIEAEAPUFLBVTR-MHZLTWQESA-N 416.948 7.075 0 1 HKAF COC(=O)c1cncc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c1 587515723 PNXKGTLZTQVXTB-XMMPIXPASA-N 413.473 5.121 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(O)c(Cl)c1 587541504 FIJMTBDIMUALBC-JXFKEZNVSA-N 403.217 5.108 0 1 HKAF C[C@H](c1ccc(C(F)(F)F)cc1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550587 VEPNHARISWGJLC-PXROXKMBSA-N 414.379 5.545 0 1 HKAF C[C@@]1(c2c(F)cccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551202 YICJZEVIWCVGSP-RXVVDRJESA-N 418.342 5.427 0 1 HKAF CCOC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1cc(Cl)ccc1Cl 587623314 FEXMJYFSRZCWFL-UHFFFAOYSA-N 410.684 5.844 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3ccccc3C(F)(F)F)[nH]c12 587624417 LJZYZFMFCNOGMJ-UHFFFAOYSA-N 405.725 6.561 0 1 HKAF CCO[C@@H](C)c1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2N)cc1 587626693 WIPFNLPIGBHGJV-JTQLQIEISA-N 416.365 6.552 0 1 HKAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3F)c(-c3ccccn3)c2c1 587649339 HZCGLCIYUFFHSZ-UHFFFAOYSA-N 400.862 5.093 0 1 HKAF CC(C)C[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587694984 AXHIWEIUMSSBGV-RBZFPXEDSA-N 410.758 6.066 0 1 HKAF Cc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587708809 DSFOIVUBKFNDQI-VXJOIVPMSA-N 408.258 5.298 0 1 HKAF Cc1ccc(OC(F)F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587720372 STUUMAJANCAMHU-BTDLBPIBSA-N 400.238 5.122 0 1 HKAF Cc1ccc(OC(F)F)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587721629 XACQNCATTVQEGE-WYRIXSBYSA-N 414.265 5.296 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccco1 587749787 GBADNRYBZFJEIA-LAJNKCICSA-N 417.322 5.271 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(Cc3ccccc3)C(C)(C)C2)N1 587762962 VWZDTFDEJDYHLG-OYHNWAKOSA-N 417.366 5.002 0 1 HKAF COc1ccc(-c2cccc(-c3nc4ccc(Br)c(C)c4[nH]3)c2)cc1O 587787567 VLIMNJNHMYEERY-UHFFFAOYSA-N 409.283 5.682 0 1 HKAF COc1ccc([C@]2(CCC(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587805904 GQDGUCDFBVOJNC-NYHFZMIOSA-N 420.366 5.811 0 1 HKAF COc1ccc2[nH]c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C)c2c1 587806060 UNAWVDRZEBAEKI-WVDJIFEKSA-N 403.295 5.010 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)-c2ccccc2C3)N1 587816190 VDJKJAINIVZXDX-SHACYNPGSA-N 422.341 5.957 0 1 HKAF Cc1ccc(-c2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 587817267 BBBBHGWOLCDGEK-NPMXOYFQSA-N 410.330 6.187 0 1 HKAF COc1ccc2c(c1)[C@]1(CCCS2)N[C@H](C)Cc2cc(Br)c(F)cc21 587858245 ZYCSEEPVGFLMRC-MPBGBICISA-N 422.363 5.261 0 1 HKAF CC(C)=CCC/C(C)=C\c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587968302 MOHZSDNIDRZGOI-WJDWOHSUSA-N 405.380 6.900 0 1 HKAF O=C(CCCCN1CCC(Cc2ccccc2)CC1)n1c2ccccc2c2ccccc21 653687414 CXBFINMAGLZYJF-UHFFFAOYSA-N 424.588 6.560 0 1 HKAF COC[C@@H](C)Oc1ccc([C@H](CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl 653799726 ZWOHLWADEZHKEZ-UZLBHIALSA-N 412.961 6.342 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@]12CCCC[C@H]2C(=O)c1ccccc1 962398380 NGJROJXMBFOGPG-DHLKQENFSA-N 404.579 5.413 0 1 HKAF Cc1ccc([C@]2(C[C@@H](C)CC(=O)O)c3ccsc3CCN2Cc2ccco2)cc1C 962704052 IFULHRIASATZJO-SSOJOUAXSA-N 423.578 5.761 0 1 HKAF CCCCC[C@]1(CP(=O)(OCC)OCC)c2ccc(F)cc2C[C@@H]2CCCN21 963099635 APVADXXAOVYQHJ-UNMCSNQZSA-N 411.498 5.888 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1ccc(NC2=N[C@@H](CC)CS2)cc1 963241733 NTQCEHDJXFAHJY-DHTSOJEISA-N 407.627 5.900 0 1 HKAF CCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3C4=CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1 1772588297 BQOPLJCXLSVAJY-IHHOYGEBSA-N 403.566 6.280 0 1 HKAF C[C@H]1CN(C(=O)c2sc3ccccc3c2OCc2ccc(F)c(F)c2)C[C@@H](C)O1 1772601534 YRNVUCYFMRQTES-OKILXGFUSA-N 417.477 5.008 0 1 HKAF O=C1[C@@H]2C=CC=C[C@H]2[C@@H](c2ccc(Oc3ccccc3)cc2)N1c1ccc2nc[nH]c2c1 1772608286 CHKREEOQSZISDH-JQYIIUTOSA-N 419.484 5.802 0 1 HKAF Cc1ccc([C@H]2c3ccsc3CCN2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 1857567463 UASRQNQGPSMRKH-FQEVSTJZSA-N 417.361 6.543 0 1 HKAF O=C(Nc1ccc(Cl)cc1)Nc1cccc(N=c2cccc(N3CCCC3)[nH]2)c1 1857647306 PRWIWVOUYIOPPX-UHFFFAOYSA-N 407.905 5.145 0 1 HKAF COc1cc(O)c(-c2c(C)cc(OC)c3c(O)cccc23)c2c1[C@H](C)N(C)[C@@H](C)C2 2356440819 RYURKGJPUKJSGC-GJZGRUSLSA-N 407.510 5.181 0 1 HKAF CC(C)[C@H](C)C=C[C@@H](C)[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1 2356677728 WOPTZWYPTVGOEK-AWILYFTGSA-N 400.691 7.491 0 1 HKAF COc1ccccc1CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccsc1 774829 RKIILWXXALEJQK-UHFFFAOYSA-N 424.909 5.662 0 1 HKAF CC(C)c1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1 775666 GNDNIVKYJFSMEV-NRFANRHFSA-N 420.553 5.096 0 1 HKAF CC(=O)O[C@@H]1[C@H](C)OC(=O)[C@@H]1CCCCCCCCCCCCC1=C[C@H](C)OC1=O 13359012 FXNASNSEMIBZQX-MOXQZVSFSA-N 422.562 5.033 0 1 HKAF biogenic O=C(Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12)C1CCCC1 13489797 GMINMARIXZSRNX-UHFFFAOYSA-N 405.338 5.281 0 1 HKAF CC[C@H]1Cn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc(c32)N1CC1CCC1 13672713 LGRWRBBRELHTQS-INIZCTEOSA-N 415.368 6.112 0 1 HKAF CC1(C)Nc2ccc3c(c2C(C)(C)C1=O)[C@@H](c1ccc(Cl)cc1)Oc1ccccc1-3 13796859 BSNXEAPCSYQIRZ-HSZRJFAPSA-N 417.936 6.540 0 1 HKAF Cc1ccc(-c2ccc3c(c2)CSc2c-3nc3ccc(F)cc3c2C(=O)O)cc1 26841024 XCUZUUILQSNYCW-UHFFFAOYSA-N 401.462 6.320 0 1 HKAF Cc1cc(C)cc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 27527137 PXZTVHCMFSPYCK-VMPREFPWSA-N 411.589 6.115 0 1 HKAF O=C(O)CC/C=C\C[C@H]1CO[C@H](c2ccc3ccccc3c2)O[C@@H]1c1cccnc1 27736216 QILXQJUTHTWRNC-SBNSARLVSA-N 403.478 5.449 0 1 HKAF FC(F)(F)c1cnc(Nc2ccccc2Cl)nc1Nc1ccc2[nH]cnc2c1 28523644 IDDWBHGWDFQKCY-UHFFFAOYSA-N 404.783 5.512 0 1 HKAF Clc1ccc(C[C@@H](Cn2ccnc2)c2ccccc2Br)c(Cl)c1 33493864 UNIOWGGELLSLOW-AWEZNQCLSA-N 410.142 5.979 0 1 HKAF C[C@]12CC[C@H]3[C@@](C)(CC[C@H]4[C@@](C)(C(=O)O)CCC[C@@]43C)[C@@H]1Cc1cc(O)ccc1O2 34319670 SSYYQRHNVQFDDJ-OTUFAOMXSA-N 412.570 5.809 0 1 HKAF CCCc1cc(N)c2cc(NC(=O)C3CCC(c4ccc(Cl)cc4)CC3)ccc2n1 36351740 JUVHCZDPIRYPPQ-UHFFFAOYSA-N 421.972 6.335 0 1 HKAF Oc1c2ccc(-c3ncccc3C(F)(F)F)cc2nn1-c1ccc(C(F)(F)F)cc1 36409947 MNMRKFBGZXBITE-UHFFFAOYSA-N 423.316 5.831 0 1 HKAF CO[C@@H]1OC(=O)C=C1CC/C=C(\C)CC/C=C(\C)CCC1=C(C)CCCC1(C)C 40939918 PFOVLLSEYCTGAF-ZBWGVKGJSA-N 400.603 7.202 0 1 HKAF CCC1=N[C@@H](c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1C(=O)N(CC)CC 72113449 LDXRYBCPRRDKRJ-SFTDATJTSA-N 418.368 6.362 0 1 HKAF CC(C)=CCc1cc2c(cc1O)OC[C@@H]1c3cc(C)c(O)c(CC=C(C)C)c3O[C@H]21 72127800 RBWZJDQLHCNCDG-QFQXNSOFSA-N 406.522 6.033 0 1 HKAF biogenic CCOP(=O)(OCC)[C@@H](Cc1ccccc1F)c1sc2ccccc2c1C 84616173 MTNMJYZTAKIWAW-IBGZPJMESA-N 406.459 6.899 0 1 HKAF O=C(c1ccccc1F)N1CCc2sccc2[C@@H]1c1ccc(C(F)(F)F)cc1 84671144 NALFRRDOUNYSKT-IBGZPJMESA-N 405.416 5.694 0 1 HKAF COc1ccc(-c2ccnc(NC3CCCCCC3)n2)cc1OCc1ccccc1 96937564 YJNXLPLOQBUQGQ-UHFFFAOYSA-N 403.526 5.866 0 1 HKAF CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 103911679 IJIPROUPSDGENI-HSZRJFAPSA-N 423.509 5.490 0 1 HKAF O=S(=O)(c1cc(F)cc(F)c1)c1cnc2cc(F)ccc2c1-c1cccc(F)c1 115917697 QDMJQFCGLZAQPO-UHFFFAOYSA-N 417.383 5.291 0 1 HKAF O=S(=O)(c1cccc(F)c1)c1cnc2cc(F)ccc2c1-c1ccc(Cl)cc1 115922909 IWTQFINXNIKAHV-UHFFFAOYSA-N 415.848 5.666 0 1 HKAF COc1cccc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)n1 139711128 IZRHYFJRJSTIMZ-UHFFFAOYSA-N 422.444 5.052 0 1 HKAF [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(F)c(F)c3)o2)[C@@H](C)O)c(C)c1Cl 146574298 CTOBCNUBEBEEMA-BMLIUANNSA-N 404.804 5.061 0 1 HKAF CCOc1cccc(F)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 167455454 PHWSQDIMXZLFQJ-DYVFJYSZSA-N 411.395 5.233 0 1 HKAF Fc1cc(Nc2ncccc2-c2nnc(Nc3ccc(Cl)cc3)o2)cc(F)c1F 169325164 UOVICLBWZWKQRR-UHFFFAOYSA-N 417.778 5.690 0 1 HKAF COc1ccc(-c2n[nH]c3ncc(-c4ccccc4NCc4ccccc4)cc23)cc1 169329623 BJDMXDXOYFJHSF-UHFFFAOYSA-N 406.489 5.913 0 1 HKAF COc1cccc(-c2cc(N[C@@H](C)c3cccc(-c4cnn(C)c4)c3)nc(C)n2)c1F 205841615 XOWRITXNQVIJBR-HNNXBMFYSA-N 417.488 5.173 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC=C2c1ccnn1-c1ccccc1 253852590 MEYBRQJIPYRMAI-WUIGYTNCSA-N 414.593 6.189 0 1 HKAF CC(=O)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C 255205327 DCBAVUVLEYSTPU-OTHCSMFKSA-N 412.702 8.067 0 1 HKAF Cc1ccc2c(c1)nc(C)n2[C@H]1CC[C@@H](NC[C@H]2Cc3ccc(Cl)cc3C2)CC1 299845058 HNBFYJSHZBDBEP-OFAXGOBFSA-N 407.989 5.795 0 1 HKAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(Br)c(Br)cc3[nH]2)cc1 586892251 WEFBHVNPZBADGN-QFYYESIMSA-N 424.136 5.233 0 1 HKAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)c1C 586946601 AZBPFUODXFBCAL-UHFFFAOYSA-N 411.914 5.301 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(F)cc(Cl)cc2[nH]1 586981506 QDOLEDQJFSMPPQ-UHFFFAOYSA-N 404.670 5.884 0 1 HKAF Cc1c(-c2ccc(C(F)(F)F)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586992156 DYYWJNSMIYLTAR-UHFFFAOYSA-N 403.403 6.749 0 1 HKAF Cc1c(F)ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 587000855 SPCDLIVOTAICMH-UHFFFAOYSA-N 411.278 5.447 0 1 HKAF Clc1cc(Cl)cc(-c2nc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cs2)c1 587015310 LJCNEHBIWROQHL-UHFFFAOYSA-N 415.132 6.967 0 1 HKAF COC(=O)c1cc2nc(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)[nH]c2cc1OC 587030554 HKYCWLWPQKWTTD-ZDUSSCGKSA-N 421.522 5.317 0 1 HKAF COc1cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc(Cl)c1OCC(C)C 587046380 QIUQHZVJWPRKBC-UHFFFAOYSA-N 414.811 5.825 0 1 HKAF O=C1CCc2cc3nc(-c4cc(-c5ccccc5Cl)nc5ccccc45)[nH]c3cc2N1 587060657 RAGKXOFTFMAZIS-UHFFFAOYSA-N 424.891 5.983 0 1 HKAF Nc1ccc(-c2ccc3[nH]c(-c4ccncc4-c4ccc(Cl)cc4)nc3c2)cc1N 587075316 BGDIVNCCAYEWDW-UHFFFAOYSA-N 411.896 5.777 0 1 HKAF Cc1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2cc1Cl 587082367 LVOPPBPOLOOWFT-UHFFFAOYSA-N 404.300 7.060 0 1 HKAF CC(C)(C)c1ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2c1 587092686 WUQTUSPLEAZNNE-UHFFFAOYSA-N 417.353 5.882 0 1 HKAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587113500 LMEPAHOIKNTPSX-LBPRGKRZSA-N 405.367 5.436 0 1 HKAF FC(F)(F)Sc1ccc(/C=C/c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 587126359 YMHCRKFCZOKWAO-XBXARRHUSA-N 419.472 5.177 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)cc2F)c1 587142760 BZWVKNDGMMVIHR-UHFFFAOYSA-N 408.904 6.996 0 1 HKAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 587203280 KJWDTKXWUKUFBY-UHFFFAOYSA-N 406.820 5.012 0 1 HKAF CNc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2)c1 587233758 AGFKHRPFOBIDCB-UHFFFAOYSA-N 401.819 6.611 0 1 HKAF CC(C)COc1cc2nc(-c3cc(N)cc4ccccc34)[nH]c2cc1Br 587252285 VPMWCPUCAIYDMI-UHFFFAOYSA-N 410.315 5.763 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(-c3ccc(Cl)cc3)n3ccccc13)O2 587378362 BNHAIPFZMMMBAD-HXUWFJFHSA-N 403.869 5.252 0 1 HKAF CCOC(=O)c1oc2ccc(CC[C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2c1C 587413114 PXJRLCLCEVUPSD-RUZDIDTESA-N 421.493 5.165 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1ccccc1)[C@@H](C2)C3=O 587433421 XTVWDPCHYBSSSZ-FNZWTVRRSA-N 408.457 5.037 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC(F)(F)F)c(Cl)c1)CC2=O 587463965 DRCKGQNQMICWTE-IBGZPJMESA-N 414.807 5.777 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1ccccc1Cl)CC2=O 587466224 JOBJSBMXPKINLG-DEOSSOPVSA-N 410.872 6.046 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1cccc(C(=O)OC)c1)CC2=O 587478316 IXGYMCDWTBBGQV-DEOSSOPVSA-N 416.473 5.505 0 1 HKAF O=C1C[C@H](c2ccccc2Oc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587500033 LHNBLUBILLCSBZ-XMMPIXPASA-N 404.893 6.718 0 1 HKAF O=C1C[C@H](c2ccc(-n3ccc(C(F)(F)F)n3)cc2)Oc2c1ccc1c2CCCC1 587508720 QEJDIVIUGZBOTK-HXUWFJFHSA-N 412.411 5.476 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)c1C(F)(F)F 587550368 VCCLWESENABRTR-JXFKEZNVSA-N 404.315 5.253 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1ccccc1 587601084 QPYSHOQCLNIYFR-OZXSUGGESA-N 410.425 5.887 0 1 HKAF C[C@]1(c2ccc(-c3ccccc3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611802 JTBUHSFXCULVHA-RCZVLFRGSA-N 414.482 5.998 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1sc3ccccc3c12 587619703 UKFTURCAFQWZJJ-ZJSXRUAMSA-N 400.455 5.410 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(Cl)cc2Cl)N1 587692033 AMTLQJZBVXLCSA-PWJLMRLQSA-N 404.110 5.088 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccc(Cl)c(Cl)c2)N1 587695643 OIQMVORBQKBMTP-MLCYQJTMSA-N 417.149 6.103 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCN(Cc3ccccc3)CC2)N1 587766143 FQKDMJLCCJSPBJ-QRQCRPRQSA-N 417.366 5.076 0 1 HKAF COc1ccccc1C[C@@H]1CCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587811595 WJXLHEHBPWJFLK-AOSWFRPUSA-N 418.350 5.369 0 1 HKAF CSc1ccc2c(c1)CCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587841911 CNQJKVUBVKSTGM-MPBGBICISA-N 406.364 5.424 0 1 HKAF Cc1sc2ccccc2c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587851565 CIAKORJUVVOHDA-YBTHPKLGSA-N 404.348 5.909 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(-c3ccccc3)s2)N1 587853281 MDTUJIIVFQRDJE-YUNKPMOVSA-N 417.347 5.509 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccccc3)cs2)N1 587853485 NLAOBNYAFJJOON-ZMZPIMSZSA-N 403.320 5.335 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2C(c2ccsc2)(c2ccsc2)N1 587855355 VDCIHIXDCNTGIB-LLVKDONJSA-N 408.361 5.537 0 1 HKAF O=C(c1sc2cccc(Cl)c2c1Cl)n1nc2cc1Oc1ccc(F)cc1-2 587875812 JYFCDWLNLXBIDB-UHFFFAOYSA-N 405.237 6.005 0 1 HKAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587926564 ISFOTAYAZHLQBT-IBGZPJMESA-N 400.478 5.353 0 1 HKAF COc1ccc2cc([C@@H](C)c3nc4ccc(SC(F)(F)F)cc4[nH]3)ccc2c1 587934295 IVUYQNQRHXCIEU-GFCCVEGCSA-N 402.441 6.488 0 1 HKAF FC(F)(F)c1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Cl 587954982 DOIRBJCTYSAWMM-MRXNPFEDSA-N 400.831 6.610 0 1 HKAF COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2nc3ccccc3s2)cc1 653731182 AIADZKAHWNNTHS-NRFANRHFSA-N 413.502 5.296 0 1 HKAF COc1ccc2c(c1OC)[C@@]1(CC[C@@H]1C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962682030 UJDMCOARKMGAPQ-FPTDNZKUSA-N 419.443 5.046 0 1 HKAF Cc1ccc(SCC[C@@]2(c3ccc4c(c3)OCO4)NCCc3ccc(O)cc32)cc1 963344121 YUHCYDCXDYJZIC-VWLOTQADSA-N 419.546 5.001 0 1 HKAF CCCCCCN1CC[C@H](CC[C@@H](O)c2ccnc3ccc(OC)cc23)[C@@H](CC)C1 1772570447 XIOSYABBIYIWTR-ISJBWFOZSA-N 412.618 5.985 0 1 HKAF Cc1ccc(NC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5OC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1 1772618045 YAQMSMBEUFHGLI-BJWOPKJYSA-N 409.570 5.498 0 1 HKAF Cn1cc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(Cl)nc2)c2ccccc21 1857652147 WGLJSZOLJDOTLS-QFIPXVFZSA-N 414.896 5.218 0 1 HKAF CN(C)C(=O)c1ccc(OCCCCCC2CCC3(CC2)COC(C)(C)C3)cc1 1857762389 NOJGRWVDPKFOQU-UHFFFAOYSA-N 401.591 5.703 0 1 HKAF Cc1nc2c(O)c(Br)cc(Br)c2cc1C(=O)c1ccccc1 1857764436 VRFRIIJRIIJIFO-UHFFFAOYSA-N 421.088 5.005 0 1 HKAF COc1ccc([C@H]2CCCN2Cc2ccc(Oc3ccc4c(O)noc4c3)cc2)cc1 1911580047 AAEHAPSDVVCWLJ-HSZRJFAPSA-N 416.477 5.671 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(O)=CC[C@]4(C)[C@H]3CC[C@]12C 2356515151 CPTCHGRDJMOIJZ-JGDZSBNCSA-N 400.691 8.406 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2[C@H](OC(=O)C=C(C)C)c3occ(C)c3C[C@]2(C)[C@H]1C 2356528529 YFTBXGVKABIJQN-UJVUDHGPSA-N 414.542 5.625 0 1 HKAF CCOc1ccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)NC2CCCC2)cc1 773918 LNLRABNFCPTPNA-UHFFFAOYSA-N 406.482 5.088 0 1 HKAF Cn1cccc1C(=O)N1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)CC2 3955888 DBPRMNQIOMOTRG-UHFFFAOYSA-N 413.565 5.215 0 1 HKAF CC(C)=CCc1c(O)ccc(O)c1-c1coc2cc3c(c(O)c2c1=O)C=CC(C)(C)O3 5601525 YCRACNDSQDCXLH-UHFFFAOYSA-N 420.461 5.270 0 1 HKAF biogenic CC1(C)c2ccc3c(c2CC[C@H]1O)CC[C@@]1(C)[C@@H]2C[C@](C)(CO)CC[C@]2(C)CC[C@]31C 5963995 RLAPPWNRKMRMFF-FHRWRSIDSA-N 424.669 6.080 0 1 HKAF biogenic,in-vitro COc1cc(O)c(C(=O)CCc2ccccc2)c2c1[C@H]1C[C@H](C(C)C)C=C[C@@]1(C)O2 13308441 HQPBWCKPGXUXIH-LJKQEARRSA-N 406.522 5.683 0 1 HKAF c1ccc(C2=C(c3ccc(OCCN4CCCC4)cc3)c3ccccc3OCC2)cc1 28461246 IXQCKWYSPNHLMB-UHFFFAOYSA-N 411.545 5.903 0 1 HKAF CN1CCC(c2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c2Br)CC1 28477239 UFMHEEILJBSYAZ-UHFFFAOYSA-N 414.322 5.455 0 1 HKAF O=c1c2c3c(sc2nc2sc(-c4cc(Cl)cc(Cl)c4)nn12)CCCC3 28814838 ZAIXYAHSYSYWSJ-UHFFFAOYSA-N 408.335 5.218 0 1 HKAF COc1ccc([C@@H]2C[C@H]2C(=O)O)cc1-c1cc2c(cc1C)C(C)(C)CC(=O)N2C(C)C 28952276 BMAVXZVUHVOIPQ-AZUAARDMSA-N 421.537 5.281 0 1 HKAF CCCc1cc(N)c2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)ccc2n1 38149819 BZLBLJIDXKUVIY-UHFFFAOYSA-N 415.924 6.342 0 1 HKAF COc1cc2c(cc1OC)Sc1nc(C)nc(Nc3ccc4c(c3)CN=N4)c1NC2 40764156 QCJMLYYGRWKDIP-UHFFFAOYSA-N 420.498 5.220 0 1 HKAF O=C(C1CCC1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2Cl)CC1 49049575 NSTSWSVXSSYQCZ-NRFANRHFSA-N 403.353 5.027 0 1 HKAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4N(C=O)CCC(C)(C)C)[C@H]3CC[C@@H]12 58529320 HAPCTYIHYYGVQQ-PHUZURLRSA-N 416.650 5.113 0 1 HKAF Brc1ccc([C@@]2(Cc3ccccc3)c3ccccc3-c3nccn32)nc1 72109706 BDBATQYQFPMXKS-JOCHJYFZSA-N 402.295 5.056 0 1 HKAF CC1(C)C[C@](CCN(CC(=O)c2ccco2)c2ccccc2)(c2ccccc2)CCO1 72109943 MJJNBXSXEWTNJB-HHHXNRCGSA-N 417.549 5.886 0 1 HKAF Clc1ccccc1CN1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 72179537 DFMPQHCLSBPRFQ-UHFFFAOYSA-N 404.901 5.318 0 1 HKAF Cc1cc(O)c(C(C)C)cc1CCC(=O)C[C@H](O)CCCCCCc1ccccc1 82155079 IMKOOPCSBVGNSE-XMMPIXPASA-N 410.598 6.270 0 1 HKAF CC[C@@H]1[C@@H](C)C[C@H]2C(=O)O[C@H](C)[C@H]2[C@H]1/C=C/c1ccc(-c2ccccc2Cl)cn1 84602660 RMCFJOVRINBNGZ-AUIGWNKOSA-N 409.957 6.275 0 1 HKAF CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(Br)c1C 96283507 ZTLYEOJHXYOWEI-UHFFFAOYSA-N 418.338 6.235 0 1 HKAF CC(C)c1cc(C(C)C)c(S(=O)(=O)N2C[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2)c(C(C)C)c1 102399198 UPDRUSLBSAMXRH-HTUUBCJYSA-N 401.616 5.499 0 1 HKAF CNc1ccc(-c2cccc([C@@H](C)C(=O)Nc3ccc(-c4ccnc(C)c4)cc3)c2)cn1 103273503 UJLZJKYJBJOEDJ-LJQANCHMSA-N 422.532 5.903 0 1 HKAF CC(C)[C@H](C)[C@@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118923969 CMQUZVIEHACIBO-DMMBGMPKSA-N 412.702 7.491 0 1 HKAF Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(CCC(=O)O)cc2)c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c1ccc(F)cc1)c1ccc(SCC(=O)c2cc3ccccc3o2)nc1 261189629 YQKVYHIOSVPOTR-UHFFFAOYSA-N 406.438 5.194 0 1 HKAF FC(F)(F)Oc1ccc(O[C@H](CC2CNC2)c2ccc(Cl)c(Cl)c2)cc1 299835357 DOQJYOJZNNPBRY-QGZVFWFLSA-N 406.231 5.622 0 1 HKAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 586892287 WJUSYTJEMXLZNR-DJJJIMSYSA-N 403.320 5.258 0 1 HKAF C[C@@H](SCc1ccccc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586963886 RPBQPSLIVHLWMU-SNVBAGLBSA-N 415.278 6.339 0 1 HKAF Cc1c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c[nH]c1Br 586992608 FAIRSXJTQWNKRX-UHFFFAOYSA-N 403.279 5.821 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1[nH]c3ccc(Cl)cc3c1C4)-c1ccccc1C2=O 586993954 SADAVOCTXYZRDM-UHFFFAOYSA-N 406.872 6.461 0 1 HKAF Cc1ccc(-c2nc(-c3nc4c(Cl)c(Br)cnc4[nH]3)c(C)s2)cc1 587012586 CRUQGAAOXQFDMI-UHFFFAOYSA-N 419.735 5.781 0 1 HKAF Fc1cc(Br)c2[nH]c(-c3nc(Br)sc3C3CC3)nc2c1 587012851 LMFVFSHEWOJJQC-UHFFFAOYSA-N 417.101 5.228 0 1 HKAF FC(F)(F)c1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Cl 587050077 OMSBSFNPMBWLPZ-JGVFFNPUSA-N 405.634 6.813 0 1 HKAF CCOc1cc(/C=C\c2nc3cc(Cl)nc(Cl)c3[nH]2)ccc1OC(F)F 587130465 MSDWVSITSGBGTK-XQRVVYSFSA-N 400.212 5.435 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 587195197 DJUAPEPZJYPCRM-UHFFFAOYSA-N 409.383 5.466 0 1 HKAF CCn1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587342912 QMTVXZDGSBRDRC-AHWVRZQESA-N 415.464 5.780 0 1 HKAF CC[C@]1(c2cc(C)ccc2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348274 GVJCVUKNCIFUAQ-UKILVPOCSA-N 406.453 5.513 0 1 HKAF CC(=O)c1ccc(CCc2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 587404570 FVNPSWYXSOJFQH-MHZLTWQESA-N 413.517 5.446 0 1 HKAF COc1ccc(Sc2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587409837 JQLUIUSUJGJTGW-NRFANRHFSA-N 421.518 5.452 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1cccc(Cl)c1)[C@@H](C2)C3=O 587421136 TXPFWLBRTOJRLO-WMZHIEFXSA-N 411.284 5.693 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCc3ccccc3)cc1)CC2=O 587477412 CCHDYVAKFKLNLN-RUZDIDTESA-N 402.490 5.673 0 1 HKAF O=C1C[C@]2(CCCNc3ccc(Br)cc32)Oc2c1ccc1c2CCCC1 587498050 NRBORKNRGIGKDU-QFIPXVFZSA-N 412.327 5.394 0 1 HKAF O=C1C[C@H](c2cc(Cl)ccc2OC[C@H]2CCCO2)Oc2c1ccc1c2CCCC1 587498193 DBHHFDMEEKFNKU-UZUQRXQVSA-N 412.913 5.483 0 1 HKAF CN(C)/C=C/[C@]1(c2cccc(OC(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587503196 GANQQCAGPNGWBC-JHUUHBRDSA-N 413.464 5.103 0 1 HKAF Cc1cc(CN2CCC(C)CC2)c(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587512969 GZKVHDMPBDPUHE-MHZLTWQESA-N 417.593 6.121 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2)C1 587519015 SXOKTUFJASSFBC-JWQCQUIFSA-N 411.542 5.081 0 1 HKAF Cc1nc(-c2ccccc2Cl)sc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587533918 ZBBJOSYTFTXWOY-DEOSSOPVSA-N 423.965 6.531 0 1 HKAF Cc1cc(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl 587548768 XUISXSOIKJTNFV-UTKZUKDTSA-N 401.245 5.710 0 1 HKAF Cc1[nH]c2c(Cl)cccc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552047 MOMFTOOXNNHGTK-WMZHIEFXSA-N 405.837 5.538 0 1 HKAF CC[C@@]1(c2cc(F)c(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587556275 JCMQPCYHAGJKGD-KNQAVFIVSA-N 400.352 5.077 0 1 HKAF Cc1cc(OC(F)(F)F)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587557229 QTYQBKUQSDLCIR-WIYYLYMNSA-N 416.351 5.302 0 1 HKAF C[C@]1(c2ccc(SC(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557523 SKDOKOKVXKZQFY-PGRDOPGGSA-N 414.429 5.584 0 1 HKAF CCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC 587599587 XZLUBTBVVAIJDE-RCZVLFRGSA-N 420.461 5.067 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1-c1ccsc1 587616540 DLKOHXDWADFLKH-WMZHIEFXSA-N 401.443 5.219 0 1 HKAF CCc1ccc(O)c(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)c2ccc(Cl)cc2)c1 587637837 FNCKIWJBVFEAEP-UHFFFAOYSA-N 419.864 5.686 0 1 HKAF Cc1nn(Cc2c(-c3ccc(Cl)cc3)[nH]c3c(C(=O)O)cccc23)c(C)c1Cl 587637969 HOOGIDGEZUONGF-UHFFFAOYSA-N 414.292 5.702 0 1 HKAF CCn1c2ccccc2c2cc(NC(=O)c3c(C)[nH]c4c(C(=O)O)cccc34)ccc21 587638596 SPNTXHVRQBAURC-UHFFFAOYSA-N 411.461 5.555 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)c(C(=O)OC)c2c1 587640483 APKVPOGLYTYAQR-WBVHZDCISA-N 414.546 5.583 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3cccc(Cl)c3)no2)N1 587698780 JHSOUWFMVDWZPB-OVWNDWIMSA-N 421.697 5.520 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c(F)cccc2F)(C(F)(F)F)N1 587701071 BTSMKAXJYDJITK-ZKANADHPSA-N 424.182 5.207 0 1 HKAF CCCOc1cc2nc(-c3ccc(OC)c(C)c3OC)[nH]c2cc1Br 587788349 YSTXNKXJVIYMLK-UHFFFAOYSA-N 405.292 5.107 0 1 HKAF CC(C)CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587790264 FFIRABQXXFOSIF-QKKBWIMNSA-N 406.339 5.637 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2C(=O)OC(C)(C)C)N1 587793385 NUMPVYGBZNRYEC-BUXKBTBVSA-N 420.322 5.167 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(C)(C)C)[nH]c3ccccc23)N1 587794491 VIUUOQALBQYZIQ-FKIZINRSSA-N 415.350 5.991 0 1 HKAF CCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC 587797573 WDWHWRVREDDIKJ-ZSEKCTLFSA-N 422.338 5.399 0 1 HKAF CC(C)c1ccc2c(c1)[C@]1(CCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587833956 JEDKYCHJJJIUPN-LRTDBIEQSA-N 404.323 5.272 0 1 HKAF Cc1ccsc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587847404 XGLJAGGKPCJUGZ-QKKBWIMNSA-N 416.359 5.784 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C(F)(F)F)ccc1Cl 587860711 DZVJNIAPQYZSAO-UHFFFAOYSA-N 420.740 6.239 0 1 HKAF Nc1cc(Cl)ccc1-c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587922855 HYANOXMLKIBUIP-UHFFFAOYSA-N 419.912 7.000 0 1 HKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 587952730 WGBMXHMNVODWSJ-ICPLQIHGSA-N 422.525 6.188 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]12CCc1ccccc1C2 961748182 IZWBEEYLQPRUEH-AREMUKBSSA-N 404.554 5.222 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1cccc(OC)c1)[C@H](CC)C(=O)OCC 963222748 CLXXEJILSBWEHK-RTGAMMJTSA-N 409.570 5.185 0 1 HKAF CCCc1ccc([C@@]2(CCC3OCCCO3)c3ccccc3C[C@H](C)N2CCC)cc1 963259066 RAJCWUJYGYIKPR-DWACAAAGSA-N 421.625 6.083 0 1 HKAF Cc1cccc2c1[C@H](c1ccc(C(C)C)cc1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963862644 DHAWYLOUDKTDMR-QPPBQGQZSA-N 423.553 5.844 0 1 HKAF COc1c([C@H](CC(C)C)OC(C)=O)ccc2oc3c(C(OC)OC)cc(C)cc3c12 2356570183 ZSIUEMMPNHGBBG-FQEVSTJZSA-N 414.498 5.845 0 1 HKAF C[C@@H](C1=NC[C@](C)(O)CC1)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356648362 YCTLKNVWQFQYLE-HXWYEKIDSA-N 413.646 5.548 0 1 HKAF Cc1ccc2c(c1C)C1=CC[C@@H]3[C@]4(C)CC[C@H](O)[C@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 2356668351 NOMDWAAODUIOPI-STKOZPHTSA-N 422.653 6.235 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C=C[C@@]21C)C(C)C 2356745759 VRLUYJWAEHZDHW-PYYRWUFESA-N 412.702 7.801 0 1 HKAF CC(=O)OCc1cc(O)c2c(c1C=O)O[C@](C)(CCC=C(C)CCC=C(C)C)C=C2 2356867795 WWIDNJFIFUIKER-RUZDIDTESA-N 412.526 5.905 0 1 HKAF CS(=O)(=O)c1ccc(-c2sc(C(F)(F)F)nc2-c2ccc(F)cc2)cc1 836819 SAVMISCIBLZUAE-UHFFFAOYSA-N 401.406 5.039 0 1 HKAF CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccc(C(C)C)cc1 4152671 IKTAOMCICFKRLA-VWNXMTODSA-N 408.542 5.217 0 1 HKAF Cc1c(C)c2c(c([C@@H](CCCCCC(=O)O)c3ccc(F)cc3)c1O)CCCC2=O 13456433 CSYKJFXMLXGRPX-IBGZPJMESA-N 412.501 5.834 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(Cl)cc1)Oc1cc(F)ccc1-3 13777147 FHSXWSTVPUQKCJ-DEOSSOPVSA-N 405.900 7.235 0 1 HKAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)OC3[C@@H](C)CCC[C@@H]3C)CN(C)[C@H]1C2 27519441 WRVDEIUJUYJDJD-NARVHSQRSA-N 422.613 5.550 0 1 HKAF Cc1ccc(S(=O)(=O)n2cc(-c3cc(C(F)(F)F)ccn3)c3ccccc32)cc1 27527110 FCQMGZKVISFWCR-UHFFFAOYSA-N 416.424 5.268 0 1 HKAF O=C(O)COc1ccc(SCc2ccc(OCc3ccccc3)cc2)c2c1CCC2 28822326 XWYVNCGVZFRLFM-UHFFFAOYSA-N 420.530 5.510 0 1 HKAF CCC[C@@H](C)NCc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 28903865 ONDUHIVLSKFFMU-MRXNPFEDSA-N 409.965 5.530 0 1 HKAF O=C(NC1CCC1)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 38939030 HPTXSXBTSFGKJG-WYMLVPIESA-N 409.493 5.154 0 1 HKAF Clc1ccc2c(NCCCCCNCC34CC5CC(CC(C5)C3)C4)ccnc2c1 40835705 TWHGZQVAPPRSRC-UHFFFAOYSA-N 412.021 6.276 0 1 HKAF Cc1cc(C)c2c(c1C)O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2 45357867 ZQJBTZSSRCFVQZ-VDWGHMIBSA-N 414.718 9.135 0 1 HKAF Oc1ccc2c3c(n(Cc4ccc(-c5ccccc5-c5nnn[nH]5)cc4)c2c1)C=CCC3 70718898 TXRLJXXRBUUONI-UHFFFAOYSA-N 419.488 5.202 0 1 HKAF CC(C)C[C@H]1C(=O)N(CC(=O)O)C[C@H](c2ccccc2Cl)c2cc(Cl)ccc21 71330717 ZEIRLQGOSHRPHQ-RTBURBONSA-N 420.336 5.182 0 1 HKAF CCCCc1nc(Cl)c([C@@H]2CC(c3cccc4ccccc34)=NN2C(C)=O)n1C 72112256 OALLQZCGFFWIDR-FQEVSTJZSA-N 408.933 5.267 0 1 HKAF CCCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccccc2F)n1 82159934 JFSQJLUSRGTJBT-MNDZRTMASA-N 424.564 5.295 0 1 HKAF CCCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(F)cc2)n1 82164019 CLBVHHPEDGXIHJ-UHFFFAOYSA-N 404.514 6.285 0 1 HKAF O=C(O)c1cc(C2CC2)ccc1Cc1cnc(-c2ccccc2)c(-c2ccccc2)c1 96173339 MFRPQZDKSUQIHE-UHFFFAOYSA-N 405.497 6.582 0 1 HKAF O=P(O)(O)[C@H](O)c1ccc(-c2cccc(Cc3ccc(Cl)c(Cl)c3)c2)cc1 96284984 LHUDTGAYGOAXLJ-FQEVSTJZSA-N 423.232 5.420 0 1 HKAF Fc1cccc(Cl)c1-c1nc2ccn(Cc3ccc(OC(F)(F)F)cc3)cc-2n1 100068547 AIYICFVMZGEPGA-UHFFFAOYSA-N 421.781 5.789 0 1 HKAF O[C@@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2c1ccc1ccccc12 101185531 UNGWGGUPRUDQFM-MOOYMSSBSA-N 417.936 6.254 0 1 HKAF Cn1c(-c2ccc3ncn(Cc4ccc(-c5ccccc5)cc4)c3c2)nc2ccccc21 103279095 NGACEHLABIFECX-UHFFFAOYSA-N 414.512 6.305 0 1 HKAF OC1=C2C(=Nc3nc4ccccc4n3[C@H]2c2cccc(F)c2Br)CCC1 103539408 XAOBRSIIQJXPIO-IBGZPJMESA-N 412.262 5.609 0 1 HKAF COc1cc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)ccc1O 103934962 ULOVYQGZAULFDT-DWXRJYCRSA-N 412.489 6.030 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 118913812 CIBAPVLFORANSS-OBOJVYGLSA-N 414.630 6.002 0 1 HKAF in-vitro Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(Oc2ccccc2)n1 144351710 IYXFCPLUYBXEMC-UHFFFAOYSA-N 413.452 5.885 0 1 HKAF COc1ccc(C(=O)[C@@H]2C[C@H]2CN2CC=C(c3c(C)[nH]c4ccccc34)CC2)cc1 169295759 ZIBUAIDTTBQCKB-NZQKXSOJSA-N 400.522 5.093 0 1 HKAF S=C(OC1CCCCC1)S[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 169322116 UNVAXJSXAKADJK-QGZVFWFLSA-N 415.411 6.299 0 1 HKAF CCCCC[C@@H](C)[C@H](C)c1cc(OCC2CC2)c2c(c1)OC(C)(C)c1ccncc1-2 169347739 MRLUGCSTUIYFTK-MOPGFXCFSA-N 407.598 7.485 0 1 HKAF CCC[C@@H]1CC(=O)[C@@H]2C(=NC(C)=C(C(=O)OC)[C@@H]2c2ccc(-c3ccccc3)cc2)C1 169728287 DRYQKAWCIABIBK-ATANMQQVSA-N 415.533 5.734 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@@H]1c1ccc(-c2ccccc2)cc1 169728411 CFZAGKUIJPWFLD-DNQXCXABSA-N 401.506 5.344 0 1 HKAF c1ccc(CN2[C@@H](c3ccccc3)C3=C(NO[C@@H]3c3ccccn3)[C@H]3CCCC[C@H]32)cc1 195451787 JJQHRZMERXCEHL-ZNSCEPEASA-N 423.560 5.728 0 1 HKAF O=C(CCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)Nc1ccccc1C(=O)O 473107611 JNNOZANXVMPADB-UHFFFAOYSA-N 413.395 5.642 0 1 HKAF Clc1cc(Cl)c(Br)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 586976483 UUVAEZDNGHPDJE-UHFFFAOYSA-N 414.086 5.461 0 1 HKAF O=C1c2ccccc2-c2cc(CCc3ccc(Cl)c(Cl)c3)nc3ccc(O)c1c23 586985023 DLLYUQBVLYTHPA-UHFFFAOYSA-N 420.295 6.244 0 1 HKAF CCc1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 587000769 QIPNYFCIIODCQE-UHFFFAOYSA-N 407.315 5.562 0 1 HKAF CC(C)CCOc1cc2nc(-c3ccc(O)cc3Cl)[nH]c2cc1Br 587053411 DZEFIPYHJHAIJJ-UHFFFAOYSA-N 409.711 5.776 0 1 HKAF CSc1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 587071457 MRJFJONAEXYHGO-KRWDZBQOSA-N 417.962 5.747 0 1 HKAF Cc1c(-c2nc3cc(F)cc(Br)c3[nH]2)cnn1-c1ccc(Cl)cc1 587076214 QKNJIFSADBXWGB-UHFFFAOYSA-N 405.658 5.279 0 1 HKAF Cc1ccc2c3c(cc([C@@H]4CCCN4C(=O)OC(C)(C)C)nc13)-c1ccccc1C2=O 587099043 YZEKOTGKCYLAOY-NRFANRHFSA-N 414.505 5.827 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]41)-c1ccccc1C2=O 587099063 ZKRQGAWSJKGGLY-QZTJIDSGSA-N 412.489 5.186 0 1 HKAF O=C(NCc1nc2ccc(Oc3ccccc3)cc2[nH]1)c1cccc(C(F)(F)F)c1 587110755 BEHCBKNADFGCDP-UHFFFAOYSA-N 411.383 5.304 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1 587136807 WEXHAMURACXKOZ-UHFFFAOYSA-N 413.221 5.502 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)cc2F)c1 587143671 VTJRRSSXBGDJMM-HXUWFJFHSA-N 410.836 5.422 0 1 HKAF Fc1ccc(-c2cn3c(Cc4nc5cc(F)c(F)c(F)c5[nH]4)csc3n2)cc1 587166508 UZKBGQGLGGSUBG-UHFFFAOYSA-N 402.376 5.086 0 1 HKAF Cc1c(Br)cc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1C 587204597 KSCBBARVUYQZGQ-HNNXBMFYSA-N 424.383 5.424 0 1 HKAF Fc1cc(Oc2ccccc2/C=C/c2cc3c4c(cccc4n2)CC3)ccc1Cl 587210077 DDXNIIQABWPRCI-ZHACJKMWSA-N 401.868 7.089 0 1 HKAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cccc(C(C)(C)C)c3[nH]2)c(O)c1 587240642 MURUZKYGVOCNQB-UHFFFAOYSA-N 413.521 5.723 0 1 HKAF COC(=O)Nc1ccc(-c2nc3cc(Br)c(OCC(C)C)cc3[nH]2)cc1 587243027 BGQIGJJSAIMMQM-UHFFFAOYSA-N 418.291 5.206 0 1 HKAF COc1ccc(Cl)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334530 UZVIMMNBUWTRAL-GGAORHGYSA-N 412.844 5.468 0 1 HKAF COC(=O)[C@H](c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1)C(F)(F)F 587360962 WFUDJRKCLNSULE-SFHVURJKSA-N 415.367 5.476 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccc(C(F)(F)F)cc4)s1)[C@@H](C2)C3=O 587420180 DYQMFNYRXCFPDJ-IFXJQAMLSA-N 417.408 5.326 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1c1ccc(C(F)(F)F)cc1)CC2=O 587464084 IDTKRXDLLJEVJX-GCJKJVERSA-N 404.428 6.035 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccco1)(c1oc3ccccc3c1N)CC2=O 587473352 SJABCDZMCQJNDG-XMMPIXPASA-N 403.434 5.175 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C=O)cc3)cc1OC)CC2=O 587480897 OREOIJNHCQVRQI-RUZDIDTESA-N 416.473 5.539 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3nc4ccccc4s3)o1)CC2=O 587493728 GKRARPNKWPDENE-FQEVSTJZSA-N 405.475 5.921 0 1 HKAF CCC[C@@]1(c2ccc(Br)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587501420 BORKWRIDBKTLEJ-QFIPXVFZSA-N 417.318 6.128 0 1 HKAF Cc1cc2c(cc1C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587529928 SFZXPRIBFNLVAU-MUUNZHRXSA-N 408.497 5.636 0 1 HKAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C(F)(F)F)c1 587546359 JNDSHUSQDYWZNP-NQIIRXRSSA-N 416.351 5.123 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(SC(F)(F)F)c1 587556983 PRGCRQSHVDYWJV-XLIONFOSSA-N 418.392 5.707 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)C[C@]1(CC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589078 NKVQWKGQLHCCQT-OZXSUGGESA-N 411.457 5.071 0 1 HKAF CCOc1cccc(OCC)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592960 BLXUCWUBXHUYMT-DHLKQENFSA-N 420.461 5.067 0 1 HKAF CCc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 587618911 VLAKRDGGKRLSDU-ZEQKJWHPSA-N 412.441 5.918 0 1 HKAF Cc1sc2ccccc2c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619648 UDRJKWWZFJSEMG-ZJSXRUAMSA-N 402.471 5.792 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3ccccc3Cl)c2)N1 587692131 AWDFAZZNHJLQCS-WLRWDXFRSA-N 420.713 5.051 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(Cl)c2Cl)N1 587695113 NBBMBKWSVDMMGU-XLFHBGCDSA-N 403.122 5.693 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc(Cl)ccc3n2C)N1 587695776 JNRUTRANWIKDDY-GIGQVBGESA-N 407.714 5.357 0 1 HKAF CC(C)Oc1ccc(Cl)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587698919 QQKBXAPTTPTDLT-NSPYISDASA-N 412.730 5.652 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2C[C@H]2c2ccccc2Cl)N1 587700551 UUDMGIABVRKFQJ-OOGZCYTASA-N 408.742 5.795 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2C(F)(F)F)N1 587710401 GDPQVPWZSZGPRX-ZKANADHPSA-N 406.192 5.370 0 1 HKAF Cc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC(F)F 587714045 FTDDICWVRMDRRX-HWPZZCPQSA-N 400.238 5.122 0 1 HKAF Cc1cc(C)cc(N2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)c1 587770278 SFDJZQDONJVCRJ-MRXNPFEDSA-N 417.366 5.235 0 1 HKAF CCC[C@H](CC1(c2nc3ccc(F)c(C)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782092 PORTUZTZDUCSBE-HXUWFJFHSA-N 422.544 6.372 0 1 HKAF CC(C)Oc1ccc(CC[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587797284 VZJAXFNSCWWUEE-QKKBWIMNSA-N 406.339 5.584 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccc(-c3ccccc3)cc2)N1 587817466 CFGPTKYUYFSDAY-VOIUYBSRSA-N 424.357 6.463 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC2CCOCC2)(c2ccccc2)N1 587834034 JTSHWYYITLPUJK-QRQCRPRQSA-N 418.350 5.183 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1ccc(C)cc1 587858732 ASADZEBSYSUSHT-UHFFFAOYSA-N 406.338 5.809 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc2c(C)cc(C)c(O)c2n1 587863318 YBUDOGSVRDYOFM-UHFFFAOYSA-N 413.399 5.437 0 1 HKAF COc1cc(OCc2ccccc2)c2cc(-c3cn4nc(SC)sc4n3)oc2c1 653665753 BTNPHFLFPIMROZ-UHFFFAOYSA-N 423.519 5.514 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@]1(CCc1cccc(F)c1)C1CCC1 962397084 JFPSJYQEXRQUCB-VWLOTQADSA-N 408.586 5.912 0 1 HKAF COc1ccc2c(c1OC)[C@@H](c1cccc(OCc3cccc(F)c3)c1)N(C)[C@H](C)C2 962569053 MBLANPLOOHEHNH-CRICUBBOSA-N 421.512 5.388 0 1 HKAF COc1cc2c(cc1OC)[C@@](c1ccc(F)cc1F)(C1CCCC1)N(C)[C@@H](C)C2 962624090 DHCPJWFTKGEAEF-OWJWWREXSA-N 401.497 5.292 0 1 HKAF Cc1cccc([C@@]2(C(C)(C)C)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c1 962708446 ZAYKHTSOQSDEGE-WIYYLYMNSA-N 409.423 5.042 0 1 HKAF COC(=O)c1ccccc1-c1cccc([C@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)c1 963094684 CNMVJEDLAAAHIG-AJTFRIOCSA-N 415.508 5.563 0 1 HKAF FC(F)Oc1ccc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)cc1OC1CCC1 963119677 HCJFYXUKWYJMRB-IBGZPJMESA-N 414.279 5.761 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@]2(c1cccc(Br)c1)C1CCC1 963269501 KAOJJGAQPIBMIC-HXUWFJFHSA-N 406.751 5.301 0 1 HKAF Cc1cccc2c1[C@@]1(C=C(Cl)CCC1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963905520 YBIQRFLEZYMZFM-VGOFRKELSA-N 405.922 5.133 0 1 HKAF N=C(O)n1c(-c2cccc(NC(=O)Nc3ccc(F)c(Cl)c3)c2)cc2ccccc21 1772653248 CAHBZGRVDBXJNQ-UHFFFAOYSA-N 422.847 6.086 0 1 HKAF O=C(Nc1ccc(F)c(-c2nc3cc(-c4ccccc4F)cnc3[nH]2)c1)N1CCCC1 1857584877 UXLIUPBUYDUNDJ-UHFFFAOYSA-N 419.435 5.198 0 1 HKAF CC1(C)CCC[C@@]2(C)Oc3c(O)ccc(CCC(=O)c4ccc(O)cc4O)c3C[C@H]12 2356337442 VPGBLFFVUJEHRV-RCZVLFRGSA-N 410.510 5.139 0 1 HKAF C[C@H]1Oc2c(c3c(c4oc(=O)cc(-c5ccccc5)c24)C=CC(C)(C)O3)C(=O)[C@@H]1C 14768070 JCKXVEVCXNXGQW-ZIAGYGMSSA-N 402.446 5.244 0 1 HKAF biogenic COc1ccc(CCN2CCC[C@H]2COC(c2ccccc2)c2ccccc2)cc1 27198539 VGZSYYKZASZNFO-VWLOTQADSA-N 401.550 5.508 0 1 HKAF COc1cc([C@H]2C[C@@H](OC3CCCCC3)c3cc4c(cc32)OCO4)cc(OC)c1O 28098216 SPILAHSPTWGSLZ-VQIMIIECSA-N 412.482 5.064 0 1 HKAF C/C(=C/c1ccccc1)CN(CCCCCN)C(=O)/C=C/c1c[nH]c2ccccc12 28825925 QXCVARRAVFHMKR-PTAMMSPXSA-N 401.554 5.242 0 1 HKAF CCOC(=O)c1ccc(NCCCCCCCCCC/C=C\c2cccs2)cc1 29204036 SYTXRFDEWPQGBG-KAMYIIQDSA-N 413.627 7.561 0 1 HKAF FC(F)(F)c1cccc(NC(=S)N2CCC[C@@H]2c2ccccc2C(F)(F)F)c1 45289637 KXKVMDYUUZSQNP-MRXNPFEDSA-N 418.406 6.258 0 1 HKAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)C3CCCC3)c2)n1C 64527101 YPFWINVIAQTKEZ-UHFFFAOYSA-N 410.518 5.139 0 1 HKAF Clc1ccccc1-c1cc(-c2cnc(NC3CC3)s2)nc(-c2ccccn2)n1 64539607 PKQKDZRSTCZBIW-UHFFFAOYSA-N 405.914 5.557 0 1 HKAF COc1ccc(Sc2ccc(C)cc2Nc2ncnc3nc(C(C)C)ccc23)cc1 73314042 IXXWJXNCVBAMRA-UHFFFAOYSA-N 416.550 6.360 0 1 HKAF Cc1oc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccco2)nc1-c1ccccc1 82165835 VTMJIFCZRDMYLN-CALCHBBNSA-N 414.509 5.849 0 1 HKAF CCOC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2 95597733 AVVWWKQXUYIACL-UHFFFAOYSA-N 407.416 5.215 0 1 HKAF Clc1ccc2c(Nc3ccc(-c4ccco4)c(CN4CCCC4)c3)ccnc2c1 95604221 RSPICAZTWBLUDW-UHFFFAOYSA-N 403.913 6.488 0 1 HKAF CC1=C(CC/C(C)=C/CC/C(C)=C/C[C@@H](O)C2=CC(=O)OC2)C(C)(C)C(=O)CC1 96921455 AWUVHJURSARGNS-XNSVFUCTSA-N 400.559 5.379 0 1 HKAF CN1CCC(Oc2ccc(-c3cccc(NC(=O)c4ccccc4Cl)c3)cc2)CC1 103242571 QUAXGIYMRMPVJX-UHFFFAOYSA-N 420.940 5.732 0 1 HKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H]1CC[C@H]2[C@H](O1)[C@@H](C)[C@H](C)[C@@H](O)[C@@H]2C 238754930 WIGCFUFOHFEKBI-DVKGBBHASA-N 422.738 7.872 0 1 HKAF Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccco2)sc1C 299876489 FUNYGCWESFUBLP-ZYUBPSHWSA-N 408.571 5.960 0 1 HKAF Brc1ccc(Br)c2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc12 586884546 QTHOLCPDERBQBQ-NOTQWWDFSA-N 410.153 5.556 0 1 HKAF FC(F)(F)c1c(Br)ccc2nc(CCc3cc4ccccc4o3)[nH]c12 586903735 MBJPCNNHAKJLOO-UHFFFAOYSA-N 409.205 5.876 0 1 HKAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc(Cl)c(C)c3[nH]2)cc1 586949162 SDEUIJGHXHODLW-UHFFFAOYSA-N 411.914 5.301 0 1 HKAF C[C@@H](SCc1ccccc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586962353 DGPFSINWPWDQLL-SNVBAGLBSA-N 404.379 6.595 0 1 HKAF Cc1ccc(-n2ccnc2SCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c(C)c1 586966093 DQFGXVVLDHSBKT-UHFFFAOYSA-N 420.435 5.816 0 1 HKAF COc1ccc(Cl)cc1-c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586987084 ZLOUUNGWGQLQGH-UHFFFAOYSA-N 401.849 5.789 0 1 HKAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587043096 OHTIDIXRWRCPCN-AWEZNQCLSA-N 415.799 5.030 0 1 HKAF Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 587047676 AELZSSWXHRJWLC-HOTGVXAUSA-N 409.316 6.720 0 1 HKAF C[C@H](C(=O)O)c1c(-c2ccc(Cl)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587104088 NJMNYRQCJPNNPT-ZDUSSCGKSA-N 413.860 5.955 0 1 HKAF CCOC(=O)C(F)(F)[C@@H]1CCCc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587104516 SOLDYUXGRCZTBY-MRXNPFEDSA-N 407.416 5.065 0 1 HKAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc5ccccc5cc4[nH]3)c(F)c2)c1 587138715 RNWDSWFNBKTBOC-UHFFFAOYSA-N 400.384 6.027 0 1 HKAF CCCCCOc1cc2nc(-c3cc(S)ccc3F)[nH]c2cc1Br 587141552 SWFBZVUSWIWYIK-UHFFFAOYSA-N 409.324 5.989 0 1 HKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 587241463 CUMQNGMTGTXHHD-UHFFFAOYSA-N 420.738 6.021 0 1 HKAF CC(C)(c1ccc(F)cc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332101 IWDWNVROJGBUJZ-RCZVLFRGSA-N 408.444 5.766 0 1 HKAF COc1cccc(-c2cc(-c3ccccc3OC(C)C)nc3c2oc2ccccc23)c1 587364139 XRWFQEQMOTVNJT-UHFFFAOYSA-N 409.485 7.111 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CSCc1ccco1 587408472 GSENYUMHFCORSS-QFIPXVFZSA-N 409.507 5.319 0 1 HKAF COc1cc2c3c(c1)O[C@@](CNc1ccc(Cl)cc1)(c1ccccc1)[C@@H](C2)C3=O 587422930 RGHUOJIZERGEAU-RDPSFJRHSA-N 405.881 5.104 0 1 HKAF O=C1C[C@@]2(CCCC=CCCCCCCCCCC2)Oc2c1ccc1c2CCCC1 587524201 LBNDSUFZQJSKQU-NDEPHWFRSA-N 408.626 7.911 0 1 HKAF COc1ccc(C2(c3ccc(OC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524331 LZYNPVRQEBRXKA-UHFFFAOYSA-N 414.501 5.492 0 1 HKAF C[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543222 IKSAGVYBRMTNMB-GHTZIAJQSA-N 411.251 5.032 0 1 HKAF Cn1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc2cc(Cl)ccc21 587551912 LDEMMENCJIDHMO-NZQKXSOJSA-N 405.837 5.240 0 1 HKAF Cc1onc(-c2ccc(F)cc2)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573714 XACRWWKYSLNNIT-YKSBVNFPSA-N 417.392 5.198 0 1 HKAF CC(C)[C@]1(c2cc3ccccc3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615215 FKUKUYKXANWSEG-WIOPSUGQSA-N 400.430 5.652 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c1sc1ccccc12 587616114 BMLWFWKCDPFUIP-WIOPSUGQSA-N 424.477 6.463 0 1 HKAF Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc2ccccc12 587616746 GLJNYLXAFHMMJQ-RDPSFJRHSA-N 402.471 5.792 0 1 HKAF Fc1cc2c(CC3CCCC3)c(-c3ccc(OC(F)(F)F)cc3)[nH]c2cc1Cl 587630321 YSAUWTHHNRSOFP-UHFFFAOYSA-N 411.826 7.259 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(N3CCC(C(N)=O)CC3)c2c1 587639684 BMBSQXQDENZZNT-HNNXBMFYSA-N 409.961 5.704 0 1 HKAF CCOC(=O)c1[nH]c2ccc([C@H](C)CC)cc2c1C(=O)c1cc(Cl)ccc1Cl 587640236 GMDAKZHFUIOQFK-GFCCVEGCSA-N 418.320 6.396 0 1 HKAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(C(F)(F)F)c2c1 587648809 BDFFRRASJCNJBE-UHFFFAOYSA-N 408.228 5.564 0 1 HKAF Cc1ccc(C)c(NC(=S)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587658960 WWNXJXFLLJZKTK-UHFFFAOYSA-N 421.472 5.204 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(F)cc3)s2)N1 587732885 KTEOITMMVDNGTG-GIPWTMENSA-N 420.322 6.079 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccc(F)cc2)N1 587737313 XABMQFIIOKVTKA-DMZKTXOQSA-N 414.293 6.018 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](Oc3ccccc3)C2(C)C)N1 587806857 BGDJFNXKMANLRG-QKAVXHIFSA-N 404.323 5.195 0 1 HKAF Cc1ccc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 587816081 TYAAOHUFJAZBSM-UPCLLVRISA-N 424.357 6.361 0 1 HKAF CCCC[C@@H]1Cc2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587822959 NRISASAQNHDWNY-WTBBCNCBSA-N 402.351 5.729 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2SC(C)(C)C)N1 587838119 BGVHZNLUVJMPFU-ZSEKCTLFSA-N 422.407 6.277 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC=C2CSc2ccccc2)N1 587845914 OUYDDMBUEGCMRB-SZNDQCEHSA-N 418.375 5.830 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](C)c2nc3ccccc3s2)N1 587859704 YKUWEQWDHNACNT-XAAFQQQXSA-N 419.363 5.751 0 1 HKAF COc1ccc(-c2cc(O)n(CCOc3cc(C)c(Cl)cc3C(C)C)c2O)cc1 587942874 DRXIZGNXOLCNPH-UHFFFAOYSA-N 415.917 5.739 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(CCO)cc2[nH]1 587949172 PRJZUNNGKATMBH-YIGJPRQDSA-N 420.553 5.382 0 1 HKAF FC(F)(F)c1cc2nc(/C=C\c3cccc4ccccc34)[nH]c2cc1Br 587969437 STCPEJDIOJESOP-HJWRWDBZSA-N 417.228 6.668 0 1 HKAF c1ccc(CSc2ncc([C@@H]3NCCc4cccc(-c5ccccc5)c43)cn2)cc1 962663074 FTNGYIZJIPWCLM-VWLOTQADSA-N 409.558 5.671 0 1 HKAF COc1ccc2c(c1)[C@@H](c1[nH]c3ccc(C)cc3c1C)N(Cc1ccc(F)cc1)CC2 963301789 MKZIBSQUYPGKBQ-MHZLTWQESA-N 414.524 6.080 0 1 HKAF COc1ccc(-c2cc(Cl)cc([C@H](CC(=O)O)c3ncc(C)s3)c2)c(OC)c1 1772638890 FNGPNGHMNYTAAV-SFHVURJKSA-N 417.914 5.396 0 1 HKAF CCOC(=O)/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1 1772648749 OOSBWZXAAYRHKV-CNPIGXAUSA-N 414.545 6.227 0 1 HKAF Nc1cccc([C@@H](Cc2cccnc2-c2cc(Cl)cc(Cl)c2)c2cccnc2)n1 1857628045 DNNDYWJRPGRJRR-FQEVSTJZSA-N 421.331 5.802 0 1 HKAF CC(C)C[C@H](C)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 1911586529 DEIOTHKQAGSPIY-BTYIYWSLSA-N 401.348 5.227 0 1 HKAF C[C@@H]1CC[C@H](O)CC1=CC=C1CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CCC(=O)C(C)(C)O 2356555303 QCDBAHGYVQYEGK-XQRYJEPVSA-N 416.646 5.993 0 1 HKAF CC[C@H](C)C(=O)[C@]12C3=C(CC=C(C)C)C[C@H](CC=C(C)C)[C@]1(C)CC[C@H]2C(C)(C)O3 2356556961 UZFXHYXGPYVMSV-BBGOXTBLSA-N 412.658 7.800 0 1 HKAF CC1=CC[C@H]([C@]2(C)CCC[C@]3(C)[C@H](CCc4ccoc4)[C@](C)(O)CC[C@@H]32)OC1=O 2356848764 PIHBWQGVQVWLPT-PMXNBCSESA-N 400.559 5.448 0 1 HKAF CCCCN(CCCC)C[C@H](O)c1cnc2c(Cl)cc(Cl)cc2c1Cl 1555820 MCDGUEHAGZGJCK-KRWDZBQOSA-N 403.781 6.131 0 1 HKAF Cc1c(OCc2ccc(Sc3ccncc3)cc2)ccc(C(=O)CC(C)C)c1O 28361238 DKKGNLLQEOAOHC-UHFFFAOYSA-N 407.535 6.055 0 1 HKAF O=C(CCc1ccccc1)c1ccccc1OCCCCCCCCN1CCCCC1 28636169 ZDWCABHCFJEQGX-UHFFFAOYSA-N 421.625 6.707 0 1 HKAF CCCCCCN(CCCCCSc1nc2ncccc2[nH]1)C(=O)NC(C)C 29417553 MOOWVSMZYMZMOH-UHFFFAOYSA-N 405.612 5.221 0 1 HKAF CN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(C(F)(F)F)cc32)CC1(C)C 36238044 FOLDFBZXQLCLJB-TZIWHRDSSA-N 406.467 5.447 0 1 HKAF O=C(Nc1cccc(-c2ccccc2)c1)[C@H]1CC(=O)N(c2cccc3c2CCCC3)C1 40764422 WMXSNEJGJSVQAK-QFIPXVFZSA-N 410.517 5.224 0 1 HKAF O=C(Nc1ccc(-c2cccc(CN3CCC(O)CC3)c2)cc1)c1cccc(Cl)c1 45167283 XBZADBOPSSJNPW-UHFFFAOYSA-N 420.940 5.216 0 1 HKAF CC(C)C[C@@H](C)NC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 45368400 ZFEDHTPDUDQCFL-ABAIWWIYSA-N 408.386 5.330 0 1 HKAF CN(C)c1ccc(Nc2nc3ccc(Nc4ccccc4C(=O)O)cc3s2)cc1 58538363 QUGKNNHEKZHPBP-UHFFFAOYSA-N 404.495 5.548 0 1 HKAF O=C(c1cc2ccccc2o1)N1N=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 71317551 KOXXYVGUCMTBDR-NRFANRHFSA-N 400.865 6.078 0 1 HKAF C[C@@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccco2)n1 82165433 RRBNISHCKJLVBF-APWZRJJASA-N 416.550 6.518 0 1 HKAF CN(C)C[C@H]1CCc2cc(NC(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2C1 95561675 ZMESIFWTXLNVHD-IBGZPJMESA-N 415.537 5.789 0 1 HKAF Cc1c(CCC(=O)O)c(=O)oc2cc(OCc3cccc(-c4ccccc4)c3)ccc12 95575100 MBOVTVNTQLFZGC-UHFFFAOYSA-N 414.457 5.365 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-n3cccn3)c2)cc(-c2ccc3occ(C)c3c2)n1 142053548 OZAZDOUBWOYHED-KRWDZBQOSA-N 409.493 5.865 0 1 HKAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1ncc(-c2ccccc2)o1 169722345 BKDYXCKSNUIXDC-NHCUHLMSSA-N 423.303 6.324 0 1 HKAF CC(C)(COc1ccc(-c2ccc(-c3ncc(C4CCCCC4)[nH]3)cn2)cc1)C(=O)O 204761073 KQYYCMJQEXHSDT-UHFFFAOYSA-N 419.525 5.676 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255197055 ATSOHKZZFSOWDR-NQELDXPASA-N 416.734 7.961 0 1 HKAF Fc1cc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2cc1Br 587017933 UEIMUOMDFOCSKN-UHFFFAOYSA-N 416.275 5.190 0 1 HKAF Cc1cncc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 587064458 SVSNXZWXGPSWPT-UHFFFAOYSA-N 402.885 5.620 0 1 HKAF Cc1cc(Br)c2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 587074765 YALDNZYAIGRZMZ-KRWDZBQOSA-N 404.739 5.624 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@@H]4c4cccc(F)c4F)[nH]c3c2)cc1 587153005 UQOGUUNCYOESBE-QZTJIDSGSA-N 420.415 5.691 0 1 HKAF CCCOc1cc2nc(C(C)(C)Nc3ccc(OC)cc3)[nH]c2cc1Br 587200860 ASDGFDZCUZVLKB-UHFFFAOYSA-N 418.335 5.470 0 1 HKAF CC[C@]1(c2c(F)ccc(F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332443 LNQRLDGEZVJKIB-XXBNENTESA-N 416.370 5.613 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2Cc2ccccc2)[C@@H]1c1ccc(F)cc1 587353294 ONYHAIGFYZGXLD-WMBPSLEXSA-N 416.492 6.062 0 1 HKAF Cc1ccc2c(c1)OCCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354710 AYOOTQLNLVICSK-NOZRDPDXSA-N 404.437 5.267 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(C(F)(F)F)ccc1C(F)(F)F)[C@@H](C2)C3=O 587418735 CEBYYPMGABNSAY-YVEFUNNKSA-N 402.290 5.222 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccnc1Sc1ccc(Cl)cc1)[C@@H](C2)C3=O 587452219 NEWUIXDUWIIGAW-UWJYYQICSA-N 409.894 5.384 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](C1(c3cccc(Cl)c3)CCOCC1)CC2=O 587459433 DIPYOEZBIPUGSY-OAQYLSRUSA-N 400.902 5.080 0 1 HKAF CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1ccc(C(F)(F)F)cc1)CC2=O 587464093 IFTSMARFXXHDJX-MLUDITRGSA-N 419.443 5.300 0 1 HKAF CCCCc1nnc(-c2ccc([C@H]3CC(=O)c4ccc(O)c(CCC)c4O3)cc2)o1 587486277 TZHZOPZDBXOEEQ-OAQYLSRUSA-N 406.482 5.444 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1c(C)cc(C)cc1C)CC2=O 587489768 PROQIFLPMBCECY-MHZLTWQESA-N 400.518 6.179 0 1 HKAF O=C1C[C@H](c2ccc(COc3ccccc3Cl)o2)Oc2c1ccc1c2CCCC1 587503969 HPXBCVXXFJPWOJ-HSZRJFAPSA-N 408.881 6.097 0 1 HKAF O=C1C[C@](c2cccnc2)(c2c(F)cc(F)cc2F)Oc2c1ccc1c2CCCC1 587505700 MKTOEAIWRAVRNJ-DEOSSOPVSA-N 409.407 5.287 0 1 HKAF O=C1C[C@@](C(=O)c2ccc(F)cc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587506446 SVPQZHFKGXONEP-SANMLTNESA-N 418.439 5.587 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OCc2cccnc2)c1 587516289 VKEAMEZHEIHPQX-VWLOTQADSA-N 415.489 5.255 0 1 HKAF COc1ccc(-c2ccc(O)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 587525523 PLJKUIVJDBRLMY-RUZDIDTESA-N 400.474 5.653 0 1 HKAF O=C1C[C@@]2(CC[C@H](c3ccccc3)c3ccc(O)cc32)Oc2c1ccc1c2CCCC1 587529390 BFPCWYQFSDSJKK-LYZGTLIUSA-N 410.513 6.057 0 1 HKAF C[C@H](C(=O)O)c1ccc(C[C@@H]2CCC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 587531357 ZGBSXYCBMKTSSO-WNLMNSNFSA-N 418.533 5.500 0 1 HKAF O=C1C[C@](c2ccc(-c3ccccc3)cc2)([C@H]2CCCO2)Oc2c1ccc1c2CCCC1 587535109 IPQDSOPKNXSYDU-PXJZQJOASA-N 424.540 6.272 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cnc(Cl)c1Cl 587550472 BFGWISAUSYCMRK-KSSFIOAISA-N 422.651 5.450 0 1 HKAF C[C@@]1(c2ccc(OCCCF)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557288 RIOVHVLSWMNAKT-URXFXBBRSA-N 408.425 5.008 0 1 HKAF Cc1ccc([C@@]2(c3ccccn3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587585474 DIMFCUAHBDNCQY-BVAGGSTKSA-N 409.441 5.001 0 1 HKAF Cc1ccc(C2(c3ccc(C)o3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587617950 RRZBEUTYCRGAAZ-OAQYLSRUSA-N 402.402 5.100 0 1 HKAF Cc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587677847 JDJYKIYQYRAHNH-DYZYQPBXSA-N 413.128 5.283 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCNc3cc(Cl)ccc32)N1 587698527 OOLHVKAXNACUFR-WLRWDXFRSA-N 409.730 5.225 0 1 HKAF CC[C@]1(c2cc(F)c(F)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587718091 MKXUADQCKXEHJU-YYSFKGJASA-N 402.229 5.193 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)cc2N2CCCC2)N1 587726663 KJOBWIIXPBBTPJ-LRTDBIEQSA-N 421.329 5.125 0 1 HKAF CCCCOc1cc2nc(COc3ccccc3OCC)[nH]c2cc1Br 587779672 CGXFRXXEDDIXSM-UHFFFAOYSA-N 419.319 5.482 0 1 HKAF C/C=C/[C@]1(C2=C(C)CCCC2(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587815213 KSHMBCKOWSSKTK-ZYZVHPOOSA-N 406.383 6.420 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)s2)N1 587846172 GYWFGPSHKNMVAZ-UOWDBTKRSA-N 405.130 5.036 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3nccc(Cl)c3s2)N1 587855838 HAIIKEDSPRFCSV-VPTHRUTESA-N 411.727 5.475 0 1 HKAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 587935095 GIYZGIDQJBKKDS-AREMUKBSSA-N 406.485 6.544 0 1 HKAF O=Cc1cc2cc([C@@H]3NC4(CC4)Cc4ccc(Br)cc43)sc2s1 961321501 JXKMMGBOENZOQR-MRXNPFEDSA-N 404.354 5.306 0 1 HKAF Cc1c(F)ccc2c1[C@@](CCc1ccc(Br)cc1)(C1CCCC1)NCC2 962148697 UISVFKAXUHWXOQ-HSZRJFAPSA-N 416.378 6.061 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(COc3ccc(F)cc3Cl)o2)N1 962958996 VHDUMNSIFPYUKZ-OYLFLEFRSA-N 424.903 6.146 0 1 HKAF CCCCCc1ccc([C@]2(c3ncco3)NCCc3c(Cl)cc(Cl)cc32)cc1 963119675 GZXOUUJMHXVSSF-QHCPKHFHSA-N 415.364 6.152 0 1 HKAF COc1ccc(CC[C@]2(c3cc(F)cc(F)c3)NCCc3cccc(Cl)c32)cc1 963391090 PRBXFWMDLYERTI-XMMPIXPASA-N 413.895 5.649 0 1 HKAF COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3c4cc5c(cc4CCN32)OCO5)cc1 1772605274 PEQKFJBUYHZJAN-YIXXDRMTSA-N 424.500 5.150 0 1 HKAF COc1cccc(Cl)c1-c1cc(F)cc([C@H](CC(=O)O)c2ncc(C)s2)c1 1772615211 DTRWQYWPHNOEGR-HNNXBMFYSA-N 405.878 5.526 0 1 HKAF CC=C(C)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CC[C@H](C)CCO)[C@](C)(O)CC[C@@H]21 2356441744 CSXQRUZQGRCJDJ-UGYQOBQDSA-N 408.623 5.268 0 1 HKAF CC(=CCCC1=CC[C@@H]([C@@H]2COC(=O)C2)OC1=O)CCC1=C(C)CCCC1(C)C 2356518495 RRCWZZNUUYHHOI-UNMCSNQZSA-N 400.559 5.825 0 1 HKAF COc1c(C=CC(C)(C)O)cc([C@H]2CC(=O)c3ccc(O)cc3O2)cc1CC=C(C)C 2356539595 SRFNFECUBWLUHV-HSZRJFAPSA-N 422.521 5.400 0 1 HKAF CCC1=C[C@H](C)[C@@H]2C(C)=C[C@](C=C(C)C=Cc3ccccc3)(CC)[C@](C)(C(=O)O)[C@H]12 2356547009 VCBYDJOKOOTWFM-SEJKDBDJSA-N 404.594 7.312 0 1 HKAF C[C@@H](CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O 2356625004 WVXOMPRLWLXFAP-XJEFBKKDSA-N 416.646 6.453 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C(=CCO)[C@H]([C@]3(C)CC[C@H](O)C[C@@H]3O)CC[C@@]21C 2356639908 IQSTZRCIVTWSDM-GQWIBSQVSA-N 420.678 5.722 0 1 HKAF CN[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3CC[C@@H]4C(=CC3=C[C@]12C)CC[C@@H]1N(C)COC[C@@]14C 2356703972 CLOHFGOUJBKJFY-GOUGIKFDSA-N 412.662 5.388 0 1 HKAF C[C@]1(C(=O)Nc2cccc3ccccc23)CCN1C(=O)C1(c2ccccc2)CCCC1 61905761 WSMJTLYCVGGJTF-AREMUKBSSA-N 412.533 5.281 0 3 HKAF CC(C)(C)Cc1c(-c2cccc(Br)c2)nc2ccc(Br)cn12 95600895 WGMGZABLWMDYLX-UHFFFAOYSA-N 422.164 6.115 0 3 HKAF CCOc1cccc(-c2onc(-c3ccccc3Cl)c2C(=O)NCCC(C)C)c1 774912 ICTHZMFMDNXRDE-UHFFFAOYSA-N 412.917 5.837 0 1 HKAF Cc1ccc(C)c(O[C@H](CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 1489530 JRSDTDHTWWDFQP-XMMPIXPASA-N 421.585 5.077 0 1 HKAF CC(C)=CCC[C@]1(C)C=Cc2c(ccc3c2OC[C@@H](c2cc4c(cc2O)OCO4)C3)O1 14614048 CBOJKMZBEYAWFP-HFJWLAOPSA-N 420.505 5.750 0 1 HKAF biogenic Fc1cc(F)cc(CO[C@@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 27547693 HBEGTMOMACFCHB-RRPNLBNLSA-N 419.515 5.776 0 1 HKAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](SCCC)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC 27989973 RYZUEKJBYZVQPP-HZWQJBGFSA-N 424.647 5.490 0 1 HKAF O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1Cc1cccc2ccccc12 28239256 HFVKRGHHAJMOEY-XMMPIXPASA-N 410.904 5.894 0 1 HKAF C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)[C@H](O)CCC(C)(C)O 33820675 CJLCEMXSNQNVPU-FKEYCNNUSA-N 416.646 5.705 0 1 HKAF O=C(c1ccccc1)N1Cc2ccccc2[C@H](c2ccccc2Cl)c2ccccc21 34024168 VVTVSWQIBNGCLW-AREMUKBSSA-N 409.916 6.681 0 1 HKAF COc1c(O)c2c(c(OC)c1OC)O[C@](C)(CC[C@@]1(C)CCC=C(C)[C@H]1C)C=C2 35901292 HPDUVVVFJDKTNM-VILGCMSXSA-N 402.531 5.745 0 1 HKAF biogenic C[C@H](N[C@@H]1CCCC[C@H]1NC(=O)c1cc2ccccc2[nH]1)c1cccc2ccccc12 36476039 SUYCCRXPMQTQEW-PISWEHOVSA-N 411.549 5.713 0 1 HKAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@H](CCc1ccccc1)C3=O 45357918 RZFATQFBCLAZTF-UZVZUNBISA-N 422.609 6.000 0 1 HKAF N#Cc1ccc(Nc2nccc(Oc3ccc4ccccc4c3Br)n2)cc1 59132450 BGCLUGZEAMLZAU-UHFFFAOYSA-N 417.266 5.800 0 1 HKAF COc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)n3Cc2ccccc2)cn1 82083877 BUBPCUNUTGJYRE-UHFFFAOYSA-N 406.489 5.899 0 1 HKAF CCCCCc1nc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2cccc(C)c2)oc1C 82173186 AWLKBURBVPSPIB-FQEVSTJZSA-N 420.557 5.739 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCc3cccc(F)c3)ncnc21 82181441 FGYBKYBYLQFVDO-MRXNPFEDSA-N 419.504 5.299 0 1 HKAF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(Nc4cccc5ccccc45)cc3CC[C@H]21 95601795 YZJYBRNUBUGXCU-BIYCFNCWSA-N 413.561 6.767 0 1 HKAF FC1(c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CCOCC1 143361263 VBYOFWWEQOSKGN-UHFFFAOYSA-N 421.497 6.202 0 1 HKAF CN(c1ccc2c(c1)C(=O)c1ccccc1-2)S(=O)(=O)c1ccc(Cl)cc1Cl 169326010 LWUDAVDXTQAJKT-UHFFFAOYSA-N 418.301 5.030 0 1 HKAF C/C=C(/C)C(=O)O[C@@H]1[C@H](O)C[C@]2(C)[C@@H](CC[C@H](C)CC(=O)O)C(C)=CC[C@H]2C1(C)C 238754472 QHKXHNFSWCFKJN-XMYNCMFHSA-N 420.590 5.135 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1C(=O)CC[C@@]2(C)[C@H]1C[C@H](O)[C@@H]2[C@H](C)/C=C/CC(C)C 238759997 XYOWXSZBIWALDZ-QXWGKTGBSA-N 412.614 5.854 0 1 HKAF CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2cccs2)cc1 299862395 JPCZDDOCROOYQI-OEMFJLHTSA-N 418.606 5.925 0 1 HKAF COc1ccc(-c2nc3sc(C)nn3c2-c2nc3cc(F)c(Cl)cc3[nH]2)cc1 473117375 ZAUNJJUZYRQELX-UHFFFAOYSA-N 413.865 5.111 0 1 HKAF CCOc1cc(/C=C/c2nc3ccc(F)c(C)c3[nH]2)cc(Br)c1OC 586976730 BORCSPIZGQCBOE-VMPITWQZSA-N 405.267 5.351 0 1 HKAF COc1cc(Br)cc(C=O)c1OCc1nc2cccc(C(C)(C)C)c2[nH]1 586980612 YRWNTRAFOISERU-UHFFFAOYSA-N 417.303 5.023 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(Br)ccc4N)nc13)-c1ccccc1C2=O 586994084 TWBDDULHCIFDQI-UHFFFAOYSA-N 415.290 5.766 0 1 HKAF Cc1cnc(Cl)c2[nH]c(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587069505 DTENUNJUONSHBK-YFHOEESVSA-N 410.304 6.323 0 1 HKAF FC(F)(F)c1cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2cc1Cl 587084249 VLXUGXFIDBYIJT-UHFFFAOYSA-N 408.210 6.618 0 1 HKAF Clc1cc2ccc(-c3nc4ccc(I)cc4[nH]3)cc2cn1 587084935 KVRMSQRHHHYVHK-UHFFFAOYSA-N 405.626 5.036 0 1 HKAF CC(=O)N1C[C@H]2Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)-c3cccc1c32 587106878 OCILONFXIUJRGC-OAHLLOKOSA-N 402.453 5.119 0 1 HKAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(C)c(C)cc4[nH]3)cc2)cc1F 587147929 VDBCNCBJNZKKDQ-UHFFFAOYSA-N 401.485 5.326 0 1 HKAF Cc1c(Cl)ccc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c12 587154876 UKCFVKFMFHRTHC-UHFFFAOYSA-N 415.877 5.132 0 1 HKAF Cc1cc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2cc1Br 587163444 PQNXTCUHTBCNRZ-UHFFFAOYSA-N 409.258 5.671 0 1 HKAF Clc1cc(I)cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1 587182291 HBWCMTTYKOQGKF-UHFFFAOYSA-N 423.468 5.795 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587233249 KTHFHLHVDRNYPU-CMPLNLGQSA-N 403.832 5.396 0 1 HKAF Cc1ccc(NC2(c3nc4cc(Br)cc(Cl)c4[nH]3)CCCC2)cc1 587236666 CSMYJQUWVNWZOX-UHFFFAOYSA-N 404.739 6.169 0 1 HKAF C[C@]1(c2c(Cl)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325481 FZBQILSFWKUROL-KNQAVFIVSA-N 417.263 6.112 0 1 HKAF CCC[C@@]1(c2cn(CC)nc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342622 OMPCGCXSFJBHPY-VWNXMTODSA-N 408.473 5.111 0 1 HKAF CCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348788 AUIQSFBCJHPTJD-AHWVRZQESA-N 404.481 6.366 0 1 HKAF COc1cccc(-c2cc(-c3c(F)ccc(C)c3Cl)nc3c2oc2ccccc23)c1 587360098 LGJMZCNOBZUJLO-UHFFFAOYSA-N 417.867 7.425 0 1 HKAF COc1cccc(-c2cc(-c3c(C)nc(O)nc3S)nc3c2oc2ccccc23)c1 587364878 IYCXBLASAIBVGX-UHFFFAOYSA-N 415.474 5.416 0 1 HKAF COc1cccc(-c2cc(-c3cc(C(C)C)ccc3O)nc3c2oc2ccccc23)c1 587365431 HALQIVOZVBRUSO-UHFFFAOYSA-N 409.485 7.153 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C(C)(C)C)nc1-c1ccccc1Cl)O2 587376599 DQSCBUYEFJEXAD-HXUWFJFHSA-N 409.917 5.556 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc4c(c3)OCCCO4)cc1)O2 587411439 JFGVHQFQAGAMOU-QHCPKHFHSA-N 401.462 5.112 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(Br)c1)(c1cccs1)O2 587412652 JVIMYEKRQWXFJR-HXUWFJFHSA-N 414.324 5.310 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccs1)(c1c(N)sc3c1CCCC3)O2 587415154 XVENNMLETYJTIH-QFIPXVFZSA-N 410.564 5.070 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(/C=C/c4ccoc4)oc4ccc(O)cc14)[C@@H](C2)C3=O 587456384 UPXNDOOXPYUCTN-BLRWYHEMSA-N 414.413 5.399 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(Cl)cc21 587463824 YZEYBEZPUNVVBT-VWLOTQADSA-N 418.876 5.452 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(Br)cc1F)CC2=O 587466392 LIANGGHIJLLHJQ-HXUWFJFHSA-N 407.279 5.517 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3oc4cc(N)ccc4c3c1)CC2=O 587473575 XWPDQTCSARUXMO-VWLOTQADSA-N 401.462 5.707 0 1 HKAF O=C1C[C@@H](c2ccnc3c(Br)cccc23)Oc2c1ccc1c2CCCC1 587496577 IQVYEIQOPJSHRW-FQEVSTJZSA-N 408.295 5.583 0 1 HKAF CCOC(=O)c1[nH]c2ccc(F)cc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587506226 JPHQLDPBNUUPQM-HXUWFJFHSA-N 407.441 5.069 0 1 HKAF COc1ccc([C@@]2(CCCCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587528082 ZFJDOKDTDSQRFZ-RUZDIDTESA-N 408.494 5.080 0 1 HKAF O=C1C[C@](c2ccccc2)([C@@H]2CC=CC[C@H]2C(=O)O)Oc2c1ccc1c2CCCC1 587529563 PHLBRKOBGXPPNC-MZEQIWSPSA-N 402.490 5.093 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587531101 JQXNLWARXCQNNP-DEOSSOPVSA-N 423.965 6.531 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1C(F)(F)F 587549558 QWTNFVMNUNOZIA-PXNSSMCTSA-N 404.315 5.253 0 1 HKAF Cc1[nH]c2c(Cl)cccc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552046 MOMFTOOXNNHGTK-CVDCTZTESA-N 405.837 5.538 0 1 HKAF C[C@@]1(c2cc(F)c(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553385 APSKXEVPGZBGHK-NQIIRXRSSA-N 419.235 5.715 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCSc1c(F)ccc(F)c12 587573104 XSAKHJFJVHHQHA-AVRDEDQJSA-N 412.413 5.023 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1ccccc1 587602098 IWZFDWIBPJFPGU-IGKIAQTJSA-N 408.453 5.492 0 1 HKAF Cc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587604636 XPVVCQZVKZVOOR-NAKRPHOHSA-N 422.480 5.914 0 1 HKAF Cc1ccc(C)c(SCc2[nH]c3ccc(F)c(Cl)c3c2-c2ccccc2F)c1 587629268 HKJJVGAAJWJMAI-UHFFFAOYSA-N 413.920 7.676 0 1 HKAF O=C(Nc1ccc2c(c1)OCCO2)c1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 587631128 HEIBRYVRTHCABH-UHFFFAOYSA-N 422.843 5.651 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c(-c3ccccc3Br)c2c1 587639238 PUNHYHLJUZMEOB-QGZVFWFLSA-N 418.378 8.086 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(Cl)ccc3O)c(C(=O)c3cccc(C)c3)c2c1 587641205 LEIZWQQCPWBPHZ-INIZCTEOSA-N 417.936 7.247 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ncccc3F)o2)N1 587726856 LSGAFMCCUNXWKF-MGNBDDOMSA-N 405.242 5.006 0 1 HKAF Cc1ccc([C@@]2(c3cccnc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587773821 KABWPJVXLQEQHL-NYHFZMIOSA-N 411.318 5.118 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(-c3ccccc3)no2)N1 587793864 LWXPCKVNDUGVDF-YUNKPMOVSA-N 401.279 5.041 0 1 HKAF CCC[C@@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 587801491 GZXVSKCAHZQCIT-ASSNKEHSSA-N 401.323 5.647 0 1 HKAF COc1cc2ccccc2cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587805691 FWEVWEGIWYDEJP-GTJPDFRWSA-N 400.291 5.374 0 1 HKAF COc1ccc2c(c1)C(C)(C)C[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587809897 RKXXIWCNZGHNQE-XUSGNXJCSA-N 404.323 5.056 0 1 HKAF Cc1ccc(-c2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 587817265 BBBBHGWOLCDGEK-CMJOXMDJSA-N 410.330 6.187 0 1 HKAF CSc1scc2c1[C@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587852661 MQAPSJQJHHAJOK-MLCYQJTMSA-N 412.393 5.486 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cccc(C(F)(F)F)n1 587856168 SJNDTCHOFOVASL-UHFFFAOYSA-N 402.203 5.659 0 1 HKAF Cc1ccc(OCc2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)cc2)c(C)c1 587873820 OAXOCCAVWNWUJP-UHFFFAOYSA-N 414.436 5.679 0 1 HKAF O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3ccc(-c4ccccc4)cc3)n2c1 653738215 SGBXCVORLKCIIJ-SANMLTNESA-N 421.544 5.097 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccccc2F)([C@H]2CC[C@H](C(=O)O)CC2)N1 962944822 FRTKZCFKWIIUMD-KKNOEWBKSA-N 420.528 5.366 0 1 HKAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@]21C=C[C@H](C(F)(F)F)CC1 962956619 MCLSZIFSORREEE-UGSOOPFHSA-N 405.382 5.081 0 1 HKAF FC(F)(F)[C@@]1(C(Cl)(Cl)Cl)c2ccsc2CCN1Cc1cccnc1 962998797 QGBALAAGSXYDSK-ZDUSSCGKSA-N 415.695 5.329 0 1 HKAF COc1cccc([C@@H]2CCCC[C@@]23c2cccc(Br)c2CCN3C)c1 963269992 NDYWPDGFZYUAAQ-UGKGYDQZSA-N 400.360 5.499 0 1 HKAF Cc1cccc([C@]2(c3ccc(Br)cc3)NCCc3cccc(Cl)c32)c1 963392208 YOWVNEYZPNTWRA-QFIPXVFZSA-N 412.758 5.849 0 1 HKAF CCc1ccc(-c2nc(-c3ccnc(C)c3)c3n2C[C@@H](C)OCC3)cc1OCC1CC1 1772593450 LDGANXQXGRELQE-GOSISDBHSA-N 417.553 5.233 0 1 HKAF Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12 1772622084 KWVWCPSQTVPVMM-UHFFFAOYSA-N 422.286 5.340 0 1 HKAF COc1ccc(C(=O)Nc2nc(-c3ccccc3)cn3cc(-c4ccccc4)nc23)cc1 1772651984 WDWAXYOZVLEGOK-UHFFFAOYSA-N 420.472 5.324 0 1 HKAF CCCCCc1ccc(-c2cc(COc3ccc(F)c(C(N)=O)c3F)on2)cc1 1857649475 ILPWWXYVRXWUCZ-UHFFFAOYSA-N 400.425 5.030 0 1 HKAF COC1=CC2=C(C(C)=N[C@H](C)C2)[C@H](OC)[C@H]1c1c(C)cc2cccc(OC)c2c1O 2356660087 DKQZXYATHVVDTH-NYEJTYJQSA-N 407.510 5.055 0 1 HKAF CC(C)=CC[C@@H]1[C@H](C)[C@H]2CC[C@@]3(C)[C@@]2(C)CC[C@@H]2[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@]123 2356661144 YTAQVWOWAXLMJN-IAOINZEGSA-N 410.730 9.054 0 1 HKAF C[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O 2356695165 VVAOLEXIZKGWNQ-QFADHSFGSA-N 402.619 6.063 0 1 HKAF Cc1ccc(-c2csc(NCCn3c(C)nc4cc(C(F)(F)F)ccc43)n2)cc1 61959559 CWQJXFZNWRPMIF-UHFFFAOYSA-N 416.472 5.908 0 3 HKAF CCCC(CCC)(CNC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 2012931 PYJOUYRYRDHGGG-UHFFFAOYSA-N 408.630 7.593 0 1 HKAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 4080307 GVPRHKGCFZTESR-RPBOFIJWSA-N 421.585 5.343 0 1 HKAF C/C=C/[C@@H](O)P1(=O)N(Cc2ccccc2)[C@@H]2CCCC[C@H]2N1Cc1ccccc1 5833418 SLBARQYLDGYTRZ-MDJUMICCSA-N 410.498 5.403 0 1 HKAF CC(C)CCC1=C(C(=O)O)[C@@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21 13473463 WLUIGKNLTNDKIT-XMMPIXPASA-N 424.493 5.611 0 1 HKAF CC(=O)c1cc(Cc2cccc(-c3c(O)[nH]c4cc(Cl)ccc4c3=O)c2)ccc1O 13775725 TVVQXIPAEIRKGP-UHFFFAOYSA-N 419.864 5.053 0 1 HKAF O=C(/C=C/c1c(C(=O)O)[nH]c(-c2ccccc2)c1-c1ccccc1)Nc1ccccc1 13778851 YRMGNOZMMOQWTI-WUKNDPDISA-N 408.457 5.699 0 1 HKAF CCN1CC=C(c2ccccc2)[C@H](C(=O)OCC(c2ccccc2)c2ccccc2)C1 13782820 LOEOHDIZAUWITK-AREMUKBSSA-N 411.545 5.397 0 1 HKAF C[C@H](O)CCCCCCCCCCCCCCCCCCCCC[C@@H](O)CCO 15273943 UHNHNACCNLEBON-IZZNHLLZSA-N 414.715 7.303 0 1 HKAF biogenic N=C(N)CCCC[C@@H]1C(=O)O[C@H]2Cc3cc(-c4cccc(-c5ccccc5)c4)ccc3[C@@H]21 27432292 IZDFKJCMUYOBRB-OHSXHVKISA-N 424.544 5.698 0 1 HKAF Cn1c(C(=O)NC(C)(C)C)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 28337380 KSOFDKXGGLAUJF-UHFFFAOYSA-N 402.325 5.589 0 1 HKAF O=C(NCc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[C@H]1[C@H](O)CCc1ccccc1 28571288 BEQXUUNABIRINN-NJDAHSKKSA-N 406.353 5.020 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC(CO)CO 32840860 DVYDCUGIJCYIQN-DOFZRALJSA-N 406.607 5.809 0 1 HKAF endogenous,in-man C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 38412349 OFNJCHBCBBSWHW-XVYZBDJZSA-N 418.662 5.474 0 1 HKAF in-vitro O=C(O)C[C@@H](Cc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccccc1 40506130 SMHFDENBRYKOCE-LJQANCHMSA-N 404.897 5.539 0 1 HKAF Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(/C=C/C(=O)O)cc1 40563771 AKPCUYWXGDJENF-NYYWCZLTSA-N 418.440 5.847 0 1 HKAF c1ccc(CN[C@@H]2C3C[C@@H]4CCC[C@H](C3)N4[C@H]2C(c2ccccc2)c2ccccc2)cc1 58608887 KQKNMRPRNMBGPX-BUTHHOLRSA-N 422.616 5.992 0 1 HKAF O=C(NCc1ccccc1Cl)c1cnc(NC2CCCCC2)nc1-c1ccccc1 82133267 LKRZACPMYKQEBW-UHFFFAOYSA-N 420.944 5.472 0 1 HKAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccc(F)cc3)n2)C1 82136390 MBBVEOQQSNMAKW-FOUBCARRSA-N 424.564 5.074 0 1 HKAF Cc1nc(-c2cnc(NCCc3ccccc3F)nc2-c2ccc(F)cc2)oc1C 82164826 TXJXMUWSPLSYTC-UHFFFAOYSA-N 406.436 5.348 0 1 HKAF Cc1cccc(-c2nc(N(C)CC(C)C)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 82173005 WAJZZEXPWGRVBR-UHFFFAOYSA-N 412.537 6.175 0 1 HKAF O=C(Nc1ccc(F)cc1)N1CCc2occc2[C@H]1c1ccc(C(F)(F)F)cc1 84653761 WLQZSGGBHSDNBI-LJQANCHMSA-N 404.363 5.617 0 1 HKAF Cc1nc(Cc2ccc(Cl)cc2)sc1[C@H]1SCC(=O)N1c1ccccc1 95560812 ZYYASGCDOUPONJ-HXUWFJFHSA-N 400.956 5.474 0 1 HKAF Fc1ccc(COc2ccc(/C=C/CCSc3nc4ccccc4s3)cc2)cc1 96938097 ROIJMIHUPXHJEO-HWKANZROSA-N 421.562 7.210 0 1 HKAF COc1cc(CN2/C(=C\c3ccccc3)Nc3cc(C)ccc32)cc(OC)c1OC 103018313 CJCPOMVDUWYVFM-IWIPYMOSSA-N 402.494 5.452 0 1 HKAF CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(F)cc2)C2=C(O)CCCC2=N1 103935320 NSWMSTQNDGIAAH-HSZRJFAPSA-N 421.468 5.256 0 1 HKAF COc1cc(-c2ccc3ncnc(Nc4cccc(C(F)(F)F)c4)c3c2)ccc1O 143184437 QSRJUWTVHOQBPZ-UHFFFAOYSA-N 411.383 5.773 0 1 HKAF C[C@@H]1CCc2c(c3c(O)cc([C@H](C)CCCCc4ccc(F)cc4)cc3oc2=O)C1 169344032 LZZHUHCWGBVPKU-IAGOWNOFSA-N 408.513 6.279 0 1 HKAF CCCCCCN1C[C@@H](O)[C@@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccccc1 169362505 GMPZFDPIEMHNIC-DSNGMDLFSA-N 422.548 5.014 0 1 HKAF C[C@H](CN1CCCC[C@H]1CC1CCCCC1)c1cccc(C(=O)c2ccc(F)cc2)c1 253636441 ZXEZBERMOMMNEP-ZBLYBZFDSA-N 421.600 6.985 0 1 HKAF C[C@H](CC(=O)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 255235866 MOYFRUOSASPJJM-ADGPFQHRSA-N 400.603 6.272 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255284026 YDQIBRUWWSGZRH-IORCVJLZSA-N 414.718 8.025 0 1 HKAF CCN(CC)CCCn1c(-c2ccc(OC)cc2)nc2cc(C(F)(F)F)ccc21 299835958 XBJNPTILCHCKFD-UHFFFAOYSA-N 405.464 5.463 0 1 HKAF C[C@H]1[C@H](Nc2ncc(C(=O)N3CCCC3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C 299880705 MSLPWLIMOWYVED-NVEXJGOOSA-N 422.548 5.001 0 1 HKAF Brc1cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2cc1Br 586884880 JOSGPVZBTSPJQC-XIKOKIGWSA-N 418.132 5.459 0 1 HKAF COc1ccccc1-n1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cn1 586986601 DHFVJVWOXAOZBS-UHFFFAOYSA-N 419.440 5.013 0 1 HKAF CC(C)(Oc1ccc(Br)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 586996746 UDSQSXAOBUZJTE-UHFFFAOYSA-N 401.638 5.571 0 1 HKAF Cc1cc(Br)cc2nc(-c3ccnc(Br)c3Cl)[nH]c12 587005512 KIHKEBPGFLPOLW-UHFFFAOYSA-N 401.489 5.112 0 1 HKAF COc1cccc(-c2ccc(-c3nc4nc(Br)c[nH]c-4n3)c(Cl)c2)c1 587051578 DUTVHXUHVMZJSP-UHFFFAOYSA-N 415.678 5.063 0 1 HKAF Fc1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1F 587064010 ISXDMNURFVFOBU-UHFFFAOYSA-N 423.850 6.195 0 1 HKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(F)c(Br)cc2[nH]1 587066991 XUTPUMHGKPGEJE-UHFFFAOYSA-N 404.670 5.884 0 1 HKAF COc1cc(Cl)ccc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587066993 XVCCIGXYRJFKGO-UHFFFAOYSA-N 405.601 5.673 0 1 HKAF Clc1cc(Cl)cc(-c2cncc(-c3nc4ccc(Br)cc4[nH]3)c2)c1 587067538 GNWDKIWNBUTUNT-UHFFFAOYSA-N 419.109 6.361 0 1 HKAF C[C@H](c1nc2ccc(I)cc2[nH]1)c1ccccc1C(F)(F)F 587097949 MAUOSBVTMBOAIX-VIFPVBQESA-N 416.184 5.338 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1ccc(Cl)c(Cl)c1OCC3 587103884 MMOZTPZMYAKUMQ-UHFFFAOYSA-N 418.279 6.355 0 1 HKAF COc1cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1OC 587110304 RDOQGGCBCDXESW-UHFFFAOYSA-N 404.310 5.209 0 1 HKAF FC(F)(F)Oc1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cc1Cl 587118239 KSPJVGPPFMDQMK-UHFFFAOYSA-N 424.732 5.256 0 1 HKAF Fc1cc(Br)cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 587123782 HAFIDRZLXICAOB-UTCJRWHESA-N 417.225 6.247 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4c(S)nc(S)nc4[nH]3)cc2F)c1 587143807 ZSIBSFDJRCHBOQ-UHFFFAOYSA-N 418.906 5.065 0 1 HKAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(Cl)cc(Br)cc2[nH]1 587147992 XCDBYPPVHUYXCB-UHFFFAOYSA-N 423.648 5.325 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 587190895 JJBPFMMSULVDJM-KRWDZBQOSA-N 421.419 5.418 0 1 HKAF COc1cccc(-c2cc(-c3ccc4c(c3)NC(=O)CO4)nc3c2oc2ccccc23)c1 587362518 JDRACBIKBZYTLE-UHFFFAOYSA-N 422.440 5.655 0 1 HKAF CCOC(=O)[C@@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@H]1C 587363012 OOPHREHUNUINPB-MAUKXSAKSA-N 415.489 5.886 0 1 HKAF COc1cccc(-c2cc(-c3cnc4nc(C)nn4c3C)nc3c2oc2ccccc23)c1 587363609 RDOGWCINYLTWGG-UHFFFAOYSA-N 421.460 5.378 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(Br)cc4)cc1)[C@@H](C2)C3=O 587418254 OCUYVNUPQKWUMA-CVDCTZTESA-N 421.290 5.613 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(CN3CCC[C@H](C)C3)c1)CC2=O 587474314 DXUKJALFHRMZGA-GKVSMKOHSA-N 423.553 5.292 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(c1ccccc1C)CC2=O 587476168 DWHQFPGCQIWMQJ-AREMUKBSSA-N 402.490 5.571 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccccc3)cc1C)CC2=O 587482348 SSEHAGQWFGAQPV-VWLOTQADSA-N 402.490 5.939 0 1 HKAF COc1cccc(-c2nc3ccccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587515153 LHLXVCJFNNBTAJ-HSZRJFAPSA-N 424.500 5.595 0 1 HKAF COc1ccc(COc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 587525127 QGIQTNYAFBIQJK-SANMLTNESA-N 414.501 5.860 0 1 HKAF COc1cc(C)c(Cl)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541545 FNVCYVGUYZMRIQ-NZQKXSOJSA-N 410.853 5.240 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OC(F)(F)F)c1F 587554099 HDWZQVUUDMWZGE-JXFKEZNVSA-N 420.314 5.133 0 1 HKAF Cc1c(F)cccc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587559416 XHNMGJDEFGDVFW-DHLKQENFSA-N 416.404 5.803 0 1 HKAF CC(C)(C)C[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569707 IXHSNTBZYRQUDI-BWKNWUBXSA-N 406.453 5.825 0 1 HKAF CCc1ccc(-c2c[nH]nc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587597065 RVGVWAKRCHDIPX-SQJMNOBHSA-N 412.445 5.048 0 1 HKAF Cc1cc(Cl)cc2c(Sc3ncccc3C(=O)O)c(-c3ccc(F)cc3)[nH]c12 587624019 BJVKLWVHIFTEPE-UHFFFAOYSA-N 412.873 6.180 0 1 HKAF O=C([C@H]1C[C@@H]1c1ccc(Cl)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657605 YNDCRMAYQJKSIO-RTWAWAEBSA-N 418.855 5.300 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)ccc2Cl)N1 587691411 FSYXOEHMXULWAB-XLFHBGCDSA-N 403.122 5.693 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3c(F)cccc3F)o2)N1 587723183 WNEJAQYPWYDZJF-WVDJIFEKSA-N 422.244 5.750 0 1 HKAF Cc1ccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587742325 QRYMINDJBPHHIM-SVVFRNOSSA-N 417.366 5.058 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=Cc3ccc(N)c4cccc2c34)N1 587744974 IPWSVRJUURASTE-YTEVENLXSA-N 409.302 5.128 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(N)cc3)o2)N1 587746280 LZHOFSZDXAWCDF-PRWKNARSSA-N 401.279 5.054 0 1 HKAF CCOc1ccccc1OCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587780163 MFTGNBVFYWCNPA-UHFFFAOYSA-N 415.209 5.322 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(C)(C)C)[nH]c3ccccc23)N1 587794492 VIUUOQALBQYZIQ-MPBGBICISA-N 415.350 5.991 0 1 HKAF CC[C@H](C)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587805648 GWZOLNIMCFYDKT-QRQYBIJMSA-N 406.339 5.734 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccc(C(C)(C)C)cc2)N1 587821014 SFMFBPPJQJEVFD-SPLOXXLWSA-N 404.367 6.094 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc3ccccc3o2)(C(C)(C)C)N1 587828419 NHTLOHSYZOHWHU-MCMMXHMISA-N 416.334 6.158 0 1 HKAF Cc1sc2ccccc2c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587857291 ZLZYAGFIOYHGJP-GIPWTMENSA-N 404.348 5.909 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccnc2c(C)c(Cl)ccc12 587861437 PUECNPPMRJZENH-UHFFFAOYSA-N 417.818 6.077 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSCc1ccccc1 587866824 QDZREMHPMPBPKB-UHFFFAOYSA-N 420.456 5.541 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 587871106 AEIJCOVPAYGWKF-LEWJYISDSA-N 406.501 5.829 0 1 HKAF COc1ccc(CCCc2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1OC 587925791 PZHLTPNCBUMZAQ-UHFFFAOYSA-N 402.494 5.334 0 1 HKAF Oc1cc(-c2ccc(Cl)c(Cl)c2)c(O)n1-c1ccnc(Br)c1 587938994 AAYGJMAVLYPIJR-UHFFFAOYSA-N 400.059 5.020 0 1 HKAF C(=C\c1ccccc1Oc1ccccc1)\c1nc2ccc(CN3CCOCC3)cc2[nH]1 587951106 WKNSLHCONQDZAS-QBFSEMIESA-N 411.505 5.358 0 1 HKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3c(Br)cnc(Br)c3[nH]2)C1 587969645 SJBDLDZZCDRHBF-RKDXNWHRSA-N 401.146 5.413 0 1 HKAF COCCCN1CCc2ccc(OC)cc2[C@]1(CCc1cccc(C)c1C)C1CCC1 961327825 VKJDNSITKBSTIT-NDEPHWFRSA-N 421.625 5.835 0 1 HKAF COc1ccc([C@@]2(c3cccc(OC)c3)NCCc3cccc(-c4ccccc4)c32)cc1 962666425 JPVJRADGZNMJHR-LJAQVGFWSA-N 421.540 5.808 0 1 HKAF C[C@@]1(Cn2c(C(F)(F)F)nc3ccccc32)c2c(F)cccc2C[C@@H]2CCCN21 963112355 SGHSYFWPIWIVOP-YCRPNKLZSA-N 403.423 5.130 0 1 HKAF CCCCOc1ccccc1C[C@H]1COC(=O)[C@@H]1Cc1ccc(Cl)c(Cl)c1 1772624018 LXFVDALKNRVITD-ZWKOTPCHSA-N 407.337 5.747 0 1 HKAF N=c1[nH]c(-c2ccc(Cl)c(C(F)(F)F)c2)c(C(=O)c2ccccc2Cl)s1 1857755748 JWYKAPAFLINPNK-UHFFFAOYSA-N 417.239 5.779 0 1 HKAF CC(C)=C[C@@H]1C[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4Cc5c([nH]c6ccccc56)[C@@]43C)[C@@]2(C)C1 2356407901 OKCACFSXHRZGFR-VFAJWUOVSA-N 401.638 7.807 0 1 HKAF C[C@H]1C[C@H]2CCC[C@@H](CC3=C4CCCN[C@@H]4C[C@H](C)C3)N2[C@@H](C[C@H]2CCCCN2)C1 2356488606 UCTDBQQQSRQPNH-IDIPZOBYSA-N 413.694 5.409 0 1 HKAF CC=C(C)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H](CCC(C)=CC(=O)O)C(C)=CC[C@@H]12 2356577375 BSBLTGZOARUDJS-WIHVIGOGSA-N 402.575 6.086 0 1 HKAF CCC=C1OCCC2=C1[C@@H]1O[C@H](O)CC[C@@H]3C(CC)(CC)CCC[C@@]3(CC)[C@@H]1CC2 2356587708 URZYCNZDXUVMPH-XLVAEZARSA-N 416.646 6.908 0 1 HKAF FC(F)(F)c1cccc(NC(=S)O[C@@H]2CCC23CCC(c2ccccc2)CC3)c1 205707048 GGQYRQYZJUFIDG-LVKMRUPZSA-N 419.512 6.925 0 3 HKAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCc1ccc(OCC)cc1 4217087 KYKFITCQGWEZNH-DQEYMECFSA-N 422.569 5.458 0 1 HKAF COc1cc(OC)c(-c2c(C)cc3cccc(OC)c3c2O)c2c1C(C)=N[C@@H](C)C2 13359329 QGIHYQPVZRSTNP-AWEZNQCLSA-N 405.494 5.300 0 1 HKAF biogenic,in-vitro O=C(O)[C@@H]1CCCN(CCO[C@H](c2ccc(Cl)c(Cl)c2)C2CCCCC2)C1 13729432 ZYYYOOSODGRELM-XLIONFOSSA-N 414.373 5.428 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C)CC(=O)[C@](C)(CCC(=O)O)[C@H]3CC[C@@]21C 13781885 GOSURFASCRNOMA-UZAHPLCGSA-N 418.662 6.988 0 1 HKAF Cc1csc([C@]2(C)CSC(c3csc([C@]4(C)CSC(C(C)C)=N4)n3)=N2)n1 14594356 BDZRADRTDBWWNO-ROUUACIJSA-N 422.670 5.333 0 1 HKAF biogenic C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@H](O)c1cccc2ccccc12 14970211 FWLWRHKXDGEBTC-KZQOYIJHSA-N 424.519 6.254 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1cc([C@@H]2COc3cc(O)ccc3C2=O)c(O)cc1O 15253972 HGFVLVLDRQUNFD-GSWGVQEBSA-N 408.494 5.398 0 1 HKAF C[C@]1(c2ccc3ccccc3c2)CC(c2ccc3ccccc3c2)=Cc2ncnc(N)c21 29045713 HVURFPQECSMAGG-GDLZYMKVSA-N 413.524 6.616 0 1 HKAF CCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CC[C@@H]2[C@H]2CCC3=CC(=O)CCC3=C12 34799883 QPIUHLBKRNGNER-KRDNNSTISA-N 412.658 7.310 0 1 HKAF Cc1cccc2nc(-c3cccc(-c4ccc(NC(=O)c5ccncc5)cc4)c3)[nH]c12 45168100 HVMHMPADEGDONR-UHFFFAOYSA-N 404.473 5.853 0 1 HKAF O=C(O)[C@@H]1CCCN(CC/C=C(\c2ccccc2)c2ccccc2OC(F)(F)F)C1 66156655 MNKLYYQWUNTWSZ-LSCADSNKSA-N 419.443 5.204 0 1 HKAF Cc1cccc(COc2ccc(-c3nn(CCCF)cc3-c3ccncc3)cc2)n1 73196528 GIFXNIAGKRIWTN-UHFFFAOYSA-N 402.473 5.254 0 1 HKAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)OCCC3CCCCC3)C2)co1 82069646 WWBPWFBOSIEIQY-FQEVSTJZSA-N 424.541 5.016 0 1 HKAF C[C@H]1C[C@@H](C)CN(c2ncc(-c3nc4ccccc4s3)c(-c3ccccc3)n2)C1 82162989 XEAZWAPYNVDWGD-CALCHBBNSA-N 400.551 5.903 0 1 HKAF CCCCCn1c(C2CC2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 82189934 AUDDSSRKADSZLG-UHFFFAOYSA-N 418.372 5.855 0 1 HKAF CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(OC)cc2)cs1 82193589 KUYPKEMOPPAFGV-UWJYYQICSA-N 415.603 5.120 0 1 HKAF COc1ccc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 84688258 SBHYBWQELBVOKE-IBGZPJMESA-N 401.466 5.156 0 1 HKAF O[C@@H](Cn1c2ccccc2c2ccccc21)[C@H](O)Cn1c2ccccc2c2ccccc21 84689943 JFZFGPGRUNJFHN-HNRBIFIRSA-N 420.512 5.324 0 1 HKAF CC(C)=CCC(=O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@H]1CC3 85562454 BEKGHDKZPARIFA-DQEGEYQDSA-N 424.669 7.476 0 1 HKAF C[C@@H](Oc1c(N)ncc2c(-c3ccccc3)coc12)c1c(Cl)ccc(F)c1Cl 96273062 JIPIMCFZUZYHMQ-LLVKDONJSA-N 417.267 6.663 0 1 HKAF CCN(CC)C(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3C)c2cccc(OC)c2)cc1 100999261 ABBSYOBLSNKXQO-ZEQRLZLVSA-N 418.581 5.236 0 1 HKAF Cc1ccc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3nc(C(F)(F)F)nn32)cc1 103529839 ZURQVOTVNMCOCK-UZLBHIALSA-N 424.426 5.671 0 1 HKAF CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2C)C2=C(O)CC(C)(C)CC2=N1 104700261 LEULVRDHRFLBST-XMMPIXPASA-N 414.549 6.386 0 1 HKAF Cc1cc(-c2ccn[nH]2)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12 113656580 UOGFBQHXZGZNHI-UHFFFAOYSA-N 419.532 5.705 0 1 HKAF Clc1ccc(CN[C@H](CNc2ccccc2)COc2cccc3cnccc23)cc1 169329854 BTGWUZJVXNMPQI-HSZRJFAPSA-N 417.940 5.538 0 1 HKAF CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@@H]5[C@H]6OC[C@@]5(CCC6(C)C)CC[C@@]43C)[C@]2(C)CC1 254081063 XIZAYEJGPTUGCZ-TXBUDDRXSA-N 424.713 8.187 0 1 HKAF CC1=C2C3=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]4(C)[C@]3(C)CC[C@]2(C)CC[C@@H]1C 257472503 LGVXVLHBYPSFGC-DKYMVRKKSA-N 424.713 8.089 0 1 HKAF endogenous,in-man CCSc1nc(Nc2cccc(F)c2)c2cnn(C[C@H](C)c3ccccc3)c2n1 299865130 NIAVOXWSIGNJIM-HNNXBMFYSA-N 407.518 5.625 0 1 HKAF O=C(O)c1ccc(-c2cn3c(n2)[C@@H](c2c(Cl)cccc2C(F)(F)F)OCC3)cc1 473097916 DJRVJMXQENJDJX-QGZVFWFLSA-N 422.790 5.040 0 1 HKAF Cc1cc(-c2nc3nc(C)c(Br)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586879268 NKOOOUJEEWMINU-UHFFFAOYSA-N 422.282 5.369 0 1 HKAF O=C(O)/C=C/c1ccccc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586881332 WRFBYUUWLMHQKC-AATRIKPKSA-N 411.177 5.109 0 1 HKAF Cn1cc(/C=C\c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c2ccccc21 586987032 JGMFEFPZBIYNRT-KHPPLWFESA-N 402.453 5.814 0 1 HKAF Cc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Cl 587025144 DXSFGOQEHLMLQT-BEVDRBHNSA-N 413.974 5.661 0 1 HKAF CSc1ccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2c1 587050898 MXHJIFUBKQJSCO-UHFFFAOYSA-N 400.934 7.425 0 1 HKAF Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 587052154 XBHCVYQFYPSIRM-BQBZGAKWSA-N 417.521 5.952 0 1 HKAF Clc1cccc(-n2nc(-c3nc4ccc5c(c4[nH]3)CCCC5)cc2-c2ccco2)c1 587068647 WNFLLDSPUZICJJ-UHFFFAOYSA-N 414.896 6.208 0 1 HKAF Fc1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1Br 587073097 BDKSRBPXTOWCAW-HNNXBMFYSA-N 408.702 5.455 0 1 HKAF Cc1c(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587076212 QFXALQXOHOUHDQ-UHFFFAOYSA-N 414.896 5.956 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(O)cc3Br)nc3cccc1c23 587102064 OLKZDDPQHAIVDL-UHFFFAOYSA-N 402.247 5.581 0 1 HKAF FC(F)(F)c1cc(Oc2ccc(-c3nc4ncc[nH]c-4n3)cc2)cc(C(F)(F)F)c1 587110154 OFCGNFGUHQLNBN-UHFFFAOYSA-N 424.304 5.801 0 1 HKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(Br)cnc(Cl)c2[nH]1 587113591 NPDHFEWUBIFOTB-QMMMGPOBSA-N 418.644 5.739 0 1 HKAF COc1ccc(C)c2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355030 WMEXYYHSZYTECA-AOYPEHQESA-N 418.464 5.439 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1ccc(F)cc1Cl)O2 587385759 PTMUACGMYMYLTJ-QFIPXVFZSA-N 411.860 5.655 0 1 HKAF Cc1cc(Cl)cc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C(C)(C)C)[nH]c12 587500532 PQDJEDAYSDPKNL-OAQYLSRUSA-N 421.968 7.013 0 1 HKAF CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Br 587505635 VDNJJVVYWBZPLX-LJQANCHMSA-N 401.300 5.433 0 1 HKAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1nc(C)cc1C 587514619 HPSYFDYGZNOFDQ-RUZDIDTESA-N 416.521 5.142 0 1 HKAF CCOC(=O)[C@@H](C(C)C)[C@@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587523693 MDMVEWXCICAKPE-SHQCIBLASA-N 420.549 5.347 0 1 HKAF O=C1C[C@@H](c2sc(N3CCCCC3)nc2Cl)Oc2c1ccc1c2CCCC1 587534498 CEKZOAHAXAXIOG-KRWDZBQOSA-N 402.947 5.372 0 1 HKAF C[C@@]1(c2cccc(C(F)(F)F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548310 NKSWCZKEIWLCGV-UTKZUKDTSA-N 418.342 5.427 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1F)C1CCCC1 587568133 LDCXWXSKEQVHLE-RDGATRHJSA-N 404.437 5.579 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(C(F)(F)F)c2)N1 587709862 BMHIROTVCFFRCM-QGHHPUGFSA-N 402.229 5.405 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(C(F)(F)F)c2F)N1 587713589 SSDOBJGUGJPPAZ-XLFHBGCDSA-N 420.219 5.544 0 1 HKAF CCOc1nc2ccccc2cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587776438 CPDZJCVXDWWAIS-ODXCJYRJSA-N 415.306 5.159 0 1 HKAF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(C)C 587796303 TTZSEWVZBMQXSU-ODXCJYRJSA-N 408.311 5.008 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccccc2)N1 587811052 MLGQTEBLTZCODD-PEBXRYMYSA-N 412.302 6.004 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccs3)cc2)N1 587850953 GWBULOOQCWPJAN-YUNKPMOVSA-N 402.332 5.940 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2cc(F)ccc2[nH]1 587856553 XWEDSTVBIGXDON-UHFFFAOYSA-N 418.255 5.565 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc3ccc(Cl)nc23)N1 587859140 VYHBJXRZHYSQJH-CQLKUDPESA-N 411.727 5.475 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C)c(Br)cn1 587861432 PPYIQXKGIGJPST-UHFFFAOYSA-N 412.209 5.033 0 1 HKAF C[C@]1(c2cc3cc(F)ccc3o2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962647995 VYVSLIBSBKWFKX-WNCULLNHSA-N 412.508 5.582 0 1 HKAF CCOC(=O)[C@]1(c2ccc3ccccc3c2)NCCc2cc(-c3ccccc3)ccc21 962662798 CQIOKWIAIJFONQ-MUUNZHRXSA-N 407.513 5.459 0 1 HKAF C[C@@H]1N(Cc2ccccc2)CCC[C@]12c1cccc(F)c1CCN2[C@@H]1CCSC1 962718012 XIKFNCOIBCMURJ-PIBDYAPNSA-N 410.602 5.069 0 1 HKAF COc1cc(C[C@@H]2CCC[C@]3(C2)N[C@H]2CC[C@@H]2c2ccc(OC)cc23)cc(OC)c1 962994489 KSWHKGKJJYHDHG-RFIQWVKESA-N 407.554 5.190 0 1 HKAF C/C(=C\[C@@]1(c2ccccc2)NCCc2c(Cl)cc(Cl)cc21)Nc1ccccc1 963103728 GKVOOXQWKXHUEV-JOPBRCQMSA-N 409.360 6.399 0 1 HKAF CSc1ccccc1[C@]1(CCc2ccc(C)c(C)c2)NCCc2ccc(O)cc21 963340436 HHHLMXPJJVYXEN-SANMLTNESA-N 403.591 5.753 0 1 HKAF COc1ccc([C@H](CNC(=O)c2ccc(/C=C/c3ccccc3)cc2)n2ccnc2)cc1 1772589254 BMXAFZUXKDHTEC-GJTXFRBNSA-N 423.516 5.082 0 1 HKAF O=C(Nc1cncc(Cl)c1)c1cc(Br)ccc1OCc1ccccc1 1772596897 RKLMJGBBKUANMR-UHFFFAOYSA-N 417.690 5.329 0 1 HKAF COc1ccc(-c2c(O)[nH]c3c(C4=CCCCC4)c(-c4ccccc4)nn3c2=O)cc1 1857599787 JPRGVCGXVZQFLK-UHFFFAOYSA-N 413.477 5.028 0 1 HKAF COc1ccccc1-c1ccnc(Nc2cccc(Cn3cnc4ccccc43)c2)n1 1857761924 ZNYWIWXWOHYBON-UHFFFAOYSA-N 407.477 5.294 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@H](CO)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356312488 CDSMIJAJMQGGLT-PIKHAZSCSA-N 414.718 7.882 0 1 HKAF C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@@H]3[C@@]1(C)[C@H]2C 2356330482 KRAHTSBHXANSDF-DLEQKRCUSA-N 400.647 6.823 0 1 HKAF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CCCC=CC=Cc4ccccc4)[C@@H]4C=C[C@@H]1[C@H]2[C@@H]43 2356424917 YUFZJFBMKNIVGN-MTQZZVOLSA-N 402.534 5.112 0 1 HKAF CC(=CCCC1=CC[C@H](C2=CC(=O)OC2)O[C@@H]1O)CCC1=C(C)CCCC1(C)C 2356524993 SFCKEJIXMBMGDU-VWNXMTODSA-N 400.559 5.537 0 1 HKAF COc1c(-c2ccc(OC)c3c(OC)cc(C)cc23)c(O)cc2c1[C@H](C)N(C)[C@H](C)C2 2356584623 LJOLOTQJTYGVTJ-CVEARBPZSA-N 421.537 5.484 0 1 HKAF Cc1cc(=O)c2c(o1)O[C@]1(C)CC[C@@H]3[C@](C)(CC[C@@H]4C(C)(C)C(=O)CC[C@@]43C)[C@H]1C2 2356852839 QTXCTSXJSCIHGH-QYSZQGBPSA-N 412.570 5.480 0 1 HKAF C[C@@H](Nc1oc(-c2ccccc2)nc1-c1ccc(C(F)(F)F)cc1)c1ccccc1 8860599 YOMLHWOHMGEIKR-MRXNPFEDSA-N 408.423 7.201 0 1 HKAF O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)nn1Cc1ccccn1 13534797 BLKMMQBUPKVNSE-UHFFFAOYSA-N 424.287 5.665 0 1 HKAF CCCCNC(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12 13607402 YCVAXNAZPCCBEH-UHFFFAOYSA-N 410.732 5.420 0 1 HKAF Cc1cccc(NC(=O)N(C)c2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1 13673599 ZWLGJBWBMJLKSB-UHFFFAOYSA-N 403.511 5.226 0 1 HKAF CCc1nc2c(C)cc(C)nc2n1Cc1ccc(/C(=C\C(=O)O)c2ccccc2)cc1 13756101 VFBADBYLLKOJDE-JCMHNJIXSA-N 411.505 5.175 0 1 HKAF CC[C@]12CCCN(Cc3ccccc3)[C@@H]1c1c(n(C)c3ccccc13)[C@@H](C(=O)OC)C2 17215801 YFCBXMUGKAVGTO-MAFNXUKGSA-N 416.565 5.572 0 1 HKAF CN1[C@@H](C[C@@H](O)c2ccccc2)CCC[C@@H]1CC(O)(c1ccccc1)c1ccccc1 17250380 JENMHGAQDBWNHC-ZONZVBGPSA-N 415.577 5.289 0 1 HKAF Cc1ccc(C(=O)c2c(N)sc3c2CCN(Cc2ccccc2)C3)c2ccccc12 27882413 UBUJDBRBLFHKPN-UHFFFAOYSA-N 412.558 5.581 0 1 HKAF CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(C3CCCCC3)cc2)c1)C(=O)O 29127285 ZZWHMLRXHBPITO-IBGZPJMESA-N 423.553 5.326 0 1 HKAF COC(=O)[C@H](Oc1ccc(Cl)cc1)c1ccc(Sc2ccc(Cl)cc2)cc1 39242764 FCBOEBQVRPMHKT-HXUWFJFHSA-N 419.329 6.438 0 1 HKAF COC(=O)[C@H]1CC=C(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C[C@H]1C(=O)OC 40457108 MRKGZZRVSSGZIK-HIGZBPRKSA-N 422.650 6.724 0 1 HKAF C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 40514420 FYHRJWMENCALJY-DTKLHLANSA-N 402.663 6.361 0 1 HKAF CCCC[C@H](Sc1ccc(OCCCOc2cccc(C(C)C)c2)cc1)C(=O)O 43011794 CUSRKEXXWGILRX-QHCPKHFHSA-N 416.583 6.393 0 1 HKAF CCCc1cc(=O)oc2cc(-c3cc4ccccc4s3)c3c(c12)OC(C)(C)C=C3 43120323 WIYBCGASWOYDBD-UHFFFAOYSA-N 402.515 6.811 0 1 HKAF Cn1c(CN2CCC(c3ncc(C(F)(F)F)cc3Cl)CC2)nc2ccccc21 45351383 OTTSZTXIWXPOIL-UHFFFAOYSA-N 408.855 5.020 0 1 HKAF CN1CCN(c2ccc(Nc3ccnc4ccc(-c5ccc(F)cc5)cc34)cc2)CC1 58534715 RZZOZKNFFPMJFF-UHFFFAOYSA-N 412.512 5.536 0 1 HKAF CCOc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(CC)(c4ccccc43)[C@H]2C1=O 68588119 UXMOSFCDANTQEI-QDBPJBAASA-N 423.512 5.046 0 1 HKAF biogenic COc1cccc(Nc2cc3c(cn2)cc(-c2cccnc2)n3Cc2ccccc2)c1 82083625 DMRDFJYCQWSPSX-UHFFFAOYSA-N 406.489 5.899 0 1 HKAF CC(C)Oc1ccccc1[C@H]1Nc2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C21 103935481 HPXXFDKPOXTJKY-PIIWDFAUSA-N 424.544 7.103 0 1 HKAF N#Cc1cccc(S(=O)(=O)c2cnc3c(F)cccc3c2-c2cccc(Cl)c2)c1 115922495 KJJWCIRWJZFCAK-UHFFFAOYSA-N 422.868 5.399 0 1 HKAF Cc1ccc(CCNC(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)cc1 148289214 WUPGMUAAKVYGSG-UHFFFAOYSA-N 424.504 5.293 0 1 HKAF CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 255214618 HCXVJBMSMIARIN-RSCRDMHTSA-N 412.702 7.801 0 1 HKAF c1ccc(Oc2ccc3nc(CSc4nc(-c5cccnc5)no4)[nH]c3c2)cc1 586966318 BBRBCJWJLVNDBE-UHFFFAOYSA-N 401.451 5.093 0 1 HKAF Cc1ccc(NC(=O)Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(C)c1 586995452 HFSIEGFGSJKGKL-UHFFFAOYSA-N 406.485 5.553 0 1 HKAF CC(C)(Oc1ccc(Br)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 586996447 PTSAKWHYYFHCJD-UHFFFAOYSA-N 400.198 5.053 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)n1 587020400 RDIFRSNPXKHWOP-UHFFFAOYSA-N 405.470 6.306 0 1 HKAF CC(C)(C)c1cccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 587068222 MHVNZFDKRUGDBB-UHFFFAOYSA-N 416.912 6.627 0 1 HKAF Fc1cc(F)c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1Br 587137681 FWWVCWUIKMJENK-UHFFFAOYSA-N 411.555 5.943 0 1 HKAF Fc1ccc2[nH]cc(Cc3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2c1 587175662 XJGZLWKJHMNAOS-UHFFFAOYSA-N 412.184 5.555 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587192622 WZBOORUCWAQUFI-OAHLLOKOSA-N 407.301 5.221 0 1 HKAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(Br)c(F)cc3[nH]2)c1 587242584 WOWBGWOGXACWAC-UHFFFAOYSA-N 422.254 5.184 0 1 HKAF COc1ccc2c(c1)[C@H](C)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354774 VRUUMJSNIPXYPK-IHPXXTKKSA-N 418.464 5.388 0 1 HKAF CC(C)=C1Oc2cc(O)ccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587361172 XUEPZMBCXZIFHB-RDGATRHJSA-N 418.420 5.178 0 1 HKAF CCCCC[C@@H](C(C)=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587365682 NVBUPOURCYLSQG-FQEVSTJZSA-N 401.506 6.910 0 1 HKAF CCOc1ccc([C@@]2(c3ccc(Cl)c(N)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587375719 OJCYMGQUYHYONQ-XMMPIXPASA-N 422.912 5.121 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1c(Cl)cc(C(F)(F)F)cc1Cl)[C@@H](C2)C3=O 587422191 SDWMMORQAQARNW-BBATYDOGSA-N 417.210 5.684 0 1 HKAF COc1cc2c3c(c1)O[C@@]1(CCCc4nc(-c5ccc(Cl)cc5)sc41)[C@@H](C2)C3=O 587450641 GXDKMKNHZPHDSV-HJPURHCSSA-N 423.921 5.451 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3ccc(Cl)cc3)o1)CC2=O 587460091 FXAXDAQNFPOABK-JOCHJYFZSA-N 412.869 5.877 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)nc(Cl)n1-c1ccccc1)CC2=O 587462720 RPXRAKUDAGKPDT-KRWDZBQOSA-N 417.292 5.544 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccc(F)cc1)(c1ccc(F)cc1)CC2=O 587466497 LQEJDZMEFTUVED-RUZDIDTESA-N 408.444 5.726 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(CNC(=O)OC(C)(C)C)cc1)CC2=O 587467680 BPUVHEUOBAMEHN-NRFANRHFSA-N 411.498 5.076 0 1 HKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(Br)=COc1ccc(F)cc12 587502032 BJHUQMSPQCCKAQ-NRFANRHFSA-N 415.258 5.194 0 1 HKAF CC1(C)Cc2[nH]c3ccc(F)cc3c2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587509337 RHSSDMISZXUXDO-SANMLTNESA-N 403.497 6.019 0 1 HKAF COc1ccc(-c2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1 587531435 KDJQLUURAMUKAM-VWLOTQADSA-N 404.531 6.183 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1cccc(Cl)c1 587546140 IKYPKCVJUMUKIZ-WMZHIEFXSA-N 418.836 5.139 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccncc2)cc1F 587553334 GOGHRGYTZSRXCM-RDGATRHJSA-N 413.404 5.296 0 1 HKAF CC(C)CCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587598385 UJYAATBFEATXEN-BVAGGSTKSA-N 418.489 5.694 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(C(=O)Nc3ccc(F)cc3C)c2c1 587642123 LYXUPOSPKXJHPP-MRXNPFEDSA-N 400.497 7.048 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)c(C(=O)C(F)(F)F)c2c1 587642884 WTYDDVCWJYFHLS-CQSZACIVSA-N 401.472 7.391 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCOc3cc(Cl)ccc32)N1 587701558 UYQLJCOTJBYLGH-WYRIXSBYSA-N 410.714 5.192 0 1 HKAF Cc1ccc([C@@]2(c3ccccn3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587770075 HXKFLSQYSNJGTB-OYHNWAKOSA-N 411.318 5.118 0 1 HKAF CC(C)COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587789894 DDLXAUDNTMSSBW-SPLOXXLWSA-N 406.339 5.421 0 1 HKAF CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C\[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813345 BUWBDKUUDKUAFG-RTHJBVIKSA-N 420.410 6.522 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1cc(C)ccc1Cl 587860971 HOSLWWBGDZXXQZ-UHFFFAOYSA-N 424.806 5.259 0 1 HKAF COc1cccc(C(=O)c2ccc(-c3nc4cc(Br)ccc4[nH]3)cc2)c1 587931169 FZQCIJKOUFRCRJ-UHFFFAOYSA-N 407.267 5.232 0 1 HKAF CC[C@@]1(Cc2nc3cc(Br)cc(F)c3[nH]2)CC(=O)c2ccccc2C1 587960463 LVWSLTXUPPJEHR-FQEVSTJZSA-N 401.279 5.233 0 1 HKAF CC(C)Cc1ccc([C@H](C)c2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1 653708466 KZRIKGJBSYHYIQ-HNNXBMFYSA-N 410.974 5.640 0 1 HKAF Cc1cccnc1[C@]1(c2cc(F)cc(F)c2)NCCc2cccc(-c3ccccc3)c21 962669159 PFNKSLWGXRGBCT-HHHXNRCGSA-N 412.483 5.773 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2sc(-c3ccc(Cl)cc3)nc2C)N1 962959936 RKNKJIWNCFTGGK-MZNJEOGPSA-N 421.997 6.441 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@@]3(CCc1ccccc1)c1ccc(F)cc1 963059258 QBLZIRUCRNUNIC-MHZLTWQESA-N 412.508 5.405 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]2(c1ncco1)c1ccc(Cl)cc1Cl 963118351 ZGNKFVZWHIILRV-HRAATJIYSA-N 403.284 5.433 0 1 HKAF CCOc1cc(CNc2cccc(C)n2)ccc1Oc1ccnc2cc(Cl)ccc12 1857550403 IWORQGVCEOUWDB-UHFFFAOYSA-N 419.912 6.395 0 1 HKAF O=C(Nc1cccc(C(=O)Nc2ccc3n[nH]cc3c2)c1)c1ccc(C(F)(F)F)cc1 1857757806 ZMYGHKBQYJABNW-UHFFFAOYSA-N 424.382 5.086 0 1 HKAF CC(=CCN1[CH]N(C)c2ncnc(N)c21)CC[C@]1(C)C2=CCCC(C)(C)[C@@H]2CC[C@@H]1C 2356304610 UZYCIJHYYJMHIN-UNVFRBQDSA-N 422.641 5.960 0 1 HKAF CC=C(C)[C@H](O)[C@H](C)C=C(C)C=CC[C@@H](C)C=Cc1oc(OC)c(CC)c(=O)c1C 2356417950 RZWLIPXWCCRKLN-PWAGRJGVSA-N 414.586 6.024 0 1 HKAF CCC[C@@H](C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356424974 AZGBFPDCIYGQGD-VPUBHVLGSA-N 414.718 8.025 0 1 HKAF CC(=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@@H]3CC[C@@]12C)[C@H](C)C(C)C 2356656721 XHBUOPUSZGNMDC-HOVBSSBHSA-N 400.691 7.491 0 1 HKAF CC(C=C[C@]1(C)CC[C@H](C)C(=O)[C@H]1C)=CCc1c(O)c(Cl)c(C)c(C=O)c1O 2356705943 JZPUVJNTXDTYIV-URSPUVDMSA-N 404.934 5.559 0 1 HKAF CCCCC[C@@H]1C=C[C@H](CCCCC[C@@H](C(=O)O)[C@@H](O)CCC2(O)CCCC2)CC1 2356773318 WPPKZMUCJIDWFE-QPXUXIHVSA-N 422.650 6.247 0 1 HKAF CC1(C)Oc2ccc3c(=O)c(-c4ccccc4)c(-c4ccccc4)oc3c2[C@H]1C(=O)O 1648795 FGNMDOTVDZSLKX-NRFANRHFSA-N 412.441 5.466 0 1 HKAF O=C(NC1CCCCC1)c1c(-c2ccc(F)cc2)noc1-c1cccc2ccccc12 2478253 HPBFJQCZTGRBDO-UHFFFAOYSA-N 414.480 6.363 0 1 HKAF COc1cc(OC)c2c(c1)[C@H](CCCCCCCCCCCC[C@H](C)O)OC2=O 13367446 URHQQJQMONPELH-RXVVDRJESA-N 406.563 5.977 0 1 HKAF biogenic Cc1cc(C)c(NC(=O)c2ccc3nc(NC(=O)NC(C)(C)C)sc3c2)c(C)c1 13534027 ARRPUFWMDUJPDE-UHFFFAOYSA-N 410.543 5.394 0 1 HKAF Cc1nc2cccc(F)c2c(N)c1CSCc1cccc([C@H](O)C(F)(F)F)c1 13864126 ABHDJBQOHVWGAS-IBGZPJMESA-N 410.436 5.294 0 1 HKAF O=C1NC[C@@H](c2ccc(F)cc2)C12CCN(C1(c3ccc(F)cc3)CCCCC1)CC2 13982664 IOYMPNIPADFRMW-QHCPKHFHSA-N 424.535 5.120 0 1 HKAF C[C@H](CCCc1coc(C[C@@H](C)C(=O)O)c1)Cc1cc(CCCc2ccoc2)co1 14439609 XBNXDSNAWAAPPE-RTBURBONSA-N 412.526 6.106 0 1 HKAF biogenic COc1ccc([C@@H]2[C@@H](CCOc3ccc(F)cc3F)C(=O)N2c2ccccc2)cc1 28256819 HUFLXLPTEZAKNE-NFBKMPQASA-N 409.432 5.147 0 1 HKAF CCOC(=O)c1c(OCC)cc(C)cc1[C@H]1[C@@H](C(C)C)CC[C@@]1(C)C(=O)OCC 28526389 PGVYCWXSVYBMIZ-NYQDVAGCSA-N 404.547 5.289 0 1 HKAF O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(CN2CCCCC2)cc1Cl 28825949 BIHKMLOTBGDVCT-UHFFFAOYSA-N 400.994 5.272 0 1 HKAF CC1(C)CC(=O)c2c(n(-c3ccc(C(N)=O)c(Nc4ccccc4)c3)c3ccccc23)C1 29047729 LMLYCBZAKAFXGJ-UHFFFAOYSA-N 423.516 5.628 0 1 HKAF O=C(O)c1ccc(-c2ccc(-c3cc4c(Cl)ccc(Cl)c4o3)[nH]2)c(Cl)c1 29464524 HSHMAJKSCJEKNO-UHFFFAOYSA-N 406.652 6.753 0 1 HKAF CC(C)=CCC/C(C)=C\Cc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12 33838253 IGGXIQKUMBVBRV-CHHVJCJISA-N 422.477 5.518 0 1 HKAF Oc1cc(O)c2c(c1)CCCCC/C=C\CCCCCCCc1cc(O)c-2c(O)c1 35259391 HOVAOLZRJGYNIZ-RQOWECAXSA-N 410.554 6.732 0 1 HKAF FC(F)(F)c1ccc(Nc2nc(C(Cl)(Cl)Cl)nc3ccccc23)cc1 43014597 ZNLKOADRGMMUIU-UHFFFAOYSA-N 406.622 6.219 0 1 HKAF CC(C)c1ccc(-c2nc(=O)n(Cc3ccccc3)c3ccc(O)c(CC4CC4)c23)cc1 45356362 SECAOYYCZNJQAN-UHFFFAOYSA-N 424.544 5.893 0 1 HKAF O=C(O)Cc1sc([C@@H](c2ccccc2)c2ccc(O)cc2)nc1-c1ccc(F)cc1 45387227 IIMVGFRDUDAYTR-QFIPXVFZSA-N 419.477 5.462 0 1 HKAF C[C@@]1(c2ccccc2)CCCN(C(=O)NCc2ccc(-c3ccc4[nH]ccc4c3)cc2)C1 48998917 HIQKQNMARNQIET-MUUNZHRXSA-N 423.560 6.098 0 1 HKAF CC1=C2C[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C 52565927 WUTVGYIYHVQBAK-MESYXALXSA-N 411.674 6.501 0 1 HKAF CC[C@H](C)Cn1c(C2CCCCC2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181256 LXQHNBLSDBSKHF-INIZCTEOSA-N 411.981 6.186 0 1 HKAF O=C(Cc1ccc(F)cc1)N1CCc2sccc2[C@H]1c1ccc(C(F)(F)F)cc1 84653758 YUWGYSIVEABLIX-OAQYLSRUSA-N 419.443 5.623 0 1 HKAF CCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 84758571 IGZSIWVDEYTJAD-UHFFFAOYSA-N 417.896 5.844 0 1 HKAF CCOC(=O)c1[nH]cc2nc3ccc(OCc4ccc5ccccc5c4)cc3c-2c1CC 100841474 MZUQNVRYMWOVSR-UHFFFAOYSA-N 424.500 6.139 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(-c4ccc(Cl)s4)s1)CN32 100969906 ULKBAZWILNDSNA-QJQPUQATSA-N 405.972 5.169 0 1 HKAF CSc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccn2)cc1 104694883 HEJUIMPFIDWCOC-NRFANRHFSA-N 405.523 5.250 0 1 HKAF C[C@H](NCc1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118922312 HNPFUHUXZIRHMG-ABQDVHMLSA-N 407.642 6.105 0 1 HKAF CC[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(Oc4ccccc4)cc3)oc2c1 139343027 HRMVERFNVVVZGO-INIZCTEOSA-N 411.461 5.537 0 1 HKAF CCO[P@@](=O)(CC)Cc1cc(Nc2cc(-c3cccc(N)c3)ncn2)ccc1C 169346801 IISOQYAOTJHYJA-LJAQVGFWSA-N 410.458 5.612 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1[C@@H](O)C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C 299850539 UYOSSIFSBNNKRC-CHUJWHAUSA-N 420.678 5.410 0 1 HKAF CC(C)CCOc1cc2nc([C@@H]3COc4ccccc4O3)[nH]c2cc1Br 586918183 KYENOCKSKDFEDR-IBGZPJMESA-N 417.303 5.263 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(Cl)cc(Cl)c1C3 586985705 JHHXFLKHHQGWMG-UHFFFAOYSA-N 404.252 6.030 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)-c1nc2ccc(O)c4c2c(c1CC3)-c1ccccc1C4=O 586989918 SLHUCQBADKMGIV-UHFFFAOYSA-N 402.453 5.707 0 1 HKAF N=c1[nH]c2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc-2c(Cl)[nH]1 587050994 WMCBIQDINZOQQR-UHFFFAOYSA-N 406.276 5.511 0 1 HKAF Cc1cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1Cl 587071043 LBTXPMYEYMRNGZ-YFHOEESVSA-N 409.316 6.928 0 1 HKAF Cc1ccc2c3c(cc([C@H]4CCN(Cc5ccccc5)C4)nc13)-c1ccccc1C2=O 587098495 VNOYFRNHXKMBGN-FQEVSTJZSA-N 404.513 5.744 0 1 HKAF CC(C)(C)c1cccc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc12 587112627 PENAUEMCXOTDGV-UHFFFAOYSA-N 410.439 7.339 0 1 HKAF CCOc1cc(/C=C/c2nc3c(Cl)cnc(Cl)c3[nH]2)ccc1OC(F)F 587130730 PAGNILBGSKTDCV-GQCTYLIASA-N 400.212 5.435 0 1 HKAF COc1cccc(-c2cc(-c3ccc(Cl)nc3Cl)nc3c2oc2ccccc23)c1 587360946 VMMHWYUTBKSRMJ-UHFFFAOYSA-N 421.283 7.025 0 1 HKAF COc1cccc(-c2cc(-c3ccc(C(C)(C)C)cc3)nc3c2oc2ccccc23)c1 587364541 DGXHMBNJOXDVDE-UHFFFAOYSA-N 407.513 7.621 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2c(Cl)cccc2C(=O)c2cccc(Cl)c21 587379150 GGSNNEALJJEBEA-UHFFFAOYSA-N 424.283 5.337 0 1 HKAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1ccccc1F 587384413 CULSGIDVZIOEPC-JOCHJYFZSA-N 407.441 5.010 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1OC[C@H]1CCCO1)CC2=O 587459080 BIIREZMALXECAY-QRQCRPRQSA-N 416.901 5.262 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3ccc4c(c3)CCC4)o1)CC2=O 587486454 XTOUJMLJMYHKDN-RUZDIDTESA-N 418.489 5.712 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCc3nc(-c4ccc(C)cc4)sc31)CC2=O 587496742 TYEZOLMNLPAGBT-RUZDIDTESA-N 419.546 5.974 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(C(F)(F)F)cc1Cl 587558540 WXVDTNIWPFOULU-APWZRJJASA-N 421.758 5.162 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2ccccc2Cl)N1 587701982 YMKKBCDZTXIDRY-WYRIXSBYSA-N 410.714 5.264 0 1 HKAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(F)(F)F 587714520 VTLZLGAIHWBNHQ-HUTHGQBESA-N 418.228 5.239 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(F)cc(Cl)cc2F)N1 587721076 OPNHXEWVRURPNV-CQLKUDPESA-N 404.657 5.318 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(C3CCC3)c2F)N1 587726261 HRMSXSFTIIWGKQ-LAJNKCICSA-N 406.314 5.793 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccccc2F)N1 587727331 NYCWQNWUKMLVOQ-MPBGBICISA-N 403.270 5.142 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2cn(C)c3ccccc23)N1 587753339 AWWGTXIJUNUFEA-QYBFUSSGSA-N 413.334 5.543 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccncc2)N1 587777397 HALRKMCJJLNENP-OYHNWAKOSA-N 411.318 5.004 0 1 HKAF CCO[C@H](C)c1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587794731 POEZXCMRXIDEIT-PXIJXODZSA-N 406.339 5.483 0 1 HKAF CCCOc1c(C)cc(C)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587795677 RGHUQMSFGLVBFL-VBKZILBWSA-N 406.339 5.617 0 1 HKAF CCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CC 587795736 RJKVUUDHFUJLQG-YEJXKQKISA-N 406.339 5.563 0 1 HKAF CCCc1ccc(OCC)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587801574 LTRJPMKODIFTEH-LRTDBIEQSA-N 406.339 5.563 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2oc2ccccc23)N1 587834724 SCTCCDRKYLSUPR-LAJNKCICSA-N 410.286 6.111 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(C)nc2sc(C)c(C)c12 587863805 JNRYBAWPRGUTMX-UHFFFAOYSA-N 418.444 5.497 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C 587870497 ANUHHKVETSZPBC-OAHLLOKOSA-N 416.880 5.466 0 1 HKAF O=C([C@H](Sc1ccccc1)c1ccccc1)n1nc2cc1Oc1ccc(F)cc1-2 587876888 XXCYGAXTECPISC-JOCHJYFZSA-N 402.450 5.969 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3ccc(F)c(F)c3)n2)cc1 587923212 VNGRUSXFVJQLQZ-UHFFFAOYSA-N 406.432 7.043 0 1 HKAF CC(C)c1ccc(-c2cc(O)n([C@H](COc3cc(F)cc(F)c3)N=O)c2O)cc1 587945618 OPOAELHXHVMZFW-LJQANCHMSA-N 402.397 5.312 0 1 HKAF O=C(O)CCCCCCCCCCCCc1nc2ccc(Br)nc2[nH]1 587957123 QCBYRFLPCULCEL-UHFFFAOYSA-N 410.356 5.639 0 1 HKAF CC(C)=CCC/C(C)=C/COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1O 653799616 UGUMERUKCYSOKE-CXUHLZMHSA-N 422.477 5.648 0 1 HKAF CC[C@]1(c2cccc(F)c2C)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961789763 VWJZFGFDBGTVGO-SANMLTNESA-N 424.560 5.939 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)C2(CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)N1 962946293 KYBZPQFMMGSVIT-KRWDZBQOSA-N 409.574 5.099 0 1 HKAF Fc1cccc2c1[C@H](c1ccc(-c3ccc(Cl)c(Cl)c3)cc1)N1CCC[C@@H]1C2 963112377 SJMLCDUPWBWAIT-DVECYGJZSA-N 412.335 6.909 0 1 HKAF Brc1cc2nc(-c3ccco3)c(-c3ccco3)nc2cc1Br 1857771075 NMFYVWJKDKOWAS-UHFFFAOYSA-N 420.060 5.675 0 1 HKAF Cc1cc(O)cc2c1O[C@H](C)[C@H](CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)C2 2356374191 PMFTXNJUEOLHLA-XWVZOOPGSA-N 402.663 8.079 0 1 HKAF CC(C)CCC[C@@H]1C(=O)OC[C@]23CC=C4[C@H](CC[C@@H]5C[C@H](O)CC[C@]45C)[C@H]2CC[C@H]13 2356416714 CFTJBNVECMZNQS-GQSNDVITSA-N 414.630 5.906 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C([C@H](O)C[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=CC3 2356460370 RJWIGXOAUROSSK-VDIJDDGNSA-N 412.658 6.446 0 1 HKAF CC(C)=CCCC(C)=CCC[C@H](C)[C@]1(C)CCC2=C1CC[C@@H]1C(C)(C)CCC[C@@]21C 2356517414 JCONZYYZINSVKI-NVHCPBFRSA-N 410.730 9.819 0 1 HKAF CC=C(C)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CCC(C)=CC(=O)O)C(C)=CC[C@@H]12 2356577372 BSBLTGZOARUDJS-HWIPXOPOSA-N 402.575 6.086 0 1 HKAF C[C@@H](C=C[C@H](O)C(C)(C)O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356801890 RTPRSWIVZNTVHX-HRXHDCHZSA-N 416.646 5.250 0 1 HKAF O=C(NCCc1ccc(F)cc1)c1c(-c2ccccc2F)noc1-c1ccccc1 774922 NDJACPBYDNNEMC-UHFFFAOYSA-N 404.416 5.259 0 1 HKAF CCCc1cc(C(=O)CC)cc(Cl)c1O[C@H](C(=O)O)c1ccc(C(C)C)cc1 12358582 VMIYOZFIEXHSPN-QFIPXVFZSA-N 402.918 6.213 0 1 HKAF COc1cc2c(c(O)c1-c1c(C)cc(OC)c3c(OC)cccc13)C(C)=N[C@@H](C)C2 13359186 BHXTVSSYPDITPL-AWEZNQCLSA-N 405.494 5.300 0 1 HKAF biogenic CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NCCCc3ccccc3)c2)s1 13673391 LSCUBDYJMYVJDU-UHFFFAOYSA-N 413.590 6.788 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(O)cc2c1OC(=O)C2 14510492 KNRFZVZIHDOQLP-FPFQZNTGSA-N 422.609 7.542 0 1 HKAF biogenic,in-vitro CCCCCc1cc(OC(C)=O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](COC(C)=O)C[C@H]21 26012506 YKGBTFFKORCXHI-QHAWAJNXSA-N 416.558 5.579 0 1 HKAF O=C(OC[C@H]1CCCN(CCCc2ccccc2)C1)c1ccc(-c2ccccc2)cc1 27201038 GQIUISIPQMWLHH-DEOSSOPVSA-N 413.561 5.855 0 1 HKAF O=C(CCCN1Cc2c(n(-c3ccc(F)cc3)c3ccc(F)cc23)C1)c1ccccc1 27768794 PESGZEAGZHINMK-UHFFFAOYSA-N 416.471 5.887 0 1 HKAF Cc1ccc([C@H]2c3[nH]c4ccc(F)cc4c3CCN2C(=O)CCc2ccccc2)cc1 38253517 AXWSHHWRDYOZSO-MHZLTWQESA-N 412.508 5.722 0 1 HKAF OC1(c2ccc(Br)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12 40393537 QLWQFJPPXAYVOM-QIDMFYOTSA-N 412.327 5.210 0 1 HKAF CCCC(C(=O)OCCN(CC)CC)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 45303058 ACSSIDXIKZJMHP-UHFFFAOYSA-N 422.396 5.965 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4ccc(NC(=O)C5CCN(C)CC5)cc4)cc3)nc12 45322834 OPUVECVPVQWOOX-UHFFFAOYSA-N 424.548 5.486 0 1 HKAF Cc1ccccc1[C@H](OC[C@@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 49037200 PYNFKKBWKOSQPJ-AHKZPQOWSA-N 417.593 5.588 0 1 HKAF Oc1ccc2oc3ncc(OCc4ccc(Cl)cc4)c(-c4ccccc4)c3c2c1 49803667 RSCVQXSXBRMDTI-UHFFFAOYSA-N 401.849 6.586 0 1 HKAF COc1cc(-c2cnc(N[C@@H](C)c3ccc(F)cc3)s2)ccc1-n1cnc(C)c1 72178427 MQWYRZOYJKGVFJ-HNNXBMFYSA-N 408.502 5.625 0 1 HKAF FC(F)(F)c1cccc(Oc2ccc(Nc3ncnc4cc[nH]c34)cc2Cl)c1 73168344 WFWGCFGIGNLAGO-UHFFFAOYSA-N 404.779 6.166 0 1 HKAF CCCCCn1c(C2CC2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 82179046 PQKNXTWKXSCXFR-UHFFFAOYSA-N 403.452 5.525 0 1 HKAF CCN(CC)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccc4ccccc4c32)cc1 100704201 JQIVLLADNRIRDU-AREMUKBSSA-N 424.588 7.536 0 1 HKAF Cc1nc2c(N3CCN([C@H]4CC[C@@H](c5c[nH]c6ccccc65)CC4)CC3)cccc2[nH]1 101181345 HGUJUMWPWRLWAO-MXVIHJGJSA-N 413.569 5.201 0 1 HKAF C1=N\c2ccc(cc2)/N=C/c2ccccc2OCc2cccc(n2)COc2ccccc2/1 104606042 MWNGRIIXXJKINO-PSUTYVDASA-N 419.484 6.054 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 135624805 SDNBTLXXEFTSQK-BBCQJAEWSA-N 418.706 6.685 0 1 HKAF CC(C)=CCc1cc(Br)c(N)c2c1O[C@@H]1N(C)CC[C@]21CC=C(C)C 140605616 SQMRGQPMSRIJKQ-LEWJYISDSA-N 405.380 5.188 0 1 HKAF CCCCCCCCS(=O)(=O)Nc1ccc(-c2ccccc2F)cc1C(=O)O 143761800 DEQQUOSHRCEJML-UHFFFAOYSA-N 407.507 5.293 0 1 HKAF COC(=O)c1ccc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cc1Cl 144760319 CYRMAQQBQVIFPL-NRFANRHFSA-N 418.798 5.572 0 1 HKAF CC(C)CNC(=O)/C=C\C=C\CCCCCCCC/C=C\c1ccc2c(c1)OCO2 147858975 DRMOIHOBUYFDKF-AAMBBJSJSA-N 411.586 6.434 0 1 HKAF C[C@H](NC1CCCC1)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 165329180 KJXOFDHUAXDUMK-AWEZNQCLSA-N 404.535 5.709 0 1 HKAF O=C(c1cccc(C(F)(F)F)c1)N1CCC(c2ccccc2C(F)(F)F)CC1 169349278 PBYGTZDDQVQREH-UHFFFAOYSA-N 401.350 5.744 0 1 HKAF O=C(c1cnccc1Oc1cccc2ccccc12)N1CCN(C2CC2)c2ccccc21 169349685 GIKLKUKUHWEEDL-UHFFFAOYSA-N 421.500 5.656 0 1 HKAF Nc1cnc(-c2ccc(C3CCC3)c(Oc3cc(-c4ccccc4)ncn3)c2F)cn1 212153972 KCDMFQMIYXTTJL-UHFFFAOYSA-N 413.456 5.382 0 1 HKAF C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2[C@@H](OC(=O)C=C(C)C)c3occ(C)c3C[C@]2(C)[C@H]1C 238753839 YFTBXGVKABIJQN-RSEHDVQPSA-N 414.542 5.625 0 1 HKAF CC(C)(C)c1cc(=NC(=O)Nc2ccc(-c3cn4cccc(Cl)c4n3)cc2)[nH]o1 473108288 LZRHPUWXHQDYPG-UHFFFAOYSA-N 409.877 5.006 0 1 HKAF Cc1cc(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)ccc1Br 586978211 ZCNKJNRFIBQMKV-UHFFFAOYSA-N 405.295 5.456 0 1 HKAF CCCCCC[C@@H](C(=O)OCC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989851 RNAZMAQTRYUADY-GOSISDBHSA-N 417.505 5.769 0 1 HKAF CCOC(=O)C(F)(F)[C@@H]1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1 586992646 ICYVGDSXJQEIDQ-CQSZACIVSA-N 421.443 5.058 0 1 HKAF COc1ccc(Cc2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)cc1OC 586993269 WUYHHZOIORKNNS-UHFFFAOYSA-N 411.457 5.068 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)nccc4[nH]3)c21 587030499 FUEREIMOYNNZKM-LLVKDONJSA-N 413.344 5.679 0 1 HKAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587047921 CFVOPXCFEYLFSY-UHFFFAOYSA-N 419.912 6.057 0 1 HKAF CC(C)(C)c1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587071163 MAEFCZUNFOBUSS-ZROIWOOFSA-N 416.952 7.263 0 1 HKAF Clc1cccc(COc2ccc(-c3nc4nc(Br)ccc4[nH]3)cc2)c1 587072408 VUZOUBINMYKGMP-UHFFFAOYSA-N 414.690 5.620 0 1 HKAF Nc1ccnc2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc12 587077809 YFEBTYJIMYGTBL-SQFISAMPSA-N 423.907 5.896 0 1 HKAF COc1cccc(/C=C2/CCCc3c2nc2c(C)ccc4c2c3-c2ccccc2C4=O)c1 587099230 WWNNHMMKFVMPMZ-CYVLTUHYSA-N 417.508 6.640 0 1 HKAF C[C@@H](C(=O)O)c1c(-c2ccc(Cl)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587103967 NJMNYRQCJPNNPT-CYBMUJFWSA-N 413.860 5.955 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@@H]2c3nc4cccc5c4c(c3[C@@H]2C1)-c1ccccc1C5=O 587106130 LVBCGVVJEVSAGZ-MAUKXSAKSA-N 412.489 5.268 0 1 HKAF CCOC(=O)Cc1ccc2nc(-c3cccc(N)c3Nc3cc(C)cc(C)c3)[nH]c2c1 587240654 HCTXSVCFXYNUGA-UHFFFAOYSA-N 414.509 5.278 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccccn2)[C@H]1c1ccc(F)cc1 587339953 RGYNMMJPOPVYNF-AZGAKELHSA-N 411.432 5.229 0 1 HKAF C[C@]1(CCc2n[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344492 GWDQIDGUUDMLHK-UKILVPOCSA-N 416.452 5.158 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)[nH]c4ccc(Br)cc14)[C@@H](C2)C3=O 587416867 GNEKKHLYZOCLPB-KPZWWZAWSA-N 418.674 5.081 0 1 HKAF COc1cc(Br)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC 587503466 OEYIKFPEQCLKSW-SFHVURJKSA-N 417.299 5.052 0 1 HKAF C[C@@]1(c2ccc(F)c(Br)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587508958 UFEMCTIQCVKOFH-FQEVSTJZSA-N 407.254 5.487 0 1 HKAF O=C(O)Cc1cccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c1 587531360 ZHIHHWYKYOZROR-VWLOTQADSA-N 412.485 5.566 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc(COc5ccc(C)cc5)[nH]c4c3)o2)cc1 587565954 XZJHGFPKEHZIEY-UHFFFAOYSA-N 412.449 5.176 0 1 HKAF CCOC(=O)C(=O)c1c(-c2ccc(Br)cc2)[nH]c2ccc(F)c(Cl)c12 587628168 JGXJMOKXNBUPDG-UHFFFAOYSA-N 424.653 5.136 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccc(OC(F)F)cc3)c2c1 587643966 ZIJHCTKNMDOICE-GFCCVEGCSA-N 401.409 5.300 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2cccc(Cl)c2)N1 587701492 NNMBBRMNHWXOLB-JEOXALJRSA-N 410.714 5.264 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(Cl)nccc3c2)N1 587702533 DNQLCUGMJGFWSJ-XTZNXHDOSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(F)ccc2F)(C(F)(F)F)N1 587706573 QTPDRRFBMYILIF-PWJLMRLQSA-N 424.182 5.207 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)ccnc2Cl)N1 587713110 ROBLABCPILPGSC-UOWDBTKRSA-N 423.635 5.279 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)cc2C(F)(F)F)N1 587714633 WFQQYLMULXRXNB-VPTHRUTESA-N 422.647 5.884 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C23CC(CC(=O)OC(C)(C)C)(C2)C3)N1 587795182 QUYZHGHKAACAPQ-YBQQPESKSA-N 424.354 5.066 0 1 HKAF CC(C)CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587795347 REEAIQFYKAZWEQ-SPLOXXLWSA-N 406.339 5.637 0 1 HKAF COC(=O)CCCCCCCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587805049 GHZVNHPWVLGVQJ-WMLDXEAASA-N 414.359 5.457 0 1 HKAF CC(C)Sc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587842763 GEAQNIJYCBRUPK-RNODOKPDSA-N 408.380 5.886 0 1 HKAF CSc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 587845131 NAJUOTAPTGJRAY-MLCYQJTMSA-N 414.771 5.761 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C)nc2ccccc12 587862626 SEEIHEPRUCMXOB-UHFFFAOYSA-N 411.383 5.123 0 1 HKAF COc1ccc(-c2cccc(-c3nc4ccc5nc(C)ccc5c4[nH]3)c2C)c(OC)c1 587929761 PVFKGCRUZWLRBG-UHFFFAOYSA-N 409.489 6.079 0 1 HKAF FC(F)(F)Oc1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cc1Cl 587951029 QJZRJWBLRVRWRU-UHFFFAOYSA-N 400.828 5.600 0 1 HKAF Cc1nc(-c2ccccc2)sc1[C@]1(C)c2ccsc2CCN1Cc1cccn1C 962376331 VVZAQLRKXDCWIT-DEOSSOPVSA-N 419.619 5.840 0 1 HKAF CC(C)(C)OC(=O)N1CCCc2ccc([C@@H]3c4ccc(F)cc4C[C@H]4CCCN34)nc21 963103502 LMCJIHNVOWKRFU-KNQAVFIVSA-N 423.532 5.018 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccccc1OC)c1ccccc1SC 963241535 MVRKFOIPDYOMMV-NFQMXDRXSA-N 417.618 6.366 0 1 HKAF COCc1ccc(C(C)=O)c2sc(C(=O)Nc3ccc4c(C)cccc4n3)c(C)c12 1772617690 HBLSJYYCCYLZRN-UHFFFAOYSA-N 418.518 5.668 0 1 HKAF Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)n3c2CCO[C@H](C)C3)cc(C)n1 1772621884 XTYGXIPKVBKWII-OAHLLOKOSA-N 417.431 5.089 0 1 HKAF FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(N5CCOCC5)nc4)cc3)nc2c1 1857611900 YLWOKVBXEDDDHU-UHFFFAOYSA-N 424.426 5.147 0 1 HKAF O[C@H](CNc1ccc2c(c1)-c1ccccc1C2)COc1cccc2[nH]c3ccccc3c12 1857632850 NYZAWQQSTKLLKI-OAQYLSRUSA-N 420.512 5.744 0 1 HKAF COc1c(CC=C(C)C)c(O)cc2c1[C@H]1Oc3c(ccc(O)c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c1ccc(-c2noc(-c3ccc(C(C)C)cc3)c2C(=O)NCCC(C)C)cc1 2480914 QYLUYYVQGNPIOO-UHFFFAOYSA-N 406.526 5.917 0 1 HKAF COc1cccc(CN(CCCN2C=CC=CC=C2)c2cc(-c3ccccc3)no2)c1 13437452 XSBDTQCWEBGOLD-UHFFFAOYSA-N 413.521 5.646 0 1 HKAF CC(C)c1ccc2c(c1)c(CCC(=O)Nc1ccncc1)cn2Cc1ccc(F)cc1 13556638 KMPBTPCNYCKWIM-UHFFFAOYSA-N 415.512 5.918 0 1 HKAF O=c1oc(-c2ccccc2)cc(O)c1[C@@H](SCc1ccccc1)c1ccccc1 13740572 QSFOQTCPGNVRSL-DEOSSOPVSA-N 400.499 6.035 0 1 HKAF Cc1c(C(=O)c2ccc(-c3ccccc3)cc2)c2ccccc2n1CCN1CCOCC1 13742551 UAEOVNJWKHGZBJ-UHFFFAOYSA-N 424.544 5.180 0 1 HKAF C[C@H]1CC=C[C@H]2[C@@H](c3ccc(Br)cc3F)N(Cc3ccccc3)C(=O)[C@H]12 13830011 CIPDVFAPNIGCCR-FEHMIHBQSA-N 414.318 5.500 0 1 HKAF CC(C)(C)c1ccc(NC(=O)c2scnc2CCc2ccc3ccccc3n2)cc1 14946546 PTQXSLKSQOHQPJ-UHFFFAOYSA-N 415.562 6.026 0 1 HKAF Clc1ccc(-c2nc(-c3ccccc3Oc3ccccc3)c(-c3ccncc3)[nH]2)cc1 26573977 COXXCKLSWHHFDS-UHFFFAOYSA-N 423.903 7.251 0 1 HKAF CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2cccs2)C2=C(O)CC(C)(C)CC2=N1 27547495 TYHNUAACFNCHTF-NRFANRHFSA-N 410.514 5.970 0 1 HKAF Cc1cc(NC(C)C)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12 28376420 ZXBWGTCHNCXFKQ-UHFFFAOYSA-N 417.431 5.400 0 1 HKAF COc1ccc2cc([C@H](C)c3nnc4sc(-c5ccc(Cl)cc5)nn34)ccc2c1 28823123 OOURINCQLZUXRC-ZDUSSCGKSA-N 420.925 5.820 0 1 HKAF CN1CCC[C@H](c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)C1 40980347 POYRSGAKCBVQQE-QFIPXVFZSA-N 422.661 5.985 0 1 HKAF CSc1nc2ccc(NC/C=C/c3ccccc3)cc2c(=O)n1Cc1ccccc1 49125937 VMIJGQFUANOIAC-MDWZMJQESA-N 413.546 5.292 0 1 HKAF COc1ccc(Oc2c(N3CCCCC3)cnn(-c3ccc(C(C)C)cc3)c2=O)cc1 66136632 WYJQRSZENMPIKY-UHFFFAOYSA-N 419.525 5.147 0 1 HKAF FC(F)(F)c1ccc(Cn2c(-c3ccc(C(F)(F)F)cc3)nc3ccccc32)cc1 73196130 YVYXTHGQLJKDEG-UHFFFAOYSA-N 420.356 6.789 0 1 HKAF C[C@@H](CCc1ccccc1)Nc1cc(Oc2ccc(C(=O)c3ccccc3)cc2)ncn1 82067651 IMWZIXHISVJXNC-FQEVSTJZSA-N 423.516 5.933 0 1 HKAF COc1cc2nc(NCCCCc3ccccc3)nc(NCCC(C)C)c2cc1OC 82130582 KNEXBSBLVATQKG-UHFFFAOYSA-N 422.573 5.540 0 1 HKAF CCCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 82145060 HAQWXGIWOXBEKK-TZEULACYSA-N 420.601 5.465 0 1 HKAF COc1ccc(-c2ccc(-c3cccc(NC(=O)CNC(=O)OC(C)(C)C)c3)o2)cc1 82150801 UUHQKSLVCMMWPW-UHFFFAOYSA-N 422.481 5.085 0 1 HKAF Cc1cccc(Nc2nc3cc(C(N)=O)ccc3n2Cc2cccc3ccccc23)c1 82191402 RVOBKDLQFBQNEG-UHFFFAOYSA-N 406.489 5.389 0 1 HKAF C[C@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c3cccc(Cl)c3)c2c1 95555505 WKRMQQQULWOWMC-LBPRGKRZSA-N 412.272 5.978 0 1 HKAF Cc1nn(C(=O)c2ccc(Cl)cc2Cl)c2c1nnc1cc(Cl)c(F)cc12 95561323 LVADZTADKHGSGB-UHFFFAOYSA-N 409.635 5.076 0 1 HKAF COc1cc(/C=C/C(=O)Nc2ccccc2)cc(-c2ccc3cc(OC)ccc3c2)c1 96174255 RMOVSNYTMBTHHA-MDWZMJQESA-N 409.485 6.176 0 1 HKAF O=C(O)CCC/C=C/C[C@@H]1[C@@H](COCc2ccccc2)[C@@H]2C[C@]1(c1ccccc1)CO2 100757789 ZREITZXFTXLALN-HETJLHQQSA-N 420.549 5.377 0 1 HKAF C[C@H]([C@H](O)CCC1CC1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118932649 HNXXYUFJNVUPGA-HRWKPJRUSA-N 400.647 6.114 0 1 HKAF O=C1CCC[C@@H](c2ccccc2-c2ccccc2)N1Cc1cccc(-c2ccccc2)c1 215902405 FQRZZXXWKKMRLD-LJAQVGFWSA-N 417.552 7.274 0 1 HKAF CCOc1ccc(-c2n[nH]c3c2Cc2cc(CN[C@H]4CC[C@H](C)CC4)ccc2-3)cc1 253661004 WLEJAHJUBGRVNA-CYWCHRQTSA-N 401.554 5.715 0 1 HKAF COc1cccc(CNCCCCc2cn(-c3ccc(F)cc3)c3ccccc23)c1 299828029 GPHBPIQYQUMRNP-UHFFFAOYSA-N 402.513 5.891 0 1 HKAF Nc1cccc(-c2cccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2)c1 586987250 LUSFRWRCFMXYCD-UHFFFAOYSA-N 414.464 6.068 0 1 HKAF OCCc1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 587011218 MKURMFWNZGKSEO-UHFFFAOYSA-N 406.532 5.865 0 1 HKAF Clc1cccnc1-c1nc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cs1 587016851 CYWRWMYOTOQCPL-UHFFFAOYSA-N 420.950 6.553 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cnc3ccccc3c2[nH]1)c1cccc(Cl)c1 587071387 LXMPEQHURVFFBU-GOSISDBHSA-N 422.916 5.573 0 1 HKAF Oc1nc(S)nc2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc12 587074157 UCMOYZFRYCWSBC-QINSGFPZSA-N 408.914 5.174 0 1 HKAF Cc1ccc2c(ccc3nc(-c4cc(-c5ccc(C)o5)nc5c(Cl)cccc45)[nH]c32)n1 587083440 UMZWWNAPAHCWHA-UHFFFAOYSA-N 424.891 6.857 0 1 HKAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cncc(Cl)c2[nH]1 587121538 FNGMBVIRWGIACO-UHFFFAOYSA-N 410.808 5.609 0 1 HKAF CCS(=O)(=O)c1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1 587162445 BFISVZNPGUNJSW-ATVHPVEESA-N 412.511 5.146 0 1 HKAF C[C@]1(C2(c3ccccc3)CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348943 BAXBJBRZRDEEGJ-AHWVRZQESA-N 416.492 6.161 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(O)cc(O)nc2CC3)c1 587363207 OXRZQVDWQXYPID-UHFFFAOYSA-N 410.429 5.228 0 1 HKAF COc1cccc(-c2c(C3CCCCC3)c(C(C)(C)C)nc3c2oc2ccccc23)c1 587364805 DUVJNTGMMVHENU-UHFFFAOYSA-N 413.561 8.002 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Oc3cccc(C)c3C)nc3ccccn13)O2 587394709 ZGNUQTDEMJDRHC-OAQYLSRUSA-N 413.477 5.341 0 1 HKAF CCCc1c(O)ccc2c1OC1(CCN(c3ccccc3C(F)(F)F)CC1)CC2=O 587463518 BIPCWAZRVGOELT-UHFFFAOYSA-N 419.443 5.368 0 1 HKAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1 587524328 MMIIGDDKOVYHHG-VWLOTQADSA-N 414.501 5.860 0 1 HKAF O=C1C[C@@](C[C@H]2CC[C@@H](C(=O)O)C2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587529152 JTUCPICUOFTYBU-RYGBOPQRSA-N 404.506 5.317 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(F)cc2)cc1 587567412 AGCIROFEDSYWFH-JYFHCDHNSA-N 412.416 5.901 0 1 HKAF Cc1cccc([C@]2(c3ccccn3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587588230 PTPRLGRBGIFEHH-ZEQKJWHPSA-N 409.441 5.001 0 1 HKAF CC[C@H](C)c1ccc(OC)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587594918 PWUKNYNVBPJXDF-JCVZSFDNSA-N 404.462 5.617 0 1 HKAF CC[C@@]1(C23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604147 UPMQEHQHSBVAJG-ALHNQMNISA-N 404.506 5.719 0 1 HKAF Cc1c(C)c(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1C 587604346 VMEQOLXVNGRZQQ-ZEQKJWHPSA-N 402.490 5.811 0 1 HKAF COc1ccc(Br)cc1-c1[nH]c2c(C)cc(Cl)cc2c1CC(=O)O 587623230 ATSAZWSBNDRQOB-UHFFFAOYSA-N 408.679 5.195 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(C(=O)C(F)(F)F)c2c1 587640815 JKLRMUUDAXDGQQ-NSHDSACASA-N 424.260 6.856 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3cccc(Cl)c3)c2)N1 587700009 LFVMEYCXRLBCRU-JEOXALJRSA-N 420.713 5.051 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OCC2CC2)N1 587701165 WOMBSVRFEXMYET-GIPWTMENSA-N 424.741 5.654 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](C)C(F)(F)F)N1 587710596 TVSYFCFFSUGWPS-FMTVUPSXSA-N 416.256 5.564 0 1 HKAF CC[C@]1(c2cc(F)c(F)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587715640 IJFKFZXNICJIFS-DYBLOJMWSA-N 402.229 5.193 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(F)cc3)cc2)N1 587729706 DBHYQECYXCSIIH-DMZKTXOQSA-N 414.293 6.018 0 1 HKAF Cc1ccc(C)c(-n2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 587754062 KKTMMWTXVNYPEV-IVZQSRNASA-N 413.334 5.619 0 1 HKAF CCCCCOc1cc2nc(-c3cc(C=O)ccc3OC)[nH]c2cc1Br 587787307 NGSYIUKKFDAZIA-UHFFFAOYSA-N 417.303 5.383 0 1 HKAF CC[C@@]1(c2ccc(OC(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587791236 JPHNVDDKHXQOGY-QKKBWIMNSA-N 406.339 5.563 0 1 HKAF CCCCCOc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587792403 KVFRRIJLPXPUHA-IVZQSRNASA-N 420.366 5.955 0 1 HKAF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(C)C 587798263 ZBUQZDBXXDFICP-YUNKPMOVSA-N 408.311 5.008 0 1 HKAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)(C)C 587807849 OBRSFOIWRTVYIM-MPBGBICISA-N 406.339 5.518 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc3ccccc3o2)(C(C)(C)C)N1 587828422 NHTLOHSYZOHWHU-XMHCIUCPSA-N 416.334 6.158 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C3CCCCC3)s2)N1 587846142 GTEFFWQXWHUYDW-MPBGBICISA-N 408.380 6.321 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccc(OC)cc2s1 587861235 OAHSIHOXQZVSFM-UHFFFAOYSA-N 420.321 5.863 0 1 HKAF COc1ccc(/C=C/Cc2nc3cc(Br)c(C)c(C)c3[nH]2)c(OC)c1 587928352 DPYLZBUWZCTWFU-AATRIKPKSA-N 401.304 5.215 0 1 HKAF Fc1cc2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2cc1Br 587950466 QZZFTKKAWLYJSR-KHPPLWFESA-N 409.258 6.427 0 1 HKAF C/C(=C\c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C1CCCCC1 587969577 ZTGMMCDLGHYLCR-JXMROGBWSA-N 403.242 6.208 0 1 HKAF C[S@](=O)c1ccc([C@@H](CC2CCCC2)c2[nH]c3ncccc3c2C=O)cc1Cl 653780435 CHBZCDLDPNYPDM-UULLZXFKSA-N 414.958 5.478 0 1 HKAF CC[C@@H](C)[C@]1(c2ccccc2OC)NC2(CC2)Cc2ccc(Br)cc21 961613758 HSSVPMQPBMXMMG-IVZQSRNASA-N 400.360 5.426 0 1 HKAF Cc1ccc([C@]2(C)c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)c(F)c1 961773087 DBGBVIYOJVRSIE-VWLOTQADSA-N 410.533 5.549 0 1 HKAF O=C(O)[C@@H]1CCC[C@H](C[C@]2(c3ccccc3)NCCc3c(Cl)cc(Cl)cc32)C1 963101442 AZQBOLVQUPXPAW-NXHTTZLHSA-N 418.364 5.664 0 1 HKAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](C2=C(Sc3ccccc3)CCCC2)N1 963228696 IHQMRCYYWNZDOP-LADGPHEKSA-N 416.546 5.495 0 1 HKAF CCOC(=O)c1ccccc1Nc1c(Cl)cc(-c2c(C)noc2C)cc1Cl 1857552981 DQBWPFCREBCEMT-UHFFFAOYSA-N 405.281 6.186 0 1 HKAF C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3ccccc32)C1 1857565779 WLAFBYGAHKPYGK-OAQYLSRUSA-N 423.516 5.845 0 1 HKAF C[C@@H](Oc1cncc(-c2cnc(N(C)C)nc2)c1)c1c(Cl)ccc(F)c1Cl 1857656684 JCCKMFUWIMHBHD-LLVKDONJSA-N 407.276 5.191 0 1 HKAF CC1(C)C(=O)CC[C@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2C[C@H]2O[C@@H]3CC[C@@](C)(O3)[C@@H]3CC[C@]1(C)[C@@H]23 2356422860 VUSLQOQDDBPUTM-PHVBHKDQSA-N 414.630 6.145 0 1 HKAF CC(C)=CCCC(C)=CCC[C@@]1(C)Oc2c(C=O)c(C)c(Cl)c(O)c2C[C@@H]1O 2356524512 HOTIAVDHASTISG-WMZHIEFXSA-N 406.950 5.694 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CCC2=C3CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356585188 GXGUDXDDESQQQQ-JUMCRETFSA-N 412.702 8.089 0 1 HKAF COC(=O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCCCCCc4ccccc4)[C@@H]4C=C[C@@H]1[C@H]2[C@H]43 2356694970 OVQNZDVEWYMACH-LWEHDTGCSA-N 404.594 6.229 0 1 HKAF CC(C)(C)C1CCC(CN2C(Nc3ccccc3)=NC[C@@H]2Cc2ccccc2)CC1 61959462 VXEVNEODGFIABW-RVMZIBIISA-N 403.614 6.234 0 3 HKAF CN(C)c1cccc(Nc2cc3c(cn2)cc(-c2ccccc2)n3Cc2ccccc2)c1 205209346 LKTZVTZYUHQDPZ-UHFFFAOYSA-N 418.544 6.561 0 3 HKAF CCc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc32)cn1 589070 QBUJZYLJDSBJKB-UHFFFAOYSA-N 408.889 5.388 0 1 HKAF CC[C@@H](C)NC(=O)c1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CCCCC1 736751 SCHLTXWIUIDVOM-MRXNPFEDSA-N 413.949 5.111 0 1 HKAF CCC/C=C/C[C@@H]1C/C=C/C=C(C)/C=C/C=C\[C@@H](O)C/C=C(C)/C=C/C=C/C(=O)N1 3949020 UMYFIUGQWGBKLX-HQQCRONTSA-N 407.598 6.046 0 1 HKAF CC(=O)c1cc2c(o1)c(C(=O)CC(C)C)c(O)c1c(-c3ccccc3)cc(=O)oc12 15122201 GLUBUPWDAFKDCB-UHFFFAOYSA-N 404.418 5.343 0 1 HKAF biogenic Cc1cccc(C)c1C(OC[C@H](O)CN1[C@H](C)CCC[C@H]1C)c1c(C)cccc1C 28222351 HQNAZSBHKFCMGR-WXFUMESZSA-N 409.614 5.650 0 1 HKAF CC(=O)Oc1ccc(-c2c(C)c3cc(OC(C)=O)ccc3n2Cc2ccccc2)cc1 28766901 FNBPOOHJNQDZQR-UHFFFAOYSA-N 413.473 5.516 0 1 HKAF Fc1ccc(-c2noc(CCCNc3nc4ccc(Cl)cc4s3)n2)c(Cl)c1 40973712 XABIDAQFJJMTAS-UHFFFAOYSA-N 423.300 5.837 0 1 HKAF C[C@@H]1CN(Cc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)cc2)C[C@@H](C)O1 45230554 QQRFBSODQBDHOJ-QZTJIDSGSA-N 415.512 5.645 0 1 HKAF CC(=O)N1N=C(Nc2nc3ccc(Cl)cc3s2)C[C@H]1c1ccc(Cl)cc1 45258812 APNHUIAOJRTFEF-HNNXBMFYSA-N 405.310 5.322 0 1 HKAF COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)ssc2=S)cc1 59100771 OCRLIMWKNGOHAO-UHFFFAOYSA-N 406.550 5.907 0 1 HKAF Fc1cccc(-c2nc(Nc3cccc(Br)c3)c3cc(F)ccc3n2)c1 72112328 LZNZOCIMTGMFNT-UHFFFAOYSA-N 412.237 6.081 0 1 HKAF CN(C)C(=O)C(C)(C)[C@H](c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1 72116955 RMMKCNRVMPRUQW-DEOSSOPVSA-N 412.537 5.484 0 1 HKAF CCCC[C@@H](c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCC[C@H]1C 73220564 ZGPMBWMVYGOTRT-LXFBAYGMSA-N 404.642 7.055 0 1 HKAF O=C(N1CCCCC1)N1CC(O[C@H](c2ccc(Cl)cc2)c2ccccc2Cl)C1 73275762 KOGILAIJMSNWDT-OAQYLSRUSA-N 419.352 5.390 0 1 HKAF CN(C(=O)c1cnc(NCc2ccccc2)nc1-c1ccc(F)cc1)C1CCCCC1 82140228 BSOJURVZVJIFOG-UHFFFAOYSA-N 418.516 5.300 0 1 HKAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2cccc(C)c2)C1 82145668 OATQFTOAGDZMEU-VQTJNVASSA-N 420.601 5.847 0 1 HKAF Cc1ccccc1-c1nc(NCCOc2ccccc2)ncc1-c1nc(C)c(C)o1 82177360 LLLNQUBFGPWGQB-UHFFFAOYSA-N 400.482 5.215 0 1 HKAF Cc1ccccc1-c1nc(NCCc2ccccc2F)ncc1-c1nc(C)c(C)s1 82177574 ZTLKGIPEGZIQCI-UHFFFAOYSA-N 418.541 5.986 0 1 HKAF C(COC(c1ccccc1)c1ccccc1)=C1C[C@H]2CC[C@H](C1)N2Cc1ccccc1 100937768 FENDTBMFHNEILH-VSGBNLITSA-N 409.573 6.546 0 1 HKAF CC[C@](C)(CCC[C@@H](C)CCCC(C)C)CC[C@@H](C)CCC[C@@H](C)CCCC(C)C 102191899 BMQOPLQIXUYINH-GCXHJFECSA-N 422.826 11.084 0 1 HKAF COc1ccc(-c2nc(SCCN(C3CCCCC3)C3CCCCC3)n[nH]2)cc1 103219850 VDXYLPPOJYKFBA-UHFFFAOYSA-N 414.619 5.540 0 1 HKAF CCCN(CCC)c1cc2[nH]c(C3CCCCC3)nc2cc1NC(=O)c1ccccc1 103255782 GFHUTVWVKMQYDK-UHFFFAOYSA-N 418.585 6.489 0 1 HKAF CC(C)C[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 119290267 FHSVMYDBGPVTTJ-WRSVQBCCSA-N 420.678 5.410 0 1 HKAF in-man C[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@@H]1C[C@H]1C 137556630 DSCWSZBNGFQSCJ-RNFVLPFXSA-N 414.718 7.715 0 1 HKAF O[C@H](c1cc(-c2ccc(Cl)cc2)cc2c(Cl)cc(Cl)cc12)[C@H]1CCCCN1 169332351 RALABFFVMWGRQU-FGZHOGPDSA-N 420.767 6.643 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)CCCCC(=O)O)CC[C@@]43C)[C@@H]1CCC2=O 215490687 DRNFCPQEVRMNJH-DFRSGRCKSA-N 416.558 5.075 0 1 HKAF CC(C)[C@]12CC[C@H](C)[C@H]1[C@]1(C)CC[C@H]3C(=CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@@]1(C)CC2 255256558 OUOKFSJISOOKJO-ZYAMBMTRSA-N 424.713 8.233 0 1 HKAF O=[S@@](c1ccc(Cl)c(Cl)c1)c1c(O)c(-c2cccnc2)cc2ccccc12 299838808 RETMFBLVLUQPQI-MHZLTWQESA-N 414.313 6.081 0 1 HKAF O=C(c1ccc(NC2CCCCC2)c(Cl)c1)N1CCC(N2CCCCC2)CC1 299869375 UOOMCNDRKNWBRE-UHFFFAOYSA-N 403.998 5.175 0 1 HKAF Cc1cc(Br)cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587016600 YXKNDBZUBLZDLG-UHFFFAOYSA-N 412.312 5.359 0 1 HKAF Clc1cc(Cl)cc(-c2cncc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c2)c1 587067701 LSIRVYONSREEES-UHFFFAOYSA-N 410.091 6.301 0 1 HKAF COc1cc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2cc1F 587081962 AEMQXNBFWOCILE-UHFFFAOYSA-N 419.843 5.952 0 1 HKAF CCOC(=O)c1nc2c(C)ccc3c2c(c1Cc1ccccc1)-c1ccccc1C3=O 587096154 HEBBHUFUFJWGGE-UHFFFAOYSA-N 407.469 5.522 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4cc5c(cc4[nH]3)OCCCO5)ccc2F)cc1 587139405 INESMQOAMIHNKP-UHFFFAOYSA-N 402.425 5.400 0 1 HKAF CC[C@H](Oc1ccccc1F)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587154507 CRAWDARDBDGJQT-LBPRGKRZSA-N 417.200 6.013 0 1 HKAF Fc1ccc(/C=C(\c2nc3cc(Br)cc(F)c3[nH]2)c2cccs2)cc1 587163084 GKDVWJBRPKZHRA-ZSOIEALJSA-N 417.278 6.254 0 1 HKAF Cc1c(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc(-c2ccc(F)cc2)n1C 587166391 YMADYKDEHGRWGQ-UHFFFAOYSA-N 419.685 5.494 0 1 HKAF Cc1cc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cc1Br 587226489 QRZFELNLJKRILP-MRXNPFEDSA-N 408.340 5.390 0 1 HKAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(Br)cc3[nH]2)c1 587240848 PVMAASAZNLZURT-UHFFFAOYSA-N 404.264 5.045 0 1 HKAF CO[C@H](C)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587346522 JETAWSAONKBNPV-JQRIVJTKSA-N 406.453 5.513 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2C2CCCCC2)[C@H]1c1ccc(F)cc1 587347481 AZAVSUQZADAKJY-CWDLOFLHSA-N 408.513 6.400 0 1 HKAF COc1cccc(-c2cc(CCc3ccc(F)c(F)c3)nc3c2oc2ccccc23)c1 587361348 YHKQJXYRQJCNBH-UHFFFAOYSA-N 415.439 6.720 0 1 HKAF CCOC(=O)[C@@H]1C[C@@H](C)Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587362634 LKODRZNVDYACFB-MGPUTAFESA-N 415.489 5.886 0 1 HKAF COC(=O)C[C@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)[C@@H]1C 587362928 MWWHTIGNQOPXIL-GDBMZVCRSA-N 401.462 5.496 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(C(F)(F)F)ccc1F)O2 587380163 BWUXTCPJBLGIAJ-QFIPXVFZSA-N 415.386 5.644 0 1 HKAF CCCc1c(O)ccc2c1OC1(CCC(C(C)(C)C3CCC(=O)CC3)CC1)CC2=O 587480364 JPRXSAXFMNFKLM-UHFFFAOYSA-N 412.570 6.024 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc3ccccc3c1)CC2=O 587491414 VJMPOVUIAQIYEY-VWLOTQADSA-N 404.462 5.223 0 1 HKAF CC(C)(C)OC(=O)n1ccc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587513476 ACOOFKLBTCYDMZ-QHCPKHFHSA-N 417.505 6.010 0 1 HKAF COc1ccc(Oc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 587521436 CAWXFXWFRATYFT-MHZLTWQESA-N 414.501 6.247 0 1 HKAF CCc1ccccc1-n1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587577037 LPLSTBPBRDMHGJ-OZXSUGGESA-N 411.457 5.448 0 1 HKAF Nc1ccccc1[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587579765 PFTUJTLLKFLRKL-RPLLCQBOSA-N 423.468 5.074 0 1 HKAF CC(C)c1ccc([C@@]2(C(C)(C)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587613332 YNXPXQRNJJVUQD-ATIYNZHBSA-N 418.489 5.144 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2cccs2)n1 587614214 RUAHPWGCMVXHHY-XLIONFOSSA-N 407.472 5.280 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccccc3Br)c2c1 587642489 SLOZCFBLFVKGFG-LLVKDONJSA-N 424.260 6.694 0 1 HKAF CC[C@H](C)n1nc(C)c(Cl)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587694265 GLHVRDPJSJEUQQ-KEYDSSBGSA-N 414.750 5.341 0 1 HKAF Cc1cc(Cl)cc2c1OCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587697089 LOCUWWKIKXZVGV-JEOXALJRSA-N 410.714 5.110 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)(F)F)c(F)c2)N1 587723234 WABYFOMRUBHWJD-VPTHRUTESA-N 422.191 5.250 0 1 HKAF CC[C@@]1(C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2ccc(F)c(Br)c21 587814680 IBPLOYVMWHQDDI-JVRBXRCWSA-N 406.383 5.944 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccccc1CCc1ccccc12 587825797 FLSRWAPSKJEKMU-OAHLLOKOSA-N 422.341 5.513 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cncc(Cl)c2[nH]1 587948665 HVPGBHQHEPOVIW-QEEYODRMSA-N 411.933 5.896 0 1 HKAF CC[C@H](c1cccc(OC)c1)[C@@]1(CC)c2ccsc2CCN1Cc1cccn1C 962378274 YFVLKCYEKPKGKL-RDGATRHJSA-N 408.611 5.953 0 1 HKAF COc1ccc2c(c1OC)[C@](c1ccc(Cl)cc1)(c1ccccc1C)N(C)[C@@H](C)C2 962568904 LLACHXBTGDSIMO-QYBDOPJKSA-N 421.968 5.834 0 1 HKAF COc1cccc2cc3c(nc12)[C@@H](c1cc(F)ccc1OCc1ccccc1)NCC3 963054524 HUCCFFJAXQPBSE-AREMUKBSSA-N 414.480 5.197 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCc1cccc(Br)c1)C1CC1 963236125 XLOVDXNLOHMZDG-UUOWRZLLSA-N 412.415 6.344 0 1 HKAF Cc1cc(Nc2nc3ncn(-c4c(C)cccc4Cl)c(=O)c3s2)cc(C)c1C 1857587379 NYNIABLAAZLEHH-UHFFFAOYSA-N 410.930 5.473 0 1 HKAF CCCCCC=CCC=CCCCCCCCCCCCC(=O)OC(CO)CO 2356315666 PFISEVUKDJTNGO-UHFFFAOYSA-N 410.639 6.257 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356330174 HAUSGVBENZHLGK-NVLYETHJSA-N 412.746 9.300 0 1 HKAF COC(C)(C)CCCC(C)=CCOc1cc(O)c2c(c1)Cc1cc(C)cc(O)c1C2=O 2356333764 VQCWKJINHIKPIZ-UHFFFAOYSA-N 424.537 5.462 0 1 HKAF O=C(O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCCCc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@H]1[C@H]2[C@@H]43 2356570828 XCPLQXFRKHDBSP-LWAXYYRXSA-N 406.522 5.089 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@]34C[C@H](CC[C@H]32)[C@](CO)(OC)C4)C1(C)C 2356672705 URSQOXNVGMLBOM-POYFBTDASA-N 418.618 5.285 0 1 HKAF Cc1ccc(F)c([C@H]2[C@@H]3C=CC[C@H](c4ccccc4)[C@@H]3C(=O)N2Cc2ccccc2)c1 13661911 JKQUHEGFTUFCCP-JUIYCPNDSA-N 411.520 6.194 0 3 HKAF Cc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2Cc2ccsc2)cc1 95598853 RHAAZUYJJXVZNN-UHFFFAOYSA-N 406.860 6.634 0 3 HKAF Cc1cc(Nc2cccc(C(F)(F)F)c2)cc(=O)n1-c1cccc(C(F)(F)F)c1 95604810 GGEHKXBFFMZRHR-UHFFFAOYSA-N 412.333 5.927 0 3 HKAF COC(=O)c1cc([C@@H](c2ccccc2O)[C@@H]2CCCO2)n2cccc(C(C)(C)C)c12 201482535 VEKHOGXHVCKJSG-FCHUYYIVSA-N 407.510 5.040 0 3 HKAF C[C@]12CCC=C[C@@H]1[C@@H](c1ccc(Br)cc1F)N(Cc1ccccc1)C2=O 13830288 VLYJICXLKPVNJX-UZKOGDIHSA-N 414.318 5.644 0 1 HKAF CCCCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 26717386 ANRBLZZRYMCUQR-UHFFFAOYSA-N 413.901 5.186 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@](C)(C[C@H](O)C3=CC(=O)O[C@@H]3O)CCC[C@@]21C 26964063 JSDANYFQRXTLHP-IEJBPMCOSA-N 406.607 5.224 0 1 HKAF Nc1cc[n+](CCCCCCCCCCCCCCCC[n+]2ccc(N)cc2)cc1 28646440 BKWZSKDREXZHMY-UHFFFAOYSA-P 412.666 5.588 0 1 HKAF CCCCc1ccc(-c2ccc3c4c([nH]c3c2F)-c2ccc(C(=O)O)cc2CC4)cc1 34894270 INVHKKQZPYHSEW-UHFFFAOYSA-N 413.492 6.780 0 1 HKAF O=C(Nc1sc(-c2ccccc2)nc1-c1ccccc1)c1ccc(C(F)(F)F)cc1 35271274 ZJUDNYIPUBDXSG-UHFFFAOYSA-N 424.447 6.748 0 1 HKAF CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)OCc2ccccc2)c2ccccc21 49785105 SGMQSXYNZSKAJM-DFBJGRDBSA-N 414.505 5.716 0 1 HKAF CCCCCC1=NN(C(=O)Nc2ccccc2C(F)(F)F)C[C@@H]1c1ccccc1 62225241 DHKBUQJFWQNVSS-QGZVFWFLSA-N 403.448 6.273 0 1 HKAF Clc1ccc2nc(-c3ccc(N4CCCCC4)cc3)c(NC3CCCCC3)n2c1 73297183 CYZCTDZJYYJZCE-UHFFFAOYSA-N 408.977 6.390 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 78937957 UXFVRWPSABSGRQ-CHPKHVSRSA-N 402.663 6.360 0 1 HKAF in-vitro CC(=O)Nc1cccc(Oc2cncc(NC3CCCCCCCCCCC3)n2)c1 82068919 GEXQSPQIRYCSKS-UHFFFAOYSA-N 410.562 6.313 0 1 HKAF COCCCNc1ncc(-c2ncc(C)o2)c(-c2ccc(-c3ccccc3)cc2)n1 82176315 YFUORPKRHHQNQP-UHFFFAOYSA-N 400.482 5.222 0 1 HKAF C[C@@H](CNc1ncnc2c1nc(C1CCCCC1)n2C[C@H]1CCCO1)c1ccccc1 82188288 NPXANKNPHOACGX-GHTZIAJQSA-N 419.573 5.269 0 1 HKAF CC1=C(O)/C(=C/[C@@H](C)/C=C/C=C(\C)CCCc2coc(Cc3ccoc3)c2)OC1=O 102015879 CEXOYSUPLKGFML-ZHJAADBVSA-N 408.494 6.197 0 1 HKAF C[C@H]1CC[C@@H](NCc2ccc3c(c2)Cc2c(-c4ccc5cc(O)ccc5c4)n[nH]c2-3)CC1 253652233 WXOUUHFONNXGKO-LBEPJEHYSA-N 423.560 6.175 0 1 HKAF Cc1ccc(Cn2nc3c4ccccc4n(Cc4cccc(F)c4)cc-3c2=O)c(C)c1 299827210 NZIQHJHPCLVQLZ-UHFFFAOYSA-N 411.480 5.155 0 1 HKAF C[C@@H](SCc1ccccc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586963450 NYYJGWMAEUOVBW-SNVBAGLBSA-N 415.278 6.339 0 1 HKAF Cc1cc(Br)cnc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987034 XWIYRCXGXLWGEP-UHFFFAOYSA-N 417.262 5.285 0 1 HKAF Cc1ccc2c3c(cc(/C(=C\N(C)C)c4ccc(Cl)cc4)nc13)-c1ccccc1C2=O 586993715 PZCXGSNYKKLYGY-HAHDFKILSA-N 424.931 6.359 0 1 HKAF CCCCNc1nc(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)s1 586994480 UNHGRDUPWPULJK-UHFFFAOYSA-N 415.518 5.796 0 1 HKAF Fc1cc2[nH]c(-c3cc4ccc(Br)cn4c3)nc2cc1Br 587007047 WVWKCTVNJGJMAZ-UHFFFAOYSA-N 409.056 5.147 0 1 HKAF Clc1ncc(Br)c2nc(-c3ccccc3OCc3cscn3)[nH]c12 587028889 BACGEIJISTXSBV-UHFFFAOYSA-N 421.707 5.076 0 1 HKAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 587050464 OJUTVIJAVKXBRJ-UHFFFAOYSA-N 421.728 5.879 0 1 HKAF Fc1cnc(Br)c2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc12 587051336 SAMVPROMZWPIKC-NKWVEPMBSA-N 401.066 5.437 0 1 HKAF Fc1cc(Cl)cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587070233 HHFJQAWAAWGULC-TWGQIWQCSA-N 413.279 6.758 0 1 HKAF Fc1cc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2cc1C(F)(F)F 587075587 FHCOJDLTHHSHOG-UHFFFAOYSA-N 410.758 5.209 0 1 HKAF CC(C)c1c(-c2cccc(C(F)(F)F)c2)nc2cccc3c2c1-c1ccccc1C3=O 587102713 DUIRXZGHXUZXGA-UHFFFAOYSA-N 417.430 7.255 0 1 HKAF Cc1ccc(/C=C\c2nc3c(Br)cnc(Br)c3[nH]2)cc1F 587146357 JIPGRNUFSBOAAA-PLNGDYQASA-N 411.072 5.101 0 1 HKAF C[C@H](Oc1ccc(F)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587168752 LDRDMQYMLKBFDX-QMMMGPOBSA-N 403.173 5.623 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587196225 UUECZJAOKODDEV-UHFFFAOYSA-N 423.410 6.068 0 1 HKAF O=C(c1cccc(Oc2ccccc2)c1)c1c(CO)oc2cc(Br)cnc12 587275596 DWSVJMHSTHVXHF-UHFFFAOYSA-N 424.250 5.106 0 1 HKAF COC1=C(Br)c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587359548 ZCLKUFOQGBBBEQ-UHFFFAOYSA-N 422.278 5.923 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(Cl)c(F)c3)cc1)CC2=O 587468936 ZERKVQNJFPZRPU-HSZRJFAPSA-N 410.872 6.511 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1Cc1ccc([C@H](C)C(=O)O)cc1)CC2=O 587492688 YBOCGXWPDLBYDQ-DOUBQNQPSA-N 422.521 5.280 0 1 HKAF CC(C)(C)OC(=O)NCCc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587513268 RGIONYMNTMDEJB-QHCPKHFHSA-N 421.537 5.339 0 1 HKAF C[C@@H]1N(C(c2ccccc2)c2ccccc2)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517671 RVFZELLPBYKTDH-AFJIDDCJSA-N 423.556 5.763 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1cccc(C(F)(F)F)c1 587543290 BNDXWOHHZXVSCK-AZUAARDMSA-N 414.379 5.374 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(c1ccc(Cl)cc1)CC2 587552031 MKYYXMOTVGHGCT-ADUWNVSDSA-N 420.892 6.104 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1cc(F)ccc12 587572519 VSCWEYQYBAFOKV-JYFHCDHNSA-N 410.400 5.417 0 1 HKAF CCCCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587580060 WWNNSMKCDXZXJZ-ZEQKJWHPSA-N 413.473 5.850 0 1 HKAF Cc1ccc(C)c(-c2n[nH]cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587592316 XZGXPYQOQQPDQP-PXDATVDWSA-N 412.445 5.102 0 1 HKAF Cc1c(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c(C)c1C=O 587604614 XKVGTWPVVSVANY-RCZVLFRGSA-N 402.446 5.141 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccccc2)o1 587615842 HRGRIGSUXPEWGG-XUZZJYLKSA-N 400.386 5.480 0 1 HKAF C[C@H](c1nc2ccccc2s1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616352 CBBGNJXQAAGCDT-UHXKVLTISA-N 417.486 5.526 0 1 HKAF O=C(c1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)F 587622311 JIIDBOWJCVHYRY-UHFFFAOYSA-N 408.177 5.061 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3ccc(C(F)(F)F)cc3)[nH]c12 587623922 BZBCXSIYMAGZOP-UHFFFAOYSA-N 405.725 6.561 0 1 HKAF O=C(O)[C@@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 587629211 YRHXRQNCPKMRIS-KRWDZBQOSA-N 414.263 6.497 0 1 HKAF Fc1ccc2[nH]c(C(F)(F)F)c(CCCCc3nc4ccccc4[nH]3)c2c1Cl 587629771 GYDWLAKKROASDV-UHFFFAOYSA-N 409.814 6.421 0 1 HKAF CC(C)[C@@]1(CCc2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587703722 ZKSCVVQPUHMUAG-SPLOXXLWSA-N 424.785 6.260 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)(F)F)c(Cl)c2)N1 587714568 VZVBDVOFOSMOHK-PWJLMRLQSA-N 422.647 5.884 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1C(F)(F)F 587714675 WNOTYEGTAWLLDR-QGHHPUGFSA-N 402.229 5.539 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SC(F)(F)F)cc2)N1 587714759 AWFWXICSPGKFRW-ABKXIKBNSA-N 420.269 5.824 0 1 HKAF Cc1cc(Br)cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587784377 RHQVTGPOTDAEHL-XFXZXTDPSA-N 419.322 6.383 0 1 HKAF COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)(C)C 587808111 OZPRMBCIFPRHMQ-MCMMXHMISA-N 420.366 5.692 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C=O)cc3)cc2)N1 587823900 SIEJWGLRRHGLTR-LFVRLGFBSA-N 424.313 5.691 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccccc3)o2)N1 587831712 YATRLSPRGVQEFR-YUNKPMOVSA-N 402.263 5.597 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ccccc3)n2)N1 587853693 QZDPIVJHFVLBBT-ADLMAVQZSA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccccc1F 587856231 UDVGNAUUXBDLRO-LBPRGKRZSA-N 423.271 5.502 0 1 HKAF Cc1nc(-c2ccncc2)sc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587857118 ZUKGZVOVBODSMH-QGHHPUGFSA-N 418.335 5.039 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2sccc2cn1 587861200 MXRGGGQCLNIXEZ-UHFFFAOYSA-N 418.305 5.554 0 1 HKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587951891 UXXPYDWYDQQWTD-JTQLQIEISA-N 403.226 5.897 0 1 HKAF Cc1ccccc1-c1cccc(COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)c1 653690531 SRSDPVWBXKRHAZ-QFIPXVFZSA-N 403.503 5.135 0 1 HKAF CC1(C)CCC(C)(C)c2cc3c(cc21)O[C@H]1CCCC[C@]31c1ccc(C(=O)O)c(F)c1 653738933 WUMXEFVHKYADBL-HOFKKMOUSA-N 422.540 6.494 0 1 HKAF Cc1ccc(C[C@@]2(c3ccc(C)cc3)NCCc3cccc(-c4ccccc4)c32)cc1 962673423 YOCOBYUYDDWCKB-PMERELPUSA-N 403.569 6.602 0 1 HKAF Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@]23NCCc2c(Cl)cc(Cl)cc23)cc1 963113195 VPOLIIVOKMZOKJ-LEWJYISDSA-N 424.393 5.059 0 1 HKAF Clc1cc(Cl)cc(CN[C@@H]2CCC[C@@H](c3nc4ccc(Cl)nc4[nH]3)C2)c1 1772602001 RYGMQGKMDCABQZ-IUODEOHRSA-N 409.748 5.734 0 1 HKAF Cc1cccc(Cl)c1C(=O)c1cn(-c2ccc(C(=O)O)cc2)c2cccc(F)c12 1857602878 RZNKIKMXUDTBDD-UHFFFAOYSA-N 407.828 5.661 0 1 HKAF Cc1cccnc1NC(=O)[C@H](C)c1ccc(Nc2ccnc(C(F)(F)F)c2)cc1 1857745689 OIIKNDIDIVAIBV-CQSZACIVSA-N 400.404 5.290 0 1 HKAF CCCC[C@H](NC(=O)c1cccc(C(F)(F)F)c1Cl)C12CCC(CC1)CN2C 1857757284 BKHAUGNLWSVPGW-WSGJVKOYSA-N 416.915 5.522 0 1 HKAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@@](C)(/C=C/c4occc4C)O[C@]3(C)CC[C@H]21 1911575837 IDJRJKPVBPHOEL-NNDNRCIPSA-N 414.586 6.325 0 1 HKAF c1ccc(-c2ccc(CNCCCOc3cccc4[nH]c5ccccc5c34)cc2)cc1 1911586673 URSSTNZHJLMPTL-UHFFFAOYSA-N 406.529 6.547 0 1 HKAF CC(=O)N(C)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 2356428959 DNVZSDMHLPWULM-CPKMAIDHSA-N 400.651 5.362 0 1 HKAF C[C@@H]1CC[C@]2(C)[C@H](C)CC[C@@H]3O[C@H]4C[C@]32[C@H]1C1=C4C(C)(C)c2cccc3[nH]cc1c23 2356471622 SQICKNKEYQBAKG-NUZQYKMASA-N 401.594 6.853 0 1 HKAF COc1ccc2c(=O)c3c(oc2c1)O[C@](C)(CCC=C(C)CC=CC(C)(C)O)[C@H]3C 2356685742 CVQADAXRSHREJQ-SSOJOUAXSA-N 412.526 5.500 0 1 HKAF COC1=CC(c2ccc[nH]2)=NC1=Cc1ccc(CCCCCCCCCCC(C)C)[nH]1 2356706414 DVJJVLQBPFYTPJ-UHFFFAOYSA-N 421.629 7.426 0 1 HKAF CC(C)[C@@H]1C[C@H]1C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356712505 FBHIUIDQPRBDHL-UDYUGGGJSA-N 400.691 7.325 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1[C@]1(C)CC(c2cccc(Cl)c2)=NO1 15937328 UAPMYHCNTUZWPA-FQEVSTJZSA-N 403.334 6.465 0 3 HKAF COc1cccc(-c2nc(NCCc3c[nH]c4ccc(OC)cc34)c3ccccc3n2)c1 4268314 HLCYIWXIGHWUSQ-UHFFFAOYSA-N 424.504 5.450 0 1 HKAF aggregator CC[C@H](C)Oc1c(C(=O)N[C@H]2CN3CCC2CC3)cc(Cl)cc1C1CCCCC1 13451303 SWXPKOBGSPXSSP-AOMKIAJQSA-N 419.009 5.389 0 1 HKAF Cc1nc2c(c(-c3ccccc3)nn2-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1 13585094 JPZJCDRKNJQPEC-UHFFFAOYSA-N 405.672 5.044 0 1 HKAF COc1ccc(CCCCCCNCCOc2cc(F)cc3c2O[C@@H](C)CC3)cc1 13780390 QEJMOIFWEGEFLQ-IBGZPJMESA-N 415.549 5.319 0 1 HKAF COc1ccc2c(c1CC=C(C)C)O[C@@H]1c3cc(CC=C(C)C)c(O)cc3OC[C@]21O 14780985 OOAXWUFECWLVEQ-FTJBHMTQSA-N 422.521 5.132 0 1 HKAF biogenic CCOc1ccccc1-c1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12 14961312 XYWQAMREXZFVOE-UHFFFAOYSA-N 400.413 5.256 0 1 HKAF Clc1ccc(O[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 14975479 ZSEJKLXYMYILHA-KRWDZBQOSA-N 402.108 6.317 0 1 HKAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC(C)C)[C@@H]1c1cccc(C(F)(F)F)c1 26826372 RDJPOCSFSZJJMV-CQGUWYRNSA-N 411.420 5.153 0 1 HKAF O=C(O)CC/C=C\C[C@H]1CO[C@@H](c2ccc(Cl)c(Cl)c2)O[C@@H]1c1cccnc1 27742533 IXVZMIJUOSLLMR-PNWAVUQYSA-N 422.308 5.602 0 1 HKAF Cc1cccc(CNC(=O)Oc2cccc(C(=O)c3nc4ccccc4s3)c2)c1 28710805 MFMMCZPUVBLVMS-UHFFFAOYSA-N 402.475 5.124 0 1 HKAF O=C(c1cccc(COc2c(Cl)cccc2Cl)n1)N1CCC[C@@H]2CCCC[C@@H]21 29049332 YEAFQKGRTAFYMI-YWZLYKJASA-N 419.352 5.762 0 1 HKAF O=C(N[C@@H](CC1CCCC1)C(=O)O)c1ccc(Cl)c(-c2ccc(Cl)cc2)c1 29215398 SOEASAYXBAMJGO-IBGZPJMESA-N 406.309 5.424 0 1 HKAF CCC(=O)C(CCCCCCOc1ccc(OC)cc1Br)C(=O)CC 32138822 GTITYVWOJXBJNI-UHFFFAOYSA-N 413.352 5.361 0 1 HKAF CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1CCCC 36294599 LDGBUSJKRUNXPK-UHFFFAOYSA-N 423.600 8.072 0 1 HKAF in-vivo CCCc1cc(OC)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2n1 36351930 TVBKXEOKCXABIN-KPKJPENVSA-N 414.427 5.867 0 1 HKAF COc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(Br)cc32)cc1 40876706 BHQGZMYIJIWWDI-INIZCTEOSA-N 421.360 5.047 0 1 HKAF c1ccc(OCCCOc2ccc(-c3cc4cc(C5=NCCN5)ccc4o3)cc2)cc1 43017687 XMNRRZSETUXGMT-UHFFFAOYSA-N 412.489 5.298 0 1 HKAF COc1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1 45254429 CHHRPKMGZRRHBF-KJYTXNCISA-N 416.609 5.776 0 1 HKAF Cc1n[nH]c2cc(Nc3nccc(Nc4ccc(Oc5ccccc5)cc4)n3)ccc12 45334623 NPIMYKALDXGLOH-UHFFFAOYSA-N 408.465 5.941 0 1 HKAF CSc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2)cc1 49114930 CQQSXLLCCNCGMN-JOCHJYFZSA-N 423.379 6.527 0 1 HKAF C[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](C)CO 66251598 HCQKGAYOZHKURE-TVBBQBQJSA-N 412.658 6.591 0 1 HKAF O=C(Nc1ccc(Oc2ccccc2)c(Cl)c1)c1cc(Cl)cc(Cl)c1O 72108477 SPLQUSYMPIWKMH-UHFFFAOYSA-N 408.668 6.397 0 1 HKAF CC[C@@H](NC(=O)c1ccc2c(c1)nc(C)n2Cc1cccc(Cl)c1)c1ccccc1 72183168 FZUXEORPSVSNHA-JOCHJYFZSA-N 417.940 5.928 0 1 HKAF C[C@H](NC(=O)CCN1CCC(c2ccccc2)CC1)c1ccccc1-c1ccccc1 73157863 LOEFXBVNFMJELM-QFIPXVFZSA-N 412.577 5.801 0 1 HKAF Cc1cccc(-c2nc(NCCc3ccc(F)cc3)ncc2-c2nc(C)c(C)o2)c1 82167382 QVEHRLWYURPDRA-UHFFFAOYSA-N 402.473 5.518 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)[C@H](O)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 96914248 HRNNLWVQJKXGNB-REKCHVTFSA-N 418.662 5.763 0 1 HKAF C[C@@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@H](C/C=C3/C[C@@H](O)CCC3(C)C)CCC[C@@]21C 100059662 ZGGYLFXNQDDBEC-AAODGDFXSA-N 418.706 7.284 0 1 HKAF in-vitro CCO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3)nn2[C@H]1c1ccc(F)cc1 103950384 YYSQOCVLCQALSN-HQMFNGAOSA-N 424.501 5.211 0 1 HKAF O=C(CC1CC1)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 169711131 WOCTZIGUHYMWQK-IQGASKDCSA-N 408.586 5.477 0 1 HKAF CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4[C@@H](C(=O)C[C@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@]12C 255266261 SPRHLFRSTKFUNU-SARXFFIUSA-N 424.713 8.233 0 1 HKAF FC(F)(F)c1cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2cc1Br 586883611 COVZTNVTAVOXJJ-UGSOOPFHSA-N 407.233 5.716 0 1 HKAF Cc1c(Br)cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1C 587008459 WFYXOLBXEJANMG-UHFFFAOYSA-N 420.108 5.248 0 1 HKAF COc1cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc(Cl)c1OCC(C)C 587045896 IXQGVLFTCGZGBW-UHFFFAOYSA-N 416.802 6.085 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]3c1ccc(C(F)(F)F)cc1 587103241 JGWASNABMXKIFX-GOSISDBHSA-N 401.387 6.153 0 1 HKAF CC/C=C/C[C@@H]1c2nc3cccc4c3c(c2C[C@@H]1CC(=O)OC)-c1ccccc1C4=O 587105976 CTDKYTATLLYGLI-FDRQBBGKSA-N 411.501 5.622 0 1 HKAF O=C(O)c1cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2cc1F 587141274 PKWQNHJFRWFGQJ-UHFFFAOYSA-N 414.408 5.638 0 1 HKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587247144 HUANFKRUQIORJM-UHFFFAOYSA-N 409.392 5.299 0 1 HKAF CC(C)[C@@]1(Cc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330499 FSKIJELYXKWNAT-UKILVPOCSA-N 408.444 5.667 0 1 HKAF CC1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2O1 587353883 NWVDMXMQOMHJTQ-WIOPSUGQSA-N 404.437 5.347 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]3c2ccccc2OC)c1 587362196 GMOYELPBKNHBIZ-FQEVSTJZSA-N 407.469 6.353 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccccc1Br)O2 587374963 AONNFVPARUEAII-QFIPXVFZSA-N 408.295 5.249 0 1 HKAF CC(=O)N(c1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1)c1cccc(C)c1C 587411583 DOGANNQRJFUALQ-OAQYLSRUSA-N 421.522 5.042 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Cl)c(Br)c1)CC2=O 587455913 HQOSCFDPSFIAJP-LJQANCHMSA-N 409.707 5.641 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cc(OCc3ccccc3)c1)CC2=O 587460119 FZCRZJDVZLWIRR-DEOSSOPVSA-N 422.908 6.284 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cccc(Cl)c3Cl)o1)CC2=O 587463154 VBBYTORWTKDPNK-FQEVSTJZSA-N 417.288 6.618 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(F)cc3)[nH]c3ccccc13)CC2=O 587472797 VGAGGZKJSBAYJT-HSZRJFAPSA-N 415.464 6.339 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C=O)c(O)c3)cc1)CC2=O 587480015 DSHPDEJQYAVUJO-DEOSSOPVSA-N 402.446 5.236 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Oc1ccc(-c3ccccc3)cc1)CC2=O 587480706 GCDSJZHIJJXDBY-MYUZEXMDSA-N 416.517 6.203 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1nc3ccccc3[nH]1)(c1cccs1)CC2=O 587495116 PBBWODKWGNVHKJ-XMMPIXPASA-N 418.518 5.386 0 1 HKAF O=C(O)CC[C@]1(c2cc(Cl)ccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587504991 KGMURZWNLUJXLE-JOCHJYFZSA-N 419.304 5.598 0 1 HKAF Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587528410 ZBHFLSMSBZFWAK-SANMLTNESA-N 421.540 7.037 0 1 HKAF Cc1ccc(N)c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587580146 QYHLPMHPKUMCHH-SHQCIBLASA-N 423.468 5.188 0 1 HKAF COc1ccccc1C[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587599641 HCWGSCDGPIHTQI-YPAAYVHUSA-N 416.473 5.144 0 1 HKAF COc1ccccc1-c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587599829 HWFZYOYUAJAXEX-IGKIAQTJSA-N 424.452 5.771 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccsc2)s1 587614725 SVXXGVPVIFLTJQ-PXNSSMCTSA-N 407.472 5.280 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(C(=O)C(F)(F)F)c2c1 587642716 PTEVJJXYIODGFV-NSHDSACASA-N 413.361 7.112 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccccc3Cl)CC2)N1 587694760 HVMLSCGJQKBWBZ-CYBMUJFWSA-N 423.757 5.272 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(C(F)(F)F)c2F)N1 587710703 HKELLQTTYSHIHC-HYORBCNSSA-N 424.182 5.509 0 1 HKAF Cc1cc(OC(F)(F)F)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587722986 UNZKFVYPBLJAKF-DYZYQPBXSA-N 418.228 5.419 0 1 HKAF Cc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587751791 ATPNLHYFWJTISJ-OYHNWAKOSA-N 413.334 5.619 0 1 HKAF Cc1cc(C)cc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587758440 XOBLSWULFMILDO-IVZQSRNASA-N 413.334 5.619 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(N3CCCCC3)c2)N1 587766344 NDXMJWSVZIYQAN-SPLOXXLWSA-N 403.339 5.202 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC3CCCCC3)nc2)N1 587772085 NIBVVRLQGYZADW-ASSNKEHSSA-N 419.338 5.318 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(-c3ccccc3)cc2)N1 587813902 QKVJQHTWTSSEEY-UPCLLVRISA-N 424.357 6.247 0 1 HKAF Cc1ccccc1-c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587817145 AHVBVCGIXFGZEH-NPMXOYFQSA-N 410.330 6.187 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C3CC3)oc3ccc(O)cc23)N1 587826630 FVPDDHLTYLKVFE-WVDJIFEKSA-N 416.290 5.541 0 1 HKAF COc1ccc2sc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587859080 VKBQFFUJNSKBDA-OVWNDWIMSA-N 406.320 5.435 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1ccc(C(F)(F)F)cc1 587868356 LJFYRPXOHKBXDD-UHFFFAOYSA-N 401.310 5.040 0 1 HKAF O=C(c1cccc(COc2cccc(Cl)c2)c1)n1nc2cc1Oc1ccc(F)cc1-2 587874027 ODGGFYHBJOFGND-UHFFFAOYSA-N 420.827 5.716 0 1 HKAF CCOc1ccccc1OCc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)o1 587875595 RTISNAHXOPEWCA-UHFFFAOYSA-N 420.396 5.054 0 1 HKAF COc1cc2c(cc1OC)[C@@](CCc1ccc(C)c(C)c1)(C1CCCC1)N(C)[C@@H](C)C2 962635244 RGQJDBQMIIIIGO-RBTNQOKQSA-N 421.625 6.215 0 1 HKAF CCC(C)(C)[C@@]1(c2ccc(Cl)cc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962728056 BXKNXNOOKPJMDK-RXVVDRJESA-N 409.879 5.666 0 1 HKAF CC(C)c1nn(C)c2c1[C@](CCC1CCCCC1)(c1ccnc(Cl)c1)NCC2 962916219 XIOUOKNRDRCYJJ-QHCPKHFHSA-N 400.998 5.342 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c[nH]c3cccc(OCc4ccccc4)c23)N1 962942852 CCDIWGSMUJATLK-WHLCRQNOSA-N 421.544 6.242 0 1 HKAF Cc1cccnc1[C@@]1(c2ccc(F)cc2)c2ccsc2CCN1Cc1cccnc1 962998696 PKHNVNJQLSBCGZ-RUZDIDTESA-N 415.537 5.336 0 1 HKAF O=C1c2ccccc2[C@@]2(c3c(F)cccc3C[C@@H]3CCCN32)c2c(Cl)cccc21 963086627 BFVNUVLTGUECNP-IVCQMTBJSA-N 403.884 5.336 0 1 HKAF Fc1cccc2c1[C@](c1ccccc1)(c1ccc(C3OCCO3)s1)N1CCC[C@H]1C2 963100848 LAGXLLUVPRFDMQ-DFBJGRDBSA-N 421.537 5.245 0 1 HKAF FC(F)(F)[C@@]1(c2cccc(Cl)c2Cl)NCCc2c(Cl)cc(Cl)cc21 963106738 LHHXCFHDYGAGOZ-HNNXBMFYSA-N 415.069 6.252 0 1 HKAF Cc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)s1 1772575296 QVPMQWFOJCPFMV-IYARVYRRSA-N 417.527 5.239 0 1 HKAF Clc1ccc(-c2cn(Cc3cn(-c4ccccc4)nc3-c3ccccc3)nn2)cc1 1857760956 NSOSZNYZFMCSNH-UHFFFAOYSA-N 411.896 5.500 0 1 HKAF CCCCn1cc(NC(=O)CCc2ccc3c(Cl)c(O)ccc3c2)c(C(=O)O)c1 1911571061 JPNXBDMYUVLOHO-UHFFFAOYSA-N 414.889 5.070 0 1 HKAF CCO[C@@H]1CC(=O)O[C@@H]2CC(=O)C[C@@]12CC=C(C)CCC=C(C)CCC=C(C)C 2356389645 BOVUSYWJRLVHHQ-OYRHQHFDSA-N 402.575 5.866 0 1 HKAF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CCCC=CC=Cc4ccccc4)[C@@H]4C=C[C@@H]1[C@@H]2[C@@H]43 2356424914 YUFZJFBMKNIVGN-BJQFNPEZSA-N 402.534 5.112 0 1 HKAF CC(C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@](C)([C@@H]4CC[C@H](O)C(C)(C)[C@@H]4C)[C@H](C)[C@@]3(C)CC[C@@]12C 2356577345 BICHKMMUIQBJJU-KQKUOQRSSA-N 416.734 7.961 0 1 HKAF CC(C)=CCCC(C)=C1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCCC(C)(C)[C@H]3CC[C@]12C 2356609576 GPZIDTBDDBXXAW-KVAKDDRCSA-N 410.730 9.508 0 1 HKAF CC[C@H](CCC[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356681171 JXICCPITYACVOP-LRHOQYIDSA-N 400.691 7.779 0 1 HKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5COC(=O)[C@@H]54)C3=CC[C@@H]12 2356792693 KBLMWKUJRWQIBA-DNQZVJBRSA-N 412.570 5.228 0 1 HKAF Cc1cc2nc(C(C)(C)C)c(Cc3cccc(Cl)c3)n2c(C)c1Br 95567019 QPWIEIFWHXJUNU-UHFFFAOYSA-N 405.767 6.255 0 3 HKAF CCc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccccc2)cc1 2482881 ORJWRYKXOCIFHQ-UHFFFAOYSA-N 414.480 5.683 0 1 HKAF Cc1sc2nc(C)n(Cc3csc(-c4ccc(Cl)cc4)n3)c(=O)c2c1C 3018143 PDHLRZPFHBZMNS-UHFFFAOYSA-N 401.944 5.208 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1ccc(Cl)c(Cl)c1)Oc1ccccc1-3 3831956 GAUXDXUKQPFNPK-XMMPIXPASA-N 422.355 7.750 0 1 HKAF CC(C)[C@@]1(C)N=C(C(F)(F)F)c2cc(C(=O)C(F)(F)F)c3ccccc3c2N1 5596257 DHOGJOPTAKYHTD-QGZVFWFLSA-N 402.338 5.734 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1F)Oc1ccc(F)cc1-3 13527209 PMTFOILKAFIZEU-FMCGGJTJSA-N 401.456 7.130 0 1 HKAF CCCCC(=O)N[C@@H](CNC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 13737135 BVAWFDQFVDCUJB-QHCPKHFHSA-N 423.601 6.103 0 1 HKAF CC(C)c1c(Cl)c(Cl)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 13861028 SOWQURNDNUWYOW-HUUCEWRRSA-N 414.304 5.181 0 1 HKAF CCOc1ccccc1-c1cc(F)c(NC(=O)c2cscc2C(=O)O)c(F)c1 14960672 YREPFJJQSHIGEQ-UHFFFAOYSA-N 403.406 5.043 0 1 HKAF COc1cc2c(c(C)c1C)O[C@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC2 27618914 KGMRWPGSRWJUKG-NSSGLZPOSA-N 424.669 8.595 0 1 HKAF Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1OCc1ccc(F)cc1 28342568 AVHQUWRUVYEDCE-BHJHLDTFSA-N 402.465 6.067 0 1 HKAF CCC[C@H](C)CCC[C@H](C)C(=O)C[C@H](O)[C@@H](C)C/C=C/C1=C(C)CCCC1(C)C 39162885 JSSNFOHEHRIBDT-UFRJZUHQSA-N 404.679 7.658 0 1 HKAF endogenous,in-man CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1 40429340 PMNCKMIDVRPAGM-UHFFFAOYSA-N 419.613 5.035 0 1 HKAF in-vitro C[C@@](O)(c1cccnc1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C 45316104 XLURXWJLPIJEJT-ZKMPZPQNSA-N 403.501 5.195 0 1 HKAF Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cccc(C(C)(C)O)c3o2)cc1 45354674 KTXYFMJMHNSQHX-UHFFFAOYSA-N 416.477 5.048 0 1 HKAF Cc1cc(NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccc2n1 68589266 GEELRQBSTXQJJY-UHFFFAOYSA-N 418.581 6.415 0 1 HKAF biogenic Fc1cccc(-c2cc3nc(-c4ccccc4)cc(NCCCN4CCCC4)n3n2)c1 72181669 ULSJHYYKYHBAHA-UHFFFAOYSA-N 415.516 5.100 0 1 HKAF O=C(Nc1ccc(-c2ccnc3nc[nH]c23)cc1)Nc1cccc(Br)c1 73257614 MWWLVSZLKTULPS-UHFFFAOYSA-N 408.259 5.031 0 1 HKAF O=C(c1ccccc1)c1ccc(Oc2cc(N3CCc4ccccc4C3)ncn2)cc1 82067458 RYKHYCBROVKCEC-UHFFFAOYSA-N 407.473 5.063 0 1 HKAF Cc1ccc(-c2nc3c(NC4CCCCCC4)ncnc3n2CCc2ccccn2)o1 82190756 GUAHSKMBCQEEDT-UHFFFAOYSA-N 416.529 5.167 0 1 HKAF Cc1cccc(-c2nc(NC3CCCCC3)ncc2C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 82216758 UQJOBCMBBDYSFT-OALUTQOASA-N 406.574 5.315 0 1 HKAF O=C(c1cccc2ccccc12)N1Cc2ccccc2C[C@@H]1COc1ccc(F)cc1 84669130 PKMSJCCDDBLXME-HSZRJFAPSA-N 411.476 5.625 0 1 HKAF COc1ccc2sc(CNc3nncc(-c4c(Cl)cccc4Cl)n3)nc2c1 95582099 QXYYGNCFVRQOCX-UHFFFAOYSA-N 418.309 5.076 0 1 HKAF O=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(-c2cccc(Br)c2)o1 95601451 IKMBUMKXTJBJBF-YBEGLDIGSA-N 400.659 5.855 0 1 HKAF CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@@H](CCO)CC[C@H]21 95603676 MTPKCUWFODAVJL-RRLKHSHUSA-N 410.598 5.913 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](O)(CN)CC[C@]4(C)[C@H]3CC[C@@]21C 96914253 UTAAREKORCMEEK-CBAKPDRDSA-N 417.722 6.798 0 1 HKAF Cc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SC(C)C)nc(O)c32)s1 100703420 YUQINXIGLVSYTA-INIZCTEOSA-N 415.584 5.903 0 1 HKAF COc1ccc(N[C@H](c2ccccc2Cl)c2c(C)[nH]c3ccccc23)cc1OC 103244835 OZWVCWVKHSGKMU-XMMPIXPASA-N 406.913 6.348 0 1 HKAF COc1cccc([C@H](C)Nc2nccc(N3C(=O)OC(C)(C)[C@@H]3c3ccccc3)n2)c1 142099040 FFUHBTMMPMOMCQ-KKSFZXQISA-N 418.497 5.135 0 1 HKAF CC(C)c1cc(C(C)C)c([P@@]2(=O)C[C@@H]3C(Cl)(Cl)[C@@]3(C)C2)c(C(C)C)c1 195471453 PKOMNWPTRSMZCM-JVFUWBCBSA-N 401.358 6.869 0 1 HKAF O=C(Nc1ccc(Br)cc1)c1ccccc1NC(=O)C1CCCCC1 224873943 HFKJIUZNICBOTK-UHFFFAOYSA-N 401.304 5.220 0 1 HKAF CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O 299874822 BZCDRGDJCUQWJB-WJNCPCKPSA-N 422.569 5.273 0 1 HKAF Brc1cc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586885016 SUJLSVKBQJZSAM-BHGXRVDKSA-N 410.153 5.556 0 1 HKAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(Sc3ccccc3)cc2[nH]1)C(C)C 586933325 PLEJBODSDDMFCY-HXUWFJFHSA-N 417.600 5.131 0 1 HKAF CCn1nc(Cc2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)c2ccccc21 586987904 UYUAFBSIKFTLAZ-UHFFFAOYSA-N 405.457 5.112 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(-c4ccccc4F)s3)nc3ccc(O)c1c23 586988754 PREFVBYZBIUJLO-UHFFFAOYSA-N 423.468 6.686 0 1 HKAF Cc1ccc2c3c(cc(-c4cn(Cc5ccc(F)cc5)nn4)nc13)-c1ccccc1C2=O 586995395 JOKIAHOJPCLTAR-UHFFFAOYSA-N 420.447 5.201 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(N5CCCC5)c(F)c4)nc13)-c1ccccc1C2=O 586995628 MWXJQSDPVFRCDS-UHFFFAOYSA-N 408.476 6.161 0 1 HKAF FC(F)(F)c1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cc1Br 587015752 AQHIVAPILNYQIY-LBPRGKRZSA-N 418.238 5.319 0 1 HKAF Cc1ccc(C)c2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc12 587017158 IUYNXHZFNDLWMV-UHFFFAOYSA-N 404.358 5.718 0 1 HKAF Clc1cc(Cl)c2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc2c1 587017692 NWMKFQCBXIYXRJ-UHFFFAOYSA-N 412.305 6.285 0 1 HKAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1 587050719 KYQFGJDEXLLUIA-UHFFFAOYSA-N 407.278 5.200 0 1 HKAF Clc1cc(Br)c2[nH]c(/C=C/c3cccc(Cl)c3Cl)nc2c1 587056031 YIWCDVPAXXISSQ-SNAWJCMRSA-N 402.506 6.456 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)C[C@@H]21 587108057 XWPNACPYELMUCT-JXFKEZNVSA-N 412.489 5.095 0 1 HKAF Fc1cc(Br)c(Cl)cc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587136523 JTPADLJXGOOQMU-UHFFFAOYSA-N 405.557 5.106 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4ccc(Br)nc4[nH]3)ccc2F)cc1 587139390 IJXASEBLBSDVLY-UHFFFAOYSA-N 410.246 5.396 0 1 HKAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2ccc(Br)c(F)c2[nH]1 587148294 AXJLJJQNOQBPCU-GOSISDBHSA-N 414.253 5.805 0 1 HKAF CC(C)[C@@H](c1nc2cccc(OC(F)(F)F)c2[nH]1)N(C)C(=O)OCc1ccccc1 587197262 BXCCTKWNXJCVNV-SFHVURJKSA-N 421.419 5.427 0 1 HKAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)c3nc4cccc5c4c(c3C[C@@H]12)CC5 587213148 GDGPXJRRXPLZKK-VMEHZIGMSA-N 411.545 5.618 0 1 HKAF CC(=O)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328930 KXPQQFKEJDGUGU-FYYLOGMGSA-N 410.828 5.028 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H](c3ncccc3O)C2)[C@@H]1c1ccc(F)cc1 587333884 DAMDAQQWIFETHS-HKFAVZMWSA-N 419.452 5.087 0 1 HKAF CCCOc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587351811 VIWIKYORMLFNRX-ILBGXUMGSA-N 406.453 5.594 0 1 HKAF Cc1ccccc1C[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357921 WRNITQLNXHNTHI-AHWVRZQESA-N 402.465 5.590 0 1 HKAF COC(=O)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1Cc1ccccc1 587363393 SMWFIDQPUZVJKF-UHFFFAOYSA-N 423.468 6.034 0 1 HKAF CC(C)[C@@]1(CSc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587369965 SFNCDFXQGCQWHS-ILBGXUMGSA-N 422.521 6.077 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1OCc1cccc(F)c1)[C@@H](C2)C3=O 587428314 MCCJCBNUOMUHBG-CYFREDJKSA-N 424.855 5.555 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1ccccc1Cl)CC2=O 587466225 JOBJSBMXPKINLG-XMMPIXPASA-N 410.872 6.046 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)cc(CN3CCC(C)CC3)c1C)CC2=O 587474004 DSCOCFRNVOVILQ-SANMLTNESA-N 421.581 5.900 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1c(C(C)C)nn3ccccc13)(C(C)C)CC2=O 587484400 OMBYCJUBELILRW-VWLOTQADSA-N 406.526 5.633 0 1 HKAF O=C1C[C@H](c2ccc3ccc(Br)cc3n2)Oc2c1ccc1c2CCCC1 587495839 GHVKSMUQHJYCQT-OAQYLSRUSA-N 408.295 5.583 0 1 HKAF Cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587524082 JEZCGSGNVSYFEE-RUZDIDTESA-N 409.526 5.346 0 1 HKAF CC(C)(C)Sc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606537 HXVCXBOYIPJVGS-OFNKIYASSA-N 406.503 5.986 0 1 HKAF CCOC(=O)c1c(-c2cc(Br)ccc2F)[nH]c2ccc(F)c(Cl)c12 587629701 YCZSVNKSPXEBRD-UHFFFAOYSA-N 414.633 5.706 0 1 HKAF Cc1ccc2nc(C)cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c2c1 587660175 OSHUVBNZLYOQDH-UHFFFAOYSA-N 423.447 5.056 0 1 HKAF Cc1cc(C)c2nc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc(C)c2c1 587662092 XMFOTSOMTYNAIO-UHFFFAOYSA-N 409.464 5.665 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)cc(C(F)(F)F)c2)N1 587711335 KDOKXOAVRMAQSO-VVVCHXIZSA-N 420.219 5.544 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2cccc(C(F)(F)F)c2)N1 587711508 HHVKUHLTQKTXMS-BZNIZROVSA-N 416.256 5.815 0 1 HKAF COc1cc(C(F)(F)F)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587714147 VEODZZQOGBINPS-HUTHGQBESA-N 418.228 5.239 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cccs2)N1 587732245 ITCSOTJEQLONQU-YUNKPMOVSA-N 420.322 5.615 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(OCCN(C)C)cc3[nH]2)c1 587780485 VDLRVXDVUCRLBG-UHFFFAOYSA-N 401.510 5.236 0 1 HKAF CCC[C@H](CC1(c2nc3c(C)ccnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782682 WOUAOQSVYCYBOL-HXUWFJFHSA-N 405.542 5.628 0 1 HKAF CCOC(OCC)c1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587795151 QSTLIOHKGJNCLK-RNODOKPDSA-N 422.338 5.283 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C=O)cc2)(C2CCCC2)N1 587821395 USSBPZAHNWLIRH-JLCFBVMHSA-N 416.334 5.369 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3)s2)N1 587847322 KJDYJJMSXCYPJM-MPBGBICISA-N 402.332 5.940 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccsc2)N1 587852614 HRALJXBHJGDQSE-FKIZINRSSA-N 402.332 5.940 0 1 HKAF COc1ccc(C2(c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)CC3(CCC3)C2)cc1 587934862 HEOJMVUUJCHWOK-UHFFFAOYSA-N 422.528 6.053 0 1 HKAF Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H](C)c4cccc(Cl)c4)cc23)cc(C)n1 653850155 IXXHBQUKYWAYMT-HNNXBMFYSA-N 404.901 5.386 0 1 HKAF CC(C)(C)c1ccc([C@@]2(CCC(=O)O)NCCc3cccc(-c4ccccc4)c32)cc1 962670119 QFGXOPIPBQDVOF-MUUNZHRXSA-N 413.561 5.905 0 1 HKAF Cc1cc([C@@]2(C(F)(F)F)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)ccc1Cl 962773678 XLUBGLUPHPETRK-DOTOQJQBSA-N 421.768 5.100 0 1 HKAF CCN(CC)CCN=c1[nH]c(/C=C/c2ccc(C(C)C)cc2)nc2ccc(F)cc12 1857612577 DZVYKLXBTBFEFR-NTEUORMPSA-N 406.549 5.238 0 1 HKAF Cc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1n[nH]c(=NC2CCCC2)o1 1857645421 LCJFRGFKGSJOJP-UHFFFAOYSA-N 402.523 5.612 0 1 HKAF CC1=C(C[C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H]1C(C)C 2356533697 POTOXHDOALIWIW-SGMHFBQCSA-N 410.686 7.555 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356538426 DDJMOMHMVFXEQF-HGEJZMCISA-N 400.691 7.923 0 1 HKAF Cc1cccc2oc(=O)c3c(c12)O[C@@]1(C(=O)CC(C)C)O[C@H]3[C@@H]2C(=CC[C@H]2C)[C@H]1C 2356663708 RNMCIHINZSRFRU-BLSUOIKBSA-N 408.494 5.095 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2ccccc2o1 1546117 KAZWZIOZSCJEER-UHFFFAOYSA-N 424.610 7.366 0 1 HKAF Clc1ccc(Cc2nc3ccccc3nc2-c2cccc(Br)c2)cc1 1662718 BMLMZAZFQSPAPA-UHFFFAOYSA-N 409.714 6.304 0 1 HKAF CCCCC/C=C\CCC(=O)CCCCCCCCCCCCCCCC(=O)O 14619624 KBDNHCBOCXMQNL-SSZFMOIBSA-N 408.667 8.408 0 1 HKAF C[C@H](CCN1CC[C@@H](NCc2ccc(-c3ccc(Cl)cc3)o2)C1)CC(C)(C)C 22932304 HVSUVGONQPOCEW-WIYYLYMNSA-N 403.010 6.226 0 1 HKAF CC(C)c1noc(-c2ncn3c2CN=C(c2ccccc2)c2cc(Cl)ccc2-3)n1 26380138 HZPBLZQWBUEHAT-UHFFFAOYSA-N 403.873 5.050 0 1 HKAF Fc1ccc(CO[C@@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1 27527315 KBLCNIZPWNZNKH-RRPNLBNLSA-N 401.525 5.637 0 1 HKAF C[C@H](Oc1ccc2c(c1)OC[C@H](Cc1ccccn1)[C@@H]2O)c1ccc2ccccc2n1 27992453 PCOADGWBOALVHJ-IAKTWSEQSA-N 412.489 5.055 0 1 HKAF Clc1cccc([C@]2(Cn3ccnc3)OC[C@@H](c3ccc(Cl)cc3Cl)O2)c1 28768793 HHVFSVVMSSBGEL-RBUKOAKNSA-N 409.700 5.484 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 33820993 PYSPHEIDGAOOHX-YYHBMGPISA-N 402.663 6.648 0 1 HKAF O=C(Nc1sc(-c2ccccc2)nc1-c1ccccc1)c1ccc2ccccc2n1 35274106 BZGQQWBTHKJWPC-UHFFFAOYSA-N 407.498 6.278 0 1 HKAF CCOC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(-c3ccc(-c4ccccc4)n3C)cc1)N2 36271180 LXPFIHFWVCMHFG-KWNHSTDBSA-N 414.549 5.146 0 1 HKAF FC(F)(F)c1ccc2[nH]c(N3CCN(c4c(Cl)cccc4Cl)CC3)nc2c1 38157659 URAVGFKWFKKVSN-UHFFFAOYSA-N 415.246 5.215 0 1 HKAF O=C(c1csc2ccccc12)N(CCc1ccc(Cl)cc1)Cc1ccccc1 40409857 POBIMKSAFWBWJM-UHFFFAOYSA-N 405.950 6.440 0 1 HKAF CC(C)CC[C@@H](O)[C@@](C)(O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 43119499 MPYAIDWTDSTPEU-OEERKXTISA-N 420.678 5.554 0 1 HKAF Cc1cc(NC2CCN(CC3CCCCC3)CC2)nc(Nc2ccccc2Cl)n1 45302008 NDILCIAZHDTMJA-UHFFFAOYSA-N 413.997 5.639 0 1 HKAF O=C(O)C[C@@H]1COc2cc(OCc3cccc(-c4ccc5sccc5c4)c3)ccc21 59570117 ZOJBLBQNRWETFF-HXUWFJFHSA-N 416.498 6.098 0 1 HKAF O=C(/C=C/C1=C(Cc2ccccc2)c2ccccc2CC1)Nc1ccc2c(c1)OCO2 64516736 MELCIUSDBGNIRG-NTCAYCPXSA-N 409.485 5.553 0 1 HKAF O=C(Nc1cccc(C(F)(F)F)c1)c1c[nH]c2cccc(NCc3ccncc3)c12 66102923 OEFAWQOUYAFIBW-UHFFFAOYSA-N 410.399 5.446 0 1 HKAF COc1cc(-c2ccc(N[C@@H](C)c3ccc(F)cc3)cn2)ccc1-n1cnc(C)c1 72178351 REXNFLCGRFWSTO-KRWDZBQOSA-N 402.473 5.564 0 1 HKAF Cc1cc(C(=O)NC(C)C)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)oc12 73158166 LMEXJTMBTIXEMV-UHFFFAOYSA-N 407.901 5.445 0 1 HKAF CCCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccccc2F)n1 82152934 BNKDPAMLVVYQPY-UHFFFAOYSA-N 400.542 5.249 0 1 HKAF COc1cc(Cn2c(-c3ccccc3)nc3ccc(Cl)cc32)cc(OC)c1OC 95553549 DFEZIZXQFPSXMQ-UHFFFAOYSA-N 408.885 5.431 0 1 HKAF CCCCC(=O)Nc1cc(Cl)cc2c1[nH]c1cnc(NCc3ccccc3)cc12 95555612 IHOLGTMSLWCJRN-UHFFFAOYSA-N 406.917 6.110 0 1 HKAF c1cnc(Oc2ccc(Nc3nc4ccccc4s3)cc2)c(N2CCOCC2)c1 95578701 IYBQVHPASLEZNE-UHFFFAOYSA-N 404.495 5.064 0 1 HKAF CC(=O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C 95889726 DCBAVUVLEYSTPU-LFEYINEWSA-N 412.702 8.067 0 1 HKAF CC(C)Cc1ccc(-n2ccnc2)c(NC(=O)c2cnc(-c3ccccc3)s2)c1 96937929 XVEIEUIURLFUMR-UHFFFAOYSA-N 402.523 5.447 0 1 HKAF CN1[C@H]2CC[C@@H]1C[C@@H](O[C@H](c1ccc(F)cc1)c1cccc(Br)c1)C2 100834463 MTATUXXQZDSZDW-PLACYPQZSA-N 404.323 5.319 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@H]1/C(=C/c1ccc(-c4cccc(Cl)c4)cc1)CN2C3 100951040 FNNDPKKFONPQIL-PSVJOGQJSA-N 421.968 5.684 0 1 HKAF Cc1c(Cl)cccc1Oc1cccn2c(C34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)nnc12 101426925 LMTDRJINJCULCX-SNTCSEMISA-N 409.917 5.066 0 1 HKAF O=C1Nc2ccccc2[C@@H]1[C@@H](C(=O)c1ccccc1)c1c[nH]c2ccc(Cl)cc12 102908655 WIHJWZSQXPIACN-FCHUYYIVSA-N 400.865 5.524 0 1 HKAF CC1(C)CC2=Nc3nn(-c4ccccc4)c(O)c3[C@H](c3ccccc3Cl)C2=C(O)C1 103547115 CJGFHWXXFYHXNE-LJQANCHMSA-N 419.912 6.081 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2cc(F)ccc2F)C[C@H](c2cccs2)C1 104049879 HNQGGHWJKLMDBA-NPMABZOXSA-N 408.473 6.655 0 1 HKAF COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc([C@H](C)N2CCCC2)cc1 165250588 AACXEIZAHGONCA-HNNXBMFYSA-N 404.535 5.575 0 1 HKAF O=C1CCC(c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CC1 169009239 CSUBZUSRIRAQML-UHFFFAOYSA-N 415.518 6.454 0 1 HKAF CC(C)c1ccccc1-c1nc(NCc2ccc(-c3cccnc3)cc2)c2cccn2n1 169304681 OTODRSSJKMGASR-UHFFFAOYSA-N 419.532 6.194 0 1 HKAF Oc1csc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(Br)cc2)n1 169726281 KXGNCZQOLOIOQE-INIZCTEOSA-N 418.291 5.106 0 1 HKAF O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cccc(F)c2)cc1F 205333000 GWWKENBLGFRGLF-UHFFFAOYSA-N 424.878 5.663 0 1 HKAF C/C=C(/C)C(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@H](CC/C(C)=C/CO)[C@@](C)(O)CC[C@H]12 238769946 INBPZKYNDOCEIN-JEZAGUNBSA-N 406.607 5.188 0 1 HKAF FC(F)(F)Oc1ccc(-c2ccc(CN3C4=NCCN4c4ccccc43)cc2)cc1 299830657 ONFHDNNORFMMBF-UHFFFAOYSA-N 409.411 5.448 0 1 HKAF Cc1ccc(-n2ccnc2SCc2nc3cc(Cl)cc(Cl)c3[nH]2)c(C)c1 586966810 SHQVNSTVIDXCHX-UHFFFAOYSA-N 403.338 5.965 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(SC4CCCC4)cc3)nc3ccc(O)c1c23 586994557 WFOPYUXKNIIMJV-UHFFFAOYSA-N 423.537 6.854 0 1 HKAF Cc1cc(C)c2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2c1 586999614 CMGBYRKZNZNAIW-UHFFFAOYSA-N 407.315 5.616 0 1 HKAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccnc(O)c2[nH]1 587018446 BKKRWACCCUQPNA-UHFFFAOYSA-N 405.310 5.420 0 1 HKAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(SC(F)(F)F)cc2[nH]1 587065680 XMCMHGWTVGUGCX-UHFFFAOYSA-N 416.808 5.228 0 1 HKAF COc1cc(Cl)ccc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587066543 MIWPKSKOXQOKBO-UHFFFAOYSA-N 405.601 5.673 0 1 HKAF COc1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 587070525 HPFJKJKGUDEWKY-KRWDZBQOSA-N 401.894 5.033 0 1 HKAF Cc1cc(F)c2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2c1 587178622 HAPLZNHUFUKDIK-UHFFFAOYSA-N 420.147 5.301 0 1 HKAF Nc1ccc2c(c1)-c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333038 HJHRLISSJUGTFU-XNMGPUDCSA-N 423.443 5.397 0 1 HKAF CCOC(=O)[C@@H]1C[C@H](C)Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587362633 LKODRZNVDYACFB-FOIQADDNSA-N 415.489 5.886 0 1 HKAF COc1cccc(-c2cc(-c3cnn(C4CCCC4)c3)nc3c2oc2ccccc23)c1 587364578 XOOKCOIXPJWRIF-UHFFFAOYSA-N 409.489 6.635 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1N1CCCCC1)O2 587377167 LLLGHRADDTZDEC-FQEVSTJZSA-N 415.331 5.037 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(-c4cc(C)ccc4C)nc4c(C)cccn14)[C@@H](C2)C3=O 587436950 WDZJUOMJBZDCQU-RXFWQSSRSA-N 424.500 5.424 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-c3ccccc3Cl)c1)CC2=O 587463424 WWJUVUWPXNWQQJ-RUZDIDTESA-N 406.909 6.546 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(-c3ccc(F)cc3F)c1C)CC2=O 587465678 HAFMLGZPMFRLFT-OAQYLSRUSA-N 412.436 5.132 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCc1ccccc1C)CC2=O 587483130 VHQJKICDDUORLB-VWLOTQADSA-N 402.490 5.939 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@](CC)(CC(=O)O)Cc2ccccc21 587491364 ULOUUKICDRHJHO-LOSJGSFVSA-N 408.494 5.023 0 1 HKAF O=C1C[C@H](c2ccccc2-c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 587502862 GFDRTOFVVZQQIW-XMMPIXPASA-N 423.339 7.246 0 1 HKAF CC[C@@]1(c2ccc(-c3ccccc3F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502975 JLTBORFWKMFJPQ-MHZLTWQESA-N 400.493 6.642 0 1 HKAF O=C1C[C@](c2ccccc2)(c2c(Cl)cccc2Cl)Oc2c1ccc1c2CCCC1 587506785 OZDUZMMYKLIBQA-VWLOTQADSA-N 423.339 6.781 0 1 HKAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccccc1 587527123 WCTREKNMBOYSPN-AREMUKBSSA-N 414.501 5.860 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(F)cc2F)o1 587566647 AIBAFBWGUVJIEJ-QPPBQGQZSA-N 420.367 5.633 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1ccc(F)cc1 587571400 NYBRCAHZICMGHS-JYFHCDHNSA-N 412.416 5.901 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1OCC1CC1 587574121 ZASMXSBUYDMPGJ-ZJSXRUAMSA-N 406.409 5.023 0 1 HKAF Cc1cccnc1[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587589575 VQZSMUUWBDBDNF-SAQVGAHLSA-N 401.462 5.154 0 1 HKAF COc1cccc([C@]2(C(C)(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587599896 IQZPRPOTKLFUPV-OFVILXPXSA-N 404.462 5.304 0 1 HKAF C[C@]1(c2cnc(-c3ccccc3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609968 FEUARDXLEVXHLW-HYBUGGRVSA-N 415.470 5.393 0 1 HKAF C[C@@]1(c2cscc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619105 QUNFGUIVSKJJGA-APWZRJJASA-N 417.280 5.093 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCSc1ccc(Cl)cc12 587619683 UHQJZNAIPZNJQH-SIKLNZKXSA-N 410.878 5.399 0 1 HKAF CCOC(=O)c1c(-c2c(F)c(F)c(F)c(F)c2F)[nH]c2c(C)cc(Cl)cc12 587624394 JDQOGHGLPUTUQG-UHFFFAOYSA-N 403.734 5.669 0 1 HKAF CN(C)C1CCN(c2c(-c3c[nH]c4ccccc34)[nH]c3cc(Cl)c(F)cc23)CC1 587631730 KJTYWHXGNSGTAO-UHFFFAOYSA-N 410.924 5.639 0 1 HKAF Cc1c(Br)cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587676976 JLKFGDUTBMCLLW-VVVCHXIZSA-N 413.128 5.283 0 1 HKAF Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587681345 WVFBPIYMQZAIGC-BTDLBPIBSA-N 413.128 5.283 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1 587693511 FEBJQZDPCCNGJP-BIBXISHDSA-N 420.709 6.125 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CCC(F)(F)F)c2)N1 587708955 GOQOHYXKXGOGCG-ZMZPIMSZSA-N 416.256 5.707 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CF)(c2ccc(C(F)(F)F)cc2)N1 587710438 CUIPVYNNCGIEGR-DYZYQPBXSA-N 420.219 5.354 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2c(F)cccc2Cl)N1 587717761 GONOQDFKLIBLTP-MGPLVRAMSA-N 400.694 5.589 0 1 HKAF C[C@H]1C[C@@H](C)CN([C@@H]2CCCC[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)C1 587763396 YILZUTNVBOPYKT-TXKSIBRWSA-N 423.414 5.238 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccccc3)nc2)N1 587767803 BDRSTOBVJIZXNZ-ASSNKEHSSA-N 413.290 5.399 0 1 HKAF COc1ccc2c(c1)[C@H](C)[C@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587810049 SIRHWGHFOLSBEW-BHVCSQLQSA-N 404.323 5.076 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2C(Cc2ccccc2)(Cc2ccccc2)N1 587811433 FWFAOBYAZCOQPS-KRWDZBQOSA-N 424.357 5.803 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccnc2c(C(F)(F)F)cccc12 587870990 MWXSRQAAFPTKKE-UHFFFAOYSA-N 401.363 5.644 0 1 HKAF CCc1ccc(OCc2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)o2)cc1 587875945 VXNQQKFNMHWKKS-UHFFFAOYSA-N 404.397 5.218 0 1 HKAF Clc1c(Br)cnc2[nH]c(Cc3ccccc3Oc3ccccc3)nc12 587949505 VFEGPCZSCRDKEZ-UHFFFAOYSA-N 414.690 5.757 0 1 HKAF FC(F)(F)c1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2cc1Cl 587949575 HXRNHFPZBIPIBQ-ZHACJKMWSA-N 414.814 7.198 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c([C@H](CC)O[C@H]3CCC[C@H](C)C3)nc2c1 587951418 UUCGGINQRQQAPN-JDFRZJQESA-N 423.351 5.549 0 1 HKAF COc1ccc2c(c1)[C@](C)(CCc1cccc(Br)c1)N(C(C)C)CC2 962093834 TWKQILNEWFNIOD-QFIPXVFZSA-N 402.376 5.572 0 1 HKAF COc1ccc(CC[C@@]2(c3ccc(OC)cc3)NCCc3ccc(F)c(C)c32)cc1 962303154 VHIHZSIOUQRPLK-SANMLTNESA-N 405.513 5.173 0 1 HKAF Cc1ccc(CC[C@@]2(c3ccc(Cl)cc3Cl)NCCc3ccc(O)cc32)cc1 963352478 LLJWTJYIRGQCJQ-DEOSSOPVSA-N 412.360 6.030 0 1 HKAF CC(C)(C)[C@@]1(CCCC(=O)O)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963831347 FTDYUSOHBPFCGP-SANMLTNESA-N 420.553 5.389 0 1 HKAF c1ccc(COc2ccc3[nH]c4c(c3c2)CCN[C@@H]4c2cc3c(s2)CCC3)cc1 963833931 ZFIJEBRXUSZMBQ-RUZDIDTESA-N 400.547 5.532 0 1 HKAF CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)CCC=C(C)[C@H]1CC(=O)C(C)(C)O1 2356458906 VGYPZLGWVQQOST-GOSISDBHSA-N 420.933 5.224 0 1 HKAF CC(C)C[C@H](C)[C@@H](C)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356497280 JQULJCPOAMRTHP-DCLREGFHSA-N 414.718 7.881 0 1 HKAF CC1(C)CC[C@]2(C)C[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 2356596119 FQJLCTDZJGECJX-NCGWQWSCSA-N 412.702 7.779 0 1 HKAF CC(C)=CCCC(C)=C[C@H](O)CC(C)=CCC[C@]1(C)C=Cc2cc(O)cc(C)c2O1 2356679514 BDPWTJZRRJMGSJ-RPLLCQBOSA-N 410.598 7.035 0 1 HKAF CC(C)CCC[C@@H](CO)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 2356708487 RLHNRTIKLOSORC-ZDOPPKTQSA-N 418.662 5.332 0 1 HKAF N=c1c2c(ccn1Cc1ccccc1)Oc1ccc3ccccc3c1[C@H]2c1ccccc1 102738124 OVXBGBPOTMGUGI-AREMUKBSSA-N 414.508 6.455 0 3 HKAF CC(C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(-c2ccccc2)cc1 2480091 CGMXOSVOBRMBBD-UHFFFAOYSA-N 400.453 5.953 0 1 HKAF CCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccccc3)nc21 3815302 XZBKAAPFQAVYSN-UHFFFAOYSA-N 411.292 5.529 0 1 HKAF COC(=O)c1ccc([C@H](NC(=O)c2ccccc2)[C@]2(C)C[C@H]2C2CCCCC2)cc1 6202482 ZKEQJRJSPBCJTL-JCYRPKCISA-N 405.538 5.551 0 1 HKAF CC(C)c1cc2c(cc1O)[C@@]1(C)CC[C@H](OC(=O)c3ccccc3)C(C)(C)[C@@H]1CC2 13302166 HFAMSEZTLMXOQW-NLJOTIRTSA-N 406.566 6.381 0 1 HKAF Oc1cc2c3c(c1)oc1cc(ccc13)CCc1ccc(O)c(c1)Oc1ccc(cc1)CC2 13373903 UYYGENBVWBZOIM-UHFFFAOYSA-N 422.480 6.673 0 1 HKAF biogenic CN(C)CCCCCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1 13454307 FWYUTSUWWZVOGD-UHFFFAOYSA-N 407.554 6.131 0 1 HKAF Cc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccncc3)n2)cc1 28707497 SPONZFNPNYGFCN-HXUWFJFHSA-N 402.548 5.931 0 1 HKAF CC(C)c1cccc(SC[C@@H](C)CN[C@@H]2COc3ccccc3SC2)c1O 34341204 OJQVUMLXIXJDQX-DLBZAZTESA-N 403.613 5.387 0 1 HKAF c1coc(CNCCCNc2ccnc3cc(-c4cccc5ccccc45)ccc23)c1 72124834 YMHAHROURTWZPM-UHFFFAOYSA-N 407.517 6.240 0 1 HKAF CC1CCC(NCc2ccc3c(c2)CC2=C(c4ccc5cc(O)ccc5c4)N=N[C@H]23)CC1 87612898 DTIZFHQPZBVRCQ-PGKLEWNHSA-N 423.560 6.688 0 1 HKAF COc1cc(Nc2ncc3c(n2)[C@@H](c2ccccc2)CCC3)ccc1-n1cnc(C)c1 95574197 NNNTYDUUOVVGCR-OAQYLSRUSA-N 411.509 5.191 0 1 HKAF CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]21C 95914021 XMAFTMIHHMOTGO-NJCGARBWSA-N 410.730 9.364 0 1 HKAF biogenic,in-vitro FC1(COc2cccc3ccc(-c4nnc5ccc(C6CC6)cn45)nc23)CCCCC1 96175049 FRULTLFYFCDJHJ-UHFFFAOYSA-N 416.500 5.873 0 1 HKAF Cc1[nH]c2ccccc2c1[C@H]1CC[C@@H](N2CCN(c3cccc4[nH]ccc34)CC2)CC1 101181252 ORDLTNPENGIZSO-MEMLXQNLSA-N 412.581 5.806 0 1 HKAF Cc1cnn(C[C@H]2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)c1C 118638486 MCOFQVSKAQKXFA-FZNQNYSPSA-N 413.871 5.161 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913807 LNNXWNOUIHYAOR-HHXFGLSQSA-N 420.678 5.554 0 1 HKAF in-vitro COc1cccc2c1O[C@@H](CN1[C@@H]3C=C(c4cccc5ccccc45)C[C@@H]1CC3)CO2 169373114 ZIQRGFPFGAMDTI-FKBYEOEOSA-N 413.517 5.309 0 1 HKAF Fc1ccc2[nH]cc([C@H]3CC[C@H](CCN4CCN(c5ccccn5)CC4)CC3)c2c1 253636402 IFACRBHSWWBVIG-MXVIHJGJSA-N 406.549 5.188 0 1 HKAF CCOC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(-c3ccc(-c4ccccc4)n3C)cc1)N2 253638085 LXPFIHFWVCMHFG-OHTANWTRSA-N 414.549 5.146 0 1 HKAF COc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1O[C@H]1C[C@H]2CC[C@H]1C2 253700179 JITWRUMFYWXWGT-LXIYXOSZSA-N 406.309 5.822 0 1 HKAF CCCC[C@H](OC(C)=O)c1ccccc1C(=O)Oc1cc(C)nn1-c1ccc(F)cc1 474603680 CUIMOBFQBZQYMB-QFIPXVFZSA-N 424.472 5.333 0 1 HKAF COc1cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1Cl 586958177 DTGHGOSYKQAXQJ-NDEPHWFRSA-N 410.926 5.263 0 1 HKAF O=[S@](Cc1nc2cc(Cl)cc(Cl)c2[nH]1)C(c1ccccc1)c1ccccc1 586960999 ROQJTMXKFMFDOU-HHHXNRCGSA-N 415.345 5.908 0 1 HKAF Cc1ccc(-c2nnc(SCc3nc4cc(Cl)cc(Cl)c4[nH]3)n2C)cc1 586965872 ZSHWULDKUXNUNX-UHFFFAOYSA-N 404.326 5.266 0 1 HKAF CCCC(Br)(CCC)c1nc2c(Cl)c(Br)cnc2[nH]1 586970859 KTSPMOMJDFTWKD-UHFFFAOYSA-N 409.553 5.564 0 1 HKAF CCOc1cc(/C=C/c2nc3cc(OC)c(C)cc3[nH]2)cc(Br)c1OC 586978572 XCWQBJNYZZULTQ-VOTSOKGWSA-N 417.303 5.220 0 1 HKAF Nc1c(Cl)cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1Cl 586985852 KYLHNVCILIDKAF-UHFFFAOYSA-N 407.256 5.708 0 1 HKAF O=C(O)c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 586998741 PPMOPSADMANKMM-JXMROGBWSA-N 409.239 5.454 0 1 HKAF Cc1cc(Cl)cc2nc(COc3ccc4ccccc4c3Br)[nH]c12 587002153 UPQUNRWCWSFJOQ-UHFFFAOYSA-N 401.691 6.019 0 1 HKAF CCCn1cnc2cc(-c3nc4ccc5ncccc5c4[nH]3)cc(Br)c21 587004641 XAMCQRSQBGISFM-UHFFFAOYSA-N 406.287 5.300 0 1 HKAF FC(F)(F)Oc1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 587017611 NRBWFXBTCVRJAV-UHFFFAOYSA-N 403.385 5.187 0 1 HKAF Fc1cnc(Cl)c2[nH]c(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)nc12 587020495 BUTNLHFHKSAONB-UHFFFAOYSA-N 422.876 5.680 0 1 HKAF CCOC(=O)Cc1ccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2c1 587050892 VEIBYHNUPIFURZ-UHFFFAOYSA-N 418.880 5.468 0 1 HKAF COc1cccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 587064039 KFMZIQYZBARSBU-UHFFFAOYSA-N 417.896 5.926 0 1 HKAF Fc1cnc(Br)c2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c12 587065089 SSYHWMUFCGWYON-UHFFFAOYSA-N 422.641 5.352 0 1 HKAF Cc1cncc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 587074506 BCODLZGYOJIPAF-ATVHPVEESA-N 422.919 6.622 0 1 HKAF Cc1[nH]c(C(=O)O)c(C(C)C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097024 NRHOJSSXIYTSHZ-UHFFFAOYSA-N 410.473 5.880 0 1 HKAF Nc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1Br 587101723 LTWZSJFBESHDNO-UHFFFAOYSA-N 401.263 5.458 0 1 HKAF CCc1c(C2(c3ccccc3)CCNCC2)nc2cccc3c2c1-c1ccccc1C3=O 587105602 ATBBNGFVXUDCOZ-UHFFFAOYSA-N 418.540 5.678 0 1 HKAF FC(F)(F)c1cc(CCc2nc3cnc4ccccc4c3[nH]2)cc(C(F)(F)F)c1 587110706 IELATISTXZJWPK-UHFFFAOYSA-N 409.333 5.934 0 1 HKAF Fc1cc2[nH]c([C@@H](Nc3ccccc3)c3ccccc3F)nc2cc1Br 587150452 QHMHLLGEHDEMFE-IBGZPJMESA-N 414.253 5.805 0 1 HKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 587160746 GAKZUGLCFLNCIY-QWRGUYRKSA-N 415.184 5.634 0 1 HKAF C[C@]1(c2cnc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331902 QCJVKPJJHPGFNA-PZJWPPBQSA-N 418.251 5.507 0 1 HKAF CC(C)CCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353620 LMDFKQWVLDJQBW-AHKZPQOWSA-N 418.508 6.612 0 1 HKAF COc1cccc(-c2cc(-c3cc(F)c(F)c(F)c3F)nc3c2oc2ccccc23)c1 587360527 PRHOMMCHMVORGB-UHFFFAOYSA-N 423.365 6.880 0 1 HKAF CCCC[C@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 587464640 VELGCKCMVHZZSG-JOCHJYFZSA-N 406.444 6.414 0 1 HKAF O=C1C[C@@H](c2ccccc2Oc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587500032 LHNBLUBILLCSBZ-DEOSSOPVSA-N 404.893 6.718 0 1 HKAF O=C(CCC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 587524091 NECIKDGIADDNQX-GDLZYMKVSA-N 424.540 6.479 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(C(F)(F)F)ccc12 587545705 HEFVJIOQZPGVGB-DENIHFKCSA-N 412.363 5.214 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H]2CCc1ccccc1 587602227 GTYKAKZAIHJMDY-FRPAHBMMSA-N 400.474 5.526 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cc2ccccc2)s1 587614160 RJJJSMSBUKDVJF-RDGATRHJSA-N 414.482 5.747 0 1 HKAF O=Cc1cc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)sc2s1 587618639 PCIHUSVSIKEDET-YLJYHZDGSA-N 408.456 5.184 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccc(Cl)cc2)N1 587697475 GQFULSUONKPGTH-ZQFKXBEFSA-N 423.757 5.095 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccco2)N1 587700026 LHQHTNOBZZPSSK-FKIZINRSSA-N 420.709 5.661 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(Cl)c(Cl)c2)N1 587706264 PICLKYKPGLLDIK-VPTHRUTESA-N 404.110 5.088 0 1 HKAF Cc1cc(F)ccc1-c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587727523 BPWSYGZPVYMKEG-GTJPDFRWSA-N 418.281 5.919 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccn2)(C2CCCCC2)N1 587770046 HVABDMCDSUPTJT-SPLOXXLWSA-N 403.339 5.341 0 1 HKAF Fc1c(Br)ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587783736 FYQXZWCJUQIXIR-MDWZMJQESA-N 423.285 6.214 0 1 HKAF CCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CC 587791844 ISDXUFAVBQGMFD-ASSNKEHSSA-N 406.339 5.563 0 1 HKAF CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)C 587800866 HSLQSDDWRHNDAZ-ASSNKEHSSA-N 406.339 5.734 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccccc3)cc2)N1 587807949 FTMBGBKJKFBSCW-RCDICMHDSA-N 412.302 6.004 0 1 HKAF CCc1ccc(CC(C)(C)[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587821702 XCJOBALDYISPDA-QKKBWIMNSA-N 404.367 5.995 0 1 HKAF Cc1ccc2c(c1C)OCCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587833063 FHUQWCGLFIZZJO-ASSNKEHSSA-N 404.323 5.155 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1COc1ccccc12 587836044 RHMUUDZXBCOIKY-LFVRLGFBSA-N 424.313 5.307 0 1 HKAF CCOc1ccc2nc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)sc2c1 587863585 CLSVKWMJZKNNHH-UHFFFAOYSA-N 419.428 5.575 0 1 HKAF COc1ccc(-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)cn1 587922889 HHTAASZNVDVPFC-UHFFFAOYSA-N 401.466 6.168 0 1 HKAF COc1c(Cc2ccccc2)cc(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 587946840 YWKIPJIFZVJQSG-JOCHJYFZSA-N 405.469 5.747 0 1 HKAF CC[C@]1(Cc2nc3c(Cl)c(Br)cnc3[nH]2)CC(=O)c2ccccc2C1 587960823 NTFXQZAVDFRIEV-LJQANCHMSA-N 418.722 5.142 0 1 HKAF Cc1nn2c(=O)cc(-c3ccc(OC(C)C)cc3)[nH]c2c1Cc1ccc(Cl)cc1 653675520 SEOZZTGAEFZRNA-UHFFFAOYSA-N 407.901 5.029 0 1 HKAF CCCN(CCC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)OCC)cc21 653811017 YAHGBGRERAQMEK-UHFFFAOYSA-N 423.557 5.140 0 1 HKAF COc1ccc2c(c1OC)[C@@](c1ccccc1)(c1cccc3cc[nH]c13)N(C)[C@@H](C)C2 962616738 AMZKTPLPBCYKJI-XRHLQHRESA-N 412.533 5.353 0 1 HKAF c1ccc(Cc2nocc2[C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1 962636934 JOSKDEUPFNVBAE-CUBQBAPOSA-N 421.544 5.102 0 1 HKAF CN1C(=O)C[C@H]2CN[C@](CCc3ccccc3)(c3ccccc3Cl)c3cccc1c32 963025350 JWYOBBKYGOVIKJ-AFMDSPMNSA-N 416.952 5.270 0 1 HKAF C[C@]1(c2cccc(-c3cccc(CC(=O)O)c3)c2)c2c(F)cccc2C[C@H]2CCCN21 963114727 WKZQGSJOZNCCEK-KCWPFWIISA-N 415.508 5.404 0 1 HKAF Cc1cccc(C)c1[C@@]1(C2CC2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963189474 WTRAFYZZFHUDSX-NQIIRXRSSA-N 423.862 5.228 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cccn1-c1ccc(Cl)cc1Cl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c1ccc([C@H]2O[C@H](CCc3ccccc3)Cc3nc(S)nc(O)c32)cc1 169304269 MCFHAYGFDDXHBU-DENIHFKCSA-N 406.551 5.258 0 3 HKAF CC(C)[C@@H](C)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(F)cc1Cl 2481916 LGKGIJHEOWTHET-GFCCVEGCSA-N 421.299 6.229 0 1 HKAF CCN1C(=O)c2ccccc2Sc2ccc(NC(=O)c3ccc(Cl)cc3)cc21 8600664 LBMKNXBOCAYNLG-UHFFFAOYSA-N 408.910 5.724 0 1 HKAF CC(C)=CCc1c2c(c(O)c3c(-c4ccccc4)cc(=O)oc13)C(=O)[C@@H](C)[C@H](C)O2 13382519 LCHRCBXGRPWRBG-GJZGRUSLSA-N 404.462 5.274 0 1 HKAF biogenic CC(C)(CC(=O)O)Cc1nc2cc(F)ccc2n1Cc1ccc(Br)cc1 13826779 KPPIRLCOZYHMMG-UHFFFAOYSA-N 419.294 5.030 0 1 HKAF COc1cccc2c1-c1ccc(NC(=O)c3ccccc3)cc1[C@@H](c1ccccc1)O2 26172464 PXHYGRHGHRJFOI-AREMUKBSSA-N 407.469 6.096 0 1 HKAF C[C@@H](C(=O)Nc1ccccc1C(=O)O)c1ccc(Oc2ccc3ccccc3c2)cc1 27329634 WXNDKLDDQBZJJO-QGZVFWFLSA-N 411.457 6.073 0 1 HKAF Clc1ccc(CNCCCCNCc2ccc(Cl)c(Cl)c2)cc1Cl 28259719 UGGDWCZDSWVSRI-UHFFFAOYSA-N 406.184 5.960 0 1 HKAF O=C(NCCc1ccccc1)Nc1ccc2nc(NC(=O)C3CCCCC3)sc2c1 28460684 UIPORRFSGXXQTR-UHFFFAOYSA-N 422.554 5.179 0 1 HKAF Cc1ccc(OCc2ccccc2)c([C@@H](CCN2C[C@H]3C[C@H]3[C@H]2C)c2ccccc2)c1 28474961 RMIOCWSMLOFBIC-RIPKLYFCSA-N 411.589 6.436 0 1 HKAF C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CC[C@@H](O)C(C)C 33820670 SNOXQOOPUCMFPS-IBLPRGGXSA-N 400.647 6.590 0 1 HKAF Cc1[nH]c2ccc(Cl)cc2c1C1CCN([C@@H]2Cc3cccc4cccc2c34)CC1 36221524 OGLIFFKVFKYPEO-XMMPIXPASA-N 400.953 6.760 0 1 HKAF COc1ccc([C@H]2CC3(N4CCCCC4)CC(=O)C2[C@H](c2ccc(OC)cc2)C3)cc1 40576377 LFLZLNYRDAENMG-NSURQITHSA-N 419.565 5.179 0 1 HKAF O=C(CCCCCCc1ccccc1)c1nnc(-c2cccc(Br)n2)o1 40874782 NORJRMDIONMFOR-UHFFFAOYSA-N 414.303 5.270 0 1 HKAF c1cncc(CCNCc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)c1 45339524 LLKXOWZDMIGUPQ-UHFFFAOYSA-N 404.517 5.624 0 1 HKAF Cc1onc(NC(=O)N2CCC3(CC2)CC(c2cccc(OC(F)(F)F)c2)C3)c1C 73163557 FEWFZDIQPYNODR-UHFFFAOYSA-N 423.435 5.382 0 1 HKAF Cc1cccc(-c2nc(NCc3ccc(C)o3)ncc2C(=O)NCC2CCCCC2)c1 82145077 JJGXMNDGLVUDPH-UHFFFAOYSA-N 418.541 5.276 0 1 HKAF CCC(CC)c1nc2c(NCc3ccc(Cl)cc3)ncnc2n1C[C@@H]1CCCO1 82185255 YSLNWSZFUGJEJT-SFHVURJKSA-N 413.953 5.174 0 1 HKAF COC(=O)C(C)(C)[C@@H](c1ccc(Nc2ccc(C(F)(F)F)cc2)cc1)n1ccnc1 95561642 OHMKSXJKGQBWMU-LJQANCHMSA-N 417.431 5.434 0 1 HKAF O=C(Nc1nc2cc(Cl)c(F)cc2s1)c1ccccc1C(=O)c1ccccc1 95578899 PGTZPJKKGALPBQ-UHFFFAOYSA-N 410.857 5.572 0 1 HKAF Cc1nccc2c3ccccc3n(CCCn3c4ccccc4c4ccnc(C)c43)c12 95596248 JUFUMXXAEYQRDK-UHFFFAOYSA-N 404.517 6.400 0 1 HKAF CCCn1c[n+](Cc2ccc(C[n+]3cn(CCC)c4ccccc43)cc2)c2ccccc21 98084262 KASGMVGLIGORFX-UHFFFAOYSA-N 424.592 5.088 0 1 HKAF CC1=C(/C=C\C(C)=C\C=C/C(C)=C/CNCCCC[C@H](N)C(=O)O)C(C)(C)CCC1 98209144 FSIGCSBKSBDRLV-VHOKITCPSA-N 414.634 5.690 0 1 HKAF in-vitro O=C1O/C(=C/c2ccc(Br)cc2)C=C1Cc1ccc(Br)cc1 103174555 WNXNBOVYRAQZPZ-LICLKQGHSA-N 420.100 5.278 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2cc(F)ccc2F)C[C@H](c2cccs2)C1 104049875 HNQGGHWJKLMDBA-ZAMGYDSWSA-N 408.473 6.655 0 1 HKAF N#Cc1ccc(COc2ccc3[nH]c4c(c3c2)CC[C@H]4CC(=O)O)cc1C(F)(F)F 117523781 GQSQSTSCDLGWQJ-ZDUSSCGKSA-N 414.383 5.142 0 1 HKAF CC[C@@H](OC)c1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(Cl)cc1Cl 143650640 JEOAIQOULILFTM-QGZVFWFLSA-N 424.759 6.636 0 1 HKAF CC(C)N(CC[C@H](O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1ccccc1 145183075 IZAFVOYCKJZVJV-IBGZPJMESA-N 419.409 6.058 0 1 HKAF O=C(NCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cc(F)cc(F)c2)cc1 216054079 IQPWPZPEMSWMJE-UHFFFAOYSA-N 410.851 5.620 0 1 HKAF CC[C@@H](O)CCCCCCCCCCCCCCc1cc(O)cc(O)c1C(=O)O 238774577 XSVWJFIIEKPTCR-HXUWFJFHSA-N 408.579 6.181 0 1 HKAF Cc1ccc(CSCCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 586971027 RRYACBQDFZBOKK-UHFFFAOYSA-N 418.406 6.385 0 1 HKAF CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 586994971 BQTDOLUILGFSJM-UHFFFAOYSA-N 423.310 6.432 0 1 HKAF Cc1nc(Br)sc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 587012640 ZUZPRZHHOXYXOA-UHFFFAOYSA-N 401.127 5.137 0 1 HKAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(F)c(C)c3[nH]2)c1 587048750 MPZATBLWXPIXIH-MDZDMXLPSA-N 414.868 5.054 0 1 HKAF CC(C)(C)c1ccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2n1 587051047 OLGFRKFRIRSSST-UHFFFAOYSA-N 411.936 7.396 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(C(=O)O)cc2[nH]1 587071319 JZBHPHPBDOYSDC-YRHSSUKESA-N 401.293 5.934 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3c(C)cccc3-c3ccc(Cl)cc3)nc2c1 587074547 XATXBINEDQXPTE-UHFFFAOYSA-N 411.730 6.930 0 1 HKAF Cc1onc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1COc1ccc(Cl)cc1 587075985 NMNLBIMWDYSZAD-UHFFFAOYSA-N 408.672 6.066 0 1 HKAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Cl)cc(Br)c2[nH]1 587079932 LZQBJGUBJHDHAQ-CYBMUJFWSA-N 424.129 5.356 0 1 HKAF CC(C)Oc1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cc1Br 587080337 LZTJUZBNCZEJKX-UHFFFAOYSA-N 418.722 5.769 0 1 HKAF Cc1ccc2c3c(cc(-c4sc(N)nc4-c4ccccc4)nc13)-c1ccccc1C2=O 587100899 BITPSEVFXAUPDT-UHFFFAOYSA-N 419.509 6.127 0 1 HKAF C[C@H]1c2c(Br)cccc2-c2nc3cccc4c3c(c21)-c1ccccc1C4=O 587101615 IQAIPCRTHAARLL-LBPRGKRZSA-N 412.286 6.341 0 1 HKAF CC(=O)N1C[C@@H]2Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)-c3cccc1c32 587106876 OCILONFXIUJRGC-HNNXBMFYSA-N 402.453 5.119 0 1 HKAF COc1cc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144118 QBJVNPJZDPUMON-UHFFFAOYSA-N 419.456 5.435 0 1 HKAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587148760 FWNLVTRTLWMYRO-RUZDIDTESA-N 409.464 6.696 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1 587162954 DKXFTPNCVHDZPI-RCCKNPSSSA-N 424.500 6.583 0 1 HKAF CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@]2(C)c3nc4cccc5c4c(c3C[C@H]12)CC5 587214450 QHFVEQHPTYTBSN-HWOONTJSSA-N 421.540 5.749 0 1 HKAF Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2ccccc12 587350820 HDGUDPJXTQBFLF-RCZVLFRGSA-N 402.421 5.860 0 1 HKAF CCCC[C@H](O)[C@]1(CCCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351169 IEZJZEITXBXNDJ-ZDXQCDESSA-N 400.490 5.370 0 1 HKAF CC(C)[C@@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351372 GKNZNRPUCRKFJQ-AOYPEHQESA-N 404.481 5.918 0 1 HKAF COc1cccc(-c2cc(-c3cnc(Cl)cc3Cl)nc3c2oc2ccccc23)c1 587359928 IXBFLUPDAPBPNM-UHFFFAOYSA-N 421.283 7.025 0 1 HKAF COc1cccc(-c2cc(Cc3c[nH]c4ccccc34)nc3c2oc2ccccc23)c1 587361988 CAYFWULSSKVQHW-UHFFFAOYSA-N 404.469 6.729 0 1 HKAF COc1cccc(-c2cc(-c3ccc(OC)c(OC)n3)nc3c2oc2ccccc23)c1 587363441 NMVZPFHDKOQMFQ-UHFFFAOYSA-N 412.445 5.736 0 1 HKAF COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1S 587373990 JTXHVNQMGROROI-GGAORHGYSA-N 410.466 5.103 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3cccc(Cl)c3Cl)o1)O2 587378784 PUNQNTITAUZTRH-LJQANCHMSA-N 418.276 5.763 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C(=O)OC(C)(C)C)c3c(C)cccc13)O2 587389019 DEMLOEZGQJHUSD-HXUWFJFHSA-N 406.482 5.330 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cc(NC(=O)OC(C)(C)C)ccc3o1)O2 587389519 KYMCPEHLEBEWFV-FQEVSTJZSA-N 408.454 5.377 0 1 HKAF CCCOc1c(Cl)cc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OCC 587461959 VLDJHSFRGWRUKC-HXUWFJFHSA-N 418.917 5.892 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cc(Cl)ccc3Cl)o1)CC2=O 587463591 YVTKSBQAWMCYED-OAQYLSRUSA-N 417.288 6.618 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)CC2=O 587470493 OITJCPOIDCRHIR-ULQDDVLXSA-N 417.546 5.152 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccccc3C)cc1)CC2=O 587477149 FPUJRPWNMFMKSJ-VWLOTQADSA-N 402.490 5.939 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C=C(SC)SC)(c1ccccc1C)CC2=O 587489894 FLWXAGXGLTWWAG-HSZRJFAPSA-N 414.592 6.081 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)([C@@H](O)c1ccc(C)cc1)CC2=O 587490883 SNUKBLSNXYANLZ-RRPNLBNLSA-N 416.517 5.556 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1-c1ccc(F)cc1 587573300 VSIYJHSHCMHKCL-PXDATVDWSA-N 413.404 5.296 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)[nH]c12 587624484 NPURAUNCSQHPOF-UHFFFAOYSA-N 414.719 7.335 0 1 HKAF COC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625307 GDVZICLYWYURJI-UHFFFAOYSA-N 421.724 6.313 0 1 HKAF O=C(O)c1cccnc1Sc1c(-c2ccc(F)cc2)[nH]c2cc(Cl)c(F)cc12 587629971 BOCJILDBWZEZMM-UHFFFAOYSA-N 416.836 6.011 0 1 HKAF Oc1cc(Br)ccc1-c1[nH]c2cccc(F)c2c1-c1ccc(F)cc1 587634966 WQFNXNYLMFTUBS-UHFFFAOYSA-N 400.222 6.248 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3Cl)c(C(=O)C(=O)OC)c2c1 587639823 DEJCFHMKRWRAHN-LLVKDONJSA-N 404.293 6.011 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)cc2Cl)N1 587691696 CYDOTRJIJNYWEO-XYZCENFISA-N 403.122 5.693 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCOc3cc(Cl)ccc32)N1 587692413 BIBJDRYCJSKJMA-WLRWDXFRSA-N 410.714 5.192 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(C(F)(F)F)N1 587710105 QLVCEUNZNOIBPZ-XXFAHNHDSA-N 422.647 5.582 0 1 HKAF C[C@@H](c1ccc(C(F)(F)F)cc1)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587712905 MBCHYPPEWVYEEC-LIBAHTEVSA-N 416.256 5.986 0 1 HKAF Cc1ccc(OCC2CC2)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587810515 UPTISKWRVTXZPZ-ZSEKCTLFSA-N 404.323 5.309 0 1 HKAF CCCCCCc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587815252 LJJARHXELMYJCX-HJPURHCSSA-N 418.394 6.509 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C=O)cc2)(C2CCCC2)N1 587820399 PEYAFYFWVUVUMV-PEBXRYMYSA-N 416.334 5.369 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2SC(C)(C)C)N1 587839933 JGQQYORAADTLJY-BLVKFPJESA-N 408.380 6.102 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Nc1ccc(C)cc1Cl 587860743 APPAJXXRBLEHPC-UHFFFAOYSA-N 409.795 5.620 0 1 HKAF CCCOc1cc2nc([C@@H]3CCc4ccc(OC)cc4C3)[nH]c2cc1Br 587935984 XYULBYWIAMPJKR-CQSZACIVSA-N 415.331 5.395 0 1 HKAF CCC[C@H](Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1)C(=O)OCC 653807565 PQHAVRUXNDRGCG-GOSISDBHSA-N 421.459 5.157 0 1 HKAF Cc1sc2c(c1C)CCN[C@@]2(C[C@](O)(c1ccccc1)C(F)(F)F)C(C)(C)C 963012663 QHMKKGVWTSZXAU-RTWAWAEBSA-N 411.533 5.592 0 1 HKAF CCc1ccc([C@@]2([C@H]3CC[C@H](C(=O)O)CC3)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963108858 PLTHMNPBNMQECR-RWGHFOQISA-N 421.556 5.543 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCC1OCCCO1)c1ccc(F)c(F)c1 963260547 YBWAZWZMXLERPW-CJAUYULYSA-N 415.524 5.408 0 1 HKAF COc1ccc(-c2cc(OC(C)=O)c3c(-c4ccc5c(c4)OCO5)c(N)oc3c2)cc1 1772571014 VCGRONLSFAGPFW-UHFFFAOYSA-N 417.417 5.012 0 1 HKAF Clc1ccc2[nH]c3c(c2c1)CCN(c1nc2ccc(Br)cc2s1)C3 1857546751 FXSCBSIWRCADKY-UHFFFAOYSA-N 418.747 5.756 0 1 HKAF Oc1ccc(-c2nc(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)no2)cc1 1857567925 RWOUSSGWLRBEDQ-UHFFFAOYSA-N 414.339 5.800 0 1 HKAF C=CC(=O)Nc1cccc(-c2ccc(NC(=O)Nc3ccc(C)c(Cl)c3)cc2)n1 1857749340 XTPVNGSRCXLMPE-UHFFFAOYSA-N 406.873 5.479 0 1 HKAF Cc1sc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1ccc(Cl)cc1 1857750497 ZFPRAXOYFZGPLE-UHFFFAOYSA-N 412.898 5.171 0 1 HKAF N=c1[nH]c(-c2cc(Cl)cc(C(F)(F)F)c2)c(C(=O)c2ccccc2Cl)s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c1ccc(F)cc1)c1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1 61908722 XRDAWOCIXQEBIO-NRFANRHFSA-N 417.509 5.499 0 3 HKAF c1ccc(CCCN2CCC(CCO[C@H](c3ccccc3)c3cccs3)CC2)cc1 3978823 UKJZZVOPNOUYAP-HHHXNRCGSA-N 419.634 6.589 0 1 HKAF COc1c(C)nc(C)c2c(OC)c(-c3c(C)cc(OC)c4c(OC)cccc34)ccc12 13221040 MRGWVJULKVHKDF-UHFFFAOYSA-N 417.505 6.015 0 1 HKAF biogenic CCCCN(C)C(=O)CCS[C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 13600960 WFWABMOYBVSPBB-HSZRJFAPSA-N 415.599 5.369 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(Cl)c(C)c1)Oc1ccccc1-3 13777119 MMQYPFTZXJAWGY-VWLOTQADSA-N 401.937 7.405 0 1 HKAF O=C(c1ncc(-c2c[nH]c3cc(Br)ccc23)[nH]1)c1c[nH]c2ccccc12 14768214 RMAWSNVDVKZXDX-UHFFFAOYSA-N 405.255 5.033 0 1 HKAF biogenic CC(C)(C)c1cc(-c2n[nH]c(-c3ccc(Cl)c(Cl)c3)n2)c(O)c(C(C)(C)C)c1 29566563 FDMGLNIIHVWWCS-UHFFFAOYSA-N 418.368 6.746 0 1 HKAF CCCC[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@@H]13 36221071 YLFVOHQBMMEFKC-HSMGJXEFSA-N 414.549 5.409 0 1 HKAF C=C/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C 43242297 YFJDHPRKGJEVKR-RLEGVFPPSA-N 422.741 10.771 0 1 HKAF COC1=CC(c2ccc[nH]2)=N/C1=C\c1[nH]ccc1Cc1ccc(Br)cc1 72142375 DMZUDPRDPQPIAZ-NDENLUEZSA-N 408.299 5.070 0 1 HKAF COc1ccc(-c2noc([C@H]3[C@@H](c4ccc(Cl)cc4)C[C@H]4CC[C@@H]3N4C)n2)cc1 84519294 UHKLODIEZLNQLP-PBASOCQRSA-N 409.917 5.133 0 1 HKAF c1ccc(CN[C@H]2C3[C@@H]4CCC[C@@H]3CN(C4)[C@H]2C(c2ccccc2)c2ccccc2)cc1 96902002 FYFPUCQHJNRILA-HHGOQMMWSA-N 422.616 5.707 0 1 HKAF CCN(CC)C(=O)[C@H]1Sc2ccc(F)cc2-c2c1c1ccccc1n2CCF 96909189 UFIIMXHKOVDWOD-NRFANRHFSA-N 400.494 5.432 0 1 HKAF Fc1cccc(F)c1[C@H]1CC(c2ccccc2)=NN1c1nc(-c2ccccc2)cs1 98084615 NVHYWKUOZQYRKY-JOCHJYFZSA-N 417.484 6.444 0 1 HKAF Cc1noc([C@H]2[C@@H](c3ccc(Cl)cc3)C[C@H]3CC[C@H]2N3C)c1-c1ccc(F)cc1 101165819 LVGMRPXHULTKRI-FQOCKNPQSA-N 410.920 6.176 0 1 HKAF N=c1c2c([nH]c(=S)n1-c1ccccc1)NC1=C(CCCC1)[C@H]2c1ccc(Cl)cc1 103164508 UMTGWNPTUZHQHQ-LJQANCHMSA-N 420.969 6.053 0 1 HKAF CC1=C(O)/C(=C/[C@@H](C)CCC/C(C)=C/CCc2coc(Cc3ccoc3)c2)OC1=O 106563916 GOKZWKYAKOVREM-DWBNJQNPSA-N 410.510 6.421 0 1 HKAF CN(c1ccccc1)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(C(N)=O)n1 114593494 HRVSVELWRVZJLP-UHFFFAOYSA-N 413.452 5.547 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](CO)CC[C@]4(C)[C@H]3CC[C@@]21C 139801576 XECDPPSJTBYLQR-MXTYQCKISA-N 402.707 7.572 0 1 HKAF CCc1cccc(CC)c1-c1cc(C)c2c(n1)CCN(c1cc(C3CC3)ccc1C)C2 146941490 HXRYMUGUXSNLGR-UHFFFAOYSA-N 410.605 6.930 0 1 HKAF Cc1cc(C)c2c(c1)[C@H](Nc1cc(-c3ccc4ncsc4c3)nc(C)n1)CCC2 205838734 CPOJZLJZZOFMIE-HXUWFJFHSA-N 400.551 6.168 0 1 HKAF COC(=O)[C@@H]1[C@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(Cl)cc2)cc1)C3 253634751 VPTOTYACZAFVTR-OJWPUJNBSA-N 421.968 5.684 0 1 HKAF COC(=O)[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccc(SC)cc2)cc1 253740403 VBCBQYQOZQQZBS-GNGCBZBRSA-N 405.563 5.115 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O 261496200 HHVQPBXBALLUDF-XAGYVCRXSA-N 418.662 5.618 0 1 HKAF endogenous,in-man C[C@H]([C@@H](O)CCC(C)(C)C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 299804673 SWBPHHNEYRLOHW-AHSADSPFSA-N 416.690 6.750 0 1 HKAF Cc1cc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)nc2cc1Br 586878642 IAYWVLGAJSSEQY-UHFFFAOYSA-N 421.294 5.974 0 1 HKAF Cc1c(-c2ccc(F)cc2C(F)(F)F)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586994274 XDVMKAOVWUYSOF-UHFFFAOYSA-N 421.393 6.888 0 1 HKAF Cc1cccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c12 587018622 KWTCVLVSVUGOCG-UHFFFAOYSA-N 402.350 6.628 0 1 HKAF CCCCCOc1cc2nc(-c3csc4c3CCOC4)[nH]c2cc1Br 587031893 NEEKDONGHWGBHA-UHFFFAOYSA-N 421.360 5.696 0 1 HKAF FC(F)(F)Oc1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Cl 587048611 ISJNLYQKZVFQAZ-SFYZADRCSA-N 421.633 6.693 0 1 HKAF COC(=O)c1cccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587073284 JHDRBDKARVPQDD-MNDPQUGUSA-N 416.908 6.176 0 1 HKAF FC(F)(F)c1cccc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 587114287 YLTTZZNPCUKPMZ-UHFFFAOYSA-N 421.014 5.169 0 1 HKAF Cc1c(Br)cnc2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc12 587125836 UCXHQFFQIPZAQL-DAXSKMNVSA-N 414.250 5.811 0 1 HKAF Cc1cc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2cc1Br 587159521 QFQSFEMQUQWWGV-UHFFFAOYSA-N 421.273 5.779 0 1 HKAF COc1cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1OC 587159961 ZOEQWHNSXMGWGR-NRFANRHFSA-N 412.848 5.541 0 1 HKAF Clc1cc(I)cc(-c2nc3cnc4ccccc4c3[nH]2)c1 587183262 BVWZZWAYOHATSO-UHFFFAOYSA-N 405.626 5.036 0 1 HKAF O=C(Nc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1)c1ccc(Br)o1 587208742 ADEYSVDCUHBOBA-UHFFFAOYSA-N 419.278 5.608 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(Br)cc(F)c2[nH]1 587235721 PRLYBNNBXBRTOM-DGCLKSJQSA-N 412.303 5.015 0 1 HKAF C[C@@]1(c2cc(Cl)cc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327896 IBLACWGVEGXPHQ-UNMCSNQZSA-N 417.263 6.112 0 1 HKAF Nc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1-2 587332244 FQKWOFGLHYGNSZ-XNMGPUDCSA-N 423.443 5.397 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H](c3cccnc3)C2)[C@H]1c1ccc(F)cc1 587336182 JJQNTROEAACQIV-LAMXGVLKSA-N 403.453 5.382 0 1 HKAF CCOC(=O)C[C@@H](C(C)=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587364086 WPXZMEJMHRBGCQ-IBGZPJMESA-N 417.461 5.282 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)sc3ccc(Cl)cc13)O2 587411649 FHTRCZXLGUWZJQ-AWEZNQCLSA-N 422.731 5.914 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccccc1C(=O)OC)CC2=O 587476276 AKAYNAHBXLZPAW-AREMUKBSSA-N 416.473 5.040 0 1 HKAF O=C1C[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)Oc2c1ccc1c2CCCC1 587509746 WXXWBNAYSZYXPK-QFIPXVFZSA-N 413.300 6.839 0 1 HKAF O=C1C[C@](c2cccs2)([C@@H]2O[C@@H]2c2ccccc2)Oc2c1ccc1c2CCCC1 587529951 BXOFAINBMBQWOQ-GPXOXTDOSA-N 402.515 5.628 0 1 HKAF COc1ncc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1C 587531079 JMXGIITVQUOURD-FQEVSTJZSA-N 405.519 5.712 0 1 HKAF Cc1cc(C)c(-c2csc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2)cc1C 587535953 QDDSPDMBMGYEMI-QHCPKHFHSA-N 403.547 6.321 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(Cl)cc2)N1 587693935 FRFNZKAZSAONHE-ODXCJYRJSA-N 419.725 5.656 0 1 HKAF CC(C)C[C@@]1(Cc2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587695484 BIFCEOQCKBUOSR-SZNDQCEHSA-N 424.785 6.260 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(F)(F)F)cc2)N1 587709533 AWTFWRJBTOVPFB-DYZYQPBXSA-N 418.228 5.153 0 1 HKAF COc1cc(Cl)cc(F)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587719834 LZPSKHCQJBDANB-QPFGOUBPSA-N 402.666 5.013 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2F)(C2CCCC2)N1 587726966 MZWZYOJTNULMLX-LRTDBIEQSA-N 406.314 5.695 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ccc(C(C)(C)C)cc32)N1 587816837 DVTPQSBDBVJBSR-PSLXWICFSA-N 416.378 6.000 0 1 HKAF Cc1cc(C)c2c(c1)CC(C)(C)C[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587824631 XXPLVBIRIBPYDA-NPMXOYFQSA-N 416.378 5.955 0 1 HKAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(Br)c(C)c(C)c2[nH]1 587926953 MHGUSWIFSQDGCO-CQSZACIVSA-N 403.320 5.501 0 1 HKAF Cc1ccc(Cc2nc3nc(C(=O)c4ccccc4)c(-c4ccccc4)c-3c(O)[nH]2)o1 653691233 LJERUVBCZQRMLO-UHFFFAOYSA-N 409.445 5.005 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@@]1(CCCC(=O)O)C1CCCCC1 962372920 KKSIQVLTNKARBM-HSZRJFAPSA-N 400.588 5.175 0 1 HKAF COc1ccc(Cl)cc1[C@@]1(CC(C)C)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962634336 UALSARHKVUGIIS-FYSMJZIKSA-N 417.977 5.532 0 1 HKAF CC(C)(C)[C@]1(c2cccs2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962646043 SLZWPXXHXNLRGX-BKMJKUGQSA-N 402.607 5.785 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C=C(SC)SC)(c2ccccc2C)N1 962944449 HYLNBWUFJZTECC-BXKMTCNYSA-N 408.636 6.212 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@]3(CC(C)(C)C)c1ccc(F)c(Cl)c1 963060796 XABBAHJBSPKYCN-XMMPIXPASA-N 412.936 5.861 0 1 HKAF Fc1cccc2c1[C@@H](c1ncc(-c3ccc(Br)cc3)[nH]1)N1CCC[C@H]1C2 963102099 KDPKYGDVCBUFKG-JXFKEZNVSA-N 412.306 5.088 0 1 HKAF CCCc1[nH]nc2c1[C@H](c1ccc(Cl)cc1)c1c(nc3c(c1N)CSCC3)O2 1772571474 XKXINMSHMLUBBF-INIZCTEOSA-N 412.946 5.068 0 1 HKAF COc1cc(/C=C/c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)cc(OC)c1 1772605942 BAKIZKAZCBTBGI-LDKZCNOQSA-N 403.453 5.665 0 1 HKAF COc1ccccc1CC[C@H]1CN(Cc2c[nH]c3cc(Cl)ccc23)CCC1(F)F 1772641521 OUZRJSBIXZKDFP-SFHVURJKSA-N 418.915 5.920 0 1 HKAF CCCc1ccc(-c2ccc(N(C[C@H](C)N)C(=O)[C@@H]3C[C@H]3c3ccccn3)cc2)cc1 1857555557 SKJLMFHMZPEUMB-QTLGCAHFSA-N 413.565 5.185 0 1 HKAF O[C@H](c1cc([C@@H]2CC3CCC2CC3)nc2c(Cl)c(Cl)ccc12)[C@@H]1CCCCN1 1857570336 XEULTWOBQMQZND-NLYQCLCFSA-N 419.396 6.011 0 1 HKAF CC1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](C)CC[C@]34C)[C@H]2[C@@H]1C 2356525593 UQSMQZZYUKDRFU-LSZULFPWSA-N 424.757 9.300 0 1 HKAF COc1ccc(C=C[C@@H]2CCC=C[C@@H]2c2cc(OC)c(OC)cc2OC)cc1OC 2356579193 UAIKPBWIUUZQGF-OALUTQOASA-N 410.510 5.493 0 1 HKAF CC(C)=CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)C=C[C@@]3(CC[C@H]2[C@@]1(C)C(=O)O)C4 2356604203 RRRHNFHOWMELHD-BAGMSWPUSA-N 400.559 5.528 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@](C)(CC[C@H](C)CC(=O)O)[C@@H]2CCC[C@@](C)(O)[C@]21C 2356604981 MQPZZRJJCAGMTC-SASLFPPVSA-N 422.606 5.359 0 1 HKAF CC(=Cc1csc(C)n1)[C@H](O)CC=CCCC[C@H](C)[C@H](O)[C@H](C)C(=O)C(C)C 2356639749 BUXAQZMQSTYYQK-RADBSXNGSA-N 407.620 5.191 0 1 HKAF CC(C)CC[C@@H]1C[C@H](CC2=CN[C](N)C=C2)C[C@@H]([C@@]23CC[C@@H]([C@H](N)C2)C(C)(C)O3)C1 2356844073 WTMGKIDUAXETRP-JJAPBWCESA-N 414.658 5.012 0 1 HKAF CC1=CCC[C@H]2[C@@](C)(CC/C(C)=C/C[n+]3cn(C)c4c(N)ncnc43)[C@H](C)CC[C@@]12C 13298352 NALGSOQQUZLOIK-BHIJVAKHSA-N 422.641 5.363 0 1 HKAF O=C(Nc1ccc2c(c1)CNC(=O)N2c1c(Cl)cccc1Cl)c1ccccc1 13588786 OKJYQTAQRBHZFW-UHFFFAOYSA-N 412.276 5.607 0 1 HKAF CCCCCCn1c2cc(C(F)(F)F)ccc2c2oc(C(=O)N3CCOCC3)cc21 26389408 WYXBXVROJLATRX-UHFFFAOYSA-N 422.447 5.459 0 1 HKAF Cc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cnn1-c1cccc(Cl)c1Cl 26668762 ZMNPNHAWQPWXSK-UHFFFAOYSA-N 414.214 5.759 0 1 HKAF C[C@H](Oc1ccc2c(c1)OC[C@@H](Cc1ccccn1)[C@@H]2O)c1ccc2ccccc2n1 27979806 PCOADGWBOALVHJ-RYGBOPQRSA-N 412.489 5.055 0 1 HKAF C[C@]1(C(=O)NC(=O)C23CC4CC(CC(C4)C2)C3)CCC[C@]2(C)c3ccccc3CC[C@@H]12 28526118 IEPOYBLCAUUPJP-GDCRIOODSA-N 419.609 5.556 0 1 HKAF CCOc1ccc(-n2c(C)c3c(C)nnc(N[C@@H]4CCc5ccccc54)c3c2C)cc1 28569193 JOMIPJZFYFZAAL-HSZRJFAPSA-N 412.537 5.844 0 1 HKAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4N(C)C(=S)CC[C@@]4(C)[C@@H]3CC[C@]12C 29408891 UYQBCVKVDBCQNJ-FRTLKMCASA-N 404.664 5.135 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(CO)cc2)C(C)(C)CCC1 40845091 OYWKZDZNPGOAOO-PPBWNBFDSA-N 405.582 6.649 0 1 HKAF Cc1ccc(S(=O)(=O)Nc2sccc2-c2nc3ccccc3s2)cc1F 43063859 REKSOFQCYQJPDW-UHFFFAOYSA-N 404.513 5.273 0 1 HKAF O=C(c1cc2ccccc2o1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1Cl 71296215 MKWYROQDEXXERI-NRFANRHFSA-N 400.865 6.078 0 1 HKAF CC(=O)[C@H]1[C@H](NCc2ccccc2)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 71329259 WVPKGCIRBRCVAQ-JPNMGIMYSA-N 421.625 5.284 0 1 HKAF O=c1c2c([nH]c3ccc(-c4cccc(Oc5ccc(F)cc5)c4)cc13)CCSC2 72112779 PWIHPSSRBNEDSL-UHFFFAOYSA-N 403.478 5.916 0 1 HKAF C[C@@H](c1ccccc1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 72178941 VOWLEUTUOQTSJA-IBGZPJMESA-N 414.980 6.493 0 1 HKAF CC[C@H](C)[C@@H](NCc1ccc(C)cc1)c1nc(-c2ccccc2)c(N2CCCCC2)o1 72181946 PGQOKPXTBCLMFQ-XUZZJYLKSA-N 417.597 6.517 0 1 HKAF c1ccc(-c2nc(NCC3CCCCC3)ncc2-c2nc3ccccc3s2)cc1 82162607 TVZSXBOZWFASFU-UHFFFAOYSA-N 400.551 6.413 0 1 HKAF CCC(CC)c1nc2c(NCc3ccc(C)cc3)ncnc2n1CC[C@H]1CCCN1C 82179384 AHZSGWKQEQDHHT-OAQYLSRUSA-N 420.605 5.135 0 1 HKAF CC(C)(C)c1nc2ccc(-c3ccsc3)nn2c1-c1cccc(-c2ccccc2)c1 96927449 IVTJMGKFMGASMU-UHFFFAOYSA-N 409.558 7.089 0 1 HKAF COc1cc(F)c([C@@H]2CCCC(=O)N2Cc2ccc(OC(F)(F)F)cc2)c(F)c1 167025063 RRJYXCDXJRDYBZ-KRWDZBQOSA-N 415.358 5.126 0 1 HKAF COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(SC)cc1 169696932 IUQRETOXVYWLAA-HXUWFJFHSA-N 407.539 5.188 0 1 HKAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1nnc(-c2ccccc2)o1 169722348 QNOGFWABIAKDCW-RTBURBONSA-N 424.291 5.719 0 1 HKAF CCc1ccc(-c2nsc(CC)c2COc2ccc(CCC(=O)O)c(C)c2C)cc1 217612530 ZGQGKHWHGMQQJZ-UHFFFAOYSA-N 423.578 6.148 0 1 HKAF COC(=O)[C@@H]1[C@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(C)cc2)cc1)C3 253855607 VRRMSKNGCUBGOY-UVAVULTGSA-N 401.550 5.339 0 1 HKAF CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1C1CCCCC1)c1ccc(-c2ccccc2)cc1 299858918 FDPGDXGPRMRMPH-MPKDPQEWSA-N 418.625 6.276 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)cc1 586878379 FYJPRCXWFMQRGY-UHFFFAOYSA-N 414.358 6.061 0 1 HKAF Cc1c(-c2ccc(F)c(C(F)(F)F)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586986880 QFAWHPZCOARCLQ-UHFFFAOYSA-N 423.365 6.285 0 1 HKAF CCOC(=O)[C@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)-c2ccccc21 586993246 VWWBDZODDUFLKW-SFHVURJKSA-N 421.452 5.022 0 1 HKAF Clc1c[nH]c2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc-2n1 586998573 MVVOQSHUBOXLMQ-SOFGYWHQSA-N 401.651 5.151 0 1 HKAF Cc1cc(Br)cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 587064172 CFGRJONNPBTKSD-UHFFFAOYSA-N 417.690 6.126 0 1 HKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cccc(I)c2[nH]1 587068480 BLODAWVPJTZRIB-JTQLQIEISA-N 424.669 5.197 0 1 HKAF CCn1cc(Br)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)n1 587102440 STNFWHILQIRNFQ-UHFFFAOYSA-N 404.267 5.092 0 1 HKAF C[C@@H](c1nc2cccc(C(C)(C)C)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128931 FXQNDGBEWVHLHN-QMMMGPOBSA-N 402.823 6.195 0 1 HKAF CC(C)Oc1cc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2cc1Br 587131563 NYDMKQZYVMYENQ-UHFFFAOYSA-N 421.285 5.994 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3c(Cl)c(Cl)cnc3[nH]2)c(Cl)c1 587159905 XZYSLZSPWLBSQC-KRWDZBQOSA-N 422.674 6.226 0 1 HKAF COc1cc2nc(-c3ccc(NC(=O)Cc4ccccc4C)cc3O)[nH]c2cc1Cl 587240270 HUEYFMKMNOBHND-UHFFFAOYSA-N 421.884 5.087 0 1 HKAF CC[C@@]1(C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326745 CSNYQGVURPXZQL-DOTOQJQBSA-N 404.306 5.237 0 1 HKAF COc1cccc(-c2cc([C@H](C(C)=O)c3ccccc3)nc3c2oc2ccccc23)c1 587366137 SIXGMMCIDWHFGA-RUZDIDTESA-N 407.469 6.378 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(C(C)C)nn(Cc4ccccc4)c1Cl)[C@@H](C2)C3=O 587419091 CKNKJICUDWURRC-GAJHUEQPSA-N 422.912 5.206 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587421522 LJTJYSFREJGNQB-WMZHIEFXSA-N 410.391 5.405 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1ccc(Cl)c(N)c1)CC2=O 587460030 KYUQYADOGCGPME-RUZDIDTESA-N 421.924 5.798 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1O)(c1ccccc1Cl)CC2=O 587463163 VJRTZQOSTARDIC-VWLOTQADSA-N 422.908 5.921 0 1 HKAF Cc1ccc([C@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587502589 DAXLBJFCTSKFLZ-SANMLTNESA-N 402.921 6.436 0 1 HKAF O=C1C[C@@H](c2cccc(OCc3ccc(F)cc3)c2)Oc2c1ccc1c2CCCC1 587510881 YTHQCGFJDIXVPL-VWLOTQADSA-N 402.465 5.990 0 1 HKAF CC(C)(C)c1ccc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587545794 PNDYONOGTGTRGW-NFBKMPQASA-N 408.881 6.046 0 1 HKAF CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(C)C 587597270 QLIJJFYYBSMVOL-WIOPSUGQSA-N 404.462 5.617 0 1 HKAF CC(C)=CCC/C(C)=C\CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603800 RQRJUFZBXZEUEM-ODJMLSMJSA-N 406.522 6.585 0 1 HKAF CCCCCc1ccc([C@@]2(CC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587603945 SLQAJMDSVHNKSN-SHQCIBLASA-N 416.517 6.392 0 1 HKAF CCc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 587618910 VLAKRDGGKRLSDU-OZXSUGGESA-N 412.441 5.918 0 1 HKAF C[C@@H](C(=O)O)c1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622022 UQEMEOUSBSLCFI-MRVPVSSYSA-N 418.678 5.315 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cccc(Br)c3)c2c1 587641117 KANIDVHCJUFNHP-NSHDSACASA-N 424.260 6.694 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3ccccc3Cl)c2)N1 587692129 AWDFAZZNHJLQCS-JEOXALJRSA-N 420.713 5.051 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(Cl)c(Cl)cc32)N1 587703724 ZLYJSNIZBXKSHD-DYBLOJMWSA-N 415.133 5.619 0 1 HKAF Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1C 587758405 XLPMHXZSVHBAFS-GTJPDFRWSA-N 401.323 5.186 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccccc3)cc2)N1 587815654 OHLCASWRMUFLQS-WNSKOXEYSA-N 410.330 6.053 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCCC3)Oc3ccccc32)N1 587837767 KZZIHIXLCABKOQ-FPTDNZKUSA-N 416.334 5.461 0 1 HKAF Oc1cc(-c2ccco2)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 587941463 PDPLGLYFIJWPPA-UHFFFAOYSA-N 413.471 6.416 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(C)cnc2[nH]1 587961076 RHMWFJYEDTZXLJ-WGIJKTCHSA-N 417.641 8.121 0 1 HKAF COc1ccc([C@@H]2C(=O)c3ccc(OC)cc3[C@H]2c2ccc(C(F)(F)F)cc2)cc1 653721770 SGWVFRFJQFWGSE-YADHBBJMSA-N 412.407 5.835 0 1 HKAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)/C=C/c1ccccc1 653871490 APNIJBVWSHJMSR-PUQGJHGKSA-N 415.621 6.650 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@]2(CCc1ccc(Cl)cc1)c1ccccc1 963100651 CGZVLUFZCWRTHV-AOYPEHQESA-N 405.944 6.376 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cn(C(=O)OC(C)(C)C)c2cc(C)ccc12 963240538 KKBZHEKXSQMABX-DFBJGRDBSA-N 418.581 6.479 0 1 HKAF O=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1ncc(-c2ccccc2)[nH]1 1772573807 MGYZMBWNGIKJEE-UHFFFAOYSA-N 412.518 5.076 0 1 HKAF Cc1cc(=O)oc2cc(OCc3cc(-c4cccc(OC(F)(F)F)c4)no3)ccc12 1772646194 QQIVDGWNLLHUTO-UHFFFAOYSA-N 417.339 5.234 0 1 HKAF O=C(Nc1ccc(F)c(Cl)c1)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 1857545419 ZBENQXATCDLKBU-LJQANCHMSA-N 421.324 6.374 0 1 HKAF Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)c(C(F)(F)F)c1 1857558448 DXKGDQAHEOKFOB-UHFFFAOYSA-N 410.355 5.657 0 1 HKAF COc1ccc(OC)c2c1C[C@@H]1c3cc(Cc4ccc(C)cc4)sc3CCN1C2 1857643051 WRKURZZFIYSKCQ-JOCHJYFZSA-N 405.563 5.320 0 1 HKAF COc1ccc2c([C@@H]3CC(c4ccncc4)=NO3)cn(Cc3ccc(Cl)cc3)c2c1 1857767163 KDPVLPOEPBIHOX-DEOSSOPVSA-N 417.896 5.612 0 1 HKAF CC(C)(C)OC(=O)N1CC=C(c2nc(COc3ccc(Cl)cc3)cs2)CC1 1911580687 XNYKAPQLCBFLFR-UHFFFAOYSA-N 406.935 5.400 0 1 HKAF CC(C)=C[C@@H]1C[C@]2(C)[C@H](CC[C@@]3(C)[C@@H]2CC[C@H]2C[C@@]4(O)c5ccccc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c1ccc(S[C@@H](c2ccccc2)[C@H](Cn2cncn2)C(=O)c2ccccc2)cc1 630015 GDETUBNMIJXRHY-NOZRDPDXSA-N 413.546 5.619 0 3 HKAF aggregator FC(F)(F)c1ccccc1NC(=S)O[C@H]1CCC12CCC(c1ccccc1)CC2 96019268 UXBLMPMSJZTNAU-DHHCDUQHSA-N 419.512 6.925 0 3 HKAF CN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)N(C)C(=O)c1ccccc1S2 6795812 PQHZWMJPVGUHEL-UHFFFAOYSA-N 403.507 5.092 0 1 HKAF COc1cc(OC)c2c(c1-c1ccc(OC)c3c(OC)cc(C)cc13)C[C@H](C)N[C@H]2C 13359122 DVVAMMKTYAWPGW-HOTGVXAUSA-N 421.537 5.445 0 1 HKAF biogenic,in-vitro CCOc1cc2c(Nc3cccc(-c4csc(C)n4)c3)ncnc2cc1OC(C)C 13490855 GRONMHVDAUBCOX-UHFFFAOYSA-N 420.538 5.991 0 1 HKAF Cc1ccc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c2c1 13737644 KITCISNOGDGHMA-UHFFFAOYSA-N 423.850 6.786 0 1 HKAF CC[C@@H](C)CCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)O 14490975 FMVRIKNURVCXAV-RPBOFIJWSA-N 412.699 8.280 0 1 HKAF biogenic COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)cc1CC=C(C)C 14780782 UJHSMBNEFBESCZ-DEOSSOPVSA-N 422.521 5.830 0 1 HKAF biogenic C[C@H]1C(=O)c2c(n(O)c3ccc(Cl)cc3c2=O)C[C@@H]1c1ccc(C(F)(F)F)cc1 27089437 QLVIVHXZZLRTME-YGRLFVJLSA-N 421.802 5.070 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C=C(C(=O)O)CC[C@@H]4[C@@H]3CC[C@]12C)C(C)C 28021291 MPQGKRPBJJRBJF-PSTHNHHJSA-N 413.602 5.442 0 1 HKAF CCn1cc(-c2ccc(Cl)c(Cl)c2)c([C@H](c2ccc(C)cc2)n2ccnc2)c1 28468267 QXVLNLCAKWSGDD-QHCPKHFHSA-N 410.348 6.624 0 1 HKAF COc1c(C/C=C/c2ccccc2)cc(C/C=C/c2ccccc2)c(OC)c1OC 28712289 YINOISYKRDFOQJ-OTYYAQKOSA-N 400.518 6.224 0 1 HKAF COc1ccc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc1OC1CCCC1 28827113 JVRMWPFNOXAMFI-UHFFFAOYSA-N 421.541 5.234 0 1 HKAF in-vitro Cc1ccc(-c2ncc(C(=O)NCCCc3ccccc3)nc2-c2ccc(C)cc2)cc1 28900241 XTVZJIDRTVYPDT-UHFFFAOYSA-N 421.544 5.790 0 1 HKAF CCCN(CCC)c1c(C)nc(-c2ccc(OC(F)F)cc2OC)c2ccccc12 29037806 SHBHKMNEKPIWEC-UHFFFAOYSA-N 414.496 6.447 0 1 HKAF Oc1c(Cl)cc(Cl)cc1-c1n[nH]c(-c2ccc(Cl)c(C(F)(F)F)c2)n1 29566262 UTGCLZZAYZZQLY-UHFFFAOYSA-N 408.594 5.823 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34743351 NWNQHWKXHQAOFV-VIGREOPSSA-N 416.690 6.606 0 1 HKAF CCCCc1ccc(-c2ccc3c4c([nH]c3c2F)-c2ccc(NC(N)=O)cc2C4)cc1 34893035 KKBLOZLONJYASM-UHFFFAOYSA-N 413.496 6.378 0 1 HKAF C[C@@H]([C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)[C@H](O)CCC1CC1 40434670 HNXXYUFJNVUPGA-YHASYPDLSA-N 400.647 6.114 0 1 HKAF COc1ccc(-c2nn3c(-c4cc(Cl)cc(Cl)c4Cl)nnc3s2)cc1 40860962 POVOQWIKTYFEOP-UHFFFAOYSA-N 411.701 5.489 0 1 HKAF Cc1c(CNC2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccncc1 40892467 QZZUCTNRIBFCHE-UHFFFAOYSA-N 401.341 5.582 0 1 HKAF O=C(O)c1ccccc1-c1ccc(CCc2ncc(CC3CCCCCC3)[nH]2)cc1 49089520 PZIMJMNMONEFTO-UHFFFAOYSA-N 402.538 6.073 0 1 HKAF Fc1ccc(C2=CCc3ccccc3N=C2N2CCN(C3CCCCC3)CC2)cc1 49918240 CQLUWTNFMFJQRG-UHFFFAOYSA-N 403.545 5.446 0 1 HKAF COc1cc(OC)cc(-c2cn(C/C=C(/C)CC/C=C(\C)CCC=C(C)C)nn2)c1 59242911 YHQFPHOBTLRYEX-YHRCPZTASA-N 409.574 6.382 0 1 HKAF C/C=C(\C)[C@H](O)[C@H](C)/C=C(C)/C=C/C[C@H](C)/C=C/c1oc(OC)c(C)c(=O)c1C 72116150 PIYNCLUPGLBENL-MLMPLHRLSA-N 400.559 5.770 0 1 HKAF Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 72118483 AIUKQQTVLYQBTP-RUZDIDTESA-N 406.485 5.513 0 1 HKAF CCCCCn1c(-c2cccc(O)c2)nc2c(NCCCc3ccccc3)ncnc21 82179807 MIMIEPZQSUNTBX-UHFFFAOYSA-N 415.541 5.434 0 1 HKAF Brc1cccc(Nc2ncnc3cc4c(cc23)Oc2ccccc2O4)c1 84689666 VUFCYGUKLPCBBQ-UHFFFAOYSA-N 406.239 6.034 0 1 HKAF CC(C)C1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCCCC1 96175037 SZEFAMSQHIRNOF-UHFFFAOYSA-N 400.526 5.930 0 1 HKAF CCCCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(N(C)C)cc1 100703595 PXGKEXVLDDRWPB-GOSISDBHSA-N 424.570 5.354 0 1 HKAF CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C)s2)C2=C(O)CC(C)(C)CC2=N1 104008095 URIQQZCOIFGORV-HSZRJFAPSA-N 421.562 6.244 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@]34C)[C@@H]1CC=C2c1cncc(Cl)c1 141091740 GHXGGVKSLVDREB-PNBQFJDOSA-N 400.006 6.522 0 1 HKAF CC(C)(C)N(Cc1ccccc1Br)Cc1ccccc1Br 169310857 QLMVYEJSJIQMFZ-UHFFFAOYSA-N 411.181 6.012 0 1 HKAF CCC(=O)C(CCCCCCc1ccc(OC(=O)c2ccc(C)cc2)cc1)C(=O)CC 169342190 YSNZFTYUKLBWKS-UHFFFAOYSA-N 422.565 6.282 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 255222157 JZVFJDZBLUFKCA-WQBNVXOTSA-N 412.702 7.801 0 1 HKAF Brc1ccc(-c2nc3ccc(Nc4ncnc5ccccc45)cc3[nH]2)cc1 299827803 IABQJUAIUTYRSV-UHFFFAOYSA-N 416.282 5.679 0 1 HKAF Cc1ccc(SCc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c(C)c1 586963125 DUZGXBCTAWTJFL-UHFFFAOYSA-N 419.388 6.269 0 1 HKAF COc1cc(/C=C\c2nc3cc(Br)cc(C)c3[nH]2)ccc1Br 586976451 KUIUTIRGVHNFOB-XQRVVYSFSA-N 422.120 5.575 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]3c1ccc(C(F)(F)F)cc1 586985353 CIKZTVHVZGMIOC-INIZCTEOSA-N 417.386 5.859 0 1 HKAF Fc1c(Br)cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1F 587033637 YGTINPJCMNAOEV-UHFFFAOYSA-N 420.282 5.612 0 1 HKAF Cc1nc2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc2cc1Br 587074797 ZQIKGUUWGAATON-INIZCTEOSA-N 405.727 5.019 0 1 HKAF Fc1cc(Br)cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12 587084520 BMSUSSUPLZFAJH-UHFFFAOYSA-N 403.642 5.242 0 1 HKAF COc1cc(OC)c2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 587109272 FQCVUPMRJZFDEZ-UHFFFAOYSA-N 404.310 5.209 0 1 HKAF COC(=O)c1cc2nc(-c3cc(F)c(C)c(F)c3)[nH]c2c(F)c1Nc1ccccc1 587133401 VICOEMCBIKEZNT-UHFFFAOYSA-N 411.383 5.486 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cccc(C(C)(C)C)c3[nH]2)c(F)c1 587144374 JPQJIZTWCXIKNQ-UHFFFAOYSA-N 402.469 6.340 0 1 HKAF Fc1ccccc1-c1cccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 587153088 LBIMDHAUXOASBQ-UHFFFAOYSA-N 401.666 6.452 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2cc3ccccc3o2)(C2CC2)[C@@H]1c1ccc(F)cc1 587351751 JKHOVAAIZJRHBQ-AOYPEHQESA-N 414.432 5.942 0 1 HKAF CCO[C@H](C)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587352000 VTZBIOWCFCFUFB-GCNYQIMJSA-N 420.480 5.903 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(N)cc2CCC3)c1 587362694 JOFXBRZARWXWME-UHFFFAOYSA-N 406.485 6.395 0 1 HKAF CCOC(=O)[C@@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C[C@@H]1C 587363737 UAQNYZNQPCHWCY-HNAYVOBHSA-N 415.489 5.571 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCc3sc4ccccc4c32)[C@@H]1c1ccc(F)cc1 587373630 MJMYXLPXVYNRAM-RCZVLFRGSA-N 416.473 5.947 0 1 HKAF Cc1cc([C@@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)s1 587376245 PEOIIGYXYJAONP-LADGPHEKSA-N 410.510 6.120 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3ccc(Cl)c(Cl)c3)o1)O2 587376928 DTEGFJRTXCBJLK-HXUWFJFHSA-N 418.276 5.763 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(C)c(C)c3)nc3c(C)cccn13)O2 587393284 DZSFTNQYSWJTGS-JOCHJYFZSA-N 411.505 5.524 0 1 HKAF CCOc1ccc([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(OCC)c1 587397924 CBPULLKMEZCNRJ-SANMLTNESA-N 417.505 5.284 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(OCc3ccccc3)c3ccccc3c1)O2 587399071 IJOAORJZQLDOPT-RUZDIDTESA-N 409.485 6.016 0 1 HKAF CCCC[C@H](CC)COc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441099 JCAULZWGPJMRFL-RRFXTLBOSA-N 408.538 5.953 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@@H](C2)C3=O 587445820 OIGXHLZEYIUSQR-AEEPYMCMSA-N 422.609 7.401 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1nc3ccccc3cc1Br)CC2=O 587456724 AQSPPQCBNGJPLM-LJQANCHMSA-N 412.283 5.362 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(F)c(OCc3ccccc3)c1)CC2=O 587467964 VGMJDRWPOQPCID-QHCPKHFHSA-N 406.453 5.769 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccc(O)c(C)c3)cc1)CC2=O 587492734 YJOYQCUJGFDVFX-AREMUKBSSA-N 402.490 5.906 0 1 HKAF Cc1cc(C)cc(OCc2nc3cc(Br)c(Br)cc3[nH]2)c1 587565091 VBYQCBDMRGWILR-UHFFFAOYSA-N 410.109 5.284 0 1 HKAF C[C@H]1C[C@@H](C)CN([C@@H]2CCCC[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 587583306 ROIXXHASFJYUFN-RBYKYKMOSA-N 421.537 5.013 0 1 HKAF CCCCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599524 GKAOVJBILWEKCO-JYFHCDHNSA-N 402.490 6.220 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1cccs1 587615602 XHQJRKDXCRKQDP-XUZZJYLKSA-N 400.455 5.824 0 1 HKAF Cc1c(-c2ccc(C(F)(F)F)cc2F)[nH]c2c1c(Br)cc1n[nH]cc12 587622350 LLGNQYWOZUDZIU-UHFFFAOYSA-N 412.184 5.940 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(-c3cccc(F)c3)c2c1 587643392 TYPAGPOHOUCIQA-CQSZACIVSA-N 412.335 8.461 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OC(F)(F)F)cc2)N1 587723421 WTXFKWCBEWVNCR-QGHHPUGFSA-N 418.228 5.285 0 1 HKAF CCc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587757338 UVJOQWRLSICKMD-PEBXRYMYSA-N 413.334 5.565 0 1 HKAF CCCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587797101 VRCIUUBERKYHIO-YEJXKQKISA-N 422.338 5.399 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCCC(=O)O)(c2ccccc2)N1 587827612 LDQBEPJEVMXYEA-SZNDQCEHSA-N 420.322 5.011 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(Cl)cccc3s2)N1 587859604 XOOHJMPCIZFTDB-LZVRBXCZSA-N 410.739 6.080 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccccc1Cl 587861717 UAJASPNEWXVKHF-LBPRGKRZSA-N 424.806 5.339 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncnc2sc3c(c12)CCC3 587864902 SZTVLVCKDOUGFW-UHFFFAOYSA-N 416.428 5.060 0 1 HKAF O=C([C@H]1CCCN(Cc2ccccc2Cl)C1)n1nc2cc1Oc1ccc(F)cc1-2 587873412 AYYKEXKAAOANET-HNNXBMFYSA-N 411.864 5.001 0 1 HKAF COc1ccc2c(c1OC)[C@@]1(CC3(CCCCC3)Oc3cc(O)ccc31)N(C)[C@@H](C)C2 962626790 NYENCWUIURKDNS-QLXKLKPCSA-N 423.553 5.015 0 1 HKAF Fc1ccc([C@@H](c2ccccc2)[C@H]2c3ccsc3CCN2Cc2ccco2)cc1 962709923 KNRRLFDANBFPDT-JWQCQUIFSA-N 403.522 6.412 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(Cl)cc2)(c2ccc(C)nc2)N1 962946765 JDBMVWCATRLMAS-NLFFAJNJSA-N 401.941 5.741 0 1 HKAF CC(C)(C[C@]1(c2ccc(Cl)s2)NCCc2c(Cl)cc(Cl)cc21)C(=O)O 963109120 OTGBHPGHAIJMQH-SFHVURJKSA-N 418.773 5.599 0 1 HKAF COc1ccc(-c2ccc(F)cc2Cl)cc1[C@H](CC(=O)O)c1ncc(C)s1 1772593891 PRGBHQLNOZHRJD-INIZCTEOSA-N 405.878 5.526 0 1 HKAF Cc1cccc(NC(=O)CCSc2ccc3c(/C=C/c4ccccn4)[nH]nc3c2)c1 1857602820 IBCZQCDMSLACIB-DHZHZOJOSA-N 414.534 5.558 0 1 HKAF COc1cc(OC)c(OC)cc1/C=C/COC(=O)/C=C/c1ccc(C(F)(F)F)cc1 1857611553 URBXVRHXOQSUKD-OCJIRGAFSA-N 422.399 5.001 0 1 HKAF O=C(O)COc1ccc(NCc2cccc(-c3ccccc3C(F)(F)F)c2)cc1F 1857621348 YBZZWMVMQHZXIN-UHFFFAOYSA-N 419.374 5.587 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356584547 HXQRIQXPGMPSRW-GHUWSRSZSA-N 400.691 7.613 0 1 HKAF CCCCN(C=O)c1c(CC)nc2c(OCc3ccc(Cl)cc3Cl)cccn12 61897653 OKAWDYFJMMOXPO-UHFFFAOYSA-N 420.340 5.545 0 3 HKAF Cc1cc(Br)cn2c(Cc3cccc(F)c3)c(C3CCCCC3)nc12 72138370 ZIMADQKTSKHVEM-UHFFFAOYSA-N 401.323 6.183 0 3 HKAF CCC(NC(=O)N(C1CCCCC1)C1CCCCC1)(C(F)(F)F)C(F)(F)F 3189034 ZBPROGCYSRPYSC-UHFFFAOYSA-N 402.423 5.937 0 1 HKAF biogenic CC(C)=CCC/C(C)=C/COc1ccc2c(=O)c(-c3ccc4c(c3)OCO4)coc2c1 14489971 SGXJZIPHRSORAX-WOJGMQOQSA-N 418.489 6.260 0 1 HKAF CCCCCCc1ccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1 14979915 KNXFTSUMHKYJME-UHFFFAOYSA-N 418.581 7.235 0 1 HKAF Cc1ccc(-c2ccc3c(c2)SCc2c-3nc3ccc(F)cc3c2C(=O)O)cc1 26849709 UCKGWAAZCUESGP-UHFFFAOYSA-N 401.462 6.320 0 1 HKAF CC(C)(C)c1ccc(Nc2noc3c(C(=O)Nc4cncnc4)c(Cl)ccc23)cc1 40949541 IYVUYLAUPKYTIO-UHFFFAOYSA-N 421.888 5.565 0 1 HKAF O=C(N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1)c1ccccc1-c1ccccc1 43068561 FGPQEWJLDPWKKV-RUZDIDTESA-N 424.519 5.650 0 1 HKAF O=C(Nc1ccncc1)C(=O)c1cn(-c2ccc(Cl)cc2Cl)c2ccccc12 45358433 KNJWFXIDBLSGDT-UHFFFAOYSA-N 410.260 5.154 0 1 HKAF O=C(COc1ccc(Cl)cc1)N1CCCn2cccc2[C@@H]1c1ccc(Cl)cc1 45384681 YWPBEWHYQIFILT-QFIPXVFZSA-N 415.320 5.196 0 1 HKAF NCCS[C@@](Cc1ccccc1)(c1ccccc1)c1ccc(Cl)c(Cl)c1 84653513 PBANVAMHRBGQGT-QFIPXVFZSA-N 402.390 6.172 0 1 HKAF CC(C)(Oc1ccc(CCCOc2ccc(C(=O)c3ccccc3)cc2)cc1)C(=O)O 95559869 XXMCSZSORHXNST-UHFFFAOYSA-N 418.489 5.171 0 1 HKAF Cc1ccc([C@@H]2N(C)c3ccccc3C(=O)N2c2ccccc2Cc2ccccc2)s1 95584435 BZXFDSXQSJHTJZ-AREMUKBSSA-N 424.569 6.443 0 1 HKAF O=C(N[C@@H]1CCC[C@H]1c1ccccc1)C1CCN(c2nc3cc(Cl)ccc3o2)CC1 95598314 VDADWYKVUHMQAE-VQTJNVASSA-N 423.944 5.150 0 1 HKAF O=C(Nc1cccc2cccnc12)c1ccc(N2C[C@@H](c3ccccc3)CC2=O)cc1 96909092 IZOKTXQAWGRXBN-NRFANRHFSA-N 407.473 5.008 0 1 HKAF CCN(C)CCCCN1CCN(CCCCCCCCCOc2ccccc2)CC1 103184494 XJZONJKJCXUGHY-UHFFFAOYSA-N 417.682 5.146 0 1 HKAF COc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccc4ccccc4c32)c1OC 103866083 QYLGNCQDTTXGMS-DEOSSOPVSA-N 413.517 6.707 0 1 HKAF CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)[C@H]1CC[C@H](Nc2ccccc2)C1 114097421 TVTVNRYRJNAIKK-GMAHTHKFSA-N 422.569 5.113 0 1 HKAF C[C@H]1C[C@H]1c1cc(NC(=O)Nc2cccc(Br)c2)n(-c2ccccc2)n1 204748803 ODWYWUPYYUEYGH-SUMWQHHRSA-N 411.303 5.402 0 1 HKAF C[C@H](CN1CCCC[C@H]1C1CCCCC1)c1cccc(C(=O)c2cccc(Cl)c2)c1 253634985 RAPYNFSWBKJBOC-IBVKSMDESA-N 424.028 7.109 0 1 HKAF Fc1cc(Cl)cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 587011531 PNTICCTVMUJILK-UHFFFAOYSA-N 414.914 7.122 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(-c4sc(C5CC5)nc4C)[nH]c3c2)cc1 587011798 KOXBIANFRGXQAD-UHFFFAOYSA-N 405.479 5.451 0 1 HKAF COc1cc(OC)c2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2c1 587014931 AEPXARLNQPFUAV-UHFFFAOYSA-N 406.294 5.677 0 1 HKAF CC(C)Oc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587025802 IETXPHKEHVAHBM-HSQYWUDLSA-N 423.582 5.487 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587033907 KFIPCOBTDOILJN-LBPRGKRZSA-N 419.884 5.980 0 1 HKAF Clc1ccc(-c2cccc3ccccc23)cc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 587050291 NSDGGQHEFCZMPH-UHFFFAOYSA-N 424.718 7.405 0 1 HKAF Cc1ccc2c3c(cc(Cc4ccc(-c5ccccc5)cc4)nc13)-c1ccccc1C2=O 587099565 NCOOWSXPFANOBN-UHFFFAOYSA-N 411.504 7.012 0 1 HKAF COc1cc(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc(OC)c1OC 587106728 LHWDVKYEXMTUAJ-UHFFFAOYSA-N 411.457 5.063 0 1 HKAF FC(F)Oc1ccc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)cc1 587131005 VIXJHRMLFCFOBS-UHFFFAOYSA-N 407.136 5.613 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCc3c2[nH]c2ccccc32)[C@H]1c1ccc(F)cc1 587346864 NURCITAMRXFTHN-JYFHCDHNSA-N 413.448 5.603 0 1 HKAF COc1cccc(-c2cc(CC(=O)c3nccs3)nc3c2oc2ccccc23)c1 587366994 RUPHIECYUDIRHE-UHFFFAOYSA-N 400.459 5.539 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(C)cc4C)nc4sccn14)[C@@H](C2)C3=O 587449658 CEDPCCNNSSZCGU-SBUREZEXSA-N 416.502 5.177 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(Sc4ccccc4Cl)cc1)[C@@H](C2)C3=O 587454198 XAFDJJCSNBHEDW-SBUREZEXSA-N 408.906 5.989 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](CCC)N1CCCC1)CC2=O 587473750 BWAOVQBDHCHWOL-AZGAKELHSA-N 407.554 5.470 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(C)cc3)nc3sccn13)CC2=O 587496872 AKGKDRQVEKMRRK-HXUWFJFHSA-N 418.518 5.736 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(O)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501518 OSBIUIYXQUCGOK-NRFANRHFSA-N 422.912 5.184 0 1 HKAF O=C1C[C@](CC2CC2)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 587503548 ORWYHSCJNJWFED-HSZRJFAPSA-N 411.339 5.989 0 1 HKAF O=C1C[C@@H](c2ccc(-c3ccc(F)c(Cl)c3)cc2)Oc2c1ccc1c2CCCC1 587505232 LVZHYOSJALPYPK-DEOSSOPVSA-N 406.884 6.731 0 1 HKAF CC(C)=CC[C@@H]1C(=O)c2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587522652 GDNNXRRFDXFSHE-ZBLYBZFDSA-N 414.501 5.164 0 1 HKAF C[C@@H](Oc1ccc(-c2ccccc2)cc1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587524449 QQNFJILPUANZRX-GDJIYFAZSA-N 412.529 6.424 0 1 HKAF CC[C@@]1(c2c(Cl)cccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540538 AYXMHBMVXRSLRW-KNQAVFIVSA-N 415.272 5.966 0 1 HKAF CCOC(=O)c1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2c(C)cc(Cl)cc12 587626043 BYUFJBOIFXMIMD-CQSZACIVSA-N 420.937 5.421 0 1 HKAF Cc1ccc2c(C)cc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nc2c1C 587661473 PDLKSYIWOBEXNC-UHFFFAOYSA-N 409.464 5.665 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3cccn3)c(Cl)c2)N1 587691945 FGNHGYLULYVEDZ-WYRIXSBYSA-N 420.713 5.051 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(C(F)(F)F)c2)N1 587711935 JOKOANDZKOPRHJ-BTDLBPIBSA-N 402.229 5.405 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)c(Cl)cc2F)N1 587722502 RZKBUKYCGBOJEC-CQLKUDPESA-N 404.657 5.318 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(C)(C)C)(c2ccc(F)cc2)N1 587732478 NKTGINCMQUFDGM-ASSNKEHSSA-N 408.330 5.941 0 1 HKAF Cc1cccc(-n2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1C 587754796 MTNXSENGYDFOIR-PEBXRYMYSA-N 413.334 5.619 0 1 HKAF Cc1nc(-c2ccccc2)[nH]c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587791985 NSLYRBBOERHVEU-LAJNKCICSA-N 414.322 5.084 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC3CCCC3)cc2)N1 587809689 JCPUHJKHLBYSNW-YEJXKQKISA-N 404.323 5.533 0 1 HKAF CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C/[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587816455 YLHGRKAKEWKVQN-APVJHAGUSA-N 420.410 6.522 0 1 HKAF CC(C)[C@]1(c2cc3ccccc3o2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587830688 UBLGZLTVTBEONR-ZSEKCTLFSA-N 402.307 5.768 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccs3)s2)N1 587848278 NDWWCLMCWOBODA-YPMLDQLKSA-N 408.361 6.002 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccccc1C 587858347 FZAWVRZWANQAQA-AWEZNQCLSA-N 419.308 5.672 0 1 HKAF CSc1ccc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2c1 587948897 LFDVSVDQUGFJFL-WLENULPWSA-N 422.594 6.569 0 1 HKAF Cc1nc(O)c2c(-c3ccccc3)c(-c3ccccc3)n(-c3ccc(Cl)cc3)c2n1 653851665 UBQIILXNDDCKAL-UHFFFAOYSA-N 411.892 6.422 0 1 HKAF Cc1ccccc1[C@@]1(C[C@H](C)CC(=O)O)c2ccsc2CCN1Cc1cccn1C 962376823 QVYZSIDDGLDBMY-CJAUYULYSA-N 422.594 5.198 0 1 HKAF C[C@]1(c2csc(-c3ccccc3F)n2)c2ccsc2CCN1Cc1ccco1 962701695 DNRSOCMDGLVVHM-JOCHJYFZSA-N 410.539 5.926 0 1 HKAF CC[C@@]1(c2ccc3ccccc3c2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962709299 QKPZGHNFAHPZIT-UNMCSNQZSA-N 417.402 5.250 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C=C(SC)SC)(c2ccccc2C)N1 962944455 HYLNBWUFJZTECC-MZNJEOGPSA-N 408.636 6.212 0 1 HKAF COc1ccc(-c2cccc(Cl)c2F)cc1[C@H](CC(=O)O)c1ncc(C)s1 1772588358 IKFVQBKAHPFRCU-HNNXBMFYSA-N 405.878 5.526 0 1 HKAF CC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1cc(-c2ccccc2F)nc2ccc(OC)cc12 1772611009 DFOGUDXCDUKCIC-IMCRMFDQSA-N 420.528 5.203 0 1 HKAF CC=C(C)C(=O)O[C@](C)(CC1CCCCC1)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 2356315746 JDNYBHFWAQXRBT-RCZVLFRGSA-N 410.510 5.335 0 1 HKAF CC1=C[C@@H]2c3cc([C@H]4CC(=O)c5c(O)cc(O)cc5O4)c(O)cc3OC(C)(C)[C@@H]2CC1 2356396555 OFLLWFQGLTWNOR-SOIKWTOOSA-N 422.477 5.121 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1C(=O)CC[C@]2(C)[C@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@H]12 2356468704 NNSREHRCNOEXOH-AZZSLIJVSA-N 412.658 7.353 0 1 HKAF CC(C)=CC[C@]12CCN(C)[C@H]1Nc1c(Br)cc3cc(C(C)(C)O)oc3c12 2356664339 QVSZPENHGLTTAS-TZIWHRDSSA-N 419.363 5.104 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@]4(O)[C@H](C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356722084 XWGRHEMBEMXJCU-FOGSWWRASA-N 416.690 6.750 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@H]3CC[C@]12C)C(C)C 2356751227 WBTPOQYEYUEYSR-YINPMXKBSA-N 400.691 7.491 0 1 HKAF O=C(c1ccc(OC2CCN(C/C=C/c3ccc(F)cc3)CC2)cc1)N1CCCCC1 12072607 WMRUUYUPEGDWAJ-SNAWJCMRSA-N 422.544 5.008 0 3 HKAF CCOP(=O)(OCC)C(C[C@@H]1CCC[C@@H](C)C1=O)P(=O)(OCC)OCC 3805593 BNQJDMMEAMHZEJ-CABCVRRESA-N 412.400 5.240 0 1 HKAF Cc1cc(O)cc2c1O[C@@]1(C)CC[C@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@@]3(C)[C@H]1C2 5883792 LRMHPGVONLYGQD-BJBPZYSMSA-N 412.614 6.024 0 1 HKAF O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)nn1Cc1cccnc1 13534801 DXUVKUBMVJGOOH-UHFFFAOYSA-N 424.287 5.665 0 1 HKAF CC[C@H](C)N([C@@H](C)CC)S(=O)(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C 13747397 XYIOCAJWRXXRJX-IRXDYDNUSA-N 411.612 5.199 0 1 HKAF CN[C@H](c1ccccc1)C1(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 27727106 KQMACMYDELVGSR-QGZVFWFLSA-N 402.382 5.307 0 1 HKAF CC(=O)Oc1ccccc1C(=O)N(C)c1ccc(Sc2ccc(Cl)cc2)cc1 27988837 HPRUGPJVPMXWBV-UHFFFAOYSA-N 411.910 5.693 0 1 HKAF FC(F)(F)Oc1ccc(Cl)c(CN[C@@H]2CC[C@@H]3CC[C@@]2(c2ccccc2)N3)c1 28568517 QJLPTGTXRGEKCS-AHRSYUTCSA-N 410.867 5.138 0 1 HKAF CCCCc1ccc(-c2ccc3c4c([nH]c3c2)-c2ccc(-c3nnn[nH]3)cc2CC4)cc1 40404124 ATNSPSNGPPLIHZ-UHFFFAOYSA-N 419.532 6.123 0 1 HKAF COc1cc(NC(=O)c2ccc(C3CCCCC3)cc2)ccc1O[C@@H]1CCN(C)C1 40575990 SYLMCKIDPXBTJT-JOCHJYFZSA-N 408.542 5.078 0 1 HKAF O=C(NCCCc1ccccc1)[C@@H](c1ccccc1)c1ccc(Br)cc1 40918385 ACZAPKHQBWGJHX-QFIPXVFZSA-N 408.339 5.330 0 1 HKAF in-vivo Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1O[C@H]1CCN(CCC(C)C)C1 45167261 WIWKTKCDJKDXLY-QHCPKHFHSA-N 417.553 5.295 0 1 HKAF CCCOc1ccc(Oc2ccc(-c3ccc([C@H](C)NC(=O)CCC)cc3)cc2)cc1 45253966 SLUJFMNQYLRPPU-FQEVSTJZSA-N 417.549 6.912 0 1 HKAF FCCC[C@@H]1OC2(CCN(Cc3ccccc3C(F)(F)F)CC2)c2ccccc21 45291209 UMEKHCYSDFVHMS-NRFANRHFSA-N 407.451 6.018 0 1 HKAF COc1cnc(CCC(=O)c2nccc3c2[nH]c2ccccc23)c2[nH]c3ccccc3c12 59255072 TYVAUNQMLMRDBO-UHFFFAOYSA-N 420.472 5.570 0 1 HKAF biogenic Cc1ccc(CN[C@H](CC(C)C)c2nc(-c3ccccc3)c(N3CCOCC3)o2)cc1 72102488 UVZQBKFNDUGJRL-HSZRJFAPSA-N 419.569 5.364 0 1 HKAF O=C(N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCNC1)c1ccc2cnccc2c1 72178722 IZVADJXWZKIYOV-GHTZIAJQSA-N 414.336 5.012 0 1 HKAF CCCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2F)n1 82174985 UAAYLSLLQOBYJP-UHFFFAOYSA-N 404.514 6.285 0 1 HKAF Cc1ccc(-c2nccs2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 84689921 PHBQBIRMGCWSED-UHFFFAOYSA-N 401.491 5.345 0 1 HKAF CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC[C@@]21C 137714457 UYJOTTBIRXBXME-OZFNZXCSSA-N 412.658 7.345 0 1 HKAF Cc1csc(-c2ccc(N)c(NC(=O)c3ccc(CNc4ccncc4)cc3)c2)c1 141001938 JPXCTNDASMSYRT-UHFFFAOYSA-N 414.534 5.565 0 1 HKAF CCCc1c(OCc2cccc(Oc3cc(C(=O)O)ccn3)c2)ccc(C(C)=O)c1O 148562456 GQWHBTWXIOOKRT-UHFFFAOYSA-N 421.449 5.012 0 1 HKAF Cc1cc(-c2nc(-c3ccc(OC(F)F)c(C)c3)n3c2CCO[C@H](C)C3)cc(C)n1 221365226 LPLYGBSNNGNFAY-MRXNPFEDSA-N 413.468 5.100 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CCN[C@@]2(C)C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253637716 KOIBTUBCPWGUOH-ZPMGFKQSSA-N 415.706 6.731 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](OC(=O)Cc3cccc(O)c3)CCC[C@@]21C 299864232 QXJHCOODJTZEDO-PRPRSFIFSA-N 400.603 6.525 0 1 HKAF CCc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2)s1 299886720 XRMBKORUOZPDCM-XCBAANBCSA-N 418.610 6.312 0 1 HKAF Fc1ccc(-c2ncc(F)cc2-c2ccc(OCc3ccc4ccccc4n3)cc2)cc1 473155235 QPDLLHGHIISJJC-UHFFFAOYSA-N 424.450 6.821 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(Br)nc3[nH]2)c1 586879972 VSFSTSYAKSZEGT-UHFFFAOYSA-N 406.283 5.235 0 1 HKAF Cc1nc(Br)sc1-c1nc2cc(Cl)cc(Br)c2[nH]1 587011783 RGTPJSICZYDPTH-UHFFFAOYSA-N 407.518 5.173 0 1 HKAF CSc1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 587012558 ZFDHJNTZFOBAAY-UHFFFAOYSA-N 408.573 7.052 0 1 HKAF O=C1CCc2cc3[nH]c(-c4ccc(COc5ccccc5Cl)cc4)nc3cc2N1 587063761 VPDZGTAPRQASQC-UHFFFAOYSA-N 403.869 5.347 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc3c(c2[nH]1)CCCC3 587072909 ZXOMYYYRUQHPJW-UNARMFSLSA-N 411.376 7.115 0 1 HKAF COc1ccc2c(c1)[C@H](CC(=O)O)c1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O 587096811 HNVUWTHLVOYWES-FQEVSTJZSA-N 421.452 5.350 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@H]1Cc1c2nc2cccc3c2c1CC3 587216311 ZWZGWOUPROEEMP-BHKYTRJSSA-N 401.594 5.751 0 1 HKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccnc(Br)c3[nH]2)c1 587238720 MRDCQDYJBTUNSX-UHFFFAOYSA-N 408.303 5.330 0 1 HKAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 587245254 ROOYESPAECKFMX-UHFFFAOYSA-N 401.253 5.009 0 1 HKAF Cc1cc(C)c2c(c1)OCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587360382 VDDPILLEVJRKPO-UKILVPOCSA-N 404.437 5.185 0 1 HKAF CSc1ccccc1C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587371200 BKHASMQBCLOTKT-UPVQGACJSA-N 408.494 5.614 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C(F)(F)F)cc1C(F)(F)F)O2 587381427 IRZIJSHUPHXZSR-KRWDZBQOSA-N 403.322 5.495 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc(C(=O)OCC)cc1)CC2=O 587472059 XGCYOZNQHWPNRO-QHCPKHFHSA-N 419.477 5.019 0 1 HKAF CCCc1sc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1Br 587493058 QEFZDZPOHNBHHR-MRXNPFEDSA-N 409.345 5.828 0 1 HKAF C[C@@]1(c2cccc(CCC(F)(F)F)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587497717 GFEAOCLYQSMFNX-QFIPXVFZSA-N 406.419 6.080 0 1 HKAF O=C1C[C@H](c2ccc(Oc3ccc(Cl)cc3)cc2)Oc2c1ccc1c2CCCC1 587503643 VZWPTDUTKBYEAL-XMMPIXPASA-N 404.893 6.718 0 1 HKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C(F)(F)F)c1 587551235 YVGHGLMDIYYZCO-WIYYLYMNSA-N 400.352 5.422 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cc(Cl)ncc2c1 587554348 XBUSSOBRABUFHE-NFBKMPQASA-N 403.821 5.297 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1cccnc1 587589235 WNCOUCNJPHZIAE-DHLKQENFSA-N 411.413 5.282 0 1 HKAF Cc1cc(C)c2[nH]c3c(c2c1)CC[C@]31Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591850 XEDZHGGVYIYTKW-QFQXNSOFSA-N 411.457 5.294 0 1 HKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc1Br 587613186 MQCFXDYDZCVMSC-QAPCUYQASA-N 417.280 5.228 0 1 HKAF Fc1ccccc1-c1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622286 IDTSOROBMAFUBD-UHFFFAOYSA-N 406.258 6.280 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3)c(-c3ccc4ccccc4n3)c2c1 587643077 AYJAXXOANYWEOJ-SFHVURJKSA-N 406.529 7.572 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(F)c3)c(C(=O)c3ccc(C)cc3O)c2c1 587643547 VMKJFIQAMPFREG-MRXNPFEDSA-N 401.481 6.733 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C(=C/N(C)C)c2cccc(Cl)c2)N1 587700802 MJFCYFKWTVLHMK-FVTAWYKXSA-N 423.757 5.420 0 1 HKAF Cc1cc(C)cc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587709178 JCLJERZDYWJTSN-KPZWWZAWSA-N 416.256 5.545 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(-c3cccs3)c2)N1 587716660 JPIOSGUNJPMYKV-BIBXISHDSA-N 420.322 6.079 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C1CCCC1 587753329 VAYQJBVPLKUFLB-QKVFXAPYSA-N 405.355 5.745 0 1 HKAF Cc1oc(-c2ccccc2)nc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587773453 INSNMFHMGKKCEZ-QKVFXAPYSA-N 415.306 5.349 0 1 HKAF COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12 587811650 XAWVRMNUEZSZET-DMZKTXOQSA-N 414.318 5.548 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C=O)cc3)cc2)N1 587823902 SIEJWGLRRHGLTR-QKFKETGDSA-N 424.313 5.691 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cs2)N1 587845217 CYBJSRDCJZHIOB-UOWDBTKRSA-N 405.130 5.036 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C)nc2ccc(C)cc12 587859175 CEKMTOCFXBWNQD-UHFFFAOYSA-N 412.320 6.410 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=N)c1ccc(Cl)c(Cl)c1 587861132 KCLKVACGPZELIW-UHFFFAOYSA-N 414.214 5.758 0 1 HKAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 587938304 UQOLRVWVLFRBNG-ABKXIKBNSA-N 418.337 5.446 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@H]1c1ccc(N2CCCC2)o1 961745836 BQGUYTQCJRXFOT-QHCPKHFHSA-N 423.557 5.121 0 1 HKAF Cc1ccsc1C1(c2sccc2C)NCCc2cc(-c3ccccc3)ccc21 962667723 VDMQSFRVSMUWBO-UHFFFAOYSA-N 401.600 6.531 0 1 HKAF CN1C(=O)C[C@@H]2CN[C@@](CCc3ccc(Cl)cc3)(C3CCCC3)c3cccc1c32 963038690 XVIFWKFDJCPKER-CJAUYULYSA-N 408.973 5.412 0 1 HKAF CC1(C)CC(=O)C(C[C@@]2(c3ccccc3)c3ccc(F)cc3C[C@@H]3CCCN32)C(=O)C1 963106335 RKUDLJXQKPPFHQ-KDYSTLNUSA-N 419.540 5.054 0 1 HKAF CN1CCc2c(Br)cccc2[C@]1(c1ccccc1Cl)C1CCCC1 963269044 DQLURTGZTOVJIY-NRFANRHFSA-N 404.779 6.024 0 1 HKAF CC[C@]1(c2ccc(Br)cc2C(F)(F)F)NCCc2cccc(Cl)c21 963390372 INGWAWGZFGXSJZ-QGZVFWFLSA-N 418.684 5.921 0 1 HKAF COC(=O)c1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3cnc4ccccc43)=CC[C@@H]12 1857584577 LHHQNUHRLBOEAM-YHZQYDDPSA-N 412.533 5.830 0 1 HKAF Cc1cc(O)c(C)c2c1CC[C@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2 2356387638 BXFFLLUMZSVWOY-TYPXCFOJSA-N 416.690 8.532 0 1 HKAF CC=C(C)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CCC(C)=CCO)[C@@](C)(O)CC[C@@H]21 2356432666 INBPZKYNDOCEIN-GPXHLONLSA-N 406.607 5.188 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@@H]1Cc1occ(C)c1[C@@H]2OC(=O)C(C)=CC 2356438619 MZACYIUHAUITMT-MEBDUQJUSA-N 414.542 5.625 0 1 HKAF CC(=O)O[C@H]1C=C(C)[C@@H](OC(=O)c2ccc(O)cc2)CC=C(C)CCCC1(C)C 2356574402 YUURXLYREVDXOP-VXKWHMMOSA-N 400.515 5.342 0 1 HKAF COc1ccccc1CNc1nc(NCc2ccc3occc3c2)c2sccc2n1 61903373 PIYCCLUTNOWCCV-UHFFFAOYSA-N 416.506 5.670 0 3 HKAF N[C@H](c1csc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)n1)C1CCCCC1 61926333 UGWRFCOEHOLEDT-HNNXBMFYSA-N 414.453 5.266 0 3 HKAF COc1ccc(-c2noc(C)c2C(=O)N[C@H](C)C(C)C)cc1OCc1ccccc1 776453 CKNASUNQVDRJNW-MRXNPFEDSA-N 408.498 5.012 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[C@H](P(=O)(O)O)[P@](C)(=O)O 13742044 IQXGZGUZEQQEHJ-WIYGNYPTSA-N 406.440 5.980 0 1 HKAF C[C@]1(C2CCCCC2)N[C@@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 13863924 VOSXUKXXGOUBDV-YIXXDRMTSA-N 410.565 6.241 0 1 HKAF CCCC/C=C/CCCCCCCCCCCCCCCc1cc(O)cc(O)c1 15269068 CJTCBXDFRDMBJW-AATRIKPKSA-N 402.663 8.848 0 1 HKAF endogenous,in-man CCOP(=O)(OCC)C(CCC(=O)c1ccco1)P(=O)(OCC)OCC 26028645 QZONBGPUTWYTQJ-UHFFFAOYSA-N 410.340 5.101 0 1 HKAF O=c1c(-c2ccccc2)c(-c2ccc(OCCN3CCCC3)cc2)oc2ccccc12 26943970 NPZPJUGCLOBFPU-UHFFFAOYSA-N 411.501 5.602 0 1 HKAF CCCN(CC1CC1)C(=O)c1c(CC)nc2n1CCN2c1c(C)cc(C)cc1Cl 28347719 ISWGQSMCQLCDFB-UHFFFAOYSA-N 414.981 5.130 0 1 HKAF Cc1ccc(C[C@@H]2CO[C@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 28768343 BGORGGDNYKIBTJ-NQIIRXRSSA-N 403.309 5.009 0 1 HKAF CSc1ccc(OCc2ccccc2)c(C2=C(c3cccc(C(=O)O)c3)CCC2)c1 28819256 OPOVWULBUMXVEY-UHFFFAOYSA-N 416.542 6.780 0 1 HKAF C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)C/C=C/C(C)(C)O)C[C@@H](O)C[C@@H]1O 33820650 JZKQDLBQLMQRBF-ZKPSXAQZSA-N 414.630 5.481 0 1 HKAF CC(=O)[C@H]1CC[C@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C 33830593 DCBAVUVLEYSTPU-UBUALSOTSA-N 412.702 8.067 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O 34059763 QEXZVESBFWVISP-GBXRJUDBSA-N 408.494 5.745 0 1 HKAF biogenic,in-vitro CCC(CC)Nc1c2c(nc3c(-c4ccc(OC)cc4C)c(C4CCC4)nn13)CCC2 34232152 JCYYMKXKOHMNFK-UHFFFAOYSA-N 418.585 6.070 0 1 HKAF CC(C)N1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1(C)C 36093075 FDUMSXVQMHLSOY-FYYLOGMGSA-N 400.969 5.860 0 1 HKAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(O[C@@H](C)CCCC(C)C)c2)[nH]1 40379443 STAFTLRPNZZRCJ-INIZCTEOSA-N 413.562 6.593 0 1 HKAF O=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCN(C2CCCCC2)CC1 40423067 OALCCLBOHKJKFS-UHFFFAOYSA-N 407.341 5.344 0 1 HKAF COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1csc2ccccc12 49034661 UXYNEKLEPXVKQZ-WXTAPIANSA-N 419.590 6.618 0 1 HKAF Fc1ccc(Nc2ncnc3[nH]c(CCc4ccccc4)cc23)cc1Br 49088278 DHFLRMWXAMWJHG-UHFFFAOYSA-N 411.278 5.388 0 1 HKAF COc1ccccc1[C@@H]1S[C@@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccccc1 49808535 JYQFJBJVYZDINM-FUDKSRODSA-N 406.482 5.540 0 1 HKAF CC(C)(O)/C=C/C[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c([nH]c4ccccc34)[C@@]12C 64549185 UCZDOMMSHDUFIK-TWQPBVKTSA-N 421.625 5.892 0 1 HKAF CCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2)c1C 66259726 FVRAHOUSXRPGHJ-UHFFFAOYSA-N 405.329 5.198 0 1 HKAF COc1ccc(Oc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1 72125177 BGDNFVNBVKOWAX-UHFFFAOYSA-N 403.482 5.221 0 1 HKAF CCN(CCNCc1coc(-c2ccc(OC(F)(F)F)cc2)n1)c1cccc(C)c1 72142338 LWQYOZLLQDFNCJ-UHFFFAOYSA-N 419.447 5.165 0 1 HKAF CC(C)(C)c1ccc(-c2noc(C3CCN(C(=O)CCC(F)(F)F)CC3)n2)cc1 73197795 QRSDPAMAWVVOCD-UHFFFAOYSA-N 409.452 5.083 0 1 HKAF CC(C)CN(CC(C)C)C(=O)c1cnc(NCc2ccccc2)nc1-c1ccccc1 82134213 PRIPCGYWBWIHGR-UHFFFAOYSA-N 416.569 5.510 0 1 HKAF C[C@@H]1CCCC[C@H]1Nc1ncc(-c2nc3ccccc3s2)c(-c2ccc(F)cc2)n1 82164191 DCLKPKYPAPAESH-DNVCBOLYSA-N 418.541 6.550 0 1 HKAF CCc1cnc(-c2cnc(NCCOc3ccccc3)nc2-c2ccccc2F)s1 82175535 AUBNDGDTLJNSPE-UHFFFAOYSA-N 420.513 5.460 0 1 HKAF CC[C@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCc3ccccc3C)ncnc21 82180149 WVHSDXRVNWCJGH-INIZCTEOSA-N 401.514 5.166 0 1 HKAF Oc1cccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CCC2)CC4)c1 84654954 SICNKSFIKGNNPV-KJYTXNCISA-N 416.609 5.863 0 1 HKAF Oc1ccc2cc1Oc1ccc(cc1)CCc1ccc(O)c(c1)Oc1ccc(cc1)CC2 103248703 OOBQFMLJGMIEAK-UHFFFAOYSA-N 424.496 6.566 0 1 HKAF CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]c(=O)oc2c1)c1ccccc1 114595583 DTUVICRLZKMILH-YNWFTHOWSA-N 411.457 5.588 0 1 HKAF CCC(=O)C(CCCCCCc1ccc(OC(=O)c2ccccc2C)cc1)C(=O)CC 146175623 CQDAZUCNUKLJBQ-UHFFFAOYSA-N 422.565 6.282 0 1 HKAF COc1c(Cl)c(C)c(Cl)c2c1[C@@H]1c3c(C=O)c(O)cc(O)c3C[C@@H]1C(C)(C)O2 169382764 ANCGXXHYXGKUAF-NHYWBVRUSA-N 423.292 5.009 0 1 HKAF CC(C)CC[C@H](C)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 169621267 DISDDEOWDPJFQP-LWINXXIXSA-N 414.718 8.025 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)c(C/C=C(/C)CCC=C(C)C)c3O2)cc1 208984928 QCPWUZAGZXPQEF-KJAUIJNUSA-N 422.521 6.048 0 1 HKAF O=C(c1ccccc1-c1cccs1)N1[C@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2 226051149 JIEFEDOEWSOKJT-KNBMTAEXSA-N 408.498 5.021 0 1 HKAF COc1cc2c(c(OC)c1-c1ccc3cc(C)cc(OC)c3c1O)C(C)=N[C@@H](C)C2 238742476 HOWXDARSRVLPPM-AWEZNQCLSA-N 405.494 5.300 0 1 HKAF CC1=CC[C@H]2[C@](C)(C(=O)O)C[C@H](OC(=O)CC(C)C)C[C@]2(C)[C@H]1CCc1ccoc1 238771909 WBYDQQMHZCPXSI-CQSZGSHISA-N 416.558 5.644 0 1 HKAF CC[C@H](/C=C\[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 257505607 OQMZNAMGEHIHNN-RAQREVORSA-N 410.686 7.721 0 1 HKAF endogenous,in-man COC(=O)[C@@H]1[C@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2cccc(Cl)c2)cc1)C3 261096939 FNNDPKKFONPQIL-MCXMXBSDSA-N 421.968 5.684 0 1 HKAF C[C@H](CN1CCCC[C@H]1CC1CCCCC1)c1cccc([C@@H](C)c2ccccc2)c1 299808148 OREMYNOLMRLGSV-UQARTHHBSA-N 403.654 7.767 0 1 HKAF CCc1oc2ccccc2c1-c1nc2c(Br)ccc(Br)c2[nH]1 586904040 PXYJIONFENCZCL-UHFFFAOYSA-N 420.104 6.064 0 1 HKAF O=[S@](Cc1nc2c(Cl)c(Cl)cnc2[nH]1)C(c1ccccc1)c1ccccc1 586961325 UVVDKABZERIAMY-HHHXNRCGSA-N 416.333 5.303 0 1 HKAF CCCC(Br)(CCC)c1nc2cccc(I)c2[nH]1 586970847 KGMJYROBKNYCQY-UHFFFAOYSA-N 421.120 5.358 0 1 HKAF Fc1c(F)c(F)c2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2c1F 586976125 UHLKINRSYXLMOV-UHFFFAOYSA-N 413.983 5.856 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2c(C)ccc(C)c2[nH]1 586981683 LLCHTPNNKQIGFF-UHFFFAOYSA-N 401.348 6.568 0 1 HKAF CC(C)(C)c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 586999292 YLKWQAZGZQDPKX-RAXLEYEMSA-N 421.338 7.053 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(-c3cccc(OCc4csc(C)n4)c3)nc2c1 587020691 XAZIUPLFJUOTGS-UHFFFAOYSA-N 413.886 5.014 0 1 HKAF Cc1cc2nc(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)[nH]c2c(C)n1 587061031 HOWUYCDUYZMTGI-UHFFFAOYSA-N 416.916 5.305 0 1 HKAF Cc1cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2cc1F 587119992 MRGJCMJBQZUTDJ-UHFFFAOYSA-N 411.362 5.406 0 1 HKAF CC(C)[C@@]1(c2ccc3c(c2)CCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355871 GRIXMHHKEBWIFM-RSXGOPAZSA-N 418.464 5.377 0 1 HKAF Cc1cc(C)c2c(c1)[C@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359905 STQGZOKZLLBAPA-OZXSUGGESA-N 418.464 5.575 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1cc(Cl)c(Cl)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587421709 REAZAUUPXMOAQW-SGTLLEGYSA-N 417.210 5.684 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc3cc(Br)ccc3o1)CC2=O 587458761 LEIGNUKDQKGABZ-IBGZPJMESA-N 401.256 5.560 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(Br)cc1F)CC2=O 587466390 LIANGGHIJLLHJQ-FQEVSTJZSA-N 407.279 5.517 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cn(C)nc1-c1cc3ccccc3o1)CC2=O 587479548 ZSRFXGUUSFTGIE-NRFANRHFSA-N 402.450 5.198 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cccc3cnccc13)CC2=O 587492892 YHPAMHQCBBWQAA-HHHXNRCGSA-N 409.485 5.802 0 1 HKAF C[C@@]1(Cc2cc(F)ccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587508522 ZARBLAGWIPLPMZ-OAQYLSRUSA-N 403.291 5.434 0 1 HKAF O=C(O)c1ccc(COc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)o1 587529345 ABHUSDYHYIRRQU-QHCPKHFHSA-N 418.445 5.142 0 1 HKAF C[C@@]1(c2cccc(-c3ccccc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604813 YVRFNPOITDVQBG-IGKIAQTJSA-N 408.453 5.936 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1nccs1 587616755 GOEGYMXPXCYSOS-SIKLNZKXSA-N 401.443 5.219 0 1 HKAF CCOC(=O)C(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]c2cc(Cl)c(F)cc12 587628203 JQRCMXPXZSMTDT-UHFFFAOYSA-N 414.647 5.680 0 1 HKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc2c(Cl)cccc2s1 587660813 GRNMVKNEKXSFTI-UHFFFAOYSA-N 407.857 5.455 0 1 HKAF Cc1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587678284 KFLQVMAJPITSFD-QGHHPUGFSA-N 413.128 5.283 0 1 HKAF CC(C)CC[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587697512 GUMDOKXWRGRDFK-LHSJRXKWSA-N 424.785 6.456 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)cc(Cl)c2)N1 587698821 JUNXLGQTZXLMHB-VVVCHXIZSA-N 403.122 5.693 0 1 HKAF Cc1cc(C)cc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587709181 JCLJERZDYWJTSN-XIKOKIGWSA-N 416.256 5.545 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2SC(F)(F)F)N1 587714496 ABNPYZNYQJHLCX-ABKXIKBNSA-N 420.269 5.824 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(C(F)(F)F)cccc32)N1 587715090 RHOCPJRQEVDEJS-YPMLDQLKSA-N 414.240 5.331 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)cc(Cl)cc2F)N1 587721081 OPNHXEWVRURPNV-RBHXEPJQSA-N 404.657 5.318 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(C2CCCC2)N1 587731557 HALGUVQUSGELLI-LRTDBIEQSA-N 406.314 5.695 0 1 HKAF CC(C)Cn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587754174 DAPLGIXTSMFHRP-RCDICMHDSA-N 415.350 5.823 0 1 HKAF CC(C)c1nn(C(C)(C)C)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587763260 IPDFALJCGYQWOD-BLVKFPJESA-N 408.359 5.287 0 1 HKAF CCC[C@H](CC1(c2nc3ccc(C)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782697 WUQMONNZFNIVHN-OAQYLSRUSA-N 404.554 6.233 0 1 HKAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587783095 WPARFORZJSKQRD-UHFFFAOYSA-N 418.802 6.187 0 1 HKAF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(C)C 587796304 TTZSEWVZBMQXSU-YUNKPMOVSA-N 408.311 5.008 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccccc3)cc2)N1 587806377 ADLBRDRAZZJOJV-RCDICMHDSA-N 412.302 6.004 0 1 HKAF Cc1cccc2c3c([nH]c12)[C@]1(CCC3)N[C@H](C)Cc2cc(Br)c(F)cc21 587807698 XUCBQJYZUHAAIE-MCMMXHMISA-N 413.334 5.492 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(ccc4ccccc43)o2)N1 587835696 XRYTYASDWUPGRH-ZLOXQWCVSA-N 424.313 6.285 0 1 HKAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 587932992 ILYMLOMRHRBKIG-LJQANCHMSA-N 400.375 5.910 0 1 HKAF Cc1cc(OCCn2c(O)cc(-c3ccc(N)cc3)c2O)c(C(C)C)cc1Cl 587943209 QGTUNQJHHYEIHI-UHFFFAOYSA-N 400.906 5.313 0 1 HKAF CC1=C(c2ccc3nc(/C=C/c4ccccc4Oc4ccccc4)[nH]c3c2)NNC(=O)C1 587951316 YIMFCABJOVEQSR-WYMLVPIESA-N 422.488 5.281 0 1 HKAF O=C(c1ccccc1)c1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587955239 IWRQAIYLXUBIQQ-XMMPIXPASA-N 402.497 6.169 0 1 HKAF COc1ccc(C(C)(C)[C@H](O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC 653767410 LJOFWEKCNGUBDT-JOCHJYFZSA-N 416.489 5.047 0 1 HKAF COc1cc2c(cc1OC)[C@](c1cccc(Cl)c1)(c1cc(C)ccn1)N(C)[C@@H](C)C2 962570859 OAGKJBMTWAGPFF-SSOJOUAXSA-N 422.956 5.229 0 1 HKAF c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@]3(CC3CCCC3)c3ccccc3)C2)cc1 962640509 QWZSGUYFDLFZLW-JDXGNMNLSA-N 422.616 6.257 0 1 HKAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@@]21CC=C(c2ccc(Cl)cc2)CC1 962716772 VZKZOTSHLKUBCU-GBXCKJPGSA-N 413.989 6.306 0 1 HKAF O=C(O)[C@@H]1CCC[C@H]1C[C@@]1(c2ccccc2F)c2ccc(F)cc2C[C@@H]2CCCN21 963110253 QTXCGEJTTWIPPL-BEWIQRDWSA-N 411.492 5.120 0 1 HKAF Oc1cccc(CCc2ccc(Oc3cc4c(cc3O)-c3ccc(O)cc3CC4)cc2)c1 1857575270 XQBIHKVQPWNBSP-UHFFFAOYSA-N 424.496 6.147 0 1 HKAF O=C1Nc2ccc(-c3cccc(F)c3)cc2/C1=C/c1cc(Cl)c(O)c(Cl)c1 1857609525 FKUZTVAQDGXBOK-SOFYXZRVSA-N 400.236 5.998 0 1 HKAF O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2nc(-c3ccccc3O)ccc12 1857635659 HLTMPFPDDRPPGC-UHFFFAOYSA-N 412.533 6.152 0 1 HKAF O=C(Nc1oc2cnccc2c1Nc1ccc(F)c(Cl)c1)OCc1ccccc1 1857770065 UEVKNKACTCQGHF-UHFFFAOYSA-N 411.820 6.113 0 1 HKAF CCC[C@H](CC)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356588645 CPLVWRYIIKOCEQ-VPUBHVLGSA-N 414.718 8.169 0 1 HKAF CC1(C)CC[C@]2(C)C[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 2356596124 FQJLCTDZJGECJX-WPNSXGTESA-N 412.702 7.779 0 1 HKAF O=C(Nc1ccccc1)C1=C[C@H](C2CCCCC2)C[C@H](OCc2ccc(CO)cc2)O1 13634863 MPSIHTHUEGTEIM-WIOPSUGQSA-N 421.537 5.161 0 3 HKAF O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 61905680 WPNBMLPXHADMHP-SFHVURJKSA-N 403.240 5.137 0 3 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C=C(C(=O)O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)c1ccc(O)cc1 3803450 RPNNXCYIESWDSC-JRZBRKEGSA-N 420.549 5.775 0 1 HKAF in-vivo CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F 4055538 SRCFPCRJEMXGOS-HKUYNNGSSA-N 409.288 5.141 0 1 HKAF Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3-c3ccccc32)cc1 13534500 ROEZAMGLCIOQIZ-UHFFFAOYSA-N 407.473 5.198 0 1 HKAF COc1ccc([C@H]2C(Cl)(Cl)[C@@]2(c2ccc(O)cc2)c2ccc(OC)cc2)cc1 13649380 BDHBUIDQXHCOFL-YADHBBJMSA-N 415.316 5.667 0 1 HKAF O=C(O)CC/C=C\C[C@H]1CO[C@H](c2cccc3ccccc23)O[C@@H]1c1cccnc1 27723324 FGBMMJPOIOWZGC-MEOVPFSKSA-N 403.478 5.449 0 1 HKAF N=c1c2c3c(sc2nc2n1CC/C2=C\c1ccccc1Br)CCCC3 28335161 JIUPEJGHQOHWJG-CAYKNLLPSA-N 412.356 5.163 0 1 HKAF Clc1ccc([C@]2(Cn3ccnc3)OC[C@H](c3ccc(Cl)cc3Cl)O2)cc1 28769622 YAJAVHCPGKNFEZ-RTBURBONSA-N 409.700 5.484 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C 40952763 NAJCQAAOHKVCES-LGPDGTNSSA-N 424.713 8.377 0 1 HKAF Cc1cccc2nc(-c3cccc(-c4ccc(NC(=O)Cc5ccon5)cc4)c3)[nH]c12 45167832 GMMHXGYDLDFPFT-UHFFFAOYSA-N 408.461 5.375 0 1 HKAF FC(F)(F)c1ccc2c(c1)N(C[C@@H]1CCCN3CCCC[C@H]13)c1ccccc1S2 71296020 MRPBCSPHOZQBHD-FUHWJXTLSA-N 418.528 6.573 0 1 HKAF CN(C)CCOc1ccc(C(=O)C[C@@H](Sc2ccccc2)c2ccccc2)cc1 72113559 NCMGYLSLFXSJND-RUZDIDTESA-N 405.563 5.733 0 1 HKAF C[C@@H](CN1CCO[C@H](C)C1)n1cc(C(=O)c2cccc3ccccc23)c2ccccc21 72123004 QHEXMQRSPDIKKB-VQTJNVASSA-N 412.533 5.307 0 1 HKAF COc1cc2nc(N(C)Cc3ccccc3)nc(NCC3CCCCC3)c2cc1OC 82124999 UVZRXECKBZMGIT-UHFFFAOYSA-N 420.557 5.276 0 1 HKAF COc1ccccc1CCNc1ncc(-c2ncc(C)o2)c(-c2cccc(C)c2)n1 82173915 AHLLTPHSWOXNSB-UHFFFAOYSA-N 400.482 5.079 0 1 HKAF COc1ccc(CN2[C@H]3CCC[C@H]2CC(OC(=O)Nc2cc(C)ccc2OC)C3)cc1 101190904 HAXQRKHECWFMGM-PMACEKPBSA-N 424.541 5.146 0 1 HKAF O=c1c(Cc2ccccc2)c(O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 169718828 FFRRGDUOYPXRKP-UHFFFAOYSA-N 411.288 5.231 0 1 HKAF c1ccc(-c2ccccc2CNCCCCCCn2cc(-c3cccnc3)nn2)cc1 221467301 VIXHSWXXJIJXRP-UHFFFAOYSA-N 411.553 5.357 0 1 HKAF C/C=C(\C)c1c(Oc2cc(O)c(Cl)c(C)c2C(=O)OC)cc(C)c(O)c1Cl 238781874 FRONXIYLAGGHEB-RMKNXTFCSA-N 411.281 6.024 0 1 HKAF CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C 255204122 CTEZGKJAIWCKTQ-ZQORHGTKSA-N 416.646 5.250 0 1 HKAF C/C=C(\CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 255256196 OSELKOCHBMDKEJ-KMVVMWBKSA-N 412.702 7.945 0 1 HKAF O=S(=O)(c1ccc2ccccc2c1)N1CCCc2cc(-c3cccnc3)ccc21 299824343 KYZLYTWBHCRWNL-UHFFFAOYSA-N 400.503 5.043 0 1 HKAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 586892289 WJUSYTJEMXLZNR-ORAYPTAESA-N 403.320 5.258 0 1 HKAF C[C@H](Oc1ccc2c(c1)OCO2)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992040 RXKHTUJTKSOFRG-ZDUSSCGKSA-N 411.413 5.021 0 1 HKAF Cc1ccc2c3c(c4c(nc13)C[C@H]4c1ccc(C(F)(F)F)cc1)-c1ccccc1C2=O 586993167 MAKCGHRRRWUBNQ-IBGZPJMESA-N 415.414 6.461 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(C(F)(F)F)ccc4F)nc13)-c1ccccc1C2=O 586993457 NSYLSINJQSNISH-UHFFFAOYSA-N 407.366 6.580 0 1 HKAF COC(=O)Cc1c(-c2ccc(F)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586995957 OBHZINSDWDTBMF-UHFFFAOYSA-N 411.432 5.276 0 1 HKAF CC(C)(C)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c1 587000430 KAFQOEIITBIVMD-INIZCTEOSA-N 411.347 5.347 0 1 HKAF CCCn1cnc2cc(-c3nc4cc(OC)c(Cl)cc4[nH]3)cc(Br)c21 587003472 JZYOYHGSCMOLMS-UHFFFAOYSA-N 419.710 5.414 0 1 HKAF Fc1cc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2cc1C(F)(F)F 587017363 KLKHMRXTQBNVNG-UHFFFAOYSA-N 405.376 5.446 0 1 HKAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc(Br)cc(Cl)c2[nH]1 587027589 WAKGLYBBCUHHGE-UHFFFAOYSA-N 408.708 5.595 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c(CSCc3ccsc3)nc2c1 587028168 WHBZYVLINHIRQA-UHFFFAOYSA-N 407.280 5.839 0 1 HKAF Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 587052157 XBHCVYQFYPSIRM-RQJHMYQMSA-N 417.521 5.952 0 1 HKAF Cc1c(F)ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 587064041 KGSOTINHPMVCBH-UHFFFAOYSA-N 419.887 6.365 0 1 HKAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(Oc4ccc(C(=O)OC)cc4)ccc3[nH]2)n1 587080164 SAVGMFFKKMZHLP-ZDUSSCGKSA-N 424.888 5.630 0 1 HKAF Cc1c(Br)cnc2[nH]c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc12 587094578 CDNQDFSELMHZMX-UHFFFAOYSA-N 424.142 5.733 0 1 HKAF CCOC(=O)c1ccc2nc(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)[nH]c2c1 587144746 CXNSEZZNICSSHR-UHFFFAOYSA-N 408.860 6.175 0 1 HKAF COc1cc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)nn1-c1ccccc1F 587157199 XVENRECCNBIISV-UHFFFAOYSA-N 414.440 5.142 0 1 HKAF Cc1cc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2cc1Br 587244546 PBHRROBWVYSQKW-UHFFFAOYSA-N 406.283 5.553 0 1 HKAF C[C@@]1(c2cnn(C3CCCC3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344277 WYTUATDMNIUJAC-UPVQGACJSA-N 406.457 5.117 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CC3(CCC3)Oc3ccccc32)[C@H]1c1ccc(F)cc1 587356425 JSWTTWUXSKAXMU-OZXSUGGESA-N 416.448 5.491 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](c2ncccc2C)CC3)c1 587363008 KXIFBHORLDXPFT-IBGZPJMESA-N 420.512 6.633 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(c3ccccc3)Oc3c1ccc1ccccc31)O2 587409075 PIYKREOYKXDMEZ-NDEPHWFRSA-N 419.480 6.025 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCC)(c1ccc(Br)cc1F)CC2=O 587465536 FOQGAVAEFGXLNO-NRFANRHFSA-N 421.306 5.907 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cnc(SCc3ccccc3)nc1)CC2=O 587489051 AOWRGVOJZNXTOZ-NRFANRHFSA-N 406.507 5.134 0 1 HKAF O=C1C[C@H](c2ccc(COc3ccc(Cl)cc3)o2)Oc2c1ccc1c2CCCC1 587498695 FZTNEPPXJUWRQL-HSZRJFAPSA-N 408.881 6.097 0 1 HKAF O=C1C[C@H](c2c(Br)ccc(Cl)c2F)Oc2c1ccc1c2CCCC1 587502509 FCFTTYDIDNNACM-MRXNPFEDSA-N 409.682 5.827 0 1 HKAF O=C1C[C@@]2(CCOc3c(F)cc(Br)cc32)Oc2c1ccc1c2CCCC1 587506495 KIBZWQMRHMEOLO-OAQYLSRUSA-N 417.274 5.110 0 1 HKAF COC(=O)c1sccc1-c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587531053 IVRNTWOIUMMDMR-HXUWFJFHSA-N 408.475 5.380 0 1 HKAF Cc1ccc(C)c(-n2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 587574168 AVJDRKCLCQMXEQ-OZXSUGGESA-N 411.457 5.503 0 1 HKAF C[C@]1(c2cnc(-c3ccccc3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609966 FEUARDXLEVXHLW-GBXCKJPGSA-N 415.470 5.393 0 1 HKAF CCCC[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587696826 FYWGARAXBMBLBB-RNODOKPDSA-N 410.758 6.210 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(F)cc(F)c2)(C(F)(F)F)N1 587709173 IZYAXZVIPCZTSI-ZKANADHPSA-N 424.182 5.207 0 1 HKAF CCC[C@H](CC1(c2nc3cncc(OC)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782595 UXZRFXUJVKJSSS-LJQANCHMSA-N 421.541 5.328 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C2CCCCC2)N1 587817630 CZCZCEXPPLHIJG-IVZQSRNASA-N 402.351 5.946 0 1 HKAF CCOc1cccc2cc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)oc12 587832200 ZKCNWTUKJODWJN-XUSGNXJCSA-N 418.306 5.531 0 1 HKAF COc1ccc(C2(c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)CC3(CCC3)C2)cc1 587936745 YVSRCEBBAUPWEF-UHFFFAOYSA-N 422.838 5.236 0 1 HKAF C[S@](=O)c1ccc([C@@H](CC2CCCC2)c2[nH]c3ncccc3c2CO)cc1Cl 653784941 ZTVXSWAKKVLTMA-UULLZXFKSA-N 416.974 5.158 0 1 HKAF Fc1cc(Cl)ccc1-c1ccc([C@H]2NCCc3cc(-c4ccccc4)ccc32)o1 962659844 AOQGMRGFCTZWKW-VWLOTQADSA-N 403.884 6.641 0 1 HKAF c1ccc(-c2cccc3c2[C@](CCCC2CCCCC2)(c2ccccn2)NCC3)cc1 962665835 QSABIGMRFJYYCK-LJAQVGFWSA-N 410.605 6.889 0 1 HKAF C[C@@]1(c2nc3ccccc3s2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962950275 CUUWUMQKHDKPOR-HXUWFJFHSA-N 418.484 5.230 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)c1cc(Br)ccc1NC21CC1 962955119 RTKGKSHXILLRFA-RCDICMHDSA-N 408.343 5.056 0 1 HKAF Cc1ccnc2c1CCN[C@@]2(c1c(Cl)cccc1Cl)c1cncc2ccccc12 963068163 KADDBJMBQBEJGU-XMMPIXPASA-N 420.343 5.683 0 1 HKAF Cc1ccc(C)c(CC[C@@]2(c3cccc(F)c3)c3ccc(F)cc3C[C@@H]3CCCN32)c1 963096302 MYAFMLUGAKXZEL-XTEPFMGCSA-N 417.543 6.479 0 1 HKAF C[C@]1(Cn2c(C(F)(F)F)nc3ccccc32)c2c(F)cccc2C[C@@H]2CCCN21 963112347 SGHSYFWPIWIVOP-BTYIYWSLSA-N 403.423 5.130 0 1 HKAF O=C1[C@@H](Oc2ccccc2)[C@@H](c2ccc(Cl)cc2)N1c1nc2ccccc2s1 1772638917 JDCLCTKJYKZFMJ-UXHICEINSA-N 406.894 5.485 0 1 HKAF Cn1cc([C@H]2CC(c3ccccc3)=NN2C(=O)c2cccnc2Cl)c2ccccc21 1857649447 YKGQTBQMTWXEFZ-JOCHJYFZSA-N 414.896 5.218 0 1 HKAF CCCOc1ccc(-c2cc(OCCN3CCCCC3)c3ccc(OC)cc3n2)cc1 1857749167 ZPGXCFLEPOTDQN-UHFFFAOYSA-N 420.553 5.564 0 1 HKAF Cc1nc(C=C[C@H](O)CC=CCCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)C)cs1 2356337226 SQZGLNJGLTXCMY-NLEAXPPASA-N 407.620 5.191 0 1 HKAF C[C@@H](C=CC[C@@H](C)[C@H](C)O)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356395721 UXZPNUUPUOEZMX-NDCGRWFESA-N 412.658 6.734 0 1 HKAF CC(=O)O[C@@H]1O[C@H](OC(C)=O)CC1=CC[C@]1(C)[C@H](C)CC[C@]2(C)C(C)=CCC[C@@H]21 2356404008 ZREAIEZMYZQUFC-KKQZLHOWSA-N 404.547 5.300 0 1 HKAF C[C@@H](CCC(=O)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356421744 SFUNNIZAWKFFIO-QYVWRPDFSA-N 416.646 6.287 0 1 HKAF COc1cc(-c2ccc[nH]2)[nH]c1C=C1N=C2C=C1[C@@H](CC(C)C)CCCCCCCC2 2356716782 YDZPWDMNENUFNA-HXUWFJFHSA-N 419.613 7.537 0 1 HKAF C[C@]1(C2CCCCC2)O[C@@]2([C@@H]3CCC[C@H](Cc4ccc(O)cc4)C3)CC[C@H]1[C@H](N)C2 2356778379 TZZKJBXWDRLWGL-ICGAKHDMSA-N 411.630 5.977 0 1 HKAF Cc1cc2nc(-c3ccc(Cl)cc3)c(CC(C)(C)C)n2c(C)c1Br 95568894 XNWNPOKPEVUTKH-UHFFFAOYSA-N 405.767 6.623 0 3 HKAF CC1CCC2(CCC(=O)N2CCCOC(=O)Nc2cccc(C(F)(F)F)c2)CC1 96019305 ROUZRFZCBIZQLM-UHFFFAOYSA-N 412.452 5.215 0 3 HKAF Clc1ccc(-c2nnc(-c3nn(-c4ccccc4)c4nc5ccccc5nc34)o2)cc1 1622953 NLTYUVDFWYHPTO-UHFFFAOYSA-N 424.851 5.339 0 1 HKAF CC(C)NCc1ccc(Nc2cc(-c3ccc(-c4ccc(O)cc4O)cc3)[nH]n2)cc1 6718828 MYHOUKHXSVKHBA-UHFFFAOYSA-N 414.509 5.397 0 1 HKAF CCN(CC)CCOc1ccc(/C(=C\Cc2ccccc2)c2ccc(O)cc2)cc1 13605665 PTTNYJOCEDSWPD-DIBXZPPDSA-N 401.550 5.787 0 1 HKAF COc1ccc(-c2coc3cc(OC/C=C(\C)CC/C=C(/C)CO)ccc3c2=O)cc1 14488287 CNRIAECCBMEHQF-UDTDIJQYSA-N 420.505 5.513 0 1 HKAF COc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H](CC(C)(C)C)C[C@H]3C2=O)c1 17223983 QRWXHCBPNZPYER-YOMUGFJLSA-N 416.521 5.373 0 1 HKAF CCCCCCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CCN(C)CC1 28003521 YATFDXOUUIDXSL-UHFFFAOYSA-N 400.567 5.393 0 1 HKAF C/C(C[C@@H](C)[C@H](C)C(C)C)=C1/CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 33753810 WSMAULFAXOAWSD-PZWGOJMFSA-N 412.702 7.945 0 1 HKAF COc1ccc(-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1CN1CCCC1 45334499 BTUWJNVJJTYCKN-UHFFFAOYSA-N 420.940 5.864 0 1 HKAF CO[P@](=O)(O)/C=C/c1ccc(C(=C2C3CCCC2CCC3)c2ccc(O)cc2)cc1 49114639 YFJGUOFANXBLHD-UMCWJRCESA-N 424.477 6.597 0 1 HKAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@@H]12 59779674 NIALLGCBSYYMNQ-VDXZTBFFSA-N 410.730 9.198 0 1 HKAF Clc1ccc(Sc2c(-c3ccc(Br)cc3)[nH]c3ccccc23)cc1 72177077 KIBGDCSQWLNEGU-UHFFFAOYSA-N 414.755 7.402 0 1 HKAF O=C(CN1C(=O)C[C@H](c2ccccc2)Sc2ccccc21)c1cccc(Cl)c1 95589047 RWVCJCCAGGIZTP-JOCHJYFZSA-N 407.922 5.793 0 1 HKAF Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(CN2CCCCC2)cc1 96940172 KUCNWOMZBNNBMS-UHFFFAOYSA-N 423.556 6.730 0 1 HKAF OC1(c2ccc(Cl)c(Cl)c2)C[C@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12 101185037 GZFSOKPLNMYPCE-IAGOWNOFSA-N 401.337 5.489 0 1 HKAF CC1(C)SC(Nc2ccc(Cl)cc2)=NN1C(=O)COc1ccccc1Cl 103172864 RRBWOYVAGZLRKP-UHFFFAOYSA-N 410.326 5.067 0 1 HKAF Cc1cscc1-c1ccc(N)c(NC(=O)c2ccc(CNc3ccncc3)cc2)c1 141001304 RGJJJKIMWOXSNE-UHFFFAOYSA-N 414.534 5.565 0 1 HKAF CC(C)(C)NC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1cc(F)ccc1-c1ccccc1 141339384 HVNDSMXIHVHCOQ-QHCPKHFHSA-N 416.496 5.105 0 1 HKAF Fc1cccc(Nc2nnc(-c3ccc4[nH]cc(-c5nccc(C6CC6)n5)c4c3)o2)c1 145419666 OSEXMPOYORIWSM-UHFFFAOYSA-N 412.428 5.435 0 1 HKAF Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1Br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c1ccccc1)\c1ccccc1 299848891 OQJLLWQBHIUEHH-CZDWONBGSA-N 415.581 5.005 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 299873039 CIBAPVLFORANSS-VLLPCYKISA-N 414.630 6.002 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(F)c(F)c(F)c3[nH]1)N2 587032350 SWJOLYZYAUIQOE-SDZLHINSSA-N 424.473 5.107 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5c(Cl)ccnc5[nH]4)c23)cc1 587040216 XUDXBRCJIIMNQB-UHFFFAOYSA-N 423.954 5.884 0 1 HKAF CN(C)CCOc1ccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 587071177 MIAHWTGUAUBXME-UHFFFAOYSA-N 421.928 5.403 0 1 HKAF O=C(O)c1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587072179 XBRWBLFQRWIXOC-WDZFZDKYSA-N 404.853 5.664 0 1 HKAF Fc1cc(Cl)cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 587117451 SHHXJRGGKHWPRX-UHFFFAOYSA-N 407.198 5.344 0 1 HKAF Cc1ccc2nc([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2c1C 587140965 LCRGFCBGIPOTSB-SFHVURJKSA-N 423.941 5.038 0 1 HKAF COc1ccc(-c2ccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c(F)c2)c(F)c1 587149774 BBFFYOSHAUYPOO-UHFFFAOYSA-N 408.301 5.740 0 1 HKAF Fc1ccccc1-c1cccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 587153614 VEPPBXXRPIYHJA-UHFFFAOYSA-N 402.654 5.847 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587192621 WZBOORUCWAQUFI-HNNXBMFYSA-N 407.301 5.221 0 1 HKAF CC(C)c1ccc(-c2nc3cccc4c3c(c2CCC(=O)O)-c2ccccc2C4=O)cc1 587205675 BYRINDWXIAYFNA-UHFFFAOYSA-N 421.496 6.254 0 1 HKAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cccc(C(F)(F)F)c4[nH]3)c2)c1 587231658 DEHXKOLKXGLDSB-UHFFFAOYSA-N 409.411 5.199 0 1 HKAF Cc1cc(Br)cc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc12 587244050 KTJLBQBZVUSAPC-UHFFFAOYSA-N 406.283 5.553 0 1 HKAF COc1cccc(-c2cc(COc3c(C)cccc3C)nc3c2oc2ccccc23)c1 587362868 MEBNUYWSMXMBRI-UHFFFAOYSA-N 409.485 6.852 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC[C@H]3Cc2ccccc2)c1 587366338 LDNHGXVAXIULDB-FQEVSTJZSA-N 419.524 7.319 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H]3c4ccc5cc(O)ccc5c4CC[C@@]31C)O2 587402691 BGSBJFJIWWMKJG-WDDWZANVSA-N 413.517 5.670 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4ccc(C(F)(F)F)cc4)c1)[C@@H](C2)C3=O 587418880 BJGMFDYVSRLLOD-WMZHIEFXSA-N 410.391 5.870 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Oc3ccc(F)cc3F)cc1)CC2=O 587468498 XIHBCYDSJWYMBO-VWLOTQADSA-N 424.443 6.296 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3oc4cc(N)ccc4c3c1)CC2=O 587473574 XWPDQTCSARUXMO-RUZDIDTESA-N 401.462 5.707 0 1 HKAF C[C@@]1(c2cc(Br)c(Cl)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587503509 HHEITKCBNWNNQZ-FQEVSTJZSA-N 423.709 6.001 0 1 HKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1COc1cc(F)ccc12 587506498 KNKPWVRZSNXEGK-AREMUKBSSA-N 400.449 5.506 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(F)cc2)s1 587574405 ZORHSDBSGNHVLH-QPPBQGQZSA-N 418.445 5.963 0 1 HKAF CC(C)[C@@]1(CSc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608198 PXKYTIYNHRBCLH-XUZZJYLKSA-N 406.503 5.541 0 1 HKAF CCOC(=O)c1c(-c2cccc(Cl)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587622079 WNPPMJRPRHDGCQ-UHFFFAOYSA-N 418.678 5.304 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c(F)cccc2F)(C(F)(F)F)N1 587701062 BTSMKAXJYDJITK-BCTVWOGZSA-N 424.182 5.207 0 1 HKAF CC(C)[C@]1(CCc2cccc(N)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587746686 NZJAVYXXPUWCDZ-SZNDQCEHSA-N 405.355 5.189 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC3CCCCC3)nc2)N1 587768454 CXXACVDFCOGXTL-YEJXKQKISA-N 419.338 5.318 0 1 HKAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc12 587806276 HFUKXKFUASIVET-GTJPDFRWSA-N 400.291 5.374 0 1 HKAF Cc1ccccc1-c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587817142 AHVBVCGIXFGZEH-CMJOXMDJSA-N 410.330 6.187 0 1 HKAF Cc1ccc(C2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 587818602 RJJWEYJIICASCD-JUTLFCHVSA-N 402.351 5.984 0 1 HKAF COc1ccc(C2(c3nc4ccc(SC(F)(F)F)cc4[nH]3)CC3(CCC3)C2)cc1 587934819 FIWMEVAVRYYVTG-UHFFFAOYSA-N 418.484 6.434 0 1 HKAF Oc1c(Br)ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587949888 MENRSERLOYHJSR-JLHYYAGUSA-N 407.267 5.994 0 1 HKAF Clc1c(Br)cnc2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc12 587956778 WCINRMNALHKDLM-OAHLLOKOSA-N 412.718 5.748 0 1 HKAF CCOc1cccc([C@H]2c3ccsc3CCN2Cc2cccn2C)c1OC(F)F 962401207 WICVPGNVPKBJCX-HXUWFJFHSA-N 418.509 5.234 0 1 HKAF c1coc(CN2CCc3sccc3[C@@]2(c2ccsc2)C2C[C@@H]3CC[C@H](C2)N3)c1 962716649 ZUPAMHXBVAOHLG-LZSHCIMRSA-N 410.608 5.235 0 1 HKAF COc1ccccc1[C@]1(CCc2cc(C)ccc2C)NCCc2c1c(C(C)C)nn2C 962915997 ILVFMAMFMGVGAL-MHZLTWQESA-N 417.597 5.191 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cc(C)c(OCc2csc(C)n2)c(C)c1 963227535 JLMFZCBCFPEDIZ-DFBJGRDBSA-N 420.622 6.393 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2C1=Cc2cc(Cl)cc(Cl)c2OC1 963635681 NQQSTVMQVOHROW-PRWKNARSSA-N 406.309 5.062 0 1 HKAF Fc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3c4cc5c(cc4CCN32)OCO5)cc1 1772651977 WAEVDQMBMRSJAV-NVQXNPDNSA-N 412.464 5.281 0 1 HKAF Cc1ccccc1[C@@H]1c2ccsc2CCN1C(=O)Nc1cc(Cl)cc(Cl)c1 1857562737 PCFUHGVYFSIHCP-HXUWFJFHSA-N 417.361 6.543 0 1 HKAF Cc1nnc2n1-c1ccc(-c3cnn(C)c3)cc1[C@@H](Nc1ccc3ccccc3c1)CC2 1857620038 ZVYQOCJLZYXAKO-DEOSSOPVSA-N 420.520 5.229 0 1 HKAF CCN(O)c1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(Cl)cc1Cl 1857755790 URSHFLNICHUEIW-UHFFFAOYSA-N 411.720 5.754 0 1 HKAF CC(C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@](C)([C@@H]4CC[C@H](O)C(C)(C)[C@@H]4C)[C@H](C)[C@@]3(C)CC[C@]12C 2356577344 BICHKMMUIQBJJU-JIIYPZSTSA-N 416.734 7.961 0 1 HKAF COc1ccc(-c2coc3cc(OCC=C(C)CCC=C(C)C)cc(O)c3c2=O)cc1 2356698027 BCMWIEXPSAVRQD-UHFFFAOYSA-N 420.505 6.246 0 1 HKAF CC[C@H](C)[C@H](O)[C@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356784063 NBTBEPDPHDQBGN-WZYMLHFPSA-N 420.678 5.410 0 1 HKAF CC[C@H](C)Sc1ccc(-c2nc3ccccn3c2NCc2ccccc2)cc1OC 61959508 STNYMXFMZPRGJI-SFHVURJKSA-N 417.578 6.513 0 3 HKAF O=C(NCc1ccccc1)[C@H](c1ccccc1)n1c(-c2ccccn2)nc2ccccc21 95571525 JNRQDMFSRXJGDK-VWLOTQADSA-N 418.500 5.004 0 3 HKAF Fc1ccc2nc(-n3ccc4c(Br)cccc43)c(-c3ccccc3)nc2c1 221404686 XQBYARPODNIMRN-UHFFFAOYSA-N 418.269 6.142 0 3 HKAF CCCCc1ncc(/C=C(\Cc2ccccc2)C(=O)O)n1Cc1ccccc1Cl 1552578 MNKLESADFMVAAA-HMMYKYKNSA-N 408.929 5.638 0 1 HKAF Cc1ccc(N2CCN(C3=Nc4cc(Cl)ccc4Oc4ccccc43)CC2)cc1 2184635 YUIMBZJOUNWMDL-UHFFFAOYSA-N 403.913 5.655 0 1 HKAF C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCCN5CCCC5)CC[C@]4(C)[C@@H]3CC[C@@]21C 5845009 PDWOMRLKPDZJKU-YVDYKHFESA-N 414.634 5.169 0 1 HKAF COc1c(O)c(C(C)=O)c(OCc2ccc(OCc3ccccc3)cc2)c2ccoc12 13682316 DELSZIWZFCNARC-UHFFFAOYSA-N 418.445 5.508 0 1 HKAF CCCCc1ncc(/C=C(/C(=O)O)[C@@H](C)c2ccccc2)n1Cc1ccccc1Cl 13728115 FCHNDAICEDXWQQ-LUJYGJGBSA-N 422.956 6.199 0 1 HKAF CCN(CC)CCC[C@H](C)Nc1nccc(OCc2ccc(Cl)cc2Cl)n1 28523219 GEUWNBQWPFHPFW-HNNXBMFYSA-N 411.377 5.285 0 1 HKAF CC(C)N(C(=O)COc1ccc(-c2c(Cl)cc(C(=O)O)cc2Cl)cc1)C(C)C 29410655 PIQUOHNNGNZOKH-UHFFFAOYSA-N 424.324 5.383 0 1 HKAF CCCCc1ncc(/C=C(\Cc2ccccc2C)C(=O)O)n1Cc1ccccc1Cl 36222445 VQGKUPDMKRZMHR-RCCKNPSSSA-N 422.956 5.947 0 1 HKAF O[C@@H](CNc1ccnc(Nc2cccc(Cl)c2)n1)c1ccc(C(F)(F)F)cc1 45334874 HOYZPPZYXXOQRC-INIZCTEOSA-N 408.811 5.038 0 1 HKAF COc1ccccc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(C)cc1 49803857 CSDHQBMXPXZRCA-AKFKNWHVSA-N 420.509 5.848 0 1 HKAF CC(C)=C[C@H]1C[C@]2(C)[C@H](CC[C@]3(C)[C@H]4C(=O)N5c6ccccc6[C@@]5(O)C[C@@H]4CC[C@@H]23)O1 64539785 QJYILEDZEZVBBD-BLIOEKGXSA-N 421.581 5.155 0 1 HKAF Brc1ccc([C@@]2(CCC3CCOCC3)c3ccccc3-c3nccn32)cc1 72110951 XPRHNWSRKLFWHX-QHCPKHFHSA-N 423.354 5.625 0 1 HKAF FC(F)(F)c1cc(Oc2cncc(NCC3CCCCC3)n2)cc(C(F)(F)F)c1 82068560 MMOCRQPIELFYND-UHFFFAOYSA-N 419.369 6.299 0 1 HKAF CC1=C(CC/C(C)=C/CC/C(C)=C/CCC2=CC(=O)O[C@H]2O)C(C)(C)CC[C@H]1O 85998103 HIRZCXOPFLDJON-PICWIAICSA-N 402.575 5.519 0 1 HKAF O=C(Nc1ccccc1-c1nc2cc(Cl)c(Cl)cc2[nH]c1=O)c1cccs1 95560683 XACZURRGZKRLIW-UHFFFAOYSA-N 416.289 5.211 0 1 HKAF CN(Cc1ccccc1)c1cc2nc(-c3ccccc3)nn(-c3ccccc3)c-2cc1=O 95573681 MOTZEACIZKSBGA-UHFFFAOYSA-N 418.500 5.036 0 1 HKAF O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(Oc2ccccc2-c2ccccc2)CC1 103269871 JXZJRPROLYXOJQ-RPBOFIJWSA-N 412.533 5.463 0 1 HKAF Cc1ccc(-c2c([C@H](CC3CC3)C(=O)O)c(C)nc3sc4c(c23)CCCC4)cc1 113123741 YFHZZJZFHCSGMJ-IBGZPJMESA-N 405.563 6.427 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](NC(=O)C5CC5)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 141897473 DZAWAUYONSMYGD-LLPCUEEJSA-N 416.609 5.933 0 1 HKAF Cc1cc2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 196390904 WZVWUSABZGIQJZ-DQCZWYHMSA-N 416.690 8.532 0 1 HKAF CC[C@H](/C=C\[C@H](C)[C@H]1CC[C@@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 255255790 OQMZNAMGEHIHNN-QYULHZLGSA-N 410.686 7.721 0 1 HKAF C(=C1/CCC[C@@H]2C1=NN(CCCN1CCOCC1)[C@H]2c1ccccc1)\c1ccccc1 299848894 OQJLLWQBHIUEHH-NWOVYUSRSA-N 415.581 5.005 0 1 HKAF Oc1ccc(-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)cc1F 299868683 SDIZWFOKVCORMS-UHFFFAOYSA-N 416.330 6.059 0 1 HKAF CCCN(CC[C@@H](C)[C@@H]1CC=C(C)CC1)Cc1ccc2c(c1)[N+](=O)C(C)(C)N2O 377836304 DAHPGIRIOMZKIM-TZIWHRDSSA-N 400.587 6.027 0 1 HKAF CC(C)COc1cc2nc(CCCCc3cccc(O)c3)[nH]c2cc1Br 586896309 PIFSDBRMWDPCHJ-UHFFFAOYSA-N 417.347 5.631 0 1 HKAF CC[C@@H]1OCCC[C@@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 586914244 URQHXPFGWVHMQT-KXBFYZLASA-N 415.331 5.577 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2ccc(Cl)c(C)c2[nH]1 586980978 CLPXEQWQWOZGQQ-UHFFFAOYSA-N 421.766 6.913 0 1 HKAF Cc1c(-c2ccccc2OC(F)F)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987135 TZAOSSUGYCNECA-UHFFFAOYSA-N 403.384 5.729 0 1 HKAF Nc1sc(-c2ccccc2)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586993298 FMNNSJKLMYDHGH-UHFFFAOYSA-N 420.493 6.130 0 1 HKAF CC(C)Oc1ccc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 587072683 USROMGVPTKHYNX-MPWLMCFTSA-N 415.364 7.023 0 1 HKAF Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3ncc[nH]c-3n2)cc1 587076955 OCMZGACBSWSORO-FYWRMAATSA-N 409.880 5.660 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2c1 587116105 NQQSWPKRHQWXHG-UHFFFAOYSA-N 407.193 5.263 0 1 HKAF CC(C)COc1cc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c2cc1Br 587136272 FLGXHDOALLXDOL-UHFFFAOYSA-N 414.225 5.027 0 1 HKAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c(F)c2)c1 587138724 RZIUULVTOIADOB-UHFFFAOYSA-N 404.294 5.291 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)ccc2F)cc1 587139524 NERYTDNVXJSYEA-UHFFFAOYSA-N 400.240 5.940 0 1 HKAF Clc1cnc(Cl)c2[nH]c(/C=C\c3cccc(I)c3)nc12 587184750 VNMKCHODLPQUFY-PLNGDYQASA-N 416.049 5.040 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(-c3cccc(N)c3Nc3cc(C)cc(C)c3)nc2c1 587238692 LUVMNHQEIVCJOE-UHFFFAOYSA-N 420.900 5.613 0 1 HKAF CC(C)[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328920 KTALBJGEQHCURB-VWNXMTODSA-N 410.872 6.095 0 1 HKAF C[C@]1(c2ccnc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332311 RTHUULKGUCAOTI-PZJWPPBQSA-N 417.358 5.219 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](c2ncccc2O)CC3)c1 587362484 GCYSLSQCPVGWPO-QGZVFWFLSA-N 422.484 6.030 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(Br)ccc2CC1(C)C 587457805 NQIWSSBUONJKMH-JOCHJYFZSA-N 415.327 5.550 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1c1ccc(C(F)(F)F)cc1)CC2=O 587464085 IDTKRXDLLJEVJX-PGRDOPGGSA-N 404.428 6.035 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccc(F)c(C)c3)cc1)CC2=O 587465851 HYHUMNBXIOQHSO-AREMUKBSSA-N 404.481 6.340 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(C)cc3)[nH]c3ccccc13)CC2=O 587486477 UGHGNLAULSWZLZ-XMMPIXPASA-N 411.501 6.508 0 1 HKAF O=C1C[C@@H](c2ccc(Oc3cccc(Cl)c3)cc2)Oc2c1ccc1c2CCCC1 587498263 DSCQCBADUYREHY-DEOSSOPVSA-N 404.893 6.718 0 1 HKAF O=C1C[C@](c2ccccc2)(c2ccc(Cl)cc2O)Oc2c1ccc1c2CCCC1 587499444 JDMHCEGMSNIVTF-VWLOTQADSA-N 404.893 5.833 0 1 HKAF C[C@H](Oc1ccc(Cl)cc1Cl)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587503864 GZTLAGIQJFKTJI-WHEQGISXSA-N 405.321 6.064 0 1 HKAF CCOC(=O)[C@@H](Cc1cccc(C)c1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525648 QSLSHQBSOIGMQU-ATIYNZHBSA-N 406.522 5.020 0 1 HKAF C[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550683 WACVPMFTNDSNML-WIYYLYMNSA-N 400.352 5.288 0 1 HKAF CC(C)(C)Oc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587595870 PEESWQGMYRTDNU-SQJMNOBHSA-N 404.462 5.447 0 1 HKAF CC(C)[C@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615343 XEOLWEGUCCDXJA-GHTZIAJQSA-N 400.883 5.620 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ncc(-c2ccccc2)s1 587619434 SMBAJJZLFCQWTA-SIKLNZKXSA-N 401.443 5.219 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc4c(c3)c3ccccc3n4CC)c2c1 587641075 FAQRDNUCKZEJTD-QGZVFWFLSA-N 423.560 7.370 0 1 HKAF CCOc1ccc2nc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)sc2c1 587662858 RUGQAJJSLSGVAR-UHFFFAOYSA-N 417.465 5.200 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(C(F)(F)F)cc32)N1 587711925 JDHFHBYGJXKTOF-YPMLDQLKSA-N 414.240 5.331 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(F)cc3)cc2)N1 587729714 DBHYQECYXCSIIH-WHEQGISXSA-N 414.293 6.018 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cccs2)N1 587731578 HGMAOIBCIALRIZ-YUNKPMOVSA-N 420.322 5.615 0 1 HKAF C[C@H]1C[C@@H](C)CN([C@@H]2CCCC[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)C1 587757750 BJNMSLMRLWSAPW-YFNGHYIGSA-N 423.414 5.238 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)Cc2ccccc2-3)N1 587814410 HQDUOZXMFDZBRA-LFPIHBKWSA-N 422.341 5.957 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C2CCCCC2)N1 587820670 PYGJSWJUTAAOHX-QRQCRPRQSA-N 402.351 5.946 0 1 HKAF CC(C)c1cccc2c1OCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587833511 GPNZYODSGDIBFR-LRTDBIEQSA-N 404.323 5.272 0 1 HKAF Cc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 587848993 QQBSSXAPANDSGL-ZSEKCTLFSA-N 416.359 6.249 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccsc2)N1 587851529 CGBWHMBZOZXNKH-ODXCJYRJSA-N 402.332 5.940 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ccccc3)n2)N1 587853694 QZDPIVJHFVLBBT-BBATYDOGSA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc(C)c(C)c1 587865019 SGWWNVVVPHOSNS-UHFFFAOYSA-N 418.415 5.304 0 1 HKAF O=C(O)CCCCCCCCCCCCc1nc2cccc(Br)c2[nH]1 587957339 XSPVPBFELPAMBN-UHFFFAOYSA-N 409.368 6.244 0 1 HKAF CC(C)(C)OC(=O)Nc1ccc2c(c1)N(C(=O)Cn1cccc1)c1ccccc1CC2 653710244 DZQVIGJRZBSOGB-UHFFFAOYSA-N 417.509 5.299 0 1 HKAF CC(C)(C)C[C@@]1(c2ccc(Cl)cc2Cl)N[C@H](C(=O)O)Cc2cc(F)ccc21 962904277 VHDCNLGTHKDITN-GHTZIAJQSA-N 410.316 5.411 0 1 HKAF Cc1ccnc2c1CCN[C@@]2(CCCCCC(=O)O)c1cc(Cl)ccc1Cl 963071535 JOXWKSRBPBOQNS-NRFANRHFSA-N 407.341 5.121 0 1 HKAF COc1ccc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)cc1COCC(F)(F)F 963103781 GOYNUNHAILNFTB-SFHVURJKSA-N 420.258 5.316 0 1 HKAF CCCC[C@H]1CCC[C@@]12c1c(ccc(OC)c1OC)CCN2C(=O)c1ccccc1N 963151684 YBJXLWZZXJSWSR-SIBVEZHUSA-N 422.569 5.170 0 1 HKAF COc1ccc2c3c(c(=O)oc2c1)[C@@H](C)[C@@](C)(CCC=C(C)CCc1cc(C)co1)O3 2356368870 ARCTXLANJJGIEY-WXTAPIANSA-N 422.521 6.317 0 1 HKAF CCCC[C@H](O)CC(C)=C(C)CCC(=O)CCCCC[C@H](O)CC1CCCCC1 2356440395 ZOVJIBYKNFUISD-UIOOFZCWSA-N 408.667 6.895 0 1 HKAF CC(C)=CCCC(C)=CCC[C@@]1(C)Oc2c(C=O)c(C)c(Cl)c(O)c2C[C@H]1O 2356524510 HOTIAVDHASTISG-AUSIDOKSSA-N 406.950 5.694 0 1 HKAF C[C@@H]1[C@@H]2C3=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]4(C)[C@]3(C)C=C[C@@]2(C)CC[C@H]1C 2356534427 ZSEJPSTXLLEUQU-JJXOVPJESA-N 424.713 7.801 0 1 HKAF O=C(O)CCCCOc1ccc(-n2cnc(-c3ccccc3)c2-c2ccccc2)cc1 13727520 LAUWYKVJKDZLNN-UHFFFAOYSA-N 412.489 5.840 0 1 HKAF Fc1ccc2c(c1)[C@@H](OCc1ccc(Cl)c(Cl)c1)[C@@H](Cn1ccnc1)S2 13775806 CAEKCKZQQBJFRR-RTBURBONSA-N 409.313 5.761 0 1 HKAF COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@@H]23)cc1OCC1CC1 26572221 BQXOJMGGMXNMBL-YADHBBJMSA-N 422.569 5.336 0 1 HKAF O[C@](Cn1ccnc1)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccncc2)cc1 26847906 CWYVPGBOCLRTFU-MUUNZHRXSA-N 417.512 5.548 0 1 HKAF CCO[C@H](CCc1ccc2oc(Cc3nc(-c4ccccc4)oc3C)cc2c1)C(=O)O 27300358 YEXIHLWRAZTOKF-HSZRJFAPSA-N 419.477 5.409 0 1 HKAF CN(C)CCNc1cc(-c2ccc3c(c2)Nc2ccccc2S3)nc2ccccc12 27310941 YMCOKCCTLPXPRK-UHFFFAOYSA-N 412.562 6.084 0 1 HKAF O=C(Oc1ccc(Cl)cc1C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 28713808 PIUGAFKGGGHGDJ-UHFFFAOYSA-N 405.664 6.097 0 1 HKAF FC(F)(F)Oc1ccc(C2=N[C@H](c3cc(Cl)cc(Cl)c3)CN2)cc1Cl 28948583 PCSHOZRRLWJMKY-ZDUSSCGKSA-N 409.622 5.637 0 1 HKAF C[C@@H](N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)cc1)c1cccc2ccccc12 34886799 YTFUQWWKTIWYEY-UOKFIYJESA-N 406.957 5.885 0 1 HKAF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3ccc(C(N)=O)cc3)cc1OC2(C)C 40891708 ZONHXSALQBZLPW-WOJBJXKFSA-N 405.538 5.428 0 1 HKAF Cc1cccc(C)c1NC(=O)[C@H](C)c1ccccc1Nc1c(Cl)cccc1Cl 43120094 BHTKZBRKFXIRTQ-MRXNPFEDSA-N 413.348 7.096 0 1 HKAF CN(C)CC[C@H](NC(=O)c1cccc(-c2ccccc2)c1)c1ccc2ccccc2c1 45300802 SFDMVDLKLWSMFZ-MHZLTWQESA-N 408.545 5.930 0 1 HKAF N=C(N)c1cc2cc(-c3cccc(OCc4ccc(Cl)c(F)c4)c3)ccc2s1 45358483 NBNSPGSHYMSCCB-UHFFFAOYSA-N 410.901 6.224 0 1 HKAF Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Oc3ccc(C(C)(C)C)cc3)c2)cc1 68600785 SYAVVTPBIGAGHM-UHFFFAOYSA-N 423.534 5.313 0 1 HKAF biogenic CCCCCc1nc(-c2cnc(NC3CCCCC3)nc2-c2ccccc2)oc1C 82162520 KYNPSJGJGRYPIM-UHFFFAOYSA-N 404.558 6.584 0 1 HKAF CCCCCn1c(CCc2ccccc2)nc2c(NCc3cccc(F)c3)ncnc21 82184563 PRGDVAQCUBIMAQ-UHFFFAOYSA-N 417.532 5.553 0 1 HKAF Clc1ccc(-c2ccc(-c3nocc3-c3ccc(N4CCNCC4)cc3)o2)cc1 84669670 JARONAMHZKWSCA-UHFFFAOYSA-N 405.885 5.332 0 1 HKAF O=c1[nH]c2cc(-c3ccc(Cl)cc3)ccc2c2[nH]c(-c3c(F)cccc3Cl)nc12 96270705 PAWQBUAAGSRLHH-UHFFFAOYSA-N 424.262 6.184 0 1 HKAF CCc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc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c1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(Br)c(C)c(C)c2[nH]1 586916446 MMBILMBTPRHBCY-YCRPNKLZSA-N 413.315 5.159 0 1 HKAF Cc1cc(Br)ccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586985685 ZNVFUCMMUJJTBP-UHFFFAOYSA-N 416.274 5.890 0 1 HKAF O=C1c2ccccc2-c2cc(-c3c(Cl)ccc(F)c3Cl)nc3ccc(O)c1c23 586986882 QGDRCQVQSHNKCQ-UHFFFAOYSA-N 410.231 6.265 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4nc(Cl)c(Cl)cc4[nH]3)c21 587030459 DXTZBOVFVXKXGV-SNVBAGLBSA-N 403.338 6.224 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(F)cc5[nH]4)c23)cc1 587038650 PXTMYYKWCHYJMO-UHFFFAOYSA-N 406.511 5.974 0 1 HKAF Brc1ccc(Br)c2[nH]c([C@@H]3Cc4ccccc4S3)nc12 587043869 WKKDVGXEOWSELF-LBPRGKRZSA-N 410.134 5.477 0 1 HKAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(CC)cc3[nH]2)c1 587050860 RJSHNHRFQUTVTN-ZHACJKMWSA-N 410.905 5.169 0 1 HKAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(Br)cc(F)cc2[nH]1 587075368 CEDSBESMWITTBN-UHFFFAOYSA-N 418.653 5.553 0 1 HKAF Fc1cc(Br)c2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2c1 587116007 JLFAFVPFSZTPOW-UHFFFAOYSA-N 411.156 5.094 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(Br)nc3[nH]2)c1 587157713 FADZVJUPUWIXPU-UHFFFAOYSA-N 412.262 5.126 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc4ccccc4cc3[nH]2)c(Cl)c1 587159815 UXMRPPPALAAIQP-QHCPKHFHSA-N 402.856 6.677 0 1 HKAF CC(C)Oc1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1 587165925 HPNFVOHYVDGRJC-UHFFFAOYSA-N 406.486 5.456 0 1 HKAF Cc1cc(F)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl 587338310 WPVUDKMNVQWZFZ-GMAHTHKFSA-N 414.835 5.907 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCc3cc4ccccc4cc32)[C@@H]1c1ccc(F)cc1 587350518 HWXOXERXUGIKTO-XNMGPUDCSA-N 410.444 5.885 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C)c2cc(OC)ccc2C3)c1 587362526 JBSZNGSQEKAKLQ-INIZCTEOSA-N 421.496 6.721 0 1 HKAF COc1cccc(-c2cc(CC(C)(C)c3ccccc3)nc3c2oc2ccccc23)c1 587365651 NFDUTKDETCWPCS-UHFFFAOYSA-N 407.513 7.177 0 1 HKAF CCCCOc1ccc(Br)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417849 MWGVWPFWELDUSW-IIBYNOLFSA-N 417.299 5.125 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Oc3ccc(F)cc3)cc1)CC2=O 587471939 MUZAKJXWJULLNM-VWLOTQADSA-N 406.453 6.157 0 1 HKAF C[C@@]1(c2ccc(Br)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587498994 KYUXXJFLBKJYIM-FQEVSTJZSA-N 405.719 5.862 0 1 HKAF CCCC[C@@]1(c2ccc(OC(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502618 FUCQGLMUIGSYTB-QHCPKHFHSA-N 418.455 6.515 0 1 HKAF C[C@]1(c2ccc(OCc3cccc(F)c3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587504115 MRSITPWTOCPWEU-HHHXNRCGSA-N 416.492 6.164 0 1 HKAF O=C1C[C@@](c2ccccc2)(c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587509467 SRHFITRXYLABPI-RUZDIDTESA-N 422.446 6.493 0 1 HKAF Cc1cc(OCc2ccccc2)cc(C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587526594 UOQNJYHVZCQRPX-SANMLTNESA-N 412.529 6.468 0 1 HKAF CC[C@H](C)n1nc(C)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542840 AHWCTQCDFZRHLZ-UZWKXWHHSA-N 412.873 5.224 0 1 HKAF CC[C@H](C)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587544095 LMQPGLNMKVDPES-XHCKBEORSA-N 424.880 5.926 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1sc2ccccc2c1Cl 587619014 QGUNVNCZUHYKGU-DYESRHJHSA-N 408.862 5.963 0 1 HKAF Cc1nn(Cc2c(-c3ccc(Cl)cc3)[nH]c3cc(Cl)c(F)cc23)c(C)c1Cl 587629238 ZNKSZCHUSDSGNM-UHFFFAOYSA-N 422.718 6.796 0 1 HKAF CCCCN(CCCC)c1ccc(-c2nn(CC(C)C)c(=O)c3ccccc23)c(O)c1 587661549 SNQAZHRMUYJKPX-UHFFFAOYSA-N 421.585 5.832 0 1 HKAF Cc1cc(C)cc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587711700 YATZCJXHSZFFPU-KPZWWZAWSA-N 416.256 5.545 0 1 HKAF COc1ccccc1[C@]1(C2CCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587804102 AUGGTAPJUBWDDM-FPTDNZKUSA-N 418.350 5.565 0 1 HKAF COc1ccc2ccccc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587805388 DIAAJOSVHGJVIE-LAJNKCICSA-N 400.291 5.374 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2ccccc2)(c2ccccc2)N1 587815875 QWECQLVFUAGRSO-CMJOXMDJSA-N 424.313 5.249 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SC3CCCC3)cc2)N1 587841384 AVBZBHWPWQCPQM-LRTDBIEQSA-N 420.391 6.247 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccccc1-c1ccccc1 587861763 CJLVGANODSYLTH-UHFFFAOYSA-N 422.406 5.933 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cncnc2[nH]1 587959079 IYAWPJUHONVOHN-WWMAXSSBSA-N 404.602 7.207 0 1 HKAF Oc1ccc(-c2nc(-c3ccc(Oc4ccc(Br)cc4)cc3)no2)cc1 653764359 NKITZRFTEOUTFK-UHFFFAOYSA-N 409.239 5.664 0 1 HKAF Cc1cc2c(cc1F)[C@](C)(c1oc3ccccc3c1NC(=O)c1ccccc1)NCC2 962148200 RKLGQCRGQAUJRA-AREMUKBSSA-N 414.480 5.542 0 1 HKAF Cc1ccc2oc(=O)c([C@H]3c4ccsc4CCN3Cc3ccco3)c(Cl)c2c1 962714139 USKGPJUINMQUBE-OAQYLSRUSA-N 411.910 5.557 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(C)c(C)c2)(c2ccccc2Cl)N1 962953841 WLIOSRGYOFMLOL-HRFSGMKKSA-N 414.980 6.654 0 1 HKAF Clc1ccc(COc2ccc(Cl)cc2[C@H]2NCCc3nc4ccccn4c32)cc1 962986469 UIUZVDSHNABGLU-JOCHJYFZSA-N 424.331 5.455 0 1 HKAF Cc1sc2c(c1C)CCN[C@@]2(c1ccccc1Cl)c1ccccc1CN1CCC1 963019583 HRRBTUQVNCFBDS-RUZDIDTESA-N 423.025 5.662 0 1 HKAF COC(=O)c1ccccc1-c1ccc(CN2c3ccccc3N3CCCCC[C@H]32)cc1 1857584377 VVEPVWPFESICNP-AREMUKBSSA-N 412.533 5.867 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC=C2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857601603 TZMNZSROTXXMLX-IGEYEVRESA-N 400.691 7.635 0 1 HKAF COc1cccc(-c2cn(Cc3cc4c(nc3C)-c3cc(C)c(C)cc3CCC4)nn2)c1 1857640937 ZAQJWIJKWXJTLW-UHFFFAOYSA-N 424.548 5.478 0 1 HKAF CC[C@H](C)CC1=NC[C@H](CCCCN2C[C@@H](C)N(CCCCC(C)C)C2=S)N1 1857656628 NQSOQPAOCPKWEI-HBMCJLEFSA-N 408.700 5.081 0 1 HKAF O=C(O)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 1857748246 OSIIHQBVCIBOKR-CQSZACIVSA-N 407.080 5.246 0 1 HKAF CO[C@@H]1CC[C@]2(C)C(=CC=C3[C@@H]2CC[C@]2(C)[C@@H]3CC[C@@H]2[C@@H](C)C=C[C@H](C)C(C)C)C1 2356313029 RAUIRVMOPWSUHY-XIJLJIJUSA-N 410.686 7.985 0 1 HKAF CC[C@@H](C(=O)Nc1c(C)cccc1C)n1c(-c2cc(C)cs2)nc2ccccc21 95605182 OZPMDGCQCCQGDE-IBGZPJMESA-N 403.551 6.280 0 3 HKAF O=C(Nc1ccc(F)cc1)OCCN1C(=O)CCC12CCC(c1ccccc1)CC2 96019316 FHTHKSJYDMANRX-UHFFFAOYSA-N 410.489 5.093 0 3 HKAF CC(C)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(-c2ccccc2)cc1 2480226 OBJNECUOAGQMOI-UHFFFAOYSA-N 414.480 6.201 0 1 HKAF COc1ccc(-c2ccc(C(=O)O)cc2)cc1OC1(CCCc2ccccc2)CC1 13745207 ZJGKERLRECRRHY-UHFFFAOYSA-N 402.490 5.995 0 1 HKAF CCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CC[C@H](C)C(=O)NCCF 13766089 GNIZQTFYBNNAMS-RMQNZSHHSA-N 419.669 7.880 0 1 HKAF O=C(/C=C/c1cccc(OCc2ccccc2)c1)c1ccc(Cl)c(Cl)c1Cl 34707485 YNDDVURJOTWQSH-FMIVXFBMSA-N 417.719 7.122 0 1 HKAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NCCc3cccs3)c2)[nH]1 40412196 PNFHYGOAHZSEER-UHFFFAOYSA-N 410.543 5.716 0 1 HKAF Cc1cc(N2CC[C@H](CN3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccc2cc[nH]c2c1 43204816 MOLASSDTWOISGN-VQTJNVASSA-N 416.569 5.039 0 1 HKAF CC[C@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)O)c1ccccc1 45338977 BUWAGMJUQPCWLH-DEOSSOPVSA-N 417.505 5.164 0 1 HKAF O=C(c1ccc(NCCn2cnc3ccccc32)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 64559680 AMDOXDXBHYTPFX-FGZHOGPDSA-N 415.924 5.788 0 1 HKAF COc1cc(Nc2nc(C)c(Cc3cccc(Cl)c3)s2)ccc1-n1cnc(C)c1 68249157 CMJQQIIRCOMFNI-UHFFFAOYSA-N 424.957 5.942 0 1 HKAF COc1ccc2cc(S(=O)(=O)Nc3ccc(-c4cccc(Cl)c4)cc3)ccc2c1 73197251 LAQQVLHIYWNTSC-UHFFFAOYSA-N 423.921 5.970 0 1 HKAF CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@@H]1c1ccc(OCc2ccccc2)cc1 73197951 FODNVINVZVFLMT-HHHXNRCGSA-N 422.484 5.658 0 1 HKAF CC[C@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181115 HHYRPMMZIWHVLW-HNNXBMFYSA-N 421.932 5.511 0 1 HKAF O=C1Nc2ccc(Cl)cc2[C@H](c2ccccc2)N[C@H]1Cc1c[nH]c2ccccc12 84544660 SCUOXPXCQXEGTR-GOTSBHOMSA-N 401.897 5.064 0 1 HKAF O=C(O)C1=C[C@@H](O)[C@@H]2C[C@H]3[C@H](CCC/C=C/C=C/c4ccccc4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 84711397 YUFZJFBMKNIVGN-BNXQQGKOSA-N 402.534 5.112 0 1 HKAF Cc1cccc(-n2ncc(C(=O)NCC3CC3)c2-c2ccc(-c3ccccc3)cc2)c1 96142778 ZLHGIMPPDIUTJP-UHFFFAOYSA-N 407.517 5.655 0 1 HKAF O=C(Oc1ccc(-c2ccccc2)cc1)c1cn(-c2ccccc2)nc1-c1cccnc1 103196527 FQBYEBHBVYIBCC-UHFFFAOYSA-N 417.468 5.821 0 1 HKAF CC[C@@](OCCCc1ccccc1)(C(=O)CCCCc1ccccc1)c1ccccc1 103229536 PFDNVJAYTKVMGA-LJAQVGFWSA-N 414.589 6.923 0 1 HKAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1ccc2oc3ccccc3c2c1 103258944 PEAXRVOYMYUBCP-OXJNMPFZSA-N 415.489 5.713 0 1 HKAF Cc1nc2cc(Cl)c(-c3ccc(C(=O)Nc4c(F)cccc4F)s3)cc2o1 142583371 DXOBPHUQIBOKHF-UHFFFAOYSA-N 404.825 6.049 0 1 HKAF O=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)nc2c1 144573661 VJZVOMQNHDALMN-UHFFFAOYSA-N 402.453 6.329 0 1 HKAF Ic1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1 169171086 ZDRAISAWZCJVCR-UHFFFAOYSA-N 423.257 5.645 0 1 HKAF C[C@H](CO)NC(=O)CCC/C=C\C/C=C/C/C=C\C/C=C\CCCc1ccccc1 169292808 OJYRRPROJHHDIB-VRABHJBISA-N 409.614 6.072 0 1 HKAF C[C@H](c1cccc2ccccc12)N1CCC(C(=O)NCc2ccc(F)c(F)c2)CC1 169312122 JRZHRWVSDSAUTE-QGZVFWFLSA-N 408.492 5.207 0 1 HKAF O=C(O)COc1cc2c(c(Cl)c1Cl)C(=O)[C@H](C1CCCC1)[C@@H]2c1ccccc1 169343401 ZUVBTDVFDCCLAE-QZTJIDSGSA-N 419.304 5.591 0 1 HKAF CC(C)N(C(=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C)C(C)C 169370087 AEWWFKWBCCJQAS-UQZJKOMJSA-N 414.634 5.237 0 1 HKAF COc1cnccc1-c1c(-c2ccccc2)n(CCC(=O)O)c2ccc(C3CC3)cc12 211275802 XQDGPJKJSHQJFB-UHFFFAOYSA-N 412.489 5.731 0 1 HKAF in-vitro CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\Cc1cc(CC(=O)O)ccc1O 215679883 KWRMKPPRYRRMKO-FTYICWEASA-N 424.625 7.708 0 1 HKAF Cc1ccccc1Cc1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1 216051976 NLRGZBNZCQKPEZ-UHFFFAOYSA-N 402.925 5.693 0 1 HKAF CCCCCCC(=O)OC/C=C/c1ccc(OC(=O)CCCCCC)c(OC)c1 222327807 UIFYBHSKZOBAHO-OUKQBFOZSA-N 404.547 6.098 0 1 HKAF COc1ccc(-c2nc(NCc3cccc(OC)c3)sc2Cc2ccccc2)cc1 299824928 IYTOZLYQAIQTST-UHFFFAOYSA-N 416.546 6.030 0 1 HKAF O=C(c1ccc2c(c1)CCCC2)C1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 473153954 DKPOTXROAWNZDT-UHFFFAOYSA-N 418.512 5.454 0 1 HKAF CC(C)(C)c1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 587004285 SJJCYLRUMDUAQM-LBPRGKRZSA-N 413.315 5.258 0 1 HKAF Fc1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1Br 587050843 QXLMAHAETSVWGO-YUMQZZPRSA-N 400.078 6.042 0 1 HKAF Sc1nc(S)c2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2n1 587073888 QHLDHNSZKLNXKB-NTCAYCPXSA-N 424.982 5.757 0 1 HKAF Clc1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)nc1Cl 587084137 HFCAHBBOONKIKV-UHFFFAOYSA-N 421.907 5.457 0 1 HKAF FC(F)(F)c1ccc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c(C(F)(F)F)c1 587094970 KZUWJUCIQYNDQO-UHFFFAOYSA-N 400.109 5.969 0 1 HKAF Cc1ccc2c3c(c(Cc4ccccc4)c(-c4ccccc4)nc13)-c1ccccc1C2=O 587099861 VZOFJUWYLGEAPI-UHFFFAOYSA-N 411.504 7.012 0 1 HKAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587148650 CVVDGKJQPHVJIX-CYBMUJFWSA-N 421.785 5.317 0 1 HKAF Fc1cccc([C@@H]2C[C@H]2c2nc3c(Br)ccc(Br)c3[nH]2)c1 587160818 HCIIVPRZXQDWKD-WDEREUQCSA-N 410.084 5.498 0 1 HKAF Cc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1Cl 587239131 IFVPNGDTHKLPDL-OIAISFKWSA-N 419.953 5.080 0 1 HKAF CC(C)CCOc1cc2nc(/C=C/c3ccc(N)cc3)[nH]c2cc1Br 587252347 YNAADBJNZVPCJP-VMPITWQZSA-N 400.320 5.503 0 1 HKAF C[C@]1(c2c(Cl)[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334072 XBYDFAWZJWTQJV-YKSBVNFPSA-N 421.855 5.940 0 1 HKAF CCCCc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587356300 PWZKQCLVROFWNF-AOYPEHQESA-N 404.481 6.148 0 1 HKAF COc1cccc(-c2cc(-c3ccc(OC[C@H]4CO4)cc3)nc3c2oc2ccccc23)c1 587365294 FQVAILZWPQYZNV-NRFANRHFSA-N 423.468 6.101 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-c1ccc(OC(F)(F)F)cc1)O2 587382507 MJRWSGIFGHRVIF-OAQYLSRUSA-N 413.395 5.849 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCc3cnc(Cl)s3)cc1)O2 587412727 KKLFONRCLFGGHJ-NRFANRHFSA-N 414.914 5.147 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccc(OC(=O)c4ccccc4Cl)c1)[C@@H](C2)C3=O 587421731 WYTYKGGVUCXTRZ-MBSDFSHPSA-N 420.848 5.057 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1OCc1ccc(F)cc1)[C@@H](C2)C3=O 587426498 COYIQLHXSMJKGD-CPJSRVTESA-N 404.437 5.076 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(F)cc(Cl)cc1Br)CC2=O 587468963 ZTDZDWJBRYBVJW-INIZCTEOSA-N 413.670 5.606 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(Cc3ccc(F)cc3)c1C)CC2=O 587469142 WWXNZJNQKUWQRT-DEOSSOPVSA-N 407.485 5.657 0 1 HKAF CCCCOc1ccc2ccccc2c1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587478657 GVXPKGCPQHSCNW-DEOSSOPVSA-N 404.506 6.383 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1sc(-c3ccc(C)cc3)nc1C)CC2=O 587493000 FAIRWMGEINBHGZ-DEOSSOPVSA-N 407.535 5.966 0 1 HKAF CCc1nccn1Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC 587512498 OOPYBQNMEMWLSJ-XMMPIXPASA-N 416.521 5.088 0 1 HKAF COc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587524717 MNCJNDDKRUXXHR-HHHXNRCGSA-N 414.501 5.492 0 1 HKAF C[C@]1(Cc2c(Cl)cccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541237 FBBMPHVINJQSMN-SIKLNZKXSA-N 415.272 5.662 0 1 HKAF Cc1ccc([C@]2(Cc3ccncc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587589559 YFDPOWNNFFYUKB-IGKIAQTJSA-N 423.468 5.195 0 1 HKAF CC(C)[C@]1(CSc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608197 PXKYTIYNHRBCLH-URXFXBBRSA-N 406.503 5.541 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3ccccc3Br)[nH]c12 587624437 MFDHUQGKXCUOTA-UHFFFAOYSA-N 416.624 6.304 0 1 HKAF C[C@@H]1CCc2c(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)csc2C1 587662224 XYVFKWGZGCIIEM-CQSZACIVSA-N 418.493 5.077 0 1 HKAF CCc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587709021 HIWSELCFVNWJSY-BBATYDOGSA-N 416.256 5.491 0 1 HKAF Cc1ccc(C)c(-n2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 587752397 DAPWSKKOSZHZBD-OYHNWAKOSA-N 413.334 5.619 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccccn3)cc2)N1 587772966 PUTNRQGBAPZWBI-ZSEKCTLFSA-N 413.290 5.399 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccncc2)(c2ccccc2)N1 587777703 JBAAVEXERQSOSA-IVZQSRNASA-N 411.318 5.004 0 1 HKAF CCC[C@@H](CC1(c2nc3cccc(O)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782891 ZRDFDXSIMXBMNO-IBGZPJMESA-N 406.526 5.630 0 1 HKAF CC[C@]1(c2ccc(-c3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587813195 MZNICOAFJIYVDD-VOIUYBSRSA-N 424.357 6.443 0 1 HKAF Cc1ccc(C(C)C)c2c1[C@@]1(CCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587836714 XNEPTSNBBKDFNC-RCDICMHDSA-N 418.350 5.580 0 1 HKAF O=C(CSc1ccnc2cc(Cl)ccc12)n1nc2cc1Oc1ccc(F)cc1-2 587876376 RSFCWFPOESBTDX-UHFFFAOYSA-N 411.845 5.429 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3ccc4nc[nH]c4c3)n2)cc1 587923031 KXFJCJFRCOYMGP-UHFFFAOYSA-N 410.477 6.641 0 1 HKAF COc1ccc(/C=C\Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)c(OC)c1 587930251 RPQOQSVKDORSSZ-TWGQIWQCSA-N 400.478 5.415 0 1 HKAF COc1cccc(-c2cc(O)cc(-c3nc4c(C)c(Br)cnc4[nH]3)c2)c1 587933150 KYABIGTXYMOUSG-UHFFFAOYSA-N 410.271 5.077 0 1 HKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 587950488 LXNKZZJDZFELQP-IYOUNJFTSA-N 409.368 6.159 0 1 HKAF CC[C@]1(Cc2nc3c(Br)cnc(Cl)c3[nH]2)CC(=O)c2ccccc2C1 587960542 MGHZFBUKFMSWNV-LJQANCHMSA-N 418.722 5.142 0 1 HKAF CC[C@]1(Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)CC(=O)c2ccccc2C1 587961194 QKWBNOHMOKJBMN-HHHXNRCGSA-N 410.517 5.910 0 1 HKAF c1ccc(N2CCN3[C@H](Cc4ccccc4[C@@H]3c3c[nH]nc3C3CCCCC3)C2)cc1 962645152 SDGSDDMVYIBSGP-YIXXDRMTSA-N 412.581 5.294 0 1 HKAF Cc1nc2scc(C3CC3)n2c1[C@@H]1c2ccsc2CCN1Cc1cccnc1 962991809 FIVYGZMMFNMCPQ-NRFANRHFSA-N 406.580 5.186 0 1 HKAF Cc1ccc(C)c2c1CCC[C@@]21N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963176590 IVPBVISOOSKYJM-HRAATJIYSA-N 423.862 5.154 0 1 HKAF COc1ccc(F)cc1-c1cc(Cl)cc([C@@H](CC(=O)O)c2ncc(C)s2)c1 1772593902 QSBRLLUAGWPKET-QGZVFWFLSA-N 405.878 5.526 0 1 HKAF Clc1cccc(Cl)c1COc1cc(Br)cc(Br)c1 1772623643 MULTYBOMEUPNGC-UHFFFAOYSA-N 410.920 6.097 0 1 HKAF COc1cc(C)cc(OC)c1-c1cc(F)cc([C@H](CC(=O)O)c2ncc(C)s2)c1 1772624729 YQCGAFIBRSFAIV-KRWDZBQOSA-N 415.486 5.190 0 1 HKAF N=C1C(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)N1c1c(Cl)cccc1Cl 1772635451 UJUJMUHGXAUFFB-UHFFFAOYSA-N 419.120 6.051 0 1 HKAF NC(=O)c1ccc(-c2cc(-c3ccc(-c4cnco4)cc3)nc(-c3ccco3)c2)cc1 1857768742 SFSYMMFMHNQZAR-UHFFFAOYSA-N 407.429 5.430 0 1 HKAF CCCCCC=CC(=O)O[C@@H]1C[C@@H]2[C@H](CCCC[C@H](O)CCC)CCC[C@H]2N[C@H]1C 2356454605 QNAATLGQMSSVEO-XYOJLYERSA-N 421.666 5.923 0 1 HKAF C[C@@H]1C(=O)CC[C@@H]2[C@@H]3C=C[C@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@@]12C 2356540849 AVTCCGXNGVAPQI-NSUCJAAHSA-N 410.686 7.843 0 1 HKAF CC(C)CCC[C@@H](CO)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356679164 IHBYNELXVANGNE-OFCXPOQJSA-N 404.679 6.441 0 1 HKAF C[C@H](c1nc2ccccc2[nH]1)N(C(=O)Cc1csc2ccccc12)c1cccnc1 95600153 MTHTYYVXIJXZPK-MRXNPFEDSA-N 412.518 5.510 0 3 HKAF O=C(Nc1ccc2ccccc2c1)N[C@@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O 199717957 WHLPCRNOGAVTCT-JOCHJYFZSA-N 421.928 5.196 0 3 HKAF COC(=O)C/C=C/[C@H](C)[C@@H](OCc1cccc(-c2ccccc2)c1)C1CCCCC1 7992064 JNZGOIOYRDXORR-OPERUZJLSA-N 406.566 6.575 0 1 HKAF CCCC[C@@H](O)C[C@@H](O)CCCCCCCCCCC(=O)c1c(O)cc(O)cc1O 13380845 FBFXIJVFPQRQJE-MOPGFXCFSA-N 424.578 5.189 0 1 HKAF biogenic CCCCCC[C@@H](C)OC(=O)NS(=O)(=O)Oc1c(C(C)C)cccc1C(C)C 13747534 MQUTYJCAQZHNQY-QGZVFWFLSA-N 413.580 5.642 0 1 HKAF COc1c(Cl)c(C)c(C=O)c(O)c1C/C=C(C)/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C 13835877 XUAAAHFMBMDZCQ-UMXIGZEWSA-N 418.961 5.862 0 1 HKAF COc1cc(O)cc(O)c1C(=O)[C@@H]1[C@H](CC=C(C)C)C(C)=CC[C@@H]1c1ccc(O)cc1 14636858 UDUSGBMXZRNBJM-PQNGQFLHSA-N 422.521 5.717 0 1 HKAF biogenic FC(F)(F)c1cccc(Nc2nnc(-c3cccnc3CCc3ccncc3)o2)c1 14946569 XXGLWBARAGWFCS-UHFFFAOYSA-N 411.387 5.074 0 1 HKAF Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccccc4C(F)(F)F)cc3)c12 14975359 USYMWIOIMAPLKQ-UHFFFAOYSA-N 412.371 5.740 0 1 HKAF Cc1cc(CCCCCOc2c(Cl)cc(-c3ccc(Cl)o3)cc2Cl)on1 27523196 HRTKULDTSMMAAK-UHFFFAOYSA-N 414.716 6.995 0 1 HKAF CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccsc1 28385745 BNFVKRGJSICPDM-UHFFFAOYSA-N 424.300 6.231 0 1 HKAF C/C(Br)=C\CC/C(C)=C/CC(C)(C)/C=C/C(=O)N[C@H](C(=O)O)C(C)C 28878859 OMCDHSDCANWXMC-YKXLQLROSA-N 414.384 5.210 0 1 HKAF Clc1cccc(-n2cnnc2NCc2cccnc2-c2ccsc2)c1Cl 29126407 NQJABPKGLMCHBX-UHFFFAOYSA-N 402.310 5.310 0 1 HKAF CCC(=O)Oc1c(OC(C)C)c(OC(C)C)c(OC(=O)CC)c2cc(Cl)ccc12 29312735 PERCCGRSFGQIFA-UHFFFAOYSA-N 422.905 5.698 0 1 HKAF Cc1ccc(/C=C2\CN3[C@H]4CC[C@@H]3[C@H](COC(=O)c3ccccc3)[C@@H]2C4)cc1Cl 36270856 PNDOIIRQADCQOY-LRQJNKJFSA-N 407.941 5.372 0 1 HKAF Cc1nnc(-c2cccnc2-c2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cc2)o1 38149559 NROSMDXNTIGNJU-UHFFFAOYSA-N 412.493 5.657 0 1 HKAF C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2ccc(F)c(Cl)c2)c1 40913355 HSONIWQYAHOXJI-NSHDSACASA-N 405.260 5.348 0 1 HKAF CC1=CC2=NC[C@@H](C(=O)c3ccc(-c4ccc(Br)cc4)cc3)CN2C=C1 43118461 CXECSXRYGXYCAR-LJQANCHMSA-N 407.311 5.103 0 1 HKAF CCCCCC1=NN(C(=O)NCC23CC4CC(CC(C4)C2)C3)C[C@H]1c1ccccc1 62225261 HZURZTBRYXBYIM-GKWUYRECSA-N 407.602 5.948 0 1 HKAF Cc1cccc(Nc2nc(-c3ccncc3-c3ccc(C(F)(F)F)cc3)cs2)c1 72113195 YFKKNMHTKOFMRH-UHFFFAOYSA-N 411.452 6.943 0 1 HKAF CC[C@@H](C)Cn1c(C2CC2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 82189477 DFZOMXDZLRVQGY-CYBMUJFWSA-N 418.372 5.711 0 1 HKAF O=C(O)C[C@@H]1O[C@@H](c2cccc3ccccc23)c2cc(Cl)ccc2-n2cccc21 84687291 IOMUUHMNPYQWQL-UPVQGACJSA-N 403.865 5.919 0 1 HKAF Clc1cc(NCc2ccncc2)c2[nH]c3cnc(NCc4ccccc4)cc3c2c1 95554151 DZUDWDJAYLYIBK-UHFFFAOYSA-N 413.912 5.989 0 1 HKAF Cc1cccc(OCCSc2nc3ccccc3n2CCOc2ccccc2)c1 95594744 JNUHTMGJKWVCDM-UHFFFAOYSA-N 404.535 5.595 0 1 HKAF O=C(O)c1cc(-c2ccc(Oc3ccccc3)cc2)nc2ccc(C(F)(F)F)cc12 96927253 AWEPWTXWNMZTED-UHFFFAOYSA-N 409.363 6.411 0 1 HKAF O=C1O[C@@](CCc2ccccc2)(c2ccccc2)CC(O)=C1Sc1ccccc1 100364045 FIBRYMVJJKPDTM-RUZDIDTESA-N 402.515 6.024 0 1 HKAF CC(C)(C)c1cc2n(n1)[C@@H](c1ccc(F)c(Br)c1)C1=C(O)CCCC1=N2 100790283 GTSCFVWKUGVTSS-IBGZPJMESA-N 418.310 5.754 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(-c4ccc(SC)cc4)s1)CN32 100969836 DKEAXYAQHUXDHX-LHKABVTNSA-N 411.592 5.176 0 1 HKAF COc1cc2c(cc1OC)[C@H](c1ccc3c(c1)OCO3)C1=C(O)CC(C)(C)CC1=N2 102768549 NOBGDGWQNZRAGP-QFIPXVFZSA-N 407.466 5.283 0 1 HKAF COc1ccc([C@@H]2C(c3ccc(C)cc3)=NO[C@@]23SCc2ccccc2C3=O)cc1 103188458 RMOQKPHNVXRNEZ-RCZVLFRGSA-N 415.514 5.348 0 1 HKAF CCc1cc(Oc2ccc(-c3ccn4c(CC5CC5)nnc4c3Cl)cc2F)ccn1 114489241 AWJWSLQQMDYKEK-UHFFFAOYSA-N 422.891 5.891 0 1 HKAF COc1ccc([C@H]2C=CCCC=C[C@H]2c2cc(OC)c(OC)cc2OC)cc1OC 138312376 IWWCDRYEUXVJDV-RTBURBONSA-N 410.510 5.503 0 1 HKAF N#Cc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1 143486753 WLXFDQPBSBTMIJ-UHFFFAOYSA-N 424.435 5.090 0 1 HKAF O=C(CCC1CCCC1)Nc1nn2cccnc2c1-c1ccc(OC(F)(F)F)cc1 165935829 ZTXHADSRCXKSCV-UHFFFAOYSA-N 418.419 5.204 0 1 HKAF CN1C(=O)CC[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C(=O)SC(C)(C)C)CC[C@@H]4[C@@H]3CC[C@@H]12 169367883 ZTCPRLTVZUYVAK-GVOHNIQESA-N 405.648 5.524 0 1 HKAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccc(SC)cc2)s1 169372057 DKEAXYAQHUXDHX-DZTZBKNLSA-N 411.592 5.176 0 1 HKAF Cc1nc(N[C@H](C)c2cccc(OCCO)c2)cc(-c2ccc3occ(C)c3c2)n1 205827506 RXBCVCUOIJVBAS-MRXNPFEDSA-N 403.482 5.051 0 1 HKAF C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 255277753 WQLVFSAGQJTQCK-FYGAHSMPSA-N 414.630 5.714 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 257439254 HTSZYABTPJLOMH-SJRPVHDFSA-N 418.706 6.830 0 1 HKAF endogenous,in-man C[C@H](CO)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 261497567 OQIJRBFRXGIHMI-XLGZVPQUSA-N 420.678 5.412 0 1 HKAF endogenous,in-man CCCC1(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)CCC1 586877948 YLCNHIBYNGTRDS-UHFFFAOYSA-N 403.935 5.239 0 1 HKAF Cc1cc(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)ccc1Br 586975415 CIWDYMJPQCJDKP-UHFFFAOYSA-N 416.063 5.265 0 1 HKAF Cc1ccc2c3c(cc(Cc4cccc(C(F)(F)F)c4)nc13)-c1ccccc1C2=O 586992125 DGYSJTBOOPVCJD-UHFFFAOYSA-N 403.403 6.364 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1 587003536 LPTCCDNPHBVQGL-UHFFFAOYSA-N 415.600 5.541 0 1 HKAF O=C(c1ccccc1)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 587033646 YKMRDIVVAXBLLE-UHFFFAOYSA-N 409.514 5.802 0 1 HKAF FC(F)(F)C(F)(F)c1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cn1 587048044 FVWMYCDCGAMUQE-HTQZYQBOSA-N 422.184 6.190 0 1 HKAF CCS(=O)(=O)c1ccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2c1 587048983 FSXRVIQMHNOLPI-UHFFFAOYSA-N 424.909 5.156 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc([C@H](N)N=O)cc2[nH]1 587069211 CZSJZRXUBFNMTC-ULAJQAJGSA-N 415.324 5.960 0 1 HKAF Oc1nc2cc3nc(/C=C(/CCc4ccc(Cl)cc4)c4ccccc4)[nH]c3cc2[nH]1 587073839 PITHLFSEBMKWTF-ATVHPVEESA-N 414.896 5.972 0 1 HKAF CC(C)COc1cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1Br 587080611 NUVOGALZIHBDLV-GOSISDBHSA-N 421.722 5.690 0 1 HKAF Cc1ccc(-c2cc(-c3nc4cc5c(cc4[nH]3)OCCO5)c3cccc(Cl)c3n2)o1 587082737 DMLHQZFNWYRMCU-UHFFFAOYSA-N 417.852 5.771 0 1 HKAF CCOC(=O)COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587105888 GOIAOVHVCPWRJE-UHFFFAOYSA-N 409.441 5.055 0 1 HKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(Cl)c(Br)cnc2[nH]1 587113915 ORYLJXOJIBWRTH-QMMMGPOBSA-N 418.644 5.739 0 1 HKAF COc1ccc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(F)c1 587148444 HPSPWZUAEQUTGB-UHFFFAOYSA-N 403.173 5.083 0 1 HKAF O=C(Nc1cccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1)c1ccc(F)cc1 587162153 DHXWNXJGSROUGJ-UHFFFAOYSA-N 400.335 5.035 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(Br)cc2[nH]1 587191507 MATODHXXOLZCRA-KRWDZBQOSA-N 416.319 5.282 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1 587233536 QGPUQFGXZJBUFJ-ZWKOTPCHSA-N 409.555 5.875 0 1 HKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(Br)cnc2[nH]1 587246562 CEIVXWDDFXBEIN-UHFFFAOYSA-N 409.287 5.135 0 1 HKAF CC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(F)ccc2O1 587330433 FDIZCENLWUGQRH-ISKFKSNPSA-N 406.384 5.221 0 1 HKAF C[C@@]1(CCc2n[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344488 GWDQIDGUUDMLHK-NOZRDPDXSA-N 416.452 5.158 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccncc2)[C@@H]1c1ccc(F)cc1 587345273 ILZVNJYGMDRRKW-AOYPEHQESA-N 411.432 5.229 0 1 HKAF COc1cc(C)c(C)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350224 KBGLOBQUVQENPD-ILBGXUMGSA-N 406.453 5.431 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCCCC23CCCCC3)[C@@H]1c1ccc(F)cc1 587354705 REATWFYCXMWFMZ-BVAGGSTKSA-N 408.513 6.544 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC=C[C@@]5(C)CC[C@@H]43)C1)O2 587410276 ZHUZSMSKGIGZAN-QOIHDOBCSA-N 419.609 6.490 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccc(C)c(F)c3)cc1)CC2=O 587465147 BFORFVVHMMZUFT-AREMUKBSSA-N 404.481 6.340 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)c(OCc3ccccn3)c(C)c1)CC2=O 587486112 AEUCPURWNDMQPX-XMMPIXPASA-N 417.505 5.642 0 1 HKAF O=C1C[C@](c2ccc(F)cc2)([C@H]2CC[C@@H](C(=O)O)C2)Oc2c1ccc1c2CCCC1 587508006 XIKYXQXDTHWPPL-QDKQFYOWSA-N 408.469 5.066 0 1 HKAF COc1ccccc1[C@@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587509668 VWWAYTBPBQOMGC-SANMLTNESA-N 418.920 6.136 0 1 HKAF Cc1cc(Cl)c2c(c1)[C@@]1(CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551743 JEIALXHNUOEOGK-GBXCKJPGSA-N 422.864 5.384 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1ccc(F)cc1 587571402 NYBRCAHZICMGHS-ZEQKJWHPSA-N 412.416 5.901 0 1 HKAF CC(C)CCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587599703 YZOMMTBNPAOJFE-RDGATRHJSA-N 404.462 5.520 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1Cc1cccs1 587612739 MVOQZTRJBPQTSU-NFBKMPQASA-N 403.459 5.006 0 1 HKAF C[C@@H]1CSc2ccc(Cl)cc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587620590 ZVAOLAKGTJSMFI-MCYRLUQKSA-N 424.905 5.645 0 1 HKAF O=C(c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(F)c(Cl)c12 587628016 GIFDGKDIWGVBIV-UHFFFAOYSA-N 418.682 7.165 0 1 HKAF Cc1[nH]c2ccc(F)c(Cl)c2c1CN(Cc1ccccc1)C(=O)OC(C)(C)C 587630162 GENDBZVZGFNGCP-UHFFFAOYSA-N 402.897 6.206 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(CCCCC3OCCO3)c(NC(=O)OC(C)(C)C)c2c1 587640608 BOFUNHJIOUOEBC-INIZCTEOSA-N 416.562 6.114 0 1 HKAF Cc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587708825 DZXBEKXPQWHZSM-PIGZYNQJSA-N 402.229 5.237 0 1 HKAF COc1cc(C(F)(F)F)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587715213 XHGQNBQZXBATDP-HUTHGQBESA-N 418.228 5.239 0 1 HKAF Cc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC(F)F 587718234 NIOBBGDZKQPXOO-HWPZZCPQSA-N 400.238 5.122 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(F)c3F)o2)N1 587725823 GJZIFXQPFMGGQN-WVDJIFEKSA-N 422.244 5.750 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)CN(C)Cc2ccccc2)N1 587738851 DDTWYPSWZXDJNF-BTYIYWSLSA-N 419.382 5.322 0 1 HKAF Cc1ccc(C)c(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587758744 XZODKRZATBFHDV-OYHNWAKOSA-N 413.334 5.619 0 1 HKAF CC(C)CCOc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587788829 AFOXMSUFUFMJHQ-LHSJRXKWSA-N 406.339 5.637 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccsc3)c2)N1 587853295 MJBBRYVJKRHVSS-MPBGBICISA-N 402.332 5.940 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc(C=O)sc3s2)N1 587858765 UEKDDUBUFJPKOZ-PWJLMRLQSA-N 410.333 5.301 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2cc(C)c(C)cc2s1 587865124 XTRPPUSUMORFRG-UHFFFAOYSA-N 403.429 5.793 0 1 HKAF O=C(c1cc2cc(Br)ccc2s1)n1nc2cc1Oc1ccc(F)cc1-2 587877069 YLNCGPXAIYXGNH-UHFFFAOYSA-N 415.243 5.461 0 1 HKAF COc1ccc([C@H](c2ccccc2)c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 587933446 OQWZDYMJMJQKGG-NRFANRHFSA-N 421.338 6.131 0 1 HKAF C[C@H](c1cccc(Cl)c1)[C@@H]1NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962952563 IWMZNDGKIAUUDT-VLIAUNLRSA-N 409.879 5.855 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CC)(c2cc(Br)c(C)s2)N1 962953243 LAICRJCRRKOEGC-RBZFPXEDSA-N 403.389 5.878 0 1 HKAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@H]2c1ccc(C(F)(F)F)s1 962957722 PIVSSXOEUOMYPT-MRXNPFEDSA-N 421.406 5.527 0 1 HKAF Cc1ccc2cc([C@H]3c4ccc(F)cc4C[C@@H]4CCCN43)c(N3CCCCC3)nc2c1 963106960 OIYSDFDJEMOSHM-BKMJKUGQSA-N 415.556 5.783 0 1 HKAF Cc1ccc(C)c([C@]2(CCc3ccccc3C)c3c(F)cccc3C[C@H]3CCCN32)c1 963108265 OPBAMKHIUAZSFC-VAVYLYDRSA-N 413.580 6.648 0 1 HKAF Cc1ccc(CC[C@]2(C3CCC3)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1C 963218987 CFWVJBQVISPQDE-XNMGPUDCSA-N 414.549 5.079 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@]2(c1ccc(F)cc1)c1ccccc1Cl 963256121 ABEFGXRQFWSCMH-QFIPXVFZSA-N 402.296 5.579 0 1 HKAF CCN=c1cc(-c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2F)cc[nH]1 1857766455 LAEJCWKMQLYTNN-UHFFFAOYSA-N 418.394 5.404 0 1 HKAF O=C(CCc1ccccc1)Nc1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 1911574613 JBHJZAONIDZRNH-UHFFFAOYSA-N 420.310 5.564 0 1 HKAF C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)N2C[C@H](C)CC[C@@]12C 2356484993 OTNXWKXFAAUSLG-XQVDLDROSA-N 411.674 6.045 0 1 HKAF CC(C)C[C@@H](C)[C@@H](C)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356497283 JQULJCPOAMRTHP-YFZPZGHRSA-N 414.718 7.881 0 1 HKAF CC(C)C[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 2356663532 KYFQWFLHOZFGNN-CNEHVLMVSA-N 410.686 7.721 0 1 HKAF CC(C)=CCN1C(=O)[C@@]2(CC(C)=CC[C@@H](COc3ccccc3)O2)c2ccccc21 36381988 HEHNCNNGJHGQJK-BKMJKUGQSA-N 403.522 5.399 0 3 HKAF CCCCNc1c(-c2cccc(SC3CCCCC3)c2)nc2ccc(Cl)cn12 36382332 RHXBZPHLGKPZIT-UHFFFAOYSA-N 414.018 7.292 0 3 HKAF Cc1ccccc1[C@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 1910470 PYNFKKBWKOSQPJ-XNMGPUDCSA-N 417.593 5.588 0 1 HKAF CCOc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C)C(C)C 2481741 PPPJPPYVASFXNG-OAHLLOKOSA-N 412.917 5.835 0 1 HKAF CCCCC[C@H](C)[C@H](O)CC[C@@H](C)CCC[C@@H](C)CCOC(=O)c1ccccc1 12153923 KWMDECCDBHDQSM-ONTNHIFESA-N 404.635 7.034 0 1 HKAF biogenic CCc1nc2c(-c3ccc(C(F)(F)F)cc3Cl)nccc2n1[C@H](CC)C1CC1 13479636 JYDUPUKAOKKYHE-MRXNPFEDSA-N 407.867 6.694 0 1 HKAF Cc1ccc(-c2c(-c3ccccc3)sc(N)c2C(=O)c2ccc(Cl)cc2)cc1 13518347 YAQRNSIWZUDBOL-UHFFFAOYSA-N 403.934 6.857 0 1 HKAF CCCCCN(C)Cc1ccc(COC(=O)[C@H](c2ccccc2)C2CCCCC2)o1 13602040 PYQOPHGZBOOZQV-RUZDIDTESA-N 411.586 6.309 0 1 HKAF Clc1ccc([C@]2(Cn3ccnc3)OC[C@@H](c3ccc(Cl)cc3Cl)O2)cc1 28769618 YAJAVHCPGKNFEZ-RBUKOAKNSA-N 409.700 5.484 0 1 HKAF COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccco4)cc13)CC2 28877931 JXCCNCOVOMQXNP-UHFFFAOYSA-N 419.477 5.277 0 1 HKAF Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(N)ncc2c1 29134760 SLDNXLAQRVJNJO-UHFFFAOYSA-N 422.410 5.459 0 1 HKAF O=C1c2ccccc2[C@](OCc2cccc(O)c2)(c2ccccc2)N1Cc1ccccc1 35064186 RYOPJZHGOZAKKS-MUUNZHRXSA-N 421.496 5.466 0 1 HKAF C/C(=C\C1CCCCC1)[C@H](NC(=O)c1cccnc1)c1ccc(-c2ccccc2)cc1 38179223 DTBUUXNDAQUETK-DYCVSJHOSA-N 410.561 6.746 0 1 HKAF CCCCN(Cc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 40952669 FXKCJMNHVGXENM-UHFFFAOYSA-N 405.382 5.806 0 1 HKAF COc1cc(Br)c(Nc2cc3sc(C)c(C)c3cc2C)cc1OC 42965065 NZCFPHPFIOAEMX-UHFFFAOYSA-N 406.345 6.350 0 1 HKAF O=C(c1ccc(Cl)cc1)[C@@H]1[C@H]2c3ccccc3OC[C@H]2N2Cc3ccccc3C[C@H]12 64549633 WNCQEANXQNHVMA-SDZTWWDVSA-N 415.920 5.124 0 1 HKAF CC[C@H](C)c1ccc(-n2c(=S)oc3ccc(Br)cc3c2=S)cc1 64560661 BVBSSKNRXSMIHT-NSHDSACASA-N 406.370 6.958 0 1 HKAF CC[C@@H](C)Cn1c(CCc2ccccc2)nc2c(NCc3ccc(F)cc3)ncnc21 82185857 XNTDPTQGGLDBNB-GOSISDBHSA-N 417.532 5.409 0 1 HKAF CCCC[C@H](Nc1nc(-c2ccc(OC)cc2)cs1)C(=O)NCc1ccc(C)cc1 82195598 JNKLKJIHUSIYJM-NRFANRHFSA-N 423.582 5.414 0 1 HKAF O=C(c1cnc(NC2CCCC2)nc1-c1ccc(-c2ccccc2)cc1)N1CCCC1 82217295 WQMGSKVHSRJKNR-UHFFFAOYSA-N 412.537 5.401 0 1 HKAF O=C1C[C@@H](c2nc(-c3cccc(Cl)c3)no2)CN1c1ccc(Cl)c(Cl)c1 84712878 YRTXJHRXGRMPOL-LLVKDONJSA-N 408.672 5.217 0 1 HKAF CCN(CC)C(=O)[C@@H]1Sc2ccccc2-c2c1c1ccccc1n2CCCCF 96909225 NIDPCGXDRRILBS-HSZRJFAPSA-N 410.558 6.073 0 1 HKAF Fc1ccc(-c2conc2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)cc1 103235656 RHSCMZYLDDYLKM-UHFFFAOYSA-N 416.456 5.123 0 1 HKAF Cc1cc(N)c2cc(NC(=O)c3ccc(-c4cncc5ccccc45)cc3)ccc2n1 103236383 PGHNOSVSTPOXIT-UHFFFAOYSA-N 404.473 5.593 0 1 HKAF COc1ccc(CN(CCc2ccccc2)Cc2ccc(Cl)cc2Cl)cc1O 103277641 QXLFIWWJJLWFPE-UHFFFAOYSA-N 416.348 5.953 0 1 HKAF Cc1cnc(-c2ccccc2C(C)C)nc1N(C)Cc1ccc(-c2cccnc2)cc1 169303444 SVTZPPDQAVJXJV-UHFFFAOYSA-N 408.549 6.274 0 1 HKAF CO[C@H](c1ccc(C)cc1)c1cnn2c(-c3ccccc3)cc3c(Cl)cccc3c12 169327090 NCVAUPXBLJMLMS-AREMUKBSSA-N 412.920 6.852 0 1 HKAF Cc1cccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCC(F)(F)CC2)c1C 207589038 JTQVHGRELGUEGF-HXUWFJFHSA-N 406.904 5.159 0 1 HKAF CCCCCC[C@H](C)/C=C\C/C=C\C/C=C/C/C=C\CC[C@H](C)C(=O)NCCF 231934545 RAMPXDRFGKYVNF-HJGMWNIJSA-N 405.642 7.490 0 1 HKAF COc1cc2c(cc1O)O[C@H]1c3ccc(O)c(C/C=C(\C)CCC=C(C)C)c3OC[C@@H]21 238788298 GIZZVIVXSZOUBO-STONFYQDSA-N 422.521 5.951 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](C)C[C@@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253685198 DHZJVHCWDITFSE-CCHXTOEHSA-N 401.679 6.832 0 1 HKAF CC[C@H](C)NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccccc1F 299887579 ZCUHJOCIFKATHC-FJNUEJFBSA-N 424.564 5.294 0 1 HKAF COc1cccc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c12 586918967 WCTNHGRWKLTMLL-UHFFFAOYSA-N 418.493 5.231 0 1 HKAF C[C@H](C(=O)O)c1c(-c2cccc(F)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987260 CFOJIABQRGNPPC-LBPRGKRZSA-N 413.404 5.146 0 1 HKAF Cc1ccc2c3c(c(Cc4ccc(F)c(OC(F)F)c4)cnc13)-c1ccccc1C2=O 586996040 OYMVNTWJQYRCIO-UHFFFAOYSA-N 419.402 6.086 0 1 HKAF Cc1nc(C2CC2)sc1-c1nc2cc(Br)c(Br)cc2[nH]1 587012722 SPEPGBCSFWJRDL-UHFFFAOYSA-N 413.138 5.397 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4c(ccc5nc(C)ccc54)[nH]3)cc2)n1 587021943 RHQVYQZNRPWCEE-UHFFFAOYSA-N 402.548 6.144 0 1 HKAF Clc1ccccc1OCCn1c(-c2nc3c(Cl)ncnc3[nH]2)cc2ccccc21 587064205 OUNMWCOTFXMGDF-UHFFFAOYSA-N 424.291 5.360 0 1 HKAF COc1cc(Cl)cc(C=O)c1OCc1nc2cccc(OCc3ccccc3)c2[nH]1 587066717 GOQIAJSKLJSPIX-UHFFFAOYSA-N 422.868 5.195 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(CCO)cc2[nH]1 587069250 DLIBHGSHELAJEP-CHWIRNKESA-N 401.337 5.771 0 1 HKAF Cc1onc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)c1COc1ccc(Cl)cc1 587076349 QOGQMMKERYEKIG-UHFFFAOYSA-N 408.767 5.173 0 1 HKAF Sc1nc(S)c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2n1 587082636 SXWJGQHADPISNM-UHFFFAOYSA-N 421.938 5.466 0 1 HKAF Fc1cc(Br)c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2c1 587084357 ZURCZNMXMXQRPB-UHFFFAOYSA-N 402.654 5.847 0 1 HKAF CN(C)CCOc1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1 587129671 ZHOVZFZUJJJVJO-UHFFFAOYSA-N 414.481 5.231 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c(F)c2)c(F)c1 587150275 BUJQEBXNCQZIAN-UHFFFAOYSA-N 416.330 5.505 0 1 HKAF C[C@H](Oc1ccc(F)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587169499 XYBRUTHFNVZFSE-QMMMGPOBSA-N 403.173 5.623 0 1 HKAF C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587195807 NNRGCLFGGDCGJM-SNVBAGLBSA-N 412.253 5.562 0 1 HKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 587238001 BZWNOZQSOYKXRS-UHFFFAOYSA-N 412.415 6.071 0 1 HKAF CC(C)[C@]1(CCc2cccc(N)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341011 XKQPKWRJBIILIS-RSXGOPAZSA-N 419.496 5.500 0 1 HKAF COC(=O)N[C@H](c1ccccc1)C(C)(C)[C@@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 587385656 DPZRDXSBEJSELC-RDGATRHJSA-N 424.541 5.061 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1nc(-c4cc(Cl)ccc4Cl)cs1)[C@@H](C2)C3=O 587451315 NCWBOMXRICYTQD-ORAYPTAESA-N 418.301 5.614 0 1 HKAF CC[C@]1(c2ccc(OCc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587525715 RKIOMEJYFMHUPJ-MUUNZHRXSA-N 412.529 6.415 0 1 HKAF CCc1oc2ccc(C(C)=O)cc2c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587533960 SWTODYJTQZXDKG-SANMLTNESA-N 402.490 5.957 0 1 HKAF Cc1cc(C(F)(F)F)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550348 UYNJLYCBWHCPAD-GHTZIAJQSA-N 400.352 5.422 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cnc(Cl)c1Cl 587550470 BFGWISAUSYCMRK-KBXCAEBGSA-N 422.651 5.450 0 1 HKAF Cc1cc(C)cc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)c1 587581690 JAGXGNDPWLHHQR-QHCPKHFHSA-N 415.489 5.010 0 1 HKAF Cc1ccccc1-c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587603449 OSMOLWHHHYRPQU-IGKIAQTJSA-N 408.453 6.071 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)c(N)c(Cl)c2)N1 587697501 WISHTZAPQBRIAP-RBHXEPJQSA-N 418.137 5.275 0 1 HKAF CC[C@]1(c2cccc(Cl)c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587724864 MBJVNCMXSFUMRY-XTZNXHDOSA-N 400.694 5.569 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(Cc3ccccc3)[C@H](C)C2)N1 587762750 UPGUVFYXSDQODU-MCFFVMPBSA-N 417.366 5.002 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC2CCCCC2)(c2ncccn2)N1 587771758 CREPWJMKCGPQQK-SZNDQCEHSA-N 418.354 5.126 0 1 HKAF CCOc1cc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)C 587801129 ITTLORQWNPXQCM-PEBXRYMYSA-N 420.366 6.042 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccccc3)cc2)N1 587813470 DBWPMQVVAVDYCB-CMJOXMDJSA-N 410.330 6.053 0 1 HKAF CCCCCC[C@@]1(c2ccc(O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587832480 JQYQAMUJPBGORK-QRQCRPRQSA-N 420.366 6.042 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2SC(C)(C)C)N1 587838113 BGNGOJPCYZGCGD-BUXKBTBVSA-N 408.380 6.102 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccsc2Br)N1 587841813 CQRWPUPULOGLRD-WPPNPWJKSA-N 405.130 5.036 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1ccc(F)cc1 587864616 NDOSHMCBRVBFLW-ZDUSSCGKSA-N 422.378 5.214 0 1 HKAF Brc1ccc(-c2nnc(Nc3cccc(Br)c3)s2)cc1 653723888 GGLGVWMTKNVKKK-UHFFFAOYSA-N 411.122 5.474 0 1 HKAF COc1ccc2c(c1)[C@@](C)(c1ccc(Br)cc1Cl)N(C(C)C)CC2 962085923 BBQDIGPTOHJVLK-HXUWFJFHSA-N 408.767 5.641 0 1 HKAF CC(C)(C)C[C@]1(c2ccc(Cl)cc2F)NCCc2cccc(-c3ccccc3)c21 962667358 NXWWSAJHZIBOGE-AREMUKBSSA-N 407.960 6.972 0 1 HKAF O=C(O)c1cc(-c2ccc([C@H]3c4c(F)cccc4C[C@H]4CCCN43)o2)ccc1Cl 963098431 GRMYZTIVAYFUNX-QRQCRPRQSA-N 411.860 5.547 0 1 HKAF Clc1cc(Cl)cc(CN[C@@H]2CCC[C@H](c3nc4ccc(Cl)nc4[nH]3)C2)c1 1772602002 RYGMQGKMDCABQZ-SWLSCSKDSA-N 409.748 5.734 0 1 HKAF CNc1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)c(C)c2)ncn1 1772614653 CTQWBODLLAHCOP-UHFFFAOYSA-N 418.284 5.570 0 1 HKAF Cc1noc(C)c1-c1cc(Cl)c(Nc2ccccc2-c2nc(=O)o[nH]2)c(Cl)c1 1857543346 SWNYIUSVPDIGEZ-UHFFFAOYSA-N 417.252 5.352 0 1 HKAF COc1cc2nccc(Oc3ccc(NC(=O)Cc4ccccc4)cc3)c2cc1OC 1857577065 LEINVLQRBDXUKG-UHFFFAOYSA-N 414.461 5.226 0 1 HKAF CC(C)CC=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356401976 WDYABBHZLHRNEE-CMLATAPCSA-N 418.662 5.330 0 1 HKAF CC1=CC[C@H](C(C)=CC=C[C@]2(C)CCC(C)=C[C@H]2C=C(C)[C@H]2CC=C(C)CC2)CC1 2356507732 GFNIWJNBRRFVIS-GCXHJFECSA-N 404.682 9.291 0 1 HKAF C[C@@H]1CN=C([C@@H](C)[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C(=O)C1 2356549047 PFDDAGIZOOZFQC-PXANOCAPSA-N 413.646 5.692 0 1 HKAF CC(=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)[C@H](C)C(C)C 2356553068 MNBTWOPOWPOHGH-YXRWVICHSA-N 410.686 7.721 0 1 HKAF CC(=O)C[C@H](C)COCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]12C 2356784693 PSCPTEHCJTYRLJ-CDTSBTHOSA-N 404.635 6.114 0 1 HKAF CC(C)OP(=O)(OC(C)C)[C@@H](Nc1cccc(C(F)(F)F)c1)c1ccccc1 1646003 AYIWGPDNEAZTHT-LJQANCHMSA-N 415.392 6.859 0 1 HKAF CCCCN(CCCC)C[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2ccsc12 2005037 RTTXHLAUQPGEIO-OAQYLSRUSA-N 423.544 7.009 0 1 HKAF CCCN1C(=O)c2cc(C(=O)Nc3cccc(F)c3)ccc2[C@H]1Nc1cccc(F)c1 9609086 FJZBLLLMXYFJAC-QFIPXVFZSA-N 421.447 5.194 0 1 HKAF COc1ccc2c3c(c(=O)oc2c1)[C@H](C)[C@@](C)(CC/C=C(\C)Cc1cc(C)co1)O3 13460819 GKKFSJKWTPVFGM-CYWISYQWSA-N 408.494 5.927 0 1 HKAF in-vitro c1ccc2c(NCCCCCCCCCNc3ccncc3)c3c(nc2c1)CCCC3 13801255 SOARTDIDZFKTKX-UHFFFAOYSA-N 416.613 6.763 0 1 HKAF Cc1cc(C)c(NC(=O)c2c(C)n(-c3c(C)cc(C)cc3C)c(C)cc2=O)c(C)c1 28767078 XNSRCDSKQFPMSI-UHFFFAOYSA-N 402.538 5.557 0 1 HKAF C(CCCCCCC1=N[C@@H]2CCCC[C@@H]2N1)CCCCCC1=N[C@@H]2CCCC[C@@H]2N1 28865508 MBECNIXDQMCFPX-WAPCQROESA-N 414.682 6.293 0 1 HKAF O=C(N[C@H](Cc1ccccc1)c1cccc(O)c1)C(c1ccccc1)c1ccccc1 29347654 CRRVMUVDDNCKJQ-AREMUKBSSA-N 407.513 5.624 0 1 HKAF CC(=O)OC[C@H](CO)OC(=O)C[C@H](C)CC[C@]1(C)C2=CCCC(C)(C)[C@H]2CC[C@@H]1C 38860399 PJOREQSYWOKTEE-NHHJNBEHSA-N 422.606 5.059 0 1 HKAF biogenic C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 40164493 INBGSXNNRGWLJU-ZIKOTDOUSA-N 402.663 6.504 0 1 HKAF endogenous,in-man CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12 40392651 QJJLVGQGZQRCSH-UHFFFAOYSA-N 400.881 5.459 0 1 HKAF CC(C)=CCc1cc2c(cc1O)OC[C@H]1c3cc(O)c4c(c3O[C@H]21)C=CC(C)(C)O4 43075840 RUXZLRGFTZAFJO-FDDCHVKYSA-N 406.478 5.400 0 1 HKAF biogenic CN(C)CCc1coc2ccc(C(=O)Nc3ccc(-c4ccc(O)cc4)cc3)cc12 45322953 JNHMRSNPGITDAO-UHFFFAOYSA-N 400.478 5.162 0 1 HKAF FC(F)(F)c1cccc(-n2cc(C3=NO[C@@H](c4ccccc4)C3)c3ccccc32)c1 66074001 TYSHNHPQFVHZIO-HSZRJFAPSA-N 406.407 6.515 0 1 HKAF CC[C@H](C)Cn1c(-c2cccnc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188137 ONJIRUOZDFODJQ-ZWKOTPCHSA-N 400.530 5.150 0 1 HKAF CC1CCC(NCc2ccc3c(c2)CC2=C(c4ccc5cc(O)ccc5c4)N=N[C@@H]23)CC1 87612899 DTIZFHQPZBVRCQ-WSMHVPJUSA-N 423.560 6.688 0 1 HKAF CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SC)nc(O)c32)cc1 100704522 XQGXCNUDGJYUFC-MRXNPFEDSA-N 411.527 5.153 0 1 HKAF Cc1cccc([C@H]2C3=C(O)c4ccccc4C3=Nc3nn(-c4ccccc4)c(O)c32)c1 101701943 SNQAHNHNIPJPTK-FQEVSTJZSA-N 405.457 5.435 0 1 HKAF aggregator CCCCNC(=O)c1c(N)sc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 103143738 NYXPBKAJSGDSJN-UHFFFAOYSA-N 419.377 6.501 0 1 HKAF Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3ccccc32)cc1 139380423 XZQIWCOPMJNDJM-UHFFFAOYSA-N 402.519 5.390 0 1 HKAF CCC[C@H](Nc1cncc(-c2ccc(NC(=O)NCC)c(OC)c2)n1)c1ccccc1 139547528 BYWUCYODFIBJCO-IBGZPJMESA-N 419.529 5.247 0 1 HKAF CC(C)=CCN1c2cc(Br)ccc2[C@]2(CC=C(C)C)CN(C)O[C@]12C 238748123 AYBQLLURTWTJFL-SFTDATJTSA-N 405.380 5.423 0 1 HKAF CN1[C@H]2CC[C@H]1[C@@H](c1cc(Cc3ccc(F)cc3)no1)[C@@H](c1ccc(Cl)cc1)C2 253806516 LXNFWMBEBKFFDO-KHUIQGCPSA-N 410.920 5.792 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]45C[C@]35CC[C@@]12C 255242349 NAJCQAAOHKVCES-XYZATBJOSA-N 424.713 8.377 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H](C(C)=O)CC[C@]23C)C1(C)C 255286814 ZEFDQPPZEFOVSL-IGJPSDKNSA-N 402.619 6.192 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 261495616 DDJMOMHMVFXEQF-BHOYAMEWSA-N 400.691 7.923 0 1 HKAF endogenous,in-man O=C1c2ccccc2-c2cc(-c3nc(Br)ccc3F)nc3ccc(O)c1c23 586989150 YYZZOZYRZVOESS-UHFFFAOYSA-N 421.225 5.115 0 1 HKAF Clc1ccc(-c2cccc3ccccc23)cc1-c1nc2cc3c(cc2[nH]1)OCCO3 587049933 NPBHJQYROPVGGU-UHFFFAOYSA-N 412.876 6.475 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc2c1 587062179 DKHBVLMDYAZFGS-UHFFFAOYSA-N 411.288 5.914 0 1 HKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2ncc(Br)c(Cl)c2[nH]1 587066862 ULFVJRLQZIGGAF-UHFFFAOYSA-N 422.113 5.793 0 1 HKAF Clc1cc(Cl)cc(-c2cncc(-c3nc4ccnc(Br)c4[nH]3)c2)c1 587068078 YCPCXNJBEHYLKV-UHFFFAOYSA-N 420.097 5.756 0 1 HKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587069415 KCPOZHMKDFBTPB-ZDUSSCGKSA-N 404.901 5.424 0 1 HKAF N[C@H](N=O)c1ccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2c1 587140611 DNCWETKGGTYGLV-HXUWFJFHSA-N 410.449 5.524 0 1 HKAF CC(C)(C)c1ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c1 587182305 HJBFWHBMNVQVKA-UHFFFAOYSA-N 410.686 5.785 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cccc(OCc3ccccc3)c2[nH]1)C(C)(C)C 587203262 DSVLPMSWSCTUPG-FQEVSTJZSA-N 423.557 5.624 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587352382 JATTYUHYVBTKHT-IXCJQBJRSA-N 424.471 6.142 0 1 HKAF CC(C)=CCC/C(C)=C/CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352499 JSOKWGJKWZEZQW-DUTBZMJGSA-N 422.540 7.122 0 1 HKAF CC(C)=CCC/C(C)=C/CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352500 JSOKWGJKWZEZQW-FVBQZXKHSA-N 422.540 7.122 0 1 HKAF COc1cccc(-c2cc(-c3ccc(OC)c(Cl)c3)nc3c2oc2ccccc23)c1 587356990 CYCWOZKLBFTAJQ-UHFFFAOYSA-N 415.876 6.986 0 1 HKAF CC[C@]1(c2ccc3c(c2)CCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358587 PXPGIBQOLUHNFZ-UKILVPOCSA-N 404.437 5.131 0 1 HKAF C[C@@]1(c2cc3ccccc3s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587376971 ZIKYWFJIQLNCGC-UPVQGACJSA-N 404.462 6.020 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)c(OCc3ccccc3Cl)c(C)c1)O2 587377393 HIUPDMPBBVGRNE-HSZRJFAPSA-N 421.924 6.133 0 1 HKAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cccc(F)c1 587383507 CPHWQAIJKRNGDK-HSZRJFAPSA-N 421.468 5.401 0 1 HKAF COc1cc2c3c(c1)O[C@@](CC(C)C)(c1cccc(Br)c1)[C@@H](C2)C3=O 587420504 XQGNTSRQWOAZRW-UWJYYQICSA-N 401.300 5.147 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc(Cl)cc1Cl)CC2=O 587463100 TZZOQKLOVAYFDS-OAQYLSRUSA-N 422.308 5.404 0 1 HKAF Cc1c(-c2cccc(C(F)(F)F)c2F)[nH]c2c1c(Br)cc1n[nH]cc12 587622259 HGFSKSAKNANTKS-UHFFFAOYSA-N 412.184 5.940 0 1 HKAF CCOc1ccc(-c2nn(CCC3CCCCC3)c(=O)c3ccccc23)cc1OCC 587670388 WRYBPGBLARBATD-UHFFFAOYSA-N 420.553 5.831 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)cc2Cl)N1 587691695 CYDOTRJIJNYWEO-XLFHBGCDSA-N 403.122 5.693 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)cc(Cl)c2)N1 587696763 FDILXIRMGZLKEO-HUTHGQBESA-N 403.122 5.693 0 1 HKAF CC(C)[C@]1(CCc2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587697058 LFRVKQQFJZFUGZ-QKKBWIMNSA-N 424.785 6.260 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3Cl)o2)N1 587702502 ZVWSGKVHLFYZED-PRWKNARSSA-N 420.709 6.125 0 1 HKAF CC[C@@]1(c2cc(F)c(F)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587715652 IJFKFZXNICJIFS-YYSFKGJASA-N 402.229 5.193 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3)c(F)c2)N1 587724541 IXQATULCGNBFLA-MCMMXHMISA-N 414.293 6.018 0 1 HKAF COc1ccc2c(c1)CCCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587810214 SSMVTQPNXOLFDU-ZSEKCTLFSA-N 404.323 5.101 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3ccccc3)c2)N1 587812048 PBDLDHYMDWUANN-FPTDNZKUSA-N 412.302 6.004 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC2(O)CCCCC2)(C(C)(C)C)N1 587822514 OOYBSTMLNYSNKW-LHSJRXKWSA-N 412.387 5.449 0 1 HKAF Cc1c(Br)csc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587842125 DDKBFVADSNBMDK-NXSYQRQQSA-N 419.157 5.344 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc3ccccc3c2Cl)N1 587852594 HNUBHIQLHRRCAR-HUTHGQBESA-N 410.739 6.080 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3ccnc(Cl)c3)n2)cc1 587923378 NTCMFURNRNNUTJ-UHFFFAOYSA-N 405.885 6.813 0 1 HKAF CC(C)(C)c1ccc(-c2cc(O)n(-c3c(N)cccc3Br)c2O)cc1 587935518 BLHCRQKTOZZKGJ-UHFFFAOYSA-N 401.304 5.198 0 1 HKAF CC(C)c1cc(OC(C)(C)C)n(C[C@H](c2cccc(Br)c2)N(C)C)c1O 587941108 RNACQIYCDNWDAD-GOSISDBHSA-N 423.395 5.560 0 1 HKAF Cc1cc(OCCn2c(O)ccc2OCCc2ccccc2)c(C(C)C)cc1Cl 587943170 OWRZVYMCYWOXME-UHFFFAOYSA-N 413.945 5.979 0 1 HKAF CC[C@@H](c1ccc(-c2nc3ccccc3s2)cc1)c1nnnn1Cc1cccs1 653792963 HBWYQSFAKUCGPU-SFHVURJKSA-N 417.563 5.602 0 1 HKAF Clc1ccc([C@]2(Cc3ccncc3)NCCc3cccc(-c4ccccc4)c32)cc1 962664145 FSXQYCRPVZWRBZ-MHZLTWQESA-N 410.948 6.034 0 1 HKAF CCOC(=O)CCC[C@@]1(c2cc(F)cc(F)c2)c2c(F)cccc2C[C@@H]2CCCN21 963098557 IKRIWXCEGARRGL-GBXCKJPGSA-N 417.471 5.101 0 1 HKAF Cc1ccc([C@]2(CCc3ccccc3C)NCCc3c(Cl)cc(Cl)cc32)c(C)c1 963103747 GNQWEOYMKDDMIC-SANMLTNESA-N 424.415 6.941 0 1 HKAF Cc1ccc(Sc2ccc([C@@]3(C)c4c(F)cccc4C[C@H]4CCCN43)cc2)cc1 963106102 QPXDGBVXXCNIPM-RLWLMLJZSA-N 403.566 6.569 0 1 HKAF CC(C)(C)OC(=O)Nc1nc(Cl)c([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)s1 963106159 QVKFXRMKGQCWNP-SWLSCSKDSA-N 423.941 5.393 0 1 HKAF C[C@H](CCc1ccccc1)[C@@H]1N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963171780 BYOOMKIASSNCDI-GFJSAUFNSA-N 411.851 5.268 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@H]1c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2 963230773 AIVRKCAHCHQFCY-KBMIEXCESA-N 420.597 6.120 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccccc1Sc1ccc(Cl)cc1 963245120 ZMLVGHIAXDRUBF-AVRWGWEMSA-N 408.010 7.237 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@H]2[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2)C1 963269906 MIYGIVFYXLPCGG-SZNDQCEHSA-N 424.894 5.471 0 1 HKAF COc1cc2c(c3c1C(=O)C[C@H](c1ccc(O)cc1)O3)C=C[C@@](C)(CCC=C(C)C)O2 1857546563 PVXFFZCURJBGCG-QFQXNSOFSA-N 420.505 6.018 0 1 HKAF Cc1cc(Cl)cc2c1N[C@H](c1c[nH]nc1-c1ccc(-c3ccccc3)cc1)NC2=O 1857750011 MCZZWDOZYKFILK-QHCPKHFHSA-N 414.896 5.560 0 1 HKAF COc1ccc2c(c1)[C@H](c1ccc(SC)cc1)C1=C(O2)c2ccccc2OC1(C)C 1857753660 NJAHTTAEJOFKKZ-QHCPKHFHSA-N 416.542 6.524 0 1 HKAF CCCC[C@@H](NC(=O)c1cccc(C(F)(F)F)c1Cl)C12CCC(CC1)CN2C 1857757282 BKHAUGNLWSVPGW-GBXVCHKXSA-N 416.915 5.522 0 1 HKAF COCc1ccc(CNC(=O)c2sc(Br)c3c2CCC(C)(C)C3)cc1 1857759915 LAYLVIDKHAQDFA-UHFFFAOYSA-N 422.388 5.102 0 1 HKAF Brc1cc2nc(-c3ccco3)c(-c3ccco3)nc2cc1-c1ccncc1 1857772085 CMBTWGZXNUIQLX-UHFFFAOYSA-N 418.250 5.974 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356598481 RGTQAAUWMDYDPJ-CWPCPFELSA-N 412.702 7.657 0 1 HKAF CC(C[C@@H](C)[C@@H](C)C(C)C)=C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356609351 WSMAULFAXOAWSD-RFKKLQBISA-N 412.702 7.945 0 1 HKAF CCCCCC=CCC=CCCCCCCCC(=O)OCC=Cc1ccc(O)cc1 2356613322 HGWQWDQGDCAJEH-UHFFFAOYSA-N 412.614 7.762 0 1 HKAF COc1c(O)c(C)c(CC=C(C)CCC=C(C)CC(C)=CCc2ccccc2)oc1=O 2356720148 RVGXYJCOGNMRGK-UHFFFAOYSA-N 422.565 6.457 0 1 HKAF O=C(O)c1cncc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 1493950 ONFDZOUFCUXZFV-UHFFFAOYSA-N 421.905 6.408 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1ccc(Cl)c(C)c1)Oc1ccc(F)cc1-3 2003450 NPDSJEIIHNPHHF-RUZDIDTESA-N 419.927 7.544 0 1 HKAF O=C(OC1CCCCC1)c1cc(NC(=S)c2ccccc2Cl)ccc1Cl 13474510 WYGWAASOIXQQJK-UHFFFAOYSA-N 408.350 6.271 0 1 HKAF CCC[C@@H](C1CC1)n1c(CC)nc2c1C(=O)N(C)CN2c1ccc(Cl)cc1Cl 13582811 HPYQQBOLIOXGBO-INIZCTEOSA-N 421.372 5.685 0 1 HKAF O=c1ncn2nc(Sc3ccc(F)cc3)ccc2c1-c1c(Cl)cccc1Cl 13864337 XESVXURLFDSJCA-UHFFFAOYSA-N 418.280 5.354 0 1 HKAF Oc1cc2cc(c1)Oc1c(O)cc(cc1O)CCCCCCC/C=C/CCCCC2 14687509 LWPGCSYZHNHGJW-HNQUOIGGSA-N 410.554 7.152 0 1 HKAF C[C@@H](NC[C@@H](Cc1ccccc1)NCc1ccc(F)cc1)c1cccc2ccccc12 26995552 NROYBARDVSLPQI-QFQXNSOFSA-N 412.552 6.031 0 1 HKAF FC(F)(F)c1cc(CNCC2(c3ccccc3)CCNCC2)cc(C(F)(F)F)c1 27523318 IPWMVUCHZLFYDN-UHFFFAOYSA-N 416.409 5.135 0 1 HKAF CCS[C@]1(SC)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 27552910 DXEXNWDGDYUITL-BHMKJSQQSA-N 410.620 5.170 0 1 HKAF biogenic,world Nc1sc2c(c1C(=O)c1ccc3ccccc3c1)CCN(Cc1ccc(F)cc1)C2 27881871 CVEMARDQMBVTRS-UHFFFAOYSA-N 416.521 5.412 0 1 HKAF Cc1cccnc1-c1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(=N)s1 29466343 YUUPKRFBAZVDRO-UHFFFAOYSA-N 405.232 5.109 0 1 HKAF CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 34230894 RZPAXNJLEKLXNO-LKXRKQIUSA-N 402.663 6.360 0 1 HKAF CCn1cc(C(=O)Nc2ccc(F)c(Cl)c2)c(=O)c2ccc(C(F)(F)F)cc21 43070230 IXNVKBJEQWXTGZ-UHFFFAOYSA-N 412.770 5.085 0 1 HKAF O=C(/C=C/c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1)NCc1cccc(F)c1 45189492 ACBQWMRXGLCZEC-IZZDOVSWSA-N 405.860 5.352 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4ccc(NC(=O)[C@H](C)CN(C)C)cc4)s3)nc12 45226700 URBOKVIHXDLFJL-MRXNPFEDSA-N 418.566 5.403 0 1 HKAF O=C(Nc1ccc(O[C@@H]2CCN(Cc3ccccc3)C2)c(Cl)c1)c1ccc(F)cc1 45324890 CIDXGUIQKFVHGX-OAQYLSRUSA-N 424.903 5.385 0 1 HKAF O=C(CCc1ccccc1)N1CCc2c([nH]c3ccccc23)[C@H]1COCc1ccccc1 45353965 ZQCYEZONNMEERB-AREMUKBSSA-N 424.544 5.443 0 1 HKAF COc1ccc(Cn2c([C@@H]3CCCN(C4CCCCC4)C3)nc3ccccc32)cc1 49070558 YLEDBIZRBVHBJQ-OAQYLSRUSA-N 403.570 5.605 0 1 HKAF COc1ccc(F)c(-c2c[nH]c(-c3cccc(CN4CCC(F)(F)CC4)c3)n2)c1 66259258 LLCQMLXZDRRZIF-UHFFFAOYSA-N 401.432 5.123 0 1 HKAF Cc1cc(NC(=O)Nc2ccc(N(C)CCCc3ccccc3)cc2)c2ccccc2n1 71341727 WXEFZSABKVSAKN-UHFFFAOYSA-N 424.548 6.256 0 1 HKAF O[C@](c1ccc(Br)cc1)(c1ccc(C(F)(F)F)cc1)c1cccnc1 72100844 ZGOBARMXVAVOQL-SFHVURJKSA-N 408.217 5.147 0 1 HKAF O=C1c2cc(N3CCCCC3)ccc2N[C@@H](Cc2ccccc2)N1c1cccc(O)c1 72113808 WKYJMWZOFLMOGO-RUZDIDTESA-N 413.521 5.024 0 1 HKAF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc(F)cc2)C1 82140467 HLAFSUXPFQHCSP-IAGOWNOFSA-N 410.537 5.145 0 1 HKAF Cc1cccc(-c2nc(NCC3CCCCC3)ncc2-c2nc3ccccc3s2)c1 82219869 IMHIMDHDUQSXKW-UHFFFAOYSA-N 414.578 6.721 0 1 HKAF CC(C)(C)c1ccc(-n2c(-c3cccnc3N)nc3cc(Br)cnc32)cc1 95579128 GDRYZRYNVBNEFY-UHFFFAOYSA-N 422.330 5.125 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1 98176759 ALXXSSTULXRROK-HXUWFJFHSA-N 415.489 5.857 0 1 HKAF FC(F)(F)Oc1ccc(Nc2nc(-c3c(Cl)cccc3Cl)cs2)cc1 103277619 IHFWUEQXULWHJE-UHFFFAOYSA-N 405.228 6.759 0 1 HKAF CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(OC(C)C)cc1 104690621 ZSRKLDNJDGKBJY-RUZDIDTESA-N 418.537 6.286 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](O)CO 165515622 JWPHORDRFVRZPP-DOYOFOADSA-N 402.575 5.361 0 1 HKAF Cc1cc(C)c2nc(Nc3ccc(Cl)cc3)cc([C@@H](O)C[C@@H]3CCCCN3)c2c1 169334710 XIFOSPUAUSCZBL-UGKGYDQZSA-N 409.961 5.814 0 1 HKAF CCO[C@H](CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cccc3C)c2)nc1 169349569 LVYLRAFWECKTKT-JOCHJYFZSA-N 405.494 5.497 0 1 HKAF COc1cccc2c(NCc3ccccc3)nc(-n3c(OC)cc4ccccc43)nc12 219003517 LWZBQYKZUQLPFN-UHFFFAOYSA-N 410.477 5.203 0 1 HKAF CC(C)=CC(=O)O[C@H]1C=C2C(=O)O[C@@H](c3ccoc3)C[C@@H]2[C@@]2(C)CCCC(C)(C)[C@@H]12 238738070 CSCPSRSJYZJSKL-WVWXBDJASA-N 412.526 5.534 0 1 HKAF CC(C)=CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)O[C@](C)(CC(=O)O)CC[C@H]12 238745851 MQNLMSGAJIBXDL-LAXOWTJVSA-N 420.590 5.521 0 1 HKAF CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@H]4CC[C@@H]3C1(C)C 255259455 PLKVWYPBRRRIQG-MHVYXPFXSA-N 400.695 5.964 0 1 HKAF O=C(O)C[C@H]1CC[C@H](c2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2)CC1 261110723 HYKWTHIUHHHQTM-WKILWMFISA-N 421.522 5.206 0 1 HKAF Clc1ccc(-c2nc3ccc(Nc4ncnc5ccccc45)cc3[nH]2)cc1Cl 299829043 KLXHHAKVXAIRBI-UHFFFAOYSA-N 406.276 6.224 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C 503932932 ORLULZQEXHRVDY-HDOSDTMJSA-N 412.702 7.945 0 1 HKAF biogenic Cc1cc(Cc2nc3c(Cl)c(Br)cnc3[nH]2)ccc1Br 586975417 CJDDGFXOFVAFJN-UHFFFAOYSA-N 415.516 5.036 0 1 HKAF Cc1cc(Cl)cc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c12 586982632 MXTRAMIIRJQDEX-OAHLLOKOSA-N 405.767 6.660 0 1 HKAF COc1ccc2oc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c(C)c2c1 586990438 FLTDBJXPRQSDDC-UHFFFAOYSA-N 407.425 5.882 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3cccc(OCc4csc(C)n4)c3)nc2c1 587020373 PVUVQTVNWJMPCX-UHFFFAOYSA-N 414.328 5.645 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Cl)cc(F)c3[nH]1)N2 587031287 MRNCLZAKORXKOJ-JHFYRWCBSA-N 422.938 5.482 0 1 HKAF FC(F)(F)Oc1cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2cc1Cl 587032398 JNIRUJPCLDJATH-UHFFFAOYSA-N 423.847 6.123 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(-c4cc(Cl)c(O)c(OC)c4)[nH]c3c2)cc1 587046629 YUGUEBHHJAAWFY-UHFFFAOYSA-N 424.840 5.176 0 1 HKAF Fc1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1Br 587083180 JGCCQWRUDOBVSL-UHFFFAOYSA-N 411.061 5.987 0 1 HKAF CC(C)Oc1cc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2cc1Br 587096892 DIPYEVFSCDYDRM-UHFFFAOYSA-N 417.200 5.938 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(Br)cc3O)nc3cccc1c23 587101536 HPFKEMCEDYRTHI-UHFFFAOYSA-N 402.247 5.581 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 587159214 NAVASSAPLGIGFK-UHFFFAOYSA-N 416.374 5.867 0 1 HKAF O=C(O)c1cccc(COc2ccc(CCc3cc4c5c(cccc5n3)CC4)cc2)c1 587214898 WUVFQVUARLKJNX-UHFFFAOYSA-N 409.485 5.396 0 1 HKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(Br)nc2[nH]1 587247165 IQDNVUNVQNJNDF-UHFFFAOYSA-N 409.287 5.135 0 1 HKAF O=C1c2ccc(O)cc2OC2(CC(c3cccc(Cl)c3)C2)[C@H]1c1ccc(F)cc1 587326268 BNWWIUDHUDNRNR-DXJIIWSXSA-N 408.856 5.860 0 1 HKAF CC[C@H](C)c1ccc([C@]2(CC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587358429 XYUNWOISXKJXLC-ZUIZJCIVSA-N 418.508 6.709 0 1 HKAF CC[C@@]1(c2ccc3c(c2)CCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358589 PXPGIBQOLUHNFZ-ZCYQVOJMSA-N 404.437 5.131 0 1 HKAF COC(=O)[C@@H]1CCCCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587362642 LMXFUEJOMHXTLD-LJQANCHMSA-N 401.462 5.640 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccc(C(F)(F)F)c1F)O2 587381467 JIPCOTJSQADVQV-QFIPXVFZSA-N 415.386 5.644 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)ccc(C(F)(F)F)c1F)O2 587383342 WGCSLHDZXYWTHO-ZDUSSCGKSA-N 418.184 5.204 0 1 HKAF CC(=O)N(c1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1)c1c(C)cccc1C 587413820 PIYUTZRLSVZEQD-FQEVSTJZSA-N 421.522 5.042 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1OCc1ccccc1)[C@@H](C2)C3=O 587421587 URQSPAGESMOZRF-YADARESESA-N 406.865 5.416 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1cccc(SC)c1)(c1cc(F)ccc1F)[C@@H](C2)C3=O 587424821 VSSIJGVEHXICDP-CYFREDJKSA-N 424.468 5.387 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1ccc(OC)cc1)CC2=O 587466252 JXRWSPYISQJYNX-RUZDIDTESA-N 406.453 5.401 0 1 HKAF CCCCC[C@@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577207 JQYHWQBTPVQRCG-DHLKQENFSA-N 403.478 5.412 0 1 HKAF CC[C@@H]1c2cc(OC)ccc2CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587600327 NWWALJCSQPKNTD-WIOYSNFSSA-N 416.473 5.241 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2)s1 587616049 YTEMTSWJPPFUBC-QPPBQGQZSA-N 400.455 5.824 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)Nc1ccc(Cl)cn1 587625108 BVCUIFSYSNKCRN-UHFFFAOYSA-N 421.728 5.815 0 1 HKAF Cc1ccc(-c2[nH]c3cc(F)ccc3c2[C@H](C(=O)O)c2cn(C)c3ccccc23)cc1 587635511 JBGDEHMDKILPGJ-XMMPIXPASA-N 412.464 5.991 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(OC)ccc3OC)c(C(=O)C(F)(F)F)c2c1 587639844 DUZXZXPEZKNBFZ-LBPRGKRZSA-N 405.416 6.111 0 1 HKAF Cc1ccc(Br)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587678540 OAIXQOXQOWKOHB-BMLIUANNSA-N 413.128 5.283 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCCCF)cc2)N1 587717737 MHHAKQZJZCXZQJ-RBZFPXEDSA-N 410.302 5.124 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC(F)(F)F)c2F)N1 587722228 RVRFQWMVSOZRHM-BCTVWOGZSA-N 422.191 5.250 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCC(=O)Cc2ccc(F)cc2)N1 587733451 LMGJOSQSNZTJED-ORAYPTAESA-N 422.313 5.285 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccnc1 587754297 XXBHLTXMBNNJBP-LAJNKCICSA-N 414.322 5.014 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(N3CCCCC3)c2)N1 587766342 NDXMJWSVZIYQAN-QKKBWIMNSA-N 403.339 5.202 0 1 HKAF CC1=C(/C=C\[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)CCC1 587816092 UBLPQJQPTHDFLX-NLOFEFHZSA-N 406.383 6.420 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccccc1Oc1ccccc12 587841318 MRHFFOUBPPLCRY-CYBMUJFWSA-N 410.286 5.520 0 1 HKAF COc1ccc2c(c1)[C@]1(CCCS2)N[C@H](C)Cc2ccc(F)c(Br)c21 587854312 DGJUQUGBQKBGDG-ODXCJYRJSA-N 422.363 5.261 0 1 HKAF COc1ccc2c(=O)c(C)c(-c3cncc(-c4ccc(Cl)c(Cl)c4)c3)[nH]c2c1 653784815 MZFUHPHSXBFOBZ-UHFFFAOYSA-N 411.288 5.881 0 1 HKAF COc1ccc2c(c1)[C@@H](c1c(C)nn(-c3cccc(C)c3)c1Cl)N(C(C)C)CC2 962092969 RPMXZJSKPORFJP-QHCPKHFHSA-N 409.961 5.507 0 1 HKAF COc1cc2c(cc1OC)[C@@H](c1cc(Cl)cc(Cl)c1Cl)N(C)[C@H](C)C2 962629482 HTUAZFKCFJNAQU-DGIBIBHMSA-N 400.733 5.630 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(C)cc2)(c2ccc(Cl)nc2)N1 962958273 PLWGVHZMJYGEGQ-DFBJGRDBSA-N 401.941 5.741 0 1 HKAF Cc1cccc(CC[C@@]2(c3ccc(C)cc3C)c3c(F)cccc3C[C@@H]3CCCN32)c1 963104228 HVIFALVDWNGWHH-ABYGYWHVSA-N 413.580 6.648 0 1 HKAF Cc1cccc(C)c1CC[C@@]1(c2cccc(F)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963109802 MJBQKJCRKHGYAK-LBNVMWSVSA-N 417.543 6.479 0 1 HKAF Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)Nc1ccccc1OC(F)(F)F 1772605781 CPNAUNKKPULUMJ-UHFFFAOYSA-N 422.406 6.361 0 1 HKAF COc1ccc(-c2cc(Cl)cc([C@H](CC(=O)O)c3ncc(C)s3)c2)c(F)c1 1772653298 RWCSCUDSOCGQIR-KRWDZBQOSA-N 405.878 5.526 0 1 HKAF COc1ccc(OC)c(-c2cc(Cl)cc([C@H](CC(=O)O)c3ncc(C)s3)c2)c1 1772655834 NEVKJTCNYPFBNM-SFHVURJKSA-N 417.914 5.396 0 1 HKAF CCCOc1ccc(-c2cc(OCCN(CC)CC)c3ccc(OC)cc3n2)cc1 1857629178 MGSCFPDGTQAGJG-UHFFFAOYSA-N 408.542 5.420 0 1 HKAF CC(C)CCCCN1C(=S)N(CCCC[C@H]2CN=C(CC3CCCC3)N2)C[C@H]1C 1857649142 SOCIEYGYKILJJT-IRLDBZIGSA-N 420.711 5.225 0 1 HKAF COc1cc(CNC(=O)c2ccc3c(c2)[nH]c2ccccc23)cnc1-c1ccnc(C)c1 1857759711 BLLKBDFOLOWWEK-UHFFFAOYSA-N 422.488 5.025 0 1 HKAF FC(F)(F)Oc1ccc(Oc2ccc(CN3CCC4(CCCCC4)CC3)cc2)cc1 1857766193 NSWANZUVNOOUHQ-UHFFFAOYSA-N 419.487 6.924 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(O)[C@@H]3CC[C@@]12C)C(C)C 2356407297 AHUTWGJMURDYJF-ADMGTCOXSA-N 416.690 6.750 0 1 HKAF CC(=O)OCC1=CCC[C@@H]2[C@]1(COC(C)=O)CC[C@@H](C)[C@@]2(C)CCc1ccoc1 2356610481 MFHNNINMNRCKKL-GMWXCSQMSA-N 402.531 5.097 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2C(=CCO)[C@H]([C@]3(C)CC[C@H](O)C[C@@H]3O)CC[C@]21C 2356793153 KGIPQHXEDZVYGK-RXGBDUERSA-N 418.662 5.498 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CC[C@]1(C)[C@@H](C)CC=C2C(C)=CCC[C@H]21 2356842142 MLECYASLDLXTON-PIBDYAPNSA-N 407.606 5.328 0 1 HKAF COc1ccc(-c2nc3cnc(Nc4ccc(F)c(Cl)c4)cc3n2C)cc1OC 82082845 YGXLHHVNXZOMAW-UHFFFAOYSA-N 412.852 5.189 0 3 HKAF Cc1cc(Br)cn2c(Cc3cccc(F)c3)c(-c3ccc(F)cc3)nc12 95566267 XCTWNUDQPHEKQG-UHFFFAOYSA-N 413.265 5.941 0 3 HKAF CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214102 LREMEYPTUKLECW-KAMZKSLDSA-N 414.590 5.244 0 1 HKAF COc1ccc(CN[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 5070864 ATYHKHNRBNWDKT-QHCPKHFHSA-N 422.569 5.150 0 1 HKAF CCCC(CCC)N1CCc2cn(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c23 13645734 WXQAPJJATKTFGT-UHFFFAOYSA-N 416.396 6.972 0 1 HKAF CC[C@H](C)CCCCCCCCCCCCc1cc(O)cc(OS(=O)(=O)O)c1 14592800 RWDARASLUJPOMS-IBGZPJMESA-N 414.608 6.454 0 1 HKAF biogenic CC(C)=CC[C@@H]1Cc2c(cc3c(c2O)C(=O)C[C@H](c2c(O)cccc2O)O3)OC1(C)C 14829221 MSWKDNVOKYRGEP-JLTOFOAXSA-N 424.493 5.196 0 1 HKAF biogenic COc1ccc(CN[C@@H](CN[C@H](C)c2cccc3ccccc23)Cc2ccccc2)cc1 26995586 ZGTKYTKCGFIPOM-ATIYNZHBSA-N 424.588 5.900 0 1 HKAF c1ccc(CN2C[C@@H](CNCCCc3c[nH]c4ccccc34)Oc3ccccc32)cc1 28570650 WQZDAFQSPAHESA-HSZRJFAPSA-N 411.549 5.158 0 1 HKAF CC(C)(c1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2)cc1)C(F)(F)F 28824078 PPRDWOQUPQZMNO-UHFFFAOYSA-N 418.846 6.494 0 1 HKAF COc1cccc(-c2nc(CCOc3ccc4c(c3)CC[C@H]4CC(=O)O)c(C)s2)c1 28951973 KFYKKFAJLZQOQO-KRWDZBQOSA-N 423.534 5.253 0 1 HKAF O=C(c1cccc(COc2c(Cl)cccc2Cl)n1)N1CCC[C@H]2CCCC[C@@H]21 29049336 YEAFQKGRTAFYMI-QRWLVFNGSA-N 419.352 5.762 0 1 HKAF CN1CCC[C@H]1CCNc1nc(Nc2ccc(Cl)c(Cl)c2)c2ccccc2n1 29203678 NBXHVAKGYIPQMA-HNNXBMFYSA-N 416.356 5.576 0 1 HKAF COc1cccc(OC)c1C(=O)Nc1nnc(-c2ccc(-c3ccccc3)cc2)s1 39329407 AJPJPVIPTQYYDT-UHFFFAOYSA-N 417.490 5.142 0 1 HKAF C1=C(c2ccc(CCN3CCc4ccccc43)cc2)[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 40631376 WWQFGJHILWPTGQ-LMSSTIIKSA-N 420.600 5.827 0 1 HKAF Cc1cc(CNCCCCCCNCc2ccc(-c3ccccc3)cc2)ccc1O 45303028 JLNUHRAPNNAMPY-UHFFFAOYSA-N 402.582 5.807 0 1 HKAF COc1ccc(CNCc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1 53298653 LTWWRTSVLYUXQT-UHFFFAOYSA-N 407.510 5.051 0 1 HKAF CCCC[C@H](CC)OC(=O)[C@@H]1CCC[C@H](NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 59894603 DHMWTPQCLPNDHA-UVXXVSBLSA-N 418.622 5.325 0 1 HKAF CCOC(=O)Cc1cc(OCc2ccccc2)cc(-c2ccc(C(F)(F)F)cc2)c1 64624676 BXQYJDWWXUUYCC-UHFFFAOYSA-N 414.423 6.057 0 1 HKAF in-vitro COc1cccc(Oc2c(Cl)cnn(C3c4ccccc4-c4ccccc43)c2=O)c1 73370875 FWLUJCVYRYRKLE-UHFFFAOYSA-N 416.864 5.316 0 1 HKAF CC[C@@H](C)Nc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccc(F)cc2)n1 82141701 XEZSDZCMJQASOI-GOSISDBHSA-N 420.532 5.544 0 1 HKAF C[C@H]1C[C@@H](C)CN(c2ncc(-c3nc4ccccc4s3)c(-c3ccccc3F)n2)C1 82175764 HVMVWXFZUOBERI-IYBDPMFKSA-N 418.541 6.042 0 1 HKAF NC(=O)c1ccccc1Nc1cccc(OCCc2ccc(C(F)(F)F)cc2)c1 95572361 FGPQOCSYDJFHFX-UHFFFAOYSA-N 400.400 5.169 0 1 HKAF C[C@H]1CCC([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)=NC1 95876635 HFOSABNORYNULM-JSALYLKVSA-N 415.662 5.484 0 1 HKAF C[C@](O)(CCCCCCCCCCCCc1ccccc1)C[C@@]1(C)OC(=O)C[C@H]1O 96086030 APUHCCTYZGXKTG-DMTNHVFBSA-N 418.618 5.728 0 1 HKAF in-vitro Cc1cccc(-c2nnc(S)n2-c2ccc3c(Cl)c(C(=O)O)sc3c2)c1 96273186 NITSDZNVWZTYLW-UHFFFAOYSA-N 401.900 5.098 0 1 HKAF Cc1c(COc2cccc(F)c2F)oc2cccc(OCCNCc3cccnc3)c12 98084820 XZUFKTOBIKKVGZ-UHFFFAOYSA-N 424.447 5.162 0 1 HKAF O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCCc2cccnc2)cc1 141128357 QDIHCKDMTZABNW-UHFFFAOYSA-N 423.516 5.039 0 1 HKAF CC(C)=CCC/C(C)=C\Cc1c(O)cc2c(c1O)C(=O)C[C@H](c1ccc(O)cc1)O2 141911404 XYIQIBWIEGCVQY-FYALHBODSA-N 408.494 5.745 0 1 HKAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccccc3)cc2)n1 142057862 RAJZEQSIULHTBW-LAUBAEHRSA-N 402.498 5.298 0 1 HKAF COc1ccc2oc(-c3ccccc3)cc2c1CN1CCC(N2CCCCC2)CC1 144293104 QXTIVRXUBORUPS-UHFFFAOYSA-N 404.554 5.559 0 1 HKAF COc1ccc(-c2c(S(=O)(=O)c3cccc(F)c3)cnc3cc(F)ccc23)cc1 145358340 RIVXFXXWHNRCIL-UHFFFAOYSA-N 411.429 5.021 0 1 HKAF c1ccc(-c2csc3nccc(N4CCC(COCCN5CCCC5)CC4)c23)cc1 146450530 VJSWQCFTSIMJFK-UHFFFAOYSA-N 421.610 5.292 0 1 HKAF O=C(OC[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccs1)c1ccc2ccccc2c1 169359631 HKCXATAGMOKJIB-SCKNGNBOSA-N 415.558 5.624 0 1 HKAF CC1CCN(c2c(S(=O)(=O)c3ccc(F)cc3)cnc3ccc(Cl)cc23)CC1 201535967 BGRGNPKMWJRTFC-UHFFFAOYSA-N 418.921 5.096 0 1 HKAF CC(C)c1ccc(-c2ccc3c4[nH]ncc4c(=O)n(CC(F)(F)F)c3c2)c(Cl)n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c1cc(/C=C/c2cccc3c2ccn3CCCCn2ccnc2)cc(OC)c1 299833750 ILIVVUDENIQBQC-CMDGGOBGSA-N 401.510 5.506 0 1 HKAF Cc1ccc(-n2cnnc2SCc2nc3cc(Cl)cc(F)c3[nH]2)cc1Cl 586967888 HPBYRUUECGAXTD-UHFFFAOYSA-N 408.289 5.190 0 1 HKAF COc1cc(OC)c2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2c1 586975007 IOBLAKXLMSVELQ-UHFFFAOYSA-N 402.075 5.316 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c(-c3ccnc(Cl)c3Br)nc2c1 586978980 DQORKIRUMHSHKU-UHFFFAOYSA-N 411.008 5.713 0 1 HKAF CC(C)CCOc1ccc(Br)cc1-c1nc2cc(F)c(F)c(F)c2[nH]1 586982168 TURBRYQDZUAHAI-UHFFFAOYSA-N 413.237 5.835 0 1 HKAF Cc1c(F)ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c12 586998332 JIWXTLVDZZVXBL-UHFFFAOYSA-N 411.274 6.019 0 1 HKAF Clc1cccnc1-c1nc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cs1 587017214 IENVRFHYRVLLIP-UHFFFAOYSA-N 404.882 6.194 0 1 HKAF COc1cc2nc(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2cc1F 587046527 IIDJABFPZNKZGN-WAYWQWQTSA-N 404.869 5.578 0 1 HKAF COc1cnc(-c2nc3cc(Br)c(OCC(C)C)cc3[nH]2)cc1Cl 587064414 JYZHQSQHJVMSKN-UHFFFAOYSA-N 410.699 5.084 0 1 HKAF CCCOc1cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2cc1Br 587084580 CRONHYUDOITJET-UHFFFAOYSA-N 416.706 5.983 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc5c(c4)-c4ccccc4C5)nc13)-c1ccccc1C2=O 587099652 QSTXWFDZYREPLC-UHFFFAOYSA-N 409.488 6.993 0 1 HKAF N[C@H](N=O)c1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587111728 RGURHEQIHREICE-MRXNPFEDSA-N 416.325 5.109 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(Br)sc1CC3 587208051 KNKLRDUWOUUGEU-UHFFFAOYSA-N 418.315 6.036 0 1 HKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(Br)nc3[nH]2)c1 587239366 WOXGPYBZHRRBPH-UHFFFAOYSA-N 408.303 5.330 0 1 HKAF C[C@]1(c2cccc3c2CCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348819 AULYWXOHKHHWKN-AZGAKELHSA-N 402.465 5.684 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCc3sc(Cl)cc32)[C@H]1c1ccc(F)cc1 587371493 FAHNLMSSKONTHO-PZJWPPBQSA-N 400.858 5.447 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Cc4ccc(C(C)=O)cc4)cc1)[C@@H](C2)C3=O 587446005 RBOIHXSZPMWGEA-WNCULLNHSA-N 412.485 5.151 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC3CCCCC3)c(F)c1)CC2=O 587465090 ANXPOHYXOFQKBD-VWLOTQADSA-N 412.501 6.076 0 1 HKAF O=C1C[C@@]2(CCCOc3cc(Br)ccc32)Oc2c1ccc1c2CCCC1 587499307 SGUGAYWOEASTIQ-JOCHJYFZSA-N 413.311 5.361 0 1 HKAF COc1ccc(OCc2ccccn2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587515263 MTZMDKHPHHALOO-RUZDIDTESA-N 415.489 5.255 0 1 HKAF CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC=C(C)C 587527631 YLBCKOREFPDXKB-XMMPIXPASA-N 406.522 6.016 0 1 HKAF Cc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587575917 GXVMMLYJWJKLBG-BVAGGSTKSA-N 411.457 5.503 0 1 HKAF Cc1cccc2c3c([nH]c12)[C@@]1(CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590618 SWFVOVZGHVREIX-LVXARBLLSA-N 411.457 5.375 0 1 HKAF C[C@]1(c2ccc(C3CCCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601419 FXAOUTAQOFCCOP-RPLLCQBOSA-N 414.501 6.317 0 1 HKAF CC(C)c1ccc([C@@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3cc(F)ccc23)cc1 587632912 NOUZHCBXKYHAGS-JOCHJYFZSA-N 421.899 6.967 0 1 HKAF Cc1ccc(Br)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587676815 FWUXIUSRLRACFX-BMLIUANNSA-N 413.128 5.283 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)cccc2Cl)N1 587691602 GYWBPOYEFZZFCF-VVVCHXIZSA-N 403.122 5.693 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Cl)c2F)(C2CC2)N1 587725049 BLRYSMFNYKENEX-DGIBIBHMSA-N 412.705 5.569 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccs3)cc2F)N1 587726075 UEZOIYQTEFKLOY-GIPWTMENSA-N 420.322 6.079 0 1 HKAF CCOC(=O)Cc1ccc2nc(-c3cccc(-c4ccccc4OCC)c3)[nH]c2c1 587780146 LXEVVIOOLFWDKM-UHFFFAOYSA-N 400.478 5.401 0 1 HKAF Brc1cncc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587785239 ZFOCGGXEFHUJAX-FLIBITNWSA-N 406.283 5.470 0 1 HKAF CCCOc1c(OCC)cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587798849 ZRJHUQMVLIEZOM-ZUOKHONESA-N 422.338 5.399 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3cccc4c3c2CC4)N1 587815535 NLVXCHCXYBTYOI-ZAMGYDSWSA-N 410.330 5.638 0 1 HKAF CCc1cc(CC)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(CC)c1 587821737 XHAMBQLRFNMIBA-XMHCIUCPSA-N 404.367 5.899 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(Cl)c(C)c1 587861842 WRYZMTPBJASKGM-UHFFFAOYSA-N 424.806 5.259 0 1 HKAF CCCCOc1ccc(OCCCC)n1CCOc1cc(C)c(Cl)cc1C(C)C 587943024 IOOFTEIVLHGIQI-UHFFFAOYSA-N 422.009 7.010 0 1 HKAF COC(=O)c1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1OC 587951152 WXYXGAKSWFKXLG-QINSGFPZSA-N 400.434 5.321 0 1 HKAF Cc1ccccc1-c1ccc(Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 587959090 MBXFITDNXCLNSZ-UHFFFAOYSA-N 404.517 5.961 0 1 HKAF CC/C(=C/c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccc(C)cc1 587968427 SRVUOSLKEWAOKL-WQLSENKSSA-N 409.249 6.603 0 1 HKAF O=C(Nc1ccc(Oc2cc[nH]c3nccc2-3)c(F)c1)c1ccc(-c2ccccc2)cn1 653766287 GQKJSRKRMNVQSF-UHFFFAOYSA-N 424.435 5.760 0 1 HKAF Oc1nc2cnc3ccc(-c4cccnc4)cc3c2n1-c1cccc(C(F)(F)F)c1 653846202 GRYSDCMSXKRDHZ-UHFFFAOYSA-N 406.367 5.360 0 1 HKAF CC(=O)[C@@H](CC=C(C)C)/C(C)=C/COc1ccc(CCNC(=O)c2ccccc2)cc1 685935452 FGXBFPFGWRVMGG-RZYZEMQHSA-N 419.565 5.546 0 1 HKAF biogenic,in-vitro CCCCOc1ccc(F)c([C@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)c1F 962566896 JKBMKNMGRMJHJQ-RCDICMHDSA-N 405.485 5.127 0 1 HKAF CCCCc1n(Cc2ccc3ccccc3n2)cc[n+]1Cc1ccc2ccccc2c1 1772603513 PQLHHKVGDWJIPA-UHFFFAOYSA-N 406.553 5.916 0 1 HKAF CC1=C(CC(=O)NCCC(C)C)c2cc(F)ccc2/C1=C\c1nc2ccccc2s1 1772640729 VWEGRXUYYBLVHB-ZHZULCJRSA-N 420.553 6.316 0 1 HKAF Oc1ccccc1-c1cc(-c2cccc(C(F)(F)F)c2)nc2c1Cc1c(O)cccc1-2 1857562058 ZASKLWIOXSFVST-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1ccc2ccncc2c1 1857645455 VJULIXKPYBIXJW-XGIAQDQTSA-N 401.594 6.632 0 1 HKAF CN(C)Cc1ccc(-n2cc(-c3ccc4cc[nH]c4c3)c3c(Cl)ccnc32)cc1 1911582192 MEHXWAPPUMNIFQ-UHFFFAOYSA-N 400.913 5.889 0 1 HKAF CN(C)[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(c5cncc(Cl)c5)[C@@]4(C)CC[C@@H]32)C1 1911586193 ZLGOMJAYBOBMTQ-QHPHXHBYSA-N 413.049 6.701 0 1 HKAF COc1ccc(CC[C@@H]2C[C@@H](c3ccc(OC)cc3)Oc3cc(OC)ccc32)cc1 2356284354 YBTNREBQAFMKBX-NLFFAJNJSA-N 404.506 5.953 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCCC(C)(C)[C@H]1CC3 2356432052 OJTUSJZQVLETGQ-IEMCCXIWSA-N 410.730 9.508 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCC[C@]1(C)CCc2c(C=O)c(O)cc(C)c2O1 2356584884 VVUPQSRSJMZZQI-MUUNZHRXSA-N 424.625 7.796 0 1 HKAF C[C@H](C1=NC[C@](C)(O)CC1)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356648364 YCTLKNVWQFQYLE-LBLXTXLGSA-N 413.646 5.548 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc2c(c1O)C(=O)[C@@H](O)[C@@H](c1ccccc1)O2 2356661770 OKUXAUZJIPCHNX-JWQCQUIFSA-N 408.494 5.010 0 1 HKAF CC(=O)OC[C@H](O)COC(=O)C[C@H](C)CC[C@]1(C)C2=CCCC(C)(C)[C@H]2CC[C@H]1C 2356671430 ZDOKOBAWCCHHEY-BYEGSAJESA-N 422.606 5.059 0 1 HKAF CN(Cc1ccc(Cl)cc1)[C@@H](C(=O)NC1CCCCC1)c1ccnc2ccccc12 72142492 BJFLZOODJXDASJ-XMMPIXPASA-N 421.972 5.510 0 3 HKAF O=C(O)CCCC[C@H](CCSC(=O)c1ccccc1)SC(=O)c1ccccc1 3975417 XMMSQSYHYBHZGH-LJQANCHMSA-N 416.564 5.537 0 1 HKAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1Cc1cnn(-c3ccccc3)c1N2 5883693 FJUADJYJHHYVLD-QQINFNOISA-N 403.570 5.123 0 1 HKAF COc1ccccc1C1(CNC(=O)Nc2c(C(C)C)cccc2C(C)C)CCCC1 13736815 YDKORNUIFCZMAR-UHFFFAOYSA-N 408.586 6.576 0 1 HKAF O=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3ccncc3)cc1)n2C1CCCC1 28570952 KRXUXBXQLBDZGM-UHFFFAOYSA-N 413.477 5.491 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C[n+]1cn(C)c2ncnc(N)c21 28816711 QJNIEHPWOCESBT-MLAGYPMBSA-N 422.641 5.984 0 1 HKAF COc1ccc2cc(-c3nc(-c4ccccc4Cl)[nH]c3-c3ccncc3)ccc2c1 28824340 MXCQKVKYBUMFQZ-UHFFFAOYSA-N 411.892 6.621 0 1 HKAF COc1cc(-c2ccc(/C=C/C(=O)O)cc2)cc(C23CC4CC(CC(C4)C2)C3)c1OC 28825687 OAQNNMIOKYTUFV-VMPITWQZSA-N 418.533 5.936 0 1 HKAF CC(C)(C)c1ccc([C@H]2CC(=O)Oc3ccc4cc(Br)ccc4c32)cc1 29136072 CCLHVFIUHMVKDB-LJQANCHMSA-N 409.323 6.341 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C[C@@H]1C[C@H]3O 40164555 HHVQPBXBALLUDF-MUHZUVOISA-N 418.662 5.618 0 1 HKAF endogenous,in-man CCc1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CC[C@H]1CC(=O)O 40409432 SGOBSURTJPVFGZ-NSHDSACASA-N 421.349 6.019 0 1 HKAF CCCN1C=[N+](CCC)[C@@H](c2ccc(O)cc2Cl)[C@H]1c1ccc(O)cc1Cl 40737974 HPASZKRDXWRCPJ-OYRHEFFESA-O 408.349 5.363 0 1 HKAF C[C@@H]1CN(CC(F)(F)F)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl 40879381 IPLCYPLMPXYNAX-LLVKDONJSA-N 420.932 5.180 0 1 HKAF C[C@@H](Oc1ccc2ncc([C@H]3C[C@H]3C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl 45373215 QACCVOJRKKIYFM-VCTAVGKDSA-N 419.283 5.410 0 1 HKAF CC(C)(C)CC(C)(C)c1ccc(O[P@](=O)(O)[C@H](N)CCc2ccccc2)cc1 49069238 LHKYXTBYXFWYQW-NRFANRHFSA-N 403.503 5.882 0 1 HKAF Cn1c(-c2cn(C)c3cc(Br)ccc23)cnc1-c1cn(C)c2ccccc12 49803303 YRLAOYOTTFOXKQ-UHFFFAOYSA-N 419.326 5.500 0 1 HKAF O=C(CCc1ccc(F)cc1)c1ccccc1OC[C@@H](O)Cn1ccc2ccccc21 73159621 CBVRHLQJYHPHHW-QFIPXVFZSA-N 417.480 5.036 0 1 HKAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccccc1 82132284 FHCLEZOICRFFPD-GCJKJVERSA-N 406.574 5.444 0 1 HKAF O=C(Nc1ccc(-c2cccc3c(O)n[nH]c23)cc1)Nc1cccc(C(F)(F)F)c1 84655119 HGKLAQIUUAXZOK-UHFFFAOYSA-N 412.371 5.598 0 1 HKAF COc1ccc(-n2cnc3cc(N(Cc4ccc(C(C)C)cc4)C(C)=O)ccc32)cc1 95583158 XVVZOSKRTBLLBJ-UHFFFAOYSA-N 413.521 5.711 0 1 HKAF O=c1c(/C=C/[C@@H](O)c2ccc(F)cc2)coc2cccc(OCC3CCCCC3)c12 95598199 FYRVGWOXODMPCS-QGFLDLQWSA-N 408.469 5.638 0 1 HKAF CC/C(=C(\c1ccc(O)cc1)c1ccc(NC(=O)C(C)C)cc1)c1ccc(O)cc1 96907502 RULMQUWMVXMMMF-OCOZRVBESA-N 401.506 6.061 0 1 HKAF COc1ccc(OC)c([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccc4ncccc4c32)c1 104048895 ZEMDVGWEKWLPLL-XMMPIXPASA-N 414.505 6.102 0 1 HKAF CCc1cccc(Nc2nc3cc(Oc4ccnc(NC(C)=O)c4)ccc3n2C)c1 167748298 XWYAQRNOHRWIKN-UHFFFAOYSA-N 401.470 5.025 0 1 HKAF O[C@H](C[C@@H]1CCCCN1)c1cc(Nc2ccc(Cl)cc2)nc2ccc(Cl)cc12 169334723 MVBBSLWLXVZHCU-LAUBAEHRSA-N 416.352 5.851 0 1 HKAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(OC3CCCCC3)c2)n1 221305758 XGEARKOBQVTFDK-LAUBAEHRSA-N 424.545 5.342 0 1 HKAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(-c3ccc(F)cc3)n[nH]c2C1 225971273 BLUPWSDMEJAVTC-UHFFFAOYSA-N 423.797 5.087 0 1 HKAF c1ccc(C2=NN=C(c3ccccn3)[C@@H]3[C@H]4C[C@H]([C@H]5[C@H]4[C@H]4C[C@H]5c5ccccc54)[C@H]23)nc1 299809423 QAEQEAQDVFBXJR-WFIOCRBXSA-N 416.528 5.083 0 1 HKAF CC(C)COc1cc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c2cc1Br 586906757 QASMIJWTGPFXOJ-MFOYZWKCSA-N 413.271 5.029 0 1 HKAF Cc1nc(C(C)(C)C)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586993856 KCPVFZJRZIEEHT-UHFFFAOYSA-N 400.503 5.881 0 1 HKAF Cc1ccc(-c2nc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cs2)o1 587017040 RGJSBKRLCUXQHC-UHFFFAOYSA-N 414.515 6.532 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)c(F)cc3[nH]2)C[C@H]2CCCC[C@@H]21 587026876 MOWXQSKPVZXQRU-VMDGZTHMSA-N 417.937 5.492 0 1 HKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2c(Br)cnc(Cl)c2[nH]1 587065936 FTJMQXPRHRAABB-MRVPVSSYSA-N 401.091 5.476 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(Cl)cc4[nH]3)c(Cl)cc12 587077882 BNBDOQOEDIMAHY-NSHDSACASA-N 417.292 6.069 0 1 HKAF Cc1ccc2c(ccc3nc(-c4cc(-c5ccccc5)nc5c(Cl)cccc45)[nH]c32)n1 587082612 SQHQXRYRDGRXFU-UHFFFAOYSA-N 420.903 6.955 0 1 HKAF Cc1c(Br)cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1C 587092619 XJOMJRROZCORPF-UHFFFAOYSA-N 416.266 5.659 0 1 HKAF O=C1c2ccccc2-c2cc(CCc3ccc(OC(F)F)cc3)nc3cccc1c23 587103239 JDGPYESEMRQSCI-UHFFFAOYSA-N 401.412 5.833 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ncc(Br)cc3F)nc3cccc1c23 587103611 LUDMYNWLRZXKTA-UHFFFAOYSA-N 405.226 5.410 0 1 HKAF CC(C)c1ccc([C@@]2(O)CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)cc1 587207707 VOUXYWLGAWUGOQ-GDLZYMKVSA-N 419.524 5.946 0 1 HKAF C[C@]1(COc2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337017 UOKUKMWGVMYFNF-FYYLOGMGSA-N 414.379 5.006 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]3c2cccc(Cl)c2)c1 587358103 OVEMHBDWNLPSCE-HXUWFJFHSA-N 411.888 6.998 0 1 HKAF COc1cccc(-c2c(C)c(-c3cc(F)c(F)c(F)c3)nc3c2oc2ccccc23)c1 587360870 SCTWHQDULOEOQM-UHFFFAOYSA-N 419.402 7.049 0 1 HKAF COc1cccc(-c2cc(-c3c[nH]c4cc(OC)ccc34)nc3c2oc2ccccc23)c1 587363676 SDYIQYBYSVSHPA-UHFFFAOYSA-N 420.468 6.814 0 1 HKAF CC(C)(C)[C@@]1(c2ccsc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587371790 DEUFABKYHXBKES-XXBNENTESA-N 411.498 5.476 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(Cl)ccc(Cl)c21 587380657 WXNYMSDRNSSAER-HSZRJFAPSA-N 424.283 5.337 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(C(F)(F)F)cc1F)O2 587381112 GAGWTSLJJXQJGU-QFIPXVFZSA-N 415.386 5.644 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2c(ccc3c(C)cccc23)-c2occ(C)c21 587412343 NLQAOQTUCMIVIY-HHHXNRCGSA-N 423.468 5.664 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(OCc3cnc(Cl)s3)c1)O2 587413054 LTTQHRJDLKKUTC-NRFANRHFSA-N 414.914 5.147 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(Cl)c(Cl)c4)cc1)[C@@H](C2)C3=O 587418451 HWFTUWCSDYWZEG-SBUREZEXSA-N 411.284 6.158 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc4c(C(F)(F)F)ccc(Cl)c4[nH]1)[C@@H](C2)C3=O 587419541 CSGTUVMRLHQIMH-JEOXALJRSA-N 407.775 5.337 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc(Cl)c1OC(F)F)[C@@H](C2)C3=O 587422057 NIPXPANKDIHFKF-MGPLVRAMSA-N 401.192 5.092 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(C)cc4C)nc4ccccn14)[C@@H](C2)C3=O 587436614 SEBIFIYCBDKCJM-AFMDSPMNSA-N 410.473 5.115 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ncc(Cl)cc1Br)CC2=O 587456871 CFFSTTOFVSGHBN-SFHVURJKSA-N 410.695 5.036 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc(Cl)c(Cl)c1)CC2=O 587459712 CWERCZTUINYCSO-NRFANRHFSA-N 423.292 5.075 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(N)cc1)(c1ccc(C)c(C)c1)CC2=O 587472756 MJDOOAXXUATAKJ-AREMUKBSSA-N 401.506 5.453 0 1 HKAF CC1(C)Cc2ccc(Br)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587497199 LMAIBPQPQBORSV-HSZRJFAPSA-N 411.339 5.771 0 1 HKAF O=C1C[C@](c2cccc(OC(F)(F)F)c2)(C2CC2)Oc2c1ccc1c2CCCC1 587503585 HUFSIZDKSJEHDR-JOCHJYFZSA-N 402.412 5.735 0 1 HKAF Cc1ccc(C)c([C@@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587509732 WRVYJXNMLHPVTK-MHZLTWQESA-N 416.948 6.745 0 1 HKAF Cc1ccc([C@@]2(Cc3ccccn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587585677 FUOFHMRYUPUGKB-RPLLCQBOSA-N 423.468 5.195 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCCCC2)cc1 587595627 POBUIRGBOVQIOW-ZEQKJWHPSA-N 415.489 5.476 0 1 HKAF Cc1cc(Br)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587680843 QQKMTBQAWHIKMM-DYZYQPBXSA-N 413.128 5.283 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ccc3cccnc23)N1 587695045 IYMUKTZPNHTAIV-DGIBIBHMSA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C(=C/N(C)C)c2cccc(Cl)c2)N1 587696842 FZMXFZRIBGTEAS-SCMYEKEKSA-N 423.757 5.420 0 1 HKAF Cc1cc(Cl)cc2c1OCCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587701485 UTUOOBGQMAAKOH-ODXCJYRJSA-N 424.741 5.500 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCOc3cc(Cl)ccc32)N1 587701556 UYQLJCOTJBYLGH-WLRWDXFRSA-N 410.714 5.192 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2ccc(Cl)cc2)N1 587704068 RRKSRVOTQXWXQI-JEOXALJRSA-N 410.714 5.264 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)(F)F)c(F)c2)N1 587710654 GWYKEFKUAXOKFJ-BCTVWOGZSA-N 406.192 5.370 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCC(F)(F)F)N1 587712665 QEXCVSDNUHTPCH-BTDLBPIBSA-N 418.228 5.153 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2c(F)cccc2Cl)N1 587717447 GBNASDJGUHOMRH-FVEXXERHSA-N 412.705 5.844 0 1 HKAF Cc1ccc([C@]2(c3ccccn3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587770073 HXKFLSQYSNJGTB-NYHFZMIOSA-N 411.318 5.118 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C(=O)OC(C)(C)C)c2)N1 587792708 MFIJJUXQCHRAQY-CWTRNNRKSA-N 420.322 5.167 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2cc(F)c(F)cc2[nH]1 587854717 INCMHSCXQRIRDD-UHFFFAOYSA-N 409.223 5.399 0 1 HKAF CC(C)Oc1ccc(OC(C)C)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 587945152 JZDGDFNPSOFCEM-UHFFFAOYSA-N 421.516 5.648 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cccc(C(=O)O)c2[nH]1 587949164 PHCRZENMUHKBRS-VWKPWSFCSA-N 420.509 5.546 0 1 HKAF CC/C(=C/c1nc2c(Br)ccc(Br)c2[nH]1)c1ccc(C)cc1 587967161 LXIKUAJYVSMHFV-BENRWUELSA-N 420.148 6.347 0 1 HKAF C[S@](=O)c1ccc([C@@H](CC2CCCC2)c2[nH]c3ncccc3c2Cl)cc1Cl 653780440 DKRAUWFHWZEQMO-JWIGPWBQSA-N 421.393 6.319 0 1 HKAF CCOC(OCC)c1ccc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)cc1 961617178 UFZGGHIAZUUJBG-HXUWFJFHSA-N 416.359 5.288 0 1 HKAF COc1ccc2c(c1OC)[C@@H](c1cc3cc(Cl)ccc3nc1Cl)N(C)[C@H](C)C2 962639211 VITABROWUMYDSY-MPBGBICISA-N 417.336 5.525 0 1 HKAF Brc1ccc2c(c1)OCCC[C@@]21NCCc2cccc(-c3ccccc3)c21 962661152 JCYVRCGKSJXAHC-XMMPIXPASA-N 420.350 5.678 0 1 HKAF C[C@]1(c2c[nH]c3ccc(Cl)cc23)c2cccc(F)c2CCN1[C@H]1CCSC1 962699418 HSUXVFVTHBKKDN-OYHNWAKOSA-N 400.950 5.588 0 1 HKAF CC[C@]1(c2ccc3ccccc3c2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962709274 QKPZGHNFAHPZIT-IFMALSPDSA-N 417.402 5.250 0 1 HKAF c1ccc2sc(SC3=C([C@H]4NCCc5nc6ccccn6c54)CCCC3)nc2c1 962990723 TXXJOTYCTWVQDD-OAQYLSRUSA-N 418.591 5.751 0 1 HKAF Fc1cccc2c1[C@H](c1cnn(Cc3ccc(C(F)(F)F)cc3)c1)N1CCC[C@H]1C2 963114586 VTKZWNWZYQQLSJ-UGKGYDQZSA-N 415.434 5.199 0 1 HKAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1ccc2c(c1)Sc1ccccc1N2C 963576829 AGLJAVXXLABNIE-SGANQWHYSA-N 418.562 5.560 0 1 HKAF COc1ccc(CC[C@@H]2CN(Cc3c[nH]c4cc(F)ccc34)CCC2(F)F)cc1 1772617070 RDVOXVBLQWUZOS-GOSISDBHSA-N 402.460 5.406 0 1 HKAF CC(C)CC[C@@H]1C[C@H](Cc2ccc(=N)[nH]c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l)Cc2ccccc2)C1 2356786758 BANUALHDPUSWKA-LANGDILFSA-N 420.977 5.391 0 1 HKAF CC(C)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)cc1F 2482175 MRROTSJOPCCHQX-UHFFFAOYSA-N 407.272 5.840 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 13833452 KWPSQNPDYDPKJV-VWLOTQADSA-N 400.566 7.039 0 1 HKAF N=C(N)CCCC[C@H]1C(=O)O[C@H]2Cc3ccc(-c4cccc(-c5ccccc5)c4)cc3[C@@H]21 27435377 YAMGGUMWYSKBGX-NIYJGHKDSA-N 424.544 5.698 0 1 HKAF CCCCCn1cc(C(=O)NC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)c(=O)c2cccnc21 28864737 SWELXFURIBQVOH-WNPZUFKQSA-N 421.585 5.066 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 33820599 PMXUHALEAGDHAV-PLQODDGESA-N 418.662 5.330 0 1 HKAF O=C(OCc1ccccc1)c1coc(-c2cccc(Cl)c2OCc2ccccc2)n1 49110591 RARUFGRWKZVYSZ-UHFFFAOYSA-N 419.864 5.931 0 1 HKAF CC(C)N1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1(C)C 58504656 FDUMSXVQMHLSOY-GMAHTHKFSA-N 400.969 5.860 0 1 HKAF Cc1ccccc1/C(=C\CCN1CCC[C@@H](C(=O)O)C1)c1ccccc1C(F)(F)F 66263227 TXHZNTFLKRZVLK-BAOGCXAUSA-N 417.471 5.632 0 1 HKAF COc1ccc([C@H](O)c2nnc(Nc3cccc(Oc4ccccc4)c3)s2)cc1 82078063 QKKFJDXVKWWHDW-FQEVSTJZSA-N 405.479 5.164 0 1 HKAF CCCCNc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccccc2)n1 82133759 ZMQSTIWGRDYEQQ-UHFFFAOYSA-N 402.542 5.406 0 1 HKAF Cc1oc(-c2cnc(NCC3CCCCC3)nc2-c2ccco2)nc1-c1ccccc1 82165476 CWVOHSCZKVUHFO-UHFFFAOYSA-N 414.509 6.359 0 1 HKAF O=C(O)C[C@@H]1O[C@H](c2cccc3ccccc23)c2cc(Cl)ccc2-n2cccc21 84687290 IOMUUHMNPYQWQL-LADGPHEKSA-N 403.865 5.919 0 1 HKAF COc1ccc(CSc2nc(O)c(C)c(C(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 96940094 ZBSKPXPCZJIMAE-UHFFFAOYSA-N 422.550 5.320 0 1 HKAF CCO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3)nn2[C@@H]1c1ccc(C)cc1 103531224 LUEYEIUCZKNXPC-GOBJLOIFSA-N 420.538 5.380 0 1 HKAF CC1(C)CC2=Nc3ccc4ccccc4c3[C@@H](c3ccc(Br)o3)C2=C(O)C1 104099565 VUEXCBYPCICVST-JOCHJYFZSA-N 422.322 7.045 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 118919826 UYOSSIFSBNNKRC-ZGFNZYJZSA-N 420.678 5.410 0 1 HKAF CCNC(=O)N[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(n5ccnc5)[C@@]4(C)CC[C@@H]32)C1 141905616 CUYBGUWAAACGAV-ZHVUVNKMSA-N 410.606 5.064 0 1 HKAF O=S(=O)(c1ccc(F)cc1)c1cnc2ccc(F)cc2c1-c1ccc(Cl)cc1 165917049 VHZZSSRNWZUXJG-UHFFFAOYSA-N 415.848 5.666 0 1 HKAF CO[C@]12C[C@@](C)(O)[C@H]3C[C@@]4(C)CC[C@H]([C@@H](C)/C=C\C=C(C)C)[C@@H]4CC=C(CO1)[C@@H]32 198877757 FGDVBOIMXKJEPX-RYYOQGPLSA-N 400.603 5.658 0 1 HKAF O=C(O)c1ccc2nc(-c3cc4ccccc4s3)c(N3CCCCCC3)nc2c1 205433578 GXQFYXYVMFMIDV-UHFFFAOYSA-N 403.507 5.590 0 1 HKAF O=C1c2cc(-c3ccc(C(F)(F)F)cc3)cc(F)c2OCCN1Cc1ccccc1 206184839 IQIINYHQMVVGEK-UHFFFAOYSA-N 415.386 5.546 0 1 HKAF C[C@H]1CC[C@H](O)C/C1=C\C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCC(=O)C(C)(C)O 238765964 QCDBAHGYVQYEGK-OEDKCNDYSA-N 416.646 5.993 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@@]43C)[C@H]1CCC2=O 253639440 FXJBFSBELBAUFO-JGLOHJAKSA-N 413.565 5.409 0 1 HKAF CCC(CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)=C(C)C 257545878 STLJXSQSUAPXFX-PHAOXHQDSA-N 412.702 8.089 0 1 HKAF endogenous,in-man CC(C)=C1CCN[C@@H]1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@@]21C 299840550 VJHRMJFJZGQHMU-CMOJBWJXSA-N 424.717 6.617 0 1 HKAF Fc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 473114362 NBQNQHNUOUNJCG-UHFFFAOYSA-N 423.278 6.529 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(Br)cnc3[nH]2)c1 586879985 VZOQFOUHVOTINP-UHFFFAOYSA-N 406.283 5.235 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2cc(Cl)cc(C)c2[nH]1 586982126 RAXLWBXXIITGRI-UHFFFAOYSA-N 421.766 6.913 0 1 HKAF COC(=O)c1cccc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c12 586983121 VZQXFNHITLRMFK-HNNXBMFYSA-N 415.331 5.484 0 1 HKAF O=C1c2ccccc2-c2cc(/C=C/c3cccc(C(F)(F)F)c3)nc3ccc(O)c1c23 586987176 UHGVCKGYZGNVCM-CMDGGOBGSA-N 417.386 6.341 0 1 HKAF COc1c(F)cc(Cc2cnc3c(C)ccc4c3c2-c2ccccc2C4=O)cc1F 586996253 QRLHAXKSXSVWTG-UHFFFAOYSA-N 401.412 5.632 0 1 HKAF Clc1cc(Cl)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c1 587002892 PLAACUOZKJBJEJ-UHFFFAOYSA-N 410.102 5.225 0 1 HKAF Clc1ccc(-c2nc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)cs2)cc1 587016611 ZFCZLPPMUNZNIT-UHFFFAOYSA-N 419.962 7.158 0 1 HKAF Clc1ccc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2c1 587021796 RETDLQWOELHWSS-UHFFFAOYSA-N 403.898 6.145 0 1 HKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(I)cc2[nH]1 587067824 QVKZGUKCWAGQIR-SNVBAGLBSA-N 412.658 5.269 0 1 HKAF FC(F)(F)c1c(Br)ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587081125 STEQHGTWEONZKW-LBPRGKRZSA-N 417.612 5.674 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 587091768 ORRRVKJOBLQREV-UHFFFAOYSA-N 413.424 5.510 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(F)cc(Br)c3)nc3cccc1c23 587102749 FIRDWIRPLIPBTD-UHFFFAOYSA-N 404.238 6.015 0 1 HKAF CCCCCOc1cc2nc(Cc3ccc(OC)cc3F)[nH]c2cc1Br 587148916 MYMNNQVRSMEBEY-UHFFFAOYSA-N 421.310 5.633 0 1 HKAF Cc1cc(Cl)cc2nc(-c3cc(I)ccc3Cl)[nH]c12 587182187 BIPZOQDDTDBXEY-UHFFFAOYSA-N 403.050 5.450 0 1 HKAF CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)c3nc4cccc5c4c(c3C[C@@H]12)CC5 587213347 HJLWPTVRXXOAJF-UYJGJPIRSA-N 423.556 5.829 0 1 HKAF COc1ccc([C@]2(C(C)(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587346343 BJRQVEBDIOEQOF-OZXSUGGESA-N 420.480 5.840 0 1 HKAF COc1cccc2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349813 JGRZIGDWVIQTOJ-UKILVPOCSA-N 404.437 5.131 0 1 HKAF COc1cccc(-c2cc(-c3sc(C(C)C)nc3C)nc3c2oc2ccccc23)c1 587364349 BWOOBAGSRJHJCL-UHFFFAOYSA-N 414.530 7.212 0 1 HKAF CCOC(=O)c1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cn1 587364410 WJPZIPMOWFDYQG-UHFFFAOYSA-N 424.456 5.895 0 1 HKAF COc1cccc(-c2c(CC(=O)O)c(-c3ccccn3)nc3c2oc2ccccc23)c1 587364664 ZNFCRKFBGCEYDF-UHFFFAOYSA-N 410.429 5.346 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(Cc3ccccc3Cl)c1Cl)O2 587379909 MSKVOLBINUMINA-SFHVURJKSA-N 416.308 5.144 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(-c4cc(C)ccc4C)[nH]c4ccccc14)[C@@H](C2)C3=O 587437712 JIHKXRWVSYNYTH-DCFHFQCYSA-N 409.485 5.949 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc(OC)cc3)cc1)CC2=O 587476947 GWQLIHUSPAFQLS-DEOSSOPVSA-N 404.462 5.852 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccccc3)nc3c(C)cccn13)CC2=O 587488832 KLAFIJKFVBDMGC-QFIPXVFZSA-N 412.489 5.674 0 1 HKAF C[C@]1(c2cc3cccc(Br)c3o2)CC(=O)c2ccc3c(c2O1)CCCC3 587495069 BOLXXOODZVJWCX-JOCHJYFZSA-N 411.295 5.955 0 1 HKAF O=C1C[C@H](c2cc3cc4c(cc3nc2Cl)OCO4)Oc2c1ccc1c2CCCC1 587501302 RLWOXUPLVBAGGL-LJQANCHMSA-N 407.853 5.202 0 1 HKAF C[C@@]1(c2c(F)ccc(Br)c2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587502129 CWBWHENCIDHWIY-FQEVSTJZSA-N 423.709 6.001 0 1 HKAF O=C1C[C@](Cc2ncc[nH]2)(c2ccc(Cl)cc2F)Oc2c1ccc1c2CCCC1 587505172 LBZOCAQWLSEONH-QHCPKHFHSA-N 410.876 5.184 0 1 HKAF CC[C@@]1(c2ccc(F)c(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587506057 OIHWNKZVORGDQC-NRFANRHFSA-N 403.291 5.738 0 1 HKAF O=C1C[C@@H](C2(c3ccccc3)CCC3(CC2)OCCO3)Oc2c1ccc1c2CCCC1 587535996 PZDCUDLZVOKXRA-DEOSSOPVSA-N 418.533 5.154 0 1 HKAF CC(=O)Oc1c(-c2ccc(Cl)cn2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626131 PYDSKUZGVSJKRG-UHFFFAOYSA-N 422.712 5.846 0 1 HKAF CCOC(=O)C(=O)c1c(-c2ccccc2Br)[nH]c2cc(Cl)c(F)cc12 587628716 XVHDFXPEXCEAAR-UHFFFAOYSA-N 424.653 5.136 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(-c3ccccn3)c2c1 587638263 DTOFBKSHLHKPPM-OAHLLOKOSA-N 405.339 7.173 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(O)c(Cl)c2)N1 587695306 RGNUBJSHTOFOBF-MLXNANBUSA-N 405.094 5.224 0 1 HKAF Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]c2ccc(Cl)cc12 587702888 XCYMJRFBBGAJAI-UGZDLDLSSA-N 407.714 5.655 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ncc2C(F)(F)F)N1 587714335 PKCSMUOFBQHFFW-NZFNHWASSA-N 423.635 5.279 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2[nH]c2ccc(F)cc32)N1 587728504 FNODTDATWBEKHW-WIUDPPPLSA-N 417.297 5.323 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(F)cc2)N1 587729765 DGCDTKKEPUEEHF-RCDICMHDSA-N 414.293 5.553 0 1 HKAF CC(C)n1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587756873 MOOVNZMGGQWLDX-ASSNKEHSSA-N 401.323 5.747 0 1 HKAF Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1C 587758410 XLPMHXZSVHBAFS-QKVFXAPYSA-N 401.323 5.186 0 1 HKAF CCC[C@@H](CC1(c2nc3cncc(OC)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782594 UXZRFXUJVKJSSS-IBGZPJMESA-N 421.541 5.328 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)C[C@@]1(CC3)N[C@@H](C)Cc2cc(Br)c(F)cc21 587801761 IACYIVQAABAGBV-WHEQGISXSA-N 413.334 5.296 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1COc1ccccc12 587835133 NQKNQOPSBDGQAG-FATZIPQQSA-N 424.313 5.307 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(-c3ccccc3)s2)N1 587852192 DZKQKFRDMKRUIO-FKIZINRSSA-N 417.347 5.509 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc3ccc(Cl)cc23)N1 587853683 AWAPQHPNUTXSNI-DYBLOJMWSA-N 410.739 6.080 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncc(C(F)(F)F)cc1C 587854447 FFASQHCCDYMJCA-UHFFFAOYSA-N 416.230 5.967 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C(F)(F)F)cc(Cl)n1 587868820 UCBDCHPPFJKOMP-UHFFFAOYSA-N 422.716 5.029 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1cc(C)c(Cl)c(C)c1 587869245 FFAFSSQIFPEJJW-UHFFFAOYSA-N 402.853 5.077 0 1 HKAF COc1ccc(-c2cccc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)c2C)c(OC)c1 587928574 DSPNJQGKUNJJLA-UHFFFAOYSA-N 401.510 5.915 0 1 HKAF CCOC(=O)c1ccc2nc(-c3cccc(-c4ccc(OC)cc4OC)c3C)[nH]c2c1 587929263 LRBMLMZKGKWTJJ-UHFFFAOYSA-N 416.477 5.399 0 1 HKAF Clc1cc(Cl)c2c(c1)[C@H](c1ncc(-c3cccc(Br)c3)[nH]1)NCC2 963115719 APBNUECWXHKKQF-QGZVFWFLSA-N 423.141 5.381 0 1 HKAF CCCN1[C@H](c2ccccc2Sc2ccc(Cl)cc2)c2ccccc2C[C@H]1C 963245122 ZMLVGHIAXDRUBF-CJAUYULYSA-N 408.010 7.237 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C 963256481 CLWPPEGLISXYIH-STZQEDGTSA-N 402.623 6.104 0 1 HKAF CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4s3)o2)C1=O 1857549313 JVSUIIAVILFZHX-ZROIWOOFSA-N 402.522 5.485 0 1 HKAF CC(=O)Oc1c(Cl)cc(Cl)c2ccc(/C=C/c3c(F)cccc3Cl)nc12 1857563392 DULIGANHIDEGPO-FNORWQNLSA-N 410.659 6.430 0 1 HKAF COc1ccc(C(=O)N2CCc3c([nH]c4ccccc34)[C@H]2c2cccc(Cl)c2)cc1 1857611213 VTHHNXQVCOMVAW-XMMPIXPASA-N 416.908 5.618 0 1 HKAF O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2[C@H]1c1ccccc1F 1857612876 QVFSEQJBHNZOMN-LJQANCHMSA-N 421.324 6.374 0 1 HKAF C=CC(=O)Nc1cccc(-c2ccc(NC(=O)Nc3ccc(C(C)(C)C)cc3)cc2)n1 1857748585 OSUPNTUMBGPMEA-UHFFFAOYSA-N 414.509 5.815 0 1 HKAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@H]1[C@]2(C)CCC[C@@]1(C)COC(=O)C(C)C 2356459730 XDWAWFACGNSUSS-DKEXWMQESA-N 420.590 5.219 0 1 HKAF CC1(C)CCC2=C(C1)C1=CC[C@@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 2356470260 UNULJZGBTGCCHL-RCBBNUCESA-N 410.686 7.843 0 1 HKAF CC1=C2C[C@@]34CC[C@H]5CCC[C@H](C6=CCC7=C6[C@@H]3[N@]3C[C@@]36CCC[C@H]6C7)[C@@]4(C)[C@@]25CC1 2356762711 OGBNNUCMJFMTRR-UQLUADGXSA-N 413.649 6.957 0 1 HKAF CC(=O)c1c(C)c(C)c([C@@H](CCCCCC(=O)O)c2ccc(F)cc2)c(O)c1C 13456410 YYWSZNKABFNXKL-FQEVSTJZSA-N 400.490 5.826 0 1 HKAF Cn1c(=O)n(C)c2cc(-c3[nH]c(-c4cccs4)nc3-c3ccc(Cl)cc3)ccc21 14958479 KWZOOGGJLGXGMZ-UHFFFAOYSA-N 420.925 5.316 0 1 HKAF Cc1c(OCc2ccc(CSc3ccncc3)cc2)ccc(C(=O)CC(C)C)c1O 28368010 LOCKQNUKWBIMMS-UHFFFAOYSA-N 421.562 6.196 0 1 HKAF COc1cc(C)cc(C)c1-c1nc(C)c(N(CC2CC2)CC2CC2)c2ccccc12 29037820 MCTGBZCJSQUTHL-UHFFFAOYSA-N 400.566 6.462 0 1 HKAF C(=C/c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1)\CN1CCCCC1 34776952 VTCNWWJCRSYLPI-VQHVLOKHSA-N 418.625 6.108 0 1 HKAF CCOC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(-c3ccc(-c4ccccc4)n3C)cc1)N2 36271179 LXPFIHFWVCMHFG-ONJIFJTESA-N 414.549 5.146 0 1 HKAF O=C(OCc1ccccc1)N1CCc2c([nH]c3ccccc23)[C@@H]1CCC(F)(F)F 45231118 WWIGVVFFAQYPKP-IBGZPJMESA-N 402.416 5.746 0 1 HKAF CCCOc1ccc(Oc2ccc(-c3ccc([C@H](C)NC(=O)COC)cc3)cc2)cc1 45245483 YUZRPXRHVKPVGK-IBGZPJMESA-N 419.521 5.758 0 1 HKAF CCCC[C@@H](c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCCC[C@@H]1C 73223069 OEGMVAUTHDRDIB-OUTSHDOLSA-N 418.669 7.445 0 1 HKAF CC(C)c1ccc(-c2csc(N3CCC[C@H]3C(=O)NCc3ccccc3)n2)cc1 82192035 VMMNRFHKRCMESY-QFIPXVFZSA-N 405.567 5.219 0 1 HKAF CCOC(=O)CCCCCOc1cccc(CN(C(=O)c2ccccc2)C(C)C)c1 84759441 PVERFLKETCCCCH-UHFFFAOYSA-N 411.542 5.240 0 1 HKAF CCCCCc1cc(OC)c2c(c1)OC(C)(C)[C@@H]1C[C@@H](N3CCOCC3)C(C)=C[C@@H]21 87722531 LUXBRPHHQQEULZ-YPAWHYETSA-N 413.602 5.350 0 1 HKAF c1ccc2cc(-c3nc4ccccc4n3-c3ccnc(NC4CCCCC4)n3)ccc2c1 95586463 YHHANOMLSREBSQ-UHFFFAOYSA-N 419.532 6.380 0 1 HKAF CN1[C@@H]2CC[C@@H]1[C@@H](CNc1cccc(Br)n1)[C@@H](c1ccc(Cl)cc1)C2 101451368 RZDYKEZBUSRGJW-ZJPYXAASSA-N 420.782 5.176 0 1 HKAF Nc1c(C(=O)NCc2cccs2)oc2nc(-c3ccccc3)cc(C(F)(F)F)c12 103241971 DRENYBBDNQVHDD-UHFFFAOYSA-N 417.412 5.087 0 1 HKAF COc1cccc([C@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)c1 104021061 KREDENQZLAURMY-UPCLLVRISA-N 402.519 6.386 0 1 HKAF CC1=C(c2nc(-c3ccc4ccccc4c3)cs2)[C@H](c2cccc(O)c2)NC(=O)N1 145360729 YXOPOWOUMIWZQI-QFIPXVFZSA-N 413.502 5.454 0 1 HKAF COc1cccnc1-c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1 148339331 JDGRSFMZKRVBSY-UHFFFAOYSA-N 422.444 5.052 0 1 HKAF C=CC(=O)Nc1cccc(-c2c(N)ncnc2Nc2ccc(Oc3ccccc3)cc2)c1 205507592 YZBXYPYYWUFAEL-UHFFFAOYSA-N 423.476 5.386 0 1 HKAF CCCCCC(C)(C)C/C=C\C/C=C\C/C=C/C/C=C\CC[C@@H](C)C(=O)NCCF 231934549 LCXOKJHEOHVYGG-ICFPSJQNSA-N 419.669 7.880 0 1 HKAF CCCCCC(C)(C)C/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCO 231934779 ZYEZKKALDOOLCG-SHNUIUOCSA-N 403.651 6.657 0 1 HKAF CC(C)=CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2cc(O)cc(C)c2O1 238750785 IVNXPOCZLRVUIH-VHFRWLAGSA-N 400.647 8.144 0 1 HKAF C/C(=C\Cc1c(O)c(Cl)c(C)c(C(=O)O)c1O)CC/C=C(\C)CCCC(C)(C)O 299830288 YCTOLKGEIMWJTN-FVXNJELISA-N 424.965 5.914 0 1 HKAF COc1cc(Cc2c(-c3ccccc3)[nH]c3cc(Cl)ccc23)cc(OC)c1OC 473100624 IRLCELVCFVWUHR-UHFFFAOYSA-N 407.897 6.105 0 1 HKAF COc1cc(C(=O)c2c(-c3ccccc3)[nH]c3cccc(Cl)c23)cc(OC)c1OC 473105530 SNZOCOWXZNDAQA-UHFFFAOYSA-N 421.880 5.745 0 1 HKAF Cc1c(F)ccc2[nH]c(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nc12 586984884 WATQZSRKIVTZRJ-UHFFFAOYSA-N 424.273 5.692 0 1 HKAF Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 587047675 AELZSSWXHRJWLC-CVEARBPZSA-N 409.316 6.720 0 1 HKAF CC1=CC[C@H](C)C(C)(C)[C@H]1/C=C\c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099901 XAHZLLOXDWZBSL-ZDCWEZISSA-N 407.557 7.396 0 1 HKAF Cc1c(Br)cnc2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc12 587127950 CNJYGTATDUZGLO-UHFFFAOYSA-N 421.270 5.757 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(-c3cccc(NC(=O)c4ccc(F)cc4)c3)nc2c1 587163833 UUARXFABTRJSOB-UHFFFAOYSA-N 423.831 5.061 0 1 HKAF C[C@@H]1CCCC[C@@H]1N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587342317 DHHKBZQJFGHPDD-OUPRXKBMSA-N 423.528 5.304 0 1 HKAF Cc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352862 JYKWNDMDLVWIHN-IAPPQJPRSA-N 424.471 6.142 0 1 HKAF CCOC(=O)C[C@@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587364130 XGYZGEQLFYEJCO-MRXNPFEDSA-N 415.489 5.715 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2SCCS[C@H]2C3)c1 587365803 HNNKRHGUYASELF-FDDCHVKYSA-N 405.544 6.102 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2Oc2ccc(C(F)(F)F)cc21 587382297 LMXFAEVEZPBOII-QFIPXVFZSA-N 411.379 5.611 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(F)cc3)c3ccccc3n1C)O2 587385814 VIBLRRAGIYCZFK-JOCHJYFZSA-N 400.453 5.582 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(F)(F)F)nc3ccccc13)CC2=O 587464075 HYNUWGDOEIUKBY-IBGZPJMESA-N 401.384 5.618 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccccc3F)c(F)c1)CC2=O 587468004 VTRVAQRGBDJFMA-QHCPKHFHSA-N 410.416 6.122 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1C(=O)O)(c1ccccc1)CC2=O 587490930 SWFGJNSYBVACFR-SANMLTNESA-N 416.473 5.146 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(Cl)o1 587538230 DLYDEQWHDYAEFN-YOEHRIQHSA-N 421.630 5.104 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCc1ccc(Cl)cc12 587550455 BALOMJROVOUBMK-URXFXBBRSA-N 406.865 5.629 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(OCC2CC2)c1 587555185 FRVFFCLFFFSIMI-ZJSXRUAMSA-N 406.409 5.023 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccccc1F 587569576 RHSDZKVWITXTPC-XUZZJYLKSA-N 401.393 5.025 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2c1ccc1ccccc12 587587125 FTNOFQBDCSGFHT-ATIYNZHBSA-N 407.425 5.730 0 1 HKAF CC(C)(C)c1[nH]c2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588738 LJZRAIUFJXBLDA-QPPBQGQZSA-N 413.473 5.874 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2ccc(Br)cc2)N1 587686227 ZWMODUALFOHJEK-MEBBXXQBSA-N 413.128 5.169 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3ccc(Cl)cc3)c2)N1 587693400 DPGZDKHCFMAHCJ-NSPYISDASA-N 420.713 5.051 0 1 HKAF CCCC[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587696827 FYWGARAXBMBLBB-XCLFUZPHSA-N 410.758 6.210 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc(Cl)c2Cl)N1 587697585 WUDVFRDDIHRIJK-QZTNRIJFSA-N 423.540 6.172 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(F)ccc2F)(C(F)(F)F)N1 587701300 CHOKBHMZYHZWNK-BCTVWOGZSA-N 424.182 5.207 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(Cl)c(Cl)c2)N1 587721733 QIMRGVMNFXBKMC-VGDKGRGNSA-N 407.085 5.658 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(N)cc3)o2)N1 587746278 LZHOFSZDXAWCDF-BIBXISHDSA-N 401.279 5.054 0 1 HKAF CC(C)COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587795877 SJMAEGIUHDDKJC-SPLOXXLWSA-N 406.339 5.421 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(Cl)cc(Cl)c1 587865316 ULGVWEUJACPROP-UHFFFAOYSA-N 401.215 6.264 0 1 HKAF O=C(O)CCCCCCCCCCCCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587956704 KVTVVSAJXITGFU-UHFFFAOYSA-N 416.459 6.639 0 1 HKAF Cc1cc(C)cc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)c1 653708033 NPXJBJAXADYBHP-UHFFFAOYSA-N 418.587 6.235 0 1 HKAF COc1ccc([C@@H]2NCCc3cc(C)c(F)cc32)cc1COc1ccccc1Cl 962369741 AOKZMLCLJSGIHH-DEOSSOPVSA-N 411.904 5.610 0 1 HKAF O=C(Cn1cccc1[C@H]1c2ccsc2CCN1Cc1ccco1)c1ccccc1 962706679 KSLGJCYSVRVIQU-XMMPIXPASA-N 402.519 5.173 0 1 HKAF c1ccc([C@]2(c3ccc4ccccc4n3)c3ccsc3CCN2Cc2ccco2)cc1 962712636 VLNIEHZSIFYZBO-HHHXNRCGSA-N 422.553 6.240 0 1 HKAF CCCCC[C@@]1(CCCCC(=O)O)c2cccc(F)c2CCN1[C@H]1CCSC1 962720222 ZZANPCKRRYJMDV-FDDCHVKYSA-N 407.595 5.610 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)c1ccccc1O[C@H]2c1ccc(O)cc1 962946735 AMAMRSVAPQSDLA-FBYAJWIBSA-N 424.500 5.010 0 1 HKAF FC[C@@]1(c2ccc(Cl)cc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962962655 WMYDPUVHEMOYGW-FQEVSTJZSA-N 413.842 5.223 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@]3(c1ccc(Cl)cc1)c1cnccc1C 963047872 QDASKMBUJSGIOW-RUZDIDTESA-N 415.924 5.038 0 1 HKAF Fc1cccc([C@]2(c3cncc4ccccc34)c3c(F)cccc3C[C@H]3CCCN32)c1 963096858 GNWRIUZDUVHSBH-AMGIVPHBSA-N 412.483 5.825 0 1 HKAF O=C(O)CCC[C@@]1(c2ccccc2C(F)(F)F)c2c(F)cccc2C[C@H]2CCCN21 963108274 LDKSBOMDVPLGSE-OPAMFIHVSA-N 421.434 5.364 0 1 HKAF CC(=O)Oc1cccc([C@]2(c3ccc(C)cc3)c3ccc(F)cc3C[C@H]3CCCN32)c1 963119010 YLNIHAFXHQIKJF-SHQCIBLASA-N 415.508 5.372 0 1 HKAF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](OC)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1772618382 AEQRPUMCBRKXFZ-LBSADWJPSA-N 420.634 5.220 0 1 HKAF O=C1[C@H](Oc2ccccc2)[C@@H](c2ccc(Cl)cc2)N1c1nc2ccccc2s1 1772638919 JDCLCTKJYKZFMJ-WOJBJXKFSA-N 406.894 5.485 0 1 HKAF Cc1c(-c2ccc(Cc3ccc(OC(F)F)cc3)cc2)[nH]c2cccc(F)c2c1=O 1857540766 JAUAGTHSIPNQFF-UHFFFAOYSA-N 409.407 5.835 0 1 HKAF C[C@H](CC(=O)O)CC(=O)c1c(CCCc2ccccc2)n(C)c2ccc(Cl)cc12 1857655209 HBFMKCKQQXJUQO-INIZCTEOSA-N 411.929 5.691 0 1 HKAF CC(C)=C[C@@H]1C[C@]23[C@H](CC[C@H](C)[C@]2(C)CC[C@@](C)(O)[C@H]3Cc2c[nH]c3ccccc23)O1 2356447586 XHGDWOIUBXSXIP-FXXYMZPPSA-N 421.625 6.418 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@H](OC(=O)C=C(C)C)[C@]2(C)[C@@H]1C 2356568297 JKNRDFAUDFWMHQ-PLYQFLJKSA-N 414.542 5.625 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC=C2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@@H]1CC3)C(C)C 2356604992 MZYZVYBSCOUPPO-CXPDRGRHSA-N 410.686 8.009 0 1 HKAF CO[C@@H]1CC[C@]2(C)C(CC[C@H](C)CCOC(C)=O)=C(C)[C@@H](OC(C)=O)C[C@@H]2C1(C)C 2356756426 DXDXHGPOYKHGNN-DVNWVXDQSA-N 422.606 5.465 0 1 HKAF Cc1cccc(CNC(=S)OCCN2CCCC23CCC(c2ccccc2)CC3)c1 205710337 ODFWDNYJSQIHRR-UHFFFAOYSA-N 422.638 5.579 0 3 HKAF CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(C)o2)C2=C(O)CC(C)(C)CC2=N1 6492421 PGJUBHXPXYGKDP-JOCHJYFZSA-N 408.473 5.810 0 1 HKAF Nc1ncccc1NCc1cc(-c2ccc3cc[nH]c3c2)ccc1OCc1ccccn1 11726159 KMBPJSHPAXOXBT-UHFFFAOYSA-N 421.504 5.398 0 1 HKAF in-vivo CC[C@@H](C)C(=O)c1c(O)c(CC=C(C)C)c2oc(=O)cc(-c3ccccc3)c2c1O 14585945 YALRCXHVQYBSJC-OAHLLOKOSA-N 406.478 5.609 0 1 HKAF endogenous,in-man COc1cc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(C)cc3)c2cc1OC 14944583 CIHXAAJUXLYSLJ-UHFFFAOYSA-N 400.482 5.751 0 1 HKAF COc1ccc(-c2cnc([C@H]3[C@@H](c4ccc(C)cc4)C[C@@H]4CC[C@H]3N4C)s2)cc1 14978624 LAVPLSGMUSPWHO-BQUSRXHISA-N 404.579 5.861 0 1 HKAF CC1(C)C=Cc2c(cc3c(c2O)[C@@H]2Oc4c(ccc5c4CCC(C)(C)O5)[C@H]2CO3)O1 15251911 FOPGCVXFFKCRHR-WAIKUNEKSA-N 406.478 5.290 0 1 HKAF biogenic Cc1ccc(C2=CCC(C)(C)c3cc4ccc(-c5ccc(C(=O)O)cc5)cc4cc32)s1 27866591 VGAAIQMKJKFJSO-UHFFFAOYSA-N 424.565 7.688 0 1 HKAF CC[C@@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc21 28563761 XQWUEDSGGNBHSG-IRLDBZIGSA-N 405.494 5.412 0 1 HKAF CCCCSCCCc1cc([C@H](CC)[C@@H](CC)c2ccc(O)cc2)ccc1O 29391490 VGGNONNHCHUDLR-ZEQRLZLVSA-N 400.628 7.251 0 1 HKAF CCC1=C[C@@](/C=C/c2ccccc2)(CC)[C@](CC)(C(=O)O)[C@H]2[C@H](CC)C(=O)[C@@H](C)[C@H]12 34803813 ALLQJQBDLUMIQH-SVGSLFQBSA-N 408.582 6.405 0 1 HKAF O=C(O)c1cc2c(cc1O)-c1[nH]c3cc(-c4cccc(C(F)(F)F)c4)ccc3c1CC2 34894065 XSJJPXNHHNHHSG-UHFFFAOYSA-N 423.390 6.023 0 1 HKAF CCn1c(Nc2ccccc2Cl)nc2cnc(Oc3c(F)cccc3F)nc21 40764271 BEVYMZDWJMHJMY-UHFFFAOYSA-N 401.804 5.314 0 1 HKAF COc1c(-c2c(C)cc3cccc(OC)c3c2O)c(O)cc2c1[C@@H](C)N(C)[C@@H](C)C2 40874580 UKOYLRKCEGOLOJ-LSDHHAIUSA-N 407.510 5.181 0 1 HKAF biogenic,in-vitro O=C(Nc1ccc2nc(C3CC3)cn2c1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 42989729 GGGYGIINMHYLLS-UHFFFAOYSA-N 421.422 6.150 0 1 HKAF CC(C)=CCc1c(O)c(C)cc2c1O[C@H]1c3cc4c(cc3OC[C@H]21)OC(C)(C)C=C4 43075100 UGKOYAUMAZQEFW-NLFFAJNJSA-N 404.506 6.003 0 1 HKAF biogenic CCCOc1ccc(Oc2ccc(-c3ccc([C@@H](C)NC(=O)OCC)cc3)cn2)cc1 45253732 MUOOVYXKSHJVBJ-GOSISDBHSA-N 420.509 6.137 0 1 HKAF C[C@@H](Oc1ccc2ncc([C@H]3C[C@@H]3C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl 45373208 QACCVOJRKKIYFM-KMUNFCNLSA-N 419.283 5.410 0 1 HKAF CN1[C@H]2CC[C@@H]1[C@@H](c1cc(Cc3ccc(F)cc3)no1)[C@@H](c1ccc(Cl)cc1)C2 45496130 LXNFWMBEBKFFDO-NXYDZRKXSA-N 410.920 5.792 0 1 HKAF COc1cc(C(=O)c2sc3ccccc3c2Nc2ccccc2)cc(OC)c1OC 66259853 RQRVTSAUVIYLST-UHFFFAOYSA-N 419.502 5.902 0 1 HKAF O=C1C(C2=Nc3ccccc3N[C@H](c3cccc([N+](=O)[O-])c3)C2)=C(O)c2ccccc21 68583028 RTPRCVZNDZDVKX-FQEVSTJZSA-N 411.417 5.390 0 1 HKAF biogenic CCCCCc1nc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccccc2F)oc1C 82175566 OZPCPJWSESRJKH-QGZVFWFLSA-N 424.520 5.570 0 1 HKAF COc1ccc(CCC(=O)C[C@@H](O)CCCCCCCc2ccccc2)cc1OC 85596235 TVLKESAXHGDMCQ-QHCPKHFHSA-N 412.570 5.540 0 1 HKAF biogenic,in-vitro O=C(Oc1ccc(-c2ccccc2)cc1)c1cn(-c2ccccc2)nc1-c1ccncc1 98085653 LKFQOLPXXIWPRM-UHFFFAOYSA-N 417.468 5.821 0 1 HKAF COc1ccc(-c2c(-c3ccccc3)nc3sc(-c4ccc(F)cc4)nn23)cc1 103175502 PGFMFPQWRKNUSY-UHFFFAOYSA-N 401.466 5.940 0 1 HKAF CCOc1cccc(F)c1[C@H]1C[C@H](C)C(=O)N1Cc1csc(-c2ccc(C)cc2)n1 167745202 DOOLJNLUINHQJO-OXJNMPFZSA-N 424.541 5.766 0 1 HKAF C=CC(=O)Nc1cccc(Oc2ncncc2-c2ccc(Oc3ccccc3)cc2)c1 205508777 KNVOFUIOWQCKLJ-UHFFFAOYSA-N 409.445 5.853 0 1 HKAF O=C(Nc1cccc(-c2cccs2)c1)c1ccccc1NC(=O)C1CCCCC1 224880096 IFOLPHJXCLBTKP-UHFFFAOYSA-N 404.535 6.186 0 1 HKAF CC(C)CCC[C@@H](CO)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 238734354 GTZWTRBGKCIOLZ-DRBNPITOSA-N 418.662 5.332 0 1 HKAF CC(C)[C@H]1CC[C@@](C)([C@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)C4=CC[C@@]32C)[C@@H]1C 255218005 HMOMYVDTGCDYKX-OYSIESORSA-N 410.686 7.555 0 1 HKAF Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2)sc1C 299881158 NMQDQHSYXOWFPB-PZQWHJIPSA-N 418.610 6.367 0 1 HKAF Clc1ccc(OCc2nc3cc(Cl)nc(Cl)c3[nH]2)c(Br)c1 586977313 LBSHAJLRDGUKLF-UHFFFAOYSA-N 407.482 5.260 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(Cl)c(Cl)cc1C3 586984861 BSETXHCTSLVMHJ-UHFFFAOYSA-N 404.252 6.030 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2c1 587079769 GUGPPBYQVWXNLW-ZDUSSCGKSA-N 406.713 5.930 0 1 HKAF Clc1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2cc1Cl 587082469 PESUJUTXKXBBSI-UHFFFAOYSA-N 424.718 7.405 0 1 HKAF Cc1c(Br)ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 587090984 DGEXIQXEPKXDSJ-UHFFFAOYSA-N 402.239 5.350 0 1 HKAF Cc1ccc2c(ccc3nc(/C=C\c4cccc(I)c4)[nH]c32)n1 587184010 NMUSUNCASYSGRI-POHAHGRESA-N 411.246 5.195 0 1 HKAF CC(C)(C)c1ccc(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 587205668 BNYGAUYLRSBDHE-UHFFFAOYSA-N 421.496 6.038 0 1 HKAF COc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1-c1cccc(C(F)(F)F)c1 587210236 KRHMHCPCKBHNHO-UHFFFAOYSA-N 405.419 6.695 0 1 HKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(Br)c(C)c3[nH]2)c1 587239064 UGSIBQSUAUWXPJ-UHFFFAOYSA-N 421.342 6.243 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCc3nc(Cl)ccc32)[C@@H]1c1ccc(F)cc1 587329321 LBOBQEXUDGQFPD-GGAORHGYSA-N 409.844 5.170 0 1 HKAF O=C1c2ccc(O)cc2OC2(CCN(c3ccc(F)cc3)CC2)[C@@H]1c1ccc(F)cc1 587335028 NMOLILHGNOLXFP-HSZRJFAPSA-N 421.443 5.069 0 1 HKAF COc1ccc(CC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587347006 DIKWRMUYZDFHFI-UKILVPOCSA-N 406.453 5.290 0 1 HKAF Cc1cccc2c1OCCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355918 HDAPXGKSBDBFJD-DHLKQENFSA-N 404.437 5.267 0 1 HKAF Cc1oc2ccc(O)cc2c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356716 QXOVEQWPSGOEPZ-NOZRDPDXSA-N 418.420 5.566 0 1 HKAF COc1cccc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)oc12 587357259 TZNGGODEQSYRNY-RDGATRHJSA-N 418.420 5.560 0 1 HKAF C=CC(=O)NC(C)(C)Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587359863 JRRPGPBVPFBYLO-UHFFFAOYSA-N 400.478 5.280 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(-c3ccccc3)c3cc(Cl)ccc3n1)O2 587378375 BOKAFRCDQUNZFS-NRFANRHFSA-N 415.880 5.547 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)O2 587399587 LRLBLPIAWVKZGX-VWLOTQADSA-N 409.485 6.016 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(C)cc1Br)[C@@H](C2)C3=O 587412263 IHUISMNOJVQHHK-NYHFZMIOSA-N 424.294 5.046 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1c(C)cccc1Cl)CC2=O 587461801 TWGIJBIRCXKINZ-QFIPXVFZSA-N 401.890 5.059 0 1 HKAF O=C1C[C@H](c2ccc(Br)c(Cl)c2F)Oc2c1ccc1c2CCCC1 587503689 IOCYUMCFSSRVQL-MRXNPFEDSA-N 409.682 5.827 0 1 HKAF O=C1C[C@]2(CC[C@H]2c2ccccc2OCc2ccccc2)Oc2c1ccc1c2CCCC1 587523662 LWNRKMQSXNKWHG-SVEHJYQDSA-N 424.540 6.426 0 1 HKAF COc1ccc(COc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 587525126 QGIQTNYAFBIQJK-AREMUKBSSA-N 414.501 5.860 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1Cl)C1CCCC1 587547833 NPEBRRKFLIFOIW-RDGATRHJSA-N 420.892 6.093 0 1 HKAF Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]c2c(Cl)cccc12 587551418 FEUDFFNUANHCNW-JPYJTQIMSA-N 405.837 5.538 0 1 HKAF Cc1cc(Cl)cc2c1OCCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552799 SOTOPTWOYUIMBC-GBXCKJPGSA-N 422.864 5.384 0 1 HKAF C[C@@]1(c2ccccc2CCCCF)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587559165 ZGCJFMISIPKTGQ-DHLKQENFSA-N 406.453 5.561 0 1 HKAF Cc1cccc(C)c1-n1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587574581 BRHDJDYXPSZAHX-BKMJKUGQSA-N 411.457 5.503 0 1 HKAF O=C(Nc1ccccc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587654230 QFPDMYRSVCYJDS-UHFFFAOYSA-N 411.795 5.075 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccc(Cl)cc2)N1 587697469 GQFULSUONKPGTH-GKKXHGIXSA-N 423.757 5.095 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2C[C@H]2c2ccccc2Cl)N1 587700722 WFMAYXFOAKESEG-XGRCCOSOSA-N 408.742 5.795 0 1 HKAF CC[C@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587711146 GHZUMBVSLJLULR-BBATYDOGSA-N 416.256 5.795 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2Br)N1 587717324 FTQCETVNLCQCQC-VPTHRUTESA-N 417.091 5.113 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)(F)F)cc2)N1 587717870 GYOOMCQHLZBRLE-XXFAHNHDSA-N 404.201 5.110 0 1 HKAF CCc1ccccc1-n1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587757080 UTNMGMZGODAIKY-FPTDNZKUSA-N 413.334 5.565 0 1 HKAF CCCOc1ccc2[nH]cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587806149 VFXWVFJQRPIUOD-XUSGNXJCSA-N 417.322 5.482 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccccc2)N1 587812192 ITPJTCIYBGWFFB-HJPURHCSSA-N 410.330 5.609 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CC=C(CCCC(C)(C)O)CC2)N1 587820127 AEDGVMINZFWCLC-IUSZMWJPSA-N 424.398 5.831 0 1 HKAF CC(C)c1cccc2c1OCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587833517 GPNZYODSGDIBFR-ZSEKCTLFSA-N 404.323 5.272 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nccc(-c2cc3ccccc3o2)n1 587871703 NLNKHVGQJBCFFY-UHFFFAOYSA-N 400.413 5.280 0 1 HKAF COc1ccc(C[C@H](C)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1OC 587925673 GKHWXPDFXXHNRY-JTQLQIEISA-N 414.811 5.478 0 1 HKAF Oc1ccc(OCCCc2ccccc2)n1CCCc1ccc(Cl)c(Cl)c1 587943177 PGZDZRHQBDQBLV-UHFFFAOYSA-N 404.337 6.145 0 1 HKAF O=C(COc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1ccccc1C(F)(F)F 653729276 XQPNXRZEQKOQPF-UHFFFAOYSA-N 416.273 5.092 0 1 HKAF O=C(COc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1ccc(C(F)(F)F)cc1 653730197 HZIPMFORQVNDPA-UHFFFAOYSA-N 416.273 5.092 0 1 HKAF Cc1c[nH]c2ncc([C@@H]3c4ccc5c(c4CCN3C(=O)OC(C)(C)C)NCCC5)cc12 961778784 RXNDNIXVZKAEKL-JOCHJYFZSA-N 418.541 5.112 0 1 HKAF COc1cc2c(cc1OC)[C@H](c1cc(Cl)cc(Cl)c1Cl)N(C)[C@H](C)C2 962629486 HTUAZFKCFJNAQU-GIGQVBGESA-N 400.733 5.630 0 1 HKAF Cc1ccc(-n2nc(C)c([C@H]3NCCc4cc(-c5ccccc5)ccc43)c2C)c(C)c1 962667894 WSHSWSGCOKZZLL-NDEPHWFRSA-N 407.561 6.008 0 1 HKAF COc1ccc(-c2ccc(Cl)cc2F)cc1[C@@H](CC(=O)O)c1ncc(C)s1 1772652625 CEPKPJDMFRMEND-MRXNPFEDSA-N 405.878 5.526 0 1 HKAF COc1cc2c(cc1OC)[C@@H](CCc1c[nH]c3ccccc13)N(CC(F)(F)F)CC2 1857568031 DGHYBWQULDJDCT-HXUWFJFHSA-N 418.459 5.279 0 1 HKAF CCCCC[C@H](O)c1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1 1857596063 REWFYBUVJAZDQT-DEOSSOPVSA-N 404.941 6.935 0 1 HKAF Clc1ccc(CCN2CCN(c3ccccc3-c3ccccc3)CC2)cc1Cl 1857644905 MTJKUJXJFAFMQG-UHFFFAOYSA-N 411.376 6.025 0 1 HKAF OCc1cc2c3ccccc3n(Cc3ccc(F)cc3)c2c(-c2c[nH]c3ccccc23)n1 1857769428 CCTPXQNPEBDCSX-UHFFFAOYSA-N 421.475 6.018 0 1 HKAF CC(=CCCC(=CC[C@@H](O)C1=CC(=O)OC1)CO)CCC1=C(C)CCCC1(C)C 2356442396 APZLDGIERUEODP-HSZRJFAPSA-N 402.575 5.173 0 1 HKAF CC(=O)OCC=C(C)CCC=C(CCC[C@H](C)[C@H](O)CC=C(C)C)COC(C)=O 2356461332 BZAVZICHJGLLNC-GBXCKJPGSA-N 408.579 5.289 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356584548 HXQRIQXPGMPSRW-UDQVBOBQSA-N 400.691 7.613 0 1 HKAF C[C@]1(C2CCCCC2)O[C@@]2([C@@H]3CCC[C@@H](Cc4ccc(O)cc4)C3)CC[C@H]1[C@H](N)C2 2356778378 TZZKJBXWDRLWGL-HTXDFFQTSA-N 411.630 5.977 0 1 HKAF CCCCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(Cl)cc3)n2)s1 8672448 WBPYTLUIAMQXCF-UHFFFAOYSA-N 420.991 6.491 0 3 HKAF O=C(NCCc1ccccc1F)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 773759 DCIBCJISLOCUIA-UHFFFAOYSA-N 410.445 5.321 0 1 HKAF CC(C)N(C(=O)COc1ccc(-c2ccc(C(=O)O)cc2C(F)(F)F)cc1)C(C)C 840848 WFBADSGNJYTGDF-UHFFFAOYSA-N 423.431 5.095 0 1 HKAF COc1cc2nc(-c3ccc4c(c3)[C@H](N(C)C)CCC4)cc(O)c2cc1-c1cnco1 13487605 MYASTKRFIDHEBN-JOCHJYFZSA-N 415.493 5.210 0 1 HKAF O=C(/C=C\C=C/CCCCCCCCCCCCCCCCCO)N1CCCCC1 15266872 PRNFXRJMEAUSFT-QBTJJOFXSA-N 419.694 7.345 0 1 HKAF biogenic,in-vitro COc1c(O)c(C=O)c2c(c1C(C)C)C(=O)[C@]1(C)CC=C(C)[C@H](CC=C(C)C)[C@@H]1C2=O 15268435 JIBJRIUIIPXXGN-YGNPSHASSA-N 424.537 5.661 0 1 HKAF biogenic CCN(CC)C(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3C)c2ccc(OC)cc2)cc1 26252850 YBLMKLANMRPPGX-PSWAGMNNSA-N 418.581 5.236 0 1 HKAF CCCCC/C=C/C(=O)O[C@H]1C[C@H]2[C@H](CCC[C@H]2CCCC[C@@H](O)CCC)N[C@H]1C 26835024 QNAATLGQMSSVEO-KVJREUPCSA-N 421.666 5.923 0 1 HKAF Fc1ccc([C@@H]2C[C@@H]3CC[C@H]([C@H]2c2ccc(F)cc2)N3CCCc2ccccc2)cc1 26984856 HMCBNLGRMGUNCH-BPXGVECKSA-N 417.543 6.702 0 1 HKAF CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc(C)n4)c3c2C)cc1 28569209 UDZIVMDKAUKZQF-UHFFFAOYSA-N 401.514 5.060 0 1 HKAF CC(C)O[C@@H](CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CCCCC1 28637001 GMKIJWJMLADROB-BVAGGSTKSA-N 411.586 5.011 0 1 HKAF Cc1ccc(S(=O)(=O)N(c2cc(Cl)ccc2CO)[C@@H](C)CC(C)(C)C)cc1 28823151 LVTFUIQRTNZOGQ-INIZCTEOSA-N 409.979 5.161 0 1 HKAF CCc1nc(N[C@@H](C)c2ccccc2)c(CC)nc1Nc1ncc(Cl)cc1Cl 28956362 LDEKKTLRXJSKCX-ZDUSSCGKSA-N 416.356 6.220 0 1 HKAF CCCN(CCC)[C@@H]1COc2c(cccc2C(=O)c2ccc(C(F)(F)F)cc2)C1 29341506 ONJLWYBUUWLSBG-IBGZPJMESA-N 405.460 5.362 0 1 HKAF O=C(N[C@@H](Cc1ccccc1)c1cccc(O)c1)C(c1ccccc1)c1ccccc1 29347657 CRRVMUVDDNCKJQ-SANMLTNESA-N 407.513 5.624 0 1 HKAF COc1ccc(Nc2nc(Nc3cccc(F)c3C)cc(N3CCCCC3)n2)cc1 73164171 ZKYOWGSTUGDVHN-UHFFFAOYSA-N 407.493 5.410 0 1 HKAF O=C(c1cc2ccccc2[nH]1)c1cc2c(Nc3ccc(Cl)cc3)ncnc2s1 73200561 FMRFUIUHERADSV-UHFFFAOYSA-N 404.882 5.801 0 1 HKAF CCCCOCCCNc1cncc(Oc2cccc(C(=O)Nc3ccccc3)c2)n1 82068633 JEXMBPSUUJIFHS-UHFFFAOYSA-N 420.513 5.140 0 1 HKAF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccccc3F)n2)C1 82151598 IRJNGUASXAFUFF-ROUUACIJSA-N 424.564 5.170 0 1 HKAF Cc1cccc(-c2nc(NCCOc3ccccc3)ncc2-c2nc(C)c(C)s2)c1 82173164 XQVVEVROLLYFHN-UHFFFAOYSA-N 416.550 5.683 0 1 HKAF FC(F)(F)c1cccc(-n2cnc(-c3ccccc3Nc3ccc4c(c3)OCO4)n2)c1 87722406 UBXXHFMXMPRDNO-UHFFFAOYSA-N 424.382 5.425 0 1 HKAF C(COC(c1ccccc1)c1ccccc1)=C1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1 100937777 FENDTBMFHNEILH-NSOVKSMOSA-N 409.573 6.546 0 1 HKAF CN(C)C(=O)OC1=C(c2cccc3ccccc23)Sc2ccccc2[N+]2=C1CC=C2 102220996 YHEHREAHPUDTIN-UHFFFAOYSA-N 413.522 6.015 0 1 HKAF CCN1CCc2c(c3cc(Cl)ccc3n2CCCOc2ccc(Cl)cc2)C1 169350505 PHZOYAYLCPLJRR-UHFFFAOYSA-N 403.353 5.795 0 1 HKAF CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1ncc(-c2ccccc2)o1 169722344 BKDYXCKSNUIXDC-RTWAWAEBSA-N 423.303 6.324 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccccc2)c(Cl)c1)C3 195102301 AQWNEEQYGAZQAV-GIBYCGCCSA-N 421.968 5.684 0 1 HKAF COc1cc(N[C@H](C)CCCN)c2nccc(C)c2c1OCCCc1ccccc1 200029073 PZHIWFDTWSOOPZ-LJQANCHMSA-N 407.558 5.103 0 1 HKAF CC[C@H](C)CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]12C 238778967 JBMWFOFITHEFEY-VMHMEHOXSA-N 404.635 6.462 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=C[C@@H]3O 253704446 OYXZMSRRJOYLLO-BKWIJQFESA-N 402.663 6.360 0 1 HKAF c1c[nH]c(-c2ccc(OCCCCCCCOc3ccc(-c4ncc[nH]4)cc3)cc2)n1 263620698 LGLZBONOWHSGOF-UHFFFAOYSA-N 416.525 5.875 0 1 HKAF in-vitro CN(C)c1ccc(NC(=O)Nc2cccc(-c3cccc(N4CCCC4)n3)c2)cc1 299834569 JXXPBVZOWZSFBD-UHFFFAOYSA-N 401.514 5.059 0 1 HKAF Cc1cccc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 299885120 UZBMCLMUUNXXMX-NCYKPQTJSA-N 420.601 5.052 0 1 HKAF C=C(Br)C(=O)Nc1cccc(-c2cn3c(-c4ccccc4)csc3n2)c1 473087937 MPQFAKNHQCKCEY-UHFFFAOYSA-N 424.323 5.577 0 1 HKAF Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1cnc(C(C)(C)C)nc1 473108843 OVYKTGGZGUDSPT-UHFFFAOYSA-N 402.445 5.126 0 1 HKAF O=C1c2ccccc2-c2cc(-c3nc4ccccc4n3C(F)F)nc3ccc(O)c1c23 586985266 BSBZOELBNUICIR-UHFFFAOYSA-N 413.383 5.564 0 1 HKAF O=C1c2ccccc2-c2cc(CCc3ccc(C(F)(F)F)cc3)nc3ccc(O)c1c23 586987517 YBQGYVDJIPGEFX-UHFFFAOYSA-N 419.402 5.956 0 1 HKAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cccc(Cl)c2[nH]1 587018550 GVZMIJFLVYWZTA-UHFFFAOYSA-N 422.768 6.973 0 1 HKAF Cc1ccc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2n1 587054073 ITTOUYFECBDXKU-CYBMUJFWSA-N 414.292 6.505 0 1 HKAF COc1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2n1 587063908 DAYOTUCJXXCRDX-UHFFFAOYSA-N 418.884 5.321 0 1 HKAF Clc1ccc(CC/C(=C/c2nc3cc4c(cc3[nH]2)OCCO4)c2ccccc2)cc1 587074423 XLXCNJZBVXSIJL-RGEXLXHISA-N 416.908 6.161 0 1 HKAF Cc1c(Cc2ccccc2Br)nc2cccc3c2c1-c1ccccc1C3=O 587100783 ABKXZEYQBRAIMN-UHFFFAOYSA-N 414.302 6.108 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H](c1ccc(C(F)(F)F)cc1)C3 587104501 XHLVLJUYPWOYSX-OAHLLOKOSA-N 415.414 6.347 0 1 HKAF FC(F)(F)c1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1Cl 587120001 NDIXONYWTKILBV-UHFFFAOYSA-N 422.760 5.378 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1F 587148597 CMESPQAJVHRQLJ-LJQANCHMSA-N 420.337 5.908 0 1 HKAF Fc1cccc([C@H]2C[C@H]2c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1F 587152551 PSSAIEZHMOUDLE-HUUCEWRRSA-N 403.457 6.389 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cccc(Br)c2[nH]1 587190085 GONOLPXIYOOSMZ-KRWDZBQOSA-N 416.319 5.282 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCCCCCCCCCC=CCC3 587206461 DJCDIXGCZUEUFZ-UHFFFAOYSA-N 423.600 8.002 0 1 HKAF C[C@]12CC(=O)[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@@H]1CCC2=O 587214470 ARXVSBVUHQCDLW-RBYGMMHOSA-N 411.545 5.264 0 1 HKAF Nc1ccc(-c2ccc3nc(-c4cccnc4NCc4ccccc4)[nH]c3c2)cc1N 587229620 JDYAXYIQCDQJIJ-UHFFFAOYSA-N 406.493 5.068 0 1 HKAF CCOC(=O)Cc1ccc2nc(-c3ccccc3Nc3ccccc3OC)[nH]c2c1 587240160 GHZULZMEPOBOAQ-UHFFFAOYSA-N 401.466 5.088 0 1 HKAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cn1 587247936 YSJLLQADSZGYTC-UHFFFAOYSA-N 407.699 5.025 0 1 HKAF C[C@@]1(c2ccc(F)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339625 ZDFNGKYIWVPWSK-UNMCSNQZSA-N 400.808 5.598 0 1 HKAF CC(C)Oc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345017 DLHJKELOINRQCL-UKILVPOCSA-N 406.453 5.593 0 1 HKAF CC(C)[C@]1(c2ccc3c(c2)CCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355869 GRIXMHHKEBWIFM-AZGAKELHSA-N 418.464 5.377 0 1 HKAF COc1cc2c3c(c1)O[C@@](Cc1ccc(Cl)cc1)(c1ccc(C)cc1)[C@@H](C2)C3=O 587421140 KHZPZEUJXCRMQZ-OFVILXPXSA-N 404.893 5.543 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1ccc(Cl)cc1Cl)CC2=O 587461422 KEDADDAJIMBWOJ-LJQANCHMSA-N 417.292 5.748 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccc(Cl)c1Br)CC2=O 587467350 TWSKLDULCVXPLF-OAHLLOKOSA-N 413.670 5.606 0 1 HKAF CCCC[C@H](CC)COc1ccc([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587481366 LSJLVHRZDMWMRY-PPHZAIPVSA-N 424.581 6.821 0 1 HKAF O=C1C[C@@H](c2ccc3cc(Br)ccc3n2)Oc2c1ccc1c2CCCC1 587496581 IUZFBCOHAZZTBB-NRFANRHFSA-N 408.295 5.583 0 1 HKAF CCCOc1cc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCC 587502743 DUWUYSZJVNZAGN-OAQYLSRUSA-N 414.929 6.113 0 1 HKAF O=C1C[C@H](c2cccc(Br)c2OC(F)F)Oc2c1ccc1c2CCCC1 587508113 RSYFRBFAXRXHAS-QGZVFWFLSA-N 423.253 5.636 0 1 HKAF C[C@H](C(=O)O)n1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587516642 ULEOMFDNTKCALO-SGANQWHYSA-N 403.478 5.046 0 1 HKAF C[C@@]1(c2c[nH]c3ccc(Cl)cc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552311 PYFBFTPQHSUYSZ-OFNKIYASSA-N 405.837 5.404 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3ccccc3Cl)c2)N1 587692132 AWDFAZZNHJLQCS-WYRIXSBYSA-N 420.713 5.051 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C(Cl)c3ccccc3CC2)N1 587706091 OSUIWRPMNVSNFC-BIBXISHDSA-N 406.726 5.760 0 1 HKAF Cc1ccc(-c2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 587814811 IZLGFKLMMKPMOS-VOIUYBSRSA-N 424.357 6.361 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H]2C(=O)c2ccccc2)N1 587818213 CSTVFLCSPCXCLB-FQWGINHLSA-N 402.307 5.001 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1c(F)cccc1Cl 587861622 VZAQAMYHZRCMSW-UHFFFAOYSA-N 412.770 5.253 0 1 HKAF COc1c(Cc2ccccc2)cc(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 587945301 LJQLXCAQPSQLLG-UHFFFAOYSA-N 407.416 5.853 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cccc(C)c2[nH]1 587959470 MCHYUUWKMQLWIX-ZACMJQCDSA-N 416.653 8.726 0 1 HKAF Cc1cc(-c2ccc(CC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3-4)cc2)ccn1 653714140 AKGSBPSNXKNEDJ-UHFFFAOYSA-N 404.469 5.450 0 1 HKAF CCOc1cccc([C@@H]2c3ccsc3CCN2Cc2cccn2C)c1OC(F)F 962401206 WICVPGNVPKBJCX-FQEVSTJZSA-N 418.509 5.234 0 1 HKAF C[C@H]1Cc2cc(Br)ccc2[C@@]12c1ccsc1CCN2Cc1ccco1 962701125 BOXBXFMJISURRA-LHSJRXKWSA-N 414.368 5.598 0 1 HKAF Cc1cccc([C@@]2(c3cccc(C)c3C)c3ccsc3CCN2Cc2ccco2)n1 962705194 KKVRWRKQOWOFMF-AREMUKBSSA-N 414.574 6.012 0 1 HKAF CCCN1[C@H](c2ccccc2N2CCC(C(=O)OCC)CC2)c2ccccc2C[C@H]1C 963238148 HWIAHHMPRMXVPI-IBVKSMDESA-N 420.597 5.212 0 1 HKAF CCC[C@H](C)N1CCC(N(Cc2ccccc2)C(=O)Nc2cccc(C(C)C)c2)CC1 1772627663 FEFYRZOTYUDMIE-QFIPXVFZSA-N 421.629 6.497 0 1 HKAF O=c1cc(-c2ccc(Cl)cc2)[nH]c2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn12 1857589797 UQCDRIICSOGSLJ-UHFFFAOYSA-N 424.209 5.682 0 1 HKAF COc1cc2[nH]ccc(=Nc3ccc(F)c(Cl)c3)c2cc1OCc1ccccc1C 1857751324 XDFLUOQTTBYOTL-UHFFFAOYSA-N 422.887 6.089 0 1 HKAF Cc1cc(O)c(C)c2c1O[C@H](C)[C@H](CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)C2 2356329201 XLZYQCZUAFIJEN-RRJCBXKSSA-N 416.690 8.388 0 1 HKAF CC1=C[C@H](CNCc2ccccc2)[C@H](C(C)C)C[C@@H]1Cc1nc2cccc(C)c2[nH]1 2356761299 VSXOCJFQZLURFB-SMIHKQSGSA-N 401.598 6.058 0 1 HKAF CC(C)(C)C(=O)C(c1ccc(-c2cscn2)cc1)c1ccc(-c2cscn2)cc1 1623842 AKOWATAHHUCAEN-UHFFFAOYSA-N 418.587 6.681 0 1 HKAF CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nn[nH]n1 5138176 ZFDATWDBAKWOKP-UHFFFAOYSA-N 413.525 5.456 0 1 HKAF COc1ccc([C@@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1OC1CCCC1 13741126 VDCCLROMAGBHQQ-LJQANCHMSA-N 404.510 5.128 0 1 HKAF Cc1cc(C)c(NC(=O)C(C)(C)CCCCCOc2ccccc2)c2c1CC(C)(C)O2 13747644 UXWPRBPBGZMQRR-UHFFFAOYSA-N 423.597 6.621 0 1 HKAF Fc1ccc(C(OC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c2ccc(F)cc2)cc1 13776240 YDSZXMRCXLHXST-IQCGEYIDSA-N 419.515 6.266 0 1 HKAF O=C(O)[C@@H]1CCCN(CCOC=C(c2cccc(Cl)c2)c2cccc(Cl)c2)C1 13800126 QCLBUCLRYTTZTN-GOSISDBHSA-N 420.336 5.196 0 1 HKAF CSc1nc(-c2cc(Cl)cc(Cl)c2)c(-c2cc(Cl)cc(Cl)c2)[nH]1 25977035 CIDDEHNHQXXVOL-UHFFFAOYSA-N 404.149 7.079 0 1 HKAF COc1ccc(-c2cc([C@H](O)[C@@H]3CCCCN3)c3cccc(C(F)(F)F)c3n2)cc1 27524278 OZJKNWOQEZCERX-UGKGYDQZSA-N 416.443 5.105 0 1 HKAF COC(=O)/C=C(C)/C=C/C(F)=C(C)/C=C/c1c(Cl)cc(OC)c(Cl)c1Cl 27860721 DMXCVJWKSGBUEW-KUMJBBQFSA-N 419.707 6.588 0 1 HKAF CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3c(F)cccc3n2)c1)C(=O)O 28098077 RHXDSNDNDGKMLP-UHFFFAOYSA-N 424.472 5.173 0 1 HKAF CCCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(C(C)C)ccc21 28527504 GNSAWYAGGAXSHN-UHFFFAOYSA-N 410.646 6.261 0 1 HKAF O=C1C[C@H](c2ccccc2)c2c(ccc3cc(-c4ccc5ccccc5c4)ccc23)O1 29135263 ADNPDNUBBZDGKI-AREMUKBSSA-N 400.477 7.101 0 1 HKAF Cc1cc(-c2ccc(-c3cc4cc(Cl)cc(Cl)c4o3)[nH]2)c(C)cc1C(=O)O 29472289 RWFRDOGAHHIFFL-UHFFFAOYSA-N 400.261 6.717 0 1 HKAF Cc1[nH]c(C)c(-c2ccc(Sc3ccc(Cl)cc3)cc2)c(=O)c1Br 45301328 FKLHTGQWQAAXTC-UHFFFAOYSA-N 420.759 6.226 0 1 HKAF C[C@H]1CN(Cc2cccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)c2)C[C@H](C)O1 45302506 CQGXTFIMCBLOMJ-ROUUACIJSA-N 415.512 5.645 0 1 HKAF CCCCC[C@@H](C)[C@H](C)c1cc(OC(N)=O)c2c(c1)OC(C)(C)C=C2c1ccncc1 45322410 QNQLTBALJDNJAP-MSOLQXFVSA-N 422.569 6.462 0 1 HKAF FC(F)(F)c1cccc2c(-c3ccc(Cl)cc3)n(Cc3ccccc3Cl)nc12 45497635 DTDVBYRJYQLMSF-UHFFFAOYSA-N 421.249 7.077 0 1 HKAF CCOC(=O)c1ccc(-c2cnc(N(Cc3ccccc3)c3ccccc3)s2)cc1 71329216 CZWHJDJFHMSBIS-UHFFFAOYSA-N 414.530 6.325 0 1 HKAF CCc1ccccc1[C@@H]1CCN(Cc2cccnc2)[C@@H](c2ccccc2)[C@H]1C(=O)OC 84394812 ZBQZNWQBHQXJGP-GSDHBNRESA-N 414.549 5.164 0 1 HKAF CCOP(=O)(OCC)[C@@H](Cc1ccc(F)c(F)c1)c1sc2ccccc2c1C 84619590 QVXXUZFSNZSAAQ-IBGZPJMESA-N 424.449 7.038 0 1 HKAF COc1ccc(SC[C@H](O)Cn2c(-c3ccccc3)cc3ccccc32)c(OC)c1 84688496 HGDNYAYFYZUTIU-HXUWFJFHSA-N 419.546 5.479 0 1 HKAF COc1cccc(OC[C@@H]2Cc3ccccc3CN2C(=O)c2cccc3ccccc23)c1 84758512 NJSDUCSZCWDKMD-QHCPKHFHSA-N 423.512 5.495 0 1 HKAF Nc1ncnc2c1c(-c1ccc(NC(=O)Nc3ccccc3)cc1)cn2C1CCCC1 95920873 WFPSCBQARGWGBI-UHFFFAOYSA-N 412.497 5.440 0 1 HKAF in-vitro Cc1ccc(-c2cccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c2)s1 101172158 ICCWQWBZIZLUKA-UHFFFAOYSA-N 403.503 5.334 0 1 HKAF Nc1c(C(=O)NC2CCCC2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 103241950 SEWHTJDTOOJHRV-UHFFFAOYSA-N 405.445 5.237 0 1 HKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(Nc2ccc(Br)cc2)nn1 103291029 NCRLZYKEYDRTGK-UHFFFAOYSA-N 408.221 5.977 0 1 HKAF OC1=C2C(=Nc3nc4ccccc4n3[C@@H]2c2cc(Br)ccc2F)CCC1 103538945 VVUGRJAYPXYABM-LJQANCHMSA-N 412.262 5.609 0 1 HKAF NC1(c2ccc(-c3nc4cc(Cl)c(Cl)cn4c3-c3ccccc3)cc2)CCC1 168213014 WLFAMTKOKLCOTJ-UHFFFAOYSA-N 408.332 6.313 0 1 HKAF COc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1 198246243 CALMFUDXDNPGQC-UHFFFAOYSA-N 411.461 5.088 0 1 HKAF CCCCc1cc(-c2ccc(OC)cc2)cc(C(=O)N[C@H]2CC[C@@H](C)CC2)c1OC 299860742 JTFJYYBSYWLXBV-CXGRPWHSSA-N 409.570 6.022 0 1 HKAF CC[C@H](C)Nc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccccc2F)n1 299879451 KSEJIORGIAFDGT-FJNUEJFBSA-N 424.564 5.294 0 1 HKAF CSc1cccc(N=c2[nH]c(-c3ccccc3)c(C(=O)c3ccccc3)s2)c1 473084052 FIDVACXXLSZCEU-UHFFFAOYSA-N 402.544 5.929 0 1 HKAF Cc1ccc(Cn2cc(C(=O)NN3CCCCC3)cc2-c2ccc(Cl)c(C)c2)cc1 473135289 HCANBHDXWIUIDF-UHFFFAOYSA-N 421.972 5.604 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4ncc(C(F)(F)F)cc4[nH]3)cc2)CC1 586879138 FHYLBWAPQRXNAU-WKILWMFISA-N 401.476 7.108 0 1 HKAF Cc1c(-c2ccc(F)c(C(F)(F)F)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586992469 GCIZUXXBIQQQBJ-UHFFFAOYSA-N 421.393 6.888 0 1 HKAF FC(F)(F)c1cccc2nc(COc3ccc4ccccc4c3Br)[nH]c12 587000722 KAZPIYZNOLNXIE-UHFFFAOYSA-N 421.216 6.076 0 1 HKAF N[C@H](c1ccsc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587025494 NCFDRSHYDQASQI-GOSISDBHSA-N 414.328 5.014 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc3c(cc2[nH]1)OCCCO3 587035256 QPSSZALUSSLWLP-OAHLLOKOSA-N 421.522 5.210 0 1 HKAF COc1cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2cc1OC 587051222 ZDFZWFHSQGOMCQ-UHFFFAOYSA-N 414.892 6.721 0 1 HKAF Fc1cnc(Cl)c2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c12 587054765 BJPRYMKDSYFCKF-UHFFFAOYSA-N 412.635 5.896 0 1 HKAF COC(=O)c1ccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1OC 587068963 CAFJEXXGDLNXAY-UHFFFAOYSA-N 422.868 5.258 0 1 HKAF Fc1cc(Br)cc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587074030 PCUXZBUJSDRJJY-INIZCTEOSA-N 408.702 5.455 0 1 HKAF CCCCC[C@@H](C(=O)OCC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097728 NSKSTOUFICNYOU-LJQANCHMSA-N 401.506 5.982 0 1 HKAF CCOc1cc(/C=C/c2nc3ccc(OC(F)(F)F)cc3[nH]2)ccc1OC(F)F 587131168 VILPFWLQZIGQCZ-XBXARRHUSA-N 414.330 5.632 0 1 HKAF Fc1ccc(/C=C/c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(F)c1 587149589 NLAXOQJUIQSDFN-QHHAFSJGSA-N 403.148 5.793 0 1 HKAF CC(C)CCOc1cc2nc([C@H](C)Oc3ccc(F)cc3)[nH]c2cc1Br 587169561 ZJBOYFIGQNQUAP-ZDUSSCGKSA-N 421.310 6.029 0 1 HKAF C[C@]1(CCc2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347768 PURDDGXNFFQTOO-AOYPEHQESA-N 415.464 5.763 0 1 HKAF CCC[C@]1([C@H]2CCOC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350741 GZWAHAWGXYICQN-CBCWYDDASA-N 412.501 5.634 0 1 HKAF CCCCc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587356296 PWZKQCLVROFWNF-AHWVRZQESA-N 404.481 6.148 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(F)c(C(F)(F)F)c1)O2 587381979 LTVXBGOAOAWMQV-JOCHJYFZSA-N 415.386 5.644 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(C)(C)C)cc3)o1)CC2=O 587486323 XIOJACBWLMEDFN-XMMPIXPASA-N 404.506 6.609 0 1 HKAF C[C@]1(c2cc3cc(Br)ccc3o2)CC(=O)c2ccc3c(c2O1)CCCC3 587495670 FLXIPOKZUWOVPI-JOCHJYFZSA-N 411.295 5.955 0 1 HKAF O=C1C[C@@H](c2ccc(-n3cc(Br)cn3)cc2)Oc2c1ccc1c2CCCC1 587498624 OVUHJKALGNYMSL-NRFANRHFSA-N 423.310 5.220 0 1 HKAF Cc1c(Br)cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542062 WKGDVPKTLNURTA-RXVVDRJESA-N 411.251 5.166 0 1 HKAF C[C@@]1(c2ccc(F)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551297 ZKYJHQMPPJIKRI-NQIIRXRSSA-N 418.342 5.427 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccc(Cl)cc2)on1 587552169 OAWVVSMWCYFCGQ-NFBKMPQASA-N 419.820 5.404 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1CN1CCCCC1 587590890 CZQXABMNSSVKAQ-OZXSUGGESA-N 415.489 5.081 0 1 HKAF C[C@@]1(c2ccc(C3CCCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601421 FXAOUTAQOFCCOP-SQHAQQRYSA-N 414.501 6.317 0 1 HKAF COc1cccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 587603067 ZRKUTJFNYYWIOT-SQHAQQRYSA-N 424.452 5.771 0 1 HKAF CSc1ccc2c(c1)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611590 GREPLQWZQTTXFP-XUZZJYLKSA-N 404.487 5.308 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@@H](C)NC(=O)OC(C)(C)C 587625836 OIDUVTODPFDZSP-SECBINFHSA-N 410.358 6.100 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3c(Cl)ccc(F)c3Cl)c2c1 587643173 SILNKEGOCFYFGG-JTQLQIEISA-N 422.283 6.145 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)c(N)c(Cl)c2)N1 587697504 WISHTZAPQBRIAP-WNWIJWBNSA-N 418.137 5.275 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2c(F)cccc2Cl)N1 587722108 QTBDQFYBSUVRDS-MLCYQJTMSA-N 400.694 5.589 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(F)cc2)N1 587737468 XSODQWBOQACRAJ-ODXCJYRJSA-N 403.270 5.142 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3ccncc3)c2)N1 587778902 OSFKKYNDUAJGFA-FPTDNZKUSA-N 411.318 5.448 0 1 HKAF CCC[C@@H](CC1(c2nc3ccc(CC)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782656 WKEOPXKMQKVMPF-QFIPXVFZSA-N 418.581 6.487 0 1 HKAF Cc1ccc(C)c(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587796023 PNBVUPWEJARTQE-XCLFUZPHSA-N 414.322 5.219 0 1 HKAF CCCCCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587798021 XEJNVXNCFGDNPR-IVZQSRNASA-N 420.366 6.171 0 1 HKAF Cc1cccc(-c2nc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cs2)c1 587854284 SMRSEEGYJPWXMW-BLVKFPJESA-N 417.347 5.644 0 1 HKAF COC(=O)c1cc2nc(CCc3cccc(OC)c3)[nH]c2c(F)c1Nc1ccccc1 587931200 MSDJZZZKUXZGOY-UHFFFAOYSA-N 419.456 5.026 0 1 HKAF CC(C)COc1cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2cc1Br 587969726 VRFQQEHUTQPKJM-OXAAKOFDSA-N 417.347 5.007 0 1 HKAF C[C@H](Oc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)c1c(Cl)cncc1Cl 653827651 AZEJCKFRNKNLKB-NSHDSACASA-N 424.291 5.948 0 1 HKAF CC[C@H](C)NC(=O)c1cc([C@]2(C3CC3)NCCc3cccc(-c4ccccc4)c32)c[nH]1 962662867 MMOABLWEMXTKPW-MYUZEXMDSA-N 413.565 5.009 0 1 HKAF CSc1ccc(-c2cccc([C@H]3NCCc4cccc(-c5ccccc5)c43)n2)cc1 962666898 UALPTSXJJKGIOJ-HHHXNRCGSA-N 408.570 6.373 0 1 HKAF COc1ccc2c(c1)[C@H](c1ccc(C(F)(F)F)c(Br)c1)N[C@@H]1CC[C@@H]21 962997092 QJCKXPYWHGCNMV-VHSSKADRSA-N 412.249 5.415 0 1 HKAF CCn1cc([C@@]2(C(F)(F)F)NCCc3c(OC)ccc(Cl)c32)c2ccccc21 963270574 PLSYQNUXRCOLPJ-HXUWFJFHSA-N 408.851 5.275 0 1 HKAF COc1cccc(Cl)c1-c1cc(F)cc([C@@H](CC(=O)O)c2ncc(C)s2)c1 1772615212 DTRWQYWPHNOEGR-OAHLLOKOSA-N 405.878 5.526 0 1 HKAF Clc1ccc(CNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 1772626700 UPIKNPLVSXIMOO-UHFFFAOYSA-N 402.889 5.624 0 1 HKAF O=C(O)c1cc(N(Cc2ccccc2Cl)Cc2ccccc2Cl)ccc1O 1772636365 FPSHMGPOAKIFTM-UHFFFAOYSA-N 402.277 5.604 0 1 HKAF CSc1ccc(Nc2nc(=NC(C)C)nc(Nc3ccc(SC)cc3)[nH]2)cc1 1772652669 HIYXIRMIMUXOOV-UHFFFAOYSA-N 412.588 5.045 0 1 HKAF O=C(Nc1nc2cc(-c3cccc(CO)c3)ccc2s1)c1ccc(F)cc1Cl 1911584803 OZCGVZFOTBUKOL-UHFFFAOYSA-N 412.873 5.500 0 1 HKAF CC(C)=CC(=O)OCC1=CCC[C@H]2[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@]12C(=O)O 2356421127 AKEJQJWVKAMFBO-LGHCQICFSA-N 414.542 5.565 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCCC(C)(C)[C@@H]1CC3 2356432053 OJTUSJZQVLETGQ-IRRJQVRUSA-N 410.730 9.508 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1C(=O)CC[C@@]2(C)[C@H]1CC[C@H]2[C@H](C)CC[C@@H](C)C(C)C 2356468706 NNSREHRCNOEXOH-UCIKBRNLSA-N 412.658 7.353 0 1 HKAF C[C@@H]1CC[C@]2(C)[C@@H]3CC=C4[C@@]5(C)CC(C)(C)CC[C@@]5(C)CC[C@]4(C)[C@@H]3CC[C@@H]2C1(C)C 2356550098 KZDKZGPACCJOQH-MZMNCGMWSA-N 424.757 9.444 0 1 HKAF CC(C)CCC[C@](C)(O)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4CCC=C[C@]4(C)[C@H]3C(=O)C[C@@]21C 2356584074 RZWSJYQJDMMWTQ-BPOYUWAGSA-N 414.630 5.747 0 1 HKAF CC[C@@H](CCC(C)=C1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356671518 BRVYWOZQRGZTAN-DNCDMCMCSA-N 412.702 8.089 0 1 HKAF Cc1nc(NC(=O)c2ccco2)sc1-c1csc(Nc2ccc(Cl)cc2)n1 8672446 QKEWXZJHCYKZLR-UHFFFAOYSA-N 416.915 5.817 0 3 HKAF CN(C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)C1CCCCC1 12297175 JETNSVMAGRKFME-UHFFFAOYSA-N 420.597 5.177 0 3 HKAF Fc1cccc(Cc2c(-c3ccccc3)nc3c(Cl)cc(C(F)(F)F)cn23)c1 95602374 ODXPHJOUACCYPX-UHFFFAOYSA-N 404.794 6.403 0 3 HKAF O=C(OCc1ccccc1)N1CC[C@H]2C[C@H]1c1cc(NCCc3ccccc3)ccc12 102876330 JURUHTNYTBTIQN-NVQXNPDNSA-N 412.533 5.912 0 3 HKAF CC(C)(C)C(=O)Oc1c2c(c(OC(=O)C(C)(C)C)c3cc(Cl)ccc13)OCCO2 603459 INESTFILLPMMJU-UHFFFAOYSA-N 420.889 5.167 0 1 HKAF CCCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(OC)cc1OC 2484884 GVSAMGVMQZLVRQ-UHFFFAOYSA-N 414.889 5.209 0 1 HKAF COc1c(-c2coc3cc4c(cc3c2=O)C=CC(C)(C)O4)ccc2c1C=CC(C)(C)O2 3203188 JANOATQYNVFIDV-UHFFFAOYSA-N 416.473 5.837 0 1 HKAF biogenic C[C@H]1C(=O)c2c([nH]c3ccc(Cl)cc3c2=O)C[C@@H]1c1ccc(Cl)c(Cl)c1 27082935 OABGRILNAUDEHD-SKDRFNHKSA-N 406.696 5.647 0 1 HKAF CCC[C@@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc21 28566124 TWGPITPOBFPBHR-DHIUTWEWSA-N 419.521 5.802 0 1 HKAF O=C(Nc1ccccc1)c1cnc(-c2ccccc2Cl)c(-c2ccccc2Cl)n1 28648941 OTQMQCJNTMMDQF-UHFFFAOYSA-N 420.299 6.370 0 1 HKAF OC1(c2ccccc2)CCN([C@H](c2ccccc2)c2ccc(Br)cc2)CC1 28708212 YOAVUYWZADOFCT-HSZRJFAPSA-N 422.366 5.522 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC1[C@H](O)CCC[C@H]1O 28952489 XZCGVHQBCITDBO-YLHRXIQASA-N 418.618 5.950 0 1 HKAF CC(C)C[C@@H](C(=O)O)c1ccc(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1 43203472 KFCPNHDJLPISTI-HXUWFJFHSA-N 406.444 6.376 0 1 HKAF Fc1ccc(Sc2cc3ccccc3[n+](CCCCCc3ccccc3)c2)cc1 71317871 VSIHEUYMCMPCIK-UHFFFAOYSA-N 402.558 6.831 0 1 HKAF Cc1cccc(-c2nc(NCc3ccccc3)ncc2C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 82146716 DUCDKUZKZVONSD-PMACEKPBSA-N 414.553 5.182 0 1 HKAF CCCCNC(=O)c1cnc(N2CCCCC2)nc1-c1ccc(-c2ccccc2)cc1 82153358 UPHHVZPHWKCCEM-UHFFFAOYSA-N 414.553 5.331 0 1 HKAF CC(C)(C)c1cc(-c2ccc(C(=O)N3CCCCC3)s2)cc(C(C)(C)C)[s+]1 84741067 XAVKIKXQOMPBRP-UHFFFAOYSA-N 402.649 6.979 0 1 HKAF C[C@H]1[C@@H](O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@](C)(Cc3c[nH]c4cc(O)ccc34)[C@H](C)CC[C@@]21C 85599911 NWKNHNUJGTXAFZ-ADWYLOCUSA-N 423.641 6.682 0 1 HKAF COc1cc(-c2nc(C3CCC3)n3ccnc(N)c23)ccc1Sc1ccccc1 96168214 COPKFJOKUSLBBQ-UHFFFAOYSA-N 402.523 5.406 0 1 HKAF CCCCCCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 103263473 HRTLBZVGTHASTK-UHFFFAOYSA-N 416.566 5.148 0 1 HKAF FC(F)(F)CNCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 145529515 CUAAOVGNPUEZHW-SFHVURJKSA-N 420.456 5.654 0 1 HKAF O=C(Nc1ccc(O)cc1)c1ccc2c(-c3nc4cc5ccccc5cc4[nH]3)n[nH]c2c1 166652399 MCDBKQGFOXZIAL-UHFFFAOYSA-N 419.444 5.217 0 1 HKAF CCSCCCCCCCCCCCCCCCCOc1ccc(C(=O)O)cc1 169344819 KENYUKLXZBHUOD-UHFFFAOYSA-N 422.675 7.978 0 1 HKAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 586885662 COXCIEAEQMVNBK-QLJPJBMISA-N 402.338 5.746 0 1 HKAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(OCc3ccccc3)cc2[nH]1 586915765 HORDLYCVWPWHIC-LVXARBLLSA-N 412.489 5.358 0 1 HKAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)cc1 586938003 IGIVYAAPIKYHBJ-MRXNPFEDSA-N 421.522 5.099 0 1 HKAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc5c(c4[nH]3)CCCC5)c2C1 587035432 WLAINSWHPCMPAE-UHFFFAOYSA-N 409.555 5.463 0 1 HKAF Cc1c(Cl)ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 587068163 JIHWSPLYAIFPAK-UHFFFAOYSA-N 409.276 6.291 0 1 HKAF CC(C)Oc1cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2cc1Br 587084160 IDRZVAWFABMTCQ-UHFFFAOYSA-N 401.091 5.481 0 1 HKAF CCCCCc1cc2c(s1)CCc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O 587102733 XHQJWIDKJJBPGL-UHFFFAOYSA-N 423.581 7.314 0 1 HKAF FC(F)(F)c1cc2nc(-c3ncccc3C(F)(F)F)[nH]c2cc1Br 587109586 ZMKOYDFYVHSKAL-UHFFFAOYSA-N 410.115 5.425 0 1 HKAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C)cc(C)c4[nH]3)nc2n1 587115304 RZNSPGKOXYJWEY-UHFFFAOYSA-N 419.476 5.646 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1F 587149058 FZHCYGIJZQYQAN-IBGZPJMESA-N 405.231 6.316 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1F 587150161 KYKCIIWOZVJCCV-JOCHJYFZSA-N 408.404 5.171 0 1 HKAF O=C(O)CC1=C(c2ccccc2)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587206794 NFOGWVJPPZLAIZ-UHFFFAOYSA-N 403.437 5.388 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCSc3ccc(F)cc32)[C@@H]1c1ccc(F)cc1 587334169 LODOJUWXQLRKOU-GGAORHGYSA-N 410.441 5.421 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccccn2)(C2CCCCC2)[C@H]1c1ccc(F)cc1 587341376 WLGWVSZCMPCVOC-AHWVRZQESA-N 417.480 5.761 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)c(OCc3ccccc3Cl)c(C)c1)O2 587377394 HIUPDMPBBVGRNE-QHCPKHFHSA-N 421.924 6.133 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)ccc(C(F)(F)F)c1F)O2 587383340 WGCSLHDZXYWTHO-CYBMUJFWSA-N 418.184 5.204 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ccc1OCc1ccc(F)cc1)O2 587384950 QESYOIVNYYWQRN-JOCHJYFZSA-N 411.860 5.655 0 1 HKAF CCC[C@@]1(c2ccc(Br)c(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587412042 GXCFGBYZRHJPCD-IERDGZPVSA-N 401.300 5.209 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cnccc1-c1cccc(Br)c1)[C@@H](C2)C3=O 587419991 VLAUILLNEZATMY-JTSKRJEESA-N 422.278 5.008 0 1 HKAF O=C1C[C@@H](c2cc(F)c(Br)cc2Cl)Oc2c1ccc1c2CCCC1 587502492 DXNRYJCPGXRQNI-SFHVURJKSA-N 409.682 5.827 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1ccc(F)cc12 587572858 XEHPMPHSSWXFII-BVAGGSTKSA-N 410.400 5.417 0 1 HKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC1CC1 587596933 XIDGLHUCBMTCHL-WIOPSUGQSA-N 402.446 5.192 0 1 HKAF CCCCCC1CCC(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CC1 587659850 GFMDMVBEGNWNND-UHFFFAOYSA-N 420.528 6.230 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ccc3ccncc23)N1 587694310 HAUJJWAVBATPPN-DGIBIBHMSA-N 405.698 5.413 0 1 HKAF CCOc1nc2ccccc2cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587776436 CPDZJCVXDWWAIS-FKIZINRSSA-N 415.306 5.159 0 1 HKAF CCCCOc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587789459 CCEKIDHNWMNWEB-SPLOXXLWSA-N 406.339 5.565 0 1 HKAF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(C)C 587791894 JIVMXLKALUXURU-ZSEKCTLFSA-N 422.338 5.255 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(c2ccccc2)c2ccccc2)N1 587812797 KQXIWIMNWYXERB-GYCJOSAFSA-N 424.357 6.170 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ccc(C(C)(C)C)cc32)N1 587816835 DVTPQSBDBVJBSR-FATZIPQQSA-N 416.378 6.000 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1COc1ccccc12 587835138 NQKNQOPSBDGQAG-QKFKETGDSA-N 424.313 5.307 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SC(C)(C)C)cc2)N1 587841157 QDABFAMVLFJXLW-HXPMCKFVSA-N 408.380 6.102 0 1 HKAF COc1ccc(-c2ccc(-c3nc4c(Br)cncc4[nH]3)cc2)cc1OC 587929611 YUOUNRWXICBGJH-UHFFFAOYSA-N 410.271 5.072 0 1 HKAF COc1cccc(-c2cccc(-n3c(O)cc(-c4ccc(C(C)(C)C)cc4)c3O)c2)c1 587936442 CTTSUDAUACTNNQ-UHFFFAOYSA-N 413.517 6.529 0 1 HKAF Clc1cc(Br)cc(-n2c(-c3cccs3)ccc2-c2cccs2)c1 587939301 AKNZLMKOIRODEJ-UHFFFAOYSA-N 420.784 7.350 0 1 HKAF O=C(Nc1ccccc1)Nc1ccc(Oc2ncnc3c2cnn3-c2ccccc2)cc1 653755958 KYDYUJMHKXBXPP-UHFFFAOYSA-N 422.448 5.252 0 1 HKAF CCOC(=O)CCCC[C@]1(c2c(F)cccc2Cl)NCCc2cc(C)c(F)cc21 962147329 OUBFULPVTKRVFX-QHCPKHFHSA-N 421.915 5.439 0 1 HKAF CCOc1cc([C@@H]2c3ccsc3CCN2Cc2cccn2C)ccc1OC(C)C 962400066 SCRDWVJHXAXBGB-XMMPIXPASA-N 410.583 5.420 0 1 HKAF COc1ccc2c(c1OC)[C@](c1ccnc(Cl)c1)(C1CCCC1)N(C)[C@H](C)C2 962624149 DPGVVKLZOJEGBZ-IQMFZBJNSA-N 400.950 5.062 0 1 HKAF CCCC[C@H](CC)CC[C@]1(CC(C)C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962699365 HERCSQZDIJTGHM-VRUMLPLGSA-N 419.694 7.427 0 1 HKAF Cc1cc(C)cc(CC[C@@]2(C3CC3)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962730207 MJISXFUICRYWNJ-GGAORHGYSA-N 401.472 5.187 0 1 HKAF O=C(O)CCCCC[C@@]1(c2ccc(F)cc2)NCCc2c(Cl)cc(Cl)cc21 963101481 BMYNZLDYRGAYJC-NRFANRHFSA-N 410.316 5.557 0 1 HKAF Cc1cccc2c1nc(NC(=O)c1cccc(C(F)(F)F)c1)n2[C@H]1CC[C@H](O)CC1 1772629847 RNUPNZIBAJHWTG-QAQDUYKDSA-N 417.431 5.092 0 1 HKAF CCOc1ccc2c(-c3ccc(OC)nc3)c(CO)n(Cc3ccccc3Cl)c2c1 1857610980 FGKJAFNLSUMPLE-UHFFFAOYSA-N 422.912 5.305 0 1 HKAF Cc1cc(=O)oc2cc(OCCCCCSC(=S)N3CCCCC3)ccc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c1cc(O)cc(-c2cccnc2O)c1O 2356824609 GWMPSZIOAYAGPH-RNKGKRHBSA-N 407.554 6.207 0 1 HKAF CCCC[C@H]1[C@@H]2C[C@H]([C@H](OC(=O)Nc3ccc(C(F)(F)F)cc3)C2)[C@H]2CCCCN12 203468381 ZJAZDJZVUHORGV-YNUHATHGSA-N 424.507 6.076 0 3 HKAF CCN1C(=O)c2ccccc2Sc2ccc(NC(=O)c3ccc(C)c(F)c3)cc21 8600666 FHQGXNLZIHIZGG-UHFFFAOYSA-N 406.482 5.518 0 1 HKAF CC(C)c1cc(-c2ccc(F)cc2)c(OC[C@H]2C[C@@H](O)CC(=O)O2)c(C(C)C)c1 26751814 JMEOINPEUMGNEF-WOJBJXKFSA-N 400.490 5.185 0 1 HKAF in-vitro CC(=O)N[C@@H](CSC/C=C(\CC=C(C)C)CC/C=C(\C)CCC=C(C)C)C(=O)O 28528229 VQFNFRQNLQVQIW-YDBAKGBQSA-N 421.647 6.065 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)c1coc(Cc2c(Cl)cccc2Cl)n1 28530994 RUMCIHWDSPDESS-UHFFFAOYSA-N 415.198 5.843 0 1 HKAF FC(F)(F)c1cc(CO[C@H]2CCCC[C@H]2c2ccccc2)cc(C(F)(F)F)c1 28764779 XICQUSHDCDGLOA-OALUTQOASA-N 402.378 6.967 0 1 HKAF Cc1cc(C)c2oc(-c3ccc(NC(=O)COc4cccc(C(C)C)c4)cc3)nc2c1 29049607 RSOKYMNPOYOUPS-UHFFFAOYSA-N 414.505 6.253 0 1 HKAF C[C@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@H](N)c2ccccc2)c1 39297376 NBDIZIFCDBWQLF-MWVDVNALSA-N 404.642 6.663 0 1 HKAF CC(C)CCC[C@@](C)(O)[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 40164533 PRZXKPDANWDCNC-BBMUWPEZSA-N 418.662 5.619 0 1 HKAF endogenous,in-man Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccc(C(F)(F)F)cc3)=N2)cc1 40425190 QOBPPRGISYRJFE-UHFFFAOYSA-N 402.366 5.277 0 1 HKAF NC(=S)Nc1cccc(OCCCCCOc2cccc(Oc3ccccc3)c2)c1 45506547 MGEHPCHKJZCFRV-UHFFFAOYSA-N 422.550 5.763 0 1 HKAF COc1cc(C(=O)c2sc3ccccc3c2-c2ccc(F)cc2)cc(OC)c1OC 66259747 RIROTTKJWFBYKE-UHFFFAOYSA-N 422.477 5.964 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CC[C@H]3CCCC[C@H]3C2)C(C)(C)CCC1 72110295 ABLHXYIGRFMVBV-LWCXKTTJSA-N 421.669 7.557 0 1 HKAF Cc1ccc(Sc2ccccc2)c(Nc2ncnc3nc(CC(C)C)ccc23)c1 73294458 PTYBWOJOXMWGOR-UHFFFAOYSA-N 400.551 6.427 0 1 HKAF CCCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccccc2)n1 82132390 OMDOMDYXVWGTTQ-LMQGHGSNSA-N 406.574 5.156 0 1 HKAF CCCCCc1nc(-c2cnc(NCC3CCCCC3)nc2-c2ccco2)oc1C 82165483 YDMLNBBAUDOANR-UHFFFAOYSA-N 408.546 6.425 0 1 HKAF CC[C@@H](C)Cn1c(C2CCCCC2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181255 LXQHNBLSDBSKHF-MRXNPFEDSA-N 411.981 6.186 0 1 HKAF Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1cc(C(F)(F)F)ccc1Cl 95565476 LDAPVYZDYRUOCT-UHFFFAOYSA-N 421.850 5.020 0 1 HKAF O=c1c(/C=C/[C@H](O)c2ccc(O)cc2)coc2cccc(OCC3CCCCC3)c12 95597223 UJGPSBOMIURMMK-KVDXNUTJSA-N 406.478 5.205 0 1 HKAF Cc1c(Cl)cccc1Oc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 116591294 PHIMQWNDIYGVRS-ZFWWWQNUSA-N 413.823 5.673 0 1 HKAF O=C(Nc1ccc([C@H]2CCN(CCc3ccccc3)C2)cc1)c1ccc(Cl)cc1 117801189 PQHIFJRRKLHWSM-QFIPXVFZSA-N 404.941 5.624 0 1 HKAF C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118937145 ARTLJRSXUMKHFS-LVNBCGQYSA-N 412.702 8.233 0 1 HKAF endogenous,in-man O[C@H]1CCC[C@H](c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)C1 139182476 HHGBPGARRHXTDJ-WMZOPIPTSA-N 417.534 6.246 0 1 HKAF CCCC(=O)N[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1 141922634 SMSFNRPHHCKBGZ-LLPCUEEJSA-N 418.625 6.323 0 1 HKAF c1cnc(Oc2ccc(Nc3nc4ccccc4s3)cc2)c(C2CCOCC2)c1 143420576 NYQRKBPJZGVWOL-UHFFFAOYSA-N 403.507 6.121 0 1 HKAF CC(C)(C)NC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1-c1ccc(F)cc1 144339535 UUAJWWQHNHXSIP-HSZRJFAPSA-N 416.496 5.105 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCCC(=O)N1Cc1cccc(-c2ccccc2)n1 167574660 IEYYLRXQRJUCOL-QFIPXVFZSA-N 416.521 5.410 0 1 HKAF O=C(Nc1ccccc1)c1cc(CNc2ccccc2)cc(CNc2ccccc2)c1 203054385 DCWGDRBHWMQHFS-UHFFFAOYSA-N 407.517 6.163 0 1 HKAF COc1ccc(-c2coc3c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c3c2=O)cc1 238767549 UPVNYHANFGDDGX-UHFFFAOYSA-N 420.505 5.897 0 1 HKAF CCCn1c2cc(OCc3ccccc3)ccc2c2cc[n+](CCC(C)C)c(C)c21 299844647 NXXKBIVCSDZOMM-UHFFFAOYSA-N 401.574 6.426 0 1 HKAF Cc1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cc1Br 587029172 JMUGVZGNGQAXOS-UHFFFAOYSA-N 400.301 5.336 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cccc(C(C)(C)C)c2[nH]1 587035447 UJUGLSUTFUPMDO-SFHVURJKSA-N 405.567 6.346 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 587050886 RCDJHSVTVNNOAQ-DTWKUNHWSA-N 405.634 6.813 0 1 HKAF Clc1cc(Cl)cc(-c2cncc(-c3nc4nc(Br)c[nH]c-4n3)c2)c1 587067442 ACLWIDHSXLAXPZ-UHFFFAOYSA-N 421.085 5.103 0 1 HKAF Clc1cccc(COc2ccc(-c3nc4c(Cl)nc(Cl)cc4[nH]3)cc2)c1 587068881 AZHVXTMHQYIGGP-UHFFFAOYSA-N 404.684 6.164 0 1 HKAF CCOC(=O)[C@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)-c2ccccc21 587107259 REFYHGSRNXUYDR-FQEVSTJZSA-N 405.453 5.316 0 1 HKAF Fc1ccc2c(-c3nc4c(Br)ccc(Br)c4[nH]3)coc2c1 587174921 NXYSSSPFFFDAML-UHFFFAOYSA-N 410.040 5.640 0 1 HKAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1 587203370 MWGJFCNMEDDMND-UHFFFAOYSA-N 404.392 5.099 0 1 HKAF O=C(c1cc(Br)cc(Br)c1)c1coc2ccc(Cl)cc12 587276819 WORQTKDQSCPJMI-UHFFFAOYSA-N 414.480 5.842 0 1 HKAF Cc1cccc(C)c1OC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346609 JUBFBCOQTSMFKE-DHLKQENFSA-N 406.453 5.345 0 1 HKAF CC(C)=C1Oc2cc(O)ccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587361171 XUEPZMBCXZIFHB-RCZVLFRGSA-N 418.420 5.178 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1OCCC(C)C)O2 587376801 KNICEUMYVXMCNV-FQEVSTJZSA-N 418.331 5.471 0 1 HKAF Cc1ccc(C(=O)[C@H](C)Oc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 587401058 PVBIOYXYUNYHMB-BXKMTCNYSA-N 415.489 5.242 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(c1ccccc1Cl)CC2=O 587463757 YYCLRNLEKQSERO-VWLOTQADSA-N 422.908 5.916 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccccc3[S@](C)=O)cc1)CC2=O 587494382 WZMWJCVGUPQEQG-DJUQAAIZSA-N 420.530 5.456 0 1 HKAF C[C@]1(c2ccc(I)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587502864 FTGNNZBJKICBGV-GOSISDBHSA-N 424.303 5.112 0 1 HKAF O=C1C[C@@H](c2ccc(-c3ccccc3C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587505701 IFZDQDOTCPYRNA-DEOSSOPVSA-N 422.446 6.958 0 1 HKAF Cc1cc(F)ccc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587566903 BSNMDJLIZXDTDI-RCZVLFRGSA-N 416.404 5.803 0 1 HKAF CCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCC)c1 587597240 QGIAXOMNTFQFRI-RCZVLFRGSA-N 420.461 5.067 0 1 HKAF O=Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 587602337 JIESEOOFWIYLDT-RPLLCQBOSA-N 422.436 5.575 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1-c1ccsc1 587616539 DLKOHXDWADFLKH-CVDCTZTESA-N 401.443 5.219 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1ccsc1 587616942 HPICPJCIHCWBAI-QPPBQGQZSA-N 400.455 5.824 0 1 HKAF CCOC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccc(C(F)(F)F)cc1 587624261 IAQYFQRVYGDPEO-UHFFFAOYSA-N 409.791 5.556 0 1 HKAF CN1CCN(c2c(-c3ccc(Br)cc3)[nH]c3cc(Cl)c(F)cc23)CC1 587627760 AKRCVPJPDXJRGU-UHFFFAOYSA-N 422.729 5.142 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C)c(CN(Cc3ccccc3)C(=O)OC(C)(C)C)c2c1 587642790 OTXRIRHCDFSMLU-GOSISDBHSA-N 406.570 6.927 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cc(Cl)ccc3n2)N1 587697853 MZYFCAKIYWWIJV-GIGQVBGESA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccco2)N1 587700029 LHQHTNOBZZPSSK-MPBGBICISA-N 420.709 5.661 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cccc2OC(F)F)N1 587717063 KKPLPLMNGLWGHO-BCTVWOGZSA-N 420.656 5.467 0 1 HKAF Cc1cc(C)cc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587753466 JBWYJMNVNMHMNW-NYHFZMIOSA-N 413.334 5.619 0 1 HKAF Cc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)o1 587832162 YWPRRUWHJSLYBJ-LAJNKCICSA-N 400.291 5.780 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2cccs2)N1 587844888 CNPIHCCXTLYPJV-SZNDQCEHSA-N 416.359 5.670 0 1 HKAF CCCCCOc1cc2nc(-c3ccc(C)cc3OC)[nH]c2cc1Br 587924951 HQYGPFFSBRIAAR-UHFFFAOYSA-N 403.320 5.878 0 1 HKAF COc1ccccc1Oc1c(Cl)cccc1-n1c(OC)cc(C(C)=O)c1OC 587941633 QSPAHFPGUMRTQL-UHFFFAOYSA-N 401.846 5.151 0 1 HKAF COc1ccc2c(c1OC)[C@@](C)(c1cccc(Oc3ccccc3)c1)N(C)[C@@H](C)C2 962639682 QQVRBSCZQYQJDB-HFJWLAOPSA-N 403.522 5.636 0 1 HKAF Cc1nc([C@]2(C(F)(F)F)NCCc3cccc(-c4ccccc4)c32)c2ccccn12 962658786 DYAFAJHGAHAOKL-HSZRJFAPSA-N 407.439 5.261 0 1 HKAF Cc1ccc(C(=O)[C@@]2(c3ccc(C)cc3)NCCc3cc(-c4ccccc4)ccc32)cc1 962662998 DKDWXCXPZABBRF-PMERELPUSA-N 417.552 6.243 0 1 HKAF COc1ccc([C@@]2(C)c3ccsc3CCN2Cc2ccco2)cc1Br 962712768 OGYIQLPSLAAYHE-FQEVSTJZSA-N 418.356 5.434 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(Cl)cc2)(c2ccc(C)nc2)N1 962946763 JDBMVWCATRLMAS-CPJSRVTESA-N 401.941 5.741 0 1 HKAF Cc1cccc([C@]2(CC(C)(C)C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1C 962986438 BXRBNURCQJNCHW-JPYJTQIMSA-N 421.915 5.514 0 1 HKAF CCCCC[C@]1(CP(=O)(OCC)OCC)c2ccc(F)cc2C[C@H]2CCCN21 963099630 APVADXXAOVYQHJ-IRLDBZIGSA-N 411.498 5.888 0 1 HKAF Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@]23NCCc2c(Cl)cc(Cl)cc23)cc1 963113202 VPOLIIVOKMZOKJ-NHCUHLMSSA-N 424.393 5.059 0 1 HKAF Clc1ccc(Nc2cc(C(Cl)(Cl)Cl)nc3ccccc23)c(Cl)c1 1772652977 MTYQEDPVLSCVFA-UHFFFAOYSA-N 406.527 7.112 0 1 HKAF CC[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857551563 UPJSPVUFOOUJHO-XWXSNNQWSA-N 402.663 6.504 0 1 HKAF Fc1cc(Cl)ccc1Nc1ncnc2sc3c(c12)CCN(Cc1ccccc1)C3 1857618652 NFXYCXAQERFXPQ-UHFFFAOYSA-N 424.932 5.786 0 1 HKAF Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccccc2)c1C(=O)c1cccc(Cl)c1 1857748087 UDCVARQBBWUVAS-UHFFFAOYSA-N 400.865 5.379 0 1 HKAF CC(C)=CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@@]21C 2356536000 MTLNAKDBXBYDNX-PLQBMVPBSA-N 412.702 7.779 0 1 HKAF CC1=C[C@H](CNC(=O)C2CCCCC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(C)cc2[nH]1 2356647352 JLYVYGVEWUYESF-ZRBLBEILSA-N 421.629 5.965 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356803065 WRNDTGGWXREMJF-BSDFBTQNSA-N 414.674 6.382 0 1 HKAF CC[C@@H](C)C(=O)Nc1nc(C)c(-c2csc(Nc3ccc(Cl)cc3)n2)s1 8691901 OKPAFAPNAXUWDH-SNVBAGLBSA-N 406.964 5.957 0 3 HKAF O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1Cc2c(-c3ccccc3)ccnc2O1 61927803 PNOLQUWGZZXKOG-GOSISDBHSA-N 418.802 5.363 0 3 HKAF CCC(CC)[C@@H](C(=O)NCc1ccccc1)N(C)Cc1ccc(Cl)c(Cl)c1 95568730 SUULFJPUJWTZEL-NRFANRHFSA-N 407.385 5.546 0 3 HKAF COc1ccc2[nH]c3c4c(cc(-c5ccccc5)c3c2c1)C(=O)N(c1ccccc1)C4=O 1629567 IZGXHTJXRTYOSU-UHFFFAOYSA-N 418.452 5.797 0 1 HKAF O=C(CCc1cc(-c2ccc(F)cc2)n[nH]1)N(Cc1ccccc1)Cc1ccccc1 5546103 ZNRRRQPMAWDTJI-UHFFFAOYSA-N 413.496 5.377 0 1 HKAF CC1(C)c2cc(O)c(CCCOc3ccccc3)cc2O[C@@H]1CCc1ccccc1 13453256 KLDYTBQCBXQCSW-AREMUKBSSA-N 402.534 6.075 0 1 HKAF Cc1cc(C)cc([C@H](O)/C=C2\C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 13901735 OZBJHOWASPNNLC-QNPDJNOGSA-N 423.600 6.190 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C\CC[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 14767725 RZFHLOLGZPDCHJ-QWOBRQKWSA-N 424.669 8.601 0 1 HKAF O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3ccccc3O)c2)c(Cl)c1 14969248 SUVVBULKISMRAD-UHFFFAOYSA-N 405.233 5.491 0 1 HKAF O=C(Nc1ccccc1)Oc1ccc2c(c1)[C@]13CCCC[C@H]1[C@H](C2)N(CC1CC1)CC3 28709217 PNQVNINMHSUQSR-RMDSEJHCSA-N 416.565 5.766 0 1 HKAF Cc1cccc(-n2cc3c(n2)c(NC(=O)NCc2ccccc2)nc2ccccc23)c1 28710907 PBQVUIVQXYVIJY-UHFFFAOYSA-N 407.477 5.204 0 1 HKAF COc1ccc(-c2csc3c(-c4cc(OC)c(OC)c(OC)c4)cnc(N)c23)cc1 28884514 FFSDAFXAJFTFNV-UHFFFAOYSA-N 422.506 5.247 0 1 HKAF O=C(CCCN1[C@H]2CC[C@@H]1CN(c1ccc(Cl)cc1)CC2)c1ccc(F)cc1 34661036 YWOYXYWGFUHWBM-FCHUYYIVSA-N 400.925 5.185 0 1 HKAF C[C@H](N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1Cl)c1cccc2ccccc12 36476023 GAIWLIJUVMFZDL-PKKBDPGCSA-N 406.957 5.885 0 1 HKAF CC(C)c1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1 38239603 KRHYXLVVVURYQT-UHFFFAOYSA-N 423.438 6.396 0 1 HKAF O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 45210396 RWDOAEPTMUYHIB-UHFFFAOYSA-N 414.267 5.606 0 1 HKAF COc1ccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)cc1-c1c(C)cccc1C 59570142 NTLYITJZTYVBSH-IBGZPJMESA-N 418.489 5.509 0 1 HKAF Cc1ccc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3ccc(C(N)=O)cc3)cc2)cc1 66100945 KRXNEPLBPUAAEP-UHFFFAOYSA-N 421.422 5.632 0 1 HKAF COc1cc2c(cc1OC)[C@H](C(C)C)N(Cc1coc(-c3ccc(C)cc3)n1)CC2 72103367 KXDQXQZCZRVJJK-DEOSSOPVSA-N 406.526 5.423 0 1 HKAF O=C(Nc1ccc(-c2ccc(O)cc2)cc1)Nc1ccc(-c2ccnc3nc[nH]c23)cc1 73293813 CRKUAQPSVMLAMQ-UHFFFAOYSA-N 421.460 5.642 0 1 HKAF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1 82133035 SOZPYLPVWUERGK-UHFFFAOYSA-N 414.553 5.105 0 1 HKAF CN1CCN(Cc2ccc([C@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 95561977 SFUKSBBZRGPCJX-GGMIGWIBSA-N 414.637 5.782 0 1 HKAF c1ccc2c(c1)c1ccncc1n2CCCCCCn1c2ccccc2c2ccncc21 95594101 XJQSDBMSLZFDNA-UHFFFAOYSA-N 418.544 6.953 0 1 HKAF COC(=O)c1ccc(-c2ccc3c(-c4ccc(C(C)(C)C)cc4)cccc3c2)c(CN)c1 95603145 WBKOZSYYFLCMGX-UHFFFAOYSA-N 423.556 6.717 0 1 HKAF Cc1cccc(-c2nc3n(n2)[C@@H](c2ccccc2Cl)C2=C(O)CC(C)(C)CC2=N3)c1 103541903 YROJZDKQENRZDH-NRFANRHFSA-N 418.928 6.215 0 1 HKAF CC[C@@H]1CCCCN1c1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cc1COC 118839488 PHGLJQQHANRKFV-LJQANCHMSA-N 417.513 5.195 0 1 HKAF CC/C(Cc1ccccc1)=C(\c1ccccc1)c1ccc(OCCN2CCCC2)cc1 139190443 NLGNSNLSPRTMJJ-GNVQSUKOSA-N 411.589 6.616 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 139479504 BBTIMXAYZRWPNG-ZFVHJZABSA-N 414.718 8.025 0 1 HKAF Cc1ccc(-c2cccc(F)c2)cc1CNc1c(F)ccc(OCC(=O)O)c1F 148801898 VSHWYMSXZHGYML-UHFFFAOYSA-N 401.384 5.155 0 1 HKAF COc1cccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccc3nccnc3c2)c1 218301678 CATIVMWMXRPYNS-XMMPIXPASA-N 408.461 5.156 0 1 HKAF O=C(O)[C@@H](CC(=O)C1(S)Cc2ccccc2C1)Cc1ccc(-c2ccccc2)cc1 219770739 NDMMJXINFMVUMI-HSZRJFAPSA-N 416.542 5.024 0 1 HKAF CC(/C=C/C[C@H](C)/C=C1/C=C(CO)C(=O)O1)=C\CCc1cocc1Cc1ccoc1 238737489 YJUBZQBWIOZXGE-JGLHYNPFSA-N 408.494 5.284 0 1 HKAF C[C@@H]1[C@@H]2C3=CC[C@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC[C@H]1C 238766646 DIFWJJFSELKWGA-WIHPPMSISA-N 424.713 8.233 0 1 HKAF CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@]2(C)CC1 255260913 QIPITLICOVJMDG-KCFNGDSUSA-N 424.713 8.377 0 1 HKAF Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2)oc1C 299879234 KKBSDQXZWOEXOL-PZQWHJIPSA-N 402.542 5.898 0 1 HKAF N=c1[nH]cc([C@H]2CCCNC2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12 473136418 RDJIJUZNOVAKEK-KRWDZBQOSA-N 401.535 5.635 0 1 HKAF CCc1ccc(-c2nc3cc(Br)c(OCCC(C)C)cc3[nH]2)cc1CC 586881201 UVLPPTSQCOTPHA-UHFFFAOYSA-N 415.375 6.542 0 1 HKAF Clc1ccc(Cl)c(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)o2)c1 587052041 VSQNZHKHQQESQY-UHFFFAOYSA-N 401.249 5.958 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c12 587092939 IRNJDBWYMWTUFB-STQMWFEESA-N 413.321 5.500 0 1 HKAF FC(F)(F)c1cc(Oc2ccc(-c3nc4ncncc4[nH]3)cc2)cc(C(F)(F)F)c1 587110460 XYZPCMXBQDPBKC-UHFFFAOYSA-N 424.304 5.850 0 1 HKAF CCOC(=O)c1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587148847 DGHMLVGIXXRTNC-OAQYLSRUSA-N 408.404 5.186 0 1 HKAF O=C(Nc1ccccc1)c1ccc(-c2nc3cc(F)c(Br)cc3[nH]2)cc1 587244229 MKYKGLMLSQRPQF-UHFFFAOYSA-N 410.246 5.384 0 1 HKAF CC(=O)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328936 KXPQQFKEJDGUGU-JTHBVZDNSA-N 410.828 5.028 0 1 HKAF CCCCCCN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587347117 SWWZSSLYTWLKGM-HSZRJFAPSA-N 411.517 5.305 0 1 HKAF C[C@]1(c2ccc3cc(O)ccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350019 GIMNFHGDOQJAPV-AZGAKELHSA-N 414.432 5.664 0 1 HKAF COc1cccc(-c2c([C@H]3CCCCC34OCCO4)cnc3c2oc2ccccc23)c1 587366002 PKOVBCYFDHVYBC-OAQYLSRUSA-N 415.489 6.057 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCc3c(F)cccc3Cl)c1)O2 587381868 MJLGYRHUBQCERM-QFIPXVFZSA-N 411.860 5.655 0 1 HKAF CCOC(=O)c1ccc(-c2ccccc2[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587401389 WLQNKJLKHMWPPR-SANMLTNESA-N 415.489 5.302 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccccc1O[C@H]1C[C@H]4CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O 587440138 ALPIDDNSAQOWOY-PXJRWQIVSA-N 418.533 5.778 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1ccc(Cl)cc1)CC2=O 587461955 LWJOLUGYVLLTQB-RUZDIDTESA-N 406.909 6.216 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(F)(F)F)c(OC)c1)CC2=O 587462737 RSVMQBXSOSWZGL-SFHVURJKSA-N 410.388 5.001 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(CCc1ccc3cc(OC)ccc3c1)CC2=O 587480199 NWMWXBVEKBRLOG-AREMUKBSSA-N 404.506 5.863 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](OC)c1ccccc1)CC2=O 587486334 ZJAJVVLVYMKNBL-CLJLJLNGSA-N 402.490 5.593 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc(-c3ccc(OC)cc3)nc1C)CC2=O 587494316 KYGJEGHJGLKZJG-XMMPIXPASA-N 423.534 5.666 0 1 HKAF C[C@]1(c2ccc(SCC(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587509188 QUTWCUBDMQCONK-OAQYLSRUSA-N 406.469 6.100 0 1 HKAF Cc1ccn2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(-c3ccccc3)nc2c1 587516509 XQAPYZIVHHZPJL-HSZRJFAPSA-N 408.501 5.895 0 1 HKAF CC(C)Oc1ccc(CC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587593383 IZYGXHPZRCBKEW-FYYLOGMGSA-N 404.462 5.142 0 1 HKAF Cc1cc(C)c2c(c1)CC(C)(C)C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603585 NVQKPHMKJLKGNF-KCWPFWIISA-N 414.501 5.839 0 1 HKAF CCc1ccc2oc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 587619809 ZLCLYHVLMDCQNA-RCZVLFRGSA-N 400.430 5.578 0 1 HKAF Fc1ccc2c(-c3nc4ccccc4[nH]3)c(-c3ccc(Br)cc3)[nH]c2c1 587632613 LZBAODPSZLQNNO-UHFFFAOYSA-N 406.258 6.280 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C(\Cl)c2ccc(Cl)cc2)N1 587696756 DZJFQKXMZMVZLG-TZCZDKBUSA-N 415.133 6.097 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccccc2C(F)(F)F)N1 587714091 UPKCFVKQBDWVBC-ADLMAVQZSA-N 416.256 5.599 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(Cl)c2Cl)N1 587714709 BBCXPHKQQVGFKV-QZTNRIJFSA-N 407.085 5.658 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCCC(=O)Cc2ccc(F)cc2)N1 587733453 LMGJOSQSNZTJED-YJYMSZOUSA-N 422.313 5.285 0 1 HKAF CC(C)c1nn(C(C)(C)C)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587763056 HQGDPZDXTLBZPU-BLVKFPJESA-N 408.359 5.287 0 1 HKAF CCC[C@@H](CC1(c2nc3cccc(C)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782401 TZRQMSLONFDTEC-NRFANRHFSA-N 404.554 6.233 0 1 HKAF CCCOc1ccc(CC)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587798462 YCHFMUHYRRAUNG-ASSNKEHSSA-N 406.339 5.563 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3c2ccc2ccccc23)N1 587802555 MXXHDUNIGJUVQU-AMXDTQDGSA-N 409.302 5.846 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC3CCCC3)c2)N1 587810822 MFJRHIKYIVWMPM-YEJXKQKISA-N 404.323 5.533 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1/C=C(/C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587813001 ACPNTFOCHHNTHV-KUGMLOOLSA-N 420.410 6.666 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c4c(cccc24)CC3)N1 587814019 FKZYHPXZEYLCFV-JCQPUDPBSA-N 410.330 5.638 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3cccc(C(=O)O)c23)N1 587825011 FLAQORHLEQKVAT-BIBXISHDSA-N 414.274 5.063 0 1 HKAF CC(C)c1ccc2c(c1)[C@@]1(CCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587833958 JEDKYCHJJJIUPN-ZSEKCTLFSA-N 404.323 5.272 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3sc(C=O)cc3s2)N1 587855928 HJRQGIQFYDKMTJ-QPFGOUBPSA-N 410.333 5.301 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCCS2)N[C@H](C)Cc2cc(Br)c(F)cc21 587858247 ZYCSEEPVGFLMRC-ODXCJYRJSA-N 422.363 5.261 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1ccccc1C 587864180 GEOFFFFRGYZSCZ-OAHLLOKOSA-N 418.415 5.384 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2cccs2)cs1 587869817 SOAMTFVZEOIKFF-UHFFFAOYSA-N 408.430 5.147 0 1 HKAF Fc1ccc(-c2csc(-c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)n2)cc1 587921825 BHHFQQXKQXMRDL-UHFFFAOYSA-N 416.399 6.822 0 1 HKAF CC1(C)N(Cc2ccccc2)CCC[C@]12c1cccc(F)c1CCN2[C@@H]1CCSC1 962713277 QRMWVEJDBQHPNC-RLWLMLJZSA-N 424.629 5.459 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CCCC[C@H]2c2ccc(Br)cc2)N1 962953168 QAOTTXJAIDBEJF-UTSGNWPNSA-N 423.398 6.408 0 1 HKAF Cc1cc2occ([C@H]3c4ccsc4CCN3Cc3cccnc3)c(=O)c2cc1Cl 963008005 KOSYUMURUXWKMV-JOCHJYFZSA-N 422.937 5.359 0 1 HKAF Cc1sc2c(c1C)CCN[C@]2(c1ccc(Br)c(F)c1)C1CCCC1 963018202 FHEOUVABSDTTTE-FQEVSTJZSA-N 408.380 5.846 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCC1OCCCO1)c1ccc(F)c(F)c1 963260548 YBWAZWZMXLERPW-IQGLISFBSA-N 415.524 5.408 0 1 HKAF C[C@H]1[C@H](/C=C/c2ccc(-c3cccc(F)c3)cn2)[C@H]2[C@@H](C)OC(=O)[C@@H]2CC1(F)F 1772624658 MCFWIZMCCHEXBK-JROVHFAPSA-N 401.428 5.370 0 1 HKAF COc1cccc(C(=O)Nc2ccc(Nc3ncnc4c3Cc3ccccc3N4)cc2)c1 1857643843 XZRQBCISRSOUNC-UHFFFAOYSA-N 423.476 5.129 0 1 HKAF Cc1cc(=O)c2c(o1)O[C@]1(C)CC[C@H]3[C@]4(C)CC[C@@H](O)C(C)(C)[C@H]4CC[C@]3(C)[C@H]1C2 2356717363 PSHUZQHBLAPAMD-BPNPYZKISA-N 414.586 5.272 0 1 HKAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]3C=CN(CCS(=O)(=O)O)C=C3CC[C@@H]12 2356786289 ZSXBODHKEIZAKH-DKQPQCJKSA-N 407.620 5.246 0 1 HKAF CO[C@@H]1CC2=C3C=C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=C(C)C=C[C@@H](C)C(C)C 2356803773 XKDCJECDMZNERE-PUPJDTOOSA-N 424.669 7.020 0 1 HKAF COc1cc2cnc(-c3ccccc3)c(-c3ccc(C(F)(F)F)cc3)c2cc1OC 36388902 AUYJFIJCILYSTP-UHFFFAOYSA-N 409.407 6.605 0 3 HKAF COc1ccc(C(C)=O)cc1C[C@]1(C)C(=O)Nc2ccc(-c3ccccc3OC)cc21 61926242 URFFEDIUNMMOFH-SANMLTNESA-N 415.489 5.026 0 3 HKAF COc1ccccc1-c1ccc([C@@H]2C[C@H]3[C@H](CON3C)CN2CC2CCCCC2)cc1 199353940 RGNAINSWYVMWDP-RNXOBYDBSA-N 420.597 5.551 0 3 HKAF COc1c2c(c(CC=C(C)C)c3oc(=O)cc(-c4ccccc4)c13)O[C@H](C)[C@@H](C)C2=O 13382524 CHVBVEFGTFMKNL-HZPDHXFCSA-N 418.489 5.577 0 1 HKAF biogenic CC[C@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 13551243 DZUAZCZFSVNHEF-GCXAAFTCSA-N 410.686 8.009 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)n2ccnc2)C(C)(C)CC[C@@H]1n1ccnc1 13586649 YATHTDAMJIBVQL-UGKRXPDESA-N 416.569 6.103 0 1 HKAF COc1ccc(-c2cc(OCCCC[C@@H](C)C(=O)O)nc(-c3ccccc3)c2)cc1 13729717 OIWIQQWJAXHKCY-GOSISDBHSA-N 405.494 5.694 0 1 HKAF CCSc1cc(-c2cc(C(=O)Nc3ccccc3)cc3ccc(C(=N)N)cc23)co1 26834766 PTCHEYWURWFAME-UHFFFAOYSA-N 415.518 5.748 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CCN[C@@]2(C)C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 27996159 KOIBTUBCPWGUOH-NKHYJZQTSA-N 415.706 6.731 0 1 HKAF COc1ccc([C@@H](C(=O)c2ccccc2)c2ccc(OCCN3CCCC3)cc2)cc1 29406483 SKGZPVMFLDEHQK-AREMUKBSSA-N 415.533 5.185 0 1 HKAF COc1cc2c(cc1OC)Oc1nc(C)nc(Nc3cccc(Cl)c3F)c1NC2 40767210 MTSNGHVNGCZYBV-UHFFFAOYSA-N 416.840 5.056 0 1 HKAF CCCCN(C)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12 40862524 RWYHSPXABSBPHT-UHFFFAOYSA-N 403.309 5.583 0 1 HKAF Clc1ccc(C2(c3ccc4noc(-c5cccc(Cl)c5)c4c3)OCCO2)cc1 45319572 LKBPYEMOOOFALD-UHFFFAOYSA-N 412.272 6.050 0 1 HKAF CS(=O)(=O)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1 49071917 XXDKEHVYHBBFNK-QFIPXVFZSA-N 410.926 5.099 0 1 HKAF CCOc1cc2c(cc1OC(C)=O)CCC[C@@H]1[C@@H]3CC[C@H](OC(C)=O)[C@@]3(C)CC[C@@H]21 58589973 HWAVFONLHJLREU-PHFIYVLASA-N 414.542 5.189 0 1 HKAF COc1cc2c(=O)c(C(=O)c3ccc(C)cc3)cn(CC3CCCCC3)c2cc1OC 66099665 QTIJYAQIWIXYMQ-UHFFFAOYSA-N 419.521 5.138 0 1 HKAF Cc1c(OCc2ccccc2)c(=O)ccn1CCNc1ccnc2cc(Cl)ccc12 96917799 XRZRKCCRWOKGBU-UHFFFAOYSA-N 419.912 5.049 0 1 HKAF C[C@@H]1CC[C@]2(C)CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C 100780309 DIFWJJFSELKWGA-ZBWBQPSUSA-N 424.713 8.233 0 1 HKAF endogenous,in-man COc1cc(/C=C/c2ccc(OCCCCCCN3CCCCC3)cc2)cc(OC)c1 103299345 FHGKGCQZIQACCT-ZHACJKMWSA-N 423.597 6.299 0 1 HKAF C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O 118913659 OQIJRBFRXGIHMI-KJOMLSRZSA-N 420.678 5.412 0 1 HKAF endogenous,in-man O=C(O)c1cccc2c1oc1c(C(=O)O)ccc(Oc3cccc(C(F)(F)F)c3)c12 138186269 QSUIYFDOJAVQAL-UHFFFAOYSA-N 416.307 5.794 0 1 HKAF CC(C)=CC[C@@H]1C(=O)c2c(O)cc3c(c2O[C@H]1c1ccc(O)cc1O)C=CC(C)(C)O3 138700052 QSQBJRRFAIOANT-HXOBKFHXSA-N 422.477 5.277 0 1 HKAF c1cnc(-c2cc3c(cn2)[nH]c2ncc(-c4ccc(CN5CCCCC5)cc4)cc23)cn1 139409381 GXRLPTHGYBPIDP-UHFFFAOYSA-N 420.520 5.221 0 1 HKAF CN(Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1)c1ccncc1 141177507 ZLOHMUBFEMBXKD-UHFFFAOYSA-N 409.489 5.343 0 1 HKAF O=C1CSC(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2cccc3ccccc23)=N1 169336254 ZZUUMEHDGXOMLG-FQEVSTJZSA-N 405.910 5.274 0 1 HKAF Cc1ccccc1-c1nc(O)ccc1-c1ccc(OCc2ccc3ccccc3n2)cc1 473156076 SJPTYOQJZOYBHL-UHFFFAOYSA-N 418.496 6.557 0 1 HKAF CC(C)(C)c1ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 586961845 YJIMJFHGXBWDAB-GDLZYMKVSA-N 402.563 5.899 0 1 HKAF CCOc1cc(/C=C\c2nc3ccc4ncccc4c3[nH]2)cc(Br)c1OC 586978539 WMUBTDJMYJTTRY-TWGQIWQCSA-N 424.298 5.451 0 1 HKAF CCc1ccc(-c2nc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)cs2)cc1 587015438 CXTKGNBUPSGFCW-UHFFFAOYSA-N 411.534 5.747 0 1 HKAF Cc1cnc(Cl)c2[nH]c(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)nc12 587021798 REVYGLPRHXCNMU-UHFFFAOYSA-N 418.913 5.849 0 1 HKAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(C)c(C)cc3[nH]2)c1 587048131 FJMBDLDZXBQMQS-HJWRWDBZSA-N 410.905 5.224 0 1 HKAF N[C@H](N=O)c1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1 587067970 DKQFJAGXOXHCFB-HXUWFJFHSA-N 418.844 5.053 0 1 HKAF Clc1cc(Cl)cc(-c2cncc(-c3nc4cc(Br)cnc4[nH]3)c2)c1 587068128 ZMUAGVMACMSIKJ-UHFFFAOYSA-N 420.097 5.756 0 1 HKAF CC(=O)c1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587069166 FYZWYFYUAXKMQK-PGMHBOJBSA-N 400.909 6.592 0 1 HKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587069374 IYXNFGTWBNFIAT-SECBINFHSA-N 417.765 5.642 0 1 HKAF Oc1ccccc1-c1cc(-c2nc3cc(F)c(F)cc3[nH]2)c2cccc(Cl)c2n1 587082233 JTLXNYUTQMLXDR-UHFFFAOYSA-N 407.807 6.082 0 1 HKAF Cc1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2cc1Br 587092621 XKJFZZJMDORTGE-UHFFFAOYSA-N 402.239 5.350 0 1 HKAF CC(C)(C)OC(=O)Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587104664 UBNQYYWKRZBZQL-UHFFFAOYSA-N 422.484 6.460 0 1 HKAF CCOC(=O)[C@H](Cc1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106806 OHFJJRUHRRSHSG-JOCHJYFZSA-N 407.469 5.336 0 1 HKAF Fc1cccc(Cn2nnc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c2Cl)c1 587162337 VQGWRIJXGSMHGF-UHFFFAOYSA-N 419.847 5.455 0 1 HKAF O=C1c2ccccc2-c2cc(-c3coc4c3cc(O)c3ccccc34)nc3cccc1c23 587206063 GTOYGEAPILTIBH-UHFFFAOYSA-N 413.432 6.718 0 1 HKAF Brc1ccc(COc2ccccc2-c2cc3c4c(cccc4n2)CC3)cc1 587208058 KTCOWUGUUTUWCY-UHFFFAOYSA-N 416.318 6.342 0 1 HKAF C[C@@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327454 GPMYRKIJBIDLNV-OFNKIYASSA-N 414.379 5.407 0 1 HKAF CCCCc1c(C(=O)OCC)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587363702 TUJHWCGLBCEZHV-UHFFFAOYSA-N 403.478 6.176 0 1 HKAF COc1cccc(-c2cc(-c3cccc(OC[C@H]4CO4)c3)nc3c2oc2ccccc23)c1 587367239 UWQSMBLIZRNHLN-NRFANRHFSA-N 423.468 6.101 0 1 HKAF CC(=O)SC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587369691 NPMCMNLOGZLLKN-UPVQGACJSA-N 422.477 5.065 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)c(OCC)c1)CC2=O 587456124 KZLKYSFDNRDGPS-GOSISDBHSA-N 405.288 5.212 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(Br)ccc2C[C@@H]1C 587457763 MMLZFDYYJJDESO-QKVFXAPYSA-N 401.300 5.160 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1ccccc1OC)CC2=O 587459460 DOPWMAUEIICYAT-VWLOTQADSA-N 422.908 5.916 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3ccc(C(F)(F)F)cc3)c1)CC2=O 587464961 ZXQJMENMDLJFPW-FQEVSTJZSA-N 416.399 5.256 0 1 HKAF Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502463 RIMWHNGNJHNRSN-VWLOTQADSA-N 403.909 5.710 0 1 HKAF O=C1C[C@@](c2cc(Cl)ccc2Cl)([C@@H]2CCOC2)Oc2c1ccc1c2CCCC1 587502609 DBADIWIQXVODAW-CMJOXMDJSA-N 417.332 5.769 0 1 HKAF O=C1C[C@@H](c2nc3ccccc3cc2Br)Oc2c1ccc1c2CCCC1 587505952 WOHXCFAFVFYWOR-FQEVSTJZSA-N 408.295 5.583 0 1 HKAF COC(=O)C[C@@]1(c2ccc(C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587520962 BYUVGJPVKYATGG-AREMUKBSSA-N 406.522 5.287 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccncc2)cc1F 587553329 GOGHRGYTZSRXCM-DHLKQENFSA-N 413.404 5.296 0 1 HKAF Oc1nc(O)c2ccc(-c3ccccc3-c3ccc(OCc4ccccc4)cc3)nc2n1 587558753 CPJWQWCPPKWYLT-UHFFFAOYSA-N 421.456 5.349 0 1 HKAF Cc1cc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)ccc1O 587608975 NPVMMNOFTKJTAO-IGKIAQTJSA-N 424.452 5.776 0 1 HKAF Cc1nc(C(C)(C)C)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612601 MDCMXYDSRDGLFK-HXOBKFHXSA-N 409.507 5.332 0 1 HKAF Cc1cc(C(F)(F)F)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587712559 PLWKMDWGXNWERE-DYZYQPBXSA-N 402.229 5.539 0 1 HKAF CC(C)Cn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587754173 DAPLGIXTSMFHRP-PEBXRYMYSA-N 415.350 5.823 0 1 HKAF CCc1ccccc1-n1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587755280 OJHORRQZLRSURR-JLCFBVMHSA-N 413.334 5.565 0 1 HKAF CC(C)n1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 587756777 MALNHZPOYMWBSK-BUXKBTBVSA-N 402.311 5.142 0 1 HKAF CCn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(OC)ccc21 587759832 WAPDASJRHLUFAO-QKVFXAPYSA-N 417.322 5.195 0 1 HKAF CC(C)=C1NCCc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc21 587792332 IHFFFZSPWSCOCY-XMHCIUCPSA-N 415.350 5.108 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2CCCCC2=O)N1 587818793 FNPOPOJKXZDFBD-SRVWHDFXSA-N 416.334 5.125 0 1 HKAF Cc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 587821216 TYXASJANKTURTP-NPMXOYFQSA-N 410.330 6.187 0 1 HKAF CCCC[C@]1([C@@H]2CCOC(C)(C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587831653 ILBDXSLZZIHBKD-CMPZQBNXSA-N 412.387 5.713 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1scc(C)c1Cl 587866446 DYIMVJPNBNZFNA-UHFFFAOYSA-N 414.836 5.679 0 1 HKAF Oc1ccc(OCCCc2ccccc2)n1-c1cc(F)c(Br)cc1F 587944027 WSNICHDGBUSPCH-UHFFFAOYSA-N 408.242 5.235 0 1 HKAF CN(C)C(=O)c1ccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2c1 587957885 ZLCUPYANQKNBJU-UHFFFAOYSA-N 401.551 5.183 0 1 HKAF CC[C@]1(Cc2nc3ccc(F)c(Br)c3[nH]2)CC(=O)c2ccccc2C1 587959519 GBJNUHTVXGLIKW-HXUWFJFHSA-N 401.279 5.233 0 1 HKAF CC(C)OCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)(C)C)cc21 653708780 XRTMLPAIBKMUTP-UHFFFAOYSA-N 410.514 5.222 0 1 HKAF c1ccc(-c2ccc3c(c2)CCN[C@]3(c2ccccc2)c2cccc3ccccc23)cc1 962662837 CRIZKIYMYUHYQC-HKBQPEDESA-N 411.548 6.944 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CC(C)(C)C(=O)O)(c2ccc(F)c(C)c2)N1 962939926 CIICHCWVHKOADJ-NSYGIPOTSA-N 408.517 5.284 0 1 HKAF COc1cccc2cc3c(nc12)[C@@](c1ccc(OC(F)(F)F)cc1)(C(C)C)NCC3 963046523 KBDKTGSKCQBYOQ-QFIPXVFZSA-N 416.443 5.187 0 1 HKAF COc1cccc(CC[C@@]2(c3ccc(SC)cc3)NCCc3ccc(O)cc32)c1 963353830 UKAXKGBJPXSVCO-VWLOTQADSA-N 405.563 5.145 0 1 HKAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 1772577206 ORPDGDBKUOHGBE-MQLAKOLLSA-N 401.723 7.696 0 1 HKAF C[C@@H]1C[C@H]1C(=O)Nc1cccc(Cc2ccc3c(/C=C/c4ccccc4)[nH]nc3c2)c1 1772582961 RKXUOKDOGXXEAF-ONRBKBMNSA-N 407.517 5.919 0 1 HKAF COc1cc(OC)c(NC(=O)NCCC2=CS[C@@H]3C[C@@H](C)CC[C@@H]23)cc1Cl 1857535947 PRIPWHITKPWISS-PTAUBWNISA-N 410.967 5.304 0 1 HKAF CCC(=O)N1CC[C@]2(Cc3cccc(C)c3)c3ccccc3N(Cc3cccc(C)c3)[C@H]12 1857584299 MQZXOMPTUHROEC-VMPREFPWSA-N 424.588 5.773 0 1 HKAF Cc1c([C@H](C)n2cnc3ncc(-c4cnc5ccccc5c4)nc32)ccc2ncccc12 1857596291 JEEMABKPXFIZPQ-KRWDZBQOSA-N 416.488 5.507 0 1 HKAF Clc1cc(Cl)cc(CCN2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)c1 1857645649 AILXRSGYTLOMFF-TWRVUUBYSA-N 405.413 5.431 0 1 HKAF CC(=C[C@H](O)CC(C)=CCc1cc(O)cc(C)c1O)CCC=C(C)Cc1cc(C)co1 2356469824 BWWUGYWTYAYXJO-DEOSSOPVSA-N 424.581 6.463 0 1 HKAF CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@H]2CC[C@H]2[C@@H]3[C@H]4CC[C@@]3(CC[C@@]21C)C(=O)O4 2356585235 IMLYZVRFONVJHK-TWVVYJBISA-N 412.614 5.946 0 1 HKAF O=C(O)Cc1cc(C(=O)Nc2ccc(Br)cc2)sc1-c1ccccc1 983714 NBPVGVWLWPIQKT-UHFFFAOYSA-N 416.296 5.057 0 3 HKAF C[C@]1(Oc2ccc3ccccc3c2)CCN(Cc2ccc(OC(F)(F)F)cc2)C1 61927979 BKKBKFJOZSXWAH-QFIPXVFZSA-N 401.428 5.782 0 3 HKAF CCCC[C@H]1[C@H]2C[C@H](OC(=O)Nc3ccccc3C(F)(F)F)[C@@H](C2)[C@H]2CCCCN12 263590708 JZDCCCWNUUBSMV-DTXWBZGDSA-N 424.507 6.076 0 3 HKAF O=C(NCCc1ccc(F)cc1)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 773404 MKDACJKWCGIGAN-UHFFFAOYSA-N 410.445 5.321 0 1 HKAF CCCCCc1oc(CCCCCCCCCCC(=O)[C@H](CO)NC(C)=O)cc1C 13382612 XUCVFGSDHXEBNT-QHCPKHFHSA-N 421.622 5.440 0 1 HKAF biogenic COCc1c(C)c(C)c(O)c([C@H](CCCCCC(=O)O)c2ccc(F)cc2)c1C 13456392 IWMDJQNZUAAUBS-HXUWFJFHSA-N 402.506 5.770 0 1 HKAF Oc1cc(NCC2=CCC[C@@H]2NCc2ccc(Cl)c(Cl)c2)nc2ccccc12 13488728 NRQJYKHLMIPWMQ-IBGZPJMESA-N 414.336 5.538 0 1 HKAF O=C(Nc1ccc(F)cc1F)Nc1cnc2ccccc2c1-c1ccccc1Cl 13737642 XAEZWDBLMMMZIT-UHFFFAOYSA-N 409.823 6.477 0 1 HKAF CCOP(=O)(Cc1ccc(-c2nc3cccc(OC(C)=O)c3s2)cc1)OCC 27899130 IWZUURPHTOMYQR-UHFFFAOYSA-N 419.439 5.655 0 1 HKAF CCNC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 28641320 JNFCBCJPDMSRSH-UHFFFAOYSA-N 419.654 5.292 0 1 HKAF C[C@]12CC[C@H]3[C@@](C)(CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@@]43C)[C@@H]1Cc1cc(O)ccc1O2 29134130 SSYYQRHNVQFDDJ-JEVRTUAISA-N 412.570 5.809 0 1 HKAF CC/C(=C(/c1ccccc1)c1cccc(OC(C)=O)c1)c1ccc(OC(C)=O)cc1 29489867 VAMFKUKVDAGEPK-OCEACIFDSA-N 400.474 5.906 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1cc(CCC(=O)c2c(O)cc(O)cc2O)ccc1O 40424977 NJIYMLLTXNGJHV-REZTVBANSA-N 410.510 5.560 0 1 HKAF in-vitro FC(F)(F)c1ccc(CN2CC[C@@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cc1 51076753 LNZAMZUGIYSHKJ-CYBMUJFWSA-N 413.365 5.590 0 1 HKAF biogenic O=C1C(C2=Nc3ccccc3N[C@H](c3ccc(Cl)cc3)C2)=C(O)c2ccccc21 68583043 CHOGILVWZDRGED-FQEVSTJZSA-N 400.865 6.135 0 1 HKAF biogenic C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]12 69482076 JUMCLWDAFILWKD-GGVOOLGXSA-N 424.713 8.233 0 1 HKAF biogenic,in-vitro CCCCCn1c(-c2ccc(C)o2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181265 MKQKSGMQJBPHIV-UHFFFAOYSA-N 409.921 5.850 0 1 HKAF O=C1O[C@](c2ccccc2)(c2ccncc2)CC(O)=C1SCCc1ccccc1 100364112 LZZVLMOAAXHUKF-XMMPIXPASA-N 403.503 5.018 0 1 HKAF Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N3)cc1 103888481 DWGVBHNMCRARFG-HXUWFJFHSA-N 401.485 6.374 0 1 HKAF COc1ccc(C(=O)Nc2nc(-c3ccc(O)cc3)c(Cc3ccccc3)s2)cc1 115809766 CYCCIOFCYALEPL-UHFFFAOYSA-N 416.502 5.367 0 1 HKAF C[C@@H]1CCC([C@H](C)[C@H]2CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)=NC1 118917261 QAGPPGDCPAPQLW-NVPLUOJISA-N 413.646 5.692 0 1 HKAF CC(=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O[C@@H]4CCCCO4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 141358073 ACZALWXEBIXTFI-VRELQNECSA-N 414.586 5.245 0 1 HKAF Cc1cnc(-c2ccccc2C(C)C)nc1N[C@H](C)c1ccc(-c2cccnc2)cc1 169305370 RNKNMDXUBJOYEL-HXUWFJFHSA-N 408.549 6.811 0 1 HKAF CCCCC1([C@@H](O)/C=C/[C@H]2CCC(=O)[C@@H]2CCCCSCC(=O)OCC)CCC1 169315237 OKBAXITUKPXETI-NEXFGIEHSA-N 424.647 5.326 0 1 HKAF O[C@@H](c1cc(-c2ccc(Cl)cc2)cc2c(Cl)cc(Cl)cc12)[C@@H]1CCCCN1 169332348 RALABFFVMWGRQU-VXKWHMMOSA-N 420.767 6.643 0 1 HKAF CCN(CC)C(=S)S[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)cc1 169345007 YNQWJYDNFRZPCJ-MOPGFXCFSA-N 405.972 5.385 0 1 HKAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(-c2ccc(Cl)s2)s1 169371878 ULKBAZWILNDSNA-ZSEBGNDMSA-N 405.972 5.169 0 1 HKAF CC(C)=CCCC/C(C)=C\CC/C(C)=C/CC/C=C/CC/C=C(\C)CCC=C(C)C 238777892 HNALRRQWFBFFAO-JTADWCEWSA-N 410.730 10.605 0 1 HKAF CCc1oc2ccccc2c1-c1nc2cc(Br)c(Br)cc2[nH]1 586904365 TUMQQMKAZNLSMP-UHFFFAOYSA-N 420.104 6.064 0 1 HKAF O=[S@](Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)C(c1ccccc1)c1ccccc1 586958620 GXOOEDFTAMIHLF-GDLZYMKVSA-N 418.415 5.158 0 1 HKAF CO[C@H]1C[C@@H](c2ccccc2)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990786 FGKYOUJLZTVTIE-AOMKIAJQSA-N 407.469 5.569 0 1 HKAF COc1ccc([C@H]2CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)cc1 586993544 XYRYBHMBCQKFMF-INIZCTEOSA-N 407.469 5.433 0 1 HKAF C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(N)ncnc2[nH]1 587053470 FIHCBXCILHBZPX-SNVBAGLBSA-N 416.268 5.174 0 1 HKAF COC(=O)c1cc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cn1 587071946 NVIMRVDDKCLVNL-RGHJNJDOSA-N 416.308 5.417 0 1 HKAF O=C(c1ccccc1)c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587077548 WCKJAFCCAJSTJV-OAQYLSRUSA-N 401.853 5.064 0 1 HKAF FC(F)(F)c1ccc(-c2nc3cc(Br)ncc3[nH]2)c(C(F)(F)F)c1 587095439 YWMXRONUSVQNGR-UHFFFAOYSA-N 410.115 5.425 0 1 HKAF Cc1ccc2c3c(cc(-c4cccc(-c5cccc(O)c5)c4)nc13)-c1ccccc1C2=O 587101611 OSODOLYDQVXRRW-UHFFFAOYSA-N 413.476 6.794 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(-c5ccccc5)sc4N)nc13)-c1ccccc1C2=O 587102420 QEQRFORNBYQZCC-UHFFFAOYSA-N 418.521 6.732 0 1 HKAF Cc1ccc2c(ccc3[nH]c(-c4ccc(Oc5ccc(C(F)(F)F)cc5)cc4)nc32)n1 587113090 RKBVNVQZQZANOI-UHFFFAOYSA-N 419.406 6.898 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1 587120580 PORLGNBCQLFEKU-UHFFFAOYSA-N 406.367 5.356 0 1 HKAF CCOC(=O)Cc1ccc2nc(-c3ccc(F)c(-c4ccc(C(C)=O)cc4)c3)[nH]c2c1 587139244 DLZQMNCLYOSWMA-UHFFFAOYSA-N 416.452 5.344 0 1 HKAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(Oc3ccccc3)ccc2[nH]1 587148245 GZZHKNULAJNTGL-UHFFFAOYSA-N 402.404 5.701 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587233682 SSOLSJFPRZCPOH-ZWNOBZJWSA-N 417.859 5.786 0 1 HKAF CCCCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587352836 YFXIEXDXTPEREX-AZGAKELHSA-N 420.480 5.985 0 1 HKAF Cc1ccc2c(c1)OCCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354715 AYOOTQLNLVICSK-ZCYQVOJMSA-N 404.437 5.267 0 1 HKAF COc1cccc(-c2cc(-c3ccc(Cl)cc3F)nc3c2oc2ccccc23)c1 587358659 AMPGYXJLKFVPLF-UHFFFAOYSA-N 403.840 7.116 0 1 HKAF COc1ccc([C@]2(c3ccc(Cl)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1C 587377973 LLIOQYNMLXPGMR-XMMPIXPASA-N 407.897 5.457 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(C(C)(C)C)c(O)cc1O)O2 587402698 BINGRQNZDDUEIB-AREMUKBSSA-N 417.505 5.195 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1SC(C)C)[C@@H](C2)C3=O 587448937 NPBFXFRACMSTIC-MGPUTAFESA-N 419.340 5.447 0 1 HKAF CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1cccs1 587451387 OAACOKLPISMMEB-HOYKHHGWSA-N 422.502 5.223 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)CN(C(=O)OC(C)(C)C)C3)CC2=O 587479093 AYWBOPQWKCVACZ-JOCHJYFZSA-N 423.509 5.302 0 1 HKAF O=C1C[C@@](c2ccccc2)(c2ccc(OC(F)F)cc2)Oc2c1ccc1c2CCCC1 587507175 ONTDXZNXLQTSNC-AREMUKBSSA-N 420.455 6.076 0 1 HKAF Nc1nc2cc([C@]3(c4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2o1 587509723 ISJTZLFJFRWBSL-AREMUKBSSA-N 410.473 5.198 0 1 HKAF CC[C@@]1(c2ccc(OCc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587525716 RKIOMEJYFMHUPJ-NDEPHWFRSA-N 412.529 6.415 0 1 HKAF C[C@]1(c2ccc3c(c2)Nc2ccccc2S3)CC(=O)c2ccc3c(c2O1)CCCC3 587537932 LWEGOTHFFUMMOS-AREMUKBSSA-N 413.542 6.654 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc(C(F)(F)F)c1 587551214 YLIKVROIQBJZIF-XLIONFOSSA-N 404.315 5.253 0 1 HKAF CC[C@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557745 SRKFVFRBPKMNIW-AUSIDOKSSA-N 412.388 5.261 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(SC2CCCCC2)o1 587611681 HQASVYRTIXGQJH-QPPBQGQZSA-N 422.502 6.113 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12c1ccsc1-c1sccc12 587618054 MHFNMDQRUOZMTA-QGZVFWFLSA-N 404.468 5.401 0 1 HKAF CCOC(=O)C(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc(Cl)c(F)cc12 587630102 RMPZMZFTONFPEF-UHFFFAOYSA-N 413.754 5.392 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(Sc3ncccc3C(=O)O)c2c1 587640485 DSSRLQCWSSMOED-CQSZACIVSA-N 420.509 6.732 0 1 HKAF O=C(n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)C12CC3CC(CC(C3)C1)C2 587659805 DKHWFUMKYRARII-UHFFFAOYSA-N 402.469 5.059 0 1 HKAF O=C(Cc1cccc2ccccc12)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659900 JBOYFFUMZCCOFU-UHFFFAOYSA-N 408.432 5.239 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cc(Cl)cc2Cl)N1 587691976 JAROXHZJHCFUDO-VGDKGRGNSA-N 423.540 6.172 0 1 HKAF Cc1ccc(-n2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1C 587755504 AGLYZNRPEUSSET-SPLOXXLWSA-N 414.322 5.014 0 1 HKAF Cc1cccnc1[C@@H]1CCC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587770001 HKPPGGRESVKWGF-VTJXTGGHSA-N 403.339 5.379 0 1 HKAF CCOc1ccccc1OCc1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 587780338 QCYZHKANPUXPPO-UHFFFAOYSA-N 418.449 5.120 0 1 HKAF Cc1ccc(-c2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 587816082 TYAAOHUFJAZBSM-VOIUYBSRSA-N 424.357 6.361 0 1 HKAF Cc1ccccc1-c1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587817997 GFNJSWWMEQELRB-WNSKOXEYSA-N 410.330 6.187 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2C2CCCCC2)N1 587821748 XICYVLKAMUYOHH-PEBXRYMYSA-N 402.351 6.260 0 1 HKAF CC(C)[C@H]1CCc2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587823058 OBDVAYULVDGNKJ-UZSYQUHHSA-N 402.351 5.584 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2C(=O)c2ccccc2)N1 587824818 YWWCZOHHUIJGAU-SRVWHDFXSA-N 416.334 5.391 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Nc1cccc(Cl)c1 587863960 AFMCZAOZJZRNHW-UHFFFAOYSA-N 409.795 5.701 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(Br)c(C)c1 587866968 OGIDBJSPZBNSLU-UHFFFAOYSA-N 412.209 5.033 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 587871108 AEIJCOVPAYGWKF-RTWAWAEBSA-N 406.501 5.829 0 1 HKAF C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874012 SEJLNXPRKHGABG-HNNXBMFYSA-N 400.409 5.570 0 1 HKAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(Br)c(F)c3[nH]2)cc1 587936739 LVXRBHGORUYSKK-GOSISDBHSA-N 411.274 5.653 0 1 HKAF FC(F)(F)c1c(Br)ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c12 587964599 DSNWCPOVXZBNIO-UHFFFAOYSA-N 411.265 6.184 0 1 HKAF Cc1ccccc1CC[C@]1(c2ccc(Cl)cc2)NCCc2nc3ccccn3c21 962984689 NJQUHOYOYUPYFL-RUZDIDTESA-N 401.941 5.318 0 1 HKAF Cc1ccc(C)c([C@@]2(c3ccccc3Cl)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963035607 SBFROEYYJOLBQN-DWXRJYCRSA-N 416.952 5.302 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCc1cccc(C)c1)c1cc(C)ccc1C 963256851 GBZGBHKXCMCTEM-RNAHPLFWSA-N 411.633 7.145 0 1 HKAF CCC[C@@H]1C[C@@H](CCc2ccc(O)c(OC)c2)O[C@@H](C=C(C)CCC=C(C)C)O1 2356352557 WJMAMCWCNHAOTC-RQTOMXEWSA-N 402.575 6.326 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CCC2=C3C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356663749 UKAKIXQJHXUJBH-APGCEIDISA-N 416.646 5.539 0 1 HKAF CC[C@@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356668064 BVVFRHKBULZQCQ-VXAIQICMSA-N 414.718 8.313 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@]3(O)CC[C@@]21C 2356732440 IABNMGOOKVIIKC-DVKVPMNESA-N 418.662 5.474 0 1 HKAF C1=CC2=CN(C1)CCCCCCCCCCC1=CN(CC=C1)CCCCCCCC2 2356838921 MENMJZXSADBIDP-UHFFFAOYSA-N 410.690 7.753 0 1 HKAF CCCCNc1c(-c2ccc(-c3ccc(OC)cc3)c(OC)c2)nc2ccccn12 61959779 ZYVQDQRRKKMYFQ-UHFFFAOYSA-N 401.510 5.898 0 3 HKAF O=C(Nc1cccc(Cl)c1)c1csc([C@@H](O)c2cccc(C(F)(F)F)c2)n1 206019557 JGVHPNPZFSXCOX-HNNXBMFYSA-N 412.820 5.149 0 3 HKAF CC(C)(C)c1noc(-c2ccccc2)c1C(=O)NCc1ccc(OC(F)(F)F)cc1 2483542 CAZYXMWWVDRANU-UHFFFAOYSA-N 418.415 5.468 0 1 HKAF CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccccc2)nc2ccccn12 13801071 CNTRGMQYQCVCNP-UHFFFAOYSA-N 419.613 6.533 0 1 HKAF CCCCCC[C@]1(c2ccccc2)CC(=O)[C@H](SCCc2ccccc2)C(=O)O1 18128301 CUWRUSVMGVDZOP-UKILVPOCSA-N 410.579 5.713 0 1 HKAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)OC3CCCCCC3)CN(C)[C@@H]1C2 27520333 MBYARJXYTMMETQ-WNOPAQSVSA-N 408.586 5.448 0 1 HKAF FC(F)(F)c1cnc(Nc2ccc3[nH]cnc3c2)nc1Nc1cccc(Cl)c1 28523232 MNBOIXTXFSHBIZ-UHFFFAOYSA-N 404.783 5.512 0 1 HKAF CCCCCOc1nc2ccccc2cc1[C@H](O)CCCCCCCC(=O)OC 28528446 CIMVBEIFYVZLQH-JOCHJYFZSA-N 401.547 5.741 0 1 HKAF CCc1ccc(OCc2ccccc2NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 28570883 XUOJWZZDJOKLKZ-UHFFFAOYSA-N 411.505 5.640 0 1 HKAF Clc1ccc([C@@]2(Cn3ccnc3)OC[C@H](CCc3ccccc3)O2)c(Cl)c1 28769327 JCAZSATUZWCXLC-RXVVDRJESA-N 403.309 5.091 0 1 HKAF NC[C@H]1CCC[C@H](CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 28826339 MVOCLUVYCDHXAF-GOTSBHOMSA-N 417.597 5.285 0 1 HKAF O=C1Nc2ccccc2/C1=C(/Nc1ccc(CN2CCCCC2)cc1)c1ccccc1 40977544 VBVJQGOFYMMHKC-QPLCGJKRSA-N 409.533 5.605 0 1 HKAF CCCOc1ccc(Oc2ccc(-c3ccc([C@H](C)NC(=O)C(C)C)cc3)cc2)cc1 45259892 HQBFQVIUPTYFMW-FQEVSTJZSA-N 417.549 6.768 0 1 HKAF COc1ccc(/C=C/c2cc(O)c(/C=C/c3ccc(N)cc3)c(OC)c2)cc1OC 58650358 GPVOWBRIGLKIEL-CGJKORLASA-N 403.478 5.341 0 1 HKAF CC(=O)Oc1ccc(-c2ccc(/C=C/C(=O)O)cn2)cc1C12CC3CC(CC(C3)C1)C2 72113253 AATXTKSCWVUSFW-XVNBXDOJSA-N 417.505 5.240 0 1 HKAF CC[C@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N2CCC[C@H]3CCCC[C@@H]32)n1 82066895 YSTJSTWIVGRPAL-QKLQHJQFSA-N 411.550 5.042 0 1 HKAF CCCC[C@H](CC)CNc1nc(NCc2ccccc2)c2cc(OC)c(OC)cc2n1 82126433 POKPXPFQHSUWQV-SFHVURJKSA-N 422.573 5.887 0 1 HKAF CCc1nn2c(-c3c(C)cc(C)cc3OC)cccc2c1N(CC1CC1)CC1CC1 84740219 QSFPAIIHYRCTNL-UHFFFAOYSA-N 403.570 5.816 0 1 HKAF CCN(CC)C(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3C)c2ccc(OC)cc2)cc1 100819267 YBLMKLANMRPPGX-ZEQRLZLVSA-N 418.581 5.236 0 1 HKAF O=C(O)Cc1ccc(Nc2nc(-c3ccc(Cl)cc3)nc3c2SCCC3)cc1 103259140 KIQLVTLGIGUFTB-UHFFFAOYSA-N 411.914 5.206 0 1 HKAF CCCCC[C@H](O)c1cccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OC)c1 117781192 URCNLRMKZKIRKW-ZLNRFVROSA-N 402.575 5.877 0 1 HKAF O=C(O)c1ccc2nc(-c3cc4ccccc4o3)c(N3CCCc4ccccc43)nc2c1 143496609 NLDORAJIPPAWNX-UHFFFAOYSA-N 421.456 5.826 0 1 HKAF CCCc1c(OCc2ccc(Oc3ccc(C(=O)O)cn3)cc2)ccc(C(C)=O)c1O 148020252 FZEPVWHNXIQZFG-UHFFFAOYSA-N 421.449 5.012 0 1 HKAF Cc1ccc([C@H](O)c2cccc([C@H](C)CN3CCCC[C@H]3CC3CCCCC3)c2)cc1 253633199 GJBDYIWLLXEWQA-MGONOCMRSA-N 419.653 7.005 0 1 HKAF CC(C)C/C=C/[C@@H](C)[C@H]1CCC2=C3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255197248 AVFWODJEHWOSGS-XQCKDKCUSA-N 400.647 6.280 0 1 HKAF Cn1cc(-c2ccccc2)nc1CCc1cc2ncccc2c2cc(C(F)(F)F)nn12 299827603 LJVSBBFVTOXDPW-UHFFFAOYSA-N 421.426 5.087 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC[C@@H](NCc1ccccc1)C4)-c1ccccc1C2=O 586995369 GHIQHTQHJPGBSS-LJQANCHMSA-N 404.513 5.402 0 1 HKAF CCCn1cnc2cc(-c3nc4cc5ccccc5cc4[nH]3)cc(Br)c21 587003868 NPRWAWQBHXPGLB-UHFFFAOYSA-N 405.299 5.905 0 1 HKAF Cc1nc(COc2cccc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c2)cs1 587020307 MUQKWBXXYKSMOP-UHFFFAOYSA-N 407.392 5.732 0 1 HKAF Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2ccc(OCc3ccccc3)cc2[nH]1 587047994 DWARMVKQFGFETE-IRXDYDNUSA-N 409.316 6.720 0 1 HKAF Oc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)c(Cl)c1 587056846 VBPQUHSJXPVHMS-UHFFFAOYSA-N 402.473 5.114 0 1 HKAF Cc1nn(-c2cccc(-c3nc4cc(Br)cc(F)c4[nH]3)c2)c(C)c1Cl 587065868 ZWJXQHQINMBVDE-UHFFFAOYSA-N 419.685 5.587 0 1 HKAF C[C@@H](c1nc2c(Cl)c(Br)cnc2[nH]1)c1ccccc1C(F)(F)F 587098559 SPVFLOUGBCRJOM-SSDOTTSWSA-N 404.617 5.544 0 1 HKAF Cc1c(Br)cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1C 587134121 IISCSFUWCVZCRR-UHFFFAOYSA-N 405.214 5.454 0 1 HKAF Cc1cc(Cl)cc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c12 587153964 GPVRSQUFBVEJKU-UHFFFAOYSA-N 409.848 5.348 0 1 HKAF Cc1cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1Cl 587159021 LATJONBYLIOOKJ-HXUWFJFHSA-N 401.268 6.486 0 1 HKAF Cc1cc(Br)cc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 587225510 LGABXBLLSMYQLP-INIZCTEOSA-N 408.340 5.390 0 1 HKAF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(Sc4ccccc4)cc3[nH]1)C2 587247227 MVMBYDLFMZOXBH-XMMPIXPASA-N 401.535 5.066 0 1 HKAF CC(=O)[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327460 GOCQCNLCORETQH-FYYLOGMGSA-N 410.828 5.028 0 1 HKAF COc1ccc([C@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587354894 WBTGLZFSVSUMBC-NOZRDPDXSA-N 406.453 5.450 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCc3sc(Cl)cc32)[C@H]1c1ccc(F)cc1 587371489 FAHNLMSSKONTHO-FPOVZHCZSA-N 400.858 5.447 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2ccc(Br)cc21 587372045 NTYKWDGAKFLWIO-QFIPXVFZSA-N 406.279 5.229 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2cccs2)(C2CCCC2)[C@@H]1c1ccc(F)cc1 587378893 WTNIPJRJRGGYJT-ISKFKSNPSA-N 408.494 6.037 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(F)(F)F)nn(-c3ccccc3)c1Cl)O2 587383372 SHNMKVWYJYSMJT-HNNXBMFYSA-N 421.806 5.142 0 1 HKAF CCc1ccc2cc(-c3ccc(C)c(C)c3)c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)n2c1 587394064 QAXHUJYQHQNVRK-SANMLTNESA-N 424.544 6.383 0 1 HKAF COc1cc2c3c(c1)O[C@]1(CCCCC[C@@H]1c1ccccc1C(F)(F)F)[C@@H](C2)C3=O 587422859 VLNZDGPOZSTLQP-FHJLPGHOSA-N 416.439 5.948 0 1 HKAF CCN1CCC[C@H]1Cn1c(C)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587510697 CEDGPAWXQNFMBI-CPJSRVTESA-N 406.570 5.175 0 1 HKAF Cc1ccc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587600375 BFNWDVFTFWJLPS-IGKIAQTJSA-N 408.453 6.071 0 1 HKAF COC(=O)c1cc(-c2[nH]c3ccc(F)c(Cl)c3c2C)cn1C(=O)OC(C)(C)C 587630959 FOEPZRNCPYSGHC-UHFFFAOYSA-N 406.841 5.307 0 1 HKAF COP(=O)(Cc1[nH]c2cc(F)ccc2c1Oc1cccc(C(F)(F)F)c1)OC 587634094 RXEFBEMMHSSIBU-UHFFFAOYSA-N 417.295 6.104 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C)c(Cc3c(C)nc4ccc(C(=O)O)cc4c3Cl)c2c1 587642444 SEXXYIWKSMGFLI-CYBMUJFWSA-N 420.940 6.789 0 1 HKAF COc1cc(Cl)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587691580 GOZWYNXZMDOTOK-WNWIJWBNSA-N 419.121 5.527 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccccc3nc2Cl)N1 587703756 HFTIBUFYZYTYPL-XTZNXHDOSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2SC(F)(F)F)N1 587714502 ABNPYZNYQJHLCX-XXFAHNHDSA-N 420.269 5.824 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(C)(C)C)(c2ccc(F)cc2)N1 587735552 XQSMYIZCSFQPLY-LRTDBIEQSA-N 408.330 5.941 0 1 HKAF Cc1ccc([C@]2(c3ccccn3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587774478 VKNFVLCCKNQIPE-IVZQSRNASA-N 411.318 5.118 0 1 HKAF CCC[C@H](OC)c1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587793869 NXFLCMPTOCGKPJ-JQOQJDEVSA-N 420.366 5.874 0 1 HKAF Cc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587815970 RVODBUQJPIIPJU-XDHUDOTRSA-N 424.357 6.031 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3c(s2)CC(C)(C)CC3)N1 587856986 JUYFMSJADJQHQZ-BTDLBPIBSA-N 409.368 5.183 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(Cl)cc1Cl 587863619 FGRBLUVARBRTIK-UHFFFAOYSA-N 401.215 6.264 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CCCN(CC2CCCCC2)C1 587872005 GRIBMAPIISICJH-HXUWFJFHSA-N 413.537 5.020 0 1 HKAF O=C1CCCN1CCc1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923244 XQNPHVSTMLUFJE-UHFFFAOYSA-N 405.498 5.262 0 1 HKAF Cc1ccc(-c2cc(O)n(-c3c(Br)cccc3-c3cnn(C)c3)c2O)cc1 587934184 CDFOUFICDPHAGJ-UHFFFAOYSA-N 424.298 5.027 0 1 HKAF Brc1ccc(-c2nnc(/C=C/c3ccc(Br)s3)o2)cc1 653793949 NJMNDJXQEHZYMP-SOFGYWHQSA-N 412.106 5.494 0 1 HKAF CCOC(=O)CCC[C@]1(C2CCCCC2)c2cc(OC)ccc2CCN1C(C)C 962096632 YZYVNOITVZOJQI-VWLOTQADSA-N 401.591 5.471 0 1 HKAF COc1ccc2c(c1OC)[C@](c1ccc(C)cn1)(c1ccc(C)cc1C)N(C)[C@H](C)C2 962621502 HAGSHLMKQDNKBM-NFQMXDRXSA-N 416.565 5.192 0 1 HKAF C[C@]1(c2cc3cc(Br)ccc3o2)NCCc2cc(-c3ccccc3)ccc21 962667954 NKHLPQSDUURHGS-DEOSSOPVSA-N 418.334 6.272 0 1 HKAF Clc1ccc([C@]2(Cc3ccncc3)c3ccsc3CCN2Cc2ccco2)cc1 962699964 BGAZZRUSEVMASV-XMMPIXPASA-N 420.965 5.934 0 1 HKAF Cc1ccc([C@@]2(c3ccc(Cl)cc3)c3ccsc3CCN2Cc2ccco2)nc1 962700477 BLGCSGHQYLPWTE-XMMPIXPASA-N 420.965 6.048 0 1 HKAF Cc1cc(C)cc([C@@]2(CCc3ccccc3C)NCCc3c2c(C(C)C)nn3C)c1 962920415 SBJAWOPMUPZACN-HHHXNRCGSA-N 401.598 5.491 0 1 HKAF COc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)c2ccc(F)cc2C[C@@H]2CCCN21 963103855 OFOFKUCGGWYSAP-KDYSTLNUSA-N 413.492 5.532 0 1 HKAF COC(=O)c1ccccc1-c1ccc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)o1 963112892 SUWYCYKYHNNOJR-HXUWFJFHSA-N 402.277 5.275 0 1 HKAF CCCCCc1ccc([C@@]2(c3cccc(Cl)c3)NCCc3ccc(O)cc32)cc1 963330274 WCMAUHZGXQLKJZ-SANMLTNESA-N 405.969 6.216 0 1 HKAF Cc1[nH]nc2ccc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3-c3cccnc3)cc12 1772632994 YFNXOOXGDJLYNX-VWLOTQADSA-N 421.504 5.141 0 1 HKAF CCCc1nn(C)c2c(NCCc3ccccc3F)nc(/C=C/c3ccccc3)nc12 1857569565 JZHRHISQLPVHOF-CCEZHUSRSA-N 415.516 5.280 0 1 HKAF C[C@@](O)(CSc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 1857596664 RJOFKWHKTZPGDU-MRXNPFEDSA-N 423.378 5.206 0 1 HKAF S=C(Nc1cccc(Cl)c1)Nc1nccnc1OCc1ccccc1Cl 1857635841 JDHKAPZLCRWSSO-UHFFFAOYSA-N 405.310 5.171 0 1 HKAF CCCOc1ccc(-c2cc(OCCN(CC)CC)c3cccc(OC)c3n2)cc1 1857636460 JXCAZCGMXHCFIR-UHFFFAOYSA-N 408.542 5.420 0 1 HKAF Fc1ccccc1-c1cc(CNCc2ccccc2)c2cnc3cc(Cl)ccc3n12 1857638246 DUFQZIVWTHSJFD-UHFFFAOYSA-N 415.899 6.237 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)C3=CC[C@@]12C 2356415435 LKHNRKZLWGLUOW-OXHJAXJCSA-N 424.713 8.543 0 1 HKAF CC(CCC(=O)CCCCC[C@H](O)CC1CCCCC1)=C(C)C[C@H](O)C(C)(C)C 2356782321 DQEHNEXJPVNFBV-DQEYMECFSA-N 408.667 6.751 0 1 HKAF COc1ccc(-c2ccc(C(=O)NCc3ccc(F)c(F)c3)c3occc23)c(C)c1 61929387 QTNJEUHYDLCJLC-UHFFFAOYSA-N 407.416 5.625 0 3 HKAF CCSC(C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12)SCC 13746632 QDXJDBBTILTBMC-CVKIWWORSA-N 418.668 6.210 0 1 HKAF CC[C@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4ccc(C)cc4)oc3C)ccc21 28563304 PVTZPAMEGKOLDH-JTHBVZDNSA-N 419.521 5.721 0 1 HKAF CC1(C)C[C@@](CCN(CC(=O)c2ccco2)c2ccccc2)(c2ccccc2)CCO1 72109942 MJJNBXSXEWTNJB-MHZLTWQESA-N 417.549 5.886 0 1 HKAF O=c1c2ccccc2nc(/C=C/c2ccc(Br)cc2)n1Cc1ccccc1 72137680 XVYZVHBKSYWRJV-NTCAYCPXSA-N 417.306 5.378 0 1 HKAF Cc1ccc(Sc2ccc(F)cc2)c(Nc2ncnc3nc(C(C)C)ccc23)c1 73314044 NQFNCBBPDJMZJZ-UHFFFAOYSA-N 404.514 6.491 0 1 HKAF CCCCCn1c(-c2cccnc2)nc2c(NCCCc3ccccc3)ncnc21 82179879 JNHHKUSVKBPHMT-UHFFFAOYSA-N 400.530 5.123 0 1 HKAF Fc1ccc([C@@H]2[C@H](c3ccc(F)cc3)C[C@H]3CC[C@H]2N3CCCc2ccccc2)cc1 100840788 HMCBNLGRMGUNCH-JUDWXZBOSA-N 417.543 6.702 0 1 HKAF O=C(c1ccccc1)N1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1cccs1 103921136 LYLRCBLZTSYUTH-HSZRJFAPSA-N 400.503 6.218 0 1 HKAF NC1(c2ccc(-c3nc4ccc(-c5cn[nH]c5)cn4c3-c3ccccc3)cc2)CCC1 113654906 OFRLOQQQWQBNPQ-UHFFFAOYSA-N 405.505 5.396 0 1 HKAF C[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@@H]1C[C@H]1C 137556321 DSCWSZBNGFQSCJ-QRHBSDHESA-N 414.718 7.715 0 1 HKAF CCCCC/C=C\C[C@H](/C=C/C=C/C/C=C\CCCC(=O)OC)OC(=O)CC(C)C 140483359 OKHPUUNJBPCHEJ-CFDCDSIPSA-N 418.618 6.873 0 1 HKAF CC(C)(C)CC(=O)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 142277226 ZCVKLHHZRWXBOG-UHFFFAOYSA-N 424.508 5.428 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)C[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 204881035 PQYKVCXXAVOWQO-KEDFQAJKSA-N 402.663 6.360 0 1 HKAF CC[C@@H](NC(=O)c1ccc2c(ccn2Cc2ccc(Cl)nc2)c1)c1ccccc1 205608114 UTKFEUWKLHRTKL-OAQYLSRUSA-N 403.913 5.619 0 1 HKAF CC1=C(C(C)C)[C@@H]1C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255214555 HBUXJBGKOKXRBP-OQLLUYOGSA-N 410.686 7.555 0 1 HKAF C/C=C(\CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C)C(C)C 255256202 OSELKOCHBMDKEJ-RWNNUNLGSA-N 412.702 7.945 0 1 HKAF S=C1[C@H](CCCOCc2ccccc2)[C@@H]2CCC[C@@]23C[C@]2(CCN13)OCCS2 263599883 JJZMKOGCLSJYJV-IRMYBRCSSA-N 417.640 5.035 0 1 HKAF Cn1cc(-c2ccc(Oc3nccnc3-c3ccncc3)cc2)c2ncc(Cl)cc21 299834706 SKJVSJPLXYJROT-UHFFFAOYSA-N 413.868 5.538 0 1 HKAF O=C1O/C(=C\c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c2ccccc21 586907742 WGMLKRYSAKYGIE-QPEQYQDCSA-N 409.161 5.013 0 1 HKAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1 586915045 GQYNAYSRWMAGSD-UHFFFAOYSA-N 400.221 5.033 0 1 HKAF Cc1ccc(-n2ccnc2SCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c(C)c1 586966428 NCIVEKKDYIDUOG-UHFFFAOYSA-N 420.435 5.816 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1ccc(Br)cc1C4)-c1ccccc1C2=O 586993813 QDRRWUAGPCWVAY-UHFFFAOYSA-N 412.286 6.088 0 1 HKAF Brc1ccc(NCCc2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 586995725 NGTVVZRIIGAHAB-UHFFFAOYSA-N 422.326 5.559 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587034489 NMURSNMLXFSFFV-GFCCVEGCSA-N 419.337 5.751 0 1 HKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587062288 QRCYKVOIUOHMDU-CYBMUJFWSA-N 405.203 6.298 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc3c(c2[nH]1)CCCC3 587072910 ZXOMYYYRUQHPJW-XEXUKXSGSA-N 411.376 7.115 0 1 HKAF Cc1onc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)c1COc1ccc(Cl)cc1 587075435 IGNBPOPAEUCEGV-UHFFFAOYSA-N 409.660 5.461 0 1 HKAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(Br)cc(Cl)c2[nH]1 587109129 SYFMMEALOIEDCZ-UHFFFAOYSA-N 419.584 5.363 0 1 HKAF N[C@@H](N=O)c1ccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2c1 587140609 DNCWETKGGTYGLV-FQEVSTJZSA-N 410.449 5.524 0 1 HKAF COc1ccc(C(=O)c2ccccc2-c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1F 587143611 ASPIHJGXJRYEQC-UHFFFAOYSA-N 416.239 5.310 0 1 HKAF COc1ccc(-c2ccc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c(F)c2)c(F)c1 587153359 YXKDDZZVLOLETG-UHFFFAOYSA-N 420.337 6.082 0 1 HKAF COC(=O)c1ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 587158059 CYTFHYVAHHDAGY-FQEVSTJZSA-N 410.832 5.310 0 1 HKAF Cc1ccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2c1C 587161291 OSRHPBLZZMEROL-UHFFFAOYSA-N 412.262 5.936 0 1 HKAF c1ccc(Sc2ccc3[nH]c(-c4ccc(CNCc5ccco5)cc4)nc3c2)cc1 587232228 PFAXBCDGOSWVND-UHFFFAOYSA-N 411.530 6.264 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCOc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 587326178 AIACGYLPNNGQRS-GMAHTHKFSA-N 410.828 5.222 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCOc3cc(Cl)ccc32)[C@H]1c1ccc(F)cc1 587331291 PHMCTQVUBPKPRO-JTHBVZDNSA-N 410.828 5.222 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCNc3cc(Cl)ccc32)[C@@H]1c1ccc(F)cc1 587335905 XEGGOGQISGQNDB-GGAORHGYSA-N 409.844 5.255 0 1 HKAF CC[C@]1(c2ccc(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352910 POGWSFSIZNTJNB-ILBGXUMGSA-N 422.452 5.213 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(c3ccccc3)Oc3ccc(Cl)cc31)O2 587378904 FIZGLUAZRBVITM-XMMPIXPASA-N 403.865 5.525 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCSc1ccccn1)(c1ccc(F)cc1)O2 587383889 HJRZVJPLYUZVPA-HSZRJFAPSA-N 408.498 5.154 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccc(F)cc3)nc1-c1ccccc1)O2 587385360 SGJZBIHVCWUMFF-HSZRJFAPSA-N 413.452 5.276 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1OCc1ccc(F)cc1)CC2=O 587470250 FZZFNJBFRCHWAH-SANMLTNESA-N 420.480 5.943 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]31)CC2=O 587483452 CNKNKFQYLQXPNW-PCGJDWNTSA-N 419.565 5.371 0 1 HKAF Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 587500827 YHLWMAAOPYUATD-OAQYLSRUSA-N 410.311 5.526 0 1 HKAF C[C@@]1(c2c(Cl)c(Cl)cc3c2OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587510472 ZAZMKYIQOJFNTK-QFIPXVFZSA-N 419.304 5.524 0 1 HKAF O=C(CC[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3)c1cccs1 587529663 AQOLQTSYZKPLLF-DEOSSOPVSA-N 422.571 6.212 0 1 HKAF COc1ccc(OCc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587531518 GZVZKTVELAJYSY-DEOSSOPVSA-N 404.462 5.453 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2ccccc2F)c1 587569170 PGYOMJPXGLFHOW-OZXSUGGESA-N 412.416 5.901 0 1 HKAF CCCOc1ccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 587587087 FNQSBTSYYZNQQE-RCZVLFRGSA-N 415.445 5.365 0 1 HKAF Cc1onc(-c2ccccc2)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587861 QHHGDNRMWUGWJQ-BWKNWUBXSA-N 413.429 5.233 0 1 HKAF CCCN1CCCc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587597020 UAXRSXOSUSIKEC-OZXSUGGESA-N 415.489 5.258 0 1 HKAF COc1ccc2c(C)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)oc2c1 587615365 GQNMZLTZTWFZTI-HYBUGGRVSA-N 402.402 5.158 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2Br)N1 587677311 KFGCJLWSTDKPLT-BMLIUANNSA-N 413.128 5.148 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)ccc2Cl)N1 587691410 FSYXOEHMXULWAB-VVVCHXIZSA-N 403.122 5.693 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2Cl)(C2CCCC2)N1 587693899 FXDMNEKZAZOMHQ-ZSEKCTLFSA-N 422.769 6.210 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(F)ccc2F)(C(F)(F)F)N1 587701306 CHOKBHMZYHZWNK-VPTHRUTESA-N 424.182 5.207 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCCCF)cc2)N1 587717742 MHHAKQZJZCXZQJ-XCLFUZPHSA-N 410.302 5.124 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccccc3F)no2)N1 587729507 VRIKFVGKEZVSMK-GIGQVBGESA-N 405.242 5.006 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccncc2)(c2ccccc2)N1 587777705 JBAAVEXERQSOSA-OYHNWAKOSA-N 411.318 5.004 0 1 HKAF Brc1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2n1 587783831 HFDXYRSFAADVLD-JYRVWZFOSA-N 406.283 5.470 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccc(-c3ccccc3)cc2)N1 587817465 CFGPTKYUYFSDAY-UPCLLVRISA-N 424.357 6.463 0 1 HKAF CCc1cc(CC)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(CC)c1 587818717 IYNIYXIHHHMDMK-WHEQGISXSA-N 404.367 5.899 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCN(Cc3cccs3)CC2)N1 587850771 FRBJQYOBUXWMBD-RNODOKPDSA-N 423.395 5.137 0 1 HKAF COc1ccc(-c2ccc(-c3nc4nc(Cl)c(Cl)cc4[nH]3)cc2)cc1OC 587928504 HTCMPWZNELWBME-UHFFFAOYSA-N 400.265 5.616 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cc2)cc1OC 587929508 VUDYYHSDZIPFBN-UHFFFAOYSA-N 402.450 5.075 0 1 HKAF Ic1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587955189 HCFPSEFSKOKINX-SFHVURJKSA-N 424.285 5.542 0 1 HKAF COC(=O)c1cc2[nH]c(CCCCCCCCCCCCC(=O)O)nc2cc1OC 587957856 XNMMWCWWDUNQIB-UHFFFAOYSA-N 418.534 5.276 0 1 HKAF CC[C@@]1(Cc2nc3cc(Br)c(F)cc3[nH]2)CC(=O)c2ccccc2C1 587958923 AFMONEBMMLNLNE-FQEVSTJZSA-N 401.279 5.233 0 1 HKAF CCC/C=C/C[C@@H]1C/C=C/C=C(C)/C=C/C=C\[C@@H](O)C/C=C(C)/C=C/C=CC(=O)N1 653717562 UMYFIUGQWGBKLX-ZJNCGWKFSA-N 407.598 6.046 0 1 HKAF O=C(Nc1ccc(O)c(Cl)c1)Nc1nc2ccc(OC(F)(F)F)cc2s1 653915628 INVIWZBFJSKZLF-UHFFFAOYSA-N 403.769 5.198 0 1 HKAF Cc1ccncc1[C@]1(c2cc(Cl)ccc2Cl)NCCc2ccc(F)c(C)c21 962095962 YPYZBQUJGWWUKT-QFIPXVFZSA-N 401.312 5.582 0 1 HKAF Cc1cc([C@@H]2c3ccsc3CCN2Cc2cccn2C)cc(C)c1Br 962399655 RTPKGSRUXRFPIL-OAQYLSRUSA-N 415.400 5.614 0 1 HKAF COc1cc2c(cc1OC)[C@@](c1cccc(F)c1)(c1ccccc1OC)N(C)[C@H](C)C2 962623183 JYIHNLMFQPSUJI-WGDIFIGCSA-N 421.512 5.020 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(Cl)cc2)(c2cccc(C)c2)N1 962955477 MOBZGYXLMKHVBJ-QFQXNSOFSA-N 400.953 6.346 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1c1ccc3c(c1N[C@H]2c1ccsc1)CCCC3 1857563893 QXEBBPGCVMMMOF-JAXLGGSGSA-N 410.583 6.092 0 1 HKAF CC(C)(C)c1ccc(C(=O)Nc2cncc(-c3cc(-c4cccnc4)cs3)c2)cc1 1857654580 VJXKSWAVVJJRLH-UHFFFAOYSA-N 413.546 6.422 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)CC[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 2356414861 SXMHCACYHNPYIF-WKWIIZQQSA-N 402.663 6.360 0 1 HKAF CC(C)=C[C@H](O)CC(C)=CCc1c(O)cc2c(c1O)O[C@@H](c1ccccc1)CC2=O 2356482509 NZQIAPMLLOBATL-FDDCHVKYSA-N 408.494 5.010 0 1 HKAF CCC[C@@H](c1ccccc1)N(CCC)c1nc(-c2ccc(OC)cc2OC)n(C)n1 13610717 DZVQJHYBCIMRMK-NRFANRHFSA-N 408.546 5.257 0 1 HKAF COc1cc(-n2c3ccccc3c3cc(C)cc(OC)c32)cc2c1[nH]c1ccccc12 14611137 YMKKERLGXGTYBK-UHFFFAOYSA-N 406.485 6.744 0 1 HKAF biogenic C[C@@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 27520248 INBGSXNNRGWLJU-FOWDXBOTSA-N 402.663 6.504 0 1 HKAF CCc1nc(SCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2ccccc2n1 27560457 JXGXUTBNNDTBNB-UHFFFAOYSA-N 424.533 5.332 0 1 HKAF Cc1cccc(Cl)c1Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)O)cc1 28521105 HKQASHPSWPBHLX-ZHZULCJRSA-N 407.853 5.296 0 1 HKAF Cc1ccc2cc(-c3nc(-c4ccc([S@](C)=O)cc4)[nH]c3-c3ccncc3)ccc2c1 28823974 MWPCXKSKKQISMH-WJOKGBTCSA-N 423.541 6.005 0 1 HKAF Cc1cc(C)c2oc(-c3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)nc2c1 29049963 YAAOWEUQZXMKOU-UHFFFAOYSA-N 406.869 5.783 0 1 HKAF O=C(c1ccccc1)c1c(-c2ccc(OCCN3CCCC3)cc2)oc2ccccc12 29410099 KQVDHBNZZKOPBZ-UHFFFAOYSA-N 411.501 5.805 0 1 HKAF CCCCc1ncc(/C=C(\Cc2ccncc2)C(=O)O)n1Cc1ccccc1Cl 33988360 SMNPOVIACXEGCA-XMHGGMMESA-N 409.917 5.033 0 1 HKAF CN(Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1)c1ccncc1 40895959 DANMZYPKFBATPO-UHFFFAOYSA-N 408.505 5.220 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4ccc(CN5C[C@H](C)O[C@H](C)C5)cc4)cc3)nc12 45226606 RBCHKZMXDDXCRV-BGYRXZFFSA-N 411.549 5.815 0 1 HKAF CC(=O)N[C@H](C)c1ccc(-c2ccc(Oc3ccc(OC(C)C)cc3)cc2C)cc1 45245073 TZCPNCKHYGHIPU-LJQANCHMSA-N 403.522 6.439 0 1 HKAF CC/C(=C(/c1ccccc1)c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(O)c1 45386504 HVVKLTRLZANDCP-LKUDQCMESA-N 420.505 5.796 0 1 HKAF CC(C)(C)CCc1nc(C(F)(F)F)ccc1CNC(=O)Nc1cccc2[nH]ncc12 49035273 RUQUDACHXCMJAG-UHFFFAOYSA-N 419.451 5.277 0 1 HKAF O=C(O)CCCCCOc1ccc(C(=C2C3CCCC2CCC3)c2ccccc2)cc1 49112417 HOEADMUUOQFQRM-UHFFFAOYSA-N 418.577 7.113 0 1 HKAF CC(C)Oc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1 95596606 AJAMYCGPMGOZMX-UHFFFAOYSA-N 420.896 5.678 0 1 HKAF COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(C(C)C)cc1 96177205 FYEUFXSBGXVIFB-QFIPXVFZSA-N 403.526 5.589 0 1 HKAF Fc1cccc(F)c1[C@@H]1CC(c2ccccc2)=NN1C1=N[C@H](c2ccccc2)S1 98083943 KACHUZFVJUVDJM-UNMCSNQZSA-N 405.473 5.918 0 1 HKAF Cc1cnc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(F)cc2)o1 105191753 ADDVVGADPFVQPI-JKTDJZPLSA-N 406.505 5.729 0 1 HKAF CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)[C@H]1CC[C@@H](Nc2ccccc2)C1 114097426 TVTVNRYRJNAIKK-JTHBVZDNSA-N 422.569 5.113 0 1 HKAF C[C@@H](O)c1ccccc1-c1ccc2[nH]c(/C=C/c3ccc(C(F)(F)F)cc3)nc2c1 117134392 WDSYYVXPVIETFO-XETPBLJFSA-N 408.423 6.472 0 1 HKAF COc1ccc(-c2cc(C(N)=O)nc3cc([C@@H](C)Cc4ccc(C)nc4)ccc23)cc1 205648718 HKNQVFASPZAUHK-INIZCTEOSA-N 411.505 5.059 0 1 HKAF CNCC(C)(C)Cn1c(C(C)(C)C)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1C 220768960 WKGSQJISFMHNTF-UHFFFAOYSA-N 423.523 5.611 0 1 HKAF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@@H]([C@]3(C)CCC(=O)O3)CC[C@]21C 255193397 AHDUWGQSZYSNEY-PPGMHWBLSA-N 416.646 6.128 0 1 HKAF C[C@@H]1C[C@@H](C)CN(Cc2ccc(-c3ccc(CN4C[C@H](C)C[C@@H](C)C4)cc3)cc2)C1 261132116 LJPGMCFDZQFOND-MOUTVQLLSA-N 404.642 6.309 0 1 HKAF C[C@@H]1[C@H]2c3cc(Br)ccc3C[C@@H](c3ccc(Br)cc32)N1C 473235347 YXXJLCVNKYHKIQ-APEXYLGGSA-N 407.149 5.275 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@@H](O)[C@H](C)c4ccc(C)cc4)[nH]c3c2)cc1 586892455 SKRBOWMSXRLGPK-MWTRTKDXSA-N 416.477 5.287 0 1 HKAF CSCC(C)(C)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 586968454 DOELQSLGVOXGAX-UHFFFAOYSA-N 407.461 5.475 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c(-c3nc(Cl)cnc3Br)nc2c1 587005853 WKPYCCMIGBUXOM-UHFFFAOYSA-N 411.996 5.108 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587015121 XRPCCQDNOLIRCK-UHFFFAOYSA-N 405.813 5.637 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5cncc(Cl)c5[nH]4)c23)cc1 587037589 HFQMTQUJPKSWOJ-UHFFFAOYSA-N 423.954 5.884 0 1 HKAF N[C@@H](N=O)c1ccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2c1 587049739 KZAJUSJHFUURMP-QHCPKHFHSA-N 412.880 6.427 0 1 HKAF Fc1c(Br)cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1F 587054221 NBMTYQRKLSGXPU-PLNGDYQASA-N 404.041 6.081 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC(NNc1ccc(Cl)cc1)=CC3 587104222 QHFRDPVZDDSMGF-UHFFFAOYSA-N 423.903 5.699 0 1 HKAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587151600 SWAZMHOCKQYKIH-SSDOTTSWSA-N 421.163 5.762 0 1 HKAF CCCCOc1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2cc1Br 587162143 TXQQFFOTIRBURS-CABCVRRESA-N 403.295 5.915 0 1 HKAF Fc1ccc(/C=C(\c2nc3c(F)cnc(Br)c3[nH]2)c2cccs2)cc1 587164744 VWQDWIJXFXQPLH-WQLSENKSSA-N 418.266 5.649 0 1 HKAF CCCCCOc1cc2nc(COc3ccc(F)cc3)[nH]c2cc1Br 587168833 NXUHNDCWUSZZMH-UHFFFAOYSA-N 407.283 5.613 0 1 HKAF C[C@@H](c1nc2cc(F)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587200072 UUBFMVWUFXSDGU-AWEZNQCLSA-N 416.456 5.039 0 1 HKAF C[C@]12CC(=O)[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@@H]1CC[C@@H]2O 587216032 QPTGIALBTMJGBP-RSQSGWSBSA-N 413.561 5.055 0 1 HKAF Nc1ccc2c(c1)CCCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336421 NJGUECVKXDGOEH-UKILVPOCSA-N 403.453 5.094 0 1 HKAF CC(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 587337483 PPGYSQCNMNODFT-NOZRDPDXSA-N 419.452 5.072 0 1 HKAF CC[C@H](C)c1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 587364523 CMPJNKTYZCVYGH-SFHVURJKSA-N 407.513 7.837 0 1 HKAF COc1ccc([C@@]2(Cc3ccc4ccccc4n3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587394218 DTRFZAZTGRFTNA-HHHXNRCGSA-N 424.500 5.237 0 1 HKAF COc1cc2c3c(c1)O[C@@](Cc1nc4ccccc4s1)(c1ccccc1)[C@@H](C2)C3=O 587452551 OBFDJBPIEVNVQL-BVZFJXPGSA-N 413.498 5.191 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccc(-c4ccccc4)cc1)([C@H]1CCCO1)[C@@H](C2)C3=O 587456513 WETMPBBQDHPLBS-LLGBQNBKSA-N 412.485 5.184 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1c(C)cccc1Cl)CC2=O 587461800 TWGIJBIRCXKINZ-JOCHJYFZSA-N 401.890 5.059 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc(C(=O)OCC)cc1)CC2=O 587472048 XGCYOZNQHWPNRO-HSZRJFAPSA-N 419.477 5.019 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCCCCCCCCCC[C@H](C)C1)CC2=O 587481402 LRGCFGOKZQUGEY-IDISGSTGSA-N 414.630 7.770 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCN3CCCC[C@H]3C)cc1)CC2=O 587482384 ZULKHVFRUQNBAO-CJAUYULYSA-N 423.553 5.304 0 1 HKAF C[C@]1(c2ccc(OCc3ccc(F)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587503411 FEKQJEBFNPQHPY-HHHXNRCGSA-N 416.492 6.164 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1Cc1cccs1 587612745 MVOQZTRJBPQTSU-REWPJTCUSA-N 403.459 5.006 0 1 HKAF O=C(O)[C@@H](c1cccc(Cl)c1)c1c(-c2ccc(Cl)cc2)[nH]c2cccc(F)c12 587632721 JEIPMRFICFEBKX-SFHVURJKSA-N 414.263 6.497 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)ccnc2Cl)N1 587716265 ZDJRIZYZEMLVPY-JKYUHCHBSA-N 423.635 5.279 0 1 HKAF Cc1ccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587742766 TXXYZDJWQUTPOI-VJKDZHPOSA-N 417.366 5.058 0 1 HKAF Cc1cccc(-n2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1C 587751654 AIPFFVHBQLTWOZ-PEBXRYMYSA-N 413.334 5.619 0 1 HKAF CCc1ccccc1-n1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587752069 BLWLMCVJFZYTJA-FPTDNZKUSA-N 413.334 5.565 0 1 HKAF Cc1cc(C)c(C(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587812635 JZFYROPGMZVHCX-NYHFZMIOSA-N 418.350 5.536 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3ccccc3)c2)N1 587814833 JCNWRKOLMHCTNT-IQMFZBJNSA-N 410.330 6.053 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)CN1CCCCCC1 587858997 FSHSMCHZWXMPBA-OAHLLOKOSA-N 424.372 5.408 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2nc3ccccc3s2)N1 587859362 WCDHYLZETLCNAO-WLRWDXFRSA-N 405.336 5.190 0 1 HKAF Cc1cc2c(cc1F)[C@](c1cnc3ccccc3c1)(c1c(F)cccc1F)NCC2 962095145 WHKVLPLTFMORGS-RUZDIDTESA-N 404.435 5.398 0 1 HKAF COc1ccc2c(c1)c([C@H]1c3cc(OC)c(OC)cc3C[C@H](C)N1C)cn2C(C)C 962625012 MBLKWIRFCJKVLT-IVCQMTBJSA-N 408.542 5.214 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCCCCC(=O)OCC)c1ccc(C)cc1 963243574 SQCPUZAIZAIHIZ-QDPGVEIFSA-N 421.625 6.409 0 1 HKAF CN1CCc2c(Br)cccc2[C@@]1(C)c1c(F)cccc1Br 963290111 TZNYGQWJTRUJDW-KRWDZBQOSA-N 413.128 5.102 0 1 HKAF COc1ccc2c(c1)[C@H](c1ccnc(C(C)(C)C)c1)N(Cc1ccc(F)cc1)CC2 963300671 GTJIUXZHWCGYOK-VWLOTQADSA-N 404.529 5.675 0 1 HKAF CCNC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3C4=CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1 1772583020 AIGIGJKVUXCPOQ-IHHOYGEBSA-N 418.581 6.073 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC=C5[C@H](CC[C@H](O)C5(C)C)[C@@H]4CC[C@@]3(C)[C@H]2C1 2356538801 RBANQYSPMJFZBG-GBZGJKCOSA-N 412.702 7.779 0 1 HKAF CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@@H]2CC[C@@H]2[C@H]([C@@]3(C)C=CC(=O)O3)CC[C@]21C 2356649359 JRGYNXKJYVLQBR-YVWOOLFJSA-N 412.614 6.112 0 1 HKAF CC(=CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CO 2356689872 CLACDUUQGFRYIM-PAMFVNDTSA-N 400.647 6.281 0 1 HKAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@]3(C)CCC4=C(CC(C)(C)CC4)[C@]3(C)CC[C@]21C 2356733025 ONKVULBDJSGIEB-NIGJSCOESA-N 410.686 8.131 0 1 HKAF O=C(Nc1scc(-c2ccccc2)c1C(=O)O)c1cccc(Br)c1 2474798 LJEAWCMRCWQSQS-UHFFFAOYSA-N 402.269 5.128 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)N[C@H](Cc1ccccc1)c1ccccc1 3799258 KWPSQNPDYDPKJV-RUZDIDTESA-N 400.566 7.039 0 1 HKAF COc1cccc2c1-c1ccc3c(c1[C@H]([C@@H]1C=C(C)CCC1)O2)C(C)=CC(C)(C)N3 3941473 ZOUVODOOOFQPOC-QYBDOPJKSA-N 401.550 7.150 0 1 HKAF CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccsc2)cc1 4051391 WFLSHUMBLNILPH-GGAORHGYSA-N 418.562 5.454 0 1 HKAF O=C(c1cccc(F)c1)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2 4237929 LLXHFHXCRNYDOT-UHFFFAOYSA-N 414.524 5.153 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccc(F)cc1F)Oc1ccccc1-3 13781710 SPUBTRMPNKJDHZ-FMCGGJTJSA-N 401.456 7.130 0 1 HKAF CC(C)(C)c1csc(/C=C/c2cccc(NC(=O)Cc3ccccc3C(=O)O)c2)n1 27418981 DCIRFLIAIXRMFU-VAWYXSNFSA-N 420.534 5.490 0 1 HKAF CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)Nc1nc2ccc(C(C)C)cc2s1 27999851 SUOPRLKGYNHYSE-GOSISDBHSA-N 402.947 5.659 0 1 HKAF COc1c([C@H](O)C(C)C)ccc2c1C(=O)Oc1cc(C)cc(OCCC(C)C)c1O2 28457075 PPTMZBHUGYXZAQ-OAQYLSRUSA-N 414.498 5.443 0 1 HKAF Cc1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 28711960 ARLXUYKHWSHMLR-SFHVURJKSA-N 409.961 5.146 0 1 HKAF O=C(Oc1cncc(Cl)c1)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 40875761 KFZSDADLMJOSAD-UHFFFAOYSA-N 402.155 5.886 0 1 HKAF C[C@H]1CCCN1Cc1cccc(-c2ccc(C(=O)NCCOc3ccccc3)s2)c1 45188641 DSQKBRTWHLIGCV-IBGZPJMESA-N 420.578 5.208 0 1 HKAF CC[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)O)c1ccccc1 45338979 BUWAGMJUQPCWLH-XMMPIXPASA-N 417.505 5.164 0 1 HKAF CC(C)N(C)C(=O)Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21 45394531 WCDAJLOEBUHCLX-UHFFFAOYSA-N 422.525 5.514 0 1 HKAF Fc1ccc(CN(Cc2ccccc2)Cc2ccc(-c3ccccc3)cc2)c(Cl)c1 49072613 MUGKNTHVZYSDIV-UHFFFAOYSA-N 415.939 7.349 0 1 HKAF Cc1cccc(C)c1-c1cccc([C@@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 96269875 UWFRHONNJJPBLG-DVECYGJZSA-N 416.473 5.434 0 1 HKAF CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccccc1OC 100704857 SKCCMSFUUIDDDG-INIZCTEOSA-N 411.527 5.153 0 1 HKAF FC(F)Oc1ccc(-c2nnc3cncc(Oc4ccc(Cl)c(Cl)c4)n23)cc1 103303337 XMEKRAWNUWCYBR-UHFFFAOYSA-N 423.206 5.492 0 1 HKAF CC(C)c1ccccc1-c1nc(NCc2ccc(-c3cccnc3)cc2)c2nc[nH]c2n1 169340941 CGSMWZPSTDEJQI-UHFFFAOYSA-N 420.520 5.817 0 1 HKAF COc1ccc(-c2c3c(nn2C)CCc2cnc(Nc4ccccc4)nc2-3)c(Cl)c1 169702242 GKRGYFDKBQHIDL-UHFFFAOYSA-N 417.900 5.048 0 1 HKAF CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)cc(C)c1O 238774805 BQZAYGMHUNJOFN-QHCPKHFHSA-N 422.521 5.836 0 1 HKAF CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@H]1CC(O)(c1ccccc1)c1ccccc1 254076619 JENMHGAQDBWNHC-QKDODKLFSA-N 415.577 5.289 0 1 HKAF COC(=O)C[C@@H](CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1 473145204 OYLFOVYZOXILKE-GOSISDBHSA-N 423.896 5.808 0 1 HKAF CC(C)CCOc1cc2nc([C@H](C)Sc3ncccn3)[nH]c2cc1Br 586962933 VBPHEWSGUFDQIY-LBPRGKRZSA-N 421.364 5.394 0 1 HKAF Cc1cnc(Cl)c2[nH]c([C@H](Cc3cccc(Br)c3)CC(C)C)nc12 586983039 UHLILKLNNFGCIS-AWEZNQCLSA-N 406.755 6.055 0 1 HKAF O=C1c2ccccc2-c2cc(Cc3cccc(Br)c3)nc3ccc(O)c1c23 586984039 GCMYXKPFCHKYDL-UHFFFAOYSA-N 416.274 5.505 0 1 HKAF CC(C)(C)c1cccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 587000064 FDXUNAIHTZAMKW-FPLPWBNLSA-N 413.315 5.565 0 1 HKAF COc1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc(Cl)c1OCC(C)C 587046387 QYIAARONCUURMY-UHFFFAOYSA-N 400.693 5.629 0 1 HKAF Fc1c(Br)ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587047697 APAJHYAYDNOMKM-SFYZADRCSA-N 400.078 6.042 0 1 HKAF Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1 587048066 POUXCVLCDRITPS-HZPDHXFCSA-N 411.357 7.292 0 1 HKAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cc(Br)c(F)cc3[nH]2)c1 587052082 XUKFLRVJDNDCKJ-UHFFFAOYSA-N 410.674 5.379 0 1 HKAF Cc1cc(-c2nc3cc(Cl)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587058177 FKRXEQDQCUSQNY-UHFFFAOYSA-N 422.319 5.947 0 1 HKAF Clc1cnc2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2c1 587064213 OZBKGQYBBUKIJB-UHFFFAOYSA-N 423.303 5.965 0 1 HKAF Cc1cc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cc1Br 587074364 UCGQLTNPWYUYKZ-GOSISDBHSA-N 404.739 5.624 0 1 HKAF O=C(O)c1cccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c12 587082531 RAKWGTONTAVLPY-UHFFFAOYSA-N 415.836 5.502 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cnn(-c4cccc(Cl)c4)c3)nc3cccc1c23 587104217 QGKLCWZXPFBUFV-UHFFFAOYSA-N 407.860 5.952 0 1 HKAF CCOC(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)c(F)c4)c(C)c3)nc2c1 587145015 QHXBKHDYJSKZCS-UHFFFAOYSA-N 418.424 5.219 0 1 HKAF COc1ccc(-c2ccc(-c3nc4ccc5nc(C)ccc5c4[nH]3)c(F)c2)c(F)c1 587149714 AFGNZUWHHLVKAJ-UHFFFAOYSA-N 401.416 6.040 0 1 HKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)cc1 587159325 YKVJJYBCNHNKAO-UHFFFAOYSA-N 402.322 6.006 0 1 HKAF COc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(I)c1 587178918 OACNDQYYROBXQL-UHFFFAOYSA-N 419.049 5.150 0 1 HKAF CO[C@H](C)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587346525 JETAWSAONKBNPV-OJJCTEDXSA-N 406.453 5.513 0 1 HKAF Cc1c(C)c(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1C 587349773 CPFIIRKIFYPJEG-XNMGPUDCSA-N 418.508 6.348 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](c2ccnn2C)CC3)c1 587362006 AFIJGJNMGRAKTJ-MRXNPFEDSA-N 409.489 5.663 0 1 HKAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cccc(C)c1C 587400098 NESUJDPWYDZXPG-DEOSSOPVSA-N 417.505 5.488 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](C(c1ccc(F)cc1)c1ccc(F)cc1)CC2=O 587468471 VHRUTBZZGRKFFA-HSZRJFAPSA-N 408.444 5.789 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(C(F)(F)F)c1F 587542586 AHFQCUKMYSLSLI-OXJNMPFZSA-N 404.315 5.253 0 1 HKAF COc1cc(C)c(Cl)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542971 KGPBMYBNIWMESO-WMZHIEFXSA-N 410.853 5.374 0 1 HKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1C(F)(F)F 587549771 ROHRSFWBPDYLCT-RXVVDRJESA-N 400.352 5.422 0 1 HKAF CCC(C)(C)c1ccc(OCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 587564034 FRCIOCJTUIZFOH-UHFFFAOYSA-N 413.390 5.879 0 1 HKAF O=C(O)Cc1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625384 HMQDHNQQLYTWQT-UHFFFAOYSA-N 421.724 6.153 0 1 HKAF Cc1cccc(C(=O)c2c(-c3cc(Cl)ccc3O)[nH]c3ccc(F)c(Cl)c23)c1 587628232 JNVSJPWHANUMMN-UHFFFAOYSA-N 414.263 6.526 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc(Cl)c2Cl)N1 587691082 BRJAUVHGGYUDJZ-HYORBCNSSA-N 423.540 6.172 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCOc3cc(Cl)ccc32)N1 587701554 UYQLJCOTJBYLGH-NSPYISDASA-N 410.714 5.192 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccc(C(F)(F)F)cc2)N1 587716264 UBXMFKKNXKCUON-SVYRJTOJSA-N 414.240 5.896 0 1 HKAF Brc1cnc2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2c1 587784401 RRFFKBGKGVZNAS-FLIBITNWSA-N 406.283 5.470 0 1 HKAF COc1cc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)C 587804894 DAJCMAZWWHQSTH-YEJXKQKISA-N 406.339 5.652 0 1 HKAF CCc1ccc2oc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587827210 IIKQNNUYGIQKQL-XUSGNXJCSA-N 402.307 5.695 0 1 HKAF CC/C=C/C[C@H]1[C@H](CC(=O)O)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587831963 YDRQYHQAZYDAIO-KIELVOHLSA-N 424.354 5.175 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(O)cc3)s2)N1 587845336 DPWMTMZLVSEZMC-YBTHPKLGSA-N 418.331 5.646 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cccc(OC(F)(F)F)c1 587855753 RHZYZAPBORPFFR-UHFFFAOYSA-N 417.214 6.143 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1ccc(-c2ccccc2)cc1 587871712 NPHDWLWZAMUSNM-UHFFFAOYSA-N 401.441 5.835 0 1 HKAF CS(=O)(=O)Nc1ccc(-c2csc(-c3ccc(-c4ccc(O)cc4)cc3)n2)cc1 587924353 UGNJDEWSZXRCNB-UHFFFAOYSA-N 422.531 5.221 0 1 HKAF Cc1cccc([C@@]2(CCc3cccc(Cl)c3)NCCc3ccc(F)c(C)c32)c1C 962297145 ILVWNXRSZKHXGN-AREMUKBSSA-N 407.960 6.426 0 1 HKAF O=C(O)CCC[C@]1(c2ccc(Cl)s2)c2ccsc2CCN1Cc1ccco1 962708731 JWOVEFDNLIDUNB-HXUWFJFHSA-N 421.971 5.613 0 1 HKAF O=C(O)c1cc(Cl)c([C@@H]2c3ccsc3CCN2Cc2cccnc2)c(Cl)c1 962998926 XAZOGGANJSLKQR-IBGZPJMESA-N 419.333 5.296 0 1 HKAF Cc1cc([C@H]2c3ccc(F)cc3C[C@H]3CCCN23)cc(C)c1OCc1ccccc1 963100763 JGGAANBGVDNDQC-RSXGOPAZSA-N 401.525 6.131 0 1 HKAF COc1ccccc1CC[C@@H]1CN(Cc2c[nH]c3cccc(F)c23)CCC1(F)F 1772597780 MMNKQNHQNDNRGN-GOSISDBHSA-N 402.460 5.406 0 1 HKAF O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCCN1c1ccc(-n2ccnc2)cc1 1772626801 NKGJSYNBNHQSCL-VWLOTQADSA-N 408.505 5.147 0 1 HKAF CNc1cc(Cl)ccc1-c1cnc2n[nH]c(-c3cc(OC)c(OC)c(OC)c3)c2c1 1857578078 NFGFOROTEKJMHG-UHFFFAOYSA-N 424.888 5.013 0 1 HKAF CCCc1nn(C)c2c(NCCc3ccc(Cl)cc3)nc(/C=C/c3ccco3)nc12 1857597639 NVHQRTYXRDLAHX-VAWYXSNFSA-N 421.932 5.387 0 1 HKAF O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2nc(-c3cccc(O)c3)ccc12 1857629059 BZRAGPBJSBRQDM-UHFFFAOYSA-N 412.533 6.152 0 1 HKAF O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ncccc1OCc1ccccc1Cl 1857655081 RMRCNFZSWJEHDS-UHFFFAOYSA-N 422.699 6.265 0 1 HKAF CC(=O)Nc1ccc(-c2c([C@H](OC(C)(C)C)C(=O)O)c(C)nc3ccccc23)cc1 1857766574 SUJAVHKQXMKMTR-QFIPXVFZSA-N 406.482 5.109 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1[C@H](O)C=C2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356309654 ZOAXOAKEGDZGLC-KGTQRMITSA-N 402.663 6.360 0 1 HKAF C[C@](O)(CCCCCCCCC=CC=Cc1ccccc1)C[C@@]1(C)OC(=O)C[C@H]1O 2356344504 BBUUFCRHKRIKHW-DMTNHVFBSA-N 414.586 5.584 0 1 HKAF COc1ccc2c(=O)c3c(oc2c1)O[C@](C)(CCC=C(C)CC(=O)CC(C)C)[C@@H]3C 2356647872 WODHGNNMBPUNHS-CRICUBBOSA-N 412.526 5.788 0 1 HKAF CC(C)CC(C)(C)C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356791560 IRUMHQHMEQWWER-XZNFPBLRSA-N 414.718 8.025 0 1 HKAF CC(=CCCC(=CC(=O)O)C(=O)O)CCC=C(C)CC[C@H]1[C@@H](C)C(=O)CCC1(C)C 2356792968 KDHQVPXRPYDYFP-CTNGQTDRSA-N 418.574 5.957 0 1 HKAF CC(C)=CCC[C@H](C)C[C@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@H](c2ccc(F)cc2)O1 72137980 BRAXKJFXROHXHC-VHFSOBRXSA-N 402.535 5.375 0 3 HKAF CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N1CCOCC1 4215570 SGRSKAQWPPTBLO-DQEYMECFSA-N 420.553 5.226 0 1 HKAF Cc1ccc([C@H](C)Nc2cccn([C@@H](CN3CCCC3)c3ccccc3)c2=O)cc1 13488458 DLOLFQZEKAMAKM-OFVILXPXSA-N 401.554 5.015 0 1 HKAF CCOc1ccccc1CN1CCC[C@H](c2nc(C)ncc2-c2ccc(F)cc2)C1 20997614 YYVBPIGLQNVHLV-NRFANRHFSA-N 405.517 5.369 0 1 HKAF CC(C)CCC1(C(=O)Nc2cc(Cl)ccc2SC(=O)C(C)(C)C)CCCCC1 26574906 TURBPAKUUPDMHO-UHFFFAOYSA-N 424.050 7.330 0 1 HKAF CCCCCCC1(CCCCCC)Cc2c(cc(C(C)(C)C)c(O)c2C(C)(C)C)O1 26837756 RRWLJZSMVYCTBL-UHFFFAOYSA-N 416.690 8.602 0 1 HKAF CSc1ccc(CSc2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1 27524908 DIEOTHHMFIRZQG-UHFFFAOYSA-N 423.994 6.806 0 1 HKAF O=C(c1cccc(COc2c(Cl)cccc2Cl)n1)N1CCC[C@@H]2CCCC[C@H]21 29049340 YEAFQKGRTAFYMI-MGPUTAFESA-N 419.352 5.762 0 1 HKAF CC[C@H](c1ccccc1)C(c1ccc(OC(C)=O)cc1)c1ccc(OC(C)=O)cc1 29251582 FIPPGLGGVVLMKL-RUZDIDTESA-N 402.490 5.863 0 1 HKAF CC[C@H](C)CCCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO 34167417 YTEYDCRHTOEYAS-XZOQPEGZSA-N 400.644 6.171 0 1 HKAF biogenic Cc1nc2nc(-c3ccccc3Cl)cn2c(-c2ccc(Cl)cc2Cl)c1CN 34630425 COMQMEVPZHAYNF-UHFFFAOYSA-N 417.727 5.791 0 1 HKAF c1ccc(C(c2ccccc2)[C@H]2CC[C@@H]3CN2CCN3c2ccc3ccccc3c2)cc1 36271481 BKGVRURENLJXJR-FQLXRVMXSA-N 418.584 6.325 0 1 HKAF CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CCC2)cc1 40913740 DHZHDFSWNDEXHA-UHFFFAOYSA-N 419.569 5.308 0 1 HKAF O=C(Nc1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)s2)c1)c1ccncc1 45228897 UNXSEBPMTWEGFL-UHFFFAOYSA-N 414.465 5.745 0 1 HKAF CC(C)c1nc(Nc2cccc3c2C[C@H](O)CC3)oc1-c1ccc(C(F)(F)F)cc1 53314169 LCTMCXQKUVJCME-QGZVFWFLSA-N 416.443 6.077 0 1 HKAF COc1cccc([C@@H](C)NC(=O)c2cc(C)c(-c3ccc4[nH]nc(C)c4c3)s2)c1 63298379 UAQJVFADAYIBGC-CQSZACIVSA-N 405.523 5.408 0 1 HKAF FC1CCN(Cc2cccc(-c3nc(-c4cccc(Cl)c4Cl)c[nH]3)c2)CC1 66252702 KFTAKMIHRUBOSY-UHFFFAOYSA-N 404.316 5.984 0 1 HKAF O=C(c1sc(-c2ccccc2)nc1-c1ccccc1)N1CCC(N2CCCC2)CC1 71340932 ITGNQXDGWSCKRP-UHFFFAOYSA-N 417.578 5.178 0 1 HKAF Cc1nc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccccc2F)oc1C 82176142 FWIZZNFKPUCWNU-UHFFFAOYSA-N 422.891 5.863 0 1 HKAF COc1ccc(Oc2c(Cl)cnn(Cc3ccc(-c4ccccc4)cc3)c2=O)cc1 95593916 ZDRZYQUYMDWZBU-UHFFFAOYSA-N 418.880 5.413 0 1 HKAF COc1cccc([C@@]2(O)/C(=C/c3ccccc3)CCC[C@H]2CN(C)c2ccccc2)c1 98084562 QHGNABMBLIIATG-BEPOJGDSSA-N 413.561 5.903 0 1 HKAF CCOc1cc([C@@H]2/C(=C(\O)OC(C)C)C(C)=Nc3nc4ccccc4n32)ccc1O 103657752 FTZKYBQYECLVCB-JBCNATCCSA-N 407.470 5.031 0 1 HKAF FC(F)(F)c1ccnc(Nc2ccc(Oc3ncccc3-c3ccccc3)cc2)c1 139250161 XWZNMOLWONEQNQ-UHFFFAOYSA-N 407.395 6.698 0 1 HKAF C[C@H](c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1)N1CCCCC1 165475312 WBKBOJJKNZSLIG-OAHLLOKOSA-N 404.535 5.662 0 1 HKAF CC1(C)CC(=O)[C@@H]2C(=Nc3ccc(C(=O)O)cc3N[C@H]2c2c(F)cccc2Cl)C1 169722091 LGUKSKUMIRVUCO-PMACEKPBSA-N 414.864 5.422 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cn1cnc2c1c(=O)ncn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c1ccccc1-c1nc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)ncc1-c1nc(C)c(C)o1 299882825 QJQZCOWGPHUYFD-ALALXSPKSA-N 416.569 6.206 0 1 HKAF Brc1cnc(Br)c2[nH]c(CCc3cc4ccccc4o3)nc12 586904571 XGBDUTWBKPRMEA-UHFFFAOYSA-N 421.092 5.014 0 1 HKAF CC1(C)COc2c(-c3nc4cc(Br)c(Br)cc4[nH]3)cccc21 586912785 VSWUPMCQQKGXAI-UHFFFAOYSA-N 422.120 5.425 0 1 HKAF O=[S@@](Cc1nc2cc(Cl)cc(Cl)c2[nH]1)C(c1ccccc1)c1ccccc1 586961001 ROQJTMXKFMFDOU-MHZLTWQESA-N 415.345 5.908 0 1 HKAF Cc1ccc(-n2ccnc2SCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(C)c1 586966129 GRLRCDHXDLRIDA-UHFFFAOYSA-N 406.408 5.214 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@H](c1ccc(Cl)cc1)CCCC4)-c1ccccc1C2=O 586994262 WYFJOVOVTQMFMT-IBGZPJMESA-N 423.943 7.266 0 1 HKAF Nc1ccc(-c2ccc3nc(-c4csc(-c5ccc(Cl)cc5)n4)[nH]c3c2)cc1N 587015457 DSXCBPRVKJRNFT-UHFFFAOYSA-N 417.925 5.838 0 1 HKAF Fc1cc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2c(F)c1F 587020453 AXWQRRBOLQXTTP-UHFFFAOYSA-N 423.423 5.909 0 1 HKAF Nc1c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)sc2cc(Br)ccc12 587033258 YAEYGUXRCMIGDV-UHFFFAOYSA-N 413.127 6.096 0 1 HKAF Fc1c(Cl)cc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1F 587068900 BKQNAOTXERBSSB-UHFFFAOYSA-N 405.231 6.394 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(Cn3ccc4ccc(Cl)cc43)nc2c1 587079410 DNQMZNBVTUBNDW-UHFFFAOYSA-N 417.740 6.257 0 1 HKAF O=C(O)c1ccc(-c2cc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)ccc2F)cc1F 587138209 BXLUCRDDVAJUIW-UHFFFAOYSA-N 419.309 5.287 0 1 HKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1F 587152481 OJOPHLXEWBVRDS-IUCAKERBSA-N 417.175 5.894 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(C(F)(F)F)cc3[nH]2)c(Cl)c1 587159952 ZIUHGHILINVQMA-IBGZPJMESA-N 420.793 6.543 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3ccc(Cl)nc32)[C@H]1c1ccc(F)cc1 587330753 OYVZXECPJAIQDO-REWPJTCUSA-N 409.844 5.170 0 1 HKAF CC(C)(C)Oc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587344428 CMEOJZDMYIXDMG-BVAGGSTKSA-N 420.480 5.983 0 1 HKAF COc1cccc(-c2cc(-c3cccc4c3CCCC4)nc3c2oc2ccccc23)c1 587364904 FVXVKFIAHRYYQN-UHFFFAOYSA-N 405.497 7.202 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)(c1ccc(Cl)c(Cl)c1)O2 587377299 VXQHSLGYNSQOEF-QHCPKHFHSA-N 412.316 5.987 0 1 HKAF CCCc1c(O)ccc2c1O[C@](COC(=O)c1ccccc1F)(C(C)(C)C)CC2=O 587465752 HHYGNNDSTCEFFY-XMMPIXPASA-N 414.473 5.091 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)cc(CN3CCC(C)CC3)c1C)CC2=O 587474001 DSCOCFRNVOVILQ-AREMUKBSSA-N 421.581 5.900 0 1 HKAF CCCc1c(O)ccc2c1OC(Cc1ccc(C)cc1)(Cc1ccc(C)cc1)CC2=O 587488741 LWJDDWXZMZYZIQ-UHFFFAOYSA-N 414.545 6.151 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(C)c(C)cc1C)CC2=O 587489221 NPKSFMHUDJNZGV-HHHXNRCGSA-N 400.518 6.179 0 1 HKAF C[C@@]1(Cc2ccc(Cl)cc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587506948 ZEUZFJVWFBOKPB-OAQYLSRUSA-N 419.746 5.948 0 1 HKAF CC[C@@H](C)c1ccc(NC(=O)C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587514921 XQSFHBUTYJDHFF-QUGAMOGWSA-N 405.538 5.832 0 1 HKAF O=C1CC2(Oc3c1ccc1c3CCCC1)c1ccccc1N(C[C@@H]1CO1)c1ccccc12 587518109 AWNANJLLVYSEFO-LJQANCHMSA-N 423.512 5.325 0 1 HKAF Cc1cccc(C)c1-n1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587574582 BRHDJDYXPSZAHX-GJZUVCINSA-N 411.457 5.503 0 1 HKAF Cc1nc(-c2ccccc2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587615950 YEPYTCYZWOZNQI-AUSIDOKSSA-N 415.470 5.527 0 1 HKAF CCc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2ccccc12 587618921 VNJZMAIHSXYPJT-SQJMNOBHSA-N 400.430 5.578 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)ccc2Cl)N1 587711035 IWRFQJMKKXZWHA-PWJLMRLQSA-N 422.647 5.884 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(OC(F)(F)F)c2)N1 587723220 VSPWEUVQBHDYAG-BCTVWOGZSA-N 422.191 5.250 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2Br)N1 587726300 ICLCJLOBDVZPOX-BCTVWOGZSA-N 417.091 5.113 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3cc(O)ccc3c2)N1 587830245 CGWJHTHMVNQYRU-LAJNKCICSA-N 400.291 5.245 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1cccc(C(F)(F)F)c1 587870963 MLNREKNOSFNYES-UHFFFAOYSA-N 409.408 5.352 0 1 HKAF CC(C)c1ccc(-c2cc(O)n(-c3cccc(-c4cccc(C(=O)O)n4)c3)c2O)cc1 587938257 SEZIJECOEBMMRT-UHFFFAOYSA-N 414.461 5.439 0 1 HKAF COc1ccc(OC(C)(C)C)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 587940345 IMSNMFVENWWRPZ-UHFFFAOYSA-N 417.547 6.930 0 1 HKAF COc1cc(-c2ccccc2)c(OC)n1CCOc1cc(C)c(Cl)cc1C(C)C 587943275 SWSQHPORGHGMNX-UHFFFAOYSA-N 413.945 6.337 0 1 HKAF Oc1cc(-c2ccccc2Cl)c(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 587944715 GQELLZKDZWYCPP-KRWDZBQOSA-N 411.860 6.174 0 1 HKAF COc1cccc(-c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3)c3ccncc23)c1 653762373 MTCTXNJUDDUWQQ-LOSJGSFVSA-N 408.501 5.330 0 1 HKAF Oc1ccc2c(c1)[C@]1(C[C@@H](c3ccccc3)O2)NCCc2cccc(-c3ccccc3)c21 962672273 XXWRKPUPPWEACU-YTMVLYRLSA-N 419.524 5.972 0 1 HKAF O=C1CCS[C@@H](c2ccc(F)cc2)N1CCNc1ccnc2cc(Cl)ccc12 1772574005 WLSZSFMXVMRPSV-NRFANRHFSA-N 415.921 5.104 0 1 HKAF Cc1c(C)c2ccc(OC[C@@H]3CCCN(Cc4ccc(Cl)cc4)C3)cc2oc1=O 1857548036 KXMJQJOYAYCUTN-LJQANCHMSA-N 411.929 5.354 0 1 HKAF COc1ccc(NC(=S)Nc2ccc3c(c2)C(C)(C)CC(C)(C)S3)cc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c1c(-c2ccc(F)cc2)noc1-c1c(F)cccc1Cl 776820 CMESSDBOWSNSLZ-UHFFFAOYSA-N 402.828 5.613 0 1 HKAF COc1cccc(OC)c1OCCNC[C@H]1Cc2ccccc2[C@@H](c2ccccc2)C1 13473092 BJGAWQMDTQOSCU-GBXCKJPGSA-N 417.549 5.067 0 1 HKAF COc1cc2c(C)nnc(Cc3c(Cl)cncc3Cl)c2cc1OC1CCCC1 13536060 VNQSENKMPYKPJX-UHFFFAOYSA-N 418.324 5.561 0 1 HKAF C[C@@H](O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 26948249 CFGZNBTZRKMBCN-MRXNPFEDSA-N 408.954 6.084 0 1 HKAF CCN[C@H](c1c(Cl)cccc1Cl)[C@H](NCC)c1c(Cl)cccc1Cl 28764742 NVUUFFOEABCOCG-QZTJIDSGSA-N 406.184 6.302 0 1 HKAF CCP(=O)(CC)Cc1cccc(C(=O)Nc2cc(-c3cccs3)ccc2N)c1 40401491 SDIHBLAEKOVFRY-UHFFFAOYSA-N 412.495 6.153 0 1 HKAF O=C(NC1(c2ccccc2F)CCC1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1 45321449 DSKPTPDIDFLVRX-RTBURBONSA-N 404.485 5.560 0 1 HKAF CCC(NC(=O)Nc1cc(-c2ccccc2)ccc1OC)(C(F)(F)F)C(F)(F)F 68573293 SBDFWVHUCYDFFA-UHFFFAOYSA-N 420.353 5.757 0 1 HKAF biogenic C[C@@]1(c2cc(Cl)cc(CC(=O)c3nc4ccccc4s3)c2)CCSC(N)=N1 96174276 HVKAFQKCRCYTSK-FQEVSTJZSA-N 415.971 5.042 0 1 HKAF Cc1cc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2N)ccc1Cl 96940287 JSSSERZOGWBRRR-UHFFFAOYSA-N 402.929 5.755 0 1 HKAF CCCCSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)/C(=C(/O)OCC)C(C)=N2 104060285 VBQMNYQVIXIBBV-CFBLSMTOSA-N 406.939 5.325 0 1 HKAF CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccc(C)o2)C2=C(O)CC(C)(C)CC2=N1 104097076 LOPURPLPWSVZNF-HSZRJFAPSA-N 411.542 6.298 0 1 HKAF COc1ccccc1CN(c1cc2ccccc2s1)S(=O)(=O)c1ccccc1 115231986 JSTKACOJNVVZAC-UHFFFAOYSA-N 409.532 5.305 0 1 HKAF CC(C)(C)C(=O)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 142186314 AYDFYSCNRNNMGE-UHFFFAOYSA-N 410.481 5.038 0 1 HKAF Cc1ccc(-c2ccc(CNc3nc(-c4ccccc4C(C)C)ncc3F)cc2)cn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endogenous,in-man O=C(Nc1cc(-c2ccc3[nH]c(=NC4CC4)sc3c2)cnc1Cl)c1ccccc1 474608449 MABJHKMPCZXFBN-UHFFFAOYSA-N 420.925 5.260 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(Cc4ccccc4)s3)nc3ccc(O)c1c23 586993832 JPAPEBFGIZTLDK-UHFFFAOYSA-N 419.505 6.471 0 1 HKAF CCOC(=O)c1ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c1 587015645 UMIZBSGYOXYXFF-UHFFFAOYSA-N 418.305 5.837 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(OCCN(C)C)ccc4[nH]3)c21 587030531 GUUGWWFBXJXVJI-INIZCTEOSA-N 420.582 5.462 0 1 HKAF O[C@@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccccc1Cl 587058823 JOCFOEBQIKLXFG-CYBMUJFWSA-N 405.601 5.079 0 1 HKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 587068607 CYKIXIKJACTCKU-QMMMGPOBSA-N 413.102 5.404 0 1 HKAF COC(=O)[C@@H]1Cc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)-c2ccccc21 587098406 RCMSIMWBCJLSFP-HXUWFJFHSA-N 405.453 5.234 0 1 HKAF COc1ccc2c(c1)-c1nc3c(C)ccc4c3c(c1CCS2)-c1ccccc1C4=O 587101347 FYSFUVHNJUIATJ-UHFFFAOYSA-N 409.510 6.078 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(CN5CCCC5)cs4)nc13)-c1ccccc1C2=O 587102276 MWSFHYNWHWQSIT-UHFFFAOYSA-N 410.542 6.079 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(Br)cnc3F)nc3cccc1c23 587104886 WMANJRCVOYPTHC-UHFFFAOYSA-N 405.226 5.410 0 1 HKAF O=C(COc1ccccc1-c1nc2cc(Cl)cc(F)c2[nH]1)Nc1ccccc1F 587154159 LKLFVUXHSOESQQ-UHFFFAOYSA-N 413.811 5.179 0 1 HKAF O=C(CCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)Nc1cccc(F)c1 587163539 RDCXTHSFSKAWQY-UHFFFAOYSA-N 416.481 5.550 0 1 HKAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587167628 PDQHGXSPPUFESJ-MRXNPFEDSA-N 410.346 5.229 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587191112 KVQRCZYAMCBOIU-QGZVFWFLSA-N 406.313 5.826 0 1 HKAF O=C(N[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccccc1 587219645 OULSNXCYGDLHTP-LJQANCHMSA-N 413.374 5.240 0 1 HKAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 587242543 VBMXSWQZFYVYCG-UHFFFAOYSA-N 406.711 5.630 0 1 HKAF CC(C)(C)c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587354146 NBBSJHYEHNHSBV-BVAGGSTKSA-N 404.481 6.103 0 1 HKAF COc1ccc(Sc2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587409838 JQLUIUSUJGJTGW-OAQYLSRUSA-N 421.518 5.452 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3[C@H]4CCC5=C(CCC(=O)C5)[C@H]4CC[C@@]31C)O2 587410205 YWPNBOOBYHEUKZ-HWGCGWIPSA-N 419.565 5.567 0 1 HKAF Cc1ccc(C)c(Nc2nc(C)c([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)s2)c1 587413137 MNRYNIVWUPGVNU-HSZRJFAPSA-N 407.539 5.583 0 1 HKAF CCSc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1Cl 587450406 FVVAGEMXVZXWQU-ZUOKHONESA-N 409.334 5.777 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](CCC)N1CCCC1)CC2=O 587473748 BWAOVQBDHCHWOL-AOYPEHQESA-N 407.554 5.470 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OC/C=C/c1ccccc1)CC2=O 587477061 DPTBCOPEYIDORH-ZDADTQBUSA-N 414.501 6.143 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3ccc(OCC)cc3)o1)CC2=O 587479832 JQHJISYOJYTQKP-DEOSSOPVSA-N 422.477 5.622 0 1 HKAF O=C1C[C@](Cc2ccc(Cl)cc2)(c2cccc(F)c2)Oc2c1ccc1c2CCCC1 587501930 GXHDGPFITJDNBX-AREMUKBSSA-N 420.911 6.461 0 1 HKAF COC(C)(Cc1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1F)OC 587508718 ZUYITWIDACMGDT-XMMPIXPASA-N 412.501 5.137 0 1 HKAF COc1cccc(NC(=O)C(C)(C)C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587511348 JYRSUWVWHHBVQU-NRFANRHFSA-N 407.510 5.265 0 1 HKAF C[C@@]1(Cc2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540963 CLODMEDCWMTGRV-KNQAVFIVSA-N 415.272 5.662 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC2CCCC2)cc1O 587601618 UJKYTELTPDEMGB-DHLKQENFSA-N 418.445 5.122 0 1 HKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc2c1OC(C)(C)C2 587616200 JBUMTCYYIPIWQX-YKSBVNFPSA-N 402.446 5.117 0 1 HKAF Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587678048 MUJNFEJHOKWIEV-BTDLBPIBSA-N 413.128 5.283 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2C[C@@H]2c2ccccc2Cl)N1 587700550 UUDMGIABVRKFQJ-INYKDOSESA-N 408.742 5.795 0 1 HKAF Cc1cc(C(F)(F)F)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587712394 PLWKMDWGXNWERE-BMLIUANNSA-N 402.229 5.539 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)cnc2Cl)N1 587715031 QXRCTQPYXSGNLW-UOWDBTKRSA-N 423.635 5.279 0 1 HKAF CN1CCN(c2ccc3nc(/C=C\c4ccc(OCc5ccccc5)cc4)[nH]c3c2)CC1 587784896 VUCKMOWQMYKMKS-ZROIWOOFSA-N 424.548 5.064 0 1 HKAF CCOc1cc(OCC)cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587801147 JADDBLLLDMHAQG-YEJXKQKISA-N 422.338 5.183 0 1 HKAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)(C)C 587805231 DTURYHXVZAXGJC-WHEQGISXSA-N 420.366 5.692 0 1 HKAF COc1ccc2c(C)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)oc2c1 587828959 PHXSWWHZBKESFZ-DGIBIBHMSA-N 404.279 5.275 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCOc3cc4c(cc32)CCC4)N1 587834803 MIEBGDWQMPQQCA-MCMMXHMISA-N 416.334 5.027 0 1 HKAF CC[C@]1(C)C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2O1 587835926 XTTRAABTAILNTR-JDORSLCVSA-N 404.323 5.317 0 1 HKAF COc1cccc([C@@H](C)Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 587930399 HSVYKVLMDWGYRM-JTQLQIEISA-N 413.237 5.699 0 1 HKAF Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1c2ccsc2CCN1Cc1cccn1C 962374185 OQHLIWYYFFBPOO-DEOSSOPVSA-N 420.557 5.176 0 1 HKAF COc1ccc2c(c1OC)[C@](c1ccc(C)cn1)(c1ccc(C)cc1C)N(C)[C@@H](C)C2 962621493 HAGSHLMKQDNKBM-CCLHPLFOSA-N 416.565 5.192 0 1 HKAF CCCCOc1ccc([C@@H]2NCCc3cccc(-c4ccccc4)c32)cc1OCC 962673272 WLWNWFIRHQLANX-MHZLTWQESA-N 401.550 6.166 0 1 HKAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](c2ccc(Cl)c(F)c2)(C2CCCCC2)N1 962906176 XDDVDRYQSQUIOK-RBBKRZOGSA-N 405.872 5.041 0 1 HKAF FC(F)(F)c1cccc2c1[C@@H](CCc1cccc(Cl)c1)NCC21CCOCC1 962951209 GHZSMZSMPFJNAJ-LJQANCHMSA-N 409.879 5.684 0 1 HKAF C[C@@H]([C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](O)CCC(C)(C)F 1857536512 HAAJKVUMSLGIDT-FNBLEXDZSA-N 420.653 6.452 0 1 HKAF Clc1ccc(-n2cc(COc3ccc(-c4nc5ccccc5[nH]4)cc3)nn2)cc1 1857537356 NKOWYRNEVSSYKQ-UHFFFAOYSA-N 401.857 5.043 0 1 HKAF COc1ccccc1OCCNCCCCOc1cccc2[nH]c3ccccc3c12 1857540489 XHKVGBMBQWQWQF-UHFFFAOYSA-N 404.510 5.157 0 1 HKAF Cc1ccccc1[C@H](NC(=O)c1ccc2cccnc2c1)c1ncccc1C(F)(F)F 1857766829 QYVLMTPSKPAZJO-NRFANRHFSA-N 421.422 5.476 0 1 HKAF CC(=CCN1[CH]N(C)c2ncnc(N)c21)CC[C@]1(C)C2=CCCC(C)(C)[C@@H]2CC[C@H]1C 2356304609 UZYCIJHYYJMHIN-KYTVRQNUSA-N 422.641 5.960 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC=C2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 2356313052 OGQJUYXFIOFTMA-DYEYLAKDSA-N 412.702 8.089 0 1 HKAF CO[C@@H]1OC[C@@]23CCC[C@@]1(C)[C@@H]2CC[C@]1(C)[C@@H]2Cc4ccccc4O[C@@]2(C)CC[C@@H]13 2356564233 VYTRYBMUYJDNIN-WKDDSVOISA-N 410.598 6.002 0 1 HKAF CC(C)CCC[C@](C)(O)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356600065 XSGAQCLMXROKDH-NHENEEKASA-N 418.662 5.474 0 1 HKAF CN(CC1CCCCC1)[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 206041155 LGHIJUZLJGNFSS-ARXPIFDKSA-N 422.657 5.681 0 3 HKAF CC1[C@H](O)CC(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)CCCC(C)(C)O)C[C@H]1O 4394161 OZPNRDQPQFOURL-GJUAWHTOSA-N 418.662 5.785 0 1 HKAF Cc1ccc(NC(=O)CCC(=O)N2Cc3ccccc3Oc3ncccc32)cc1Cl 8598946 GPWZSEZERDPXTN-UHFFFAOYSA-N 421.884 5.101 0 1 HKAF CCCCCN(CCCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 13560040 FHQLVDDFLBGDOO-UHFFFAOYSA-N 404.554 6.227 0 1 HKAF C[C@H](c1ccc(C2CCCCC2)cc1)N1CCC(N2C(=O)Cc3ccccc32)CC1 13579328 KVNPCTLYRRUZDP-HXUWFJFHSA-N 402.582 5.849 0 1 HKAF O=C1NCc2nc(SCc3ccccc3)ccc2N1c1c(Cl)cccc1Cl 13587258 HYSYLELHZJCISX-UHFFFAOYSA-N 416.333 6.042 0 1 HKAF O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc(-c4ccsc4)cc3)ccc21 14977075 YHQDLCWZPPUBLZ-IBGZPJMESA-N 408.519 5.768 0 1 HKAF COC(=O)c1ccc(-n2nc(C=O)c3c2[C@@H](Cc2cccc4ccccc24)CCC3)cc1 26575752 HBGHZWDVPQWKOM-OAQYLSRUSA-N 424.500 5.287 0 1 HKAF COc1ccc(C[C@@H]2NCCc3c2[nH]c2ccc(C4CCCCC4)cc32)cc1OC 26665762 BNKIQBGUWLBPAV-QHCPKHFHSA-N 404.554 5.662 0 1 HKAF CC(C)(C)CNC(=O)[C@@]1(Cc2ccccc2)CCc2ccc(Cc3ccccc3)cc21 26675536 JYGMGOJJQFYGHI-GDLZYMKVSA-N 411.589 5.866 0 1 HKAF Cc1cc2c(CC(=O)O)csc2cc1OCc1cc(-c2ccc(Cl)cc2)on1 28822707 ZVKBDHBUPHRNRS-UHFFFAOYSA-N 413.882 5.724 0 1 HKAF CC(C)CC(=O)OC[C@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2CC[C@@H]1C3 36088399 ZOILZTWSQHWPGH-AAJQSNIOSA-N 404.591 5.689 0 1 HKAF biogenic,in-vivo CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1[C@@H](O)[C@@H]3O 72180403 VCEUWUOZLFOWIB-BYOHLECUSA-N 420.678 5.410 0 1 HKAF O=C(O)/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1Cl 82152046 SFGFSBFYDJPXEQ-GQCTYLIASA-N 408.925 6.278 0 1 HKAF CCOC(=O)[C@@H](CC)Oc1ccc(NC(=O)CSc2ccc3ccccc3c2)cc1 95562424 GQCWGGGZWUALRJ-JOCHJYFZSA-N 423.534 5.291 0 1 HKAF c1ccc2cc(-c3nc4ccccc4n3-c3ccnc(NC4CCOCC4)c3)ccc2c1 95587918 JZQQOKUENCAWLR-UHFFFAOYSA-N 420.516 5.832 0 1 HKAF C[C@H]1CC[C@@H](NS(=O)(=O)c2cccs2)CCCCCCCCCCC(=O)O1 103219625 CPZMETPVPARJGO-ROUUACIJSA-N 415.621 5.022 0 1 HKAF OC1=C2C(=Nc3nc4ccccc4n3[C@H]2c2cc(Br)ccc2F)CCC1 103538952 VVUGRJAYPXYABM-IBGZPJMESA-N 412.262 5.609 0 1 HKAF CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C)o2)C2=C(O)CC(C)(C)CC2=N1 104002937 NMJYEIIFUDOCHK-HSZRJFAPSA-N 405.494 5.776 0 1 HKAF CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 104033379 JYJRYYBADGDELA-QFIPXVFZSA-N 423.509 5.345 0 1 HKAF CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]nc(F)c2c1)c1ccccc1 114545662 NNOSFXILAIFGCS-YNWFTHOWSA-N 412.464 6.169 0 1 HKAF CCCCCC[C@H](O)c1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1 116277251 JZTXDXUREYZCFA-VWLOTQADSA-N 418.968 7.326 0 1 HKAF FC(F)(F)c1ccc(Nc2ccc(Oc3ncccc3-c3ccccc3)cc2)nc1 139317382 JBLITTKKJNUABI-UHFFFAOYSA-N 407.395 6.698 0 1 HKAF CCCC[S@](=O)c1sc2nc(-c3cccs3)nc(-c3ccccc3)c2c1N 148063366 NMUJKGODVLATSU-HHHXNRCGSA-N 413.593 5.577 0 1 HKAF Cc1ccc2c(c1)S[C@H](c1ccccc1)[C@@H]1C(=N2)c2ccccc2[C@@H]1c1ccccc1 169292010 KDQIDXUBKCXTBC-HPUNYJORSA-N 417.577 7.725 0 1 HKAF CC(C)c1ccccc1-c1ncc(F)c(NCc2ccc(-c3cccnc3)s2)n1 169304384 OOVKWDZCUXDMJE-UHFFFAOYSA-N 404.514 6.142 0 1 HKAF CC(C)c1ccccc1-c1ncc(F)c(NCC2CCN(c3cccnc3)CC2)n1 169340921 IAHBHARHIIXBCI-UHFFFAOYSA-N 405.521 5.130 0 1 HKAF Cc1ccn2cc(-c3ccc(N(Cc4ccccc4)Cc4ccccc4)cc3)nc2c1 169350554 PEIBOKSBDDPMGN-UHFFFAOYSA-N 403.529 6.517 0 1 HKAF COc1ccc(-c2ccc3c(c2)[C@@H]2C[C@@H]3CCN2S(=O)(=O)c2ccccc2C)cc1 169354518 FAGXYHJDLFIJSU-RDPSFJRHSA-N 419.546 5.294 0 1 HKAF CC(=O)OC1[C@@H]2CC[C@@H]1[C@@H]1[C@@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 195516701 SBDFAYSYHLEGJM-KWBKQAFZSA-N 424.966 5.036 0 1 HKAF FC(F)(F)c1ccccc1-c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1 198405600 GWEFBKPRECSSMF-UHFFFAOYSA-N 423.394 5.656 0 1 HKAF FC(F)(F)c1ccc(-c2nc3ccc(Nc4ncnc5ccccc45)cc3[nH]2)cc1 299834397 XPKDCDYMTTYSCT-UHFFFAOYSA-N 405.383 5.936 0 1 HKAF CCC[C@H](C)COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@H](C)c2ccccc2)cc1 299855680 BFUHIAUJINRVMX-MCEYFSPLSA-N 422.613 5.558 0 1 HKAF C[C@@H]1[C@H](Nc2ncc(C(=O)N3CCCC3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C 299880706 MSLPWLIMOWYVED-VXIWKAIFSA-N 422.548 5.001 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1ccc(C(F)(F)F)cc1C4)-c1ccccc1C2=O 586994248 WJZHPSSFJNBUAB-UHFFFAOYSA-N 401.387 6.345 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1 587017150 HHWQJTDLTQNQNL-UHFFFAOYSA-N 416.893 5.633 0 1 HKAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(F)c(F)c2[nH]1 587018762 OGYSCKZBLBTWDK-UHFFFAOYSA-N 424.303 6.597 0 1 HKAF C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(N)ccnc2[nH]1 587053177 CGNRJVFSZXICPJ-NSHDSACASA-N 415.280 5.779 0 1 HKAF Cc1cc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2cc1Br 587065838 ZCTGIEREVQDSTJ-UHFFFAOYSA-N 415.722 5.757 0 1 HKAF FC(F)(F)c1ncc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc-2[nH]1 587070407 GYZYWZCMWGTTBA-UHFFFAOYSA-N 410.186 5.359 0 1 HKAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cc(F)c(C(F)(F)F)cc2[nH]1 587075962 GSMQJHTVJYBPRL-UHFFFAOYSA-N 407.754 5.809 0 1 HKAF COc1cccc(/C=C2/CCCc3c2nc2cccc4c2c3-c2ccccc2C4=O)c1 587105822 ALCLCEDCKYGPSB-SDXDJHTJSA-N 403.481 6.332 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c([C@H](CC)Oc3ccccc3F)nc2c1 587154580 FAVJJMQSTICHNM-HNNXBMFYSA-N 421.266 5.171 0 1 HKAF O=S(=O)(Nc1ccsc1-c1nc2cc3ccccc3cc2[nH]1)c1ccc(F)cc1 587169968 GTPSHYFIEUPNPY-UHFFFAOYSA-N 423.494 5.385 0 1 HKAF C[C@@]1(c2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329731 ZARXUYQDIJMWOQ-IRLDBZIGSA-N 417.263 6.112 0 1 HKAF COc1cccc(-c2cc(-c3cc(C)cc(C(C)=O)c3O)nc3c2oc2ccccc23)c1 587367659 YBLFIFKKKGIXMX-UHFFFAOYSA-N 423.468 6.540 0 1 HKAF Cc1sc(N)c([C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587376253 PFOXYJPIMFZBTO-URXFXBBRSA-N 423.509 5.456 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(F)(F)F)c(Br)c1)O2 587381722 KJAPCCRFFSSVKB-HNNXBMFYSA-N 400.194 5.065 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1ccc(F)cc1Cl)[C@@H](C2)C3=O 587428052 LORDZBIYIQDJRN-UUOWRZLLSA-N 424.855 5.555 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(OC(=O)C(C)(C)C)cc1)CC2=O 587479999 MPLMYTMJRZJXGR-VWLOTQADSA-N 410.510 5.567 0 1 HKAF O=C1C[C@](Cc2cccc(F)c2)(c2cccc(F)c2)Oc2c1ccc1c2CCCC1 587508135 YYTSRKQFUNYOHB-AREMUKBSSA-N 404.456 5.947 0 1 HKAF C[C@]1(c2ccc(N3CCCC3)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558681 SUXDRHXUNXBTDG-RCZVLFRGSA-N 419.452 5.009 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1Cc1ccccc1F 587570320 VHWFTIWALJJGCN-DHLKQENFSA-N 415.420 5.084 0 1 HKAF Cc1ccc([C@@]2(Cc3ccccn3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587585678 FUOFHMRYUPUGKB-SHQCIBLASA-N 423.468 5.195 0 1 HKAF CCCOc1c(OCC)cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593887 FSZJNTWLFMJFNY-SQJMNOBHSA-N 420.461 5.283 0 1 HKAF CC(C)(C)c1[nH]c2ccc(F)c(Cl)c2c1Cc1ccc(Br)cc1F 587628898 BKVPULIHVWFIOC-UHFFFAOYSA-N 412.705 6.750 0 1 HKAF Fc1ccccc1-c1c(-c2ccccc2Br)[nH]c2ccc(F)c(Cl)c12 587629357 LVWMNDCFGXNNNE-UHFFFAOYSA-N 418.668 7.196 0 1 HKAF CCOC(=O)c1c(-c2c(F)c(F)c(F)c(F)c2F)[nH]c2ccc(F)c(Cl)c12 587629710 YOUKXTYVRANYMK-UHFFFAOYSA-N 407.697 5.500 0 1 HKAF Fc1cccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(Oc3ccc4c(c3)CCC4)c12 587633077 QLJFTQBETLLPCE-UHFFFAOYSA-N 412.291 7.562 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccccc2Cl)N1 587700704 VVVSTMZFRNDTHX-MPBGBICISA-N 419.725 5.656 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(Cl)nccc3c2)N1 587702535 DNQLCUGMJGFWSJ-YPMLDQLKSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)(F)F)cc2F)N1 587710983 IJIMTBWQVZMVRO-PWJLMRLQSA-N 406.192 5.370 0 1 HKAF CCCCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587712943 APZQLFKLRDUQBK-ODXCJYRJSA-N 410.302 5.530 0 1 HKAF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1C(F)F 587713379 CQYPHOWRUHAFRS-XLFHBGCDSA-N 400.238 5.158 0 1 HKAF CC(C)Cn1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 587755993 IYFVNJILTLHHMP-ZUOKHONESA-N 416.338 5.218 0 1 HKAF CCCCCCOc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587790009 DPYWXRSCBFZZFI-QRQCRPRQSA-N 420.366 6.171 0 1 HKAF Cc1onc(-c2ccccc2)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587794375 MEXMCDNKEOGLPG-YBTHPKLGSA-N 401.279 5.175 0 1 HKAF CCCCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587797009 VAAJMSROSNBEKB-ASSNKEHSSA-N 422.338 5.399 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccc(C(C)(C)C)cc2)N1 587818785 JODLJECSMSUJCJ-KUHUBIRLSA-N 404.367 6.094 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2C(=O)c2ccccc2)N1 587823162 OOQYESGQTKPIOP-UZSYQUHHSA-N 416.334 5.391 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)s2)N1 587847558 LHMUHSXXYGLBMK-JKYUHCHBSA-N 405.130 5.036 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccccc1C(C)C 587862219 IBNLZHCDHYJNPQ-UHFFFAOYSA-N 418.415 5.420 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1ccccc1O 587866469 KJCMAROGXUQUBC-UHFFFAOYSA-N 422.428 5.106 0 1 HKAF Oc1ccc(OCc2ccccc2)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 587945303 LMXURMCWFUHGFN-UHFFFAOYSA-N 415.464 6.182 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(Cc3cccc(-c4ccccc4)c3)nc2c1 587961697 NUZYUHDUJSJUPC-UHFFFAOYSA-N 420.356 6.858 0 1 HKAF Fc1cc2c(cc1F)[C@@]1(CCS2)NC2(CC2)Cc2ccc(Br)cc21 961322752 KXHMYEZCJPJEJT-IBGZPJMESA-N 408.311 5.145 0 1 HKAF COc1cccc([C@]2(c3coc4ccc(O)cc34)NCCc3ccc(F)c(C)c32)c1 962150473 ZRJBLDBEZXRSSW-RUZDIDTESA-N 403.453 5.032 0 1 HKAF C[C@H](C(=O)C(F)(F)F)[C@@]1(c2ccccc2)c2ccsc2CCN1Cc1ccco1 962706341 LWBDXILEADNDTO-QVKFZJNVSA-N 419.468 5.411 0 1 HKAF C[C@@]1(c2cc(Cl)ccc2Oc2ccccc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962927089 ZFTXHNCSRQYZSC-CVDCTZTESA-N 411.860 5.134 0 1 HKAF Cc1sc2c(c1C)CCN[C@]21C=C(Nc2ccccc2)C[C@@H](c2ccccc2)C1 963016918 CVJJJIAGGLOROP-QFQXNSOFSA-N 400.591 6.280 0 1 HKAF Cc1cccc(NCc2nc(-c3ccc4nsnc4c3)c(-c3cccc(C)n3)[nH]2)c1 1857618883 ISSKIYXWEWUJFS-UHFFFAOYSA-N 412.522 5.372 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CCC1=CC(=O)O[C@H]1OC(=O)OC(C)(C)C 2356337053 UJVJNBBSPRJHGY-SINMNGAWSA-N 418.574 6.326 0 1 HKAF CC(=O)OCC1=C[C@H](OC(=O)C=Cc2ccccc2)[C@H](C(C)C)CCC(C)=CCC1 2356382447 AWKGANINHRSJDK-DQEYMECFSA-N 410.554 5.894 0 1 HKAF CC1=CCC[C@]23C[C@@]24CC[C@]2(C)[C@H]([C@H](C)C[C@@H](O)CC(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13 2356535777 JLOKHLVFHLMHMQ-USTDGJQMSA-N 412.702 7.779 0 1 HKAF CCCc1nc2c(C)cc(Br)cn2c1Cc1ccccc1C(F)(F)F 72141923 CYJGYVHGJGQYAH-UHFFFAOYSA-N 411.265 5.967 0 3 HKAF Oc1ccc2c(c1)CCN(c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 3826690 HMBSMLATJKWAHH-HHHXNRCGSA-N 414.549 5.019 0 1 HKAF Cc1cc(O)cc2c1O[C@](C)(CC1=C[C@]3(C)CCC[C@]3(C)[C@]3(C=CC(C)(C)O3)O1)CC2 13430964 MDBHLEZYLMCUFV-YIPNQBBMSA-N 424.581 6.346 0 1 HKAF biogenic Oc1cc2c(cc1CCCOc1ccccc1)O[C@@H](CCc1ccc(Cl)cc1)C2 13453399 KHBILIXKFVEGLK-QHCPKHFHSA-N 408.925 5.994 0 1 HKAF CCCSc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1 13587567 MBUBQLCBJJKIRJ-UHFFFAOYSA-N 412.001 6.166 0 1 HKAF CCCCc1c(C(=O)SCC)c(CC)c(C(=O)OCC)c(-c2ccccc2)[n+]1C 13801286 CZJMNOJROPHVEQ-UHFFFAOYSA-N 414.591 5.153 0 1 HKAF C[C@H](c1ccc(O)cc1Br)[C@H](C)c1ccc(O)cc1Br 27895431 MYRAVULWQNMPHD-UWVGGRQHSA-N 400.110 5.530 0 1 HKAF Cc1cccc(C(=O)c2cccc([C@@H](C)CN3CCCC[C@@H]3CC3CCCCC3)c2)c1 29411862 REXHJAHFEIMMEL-NEKDWFFYSA-N 417.637 7.154 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3)C(C)C 33820621 YCBMXIIYHMNHDU-IXYHWDSJSA-N 414.718 8.169 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 38600528 ARYTXMNEANMLMU-QZHHNGCXSA-N 402.707 7.715 0 1 HKAF COc1ccc(C)cc1-c1ccc(C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cc1 40421043 UPJLCXDCWKICBQ-XMMPIXPASA-N 415.533 5.492 0 1 HKAF Clc1ccc(OCc2ccccc2)c(Cc2ccc(-c3nc4ccncc4[nH]3)o2)c1 45191093 RXJWTTHLBVPHJO-UHFFFAOYSA-N 415.880 6.041 0 1 HKAF O=C(O)Cc1sc(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1ccncc1 45367729 BHRLXPIPFRKKDA-UHFFFAOYSA-N 422.456 5.291 0 1 HKAF CCCCCCNC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 45375074 JWGHJIKJZGXRNQ-HNNXBMFYSA-N 408.386 5.476 0 1 HKAF CCCCNc1cc(Cl)nc(S[C@H](C(=O)O)c2cccc3ccccc23)n1 49113262 AQNFYGAFTBCFQS-SFHVURJKSA-N 401.919 5.413 0 1 HKAF Cc1cc(-c2nc3ccccc3[nH]2)nn1Cc1cc(Cl)cc2cc(C(C)C)oc12 73196830 BBFRJBLIFQOIMY-UHFFFAOYSA-N 404.901 6.306 0 1 HKAF C[C@H](CCc1ccccc1)Nc1cc(Oc2ccc3oc4ccccc4c3c2)ncn1 82067614 PPVWWDGGDKPFBX-GOSISDBHSA-N 409.489 6.602 0 1 HKAF Fc1ccc(CCNc2cncc(Oc3ccc(NCc4ccccc4)cc3)n2)cc1 82068444 HITNOMGWPVLQHO-UHFFFAOYSA-N 414.484 5.675 0 1 HKAF Clc1cccc([C@@H](OC2C[C@H]3CC[C@H](C2)N3Cc2ccccc2)c2ccccc2)c1 100872535 QJFFUDZGJNXBLG-SLQPCKNISA-N 417.980 6.642 0 1 HKAF O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 117719969 CCVZFKDILSQMAG-QFIPXVFZSA-N 408.885 5.046 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 137551046 MYFPKLPVHIDFHO-MIPGKGNCSA-N 418.662 5.330 0 1 HKAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1ccc(F)c(-c2ccccn2)c1 167097366 VQPLFRGCTPINBH-IIBYNOLFSA-N 420.484 5.015 0 1 HKAF FC(F)(F)c1ccc(CNc2n[nH]c(Nc3cc(Cl)cc(Cl)c3)n2)cc1 220840436 WXFLYUPYHMUQNS-UHFFFAOYSA-N 402.207 5.486 0 1 HKAF C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@@H]3C(=CC[C@H]4[C@H]3CC=C3C[C@@H](O)CC[C@@]34C)[C@@]1(C)[C@@H]2C 255280772 XLQGICHHYYWYIU-QSHBIFBCSA-N 411.630 5.207 0 1 HKAF Cc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(F)cc2)o1 299873651 ADDVVGADPFVQPI-NLCWTHGUSA-N 406.505 5.729 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(OCc3ccccc3)cc2[nH]1 586915766 HORDLYCVWPWHIC-QFQXNSOFSA-N 412.489 5.358 0 1 HKAF Fc1cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c(F)c1F 586997779 DNLFEWNXWXAVHJ-VURMDHGXSA-N 419.200 6.173 0 1 HKAF CC(C)n1c(-c2nc3cc4[nH]ncc4cc3[nH]2)cc(Br)c1Br 587005029 JSQXHJHIJOUGPC-UHFFFAOYSA-N 423.112 5.014 0 1 HKAF FC(F)(F)Sc1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 587012883 MTDWNKAQBGUQSL-UHFFFAOYSA-N 420.279 5.938 0 1 HKAF Cc1c(F)ccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c12 587018706 LSECIXXXNLYDGO-UHFFFAOYSA-N 420.340 6.767 0 1 HKAF Cc1onc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)c1COc1ccccc1Cl 587063667 RTYTUWNRUFMXGP-UHFFFAOYSA-N 409.660 5.461 0 1 HKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2c(Cl)c(Br)cnc2[nH]1 587066390 MHSTYNNEVBJYPY-MRVPVSSYSA-N 401.091 5.476 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(Br)c(C)nc2[nH]1 587073289 AULAMPKSOSHCLY-UHFFFAOYSA-N 412.718 6.325 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc2c1 587087999 RBGHIXXLOGSODD-UHFFFAOYSA-N 418.678 5.304 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(-c4ncccc4C(F)(F)F)[nH]c3c2)cc1 587109201 VMHBZRLMAODGNT-UHFFFAOYSA-N 413.355 5.223 0 1 HKAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc(OC(C)C)cc3[nH]2)c1 587147509 RDSFJDBHGVQUCN-UHFFFAOYSA-N 420.440 5.530 0 1 HKAF COc1ccc(Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c(F)c1 587149010 OFAVCHZKODYHOF-UHFFFAOYSA-N 421.310 5.489 0 1 HKAF O=C1c2ccc(O)cc2OC2(CCN(c3ccccc3F)CC2)[C@H]1c1ccc(F)cc1 587330822 FYRSOPLMPCEGOQ-QHCPKHFHSA-N 421.443 5.069 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H](Cc3ccccc3)C2)[C@H]1c1ccc(F)cc1 587351022 IZQXZIOOAGEJCN-KAZGAHJFSA-N 416.492 6.062 0 1 HKAF COc1cccc(-c2cc(-c3c(Cl)cccc3Cl)nc3c2oc2ccccc23)c1 587357042 DNBYXMNZJDEKMI-UHFFFAOYSA-N 420.295 7.630 0 1 HKAF COc1cccc(-c2c(Cc3ccc(Cl)cc3)c(C)nc3c2oc2ccccc23)c1 587357684 KHNFEUGEFWBLFG-UHFFFAOYSA-N 413.904 7.209 0 1 HKAF CCOC(=O)[C@@H]1CC[C@@H](C)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587363770 USGATXQWNLALHV-DNVCBOLYSA-N 415.489 6.201 0 1 HKAF Cc1ccc(C[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587603950 SMPVRQROMUHPBE-NAKRPHOHSA-N 422.480 5.800 0 1 HKAF CC(C)[C@@]1(c2cc3ccccc3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615212 FKUKUYKXANWSEG-DHLKQENFSA-N 400.430 5.652 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1sc2ccccc2c1Cl 587619017 QGUNVNCZUHYKGU-UTKZUKDTSA-N 408.862 5.963 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2nccs2)cc1 587619114 QVCWDOQGPQAAEN-KNQAVFIVSA-N 401.443 5.219 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc2ccc(Cl)nc12 587619379 SALRHIIXRKRYDE-LAUBAEHRSA-N 409.850 5.358 0 1 HKAF CCOC(=O)c1c(-c2ccc(Br)cc2)[nH]c2ccc([C@H](C)CC)cc12 587638300 FOENQVPRIVUXPI-CYBMUJFWSA-N 400.316 6.288 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)(F)F)cc2Cl)N1 587713129 RQWHEVSMMVOCBG-ZKANADHPSA-N 422.647 5.884 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCC(F)(F)F)N1 587715282 XXLDZYXSLBCAAF-BTDLBPIBSA-N 418.228 5.153 0 1 HKAF CC[C@@]1(c2c(F)ccc(F)c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587717987 MBTCNYCKZCOIPR-DYBLOJMWSA-N 402.229 5.193 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3cc(F)ccc32)N1 587726932 AHDBDNHRUSBZEE-GIPWTMENSA-N 408.286 5.066 0 1 HKAF CCC[C@@H](CC1(c2nc3ccnc(O)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781075 DKAPGLPNHTZYBE-SFHVURJKSA-N 407.514 5.025 0 1 HKAF CC(C)=CCC/C(C)=C/C=C\[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587813445 CTQXUCCROWLHFD-UZSZBKGGSA-N 406.383 6.587 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3O)cc2)N1 587833378 NFGRKHOTZTXSID-XMHCIUCPSA-N 412.302 5.584 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc3ccccc3c2Cl)N1 587852595 HNUBHIQLHRRCAR-VVVCHXIZSA-N 410.739 6.080 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccccc1C(F)(F)F 587856948 ZHXHFBKUIUMJQG-UHFFFAOYSA-N 401.215 6.264 0 1 HKAF FC(F)(F)C(F)(F)c1cc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2cn1 587960867 GDRNRPSPBNVIJF-UHFFFAOYSA-N 403.354 5.870 0 1 HKAF CCOC(=O)N[C@H](c1ccccc1)[C@H]1CCCC[C@@]12NCCc1ccc(F)c(C)c12 962376651 QAEPXWVREPUKJD-QFZRFWILSA-N 410.533 5.153 0 1 HKAF Cc1nnc2n1-c1ccc(-c3cnn(C)c3)cc1[C@@H](Nc1cccc3ccccc13)CC2 1857607761 QNKXDXGVMGNEJQ-DEOSSOPVSA-N 420.520 5.229 0 1 HKAF CCN(Cc1ccccc1C(F)(F)F)C(=O)Cn1c2ccccc2c2ccccc21 1857608694 QNOQNDLGFCZVFW-UHFFFAOYSA-N 410.439 5.862 0 1 HKAF CC1=C[C@H](CN(CC2CC2)CC2CC2)[C@@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 2356354242 HVYDMGZREQLYCH-YTFSRNRJSA-N 406.618 5.477 0 1 HKAF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356384892 YBXNGGUGZZCTHR-SGJHLFKVSA-N 422.697 8.319 0 1 HKAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2[C@H](OC(=O)C(C)C)[C@@H]2C(=O)CC[C@@H](C)[C@@]12C 2356446171 ZWZYJBYNCRIMLI-PYCNGLPRSA-N 416.514 5.014 0 1 HKAF CCC(=O)O[C@@H]1C=C(C(=O)OC)[C@H](CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@H]12 2356517863 WNVLMFHRBFVUQZ-FPRSRYDQSA-N 402.531 5.096 0 1 HKAF CC[C@@H](CCC[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356534086 GSPWCMGYYCJPTF-XKVSFVCGSA-N 402.707 7.859 0 1 HKAF CC(COCC(C)=C1[C@H]2CC[C@@]2(C)[C@H]2CC[C@@H](C)[C@@H]12)=C1[C@H]2CC[C@@]2(C)[C@H]2CC[C@@H](C)[C@@H]12 2356579182 SQOAFQJJZLXFIC-CSSIGGRVSA-N 422.697 7.820 0 1 HKAF CC=C(C)[C@@H](O)CC=C(C)C=CCC(C)=CCc1nc(OC)c(OC)c(O)c1C 2356803722 XIYTULCDRXWIHO-NRFANRHFSA-N 401.547 5.211 0 1 HKAF CCCCNc1ccc2oc(-c3ccc(OC)cc3)c(-c3ccc(OC)c(F)c3)c2c1 61949548 XRCXHRNCOYCFCV-UHFFFAOYSA-N 419.496 7.135 0 3 HKAF Clc1ccc([C@H](c2c[nH]cc2-c2ccc(Cl)cc2Cl)n2ccnc2)cc1 5974159 LTUHZEBCJDMLPQ-HXUWFJFHSA-N 402.712 6.476 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 13423753 KZJWDPNRJALLNS-OSBPDXFISA-N 414.718 8.025 0 1 HKAF CCCOc1ccc(Cl)cc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 27711989 LAVFRHVGDMNZAT-UHFFFAOYSA-N 423.343 7.506 0 1 HKAF O=C(c1ccccc1)N1N=C(c2cccs2)C[C@H]1c1ccc(Br)cc1 28571439 NZHZVMINARSATQ-SFHVURJKSA-N 411.324 5.502 0 1 HKAF C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1C(F)(F)F 29560014 QWMXYHFDZUDPDS-IERDGZPVSA-N 410.439 6.298 0 1 HKAF O=C(Nc1cccc(OCc2ccc(-c3cccc(F)c3F)cc2)c1)C1CCNCC1 40950028 GUCPFZUETPFUGK-UHFFFAOYSA-N 422.475 5.149 0 1 HKAF Cc1cc(CNCCCCCCCNCc2ccc(-c3ccccc3)cc2)ccc1O 45189661 KSBSTVZINAGRNW-UHFFFAOYSA-N 416.609 6.198 0 1 HKAF CNc1ccc(CNCc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)c2)cc1 45194646 HOBZYZIMUXHUFO-UHFFFAOYSA-N 418.544 6.228 0 1 HKAF O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc(OCc3cccnc3)cc21 64548535 IYDZNZQURNGKLG-UHFFFAOYSA-N 420.468 5.057 0 1 HKAF COC12C[C@H]3C[C@@H](C1)CC(c1nnc4c(Oc5cccc(Cl)c5C)cccn14)(C3)C2 72106991 QEBHYWPLCVDWCM-UPFYTXMWSA-N 423.944 5.720 0 1 HKAF O=C(O)c1c(-c2cccnc2F)c2cc(Cl)ccc2n1Cc1ccc(F)cc1F 72180029 BARCCLQWVCAJHZ-UHFFFAOYSA-N 416.786 5.521 0 1 HKAF C1=C/CN(CC2CC2)Cc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/1 82155532 OJPZPHHRLPRKHR-OWOJBTEDSA-N 412.537 5.438 0 1 HKAF CCCCCn1c(-c2ccc(Cl)cc2)nc2c(NCc3ccccc3C)ncnc21 82180160 ZDDLOWOBTVQSJO-UHFFFAOYSA-N 419.960 6.257 0 1 HKAF Nc1nccn2c(-c3cccc(C(=O)O)c3)nc(-c3ccc(Oc4ccccc4)cc3)c12 96168209 RPGZOSBNQDJHFY-UHFFFAOYSA-N 422.444 5.136 0 1 HKAF COc1ccc([C@H](CC(=O)c2cc3ccccc3o2)Nc2ccc(C(=O)O)cc2)cc1 103175044 ZJWVEOGRBSEPNV-NRFANRHFSA-N 415.445 5.566 0 1 HKAF CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccccn2)C2=C(O)CC(C)(C)CC2=N1 104006772 SKSZXLNIVKSVBH-QFIPXVFZSA-N 405.473 5.304 0 1 HKAF Cc1cc(Cl)ccc1-c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12 225106321 UDKBNVUPZAZNQZ-UHFFFAOYSA-N 415.927 5.121 0 1 HKAF CCCCCCC(C)(C)/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCOC 231934496 KDHDLCAGLCQLAO-IAHXVZAZSA-N 417.678 7.311 0 1 HKAF Oc1ccc2scc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2c1 587033697 ZOCXPJYCZIVETN-UHFFFAOYSA-N 424.117 5.675 0 1 HKAF Cc1cccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 587064857 WJMPDQRROMBWDF-UHFFFAOYSA-N 401.897 6.225 0 1 HKAF CNc1cc(Cl)ccc1-c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 587066545 MOIOZSFPCXLZOO-UHFFFAOYSA-N 407.857 5.504 0 1 HKAF FC(F)(F)c1cc(Br)c2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2c1 587085176 ZJPRISAGOLCQLI-UHFFFAOYSA-N 411.008 5.713 0 1 HKAF Cc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)sc1Br 587102946 STWIQZCMLPAUMQ-UHFFFAOYSA-N 420.331 6.554 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(N4CCCCCC4)cc3)nc3cccc1c23 587105494 BGNOBDCRVGDQEW-UHFFFAOYSA-N 404.513 6.494 0 1 HKAF CC(=O)[C@@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C12CC3CC(CC(C3)C1)C2 587107415 SGVRAOKAPMPANZ-JGXZDVHOSA-N 421.540 6.335 0 1 HKAF COC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc2c1 587114637 VTYPMJYMBDZHFO-UHFFFAOYSA-N 412.367 5.828 0 1 HKAF FC(F)(F)c1nc2ccc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)cc2[nH]1 587120504 MGKWOCKNUMAAEY-UHFFFAOYSA-N 410.424 6.276 0 1 HKAF CC[C@@]1(c2ccc3c(c2)CCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358583 PXPGIBQOLUHNFZ-NOZRDPDXSA-N 404.437 5.131 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccs2)[C@H]1c1ccc(F)cc1 587377122 QPBGTZOGYQFMDM-ZCYQVOJMSA-N 416.473 5.896 0 1 HKAF COc1ccc(Nc2nc(Cl)c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)s2)cc1 587412186 HWHZLZPPBJGQIZ-INIZCTEOSA-N 415.902 5.146 0 1 HKAF COc1cc2c3c(c1)O[C@]1(C[C@H](c4ccc(F)cc4)Nc4ccccc41)[C@@H](C2)C3=O 587429507 VPFSKXNWPFQAOT-HWHXTQLESA-N 401.437 5.034 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)cc(OCc3ccccc3)cc1F)CC2=O 587467222 ROLSYJVIOXEZNU-HSZRJFAPSA-N 424.443 5.908 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](c2ccc(F)cc2)Nc2ccccc21 587472404 PTKKTTNDRRBRCF-GJZUVCINSA-N 417.480 5.901 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(c1ccccc1C)CC2=O 587476169 DWHQFPGCQIWMQJ-SANMLTNESA-N 402.490 5.571 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccc(C(=O)O)o3)cc1)CC2=O 587478130 GICIKIWAGSPLJG-XMMPIXPASA-N 406.434 5.184 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCN3CCC[C@H](C)C3)cc1)CC2=O 587481081 XTEBFJXWYHYWTI-BVZFJXPGSA-N 423.553 5.162 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc(C)c2Oc2cc(O)cc(O)c21 587491618 ONCNSFDAQDLUTN-RUZDIDTESA-N 418.445 5.079 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1Cc1ccc([C@@H](C)C(=O)O)cc1)CC2=O 587492695 YBOCGXWPDLBYDQ-LLFIXNMYSA-N 422.521 5.280 0 1 HKAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)cc1Br 587496916 ATIMYEMENRQWQD-IBGZPJMESA-N 417.299 5.052 0 1 HKAF O=C1C[C@@H](c2cc3cc4c(cc3nc2Cl)OCCO4)Oc2c1ccc1c2CCCC1 587499771 NAQYMOXNEHPDOY-FQEVSTJZSA-N 421.880 5.245 0 1 HKAF C[C@@]1(c2ccc(OC(F)F)cc2OC(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587504788 KBOMXOFAGZZSPU-QFIPXVFZSA-N 424.390 5.649 0 1 HKAF O=C1C[C@H](c2cccn2-c2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587505646 IALCFTRYOGIWQJ-JOCHJYFZSA-N 411.423 6.081 0 1 HKAF C[C@@]1(c2c(Cl)[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553238 UPINJRPYCYWHRJ-CVDCTZTESA-N 405.837 5.404 0 1 HKAF Cc1cccc(OCc2nc3cc(Br)c(Br)cc3[nH]2)c1C 587563787 JFMQYTRKHFEDQE-UHFFFAOYSA-N 410.109 5.284 0 1 HKAF COC(=O)c1cc2nc(COc3cc(C)cc(C)c3)[nH]c2c(F)c1Nc1ccccc1 587564935 QIHDCDZWLSRLBW-UHFFFAOYSA-N 419.456 5.428 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc2ccc(Cl)nc12 587619384 SALRHIIXRKRYDE-UWJYYQICSA-N 409.850 5.358 0 1 HKAF Cc1cccc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)c2cc(Cl)ccc2O)c1 587629096 UFVKVCUCUOEVON-UHFFFAOYSA-N 414.263 6.526 0 1 HKAF Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 587676595 HOXSUCNIIAIMIJ-BMLIUANNSA-N 413.128 5.283 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)ccc2Cl)N1 587698156 YIUGFDCITQEFTP-WLRWDXFRSA-N 410.758 6.163 0 1 HKAF CC(C)[C@@]1(c2ccc(Cl)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587724158 DZXDIUJWDRKHGQ-WLRWDXFRSA-N 414.721 5.815 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)c3ccccc23)N1 587732584 NDGROETYWVUATH-XUSGNXJCSA-N 402.282 5.678 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC=C(NNc3ccccc3)C2)N1 587750149 RRLHXABUFPMFNW-SPLOXXLWSA-N 416.338 5.002 0 1 HKAF COc1ccc2oc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(C)c2c1 587828155 MPKPCBLMDRRUIA-FIKIJFGZSA-N 418.306 5.449 0 1 HKAF CC(C)c1ccc2c(c1)[C@@]1(CCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587836142 RTFOGEZHXGYQLZ-YEJXKQKISA-N 404.323 5.272 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(Br)nc1 587864562 OVIVICNFBVGHKC-UHFFFAOYSA-N 412.209 5.114 0 1 HKAF Cc1c(O)c(-c2c(O)c(C)c(C)c3[nH]c4ccccc4c23)c2c([nH]c3ccccc32)c1C 653852837 RXWNSPMKONYUEC-UHFFFAOYSA-N 420.512 7.267 0 1 HKAF biogenic CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 963235109 FVLQUVCOYMZOHP-HRAATJIYSA-N 413.562 5.180 0 1 HKAF O=C(Nc1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1F 1772626774 YKQLSTQPJFOHJR-UHFFFAOYSA-N 414.267 5.783 0 1 HKAF COc1cncc(CNc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)c1 1857566960 ITMMHAMHNWGMLK-UHFFFAOYSA-N 415.415 5.282 0 1 HKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1cnn(C3CCCCC3)c1-2 1857572746 HHBYOKBHKXOQMK-UHFFFAOYSA-N 424.629 7.636 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356343359 NEITZYUKMAAGFE-GLTIPLLUSA-N 418.662 5.330 0 1 HKAF COc1cc2c(c(C)c1-c1ccoc1)C[C@@H]1[C@]2(C)C(=O)C[C@@H]2C(C)(C)[C@H](O)CC[C@@]21C 2356555258 NQNPFZBDSDBVBI-HGSCEYFZSA-N 422.565 5.470 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CCC2=C3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 2356677752 XMCGXKSKUMSGOT-CWFKWHEYSA-N 400.647 6.280 0 1 HKAF CC1(C)C2=CC[C@@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]3(C)[C@]2(C)CC[C@@H]1C(=O)O 2356700145 YGLGULHMTYKQDP-SPNBVHCBSA-N 402.619 6.063 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H]4O[C@@]3(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@H]41 2356721202 XSBIAMRLXDVYMG-IJLDHROFSA-N 412.658 6.542 0 1 HKAF CC(C)[C@H](C)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356798023 OTRRATLULZITAR-OMTONMSHSA-N 414.674 6.382 0 1 HKAF CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214096 LREMEYPTUKLECW-GNLZIIPMSA-N 414.590 5.244 0 1 HKAF Nc1noc2cccc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12 14975373 ZJRFZMRNTYZEFF-UHFFFAOYSA-N 423.270 5.484 0 1 HKAF CCOC(=O)c1ccc(NC(=S)Nc2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1 25970800 ZSEKXVQZKGHIJX-UHFFFAOYSA-N 409.555 5.304 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)c(Sc2ccccc2)cc1O 28892109 BCLSASFUPZDQML-QSFFNLKPSA-N 422.634 7.590 0 1 HKAF CCCC[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3[C@]23CCN(C)[C@@H](C4)[C@@H]13 29411564 YLFVOHQBMMEFKC-ISSXQKANSA-N 414.549 5.409 0 1 HKAF C[C@H]([C@H](O)CCC(C)(C)F)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 40440225 HAAJKVUMSLGIDT-TZEHKYEGSA-N 420.653 6.452 0 1 HKAF CC[P@](=O)(Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1)OC 40914999 BQATZQQVKCHLGZ-HHHXNRCGSA-N 414.467 5.694 0 1 HKAF Cc1cc(S(=O)(=O)Nc2sccc2-c2nc3ccccc3s2)ccc1F 43067966 JQWVZQOJITVOGG-UHFFFAOYSA-N 404.513 5.273 0 1 HKAF CC/C(=C(\c1ccccc1)c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(O)c1 45352275 HVVKLTRLZANDCP-QQTULTPQSA-N 420.505 5.796 0 1 HKAF CNC(=O)c1cccc(-c2ccc(-c3nc4cccc(C(F)(F)F)c4nc3C)cc2)c1 49126025 YXPHNVAVTJHENT-UHFFFAOYSA-N 421.422 5.651 0 1 HKAF CCCn1ccc2cc(-c3ccc(OCc4cccnc4)cc3)cc(Cl)c2c1=O 66074237 XRHJMBXQZKUGOY-UHFFFAOYSA-N 404.897 5.706 0 1 HKAF CC(C)Cc1ccc(-c2cc(Cl)cc3c2O[C@@H](C(F)(F)F)C(C(=O)O)=C3)cc1 66104337 JNEDVCOEBJNUCM-LJQANCHMSA-N 410.819 5.997 0 1 HKAF COC(=O)C(C)(C)[C@H](c1ccc(Nc2ccc3cc(O)ccc3c2)cc1)n1ccnc1 71329472 LEUDBINZIYAHLU-QHCPKHFHSA-N 415.493 5.274 0 1 HKAF CCCC[C@H](c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCCC[C@@H]1C 73223067 OEGMVAUTHDRDIB-PWUYWRBVSA-N 418.669 7.445 0 1 HKAF Cc1oc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccccc2)nc1-c1ccccc1 82162528 NGEYSUBDATWKAL-FDDCHVKYSA-N 424.548 6.765 0 1 HKAF Cc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)o1 82175357 MWVZFHQXDFQCKW-CAQIIQHBSA-N 406.505 5.729 0 1 HKAF CCCCCc1nc(-c2cnc(N3CCC(C)CC3)nc2-c2ccccc2C)oc1C 82177502 WAGHTIVUAFXDJP-UHFFFAOYSA-N 418.585 6.384 0 1 HKAF CC[C@H](C)Cn1c(CCc2ccccc2)nc2c(NCc3cccs3)ncnc21 82178847 TVTLVAKSDKFBIT-KRWDZBQOSA-N 405.571 5.331 0 1 HKAF O=C(Nc1ccccc1F)N1CCc2sccc2[C@H]1c1ccc(C(F)(F)F)cc1 84654142 VZHKEZUUXGWVSZ-LJQANCHMSA-N 420.431 6.086 0 1 HKAF O=C1Nc2ccccc2/C1=C(\c1ccc(C(F)(F)F)cc1)c1nc2ccccc2[nH]1 84738771 AUWQVEACXUQMAW-VXPUYCOJSA-N 405.379 5.493 0 1 HKAF CC1(C)CC[C@]2(C)CC=C3[C@@](C)(CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@H]5CC[C@@]34C)[C@@H]2C1 95918888 YZXXDCMEYOSCRT-CLPVHSQISA-N 410.730 9.198 0 1 HKAF biogenic,in-vitro Fc1ccc(C(OC2C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2)c2ccc(F)cc2)cc1 100759004 YDSZXMRCXLHXST-DQEYMECFSA-N 419.515 6.266 0 1 HKAF CCOc1cc([C@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)ccc1OC(C)=O 101841424 CXAALDQLGYRBHS-XMMPIXPASA-N 420.509 5.882 0 1 HKAF CCOC(=O)COc1ccc(-c2ccc(O)c(Cc3ccc4ccccc4c3)c2)cc1 103256404 UCRVYTRLYVVZMI-UHFFFAOYSA-N 412.485 5.745 0 1 HKAF Cc1ccc(Cl)cc1-n1c(SCc2ccccc2Cl)nc2nncc-2c1O 103970099 XYXLCDREDGOIPE-UHFFFAOYSA-N 417.321 5.380 0 1 HKAF CCNC(=O)Nc1cc2c(-c3ccnc(C)c3)ccc(Nc3ccc(C)nc3)c2cn1 165211436 YZUZZSIWAUWQQQ-UHFFFAOYSA-N 412.497 5.194 0 1 HKAF CCOC(=O)/C=C(\C=C\C=C(C)\C=C\c1c(C)cc(OC)c(C)c1C)C(F)(F)F 169317432 VHNQLCQQTDCJBC-RYNQQPDDSA-N 408.460 6.188 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 169370086 AEWWFKWBCCJQAS-ULZUDCSASA-N 414.634 5.237 0 1 HKAF Oc1csc(N2N=C(c3ccc(Cl)c(Cl)c3)C[C@H]2c2ccccc2Cl)n1 169728213 KHQQBAJNAUJGPT-INIZCTEOSA-N 424.740 6.165 0 1 HKAF C[C@H](CCCC(C)(C)N)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253634548 PXBRKHPZKBDNFZ-WJPFYBISSA-N 401.679 6.470 0 1 HKAF Cc1cccc(-c2ccccc2)c1-c1nc2cc(I)cnc2[nH]1 586878904 MHYMSUHKSFUGLB-UHFFFAOYSA-N 411.246 5.205 0 1 HKAF CC(C)COc1cc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2cc1Br 586897317 ABLIDWVAEFXUMO-UHFFFAOYSA-N 415.331 5.612 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1 586918342 WXVMBGPYZNOPOG-AUUYWEPGSA-N 406.429 5.391 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccc(C(F)(F)F)cc1C3 586987328 VQEOICAIXWYDDE-UHFFFAOYSA-N 403.359 5.742 0 1 HKAF COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C(F)(F)F)c1 586987441 WGQVIEVWFSWMMD-UHFFFAOYSA-N 421.374 5.846 0 1 HKAF CCc1ccc(-c2nc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)cs2)cc1 587015668 GWHPNVZJQCSKHB-UHFFFAOYSA-N 424.398 5.965 0 1 HKAF O=c1cccc(-c2nc3cc4ccccc4cc3[nH]2)n1CCOc1ccccc1Cl 587063947 FREQHHVNYGBOEE-UHFFFAOYSA-N 415.880 5.277 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc3ccccc3cc2[nH]1 587072264 PWDUCHNCGMVCOX-ZXPLITIVSA-N 407.344 7.389 0 1 HKAF CCc1ccc(O)c(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)c1 587101697 OVFBSDRIUPMUTG-UHFFFAOYSA-N 423.468 5.317 0 1 HKAF Fc1cc2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc2cc1-n1cccn1 587121483 AGSYSIDFOGIJNW-UHFFFAOYSA-N 422.407 5.220 0 1 HKAF O=C(c1nc2ncc(Br)c(Cl)c2[nH]1)c1c(Cl)ccc(F)c1Cl 587132603 FMIMNGZHDAJZTE-UHFFFAOYSA-N 423.456 5.051 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(C)c(Cl)cc4[nH]3)c(F)c2)c1 587146982 DNGPMNSPPYGMFB-UHFFFAOYSA-N 410.832 5.705 0 1 HKAF Fc1ccc2c(c1)C[C@H](c1nc3cc(OC(F)(F)F)cc(Br)c3[nH]1)O2 587173844 KDMOAVJKKNQBSH-CYBMUJFWSA-N 417.156 5.039 0 1 HKAF COc1cccc(-c2cc(-c3cc(F)c(OC)c(F)c3)nc3c2oc2ccccc23)c1 587360893 TVVAQSQSOHLMNV-UHFFFAOYSA-N 417.411 6.610 0 1 HKAF CCOC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)s1 587410400 MFHDAJXZTPAUAI-IBGZPJMESA-N 407.491 5.189 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1ccccc1OC)[C@@H](C2)C3=O 587422935 RIWANVLHDYDTHR-YADARESESA-N 406.865 5.048 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(Oc3ccc(OC)cc3)c1)CC2=O 587477805 JHVLVKOTFLOZGI-XMMPIXPASA-N 404.462 5.852 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(SC)cc3)cc1O)CC2=O 587490467 GLHXMMYKCGEOMG-XMMPIXPASA-N 420.530 6.146 0 1 HKAF O=C(O)c1cc([C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 587502759 SYJRIRVJEKJVSD-DEOSSOPVSA-N 421.880 5.154 0 1 HKAF CC1(C)Cc2[nH]nc(C(F)(F)F)c2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587508398 OTPCEQHAJOVEQB-NRFANRHFSA-N 404.432 5.140 0 1 HKAF O=C1C[C@@H](c2nc(-c3ccc4ccccc4c3)cs2)Oc2c1ccc1c2CCCC1 587535958 QFQAOYSXAUFXKS-DEOSSOPVSA-N 411.526 6.549 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCC(F)(F)F)cc1 587548123 NJPLTIBNUIDDPC-GHTZIAJQSA-N 416.351 5.036 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)cc1C(F)(F)F 587549876 SJGVOCBVOQKJPZ-YLJYHZDGSA-N 420.770 5.767 0 1 HKAF CSc1scc2c1[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609852 DVFVKZCBCPFBLJ-AVRDEDQJSA-N 410.516 5.369 0 1 HKAF CCOC(=O)C(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2ccc([C@H](C)CC)cc12 587639892 FHCJAAUZPSPIPW-GFCCVEGCSA-N 418.320 6.401 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1Cc1c(Cl)cccc1Cl 587654781 ZUXUVQIXGCNFNQ-UHFFFAOYSA-N 417.242 5.697 0 1 HKAF CC(C)C[C@]1(Cc2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587695482 BIFCEOQCKBUOSR-SPLOXXLWSA-N 424.785 6.260 0 1 HKAF CC(C)CC[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587704037 RKVVEICJGBORRB-SZNDQCEHSA-N 424.785 6.456 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2CCCCF)N1 587720663 TYWQARHHRYSHOC-QKKBWIMNSA-N 408.330 5.678 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccc(F)cc3)on2)N1 587731001 GPXSNAFNTAFDMG-OVWNDWIMSA-N 405.242 5.006 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C\c2cn(C)c3ccccc23)N1 587753341 AWWGTXIJUNUFEA-SJJKJJBTSA-N 413.334 5.543 0 1 HKAF CC(C)Oc1ccc(CC[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587797286 VZJAXFNSCWWUEE-SPLOXXLWSA-N 406.339 5.584 0 1 HKAF CCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC 587797506 VRGDIDGXLHAIFV-YEJXKQKISA-N 422.338 5.399 0 1 HKAF COc1ccc2[nH]c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)c2c1 587801073 DBWRUYKMUPZXMR-SBKAZYGRSA-N 403.295 5.010 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)CCc3ccccc32)N1 587824080 UAWQSZJALPFVMI-JLCFBVMHSA-N 402.351 5.729 0 1 HKAF Cc1cc(Cl)cc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c12 587948589 FNUNGNXVYRQSSK-FXCLAUTBSA-N 424.972 6.809 0 1 HKAF CC[C@]1(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)CC(=O)c2ccccc2C1 587961608 SLOBEZDHDFZCBO-HXUWFJFHSA-N 419.269 5.372 0 1 HKAF Cc1noc(C)c1-c1cc(COc2ccc(CCC(=O)O)c(F)c2)ccc1Cl 653851961 JCFYHERKXJTSGF-UHFFFAOYSA-N 403.837 5.347 0 1 HKAF Cc1cc2c(cc1F)[C@](c1ccccc1Cl)([C@H]1CC[C@H](C(=O)O)CC1)NCC2 962093100 PDHMCUAYOCWVIY-QDOIMOTRSA-N 401.909 5.068 0 1 HKAF CC(C)(C)C[C@]1(c2ccc(Cl)cc2Cl)N[C@H](C(=O)O)Cc2cc(F)ccc21 962904286 VHDCNLGTHKDITN-RXVVDRJESA-N 410.316 5.411 0 1 HKAF FC(F)(F)c1cccc2c1[C@@]1(C=COc3ccc(Cl)cc31)NCC21CCOCC1 962963624 YEGGNXOBRLWGSX-NRFANRHFSA-N 421.846 5.160 0 1 HKAF FC(F)(F)c1cccc2c1[C@]1(C=COc3ccc(Cl)cc31)NCC21CCOCC1 962963637 YEGGNXOBRLWGSX-OAQYLSRUSA-N 421.846 5.160 0 1 HKAF CN1C(=O)C[C@@H]2CN[C@](Cc3ccc(F)cc3)(c3ccc(Cl)cc3)c3cccc1c32 963030423 NSNWOZAIQIWQLT-CRICUBBOSA-N 420.915 5.019 0 1 HKAF COc1cccc2cc3c(nc12)[C@](c1ccc(C)cn1)(c1cccc(C)c1C)NCC3 963037931 QWIFFNZQBPDQPS-HHHXNRCGSA-N 409.533 5.001 0 1 HKAF Fc1cccc2c1[C@@H](c1ncc(-c3ccc(Br)cc3)[nH]1)N1CCC[C@@H]1C2 963102107 KDPKYGDVCBUFKG-UZLBHIALSA-N 412.306 5.088 0 1 HKAF CCCc1c(C(=O)O)cccc1-c1cc(C)cc(Nc2nccc(C(F)(F)F)n2)c1 1772618275 YDBFOQMEZYCEGN-UHFFFAOYSA-N 415.415 5.865 0 1 HKAF CC(=O)N[C@H](C)CCc1cnc(-c2ccc(Oc3cccc(OCC4CC4)c3)cc2)o1 1772619807 FAZFLUNBBZNSLJ-QGZVFWFLSA-N 420.509 5.380 0 1 HKAF O=C(CCCN1CCC(O)(c2cc(Cl)cc(Cl)c2)CC1)c1ccc(F)cc1 1857535709 IROBXMJJTSKRFQ-UHFFFAOYSA-N 410.316 5.079 0 1 HKAF CCCCCC[C@H](O)C/C=C\CCCCCCCc1nc(-c2cccc(O)c2)n[nH]1 1857751580 SNUSSGNZBGPYDZ-RYGYDFEPSA-N 413.606 6.338 0 1 HKAF CC1=C(C[C@@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)[C@H]1C(C)C 2356533694 POTOXHDOALIWIW-FRNVGCTASA-N 410.686 7.555 0 1 HKAF C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 2356581389 UPFMAJNOHQYMSO-LSOKOUJTSA-N 412.702 7.779 0 1 HKAF CC(C)[C@@H]1CCNC1=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@@]21C 2356683199 KWJAIEDSFQYEAZ-CFEOXHTCSA-N 424.717 6.678 0 1 HKAF C[C@]1(C2CCCCC2)O[C@@]2([C@@H]3CCC[C@H](Cc4ccc(O)cc4)C3)CC[C@H]1[C@@H](N)C2 2356778380 TZZKJBXWDRLWGL-OXSGQLDCSA-N 411.630 5.977 0 1 HKAF COc1cc(Cl)ccc1O[C@@]1(C)CCN(Cc2ccc(-c3ccccn3)cc2)C1 61907140 FXCBZWSOUNRSEN-DEOSSOPVSA-N 408.929 5.454 0 3 HKAF CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1-c1ccccc1 13537657 GHUTYPGQRRMOHK-UHFFFAOYSA-N 414.574 6.167 0 1 HKAF CCOP(=O)(OCC)C(C[C@@H]1CCC[C@H](C)C1=O)P(=O)(OCC)OCC 13896623 BNQJDMMEAMHZEJ-GJZGRUSLSA-N 412.400 5.240 0 1 HKAF c1ccc(CN[C@@H]2C3C[C@@H]4CCC[C@@H](C3)N4[C@H]2C(c2ccccc2)c2ccccc2)cc1 26721380 KQKNMRPRNMBGPX-HYHZCSIDSA-N 422.616 5.992 0 1 HKAF C[C@]12CC[C@@H]3c4ccc(O[P@](=O)(O)c5ccccc5)cc4CC[C@H]3[C@@H]1CCC2=O 26955133 JCFSJJVFJNLAKD-SVPADUAOSA-N 410.450 5.002 0 1 HKAF CCOc1ccc([C@H]2N=NC(C3=C(O)c4ccccc4C3=O)=C[C@H]2c2ccccc2)cc1 34133048 YVXPJXPFXRUBAW-WIOPSUGQSA-N 422.484 6.426 0 1 HKAF biogenic C/C(=C\c1csc(C)n1)[C@@H](O)C/C=C\CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)C 36418062 BUXAQZMQSTYYQK-HCCCJVGISA-N 407.620 5.191 0 1 HKAF CCOC(=O)c1cc(-c2cccc(OCc3cccc(C(F)(F)F)c3F)c2)on1 45322209 KOAIBZHQJNBMRL-UHFFFAOYSA-N 409.335 5.255 0 1 HKAF CN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(Br)cc32)CC1(C)C 58504734 NAYPPFWCBZMRQV-CTNGQTDRSA-N 417.366 5.191 0 1 HKAF CC(C)=CCN1C(=O)[C@@]2(O[C@H](COc3ccccc3)CC3=C2CCC3)c2ccccc21 66136398 HLGCXWDUEODXAU-CUNXSJBXSA-N 415.533 5.543 0 1 HKAF Brc1ccc([C@]2(Cc3ccccc3)c3ccccc3-c3nccn32)nc1 72109707 BDBATQYQFPMXKS-QFIPXVFZSA-N 402.295 5.056 0 1 HKAF Brc1ccc([C@@]2(Cc3ccccc3)c3cccnc3-c3nccn32)cc1 72110361 GUBSWFZQCIYNGR-QFIPXVFZSA-N 402.295 5.056 0 1 HKAF CC[C@H](C)[C@@H](NCc1cccc(C)c1)c1nc(-c2ccccc2)c(N2CCCCC2)o1 72186310 HPDABLZTKGCWJC-XUZZJYLKSA-N 417.597 6.517 0 1 HKAF COc1ccc(SC[C@@H](O)Cn2c(-c3ccccc3)cc3ccccc32)c(OC)c1 84688497 HGDNYAYFYZUTIU-FQEVSTJZSA-N 419.546 5.479 0 1 HKAF CCOc1cc(COC(=O)c2ccc(-c3ccc(C)cc3)o2)cc(OCC)c1OCC 84725589 MUQVBEZJIKQJIG-UHFFFAOYSA-N 424.493 5.808 0 1 HKAF COc1cc(Nc2cccn3c(-c4ccc(F)cc4)cnc23)ccc1-n1cnc(C)c1 95576448 QNBUSGLYJPTVTH-UHFFFAOYSA-N 413.456 5.387 0 1 HKAF CC(C)c1cccc(-c2c(-c3ccc4[nH]ncc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1 95589203 SORFJJLWLIZXPN-CZUORRHYSA-N 417.538 5.466 0 1 HKAF O=c1c2ccccc2sn1[C@@H](Cc1ccccc1)c1nnc(-c2cccs2)o1 95595198 KDWMSOQCGZFHFW-INIZCTEOSA-N 405.504 5.007 0 1 HKAF C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)C1 96929222 MIXABWQHZDQHOX-QVKFZJNVSA-N 418.368 5.309 0 1 HKAF O=c1ccc2c(OCCCCCOc3ccc4ccccc4c3)c3ccoc3cc2o1 136322953 WCAMWNKYWPVYOC-UHFFFAOYSA-N 414.457 6.321 0 1 HKAF CC[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(/C=C/c4ccccc4)cc3)oc2c1 168472620 YTUHUYVCPVMBIL-NDDJGDGRSA-N 421.500 5.915 0 1 HKAF O=C(Nc1ccc(-c2ccc(NC(=O)C3CCCCC3)cn2)cc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endogenous,in-man CN(CCCN1CCc2c([nH]c3ccccc23)[C@@H]1c1ccccc1)CCc1ccccc1 299825055 VTCDQYAWFPIBBB-LJAQVGFWSA-N 423.604 5.680 0 1 HKAF O=C(Nc1ccc(SC[C@H]2CCCN3CCCC[C@H]23)nc1)c1ccc(Cl)cc1 504756448 CFNDGXQEAPDDFK-YLJYHZDGSA-N 415.990 5.344 0 1 HKAF biogenic CCCCCOc1cc2[nH]c(-c3ccc(CC)c(CC)c3)nc2cc1Br 586881730 YQOVWOGVQXPFKZ-UHFFFAOYSA-N 415.375 6.686 0 1 HKAF CCOc1cc(/C=C/c2nc3cc(C)c(Cl)cc3[nH]2)cc(Br)c1OC 586978398 QPODAJIHLZQXRH-AATRIKPKSA-N 421.722 5.865 0 1 HKAF Cc1ccc2c3c(cc(Cc4ccc(OC(F)(F)F)cc4)nc13)-c1ccccc1C2=O 586994885 FTTZJLYZGOCYDE-UHFFFAOYSA-N 419.402 6.244 0 1 HKAF CCCn1cnc2cc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)cc(Br)c21 587004588 VKMYQLIRERUALW-UHFFFAOYSA-N 412.335 5.445 0 1 HKAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(Cl)ncc2[nH]1 587018615 KIRGJHAIMNCAPC-UHFFFAOYSA-N 423.756 6.368 0 1 HKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c(C)c(Br)cnc2[nH]1 587045040 ZBBSQZZTFPXRCN-UHFFFAOYSA-N 417.090 5.020 0 1 HKAF Clc1ccc(C2=C[C@H](c3nc4cc(Br)cc(Cl)c4[nH]3)ON2)cc1 587076519 MQSCWNKUKWJDJE-CQSZACIVSA-N 411.086 5.249 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1/C=C(\C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099447 ITVIACGBJCHOTM-SIAYCOCNSA-N 407.557 7.540 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(Oc5ccccc5)cc4)nc13)-c1ccccc1C2=O 587099663 REJVYPGOILVAQF-UHFFFAOYSA-N 413.476 7.214 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c(-c3ncccc3C(F)(F)F)nc2c1 587107637 DLDHDQYOBAOCMQ-UHFFFAOYSA-N 410.115 5.425 0 1 HKAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587108943 JPEBUGCMEHBKPL-UHFFFAOYSA-N 412.367 5.526 0 1 HKAF Fc1cccc(C2(F)CC(c3nc4ccc(I)cc4[nH]3)C2)c1 587131996 ZEURYJQWYXNXEG-UHFFFAOYSA-N 410.205 5.049 0 1 HKAF CCCCOc1cc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c2cc1Br 587175200 SGFWCLZIKIIFRY-UHFFFAOYSA-N 416.294 5.716 0 1 HKAF Cc1cc(-c2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)ccc1O 587207718 WAFPLWDULUHZKG-UHFFFAOYSA-N 413.476 6.794 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCOc3c(Cl)cccc32)[C@@H]1c1ccc(F)cc1 587331186 PCKDZRUNFVRKNN-OFNKIYASSA-N 410.828 5.222 0 1 HKAF CCc1ccc2c(c1)[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359329 RJHDIDSAFBGAJJ-NOZRDPDXSA-N 404.437 5.131 0 1 HKAF COc1cccc(-c2cc(-c3ccc(C(C)(C)C)nc3O)nc3c2oc2ccccc23)c1 587362987 KUJMWXRRZVOPNR-UHFFFAOYSA-N 424.500 6.722 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)[nH]c3cc(Br)ccc13)O2 587370524 FROPEMVXVTTWJJ-OAHLLOKOSA-N 405.679 5.181 0 1 HKAF CCc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587393051 YNAAFLUQAGJRFP-RUZDIDTESA-N 423.516 5.699 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](OC(C)C)c1ccccc1)O2 587399781 KBDXJKDMZFNHCL-IZZNHLLZSA-N 401.506 5.604 0 1 HKAF C[C@@]1(c2cc3cc(Br)ccc3o2)CC(=O)c2ccc3c(c2O1)CCCC3 587495674 FLXIPOKZUWOVPI-QFIPXVFZSA-N 411.295 5.955 0 1 HKAF O=C1C[C@](CNc2ccc(Cl)cc2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587498782 GUTWMHZDKWJNJR-SANMLTNESA-N 417.936 6.192 0 1 HKAF CC[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587548943 PAAQJEOZKMCKRJ-SIKLNZKXSA-N 414.379 5.678 0 1 HKAF CC1(C)Cc2ccc(Cl)cc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587552428 RNFBPZXLBFBUAG-RDPSFJRHSA-N 406.865 5.485 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)c2cccnc12 587552849 SVNKWMARRDAXAG-XXBNENTESA-N 403.821 5.297 0 1 HKAF CCOc1nc2ccccc2cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586604 KUURLYLWJMJMOT-ZJSXRUAMSA-N 413.429 5.042 0 1 HKAF CC[C@H](C)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC 587590333 BZVXXVLKYISILA-UNGHYCQRSA-N 404.462 5.617 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)c1ccccc1)c1ccccc1 587603138 MUFPFLDAXQZCOI-YIXXDRMTSA-N 422.436 5.132 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccccc1OC(F)(F)F 587656414 ZQHUOGKLTCNVJK-UHFFFAOYSA-N 418.321 5.230 0 1 HKAF CC[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587692666 HRFGNPLQMLYVFW-YPMLDQLKSA-N 417.149 6.083 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Cl)c2)(C(F)(F)F)N1 587709014 HFODVDUSHXUWPY-JDNHERCYSA-N 422.647 5.582 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccc(C(F)(F)F)cc2)N1 587710525 DISTZYFBZFYLHV-BBATYDOGSA-N 416.256 5.815 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(C2CCCC2)N1 587732226 INSGIZQHOLBONX-ASSNKEHSSA-N 406.314 5.695 0 1 HKAF COc1ccc2cc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 587807109 JUZJFHLCKDOTOY-DMZKTXOQSA-N 414.318 5.548 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccccc2)(c2ccccc2)N1 587815644 OALXYRPSMHHNQA-IPORTLJNSA-N 422.341 6.079 0 1 HKAF CC(C)c1cc([C@@]2(C(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587823223 SSOITQDVSACTHT-RCDICMHDSA-N 420.366 5.851 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccccc3)o2)N1 587831755 YEUYZNHMXBZHOU-ASSNKEHSSA-N 400.291 5.646 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SC3CCCCC3)o2)N1 587846226 URFXCFDXGWWFER-FKIZINRSSA-N 424.379 6.230 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(C)cc(C(F)(F)F)n1 587856261 UGTBVGSHHCKECA-UHFFFAOYSA-N 417.218 5.362 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Nc1ccccc1Cl 587863793 ISPRWQNHQJFNPJ-UHFFFAOYSA-N 409.795 5.701 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2cc(Cl)ccc2cc1C 587867752 DJCGKXXHHFZEOM-UHFFFAOYSA-N 418.806 5.472 0 1 HKAF Clc1cc(Br)cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 587955333 HNZWJAMIKQESNP-KRWDZBQOSA-N 411.730 6.353 0 1 HKAF CCC[C@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C(C)C 587956261 POAVIYXOCJJNSQ-KRWDZBQOSA-N 405.951 5.557 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]2(CCc1ccccc1)c1ccc(Cl)c(F)c1 963114589 UWSPWHNEBATYKO-NVQXNPDNSA-N 423.934 6.515 0 1 HKAF Cc1ccc(CNS(=O)(=O)c2ccc(/C=C/c3nc4ccccc4s3)cc2)cc1 1857769974 NHUWRWKJNYGYTD-NTCAYCPXSA-N 420.559 5.254 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356322631 UJDBZVSBLYRMDU-NVNFWNNKSA-N 418.706 6.830 0 1 HKAF CO[C@@H]1C[C@@H]2[C@H]([C@H](C)C=CC=C(C)C)CC[C@]2(C)C[C@@H]2[C@@H]3C1=CO[C@H]3C[C@@]2(C)O 2356335189 VQNZJDUMTPVGDO-QXCWNQIPSA-N 400.603 5.656 0 1 HKAF CC(C)[C@@H](O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356571564 VDKSIHRRZLCAGD-TYYJZQSJSA-N 420.678 5.410 0 1 HKAF CC=C(C)C(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]1CC=C(C)[C@@H]2CCC(C)=CC(=O)O 2356577374 BSBLTGZOARUDJS-PEARBKPGSA-N 402.575 6.086 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]45C[C@]35CC[C@@]12C 2356615917 PHXROWPRWPUNFG-HNXCESDCSA-N 424.713 8.089 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)[C@H](C)[C@@H]1C(=O)C3 2356668807 CALSSZVDBCEOTA-YLCGKHFZSA-N 424.669 7.476 0 1 HKAF CC(=CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CO 2356689871 CLACDUUQGFRYIM-DPAQBDIFSA-N 400.647 6.281 0 1 HKAF CC(C)=CCCC(=CCCC(C)=CCCC(C)=CCc1cc(C)cc(C)c1O)C(=O)O 2356741356 FNLOAPUFYUFXNF-UHFFFAOYSA-N 424.625 7.762 0 1 HKAF O=C(Nc1cccnc1SC[C@@H]1CCCN2CCCC[C@@H]12)c1ccc(Cl)cc1 2356761543 NXHAKVGXQVEYOV-PXNSSMCTSA-N 415.990 5.344 0 1 HKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5CO[C@H](O)[C@H]54)C3=CC[C@@H]12 2356801409 QOTHQFYQXIMAHN-UJFNSUBBSA-N 414.586 5.020 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C 2356807528 XVKYNQLFVQLBRN-JAAOMNDQSA-N 418.662 5.474 0 1 HKAF CCCC[C@H]1[C@@H]2C[C@H]([C@H](OC(=O)Nc3cccc(C(F)(F)F)c3)C2)[C@H]2CCCCN12 203468366 KIQSENCVZGIPGN-YNUHATHGSA-N 424.507 6.076 0 3 HKAF CCOc1ccc2oc(C(=O)N[C@H](CCSC)c3nc4ccccc4[nH]3)c(C)c2c1 6187312 AIMYRLXVAOYQLA-LJQANCHMSA-N 423.538 5.240 0 1 HKAF in-vitro CN(CC1CCN(Cc2ccc(F)cc2)CC1)CC(c1ccccc1)c1ccccc1 13862281 HPACYBRVSCXHGD-UHFFFAOYSA-N 416.584 5.802 0 1 HKAF c1csc(-c2ccc3c(-c4cc5cc(CN6CCCCC6)ccc5[nH]4)n[nH]c3c2)n1 14949254 RZHGVPDZIAXVBY-UHFFFAOYSA-N 413.550 5.821 0 1 HKAF c1ccc(C2CCN(C[C@@H]3C[C@@H]4c5ccccc5Cc5ccccc5[C@H]4O3)CC2)cc1 26667678 NTBSVMCWAHSWAK-RFYMFKDESA-N 409.573 6.084 0 1 HKAF CCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](C)CO 27184552 ITLCTBDDFRBMKO-ZBPDQRSVSA-N 417.678 7.045 0 1 HKAF O=C(O)CC/C=C\C[C@H]1CO[C@@H](c2cccc3ccccc23)O[C@H]1c1cccnc1 36242208 FGBMMJPOIOWZGC-NPEOLQBBSA-N 403.478 5.449 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1=CCC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C 36351385 PGZWWQIHFWJWNA-YMNUMZMBSA-N 412.702 8.709 0 1 HKAF C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 40915350 HPFAGQREBCZBHM-LBPRGKRZSA-N 420.822 5.574 0 1 HKAF CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Nc1ccccc1C 40934720 ZNEYMKBUYJEGSJ-JOCHJYFZSA-N 400.566 6.680 0 1 HKAF COc1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1 82150457 XROXTBFBPYWNOH-UHFFFAOYSA-N 400.486 5.437 0 1 HKAF CC(C)Oc1ccc(-c2nc3cc(CCCCCC(=O)O)cnc3o2)cc1Cl 84669876 HPVBLXVXTCFNHX-UHFFFAOYSA-N 402.878 5.518 0 1 HKAF C[C@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@]43C)[C@@H]2[C@@H]1C 85979249 DIFWJJFSELKWGA-WSCUIEBZSA-N 424.713 8.233 0 1 HKAF in-man CC(C)c1ccccc1SC1=C(O)CC(c2ccccc2)(c2ccccc2)OC1=O 100364162 QDPSJFNSGXBNCF-UHFFFAOYSA-N 416.542 6.562 0 1 HKAF CC[C@H](C)CCC[C@](C)(CCC[C@@H](C)CCCC(C)C)[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 102191884 CYGHPBQDCJXIPT-RWJWSVIKSA-N 420.810 10.550 0 1 HKAF CC(=O)N1N=C(c2ccc(N)cc2)C[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 103200543 KDEHRJBOQMCUNH-LJQANCHMSA-N 414.292 5.533 0 1 HKAF C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 135608558 CIBAPVLFORANSS-BQVCAETNSA-N 414.630 6.002 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](O)(CCCO)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 141086033 UPHXRVZRRMJRQX-NOZOKNSHSA-N 409.614 5.621 0 1 HKAF C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@@H]2CCN(C(=O)c3ccccc3)C[C@H]21 169358282 MSNQMTTUFQUCKG-ALKREAHSSA-N 412.455 5.625 0 1 HKAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1nc2ccc(C)cc2n1C 169722383 YUAWDQIYHMJFCW-NHCUHLMSSA-N 424.335 5.864 0 1 HKAF CC(C)=CCc1c(O)ccc([C@H]2COc3cc(O)c(CC=C(C)C)c(O)c3C2=O)c1C 238752646 RRFGKCDCTGILDM-HXUWFJFHSA-N 422.521 5.488 0 1 HKAF CCN1CN(CC)[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)c(Cl)c1 253672935 OQFFQHMTVWETIW-RTBURBONSA-N 418.195 6.698 0 1 HKAF Oc1cccc(CCCCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 586896746 WYOXHURWMOYYJK-UHFFFAOYSA-N 413.237 5.615 0 1 HKAF Oc1cccc(CCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 586897200 UJJBTKTXHXSHAI-UHFFFAOYSA-N 423.310 5.395 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(F)cc3[nH]2)c1C=O 586967750 FKYPRICHRPEOPD-UHFFFAOYSA-N 414.893 5.013 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(SC(F)F)cc3)nc3ccc(O)c1c23 586985981 ISZXHNOJILEYLA-UHFFFAOYSA-N 405.425 6.134 0 1 HKAF Cc1ccc(-c2nc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c(C)s2)cc1 587012985 FZMRRBGWVHTKEA-UHFFFAOYSA-N 407.848 6.642 0 1 HKAF Cc1cc(Br)c2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2c1 587064232 FTKSMYPMLVJURH-UHFFFAOYSA-N 417.690 6.126 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1 587071337 KEPNPJFWWGEQLA-IGRMAVJHSA-N 419.283 6.073 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c(C)ccc(C)c4[nH]3)c(Cl)cc12 587078121 IFKWLBKYEUZFOK-AWEZNQCLSA-N 410.901 6.032 0 1 HKAF Cc1ccc2c3c(cc(/C=C\c4cn(C)c5ccccc45)nc13)-c1ccccc1C2=O 587097420 HFPSSZNNJYLNHX-SEYXRHQNSA-N 400.481 6.417 0 1 HKAF CCOc1ccccc1[C@H]1CC(=O)Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587106540 LDQBJEYINPNLMA-OAQYLSRUSA-N 419.480 5.492 0 1 HKAF Cc1cc(C)c2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2c1 587120041 OLFISKFSTILNTH-UHFFFAOYSA-N 407.399 5.575 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(F)c1 587145399 VUJUKCBCNFOWOX-UHFFFAOYSA-N 414.358 6.061 0 1 HKAF Fc1cc(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)ccc1-c1ccccc1 587145701 OQWQZJLOODMJCU-UHFFFAOYSA-N 417.228 6.001 0 1 HKAF Fc1ccc(/C=C\c2nc3c(Br)ccc(Br)c3[nH]2)c(F)c1 587150269 RJVZJCQXXOKQCP-KXFIGUGUSA-N 414.047 5.537 0 1 HKAF O=c1c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587170962 HIRDZMNPEVZMFW-UHFFFAOYSA-N 421.325 5.057 0 1 HKAF O=C1Oc2ccccc2C(=O)[C@H]1[C@H](Cc1cc2c3c(cccc3n1)CC2)c1ccccc1 587217721 YPWKJZXSBKRCSN-ATIYNZHBSA-N 419.480 5.078 0 1 HKAF C[C@]1(c2nc(C(F)(F)F)cs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327057 DRPOXJXSZYISIZ-LPHOPBHVSA-N 423.387 5.281 0 1 HKAF CC[C@H](C)c1ccc([C@@]2(CC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587358426 XYUNWOISXKJXLC-MFTACUCHSA-N 418.508 6.709 0 1 HKAF C=C1N=C2N=CNN2C(C)=C1c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587364004 VNKGEWDXGXRZNQ-UHFFFAOYSA-N 421.460 5.119 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(C(F)(F)F)c(F)c1)O2 587380340 DHWHKMROVFWUPN-QFIPXVFZSA-N 415.386 5.644 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o1)O2 587381396 IBCADOUBFUSSAW-IBGZPJMESA-N 421.802 6.216 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O 587420481 PXIVNXFTBXXTTC-FDDCHVKYSA-N 411.284 5.693 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Oc1ccc(F)c(F)c1)CC2=O 587466022 JAJJZDDOTAIAOR-HSZRJFAPSA-N 410.416 6.122 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](c3ccccc3)c3ccc(O)cc31)CC2=O 587487283 ZGIAMPPRUZJKHG-WINIVTDRSA-N 414.501 5.837 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1nc3cc(Br)ccc3s1)CC2=O 587495486 OTIKPJWZCMLJNL-MRXNPFEDSA-N 418.312 5.423 0 1 HKAF C[C@@]1(c2ccc3ncc(Br)cc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587499622 SRCCHUUJKHRMCV-QHCPKHFHSA-N 422.322 5.757 0 1 HKAF Cc1ccc(-n2nc(C)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2Cl)cc1 587503874 ZQORDSBDKIWVAS-OAQYLSRUSA-N 406.913 5.728 0 1 HKAF CC[C@@]1(CC(=O)O)Cc2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587529160 JVMAHIRAFGQNHS-UIOOFZCWSA-N 404.506 5.243 0 1 HKAF CCCCCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587597566 QXVVVLOSIJHRCK-JYFHCDHNSA-N 418.489 6.054 0 1 HKAF C[C@@]1(c2cccc(-c3ccccc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604816 YVRFNPOITDVQBG-SQHAQQRYSA-N 408.453 5.936 0 1 HKAF CSc1ccc2c(c1)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611591 GREPLQWZQTTXFP-ZJSXRUAMSA-N 404.487 5.308 0 1 HKAF Cc1cccc(Br)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587677874 MIBPCEFTDZZLJH-BMLIUANNSA-N 413.128 5.283 0 1 HKAF CCCCn1nc(C)c(Cl)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587694292 GSGKCZHZQOVFQZ-BTDLBPIBSA-N 414.750 5.170 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccc(Cl)c(Cl)c2)N1 587699960 ZAXPSDBSNAGNBR-MUJOGPJLSA-N 415.133 6.184 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)ccnc2Cl)N1 587708039 XNPSXXCKCIERIA-PWJLMRLQSA-N 404.110 5.088 0 1 HKAF CC[C@@]1(c2ccccc2OC(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587713519 DLIGAPXBTZDUHL-WLRWDXFRSA-N 414.265 5.377 0 1 HKAF Cc1cc(OC(F)F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587713527 DNUZCFXKKYFZPG-ADLMAVQZSA-N 414.265 5.430 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)ccnc2Cl)N1 587716267 ZDJRIZYZEMLVPY-NXSYQRQQSA-N 423.635 5.279 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(Cc3ccccc3)C(C)(C)C2)N1 587762275 RXCWZVWXUDIJPB-QRQCRPRQSA-N 417.366 5.002 0 1 HKAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC(C)C 587790730 HXTUYJFLDCPMSF-YUNKPMOVSA-N 408.311 5.008 0 1 HKAF CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC 587801364 KRDKVOWFRNVQTK-YUNKPMOVSA-N 408.311 5.009 0 1 HKAF CCOc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC 587803093 VYVYTLBNXQMBNX-ZSEKCTLFSA-N 422.338 5.183 0 1 HKAF Cc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587814920 JEAHHBGKJMQLLR-OSPHWJPCSA-N 424.357 6.031 0 1 HKAF C[C@@H]1C[C@H](c2ccccc2)C[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587816864 FEMNXIDBCDTBGL-CABRAYNUSA-N 402.351 5.922 0 1 HKAF COc1ccc(-c2ccc(-c3nc4ncc(Br)c(C)c4[nH]3)cc2)cc1OC 587925843 DLBGYQFIKFEOSI-UHFFFAOYSA-N 424.298 5.380 0 1 HKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587951970 VMNURICVOTYPPB-NSHDSACASA-N 424.344 6.894 0 1 HKAF Cc1cc2c(cc1F)[C@@](Cc1cccc(Br)c1)(c1ccccc1)NCC2 962089142 GETZMJFFQGPOLL-HSZRJFAPSA-N 410.330 5.529 0 1 HKAF COc1cccc([C@]2(c3ccc(C)c(C)c3)c3ccc(F)cc3C[C@H]3CCCN32)n1 963112925 XXPZLESEYCWHFE-GJZUVCINSA-N 402.513 5.159 0 1 HKAF S=C(Nc1ccc(Br)cc1)Nc1ccc(-c2nc3ccccc3o2)cc1 1857546214 VUDOIKNZRMZVGR-UHFFFAOYSA-N 424.323 6.066 0 1 HKAF Cc1c(C(=O)Nc2ccc(F)c(F)c2)sc(N)c1C(=O)Nc1ccc(Cl)cc1 1857606410 HMBPAZZLGAJUKS-UHFFFAOYSA-N 421.856 5.075 0 1 HKAF CCOCCNc1cc2nc3n(c(=O)c2cc1F)CC/C3=C\c1ccc(C(C)C)cc1 1911577485 RLXFJZDPQDGXBS-CPNJWEJPSA-N 421.516 5.052 0 1 HKAF CC1(C)CC[C@]2(C)CC=C3[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@]34C)[C@@H]2C1 2356602896 OZQWSBFSSQJLEC-FPAXZARWSA-N 410.686 7.987 0 1 HKAF CCCC[C@H](C)C=CC=C(C)[C@@H]1OC(=O)[C@H](C=C(C)C=C[C@H](O)[C@@H](C)C(C)=O)[C@H]1C 2356674998 BRWLVJDGMFALOU-LAIGHDOXSA-N 416.602 5.581 0 1 HKAF O=C(Nc1cc(F)ccc1F)Nc1ccccc1CN1CCC(c2ccccc2)CC1 13475782 RCQSDHOSNSDSFS-UHFFFAOYSA-N 421.491 5.988 0 1 HKAF CCCCc1nc(Cl)c(COC)n1Cc1ccc(-c2cccc(C(=O)O)c2)cc1 13493352 FBYUUFGNELZBQR-UHFFFAOYSA-N 412.917 5.439 0 1 HKAF Cc1ccc(-c2c(-c3ccccc3)sc(N)c2C(=O)c2ccc3ccccc3c2)cc1 13518355 OFLXAWPGPGCHDC-UHFFFAOYSA-N 419.549 7.357 0 1 HKAF Fc1ccc(Nc2nccc(-c3c(C4CCCCC4)nn4ncccc34)n2)cc1F 13582771 ZFSROZCISCIVQI-UHFFFAOYSA-N 406.440 5.256 0 1 HKAF Fc1ccc(CN2CCC(CNOC(c3ccccc3)c3ccccc3)CC2)cc1 13862277 VXIRNZHRQNADGN-UHFFFAOYSA-N 404.529 5.349 0 1 HKAF COc1ccccc1Oc1ccc(-c2cn(C3CCCC3)c3ncnc(N)c23)cc1 26264158 QHGOOYBPYMDOFS-UHFFFAOYSA-N 400.482 5.597 0 1 HKAF CC[C@H](c1ccccc1)c1c(O)c2c(oc1=O)[C@@H](Cc1ccccc1)CCCCCC2 27520587 QEYQUQCTTUQQLK-DHIUTWEWSA-N 416.561 6.720 0 1 HKAF CCCCCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1Cl 28642799 ARBBOHNBMWZRMR-UHFFFAOYSA-N 420.948 5.582 0 1 HKAF O=C(O)CC/C=C/C[C@H]1CO[C@H](c2ccccc2Cl)O[C@@H]1c1ccccc1O 35635981 WHUIENZXNGAHQI-ROKDQTPZSA-N 402.874 5.260 0 1 HKAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](N(C=O)C5CCCCC5)CC[C@@H]4[C@H]3CC[C@@H]12 36189606 GWOHHTZQGRQPDS-VACTTWQNSA-N 414.634 5.010 0 1 HKAF CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(CO)CC[C@H](O)CC1=C[C@@H]3O 40936918 FNLULDRVESXFIV-RRYJOHNASA-N 416.646 5.108 0 1 HKAF Cc1ccccc1[C@@H](OC[C@@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 49037202 PYNFKKBWKOSQPJ-BDYUSTAISA-N 417.593 5.588 0 1 HKAF CN1CCN(c2ccc(Nc3ccnc4ccc(-c5ccc(C=O)cc5)cc34)cc2)CC1 58540753 GHKIAGUJUFVADU-UHFFFAOYSA-N 422.532 5.210 0 1 HKAF Cc1cc2c3cc(Cl)ccc3nc(CSc3nc(-c4ccccc4)cn3C)n2n1 66259774 PJVOPXRHYVUORG-UHFFFAOYSA-N 419.941 5.537 0 1 HKAF CCN(CC)Cc1csc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)n1 71282058 VQUDVABTLAHKBI-UHFFFAOYSA-N 418.006 5.687 0 1 HKAF O[C@@H](c1cccc(OC(F)(F)F)c1)c1nnc(Nc2ccc(F)c(Cl)c2)s1 82083188 GFBVEIYPPVHGLW-ZDUSSCGKSA-N 419.787 5.055 0 1 HKAF COc1cc2nc(NCc3ccc(F)cc3)nc(NCc3cccs3)c2cc1OC 82119800 FCONNJYYVHYXNY-UHFFFAOYSA-N 424.501 5.072 0 1 HKAF Fc1ccc(-c2nc(NCC3CCCCC3)ncc2-c2nc3ccccc3s2)cc1 82164257 UJJZBUMOTDYRST-UHFFFAOYSA-N 418.541 6.552 0 1 HKAF Cc1cccc(-c2nc(N(C)CC(C)C)ncc2-c2ncc(-c3ccccc3)s2)c1 82173024 HSVIFOUWBFKAAA-UHFFFAOYSA-N 414.578 6.335 0 1 HKAF CCc1cnc(-c2cnc(NCCc3cccc(F)c3)nc2-c2cccc(C)c2)s1 82173646 JGJWKZZBFOYDOX-UHFFFAOYSA-N 418.541 5.932 0 1 HKAF CC[C@@H](C)Cn1c(-c2cccnc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188139 ONJIRUOZDFODJQ-MSOLQXFVSA-N 400.530 5.150 0 1 HKAF N=C(N)c1ccc2cc(C(=O)Nc3ccc4c(c3)C(C3CCCCC3)=NCC4)ccc2c1 89469487 AHUSDTFUJCFPKZ-UHFFFAOYSA-N 424.548 5.302 0 1 HKAF CN(C)c1ccc(NC(=O)Nc2cccnc2Oc2cccc(C(F)(F)F)c2)cc1 95591579 IGFQMGSXPLHLHY-UHFFFAOYSA-N 416.403 5.603 0 1 HKAF COc1cc(-c2nc(C3CCC3)n3ccnc(N)c23)ccc1Oc1cccc(C)c1 96168072 FHGZYGWEDBHNEH-UHFFFAOYSA-N 400.482 5.355 0 1 HKAF O=[S@@](c1ccc(F)cc1)c1cc2ccccc2[n+](CCCCCc2ccccc2)c1 96939326 JBWYNGJTFYREHZ-SSEXGKCCSA-N 418.557 5.846 0 1 HKAF Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(C(F)(F)F)cc1C(F)(F)F 117595435 DEPOPFMYODZFIR-UHFFFAOYSA-N 416.321 5.058 0 1 HKAF CC/C=C/C/C=C/C/C=C\C/C=C\C/C=C\C/C=C/CCC(=O)OC[C@@H](O)CO 169364311 JWPHORDRFVRZPP-XOVQUTJGSA-N 402.575 5.361 0 1 HKAF O=C1C[C@](CC2CCCCC2)(c2ccccc2)OC(=O)[C@@H]1SCc1ccccc1 169684718 MEARHPXCXSFRJA-ILBGXUMGSA-N 408.563 5.670 0 1 HKAF Cc1ccc([C@@H]2CC(c3ccc(Cl)c(Cl)c3)=NN2c2nc(O)cs2)cc1 169728204 HBORQRNCFMLINB-KRWDZBQOSA-N 404.322 5.820 0 1 HKAF c1ccc(CN2[C@@H](c3ccccc3)C3=C(NO[C@@H]3c3ccccn3)[C@@H]3CCCC[C@H]32)cc1 195451781 JJQHRZMERXCEHL-FJJKMLSJSA-N 423.560 5.728 0 1 HKAF Cc1cc(-c2nc(-c3ccc(OC(F)F)c(Cl)c3)n3c2CCO[C@H](C)C3)ccn1 221784155 XSTJITGJFWVPIL-CYBMUJFWSA-N 419.859 5.137 0 1 HKAF CC(C)[C@H]1CC[C@@H]2[C@]3(C)CC[C@H]4C(=CC[C@@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@@]21C 255249835 NYHSEYGDWZMIEZ-GCKZLQSBSA-N 410.730 9.054 0 1 HKAF Cc1ccc(C)c(/C=C/[C@](C)(O)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O)c1 299858008 FZSZBTBWMHYGHU-FKWLJUAFSA-N 412.658 6.841 0 1 HKAF CCCCCCNC(=O)n1cc(CCCC)c(C(=O)Nc2ccc(F)cc2Cl)n1 473089957 UCZRVVFZGJYLMY-UHFFFAOYSA-N 422.932 5.409 0 1 HKAF CC[C@@H]1OCCC[C@H]1c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 586907500 AVLYCUOPRAJFRJ-QAPCUYQASA-N 417.431 5.507 0 1 HKAF Cc1cc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cc1Cl 586982705 OOCCPUKEEOHNMI-HNNXBMFYSA-N 405.767 6.660 0 1 HKAF Cc1ccc2c3c(cc(C(=O)c4ccc(C(F)(F)F)cc4)nc13)-c1ccccc1C2=O 586991964 BSFIJIDZLOQCBF-UHFFFAOYSA-N 417.386 6.004 0 1 HKAF Cc1cc(Br)cnc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586994113 UXTVCVLRXBPYDE-UHFFFAOYSA-N 415.290 5.888 0 1 HKAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)s1 587014002 FZJRAEHCLIWUBX-NSHDSACASA-N 424.364 5.642 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5cncc(C)c5[nH]4)c23)cc1 587037398 DEYKNOUTQLNYIO-UHFFFAOYSA-N 403.536 5.539 0 1 HKAF COc1cccc(-c2ccc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)c(Cl)c2)c1 587051900 GGZOKQVPFWDXFS-UHFFFAOYSA-N 421.928 5.499 0 1 HKAF COC(=O)c1ccnc2[nH]c([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc12 587069853 FRJOXKQBAHYUHR-AMKQFNALSA-N 416.308 5.417 0 1 HKAF Oc1nc2cc3nc(/C=C/c4ccc(OCc5cccc(Cl)c5)cc4)[nH]c3cc2[nH]1 587071553 OUKUIPOFXMPIQE-RMKNXTFCSA-N 416.868 5.548 0 1 HKAF COc1nc(N2CCCC2)ccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587095970 ANWYYXRARMBDMY-UHFFFAOYSA-N 421.500 5.425 0 1 HKAF C[C@@H](c1nc2cc(Cl)c(F)c(F)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129496 LMAMLPPKMWGMJI-VKHMYHEASA-N 417.140 5.829 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)ccc2F)cc1 587139566 PKRLSQQXLRELGV-UHFFFAOYSA-N 400.240 5.940 0 1 HKAF Fc1ccc(/C=C(/c2nc3cc(Br)cnc3[nH]2)c2cccs2)cc1 587164060 NSMXHOWXLFKSCN-RIYZIHGNSA-N 400.276 5.510 0 1 HKAF CCc1ccc([C@@]2(c3ccccc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587420416 PAADZUBYBJPEBA-NLFFAJNJSA-N 404.893 5.602 0 1 HKAF CCN(CC)c1ccc([C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587427743 FRXQNWRYRBYTIB-KCWPFWIISA-N 413.517 5.233 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(C13CC4CC(CC(C4)C1)C3)CC2=O 587466710 BAVUCLBWOKWHTD-CXSHBFNJSA-N 409.570 5.340 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(=O)O)c(F)c3)cc1)CC2=O 587467965 VGRUJZDTKRIVKT-HSZRJFAPSA-N 420.436 5.556 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1sc(Oc3ccccc3)nc1Cl)CC2=O 587494625 MXAYZJNAAPEFMW-KRWDZBQOSA-N 415.898 5.953 0 1 HKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1ccccc1)Nc1ccccc12 587521593 CPKOANUDWNUGLU-RPLLCQBOSA-N 409.485 5.162 0 1 HKAF O=C1C[C@@H](c2c[nH]c3c(OCc4ccccc4)cccc23)Oc2c1ccc1c2CCCC1 587523015 GQAFDBDEODWKPN-SANMLTNESA-N 423.512 6.332 0 1 HKAF CCCc1sc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587533513 WODFCFKMKQSCRE-NRFANRHFSA-N 419.384 6.223 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1ccc(C(F)(F)F)cc1 587551029 XJIHPOFSSASYIG-ICSRJNTNSA-N 414.379 5.374 0 1 HKAF CC1(C)CCc2ccccc2[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587600481 BCPJPGBKBBRMQW-GJZUVCINSA-N 400.474 5.612 0 1 HKAF COC(=O)c1c(-c2c(-c3ccccc3Cl)noc2C)[nH]c2cc(Cl)c(F)cc12 587628090 HMPFJFJJMUNRSM-UHFFFAOYSA-N 419.239 6.031 0 1 HKAF CCCCc1c(-c2c(O)cc(OC)c(Cl)c2O)[nH]c2ccc([C@H](C)CC)cc12 587637911 BHAZMAACFLEREH-CYBMUJFWSA-N 401.934 6.764 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c([C@@H](C(=O)O)c3ccc(Cl)cc3)c2c1 587639578 ACQAWNXEJUVDPF-HJPURHCSSA-N 417.936 7.218 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)Br)c(C(=O)c3ccccc3)c2c1 587639721 CAYWLYHTCLVJHL-GFCCVEGCSA-N 406.270 6.357 0 1 HKAF CCCC[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587695616 BWJQSOSTJFJXIY-XCLFUZPHSA-N 410.758 6.210 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cc(Cl)ccc3n2)N1 587697850 MZYFCAKIYWWIJV-DGIBIBHMSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)(F)F)c(F)c2)N1 587723235 WABYFOMRUBHWJD-ZKANADHPSA-N 422.191 5.250 0 1 HKAF Cc1cc(C)cc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587753469 JBWYJMNVNMHMNW-QRQCRPRQSA-N 413.334 5.619 0 1 HKAF Cc1ccc(-n2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1C 587756690 DXTUDMGJWBCWES-SPLOXXLWSA-N 414.322 5.014 0 1 HKAF Cc1ccc(-c2cncc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 587774342 MQNYAWUBIUGPPW-PEBXRYMYSA-N 411.318 5.582 0 1 HKAF Oc1ccc(OCc2ccccc2)cc1-c1nc2ccc(Br)c(F)c2[nH]1 587782549 PLCAZSSRASBFHK-UHFFFAOYSA-N 413.246 5.416 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC2(O)CCCCC2)(C(C)(C)C)N1 587822516 OOYBSTMLNYSNKW-SPLOXXLWSA-N 412.387 5.449 0 1 HKAF Cc1oc2ccc(O)cc2c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587828184 MPQPNTRXQCJIHW-SBKAZYGRSA-N 404.279 5.146 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3cccs3)n2)N1 587853755 RKDPZYBSULFWLY-JDNHERCYSA-N 409.349 5.397 0 1 HKAF Fc1ccc(-c2cc3ncnc(-n4nc5cc4Oc4ccc(F)cc4-5)c3s2)cc1 587874155 VYIVRMZACNRCIG-UHFFFAOYSA-N 404.401 5.595 0 1 HKAF CCOc1cc(C(C)=O)c(OCC)n1CCOc1cc(C)c(Cl)cc1C(C)C 587942870 DNCITHOOOPWBMB-UHFFFAOYSA-N 407.938 5.652 0 1 HKAF CC(C)c1cc(OC(C)(C)C)n(CC2CCN(Cc3ccc(F)cc3)CC2)c1O 587947401 WODUMPPITJFEBZ-UHFFFAOYSA-N 402.554 5.546 0 1 HKAF COc1cccc([C@@]2(c3ccc(Cl)nc3)c3cc(OC)ccc3CCN2C(C)C)c1 962095370 YLYQWKGYGAJRSL-RUZDIDTESA-N 422.956 5.311 0 1 HKAF Cc1c(F)ccc2c1[C@]1(NCC2)c2cccc(Cl)c2C(=O)c2cccc(Cl)c21 962376712 QKERFUUFDZDRAO-HSZRJFAPSA-N 412.291 5.423 0 1 HKAF CCOC(=O)[C@@H]1CC[C@]2(C(CC)=C1C)c1ccsc1CCN2Cc1cccn1C 962402093 ZFAGOBYJRYLKIX-DVECYGJZSA-N 412.599 5.040 0 1 HKAF CC(C)C[C@]1(c2cccc(C(F)(F)F)c2)c2ccsc2CCN1Cc1ccco1 962699962 BFNKJTQJLIRQRI-QFIPXVFZSA-N 419.512 6.708 0 1 HKAF Cc1onc(-c2c(Cl)cccc2Cl)c1[C@@]1(C)NCCc2c1c(C(C)C)nn2C 962924143 VPYDJBJJVISLNN-OAQYLSRUSA-N 419.356 5.223 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CC(=O)c2ccccc2O)(c2ccccc2)N1 962946766 JEODYUVQBNHEMM-PPHZAIPVSA-N 410.517 5.314 0 1 HKAF CC(C)[C@@H](c1ccccc1)[C@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962950242 FEZDVLQYBDIRGZ-VXKWHMMOSA-N 403.488 5.838 0 1 HKAF Cc1sc2c(c1C)CCN[C@@]2(c1cccc(F)c1)c1c(N)sc2c1CCCC2 963008047 IZPOENKTJLKCDD-QHCPKHFHSA-N 412.599 5.464 0 1 HKAF CCCCCCOc1c(-c2cc(OC)c(OC)c(OC)c2)oc2ccccc2c1=O 1772635543 DUCZUIMJMUDIOI-UHFFFAOYSA-N 412.482 5.445 0 1 HKAF Fc1cccc2c1[C@@H](C1CCN(c3ccc(-c4cccnc4)cc3)CC1)n1cncc1-2 1857534989 VOBYOKFNTHIZRB-AREMUKBSSA-N 410.496 5.571 0 1 HKAF O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2[C@@H]1c1ccccn1 1857606056 SIFJGTZNZMRBLF-GOSISDBHSA-N 404.322 5.630 0 1 HKAF CC(=O)Nc1cn2cc(-c3cc(NC(=O)c4cccc(Cl)c4)ccc3C)ccc2n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c1cc(-c2coc3cc(O)cc(O)c3c2=O)ccc1O)CCCC(C)(C)O 2356682244 PDLBZGJKGCEGQH-UHFFFAOYSA-N 424.493 5.007 0 1 HKAF CCCc1cc(Oc2c(O)cc(O)c(Cl)c2CCC)c(Cl)c(O)c1Cl 2356722468 IAXYDKDNACGYIT-UHFFFAOYSA-N 405.705 6.461 0 1 HKAF CCCCNC(=O)c1nc2cc(C)c(C)cc2nc1-c1cccc(C(F)(F)F)c1 206051567 URMURACPSYPHJQ-UHFFFAOYSA-N 401.432 5.462 0 3 HKAF CCCCCC[C@@H](C)OS(=O)(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C 3778054 YNHXNUJRUYIHST-QGZVFWFLSA-N 412.596 5.675 0 1 HKAF CCCN(CCC)c1nccn2c(N(C)c3ccc(Cl)cc3Cl)nc(C)c12 13437352 YXGDXNZJUDMHHR-UHFFFAOYSA-N 406.361 5.739 0 1 HKAF C[S@@](=O)c1cccc(CSc2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)c1 13491669 ASWWEASHSSNEMM-LJAQVGFWSA-N 423.538 5.308 0 1 HKAF CC[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 13674504 WGASCOQFQPNVOL-KRWDZBQOSA-N 405.325 5.650 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 13783687 JQMQKOQOLPGBBE-PDKMZFMNSA-N 402.663 6.648 0 1 HKAF O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)o1 28126787 ZRPKPJAJWKOWLI-UHFFFAOYSA-N 416.308 5.446 0 1 HKAF CCC[C@@H](O)CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28528069 GUDLCZGAURQOQZ-JOCHJYFZSA-N 407.533 5.223 0 1 HKAF CCc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@H]2[C@@H](CC)C(=O)O 28563177 KIPPYACIJFQVQP-IRLDBZIGSA-N 419.521 5.666 0 1 HKAF C=C(c1ccccc1N(Cc1ccc(Cl)cc1)C(=O)C(F)(F)F)n1ccnc1 28763769 ILPMYFSFRQPKGT-UHFFFAOYSA-N 405.807 5.151 0 1 HKAF O=C(O)COc1c(O)cc(-c2cccc(C(F)(F)F)c2)cc1OCc1ccccc1 28825958 CQKVMIFANGYBEI-UHFFFAOYSA-N 418.367 5.120 0 1 HKAF Oc1ccc2cc1Oc1ccc(cc1)CCc1ccccc1-c1ccc(cc1O)CC2 29124307 OAEVJFPPXJHCKV-UHFFFAOYSA-N 408.497 6.441 0 1 HKAF in-vivo CC(C)=CCC/C(C)=C/Cc1cc2c(cc1O)OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4 29124355 GWPLWWRLEHMIPE-HPRYFGGTSA-N 420.505 5.966 0 1 HKAF CSc1ccc(NC(=O)/N=c2\cc(C)[nH]c3ccccc23)cc1Br 34023776 MMKLPEYATQWYNX-UHFFFAOYSA-N 402.317 5.094 0 1 HKAF O=C(O)c1cc2[nH]c(-c3ccc(-c4ccccc4)cc3)c(C3CCCCC3)c(=O)n2n1 34820369 GTWHXJNODKLKSN-UHFFFAOYSA-N 413.477 5.103 0 1 HKAF CCCCn1c(C(C)C)nc2cc3c(Nc4ccc(OC)c(OC)c4)ncnc3cc21 40913341 IANCTYZEIGAQJR-UHFFFAOYSA-N 419.529 5.664 0 1 HKAF CN1CCC(C(=O)Nc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)cc2)CC1 45303034 VZSIBJBPHRLKCZ-UHFFFAOYSA-N 416.550 5.239 0 1 HKAF CCCN(CC1CC1)C(=O)c1c(CC)nc2n1CCCN2c1c(C)cc(C)cc1C 49054373 UPCIIZFDNWAFAO-UHFFFAOYSA-N 408.590 5.175 0 1 HKAF O=C(Nc1ccc(F)cc1)N1CCc2ccncc2[C@@H]1c1ccc(C(F)(F)F)cc1 59185786 HWFXDMOBQPNQNX-FQEVSTJZSA-N 415.390 5.419 0 1 HKAF CC(C)c1cnc(C(=O)[C@@H]2CCCN2C(=O)CCc2ccc(-c3ccccc3)cc2)[nH]1 64548787 IUKIJGBFRJQSCH-QHCPKHFHSA-N 415.537 5.007 0 1 HKAF FC(F)(F)Oc1cccc(-c2nnc3ccc(-c4cccc5ncccc45)cn23)c1 82082192 CDCDSWQEEXJVRQ-UHFFFAOYSA-N 406.367 5.510 0 1 HKAF COc1cc2nc(N3CCC(C)CC3)nc(NC[C@@H](C)c3ccccc3)c2cc1OC 82125743 UECGAPZUFXQKPW-GOSISDBHSA-N 420.557 5.099 0 1 HKAF CCCCNc1ncc(C(=O)NCc2ccccc2Cl)c(-c2cccc(C)c2)n1 82146267 AKLQGRWOUJQMJF-UHFFFAOYSA-N 408.933 5.247 0 1 HKAF CC[C@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NC3CCCCCC3)ncnc21 82197315 TZRFYCAFGNGIMD-INIZCTEOSA-N 423.561 5.388 0 1 HKAF COc1ccc(-c2cc(-c3ccc(Cl)cc3)n([C@H]3C(=O)Nc4ccccc43)n2)cc1 103021508 HTIXZSSARRBZPC-HSZRJFAPSA-N 415.880 5.421 0 1 HKAF CO[C@]1(c2ccc(F)cc2)C=CC(C2CCCCCC2)(C2CCCCCC2)OC1 103173224 LFHWVCFBNKXCPI-RUZDIDTESA-N 400.578 6.933 0 1 HKAF CCCCCSc1nc2n(n1)[C@H](c1ccc(F)cc1)/C(=C(/O)OCC)C(C)=N2 104116136 DROGGNAOTJCGON-FXBHHXAOSA-N 404.511 5.201 0 1 HKAF CN(C(=O)[C@@H](CC(=O)O)CC1CCCC1)c1nc(-c2ccccc2Cl)cs1 117510350 ABCKFBCOWDNJJY-CQSZACIVSA-N 406.935 5.098 0 1 HKAF O[C@]1(C(F)(F)F)c2ccccc2-c2c(-c3cnn(Cc4ccccc4)c3)cccc21 144859522 BZVDEUJLULCSPH-HSZRJFAPSA-N 406.407 5.377 0 1 HKAF CC1=C(O)[C@H](C[C@H](C)CCC/C(C)=C/C=C/[C@@H](C)CCCc2ccoc2)OC1=O 153866275 LLUVPJMUQYMVHU-PVBZDNFXSA-N 400.559 6.695 0 1 HKAF COc1cc(OC)c2ccn(CCCCC[C@H]3CCC[C@]4(CC[C@H](C)O4)O3)c2c1 169326586 DDQUTDGKOGEREW-AXHZCLLHSA-N 401.547 5.683 0 1 HKAF CCOC(=O)c1c(-c2ccccc2)oc2ccc(Oc3ccc4ccccc4c3)cc12 169337531 LNOHQMXNMNZMBI-UHFFFAOYSA-N 408.453 7.222 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@@H]1c1ccc(-c2ccccc2C)cc1 169728376 JKPRYYGLCUPJOU-RPBOFIJWSA-N 415.533 5.653 0 1 HKAF O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2ccccc2F)c1 216053229 GHKIEFGDQSUEOC-UHFFFAOYSA-N 406.888 5.524 0 1 HKAF COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccc(C)cc1)C2 473129489 HFEHWYKTDLFPIN-UHFFFAOYSA-N 415.558 6.280 0 1 HKAF CC(C)COc1cc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586883880 MLJKBKPZSLHXCP-FQSKDFRHSA-N 403.364 5.828 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(Br)ccc3Cl)nc2c1 586980516 VKIIEVIOTBZJOQ-UHFFFAOYSA-N 400.059 5.086 0 1 HKAF COc1ccc([C@@H]2CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)cc1 586993546 XYRYBHMBCQKFMF-MRXNPFEDSA-N 407.469 5.433 0 1 HKAF Cc1ccc2c3c(cc(CC(=O)Nc4ccc(F)c(F)c4)nc13)-c1ccccc1C2=O 586994687 CAHSUUSMHDTRRJ-UHFFFAOYSA-N 414.411 5.214 0 1 HKAF Fc1c(Cl)cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1F 586999254 WWDPOPRYSPBAOA-OWOJBTEDSA-N 413.605 5.156 0 1 HKAF Cc1cc2nc(-c3cc(Br)c(Br)n3C(C)C)[nH]c2cc1C 587005104 NGYSMAJXXUGSEP-UHFFFAOYSA-N 411.141 5.754 0 1 HKAF CC(C)COc1cc2nc(-c3csc4ccc(O)cc34)[nH]c2cc1Br 587032052 GEQNTECETUAJAR-UHFFFAOYSA-N 417.328 5.948 0 1 HKAF FC(F)(F)c1ncc2nc(CCN3c4ccccc4Sc4ccccc43)nc-2[nH]1 587041093 VYORLBTXMMUXST-UHFFFAOYSA-N 413.428 5.169 0 1 HKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cccc(I)c2[nH]1 587062512 UNOKBVVTZPRWIQ-CYBMUJFWSA-N 412.658 5.351 0 1 HKAF Clc1ccccc1OCCn1c(-c2nc3cncc(Cl)c3[nH]2)cc2ccccc21 587063900 CNVSWMUXEFMUAH-UHFFFAOYSA-N 423.303 5.965 0 1 HKAF COC(=O)c1cc(Br)c2[nH]c(C3(c4ccc(Cl)cc4)CCC3)nc2c1 587074644 BTZXUFIKVSOXNO-UHFFFAOYSA-N 419.706 5.235 0 1 HKAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(Br)c(F)ccc2[nH]1 587075431 DEKSQHQIGSGBBP-UHFFFAOYSA-N 418.653 5.553 0 1 HKAF C[C@@H](c1nc2cc(Br)cc(C(=O)O)c2[nH]1)c1ccccc1C(F)(F)F 587097170 FXGNBLRHWNRLQQ-MRVPVSSYSA-N 413.193 5.194 0 1 HKAF CC(=O)[C@H](c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)c1ccccc1C(=O)O 587100672 DVUNFVSVVSIZBO-QHCPKHFHSA-N 421.452 5.174 0 1 HKAF CC(C)(C)OC(=O)N1CCC[C@@H]1Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104258 FRBQBFBJMIVJIN-QGZVFWFLSA-N 414.505 5.388 0 1 HKAF COc1cc(OC)c(OC)cc1Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107071 NLOSKGLGAILQJJ-UHFFFAOYSA-N 411.457 5.063 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)cc2F)c1 587143732 XWEUVNONEDOKKY-UHFFFAOYSA-N 421.859 5.583 0 1 HKAF Cc1c(C(=O)O)sc2ncc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc12 587208464 RXXTULSYHYDERB-UHFFFAOYSA-N 422.465 5.730 0 1 HKAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(Cl)c(F)cc3[nH]2)c(C2CC2)n1 587229391 GBDBDGYMKQCNES-UHFFFAOYSA-N 416.884 5.320 0 1 HKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 587241795 JPEBBSOYTNNFFG-UHFFFAOYSA-N 420.738 6.021 0 1 HKAF CC(C)(C)[C@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340243 XLINLELQHZGXQT-RCZVLFRGSA-N 408.444 5.971 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](C2CCCCC2)C3)c1 587366424 MEYAWTJQTQYXPG-LJQANCHMSA-N 411.545 7.342 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1C(F)(F)F)O2 587380154 BVVANQYHONTETE-HNNXBMFYSA-N 400.194 5.065 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccccc1-c1ccc(C(=O)O)c(Cl)c1)[C@@H](C2)C3=O 587422164 XBBQYVQSODMGLY-FDDCHVKYSA-N 420.848 5.203 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC1CC1)(c1ccc(Br)cc1)CC2=O 587457811 NRVXDMIUOKXTOS-JOCHJYFZSA-N 415.327 5.768 0 1 HKAF O=C(O)c1ccc(-c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587506089 OWSSVFYSLMPFCX-DEOSSOPVSA-N 416.448 5.776 0 1 HKAF CCOC(=O)C[C@]1(c2ccc(Cl)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587531094 JNQXFQJKJUBVJK-NRFANRHFSA-N 404.915 5.094 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)c1C(F)(F)F 587550371 VCCLWESENABRTR-UZLBHIALSA-N 404.315 5.253 0 1 HKAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1ccc(Cl)cc1 587621369 CEOOMEOVEFNSEW-UHFFFAOYSA-N 403.667 5.021 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(CCC(=O)O)c2c1 587639503 YIDLUFMGPFZSOH-ZDUSSCGKSA-N 400.316 6.128 0 1 HKAF Cc1cc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c2cccc(C(C)C)c2n1 587660575 PVLRBUYOLICVAT-UHFFFAOYSA-N 423.491 6.172 0 1 HKAF Cc1ccc(Br)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587682582 ZWWICUMLXJGBFF-BTDLBPIBSA-N 413.128 5.283 0 1 HKAF CCCCO/C=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587707347 UICZYBBDJIOHOF-WJLVXLOQSA-N 410.249 5.210 0 1 HKAF CCc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587708852 FIKNBJVQMFJWFS-ADLMAVQZSA-N 416.256 5.491 0 1 HKAF CCc1ccc(CC(C)(C)[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587821705 XCJOBALDYISPDA-SZNDQCEHSA-N 404.367 5.995 0 1 HKAF Cc1ccc(-c2csc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2)cc1 587854226 QRDASCJJVYGSSQ-CWTRNNRKSA-N 417.347 5.644 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2cccs2)N1 587857096 ZPNIBWMIHHZZDM-ODXCJYRJSA-N 402.332 5.940 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1csc(C(C)C)c1 587861191 MNWWRQOLPXETHF-UHFFFAOYSA-N 409.338 6.129 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccc(Cl)cc2[nH]1 587864790 LLESXLLSFJWUSR-UHFFFAOYSA-N 406.795 5.487 0 1 HKAF COc1cccc2cc3c(nc12)[C@](C)(c1ccc(SCC(F)(F)F)cc1)NCC3 963046919 LVIVXVSLUHRTLD-NRFANRHFSA-N 418.484 5.307 0 1 HKAF COc1cccc2cc3c(nc12)[C@H](c1ccc2cccc(C(F)(F)F)c2n1)NCC3 963047361 OHDJUQBCCMEEFB-QFIPXVFZSA-N 409.411 5.046 0 1 HKAF Cc1ccc(C[C@]2(C3CC3)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963190075 NVKZRLDOEQCHOP-PZJWPPBQSA-N 423.862 5.114 0 1 HKAF CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(n5cnc6ccccc65)[C@@]4(C)CC[C@@H]32)C1 1857581353 NXXXAZGYVFACII-ZTFSMFBVSA-N 402.582 6.465 0 1 HKAF c1ccc(CSc2cccc(N=c3ccc4nccc(-c5ccncc5)c4[nH]3)c2)cc1 1857750820 RIDFMBYHFGRPDO-UHFFFAOYSA-N 420.541 6.150 0 1 HKAF COc1ccc(CCC(CCc2ccc(OC)cc2)c2ccc(OC)cc2O)cc1 2356307934 FQGYYRITSNMKOK-UHFFFAOYSA-N 406.522 5.767 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@@]1(O)[C@H](O)C3 2356682178 NWTTZHBMXCCOSW-NCCCFHPSSA-N 416.646 5.539 0 1 HKAF CC=C(C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 2356690212 OZNMJHSEUFVTTG-LRZQQTFDSA-N 408.670 7.641 0 1 HKAF CC(C)CC=C[C@H]1C(=O)OC[C@]23CC[C@H]4[C@@H](C=CC5=C[C@@H](O)CC[C@@]54C)[C@@H]2CC[C@H]13 2356743011 ULPXEYSCKDGTPP-GIFZQRBASA-N 410.598 5.458 0 1 HKAF CCCC=C1OC(=O)C2=C[C@H]3CC[C@@]12[C@@H]1C2=C4C(=C(CCC)CC[C@H]4C[C@@H]31)OC2=O 2356776267 VPEHIGFAAWYYPW-SGMBSHELSA-N 406.522 5.517 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C 2356809863 ATUXXZWQMBABQB-ILKVWOQQSA-N 416.646 5.252 0 1 HKAF CC(=CCCC(=CC(=O)O)C(=O)O)CCC=C(C)CC[C@H]1[C@H](C)CCCC1(C)C 2356826417 HXBOSQKHNKUOJW-IRLDBZIGSA-N 404.591 6.778 0 1 HKAF CSCC[C@H](c1nc2ccccc2[nH]1)n1c(-c2ccc(C)cc2)nc2ccccc21 95569784 VGPUGSYHXYEMBG-HSZRJFAPSA-N 412.562 6.231 0 3 HKAF CCOc1ccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)NC2CCCCC2)cc1 773919 HPYHXSHMUXEBEW-UHFFFAOYSA-N 420.509 5.478 0 1 HKAF CC(=O)N(C)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 2038708 VPOYXIYUORUTSW-ZPTOHEHUSA-N 402.667 5.442 0 1 HKAF Clc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NC23CC4CC(CC(C4)C2)C3)n1 5839076 REODSSILSGZFFM-UHFFFAOYSA-N 413.997 5.286 0 1 HKAF COc1ccccc1CNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2 6808476 MUKLUVVWBJNUJD-UHFFFAOYSA-N 401.940 5.613 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3 13546173 PZDUAWZXRQLIQU-XNYUJKQWSA-N 414.718 8.169 0 1 HKAF Cc1cc2ncn(C/C=C3\c4ccccc4COc4ccc(CC(=O)O)cc43)c2cc1C 13727160 KRGDODMQPWYVPR-LSFURLLWSA-N 424.500 5.305 0 1 HKAF Clc1ccc(CN2CCN(c3nc4sccc4n4cccc34)CC2)c(Cl)c1 13755966 MRVXWRYYLBBDQJ-UHFFFAOYSA-N 417.365 5.178 0 1 HKAF Cc1cc(O)c(C)c2c1O[C@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)C=C2 14767649 UGGWLEJOHZBWFT-RZIGYZOXSA-N 414.674 8.612 0 1 HKAF biogenic CC(C)N1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1(C)C 22937979 FDUMSXVQMHLSOY-JTHBVZDNSA-N 400.969 5.860 0 1 HKAF C(=C/c1ccccc1)\CN(C/C=C/c1ccccc1)C1CCN(Cc2ccccc2)CC1 26993717 YZDUJYAFWPBVIC-XOBNHNQQSA-N 422.616 6.380 0 1 HKAF C(=C/c1ccc(-c2cn3cc(/C=C/C4=NCCS4)ccc3n2)cc1)\C1=NCCS1 27435881 PIPMWBLCKNUNAI-LUZURFALSA-N 416.575 5.318 0 1 HKAF C[C@H](CCCO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C 39010723 LPOODSGXYAZRMM-BDHNHABWSA-N 400.647 6.403 0 1 HKAF Fc1cccc(CNC2=N[C@H](c3ccccc3Cl)[C@@H](c3ccccc3Cl)N2)c1 42964052 VNMRGOGENWEFMP-NHCUHLMSSA-N 414.311 5.664 0 1 HKAF O=C(Nc1ccc(NC(=O)c2ccc(F)cc2Cl)c(Cl)c1)c1ccccn1 66078593 IUDNWUABFDZWBF-UHFFFAOYSA-N 404.228 5.032 0 1 HKAF COc1cc2nc(N3CCCCCC3)nc(NCCCc3ccccc3)c2cc1OC 82131885 BZUFCVDBIOIFKK-UHFFFAOYSA-N 420.557 5.072 0 1 HKAF CCCc1ccc(-c2csc(N3CCC[C@H]3C(=O)NCc3ccccc3)n2)cc1 82195905 UGKGZHVOCWQDMO-QFIPXVFZSA-N 405.567 5.048 0 1 HKAF O=c1c(CO)c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)[nH]c2ccccc12 84668821 KUESTBQXMDFDKR-UHFFFAOYSA-N 411.379 5.253 0 1 HKAF COc1ccc(-c2cnc3nc(-c4cccc(NC(=O)c5ccco5)c4)oc3c2)cc1 96914407 GPWPEKQXTJZWIU-UHFFFAOYSA-N 411.417 5.411 0 1 HKAF Clc1ccc(C2=NN(c3ccccc3)[C@H](c3noc(-c4ccccc4)n3)C2)cc1 96914458 HRBJJVCARICPIB-NRFANRHFSA-N 400.869 5.746 0 1 HKAF c1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3cccc(-c4ccncc4)c3)cc2)cc1 100114498 XESCSJCLVYFHTR-WLNZHLEZSA-N 417.556 5.355 0 1 HKAF c1ccc2nc(COc3ccc4c(c3)sc3nnc(-c5ccncc5)n34)ccc2c1 103244709 NUBOEAFHOOPVNW-UHFFFAOYSA-N 409.474 5.133 0 1 HKAF Cc1nc(-c2ccnnc2)n2c1sc1cc(OCc3ccc4ccccc4n3)ccc12 103244727 HDIDBSJREVMLKD-UHFFFAOYSA-N 423.501 5.442 0 1 HKAF C[C@@H]1CC[C@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 118937282 CIBAPVLFORANSS-KRGNGILBSA-N 414.630 6.002 0 1 HKAF endogenous,in-man CCCCCCCCS(=O)(=O)Nc1ccc(-c2cccc(Cl)c2)cc1C(=O)O 143729468 AHHSQDHCFGYPOW-UHFFFAOYSA-N 423.962 5.807 0 1 HKAF O=C(C1CCN(c2ccc(Cl)cn2)CC1)N(CC1CC1)c1ccc(Cl)cc1 169341171 KFYLIVATYVZBDM-UHFFFAOYSA-N 404.341 5.048 0 1 HKAF CC[C@H]1CC(=O)[C@H]2C(=NC(C)=C(C(=O)OC)[C@@H]2c2ccc(-c3ccccc3)cc2)C1 169728322 FHKDTGWGHCMOOQ-HCOMASKESA-N 401.506 5.344 0 1 HKAF O=C(O)CCCCCCCCCCCCCCCNC(=O)Nc1ccc(F)cc1 222084192 LNDNDPVHCBVFLU-UHFFFAOYSA-N 408.558 6.493 0 1 HKAF Cc1ccc(O)cc1CC[C@H]1[C@@H]2CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]2(C)CC[C@H]1O 238760039 MGNWMLGIVDEXBR-RFQAYPMMSA-N 414.674 7.145 0 1 HKAF CC(C)C[C@H](O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C 255249746 NXLPNFCDYLPKSA-IOTOZHFXSA-N 418.662 5.330 0 1 HKAF C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@H]1[C@@H]2C 255277756 WQLVFSAGQJTQCK-KTLPAYGPSA-N 414.630 5.714 0 1 HKAF COc1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F 473123685 MGVBZZRVTXDFSU-UHFFFAOYSA-N 401.416 5.427 0 1 HKAF O=C(c1ccccc1)c1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 473170922 SSZAEGPPXOPUNV-UHFFFAOYSA-N 406.290 5.025 0 1 HKAF CCN(CC)CCCN=c1[nH]c2cc(Nc3ccnc4cc(Cl)ccc34)ccc2o1 474609621 RKLRKZAILXRLCD-UHFFFAOYSA-N 423.948 5.339 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2c1 586884446 IHKYQBNEJJJQJD-ACJLOTCBSA-N 407.233 5.716 0 1 HKAF CCC1CCC([C@@H]2CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)CC1 586990092 IZNBBBXZJLLEAD-DAWZGUTISA-N 411.545 6.473 0 1 HKAF Cc1cc2[nH]c(-c3ccccc3OCc3ccc(Br)cc3)nc2c(C)n1 586998572 MVJNLWALMKDUHX-UHFFFAOYSA-N 408.299 5.583 0 1 HKAF C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(N)ncc2[nH]1 587055280 OFHOSNHBDPOOFJ-LLVKDONJSA-N 415.280 5.779 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1c(F)ccc(Br)c1C3 587104883 WEEXJGMKDXUVGA-UHFFFAOYSA-N 416.249 5.919 0 1 HKAF Cc1c(Br)cc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2c1C 587111833 BJLJNYAOTKHWFN-JTQLQIEISA-N 411.265 6.307 0 1 HKAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)cc2N1 587125266 DEGRZRQBYBQXEJ-INWYIAFRSA-N 423.748 5.406 0 1 HKAF Clc1cc(Cl)c2[nH]c(/C=C/c3cccc(I)c3)nc2c1 587183654 GABYNKUETUWUAT-SNAWJCMRSA-N 415.061 5.645 0 1 HKAF COc1cccc(-c2cc(-c3ccc(F)c(F)c3O)nc3c2oc2ccccc23)c1 587361379 ZDHCVKHGJXKFAW-UHFFFAOYSA-N 403.384 6.307 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](c2ccnn2C)CC3)c1 587362005 AFIJGJNMGRAKTJ-INIZCTEOSA-N 409.489 5.663 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3ccccc3n1Cc1ccccc1Cl)O2 587377957 LEVBAJLDTNDWRS-QFIPXVFZSA-N 417.896 5.335 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(C)cc1Br)[C@@H](C2)C3=O 587412266 IHUISMNOJVQHHK-OYHNWAKOSA-N 424.294 5.046 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2Sc2ccc(C(C)C)cc21 587412824 CMPQIKSPVAOIDJ-VWLOTQADSA-N 401.531 6.074 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(F)c(Br)c1F)CC2=O 587465054 FSUQVSSQHWJRNZ-IBGZPJMESA-N 411.242 5.266 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-n3cnc4ccccc43)cc1)CC2=O 587477945 WNZSCTYKJPJSBX-SANMLTNESA-N 412.489 5.564 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3cccc(C)c3)cc1)CC2=O 587483240 WACBLCWNQYQKBT-HHHXNRCGSA-N 416.517 6.113 0 1 HKAF O=C1C[C@@H](c2ccccc2OCc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587502522 RWIFIXFUGZKEAP-VWLOTQADSA-N 418.920 6.504 0 1 HKAF O=C1C[C@]2(CCC[C@@H]2c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587503961 DJZWURDMPKOLPC-OFNKIYASSA-N 400.440 6.256 0 1 HKAF COc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587524718 MNCJNDDKRUXXHR-MHZLTWQESA-N 414.501 5.492 0 1 HKAF CCCCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587599247 WRWAAUCZJLGHIS-RCZVLFRGSA-N 404.462 5.664 0 1 HKAF Cc1cccc(C(=O)c2c(C(F)(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)c1 587621723 HQISHNVCILGPOS-UHFFFAOYSA-N 422.204 5.365 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(CSc3ccc(F)cc3)c2c1 587641365 IHMMGRGWQPGINZ-INIZCTEOSA-N 407.529 7.919 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cc(OC)ccc3OC)c2c1 587642833 WLJOUQNNRMINBS-LBPRGKRZSA-N 405.416 5.948 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)c(Cl)cc2F)N1 587722310 XYFXMHJHHZXHLO-RBHXEPJQSA-N 421.112 5.832 0 1 HKAF Cc1ccc(C)c(-n2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 587752396 DAPWSKKOSZHZBD-NYHFZMIOSA-N 413.334 5.619 0 1 HKAF Cc1cccc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587753495 JHWPNGFYQSDQLA-FPTDNZKUSA-N 413.334 5.619 0 1 HKAF Cc1nc(-c2ccccc2)[nH]c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587792085 OFNQKXVSUPBCPY-XUSGNXJCSA-N 414.322 5.084 0 1 HKAF CCc1ccc(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587798710 VMHMUDVUSHSRDS-GTJPDFRWSA-N 414.322 5.164 0 1 HKAF Cc1cccc(C2(c3cccc(C)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587816378 XKMASEKJNUJNJM-QGZVFWFLSA-N 424.357 6.031 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2sc(C(C)(C)C)cc2N)N1 587842842 GOTRCCFXLWTPGM-APBUJDDRSA-N 411.384 5.327 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)sc2Cl)N1 587844350 NDRMFZBRPNTPFC-KWKYVRJSSA-N 409.151 5.754 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCCC3)s2)N1 587848676 PIDYTUGIJUTWLP-CWTRNNRKSA-N 409.368 5.264 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3cccs3)n2)N1 587852704 NCTKBIZAJFPAMB-JEOXALJRSA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncnc2sc(CC)cc12 587861219 NPFFXIQVEYVCPG-UHFFFAOYSA-N 419.337 5.812 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2ccco2)cc(C(F)(F)F)n1 587871041 OELLEVHQOSKRTR-UHFFFAOYSA-N 418.350 5.146 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c(O)c2)cc1OC 587927621 TYCDUTVCGYDONM-UHFFFAOYSA-N 415.276 5.927 0 1 HKAF COc1ccc2c(c1)[C@]1(C[C@@H](C)c3c(Br)cccc31)N(C(C)C)CC2 962088304 GAMJFKABCWFBGD-IVZQSRNASA-N 400.360 5.475 0 1 HKAF CCOC(=O)[C@@H]1CC[C@@]2(C(CC)=C1C)c1ccsc1CCN2Cc1cccn1C 962402095 ZFAGOBYJRYLKIX-NTKDMRAZSA-N 412.599 5.040 0 1 HKAF Clc1ccccc1C[C@]1([C@H]2CCCS2)NCCc2cc(-c3ccccc3)ccc21 962669048 RPDHYLJCVFRDMD-FTJBHMTQSA-N 420.021 6.486 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C[C@@H](C)CC(=O)O)(c2ccc(C)cc2C)N1 962950717 SMZWULVWUVDQMD-RYGBOPQRSA-N 404.554 5.454 0 1 HKAF COc1cccc2cc3c(nc12)[C@](c1ccc(C)c2ccccc12)(C(F)(F)F)NCC3 963035538 NIFAAQPSVVRBLM-XMMPIXPASA-N 422.450 5.657 0 1 HKAF CCc1ccc([C@@]2(c3ccc(Cl)cc3)NCCc3c(OC)ccc(Cl)c32)cc1 963269887 LZZYOANRGJHBHK-DEOSSOPVSA-N 412.360 6.002 0 1 HKAF COc1cccc([C@@]2(c3ccc(C)cc3)c3cccc(Br)c3CCN2C)c1 963288480 BTKNAZYHGSXVSF-DEOSSOPVSA-N 422.366 5.546 0 1 HKAF CCC[C@@H](C)N1CCC(N(Cc2ccccc2)C(=O)Nc2cccc(Cl)c2)CC1 1772598546 MYNXIBZEDHDYAQ-LJQANCHMSA-N 413.993 6.027 0 1 HKAF C/C(=C\CC[P@@](=O)(COC(=O)C(C)(C)C)Oc1cccc2ccccc12)CO 1857634272 IIEQXCDFVNSLNO-ZOSGEAEXSA-N 404.443 5.372 0 1 HKAF CC(=CC[C@@H](O)c1ccoc1)CCC=C(C)CCC[C@@H](C)C=C1OC(=O)C(C)=C1O 2356344770 PQUZEETWPHPNIP-DENIHFKCSA-N 414.542 6.455 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356619162 VQABOPQARYUTHF-URKQGNBESA-N 416.646 5.827 0 1 HKAF CC1=C2C[C@@]34CC[C@H](C)[C@@]2(CC1)[C@]3(C)CC1=CCC2=C1[C@]41C=C[C@@]3(CCC[C@]34C[N@@]14)C2 2356649567 QAODPFWMQBRVFP-INZYQZOXSA-N 411.633 6.877 0 1 HKAF C[C@@]1(C(=O)Nc2cccc(Oc3ccccc3)c2)CCN1Cc1cc2ccccc2o1 61903511 GABCPFRVPADPPZ-SANMLTNESA-N 412.489 5.828 0 3 HKAF N[C@@H](Cc1ccc(Cl)cc1)c1csc(Nc2ccc(-c3ccccc3)nn2)n1 61906547 KBEXEGFUBSBHJH-KRWDZBQOSA-N 407.930 5.240 0 3 HKAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 4215710 IIPZTAMXPAQETP-JHVJFLLYSA-N 402.535 5.779 0 1 HKAF COc1cccc(CN(C[C@H](O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 13490899 AEQCWMUYNNFLBM-QFIPXVFZSA-N 417.427 5.417 0 1 HKAF CCc1nc2c(C)cc(C)nc2n1Cc1ccc([C@H](c2ccccc2)[C@H](C)C(=O)O)o1 13756218 PZZNIFLEOJFCJK-JTSKRJEESA-N 417.509 5.104 0 1 HKAF CC[C@H](C)CCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)O 14490973 FMVRIKNURVCXAV-LOSJGSFVSA-N 412.699 8.280 0 1 HKAF biogenic COc1ccc2c(c1CC=C(C)C)O[C@@H]1c3cc(CC=C(C)C)c(O)cc3OC[C@H]21 15203468 OFTVQUQKDYNGED-QFQXNSOFSA-N 406.522 6.028 0 1 HKAF biogenic O=C(CN1CCCC[C@H]1C(=O)Nc1ccc2oc3ccccc3c2c1)c1ccccc1 26745200 ZEQCPIJEUBNPCG-QFIPXVFZSA-N 412.489 5.262 0 1 HKAF O=S(=O)(c1ccccc1)n1ccc2cc(/C=C/c3ccc4ccccc4c3)ccc21 28118426 IONXNKVJTJHEST-ZHACJKMWSA-N 409.510 6.202 0 1 HKAF CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(OC)cc4)c3c2C)cc1 28755514 XVYIFYZSDLFMOP-UHFFFAOYSA-N 402.498 5.497 0 1 HKAF CCN1CN(CC)[C@H](c2cc(Cl)cc(Cl)c2)[C@@H]1c1cc(Cl)cc(Cl)c1 40609677 NAJIOAZQNDXDTB-KDURUIRLSA-N 418.195 6.698 0 1 HKAF O=C(CCc1nc(-c2ccc(F)cc2Cl)no1)Nc1ccc(C(F)(F)F)cc1 40979263 JQBYRVOBEAOVDD-UHFFFAOYSA-N 413.758 5.119 0 1 HKAF C[C@H](Nc1nccc(/C=C/c2c(-c3ccccc3)nc3sccn23)n1)c1ccccc1 40979624 WKBACBJIPAQRKE-HHNLSAEISA-N 423.545 6.196 0 1 HKAF CCCN1CCC(N2CCC[C@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)CC1 45301307 DSMJHVXJRXSNAS-SFHVURJKSA-N 420.523 5.149 0 1 HKAF Cc1[nH]c(CO)c(-c2ccc(Oc3cccc(C(F)(F)F)c3)cc2)c(=O)c1Cl 72178603 QROVUGYNZDSCRP-UHFFFAOYSA-N 409.791 5.307 0 1 HKAF O[C@](c1ccc(Cl)cc1)(c1ccc(C(F)(F)F)cc1)c1cnc2ccccc2c1 72186312 CJFYTSIORJIKLY-QFIPXVFZSA-N 413.826 6.191 0 1 HKAF COc1cc(N[C@H](C)CCCN)c2nccc(C)c2c1Oc1ccc(F)cc1F 73198385 QUFCVHSAEFLIHV-CQSZACIVSA-N 401.457 5.162 0 1 HKAF CCCCCNC(=O)[C@H](CC(C)C)Nc1nc(-c2ccc3ccccc3c2)cs1 82197872 NVOCWRPQHYIELY-NRFANRHFSA-N 409.599 6.096 0 1 HKAF Cc1nc(-c2ccc([C@@H]3N(C)c4ccccc4C(=O)N3c3ccccc3)s2)cs1 95585862 MSOXPHTZRLAVFZ-JOCHJYFZSA-N 417.559 5.975 0 1 HKAF Cc1cc(C)cc(-c2cccc([C@@H]3COc4cc5c(cc4O3)OC[C@H]5CC(=O)O)c2)c1 96269858 KDKFTFZOZCZNAP-NLFFAJNJSA-N 416.473 5.434 0 1 HKAF CCCCCC(=C(c1ccccc1)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 103186460 XIIKZAOMYRHRQB-UHFFFAOYSA-N 404.575 6.630 0 1 HKAF CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(/C=C/Cc3ccccc3)ccc21 103245800 HGUDYLWMIOZRNX-ISBBRVAOSA-N 415.552 6.197 0 1 HKAF CCCCNc1ncc(C(=O)N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccccc2F)n1 105185775 JFSQJLUSRGTJBT-UGJIMAENSA-N 424.564 5.295 0 1 HKAF O=C(CCCCOc1cccc(Br)c1)Nc1ccnc(C(F)(F)F)c1 299871030 XOTDJPZBRPPQKF-UHFFFAOYSA-N 417.225 5.051 0 1 HKAF CCCOc1cc2[nH]c(-c3ccc(C(C)(C)CC)cc3)nc2cc1Br 586882066 SMUXHIHRDPVSAA-UHFFFAOYSA-N 401.348 6.469 0 1 HKAF CCCCOc1cc2nc([C@@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2cc1Br 586889281 MCZQQYWWYOTHNQ-VLIAUNLRSA-N 417.347 5.650 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cccc(SC(F)(F)F)c3)nc3ccc(O)c1c23 586987120 TUFWOIMBZVMDHY-UHFFFAOYSA-N 423.415 6.431 0 1 HKAF Clc1cc(Cl)cc(-c2nc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)cs2)c1 587015619 SLRLUBLPPUWESX-UHFFFAOYSA-N 416.120 6.362 0 1 HKAF O=C(Cc1ccc(Cl)cc1)c1nc2c(Br)cc(C(F)(F)F)cc2[nH]1 587072302 QNWZZFYBCGZXDK-UHFFFAOYSA-N 417.612 5.423 0 1 HKAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)n1 587081006 ZJHPEKZIZVCJTH-LBPRGKRZSA-N 407.930 6.328 0 1 HKAF FC(F)(F)c1cnc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc2c1 587082847 VLZJYZOIGFOKDW-UHFFFAOYSA-N 424.813 6.512 0 1 HKAF FC(Br)(Br)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587086685 GRDDNZUNFYZSSE-UHFFFAOYSA-N 400.045 5.225 0 1 HKAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(Br)cc(Cl)cc2[nH]1 587147443 NJCRTUBWLUTKNW-UHFFFAOYSA-N 423.648 5.325 0 1 HKAF Cc1nc(-c2cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cs2)cs1 587208027 JXZGMDKWXOJADG-UHFFFAOYSA-N 410.523 6.607 0 1 HKAF CC[C@]1(c2c(F)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334606 PBSRGXBUUKCIFF-REWPJTCUSA-N 414.835 5.988 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-c1ccc(C(=O)OC(C)C)cc1)O2 587398101 BMMSJVISDOSJGI-DEOSSOPVSA-N 415.489 5.516 0 1 HKAF COc1cc2c3c(c1)O[C@@](Cc1ccc(F)cc1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587428796 PQLUBUFAJKNWLB-RDPSFJRHSA-N 408.856 5.373 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc3cccc(Cl)c3nc1Cl)CC2=O 587460866 KPGQXZCJOSCJQA-SFHVURJKSA-N 402.277 5.906 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1cccc(O)c1)(c1cc(Cl)ccc1N)CC2=O 587462232 NTWLCZZZVNIZBK-DEOSSOPVSA-N 423.896 5.195 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(c1ccccc1Cl)CC2=O 587463755 YYCLRNLEKQSERO-RUZDIDTESA-N 422.908 5.916 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(F)(F)F)cc(Cl)c1F)CC2=O 587464014 GJESVTUPTQNIBG-MRXNPFEDSA-N 402.771 5.863 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(F)(F)F)cc1Cl)CC2=O 587464248 MHCRZUVPMZWFSP-KRWDZBQOSA-N 400.780 5.603 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCc3ccc(C)cc3)c1)CC2=O 587479206 LZQHBQPRZNGJLU-VWLOTQADSA-N 402.490 5.939 0 1 HKAF CCCc1c(O)ccc2c1OC(CCc1ccccc1)(CCc1ccccc1)CC2=O 587489113 MBDGIZGOUBYRKU-UHFFFAOYSA-N 414.545 6.314 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1cccs1)([C@H](O)c1cccs1)CC2=O 587495381 QPOMGXFFOWCUCR-RTWAWAEBSA-N 400.521 5.062 0 1 HKAF O=C1C[C@](C(=O)c2ccc(F)cc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587506442 SVPQZHFKGXONEP-AREMUKBSSA-N 418.439 5.587 0 1 HKAF O=C(CCC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 587524096 NECIKDGIADDNQX-LJAQVGFWSA-N 424.540 6.479 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]2c1ccc(Cl)cc1 587551823 KHMRHSPRKVQACM-XZOYJPPVSA-N 406.865 5.714 0 1 HKAF Cc1ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)nc2c1 587552137 NUDYBYWKJVNQHE-OFNKIYASSA-N 417.848 5.605 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2c(F)cccc2F)o1 587559792 YZOCHHZJBJGZMX-URXFXBBRSA-N 420.367 5.633 0 1 HKAF C[C@H]1C[C@@H](C)CN([C@@H]2CCCC[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 587583307 ROIXXHASFJYUFN-SDFYQUNZSA-N 421.537 5.013 0 1 HKAF CC(C)(C)c1ccc2c(c1)[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601549 DNDNDZBPIDEQHW-HOFKKMOUSA-N 414.501 5.883 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)s1)C1CCC1 587613698 PSSDXLACQMSOOV-SIKLNZKXSA-N 412.894 5.764 0 1 HKAF CC(C)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587622762 SOQHVIQCUYRDHN-UHFFFAOYSA-N 422.248 6.616 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1cccc(Br)c1 587626664 UOODOXRFIFWBEM-UHFFFAOYSA-N 422.166 6.943 0 1 HKAF CC[C@@]1(c2ccccc2C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587710026 DWVPKPNWIXSNOQ-ZMZPIMSZSA-N 416.256 5.795 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2OC(F)(F)F)N1 587717056 FGFVYWAYSIBKIH-BMLIUANNSA-N 418.228 5.285 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nc3ccccc3n2C(F)F)N1 587719564 QTSUVYHPVZWNFD-APBUJDDRSA-N 424.264 5.131 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccco1 587749788 GBADNRYBZFJEIA-QKVFXAPYSA-N 417.322 5.271 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(OCC(C)C)cc1 587861588 AAVLYEYLSTYQPJ-UHFFFAOYSA-N 418.415 5.301 0 1 HKAF CC1(C)COC(c2cccc(-n3c(OC(C)(C)C)cc(-c4ccccc4)c3O)c2)=N1 587936084 ACTJDVNPXRPELU-UHFFFAOYSA-N 404.510 5.583 0 1 HKAF Cc1cc(-n2c(O)cc(-c3ccc(C(C)C)cc3)c2O)nn1Cc1ccccc1F 587945277 LEVQYTRNNJXEEH-UHFFFAOYSA-N 405.473 5.371 0 1 HKAF CCOC(=O)CCCC[C@@]1(C(C)C)NC2(CC2)Cc2ccc(Br)cc21 961618177 XSGUUELSFYNOGU-NRFANRHFSA-N 408.380 5.102 0 1 HKAF CC(=O)Oc1ccc([C@]2(c3cc(C)cc(C)c3)NCCc3cc(C)c(F)cc32)cc1 962148767 UVIIXWPUXKMHNL-AREMUKBSSA-N 403.497 5.114 0 1 HKAF COc1ccc2c(c1OC)[C@@](c1ccccc1)(c1cncc3ccccc13)N(C)[C@@H](C)C2 962625347 NBYXUFQKPMFSJB-HMILPKGGSA-N 424.544 5.420 0 1 HKAF Fc1ccc(CC[C@@]2(C3CCCCC3)NCCc3cc(-c4ccccc4)ccc32)cc1 962669102 OHPVXFDKOGVOCI-LJAQVGFWSA-N 413.580 7.047 0 1 HKAF COc1cc(Br)ccc1[C@]1(C)c2ccsc2CCN1Cc1ccco1 962701689 DNCOVCNPMHVSPO-HXUWFJFHSA-N 418.356 5.434 0 1 HKAF C[C@@]1(CCC(=O)c2ccccc2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962949256 DXOCIDFGKCPWBF-QFIPXVFZSA-N 417.471 5.235 0 1 HKAF Fc1ccc(C[C@]2(C(F)(F)F)c3ccsc3CCN2Cc2cccnc2)cc1 962997176 KJLOKQVVHOTUAC-HXUWFJFHSA-N 406.448 5.341 0 1 HKAF Cc1ccc2cc([C@@H]3c4ccc(F)cc4C[C@@H]4CCCN43)c(N3CCCCC3)nc2c1 963106965 OIYSDFDJEMOSHM-NVQXNPDNSA-N 415.556 5.783 0 1 HKAF Cc1c(C(=O)OCc2cccc3ccccc23)[nH]c2cccc(OC3CCNCC3)c12 1857537353 MCQXELGSVOTFRC-UHFFFAOYSA-N 414.505 5.117 0 1 HKAF CC(C)C[C@H]1Oc2cc(O)ccc2-c2oc3c4c(cc(O)c3c(=O)c21)OC(C)(C)CC4 1857759821 KBUDRRPKSYYYAG-LJQANCHMSA-N 422.477 5.454 0 1 HKAF O=C(Nc1ccc(F)cc1F)[C@H](NCCc1cccc2ccccc12)c1ccccc1 1857763667 ASVOFPHVGBUDSI-RUZDIDTESA-N 416.471 5.630 0 1 HKAF COc1ccc2nc(-c3ccc(Cl)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nc2c1 1857768620 DATONYFHQPIEGT-UHFFFAOYSA-N 424.909 5.029 0 1 HKAF O=C(Nc1ccc(Cl)c(-c2nnc3c(Cl)cccn23)c1)c1ccccc1Cl 1911571028 GCPNHESBXRMMCX-UHFFFAOYSA-N 417.683 5.609 0 1 HKAF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CCC[C@@H](C)CCC[C@H](C)CCC(=O)O)O2 2356284505 FKTCHXAVPYGOSM-XWXLMPLOSA-N 418.618 6.879 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)C 2356430537 NXJJBCPAGHGVJC-UHFFFAOYSA-N 408.714 10.381 0 1 HKAF COc1cc(OC)c2c(c1-c1c(C)cc3cccc(OC)c3c1O)C[C@H](C)N(C)[C@H]2C 2356563820 NNJPNEIAOPIFMB-HOTGVXAUSA-N 421.537 5.484 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc2c(c1O)C(=O)[C@H](O)[C@H](c1ccccc1)O2 2356661769 OKUXAUZJIPCHNX-DQEYMECFSA-N 408.494 5.010 0 1 HKAF CC(C)=CC[C@@H]1C(C)=CC[C@@H](c2ccc(O)cc2)[C@H]1C(=O)c1c(O)cc(O)cc1O 2356693627 LTYUEHHTNMCSPR-QTEQDKRBSA-N 408.494 5.414 0 1 HKAF COC(=O)C1=C(c2cc3ccccc3s2)C[C@@H]2CC[C@H]1N2C(=O)NC1CCCCC1 12480066 AJGVGNIWSJDEIY-PKOBYXMFSA-N 424.566 5.107 0 3 HKAF C[C@H]1[C@@H]2[C@H](C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@@H](C)CO2 263590870 WQLVFSAGQJTQCK-LYNYJLPSSA-N 414.630 5.714 0 3 HKAF CC(=O)[C@]12CCCC[C@@H]1C[C@@H]1[C@@H]3C[C@H](C)[C@@]4(O)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 4006755 PATZWJFBWJISFP-RUKDNFJHSA-N 402.619 5.126 0 1 HKAF CCCCc1nnc(SC(C)(C)C)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 13825636 RDSUKXNJCGTKDH-UHFFFAOYSA-N 423.582 5.925 0 1 HKAF CC(=O)CCCCCCCCCC[C@@H]1CC[C@H](OC(=O)c2ccccc2)[C@@H](C)N1 14921141 PBWFBFJNCUAIQQ-JRFVFWCSSA-N 401.591 5.843 0 1 HKAF biogenic CCCCN(C(C)=O)[S@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1 25974620 UMHMYZVMDLPJGK-MUUNZHRXSA-N 421.950 5.271 0 1 HKAF COc1ccc(C[C@@H]2CN3C(=NC[C@H]3C3CCCCC3)N2CC2CCC(C)CC2)cc1 27211738 OPNCBMYHRCYEGA-CZAHGJGASA-N 423.645 5.369 0 1 HKAF Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(Cl)c2)n1 28568822 FFHVLUWEDZQYCP-UHFFFAOYSA-N 415.884 5.133 0 1 HKAF COc1ccc(-c2cc(-c3cccc(Cl)c3)nc3c2CCNc2ccccc2-3)cc1 28704105 WWIBLFQTVJMMMM-UHFFFAOYSA-N 412.920 6.713 0 1 HKAF COc1ccc(C)c(N(C)[C@H]2CCCc3nc(-c4c(C)cccc4C)cc(OC)c32)c1 40934482 NQEQEBYWTDYCLN-QHCPKHFHSA-N 416.565 6.205 0 1 HKAF CC(=O)N1CCC[C@@H]1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(F)cc1 42965764 OIZKPYIQKNUEHR-JOCHJYFZSA-N 416.456 5.240 0 1 HKAF Cc1nc2c(c(O)c1Cl)-c1ccc(Oc3cccc(C(F)(F)F)c3)cc1C2=O 45167183 BBVBYELTGXNLRL-UHFFFAOYSA-N 405.759 5.772 0 1 HKAF N=C(N)c1cc2c(O[C@@H](CNCc3ccccc3)c3ccccc3)cccc2s1 45366270 NFJBOMRZPXKWOS-NRFANRHFSA-N 401.535 5.095 0 1 HKAF COc1ccc2c(c1)[C@@H](C)N(c1nc(C(C)(C)c3ccc(F)cc3)nc(C)c1C)CC2 64548810 ZWWUDXJMSXQJHZ-GOSISDBHSA-N 419.544 5.691 0 1 HKAF Clc1ccc(-n2nc3c4c(ncc3c2OCc2cccc(Cl)c2)CCCC4)cc1 66075969 SYVFEOAEJCBCKV-UHFFFAOYSA-N 424.331 6.185 0 1 HKAF C[C@H](NCc1coc(-c2ccc(Br)cc2)n1)c1cccc2ccccc12 72102081 NDPMDZGTBFMVQI-HNNXBMFYSA-N 407.311 6.108 0 1 HKAF C[C@H]1CC[C@@H](C)N1C(=O)CC[C@]1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21 72108898 KAOVBRDISLYFNF-ATLLOTDBSA-N 419.956 5.488 0 1 HKAF CCN(CC)CCCNCc1nccc2c3ccccc3n(Cc3ccc(F)cc3)c12 72117128 YOGLPBGVPHPHLY-UHFFFAOYSA-N 418.560 5.198 0 1 HKAF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCCC2)nc1-c1cccc(C)c1 82146202 GIFPCWDOZQBSPR-UHFFFAOYSA-N 414.553 5.023 0 1 HKAF COCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccccc2)n1 82163342 JJHOXZBJTWJHES-UHFFFAOYSA-N 418.522 5.001 0 1 HKAF CN1CCC[C@@H]1CCn1c(C2CCCCC2)nc2c(NC3CCCCCC3)ncnc21 82190714 XIPQMKNJHIBFDQ-OAQYLSRUSA-N 424.637 5.493 0 1 HKAF CC(C)c1nc(SCc2ccc(-c3ccc(C(=O)O)cc3)cc2)c2ccccc2n1 95601231 JPEWMGPELZLNMY-UHFFFAOYSA-N 414.530 6.411 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118922856 GVAODFIKHWYQPE-ADNBUJSVSA-N 416.646 5.971 0 1 HKAF CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)cc2ccccc12 169336129 XKIPWRKMLKWMLE-AREMUKBSSA-N 410.001 7.096 0 1 HKAF C[C@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccc(Br)cc1 209058834 VTYZEUQSJZUZBP-LBPRGKRZSA-N 409.287 5.266 0 1 HKAF Cc1ccc(C(N)=O)cc1-c1ccc2c(c1)CCCN2C(=O)c1c(F)cccc1Cl 210703891 OZARNVGWZFWDJR-UHFFFAOYSA-N 422.887 5.146 0 1 HKAF CC(C)=CCC/C(C)=C\CC/C(C)=C\CC/C(C)=C\Cc1cc(CC(=O)O)ccc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c1ccc(Br)cc1-c1nc2ccc(CC)cc2[nH]1 586982422 WVYYSKYICNOIAM-UHFFFAOYSA-N 401.348 6.514 0 1 HKAF N[C@@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586984219 ONWLEGMGIXTBNR-LBPRGKRZSA-N 418.644 5.240 0 1 HKAF Cc1cc(Br)cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 586993041 HORJSRDWEQVICC-UHFFFAOYSA-N 414.302 6.493 0 1 HKAF Cc1cc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2cc1Cl 587031238 CERQWFDDROYGSR-UHFFFAOYSA-N 403.935 5.546 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cnc4ccccc4c3[nH]1)N2 587031484 ODXCEQFKJNGILY-DZZSIBQASA-N 421.551 5.238 0 1 HKAF Clc1ccc(-c2cc(-c3nc4ccnc(Br)c4[nH]3)ccc2Cl)cc1 587048108 QUVBFHPZFARWCC-UHFFFAOYSA-N 419.109 6.361 0 1 HKAF CC(C)(C)c1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2n1 587073628 MHLLCYYBCDBPMN-LVZFUZTISA-N 415.968 7.082 0 1 HKAF FC(F)(F)C(F)(F)c1cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2cn1 587074902 FPFOMCIIWVIJAC-UHFFFAOYSA-N 401.766 5.735 0 1 HKAF FC(F)(F)c1ccc(-c2nc3ccc(Br)nc3[nH]2)c(C(F)(F)F)c1 587094811 IGDVMQIDQQFQBD-UHFFFAOYSA-N 410.115 5.425 0 1 HKAF C[C@H](c1nc2cc(Cl)cc(Br)c2[nH]1)c1ccccc1C(F)(F)F 587098026 OTXPPVXANCHORL-QMMMGPOBSA-N 403.629 6.149 0 1 HKAF COC(=O)Oc1ccc(-c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)cc1 587099294 XZWLHNKJDUVTKT-UHFFFAOYSA-N 409.441 5.875 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(Cl)c1 587159144 NIATYOYGMAIVSW-OAHLLOKOSA-N 422.769 5.284 0 1 HKAF C[C@@]1(c2c(F)ccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330219 GAPGMKZFXOIUEX-PGRDOPGGSA-N 418.798 5.737 0 1 HKAF C[C@@]1(c2cc(Cl)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339711 ZHAZRDZCSHYQPW-UNMCSNQZSA-N 400.808 5.598 0 1 HKAF Cc1ccc(C2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 587350372 HRBHPVRECVDPQJ-ZUQPMPHSSA-N 416.492 6.295 0 1 HKAF COc1cccc(-c2c(C)c(-c3ccnc(Cl)c3)nc3c2oc2ccccc23)c1 587360914 TZTWCQAPNCYQHB-UHFFFAOYSA-N 400.865 6.680 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc4c(cc2C3)OCCO4)c1 587366545 SQYWCMQDLSTPDO-UHFFFAOYSA-N 421.452 5.999 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(F)cc3)nc3ccc(Cl)cn13)O2 587384736 NWZNZPIGHGIYKZ-LJQANCHMSA-N 421.859 5.391 0 1 HKAF COc1cc2c3c(c1)O[C@](Cc1ccc(Cl)cc1Cl)(CC(C)C)[C@@H](C2)C3=O 587418448 HPTOZGIYBRLEAS-JTSKRJEESA-N 405.321 5.777 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1OCc1ccc(C)cc1)[C@@H](C2)C3=O 587419799 LWJMSYUHVAGGHE-NBGIEHNGSA-N 420.892 5.725 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(C(C)C)cc4)[nH]c4ccccc14)[C@@H](C2)C3=O 587439007 SZOQIGJCNPGMBX-KMRXNPHXSA-N 423.512 6.456 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](OC(C)C)c1ccccc1)[C@@H](C2)C3=O 587440053 NSFOCGIZANPYDX-WDDWZANVSA-N 414.501 5.504 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCCC(=O)O)(c1ccc(Cl)cc1)CC2=O 587460787 ICTBFTYJXTWBKR-JOCHJYFZSA-N 402.874 5.114 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(C=C(c3ccccc3)Oc3ccc(O)cc31)CC2=O 587492607 RIGMCLNDLLTEEM-AREMUKBSSA-N 414.457 5.345 0 1 HKAF O=C(O)CCC1=COc2ccc(Cl)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587502628 SDWCKVFSULCQOW-XMMPIXPASA-N 424.880 5.221 0 1 HKAF O=C1C[C@](c2cc(Br)ccc2F)(C2CC2)Oc2c1ccc1c2CCCC1 587503540 HKJCLDWBJMBDQF-JOCHJYFZSA-N 415.302 5.738 0 1 HKAF Cc1cc([C@@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F 587506764 PDZXNLCVJIUVOJ-AREMUKBSSA-N 420.911 6.575 0 1 HKAF COC(=O)c1ccc(-c2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2)cc1 587515198 LRZFVFVCMWOSTR-XMMPIXPASA-N 413.473 5.121 0 1 HKAF O=C1C[C@H](c2cn(-c3ccccc3)nc2-c2cccnc2)Oc2c1ccc1c2CCCC1 587516099 QRVAYBZDWJVZIY-RUZDIDTESA-N 421.500 5.520 0 1 HKAF COc1ccc(Oc2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522533 FLIRQSNHADHPTI-RUZDIDTESA-N 400.474 6.073 0 1 HKAF COC(=O)C[C@@]1(c2cccc3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587527147 WHRXIWFIJQBZPZ-AREMUKBSSA-N 400.474 5.142 0 1 HKAF O=C1C[C@](c2ccccc2)([C@H]2CCCC[C@@H]2C(=O)O)Oc2c1ccc1c2CCCC1 587529870 QZDPNBPNZTVZSI-YBXDKENTSA-N 404.506 5.317 0 1 HKAF CC(C)c1ccc([C@@]2(CCCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587529871 RARBCIQRALZQIT-AREMUKBSSA-N 406.522 5.804 0 1 HKAF C[C@@]1(C2CCC(C(F)(F)F)CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557220 QTTSPYHOKPQMLL-DIRTYUSWSA-N 406.400 5.481 0 1 HKAF CC(C)COc1cccc(OCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 587565472 BLPCWHVAAVDXMD-UHFFFAOYSA-N 415.362 5.226 0 1 HKAF Cc1oc(-c2ccccc2)nc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588016 REWSFQUAGNWRNU-NBGIEHNGSA-N 413.429 5.233 0 1 HKAF CC(C)c1ccc([C@@]2(C(C)(C)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587613333 YNXPXQRNJJVUQD-BKMJKUGQSA-N 418.489 5.144 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)N[C@@H](C)c1ccccc1 587625163 ASQVMPTXDIZPNC-JTQLQIEISA-N 414.349 6.005 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCOc3ccc(Cl)cc32)N1 587701580 VBBRGUZRJALQJC-JEOXALJRSA-N 410.714 5.192 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)N1 587711269 JLARMQCSSYVUQJ-ZKANADHPSA-N 422.647 5.884 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)nc2C(F)(F)F)N1 587714405 PVQIVWNYVBMPGR-NXSYQRQQSA-N 423.635 5.279 0 1 HKAF CC(=O)c1cccc(/C=C/[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F 587727718 PCYAGDRWADLZLI-PVDCGZGHSA-N 406.270 5.219 0 1 HKAF CC(C)[C@@]1(CCc2cccc(N)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587747861 SNEQKPILAAXERK-SPLOXXLWSA-N 405.355 5.189 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccccc3)nc2)N1 587773740 RTRWCSHGJNTXGX-ASSNKEHSSA-N 413.290 5.399 0 1 HKAF CCCCCc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587816459 YLKSHLDNKNPTDM-IVZQSRNASA-N 404.367 6.119 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3cccc(O)c3)c2)N1 587833703 OXCOXGMJHVIKRI-MCMMXHMISA-N 412.302 5.584 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(-c3ccccc3)s2)N1 587852195 DZKQKFRDMKRUIO-YUNKPMOVSA-N 417.347 5.509 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(-c2cccs2)nn1 587860800 DGWNYRWJMQNHSO-UHFFFAOYSA-N 417.321 5.763 0 1 HKAF C[C@@H](Cn1nc(C(F)(F)F)cc1C1CC1)c1nc(-c2ccc(F)c(F)c2)cs1 587922744 ZJYIIDCKUISRTE-JTQLQIEISA-N 413.415 5.985 0 1 HKAF CCc1ccccc1-n1ccc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)c1 961318336 GISRGGWIPNENGL-JOCHJYFZSA-N 407.355 5.570 0 1 HKAF CCCC[C@@]1(CCCCCCC(=O)O)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962732258 YRSZLULZDMGNRX-NQIIRXRSSA-N 413.480 5.143 0 1 HKAF Cc1cccc(C)c1-c1cccc([C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962760195 DMCYEJBVPSGIQK-GMAHTHKFSA-N 409.451 5.706 0 1 HKAF CCCC[C@]1(c2cccs2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962962783 VABWHCISQODKQW-NRFANRHFSA-N 409.517 5.852 0 1 HKAF Fc1cccc2c1[C@](c1ccc(Br)cc1)([C@@H]1CCCO1)N1CCC[C@H]1C2 963117004 YKLAXALZJINEOB-VCOUNFBDSA-N 416.334 5.031 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(COc1ccccc1)c1ccc(Cl)cc1 963257568 KUCSKTZOAXGORZ-FNZWTVRRSA-N 405.969 6.319 0 1 HKAF O[C@H](c1ccc(-c2cc(Nc3nccc(C(F)(F)F)n3)ccc2F)cc1)C(F)F 1772629478 SJIGZEFPHXWXBY-MRXNPFEDSA-N 413.321 5.344 0 1 HKAF Cc1cc(C(=O)Nc2ccc(C(=O)O)cc2)n(Cc2csc(C3CCCCC3)n2)c1 1857574504 PJHOCNCEKHEOID-UHFFFAOYSA-N 423.538 5.300 0 1 HKAF CCOC(=O)C[C@@H]1Cc2ccccc2C2(CCC(NCc3ccc(C)cc3C)CC2)O1 1857629811 JRRTZJFVPFHUFV-IDZWTHILSA-N 421.581 5.126 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC=C2C3=C(CC[C@@]21C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3 2356313056 OGQJUYXFIOFTMA-WKQCCVGFSA-N 412.702 8.089 0 1 HKAF CC(C)=CCCC(C)=CCCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2 2356405037 DYDXQMQVVSSWFJ-QHCPKHFHSA-N 422.521 6.135 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC(C)(C)[C@@H]2CC=C(C)[C@H](CC[C@H](C)CC(=O)O)[C@]2(C)C1 2356575199 FIDMJZXGMPOOHA-HZORQHOUSA-N 404.591 6.164 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CCC2=C3[C@@H](CC[C@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 2356623076 AVFWODJEHWOSGS-FTQHMRSISA-N 400.647 6.280 0 1 HKAF O=C(O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCCCCCc4ccc(O)cc4)[C@@H]4C=C[C@@H]1[C@@H]2[C@H]43 2356673749 OMHJQGZJZUFMMT-FLPAUWQGSA-N 406.566 5.846 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CC[C@]1(C)C2=CCCC(C)(C)[C@@H]2CC[C@H]1C 2356699584 BOUHSOCEHRQJNM-KYTVRQNUSA-N 423.649 5.798 0 1 HKAF Cc1cc(Nc2ccc(OC(F)F)cc2)cc(=O)n1-c1ccc(OC(F)F)cc1 199264905 OLOXCMVKGHOITQ-UHFFFAOYSA-N 408.351 5.092 0 3 HKAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(C)cc2)C2=C(O)CC(C)(C)CC2=N1 848022 KNZHASCMZKMZCR-PGRDOPGGSA-N 409.526 5.162 0 1 HKAF C[C@H](COc1ccccc1)OC(=S)N(C(=O)Oc1ccccc1)c1ccccc1 3648384 UFDCXAQJBAIQSN-GOSISDBHSA-N 407.491 5.461 0 1 HKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)O[C@@](C)(CC)[C@@H]1CC[C@@H](CO)C[C@@H]21 13781102 XSWSALXKDAAJCQ-STLTWMRASA-N 402.619 6.694 0 1 HKAF C[C@@H]1C(=O)c2c(n(O)c3ccc(Cl)cc3c2=O)C[C@H]1c1ccc(C(F)(F)F)cc1 27089453 QLVIVHXZZLRTME-IINYFYTJSA-N 421.802 5.070 0 1 HKAF Clc1nnc(Nc2cc(CN3CCCC3)cc(CN3CCCC3)c2)c2ccccc12 27881287 DLJVMMRHBUUNQB-UHFFFAOYSA-N 421.976 5.218 0 1 HKAF CC/C(=C(/c1ccc(Br)cc1)c1ccc(OCCN)cc1)c1ccccc1 28871556 SJOQMUOTHCJJBK-WCWDXBQESA-N 422.366 6.156 0 1 HKAF CCN(CC)CCCN(CC)CCCCCNc1ccnc2cc(Cl)ccc12 29053770 VOEWMWYPTQHLHF-UHFFFAOYSA-N 405.030 5.524 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)n1ccc2ccccc21 36188604 ZKJLGJLBCWOCRC-HLFFJUOSSA-N 416.565 5.195 0 1 HKAF CC1(C)CC(c2cc(-c3ccc4cc(C(=O)O)ccc4c3)ccc2O)CC(C)(C)C1 40391192 YTQGGDYHWAJRPG-UHFFFAOYSA-N 402.534 7.231 0 1 HKAF C[C@H](Oc1cc(NC(=O)c2ccccc2)cnc1N)c1c(Cl)ccc(F)c1Cl 72183336 VMYRSZYEJHEZMA-NSHDSACASA-N 420.271 5.502 0 1 HKAF O=C(COc1ccccc1Br)c1ccc(Oc2ccccc2Cl)nc1 73169163 PPHFFFRLYQQCMY-UHFFFAOYSA-N 418.674 5.552 0 1 HKAF CC[C@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N(CC(C)C)CC(C)C)n1 82067056 OVJAGXFRDGOQJL-KRWDZBQOSA-N 401.555 5.001 0 1 HKAF C[C@H]1CCCC[C@H]1Nc1ncc(-c2nc3ccccc3s2)c(-c2ccccc2F)n1 82175222 OQNPKBKEBSVSMF-HNAYVOBHSA-N 418.541 6.550 0 1 HKAF Cn1cc(CC(=O)O)c2ccc(OCCCn3c4ccccc4c4ccccc43)cc21 95596956 PTQKOGUISNGHRB-UHFFFAOYSA-N 412.489 5.382 0 1 HKAF OC1(c2cccc(Cl)c2Cl)C[C@H]2CC[C@H](C1)N2Cc1coc2ccccc12 101185381 GMEKBIQFYDAEOK-HZPDHXFCSA-N 402.321 5.754 0 1 HKAF CC1CCN(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)CC1 141044246 IGAISABLHMWIIU-UHFFFAOYSA-N 406.960 5.037 0 1 HKAF S=C(OCc1ccccc1)S[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 169322125 BOODXJCYVMXGDM-GOSISDBHSA-N 423.390 6.166 0 1 HKAF Clc1ccc([C@@H]2C[C@@H]3CC[C@@H](S3)[C@@H]2c2cc(-c3ccccc3)no2)cc1Cl 169335237 KWPJGSRDVFKINU-FRMGNDQPSA-N 416.373 7.184 0 1 HKAF CCO[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cccc3C)c2)nc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c1ccc(N2CCN(CCCOc3ccc(-c4nc5ccccc5o4)cc3)CC2)cc1 473155194 QBIQXEYXJORJLM-UHFFFAOYSA-N 413.521 5.086 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3c(F)cnc(Br)c3[nH]2)c1 586878503 IYCYSZFHYMIJFA-UHFFFAOYSA-N 424.273 5.374 0 1 HKAF Oc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2)cc1 586899003 QAIKJQITXCQTJE-UHFFFAOYSA-N 422.328 6.640 0 1 HKAF Cc1cc(C)c2[nH]c(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)nc2c1 586967907 IOSNFARVFVMNJQ-UHFFFAOYSA-N 424.957 5.491 0 1 HKAF CC(C)CCOc1ccc(Br)cc1-c1nc2cc(C(=O)O)c(F)cc2[nH]1 586981230 FVZKKYLFBOKPTP-UHFFFAOYSA-N 421.266 5.255 0 1 HKAF CCOP(=O)(Cc1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O)OCC 586993434 HWIMKKCBQYUUJO-UHFFFAOYSA-N 411.394 5.226 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@@H](c1ccc(Cl)cc1)CCCC4)-c1ccccc1C2=O 586994266 WYFJOVOVTQMFMT-LJQANCHMSA-N 423.943 7.266 0 1 HKAF Cc1nc(-c2ccncc2)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586994478 UKMMMXQJWXQFFE-UHFFFAOYSA-N 421.481 5.646 0 1 HKAF CC(C)(C)c1cccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 587012620 ZLVZOMHZCAMKKE-UHFFFAOYSA-N 418.587 7.627 0 1 HKAF CC(C)CCOc1cc2nc(-c3cnc(Cl)s3)[nH]c2cc1Br 587023446 QBDYZUSYSDMLQL-UHFFFAOYSA-N 400.729 5.527 0 1 HKAF CC(C)(C)c1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2c1 587032967 WPEMUFCQYRQTJD-UHFFFAOYSA-N 400.345 6.087 0 1 HKAF c1ccc2sc(-c3ccc4nc(C[C@H]5OCCc6ccsc65)[nH]c4c3)nc2c1 587035220 NWLADHDGEHYQDJ-GOSISDBHSA-N 403.532 5.758 0 1 HKAF Fc1cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c(F)c1F 587071025 LANONTZTBMDRGZ-RMKNXTFCSA-N 414.814 6.383 0 1 HKAF CCS(=O)(=O)c1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587102053 MFPPIXHYQAKWSF-UHFFFAOYSA-N 413.498 5.215 0 1 HKAF O=C(O)c1ccc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)ccc2F)cc1F 587138435 IQFMYABPQGNLHH-UHFFFAOYSA-N 419.214 6.180 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C(=O)c5nc6cccc7c6c(c5C[C@]34C)CC7)[C@@H]1CCC2=O 587215762 UQJGGKPASUUTLV-MFWZZJGWSA-N 413.561 5.500 0 1 HKAF CSc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F 587330842 IOBJDNRVVLAHEA-GMAHTHKFSA-N 412.457 5.667 0 1 HKAF CC1(C)[C@H]2CC[C@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@@H]2N=O 587336289 MOJZFOLEZNOSOS-SEADLJTASA-N 409.457 5.220 0 1 HKAF CN(C)/C=C/[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337478 RRGYDCAQFAFJRT-LOKBFVEHSA-N 421.443 5.000 0 1 HKAF CC(C)(C)[C@]1(CCC2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353503 LBWXLEQBARJGDM-ZEQKJWHPSA-N 410.529 6.646 0 1 HKAF CCC[C@@H](C(=O)OCC)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587361892 DXOIQDVQWUXJMS-GOSISDBHSA-N 403.478 6.103 0 1 HKAF CCOC(=O)[C@H]1CCCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587362178 FZLMGFBNWWSTKK-SFHVURJKSA-N 401.462 5.640 0 1 HKAF COc1cccc(-c2cc(-c3cc4nc(C)ccc4o3)nc3c2oc2ccccc23)c1 587363620 RMNDLUGIKRYNCT-UHFFFAOYSA-N 406.441 6.773 0 1 HKAF C[C@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccsc2S1 587372129 HREXBOCUHLWYNN-HIDBYJOQSA-N 412.507 5.732 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)cc(OC)c(OC)c1Cl)CC2=O 587460482 NAFZMIBUMMPUSO-HNNXBMFYSA-N 411.281 5.375 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc3c(c1)CCCC3)CC2=O 587484566 SEBREVNBMZNPMT-SANMLTNESA-N 422.521 5.037 0 1 HKAF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 587503484 OHRBBMQANQFZDK-OAQYLSRUSA-N 401.300 5.217 0 1 HKAF C[C@]1(c2ccc(Cc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603840 RWJBGYRXSCSYAP-LBNVMWSVSA-N 422.480 5.860 0 1 HKAF CC(C)c1c(Cc2cccc(Cl)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626672 UWYLVNQKZOLTIS-UHFFFAOYSA-N 419.796 7.573 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(Sc3ncc(CO)n3C)c2c1 587643239 SSKMDFWCRPWXNJ-CQSZACIVSA-N 409.530 5.865 0 1 HKAF CCOC(=O)c1c([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2ccc([C@H](C)CC)cc12 587643633 VTGOHDDIHWTMGJ-WBVHZDCISA-N 414.546 5.583 0 1 HKAF Cc1ccc(Br)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587682584 ZWWICUMLXJGBFF-DYZYQPBXSA-N 413.128 5.283 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)c(F)c2)N1 587709759 CLXKQJRCUYPBMF-VVVCHXIZSA-N 420.219 5.544 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2cccc(C(F)(F)F)c2)N1 587710235 CNHSKNWEPDUXIR-WKELKGJPSA-N 414.240 5.896 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cccc(F)c2)N1 587728577 FKLSJSXWUAPGKC-FKIZINRSSA-N 403.270 5.142 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cccs2)N1 587731576 HGMAOIBCIALRIZ-ODXCJYRJSA-N 420.322 5.615 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(F)cc2)N1 587733485 LQWOYLLQVYFGSG-RCDICMHDSA-N 414.293 5.553 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(F)c3)cc2)N1 587734722 VENRCHNCNWGTPR-MCMMXHMISA-N 414.293 6.018 0 1 HKAF Fc1cccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 587781816 DBXVKTLIXYAZEK-UHFFFAOYSA-N 408.476 6.539 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C)Cc2ccc(C(C)(C)C)cc2)N1 587819307 LQUJFSWZYGXDCE-HLFMIMNKSA-N 418.394 6.340 0 1 HKAF Cc1ccc(-c2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)o1 587828219 MXRXLESASSYOGI-LAJNKCICSA-N 400.291 5.780 0 1 HKAF COc1cccc2cc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)oc12 587829285 QAILCZDNODBMIS-BIBXISHDSA-N 404.279 5.141 0 1 HKAF CC[C@@]1(c2ccc3c(c2)CCCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 587836063 RHWOVFJPYZXHFX-ZSEKCTLFSA-N 404.323 5.101 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3cccs3)n2)N1 587852404 KTNMHVDPIHBTHB-JDNHERCYSA-N 409.349 5.397 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2c(s1)CCC2 587860807 DTMZPFCLVYDMHK-UHFFFAOYSA-N 407.322 5.494 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cccc(F)c2[nH]1 587960145 OEYOTMYZYLAKQO-RCHUDCCISA-N 420.616 8.556 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cccc(O)c2[nH]1 587962452 XSDUVTBJEKIKGM-RCHUDCCISA-N 418.625 8.123 0 1 HKAF CC(C)(C)[C@]1(c2ccccc2C(F)(F)F)NCCc2cc(-c3ccccc3)ccc21 962666569 KKXVBKTUWLZZQA-VWLOTQADSA-N 409.495 6.808 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)c1ccccc1O[C@@H]2c1ccc(O)cc1 962946741 AMAMRSVAPQSDLA-WOGPQZSKSA-N 424.500 5.010 0 1 HKAF Fc1ccc([C@@]2(C[C@@H]3CCCO3)c3ccsc3CCN2Cc2cccnc2)cc1 963000819 XJFDCQDREKTZPC-URXFXBBRSA-N 408.542 5.153 0 1 HKAF Cc1ccnc2c1CCN[C@@]2(c1ccc(C(F)(F)F)cc1)c1cnc2ccccc2c1 963076945 UTUVKQRUSXMXCV-DEOSSOPVSA-N 419.450 5.395 0 1 HKAF CCCCNCC(=O)Nc1ccc2c(ccn2Cc2ccc(C(F)(F)F)cc2)c1 1857565840 WOIGLNUDYIJARX-UHFFFAOYSA-N 403.448 5.037 0 1 HKAF C[C@H](C[C@H]1CCN(C)C1=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857589200 DKYFGEOHRZFPOU-KQOPCUSDSA-N 413.646 5.431 0 1 HKAF Cc1nn2c(=O)cc(-c3cccc(-c4ccncc4)c3)[nH]c2c1-c1ccc(Cl)cc1 1857593315 ZQTIWJSDIDKVDS-UHFFFAOYSA-N 412.880 5.380 0 1 HKAF Fc1ccc(Cn2c(=NC3CCN(CC4CCCCC4)CC3)[nH]c3ccccc32)cc1 1857759794 CAWUHMLPUQLEHX-UHFFFAOYSA-N 420.576 5.102 0 1 HKAF CCCC1CCC2(CC1)SCC(=O)N2NC(=O)c1[nH]c2ccc(Cl)cc2c1C 1911580868 NAJUFCOPJGILEH-UHFFFAOYSA-N 419.978 5.037 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(C=Cc4ccccc4)=CC[C@@H]32)C1 2356471918 FLDVEKQSXXBPDV-BMGWUDNWSA-N 418.621 7.211 0 1 HKAF CC=C(C)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)O[C@@](C)(CC(=O)O)CC[C@@H]12 2356515072 ZKBZRVVQDYSKMH-JIHLVFODSA-N 420.590 5.521 0 1 HKAF COC(=O)C1=CC2=CC[C@H]3[C@@H]4CC[C@@H](C(=O)c5ccccc5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 2356574455 AGWLVIYLIXLESA-YPZLOKHQSA-N 418.577 6.158 0 1 HKAF C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)Cc1ccccc1 13560795 SRRJVOMFCQWCTJ-AFESJLNVSA-N 402.513 5.361 0 1 HKAF CCCCC1=NC(=O)C2(CCCC2)N1Cc1ccc(-c2ccccc2C(=O)O)cc1 13833597 PHWMNRPJGUQVGL-UHFFFAOYSA-N 404.510 5.296 0 1 HKAF C[C@@H]1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(F)cc2Cl)CC1 13860177 DTUDHTHALDQUOS-MRXNPFEDSA-N 400.925 5.059 0 1 HKAF Cc1cccc(-c2ccc3c(c2)CSc2c-3nc3ccc(F)cc3c2C(=O)O)c1 26840621 WFQIEQWJXQLXSS-UHFFFAOYSA-N 401.462 6.320 0 1 HKAF FC(F)C(F)(F)Sc1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccccc2)[nH]1 28220173 ULQKAYGBPALSRH-UHFFFAOYSA-N 421.246 7.001 0 1 HKAF Cc1ccc(-c2cc(-c3ccc(O)cc3)nc(N3CCN(c4ccccc4)CC3)n2)cc1 28527431 RHXUYNYGVHICCW-UHFFFAOYSA-N 422.532 5.151 0 1 HKAF Nc1cccc(Cn2c(-c3ccccc3)ccc2-c2ccc(C(=O)NC3CCC3)cc2)n1 35901814 AQRMTQRMYHBJHU-UHFFFAOYSA-N 422.532 5.130 0 1 HKAF CC(C)(Cc1ccccc1)[C@H]1OC[C@H](C/C=C\CCC(=O)O)[C@H](c2cccnc2)O1 36242576 XYUJBPXTBCBGMX-DNEXJIONSA-N 409.526 5.192 0 1 HKAF C[C@@H](OCC1(c2ccccc2)CC(N)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 36311268 NQQVDBGEUDENFZ-XYJCDUHRSA-N 417.393 5.861 0 1 HKAF NC(=S)Nc1cccc(OCCCCCOc2ccccc2-c2ccccc2)c1 40955517 PDFPWAJGZSYAQQ-UHFFFAOYSA-N 406.551 5.637 0 1 HKAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)[C@@H](N)C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 45245595 LMHKDOXVMXUVGN-CSQJCZQBSA-N 417.634 5.129 0 1 HKAF Cc1ccc(C2=NO[C@@H](COCc3nnc(-c4ccc(Cl)cc4Cl)o3)C2)cc1 45286616 FPMRBRGJARWHCS-OAHLLOKOSA-N 418.280 5.062 0 1 HKAF CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O 59789232 FGKQZAUZOBFLBY-BXYNVXOPSA-N 418.662 5.618 0 1 HKAF in-vitro CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc(F)cc1 82141545 HBMJBJNTHKDNCG-UHFFFAOYSA-N 412.553 5.027 0 1 HKAF CN(C(=O)c1cnc(NCC2CCCCC2)nc1-c1ccccc1F)C1CCCCC1 82151373 UAYZRBQACZRROZ-UHFFFAOYSA-N 424.564 5.680 0 1 HKAF Fc1cccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3ccco3)n2)c1 82166057 WUOGKELJUYESQR-UHFFFAOYSA-N 416.481 5.807 0 1 HKAF CC[C@@H](C)Cn1c(CCc2ccccc2)nc2c(NCc3ccccc3C)ncnc21 82180387 IXUWFLJHWGNERS-LJQANCHMSA-N 413.569 5.578 0 1 HKAF COc1cc(OC)c2c(c1-c1ccc(OC)c3c(OC)cccc13)C[C@H](C)N(C)[C@@H]2C 95486019 JTWIKSOWCMKKAL-JKSUJKDBSA-N 421.537 5.479 0 1 HKAF biogenic,in-vitro C[C@@H](c1ccccc1)[C@H](O)/C=C/[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCC(C)(C)C(=O)O 100801917 IXLKYYJMNDNNKA-ZKBXYBNASA-N 412.570 5.338 0 1 HKAF Brc1ccc(C2=NO[C@@H](c3ccc(OCc4ccccc4)cc3)C2)cc1 103293308 LHTJEPDGCHPGPJ-JOCHJYFZSA-N 408.295 5.894 0 1 HKAF Cc1cccc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N2CCCC2)c1 105173954 NIXYQFLWAAPVBG-UDDWMFPDSA-N 418.585 5.171 0 1 HKAF C/C=C(/CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118937147 ARTLJRSXUMKHFS-JMKOJETHSA-N 412.702 8.233 0 1 HKAF endogenous,in-man Cc1cc(Oc2ccc(F)cc2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1 149156754 GKDUQUYBQGBCIK-UHFFFAOYSA-N 419.481 6.006 0 1 HKAF O=C(Nc1cc(Cl)cc(Cl)c1)NC1CCN(C/C2=C\CCCCCC2)CC1 169363035 MWEGETXRJZIQJZ-SOFYXZRVSA-N 410.389 5.860 0 1 HKAF CN[C@H]1CCC[C@@H](n2cc(-c3ccc4c(c3)CC[C@@H]4N=O)c(-c3ccncc3)n2)C1 169686141 NNFRBCFFCSKCFE-MZKRTTBSSA-N 401.514 5.069 0 1 HKAF C[C@H]1C[C@H]1c1cc(NC(=O)Nc2ccccc2Br)n(-c2ccccc2)n1 204748992 XJWFYCMGHYJLAU-DZGCQCFKSA-N 411.303 5.402 0 1 HKAF CC(C)CNC(=O)/C=C/C=C/CCCCCC/C=C/CCc1ccc2c(c1)OCO2 238772588 HWFAZYWAXLPNDY-YHMCBUOZSA-N 411.586 6.129 0 1 HKAF Cc1ccccc1-c1nc(CN2CCC[C@H](C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)C2)c(C)o1 250999026 VUWRBUAIYNWXQK-QYAKYFNYSA-N 423.601 5.111 0 1 HKAF C[C@H](CCC(=O)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C 255264397 SFUNNIZAWKFFIO-YDSGWLKVSA-N 416.646 6.287 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(C(=O)N(C)C)ccc4[nH]3)cc2)CC1 586880520 LXFOHJONBPNCMB-WGSAOQKQSA-N 403.570 6.396 0 1 HKAF CC(C)COc1cc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c2cc1Br 586906758 QASMIJWTGPFXOJ-RQZCQDPDSA-N 413.271 5.029 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c(-c3nc(Br)ccc3Cl)nc2c1 587004898 CDZLOPDRGFDABV-UHFFFAOYSA-N 411.008 5.713 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(C3(c4ccc(Cl)cc4)CCC3)nc2c1 587076393 LQWAPAMGJYNAGU-UHFFFAOYSA-N 418.768 6.724 0 1 HKAF CCOC(=O)COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587095909 DACQCGRFNQYPLB-UHFFFAOYSA-N 423.468 5.364 0 1 HKAF CCc1c([C@@H](C)NC(=O)OC(C)(C)C)nc2cccc3c2c1-c1ccccc1C3=O 587104729 VKRFBNNXVOOFMM-CQSZACIVSA-N 402.494 5.594 0 1 HKAF C[C@@H](Oc1ccc(F)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 587168299 FCUUJWDPNYDZQB-MRVPVSSYSA-N 414.072 5.367 0 1 HKAF COc1c(C)cc(C)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352902 PMSCYXGWVXHVLB-DHLKQENFSA-N 406.453 5.431 0 1 HKAF COc1cccc(-c2cc(CC(=O)Nc3ccccc3)nc3c2oc2ccccc23)c1 587362264 GGQRYDHCBIRGCT-UHFFFAOYSA-N 408.457 5.838 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(C(F)(F)F)ccc1F)O2 587380162 BWUXTCPJBLGIAJ-JOCHJYFZSA-N 415.386 5.644 0 1 HKAF Cc1ccc(C(=O)[C@@H](C)Oc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 587401063 PVBIOYXYUNYHMB-OSPHWJPCSA-N 415.489 5.242 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(F)(F)F)c(Cl)c1)CC2=O 587464916 ZAQGPPOXRWRXCJ-QGZVFWFLSA-N 400.780 5.603 0 1 HKAF CC(C)C[C@@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599930 IZXUYBBWKBBMPS-ZEQKJWHPSA-N 402.490 5.772 0 1 HKAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc12 587602120 WIWDENWXEYAHLC-OZXSUGGESA-N 412.441 5.431 0 1 HKAF Cc1cc(Br)sc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612693 KOGXGXKPOMKDRC-QAPCUYQASA-N 417.280 5.228 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc(F)c(Cl)c2F)N1 587719381 LEGUKPOEYSZAMA-MUCOVADDSA-N 408.620 5.283 0 1 HKAF CC(C)[C@@]1(c2cccc(Cl)c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587725927 SXMHLYDNXMEMBM-WYRIXSBYSA-N 414.721 5.815 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccc(F)cc3)s2)N1 587736763 UETDXGJELAPRSZ-MLCYQJTMSA-N 421.310 5.474 0 1 HKAF CC(C)Oc1cc2nc(COC/C=C\c3ccccc3)[nH]c2cc1Br 587780884 KYPZNKHGACWASD-TWGQIWQCSA-N 401.304 5.343 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(Br)c(C)nc4[nH]3)c2)cc1O 587786685 OPHYEXIVSAQVBN-UHFFFAOYSA-N 410.271 5.077 0 1 HKAF Cc1cc(C)c2[nH]c3c(c2c1)CC[C@]31N[C@H](C)Cc2ccc(F)c(Br)c21 587803332 PDJRWHJPXPVURS-MCMMXHMISA-N 413.334 5.410 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccccc1-n1cccc1 587863169 SRXWDMUFEUEVDX-UHFFFAOYSA-N 411.383 5.057 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc2ccccc2n1 587865127 VPQOWLXCXPURGH-UHFFFAOYSA-N 411.383 5.204 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)C(c1ccccc1)c1ccccc1 587870370 GNWQDKDBEZCYAH-UHFFFAOYSA-N 400.453 5.560 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c2)cc1 587934848 GQPWRKVFTLNQPQ-UHFFFAOYSA-N 415.237 5.946 0 1 HKAF COc1ccccc1-c1cc(O)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1O 587944498 DCBMRIBHEGQJPP-GOSISDBHSA-N 407.441 5.529 0 1 HKAF CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1[C@H](COc1cc(F)cc(F)c1)N=O 587945380 NUDWIZBVCAUTPG-LJQANCHMSA-N 416.424 5.660 0 1 HKAF CCS(=O)(=O)c1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 587949867 LVNIUNZBHPVGGB-NTCAYCPXSA-N 404.491 5.319 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cccc(C)c2[nH]1 587959463 MCHYUUWKMQLWIX-UKFPHXRLSA-N 416.653 8.726 0 1 HKAF C[C@]1(c2ncc(-c3ccccc3)[nH]2)Cc2c([nH]c3ccccc23)[C@H](C2CCOCC2)N1 653742699 VMVCWWJIBFEZGN-JYFHCDHNSA-N 412.537 5.087 0 1 HKAF Fc1cc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)ccc1OC(F)F 962635239 HUGOUNYLSABNBS-GBXCKJPGSA-N 424.466 5.263 0 1 HKAF COc1cc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)ccc1C(F)F 962646864 VGWYTHPJRULXOB-SQJMNOBHSA-N 420.503 5.469 0 1 HKAF FC(F)(F)c1ccc([C@@H]2CCCC[C@@]23NCCc2cc(-c4ccccc4)ccc23)cc1 962663965 FJNYOIQZWRTAAF-AZGAKELHSA-N 421.506 7.071 0 1 HKAF CC(C)(C)[C@]1(c2ccc(Cl)cc2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962985084 AUIBAHYCELTFTB-FOIQADDNSA-N 414.279 5.160 0 1 HKAF Cc1ccnc2c1CCN[C@]21CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 963065352 DCTHWZMXQDLJQH-NKYKEBGXSA-N 406.614 5.055 0 1 HKAF C[C@@]1(c2cccc(-c3cc(C(=O)O)ccc3F)c2)c2c(F)cccc2C[C@H]2CCCN21 963118911 ZYGFROHXLSBIRI-FQRUVTKNSA-N 419.471 5.614 0 1 HKAF Cc1onc(-c2ccc(F)cc2)c1[C@H]1c2cccc(Br)c2CCN1C 963271893 WYBIUNJPYYAFMR-HXUWFJFHSA-N 401.279 5.129 0 1 HKAF CC1(C)CC([C@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)CC(C)(C)O1 963817513 OAQPEOVBYUEOOX-XMMPIXPASA-N 418.581 5.918 0 1 HKAF CCC(=O)N1CCC[C@]2(C)[C@H]3CC[C@]4(C)C(n5ccnc5)=CC[C@H]4[C@]3(C)CC[C@H]2C1 1772640055 PMOAADLITLUSTN-MZOJKCAESA-N 409.618 5.615 0 1 HKAF CCOc1cc(CNc2ccccn2)ccc1Oc1ccnc2cc(Cl)ccc12 1857577403 DGAUYWMGGCJBPK-UHFFFAOYSA-N 405.885 6.086 0 1 HKAF O[C@@H]1CN(CC[C@H](F)Cc2ccccc2)CCc2cc(OCc3ccccc3)ccc21 1857611493 JWHMTILOEMGBNO-RPLLCQBOSA-N 419.540 5.128 0 1 HKAF O=C(Cc1ccccc1Cl)Nc1ccccc1-c1cccc2c1[nH]c1ccccc12 1857769431 HYJMOXNNJDYCHN-UHFFFAOYSA-N 410.904 6.823 0 1 HKAF CC=C(C)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CC[C@H](C)CCO)[C@@](C)(O)CC[C@@H]21 2356441742 CSXQRUZQGRCJDJ-BKOOZRCMSA-N 408.623 5.268 0 1 HKAF CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H]4CC=C5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]3(C)[C@H]12 2356567339 PZTLWJIROQBMKK-YMCVSKJCSA-N 424.713 7.945 0 1 HKAF COc1ccc(CNC(=O)c2cccc3c(-c4ccc(F)c(F)c4)coc23)cc1OC 61904729 NQCGVHYXVKOEFX-UHFFFAOYSA-N 423.415 5.325 0 3 HKAF C[C@@H]1C(=O)N2N=Cc3cc4ccccc4cc3[C@H]2N2N=Cc3cc4ccccc4cc3[C@@H]12 203465208 WJLLOFPIGVFRQV-HKFLSJHISA-N 416.484 5.208 0 3 HKAF O=C(Nc1ccc(Cl)cc1)c1csc([C@H](O)c2cccc(C(F)(F)F)c2)n1 206058052 XEUFKZWOXBDMDW-OAHLLOKOSA-N 412.820 5.149 0 3 HKAF CC(C)c1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@H]2CCCC[C@H]2O)cc1 773363 LMYZZEIADLLTEI-LEWJYISDSA-N 422.500 5.304 0 1 HKAF COc1ccc(-c2noc(-c3cccc4ccccc34)c2C(=O)NC2CCCC2)cc1 773948 VKPAYVWMPDDPQW-UHFFFAOYSA-N 412.489 5.843 0 1 HKAF O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)NC1C[C@H]2CCC[C@H](C1)N2C1CC1 1368786 WOEAYXLJAHISIF-HUUCEWRRSA-N 401.860 5.028 0 1 HKAF C[C@@]12Cc3cnc(-c4ccccc4)nc3C[C@@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 6201687 PHBHRCDYKYBQFC-NLYYCJMXSA-N 416.609 5.852 0 1 HKAF CCOc1cc2ncnc(Nc3ccc(F)c(-c4csc(C)n4)c3)c2cc1OCC 13490805 NRHQPXPAVNZKEJ-UHFFFAOYSA-N 424.501 5.742 0 1 HKAF Cc1cccc(NC(=O)Nc2c(-c3ccccc3)c3cc(C)c(C)cc3c(=O)n2C)c1 13742615 HPSOFZODPZQTAH-UHFFFAOYSA-N 411.505 5.775 0 1 HKAF Cc1ccc(F)c([C@@H]2[C@H]3C=CC[C@@H](c4ccccc4)[C@@H]3C(=O)N2Cc2ccccc2)c1 13830782 JKQUHEGFTUFCCP-ZCUSHOGSSA-N 411.520 6.194 0 1 HKAF C[C@H](Oc1ccc2c(c1)OC[C@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 13890457 ZMUMGTCKRJQJMD-SZCFDOLESA-N 412.489 5.055 0 1 HKAF CC/C(=C(\Cc1ccccc1)c1ccc(OCN2CCCCC2)cc1)c1ccccc1 26020987 XYSPCKLGVDFXBD-ZIADKAODSA-N 411.589 7.072 0 1 HKAF Cc1ccc(NC(=O)N(CC[C@H](C)CC(C)(C)C)CC[C@H](C)CC(C)(C)C)c(C)c1 26402869 ZXECXNOJDGKRGR-VXKWHMMOSA-N 416.694 8.062 0 1 HKAF Fc1ccc([C@@H]2[C@H](c3ccc(F)cc3)C[C@@H]3CC[C@H]2N3CCCc2ccccc2)cc1 26984864 HMCBNLGRMGUNCH-YVHASNINSA-N 417.543 6.702 0 1 HKAF CCCCN(Cc1ccccc1-c1ccccc1)c1nc2nc3ccccc3n2s1 27556818 PEBWETXEVDSLGJ-UHFFFAOYSA-N 412.562 6.418 0 1 HKAF CCCC(CCC)N1CCc2c3c1cc(C)nc3cn2-c1ccc(Cl)cc1Cl 28520503 VTKRRCWSAXOGFB-UHFFFAOYSA-N 416.396 6.972 0 1 HKAF CCN(CC)CCC[C@H](C)Nc1nc(-c2ccccc2)cc(-c2ccc(O)cc2)n1 28562965 BNUZEQUWGAJINO-IBGZPJMESA-N 404.558 5.439 0 1 HKAF O=C1Nc2ccccc2[C@@H](c2ccccc2)N1C1CCN(Cc2cccs2)CC1 28568086 CZBBMHDLBCBPPI-HSZRJFAPSA-N 403.551 5.350 0 1 HKAF CC(C)O[C@@H](CCc1ccccc1)c1ccccc1OC[C@@H](O)CN1CCCCC1 28636996 GMKIJWJMLADROB-OZXSUGGESA-N 411.586 5.011 0 1 HKAF CC(C)(C[C@](O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cccc2c1OCC2 34323436 NNTHLQVZGURUAX-JOCHJYFZSA-N 403.444 5.307 0 1 HKAF Fc1cc(F)c2nc(-c3ccc(-n4cncn4)cc3)n(Cc3cccc(Cl)c3)c2c1 43018769 BSZIFTAIBXWNHQ-UHFFFAOYSA-N 421.838 5.264 0 1 HKAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)[C@@H](N)C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 45285631 LMHKDOXVMXUVGN-GIRAZQDRSA-N 417.634 5.129 0 1 HKAF CC(C)(C)S[C@H]([C@H](OCc1ccccc1)c1ccc(Cl)cc1)n1ccnc1 45358706 LINMDIHWXVNQQT-NHCUHLMSSA-N 400.975 6.525 0 1 HKAF CCN(CC)CCCNCc1cc2c3ccccc3n(Cc3ccc(F)cc3)c2cn1 53294073 QUBQBYHWLXGWST-UHFFFAOYSA-N 418.560 5.198 0 1 HKAF Brc1ccc([C@]2(CC3CCCCC3)c3ccccc3-c3nccn32)cc1 72112284 SWDXKJHVVQLTJG-HSZRJFAPSA-N 407.355 6.388 0 1 HKAF COc1ccc(-c2ccc(-c3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)cc2)cc1OC 73292272 QJIFXESCPUMACJ-UHFFFAOYSA-N 420.512 6.890 0 1 HKAF Cn1c(NCc2ccccc2)nc2cnc(Nc3ccc(OC(F)(F)F)cc3)cc21 82081875 SVAMQEYRRZGRFV-UHFFFAOYSA-N 413.403 5.223 0 1 HKAF CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4N(C)CCCC(C)C)[C@@H]3CC[C@@H]2C1 84587135 SUURJOMPZAFTED-LADYEXLUSA-N 403.695 6.781 0 1 HKAF O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccccc2CCc2ccccc2)cc1 95596106 QIHOPWMFPQWRBK-NDEPHWFRSA-N 422.524 6.214 0 1 HKAF Cc1ccc(-c2cc3ncc4c(-c5cccnc5)nn(-c5ccccc5)c4n3n2)cc1 96914395 FRRBGULOLADXQY-UHFFFAOYSA-N 402.461 5.106 0 1 HKAF Fc1cccc(F)c1[C@H]1CC(c2ccccc2)=NN1C1=N[C@H](c2ccccc2)S1 98083945 KACHUZFVJUVDJM-IRLDBZIGSA-N 405.473 5.918 0 1 HKAF Cc1cc(-c2cccc(C3=Nc4cc(C)c(C(F)(F)F)cc4NC(=O)C3)c2)ccn1 101383262 ZTMGYWMZJBHXBD-UHFFFAOYSA-N 409.411 5.847 0 1 HKAF Oc1ccc2c(c1)CCc1ccc(O)c(c1)-c1cc(ccc1O)/C=C\c1cccc(c1)O2 101562314 DLWONXBMHBQJCM-PLNGDYQASA-N 422.480 6.532 0 1 HKAF CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2ccccc2)C2=C(O)CC(C)(C)CC2=N1 103872794 DOBQCAKZVLHMGF-JOCHJYFZSA-N 401.510 5.473 0 1 HKAF C[C@]1(c2cc(Cl)cc(NC(=O)c3cc4ccccc4s3)c2)CCSC(N)=N1 141468267 KDLYSZWBMLLFGW-HXUWFJFHSA-N 415.971 5.474 0 1 HKAF c1ccc(CN2[C@@H](c3ccccc3)C3=C(NO[C@@H]3c3cccnc3)[C@@H]3CCCC[C@@H]32)cc1 195451817 KURMYIOERUOJAA-YFQNEARWSA-N 423.560 5.728 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 238753779 BBTIMXAYZRWPNG-FBZNIEFRSA-N 414.718 8.025 0 1 HKAF CC(=O)O[C@H]1C=C(C)CC[C@@H]2OC(=N)S[C@@]2(C)CC[C@@H](C(C)C)C=C[C@@](C)(O)C1 253666647 DETHKBIMUIMKST-JQZONJITSA-N 423.619 5.233 0 1 HKAF CC[C@@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@H]1CC3)C(C)C 255209724 FQJAPGMYXUZOEN-GCJIQLPWSA-N 412.702 7.945 0 1 HKAF CC(C)(C)c1ccccc1CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 299818875 ALIODPDOSCTBMC-UHFFFAOYSA-N 413.605 6.132 0 1 HKAF Cc1c(C)c2c(c(C)c1O)C=C[C@@](C)(COCc1cc(-c3ccc(O)cc3)no1)O2 299837700 KLSJKPVWDUUSPO-DEOSSOPVSA-N 407.466 5.059 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@H](NC(=O)OC(C)(C)C)CC4)-c1ccccc1C2=O 586996710 PFXRBDWVAARWGL-GOSISDBHSA-N 400.478 5.267 0 1 HKAF Clc1nccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c12 586998737 PDRLJCUBWMBHFD-UHFFFAOYSA-N 414.690 5.620 0 1 HKAF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cccnc4[nH]3)cs2)cc1 587013729 AKFURWDRHSDFMP-UHFFFAOYSA-N 407.499 5.019 0 1 HKAF Fc1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c(F)c1F 587014934 AKHPNHNGJZXYPS-UHFFFAOYSA-N 400.212 6.078 0 1 HKAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc(Br)c(F)c(F)c2[nH]1 587026045 AAYGPFJKRVPETM-UHFFFAOYSA-N 410.243 5.219 0 1 HKAF FC1(F)Oc2cc3nc(-c4ccc(OCc5cccc(Cl)c5)cc4)[nH]c3cc2O1 587069598 FNXYUCVAUSVSND-UHFFFAOYSA-N 414.795 5.784 0 1 HKAF Cc1cc(Cl)cc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c12 587072527 YLBBVZHOYJWHAK-INIZCTEOSA-N 420.340 5.987 0 1 HKAF Cc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c2cc1Br 587077591 XLIMMWMABOIETI-UHFFFAOYSA-N 401.695 5.448 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)ccc2F)cc1 587139236 DCEYGMHOQQCGHL-UHFFFAOYSA-N 416.349 6.397 0 1 HKAF C[C@]1(c2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329733 ZARXUYQDIJMWOQ-RBBKRZOGSA-N 417.263 6.112 0 1 HKAF Cc1ccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587331764 BVUQGPFMOHGZJG-NJSCVUNBSA-N 417.480 5.169 0 1 HKAF CC[C@@]1(C(C)(C)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348879 AYMLONCXWNGTCR-ZEQKJWHPSA-N 404.481 6.017 0 1 HKAF CC1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2O1 587353878 NWVDMXMQOMHJTQ-DHLKQENFSA-N 404.437 5.347 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 587355885 XGJADAVXYHJPHV-OXTYCOSGSA-N 402.465 5.987 0 1 HKAF COc1cccc(-c2cc(-c3ccc([C@H](C)OC)cc3)nc3c2oc2ccccc23)c1 587362863 MCUWLBLMAUDPCJ-KRWDZBQOSA-N 409.485 7.031 0 1 HKAF COc1cccc(-c2cc(-c3c(O)cc(O)cc3OC)nc3c2oc2ccccc23)c1 587362926 MSVPGIQPIKPITC-UHFFFAOYSA-N 413.429 5.743 0 1 HKAF COc1cccc(-c2cc(-c3cnn(C(C)(C)C)c3C)nc3c2oc2ccccc23)c1 587364655 ZFWSDDCUMLEJAK-UHFFFAOYSA-N 411.505 6.584 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCc3cc(SC(F)F)ccc31)CC2=O 587465018 FBFXNUCAQZINCL-JOCHJYFZSA-N 404.478 5.856 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3ccsc3C(C)=O)c1)CC2=O 587493424 HDCKLLYUTHBYLE-JOCHJYFZSA-N 406.503 5.982 0 1 HKAF Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587516372 RXAOUVCQHKBAFW-RUZDIDTESA-N 424.500 6.026 0 1 HKAF Cc1nc(-c2ccc(C)n2C)sc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587531410 JYBUVUGRGLYBKS-DEOSSOPVSA-N 406.551 5.525 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cc(Cl)ccc2n1 587551609 HONJWXWSQBBGQU-NFBKMPQASA-N 403.821 5.297 0 1 HKAF CCCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587593484 DSWMCKBOUJHYTH-RCZVLFRGSA-N 420.461 5.283 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1ccc(-c2ccccc2)cc1 587603922 SIXRSOJUTFICAH-AZGAKELHSA-N 422.480 6.022 0 1 HKAF CC(C)[C@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615349 XEOLWEGUCCDXJA-WIYYLYMNSA-N 400.883 5.620 0 1 HKAF CCCc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)sc1C 587657636 BWJJWNVUYNQDPI-UHFFFAOYSA-N 424.472 5.353 0 1 HKAF CCOc1ccc(-c2nn(-c3cc(F)ccc3F)c(=O)c3ccccc23)cc1OCC 587671815 SCEDZMRLEKVEOL-UHFFFAOYSA-N 422.431 5.128 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC(F)(F)F)c2)N1 587714844 BKDMYLMPKZRIQI-ABKXIKBNSA-N 404.201 5.110 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Br)c2F)N1 587726521 JPBZPNZWPIGSGT-ZKANADHPSA-N 417.091 5.113 0 1 HKAF CCCCC[C@]1(c2ccc(N)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587742505 AEQFFUHPZRGBAB-SPLOXXLWSA-N 405.355 5.529 0 1 HKAF CCOc1ccc2nc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 587780281 ZVBKRGIXNUMORO-QKVFXAPYSA-N 415.306 5.159 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(-c3ccccc3)s2)N1 587852193 DZKQKFRDMKRUIO-MPBGBICISA-N 417.347 5.509 0 1 HKAF COc1cccc(-c2cccc(-n3c(OC(C)(C)C)cc(-c4ccccc4)c3O)c2)c1 587924872 BCRYUVRNIYQNHH-UHFFFAOYSA-N 413.517 6.703 0 1 HKAF CCCCOc1ccc(OCCCC)n1-c1ccc(CCCC)cc1Br 587937408 QWTOABYSLVFWFH-UHFFFAOYSA-N 422.407 6.940 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2ccc(OCc3ccccc3)c(F)c2)N1 962956799 YVHTVJFEJXKKMS-NFQMXDRXSA-N 414.524 6.074 0 1 HKAF O=C1Nc2ccccc2[C@]2(c3ccccc31)c1ccsc1CCN2Cc1cccnc1 962999499 RXMSEBYGWIHACT-AREMUKBSSA-N 423.541 5.059 0 1 HKAF Cc1ccc([C@@]2(c3cc(Cl)cc(Cl)c3)NCCc3c(C)ccnc32)cc1Cl 963067921 AVLBFLVKNFVPCC-QFIPXVFZSA-N 417.767 6.096 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@]2(CCc1ccccc1)c1ccc(Cl)c(F)c1 963114588 UWSPWHNEBATYKO-GJZUVCINSA-N 423.934 6.515 0 1 HKAF Cc1ccc2nc(-c3ccc(F)cc3)c([C@H]3c4c(F)cccc4C[C@@H]4CCCN43)n2c1 963116433 WYAQULAOMYDSPQ-NBGIEHNGSA-N 415.487 5.698 0 1 HKAF Cc1nc2c(OCc3ccccc3)cccn2c1C1CCN(C2CCCCC2)CC1 1857536407 MXLJMBLFEGSIAZ-UHFFFAOYSA-N 403.570 5.734 0 1 HKAF CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(C)=O)[C@@H]2[C@@H]1O 1857631470 SZAJXRXBQVPUJP-GLWLTTTDSA-N 418.662 5.618 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356413497 YYVUMXYSCXRWIL-UIDCAZIFSA-N 416.690 6.584 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356493594 YWDSWFAFCJJBJI-FOFYAQBASA-N 420.678 5.410 0 1 HKAF CC1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](C)CC[C@]34C)[C@@H]2[C@@H]1C 2356525592 UQSMQZZYUKDRFU-GCYYLASSSA-N 424.757 9.300 0 1 HKAF COc1cc2c(cc1O)O[C@H]1c3ccc(O)c(CC=C(C)CCC=C(C)C)c3OC[C@@H]21 2356559632 GIZZVIVXSZOUBO-FNZWTVRRSA-N 422.521 5.951 0 1 HKAF CC=C(C)[C@@H](O)[C@@H](C)C=C(C)C=CCC(C)=CCc1nc(OC)c(OC)c(O)c1C 2356716084 BBLGCDSLCDDALX-SIKLNZKXSA-N 415.574 5.457 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356801703 RQWFQYUNTZZGLZ-OMTONMSHSA-N 416.690 6.606 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 4104925 HCXVJBMSMIARIN-TWCABLPCSA-N 412.702 7.801 0 1 HKAF FC(F)(F)c1ccc2c(c1)nc(-c1ccccc1)n2C[C@H]1CCCN2CCCC[C@@H]12 5596649 VMZQRZAFYVIVPQ-NQIIRXRSSA-N 413.487 5.987 0 1 HKAF CCCCNc1nc(C)nc2c1nc(-c1ccccc1)n2CCCN1CCCC[C@H]1C 7991833 DIPQUOCUROXXET-LJQANCHMSA-N 420.605 5.278 0 1 HKAF O=C(Oc1ccccc1)[C@H]1[C@@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 13473287 BTRDJLBCRUKQNT-MOFNOHANSA-N 414.332 5.465 0 1 HKAF CN(C)CC[C@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1 13684856 SLYBGBRKSZVGCJ-QHCPKHFHSA-N 423.944 5.947 0 1 HKAF CC(C)n1cc2c3c(cccc31)C1=C[C@@H](COC(=O)C3CCCCCC3)CN(C)[C@@H]1C2 13793950 LZHUJFVQWXTZBN-KBMIEXCESA-N 420.597 5.606 0 1 HKAF Clc1cc(Cl)cc(N2CCN(CCCCOc3ccc4c(c3)CCC4)CC2)c1 26502348 CPYNOVMCISBQKO-UHFFFAOYSA-N 419.396 5.463 0 1 HKAF CCc1oc(-c2ccc(C)cc2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)O 28952015 OWLPGEAGCJNJKI-IBGZPJMESA-N 405.494 5.338 0 1 HKAF O=C(NCCCCN1CCC[C@H](/C=C\c2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 29330057 ADZVHSJSSGEZSH-DAHIDWHRSA-N 420.641 5.525 0 1 HKAF COc1ccc(-c2ccoc2)cc1[C@@H]1[C@@H]2C=CC[C@H](C)[C@H]2C(=O)N1Cc1ccccc1 36388048 WYRUCDCEDBQBNX-RLXGTLHVSA-N 413.517 5.867 0 1 HKAF CCO[P@](C)(=O)Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 40395189 YCZQPIPSISTQIP-MHZLTWQESA-N 414.467 5.694 0 1 HKAF Cc1cccc(C)c1NC(=O)c1ccc(Nc2nc(C3CC3)c3ccccc3n2)cc1 40899914 BDBSUESQZJUWIW-UHFFFAOYSA-N 408.505 6.120 0 1 HKAF O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccoc3)n(CC(=O)N3CCCC3)c2c1 45355206 ZUYAEKFDCWHOOR-UHFFFAOYSA-N 420.509 5.270 0 1 HKAF COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(OCCCc4ccccc4)ccc3CC[C@@H]12 45498729 FXTOGDZOIOEWCH-IEUSDUHPSA-N 406.566 5.882 0 1 HKAF O=C(COc1ccc(-c2ccc(Cl)cc2)cc1)Cn1ccc2cc(C(=O)O)ccc21 49049182 CEEGETAVOPUXMU-UHFFFAOYSA-N 419.864 5.308 0 1 HKAF CC(C)=CCC[C@]1(C)CCC[C@@]2(C)[C@@H](Cc3cc(C(=O)O)ccc3O)C(C)=CC[C@H]12 49802990 IIMZFSAVKIVVHG-BJDRNOHOSA-N 410.598 7.158 0 1 HKAF in-vivo CC(C)(C[C@](O)(CNc1cccc2ncccc12)C(F)(F)F)c1cc(F)ccc1O 64528123 BCEBCGJPCPOGCH-NRFANRHFSA-N 422.422 5.153 0 1 HKAF O=C(N[C@@H](c1ccc(Cl)c(Cl)c1)C1CCCCC1)c1ccc2cnccc2c1 72178909 ICGQHMCGZOGFPK-JOCHJYFZSA-N 413.348 6.593 0 1 HKAF C[C@@H]1C[C@@H](Nc2cncc(Oc3cccc(Nc4ccccc4)c3)n2)CC(C)(C)C1 82068718 CCQRDDOOHJWTQE-WIYYLYMNSA-N 402.542 6.639 0 1 HKAF CCCCNC(=O)c1cnc(NCCCC)nc1-c1ccc(-c2ccccc2)cc1 82153030 MWUSSWMQPYWTDV-UHFFFAOYSA-N 402.542 5.553 0 1 HKAF CCCCCn1c(-c2ccc(C)o2)nc2c(NCCCc3ccccc3)ncnc21 82179945 DQTIBKGRQAOUJB-UHFFFAOYSA-N 403.530 5.630 0 1 HKAF CCCOC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1Cl 84617838 XKVWMAQCLBUICD-UHFFFAOYSA-N 416.865 5.003 0 1 HKAF CCn1c2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc2c2ccnc(C)c21 95594297 FJKCJRQCPFOLAE-UHFFFAOYSA-N 406.354 5.792 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 95618340 YSKVBPGQYRAUQO-GXMKNNQGSA-N 414.718 8.025 0 1 HKAF endogenous,in-man CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1CC(=O)[C@]3(C)CC[C@]12C3 101519555 GHPIXCFNRDYEIY-CGKWDSPJSA-N 424.581 5.185 0 1 HKAF Cc1cccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3nn(-c4ccccc4)c(O)c32)c1 101701948 SNQAHNHNIPJPTK-HXUWFJFHSA-N 405.457 5.435 0 1 HKAF aggregator COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(O)cc4)C3=C(O)C2)cc1 104693344 BMOGOUHFGLSSSS-QYBDOPJKSA-N 412.489 6.030 0 1 HKAF C[C@H]1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2c1c1ccccc1n2Cc1ccccc1 105478754 AONNCUFLRUFGMU-KDSXSNECSA-N 420.512 5.470 0 1 HKAF COC[C@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2nc3ccccc3s2)c1 113755691 HZHWWXAOANGKFD-KRWDZBQOSA-N 416.546 5.703 0 1 HKAF CC[C@@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)C1(C)C 137545638 HRNVWBIKQMSFHI-GFECEOJFSA-N 412.702 7.635 0 1 HKAF O[C@@H]1CC=C(c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CC1 142982227 SBLAKZXXCMPURN-GOSISDBHSA-N 415.518 6.155 0 1 HKAF Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4ccc(F)cc4)c(F)c3F)[nH]c2c1 144715838 FFRTZRGWHXARIE-UHFFFAOYSA-N 418.321 5.599 0 1 HKAF C[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2/C(=C/C=C3\C[C@@H](O)CC[C@H]3C)CCC[C@@]21C)C(C)(C)O 238735555 CJYKTRYRFPHSGB-OZJDLNKISA-N 414.674 6.836 0 1 HKAF C/C=C(/C)[C@H](O)[C@@H](C)/C=C(C)\C=C/C[C@@H](C)/C=C/c1oc(OC)c(CC)c(=O)c1C 238785968 RZWLIPXWCCRKLN-MOIJKDAHSA-N 414.586 6.024 0 1 HKAF Brc1cnc2c(-c3nc4cc(OCc5ccccc5)ccc4[nH]3)cccn12 587007648 MCZLKDLORGJKTM-UHFFFAOYSA-N 419.282 5.219 0 1 HKAF c1coc(-c2nc(Cc3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cs2)c1 587017483 MRJDSQVAWWRWEQ-UHFFFAOYSA-N 414.515 6.147 0 1 HKAF Brc1ccc(Br)c2[nH]c(CSCc3ccsc3)nc12 587027087 OYFREIHCOSPJSY-UHFFFAOYSA-N 418.179 5.583 0 1 HKAF CC(C)(C)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2n1 587027161 PVMHIGHZDLBMOM-QRQLOZEOSA-N 422.598 5.392 0 1 HKAF Clc1ccccc1-c1ccc(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 587062645 HYYUMDZLQALZJL-UHFFFAOYSA-N 417.940 5.306 0 1 HKAF Clc1ccccc1OCc1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587063213 IKDMRCKDHLSDDJ-UHFFFAOYSA-N 406.869 5.624 0 1 HKAF COc1cc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1C 587072803 XKUFATACZJVXQA-HXENDQSFSA-N 401.337 6.553 0 1 HKAF Cc1c(-c2nc3c(Cl)c(Br)cnc3[nH]2)cnn1-c1ccc(Cl)cc1 587076257 SNNPTCHNNSNLIZ-UHFFFAOYSA-N 423.101 5.188 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cccc(OCc4ccccc4)c3)nc3cccc1c23 587107155 PUDYGFGILGQCJC-UHFFFAOYSA-N 413.476 6.692 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)ccc2F)cc1 587139702 QUTCFSRPMZSSBS-UHFFFAOYSA-N 414.358 6.137 0 1 HKAF Fc1ccc(-c2ccccc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1F 587146076 YCTDFYIQOPXRDE-UHFFFAOYSA-N 405.448 5.007 0 1 HKAF Brc1cccc(-n2ncc3c2CCc2c-3nc3cccc4c3c2CC4)c1 587208341 QKCMCLHRHXNVKK-UHFFFAOYSA-N 402.295 5.047 0 1 HKAF C=CC(=O)Nc1ccc(-c2nc3cc(Br)c(OCCCC)cc3[nH]2)cc1 587243293 AVTWQERVRSDYLR-UHFFFAOYSA-N 414.303 5.296 0 1 HKAF C[C@H](c1ccccc1)N1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587345561 PXOYBMHWUIYODO-OQRIRGNISA-N 417.480 5.096 0 1 HKAF CC1(C)CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587354498 QVUQSMTZQPNYFP-OZXSUGGESA-N 402.465 5.857 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]3COCc2ccccc2)c1 587363408 SQOIFUAYVNGPAZ-FQEVSTJZSA-N 421.496 6.513 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ccccc3)c(Br)c1)O2 587376600 JSSUVIJFFAVXPN-OAQYLSRUSA-N 424.294 5.839 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(Cl)cc(C(F)(F)F)cc1Cl)O2 587383561 YUKPFKDOPASHSS-QGZVFWFLSA-N 404.215 5.783 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(Cl)cc4)nc4ccccn14)[C@@H](C2)C3=O 587424075 WWEGMJWZAFWJSN-BXKMTCNYSA-N 416.864 5.152 0 1 HKAF COc1ccc2c(c1)CC[C@@H](c1ccccc1)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440192 AZHMBKRMEJFIPW-VBANMALSSA-N 412.485 5.077 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(C(C)C)CC2=O 587458137 QDXZURFGRZPZSX-NRFANRHFSA-N 403.316 5.624 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1OC[C@@H]1CCCO1)CC2=O 587459077 BIIREZMALXECAY-OYHNWAKOSA-N 416.901 5.262 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1-c1ccc(C(=O)O)cc1)CC2=O 587487733 IABUKAYXTQZQFJ-SANMLTNESA-N 416.473 5.591 0 1 HKAF C[C@@]1(Cc2ccc(F)cc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587500907 DWVVJPBBFGXQSP-OAQYLSRUSA-N 403.291 5.434 0 1 HKAF CCc1ccc2[nH]c(C(C)(C)C)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587523990 JFJRENCLQBBDND-QHCPKHFHSA-N 401.550 6.613 0 1 HKAF CCOC(=O)[C@H](Cc1ccccc1C)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525097 PTHORRKVKBMZPO-NVQXNPDNSA-N 406.522 5.020 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1OC(F)(F)F 587554755 JDCQQXOKAHJKDK-PXNSSMCTSA-N 420.314 5.133 0 1 HKAF CCC(C)(C)c1ccc(OCc2nc3ccc(I)cc3[nH]2)cc1 587565139 YKDVYUFIHJPSSR-UHFFFAOYSA-N 420.294 5.434 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2ccc(F)cc2)c1 587572618 SUVYMMFHZAHXOD-ZEQKJWHPSA-N 412.416 5.901 0 1 HKAF CCOc1ccc(C(C)C)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594362 GYOUFRXHANNLIW-WIOPSUGQSA-N 404.462 5.617 0 1 HKAF CCCOc1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587595148 JECFOVDZHWEYIQ-PXDATVDWSA-N 404.462 5.501 0 1 HKAF CSc1scc2c1[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609860 DVFVKZCBCPFBLJ-GCJKJVERSA-N 410.516 5.369 0 1 HKAF CCOC(=O)c1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2c(C)cc(Cl)cc12 587626036 BYUFJBOIFXMIMD-AWEZNQCLSA-N 420.937 5.421 0 1 HKAF CCCCCC(=O)n1nc(-c2ccc(OCC)c(OCC)c2)c2ccccc2c1=O 587671671 PWFFGOXTPYZXBM-UHFFFAOYSA-N 408.498 5.081 0 1 HKAF Cc1ccc(Br)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587678278 KFLQVMAJPITSFD-BMLIUANNSA-N 413.128 5.283 0 1 HKAF Cc1cc(C)cc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587709179 JCLJERZDYWJTSN-KZULUSFZSA-N 416.256 5.545 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2SC(F)(F)F)N1 587724143 ZYYUQLRHFIWAGE-FVMDXXJSSA-N 420.269 5.824 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3ccncc3)c2)N1 587780141 YTJUCLQUSLKIIM-PEBXRYMYSA-N 411.318 5.448 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(=O)OC(C)(C)C)c2)N1 587790652 HAPQMQALJKUECI-HXPMCKFVSA-N 420.322 5.167 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)[nH]c2ccccc23)N1 587806816 VYBVSIQNVWMIIA-NPMABZOXSA-N 423.329 6.020 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3cccs3)c2)N1 587851771 JJHABSRSHNKLGE-MPBGBICISA-N 402.332 5.940 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3cccs3)s2)N1 587854086 POWLGFYYJXEBSR-ABKXIKBNSA-N 409.349 5.397 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2nc3ccccc3s2)N1 587854824 DMYPEEIVMNJVPL-NSPYISDASA-N 405.336 5.190 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(OCC(C)C)c1 587862837 YGQOHKBBEGSWHE-UHFFFAOYSA-N 418.415 5.301 0 1 HKAF COc1ccc(-c2cc(O)n(-c3ccc(Oc4ccc(F)cc4)c(F)c3)c2O)cc1 587946334 VVGUCEKSHCNCJZ-UHFFFAOYSA-N 409.388 5.635 0 1 HKAF COc1ccc(-c2cc(O)n(CC[C@@H](c3ccc(F)cc3)c3ccco3)c2O)cc1 587946453 UJUWZIKIMAICRA-FQEVSTJZSA-N 407.441 5.529 0 1 HKAF Cc1ccc(C(=O)C[C@H](c2ccccc2Cl)[C@H]2C(=O)Oc3ccccc3C2=O)cc1 957591873 LTQMVETWLGHXGZ-AUSIDOKSSA-N 418.876 5.423 0 1 HKAF Cc1ccc([C@]2(c3c(Cl)cccc3Cl)NCCc3ccc(F)c(C)c32)cn1 962297509 JKFXFWNIXOYNRD-QFIPXVFZSA-N 401.312 5.582 0 1 HKAF c1ccc(-c2cnc([C@@H]3c4ccccc4C[C@H]4CN(c5ccccc5)CCN43)s2)cc1 962645839 RXSWOUFEROIQDP-OZXSUGGESA-N 423.585 5.646 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)C2(CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)N1 962946294 KYBZPQFMMGSVIT-QGZVFWFLSA-N 409.574 5.099 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](Cc2ccccc2)(c2ccccc2C(=O)O)N1 962956469 YGCLVECMKXFVON-PPHZAIPVSA-N 410.517 5.277 0 1 HKAF CC(C)(C)c1ccccc1NC(=O)Nc1nc([C@H](N)CCc2ccccc2)cs1 1857595701 HDKNBEJZYVJZTL-GOSISDBHSA-N 408.571 5.717 0 1 HKAF Fc1ccc(Nc2ncnc3sc4c(c23)CCN(Cc2ccccc2)C4)c(F)c1 1857620435 VSJQPFMSNXLWEJ-UHFFFAOYSA-N 408.477 5.271 0 1 HKAF CC(C)OCc1ccccc1CNC(=O)c1c2c(c(Cl)n1C)CC(C)(C)CC2 1857647989 MXPIHVJVTXGYGQ-UHFFFAOYSA-N 402.966 5.048 0 1 HKAF O=C(Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1)c1ccccc1O 1857654752 ARYJEILLDLVXFK-UHFFFAOYSA-N 412.923 6.059 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1cc(CC(=O)O)ccc1O 2356449394 KWRMKPPRYRRMKO-UHFFFAOYSA-N 424.625 7.708 0 1 HKAF Cc1c2c(cc3c1C(=O)C[C@]1(C)[C@@H]3CC[C@@H]1[C@H](C)C=C[C@@H](C)C(C)C)CC[C@@H](O)C2 2356479250 JEBBAGYMMFYRSR-QZVDRZAESA-N 408.626 6.415 0 1 HKAF CC(C)=CCCC(C)=CCC[C@](C)(O)[C@@H]1Cc2c(O)c(Cl)c(C)c(C=O)c2O1 2356482306 JAXLESZZOAELTH-CVDCTZTESA-N 406.950 5.694 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CCC2=C3CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 2356585190 GXGUDXDDESQQQQ-UNGRIMQSSA-N 412.702 8.089 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2C(CC=C3C[C@H](O)CC[C@@H]3C)=CCC[C@@]21C)C(C)C 2356774021 PEZYBANEVGHIMB-JCGNJDJSSA-N 414.718 8.335 0 1 HKAF CC(=O)Nc1cc(-c2ccc(N)cc2)cn2c(-c3cccc(C(F)(F)F)c3)cnc12 61898203 ZTUXOSXRQJMSQR-UHFFFAOYSA-N 410.399 5.228 0 3 HKAF CSc1ccc([C@H](O)c2nc(-c3cccc(OCc4ccccc4)c3)c[nH]2)cc1 61905949 RSRDDHQJHHBHHD-QHCPKHFHSA-N 402.519 5.459 0 3 HKAF Cc1c(C)c(CCO)c(C)c([C@@H](CCCCCC(=O)O)c2ccc(F)cc2)c1O 13456382 JCPRQXULAPKVCA-NRFANRHFSA-N 402.506 5.158 0 1 HKAF CN1CCC(c2ccc([C@@H]3c4ccc(O)cc4CCN3c3cccc(O)c3)cc2)CC1 13607735 WVGGRDFFTPHRGU-HHHXNRCGSA-N 414.549 5.059 0 1 HKAF C[C@@H](Cc1cc(CCC[C@@H](C)Cc2cc(CCCc3ccoc3)co2)co1)C(=O)O 14439613 XBNXDSNAWAAPPE-MOPGFXCFSA-N 412.526 6.106 0 1 HKAF biogenic COc1cc(O)cc(O)c1C(=O)[C@H]1[C@@H](c2ccccc2)CC=C(C)[C@@H]1CC=C(C)C 14636848 DIHCGASLQARQMP-YZUZCNPQSA-N 406.522 6.012 0 1 HKAF biogenic CC(=O)c1ccccc1-c1ccc2c(c1)CN(C(C)=O)c1ccc(Cl)cc1CC2 28571793 NSZPQQAEQKCCQG-UHFFFAOYSA-N 403.909 5.861 0 1 HKAF Cc1ncc(NC(=O)c2cc(NC(=O)c3cccc(Cl)c3)ccc2Cl)s1 40393210 MHUNFCOBOKSURA-UHFFFAOYSA-N 406.294 5.263 0 1 HKAF CC(C)CNC(=O)/C=C/[C@H]1C[C@H]1[C@H]1C[C@H]1[C@H]1C[C@H]1[C@H]1C[C@H]1[C@H]1C[C@H]1/C=C/[C@@H]1C[C@H]1C 40748815 SZYJBOHZBFNTMP-HNSDMSDASA-N 407.642 5.708 0 1 HKAF in-vitro O=C1CCCCc2ccc(OC(=O)c3ccccc3)c(c2)Oc2ccc(cc2)CC1 45347685 BCRAKQQCVLNSSN-UHFFFAOYSA-N 400.474 5.926 0 1 HKAF Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(F)c(Cl)c3)cc2c1 66262210 DQSBURFDEBEZHD-UHFFFAOYSA-N 424.859 5.065 0 1 HKAF CCOC(=O)c1c(CCCCCCCCCCO[C@H]2CCCCO2)cccc1OC 71294355 NKPSPVCIDIEJFQ-HSZRJFAPSA-N 420.590 6.078 0 1 HKAF C[C@@]12CCC[C@@](C)(C(=O)OCc3ccccc3)[C@H]1CC[C@]13CC(=O)O[C@H](CC[C@H]12)C3 71296490 KFURNFYXBBPATL-JNPATEMHSA-N 410.554 5.438 0 1 HKAF COc1cc2ncnc(Nc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1OC 71316366 HRWOOOCQADOZGY-UHFFFAOYSA-N 415.453 5.035 0 1 HKAF CCCN(CCC)c1c(C(C)C)c(Nc2ccc(OC)cc2Cl)nc2ccnn12 72119791 QTXKJGGSBVGJTE-UHFFFAOYSA-N 415.969 5.885 0 1 HKAF C[C@H]1C[C@H](Nc2cncc(Oc3cccc(Nc4ccccc4)c3)n2)CC(C)(C)C1 82068717 CCQRDDOOHJWTQE-RXVVDRJESA-N 402.542 6.639 0 1 HKAF Clc1ccc(-c2ccc(C#Cc3ccc(CCCN4CCCC4)cc3)nc2)cc1 118632769 QIRUDCQCSHJWKR-UHFFFAOYSA-N 400.953 5.830 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@@H](O)[C@H]4C[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 119267041 YYVUMXYSCXRWIL-LGDKHYEYSA-N 416.690 6.584 0 1 HKAF in-man CCCC(=O)N1CC[C@@H]2CC[C@H]3[C@@H]4CC=C(n5ccnc5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 144172974 KNJZTCBLVJEUSD-BNCSLUSBSA-N 409.618 5.615 0 1 HKAF Cc1[nH]c2cn(Cc3ccccc3)c(=O)c-2c(-c2ccc(Cl)cc2Cl)c1CN 169730479 KHERRWWDMORVLX-UHFFFAOYSA-N 412.320 5.070 0 1 HKAF COc1cc2c(c(C)c1-c1ccoc1)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC(=O)[C@@]21C 238787488 NQNPFZBDSDBVBI-BUENMJANSA-N 422.565 5.470 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@@H]4[C@H]3CC[C@]12C)C(C)C 255274829 WBTPOQYEYUEYSR-FEDWKXGRSA-N 400.691 7.491 0 1 HKAF C[C@H]([C@@H](O)CCC(C)(C)C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 299804674 SWBPHHNEYRLOHW-BQNDSMNNSA-N 416.690 6.750 0 1 HKAF O=C(O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCCS3 299852696 WLXWGKQBHKCGOD-UHFFFAOYSA-N 417.530 6.000 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3nc(Br)ccc3[nH]2)cc1 586880432 YZIZLLKRBZYZML-UHFFFAOYSA-N 408.255 5.061 0 1 HKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 586983146 WFSUHZYKFDZTPC-KXBFYZLASA-N 415.335 5.422 0 1 HKAF Clc1ccc(-c2nc(-c3ccccc3)c(Cc3nc4ncc[nH]c-4n3)s2)cc1 587013607 SYMQSGABQQPNJU-UHFFFAOYSA-N 403.898 5.339 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c1 587018280 ZWDLFTPMKMRTGZ-UHFFFAOYSA-N 421.831 5.961 0 1 HKAF Cc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Cl 587025145 DXSFGOQEHLMLQT-XPGWFJOJSA-N 413.974 5.661 0 1 HKAF Fc1cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c(F)c1F 587071035 LANONTZTBMDRGZ-TWGQIWQCSA-N 414.814 6.383 0 1 HKAF Cc1c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587075203 GNJLGQRMMCLZME-UHFFFAOYSA-N 411.214 6.050 0 1 HKAF Clc1ccc(-c2ccc(-c3nc4c(Cl)ncc(Br)c4[nH]3)cc2)nn1 587085437 SLSCEYZLLPTDJF-UHFFFAOYSA-N 421.085 5.151 0 1 HKAF FC(F)=C(C[C@H]1CCCN1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587088864 TXKHKZTWMYWCBM-MRVPVSSYSA-N 410.184 5.094 0 1 HKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(F)c2[nH]1 587114265 RPEHNLVUBNLAOP-SECBINFHSA-N 401.201 5.830 0 1 HKAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587116989 OUZDLOLVOLPEMG-UHFFFAOYSA-N 406.795 5.215 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Br)cnc3[nH]2)cc1F 587148521 BKLCFKBROFTYCC-QGZVFWFLSA-N 416.225 5.167 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c([C@@H](Nc3ccccc3)c3ccccc3F)nc2c1 587150958 VMDVMKSOAVTKTB-IBGZPJMESA-N 409.848 5.344 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Cl)nc(Cl)c3[nH]2)c(Cl)c1 587159657 RZURBTOJBOIPSW-KRWDZBQOSA-N 422.674 6.226 0 1 HKAF CCOc1ccc([C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587352476 OLWSXHKVXSWGGR-AZGAKELHSA-N 418.464 5.594 0 1 HKAF CCc1cccc2c1OCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356298 JFDFQBWFRPFFCJ-RDGATRHJSA-N 404.437 5.131 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]2OCc2ccccc2)[C@H]1c1ccc(F)cc1 587356358 QERQUKIUZVXRKY-LSQMVHIFSA-N 404.437 5.008 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)/C(=C/c2ccco2)CCC3)c1 587365648 IWWNARCNJHFTFV-FBMGVBCBSA-N 407.469 7.127 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2nccs2)[C@@H]1c1ccc(F)cc1 587377453 RNPHXWQPSXGEIQ-QPPBQGQZSA-N 417.461 5.291 0 1 HKAF COc1cc2c3c(c1)O[C@@]1(C=C(c4ccccc4)Oc4ccc(Cl)cc41)[C@@H](C2)C3=O 587420244 HVQJDUXFWYMOJT-UQBPGWFLSA-N 416.860 5.425 0 1 HKAF O=C1C[C@@H](c2ccc(-n3cccn3)c(Br)c2)Oc2c1ccc1c2CCCC1 587502727 MUJDOONRJCVDTA-NRFANRHFSA-N 423.310 5.220 0 1 HKAF CN(C)/C=C/[C@@]1(c2ccc(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587504059 IDZVYIMXXNOWFA-RGPPVUSESA-N 416.348 5.808 0 1 HKAF Cc1ccc(Cn2nc(C)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 587516448 SUJZXKMYJWWBNC-XMMPIXPASA-N 400.522 5.442 0 1 HKAF Cc1ccc(C(=O)[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587522142 HPBXDXWSHREPEG-NDEPHWFRSA-N 410.513 5.926 0 1 HKAF COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCC(C)C 587523068 MXQFACXAHOUGLQ-AREMUKBSSA-N 408.538 5.880 0 1 HKAF C[C@H](Oc1ccc(-c2ccccc2)cc1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587524450 QQNFJILPUANZRX-HMILPKGGSA-N 412.529 6.424 0 1 HKAF C[C@]1(c2ccc(C(F)(F)F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550087 SRZIZIVSVCGLDC-GHTZIAJQSA-N 418.342 5.427 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)CCC[C@]31Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589698 PVMNQSKPWZNPGU-BKMJKUGQSA-N 411.457 5.375 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C2CCCCC2)s1 587612181 KUTIKMVFDYIGFK-URXFXBBRSA-N 406.503 6.204 0 1 HKAF CCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccc(Cl)cc1Cl 587621648 GONQMGVQXNCXBA-UHFFFAOYSA-N 409.114 6.343 0 1 HKAF CO[C@@H](C)c1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2N)cc1 587626892 YGBJWVOIOJQDKD-VIFPVBQESA-N 402.338 6.162 0 1 HKAF O=C(O)[C@H](c1cccc(Cl)c1)c1c(-c2ccc(Cl)cc2)[nH]c2cccc(F)c12 587632720 JEIPMRFICFEBKX-GOSISDBHSA-N 414.263 6.497 0 1 HKAF CC[C@]1(c2cc(Cl)ccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587694321 HBFQJBLYRQBQJG-WLRWDXFRSA-N 412.730 5.438 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(C2CCCC2)N1 587702196 OIKKKDYJLFRIIV-YEJXKQKISA-N 422.769 6.210 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)c(Cl)cc2Cl)N1 587720070 MHZLDKXDEGVVRY-QPFGOUBPSA-N 421.112 5.832 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2Cc2ccccc2F)N1 587726324 IJTUKPZFKYNLME-ASSNKEHSSA-N 417.297 5.201 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C[C@@H](C)c2cn(C)c3ccccc23)N1 587759804 VPMFRHSESMEABN-PJIJBLCYSA-N 415.350 5.849 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)c2ccccc2n3C)N1 587760314 XRKBUOYDHZLQSE-ZLOXQWCVSA-N 423.329 5.857 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC23CC4CC(CC(C4)C2)C3)N1 587811438 FZMYUCIAXBMZKI-AVQZZNLCSA-N 406.383 5.944 0 1 HKAF CC(C)CCC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587812815 KWJKZXXCSUHUMH-ZHRRBRCNSA-N 404.367 6.192 0 1 HKAF COc1ccc2occ([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587825860 BAUKAUQPHHTIAV-GIPWTMENSA-N 404.279 5.141 0 1 HKAF COc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1SC 587843529 ISJAYLVBAFXELU-JEOXALJRSA-N 410.352 5.116 0 1 HKAF O=C(O)c1cc(-n2c(-c3ccccc3)ccc2-c2ccccc2)c(Br)cn1 587940738 LZCFLTYZGQFBJX-UHFFFAOYSA-N 419.278 5.667 0 1 HKAF CCOC(=O)N[C@H](c1ccccc1)[C@H]1CCCC[C@]12NCCc1ccc(F)c(C)c12 962376659 QAEPXWVREPUKJD-XRODADMRSA-N 410.533 5.153 0 1 HKAF Cc1cccc2c([C@@H]3NCCc4cccc(-c5ccccc5)c43)c(-c3ccccc3)[nH]c12 962667708 MOCLNHKQEOXENM-SSEXGKCCSA-N 414.552 7.045 0 1 HKAF C[C@@H]1Cc2cc(Br)ccc2[C@@]12c1ccsc1CCN2Cc1ccco1 962701130 BOXBXFMJISURRA-SPLOXXLWSA-N 414.368 5.598 0 1 HKAF CCC[C@@]1(c2cccc(C(F)(F)F)c2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962706901 MPQNANLGLCGLQO-XMSQKQJNSA-N 423.519 6.252 0 1 HKAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](c2ccc(Cl)cc2)(c2ccccc2Cl)N1 962899152 QKMUXDOVGQWPLK-UGKGYDQZSA-N 416.279 5.023 0 1 HKAF CSc1ccccc1CC[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962899968 OYHOXHQQNIFGRC-DHLKQENFSA-N 421.537 5.023 0 1 HKAF CCNC(=O)c1cccc(-c2ccc([C@@H]3N[C@@H](CC)Cc4c3[nH]c3ccccc43)cc2)c1 962946894 MDQNAMAQPLAIAX-NVQXNPDNSA-N 423.560 5.598 0 1 HKAF C[C@@H](c1cccc(Cl)c1)[C@H]1NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962952562 IWMZNDGKIAUUDT-VBKZILBWSA-N 409.879 5.855 0 1 HKAF Cc1cccc([C@]2(CC(C)(C)C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1C 962986444 BXRBNURCQJNCHW-MBSDFSHPSA-N 421.915 5.514 0 1 HKAF Clc1ccccc1[C@]1(c2ccccn2)c2ccsc2CCN1Cc1cccnc1 962998041 NTEKAXPYUQVMOD-XMMPIXPASA-N 417.965 5.542 0 1 HKAF Cc1ccc([C@@]2(CC(=O)C(F)(F)F)NCCc3c(Cl)cc(Cl)cc32)cc1C 963099528 AMNSXHSBKYCOOW-LJQANCHMSA-N 416.270 5.521 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCCCC(=O)O)c1ccc(C(C)C)cc1 963256552 DPAZPDKGZKDIKI-ZBLYBZFDSA-N 407.598 6.355 0 1 HKAF COC(C)(C)c1cc2cc3c(=O)cc(-c4ccc(O)c(CC=C(C)C)c4)oc3cc2o1 1772596845 PBWXNVXFBQVOFQ-UHFFFAOYSA-N 418.489 6.302 0 1 HKAF CCO[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cccc3C)c2)s1 1772610386 SSFZJQHTYBHEMR-FQEVSTJZSA-N 410.535 6.163 0 1 HKAF O=C(Nc1cc(Br)cc(Br)c1)c1ccccc1C(F)(F)F 1772646046 IWGSPMLJYSYPRU-UHFFFAOYSA-N 423.026 5.483 0 1 HKAF CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1-c1cccc2c1[nH]c1ccccc12 1857758522 RDQIJBMREBJYCQ-UHFFFAOYSA-N 404.413 5.378 0 1 HKAF CC(C)CCC[C@](C)(O)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356611768 JTNSBTTTXGDDMP-VNMJJYAUSA-N 418.662 5.763 0 1 HKAF c1cn2c(NC3CCCCC3)c(-c3ccc(SC4CCCCC4)cc3)nc2cn1 36382302 CUASSJPDIFMFDK-UHFFFAOYSA-N 406.599 6.566 0 3 HKAF CC[C@H](C)Sc1cccc(-c2nc3ccc(C)cn3c2NCc2ccccc2)c1 36382321 LNJPKDRXFJTUPB-IBGZPJMESA-N 401.579 6.812 0 3 HKAF CN(C)c1cccc(Nc2cc3c(cn2)cc(-c2cnn(C)c2)n3Cc2ccccc2)c1 82082649 NMDGWROAQFLFCD-UHFFFAOYSA-N 422.536 5.295 0 3 HKAF O=C(OCc1ccccc1)N1CC[C@H]2C[C@H]1c1cc(-c3cc4ccccc4o3)ccc12 103049109 BTNCGYQZSCSVSF-CYFREDJKSA-N 409.485 6.671 0 3 HKAF Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)CCCc1ccccc1)CC(=O)N2 2724110 UNGMGEUTPYHDSG-SANMLTNESA-N 416.496 5.027 0 1 HKAF C[C@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1)c1ccc(F)cc1 4075982 HLLLJGNVRALAQE-NQZBTDCJSA-N 412.848 5.041 0 1 HKAF CC1(C)CCC(C)(C)c2cc3c(cc21)CCc1c-3n[nH]c1-c1ccc(C(=O)O)cc1 13742689 JUIRGPCJRZSEQC-UHFFFAOYSA-N 400.522 5.890 0 1 HKAF Cc1cc(-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)cc2ccncc12 14962625 BHPSGEAUUZMDDL-QFIPXVFZSA-N 408.505 5.035 0 1 HKAF C[C@]12CC[C@H]3[C@H](CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]34C)[C@@H]1CC[C@@H]2O 27209730 GIQHGRUKLUVHHK-XAXJXGJLSA-N 415.581 5.201 0 1 HKAF Clc1ccc([C@]2(Cn3ccnc3)OC[C@H](CCc3ccccc3)O2)c(Cl)c1 28769329 JCAZSATUZWCXLC-GHTZIAJQSA-N 403.309 5.091 0 1 HKAF COC(=O)c1cc2c(CCc3ccccc3)c(C(=O)NC3CCCCC3)[nH]c2cc1C 29128291 OGRLWZSAUWCART-UHFFFAOYSA-N 418.537 5.111 0 1 HKAF COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2cc(C)ccc2[nH]1)C(F)(F)F 34375879 ICUQBHIVWGFWAR-JOCHJYFZSA-N 423.450 5.828 0 1 HKAF CCC[C@@H](Nc1cncc(-c2ccc(CN3CCC(O)CC3)cc2)n1)c1ccccc1 36409767 TTZVEPTUSLPUJG-XMMPIXPASA-N 416.569 5.054 0 1 HKAF Cc1cccc(CSc2nnc(-c3ccccc3COc3ccccc3C)o2)c1 64453423 IFJHKXNKIIFMMS-UHFFFAOYSA-N 402.519 6.225 0 1 HKAF CCCCCc1cc(=O)oc2c(C(=O)[C@@H](C)CC)c(O)c(CC=C(C)C)c(O)c12 66114574 HHPBGHOULCFTMR-HNNXBMFYSA-N 400.515 5.674 0 1 HKAF biogenic CC(C)=CCN1C(=O)[C@]2(O[C@@H](C)CC3=CCC[C@@H]32)c2c(Br)cccc21 66166772 WNIVGPRDFFPVKC-WDUKFBBWSA-N 402.332 5.102 0 1 HKAF CC[C@@H](C)CN[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC)CC[C@]4(C)[C@H]3CC[C@]12C 72134966 BFJBAMHNODMFFF-IYRXCREHSA-N 401.679 6.605 0 1 HKAF CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)NCc2ccccc2)c1-3 72176085 KLYJLIQACDTALL-HSZRJFAPSA-N 412.533 5.508 0 1 HKAF O=C1Nc2ccccc2[C@H]1[C@@H](C(=O)c1ccccc1)c1c[nH]c2ccc(Cl)cc12 73139221 WIHJWZSQXPIACN-VXKWHMMOSA-N 400.865 5.524 0 1 HKAF CC1=C(/C=C/C2=NN(c3ccccc3)[C@H](c3cccc(Cl)c3)C2)C(C)(C)CCC1 95590841 FPCVHUKPVPEAOP-MIFWMJNYSA-N 404.985 7.730 0 1 HKAF CN(C(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O)c1ccccc1 96924198 IDVVRBAAQKVASM-UHFFFAOYSA-N 421.305 6.088 0 1 HKAF C[C@@]12C[C@H](c3ccccc3O1)N(C(=O)c1cccc(F)c1)C(=S)N2c1ccccc1 100289462 RNBGNJKSQFSSMX-YKSBVNFPSA-N 418.493 5.313 0 1 HKAF CCCCCn1cc(C(=O)NC23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)c(=O)c2ncccc21 101152512 CTDUCEQBFQKBBS-VFNQFOGHSA-N 421.585 5.066 0 1 HKAF C[C@@H](c1ccc(-c2ccncc2)cc1)N1CC[C@](CCCO)(c2ccccc2)OC1=O 114917204 BDJBAMOTTYYCEK-RXFWQSSRSA-N 416.521 5.320 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2cncs2)c1 167131138 ACRPTJULOPXGFI-SFHVURJKSA-N 408.523 5.081 0 1 HKAF Fc1ccccc1-c1nc(NCc2ccc(-c3cccnc3)cc2)c2ccccc2n1 169302909 MGHORTOKORHTFC-UHFFFAOYSA-N 406.464 6.110 0 1 HKAF O=C1c2cc(/C=C/c3ccc(C(F)(F)F)cc3)ccc2OCCN1Cc1ccccc1 205823492 BLUNPTAYXGVJEO-VOTSOKGWSA-N 423.434 5.911 0 1 HKAF CC1=C(O)/C(=C/[C@@H](C)CC/C=C(\C)CCCc2cocc2Cc2ccoc2)OC1=O 238765271 MJYPSIYCHMFNCW-OWCWDOIGSA-N 410.510 6.421 0 1 HKAF C[C@@H](CN1CCCC[C@H]1CC1CCCCC1)c1cccc(C(=O)c2ccccc2)c1 253634459 NVCHWGDAUAEPHA-CUNXSJBXSA-N 403.610 6.846 0 1 HKAF CC1(C)C(=O)CC[C@]2(C)[C@@H]3CC[C@@H]4[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 255247430 NOLGXQBEFHYZHI-VVBAWIGMSA-N 414.630 6.336 0 1 HKAF Cc1ccc(NC(=O)c2[nH]cnc2C(=O)Nc2ccc(C)cc2-c2ccsc2)cc1 299827812 PIMRSICXNHOVSI-UHFFFAOYSA-N 416.506 5.260 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586915621 GEINQNFTBOXFHC-ORAYPTAESA-N 408.807 5.452 0 1 HKAF Cc1ccc2c3c(cc(-c4cccc(CCCCF)c4F)nc13)-c1ccccc1C2=O 586996286 RALMXSWXHZRGKJ-UHFFFAOYSA-N 413.467 6.853 0 1 HKAF COC(=O)c1ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c1 587015254 IVFAMXBSSWLFBR-UHFFFAOYSA-N 404.278 5.447 0 1 HKAF Clc1ncc(Br)c2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 587022310 PRDVOSGKYFVRRW-UHFFFAOYSA-N 405.708 5.088 0 1 HKAF Cc1ncsc1CCc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587026802 JDNCBSUDBHHSEY-UHFFFAOYSA-N 408.365 5.300 0 1 HKAF COc1cc(/C=C/c2nc3cccc(C(F)(F)F)c3[nH]2)cc(Cl)c1OCC(C)C 587046288 FCXRKACKIAGFBX-BQYQJAHWSA-N 424.850 6.449 0 1 HKAF Cc1cc(Br)c2[nH]c([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc2c1 587218542 JMQDLRRCBXXHPQ-IBGZPJMESA-N 420.310 5.153 0 1 HKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 587239120 VGPXBKBXBLPDIE-UHFFFAOYSA-N 414.406 6.330 0 1 HKAF C[C@@]1(CCc2c(F)cccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330255 GKOXFVYHDQHJTK-UPVQGACJSA-N 412.407 5.560 0 1 HKAF C[C@]1(c2c(Cl)nc3ccccn23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331929 RDMSWEGNSLMEBP-XXBNENTESA-N 422.843 5.107 0 1 HKAF COc1ccc([C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587355231 WXKDWAFYWUQOIW-ILBGXUMGSA-N 404.437 5.204 0 1 HKAF COc1cccc(-c2c(C(C)C)c(Cc3ccccc3)nc3c2oc2ccccc23)c1 587366591 WOMSHXXUUHCZEO-UHFFFAOYSA-N 407.513 7.371 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](Cc2ccccc2)CC3)c1 587366846 NMQABRZONIVQGF-FQEVSTJZSA-N 419.524 7.004 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(Cl)c(Cl)cc3c1OCCO3)CC2=O 587460868 HFEJDHLIWFNYEC-OAQYLSRUSA-N 423.292 5.303 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1cccc(F)c1)CC2=O 587467786 RXYJPHALZWMHAY-XMMPIXPASA-N 410.872 6.046 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3nc4ccccc4n3C)o1)CC2=O 587475057 KRQPNRRLPYPFNA-QFIPXVFZSA-N 402.450 5.198 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccccc3C)cc1)CC2=O 587477148 FPUJRPWNMFMKSJ-RUZDIDTESA-N 402.490 5.939 0 1 HKAF CCCc1c(O)ccc2c1OC1(CC2=O)CN(C(c2ccccc2)c2ccccc2)C1 587480837 WOCBPISKFHNDBF-UHFFFAOYSA-N 413.517 5.154 0 1 HKAF Cn1nc(-c2ccccc2)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl 587503883 ZSTQRMKYLJGDRG-XMMPIXPASA-N 406.913 5.500 0 1 HKAF CCOC(=O)[C@H](Cc1cccc(C)c1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525652 QSLSHQBSOIGMQU-BKMJKUGQSA-N 406.522 5.020 0 1 HKAF Cc1ccc(-n2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c(C)c1 587577297 NACATASUWUMHFS-BVAGGSTKSA-N 411.457 5.503 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c1oc1ccccc12 587617530 QAHRBJPURSISIH-NVQXNPDNSA-N 408.409 5.995 0 1 HKAF Cc1ccc(O)c(C(=O)c2c(-c3ccc(Cl)cc3)[nH]c3c(C)cc(Cl)cc23)c1 587624431 LZAYYPBYGKZMFD-UHFFFAOYSA-N 410.300 6.695 0 1 HKAF CCOC(=O)c1c(-c2cc(F)cc(Br)c2)[nH]c2c(C)cc(Cl)cc12 587624776 RAYSDJVDOKXOTC-UHFFFAOYSA-N 410.670 5.875 0 1 HKAF O=Cc1ccc(Oc2c(-c3ccc(Cl)c(Cl)c3)[nH]c3cccc(F)c23)cc1 587632728 JJLZUVUOUWVHAM-UHFFFAOYSA-N 400.236 6.886 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c([C@@H](C(=O)O)c3cccc(Cl)c3)c2c1 587642188 QMOIUJSZPQBKEK-HJPURHCSSA-N 417.936 7.218 0 1 HKAF O=C([C@H](Sc1ccccc1)c1ccccc1)n1ncc2ccc(Cl)cc2c1=O 587655294 ZTSLJQKODCJRPD-HXUWFJFHSA-N 406.894 5.224 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)cc2C(F)(F)F)N1 587709741 CLCINOBVLYRSFU-VVVCHXIZSA-N 418.228 5.110 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2CCCCF)N1 587720666 TYWQARHHRYSHOC-SPLOXXLWSA-N 408.330 5.678 0 1 HKAF COC(=O)c1cc2nc(-c3c(C)cccc3OC)[nH]c2c(F)c1Nc1ccccc1 587787520 WSKCAYFIZNEMLN-UHFFFAOYSA-N 405.429 5.216 0 1 HKAF COc1ccc(C)c2c1CCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587804257 AJNNOMDCAIMOKY-LRTDBIEQSA-N 404.323 5.019 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C3CCCCC3)cc2)N1 587816356 WWOROQASMRBZME-WNSKOXEYSA-N 416.378 6.434 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCC3)Oc3ccccc32)N1 587837684 KGWKHVUXJGOOAO-ZSEKCTLFSA-N 402.307 5.071 0 1 HKAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(Br)c(F)c(F)c2[nH]1 587934258 HCKJSOIAMQWXLR-UHFFFAOYSA-N 405.242 5.185 0 1 HKAF Cc1cccc2c([C@H]3c4ccsc4CCN3Cc3cccnc3)c(C(C)(C)C)[nH]c12 963000017 TWNBOESAHBLLSO-XMMPIXPASA-N 415.606 6.378 0 1 HKAF Cc1sc2c(c1C)CCN[C@]2(CCc1cccc(F)c1)c1ccc(Cl)cc1F 963012438 QENDTCFRXJIGGH-HSZRJFAPSA-N 417.952 6.319 0 1 HKAF CN1C(=O)C[C@@H]2CN[C@H](c3ccc(-c4cccc(Cl)c4Cl)o3)c3cccc1c32 963020297 FIBHIUUKNOYKTA-IPQOISQHSA-N 413.304 5.396 0 1 HKAF CC1(C)Cc2nc(Cl)cc(Cl)c2[C@@]2(C1)c1ccc(F)cc1C[C@H]1CCCN12 963106178 QYARSFNCUBSQJQ-IVZQSRNASA-N 405.344 5.764 0 1 HKAF c1ccc(CCCCN2CCCN(Cc3ccccc3)[C@H](Cc3ccccc3)C2)cc1 1772604369 VESNCIYOISMLBP-GDLZYMKVSA-N 412.621 5.829 0 1 HKAF CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 1772626415 GOBMOKARRFVQQW-UHFFFAOYSA-N 417.956 5.778 0 1 HKAF C[C@H](CCC=C1CC1)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H](O)CC[C@]45C[C@]35CC[C@@]12C 1857571432 JPBYBCDJWOLHTR-BULJYPRHSA-N 424.713 7.923 0 1 HKAF Fc1cccc(COc2ccc(Nc3ncnc4cc(F)c(F)cc34)cc2Cl)c1 1857583852 GLVYOTIJJGEDAM-UHFFFAOYSA-N 415.802 6.023 0 1 HKAF O=C(Nc1ccccc1)[C@@H](Sc1nc2cc(Cl)ccc2s1)c1ccccc1 1857590358 CQOBAADMKFQPSV-IBGZPJMESA-N 410.951 6.422 0 1 HKAF CN(C)C(=O)CCc1cccc(-c2nc3c[nH]c4nccc-4c3n2C2CCCCC2)c1 1857638102 IHSQACMBNJLHRN-UHFFFAOYSA-N 415.541 5.057 0 1 HKAF CCCN1CCC(N(Cc2ccncc2)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 1857643001 HCPLIVORBBHGON-UHFFFAOYSA-N 420.479 5.009 0 1 HKAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]32)C1 1857742979 ORPDGDBKUOHGBE-OMFSDFRDSA-N 401.723 7.696 0 1 HKAF CC(C)=CCCC(C)=CCC[C@]1(C)Oc2c(Cl)c(C)c(C=O)c(O)c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c1cc2c(cc1O)OC[C@@H]1c3cc4c(cc3O[C@H]21)OCO4 2356565664 GWPLWWRLEHMIPE-FQRUVTKNSA-N 420.505 5.966 0 1 HKAF COc1cc2c(c(C)c1C)O[C@@](C)(CCC=C(C)CCC=C(C)CCC=C(C)C)CC2 2356696671 KGMRWPGSRWJUKG-LJAQVGFWSA-N 424.669 8.595 0 1 HKAF C[C@H](CO)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356732687 OQIJRBFRXGIHMI-XCYDUWECSA-N 420.678 5.412 0 1 HKAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3cc(C(F)(F)F)[nH]n3)CC[C@H]12 38150988 VDGOOKRFIJJCSX-ALFTYZJRSA-N 410.524 5.916 0 3 HKAF CN1OC[C@@H]2CN(C(=O)C(C)(C)C)[C@H](c3ccc(-c4cc5ccccc5o4)cc3)C[C@@H]21 61924007 XFZKUGIATMAKQB-FKBYEOEOSA-N 418.537 5.281 0 3 HKAF N[C@@H](Cc1ccc(Cl)cc1)c1csc(Nc2cc(Oc3ccccc3)ncn2)n1 61928517 WHNYKUZKGXEVTK-KRWDZBQOSA-N 423.929 5.365 0 3 HKAF Fc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2Cc2ccccc2)cc1 95602072 SOCNAMIBIAWHFK-UHFFFAOYSA-N 404.794 6.403 0 3 HKAF CCC(=O)N(c1ccccc1)C1(c2ccccn2)CCN(CCc2ccccc2)CC1 597136 YIHPUVNDPPAYDZ-UHFFFAOYSA-N 413.565 5.059 0 1 HKAF COc1ccc(OCc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1 1650208 NUPDXNKQHOAJIA-UHFFFAOYSA-N 410.395 5.903 0 1 HKAF CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl 4296355 KPPBZGIBVMVMQU-IEBWSBKVSA-N 409.288 5.141 0 1 HKAF CC(C)=CCn1c2c(ccc1=O)[C@@H](NCCc1cc(Cl)ccc1Cl)CCC2 13743304 KFHMSZURQLIYFX-FQEVSTJZSA-N 405.369 5.331 0 1 HKAF Cc1cccc(C)c1C(OC[C@@H](O)CN1[C@@H](C)CCC[C@H]1C)c1c(C)cccc1C 40640633 HQNAZSBHKFCMGR-VXNXHJTFSA-N 409.614 5.650 0 1 HKAF CC(C)CNc1cc(/C=C/c2ccccc2)nc(NCc2cccc3ccccc23)n1 40954413 VVKHSRHPWXHLAZ-FOCLMDBBSA-N 408.549 6.480 0 1 HKAF Fc1ccc2nc(-c3ccc(-c4ccc(CNC[C@H]5CCCO5)cc4)cc3)[nH]c2c1 45203033 GFQQWZFLEPDOSL-JOCHJYFZSA-N 401.485 5.305 0 1 HKAF CO[C@@H]1OCC2=CC[C@H]3[C@]4(C)CC[C@H]5C(C)(C)CCC[C@]5(CO)[C@H]4CC[C@]3(C)[C@H]21 45286698 QZOGSLSUTNSYEO-WAEZVMSBSA-N 402.619 5.573 0 1 HKAF O=C1OC2(CCC(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccn1 64559475 GUXLIRBXKZUWHG-UHFFFAOYSA-N 416.403 5.030 0 1 HKAF c1ccc(CN2CCC(CCc3noc4cc(C5CCCCC5)ccc34)CC2)cc1 66103911 ATASLUKKLHOVPH-UHFFFAOYSA-N 402.582 6.720 0 1 HKAF CN(Cc1ccccc1)Cc1cccc(CNc2ccnc3cc(Cl)ccc23)c1 68201381 KRBUJCVQKVLUHL-UHFFFAOYSA-N 401.941 6.132 0 1 HKAF CCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(CC)(c5ccccc54)[C@H]3C2=O)cc1 68588148 BOFBVEYGRYDFAQ-QDBPJBAASA-N 423.512 5.046 0 1 HKAF biogenic C[C@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2ccc(C(C)(C)C)cc2)nn1 84669191 XGPGLEDWYMNSMT-QGZVFWFLSA-N 411.574 7.220 0 1 HKAF CCN(CC)CCC[C@@H](C)/N=c1\cc(-c2ccccc2)sc2ccc(Cl)cc12 169316295 HAIRYSXQKDZVOG-CUBIIZMHSA-N 413.030 6.633 0 1 HKAF c1ccc(CN2[C@@H](c3ccccc3)C3=C(NO[C@@H]3c3ccccn3)[C@H]3CCCC[C@@H]32)cc1 195451799 JJQHRZMERXCEHL-JPQYBODWSA-N 423.560 5.728 0 1 HKAF CC1=CCC[C@H]2[C@@]1(C)CC[C@@H](COC(=O)CCC(=O)O)[C@]2(C)CCc1ccoc1 238777959 VMJXBULAZAIARU-TZYAJKAJSA-N 402.531 5.399 0 1 HKAF CC(C)=CCc1cc(CCC(=O)c2c(O)cc3c(c2O)CCC(C)(C)O3)ccc1O 299839873 TWJXTJFWKWMZRY-UHFFFAOYSA-N 410.510 5.231 0 1 HKAF biogenic,in-vitro CC(C)Oc1ccc([C@H]2CCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)cc1 586989381 GUZOUMONGVYFPL-GOSISDBHSA-N 421.496 6.017 0 1 HKAF Cc1ccc2c3c(cc(CC(=O)Nc4ccc(Cl)cc4)nc13)-c1ccccc1C2=O 586994390 ZUCWUAAAMWTWEG-UHFFFAOYSA-N 412.876 5.589 0 1 HKAF Cc1cc(Br)cc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc12 587022869 BQXGYUSLERNSMB-UHFFFAOYSA-N 409.309 5.104 0 1 HKAF COc1cccc(-c2ccc(-c3nc4ccnc(Br)c4[nH]3)c(Cl)c2)c1 587052276 MJORNCMJFWMJRK-UHFFFAOYSA-N 414.690 5.716 0 1 HKAF Fc1cc(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)ccc1-c1ccccc1 587144824 BZFZSNICEPPUEA-UHFFFAOYSA-N 404.794 6.632 0 1 HKAF CCCC[C@H](C(=O)OCC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349696 QKLGCEOLDMCBHF-NHCICSSKSA-N 414.473 5.018 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CS[C@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1 587376227 PDKMJKZMIASBDL-JAXLGGSGSA-N 412.507 5.569 0 1 HKAF Cc1sc(N)c([C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587376251 PFOXYJPIMFZBTO-QPPBQGQZSA-N 423.509 5.456 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(Br)ccc3ccccc13)CC2=O 587457127 FQGGJSXPXUNXRW-FQEVSTJZSA-N 411.295 5.967 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1Oc1ccc(Cl)cc1)CC2=O 587462063 MZXPZQMEFGYRQG-QHCPKHFHSA-N 408.881 6.497 0 1 HKAF O=C1C[C@@H](c2cnn(-c3cccc(Br)c3)c2)Oc2c1ccc1c2CCCC1 587495954 FZXCQQWJTLWXLD-NRFANRHFSA-N 423.310 5.220 0 1 HKAF C[C@]1(c2ccccc2OCc2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501882 AKYQURDUOSKXCJ-HHHXNRCGSA-N 416.492 6.164 0 1 HKAF CC(C)Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587503508 OPVVJTUFRKHCGA-NRFANRHFSA-N 415.327 5.822 0 1 HKAF Cc1nc(Nc2ccc(F)cc2)sc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587510852 XOTHVLCQXCWOPN-DEOSSOPVSA-N 422.525 6.094 0 1 HKAF CCCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587580059 WWNNSMKCDXZXJZ-OZXSUGGESA-N 413.473 5.850 0 1 HKAF CC(C)COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587593117 CIQKNAMVFIVHBT-WIOPSUGQSA-N 404.462 5.304 0 1 HKAF CCCOc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 587595240 KKKQXEPXPMAUGZ-OZXSUGGESA-N 416.473 5.373 0 1 HKAF COc1ccc2c(c1)[C@]1(CCCS2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619918 VSVKKUKXYXWNIC-URXFXBBRSA-N 420.486 5.144 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(C(F)(F)F)N1 587712168 ZSGVPUXRDUPNTA-XXFAHNHDSA-N 422.647 5.582 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)c(Cl)cc2F)N1 587714426 FMEUNVRNJRVCHC-RBHXEPJQSA-N 421.112 5.832 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(F)cc3F)o2)N1 587723690 BRNWQPWTSSDBEL-CFMSYZGJSA-N 422.244 5.750 0 1 HKAF CCOc1ccccc1OCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587779870 HOUHDFYQRBLEPO-UHFFFAOYSA-N 404.310 5.578 0 1 HKAF CCC[C@H](CC1(c2nc3c(C)nccc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782012 OTUWYZAHBWTPJT-HXUWFJFHSA-N 405.542 5.628 0 1 HKAF CCO[C@H](C)c1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587794734 POEZXCMRXIDEIT-QTCYRWPVSA-N 406.339 5.483 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccccc2)N1 587811050 MLGQTEBLTZCODD-JLCFBVMHSA-N 412.302 6.004 0 1 HKAF Fc1ccc(-c2noc(-c3cccnc3-n3nc4cc3Oc3ccc(F)cc3-4)n2)cc1 587874247 ZIDLXVQAJARADZ-UHFFFAOYSA-N 415.359 5.035 0 1 HKAF COc1ccc(C2(c3nc4cc(C)cc(Br)c4[nH]3)CC3(CCC3)C2)cc1 587935334 IHWQZOIPBFUWQL-UHFFFAOYSA-N 411.343 5.893 0 1 HKAF CN1N=C2c3ccccc3O[C@H](c3ccccc3)[C@H]2[C@H]1c1ccc(Br)cc1 653900986 ZWMJACAHTSXEKX-YMPZKCBVSA-N 419.322 5.590 0 1 HKAF COc1ccc([C@@]2(c3cc4cccc(OC)c4o3)NCCc3ccc(F)c(C)c32)cc1 962373757 IZNRMFKXWVSZFF-SANMLTNESA-N 417.480 5.335 0 1 HKAF COc1cc2c(cc1OC)[C@@](c1ccc(C)c(C)c1)(c1cccs1)N(C)[C@@H](C)C2 962564342 GTJHODSXGJUUIY-BVZFJXPGSA-N 407.579 5.550 0 1 HKAF COc1cc2c(cc1OC)[C@](C[C@H](C)CC(C)(C)C)(c1ccccn1)N(C)[C@@H](C)C2 962617852 CPBLDHHFDJGKGP-UYXZNNOOSA-N 410.602 5.681 0 1 HKAF Fc1cc(Br)c2c(c1)[C@]1(CC2)NCCc2cccc(-c3ccccc3)c21 962675604 XOIFXONSDSMIIH-QHCPKHFHSA-N 408.314 5.591 0 1 HKAF COc1cc2c(c3c1C(=O)C[C@H](c1ccc(O)cc1)O3)C=C[C@](C)(CCC=C(C)C)O2 1857546564 PVXFFZCURJBGCG-RLWLMLJZSA-N 420.505 6.018 0 1 HKAF CCCCCCN=c1[nH]c(SCc2ccc(C(F)(F)F)cc2)nc2ccccc12 1857606413 IVYZTUTYABVXRN-UHFFFAOYSA-N 419.516 6.355 0 1 HKAF O=C(NOCc1ccccc1Cl)c1cn(-c2ccccc2)nc1-c1ccccc1 1857607355 AIPXICVIDXWSKW-UHFFFAOYSA-N 403.869 5.054 0 1 HKAF COCCn1cc(-c2csc(-c3cn(C)c4ccc(F)cc34)n2)c2cccnc21 1857639907 XZPGFLOCLBDJQK-UHFFFAOYSA-N 406.486 5.104 0 1 HKAF CC(C)(C)c1cc(-c2nccc3c(Nc4ccc(F)c(Cl)c4)c(N)oc23)ccn1 1857652648 ODPNRWJAAAYBBF-UHFFFAOYSA-N 410.880 6.306 0 1 HKAF O=C(N[C@@H](Cc1ccccc1)c1ncccc1C(F)(F)F)c1ccc2cccnc2c1 1857769227 BINBGFMPJSQVDS-NRFANRHFSA-N 421.422 5.362 0 1 HKAF CC(=CC[C@@H]1OC(=O)C=C1C)CC[C@@H]1[C@](C)(O)CC[C@@H]2[C@](C)(C(=O)O)CCC[C@@]12C 2356458195 IYKWRWFFFLJWCZ-SIIVMBIDSA-N 418.574 5.033 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@](C)(CC[C@H](C)CC(=O)O)[C@@H]2CCC[C@](C)(O)[C@]21C 2356604980 MQPZZRJJCAGMTC-RJRWTXBJSA-N 422.606 5.359 0 1 HKAF COc1cccc(-c2coc3cc(OCC=C(C)CCC=C(C)C)ccc3c2=O)c1 2356683327 QNJUZBMRFNFNHH-UHFFFAOYSA-N 404.506 6.540 0 1 HKAF O=C(NC1CCCCC1)c1c(-c2ccccc2F)noc1-c1ccc(F)cc1Cl 2482361 AOCRDFDQVFHZIM-UHFFFAOYSA-N 416.855 6.003 0 1 HKAF CC(=O)c1c(C)c(C)c(O)c([C@@H](CCCCCC(=O)O)c2ccc(F)cc2)c1C 11686249 UCQJXQXTSXMEDP-FQEVSTJZSA-N 400.490 5.826 0 1 HKAF CC1(C)C=C([C@@]23C=C[C@@H](C2)[C@H]2C(=C4CC(C)(C)NC(C)(C)C4)C=C[C@@H]23)CC(C)(C)N1 13562429 YPNNEKSEHNACRE-IFSSTPPCSA-N 406.658 6.079 0 1 HKAF COc1cc(OC)c(CC=C(C)C)c(-c2cc3ccc(O)cc3o2)c1CC=C(C)C 14610506 CHDJBHWCUVZCGP-UHFFFAOYSA-N 406.522 6.840 0 1 HKAF biogenic,in-vitro CC(C)=CCc1c(O)ccc([C@H]2COc3c(ccc(O)c3CC=C(C)C)C2=O)c1O 14780891 XQNULGVMJUJZML-HXUWFJFHSA-N 408.494 5.180 0 1 HKAF biogenic,in-vitro CC(C)C1CCC(N2CCC(C(=O)NCc3ccccc3)(c3ccccc3)CC2)CC1 14977320 TZINXQGFSMEYPR-UHFFFAOYSA-N 418.625 5.551 0 1 HKAF CCc1ccc([C@@H]2C=CCN[C@@H](c3ccccc3)C(=O)N2Cc2ccc(C)cc2)cc1 17861954 XYEJQXMGABTASH-SVBPBHIXSA-N 410.561 5.528 0 1 HKAF COc1ccc(CO[C@@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1 27548201 ZMPIAJWCWPGMEU-WUFINQPMSA-N 413.561 5.507 0 1 HKAF COC(=O)c1cccc(-c2ccc3c(c2)CN(C(C)=O)c2ccc(Cl)cc2CC3)c1 28571995 JVFNIOTVVPMJQP-UHFFFAOYSA-N 419.908 5.445 0 1 HKAF Cc1cn2c(/C=C3/C(=O)Nc4ccc(O)cc43)c(-c3ccc(Cl)cc3)nc2s1 40422842 NLMZJILKTCBQGM-CXUHLZMHSA-N 407.882 5.223 0 1 HKAF O=C(c1ccc(O)cc1)c1oc2ccccc2c1-c1ccc(-c2ccc(O)cc2)cc1 40901557 QVLQPNSLXBGWGI-UHFFFAOYSA-N 406.437 6.409 0 1 HKAF O=C(CSc1nc2ccccc2[nH]1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 43120515 DTJJJWRYNITGPM-JOCHJYFZSA-N 412.518 5.033 0 1 HKAF O[C@@H]1CCCN(Cc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)s3)cc2)C1 45230629 AQIKCLRUTHNJGE-GOSISDBHSA-N 407.514 5.054 0 1 HKAF COc1ccc(/C(=C/c2ccc(OC)c(O)c2)c2cc(OC)c(OC)c(OC)c2)cc1 64744217 VROISCGYNQKHKF-NDENLUEZSA-N 422.477 5.024 0 1 HKAF CCC[C@@H](CC(=O)O)n1ccc(-c2ccc(OC)cc2)c1-c1ccc(C(N)=O)cc1C 71281936 UWKDOZUAOSMAJC-IBGZPJMESA-N 420.509 5.054 0 1 HKAF O=C(c1cc2ccccc2o1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1Cl 71330109 GLWABHDWOOOXCB-NRFANRHFSA-N 418.855 6.217 0 1 HKAF COc1ccc(-c2cc(COC[C@]3(C)C=Cc4c(C)c(O)c(C)c(C)c4O3)on2)cc1 72113594 DRSXEYJDSFMYPQ-VWLOTQADSA-N 421.493 5.362 0 1 HKAF FC(F)(F)c1cccc(N2CCN(Cc3coc(-c4ccccc4Cl)n3)CC2)c1 72184489 QSUONEPKVFGXGA-UHFFFAOYSA-N 421.850 5.336 0 1 HKAF CCCCNC(=O)c1cnc(NCC2CC2)nc1-c1ccc(-c2ccccc2)cc1 82153201 KSEJLOKPMAFYNU-UHFFFAOYSA-N 400.526 5.162 0 1 HKAF Cc1ccccc1-c1nc(NCCc2cccc(F)c2)ncc1-c1nc(C)c(C)s1 82177564 VKQTZLYSEFEPRU-UHFFFAOYSA-N 418.541 5.986 0 1 HKAF CC[C@H](C)Cn1c(-c2cccnc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82184969 HFNNLQQJDHGSIK-HNNXBMFYSA-N 406.921 5.200 0 1 HKAF CCCCCNC(=O)[C@H](CCSC)Nc1nc(-c2cc3ccccc3o2)cs1 82197887 MEAKLVKSOKQEHX-INIZCTEOSA-N 417.600 5.396 0 1 HKAF O=C(c1nccnc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccccc21 95579722 BVJGNHRLBSXPEY-UHFFFAOYSA-N 400.265 5.169 0 1 HKAF Cc1cccn2c([C@@H]3C=C(c4ccc(F)cc4)NC(=S)N3)c(-c3ccccc3)nc12 95585992 WCVQJNFXEKXMAW-FQEVSTJZSA-N 414.509 5.009 0 1 HKAF CCCCN(CCCC)c1cc(C)[nH]c2c(-c3ccc(Cl)cc3Cl)nnc1-2 100885613 CRVSGTLQRSKOSN-UHFFFAOYSA-N 405.373 6.598 0 1 HKAF O=C(N[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3ccccc3F)c2)CC1)c1ccccc1 140253139 LTWJKLJPPJDNGM-XUTJKUGGSA-N 416.496 5.420 0 1 HKAF O[C@H]1CC=C(c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CC1 142982030 SBLAKZXXCMPURN-SFHVURJKSA-N 415.518 6.155 0 1 HKAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)Nc2ccc(F)cc2)cn1 143225143 YEUILAQZGLYAOV-UHFFFAOYSA-N 403.413 5.015 0 1 HKAF c1ccc(CCCN2CCC(COc3nc4ccsc4n4cccc34)CC2)cc1 169329281 GTRPICMMMNIFBO-UHFFFAOYSA-N 405.567 5.273 0 1 HKAF CC(C)N(C[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C(C)C 231207170 SEFZQCNXQNFPKL-OAHLLOKOSA-N 408.386 5.425 0 1 HKAF C/C=C(/C)[C@H](O)[C@@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1nc(OC)c(OC)c(O)c1C 238750126 BBLGCDSLCDDALX-DKZOCRQGSA-N 415.574 5.457 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@H]3[C@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 255197585 BADUKLRFTFBRSD-KIQGSPDHSA-N 415.662 5.760 0 1 HKAF CC(C)C[C@H](O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC[C@@]21C 255249750 NXLPNFCDYLPKSA-KONACNDTSA-N 418.662 5.330 0 1 HKAF CCOC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc(C(F)(F)F)cc1Cl 473093377 TWSAHPKNZDHIRR-UHFFFAOYSA-N 422.186 5.800 0 1 HKAF CC1(C)COc2c(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)cccc21 586910769 BAFXYVCGCVAJFM-UHFFFAOYSA-N 411.221 5.681 0 1 HKAF COc1cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1Cl 586958175 DTGHGOSYKQAXQJ-MUUNZHRXSA-N 410.926 5.263 0 1 HKAF N[C@H](Cc1cccc(Br)c1)c1nc2cccc(OCc3ccccc3)c2[nH]1 586984857 VNQUWAWRXAOOAD-GOSISDBHSA-N 422.326 5.147 0 1 HKAF Cc1c(Cc2ccc(Cl)cc2Cl)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586992680 ISAQGYXETWTTLG-UHFFFAOYSA-N 418.323 6.961 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(SC(F)F)cc4)nc13)-c1ccccc1C2=O 586995419 KBGVJSIXBIDHEW-UHFFFAOYSA-N 403.453 6.736 0 1 HKAF Cc1cncc2[nH]c(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCC4)nc12 587031035 NUQGUPZEFFRUKI-UHFFFAOYSA-N 408.914 5.389 0 1 HKAF c1ccc(COc2cccc3[nH]c(-c4c(-n5cccc5)sc5c4CCC5)nc23)cc1 587031970 DDCGRDZGYVGSRF-UHFFFAOYSA-N 411.530 6.150 0 1 HKAF C[C@H]1CCc2sc(-c3nc4c(Br)cc(C(F)(F)F)cc4[nH]3)cc2C1 587033603 KHSBNWYSCPUUQV-QMMMGPOBSA-N 415.278 6.198 0 1 HKAF COc1cc2nc(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2cc1OC 587046925 PJHYGKVPAJGUFY-VOTSOKGWSA-N 416.905 5.447 0 1 HKAF Cc1cc(Br)c2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc2c1 587063403 UQQOUHPUKBXELP-UHFFFAOYSA-N 411.730 6.545 0 1 HKAF Cc1c(Cl)ccc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 587072303 QQRZRQJFNOTBHW-MYHJQVBBSA-N 405.756 7.198 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587073371 DBQWWCRNTJNPAE-UHFFFAOYSA-N 404.794 7.017 0 1 HKAF Cc1ccccc1-n1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cn1 587098769 WBIRKSUPLNODSM-UHFFFAOYSA-N 401.469 5.916 0 1 HKAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587109367 NNBSFJBPYPBLOC-UHFFFAOYSA-N 414.408 6.098 0 1 HKAF CCOc1cc(/C=C/c2nc3cc(Cl)nc(Cl)c3[nH]2)ccc1OC(F)F 587130464 MSDWVSITSGBGTK-GQCTYLIASA-N 400.212 5.435 0 1 HKAF Fc1ccc(/C=C(\c2nc3ccc(Br)c(F)c3[nH]2)c2cccs2)cc1 587164695 VIJKDCXHWLQIAE-RAXLEYEMSA-N 417.278 6.254 0 1 HKAF C[C@]1([C@@H]2C[C@@H]2c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331572 HYRRRWWQPVSKJS-NTNMUZRVSA-N 406.428 5.592 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(C1CC1)CC2=O 587457645 LXOWSOHKDWDZDO-OAQYLSRUSA-N 401.300 5.378 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OC(F)(F)F)c1F 587554104 HDWZQVUUDMWZGE-UZLBHIALSA-N 420.314 5.133 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(F)c(Cl)c1 587555998 IHLUUEQJTSTRRR-OXQOHEQNSA-N 405.208 5.541 0 1 HKAF CC[C@]1(c2c(F)ccc(F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557805 OOINJPGUSGKOCK-PGRDOPGGSA-N 400.352 5.077 0 1 HKAF C[C@]1(CC23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601437 FZPXXTHZYCWGGO-URTZZIPWSA-N 404.506 5.719 0 1 HKAF C[C@@]1(CCc2ccc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613450 OXJDZAYUXFVEHR-NQIIRXRSSA-N 400.883 5.460 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3cccs3)c(C(=O)C(F)(F)C(F)(F)F)c2c1 587643189 ZMUZEPANOAFKRV-JTQLQIEISA-N 401.400 6.790 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2ccccc2Cl)N1 587695357 JEKMPMNBCXWPDT-GIGQVBGESA-N 420.713 5.255 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(C(F)(F)F)cc32)N1 587714956 QICUCSXVPFBRGL-MLCYQJTMSA-N 414.240 5.331 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc(C(F)(F)F)cc2F)N1 587715253 XQJXFCPDDQBEDH-GYKQLYQFSA-N 424.182 5.509 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2c(F)cccc2Cl)N1 587722106 QTBDQFYBSUVRDS-MGNBDDOMSA-N 400.694 5.589 0 1 HKAF CC(C)n1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587758541 QNPBNKNDZIBZME-ZSEKCTLFSA-N 401.323 5.747 0 1 HKAF CCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CC 587791851 ISDXUFAVBQGMFD-ZSEKCTLFSA-N 406.339 5.563 0 1 HKAF COc1ccc2c(c1)C(C)(C)C[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587809892 RKXXIWCNZGHNQE-QKVFXAPYSA-N 404.323 5.056 0 1 HKAF CC(C)[C@]1(CSc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587842806 GNSJLEDFIDOSEV-XOBRGWDASA-N 408.380 5.766 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cscc2Br)N1 587856252 XBJHWXDFKWQIOQ-NXSYQRQQSA-N 405.130 5.036 0 1 HKAF COc1ccc2c(c1)C[C@@H](c1nc3cc(OC(C)C)c(Br)cc3[nH]1)CC2 587934624 KKRHGHUOXFZFFK-AWEZNQCLSA-N 415.331 5.394 0 1 HKAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 587936704 LQHGGRWUGGTZRN-RCDICMHDSA-N 415.518 5.685 0 1 HKAF CC/C(=C\c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1)c1ccc(C)cc1 587965530 BNJPWCVCYLTBIV-OBGWFSINSA-N 412.489 6.401 0 1 HKAF COc1ccc2c(c1)[C@@]1(C[C@H](C)c3c(Br)cccc31)N(C(C)C)CC2 962088309 GAMJFKABCWFBGD-NYHFZMIOSA-N 400.360 5.475 0 1 HKAF COc1ccc2c(c1OC)[C@H](c1cc(C(C)(C)C)cc(C(C)(C)C)c1)N(C)[C@H](C)C2 962637743 TYXORDARRUGZNQ-OSPHWJPCSA-N 409.614 6.265 0 1 HKAF CC[C@H](c1ccc(OC)cc1OC)[C@]1(CC)NCCc2cc(-c3ccccc3)ccc21 962667909 WYJCOPFDMGDKCO-NAKRPHOHSA-N 415.577 6.316 0 1 HKAF C[C@]1([C@H]2CCCN(C(=O)OCc3ccccc3)C2)c2ccc(F)cc2C[C@@H]2CCCN21 963111819 ROUPVESSSQOXAD-KJOQGJGQSA-N 422.544 5.110 0 1 HKAF Fc1cccc2c1[C@H](c1cnn(Cc3ccc(C(F)(F)F)cc3)c1)N1CCC[C@@H]1C2 963114581 VTKZWNWZYQQLSJ-KNQAVFIVSA-N 415.434 5.199 0 1 HKAF CCCc1ccc(OCC(=O)N(CC(=O)Nc2ccc3ccccc3c2)C(C)C)cc1 1857553010 IJFICVWBCPQLOJ-UHFFFAOYSA-N 418.537 5.047 0 1 HKAF COc1ccc(CN2C(=O)C(=O)c3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1 1857653368 RKCYEFAWSDGUSD-UHFFFAOYSA-N 411.379 5.111 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(C)c(C=O)c(O)c(C/C=C(\C)CCC=C(C)C)c1O 1911583526 JSFLHXSQPRWFOM-NNFYUIBOSA-N 424.625 7.689 0 1 HKAF CC(=O)OCC1=C[C@@H](OC(=O)C=Cc2ccccc2)[C@@H](C(C)C)CCC(C)=CCC1 2356382448 AWKGANINHRSJDK-JWQCQUIFSA-N 410.554 5.894 0 1 HKAF COc1ccc(C(=O)[C@@H]2C(=O)O[C@](C)(CCC=C(C)CCC=C(C)C)[C@H]2C)c(O)c1 2356458357 KIPSERMYRVHHGN-QRJOEMBSSA-N 414.542 5.624 0 1 HKAF CC(=CCCc1coc(Cc2ccoc2)c1)CCC[C@H](C)C=C1OC(=O)C(C)=C1O 2356561517 GOKZWKYAKOVREM-SFHVURJKSA-N 410.510 6.421 0 1 HKAF CC[C@H](C)CCCCCCCCCCCCCOC(=O)[C@H](C)C[C@H](C)C[C@@H](C)CC 2356655669 KERNEYOYPKEBPM-GWMMUDDPSA-N 424.754 9.355 0 1 HKAF COc1ccc(-c2coc3cc(OCC=C(C)CCC=C(C)CO)ccc3c2=O)cc1 2356681038 CNRIAECCBMEHQF-UHFFFAOYSA-N 420.505 5.513 0 1 HKAF CC[C@H](CO)Oc1cc(NCc2ccc(Cl)cc2Cl)c2ncn(C(C)C)c2c1 61948994 IISHUILBGKMJJK-MRXNPFEDSA-N 422.356 5.686 0 3 HKAF CCCCN(CCCC)C[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2ccsc12 2005036 RTTXHLAUQPGEIO-NRFANRHFSA-N 423.544 7.009 0 1 HKAF CC(C)c1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@H](C)C(C)C)cc1 2481806 WRWDUAWGEYPLOM-MRXNPFEDSA-N 410.945 6.560 0 1 HKAF O=C(O)C[C@H](CCCCCCc1ccc2c(n1)NCCC2)c1cnc2ccccc2c1 13583236 KQJRVLULCJERGE-FQEVSTJZSA-N 417.553 5.739 0 1 HKAF CC1=CC[C@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C 14720213 CJRZLPSJKBMUPM-IJROPTHZSA-N 424.713 8.233 0 1 HKAF endogenous,in-man c1cc2[nH]c(-c3n[nH]c4cc(-c5cnsc5)ccc34)cc2cc1CN1CCCCC1 14949251 AXKZEVVSSSVTOD-UHFFFAOYSA-N 413.550 5.821 0 1 HKAF COC(=O)c1ccc(C(=O)Nc2cc(NC(=O)CCC3CCCCC3)ccc2C)cc1 27077040 VVMCJOXDFDNJSM-UHFFFAOYSA-N 422.525 5.333 0 1 HKAF Clc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3cccs3)C2)cc1 28061666 FCXONIMMFQRRES-HXUWFJFHSA-N 421.978 6.881 0 1 HKAF O=S(=O)(c1ccccc1)n1ccc2cc(/C=C\c3ccc4ccccc4c3)ccc21 28115755 IONXNKVJTJHEST-KHPPLWFESA-N 409.510 6.202 0 1 HKAF O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1 28330980 WEFBQZCZMPRNBJ-UHFFFAOYSA-N 415.324 5.181 0 1 HKAF O=C(NCc1ccccc1)c1cc2ccccc2o/c1=N\c1cccc(C(F)(F)F)c1 31904676 QDSBHGXWHAIFBK-FAJYDZGRSA-N 422.406 5.614 0 1 HKAF Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2cnc(OC(C)C)c(Cl)c2)s1 38147484 HQLLYIQEWOHZTJ-UHFFFAOYSA-N 417.918 5.033 0 1 HKAF CCC/C=C(\CCC)[C@H](NC(=O)Oc1ccc(F)cc1)c1ccc(C(=O)OC)cc1 38179257 IGYVXKNVIKZVEP-NSKACUHBSA-N 413.489 5.969 0 1 HKAF Cc1cc2c(cc1Br)N1Cc3cc(C)c(Br)cc3N(C2)C1 38280527 KSDXLOYYYODJQW-UHFFFAOYSA-N 408.137 5.126 0 1 HKAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC[C@@H](C)c3ccccc3)c2)[nH]1 40429854 WRAPVPKBUIEDNY-MRXNPFEDSA-N 418.541 6.215 0 1 HKAF CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 40865286 WEXWNRROBMKGAH-UHFFFAOYSA-N 418.443 5.345 0 1 HKAF CC(/C=C/C(=O)N[C@H](C)c1ccc(Br)cc1)=C\c1ccc2c(c1)OCO2 40914707 HSTFAWUWUHMPMP-YNRLPGKYSA-N 414.299 5.015 0 1 HKAF Cc1nn(-c2cc(Cl)cc(CCCN)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12 40973378 UFNNRSRJIBQSIO-INIZCTEOSA-N 419.960 5.447 0 1 HKAF CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccc(OCC)cc21 40975189 SXPVDGWPWSEXTJ-GOSISDBHSA-N 406.526 5.081 0 1 HKAF CC(=O)N1CCC[C@@H]1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1cccc(F)c1 43073567 JNWABOCNQRJLAV-JOCHJYFZSA-N 416.456 5.240 0 1 HKAF COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1OCCN(C)C 45230375 UUUOVVVNIUCQCJ-UHFFFAOYSA-N 413.521 5.360 0 1 HKAF O=C(CN(Cc1ccccc1)Cc1ccc2ccccc2c1)OCCc1ccccc1 45324095 GFWZDCDYYKHQLU-UHFFFAOYSA-N 409.529 5.628 0 1 HKAF CCCC(=O)Nc1nc(-c2ccc(SC)cc2)cc(-c2ccc(SC)cc2)n1 66099459 OGTFWCRFTCRHKP-UHFFFAOYSA-N 409.580 5.993 0 1 HKAF COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCc2ccccc2)c(C)c1C 66251918 XTLREUWYZMEKKQ-PGASSDHJSA-N 415.577 6.399 0 1 HKAF Cc1cccc(C)c1NN1C(=O)O[C@](C)(c2ccc(Oc3ccccc3)cc2)C1=O 72106171 QXHDBPNJGOOROZ-XMMPIXPASA-N 402.450 5.317 0 1 HKAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2ccccc2)C1 82132958 MGFUTXNXVLZKSM-WOJBJXKFSA-N 406.574 5.031 0 1 HKAF CCCCCn1c(-c2ccccc2)nc2c(NCCc3cccc(F)c3)ncnc21 82179424 WXHWSOXJURZYBD-UHFFFAOYSA-N 403.505 5.477 0 1 HKAF O=c1cc(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)n(O)c2ccccc12 84671322 JEXRWYBBBLPNIK-UHFFFAOYSA-N 411.379 5.395 0 1 HKAF CO[C@@]1(c2ccc(F)cc2)C=CC(C2CCCCCC2)(C2CCCCCC2)OC1 103173222 LFHWVCFBNKXCPI-VWLOTQADSA-N 400.578 6.933 0 1 HKAF C[C@@H]1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)C2(CCC(c3ccccc3)(N(C)C)CC2)O1 114383727 AULHNJBHSOXPMG-XSHKEIFESA-N 419.525 5.264 0 1 HKAF C[C@H](NC(=O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118922334 NOVUBZJSKIJHDS-UUSHAESRSA-N 421.625 5.745 0 1 HKAF CCCCC1([C@@H](O)/C=C/[C@@H]2CCC(=O)[C@@H]2C/C=C\CCCC(=O)OCC)CCC1 169315187 QSDNDUMQMPXQRC-JSHCBDHCSA-N 404.591 5.539 0 1 HKAF Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(C(F)(F)F)cc3)c2F)cn1 212165603 PQQXNZPGXARACK-UHFFFAOYSA-N 417.406 5.730 0 1 HKAF CCCC[C@@H](C)/C=C/C=C(\C)[C@H]1OC(=O)[C@@H](/C=C(C)/C=C/[C@H](O)[C@@H](C)C(C)=O)[C@@H]1C 238775471 BRWLVJDGMFALOU-KQXOLJHTSA-N 416.602 5.581 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)cc1 586879307 OAUMDTKRIPFXCN-UHFFFAOYSA-N 412.424 5.228 0 1 HKAF CCCCc1cc(=O)oc2cc(OCc3nc4ccc5nc(C)ccc5c4[nH]3)ccc12 586918840 QRWZWDGOIWPYLH-UHFFFAOYSA-N 413.477 5.448 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(Cl)ncc(F)c2[nH]1 586980679 DIAWWQMAHDXRIV-UHFFFAOYSA-N 405.658 5.279 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(NC(=O)NC5CC5)cc4)nc13)-c1ccccc1C2=O 586994803 AELCSCCVKFNQOQ-UHFFFAOYSA-N 419.484 5.706 0 1 HKAF CCCn1cnc2cc(-c3nc4c(C)cnc(Cl)c4[nH]3)cc(Br)c21 587002512 ATABVPWNQLPKNG-UHFFFAOYSA-N 404.699 5.109 0 1 HKAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)s1 587014798 RBUCVPYLJJUXSS-SSDOTTSWSA-N 402.264 5.133 0 1 HKAF Clc1cc(Br)cc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587028854 ABUNHBMMXVDIQO-UHFFFAOYSA-N 420.719 5.681 0 1 HKAF O=C(Nc1sc2c(c1-c1nc3c(F)cccc3[nH]1)CCC2)c1ccccc1Cl 587031367 QXIGKAMDOCLERD-UHFFFAOYSA-N 411.889 5.825 0 1 HKAF c1ccc(COc2ccc3nc([C@H]4CS[C@@H](Cc5ccccc5)N4)[nH]c3c2)cc1 587041289 MNBAXNMOSGCUFV-PKTZIBPZSA-N 401.535 5.088 0 1 HKAF Fc1c(F)c(F)c2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c1F 587063687 SEWNEAJHBNXADB-UHFFFAOYSA-N 406.766 6.019 0 1 HKAF CCOC(=O)Cc1ccc2nc(-c3c(C)cccc3-c3ccc(Cl)cc3)[nH]c2c1 587074167 RSFDPZHHOVYNPM-UHFFFAOYSA-N 404.897 5.964 0 1 HKAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(Cl)cc(C)c4[nH]3)cc2)cc1F 587147782 RLBVPBQMOBQPMN-UHFFFAOYSA-N 421.903 5.671 0 1 HKAF COc1ccc(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(F)c1 587148132 BHEMWZNNGAAINR-UHFFFAOYSA-N 403.173 5.083 0 1 HKAF Fc1ccc(-c2ccsc2-c2nc3c(Cl)ncc(Br)c3[nH]2)cc1 587164653 UTUZKLXYCUFCEC-UHFFFAOYSA-N 408.683 5.908 0 1 HKAF Fc1ccc(/C=C(/c2nc3ccnc(Br)c3[nH]2)c2cccs2)cc1 587164703 VLFNOQCFAWDTHG-JLHYYAGUSA-N 400.276 5.510 0 1 HKAF Fc1ccc2[nH]c(-c3nc4c(Br)cnc(Cl)c4[nH]3)c(Cl)c2c1 587174992 VBGZKTAEHPTKJJ-UHFFFAOYSA-N 400.038 5.315 0 1 HKAF C[C@]1(c2cc(F)c(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328158 AYEHWLYIGIZMAA-SIKLNZKXSA-N 402.343 5.223 0 1 HKAF Cc1cc([C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1F 587332427 LMJHBWQCISKHHH-ZCYQVOJMSA-N 406.428 5.643 0 1 HKAF Nc1ccc([C@@]2(C3CCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587340128 VCOZZTLWPZRWJN-UKILVPOCSA-N 403.453 5.168 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2c2ccccc2)[C@@H]1c1ccc(F)cc1 587355360 UQBGGZWQGBSWBD-FBILRYNDSA-N 402.465 5.987 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)/C(=C/c2cccs2)CCC3)c1 587367270 ZZONEGQNIYUITL-FBMGVBCBSA-N 423.537 7.595 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4c(F)cccc4Cl)cc1)[C@@H](C2)C3=O 587424686 SECZUHVVZBKUCR-XDHUDOTRSA-N 424.855 5.555 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1ccc3c(c1)CCCC3)CC2=O 587480538 DMOJOJCZPFGGAS-QHCPKHFHSA-N 402.494 5.320 0 1 HKAF Cc1ccc(C(=O)Nc2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 587510108 FJJUABMOQQQVKY-RUZDIDTESA-N 411.501 5.833 0 1 HKAF Nc1c([C@@]2(c3cccs3)CC(=O)c3ccc4c(c3O2)CCCC4)oc2ccccc12 587530334 FNGATTMHAXBLQQ-VWLOTQADSA-N 415.514 5.864 0 1 HKAF O=C1C[C@@]2(C[C@H](c3ccccc3)Oc3ccc(O)cc32)Oc2c1ccc1c2CCCC1 587535121 IQRAKSWGIPVYRT-VPUSJEBWSA-N 412.485 5.656 0 1 HKAF O=C1CC2(CCC(C3CCC4(CC3)OCCO4)CC2)Oc2c1ccc1c2CCCC1 587535859 OTNTZYUDIUOOLW-UHFFFAOYSA-N 410.554 5.393 0 1 HKAF C[C@@]1(c2ccc(OCCCF)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557286 RIOVHVLSWMNAKT-QPPBQGQZSA-N 408.425 5.008 0 1 HKAF CC(C)(C)c1ccc2c(c1)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601556 DNDNDZBPIDEQHW-YIXXDRMTSA-N 414.501 5.883 0 1 HKAF Cc1ccc(-c2nc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cs2)cc1 587609405 BVQXAPMRQNGYKJ-REWPJTCUSA-N 415.470 5.527 0 1 HKAF Fc1cc2c(CCCCc3nc4ccccc4[nH]3)c(C(F)(F)F)[nH]c2cc1Cl 587629759 GNEPBVWLWODFFF-UHFFFAOYSA-N 409.814 6.421 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(C)(C)C)c([C@@](O)(c3ccccc3)C(F)(F)F)c2c1 587640188 FXGYGZPOMWIQCO-WNSKOXEYSA-N 403.488 6.777 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]2c2ccc(Cl)cc2)N1 587694620 HLLVCWOWVQVJMH-CBLJQSSYSA-N 408.742 5.939 0 1 HKAF Cc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587709728 NUASDFTVEJSSQZ-ANRSDYALSA-N 408.258 5.298 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)cc2F)N1 587712992 RLMFUVUAZRHWBV-HUTHGQBESA-N 420.219 5.544 0 1 HKAF CCCOc1c(OCC)cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587798846 ZRJHUQMVLIEZOM-RNODOKPDSA-N 422.338 5.399 0 1 HKAF CC(C)[C@]1(COCc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587802655 SYPGYLQGFMJUQP-BTYIYWSLSA-N 406.339 5.191 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccc(O)cc12 587833972 PXWSTUCYEOSVRY-IPQOISQHSA-N 410.286 5.100 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccccc3)cs2)N1 587845667 FHJGMEXXKRWRNN-ODXCJYRJSA-N 402.332 5.940 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccc(Cl)cc2s1 587860935 GFSYBVJVXYWBJX-UHFFFAOYSA-N 424.740 6.508 0 1 HKAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(Br)cc(C)c3[nH]2)cc1 587932432 FEBQFWPSXAVARY-HXUWFJFHSA-N 407.311 5.823 0 1 HKAF CC1(C)COC(c2cccc(-n3c(O)cc(-c4ccc(Cl)cc4Cl)c3O)c2)=N1 587936296 BOIRPDBRVQBBHT-UHFFFAOYSA-N 417.292 5.418 0 1 HKAF Cc1cc([C@@H]2NCCc3ccc(F)c(C)c32)cc(C)c1OCc1ccccc1Cl 962300269 PKMULEGGVNDNAY-DEOSSOPVSA-N 409.932 6.218 0 1 HKAF Cc1cccc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c1OC(F)F 962645203 SGSIQMRHLZVKAP-ZJSXRUAMSA-N 420.503 5.433 0 1 HKAF C[C@@]1(c2cnc3ccsc3c2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962645785 YGCAPYGECVBWME-ATIYNZHBSA-N 411.574 5.307 0 1 HKAF COc1cccc([C@]2(c3cc(C)ccc3C)NCCc3cccc(-c4ccccc4)c32)n1 962656382 APXUSTBJQLHFCF-LJAQVGFWSA-N 420.556 5.812 0 1 HKAF Cc1ccc([C@]2(CCc3ccc(Cl)cc3)c3ccsc3CCN2C(N)=O)c(C)c1 962709466 QTEQNZUEVOKLCW-XMMPIXPASA-N 424.997 5.832 0 1 HKAF O=C([C@H]1Cc2ccccc2[C@@]2(CCCc3c2sc2ccccc32)N1)C(F)(F)F 962772167 VPOXNEYLHZKZTP-DYESRHJHSA-N 401.453 5.127 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cccc(-c3ccccc3Cl)c2)N1 962955173 XRXDZLWHFWMIFF-AFMDSPMNSA-N 400.953 6.676 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1ccc(C)nc1)c1cc(OC)ccc1OC 963241191 MIOBXTPFMXSYTJ-CCLHPLFOSA-N 416.565 5.356 0 1 HKAF Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc(C(C)(C)C)n1[C@H]1CC[C@@H](N)CC1 1772624832 WAFZLGURJKRUFP-MAEOIBBWSA-N 421.507 5.808 0 1 HKAF Sc1ccccc1COCc1cn(-c2c(Cl)cc(Cl)cc2Cl)nn1 1857569896 ZUFJLAOCLYLYDM-UHFFFAOYSA-N 400.718 5.233 0 1 HKAF CC=C(C)[C@H](CC=C(C)C)c1c(OC)cc(O)c2c1O[C@@H](c1ccccc1)CC2=O 2356466480 HQQKQQPDXDECON-SIKLNZKXSA-N 406.522 6.513 0 1 HKAF CO[C@@H]1C[C@]2(C)[C@H](CC[C@@H]2[C@H](C)C=C[C@H](C)C(C)C)c2cc3c(c(C)c21)C[C@H](O)CC3 2356602927 QATMLMHKOKQDMW-RQCIDRJMSA-N 424.669 6.920 0 1 HKAF CC(=CC[C@H](C)C(C)C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC[C@@]12C 2356603395 BJJMHFSVVTWJFH-HEFXDMLRSA-N 414.674 6.526 0 1 HKAF CO[C@@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)C=CCC(C)C)[C@H]12 2356671320 VKROWFPXQDYCPA-JEPZXVLISA-N 414.674 6.790 0 1 HKAF CCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(-c2ccccc2)cc1 2478124 QCBIAPUBKFJYQB-UHFFFAOYSA-N 414.480 6.345 0 1 HKAF CCOc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)NC1CCCCC1 2481027 MQUZIRKHZWNZGT-UHFFFAOYSA-N 424.928 6.123 0 1 HKAF CC(C)CCNC(=O)c1c(-c2ccccc2Cl)noc1-c1cccc2ccccc12 2482091 VTLUSKSYBRHIDZ-UHFFFAOYSA-N 418.924 6.591 0 1 HKAF Cn1c(O)c(C2=Nc3ccccc3S[C@@H](c3cccs3)C2)c(=O)c2ccccc21 3846512 ZFNCPBZTTAIJIC-HXUWFJFHSA-N 418.543 5.664 0 1 HKAF biogenic O=C(O)c1ccc(OC2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)cc1 13475218 NDAYFCYCEFTLOB-UHFFFAOYSA-N 416.477 5.186 0 1 HKAF COc1ccc([C@H]2Oc3ccc(F)cc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)cc1 13777163 KVTIALKVENTGTL-RUZDIDTESA-N 401.481 6.591 0 1 HKAF CCCCC1=NC(CC)(CC)C(=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1 13833557 LCPYFBSBBAXCRH-UHFFFAOYSA-N 406.526 5.542 0 1 HKAF CC(C)=CCc1cc([C@H]2CC(=O)c3c(cc(O)c(CC=C(C)C)c3O)O2)c(O)cc1O 14727508 XLHAGJGNSIEVFB-JOCHJYFZSA-N 424.493 5.233 0 1 HKAF biogenic CC(C)c1ccc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3)c2c1 26176274 VIZIRRGEWAWHIQ-UHFFFAOYSA-N 417.459 6.947 0 1 HKAF COC(=O)/C=C/c1cccc(N(C(=O)C2CCCCC2)c2ccc3ccccc3c2)c1 28474832 DUXWOMPIMQKRKO-SAPNQHFASA-N 413.517 6.271 0 1 HKAF COc1ccc(C(c2c(O)ccc3ncccc23)c2c(O)ccc3ncccc23)cc1 29554350 KVKJYDDMXAZQMT-UHFFFAOYSA-N 408.457 5.383 0 1 HKAF C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1ccco1 40393442 BWDVKBYRMLPLCI-OJZQPWLLSA-N 413.602 6.055 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCc1ccccc1 40791363 JMJLBTSEMKHKAU-DOFZRALJSA-N 421.669 7.881 0 1 HKAF Cc1cnc(C(=O)Nc2cccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)c2)cn1 45162473 IHEOXSTXLQFKGH-UHFFFAOYSA-N 423.451 5.387 0 1 HKAF CCN(CC)CCNCc1cc2c3ccccc3n(Cc3cccc(Cl)c3)c2cn1 53230519 HPJRQPHAZFPYRM-UHFFFAOYSA-N 420.988 5.323 0 1 HKAF CC1[C@H](O)CC(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCC[C@H](C)O)C[C@H]1O 66263012 JWMNZSVRCJPIDT-HVASHUNBSA-N 404.635 5.395 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc3c(c2)OCO3)C(C)(C)CCC1 72108632 DOOSIIKTOPOTGM-BMOVYMEHSA-N 419.565 6.885 0 1 HKAF FC(F)(F)c1cccc(CNCc2coc(-c3ccc(Cl)cc3Cl)n2)c1 72181574 YXIHCADHAWFUKD-UHFFFAOYSA-N 401.215 5.957 0 1 HKAF COc1ccc2nc(-c3ccc(-c4nc5ccccn5c4NC(C)(C)C)cc3)[nH]c2c1 73170153 DEFXWAXUKYOGRK-UHFFFAOYSA-N 411.509 5.764 0 1 HKAF Cc1oc(-c2cnc(N3CCCC3)nc2-c2ccc(F)cc2)nc1-c1ccccc1 82164375 BIZIEGGHJYRNIG-UHFFFAOYSA-N 400.457 5.513 0 1 HKAF Cc1cccc(-c2nc(NC3CCCCC3)ncc2-c2nc3ccccc3s2)c1 82167443 NDNSDPMXVQVORZ-UHFFFAOYSA-N 400.551 6.473 0 1 HKAF O=C(NCc1ccc(Oc2ccccc2)cc1)c1c(C(F)(F)F)nc2ccccn12 84741931 XSCBXUJYZPASHH-UHFFFAOYSA-N 411.383 5.075 0 1 HKAF O=C(CCCc1ccc2cccnc2n1)NCc1csc(-c2cccc(Cl)c2)n1 95580494 CTOCOMPBYTZWOK-UHFFFAOYSA-N 422.941 5.046 0 1 HKAF Cc1nn(-c2ccccc2Cl)c2c1[C@@H]1c3cc4ccccc4nc3SC[C@@H]1CO2 95586950 YQTBDGYIOQZKIC-BTYIYWSLSA-N 419.937 5.629 0 1 HKAF O=C([C@H](Nc1ccccc1)c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ccccc1 95601828 ONGLYJWPJGCEBN-DHIUTWEWSA-N 424.466 6.222 0 1 HKAF O=C(NCc1cc2ccccc2s1)C1CN(C(c2ccccc2)c2ccccc2)C1 95707544 NSDBSWUQCFCFLX-UHFFFAOYSA-N 412.558 5.239 0 1 HKAF CC[C@@H](C)Sc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1cccc(OC)c1 100703504 LJKQSKJROLDMDZ-SJKOYZFVSA-N 411.527 5.295 0 1 HKAF Cc1ccc(OCc2nn3c(-c4ccc(Cl)cc4)nc(=S)nc3s2)c(C)c1 103166903 CGVVXJIXLMSYTM-UHFFFAOYSA-N 414.943 5.432 0 1 HKAF CC(C)(C)Cc1c(-c2ccc(F)cc2F)sc(N)c1C(=O)c1ccc(Cl)cc1 103226655 IRMKHNSNFDAITE-UHFFFAOYSA-N 419.924 6.749 0 1 HKAF Cc1cc2c(cc1C)N[C@@H](c1coc3ccccc3c1=O)C1=C(O)CC(C)(C)CC1=N2 104695704 KJRUNDDAAREGQT-DEOSSOPVSA-N 414.505 6.281 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@](O)(CCCc5ccccc5)CC[C@]34C)[C@@H]1CCC2=O 118920100 AYCYYEHALVLQDH-JLKUKDNHSA-N 408.626 6.352 0 1 HKAF O=C(O)c1cccc2c1oc1c(C(=O)O)ccc(Nc3ccc(Cl)cc3Cl)c12 140369022 SIDUJEVBCIEGLZ-UHFFFAOYSA-N 416.216 6.033 0 1 HKAF CCCN(CCC)c1cccc2nc(Nc3c(C)cc(Cl)cc3C(C)C)n(C)c12 142699051 QRYVQYBCNYCBEL-UHFFFAOYSA-N 413.009 7.029 0 1 HKAF CC(C)COC(=O)NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1 146054811 FLPKYVFSPMWCBW-UHFFFAOYSA-N 417.509 5.070 0 1 HKAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4N(C=O)CCC(C)(C)C)[C@H]3CC[C@@H]12 169301212 HAPCTYIHYYGVQQ-NMGCQXSDSA-N 416.650 5.113 0 1 HKAF O[C@H](C[C@@H]1CCCCN1)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12 169333420 IHPKYBIMUMGNRB-HRAATJIYSA-N 401.337 5.774 0 1 HKAF Fc1cccc(F)c1-c1nc2c(Nc3cnccc3O[C@H]3CCNC3)cccc2s1 299826058 XCOFVVDVCWPAKU-ZDUSSCGKSA-N 424.476 5.121 0 1 HKAF Cc1ccc(NC(=O)Nc2cc3ncncc3cc2OCc2ccccc2Cl)cc1 299832988 MVPWHLZFAXWPRR-UHFFFAOYSA-N 418.884 5.815 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@@H](N)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 299848775 XBCGINQJTOMOTB-HNNBSZBSSA-N 403.695 6.406 0 1 HKAF Fc1ccc(-c2cnc([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCCCC4)N3)[nH]2)nc1 473123463 LRAQARBHUPYRAD-FYYLOGMGSA-N 415.516 5.601 0 1 HKAF COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccccc1)C2 473133130 XYQBCUUUCJQFJN-UHFFFAOYSA-N 401.531 5.972 0 1 HKAF Brc1ccc(Br)c2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc12 586887316 SWHXRYTUUIGVCK-SGTLLEGYSA-N 418.132 5.459 0 1 HKAF OCCCCCCCCCCCc1nc2cc(Br)c(F)c(F)c2[nH]1 586894567 MEBRJGFCFWFUNZ-UHFFFAOYSA-N 403.311 5.649 0 1 HKAF N=C(N)c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 586998887 RMSMFMUBSNDOMT-JXMROGBWSA-N 407.271 5.040 0 1 HKAF Cc1ncsc1-c1c[nH]cc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587028015 MKTOBUAJQBFEIQ-UHFFFAOYSA-N 416.350 6.028 0 1 HKAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc4ccccc4cc3[nH]2)c1 587147370 OHGDCXAESLGAQW-UHFFFAOYSA-N 412.420 5.896 0 1 HKAF COc1cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1Cl 587150570 MFONKUWGBMZJRV-HXUWFJFHSA-N 400.812 5.672 0 1 HKAF CC(C)(C1CCC(=O)CC1)[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587206308 CJOQPOXVIFSXIU-SFHVURJKSA-N 423.556 6.337 0 1 HKAF COc1cccc(-c2cc(-c3cnc4ncnn4c3C)nc3c2oc2ccccc23)c1 587362798 KPLHBFOYSKIIIT-UHFFFAOYSA-N 407.433 5.070 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@](O)(c2ccccc2)C3)c1 587365762 JPATVKCINLGYDX-MUUNZHRXSA-N 421.496 6.033 0 1 HKAF COC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1Cl 587376638 SPHSQOITYQBPOK-QFIPXVFZSA-N 421.880 5.391 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1OCCCCF)O2 587383718 VGNWCWNTEUKYQG-LJQANCHMSA-N 422.294 5.175 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1cccc(SC)c1)(c1ccc(F)c(F)c1)[C@@H](C2)C3=O 587426772 PQHOLAZETGJMON-UUOWRZLLSA-N 424.468 5.387 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c[nH]c4c(OCc5ccccc5)cccc14)[C@@H](C2)C3=O 587438715 QCGHLFPBMJUHGF-SIBVEZHUSA-N 411.457 5.244 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)cc(C(F)(F)F)cc1Cl)CC2=O 587464784 YJEOPQWNCYLXRF-MRXNPFEDSA-N 419.226 6.377 0 1 HKAF Cc1nc2ccc(NC(=O)C[C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2s1 587536093 QZDHYTHCCYXNBE-DEOSSOPVSA-N 420.534 5.236 0 1 HKAF Cc1c(Br)cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542063 WKGDVPKTLNURTA-WIYYLYMNSA-N 411.251 5.166 0 1 HKAF COc1cc(C)ccc1OCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587563430 DSYKHAHVEPAHLZ-UHFFFAOYSA-N 415.209 5.240 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccc(F)cc2)s1 587572033 QKYGYSKORWVESJ-DENIHFKCSA-N 419.433 5.358 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccco2)n2ccccc12 587590069 XDGJOFXFAACMMD-GBXCKJPGSA-N 424.412 5.003 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC1(CCCC1)Oc1ccccc12 587610901 RBGOLQKLHVVSAT-NVQXNPDNSA-N 414.457 5.345 0 1 HKAF Cc1c(Br)cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587676979 JLKFGDUTBMCLLW-XYZCENFISA-N 413.128 5.283 0 1 HKAF Cc1[nH]c2ccc(Cl)cc2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587694606 HHDALLOPRZYFHN-ZRNGKTOUSA-N 407.714 5.655 0 1 HKAF Cc1c(Cl)ccc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)[nH]c12 587695441 JUGUUBGSZCNLDC-ZRNGKTOUSA-N 407.714 5.655 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)(F)F)c(F)c2)N1 587710656 GWYKEFKUAXOKFJ-VPTHRUTESA-N 406.192 5.370 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(C(F)(F)F)c2F)N1 587710705 HKELLQTTYSHIHC-VGDKGRGNSA-N 424.182 5.509 0 1 HKAF CCCCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587712931 APZQLFKLRDUQBK-FKIZINRSSA-N 410.302 5.530 0 1 HKAF CC[C@@]1(c2cccc(Cl)c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587726212 WDNZKHYUNOQQFJ-MGNBDDOMSA-N 400.694 5.569 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccc(F)cc2)N1 587737454 XSNRFXXWZHTYKO-MCMMXHMISA-N 414.293 6.018 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=Cc3ccc(N)c4cccc2c34)N1 587744973 IPWSVRJUURASTE-VERVWZFWSA-N 409.302 5.128 0 1 HKAF CC[C@@H]1c2cc(OC)ccc2CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587806788 JKKDHENFOGPBJM-CYYCYGDNSA-N 418.350 5.466 0 1 HKAF Cc1ccc(C(C)C)c2c1[C@@]1(CCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587836712 XNEPTSNBBKDFNC-JLCFBVMHSA-N 418.350 5.580 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCN(Cc3cccs3)CC2)N1 587850773 FRBJQYOBUXWMBD-ZUOKHONESA-N 423.395 5.137 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3nccs3)c2)N1 587853277 MDSPOQVYNBJAER-ZMZPIMSZSA-N 403.320 5.335 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c2C)c(OC)c1 587930771 VIDDNJILCWXTEO-UHFFFAOYSA-N 413.399 5.636 0 1 HKAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 587937869 QQJYXTFNVMLPMH-SANMLTNESA-N 420.516 5.583 0 1 HKAF C[C@H](COc1c(Cl)cccc1Cl)NCc1ccc2c(c1)C(C)(C)N([O])C2(C)C 653755971 MKSATJUTOAXQRT-CQSZACIVSA-N 422.376 5.682 0 1 HKAF Cc1ccccc1CC[C@@]1(c2cc(F)c(F)c(F)c2)NCCc2ccc(F)c(C)c21 962095671 WAPKAQCHUYRXJW-VWLOTQADSA-N 413.458 5.882 0 1 HKAF C[C@H](C(F)(F)F)[C@]1(c2ccccc2)c2ccsc2CCN1Cc1cccn1C 962396402 GSVNBRNEIHVHSX-KKSFZXQISA-N 404.501 5.587 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](Cc2ccccc2Cl)(c2csc(C)c2)N1 962945159 IZIIMJNPKXEICI-DFBJGRDBSA-N 421.009 6.602 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(C)cc2)([C@H]2CCOC(C)(C)C2)N1 962947786 KGFIBVFXZOACFT-ISCCLHIJSA-N 402.582 5.849 0 1 HKAF COc1cccc2cc3c(nc12)[C@@](C)(c1ccc(Oc2ccccc2)c(F)c1)NCC3 963050743 CWAXLRBBFIFQKC-AREMUKBSSA-N 414.480 5.584 0 1 HKAF CCCC[C@@H]1CCC[C@@]12c1c(ccc(OC)c1OC)CCN2C(=O)c1ccccc1N 963151681 YBJXLWZZXJSWSR-BCHFMIIMSA-N 422.569 5.170 0 1 HKAF CCCn1cc([C@@]2(C)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c(C)n1 963818144 RKKOOJQBTAWBGK-AREMUKBSSA-N 414.553 5.071 0 1 HKAF CCc1[nH]c2nc(=NCc3ccc(OC)cc3)sc-2c(-c2ccc(OC)cc2)c1C 1857619428 FIIFWANOHWIACL-UHFFFAOYSA-N 419.550 5.232 0 1 HKAF CO[C@@H]1C[C@@H]2[C@H]([C@H](C)C=CC=C(C)C)CC[C@]2(C)C[C@@H]2[C@@H]3C1=CO[C@H]3C[C@]2(C)O 2356335190 VQNZJDUMTPVGDO-YEZZITQOSA-N 400.603 5.656 0 1 HKAF COC1=CC(c2ccc[nH]2)=NC1=Cc1[nH]c2cc1[C@@H](CC(C)C)CCCCCCCC2 2356342733 FMYDORNOPXGCEO-HXUWFJFHSA-N 419.613 7.133 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C(=O)[C@H](C)[C@](C)(CC[C@H](C)CC(=O)O)[C@H]2CCC=C(C)[C@]12C 2356677740 XCQRBNYBYVJECB-UUBHFGFYSA-N 418.574 5.343 0 1 HKAF CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(C(C)C)cc1 775086 AOZNGUNRNPMBEZ-KKSFZXQISA-N 424.516 5.408 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 5293911 OYXZMSRRJOYLLO-JAAOMNDQSA-N 402.663 6.360 0 1 HKAF COc1ccc(CN[C@@H]2C=C[C@@H](c3c(C)nn(-c4ccc(C(C)C)cc4)c3C)C2)cc1 8636066 OZONYCAYOJCXLP-DNQXCXABSA-N 415.581 5.823 0 1 HKAF biogenic O[C@](Cn1cnc2ccccc21)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 26942360 XQJUXZOQLLZSGL-SANMLTNESA-N 409.464 5.174 0 1 HKAF CCc1sc(NS(=O)(=O)/C=C/c2ccc3ccccc3c2)nc1-c1ccccc1 26950858 SSIDUVXUKRWKSN-CCEZHUSRSA-N 420.559 5.938 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 27213341 QASMLJURBZXYNW-WWQCJURMSA-N 401.679 6.928 0 1 HKAF C(=C\c1ccc(-c2cn3cc(/C=C/C4=NCCS4)ccc3n2)cc1)\C1=NCCS1 27435875 PIPMWBLCKNUNAI-DHPVUTNOSA-N 416.575 5.318 0 1 HKAF COc1ccc(-c2[nH]c(SC(F)(F)C(F)F)nc2-c2ccc(F)cc2)cc1 28220948 VDZHISDSEOLPPP-UHFFFAOYSA-N 400.372 5.841 0 1 HKAF C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)c1ccc(F)nc1 28522216 DHWWHGHZBWODEZ-HUVFLSCGSA-N 407.464 5.025 0 1 HKAF C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](O)C(C)C)C[C@@H](O)C[C@@H]1O 33820646 UBJWUTCRXGEEAN-VOILRYRGSA-N 414.630 5.337 0 1 HKAF FC(F)(F)c1ccc(-c2nc3n(c2-c2ccc(C(F)(F)F)cc2)CCS3)cc1 34079736 QWWHRWBFQHLVOE-UHFFFAOYSA-N 414.374 6.360 0 1 HKAF COc1cc(N[C@@H](C)CCCN)c2ncccc2c1Oc1ccc(Cl)c(Cl)c1 40631598 NHAOJBDPGPPVSV-ZDUSSCGKSA-N 420.340 5.882 0 1 HKAF CCCCCCNC(=S)Nc1ccc(-c2n[nH]c(=S)n2-c2ccccc2)cc1 40953032 XDMGEMDRNPBDJU-UHFFFAOYSA-N 411.600 5.464 0 1 HKAF C[C@H](Nc1cc(-c2nc3ccccc3nc2-c2ccc(F)cc2)ccn1)c1ccccc1 45245481 YIBRZORKBYKTCE-SFHVURJKSA-N 420.491 6.671 0 1 HKAF Cc1ccsc1[C@@](C)(O)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C 45253125 UUGJKSUOOIUEHL-TUSQITKMSA-N 422.569 6.170 0 1 HKAF O=C1Cc2c([nH]c3ccc(C(F)(F)F)cc23)-c2ccccc2N1Cc1ccccc1 45285298 XBDSEOYFFKGCSE-UHFFFAOYSA-N 406.407 5.943 0 1 HKAF CCN(CC)CCCCCCN(CC)CCNc1ccnc2cc(Cl)ccc12 45348192 KJQSIAIWIKSZMG-UHFFFAOYSA-N 405.030 5.524 0 1 HKAF Cc1c(C(=O)NC(C)(C)C)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C 66259438 GCFMMKUQCAWLIA-UHFFFAOYSA-N 419.356 5.423 0 1 HKAF CCCN1C(=O)[C@H]2CC=C3[C@@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)[C@H]2C1=O 72175708 CIXRVMYOQXEBPR-IGZKDWKNSA-N 413.646 6.233 0 1 HKAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccccc2)C1 82132951 FVFFXNXSPLFQOS-PLACYPQZSA-N 420.601 5.277 0 1 HKAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2cccc(C)c2)C1 82145610 JBOIWEDWZMFDKG-UXHICEINSA-N 406.574 5.093 0 1 HKAF CCCCCn1c(-c2ccccc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82184772 OKOKHMSPPNJWJH-UHFFFAOYSA-N 405.933 5.949 0 1 HKAF COc1ccc2c(c1)sc1c(Nc3ccc(Br)cc3F)ncnc12 95596539 GCXNRWRHCTWYFW-UHFFFAOYSA-N 404.264 5.498 0 1 HKAF CCCCc1ncc(/C(C)=C(\Cc2ccccc2)C(=O)O)n1Cc1ccccc1Cl 95611580 SNKQAPAXVLAKHS-DYTRJAOYSA-N 422.956 6.028 0 1 HKAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)O[C@H]3CC[C@@H](C)CC3)CN(C)[C@H]1C2 101103446 PRLKDWJIMFKGSZ-BEJOZIEQSA-N 408.586 5.304 0 1 HKAF Clc1cc(Cl)cc(Nc2nc(-c3ccccc3)c(Cc3ccccc3)s2)c1 103228311 SPWQLIPRTDPICF-UHFFFAOYSA-N 411.357 7.451 0 1 HKAF COP(=O)(OC)[C@@H](OC(=O)COc1cccc(Cl)c1Cl)c1ccccc1 103292597 IVZCIKKXRZUMDQ-QGZVFWFLSA-N 419.197 5.100 0 1 HKAF CSc1nc(-c2ccccc2)cn2c(-c3ccc(-c4cnc(C5CC5)[nH]4)cc3)cnc12 118748130 HTGAVFKNHNDUIQ-UHFFFAOYSA-N 423.545 6.053 0 1 HKAF CC(C)C/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 135692538 UCXOFWMSZIFPGX-DQSJHHFOSA-N 415.577 6.338 0 1 HKAF CC1(C)OC(=O)N(c2ccc(-c3cc4ccncc4[nH]c3=O)cc2)[C@H]1c1ccccc1 147586178 ZBXHUJIOOODECQ-QFIPXVFZSA-N 411.461 5.067 0 1 HKAF Clc1ccc(C2CCN(C3=Nc4ccccc4N=C(c4ccccc4)C3)CC2)cc1 169324561 DEWRADARWJAPMI-UHFFFAOYSA-N 413.952 6.774 0 1 HKAF O[C@H](C[C@@H]1CCCCN1)[C@@H]1CC(c2ccccc2)=Nc2c(Cl)cc(Cl)cc21 169335306 CPJBOOQQIJJGOX-CSODHUTKSA-N 403.353 5.495 0 1 HKAF O=C(O)c1ccc2nc(-c3cc4ccc(F)cc4o3)c(N3CCCCCC3)nc2c1 205430847 UANZJUBUUPZHHZ-UHFFFAOYSA-N 405.429 5.261 0 1 HKAF C[C@@H](Nc1nc([C@H](Oc2ccccc2)c2ccccc2)nc2[nH]ncc12)c1ccccc1 206816368 PTMQLMAOXJYUMF-WZONZLPQSA-N 421.504 5.694 0 1 HKAF CC[C@@H](C)C(=O)OC[C@H]1[C@H](O)CC[C@@H]2[C@@](C)(CCc3ccoc3)C(C)=CC[C@@]12C 238751728 BUYMYHDGAACCHX-XUVXRHGUSA-N 402.575 5.551 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@]13C 238756050 GNSWPULAOZONLL-JBRGBVHFSA-N 410.730 9.342 0 1 HKAF O=Cc1c(-c2ccc(Cl)cc2Cl)nc2sc(Cc3ccc(Cl)cc3)nn12 299827734 HMJUWXXUKNSDGG-UHFFFAOYSA-N 422.724 5.821 0 1 HKAF CC(C)=CCC[C@](C)(O)CCC/C(C)=C/Cc1c(O)c(Cl)c(C)c(C(=O)O)c1O 299829417 UPKGCCJDPUMZAM-VOCPSOEZSA-N 424.965 5.914 0 1 HKAF CN(C)Cc1cc([C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c(O)c([C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c1 299882052 PCMPQMUZQDZRPE-PXEFRCPISA-N 423.685 7.313 0 1 HKAF COc1cc(Sc2c(-c3ccccc3)[nH]c3cccc(F)c23)cc(OC)c1OC 473099649 HAQBBXORGYCZEO-UHFFFAOYSA-N 409.482 6.151 0 1 HKAF O=C1c2ccccc2-c2c(CCc3cccc(C(F)(F)F)c3)cnc3ccc(O)c1c23 586986913 QYGYWLUDVUYBGB-UHFFFAOYSA-N 419.402 5.956 0 1 HKAF Cc1c(Br)cc2nc(CCNc3ccc(Br)cc3)[nH]c2c1C 586996645 XGKFFTYWKUSJHX-UHFFFAOYSA-N 423.152 5.359 0 1 HKAF CC(C)Oc1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1 587002613 XQERJMHRVPQEED-UHFFFAOYSA-N 411.299 5.845 0 1 HKAF Fc1c(Br)cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1F 587051849 UKTFPZIKEPBBET-RNFRBKRXSA-N 418.068 6.182 0 1 HKAF CCCCOc1cc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2cc1Br 587088886 UJTNUAOBGCYIOK-LLVKDONJSA-N 414.294 5.254 0 1 HKAF FC(F)=C(C[C@@H]1CCCN1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587088905 UORKQSHUEJYTLA-ZETCQYMHSA-N 410.184 5.094 0 1 HKAF COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(Br)c1 587101444 GWZVWYJDKBWQOK-UHFFFAOYSA-N 416.274 5.884 0 1 HKAF Cc1ccc2c3c(cc(-c4cc5c(s4)SCC(=O)N5)nc13)-c1ccccc1C2=O 587102788 YGWWMMUPWMKGLC-UHFFFAOYSA-N 414.511 5.527 0 1 HKAF COCCOc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1OC 587108317 ZJTIIDGWFTZROS-UHFFFAOYSA-N 411.457 5.147 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Cl)cc(F)c4[nH]3)cc2F)c1 587143763 KRHQPJLWFRORKI-UHFFFAOYSA-N 414.795 5.535 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@]43C)[C@H]1Cc1c2nc2cccc3c2c1CC3 587216315 ZWZGWOUPROEEMP-QRJRUJDESA-N 401.594 5.751 0 1 HKAF COc1cccc(-c2cc(-c3cccc4nc(N)oc34)nc3c2oc2ccccc23)c1 587361940 CKXPPAJOMFOCIX-UHFFFAOYSA-N 407.429 6.047 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccccc3Cl)nc1C(C)(C)C)O2 587376978 FDIAIGONIDNCDU-HXUWFJFHSA-N 409.917 5.420 0 1 HKAF COCOc1ccc([C@]2(c3cccc(Cl)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587379095 SIWUIQAOAVINLW-DEOSSOPVSA-N 423.896 5.122 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](C)N(Cc1ccccc1)Cc1ccccc1)O2 587386483 JOCFZAPNKJZMNK-DFBJGRDBSA-N 400.522 5.002 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc([C@H](C)CC)cc1)CC2=O 587470859 MRQSCIKCCPOJFC-CRICUBBOSA-N 403.522 6.355 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(OC)ccc1OC)CC2=O 587476802 GCWGSNFMGLZQRG-AREMUKBSSA-N 418.489 5.271 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1)CC2=O 587482397 ZVCDYXOSIXPMFP-HOYKHHGWSA-N 417.546 5.104 0 1 HKAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1cc(Cl)cn1 587496930 CMXHVRPMQYNCLZ-HSZRJFAPSA-N 422.912 5.179 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc(Nc3ccc(CC)cc3)s1)CC2=O 587498172 ZGBDSZNQWGPASE-DEOSSOPVSA-N 422.550 5.988 0 1 HKAF O=C1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)cs2)Oc2c1ccc1c2CCCC1 587534125 AYWOPABLJDNNTH-NRFANRHFSA-N 405.475 5.124 0 1 HKAF Cc1cc(OC(F)(F)F)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587557228 QTYQBKUQSDLCIR-RXVVDRJESA-N 416.351 5.302 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2cccs2)c1 587613814 QSBZSQZXUFSBOF-QPPBQGQZSA-N 400.455 5.824 0 1 HKAF COc1ccc(-c2[nH]c3cc(F)ccc3c2-c2ccc(C)cc2)c(Br)c1 587632814 RFAJDRMFRBUGLZ-UHFFFAOYSA-N 410.286 6.721 0 1 HKAF O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3ccc(Cl)cc3Cl)[nH]c12 587639146 WNFWANFECSHRFP-UHFFFAOYSA-N 402.155 5.585 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(F)(F)F)(c2ccccc2)N1 587708965 GRXWACLYPCDCRY-DIFFPNOSSA-N 402.229 5.318 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1C(F)(F)F 587712623 PUTRRIUDCWLXPX-QGHHPUGFSA-N 402.229 5.539 0 1 HKAF CCc1ccc2oc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587827858 LUIDTZBWNFVMRL-QKVFXAPYSA-N 402.307 5.695 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCCC3)Oc3ccccc32)N1 587836752 BFJWWVWSXWFLPI-RCDICMHDSA-N 416.334 5.461 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SC3CCCCC3)o2)N1 587846519 URFXCFDXGWWFER-YUNKPMOVSA-N 424.379 6.230 0 1 HKAF Cc1sc2ccccc2c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587851563 CIAKORJUVVOHDA-GIPWTMENSA-N 404.348 5.909 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1c(C)cccc1C 587859274 HPLUFCQTUMCUKP-UHFFFAOYSA-N 420.365 6.118 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 587871109 AEIJCOVPAYGWKF-SFTDATJTSA-N 406.501 5.829 0 1 HKAF Cc1ccc(Cl)c(OCc2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)o2)c1 587873308 YKYOSPYRLXQCQH-UHFFFAOYSA-N 424.815 5.617 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)C(c2ccccc2OC)(c2ccccc2OC)N1 962960253 WJYRIVWKHWIPJH-GOSISDBHSA-N 412.533 5.401 0 1 HKAF CN1CCc2c(Br)cccc2[C@]1(c1ccc(F)cc1)c1ccccc1F 963289003 HFYGKYVENWHXDD-JOCHJYFZSA-N 414.293 5.507 0 1 HKAF CCCCCc1ccc([C@]2(c3cccc(Cl)c3)NCCc3ccc(O)cc32)cc1 963330272 WCMAUHZGXQLKJZ-AREMUKBSSA-N 405.969 6.216 0 1 HKAF O=c1c2sc3nc4c(cc3c2nnn1-c1ccccc1Cl)CCCCCCCC4 1772596992 XCQYAVNVRLFROQ-UHFFFAOYSA-N 424.957 5.483 0 1 HKAF CCCC[S@@](=O)c1sc2nc(-c3nccs3)cc(-c3nccs3)c2c1N 1772634721 TYJBYGMGVSFXRL-AREMUKBSSA-N 420.610 5.033 0 1 HKAF OCc1ccc2c([C@H](CC(F)(F)F)c3cccs3)c(-c3ccccc3)[nH]c2c1 1857571049 DIYUBQZFJKPFAQ-QGZVFWFLSA-N 401.453 6.473 0 1 HKAF O=C1c2cccc3cccc(c23)C(=O)N1CCCNc1ccnc2cc(Cl)ccc12 1857577355 GFAPJCIZOIDPOT-UHFFFAOYSA-N 415.880 5.140 0 1 HKAF CC[C@H](C)C(=O)c1c(O)cc(O)cc1OC/C=C(\C)CC/C=C(\C)CCC=C(C)C 1857750465 MPEPDBXCDFCZAL-ASVLODSOSA-N 414.586 7.125 0 1 HKAF S=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)NC12CC3CC(CC(C3)C1)C2 1857750760 YYQQVVAWXQHFAP-UHFFFAOYSA-N 420.666 6.410 0 1 HKAF CC(C)C[C@@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@]2(C)C=C[C@@H](C(C)C)C[C@]12C 2356360990 SHCCLCKVNNGCHS-DIZBOEJNSA-N 400.515 5.242 0 1 HKAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]3(C)CC[C@]4(C)CCC(C)(C)C[C@@H]4[C@@H]3CC[C@@]21C 2356435043 PFZXVVZKPCFFPL-LECYOIASSA-N 412.702 8.067 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CCC1=C(C)CC[C@@H]2C(C)(C)CCC[C@@]12C 2356863670 VHLXLMQWVJKPNC-RLWLMLJZSA-N 423.649 5.942 0 1 HKAF COc1ccccc1Nc1nc(-c2sc(NC(=O)CC(C)C)nc2C)cs1 8579134 BDLPMFQXHUYZJK-UHFFFAOYSA-N 402.545 5.312 0 3 HKAF aggregator CCOC(=O)c1cccc(-c2c(-c3ccccc3)ncc3cc(OC)c(OC)cc23)c1 36388900 XPLRZQYTFKCYKU-UHFFFAOYSA-N 413.473 5.763 0 3 HKAF C[C@@H]1CN=C(c2cc(Cl)c(N)c(Cl)c2)c2c3ccc(C(F)(F)F)cc3nn21 206061482 MXQQCLVCLWSZJQ-MRVPVSSYSA-N 413.230 5.356 0 3 HKAF O=C(Oc1ccccc1)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2 3956036 DSHBALNIPCXQFC-UHFFFAOYSA-N 412.533 5.373 0 1 HKAF C[C@H]1CC(=O)[C@](C)(CCC(=O)O)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@@H](C)CCC(=O)O)[C@H]12 13781898 VKFJUKMHHGHLBA-NYUAOOKHSA-N 406.563 5.026 0 1 HKAF CCN(c1nc(C)cc(N2CCCCC2)n1)c1ccc(C(C)C)cc1Br 13794467 FLEKYCKYUITKKY-UHFFFAOYSA-N 417.395 5.819 0 1 HKAF CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2F)[C@@H]1c1cccs1 20904267 PIVMIEGGUYSRNL-YADHBBJMSA-N 422.525 5.463 0 1 HKAF OC1=NC(=S)S/C1=C\c1cc(-c2ccccc2)ccc1OCc1ccccc1 28381639 QSCCALTWKIPBQQ-STZFKDTASA-N 403.528 6.262 0 1 HKAF COc1c([C@@H](O)C(C)C)ccc2c1C(=O)Oc1cc(C)cc(OCCC(C)C)c1O2 28457073 PPTMZBHUGYXZAQ-NRFANRHFSA-N 414.498 5.443 0 1 HKAF CC(=O)C[C@H]1Oc2ccc(Cl)cc2-c2c1c(=O)[nH]c1ccc(C(F)(F)F)cc21 28524531 IPPIXSQPQWENKN-MRXNPFEDSA-N 407.775 5.280 0 1 HKAF C[C@@H](OCC1(c2ccccc2)CC(=O)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 36324206 RSABPPVRUPFDEN-CYBMUJFWSA-N 416.361 6.103 0 1 HKAF COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)n1 43204054 NBVOJZKZQMFQJQ-UHFFFAOYSA-N 421.394 5.560 0 1 HKAF Fc1ccc(-c2nc3ccccc3nc2-c2ccnc(NCc3ccccc3)c2)cc1 45244979 VQPXFXPGCPKADB-UHFFFAOYSA-N 406.464 6.110 0 1 HKAF COc1cccc(-c2cn3c(-c4ccc(Cl)cc4Cl)c(CN)c(C)nc3n2)c1 58538106 XLXLHHACKNFXDK-UHFFFAOYSA-N 413.308 5.146 0 1 HKAF COC(=O)/C(=C\c1ccc2nc(Oc3ccccc3)ccc2c1)NC(=O)OC(C)(C)C 64624635 NQLPKBXBGUTNSE-HMMYKYKNSA-N 420.465 5.066 0 1 HKAF in-vitro C/C(=C\Cc1cc(O)c(C)c(C)c1O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 70647149 SUFZKUBNOVDJRR-AVQLUFSJSA-N 416.690 8.643 0 1 HKAF in-vitro COc1ccc(F)cc1CNCCCNc1ccnc2cc(C3CCCCC3)ccc12 72123085 HXTVKKFZYPPWMR-UHFFFAOYSA-N 421.560 6.022 0 1 HKAF Clc1ccccc1-c1nc2cccc(Br)n2c1NC1CCCCC1 72175921 RTYYJLSJCNMVCO-UHFFFAOYSA-N 404.739 6.162 0 1 HKAF O=C(CCc1ccccc1)c1cc(F)ccc1OC[C@@H](O)Cn1ccc2ccccc21 73159652 HZRCICIKFOQXEV-QFIPXVFZSA-N 417.480 5.036 0 1 HKAF c1ccc(-c2cnc(-c3cnc(NC[C@H]4CCCO4)nc3-c3ccco3)s2)cc1 82165692 CLDWFKWVDFRXNU-MRXNPFEDSA-N 404.495 5.118 0 1 HKAF Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)NCC2CC2)c1 82216773 VZRQAPJCKSAJDA-UHVFKWDWSA-N 418.585 5.074 0 1 HKAF COc1ccc([C@](CC[C@H](N)C(F)(F)F)(c2ccccc2)c2ccc(C)cc2)cc1 95582172 QHJRJXGAXVKUON-BJKOFHAPSA-N 413.483 6.008 0 1 HKAF O=[N+]([O-])C1=Cc2cc(Cl)cc(Cl)c2O[C@H]1c1ccc(Br)cc1 96910435 DBGGZXHASFDKKU-HNNXBMFYSA-N 401.043 5.507 0 1 HKAF COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3C(Cl)=NC=N[C@H]32)cc1 98084634 ZCMRDWHYJKVANH-DHLKQENFSA-N 413.908 5.705 0 1 HKAF CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1 103520874 UYJMKOWCZMEBEM-QFIPXVFZSA-N 402.494 5.269 0 1 HKAF Cc1ccc(Oc2ccc(-c3ccn4c(CC5CC5)nnc4c3C)cc2F)c(C)n1 114492971 GVHWCKYZRNCSMM-UHFFFAOYSA-N 402.473 5.600 0 1 HKAF Cc1c(O)cc2c(c1C)O[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C=C2 135996581 BIXWVSLNTIFDQN-XJGOYTCSSA-N 414.674 8.612 0 1 HKAF Oc1c(Br)cc(CCc2ccccc2C(F)(F)F)cc1Br 139463308 OYPZHSVBEUENAD-UHFFFAOYSA-N 424.054 5.721 0 1 HKAF CCCCC1([C@@H](O)/C=C/[C@H]2CCC(=O)[C@@H]2C/C=C\CCCC(=O)OCC)CCC1 169315189 QSDNDUMQMPXQRC-ZMEKEQEOSA-N 404.591 5.539 0 1 HKAF CC[C@@H](Oc1ccc(Br)cc1)c1nnc(Nc2ccc(Cl)cc2)o1 169553358 LPRZNPSHGSXUER-OAHLLOKOSA-N 408.683 5.759 0 1 HKAF CCOC(=O)/C=C\c1ccc(C(=C2C3CCCC2CCC3)c2ccc(O)cc2)cc1 207696411 RHVDRAUCYCKSOX-CTIBMPGRSA-N 402.534 6.371 0 1 HKAF in-vitro Cc1cc2c(cc1-c1ccc(NCc3c(F)cccc3Cl)nc1)OC(F)(F)O2 207720803 BYKSGIBZZYJFEU-UHFFFAOYSA-N 406.791 5.783 0 1 HKAF Cc1nc(-c2ccc(CSc3ccc(C(=O)Nc4ccc(F)cc4)cn3)cc2)no1 212118895 TUIPCNKMBFQDHM-UHFFFAOYSA-N 420.469 5.124 0 1 HKAF C/C1=C\C[C@H]2CCC[C@]3(CCC[C@@H]3C[C@@H](C)/C=C/[C@@H](O)/C=C(\Cl)CCOC1=O)N2 238742283 KPHNCVAOWROFRR-XUYBGVBZSA-N 422.009 5.017 0 1 HKAF CC(C)=CC[C@@H]1C(C)=CC[C@@H](c2ccc(O)cc2)[C@@H]1C(=O)c1c(O)cc(O)cc1O 238753733 LTYUEHHTNMCSPR-ZRCGQRJVSA-N 408.494 5.414 0 1 HKAF CC(C)COc1cc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2cc1Br 586882042 IOWNJTFOVULJJO-FPLPWBNLSA-N 415.287 5.229 0 1 HKAF CCCCC1CCC(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CC1 586892782 WMKMSQYEQKHZBK-UHFFFAOYSA-N 419.285 6.688 0 1 HKAF Cc1c(-c2ccc(OC(F)F)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586985399 CRODSGNIOCUKLY-UHFFFAOYSA-N 403.384 5.729 0 1 HKAF Cc1cc(Cl)cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586986019 UJTLWDHTGGHBLJ-SFHVURJKSA-N 404.739 5.472 0 1 HKAF Cc1c(-c2ccc(C3CCCCC3)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990758 GPXRPVWEYXKRTG-UHFFFAOYSA-N 419.524 7.175 0 1 HKAF Fc1c(Br)ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587013506 YRRKWILIPWKIQE-UHFFFAOYSA-N 417.101 5.228 0 1 HKAF Cc1cc(C)c(O)c(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)c1 587102601 YHMGILRPJGLOOS-UHFFFAOYSA-N 423.468 5.371 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CSCc3c(F)cccc32)[C@H]1c1ccc(F)cc1 587328377 ABEVVAZVNINQAU-JTHBVZDNSA-N 410.441 5.172 0 1 HKAF C[C@@]1(c2c[nH]c3ccc(Cl)cc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330057 MXEGPRXGLXQIOE-UPVQGACJSA-N 421.855 5.940 0 1 HKAF C[C@]1(c2ccnc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332313 RTHUULKGUCAOTI-TZIWHRDSSA-N 417.358 5.219 0 1 HKAF COc1cccc(-c2c(CCCOc3ccccc3)cnc3c2oc2ccccc23)c1 587363135 NPXKSQHOAKACKV-UHFFFAOYSA-N 409.485 6.668 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(C)cc(OCc4ccccc4)cc1C)[C@@H](C2)C3=O 587441102 CVRICERSDOKLJD-LVXARBLLSA-N 400.474 5.380 0 1 HKAF CCCC[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 587457065 DYZSWOXQSLPNLS-JOCHJYFZSA-N 417.343 6.158 0 1 HKAF O=C(O)CC[C@@]1(c2ccc3c(c2)CCCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587528497 AFQGLMFKMIKTIV-SANMLTNESA-N 404.506 5.170 0 1 HKAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 587539133 HVBTVPUKLFHMNL-WIYYLYMNSA-N 411.251 5.166 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(C(F)(F)F)c1 587549104 PXOMBQLARQQRKO-YLJYHZDGSA-N 404.315 5.253 0 1 HKAF CC(C)Cn1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccccc21 587575587 GANYFURJCUBIJE-URXFXBBRSA-N 414.461 5.101 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1ccccc1 587601082 QPYSHOQCLNIYFR-BVAGGSTKSA-N 410.425 5.887 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2cccc(C(F)(F)F)c2)N1 587710233 CNHSKNWEPDUXIR-FYNNODCOSA-N 414.240 5.896 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)cccc2C(F)(F)F)N1 587711015 IPHJGDCAVICPIV-VVVCHXIZSA-N 420.219 5.544 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(F)c(Cl)c2)N1 587714315 FGGFCMYYYIBRMY-QZTNRIJFSA-N 407.085 5.658 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3cc(OCc4ccccc4)ccc3O)nc2c1 587783081 WBWALOFLMMOXBP-UHFFFAOYSA-N 409.283 5.585 0 1 HKAF CCCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587797099 VRCIUUBERKYHIO-LRTDBIEQSA-N 422.338 5.399 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2ccccc2)(c2ccccc2)N1 587816083 TYDUKZIDIPXECN-CMJOXMDJSA-N 424.313 5.249 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(=O)C3CCC3)c2)N1 587816275 VYXUKSIPLFIBPP-FKIZINRSSA-N 402.307 5.195 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C3CC3)oc3ccc(O)cc23)N1 587829371 QKTXYDVEYFFPOS-FVINQWEUSA-N 416.290 5.541 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3cccc(O)c3)c2)N1 587831925 IKIFJBCXDDGCBG-DMZKTXOQSA-N 412.302 5.584 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCC3)Oc3ccccc32)N1 587839580 SXWZXAGTBONENO-ASSNKEHSSA-N 402.307 5.071 0 1 HKAF Cc1ccc([C@@]2(c3ccc(C(C)C)cc3)NCCc3cccc(-c4ccccc4)c32)nc1 962671613 TZKOHQLYCXYDFC-SSEXGKCCSA-N 418.584 6.618 0 1 HKAF CC(C)(C)OC(=O)N1CCC(F)([C@@H]2NCCc3cc(-c4ccccc4)ccc32)CC1 962672245 WFFPZKJXHUCQJQ-JOCHJYFZSA-N 410.533 5.280 0 1 HKAF C[C@]1(c2cc(F)c(F)c(F)c2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962951167 GBSSMZGMFUHNHO-LJQANCHMSA-N 415.377 5.038 0 1 HKAF CCCCOc1cc2c(cc1OC)[C@@H]1Cc3c([nH]c4ccc(OC)cc34)CN1CC2 1772606938 IRPNRZLXKKTDDJ-QHCPKHFHSA-N 406.526 5.020 0 1 HKAF O=S(=O)(c1cc(F)cc(F)c1)c1cnc2c(F)cccc2c1-c1ccccc1F 1857628068 OTHJFAGDPURDTM-UHFFFAOYSA-N 417.383 5.291 0 1 HKAF Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2c2ccc(-c3ccccn3)cn2)o1 1857766346 GVAYZZUKXHGHLR-AREMUKBSSA-N 406.489 5.678 0 1 HKAF CCOC(=O)Nc1oc2cnccc2c1N(C(=O)OCC)c1ccc(F)c(Cl)c1 1857770222 NDVFMFCPXUMVGD-UHFFFAOYSA-N 421.812 5.483 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356329209 XVNFRBRLEKVOLX-HWSUNCKOSA-N 412.702 8.233 0 1 HKAF CC=C(C)C(=O)N[C@@H]1C=C2CC[C@H]3C4=CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 2356409900 WKBYYEDQGZSMCP-KVGCCLPHSA-N 424.673 5.887 0 1 HKAF CC(C)CC[C@@H](O)[C@](C)(O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356524539 ISBSSBGEYIBVTO-PDKVRDFNSA-N 418.662 5.474 0 1 HKAF CO[C@H]1CC[C@@]2(CO)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1 2356764890 UNSXTSXNXGFMFK-UPQHOCQUSA-N 416.690 7.015 0 1 HKAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 4214967 FRPVYSJOQDFUBA-RPBOFIJWSA-N 420.597 6.314 0 1 HKAF Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCO[C@H](C)C1 13742567 NRKLXGGYHAGGCK-LJQANCHMSA-N 412.533 5.055 0 1 HKAF CCC(CC)Nc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br 13794750 RBEYRVOSQXMBNK-UHFFFAOYSA-N 417.355 5.005 0 1 HKAF COc1cc2c(cc1CC=C(C)C)[C@@H]1COc3cc(O)c(CC=C(C)C)c(O)c3[C@@H]1O2 14781045 YCYLVHIWXLJVIC-AFMDSPMNSA-N 422.521 5.734 0 1 HKAF endogenous,in-man Cc1cc2c(cc1[C@@H](O)c1ccc3cc(C(=O)O)ccc3c1)C(C)(C)CCC2(C)C 26722739 BIFNVRDSMOEDHI-DEOSSOPVSA-N 402.534 6.277 0 1 HKAF O=C(Nc1ccc(OCCN2CCCC2)cc1)c1ccc2oc3ccccc3c2c1 40567482 WNRIMBSROKHFCW-UHFFFAOYSA-N 400.478 5.313 0 1 HKAF C[C@H](CCCC(C)(C)N)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 40786015 PXBRKHPZKBDNFZ-ACGJLNTESA-N 401.679 6.470 0 1 HKAF CN(C)c1cc(N)c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c2n1 43076682 RMSIFGOTHNGALZ-UHFFFAOYSA-N 418.544 6.067 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4ccc(CN5CCC(CO)CC5)cc4)s3)nc12 45196445 QGJBDPHOOJSISG-UHFFFAOYSA-N 417.578 5.471 0 1 HKAF O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)s1)c1ccco1 45389642 MLQXWMXBRZGYCZ-UHFFFAOYSA-N 408.866 5.540 0 1 HKAF in-vitro Cc1ccc(NN2C(=O)O[C@@](C)(c3ccc(Oc4ccccc4)cc3)C2=O)c(C)c1 72106760 KRKGDZRDTZQMKI-DEOSSOPVSA-N 402.450 5.317 0 1 HKAF CCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 84669806 VFXCDBNYCFNJFY-UHFFFAOYSA-N 413.477 5.199 0 1 HKAF CCc1ccc2[nH]c3c(c2c1)C[C@]1(C)c2ccc(O)c(C(C)C)c2CC[C@H]1C3(C)C 95574126 SAFBQWDPJHJMGV-RBJSKKJNSA-N 401.594 6.913 0 1 HKAF C1=C(c2csc3ccccc23)C[C@@H]2CC[C@@H]1N2CCOc1cccc2[nH]ccc12 101019723 OJXKZZVZQUPMPM-OALUTQOASA-N 400.547 6.082 0 1 HKAF COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2ccccc2OC(C)C)C[C@H]1C 101956657 SRHGMBJUUYCDFO-AECOYVPUSA-N 420.509 5.354 0 1 HKAF Clc1ccc(/N=c2\nc(-c3ccc(Cl)cc3)n(Cc3ccccc3)s2)cc1 103190211 JOUDFGZSBCPACA-DARPEHSRSA-N 412.345 6.199 0 1 HKAF CSc1nc(-c2ccncc2)cn2c(-c3ccc(-c4cnc(C5CC5)[nH]4)cc3)cnc12 118863087 HVRRMGYCTNBKBG-UHFFFAOYSA-N 424.533 5.448 0 1 HKAF CCC(C)(C)NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 145584190 AGIRGXWEIKUSMN-OAQYLSRUSA-N 408.567 6.280 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1O)O2 200558413 PDOFMWDBNPYGEC-CEMXSPGASA-N 424.493 5.451 0 1 HKAF CC(=O)O[C@@H]1C/C=C(\C)CC[C@@H](C(C)C)[C@@H](OC(=O)/C=C/c2ccccc2)/C=C/1C 238753740 QXNHMPGONJBGRY-ZZDJCJAHSA-N 410.554 5.892 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253636199 QASMLJURBZXYNW-YBELTUMCSA-N 401.679 6.928 0 1 HKAF O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccccc6[nH]5)c34)c12 586883184 HTXFARFEUZQSLI-UHFFFAOYSA-N 414.464 6.902 0 1 HKAF Brc1cc2[nH]c(-c3ccoc3C3CC3)nc2cc1OCc1ccccc1 586900954 GYKHSVZFKIIKDH-UHFFFAOYSA-N 409.283 6.042 0 1 HKAF O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586908643 SNPREUZJCHZLHE-MRVPVSSYSA-N 402.294 5.181 0 1 HKAF O=C1c2ccccc2-c2cc(Cc3ccc(Br)cc3)nc3ccc(O)c1c23 586985132 RDXBCMIRNXTTFY-UHFFFAOYSA-N 416.274 5.505 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)cc2)n1 587020528 UUWMDVLNNOZNCO-UHFFFAOYSA-N 423.460 6.445 0 1 HKAF CCCCCOc1cc2nc([C@@H]3Cc4ccccc4S3)[nH]c2cc1Br 587041681 DCYYQEKQVRPPRJ-IBGZPJMESA-N 417.372 6.284 0 1 HKAF C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(F)cnc2[nH]1 587054482 KZXSRMSSWRBWLC-NSHDSACASA-N 418.255 6.336 0 1 HKAF COC(=O)c1cc(Cl)c2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2c1 587065258 WUBQMZJOGQJQKH-UHFFFAOYSA-N 417.248 5.495 0 1 HKAF N=C(N)c1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587070796 JMAILBFTSRTIIX-WDZFZDKYSA-N 402.885 5.250 0 1 HKAF Cc1c(Br)cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2c1C 587084743 GCUCFMZFCNDEFA-UHFFFAOYSA-N 413.706 5.720 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CN(C(=O)OC(C)(C)C)CCC4)-c1ccccc1C2=O 587099007 XZNSSBIPDLBFEB-UHFFFAOYSA-N 414.505 5.438 0 1 HKAF O=C1c2ccccc2-c2cc([C@@H]3CN(Cc4ccccc4)CCO3)nc3cccc1c23 587103791 AWBQWSOTTMRQPN-VWLOTQADSA-N 406.485 5.020 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Cl)c(F)cc4[nH]3)cc2F)c1 587143558 IQABNQOZQHEJIV-UHFFFAOYSA-N 414.795 5.535 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](CC2CC2)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 587326263 BHIOANLZNWLXBX-ZCYQVOJMSA-N 422.883 6.239 0 1 HKAF COC(=O)Cc1c(-c2ccccc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587362927 MVUXUITZNCXIIM-UHFFFAOYSA-N 423.468 6.039 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccnc1Sc1ccccc1Cl)[C@@H](C2)C3=O 587452765 PEWLIVBZGXNWAD-YCRPNKLZSA-N 409.894 5.384 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(Br)ccc2OC1(C)C 587458120 GNAYYGSAYFTWCK-OAQYLSRUSA-N 417.299 5.139 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(NC(=O)C(C)(C)C)c(Cl)n1)CC2=O 587460908 LBXXOLKHGLIRLP-GOSISDBHSA-N 416.905 5.084 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCc3nc(-c4ccc(F)cc4)sc31)CC2=O 587470741 HTIBHHVKLNDPDJ-XMMPIXPASA-N 423.509 5.804 0 1 HKAF O=C(O)CC[C@@]1(c2csc3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587535881 PCOIIUJKBTWWNP-DEOSSOPVSA-N 406.503 5.506 0 1 HKAF CC(C)(C)C[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543344 BJUTZIXYVFJGKO-BWKNWUBXSA-N 422.908 6.339 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]2c1ccccc1Cl 587549291 RMEDPRQRHMSYFF-JBUDQFAYSA-N 406.865 5.714 0 1 HKAF Cc1cccc(OCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1C 587563294 BLHXZFKJIBBJDR-UHFFFAOYSA-N 415.209 5.420 0 1 HKAF CCC(C)(C)c1ccc(OCc2nc3c(Br)cnc(Cl)c3[nH]2)cc1 587563910 BXPWPXKWDUJPIZ-UHFFFAOYSA-N 408.727 5.640 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c1oc1ccccc12 587617524 QAHRBJPURSISIH-BKMJKUGQSA-N 408.409 5.995 0 1 HKAF COc1ccc2oc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)c2c1 587618232 SQFDPHMOONAVCP-OFVILXPXSA-N 416.429 5.332 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCSc1ccc(Cl)cc12 587619681 UHQJZNAIPZNJQH-KNQAVFIVSA-N 410.878 5.399 0 1 HKAF COc1cc(C)c(Cl)c(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587691127 CETMTYYYCASFAU-GIGQVBGESA-N 412.730 5.491 0 1 HKAF CCc1ccccc1-n1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587756173 REDPCAGVLNDOGW-JLCFBVMHSA-N 413.334 5.565 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c1 587780732 ZTDMLNAIGARVSS-UHFFFAOYSA-N 412.537 5.047 0 1 HKAF COc1ccccc1C[C@@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804877 CTBQGYVMPYFFDL-QKKBWIMNSA-N 406.339 5.225 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587814916 JEAHHBGKJMQLLR-BXKMTCNYSA-N 424.357 6.031 0 1 HKAF CCc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)oc2ccc(C)cc12 587830339 SMEUKSUKSXKBBW-XMHCIUCPSA-N 416.334 6.003 0 1 HKAF CCCC[C@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 587831955 ANMVORCBKYAJBI-LRTDBIEQSA-N 420.322 5.285 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2nccs2)N1 587853455 NFUYAMVZKPABSW-BBATYDOGSA-N 403.320 5.335 0 1 HKAF O=S(=O)(c1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1)C(F)(F)F 587959789 VXPBOVZRXCUYII-UHFFFAOYSA-N 416.424 5.114 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc(CC5CCC(C)(C)CC5)[nH]c4c3)o2)cc1 587963934 WETLGTNTZWRTPJ-UHFFFAOYSA-N 416.525 6.047 0 1 HKAF Cc1ccc(Sc2nc3sccn3c2[C@@H]2NCCc3ccc(F)c(C)c32)cc1 962294282 BKQKVKBEZHUYQM-LJQANCHMSA-N 409.555 5.538 0 1 HKAF Cc1ccc([C@]2(CCc3ccc(F)cc3)c3ccc(F)cc3C[C@@H]3CCCN32)c(C)c1 963092679 AFELSJNPZFSVGG-LBNVMWSVSA-N 417.543 6.479 0 1 HKAF CN1CCc2c(Br)cccc2[C@]1(CC(C)(C)C)c1ccc(F)cc1F 963288488 CAQPSNLFADZSTA-OAQYLSRUSA-N 408.330 5.895 0 1 HKAF Cc1cc(-c2cc3cc(Cl)ccc3oc2=O)n(-c2nc(-c3ccccc3)cs2)n1 1857580049 LWRHEWJXLNZHEO-UHFFFAOYSA-N 419.893 5.731 0 1 HKAF Cc1cccc2c(C(=O)c3ccccc3Cl)cn(-c3ccc(C(=O)O)cc3F)c12 1857599996 RBPHCNCKGJRVLB-UHFFFAOYSA-N 407.828 5.661 0 1 HKAF CC1CCN(c2cc(C(C)(C)C)ccc2CNC(=O)Cc2ccc3c(c2)CCC3)CC1 1911573307 OBSVOQYADUXCPW-UHFFFAOYSA-N 418.625 5.568 0 1 HKAF COc1ccc2c3c(c(=O)oc2c1)[C@H](C)[C@@](C)(CCC=C(C)CCc1cc(C)co1)O3 2356368864 ARCTXLANJJGIEY-HFJWLAOPSA-N 422.521 6.317 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12 2356386477 KMHJTUNINWRWFT-UHFFFAOYSA-N 406.478 5.812 0 1 HKAF CC=C(C)C(=O)N[C@@H]1C=C2CC[C@H]3C4=CC[C@H]([C@@H](C)N(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 2356409902 WKBYYEDQGZSMCP-WECCALCXSA-N 424.673 5.887 0 1 HKAF CC=C(C)[C@H](O)[C@H](C)C=C(C)CC=CC(C)=CCc1nc(OC)c(OC)c(O)c1C 2356428143 ZQLBCAUKNYXILZ-KNQAVFIVSA-N 415.574 5.457 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@@]4(C)[C@@H](CC[C@@]21C)O3 2356479905 IKUYBMRKMWNUMR-JKRRBSOUSA-N 414.674 7.137 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCCC1=CC[C@H](C2=CC(=O)O[C@H]2O)O[C@H]1O 2356563497 GIRSFGZJCQRVIO-QLBJFCOMSA-N 416.558 5.021 0 1 HKAF CO[C@@H]1C[C@@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@@]2(C)c2ccc(C(C)C)cc21 2356648941 UUEITCHLKYSZKN-YENTXNKWSA-N 416.558 5.373 0 1 HKAF CC(=O)O[C@@H]1CC[C@@H]2C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 2356672216 ANZQHGMZAPLDMI-SPUAXTKZSA-N 414.674 7.569 0 1 HKAF COc1ccc([C@H](CCOC(=O)Oc2ccccc2)c2cc(OC)cc(OC)c2)cc1 203471966 RWALDKLYQAONKY-DEOSSOPVSA-N 422.477 5.450 0 3 HKAF CCN(CC)c1ccc(C)c(Nc2nc(-c3ccc(-n4cnc(C)c4)cc3)cs2)c1 6718184 GRQVVLXIWNGMLA-UHFFFAOYSA-N 417.582 6.202 0 1 HKAF S=C1Cc2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)nc2-c2ccccc2N1 13222602 WJZVWRUJHXZFJP-UHFFFAOYSA-N 412.945 7.031 0 1 HKAF Cc1nc(SCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2ccccc2n1 27556816 SAVLZXIXHKYUSD-UHFFFAOYSA-N 410.506 5.078 0 1 HKAF CC(C)=CCn1cc(-c2ccc(Cl)cc2)c([C@@H](c2ccccc2)n2ccnc2)c1 28470347 ULJRYPHSNIZEHZ-RUZDIDTESA-N 401.941 6.609 0 1 HKAF CC[C@@H](c1nc(SCc2ccc(OC)cc2)[nH]c(=O)c1C)c1c(F)cccc1F 28862880 GLCQLPQPSHBAOZ-MRXNPFEDSA-N 416.493 5.199 0 1 HKAF CCCc1cc(=O)oc2c3c(c4c(c12)O[C@@H](c1ccccc1)C=C4)OC[C@@H](C)C3=O 29133422 JZQJFDHWXUEDTM-RDTXWAMCSA-N 402.446 5.104 0 1 HKAF O=C(NC1CCCCC1)n1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1 40891681 OIQAKJMTFDOQDO-UHFFFAOYSA-N 415.324 5.809 0 1 HKAF CC(C)Cc1cn(-c2nc(-c3nc4ccccc4[nH]3)cs2)c2cc(Cl)ccc12 45321874 PCNARQYZDXOKFM-UHFFFAOYSA-N 406.942 6.482 0 1 HKAF CC1(C)CCC[C@@]2(C)[C@H]1CC=C1C[C@]3(C)CC[C@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC[C@@H]12 59779665 NIALLGCBSYYMNQ-STWLUSRISA-N 410.730 9.198 0 1 HKAF O=C(CCN1CCC(c2ccccc2)CC1)N[C@H](c1ccc(Cl)cc1)C(F)F 73224789 HFGYUSWPDIQUCY-OAQYLSRUSA-N 406.904 5.032 0 1 HKAF Fc1ccc(CCNc2cncc(Oc3cccc(Nc4ccccc4)c3)n2)cc1 82068440 QFJLFAHAEWMWQH-UHFFFAOYSA-N 400.457 5.806 0 1 HKAF CC[C@@H](C)Cn1c(-c2cccnc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82184967 HFNNLQQJDHGSIK-OAHLLOKOSA-N 406.921 5.200 0 1 HKAF CC[C@@H](C)Cn1c(-c2cccc(O)c2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82187879 VJJBQAFGMGLKTI-MSOLQXFVSA-N 415.541 5.461 0 1 HKAF CCCCCn1c(-c2cccs2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82221907 LAMKTGSZNWKZNB-UHFFFAOYSA-N 411.962 6.011 0 1 HKAF Fc1ccc(Nc2ccccc2-c2ncn(-c3cccc(C(F)(F)F)c3)n2)cc1F 89455714 WIIFMDKYOPIHPS-UHFFFAOYSA-N 416.353 5.975 0 1 HKAF COc1ccc(C(=O)CC[C@@H]2COc3cccc(OCC4CCCCC4)c3C2=O)cc1 96258425 GJXSGFBWHNULLU-HXUWFJFHSA-N 422.521 5.509 0 1 HKAF Fc1cccc(-c2nc3ccn(Cc4ccc(OC(F)(F)F)cc4)cc-3n2)c1F 100068525 QTYBVTHJXSKUBV-UHFFFAOYSA-N 405.326 5.275 0 1 HKAF CC(=O)NC[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1 100765863 WENHEKPPTKYAGG-UWUNEBHHSA-N 423.948 5.134 0 1 HKAF Cc1cccc(OCc2ccccc2-c2nc(-c3ccc(O)c(C(N)=O)c3)cs2)c1 103198595 JOTNTDMKUFDQCE-UHFFFAOYSA-N 416.502 5.169 0 1 HKAF O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(Oc2ccccc2)c(-c2ccc(Cl)cc2)c1 103247966 VRGKJDHYJZFRMQ-FGZHOGPDSA-N 422.912 5.228 0 1 HKAF CC1(C)O[C@H]2C3=C([C@H]2O1)[C@@H](c1ccccc1)[C@H](CCc1ccccc1)C=C/C=C/3CO 169296005 CFKPGEPVQJMZJF-YBAYKWQDSA-N 414.545 5.338 0 1 HKAF CC(C)(C)c1cc(=NC(=O)Nc2ccc(-c3cn4ccc(Cl)cc4n3)cc2)[nH]o1 473101880 KYALZMRLBPOASJ-UHFFFAOYSA-N 409.877 5.006 0 1 HKAF Cc1cc(Cl)c(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1Cl 586984852 BQOXTNGUYHETIT-UHFFFAOYSA-N 420.295 6.742 0 1 HKAF O=C1c2ccccc2-c2cc(Cc3ccc(OC(F)(F)F)cc3)nc3ccc(O)c1c23 586985759 FUCJWZIJKMHXAJ-UHFFFAOYSA-N 421.374 5.641 0 1 HKAF Cn1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)nc2cc(Cl)ccc21 586986989 WYFOWSFCGINUPO-UHFFFAOYSA-N 411.848 5.359 0 1 HKAF C[C@@H](C(=O)O)c1c(-c2ccccc2F)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586988154 FEMGISVUSDJTQA-GFCCVEGCSA-N 413.404 5.146 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(F)cc3Br)nc3ccc(O)c1c23 586988987 VLNRZZFOQVNBOY-UHFFFAOYSA-N 420.237 5.720 0 1 HKAF CCCC[C@H](OC)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586989850 RKHZBNQMLARZKI-VWLOTQADSA-N 423.512 6.697 0 1 HKAF COC(=O)c1ccnc2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc12 587011344 NPVAEQLDUZYNLH-UHFFFAOYSA-N 421.503 5.512 0 1 HKAF COc1ccc2nc(-c3nc4cc(-c5nc6ccccc6s5)ccc4[nH]3)sc2c1 587035973 YDXXACLAMJJLJS-UHFFFAOYSA-N 414.515 6.125 0 1 HKAF COc1cc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1F 587071370 KMJLXRQFWRPOOL-VTMMJTPISA-N 405.300 6.384 0 1 HKAF COc1ccc([C@H]2CCc3nc4c(C)ccc5c4c(c3C2)-c2ccccc2C5=O)cc1 587097899 OUCBJRDGIJPEJZ-SFHVURJKSA-N 405.497 6.036 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1cc(C(C)C)ccc1OCC4)-c1ccccc1C2=O 587100526 BXMABWBGIDEVPU-UHFFFAOYSA-N 405.497 6.480 0 1 HKAF Fc1cc(F)c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1Br 587136151 KIQODBILIQXIDD-UHFFFAOYSA-N 401.210 6.063 0 1 HKAF Fc1ccc(-c2ccccc2-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1F 587145122 IICKUEKKQKDNAY-UHFFFAOYSA-N 424.756 6.727 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 587196230 UYYVUYQDGSNFLC-UHFFFAOYSA-N 421.419 5.808 0 1 HKAF CC(C)[C@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)N(C)C(=O)OC(C)(C)C 587198037 RXKTWWLDNUZCMH-CQSZACIVSA-N 421.847 5.679 0 1 HKAF O=C(O)Cc1c(-c2csc3ccccc23)nc2cccc3c2c1-c1ccccc1C3=O 587207016 ATGKQONHTLLBKP-UHFFFAOYSA-N 421.477 5.955 0 1 HKAF CC[C@@]1(c2ccc(Cl)c(N)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330032 ZWVXCJCJKMCDFQ-GMAHTHKFSA-N 411.860 5.431 0 1 HKAF CCn1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587342916 QMTVXZDGSBRDRC-AZGAKELHSA-N 415.464 5.780 0 1 HKAF Cc1ccc([C@]2([C@@H](C)Oc3ccc(C=O)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587398911 GKZIXKQOFUFWPE-WXTAPIANSA-N 415.489 5.026 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(c1cccc(Cl)c1)CC2=O 587460957 JLGPNDHFDZHOEK-RUZDIDTESA-N 422.908 5.916 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2=O 587483477 CNKNKFQYLQXPNW-XAJLNHFYSA-N 419.565 5.371 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccccc2O[C@@H]1c1ccccc1 587484703 HUACJRUDOWMVGM-CLJLJLNGSA-N 414.457 5.065 0 1 HKAF O=C1CC(c2ccccc2Cl)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 587508749 SRPXPJPCDPHWBM-UHFFFAOYSA-N 423.339 6.781 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C(F)(F)F)cnc1Cl 587549584 QYIUGMCOVKJKRM-MAUKXSAKSA-N 421.758 5.162 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccc(F)cc2)n1 587568103 CSNHPYVPVRKXNL-SIKLNZKXSA-N 419.433 5.358 0 1 HKAF CCOC(=O)c1c(-c2cc(F)c(Cl)nc2Cl)[nH]c2ccc([C@@H](C)CC)cc12 587640447 DLMWSDHAHSQSHF-JTQLQIEISA-N 409.288 6.366 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)N(C(=O)CC(C)=O)c3ccccc3C)c2c1 587640897 CMCFWFWTTNEQPM-OAHLLOKOSA-N 404.510 5.451 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2ccc(Br)cc2)N1 587683624 VDYDPJXYNKRPJW-DYZYQPBXSA-N 413.128 5.169 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccc(Cl)cc3)on2)N1 587697765 MQKNIIDRYAWZDJ-DGIBIBHMSA-N 421.697 5.520 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCC(F)(F)F)c2)N1 587715975 ZACLQSXKLBVSJS-BMLIUANNSA-N 418.228 5.153 0 1 HKAF CC[C@H](C)c1ccc([C@]2(CC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587811469 GJIGPVIQEFINLH-DFFLPILJSA-N 404.367 6.290 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(c2ccccc2)c2ccccc2)N1 587812799 KQXIWIMNWYXERB-VOIUYBSRSA-N 424.357 6.170 0 1 HKAF Cc1cc(C)c2c(c1)[C@@]1(CCCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587833017 DPSXETDAMYWXQE-SPLOXXLWSA-N 404.323 5.155 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3cccs3)cs2)N1 587851739 IZMAGPQOWASJCI-MLCYQJTMSA-N 408.361 6.002 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2Cc2cccs2)N1 587852103 KLDVKTLGDHFXIJ-BUXKBTBVSA-N 405.336 5.123 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1csc(C(C)C)c1 587867447 ZMGYCLRGGHMTMZ-UHFFFAOYSA-N 408.445 5.841 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1ccc2ccccc2c1 587867679 MKUMLLBGSGROPC-UHFFFAOYSA-N 411.383 5.009 0 1 HKAF CC1=C(c2ccc3nc(/C=C\c4ccccc4Oc4ccccc4)[nH]c3c2)NNC(=O)C1 587951315 YIMFCABJOVEQSR-OWBHPGMISA-N 422.488 5.281 0 1 HKAF COc1ccc2c(c1)[C@@](Cc1nc3ccccc3[nH]1)(c1ccccc1)N(C(C)C)CC2 962094792 XMRHRMHWATXPOZ-HHHXNRCGSA-N 411.549 5.324 0 1 HKAF Cc1cc2c(cc1F)[C@@](c1ccccc1)(c1cccc(C(F)(F)F)c1F)NCC2 962148113 RANQIIWQVVKPJM-JOCHJYFZSA-N 403.394 5.730 0 1 HKAF Cc1ccncc1[C@]1(c2ccccc2Br)NCCc2cc(Cl)ccc21 963390215 GYQMNAXGNWZEDE-NRFANRHFSA-N 413.746 5.244 0 1 HKAF C[C@]12CC[C@@H]3c4cc(-c5ccccc5)c(O)c(-c5ccccc5)c4CC[C@H]3[C@@H]1CCC2=O 1772642396 FBTXKBQIMBEADF-MHFIUEFXSA-N 422.568 7.151 0 1 HKAF COc1cccc([C@@H](C)n2nnc3cnc4ccc(-c5c[nH]c6nccc-6c5)cc4c32)c1 1857605838 CRDIBCKQRGELTJ-OAHLLOKOSA-N 420.476 5.092 0 1 HKAF CC1(C)C(=O)CC[C@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2C[C@H]2O[C@@H]3CC[C@@](C)(O3)[C@H]3CC[C@]1(C)[C@H]32 2356422859 VUSLQOQDDBPUTM-LTEIVTCVSA-N 414.630 6.145 0 1 HKAF COc1cc(C=O)c(C=O)c(O)c1OCC=C(C)CCC=C(C)CCC=C(C)C 2356435613 HWVGIDRLIKEBPS-UHFFFAOYSA-N 400.515 5.824 0 1 HKAF CN[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@]35CC[C@]12C 2356487195 RXSFCOUBKQSZFV-LYWXVEBZSA-N 400.695 5.964 0 1 HKAF CC1=C[C@H](CNC(=O)C2CCCCC2)[C@@H](C(C)C)C[C@@H]1Cc1nc2ccc(C)cc2[nH]1 2356647349 JLYVYGVEWUYESF-DNVJHFABSA-N 421.629 5.965 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356654793 KLVOVVGNJIYRRP-NURSIYOLSA-N 412.702 7.801 0 1 HKAF CC=C(C)OC(=O)C[C@@H]1[C@H](OC(=O)C(C)=CC)CC[C@@H]2Cc3occ(C)c3C[C@]12C 2356727449 OGARMRCBNAUZBF-JKPKGCNWSA-N 414.542 5.454 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCCC1=CC[C@H](C2=CC(=O)O[C@@H]2O)OC1 2356798407 PGGSNPKCZWHNGG-NOZRDPDXSA-N 400.559 5.703 0 1 HKAF CC(=C[C@@H](C)CCC(=CCl)Cc1ccccc1)C(=O)N[C@@H](C)c1nccs1 2356799769 UVEMTFXECCTWBX-WMZOPIPTSA-N 402.991 6.048 0 1 HKAF CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)OC(C)=O)CC[C@H]4[C@@H]3CC[C@H]2C1 36386568 YIOKGGHYXBTRBA-BFSBGTEISA-N 402.575 5.449 0 3 HKAF N[C@@H](Cc1ccc(C(F)(F)F)cc1)c1csc(NC(=O)Nc2ccccc2)n1 61903437 ZETDECLQAQAOPV-HNNXBMFYSA-N 406.433 5.048 0 3 HKAF CCCCCCN1C[C@@H](n2cc(-c3ccc(F)cc3)nn2)[C@H](O)C[C@@H]1c1ccccc1 61923812 VZAAKSNVIDZHKA-UBFVSLLYSA-N 422.548 5.014 0 3 HKAF C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 6031045 DIFWJJFSELKWGA-BCORAJIESA-N 424.713 8.233 0 1 HKAF C[C@@H]1OC(=O)[C@@H](CCCCCCCCCCCCCCC2=C[C@@H](C)OC2=O)[C@@H]1O 13461876 VUIJDWDZUSJDNC-XMGTWHOFSA-N 408.579 5.242 0 1 HKAF biogenic O=C(N[C@@H](Cc1ccc(O)cc1)c1ccccc1)C(c1ccccc1)c1ccccc1 13741244 IODVRLYNAUHWGQ-SANMLTNESA-N 407.513 5.624 0 1 HKAF N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)c(Cl)cc2Cl)cc1 13797386 OKSJBOAOAKZVSY-UHFFFAOYSA-N 415.280 5.146 0 1 HKAF C[C@@H](CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 14822133 VZRNUXXRMJEXEA-SFHVURJKSA-N 403.529 7.456 0 1 HKAF biogenic COc1cc(-c2ccc(/C=C/C(=O)O)cc2)cc(C23CC4CC(CC(C4)C2)C3)c1O 28825691 YZZOLPXIRVELGV-QPJJXVBHSA-N 404.506 5.633 0 1 HKAF O=C(O)/C=C/c1ccc(-c2cc3c(c(C45CC6CC(CC(C6)C4)C5)c2)OCO3)cc1 28825692 YBGNRVCYLCJHHA-ZZXKWVIFSA-N 402.490 5.648 0 1 HKAF Oc1ccc(C2=C(c3ccc(OCCN4CCC4)cc3)c3ccccc3OCC2)cc1 40407297 MFDXIQNXGJGENZ-UHFFFAOYSA-N 413.517 5.218 0 1 HKAF CC[C@H](CO)Nc1nc(Nc2cccc(-c3ccccc3)c2)c2ncn(C(C)C)c2n1 40423488 USVXPNPRZGNNEQ-LJQANCHMSA-N 416.529 5.001 0 1 HKAF O=C(c1cc(F)ccc1F)N1c2ccccc2-c2ccccc2[C@@H]1c1cccs1 40425080 QWZCYSGQXCUYMZ-HSZRJFAPSA-N 403.453 6.443 0 1 HKAF Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(OCC(=O)O)cc1 40564027 ISPYKKIIADDGQB-UHFFFAOYSA-N 422.428 5.213 0 1 HKAF CO[C@@H]1OCC2=CC[C@@H]3[C@@](C)([C@H]21)[C@H](O)C[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]31C 58565917 BIJAKZXAJWXIHK-GLJICWRDSA-N 402.619 5.571 0 1 HKAF in-vitro CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CC[C@H]3CCCC[C@@H]3C2)C(C)(C)CCC1 72110293 ABLHXYIGRFMVBV-RUNBMPOPSA-N 421.669 7.557 0 1 HKAF CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc2c1OC(C)(C)CC2 95486052 INSMSALGNVLSAY-NRFANRHFSA-N 408.494 5.417 0 1 HKAF biogenic,in-vitro CCCCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(OC)cc1 100703520 IMXPSWGEUOPECX-KRWDZBQOSA-N 411.527 5.297 0 1 HKAF CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccsc2)C2=C(O)CC(C)(C)CC2=N1 103914529 NAMGTMSKHVTEJS-OAQYLSRUSA-N 407.535 5.936 0 1 HKAF COc1ccccc1[C@H]1Nc2ccccc2N=C2C[C@@H](c3cccs3)CC(O)=C21 104028265 LJPHCNPWBIXXSO-OYLFLEFRSA-N 402.519 6.386 0 1 HKAF CC(=O)N1c2ccc(-c3ccc(C(=O)O)cc3)cc2[C@H](Nc2ccc(C)cc2)C[C@@H]1C 117475170 PXXDOEMDQBOWHE-BXKMTCNYSA-N 414.505 5.659 0 1 HKAF C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H]1NCOC[C@]14C)N(C)C 142726877 WQJGXMIIUOPURY-OROJKWBISA-N 412.662 5.388 0 1 HKAF Cc1ccc(/C=C/c2nc3cc(-c4ccccc4NS(C)(=O)=O)ccc3[nH]2)cc1 142945686 YYAOTCPTWXCDQT-SDNWHVSQSA-N 403.507 5.080 0 1 HKAF CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)NC)ccc4n3CC3CC3)ccc21 145936717 CEILGBOGIPKMAN-UHFFFAOYSA-N 422.532 5.601 0 1 HKAF CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]([C@@H](C)/C=C\C(C)C)CC[C@H]32)C1 255216959 HJWVRQICRBWPME-NFQZBFFDSA-N 412.658 7.345 0 1 HKAF CC(C)C/C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 255224132 KUVJXIWTCCCGQO-ZHFUDHOHSA-N 400.691 7.491 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H](C(C)=O)CC[C@]23C)C1(C)C 255234992 MLAAWJXDCTXSPC-XGWMCFOASA-N 418.618 5.163 0 1 HKAF C/C(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/CO)[C@@H]1C=C2C(C)(C)C[C@@H](O)C[C@@]2(C)O1 257504788 OOJOUQLXWXASLN-CGDRYLEASA-N 410.598 5.751 0 1 HKAF endogenous,in-man Cc1ccc([C@@H]2[C@H](O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)C(=O)N2[C@@H](C)c2ccccc2)cc1 299839901 ZWRZTGXJMVKONR-IUSASLOISA-N 419.609 6.486 0 1 HKAF C=CC(=O)Oc1ccc2c(c1)[C@@]1(C)CCC[C@](C)(C(=O)OCc3ccccc3)[C@@H]1CC2 473126408 SPPQKNONBZLBKX-MVNQZMKCSA-N 418.533 5.532 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2cc(Cl)ncc2[nH]1 586981725 MTOSLGZLUCLHOK-UHFFFAOYSA-N 408.727 6.000 0 1 HKAF Cc1ccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2c1 587018780 PDLJMHRNWVNZKT-UHFFFAOYSA-N 402.350 6.628 0 1 HKAF COc1cc(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc(Cl)c1O 587046628 YTKVYGMFCHRQEJ-UHFFFAOYSA-N 411.683 5.147 0 1 HKAF Fc1cc(Cl)cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 587056220 KOHRRNNTIQUPIL-UHFFFAOYSA-N 411.647 6.501 0 1 HKAF Clc1ccccc1OCc1ccc(-c2nc3cnc(Br)cc3[nH]2)cc1 587063646 RIZBFMCECUDEDM-UHFFFAOYSA-N 414.690 5.620 0 1 HKAF FC(F)(F)c1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2cn1 587082642 TVTWPXMKKSQWHK-UHFFFAOYSA-N 424.813 6.512 0 1 HKAF Oc1ccccc1-c1cc(-c2nc3cc(Cl)cc(F)c3[nH]2)c2cccc(Cl)c2n1 587082876 WCMUYBFHHNAONF-UHFFFAOYSA-N 424.262 6.597 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC[C@@](C)(C(=O)OC(C)(C)C)C4)-c1ccccc1C2=O 587095784 AVPVDVPGJGCFCE-HHHXNRCGSA-N 413.517 5.591 0 1 HKAF O=C1c2ccccc2-c2cc(-c3nc(Br)ccc3F)nc3cccc1c23 587104643 ZYLSOEXDQHFFEM-UHFFFAOYSA-N 405.226 5.410 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)c1 587158530 NVDYETUQKPEBCS-UHFFFAOYSA-N 401.363 5.382 0 1 HKAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(Br)c(O)c4[nH]3)c2)c1 587160794 DJOZARLVYJSSRJ-UHFFFAOYSA-N 413.246 5.513 0 1 HKAF Cc1c(Cl)ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c12 587239702 NRJFDQFDIWSTGJ-NYFKNOIKSA-N 419.953 5.080 0 1 HKAF C[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331122 PIAYCVUTHCXFGE-IRLDBZIGSA-N 416.370 5.824 0 1 HKAF C[C@@]1(c2cc(Cl)cnc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336690 ZFVJLCBBCAZSIX-NQIIRXRSSA-N 418.251 5.507 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2Cc2ccccc2)[C@H]1c1ccc(F)cc1 587353288 ONYHAIGFYZGXLD-OICBGKIFSA-N 416.492 6.062 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(N)c(Cl)cc2C3)c1 587359279 FFBPGBNRGVOILQ-UHFFFAOYSA-N 412.876 6.463 0 1 HKAF COc1cccc(-c2cc(-c3ccc4[nH]c(O)cc4c3)nc3c2oc2ccccc23)c1 587364142 XUQWWYCWWWOEOC-UHFFFAOYSA-N 406.441 6.511 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ccc(Cl)cc3Cl)cc1)O2 587374653 INEKYFHZDDJPKJ-OAQYLSRUSA-N 414.288 6.383 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(C)C)nn(Cc3ccccc3)c1Cl)O2 587378140 AEYXEUXNRPPYED-LJQANCHMSA-N 409.917 5.305 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(C)(C)C)cc(Br)c1F)O2 587381372 IGJGOICJGVAGOW-QGZVFWFLSA-N 406.295 5.483 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cc(C(F)(F)F)ccc3Cl)o1)O2 587383624 ZFMVOYOFTVFXPF-IBGZPJMESA-N 421.802 6.216 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(COc4ccc(C(C)C)cc4)o1)[C@@H](C2)C3=O 587451987 CJEUIGDBISQEPO-NBGIEHNGSA-N 404.462 5.479 0 1 HKAF O=C1C[C@H](c2cc(C(F)(F)F)nn2C2CCCC2)Oc2c1ccc1c2CCCC1 587506630 KQKJEXSTOKKXKR-LJQANCHMSA-N 404.432 5.602 0 1 HKAF O=C1C[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)Oc2c1ccc1c2CCCC1 587516713 UTRKETWVPVLJSI-SANMLTNESA-N 420.512 6.125 0 1 HKAF O=C1C[C@@]2(C=C(c3ccccc3)Oc3ccc(O)cc32)Oc2c1ccc1c2CCCC1 587532979 RMGIHBPTEYXZLS-MHZLTWQESA-N 410.469 5.565 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C(=C\N(C)C)c2ccc(Cl)cc2)N1 587695649 BYGQHYWQRWDWCF-UUTZABGXSA-N 423.757 5.420 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2cccnc2)N1 587778968 PNLGANAZVHAIGP-ZSEKCTLFSA-N 413.290 5.399 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)CCC[C@@]31N[C@H](C)Cc2cc(Br)c(F)cc21 587802159 KMGLHFFZFHCFLR-DMZKTXOQSA-N 413.334 5.492 0 1 HKAF Cc1cc(C)cc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 587817679 DNXQXOUWKDOWDY-GYCJOSAFSA-N 424.357 6.496 0 1 HKAF CSc1scc2c1[C@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587852144 KMKRYIVABNEULI-XTZNXHDOSA-N 412.393 5.486 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2c(C)c(C)ccc2s1 587861525 SPZOSNLNYFEKJI-UHFFFAOYSA-N 418.349 6.471 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(Cc3cccc(F)c3)n2)cc1 587923209 VIBXQJCVZXWDHH-UHFFFAOYSA-N 402.469 6.827 0 1 HKAF O=C(O)CCCCCCCCCCCCc1nc2ccnc(Br)c2[nH]1 587956474 CYPIFRMHHRADBR-UHFFFAOYSA-N 410.356 5.639 0 1 HKAF CCNC(=O)c1ccc(NC2C3CC4CC(C3)CC2C4)c(NCc2ccccc2)c1 653740478 SQYUTFNBCWWECX-UHFFFAOYSA-N 403.570 5.285 0 1 HKAF c1ccc2oc(CNCCCCCCN=c3c4c([nH]c5ccccc35)CCC4)cc2c1 653764324 BFCQNBAYDZOIHV-UHFFFAOYSA-N 413.565 5.654 0 1 HKAF Clc1cc(Cl)cc(Oc2cccc([C@H]3NCCc4nc5ccccn5c43)c2)c1 962983679 LYOHAOPTEPUVKC-OAQYLSRUSA-N 410.304 5.669 0 1 HKAF COc1ccc2c(c1)[C@](C)(c1c(C(F)(F)F)cc(C(F)(F)F)n1C)N[C@H]1CC[C@H]21 962994655 LBYUQTVELZDOMD-HNJNHCNJSA-N 418.381 5.184 0 1 HKAF Cc1ccc2c(c1)[C@]1(C(=O)[C@@H](c3ccccc3)O2)c2ccc(F)cc2C[C@H]2CCCN21 963094721 CWULNNIMENYMCM-RMXYQJDTSA-N 413.492 5.101 0 1 HKAF Cc1nn(-c2ccccc2)c(N2CCCC2)c1[C@@H]1c2c(F)cccc2C[C@H]2CCCN21 963111482 SBJLSLUGNHTMCI-PXDATVDWSA-N 416.544 5.030 0 1 HKAF COc1cc([C@H]2c3cccc(Br)c3CCN2C)c(Cl)cc1OC(C)C 963289409 MGJQQUQUQQDDSW-HXUWFJFHSA-N 424.766 5.476 0 1 HKAF CCC1CCC2(CC1)S[C@@H](C)C(=O)N2NC(=O)c1[nH]c2ccc(Cl)cc2c1C 1911581795 FXUSTPHNFBZGEF-FHDQPZTMSA-N 419.978 5.035 0 1 HKAF CC1=CC[C@]2(C)CC[C@H](C(C(=O)O)C(=O)O)[C@@H]2CC=C(C)[C@@H]2CC[C@H](C)C2=CC1 2356325448 OVLRNGJHUUCIHT-CVEABCGNSA-N 400.559 5.853 0 1 HKAF CC(C)=C[C@@H]1C[C@]2(C)[C@H](CC[C@@]3(C)[C@@H]2CC[C@@H]2C[C@@]4(O)c5ccccc5N4C(=O)[C@H]23)O1 2356339586 QJYILEDZEZVBBD-GLZFKFKZSA-N 421.581 5.155 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356409306 FHHFCZVBBXBYQL-MCMWVWOJSA-N 416.646 5.539 0 1 HKAF C=C1C=C(CCCCCC=CCC=CCC=CCC=CCC=CCC=CCC)C(=O)O1 2356467418 PMKFHUDSBGNHST-UHFFFAOYSA-N 420.637 8.632 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C(O)C=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356721465 FRIHYFDWJYSSFE-HLBZKYDASA-N 412.658 7.217 0 1 HKAF COC(=O)c1c(C=Cc2ccccc2)cc(O)c(CC=C(C)CC=CC(C)(C)O)c1O 2356766280 VBMULIYRQCOLAA-UHFFFAOYSA-N 422.521 5.261 0 1 HKAF COc1cc(OC)c(OC)cc1/C=C/[C@H]1CCC=C[C@H]1c1ccc(OC)c(OC)c1 13384113 DPPUNDFHJDXSHJ-NFVPIQPQSA-N 410.510 5.493 0 1 HKAF CC1(C)C=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@]2(C)CC1 13385718 YVBDKBSSVHMQTJ-GYPOOIHASA-N 424.713 8.377 0 1 HKAF biogenic Cc1ccc(Nc2nc3ccc(C(=O)Nc4c(C)cccc4Cl)cc3s2)nc1 13536565 FXUKBIHMAPHRET-UHFFFAOYSA-N 408.914 5.957 0 1 HKAF CCc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 13557955 SAMXFFSJWUWYPP-UHFFFAOYSA-N 400.522 6.051 0 1 HKAF CC1(C)C=C([C@@]23C=C[C@@H](C2)[C@@H]2C(=C4CC(C)(C)NC(C)(C)C4)C=C[C@H]23)CC(C)(C)N1 13562425 YPNNEKSEHNACRE-PSDZOXHOSA-N 406.658 6.079 0 1 HKAF O=C(Nc1cc(Cl)c(Cl)cc1Cl)Nc1ncccc1OCc1ccccc1 13680245 CRHQABYRURQLML-UHFFFAOYSA-N 422.699 6.265 0 1 HKAF COc1cc2nccc(Oc3ccc(NC(=O)NC4CCCCC4)cc3)c2cc1OC 13684331 KVBWCMRDDFWCKD-UHFFFAOYSA-N 421.497 5.499 0 1 HKAF CC(C)CCn1c2c(ccc1=O)[C@@H](NCCc1ccc(Cl)c(Cl)c1)CCC2 13743288 SFYBZPXKAFOYMU-FQEVSTJZSA-N 407.385 5.411 0 1 HKAF O=C(N[C@H](c1ccccc1)C(F)(F)F)c1cc(-c2ccccc2)nc2ccccc12 13795641 ZSLSSZDNNDSSEF-JOCHJYFZSA-N 406.407 5.935 0 1 HKAF CCOC(=O)c1c(CN2CCc3ccccc3C2)nc2ccccc2c1-c1ccccc1 13862481 YWZCLCMUQBDVGZ-UHFFFAOYSA-N 422.528 5.637 0 1 HKAF Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(C(C)(C)C)cc12 28335813 OVXXSPQKZMLOPN-UHFFFAOYSA-N 411.973 6.602 0 1 HKAF Fc1ccc2[nH]cc(CCNC[C@@H]3CN(c4ccccc4)c4ccccc4O3)c2c1 28571773 NRBFTMKCXJZQSW-OAQYLSRUSA-N 401.485 5.038 0 1 HKAF OC1(c2ccccc2)CCN([C@H](c2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 28708192 GTMJMDBNWVOYOR-HSZRJFAPSA-N 411.467 5.778 0 1 HKAF O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc(OCc3ccncc3)cc21 64548534 JGQYOYJZDFYEQY-UHFFFAOYSA-N 420.468 5.057 0 1 HKAF Oc1ccc2cc1Oc1ccc(cc1)/C=C/c1cccc(O)c1Oc1cccc(c1)CC2 64564438 CXOXZTLVFGJSBL-UKTHLTGXSA-N 422.480 6.951 0 1 HKAF Cc1cc(C)nc(Sc2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2)n1 66104496 IJTZSFOCYFKNMG-UHFFFAOYSA-N 419.337 6.195 0 1 HKAF O=C(Nc1ccccc1)N1CCC(N[C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72101088 SOHHPWKMMBEFNR-HSZRJFAPSA-N 420.944 5.111 0 1 HKAF O=C(O)[C@@H]1CSc2c(-c3cccs3)c(Cc3cccc4ccccc34)cc(=O)n21 84687330 VOAXFIDIUKDRFF-SFHVURJKSA-N 419.527 5.052 0 1 HKAF CC1=C(CC/C(C)=C/CC/C(C)=C/CCC2=CC(=O)O[C@@H]2O)C(C)(C)CC[C@@H]1O 85998100 HIRZCXOPFLDJON-HNDSEYGGSA-N 402.575 5.519 0 1 HKAF COc1cc(OC)cc(C(=O)Nc2ccc(C)c(-c3ncc(-c4ccccc4)[nH]3)c2)c1 95578485 UAPTZRKLJGVDTE-UHFFFAOYSA-N 413.477 5.322 0 1 HKAF Cc1sc(Nc2cccnc2Oc2ccccc2C(C)(C)C)nc1C(F)(F)F 96272813 WKEMPOYEXIJENE-UHFFFAOYSA-N 407.461 6.699 0 1 HKAF COc1c(Cl)ccc2c1[C@@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 100722216 YAABMDXUEYQMOT-IRLDBZIGSA-N 404.873 5.247 0 1 HKAF COc1cc2c(cc1OC)[C@@H](c1ccc3c(c1)OCO3)C1=C(O)CC(C)(C)CC1=N2 102768546 NOBGDGWQNZRAGP-JOCHJYFZSA-N 407.466 5.283 0 1 HKAF OC1=C2C(=Nc3nc(SCc4ccccc4F)nn3[C@@H]2c2ccc(O)cc2)CCC1 104056659 GKVMMJGCDORQPQ-HXUWFJFHSA-N 422.485 5.087 0 1 HKAF COc1cncc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2ccccc2)c1 167577424 QDTOQTLRGNQRRC-NRFANRHFSA-N 402.494 5.020 0 1 HKAF Brc1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 167712671 PMSVAIFTDNTGIW-UHFFFAOYSA-N 423.299 5.136 0 1 HKAF CC(=O)[C@]12CCCC[C@@H]1C[C@H]1[C@@H]3C[C@H](C)[C@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 195209035 YYJQALYDDZZWSF-WPYCYZNBSA-N 400.603 5.335 0 1 HKAF C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)[C@@H]2[C@@H](C)OC(=O)[C@@H]2CC1(F)F 204922800 ZXVZGDFWMJMYDZ-BRUGUZGZSA-N 408.448 5.102 0 1 HKAF Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)c(C)c3)n3c2CCO[C@H](C)C3)ccn1 220970001 WCJSPVAWOKOZBV-OAHLLOKOSA-N 417.431 5.089 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@H]1CC3 253698643 RFSQQROZMSPZKI-HOBPUVRKSA-N 400.691 7.779 0 1 HKAF COc1ccc(-c2ccoc2)cc1[C@@H]1[C@@H]2C=CC[C@H](C)[C@@H]2C(=O)N1Cc1ccccc1 253961427 WYRUCDCEDBQBNX-XQHJKBQKSA-N 413.517 5.867 0 1 HKAF CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C[C@@H]5CC[C@]43C)[C@@H]12 255284000 YDLVXIYVBHVQSY-JBKIBYAKSA-N 400.691 7.469 0 1 HKAF CC(C)c1cc(C(C)C)c(S(=O)(=O)N2C[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2)c(C(C)C)c1 257372297 UPDRUSLBSAMXRH-ZRGHVXQMSA-N 401.616 5.499 0 1 HKAF C[C@H](/C=C/c1cccc[n+]1C)[C@H]1CC[C@@H]2C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 299811233 SXXFURSAPZIHGU-DUJHPSPHSA-N 420.661 6.100 0 1 HKAF CSc1cccc(N=c2[nH]c(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)c1 473086420 HWTPZYUXXFNKFI-UHFFFAOYSA-N 408.636 7.047 0 1 HKAF COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1OC1CCCC1 473126176 ZIIQYJOAYAEKNK-UHFFFAOYSA-N 410.517 6.741 0 1 HKAF CCN(Cc1ccc(C(=O)O)cc1)C(=O)c1ccc(Oc2ccccc2Cl)cc1 584598159 BIVGLZVHXLZIGP-UHFFFAOYSA-N 409.869 5.493 0 1 HKAF Cc1cccc(-c2ccccc2)c1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586878511 JBWWPNDGZYQOOH-UHFFFAOYSA-N 407.477 5.265 0 1 HKAF CCCC(Br)(CCC)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586970514 GAKNICWGFCLMRR-UHFFFAOYSA-N 401.352 5.585 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(-n5cncn5)cc4Cl)nc13)-c1ccccc1C2=O 586992590 HRBHZFYFMUZLBP-UHFFFAOYSA-N 422.875 5.656 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3cc4ccc(Br)cn4c3)nc2c1 587005928 ABGGUYJDKRYGOV-UHFFFAOYSA-N 405.093 5.316 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4cc(OC(F)(F)F)ccc4[nH]3)cc2)n1 587020367 PLTURWOKNRZMHD-UHFFFAOYSA-N 421.469 6.186 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc4c(c3[nH]1)CCCC4)N2 587031556 ONOUCQDQYKWXSK-NWRYFCBHSA-N 424.595 5.569 0 1 HKAF C[C@H](c1nc2cc(Cl)nc(Cl)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587130818 XFWBNEWYINNXIB-GSVOUGTGSA-N 416.593 5.599 0 1 HKAF COc1cccc(-c2cc(F)cc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2)c1 587159986 ANJSDQWNYBTMDK-UHFFFAOYSA-N 420.793 6.717 0 1 HKAF CCCCOc1cc2nc(-c3cc(OC)cc(C)c3N)[nH]c2cc1Br 587249220 FMERRFLXXDLHJN-UHFFFAOYSA-N 404.308 5.071 0 1 HKAF CC[C@@]1(c2ccc(Cl)c(N)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330031 ZWVXCJCJKMCDFQ-GGAORHGYSA-N 411.860 5.431 0 1 HKAF CC(C)(c1ccc(F)cc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332100 IWDWNVROJGBUJZ-DHLKQENFSA-N 408.444 5.766 0 1 HKAF COc1ccc2c(c1)CCCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348028 GDSJYKXEALVBST-RSXGOPAZSA-N 418.464 5.521 0 1 HKAF COc1cccc(-c2cc(-c3ccc4cc(C)ccc4c3)nc3c2oc2ccccc23)c1 587364801 DUFOJUNXVXQWJS-UHFFFAOYSA-N 415.492 7.785 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCc1ccccc1)(Cc1ccc(Cl)cc1)O2 587377815 KGGXUGCIQNUVAK-AREMUKBSSA-N 419.952 6.200 0 1 HKAF CCOc1ccc([C@]2(c3ccc(Cl)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587379973 ZNCGPXOYRUMCLV-XMMPIXPASA-N 407.897 5.538 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C=C(SC)SC)(c1ccccc1)CC2=O 587489149 AZJGMTQJYLLWME-QFIPXVFZSA-N 400.565 5.773 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(Cl)s1)CC2=O 587489297 CDZXOQUEJGFRIS-ZDUSSCGKSA-N 401.709 5.529 0 1 HKAF O=C1C[C@H](c2cc3cc(C(F)(F)F)ccc3s2)Oc2c1ccc1c2CCCC1 587509982 VDPXQEDXRAJDNN-GOSISDBHSA-N 402.437 6.505 0 1 HKAF O=C1C[C@@](c2ccc(F)cc2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587510857 XQEANGBHGOJKQJ-VWLOTQADSA-N 406.884 6.267 0 1 HKAF O=C1CC2(CCC3(CCCN3Cc3ccccc3)CC2)Oc2c1ccc1c2CCCC1 587519304 YJLFZCMRFAWHIH-UHFFFAOYSA-N 415.577 5.878 0 1 HKAF CC(C)=CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587597813 RYIYYBZDVRKYNF-RCZVLFRGSA-N 402.446 5.440 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C1CCCCC1 587604601 XHLIDBMMQUTHGC-BVAGGSTKSA-N 400.474 5.830 0 1 HKAF CC(C)c1cc([C@]2(C(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587608228 KEYMTZGVIGEPTD-OZXSUGGESA-N 418.489 5.734 0 1 HKAF CCOC(=O)Cc1[nH]c2ccc([C@@H](C)CC)cc2c1NC(=O)OCc1ccccc1 587642378 LSDFPBPAMTXLGC-INIZCTEOSA-N 408.498 5.536 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc3ccc(Cl)cc23)N1 587696432 KKTOBGMUCAVGNO-APBUJDDRSA-N 405.698 5.413 0 1 HKAF CC[C@@]1(c2cccc(Cl)c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587724865 MBJVNCMXSFUMRY-YPMLDQLKSA-N 400.694 5.569 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2Cc2ccccc2F)N1 587729656 WKVZQJVLFIRYOU-ZSEKCTLFSA-N 417.297 5.201 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)(C2CCCCC2)N1 587772916 PRKMNTMXFSOTKC-SZNDQCEHSA-N 403.339 5.341 0 1 HKAF CC(C)CCOc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587795693 RHBSMVJEARAVGZ-QKKBWIMNSA-N 406.339 5.637 0 1 HKAF CCOc1cccc(OCC)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587803812 XZVFJNDCUSNYSD-ASSNKEHSSA-N 422.338 5.183 0 1 HKAF CCCCC[C@@]1(c2ccc(O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587836242 ZYXSXXOCIJWAGU-QKKBWIMNSA-N 406.339 5.652 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cs2)N1 587845439 RCMYEJKBXZHVJF-AYVTZFPOSA-N 419.157 5.210 0 1 HKAF COc1ncccc1-c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587922402 DAJWGPXVFKGYPV-UHFFFAOYSA-N 401.466 6.168 0 1 HKAF CSc1ccc(CC[C@]2(C3CCCC3)NCCc3c(Cl)cc(Cl)cc32)cc1 963117343 YNHQKGAQOOGKOO-HSZRJFAPSA-N 420.449 6.879 0 1 HKAF Cc1ccc([C@@H]2SCCC(=O)N2CCNc2ccnc3cc(Cl)ccc23)cc1 1772580536 NVTIAVJQGRAZDR-QFIPXVFZSA-N 411.958 5.273 0 1 HKAF C[C@H]1c2cc(F)ccc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)Nc1cccnc1 1772588431 PQGYIWNCWOVQQQ-MSOLQXFVSA-N 404.489 5.225 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@H](CO)CC[C@]4(C)[C@@H]3CC[C@@]12C)C(C)C 2356312489 CDSMIJAJMQGGLT-QHMVEUATSA-N 414.718 7.882 0 1 HKAF CC(C)[C@H](C)[C@@H](C)C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356445224 YWMIDHFXAUEUTC-HBJJXLPESA-N 414.718 7.881 0 1 HKAF CC(C)[C@@H](C)C[C@@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356452307 LSZJAIFORSLKOY-UYIJQFQSSA-N 416.690 6.606 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356668063 BVVFRHKBULZQCQ-VVSWNOLZSA-N 414.718 8.313 0 1 HKAF CCCCCC[C@@H]1C[C@H]1CCCCCCCCCCCCCCCCCCC(=O)O 2356801559 RPNFNNATVBCDMF-KAYWLYCHSA-N 422.738 9.699 0 1 HKAF CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl 4296901 IXODKNIAJHXDEU-MJGOQNOKSA-N 409.288 5.141 0 1 HKAF COc1cc(-c2cscc2-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 6483703 NAHSFJRLXKIAIP-UHFFFAOYSA-N 416.495 5.134 0 1 HKAF Cc1ccnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1C 13610249 MFZNONRIQYSLMZ-UHFFFAOYSA-N 411.509 5.137 0 1 HKAF O=C1[C@H](c2ccc(Br)cc2)N(c2ccccc2)C(=S)N1c1ccccc1 13680163 IWLRCWFHYARFJX-IBGZPJMESA-N 423.335 5.329 0 1 HKAF CCN1CCN(CC)[C@H](c2ccc(OC)cc2Cl)[C@@H]1c1ccc(OC)cc1Cl 26392982 ZXZWPCGKVVDSSQ-SZPZYZBQSA-N 423.384 5.450 0 1 HKAF Cc1ccc(Sc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)cc1 28528624 CYFPWLVQRMBKSE-UHFFFAOYSA-N 410.542 6.156 0 1 HKAF CC(C)(C)c1cc(NC(=O)c2cc(Br)ccc2O)cc(C(C)(C)C)c1 28863466 KGUKNIWWYANDCA-UHFFFAOYSA-N 404.348 6.002 0 1 HKAF CC1=NN(C(=O)Nc2ccc(Cl)cc2)C(C)=NN1C(=O)Nc1ccc(Cl)cc1 40504863 GASULPBZBKVJSC-UHFFFAOYSA-N 419.272 5.042 0 1 HKAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 40861646 ORPDGDBKUOHGBE-PGAJIAHISA-N 401.723 7.696 0 1 HKAF Cc1cc2nc(-c3ccc(C(=O)NCc4cccc(C(F)(F)F)c4)cc3)[nH]c2cc1C 45188523 BXILNLAUMXNAGH-UHFFFAOYSA-N 423.438 5.796 0 1 HKAF FC(F)(F)c1ccc(Nc2noc3cc(-c4cccc(C(F)(F)F)c4)ccc23)cc1 45290522 RYQIHOBVVIXKHC-UHFFFAOYSA-N 422.328 7.276 0 1 HKAF COC(=O)C1=CC2=CC[C@H]3[C@@H]4CC[C@H](C(=O)c5ccccc5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 62233609 AGWLVIYLIXLESA-FTIQDDARSA-N 418.577 6.158 0 1 HKAF biogenic CC(=O)O[C@@H]1CC[C@H](OCCCc2c(-c3ccccc3)sc3ccccc23)O[C@H]1C 66112341 OJIXBNBPTZOXHX-VXWZWFMZSA-N 424.562 5.974 0 1 HKAF C[C@@H](NCc1coc(-c2ccccc2Br)n1)c1cccc2ccccc12 72103569 CIPOSSXWGILRRE-OAHLLOKOSA-N 407.311 6.108 0 1 HKAF CC(C)(C)c1cccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)c1 72178604 ZDNIGERMTRRNNJ-WXJBELMVSA-N 418.621 6.520 0 1 HKAF O=C(Nc1ccccc1)c1cccc(Oc2cncc(NCC3CCCCC3)n2)c1 82068624 VXCAYGBCHGNTEM-UHFFFAOYSA-N 402.498 5.513 0 1 HKAF CC(C)(C)Cc1c(-c2cc(F)ccc2F)sc(N)c1C(=O)c1ccc(Cl)cc1 103226657 CXQBKIYPQAKTHO-UHFFFAOYSA-N 419.924 6.749 0 1 HKAF O=C(Nc1ccc(Br)cc1)N[C@H]1CC[C@H](Oc2ccc(F)cc2)CC1 103235700 NLBYUTBQNBLSRJ-MAEOIBBWSA-N 407.283 5.100 0 1 HKAF Cc1ccc(-c2c([C@@H](OC(C)(C)C)C(=O)O)c(C)nc3sc4c(c23)CCCC4)cc1 113122789 KGZUOAKLAQZEMA-JOCHJYFZSA-N 423.578 6.400 0 1 HKAF C[C@@H]1[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1[C@@H]3CC=C(c4cncc(C(F)F)c4)[C@@]3(C)CC[C@@H]12 141074035 RBGBTXNNGSQRNJ-KVUZYAGXSA-N 415.568 6.662 0 1 HKAF NC1(c2ccc(-c3nc4c5cc(F)ccc5nn4cc3-c3ccccc3)cc2)CCC1 143446503 DDQJLKFYSZVBRD-UHFFFAOYSA-N 408.480 5.694 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCCC(=O)N1Cc1ccccc1-c1ccccc1 166711955 HNVARYMSRAYOLM-HSZRJFAPSA-N 415.533 6.015 0 1 HKAF C[Si](C)(C)C(Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1 195502982 VQHVLUMAABPAGI-UHFFFAOYSA-N 412.721 7.895 0 1 HKAF COc1cccc(OC)c1[C@H]1CCC(=O)N1Cc1ccc2oc3ccccc3c2c1 215900922 FHPANOIZEGWXAC-LJQANCHMSA-N 401.462 5.467 0 1 HKAF CC(C)C1=CC[C@]23[C@@H](O)CC[C@@H](C)[C@]2(C)[C@H](O)C[C@@H](C)[C@@H]3[C@H]1c1c[nH]c2ccccc12 238768129 GPFSZBMHJJSJDS-HOKLEJJUSA-N 421.625 6.038 0 1 HKAF CN1[C@H]2CC[C@H]1[C@@H](C(=O)OCCc1ccccc1)[C@@H](c1ccc(Cl)c(Cl)c1)C2 261117087 IYCQCLWRGXVAAB-UDKICSLYSA-N 418.364 5.346 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](CO)[C@H]1CC3 261498597 UPEGTKGKNWDIAN-ZMWYWQKYSA-N 416.690 6.751 0 1 HKAF endogenous,in-man COc1cc(C(=O)c2ccc(Cl)cc2)cc(OC)c1-c1cc(Cl)cc(Cl)c1 473097970 DYFVKJLTKQGMJQ-UHFFFAOYSA-N 421.707 6.562 0 1 HKAF CN(C(=O)c1ccc2ncsc2c1)c1ccc(OCc2ccc3ccccc3c2)cc1 473099617 GXTSGARJWZWLSW-UHFFFAOYSA-N 424.525 6.305 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cnc(Br)cc3[nH]2)cc1 586879143 KRIFGDIWUAWUKK-UHFFFAOYSA-N 408.255 5.061 0 1 HKAF FC(F)(F)Oc1cc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586884104 NXSUCNCWSFIMOH-YBIKONCISA-N 415.253 5.692 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](C(=O)c1ccccc1)CCC3 586989579 BSPRWOINUOZDKH-IBGZPJMESA-N 405.453 5.455 0 1 HKAF Fc1cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c(F)c1F 587015622 SOXDDJPOYCABMD-UHFFFAOYSA-N 400.212 6.078 0 1 HKAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(Oc3ccccc3)cc2[nH]1 587041982 GKVRTAHGJPYJMA-FQEVSTJZSA-N 421.909 5.664 0 1 HKAF CCCCOc1cc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2cc1Br 587056006 GMMBBUFODLTFAG-OAHLLOKOSA-N 422.754 5.400 0 1 HKAF Cc1ccnc2[nH]c([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc12 587057467 XEFCPODYBGPHBB-ZDUSSCGKSA-N 414.292 6.505 0 1 HKAF Clc1cccc(COc2ccc(/C=C/c3nc4cc5ccccc5cc4[nH]3)cc2)c1 587069627 FUKKKFXSLAHIKQ-JLHYYAGUSA-N 410.904 7.119 0 1 HKAF FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(cnc3ccccc32)[nH]1 587091732 OKEXGECUHPIIES-UHFFFAOYSA-N 412.293 5.133 0 1 HKAF Cc1ccc(Cc2nc3ccc(I)cc3[nH]2)cc1C(F)(F)F 587095488 GRHNXNSXVFIMIH-UHFFFAOYSA-N 416.184 5.086 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]3c1ccc(C(F)(F)F)cc1 587102574 ARQQZDRLMLLFID-MRXNPFEDSA-N 415.414 6.543 0 1 HKAF Cc1nc2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc2cc1Br 587153396 ZKIQMBXPHZJUMH-GOSISDBHSA-N 411.278 5.369 0 1 HKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1 587157486 AASQERGTIQYSIO-UHFFFAOYSA-N 420.443 6.080 0 1 HKAF CCCCOc1cc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1Br 587163633 NJIQFOPWYNEHNW-LJQANCHMSA-N 420.326 5.294 0 1 HKAF CCCOc1cc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2cc1Br 587163652 TWQIUGNRCDTTPN-UHFFFAOYSA-N 405.267 5.069 0 1 HKAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)c(C2CC2)n1 587231840 GFWXZNSEMHEOAE-UHFFFAOYSA-N 421.545 5.220 0 1 HKAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(Cl)cc(Cl)c4[nH]3)c2)c1 587232206 OHRSHEHBQPXFNW-UHFFFAOYSA-N 410.304 5.487 0 1 HKAF C[C@]1(c2ccc(C(F)(F)F)nc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333444 VZNOCPBKAXDXPT-PZJWPPBQSA-N 417.358 5.219 0 1 HKAF CCCCCc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587357880 WHHSWCVFAFEWAY-XNMGPUDCSA-N 418.508 6.538 0 1 HKAF COCOc1cccc([C@]2(c3ccccc3Cl)CC(=O)c3cc(C)cc(N)c3O2)c1 587376423 CGYQVXVDFMVDIM-DEOSSOPVSA-N 423.896 5.122 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc4c(c3)CCCC4)[nH]c3ccccc13)O2 587397048 REXHDSCNSONQSY-VWLOTQADSA-N 422.528 6.311 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC)(c1cc(Br)ccc1F)CC2=O 587466977 OOOVRBNIZHEGHF-FQEVSTJZSA-N 407.279 5.517 0 1 HKAF CCCCCS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587481299 BECQMOPEJSPUTR-JOCHJYFZSA-N 416.539 5.015 0 1 HKAF CCCC[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587504238 QNGZUPVDDFBYHJ-HSZRJFAPSA-N 413.355 6.379 0 1 HKAF O=C1C[C@H](c2cc(Cl)c(Br)cc2F)Oc2c1ccc1c2CCCC1 587505421 MZKATTSFAOUUMA-GOSISDBHSA-N 409.682 5.827 0 1 HKAF O=C1C[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)Oc2c1ccc1c2CCCC1 587505537 HTKFMUKMMCGIDR-JOCHJYFZSA-N 412.407 6.551 0 1 HKAF COc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587541038 DCWDDSKVMQFETJ-YLJYHZDGSA-N 417.244 5.411 0 1 HKAF Cc1cc(N2CCCC2)c(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554842 FMTMMIUCYJFHNL-DHLKQENFSA-N 419.452 5.143 0 1 HKAF C[C@]1(c2ccc(Cc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603842 RWJBGYRXSCSYAP-LEAFIULHSA-N 422.480 5.860 0 1 HKAF CCOC(=O)c1c(-c2ccccc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12 587621707 HPABYWQJUSTHRK-UHFFFAOYSA-N 418.678 5.304 0 1 HKAF Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1C 587758412 XLPMHXZSVHBAFS-XUSGNXJCSA-N 401.323 5.186 0 1 HKAF CCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC 587797567 WDWHWRVREDDIKJ-ASSNKEHSSA-N 422.338 5.399 0 1 HKAF CC1=C[C@]2(C[C@@H](c3ccccc3)C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587816746 CKQODCKZFVAAHI-LZFQIVBZSA-N 400.335 5.842 0 1 HKAF CC/C=C/C[C@H]1[C@H](CC(=O)O)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587831948 YDRQYHQAZYDAIO-AGNCQHNZSA-N 424.354 5.175 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Nc1ccc(N(C)C)cc1 587865929 PQEOLKWZDHOROI-UHFFFAOYSA-N 418.419 5.114 0 1 HKAF O=C(CCCOc1ccc(Cl)cc1Cl)n1nc2cc1Oc1ccc(F)cc1-2 587873880 LCURYXYFCYKTLN-UHFFFAOYSA-N 407.228 5.601 0 1 HKAF COc1cccc(-c2cc(O)cc(-c3nc4cc(Br)cc(F)c4[nH]3)c2)c1 587932438 FKIZZSFTMQFYFA-UHFFFAOYSA-N 413.246 5.513 0 1 HKAF COc1cc2oc(-c3cn4nc(C(C)(F)F)sc4n3)cc2cc1Br 653662927 MIUYTIIUOMLBGC-UHFFFAOYSA-N 414.231 5.087 0 1 HKAF Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H]1c2ccsc2CCN1Cc1cccn1C 962374191 OQHLIWYYFFBPOO-XMMPIXPASA-N 420.557 5.176 0 1 HKAF Cc1cccc(Br)c1[C@]1(C)c2ccsc2CCN1Cc1ccco1 962705269 KYNGVLJLAJZGPN-FQEVSTJZSA-N 402.357 5.734 0 1 HKAF CC[C@@H]1S[C@H](C)C[C@]2(NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)[C@@H]1C 962950980 FPWVLHWLOXJNGG-PIPIOBNBSA-N 413.549 5.492 0 1 HKAF CCCc1ccc([C@]2(c3ccc(F)c(F)c3)NCCc3nc4ccccn4c32)cc1 962987261 VPEZCRYNSXOVDF-RUZDIDTESA-N 403.476 5.003 0 1 HKAF CCCCOc1ccc(Br)cc1[C@@H]1c2c(F)cccc2C[C@H]2CCCN21 963109737 PWNHATPIBHZAKZ-VGOFRKELSA-N 418.350 5.877 0 1 HKAF CNc1cccc2c1[C@]1(NCCc3c(Cl)cc(Cl)cc31)c1ccccc1C2=O 963112000 SRCZMDJSRAAHBW-QHCPKHFHSA-N 409.316 5.017 0 1 HKAF CCC[C@@]1(c2ccsc2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963181714 RASQBTZGYOZESG-WBVHZDCISA-N 403.853 5.063 0 1 HKAF CN(C)CCOc1ccc(/C(=C(/CCCF)c2ccccc2)c2ccc(O)cc2)cc1 1772627043 BGMSYZADXHOOKI-RQZHXJHFSA-N 419.540 6.041 0 1 HKAF COc1ccc2nc3c(-c4ccco4)n(Cc4ccc(C(F)(F)F)cc4)ccc-3c2c1 1857571279 NELUFJHNNKRXQY-UHFFFAOYSA-N 422.406 6.477 0 1 HKAF C[C@H](CCC=C1CC1)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H](O)CC[C@]45C[C@]35CC[C@]12C 1857571435 JPBYBCDJWOLHTR-XLSCJHGBSA-N 424.713 7.923 0 1 HKAF Brc1ccc2nc(-c3ccc4nccn4c3)c(NC3CCCCC3)n2c1 1857620728 UDECLISAMFVFAC-UHFFFAOYSA-N 410.319 5.156 0 1 HKAF Cc1noc(C)c1-c1ccc(C(=O)N2[C@H](C(=O)O)CC[C@@H]2c2ccccc2Cl)cc1 1857746935 XAUPJOHWXCIAKH-UXHICEINSA-N 424.884 5.042 0 1 HKAF C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5CCC=C(O)[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CN2 2356332114 ABWGJSLIJIBLBD-FBZJPBEQSA-N 413.646 6.058 0 1 HKAF CC(C)CNC(=O)C=C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C=C[C@@H]1C[C@H]1C 2356387438 SZYJBOHZBFNTMP-VWIHVIMLSA-N 407.642 5.708 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356517587 NWNQHWKXHQAOFV-LJUXCICSSA-N 416.690 6.606 0 1 HKAF COc1cc2c(cc1C=C(C)C)[C@H]1COc3c(ccc(OC)c3CC=C(C)C)[C@@H]1O2 2356720053 OWVQBBXRFSSWLP-RLWLMLJZSA-N 406.522 6.245 0 1 HKAF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(C(C)C)cc1 775083 AOZNGUNRNPMBEZ-IIBYNOLFSA-N 424.516 5.408 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1c2n(c3ccccc13)C[C@H]1OC(C)(C)O[C@@H]21 5550828 GUQHSHGDGQDAHV-NCRVWVENSA-N 411.542 5.465 0 1 HKAF CCc1cc(-c2ccc(C)cc2)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 13744112 NONQEGZWXSTSHQ-UHFFFAOYSA-N 408.546 5.360 0 1 HKAF Fc1ccccc1CO[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 13744481 CWSRCSCGTHQTFM-KAYWLYCHSA-N 401.525 5.637 0 1 HKAF O=C(Nc1cc(-c2ccccc2)ccc1N1CCNCC1)c1cccc2ccccc12 14962012 LGCAWTUFLILYSL-UHFFFAOYSA-N 407.517 5.169 0 1 HKAF COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@H]23)cc1OC(F)F 26573145 VKQDIKWPKDHRJH-ROUUACIJSA-N 418.484 5.148 0 1 HKAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C(F)(F)F)cc1 26673239 IUEKGWRRGZCQGX-UHFFFAOYSA-N 400.422 5.495 0 1 HKAF C(=C\c1ccc2nc(-c3ccc(/C=C/C4=NCCS4)cc3)cn2c1)\C1=NCCS1 27435870 PIPMWBLCKNUNAI-FTBRZUGYSA-N 416.575 5.318 0 1 HKAF CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCC3 28948560 BSAWGIGUCOKLPX-UHFFFAOYSA-N 414.596 5.617 0 1 HKAF CNc1ccc(/C=C/c2ccc(-c3nc4cc(OCCCF)ccc4s3)cc2)cc1 29129088 GCMHRLXYLNIMNJ-ONEGZZNKSA-N 418.537 6.914 0 1 HKAF Cc1csc(-c2cc(-c3ccc(Cl)cc3)c3n(c2=O)CCCc2ccncc2-3)n1 29400628 YIGPWWJHDOXRHC-UHFFFAOYSA-N 419.937 5.609 0 1 HKAF CCc1nc(-c2ccc(OC)cc2OC(F)(F)F)c(CC)nc1NC(CC)CC 38395961 UTJKWHBHHYMSMP-UHFFFAOYSA-N 411.468 5.776 0 1 HKAF COC(=O)[C@@H](Oc1ccc2c(c1)CCC2)c1ccc(Oc2ccc(Cl)cc2)cc1 39242713 KQEHMRXLUYYGDE-QHCPKHFHSA-N 408.881 5.914 0 1 HKAF COc1ccc(-c2cc3nccc(-c4ccc(OC)c(OC5CCCC5)c4)n3n2)cc1 45370625 AKNFCRWBEBTKLD-UHFFFAOYSA-N 415.493 5.402 0 1 HKAF Cc1cccc[n+]1CCCc1ccc(-c2ccc(CCC[n+]3ccccc3C)cc2)cc1 45386515 QALLEKDDECFDSG-UHFFFAOYSA-N 422.616 5.811 0 1 HKAF O=C(O)c1ccccc1-c1ccc(CCc2ncc(Cc3ccccc3Cl)[nH]2)cc1 49089167 DVTBLOTZNMETOX-UHFFFAOYSA-N 416.908 5.804 0 1 HKAF Cn1c(-c2ccc(-c3cncnc3)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1 71315861 GDYZOSVGSBKPLL-UHFFFAOYSA-N 401.901 5.063 0 1 HKAF Cc1cc(CN(C)C)cc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 71331411 ZVXCIXVUYFATOM-UHFFFAOYSA-N 417.336 6.184 0 1 HKAF Cc1ccc(CSc2nnc(-c3ccc4c(c3)OCCO4)n2-c2ccccc2)cc1 72116795 SBLUQIOISSKOKZ-UHFFFAOYSA-N 415.518 5.306 0 1 HKAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc(F)cc2)C1 82139581 CGEPOCMFVSFJKW-QZTJIDSGSA-N 424.564 5.678 0 1 HKAF Cc1cccc(-c2nc(NC3CCCCC3)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 82167439 RUPMGDXQQLGQSL-UHFFFAOYSA-N 424.548 6.827 0 1 HKAF CCCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccccc2F)n1 82174966 OMCUKRNEZUVKIT-UHFFFAOYSA-N 402.473 6.125 0 1 HKAF O=C(O)C1=C[C@@H](O)[C@@H]2C[C@H]3[C@H](CCC/C=C\C=C\c4ccccc4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 84688548 YUFZJFBMKNIVGN-GGLANDSBSA-N 402.534 5.112 0 1 HKAF C[C@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2ccc(Cl)cc2Cl)nn1 84759245 KQYDNNNIWBPIAV-CYBMUJFWSA-N 424.356 7.229 0 1 HKAF O=C1CSC(N2N=C(c3ccc(Cl)c(Cl)c3)C[C@H]2c2cccc(Cl)c2)=N1 95580564 XZMUAWZFCCLAKL-INIZCTEOSA-N 424.740 5.427 0 1 HKAF Cc1c2c(cc[n+]1Cc1ccccc1)c1ccc(OCC(C)C)cc1n2CC(C)C 95594108 HUAQDQKMQNJLNF-UHFFFAOYSA-N 401.574 6.130 0 1 HKAF Brc1ccc(C2=C(c3cc(-c4ccccc4)no3)[C@@H]3CC[C@@H](C2)S3)cc1 101389061 HWUDNPRGWFSDEO-UWJYYQICSA-N 424.363 6.683 0 1 HKAF O[C@@H](c1ccc(Oc2ncccc2C2=CCOCC2)cc1)c1nc2ccccc2s1 143499177 DTVHUEDBWSJMNB-QFIPXVFZSA-N 416.502 5.369 0 1 HKAF CCCCCCCCS(=O)(=O)Nc1cc(-c2ccccc2F)ccc1C(=O)O 143778579 NJGXJBSKWASRPE-UHFFFAOYSA-N 407.507 5.293 0 1 HKAF CCCCNC[C@@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1 169336015 BKCGZSBRHVTDCB-MRXNPFEDSA-N 406.370 5.209 0 1 HKAF COC(=O)c1ccc(OCC2(C34CC5CC(CC(C5)C3)C4)SCCS2)cc1 169340461 HUSJQMGSMRGDHV-UHFFFAOYSA-N 404.597 5.245 0 1 HKAF COc1cc(Cc2c(-c3ccccc3)[nH]c3cccc(Cl)c23)cc(OC)c1OC 473102017 LFXDDFMMBYPZJF-UHFFFAOYSA-N 407.897 6.105 0 1 HKAF CCCOc1cc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1Br 586897156 ZAHKPXAXISQQFD-UHFFFAOYSA-N 423.310 6.154 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cnn(-c4ccc(F)cc4)c3)nc3ccc(O)c1c23 586988903 SHWTZCAYJKPWAS-UHFFFAOYSA-N 407.404 5.144 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5cc(F)c(F)cc5[nH]4)c23)cc1 587040266 YBOVWBAFKWKLHE-UHFFFAOYSA-N 424.501 6.114 0 1 HKAF Cc1ccc(-c2cc(-c3nc4c(F)cnc(Cl)c4[nH]3)c3cccc(Cl)c3n2)o1 587083396 RHBQMGKJFOZCSD-UHFFFAOYSA-N 413.239 6.187 0 1 HKAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(Br)cc(Cl)c2[nH]1 587115808 BCYYOWNYXVTHNH-UHFFFAOYSA-N 414.012 5.052 0 1 HKAF Fc1c(F)c(F)c(/C=C\c2nc3cc(Br)cc(Cl)c3[nH]2)c(F)c1F 587132817 VLUHIEYPMRDWIW-UPHRSURJSA-N 423.566 5.845 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1 587196475 WSXGWPGFLGHDLN-UHFFFAOYSA-N 406.408 5.323 0 1 HKAF COc1cccc(-c2cc(-c3ccnc(C(F)(F)F)c3)nc3c2oc2ccccc23)c1 587359689 IKBJSQKEJXKNKK-UHFFFAOYSA-N 420.390 6.737 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H]3Cc2ccccc2)c1 587367417 PRQCFKQMAUXKEC-FQEVSTJZSA-N 405.497 6.929 0 1 HKAF Cc1ccc(-c2nc3sccn3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587412324 AJUWVFPBKCGEIJ-LJQANCHMSA-N 403.507 5.277 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3ccn(Cc4ccccc4)c3c1)CC2=O 587477921 VXEHFZZACWDPME-SANMLTNESA-N 411.501 6.054 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC(=O)c3ccc(C)cc3)c1)CC2=O 587478953 LEUZMMYHTXZUTO-XMMPIXPASA-N 416.473 5.579 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccc4sccc4c3)o1)CC2=O 587494491 KGTWTMGUDGRJTK-VWLOTQADSA-N 418.514 6.700 0 1 HKAF C[C@@H]1N(C(c2ccccc2)c2ccccc2)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517673 RVFZELLPBYKTDH-WRONEBCDSA-N 423.556 5.763 0 1 HKAF O=C(O)c1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1O2 587530609 GBWPISXMMQTMKO-AREMUKBSSA-N 412.441 5.278 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)C1CCCC1 587543395 BSAYAGUDSZKWRR-WIOPSUGQSA-N 420.892 6.093 0 1 HKAF CCCC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545081 GOSDHTGYMRQWNF-ZJSXRUAMSA-N 408.881 6.093 0 1 HKAF CC(C)Oc1ccc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545113 GUTZVLQGXFXWCR-NFBKMPQASA-N 410.853 5.536 0 1 HKAF C[C@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545203 GXFIKIQVHBIEGD-GHTZIAJQSA-N 400.352 5.288 0 1 HKAF Cc1cc2c(cc1Cl)[C@@]1(C=CO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551505 GDUUBTWWIDURSW-NFBKMPQASA-N 406.821 5.117 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cc1OCC1CC1 587570060 ULYCWOULGHQLND-QPPBQGQZSA-N 406.409 5.023 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccccc1 587594260 NREPOUFMEMBTHD-RPLLCQBOSA-N 424.452 5.674 0 1 HKAF CC(=O)c1c(C)cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587600953 DEMWIQOMGBQLCZ-DHLKQENFSA-N 402.446 5.223 0 1 HKAF CC[C@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603209 NSXSPPRBWZZRKN-LBNVMWSVSA-N 422.480 6.326 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccccn2)o1 587611129 FLRHFBSEKISFJN-NZQKXSOJSA-N 417.442 5.234 0 1 HKAF CCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622985 VVSTZMQXWBZGNV-UHFFFAOYSA-N 424.220 5.935 0 1 HKAF COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccc(Cl)cc1Cl 587628929 VFVZEUWBVLADDV-UHFFFAOYSA-N 400.620 5.285 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C)c(-c3nc(=NC(=O)c4ccc(F)cc4)s[nH]3)c2c1 587642678 PHNAADZANZRPRS-LBPRGKRZSA-N 408.502 5.322 0 1 HKAF CCCCOc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587659875 HJEINHMWBASOTJ-UHFFFAOYSA-N 416.452 5.070 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2ccc(Br)cc2)N1 587683626 VDYDPJXYNKRPJW-QGHHPUGFSA-N 413.128 5.169 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)c(Cl)c2)N1 587697849 UPNPHBIRDBDHLB-XLFHBGCDSA-N 403.122 5.693 0 1 HKAF Cc1cc(F)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587715503 HXRKTPHCDPWXHG-MGNBDDOMSA-N 400.694 5.487 0 1 HKAF Cc1ccc(OC(F)F)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587722467 YXKAMQIKYUCCLX-NSPYISDASA-N 414.265 5.296 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccn(-c3ccccc3F)c2)N1 587728459 SIVIAVRSYXCVKC-FKIZINRSSA-N 403.270 5.142 0 1 HKAF CCCCn1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 587754906 FJZJJWVMVBFYRF-RNODOKPDSA-N 416.338 5.362 0 1 HKAF COc1ccccc1[C@@]1(C2CCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587804103 AUGGTAPJUBWDDM-JLCFBVMHSA-N 418.350 5.565 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C2(O)CCCCC2)N1 587821341 HUIUHNVFXMSLSV-QRQCRPRQSA-N 418.350 5.061 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(OC(C)C)c1 587858356 GHCZSQDICZVCTM-UHFFFAOYSA-N 419.308 5.731 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1cccc(C)c1C 587863633 OCQZZXHPHUSNNU-UHFFFAOYSA-N 405.445 5.439 0 1 HKAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 587938306 UQOLRVWVLFRBNG-JDNHERCYSA-N 418.337 5.446 0 1 HKAF COc1ccc2c(c1OC)[C@@](c1ccnc(Cl)c1)(C1CCCC1)N(C)[C@@H](C)C2 962624156 DPGVVKLZOJEGBZ-WNSKOXEYSA-N 400.950 5.062 0 1 HKAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@@]2(c1cccc(C(F)(F)F)c1)C1CC1 962698745 JLTDJISIJZQCMN-PGRDOPGGSA-N 421.503 5.862 0 1 HKAF Cc1cccc(C)c1[C@]1(CCc2ccccc2)NCCc2ccc(C(=O)N(C)C)cc21 962922687 GJZPZDIBWVQHTA-MUUNZHRXSA-N 412.577 5.027 0 1 HKAF Cc1nn(Cc2ccc(-c3cc4ccc(Cl)cc4[nH]3)cc2F)c(C)c1CC(=O)O 1772629244 RSZGWSXZMQJLKS-UHFFFAOYSA-N 411.864 5.116 0 1 HKAF CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2C[C@@H](O)Cn1cncn1 1857766273 KKLVXIGWFASFSU-IBGZPJMESA-N 404.558 5.042 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C 2356347847 OSPYNJYSTBNWEX-YOIKVRNSSA-N 402.707 7.859 0 1 HKAF CC(C)C[C@@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@]2(C)C=C[C@H](C(C)C)C[C@@]12C 2356360989 SHCCLCKVNNGCHS-BQPZZRAHSA-N 400.515 5.242 0 1 HKAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@]3(C)CC[C@](C)(CC(=O)O)C[C@@]3(C)CC[C@]21C 2356418101 XITMKRWCQMSXKM-BPWOVLODSA-N 402.619 6.496 0 1 HKAF CC(C)C1=C(C[C@@H](C)[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@@H]1C 2356423037 LTSPMIHIWVJPLS-QIQNTQFOSA-N 412.702 7.635 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C([C@H](O)C[C@@]21C)[C@]1(C)CC[C@@H](O)CC1=CC3 2356460368 RJWIGXOAUROSSK-NQURTQLLSA-N 412.658 6.446 0 1 HKAF CC=C(C)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CC[C@@H](C)CC(=O)O)C(C)=CC[C@@H]12 2356479678 ZIOOTRWFFVRLEB-ULBJZWRRSA-N 404.591 6.166 0 1 HKAF CO[C@@H]1OC(=O)C=C1CCC=C(C)CCC=C(C)CCC1=C(C)CCCC1(C)C 2356678684 PFOVLLSEYCTGAF-RUZDIDTESA-N 400.603 7.202 0 1 HKAF CN1C[C@@](C)(c2cn(C)cc2-c2c[nH]c3ccc(Cl)cc23)c2cc(Cl)ccc21 2356712443 CMOISPAWONHXEH-HSZRJFAPSA-N 410.348 6.236 0 1 HKAF CC=C(C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C)C(C)C 2356732337 NVIFTYDKFNGPHT-DXFDJZHOSA-N 410.686 7.721 0 1 HKAF CC(C)CC=C[C@@H](C(=O)O)C1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2O)C1 2356868411 XBGUSQBSWPZOOX-YDVQGYQRSA-N 414.630 6.229 0 1 HKAF COc1ccccc1NC(=S)OCCN1CCCC12CCC(c1ccccc1)CC2 205710272 HBOZRTAGKHZCFO-UHFFFAOYSA-N 424.610 5.601 0 3 HKAF COc1ccc(-c2noc(-c3ccc(Cl)cc3F)c2C(=O)NCCC(C)C)cc1 774500 BCFQQIFGUKBMKY-UHFFFAOYSA-N 416.880 5.586 0 1 HKAF COc1ccc(C)cc1-c1cc(Sc2ccccc2)c(-c2cc(C)ccc2OC)o1 1626788 OABJHTYWAHIBPJ-UHFFFAOYSA-N 416.542 7.399 0 1 HKAF CCCCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12 13553422 HKQYSALIPIQOEW-UHFFFAOYSA-N 419.400 6.657 0 1 HKAF CC(C)(C)c1ccc([C@@H](c2cccc(O)c2)C2CCN(Cc3ccccc3)CC2)cc1 13803308 ZDRADNOKATWGBW-MUUNZHRXSA-N 413.605 6.734 0 1 HKAF C[C@@H]1CCC([C@H](C)[C@H]2CC[C@@H]3[C@@H]4CC(=O)[C@@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)=NC1 13815013 QAGPPGDCPAPQLW-QBZPGHJHSA-N 413.646 5.692 0 1 HKAF CC1(C)C=Cc2cc(-c3coc4cc5c(c(O)c4c3=O)C=CC(C)(C)O5)ccc2O1 14825188 IDCBSMFPUHMLOY-UHFFFAOYSA-N 402.446 5.534 0 1 HKAF biogenic,in-vitro Clc1ccc(O[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 14975481 ZSEJKLXYMYILHA-QGZVFWFLSA-N 402.108 6.317 0 1 HKAF CC1=C(c2ccccc2)[C@@H](c2ccc(OCCN3CCCC3)cc2)Oc2ccccc21 26960531 FRZILSRBKPFPEC-MUUNZHRXSA-N 411.545 6.226 0 1 HKAF c1ccc(-c2nc(SCCCCCCn3cccn3)[nH]c2-c2ccccc2)cc1 27216676 VZIWGCUPRMIEAU-UHFFFAOYSA-N 402.567 6.293 0 1 HKAF Cc1sc(-c2ccccc2F)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)O 28951981 QBCKJCNEZNGRHS-INIZCTEOSA-N 411.498 5.384 0 1 HKAF CC(C)(C)c1cc(C(C)(C)C)c2oc(=O)c(NC(=O)/C=C/c3ccccc3)cc2c1 29040377 BONQSYYYCDJFGP-OUKQBFOZSA-N 403.522 6.040 0 1 HKAF C[C@H](/C=C/c1ccncc1)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 45350527 MCZHHBKTPUPXLV-YYWPXAEQSA-N 405.626 6.671 0 1 HKAF CCCN(C(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1)c1cccc2[nH]ccc12 53230037 CMYAEOUIUARFBD-LJQANCHMSA-N 410.517 5.946 0 1 HKAF Clc1cccc(N2CCN(Cc3coc(-c4cccc5ccccc45)n3)CC2)c1 72184951 LREVLAHNIWNUCW-UHFFFAOYSA-N 403.913 5.470 0 1 HKAF CC(C)(C)CC(C)(C)n1nnnc1CNCCC=C(c1ccccc1)c1ccccc1 73169049 HBXMLMZHOSOPET-UHFFFAOYSA-N 417.601 5.456 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccc(C)o2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188411 FTBXBPPORTZQCZ-SJORKVTESA-N 403.530 5.656 0 1 HKAF CCCCCNC(=O)[C@H](CC(C)C)Nc1nc(-c2ccc(CCC)cc2)cs1 82195296 LPGVJPGIBWCLNS-FQEVSTJZSA-N 401.620 5.896 0 1 HKAF COc1cc(NCCC[C@@H](C)N)c2ncccc2c1Oc1cccc(C(F)(F)F)c1 84739041 ATYRTAKPGTWHNN-CQSZACIVSA-N 419.447 5.594 0 1 HKAF CC(C)n1ncc2cc([C@@H](c3ccccc3)C(C)(C)C(=O)Nc3nncs3)ccc21 96283931 WTJASENCWHVHKR-HXUWFJFHSA-N 419.554 5.266 0 1 HKAF C/C(=C\C=C\C[C@H](C)C(Cl)(Cl)Cl)C(=O)N[C@@H](c1nccs1)C(C)C 103626207 SASMNYHOQIJNIJ-TXPZNMAQSA-N 409.810 5.855 0 1 HKAF C[C@H](Nc1nccc(N2C(=O)OC[C@H]2c2ccccc2)n1)c1cccc2ccccc12 142056386 AARQPKLETUGABW-JTSKRJEESA-N 410.477 5.501 0 1 HKAF CCO[P@@](=O)(CC)Cc1cccc(Nc2cc(-c3ccccc3OC)ncn2)c1 169346761 GYMVAYZPQOPYJH-LJAQVGFWSA-N 411.442 5.730 0 1 HKAF COc1ccc(Oc2ccc(NC(=O)C[C@@H](CC(=O)O)c3ccccc3)cc2)cc1 217054581 DWTHRMNDSBMPGY-SFHVURJKSA-N 405.450 5.075 0 1 HKAF C/C(=C\c1ccc(Oc2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1)C(=O)O 221202736 BPMCEHCMSBNYSA-WYMLVPIESA-N 418.470 6.260 0 1 HKAF CCOC(=O)CC(=O)OCC1=CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@@]12C 238736534 BBVMQJIDBJNEFS-YNGFEMSNSA-N 416.558 5.488 0 1 HKAF CC(C)(C)c1ccc(NC(=O)c2ccccc2NC(=O)c2cccc(C(=O)O)c2)cc1 299824639 WJYDWIXMPJBKKQ-UHFFFAOYSA-N 416.477 5.187 0 1 HKAF c1ccc(Nc2cc(-c3ccccc3)nc(SCc3nc4ccccc4[nH]3)n2)cc1 299826465 GOHRCXYTMZXQNX-UHFFFAOYSA-N 409.518 6.056 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1cc(OC(F)(F)F)ccc1C4)-c1ccccc1C2=O 586995105 IGWMKNOPIONIGC-UHFFFAOYSA-N 417.386 6.224 0 1 HKAF CC(C)n1c(-c2nc3cc(F)c(F)cc3[nH]2)cc(Br)c1Br 587005076 LYFZCEDUFFSEEV-UHFFFAOYSA-N 419.067 5.416 0 1 HKAF Cc1c(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587030102 XVRDKFWGONAIDR-UHFFFAOYSA-N 422.457 5.325 0 1 HKAF COC(=O)c1cccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c12 587049865 MNWDKWJJVPRKEX-UHFFFAOYSA-N 412.876 6.490 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(Br)cc(C)c2[nH]1 587073632 ILASBDZAUYKISI-UHFFFAOYSA-N 411.730 6.930 0 1 HKAF FC(F)(F)c1ccc(-c2nc3ccnc(Br)c3[nH]2)c(C(F)(F)F)c1 587094600 DIADIROUMUBCQT-UHFFFAOYSA-N 410.115 5.425 0 1 HKAF C/C=C/COc1ccc(Cc2c(C)nc3c(C)ccc4c3c2-c2ccccc2C4=O)cc1 587099306 YLLYLMBGDBBHNP-SNAWJCMRSA-N 419.524 6.609 0 1 HKAF CC(C)(C)OC(=O)N1CCC[C@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C1 587105097 ODKSFDAIIHGRKT-INIZCTEOSA-N 414.505 5.561 0 1 HKAF FC(F)(F)c1nn(CCc2nc3c(Cl)c(Cl)cnc3[nH]2)c(C2CC2)c1Cl 587116523 GAHDJYNCBVPDTH-UHFFFAOYSA-N 424.641 5.254 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c(Cl)c2)cc1F 587147317 LSXHBNYHVNDDML-UHFFFAOYSA-N 407.832 5.329 0 1 HKAF CC(C)COc1cc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2cc1Br 587176007 FDGPXFNGHOPFMW-UHFFFAOYSA-N 403.255 5.043 0 1 HKAF c1ccc(COc2cccc(-c3cccc(-c4cc5c6c(cccc6n4)CC5)c3)c2)cc1 587215025 YWWOAAJLGKJDKR-UHFFFAOYSA-N 413.520 7.246 0 1 HKAF O=C(c1sc2ccccc2c1Cl)c1c(CO)oc2cc(Br)cnc12 587276789 WDSKSMUHYWWHCE-UHFFFAOYSA-N 422.687 5.182 0 1 HKAF CC[C@]1(c2ccc(N(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338617 QRFKOWGKQXWUSS-UKILVPOCSA-N 405.469 5.262 0 1 HKAF Cc1c[nH]c2c1[C@@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351199 ZDZLTHYLWZCVRQ-WIOPSUGQSA-N 405.469 5.395 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cc(C(=O)O)ccc3Cl)cc1)O2 587377613 XEWPFEZKZJREKD-OAQYLSRUSA-N 407.853 5.302 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccccc3C)nc1-c1ccccc1)O2 587392261 SAAKEBMWEKYGEB-XMMPIXPASA-N 409.489 5.445 0 1 HKAF CCC[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442672 NAIKFJCMNZIJDU-GJZUVCINSA-N 400.474 5.931 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1sc4ccccc4c1Br)[C@@H](C2)C3=O 587454617 ZCLUPXRWFBSWQW-SGTLLEGYSA-N 401.281 5.161 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCc3cccc(F)c3)c1)CC2=O 587468438 VCTQSUSAHSRLCU-DEOSSOPVSA-N 406.453 5.769 0 1 HKAF CCOC(=O)[C@]1(c2ccc(C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587526605 YQIPNCGOUGFSGA-AREMUKBSSA-N 406.522 5.287 0 1 HKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C1CCCCC1 587579297 UIVXMIIFRCPCPV-JYFHCDHNSA-N 417.505 6.019 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1ccsc1 587616945 HPICPJCIHCWBAI-ZJSXRUAMSA-N 400.455 5.824 0 1 HKAF Cc1cc(Cl)cc2c(CC3CCCC3)c(-c3ccc(OC(F)(F)F)cc3)[nH]c12 587624928 WKBCAPIZVNIWKX-UHFFFAOYSA-N 407.863 7.428 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3ccnc3)c(Cl)c2)N1 587694353 LJNUJWRJNCUVJI-JEOXALJRSA-N 420.713 5.051 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)c(O)c2Cl)N1 587698014 XWAZMJZZPDHAAY-MLXNANBUSA-N 405.094 5.224 0 1 HKAF Cc1cccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587709874 OKUOTYSUYIUQFI-DIFFPNOSSA-N 402.229 5.237 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2F)N1 587729046 UPIBZRQRXUHXAW-RCDICMHDSA-N 414.293 5.553 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cccs2)N1 587732242 ITCSOTJEQLONQU-FKIZINRSSA-N 420.322 5.615 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccccn3)cc2)N1 587771480 LWLFWXHKVJHJDW-ASSNKEHSSA-N 413.290 5.399 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c2)cc1O 587787904 ZINJIUQNQDPMRV-UHFFFAOYSA-N 422.484 6.190 0 1 HKAF CCOc1ccc2[nH]cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587800154 APJIJGDIJGOOTA-BIBXISHDSA-N 403.295 5.092 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(-c4ccccc4)cc32)N1 587817334 KFRKXKRQFYJVMJ-OYLFLEFRSA-N 422.341 5.979 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(-c4ccccc4)cc32)N1 587817628 MRTRQQFHNZCIIE-MYYSRTQBSA-N 422.341 5.979 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CC=C(CCCC(C)(C)O)CC2)N1 587824514 BYPZPPWOJSESEY-IVZHQMGZSA-N 424.398 5.831 0 1 HKAF CC/C=C\C[C@H]1[C@H](CC(=O)O)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587831960 YDRQYHQAZYDAIO-FFLRKUEXSA-N 424.354 5.175 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(O)c2)N1 587834680 STAMRTIIGNTYFO-FPTDNZKUSA-N 412.302 5.120 0 1 HKAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587963682 QKDDZPOWEGYPFM-DZGCQCFKSA-N 413.315 5.062 0 1 HKAF CCOc1ccc([C@@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)c(F)c1F 962715059 SKSAPOWESGKPOT-JLCFBVMHSA-N 407.501 5.130 0 1 HKAF CC(C)c1ccc([C@@]2(c3ccc(F)c(F)c3)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963117639 XMLDDJDMVJBEDF-WNCULLNHSA-N 421.506 6.540 0 1 HKAF CCCOc1ccc([C@@]2(c3ccc(C)nc3)c3ccccc3C[C@@H](C)N2CCC)cc1 963226219 GXTBCINLYINJHU-SKCUWOTOSA-N 414.593 6.127 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2C1(Cc1ccccc1F)Cc1ccccc1F 963241745 NXBJOBJHMMARDL-FQEVSTJZSA-N 405.532 6.302 0 1 HKAF COc1ccc(-c2coc3cc(OCCCCN4CCCCC4)ccc3c2=O)cc1 1857541305 MXTJXSPHYQMIRK-UHFFFAOYSA-N 407.510 5.114 0 1 HKAF O=C(O)c1cc(F)cc(NCc2ccc(OCc3ccc(F)cc3)c(Cl)c2)c1 1857548935 ZDIHNXCAUNDCCX-UHFFFAOYSA-N 403.812 5.508 0 1 HKAF O=C(NCc1ccccc1)[C@H](Sc1nc2cc(Cl)ccc2s1)c1ccccc1 1857579813 QWUSHZUGRQAXLU-HXUWFJFHSA-N 424.978 6.100 0 1 HKAF CC=C(C)C(=O)OC[C@@H]1[C@H](OC(=O)C(C)=CC)CC[C@H]2Cc3occ(C)c3C[C@@]21C 2356451431 GESXOZGUMUECSU-ONFVETCGSA-N 414.542 5.107 0 1 HKAF CC(=O)OCC(=CCCC(C)=CCO)CCC=C(CCC=C(C)C)COC(C)=O 2356458958 VTEWXNBQEACWKG-UHFFFAOYSA-N 406.563 5.211 0 1 HKAF CC(=O)O[C@@H]1CC[C@]2(C)C(=CC=C3[C@@H]2CC[C@]2(C)[C@@H]3CC[C@@H]2[C@H](C)C=CCC(C)C)C1 2356658569 WYYWMDKEJYOPEU-WWJJRALSSA-N 424.669 7.656 0 1 HKAF O=C(O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCCCCCc4ccc(O)cc4)[C@@H]4C=C[C@@H]1[C@H]2[C@H]43 2356673747 OMHJQGZJZUFMMT-BNUPTOIRSA-N 406.566 5.846 0 1 HKAF COc1cc(O)c2c(c1[C@@H]1C=C(C)CC[C@H]1C(C)C)O[C@@H](c1ccccc1)CC2=O 2356680975 AHSGBCHOIWPPDO-NNMXDRDESA-N 406.522 6.203 0 1 HKAF CC(C=C[C@]1(C)CC[C@@H](C)C(=O)[C@@H]1C)=CCc1c(O)c(Cl)c(C)c(C=O)c1O 2356705941 JZPUVJNTXDTYIV-KKAKJJSRSA-N 404.934 5.559 0 1 HKAF Cc1nc2ccc3nc(NC(=O)c4cccc(Br)c4)sc3c2s1 2454839 BIRCNUPZBJMYCO-UHFFFAOYSA-N 404.314 5.229 0 1 HKAF CC(C)c1ccccc1Sc1c(O)cc(-c2cc(Cl)cc(Cl)c2)oc1=O 5963437 WYINEUBBIWELLW-UHFFFAOYSA-N 407.318 6.594 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[C@@H](P(=O)(O)O)[P@](C)(=O)O 13742045 IQXGZGUZEQQEHJ-FPAKHYNRSA-N 406.440 5.980 0 1 HKAF CC(C)=CCc1cc2c(cc1O)OC[C@@H](c1ccc(O)c(CC=C(C)C)c1O)C2=O 14780887 JBALWYDBIPVNKZ-FQEVSTJZSA-N 408.494 5.180 0 1 HKAF biogenic O=c1cc(C(F)(F)F)c2cc(N(Cc3ccccc3)CC(F)(F)F)ccc2[nH]1 14968460 DRVXSNXOOFHJDO-UHFFFAOYSA-N 400.322 5.116 0 1 HKAF COc1cc2c(c3c1C[C@H](c1ccc(O)c4c1OC(C)(C)C=C4)CO3)C=CC(C)(C)O2 15262069 TXLYFPIMCNBCFX-HNNXBMFYSA-N 420.505 5.488 0 1 HKAF biogenic CN1CCCc2cc(C(=O)CCC3CCN(Cc4cccc(Cl)c4)CC3)ccc21 26376526 JXYBORNWQKKIFX-UHFFFAOYSA-N 410.989 5.598 0 1 HKAF CCOc1c(-c2noc3ccc(/C(C)=C/C(=O)O)cc23)cc(C(C)C)cc1C(C)C 26660063 RKEPFESSUYKZDD-MHWRWJLKSA-N 407.510 6.628 0 1 HKAF CC[C@@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4ccc(C)cc4)oc3C)ccc21 28563558 PVTZPAMEGKOLDH-GGAORHGYSA-N 419.521 5.721 0 1 HKAF OCCCCCCCCCCCCc1c(O)cc(/C=C/c2ccc(O)cc2)cc1O 28823588 DHIVMFHQQGDDLS-OUKQBFOZSA-N 412.570 6.410 0 1 HKAF Cc1cccc(-c2nc(CCOc3ccc4c(c3)CC[C@H]4CC(=O)O)c(C)s2)c1 28951988 OVVFWCNXWDWQSD-SFHVURJKSA-N 407.535 5.553 0 1 HKAF CCc1ccc2c(c1)nc(Cn1c(=O)n(C(C)C)c3ccccc31)n2CCC(C)C 28952183 FPCJAWRISHUQLX-UHFFFAOYSA-N 404.558 5.390 0 1 HKAF CC1(C)[C@H]2CC[C@@]3(C2)C(C)(C)CC(=C(c2ccc(O)cc2)c2ccc(O)cc2)C[C@]13C 29346696 NTBDWEIRBDPXLV-UNUDWIFVSA-N 416.605 7.552 0 1 HKAF COc1ccc(C(=O)Nc2cc(Cl)c3c(c2)[C@H]2CCCN2CC3)cc1C(F)(F)F 34048708 ANKOSTNETDBKDL-GOSISDBHSA-N 424.850 5.313 0 1 HKAF CN(Cc1ccc(Cl)cc1)Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1O 40565022 NDLSKLGIQQNJGM-UHFFFAOYSA-N 422.739 6.777 0 1 HKAF CNc1c2c(nc3ccc(NC(=O)CCCCCCc4ccccc4)cc13)CCCC2 45166853 LUQCCFMDEYFRLV-UHFFFAOYSA-N 415.581 6.287 0 1 HKAF C[C@H](/C=C/c1cc[n+](C)cc1)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 45340241 SBHBRINKBITFAZ-GTFICYHQSA-N 420.661 6.100 0 1 HKAF FC(F)(F)c1ccccc1CNCc1coc(-c2ccccc2Br)n1 72186408 AXQDCHVWWGKFBN-UHFFFAOYSA-N 411.221 5.413 0 1 HKAF CC(C)CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 82155745 MUPFBXXZGZFXEZ-ONEGZZNKSA-N 414.553 5.684 0 1 HKAF C[C@H]1C[C@H](C)CN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)C1 82165856 MGRQJGMEBFLXJW-IRXDYDNUSA-N 416.550 6.009 0 1 HKAF CCc1cnc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccccc2C)s1 82177331 LXGLFWSZJQZOHV-UHFFFAOYSA-N 420.969 6.403 0 1 HKAF O=C(c1ccc2c(c1)c1ccccc1n2CCCN1CCCCC1)N1CCCCC1 96938372 XARMGZDWWDFVEB-UHFFFAOYSA-N 403.570 5.297 0 1 HKAF CC(C)CCC[C@]1(c2ccccc2)CC(O)=C(SCCc2ccccc2)C(=O)O1 100363999 AJJWWFWLZXXDQA-RUZDIDTESA-N 410.579 6.401 0 1 HKAF CCCCCCc1c(C(=O)C[C@H](C)CC(=O)O)c2cc(Br)ccc2n1C 103270882 HMPBGVWIJQPMFV-AWEZNQCLSA-N 422.363 5.747 0 1 HKAF Cc1c(N(CCC2CC2)S(=O)(=O)c2ccc(N(C)C)cc2)sc2ccccc12 115232023 PDBVDEHURKUEOP-UHFFFAOYSA-N 414.596 5.271 0 1 HKAF FC(F)(F)c1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2 142266324 OWIPPBIUAKHZMK-UHFFFAOYSA-N 422.454 5.930 0 1 HKAF CCCCN(CCCC)C[C@@H](O)c1cnc2c(C(F)(F)F)cccc2c1Cl 169338260 POTJSQBRGBHYCO-QGZVFWFLSA-N 402.888 5.843 0 1 HKAF C[C@@H](C(=O)O)C1CCC2(CC1)CCN(c1cc(OC(F)(F)F)ccc1Cl)CC2 209053380 PNMXEYQRELYHRR-CYBMUJFWSA-N 419.871 5.736 0 1 HKAF Nc1cnc(-c2ccc(C3CCC3)c(OCc3c(Cl)cccc3Cl)c2F)cn1 212111877 IGDBCJWHXAWVGN-UHFFFAOYSA-N 418.299 6.018 0 1 HKAF Cc1nc(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)ccc2Cl)c(C)[nH]1 219067789 XUGVPEYOUQTYSI-UHFFFAOYSA-N 418.928 5.238 0 1 HKAF COC(=O)[C@H]1[C@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(C)s2)cc1)C3 253710508 WNGKSXJKUCQJJD-WWEFTXCBSA-N 407.579 5.400 0 1 HKAF Cc1ccc2c(c1Br)N[C@@H]1[C@H](Cc3cccc4ccccc34)NCC[C@H]21 299809746 UCLCHOONYIGMMV-URVUXULASA-N 407.355 5.393 0 1 HKAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3cncc4c3CCCC4)CC[C@@H]12 299826576 MUPWIJXMOROKFF-JZZOQXRUSA-N 417.593 6.315 0 1 HKAF O=C(Nc1ccccc1F)Nc1cc2ncncc2cc1OCc1ccc(Cl)cc1 299832201 LIEQUEHPOPVNFX-UHFFFAOYSA-N 422.847 5.645 0 1 HKAF CC(C)CCOc1cc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586883441 JRXJNFFWXZGIIF-WMUXEFRJSA-N 417.391 6.218 0 1 HKAF COC(=O)c1ccc(Oc2ccc3[nH]c(-c4oc5c(c4C)[C@H](O)CCC5)nc3c2)cc1 586905386 NKIKOJXTBRTSKX-LJQANCHMSA-N 418.449 5.080 0 1 HKAF Cc1ccc2c3c(cc(CC(=O)Nc4ccccc4C(C)C)nc13)-c1ccccc1C2=O 586998051 XMHCPISVCPZCLP-UHFFFAOYSA-N 420.512 6.059 0 1 HKAF COC(=O)c1cc2nc(-c3cnc(Cl)s3)[nH]c2c(F)c1Nc1ccccc1 587022866 BKNFCEFIKBIXHE-UHFFFAOYSA-N 402.838 5.009 0 1 HKAF Clc1ccc(Cl)c(-c2ccc(-c3nc4c(Br)cccc4[nH]3)o2)c1 587049635 CPXXRCOXYWBAEF-UHFFFAOYSA-N 408.082 6.559 0 1 HKAF Sc1nc(S)c2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2n1 587051168 PAFOGAXPDGMSCL-UHFFFAOYSA-N 420.950 6.071 0 1 HKAF Cc1cc(Br)cc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587074753 XHSJTQUMLIUVRM-QGZVFWFLSA-N 404.739 5.624 0 1 HKAF Nc1ccc(-c2ccc3nc([C@H]4CCCN4Cc4ccc(Cl)cc4)[nH]c3c2)cc1N 587075258 HCMJLCDGTYWEAK-HSZRJFAPSA-N 417.944 5.385 0 1 HKAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(Oc4ccc(C(=O)OC)cc4)ccc3[nH]2)n1 587080160 SAVGMFFKKMZHLP-CYBMUJFWSA-N 424.888 5.630 0 1 HKAF Cc1nc(-c2ccccc2)[nH]c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098508 YKJJTMTYHBHNOZ-UHFFFAOYSA-N 401.469 6.120 0 1 HKAF Cc1nccc2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc12 587111626 NGVVUZASFCXUJN-UHFFFAOYSA-N 421.344 6.638 0 1 HKAF Cc1cc(Br)c(-c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1F 587137859 OWAMUTKZSDLVHC-UHFFFAOYSA-N 412.100 5.819 0 1 HKAF Fc1ccc2[nH]cc(Cc3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2c1 587175055 PDTRRYSCFDRRCK-UHFFFAOYSA-N 412.184 5.555 0 1 HKAF O=C1c2ccc(O)cc2OC2(CC(OCc3ccccc3)C2)[C@H]1c1ccc(F)cc1 587354090 MTTDFZBYJIMUHI-KOXWRSSLSA-N 404.437 5.008 0 1 HKAF COc1cccc(-c2c(C)c(-c3ccc([C@@H](C)OC)cc3)nc3c2oc2ccccc23)c1 587363691 SWXVEVGCJOEBKV-GOSISDBHSA-N 423.512 7.339 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1c(F)cccc1C(F)(F)F)O2 587382379 PFXZEOHCBWKRBM-JOCHJYFZSA-N 415.386 5.644 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cc(NC(=O)OC(C)(C)C)ccc3o1)O2 587389520 KYMCPEHLEBEWFV-HXUWFJFHSA-N 408.454 5.377 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cn(C(=O)OC(C)(C)C)c4cc(C)ccc14)[C@@H](C2)C3=O 587432872 ZQMTYSHNKITOLB-GAJHUEQPSA-N 419.477 5.230 0 1 HKAF CCSc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1Cl 587450404 FVVAGEMXVZXWQU-XCLFUZPHSA-N 409.334 5.777 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3ccc(F)cc3F)o1)CC2=O 587466118 JXJFNWGLKMVIRM-QFIPXVFZSA-N 414.404 5.501 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1c(F)cccc1F)CC2=O 587467973 VSKXAEYLWOYDTN-RUZDIDTESA-N 408.444 5.840 0 1 HKAF CSC[C@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502697 ATDCNQJNHWHNDG-NRFANRHFSA-N 406.469 5.808 0 1 HKAF O=C1C[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587502841 BMCDGAASQSINME-SFHVURJKSA-N 414.345 6.310 0 1 HKAF COC(=O)CCCC[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587507164 URONCKHMNUXUGP-RUZDIDTESA-N 410.485 5.299 0 1 HKAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(F)(F)F)c1 587543941 CWJAHSVWXXZNMM-GHTZIAJQSA-N 416.351 5.123 0 1 HKAF C[C@@]1(Cc2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547996 VRVYSSAWFGAEIA-UGKGYDQZSA-N 415.272 5.662 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1OCC1CC1 587548551 PVKAKYCQOVCIFT-URXFXBBRSA-N 422.864 5.537 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(F)cc2)s1 587574408 ZORHSDBSGNHVLH-ZJSXRUAMSA-N 418.445 5.963 0 1 HKAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(C)(C)C 587594645 OZZLYTHHXJPMFJ-NVQXNPDNSA-N 418.489 5.575 0 1 HKAF CCOc1cccc2cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)oc12 587615001 FFIAOESXQBOXMS-OFVILXPXSA-N 416.429 5.414 0 1 HKAF CCOC(=O)CCCCCc1c(-c2cccc(Cl)c2)[nH]c2ccc(F)c(Cl)c12 587628795 QCDQSBOKMUNAOE-UHFFFAOYSA-N 422.327 6.947 0 1 HKAF O=C(c1ccc2ccccc2c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656810 PWTCFYMCLOTZFO-UHFFFAOYSA-N 412.395 5.183 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3c2ccc2ccccc23)N1 587808485 ZJVVCHSKVVBVGA-IPQOISQHSA-N 409.302 5.846 0 1 HKAF CCCC[C@]1([C@@H]2CCOC(C)(C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 587834488 RUPQLXBLZMVDOG-IUSZMWJPSA-N 412.387 5.713 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC/C2=C\c2cccs2)N1 587849981 CLWZIZRYQPIUQS-CIPGJYEFSA-N 406.364 6.037 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(CN3CCCCC3)cs2)N1 587850270 YETYMXHFFHAZQP-ZUOKHONESA-N 423.395 5.259 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(Br)c(F)c1 587861081 MKUFTFAOUSEOKK-UHFFFAOYSA-N 415.184 5.468 0 1 HKAF CCOC(=O)CCCCC[C@]1(C(C)(C)C)c2ccsc2CCN1Cc1ccco1 962711499 SYLFLQKVMBPZMO-XMMPIXPASA-N 417.615 6.154 0 1 HKAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@H]2c1cc(Cl)ccc1Cl 962961309 TZFXOTYWSLSKBV-GOSISDBHSA-N 416.270 5.753 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@]2(CC(=O)c1ccc(Cl)cc1)C(F)(F)F 963256123 ACPFMWNXJYIFHA-SFHVURJKSA-N 418.242 5.178 0 1 HKAF COc1ccc(CSc2nc3ccc(C)cc3c(=O)n2-c2ccc(C)cc2)cc1 1772585346 YDINGRRXZFFLST-UHFFFAOYSA-N 402.519 5.303 0 1 HKAF FC(F)(F)c1ccc(NC[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772636070 LGTPUXRQYOMUNT-HDJSIYSDSA-N 414.435 5.010 0 1 HKAF COC(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(c5cccnc5)=CC[C@H]4[C@@H]3CC[C@@H]2C1 1772646385 FYEDSYCZRSGBCV-YGZJGNGNSA-N 408.586 5.842 0 1 HKAF O=C(O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1cc2ccccc2[nH]1 1857566264 ZZJPWASVPUNJLC-LJQANCHMSA-N 400.265 5.270 0 1 HKAF C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@H]3CC[C@@H]3C(C)(C)[C@H](O)CC[C@]34C)[C@H]2[C@@H]1C 2356611662 FECFVGBVIVEEFA-YKRAHITKSA-N 412.702 7.635 0 1 HKAF CSc1ccc([C@@H](O)c2nc(-c3cccc(OCc4ccccc4)c3)c[nH]2)cc1 61905950 RSRDDHQJHHBHHD-HSZRJFAPSA-N 402.519 5.459 0 3 HKAF Cc1cc(Br)c2nc(-c3ccccc3)c(Cc3cccc(Cl)c3)n2c1 95567622 XKFLATRYRRWQRT-UHFFFAOYSA-N 411.730 6.316 0 3 HKAF CC(C)c1ccc([C@H]2O[C@@H](CCc3ccccc3)Cc3nc(S)nc(O)c32)cc1 169304266 MCFHAYGFDDXHBU-SIKLNZKXSA-N 406.551 5.258 0 3 HKAF CCCC[C@H]1[C@@H]2C[C@H]([C@H](OC(=O)Nc3ccccc3C(F)(F)F)C2)[C@H]2CCCCN12 203468582 JZDCCCWNUUBSMV-QFIDOLFYSA-N 424.507 6.076 0 3 HKAF CC(C)[C@@H]1CC[C@H]2[C@]3(C)CC=C4[C@H](CC[C@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@]12C 1531239 ZHDRLFGZQZCZKX-YSADLZRASA-N 410.730 9.054 0 1 HKAF Nc1nc(SCCc2ccccc2)nc2nc3c(c(-c4ccccc4)c12)CCCC3 1642446 ZUIVWQMKWJPJCN-UHFFFAOYSA-N 412.562 5.488 0 1 HKAF C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccc(C(F)(F)F)c1 13490202 JHNYGDAXQHDHNA-IERDGZPVSA-N 410.439 6.298 0 1 HKAF CC1(C)CCC(C)(C)c2cc([S@](=O)c3ccc4cc(C(=O)O)ccc4c3)ccc21 26720801 QVOLSQOQDVPIBG-LJAQVGFWSA-N 406.547 6.054 0 1 HKAF CC(C)(C)c1ccc([C@@H]2CC(=O)Oc3ccc4cc(Br)ccc4c32)cc1 29136070 CCLHVFIUHMVKDB-IBGZPJMESA-N 409.323 6.341 0 1 HKAF Clc1ccc(Nc2nc3ccccc3c3[nH]c(C4CCCCC4)nc23)c(Cl)c1 40898167 UJIALCFJAAVLNZ-UHFFFAOYSA-N 411.336 7.209 0 1 HKAF CC(C)(C)C1=CC(=C2C=C(C(C)(C)C)SC(C(C)(C)C)=C2)C=C(C(C)(C)C)S1 45301533 VUAQOEYQECWIHJ-UHFFFAOYSA-N 416.740 9.497 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 59724681 SOQKXJABGLKWQX-QNEHAWMZSA-N 408.626 8.442 0 1 HKAF in-vitro COc1cccc(-c2ccc3c(c2)[C@H]2C[C@@H]3CCN2C(=O)c2ccc(Cl)cc2)c1 61942484 VROXAYUEZGYDBZ-YADARESESA-N 403.909 6.090 0 1 HKAF Cc1ccccc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)NCCC(C)(C)C)cc2c1 72177882 AHRZKIYTKFDQGC-GOSISDBHSA-N 403.570 5.523 0 1 HKAF O=C(c1ccccc1)c1ccc(Oc2cc(NCc3cc(F)cc(F)c3)ncn2)cc1 82068297 RVRLKAFIFAZVQQ-UHFFFAOYSA-N 417.415 5.390 0 1 HKAF CC[C@@H](C)NC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccccc1F 82152343 OLOLEQDBAVXMJQ-CQSZACIVSA-N 412.896 5.077 0 1 HKAF COc1ccc2cc(-c3[nH]c(C(C)(C)C)nc3-c3ccnc(N(C)C)c3)ccc2c1 84654147 JFGVTOPRBOSFRU-UHFFFAOYSA-N 400.526 5.664 0 1 HKAF O=[S@](c1ccc(F)cc1)c1cc2ccccc2[n+](CCCCCc2ccccc2)c1 96939327 JBWYNGJTFYREHZ-PMERELPUSA-N 418.557 5.846 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1csc(-c2ccccc2)n1 103258850 FKCCJYOXOMCDTQ-SFHVURJKSA-N 408.523 5.081 0 1 HKAF COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N3)cc1 103647327 ZHLYVXWEQKXHNT-FQEVSTJZSA-N 417.484 6.075 0 1 HKAF CCc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1 104007859 DRFMDOVIIUGFST-XXBNENTESA-N 423.553 5.416 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3cccn3C)c2)cc(-c2ccc3occ(C)c3c2)n1 142125789 IJQDBEPARGRAFI-SFHVURJKSA-N 422.532 6.685 0 1 HKAF O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)c1 169333671 LTAXJANBEUKPEG-UHFFFAOYSA-N 410.429 5.043 0 1 HKAF C[C@H](CCC=C1CC1)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@@]45C[C@]35CC[C@]12C 169362090 JPBYBCDJWOLHTR-ARELOJNOSA-N 424.713 7.923 0 1 HKAF O=C1NCCc2[nH]c(-c3cccc4ccc(Oc5c(F)cccc5Cl)nc34)cc21 222330015 GPLPYBDISWCAQW-UHFFFAOYSA-N 407.832 5.101 0 1 HKAF CO[C@H]1CC[C@@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4N(C)CCCC(C)C)[C@@H]3CC[C@@H]2C1 299850476 SUURJOMPZAFTED-YCBQZETKSA-N 403.695 6.781 0 1 HKAF Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2nc(C)c(C)o2)c1 299875936 DUGTYSSATNEJPV-SPPOGVHBSA-N 416.569 6.206 0 1 HKAF Oc1ccc(-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)c(F)c3)no2)cc1 473154946 NGNRUOXWMJNJBV-UHFFFAOYSA-N 416.330 6.059 0 1 HKAF CCn1c(CCC(=O)Nc2cccc3ccccc23)nnc1CCC1CCCCC1 584905038 SZWIGRNIVUKPOZ-UHFFFAOYSA-N 404.558 5.535 0 1 HKAF in-vitro CCCCOc1cc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586885044 TYVHCALRNURMKO-HFZMZTSTSA-N 403.364 5.972 0 1 HKAF Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1Br 586985631 WXMNAGXUBFOKAA-UHFFFAOYSA-N 417.262 5.164 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cnn(Cc4ccccc4)c3)nc3ccc(O)c1c23 586986549 CNQHGMQMSYXIHW-UHFFFAOYSA-N 403.441 5.064 0 1 HKAF FC(F)(F)Sc1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 587005442 WGZBWVZHDGTHHT-UHFFFAOYSA-N 408.630 5.653 0 1 HKAF COc1cc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c2cn1 587038577 PQHJAJXNQHEDCO-UHFFFAOYSA-N 419.535 5.239 0 1 HKAF O=C1CCc2cc3nc(-c4cc(-c5cccc6ccccc56)ccc4Cl)[nH]c3cc2N1 587051703 UANCJJKJSMKLIM-UHFFFAOYSA-N 423.903 6.588 0 1 HKAF Clc1ccc2ccc(-c3nc4cc(OCc5ccccc5)ccc4[nH]3)nc2c1Cl 587083402 RWENEQHEUFZODQ-UHFFFAOYSA-N 420.299 6.664 0 1 HKAF COC(=O)c1ccc2nc(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)[nH]c2n1 587083519 YFCXOMYYQUFAJA-UHFFFAOYSA-N 418.840 5.182 0 1 HKAF Fc1c(F)c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c(F)c(F)c1S 587134425 LJHWJQLDNKMMJT-UHFFFAOYSA-N 404.388 5.654 0 1 HKAF C[C@]1(c2cc3cc(F)ccc3[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335001 NLFRJBBVQUKZHE-ISKFKSNPSA-N 405.400 5.426 0 1 HKAF C[C@]1(c2cccc(-n3cccc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337588 BMFGJCIRJYAGFA-AZGAKELHSA-N 413.448 5.596 0 1 HKAF Cc1cccc2c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c[nH]c12 587343863 DTFNBAOUJLIYDL-RCZVLFRGSA-N 401.437 5.595 0 1 HKAF COc1cccc(-c2cc(-c3c(C)[nH]c(C(=O)O)c3C)nc3c2oc2ccccc23)c1 587364221 YVUHNDWKBPBWJI-UHFFFAOYSA-N 412.445 5.967 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(C)cc(OCc4ccccc4)cc1C)[C@@H](C2)C3=O 587441098 CVRICERSDOKLJD-HFZDXXHNSA-N 400.474 5.380 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(Br)ccc2OC1(C)C 587458118 GNAYYGSAYFTWCK-NRFANRHFSA-N 417.299 5.139 0 1 HKAF O=C1C[C@H](c2c(F)cc(Br)cc2Cl)Oc2c1ccc1c2CCCC1 587501224 AQNLZSBLCIRSHG-QGZVFWFLSA-N 409.682 5.827 0 1 HKAF O=C1CCc2cc([C@]3(c4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2N1 587525437 NBYVXNLLZNJFEW-MUUNZHRXSA-N 423.512 5.359 0 1 HKAF Cc1onc(-c2ccc(F)cc2)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573711 XACRWWKYSLNNIT-GBXCKJPGSA-N 417.392 5.198 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@H]2Nc1ccccc1 587576071 FJSJJKLGZSYILV-OTNCWRBYSA-N 401.462 5.147 0 1 HKAF CC(C)N1CCCc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587592040 HEVJANOBAIRYLX-OZXSUGGESA-N 415.489 5.256 0 1 HKAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(-c3ccc(Br)cc3)c2c1 587650332 SBLSZJKSCBOZJX-UHFFFAOYSA-N 418.234 5.020 0 1 HKAF Cc1c(Cl)ccc2sc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nc12 587660300 AILCJTPWDKONKZ-UHFFFAOYSA-N 421.884 5.763 0 1 HKAF CC(C)CC[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587697515 GUMDOKXWRGRDFK-QKKBWIMNSA-N 424.785 6.456 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cc(O)cc2Cl)N1 587698594 YYZJWBRUCRWZLB-VGDKGRGNSA-N 405.094 5.224 0 1 HKAF Cc1cc(Cl)cc2c1OCCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587701480 UTUOOBGQMAAKOH-FKIZINRSSA-N 424.741 5.500 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)ccnc2Cl)N1 587704681 KOWXBGIKGFNWNY-VPTHRUTESA-N 404.110 5.088 0 1 HKAF Cc1cc(OC(F)F)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587713530 DNUZCFXKKYFZPG-BBATYDOGSA-N 414.265 5.430 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3cccc(F)c3)no2)N1 587727703 CCXZKIMRBUMEGO-APBUJDDRSA-N 405.242 5.006 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2Br)N1 587729595 WCLIOKBUIDMOHB-VPTHRUTESA-N 417.091 5.113 0 1 HKAF CC(C)CCOc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587795695 RHBSMVJEARAVGZ-SPLOXXLWSA-N 406.339 5.637 0 1 HKAF COc1cccc([C@@H]2CCCC[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)c1 587810667 UDWRMMPCXACPST-GHNFSYLKSA-N 418.350 5.684 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(-c3ccccc3)cc2)N1 587813901 QKVJQHTWTSSEEY-GYCJOSAFSA-N 424.357 6.247 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(Cc3ccccc3)CC2)N1 587817059 HSBJEVZPPNLITQ-JUTLFCHVSA-N 402.351 5.751 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2Cc2ccccc2)N1 587824770 YKVZHWHODRWPIJ-LDJQZATESA-N 402.351 5.751 0 1 HKAF Cc1ccc([C@@]2(c3ccco3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587830346 SPKSSUGAYKIDSR-SZNDQCEHSA-N 400.291 5.316 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CNc1ccc(C)cc1 587857869 BFOQJFWJMRYUGV-UHFFFAOYSA-N 404.297 5.316 0 1 HKAF O=S(=O)(c1ccc2nc(/C=C\c3cccc4ccccc34)[nH]c2c1)C(F)(F)F 587969434 SRWOGYHHGXXVBP-FLIBITNWSA-N 402.397 5.180 0 1 HKAF c1ccc(-c2ccc([C@@H]3c4ccccc4C[C@H]4CN(c5ccccc5)CCN43)cn2)cc1 962634065 MAHUTAVXPFEBQY-LITSAYRRSA-N 417.556 5.585 0 1 HKAF Cc1ccnc2c1CCN[C@H]2c1c(C)c(C(=O)c2ccc(Cl)cc2)n2ccccc12 963071655 KHBFMEVDNKFTSX-QHCPKHFHSA-N 415.924 5.071 0 1 HKAF Cc1ccc(CC[C@]2(c3ccccc3F)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963118212 ZAQYHNZDGOHZTG-WNCULLNHSA-N 403.516 6.170 0 1 HKAF FC(F)(F)c1cccc(Nc2cc(C(Cl)(Cl)Cl)nc3ccccc23)c1 1772639322 HCRXWBSLBTYIBR-UHFFFAOYSA-N 405.634 6.824 0 1 HKAF C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)[nH]nc3c2)c1 1772645491 IYGXZGSRAHSLRJ-KCAUSFFCSA-N 421.500 5.559 0 1 HKAF CC(=O)N[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356526975 RBBVXROQBNFDAF-IFQJKSTBSA-N 401.591 5.022 0 1 HKAF CCc1nc2c(OCc3ccc(Cl)cc3Cl)cccn2c1N(C)C(=O)C1CC1 61907884 PCOIXAZBKSBPHC-UHFFFAOYSA-N 418.324 5.155 0 3 HKAF COc1cc(OC)cc(OCc2ccc3nc(-c4ccccc4)c(Cl)nc3c2)c1 1653535 CWNXINJPWCQNMU-UHFFFAOYSA-N 406.869 5.546 0 1 HKAF COc1cc(OC)c2c(c1-c1c(C)cc(O)c3c(OC)cccc13)C[C@H](C)N[C@@H]2C 13359224 WPLXJOWQGIILET-LSDHHAIUSA-N 407.510 5.142 0 1 HKAF biogenic COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1ccccc1Cl)C(F)(F)F 28862318 KTOKJEZDHROXCU-LJQANCHMSA-N 404.831 5.692 0 1 HKAF Clc1cccc(-c2cc(-c3ccc(Cl)o3)cc(-c3ccc(Cl)s3)n2)c1 45337620 YMSPHFYKTLJINT-UHFFFAOYSA-N 406.721 7.697 0 1 HKAF COc1ccc2c(c1)[C@@H](C)N(c1nc(C3(c4ccc(F)cc4)CC3)nc(C)c1C)CC2 64548994 HYIFMZSRNXCUCL-GOSISDBHSA-N 417.528 5.445 0 1 HKAF FC(F)(F)Oc1ccccc1CNCc1coc(-c2ccc(C(F)(F)F)cc2)n1 72183764 KNPSMKJKIYGEQB-UHFFFAOYSA-N 416.321 5.549 0 1 HKAF Clc1ccc2nc(-c3ccc(N4CCOCC4)cc3)c(NC3CCCCC3)n2c1 73297174 OCPYTGAMKYQMKK-UHFFFAOYSA-N 410.949 5.236 0 1 HKAF Cc1nc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccco2)sc1C 82166356 GVQCAIMNNDHMKI-UHFFFAOYSA-N 410.930 5.785 0 1 HKAF CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccccc2OC)cs1 82193598 CRAAPPJQANRBRG-XLIONFOSSA-N 415.603 5.120 0 1 HKAF Cc1ccc(C2=C3SC=c4ccccc4=C3ON=C2c2ccc(Cl)cc2)cc1 98085299 CWNRGPZFRURLBT-UHFFFAOYSA-N 401.918 5.087 0 1 HKAF CCC/C=C\Cn1nnc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 103208835 GKYIJAGZJQSUKW-PLNGDYQASA-N 406.744 6.929 0 1 HKAF Oc1ccccc1-c1nc(SCCN(C2CCCCC2)C2CCCCC2)n[nH]1 103218654 UHCDDWYAOWSTOV-UHFFFAOYSA-N 400.592 5.237 0 1 HKAF CCN(CC)C(=O)N1c2ccccc2C=Cc2cccc(C(=O)N(C(C)C)C(C)C)c21 103231498 CKEPYNPAORGEHA-UHFFFAOYSA-N 419.569 6.029 0 1 HKAF Clc1cccc(N2[C@H](c3ccccc3)[C@]23C(c2ccccc2)=Nc2ccccc23)c1 103276067 IZQXUWNXUUJNQS-QERCTFSXSA-N 406.916 6.931 0 1 HKAF CCOc1ccccc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OCCSCC 103540631 PHJCOGXCYTUSGW-NRFANRHFSA-N 415.555 5.190 0 1 HKAF O=C(NCc1ccccc1C(F)(F)F)c1cccc2c1cnn2-c1ccc(F)cc1 115312419 KEZRBGXATRUGLG-UHFFFAOYSA-N 413.374 5.113 0 1 HKAF CCOc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1Cl 140187111 FBKDIEYISUEUCG-UHFFFAOYSA-N 416.912 5.348 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@](O)(CCCO)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 141085636 UPHXRVZRRMJRQX-UNUMZHBNSA-N 409.614 5.621 0 1 HKAF O=C(O)C[C@H]1CCc2cc(-c3ccc(NC(=O)Nc4ccccc4)cc3)ccc2C1=O 205512961 UELZYSRWAREAOL-LJQANCHMSA-N 414.461 5.217 0 1 HKAF O=C(c1ccccc1)N1CCOc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2C1 206199527 ZVLQQFIHOJBWBD-UHFFFAOYSA-N 413.395 5.287 0 1 HKAF COc1cc(-c2cnc(C)n2C)ccc1Nc1cc2cc(-c3cnco3)ccc2cn1 207738433 RJYMZQUCBKEMSJ-UHFFFAOYSA-N 411.465 5.351 0 1 HKAF COc1ccccc1[C@@H]1S[C@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccc(F)cc1 253851661 JWESMYAXISKMKG-XJUOHMSHSA-N 424.472 5.679 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257783875 ZMYBKDLUDWAJSA-FTXKQYIJSA-N 400.691 8.067 0 1 HKAF endogenous,in-man CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(OCCN(C)C)ccc4[nH]3)cc2)CC1 586881067 QDNFOVCZBGDEIJ-MEMLXQNLSA-N 419.613 6.634 0 1 HKAF Cc1cc(Br)ccc1OCc1nc2cc(F)cc(Br)c2[nH]1 586980662 CNKFADUDIOASQW-UHFFFAOYSA-N 414.072 5.114 0 1 HKAF Cc1ccc2c3c(cc(CC(=O)O[C@@H](C)c4ccccc4)nc13)-c1ccccc1C2=O 587097775 SRLKPUYLWNXQJY-KRWDZBQOSA-N 407.469 5.602 0 1 HKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587112215 DOHMWCLVGOGMOT-INIZCTEOSA-N 410.439 6.507 0 1 HKAF Fc1c(F)c(F)c(/C=C\c2nc3ccc(Br)c(F)c3[nH]2)c(F)c1F 587134601 NTMKXHWWHIEIJJ-RJRFIUFISA-N 407.111 5.330 0 1 HKAF Fc1cc(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)ccc1-c1ccccc1 587145170 GKMXJOYZBHUKLF-UHFFFAOYSA-N 404.794 6.632 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCc3c(F)ccc(Cl)c32)[C@H]1c1ccc(F)cc1 587335726 OPSAIAQILGQJBO-NZQKXSOJSA-N 412.819 5.524 0 1 HKAF CCC[C@]1([C@@H]2CCOC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350751 GZWAHAWGXYICQN-CFRFINDLSA-N 412.501 5.634 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2Cc2ccccc2)[C@H]1c1ccc(F)cc1 587353292 ONYHAIGFYZGXLD-RAHIQWLESA-N 416.492 6.062 0 1 HKAF COc1cccc(-c2cc(-c3cnc(Cl)nc3Cl)nc3c2oc2ccccc23)c1 587359654 IBZQEKKDYCYHQG-UHFFFAOYSA-N 422.271 6.420 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC[C@H]3c2nccn2C)c1 587364022 YVGVEZMKJDJEPF-LJQANCHMSA-N 409.489 5.858 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2Sc2cc3ccccc3cc21 587415895 YWWBZPBZRLDTES-AREMUKBSSA-N 409.510 6.104 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc(Br)c4)o1)[C@@H](C2)C3=O 587419127 SMYYXASGWATCDY-YCRPNKLZSA-N 411.251 5.206 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCc3c(Br)cccc31)CC2=O 587458842 LRXMWSJBZXIOAQ-OAQYLSRUSA-N 401.300 5.304 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)([C@@H](C(=O)OCC)C(C)C)CC2=O 587481515 NACPACADFOBPHM-ZEQKJWHPSA-N 424.537 5.127 0 1 HKAF CCCCCS(=O)(=O)c1cccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c1 587489654 VJEBYGCWIQYVGF-QFIPXVFZSA-N 416.539 5.015 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(C=C(c3ccccc3)Oc3ccc(C)cc31)CC2=O 587490956 MNUMLCDFXHYKLJ-MHZLTWQESA-N 412.485 5.947 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1SCc1ccccc1)CC2=O 587493650 UGZLUJBIIUNWQI-QHCPKHFHSA-N 404.531 6.344 0 1 HKAF C[C@H]1CN(c2ccc(F)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H](C)O1 587502921 IVRMOOXHOIIDML-JRLRZGBRSA-N 409.501 5.025 0 1 HKAF Nc1ccc([C@]2(c3cc4ccccc4o3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511699 ROEAZOQYMILJIU-MHZLTWQESA-N 409.485 5.803 0 1 HKAF C[C@]1(c2cccc(-c3ccccc3C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587528537 BGVFWJUEQCTWBD-HHHXNRCGSA-N 412.485 5.811 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(C(F)(F)F)ccc1Cl 587545891 IKHPZXFBOFDREN-PXNSSMCTSA-N 420.770 5.767 0 1 HKAF Cn1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc2cc(Cl)ccc21 587551913 LDEMMENCJIDHMO-OFNKIYASSA-N 405.837 5.240 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(-c3ccccc3)cc12 587605406 ZMNXXUGJDNYBQK-LEAFIULHSA-N 420.464 5.863 0 1 HKAF O=C(c1ccc(Cl)c(Cl)c1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587639222 YBTLYWSPKBLNML-UHFFFAOYSA-N 402.155 5.423 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)N1 587694853 AQGPJYQKJFGIIJ-XSDINYSHSA-N 415.133 6.097 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccs3)cc2F)N1 587726077 UEZOIYQTEFKLOY-YBTHPKLGSA-N 420.322 6.079 0 1 HKAF Cc1ccccc1-c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587817146 AHVBVCGIXFGZEH-WNSKOXEYSA-N 410.330 6.187 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 587831087 VWEDMHBRFRBFOF-QKVFXAPYSA-N 400.291 5.780 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccc(-c2ccco2)n1 587859754 HYBKIMWAPUUKCS-UHFFFAOYSA-N 401.253 5.295 0 1 HKAF Cc1ccc(-c2csc([C@@H]3CCCN(C(=O)OCc4ccccc4)C3)n2)cc1C 587920133 FZKHCNBASPRQAC-OAQYLSRUSA-N 406.551 5.943 0 1 HKAF CCOC(=O)CC[C@@H](C(=O)CC)[C@]1(CC)NCCc2cccc(-c3ccccc3)c21 962674303 WEJQSGXSSUXSBE-NVQXNPDNSA-N 407.554 5.043 0 1 HKAF Cc1ccc(Sc2ccc([C@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)o2)cc1 962761207 HAZDKHMPMOWBLU-PXNSSMCTSA-N 417.452 5.474 0 1 HKAF FC(F)(F)c1cccc2c1[C@]1(Cc3cccc(Cl)c3C1)NCC21CCOCC1 962952273 GMIYTDPMHMVGEA-OAQYLSRUSA-N 407.863 5.004 0 1 HKAF CN1c2ccccc2Sc2cc(COCc3cn(Cc4ccccc4)nn3)ccc21 1857548838 JCTBXDQNZSJRME-UHFFFAOYSA-N 414.534 5.276 0 1 HKAF Cc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2occc2c1 1857578502 DPRLTOZUKCUZBD-UHFFFAOYSA-N 417.468 6.078 0 1 HKAF CC(C)=C[C@@H]1C[C@]2(C)[C@H](CC[C@]3(C)[C@@H]4C(=O)N5c6ccccc6[C@]5(O)C[C@@H]4CC[C@@H]23)O1 2356339587 QJYILEDZEZVBBD-HOWLAPRXSA-N 421.581 5.155 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCCC1=C(C)CC[C@@]2(C)CCC(C)(C)C[C@@H]12 2356555238 NHVDFWJNPPZOPG-JDXGNMNLSA-N 410.730 10.129 0 1 HKAF COc1c2c(c(CC=C(C)C)c3c1C(=O)C[C@H](c1ccccc1)O3)OC(C)(C)C=C2 2356675105 HVBOPNPRQUKWTB-OAQYLSRUSA-N 404.506 6.095 0 1 HKAF CC=C(C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 2356732336 NVIFTYDKFNGPHT-ADFYZVDGSA-N 410.686 7.721 0 1 HKAF CC(C)=CCCC(=CCCC(C)=CCCC1=C(c2ccc(C)o2)C=C[C@@]1(C)O)C(=O)O 2356843751 NPAWFSFXBCIQRF-HHHXNRCGSA-N 424.581 6.927 0 1 HKAF CCc1nc2c(OCC3CCCCC3)cccn2c1N(C)C(=O)c1ccccc1F 61903261 BECPQGCXPWMANX-UHFFFAOYSA-N 409.505 5.272 0 3 HKAF CC[C@H](C)Sc1ccc(-c2nc3ccc(C)cn3c2NCc2ccccc2)cc1 61959756 KHELVDMONQBQRT-IBGZPJMESA-N 401.579 6.812 0 3 HKAF CC(C)(C)c1noc(-c2c(F)cccc2Cl)c1C(=O)NCCOc1ccccc1 2485155 ZLYOGVXIKLZNOG-UHFFFAOYSA-N 416.880 5.240 0 1 HKAF CC(NC(=O)Nc1c(Cl)cc(Cl)cc1Cl)(C(F)(F)F)C(F)(F)F 3188920 AYJRPXHZMSDANJ-UHFFFAOYSA-N 403.537 5.652 0 1 HKAF biogenic CCOc1c(/C(C)=C\C=C\C(C)=C\C(=O)O)cc(C(C)(C)CC)cc1C(C)(C)CC 13522271 XPNYPEOXBQXYDQ-BLWADDNASA-N 412.614 7.451 0 1 HKAF C/C(=C/C=C/C(C)=C/C=C\C=C(/C)CCCO)[C@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 14827105 SMTGOURXPBLNQN-XRTACTOISA-N 412.614 5.975 0 1 HKAF endogenous,in-man CC(C)CC(=O)OCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)O)O2 15165041 ZEDXXHHRKVXEAL-YUSVDLJSSA-N 420.590 5.521 0 1 HKAF Clc1ccc(-[n+]2nc(-c3ccc(-c4ccccc4)cc3)nn2-c2ccccc2)cc1 29130645 DIHWHCXXLVVMOH-UHFFFAOYSA-N 409.900 5.531 0 1 HKAF O[C@@H]1CC2(N3CCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 40576381 RYCYJPVBNCYXDT-PAZWHPHWSA-N 416.392 5.870 0 1 HKAF CC(C)Nc1nc2oc3c(NCc4cccnc4)ncnc3c2c2c1CCC(C)(C)C2 43152221 CECBGQCBSIBXFA-UHFFFAOYSA-N 416.529 5.113 0 1 HKAF Cc1cc(F)ccc1N(c1nc(-c2cc(Cl)ccc2Cl)cs1)[C@H]1CCNC1 45202740 BXURNVOFUXPLQN-HNNXBMFYSA-N 422.356 6.064 0 1 HKAF S=c1oc2c(Cl)cc(Cl)cc2c(=S)n1Cc1ccc(Cl)c(Cl)c1 53296604 OHHFEQWOVPTMFH-UHFFFAOYSA-N 423.173 7.355 0 1 HKAF CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(-c3cccc(Cl)c3)ccc21 62224808 DVLRTIHPXYOHAH-RUZDIDTESA-N 409.932 6.262 0 1 HKAF CCCCCn1c(CCc2ccccc2)nc2c(NCc3ccccc3C)ncnc21 82180376 IAHQEKNHVSLPMK-UHFFFAOYSA-N 413.569 5.722 0 1 HKAF COc1cc(N[C@H](C)CCCNC(=O)Oc2ccc(Cl)cc2)c2ncccc2c1 84564632 DQHWWBABYKEVJT-OAHLLOKOSA-N 413.905 5.266 0 1 HKAF Cc1c(C)c2ccc(OCc3nnc(Nc4ccc(Cl)cc4)s3)cc2oc1=O 95576350 OGWLBGOQYRRHHE-UHFFFAOYSA-N 413.886 5.237 0 1 HKAF Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@H]1CC(c1cnco1)C2 101273444 JOBGGLJPDFQHDJ-IRXDYDNUSA-N 413.348 6.481 0 1 HKAF CC1=C(C(=O)OC2CCCCCC2)[C@H](c2cccc(O)c2)C2=C(O)CC(C)(C)CC2=N1 104033590 ZYNFIZMCNLDEHD-QHCPKHFHSA-N 423.553 6.103 0 1 HKAF CCOC(=O)/C=C/c1ccc(C(=C2C3CCCC2CCC3)c2ccc(O)cc2)cc1 138252958 RHVDRAUCYCKSOX-GBSFHIEWSA-N 402.534 6.371 0 1 HKAF in-vitro O[C@H](c1ccc(Oc2ncccc2C2=CCOCC2)cc1)c1nc2ccccc2s1 143498981 DTVHUEDBWSJMNB-JOCHJYFZSA-N 416.502 5.369 0 1 HKAF Cc1ccc(N2CCC(CNc3nc(-c4ccccc4C(C)C)ncc3F)CC2)cn1 169341734 JVKHCOYXHOJRAY-UHFFFAOYSA-N 419.548 5.438 0 1 HKAF C[C@H]1C[C@@H](CNc2ccccc2)CC[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1Cl 169709965 MAFXSFPELKMUMP-AUSJPIAWSA-N 424.894 6.006 0 1 HKAF CC(C)(C)C1=NN(c2ccc(C(=O)O)cc2)[C@@H](c2ccccc2Br)C1 203670303 OEISQMKGRTXAIX-QGZVFWFLSA-N 401.304 5.501 0 1 HKAF CC1=CC[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]2(C)[C@@]12Cc1c(c(C)c(C)oc1=O)O2 238745453 BYXZSSYEJYOJRF-PCWYVQTFSA-N 424.581 5.708 0 1 HKAF CC(C)C/C=C/[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 255225713 LENYQUOTRXGYQY-PQTOXREDSA-N 424.713 8.543 0 1 HKAF Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2F)oc1C 299875377 CVLUIZGUZHAYNA-BNZQBYKSSA-N 420.532 6.037 0 1 HKAF O=c1ccc2cc(-c3nc4c(C(F)(F)F)cc(Br)cc4[nH]3)ccc2o1 586916695 UPZRWKHLGCJQRM-UHFFFAOYSA-N 409.161 5.118 0 1 HKAF Cc1c(Cl)ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 586998532 LZUINYUMFMUEFS-XFFZJAGNSA-N 413.702 6.718 0 1 HKAF Cc1nc(COc2cccc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c2)cs1 587020851 ZAAYRPSPPCDLHD-UHFFFAOYSA-N 413.502 6.366 0 1 HKAF CCCOc1cc2nc([C@@H]3SCCc4sccc43)[nH]c2cc1Br 587037502 WAZPFEADGSEMDL-MRXNPFEDSA-N 409.374 5.554 0 1 HKAF Oc1c(Br)ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc12 587084087 UYWDWDTYXBEPBE-UHFFFAOYSA-N 400.663 5.413 0 1 HKAF O=C1c2ccccc2-c2cc(Cc3ccc(F)cc3Br)nc3cccc1c23 587103257 JXGVMTJCFZMJEC-UHFFFAOYSA-N 418.265 5.939 0 1 HKAF COc1ccc2cc(CCc3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)ccc2c1 587105884 BLPICZGRLMLJQJ-UHFFFAOYSA-N 415.492 6.393 0 1 HKAF CC(C)(C)c1ccc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2n1 587138945 XAOILSZKSKYRDJ-UHFFFAOYSA-N 407.420 5.566 0 1 HKAF COc1cc(-c2nc3ccc(OC(C)C)cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143350 CZLXDKLYSOBTQI-UHFFFAOYSA-N 420.440 5.530 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCOc3cc(F)ccc32)[C@H]1c1ccc(F)cc1 587340297 XSRQMWHZFUIGSF-LADGPHEKSA-N 408.400 5.097 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](CC2CCC2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 587356779 RRRSMQVYVUJLBB-RSXGOPAZSA-N 402.465 5.976 0 1 HKAF CCCCCc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587357879 WHHSWCVFAFEWAY-VPUSJEBWSA-N 418.508 6.538 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(C)cc(C)c2OCC3)c1 587366272 NKJBKDBKQWHYIV-UHFFFAOYSA-N 421.496 6.875 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(C(C)(C)C)[C@@H](C2)C3=O 587418346 PFBIRQHCIMEXEQ-HRAATJIYSA-N 401.300 5.147 0 1 HKAF O=C1C[C@@](c2ccc(Cl)cc2)(c2cccc(Cl)c2)Oc2c1ccc1c2CCCC1 587502767 UASGWSRCIYWLLQ-RUZDIDTESA-N 423.339 6.781 0 1 HKAF O=C1C[C@@](c2cccc(OC(F)(F)F)c2)(C2CC2)Oc2c1ccc1c2CCCC1 587503588 HUFSIZDKSJEHDR-QFIPXVFZSA-N 402.412 5.735 0 1 HKAF O=C1C[C@H](c2nc3c(s2)C[C@H](c2ccccc2)CC3)Oc2c1ccc1c2CCCC1 587535211 JGGMXVURFHOVGC-WZONZLPQSA-N 415.558 6.001 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCOc1cc(Cl)ccc12 587553291 VGCCBSBFTMFRLS-OFNKIYASSA-N 408.837 5.075 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2cccc(F)c2)s1 587568121 DASBZHRFOGUGPF-DENIHFKCSA-N 419.433 5.358 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H]2CCc1ccccc1 587602224 GTYKAKZAIHJMDY-BLFHIAQRSA-N 400.474 5.526 0 1 HKAF C[C@]1(CSc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607372 MESKXKFDBKFRNJ-DENIHFKCSA-N 412.894 5.558 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)c3ccccc3)c(-c3ccc(Br)cc3)[nH]c12 587624192 ZLLMKLJGLPAAJA-UHFFFAOYSA-N 424.725 6.790 0 1 HKAF Fc1ccc(SCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)c(Cl)c23)cc1 587630596 MHWJRRBKBCSSRE-UHFFFAOYSA-N 403.856 7.198 0 1 HKAF Cc1cccc(NC(=S)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1C 587660410 DDCRUEPFIMTDAU-UHFFFAOYSA-N 403.482 5.065 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(Cl)c(Cl)c2)N1 587693296 NDKPXHZCIKFLGH-GYKQLYQFSA-N 423.540 6.172 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Cl)(C2CCCC2)N1 587693896 FXDMNEKZAZOMHQ-YEJXKQKISA-N 422.769 6.210 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(Cl)ccc1CC2(C)C 587698992 PBGRUIVYPYJNDI-BIBXISHDSA-N 408.742 5.602 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(F)cc(F)c2)(C(F)(F)F)N1 587709424 MJPARBAMSYRRCT-VPTHRUTESA-N 424.182 5.207 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F 587720788 URPZURHZVVBNBB-DYZYQPBXSA-N 400.238 5.122 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(F)cc2F)N1 587723523 AULDSXBDQZYEPS-GIPWTMENSA-N 421.260 5.281 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn(-c3ccccc3F)c2)N1 587728469 SIVIAVRSYXCVKC-YUNKPMOVSA-N 403.270 5.142 0 1 HKAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)(C)C 587807022 LGIXMHAUDTXTBQ-YUNKPMOVSA-N 406.339 5.518 0 1 HKAF C/C=C/[C@]1(C2=C(C)CCCC2(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815210 KSHMBCKOWSSKTK-LZTHTDNRSA-N 406.383 6.420 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CCc4ccccc43)CC2)N1 587817370 KVXSFQIFPATNQM-XGSULNKDSA-N 414.362 5.776 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C=O)cc2)(C2CCCC2)N1 587820395 PEYAFYFWVUVUMV-FPTDNZKUSA-N 416.334 5.369 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1ccc(C)c(C)c1 587860416 VLQJRGZBBKHVRY-UHFFFAOYSA-N 420.365 6.118 0 1 HKAF FC(F)(F)c1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Cl 587954981 DOIRBJCTYSAWMM-INIZCTEOSA-N 400.831 6.610 0 1 HKAF Fc1cc2c(cc1F)[C@]1(CCS2)NC2(CC2)Cc2ccc(Br)cc21 961322756 KXHMYEZCJPJEJT-LJQANCHMSA-N 408.311 5.145 0 1 HKAF CCOc1ccc([C@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)c(F)c1F 962715048 SKSAPOWESGKPOT-FPTDNZKUSA-N 407.501 5.130 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H]1c2c(F)cccc2C[C@H]2CCCN12 963090083 HTDSLNUQYCTHTP-KJXAQDMKSA-N 410.533 5.023 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1sc(-c2ccc(Cl)cc2)nc1C 963256535 DHJCVURURBKVKX-FYSMJZIKSA-N 411.014 6.692 0 1 HKAF C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 1857622333 WQLVFSAGQJTQCK-ZGUYNICNSA-N 414.630 5.714 0 1 HKAF CC1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)O[C@H]3Nc3ccc(F)cc3)[C@H](C)CC[C@@]12C 1857640491 BLWCDPHEUNTQGA-BFBQSLTNSA-N 411.561 6.626 0 1 HKAF Nc1oc2c(-c3ccc4ccccc4c3)nccc2c1Nc1ccc(F)c(Cl)c1 1857651374 QQXISXAUNLSPGW-UHFFFAOYSA-N 403.844 6.766 0 1 HKAF C[C@@H](Oc1ccc2ncc(-c3cnn(C)c3)nc2c1)c1c(Cl)ccc(F)c1Cl 1911579675 HIMPOQPIRXRKMS-LLVKDONJSA-N 417.271 5.616 0 1 HKAF O=C(C=Cc1ccc(O)cc1)O[C@H](CCCCCCO)CCCCCCCCCO 2356428805 YCRUHXDBZDORLV-DEOSSOPVSA-N 420.590 5.373 0 1 HKAF CC(C)=CCc1c(O)ccc([C@@H]2COc3cc(O)c(CC=C(C)C)c(O)c3C2=O)c1C 2356496904 RRFGKCDCTGILDM-FQEVSTJZSA-N 422.521 5.488 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC=C5[C@H](CC[C@H](O)C5(C)C)[C@@H]4CC[C@@]3(C)[C@@H]2C1 2356538800 RBANQYSPMJFZBG-ALYORZJLSA-N 412.702 7.779 0 1 HKAF COc1ccc([C@@H]2C3=C(C)NN(c4ccccc4)C3=NC(=O)N2c2ccccc2)cc1 103919397 QDJBEKULYQYDHE-HSZRJFAPSA-N 410.477 5.074 0 3 HKAF CC(=O)n1cc(OP(=O)(Oc2ccccc2)Oc2ccccc2)c2ccccc21 1662800 MLMRLILTJBUIFO-UHFFFAOYSA-N 407.362 5.946 0 1 HKAF COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCc1ccc(C(C)(C)C)cc1 2483525 FPILNUNFIBRZGH-UHFFFAOYSA-N 420.553 5.875 0 1 HKAF C[C@@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1)c1ccc(F)cc1 4075984 HLLLJGNVRALAQE-DYHNYNMBSA-N 412.848 5.041 0 1 HKAF CCC(CC)C(=O)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 5964840 GHAOJMMFGLHZBJ-RRPNLBNLSA-N 418.625 5.544 0 1 HKAF CCO[C@@H](Cc1ccc(OCC=C2c3ccccc3-c3ccccc32)cc1)C(=O)O 12358184 FKYNRYCTBTZMRP-VWLOTQADSA-N 400.474 5.210 0 1 HKAF O=C(c1ccc2c(c1)OCCO2)c1oc2cc(O)ccc2c1-c1cccc2ccccc12 13818644 GCCYLGSANMFBDL-UHFFFAOYSA-N 422.436 5.961 0 1 HKAF O=C(/C=C/c1ccccc1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 26729264 NVUMYYAHYZBMEC-CFWGEQFBSA-N 416.952 5.287 0 1 HKAF C[C@@H](CCCCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 27711328 FFEXYSPMUAOYQN-AQSKMNELSA-N 404.635 6.287 0 1 HKAF O=c1c2cc(F)c(-c3ccc4ncccc4c3)cc2n(C2CC2)c2snc(O)c12 28569740 QWZPNYZFBDOWMD-UHFFFAOYSA-N 403.438 5.006 0 1 HKAF O=C(O)COc1ccc(OCc2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1 36757831 DWUCUTJBFNCJRL-UHFFFAOYSA-N 410.469 6.063 0 1 HKAF CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2c(Cl)cccc12 40874136 QSYZJKXXXWISFC-UHFFFAOYSA-N 410.945 6.100 0 1 HKAF Cc1ccccc1Nc1nc2c(Nc3ccc(C(F)(F)F)cc3)ncnc2s1 40875389 CHESFZLGTUGORE-UHFFFAOYSA-N 401.417 5.901 0 1 HKAF CO[C@H]1OC(=O)C=C1CC/C=C(\C)CC/C=C(\C)CCC1=C(C)CCCC1(C)C 40939916 PFOVLLSEYCTGAF-OAJVCOQSSA-N 400.603 7.202 0 1 HKAF CC(C)=CCc1c(O)cc(O)c2c(=O)cc(-c3cccc(Br)c3)oc12 45497080 DMJBDVNCTFUZAV-UHFFFAOYSA-N 401.256 5.142 0 1 HKAF CC(C)=CCc1c(O)cc2c(c1C)OC(=O)c1c(C)c(Cl)c(O)c(C=O)c1O2 49033955 NKSQSZYYPUIJDD-UHFFFAOYSA-N 402.830 5.014 0 1 HKAF biogenic,in-vitro CN1[C@H](CCc2ccnc3ccccc23)CCC[C@@H]1CCc1ccnc2ccccc12 49037679 QQIWJQRMRXZSJG-PSWAGMNNSA-N 409.577 6.201 0 1 HKAF NCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 66097257 QWGJSLGCLDLRCT-UHFFFAOYSA-N 409.574 5.276 0 1 HKAF Clc1ccc(CNc2nc(NCc3ccc(Cl)cc3)c3cccnc3n2)cc1 72182488 AOZBRDLQYAVSHA-UHFFFAOYSA-N 410.308 5.556 0 1 HKAF O=C(CCN1CCC(c2ccccc2)CC1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F 73224990 HCBGHLFVHFXNAF-NRFANRHFSA-N 424.894 5.329 0 1 HKAF COc1ccc2nccc([C@@H](O)[C@H]3C[C@H]4CCN3C[C@@H]4/C=C/c3ccc(C)cc3)c2c1 84597002 KWLVSJANBCCMQF-JRUVMKBESA-N 414.549 5.009 0 1 HKAF C/C=C(\C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@H]2CCC=C(C)[C@]12C 85841668 YZGKWHGGADYHRU-KRGNECOLSA-N 400.559 5.537 0 1 HKAF CCCCCC[C@@H](O)C/C=C/CCCCCC/C(C(=O)OC)=C(/O)C(=O)OCC 102973233 UHLSVUAQNIGZDA-XELSYHJGSA-N 412.567 5.153 0 1 HKAF CC[C@@H](Nc1cc(CN2CC[C@@H](C(=O)O)C2)ccc1F)c1ccc(Cl)c(C)c1 118386949 ZLCVWXMTJUXWJQ-YLJYHZDGSA-N 404.913 5.257 0 1 HKAF O=C(c1ccc(Oc2ncccc2[C@@H]2CCCOCC2)cc1)c1nc2ccccc2[nH]1 139113127 WLPIWSXIHUAMEG-QGZVFWFLSA-N 413.477 5.265 0 1 HKAF c1ccc(C2=NN=C(c3ccccn3)[C@@H]3[C@@H]4C[C@@H]([C@H]5[C@H]4[C@@H]4C[C@H]5c5ccccc54)[C@@H]23)nc1 169294239 QAEQEAQDVFBXJR-GKUNFDAGSA-N 416.528 5.083 0 1 HKAF COC(=O)C[C@@H]1C(Cc2cc(OC)c(C(C)C)c(OC)c2OC)=CCCC1(C)C 198362947 LFKUVAWVYNIODT-GOSISDBHSA-N 404.547 5.304 0 1 HKAF CN(C)c1ccc(NC(=O)c2ccc(-c3ccccc3)c(CN3CCCCC3)c2)cn1 201505299 UUVCOHHCQSOINR-UHFFFAOYSA-N 414.553 5.053 0 1 HKAF CC(C)(C)C1=NN(c2ccc(C(=O)O)cc2)[C@H](c2cccc(Br)c2)C1 203671468 YBJLPZAQNUJPKY-KRWDZBQOSA-N 401.304 5.501 0 1 HKAF COc1cc(OC)c2c(c1)[C@H](CCCCCC[C@@H]1CC[C@]3(CC[C@@H](C)O3)O1)OC2=O 257481216 MDVWGBKYBVEXHU-GGDAVEFXSA-N 418.530 5.330 0 1 HKAF C[C@H](CCCCCO)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 299831732 QXIKZFKQVVHVCI-WLZWUTLSSA-N 406.651 5.166 0 1 HKAF CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1CCC(CC[C@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCCNCCN 299846494 AGUOAJQIHZPFDT-BKWLFHPQSA-N 417.726 5.198 0 1 HKAF CC(C)(C)OC(=O)NCCCCCCn1c(=N)n(Cc2ccccc2)c2ccccc21 377810356 GIAPFJIJDJJVLO-UHFFFAOYSA-N 422.573 5.056 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(F)c(Br)c3)nc3ccc(O)c1c23 586987174 UHGAPBRVLWBNAM-UHFFFAOYSA-N 420.237 5.720 0 1 HKAF Clc1ccnc2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc12 587000012 JIXXDZBGTAAAMJ-UHFFFAOYSA-N 414.694 5.048 0 1 HKAF FC(F)(F)c1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cc1Cl 587006166 JDQQFHBZZQQPMX-UHFFFAOYSA-N 414.612 5.917 0 1 HKAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(Br)cc(Cl)c3[nH]2)s1 587014273 KQXXHRJOAUTLIC-QMMMGPOBSA-N 400.729 5.508 0 1 HKAF Cc1c(Cl)ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 587027478 RBCDAGPEQMDTFZ-SNRMKQJTSA-N 413.974 5.661 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c(CCc3ccccc3Cl)nc2c1 587058720 IOYMJVVYWKIJJJ-UHFFFAOYSA-N 403.629 5.783 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(S)nc(S)nc2[nH]1 587072763 WKMMGYFJGNXOCN-GZXATSTBSA-N 423.394 5.603 0 1 HKAF CO[C@H]1C[C@H](c2ccccc2)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587099931 YEQQNPPDOWFYHY-JPYJTQIMSA-N 405.497 6.172 0 1 HKAF C[C@H](c1nc2ccc(C(C)(C)C)nc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128775 QBDQFOUVOBMCHB-SSDOTTSWSA-N 403.811 5.590 0 1 HKAF CCOc1cc(/C=C\c2nc3cc(Br)cc(C)c3[nH]2)ccc1OC(F)F 587130590 MXHUGHNBQXFMGO-ALCCZGGFSA-N 423.257 5.804 0 1 HKAF CC(C)COc1cc2nc(/C=C\c3ccc(F)cc3F)[nH]c2cc1Br 587151472 ZYVIKMIKJQNEEI-XQRVVYSFSA-N 407.258 5.809 0 1 HKAF Cc1nc2ccc(C(=O)O)cc2c(Cl)c1Cc1c(C)nc2cccc3c2c1CC3 587209772 XCMNCVQVYMNQON-UHFFFAOYSA-N 402.881 5.441 0 1 HKAF Fc1cc(Br)c2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2c1 587232337 PVBSTXGFEFEXLH-UHFFFAOYSA-N 400.251 5.014 0 1 HKAF C[C@@]1(c2ncc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326751 CZESQZLUQHLRRE-GHTZIAJQSA-N 418.251 5.507 0 1 HKAF COc1c(F)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F 587328638 BQEVNTOHRZNKSO-OFNKIYASSA-N 414.379 5.092 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 587356699 RCIRNAIVTYTOAG-XCZPVHLTSA-N 424.471 6.028 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCN1CCC(C)CC1)(c1ccc(F)cc1)O2 587385343 SFDVTSRIAQDTCT-RUZDIDTESA-N 410.533 5.089 0 1 HKAF Cc1ccc(C(=O)[C@H](C)Oc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 587401066 PVBIOYXYUNYHMB-XDHUDOTRSA-N 415.489 5.242 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCCC(=O)O)(c1ccc(Cl)cc1)CC2=O 587460793 ICTBFTYJXTWBKR-QFIPXVFZSA-N 402.874 5.114 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3cc(C)cc(C)c3)o1)CC2=O 587487139 YQZAYCWWWIDRQF-XMMPIXPASA-N 406.478 5.840 0 1 HKAF O=C1C[C@@](c2cccnc2)(c2ccc(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 587508893 UTLMZTMNONPRAJ-XMMPIXPASA-N 424.327 6.176 0 1 HKAF COc1ccccc1-c1nc2ccccn2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516344 WCNMHICYJSKVIE-HSZRJFAPSA-N 424.500 5.595 0 1 HKAF CC(C)(C)c1[nH]c2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588743 LJZRAIUFJXBLDA-ZJSXRUAMSA-N 413.473 5.874 0 1 HKAF CC(C)CCOc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595575 KZAVHWVIAUJDET-WIOPSUGQSA-N 404.462 5.520 0 1 HKAF Cc1cccc(NC(=O)c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)n1 587625758 MZSCXZOHAOWLAF-UHFFFAOYSA-N 401.310 5.470 0 1 HKAF COc1c(C)cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587694208 PCYXQPRMTQFYTR-WYRIXSBYSA-N 412.730 5.356 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ccnc(Cl)c3c2)N1 587704669 KNCCYHXAHVEDBF-MGNBDDOMSA-N 405.698 5.413 0 1 HKAF COc1ccc(C(F)(F)F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587712300 OHQSEIGQEDMIJU-HUTHGQBESA-N 418.228 5.239 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(F)c2)N1 587725319 PJVGXDRSYGFUAS-ZKANADHPSA-N 417.091 5.113 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC=C(NNc3ccccc3)C2)N1 587750240 RZFJSFMSMKKNOK-QKKBWIMNSA-N 416.338 5.002 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC1CC1 587806494 JKYPAOJFQFMEAK-LRTDBIEQSA-N 404.323 5.309 0 1 HKAF CC(C)c1cc([C@]2(C(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587823220 SSOITQDVSACTHT-FPTDNZKUSA-N 420.366 5.851 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccccc1Oc1ccccc12 587840759 JWZFAMRRFLVBOQ-ZDUSSCGKSA-N 410.286 5.520 0 1 HKAF Cc1ccc(-c2ncc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 587852207 FBTRFIPJZRFSGI-HXPMCKFVSA-N 417.347 5.644 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccc(C)cc1C 587862239 JDRUDDGLZOUVNN-HNNXBMFYSA-N 418.415 5.302 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3ccc(F)cc3F)n2)cc1 587923102 OVGICPVXVJBGRL-UHFFFAOYSA-N 406.432 7.043 0 1 HKAF CCCCc1ccc(-n2c(O)cc(-c3ccccc3F)c2O)c(Br)c1 587938094 ZVRMCSAIEKLVLF-UHFFFAOYSA-N 404.279 5.800 0 1 HKAF CCCc1c(OC)ccc2c(-c3cnc(-c4ccc(C(=O)O)c(F)c4)s3)n[nH]c12 653787506 ZSEPCNOMXOGSSY-UHFFFAOYSA-N 411.458 5.152 0 1 HKAF Cc1cc2c(cc1F)[C@@](c1ccc(C)c(Br)c1)(C(F)(F)F)NCC2 962089744 HTKDUVSFRAIETD-KRWDZBQOSA-N 402.229 5.157 0 1 HKAF CCc1ccc(C[C@@]2(Cc3ccc(Cl)cc3)NCCc3cc(C)c(F)cc32)nc1 962299423 NNSFDWAYUHDTKO-RUZDIDTESA-N 408.948 5.571 0 1 HKAF Fc1ccc(COc2ccc([C@H]3NCCc4cc(-c5ccccc5)ccc43)cc2)cc1 962660285 GZOZWFUHAXFOOB-MUUNZHRXSA-N 409.504 6.307 0 1 HKAF FC(F)(F)c1cccc2c1[C@H](CCc1cccc(Cl)c1)NCC21CCOCC1 962951206 GHZSMZSMPFJNAJ-IBGZPJMESA-N 409.879 5.684 0 1 HKAF CC1(C)CC[C@]2(NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c2ccccc21 962962456 VMMWPHIRJYRMFS-DEOSSOPVSA-N 415.499 5.672 0 1 HKAF Fc1cccc([C@@]2(c3cncc4ccccc34)c3c(F)cccc3C[C@H]3CCCN32)c1 963096839 GNWRIUZDUVHSBH-AJTFRIOCSA-N 412.483 5.825 0 1 HKAF C[C@]1(c2cccc(-c3cccc(C(=O)O)c3)c2)NCCc2c(Cl)cc(Cl)cc21 963122841 ORDOPMGDIQCJMI-HSZRJFAPSA-N 412.316 5.768 0 1 HKAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](C2=C(Sc3ccccc3)CCCC2)N1 963228691 IHQMRCYYWNZDOP-ISKFKSNPSA-N 416.546 5.495 0 1 HKAF CN1CCc2c(Br)cccc2[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C 963289656 QBDMIRYOKHQTDB-QGZVFWFLSA-N 411.384 5.014 0 1 HKAF Cc1cc(=O)oc2cc(OCc3cc(-c4ccc(Cl)c(Cl)c4)no3)ccc12 1772610769 VPPCLECUHSDOLS-UHFFFAOYSA-N 402.233 5.642 0 1 HKAF Fc1ccc(Nc2ccnc3cc(-c4cnn(C5CCNCC5)c4)ccc23)cc1F 1772616765 KBTSIYQBTPNLCP-UHFFFAOYSA-N 405.452 5.045 0 1 HKAF O=C(Nc1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1)c1ccc(Cl)c(F)c1 1857608909 BIQPJGBFAUWNIA-UHFFFAOYSA-N 400.240 5.928 0 1 HKAF O=C(Nc1ccc(Cl)c(-c2nnc3c(Cl)cccn23)c1)c1cccnc1Cl 1911579954 OSBTVPPSIZBWRW-UHFFFAOYSA-N 418.671 5.004 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)[C@H](CO)[C@@H]1CC3 2356315806 UPEGTKGKNWDIAN-GBWLAVQLSA-N 416.690 6.751 0 1 HKAF CC1=C[C@H](CNC(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(Cc2c[nH]c3ccccc23)o1 2356507253 RIBLYRBLWMJIFN-MZKRTTBSSA-N 420.601 5.537 0 1 HKAF CC(C)[C@@H](C)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356530244 JVEARGBOXRHBPV-OXPYZRFZSA-N 414.674 6.382 0 1 HKAF CCCCC[C@H](O)C=CCCCCC[C@H](CCc1ccccc1)[C@H](C(=O)O)[C@H](C)O 2356768801 RNNFUQMZRJKOML-UHRQBARKSA-N 418.618 5.765 0 1 HKAF CC1=CC[C@]2(C)C(=O)O[C@H](O)[C@H](C(C)C)[C@H]2CC=C(C(=O)O)C2=C(CC1)[C@@H](C)CC2 2356855381 RCRCHROCRHFZHP-JPJNQSFXSA-N 416.558 5.014 0 1 HKAF CNc1nc2cnc(Nc3ccc(F)cc3)cc2n1-c1cccc(C(F)(F)F)c1 206019246 RVYVPVFPGYEPCE-UHFFFAOYSA-N 401.367 5.364 0 3 HKAF CC[C@@H](Cc1ccc(OC)c(NC(=O)Nc2ccc(C(F)(F)F)cc2)c1)C(=O)O 595105 CDROLHOHBQXVCB-ZDUSSCGKSA-N 410.392 5.011 0 1 HKAF Cc1cc(C)cc(CO[C@@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 3780977 PXZTVHCMFSPYCK-URLMMPGGSA-N 411.589 6.115 0 1 HKAF CCCC(CCC)C(=O)O[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O 5509729 NLFJAJPHXUYMGS-QFIPXVFZSA-N 412.917 5.215 0 1 HKAF CCCOc1ccc(C2=Nc3cc(OCC)ccc3NC(c3ccncc3)=N2)cc1 6743690 PBBCFDBAHQXLMF-UHFFFAOYSA-N 400.482 5.220 0 1 HKAF CC(C)=CCc1cc2c(c3c1OC(C)(C)C=C3)O[C@@H](c1ccc3c(c1)OCO3)CC2=O 13339870 MYBZQNOWCJPPLN-JOCHJYFZSA-N 418.489 5.815 0 1 HKAF biogenic CCN(CCCOC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12 13553433 GFNVWRHRRXWKDQ-UHFFFAOYSA-N 407.345 5.113 0 1 HKAF Oc1nc(CCCN2CC=C(c3ccc(C(F)(F)F)cc3)CC2)nc2ccccc12 13581603 PGGINJKNXRCTFV-UHFFFAOYSA-N 413.443 5.076 0 1 HKAF CCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@@H](CC)c1ccccc1 13795658 RBDFPECNPXDUQF-VWLOTQADSA-N 422.572 7.126 0 1 HKAF CC(C)=C(c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)n1ccnc1 28764585 PFBZQHLGVCDSLX-UHFFFAOYSA-N 407.728 6.722 0 1 HKAF CCCCc1nc(Cl)c(C=O)n1Cc1ccc(-c2ccccc2C(=O)O)s1 29477187 GPQXLXKWTPHUQC-UHFFFAOYSA-N 402.903 5.167 0 1 HKAF O=C(NCCCNc1ccc(Cl)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 45335408 APTDQWDLKAQITO-UHFFFAOYSA-N 424.772 5.610 0 1 HKAF CCCC[C@@H](CC)OC(=O)[C@@H]1CCC[C@H](NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 59894602 DHMWTPQCLPNDHA-NJIDZPRISA-N 418.622 5.325 0 1 HKAF CN1CCCC[C@H]1[C@H](NC(=O)c1cccc(C(F)(F)F)c1Cl)c1ccccc1 66259864 XPXKFXNVIAOBEI-PKOBYXMFSA-N 410.867 5.314 0 1 HKAF O=C(Nc1cccnc1)N1CCC[C@H](Cc2cccc(Oc3ccc(F)cc3)c2)C1 68207554 ABYPVBAACIVXPR-LJQANCHMSA-N 405.473 5.500 0 1 HKAF Cc1cc(-c2ccc(Nc3nc4c(s3)CCC[C@@H]4c3ccccc3)cc2)nc(C)n1 73160164 GEAKKNDZDGPBDX-OAQYLSRUSA-N 412.562 6.429 0 1 HKAF Nc1nccc2c1ccn2-c1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 84652015 SGWJPRIDIWXINL-UHFFFAOYSA-N 411.387 5.271 0 1 HKAF OC1(c2cccc(Cl)c2Cl)C[C@@H]2CC[C@@H](C1)N2Cc1c[nH]c2ccccc12 101185040 UTSZTPIAGJECRH-HOTGVXAUSA-N 401.337 5.489 0 1 HKAF CCC[C@H](C(=O)NC#N)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1)CCCC3 113123757 SOZJTZUWEUTVFS-IBGZPJMESA-N 417.578 5.940 0 1 HKAF COc1ccc(Nc2ncc(C(C)C)c(Oc3cccc4c3C(=O)CC4)n2)c(OC)c1 145992321 MKWQXGZUZOGKQA-UHFFFAOYSA-N 419.481 5.282 0 1 HKAF C[C@]12CC[C@H]3[C@]45CCC[C@](C)(C(=O)OC4)[C@@H]5CC[C@@]3(C)[C@@H]1Cc1cc(O)ccc1O2 238767798 HFVKLEZASUROTL-GEBCKKKGSA-N 410.554 5.262 0 1 HKAF CC1=C(/C=C\C2=C3CC[C@@H]([C@@H](C)/C=C/[C@@](C)(O)C(C)C)[C@@]3(C)CCC2)C[C@H](O)CC1 238768678 HYLCFKGHPPBTLL-NQHXQFFZSA-N 412.658 6.900 0 1 HKAF CC1=C(C(=O)OCCC[C@H](CO)CCC[C@@H]2[C@H](C)CCCC2(C)C)C(C)(C)CC=C1 238776611 ONSSRTRCPXQQTE-YMPZKCBVSA-N 418.662 6.854 0 1 HKAF COc1ccccc1[C@@H]1S[C@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccccc1 299812223 JYQFJBJVYZDINM-XJUOHMSHSA-N 406.482 5.540 0 1 HKAF CCCCOc1cc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2cc1Br 586881573 HGCPOEBAYXQFCL-CMDGGOBGSA-N 415.287 5.373 0 1 HKAF COc1cc(/C=C/c2nc3ccc(Br)cc3[nH]2)ccc1Br 586977081 NDQFQPQPFBLNES-XVNBXDOJSA-N 408.093 5.267 0 1 HKAF Fc1cnc(Cl)c2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc12 586998917 SDHWNKTWTLAMKQ-VURMDHGXSA-N 418.653 5.943 0 1 HKAF Cc1cc2nc(-c3cc(Br)c(Br)n3C(C)C)[nH]c2c(C)n1 587005266 QHTQGMXMDNYKNB-UHFFFAOYSA-N 412.129 5.149 0 1 HKAF Cc1ccnc2[nH]c(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)nc12 587013795 YNERSZUXBVOREM-UHFFFAOYSA-N 416.937 6.301 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5cc(C)cc(F)c5[nH]4)c23)cc1 587037888 JZHBKKHCMRLGQK-UHFFFAOYSA-N 420.538 6.283 0 1 HKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(Cl)cc(Br)cc2[nH]1 587066669 QMOZVJCASXSRHH-UHFFFAOYSA-N 421.125 6.398 0 1 HKAF Cc1cc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cc1C 587088472 XIJAQDKCGHVITB-CMDGGOBGSA-N 411.336 6.210 0 1 HKAF COc1cccc(-n2cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cn2)c1 587103841 BPSSSGPOHUJEJJ-UHFFFAOYSA-N 403.441 5.308 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(F)c(C(F)(F)F)c(F)c3)nc3cccc1c23 587104599 UVYSRAVUSSPPIE-UHFFFAOYSA-N 411.329 6.410 0 1 HKAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587117700 UZJOUIRDFBLVBN-UHFFFAOYSA-N 406.795 5.215 0 1 HKAF Cc1c(Br)cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1C 587137680 FSYPRULRZWTJKA-UHFFFAOYSA-N 416.063 5.650 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1F 587151015 OIONWPVMHNOUJA-LJQANCHMSA-N 408.301 5.566 0 1 HKAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587151601 SWAZMHOCKQYKIH-ZETCQYMHSA-N 421.163 5.762 0 1 HKAF CC(C)(C)c1cccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587159390 OJHUJKAAPBXZJM-JOCHJYFZSA-N 408.904 6.821 0 1 HKAF Fc1nc(Cl)ccc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587177363 GATQHBQXIBCRIA-UHFFFAOYSA-N 410.552 5.079 0 1 HKAF CCCCC/C=C\C/C=C/CCCCCCCC(=O)c1coc2ccc(Cl)cc12 587276727 SLGXREARJQHLQJ-IXWMQOLASA-N 415.017 9.082 0 1 HKAF C[C@@]1(c2ccc(F)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337122 RCEQAGOPUGSONA-RSXGOPAZSA-N 416.423 6.098 0 1 HKAF CC(C)[C@@]1(c2cc(F)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337802 VWRBCCHFMPDPIM-UPVQGACJSA-N 412.407 5.720 0 1 HKAF Cc1ccc([C@]2(C3CCCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 587356265 ORGNKWLVNRODMA-NOZRDPDXSA-N 406.453 5.877 0 1 HKAF CCCCC[C@@H]1[C@@H](CC(=O)OC)CC[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 587477736 GGWGZVMAUIRQSP-XKPFWTEKSA-N 402.531 5.218 0 1 HKAF CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC1CCCC1 587524600 PCDTZPURRBYEIH-DEOSSOPVSA-N 406.522 5.992 0 1 HKAF O=C1C[C@H](c2ccccc2Sc2ccccc2Cl)Oc2c1ccc1c2CCCC1 587531262 HAWRSYRPRLCCMH-JOCHJYFZSA-N 420.961 7.077 0 1 HKAF COc1ccc(OCc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587531521 GZVZKTVELAJYSY-XMMPIXPASA-N 404.462 5.453 0 1 HKAF CC[C@@]1(c2cc(F)c(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587556277 JCMQPCYHAGJKGD-UGKGYDQZSA-N 400.352 5.077 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2nccs2)c1 587619865 VDTTXSQGLDGMAP-SIKLNZKXSA-N 401.443 5.219 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F 587720791 URPZURHZVVBNBB-QGHHPUGFSA-N 400.238 5.122 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(F)c2)N1 587724218 GBZFXIIGXNBBKO-VPTHRUTESA-N 417.091 5.113 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccncc3)cc2F)N1 587725258 OENJOVBYOPSCTE-QKVFXAPYSA-N 415.281 5.413 0 1 HKAF CC(=O)c1cccc(/C=C/[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F 587725606 FHWVTEKPPYFXAH-AOOQMHFFSA-N 406.270 5.219 0 1 HKAF CCCCCOc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587790796 GOMAABAQCXDXIW-QKKBWIMNSA-N 406.339 5.781 0 1 HKAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC1CC1 587807028 KSVMALGQTQSONX-GTJPDFRWSA-N 420.322 5.009 0 1 HKAF Cc1ccc(C)c([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587813006 ACRRSSZZTOLSEH-BXKMTCNYSA-N 424.357 6.031 0 1 HKAF C/C=C/[C@]1(C2=C(C)C=CCC2(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587815907 RBZXMIMNGVNWOW-FDLGVJDCSA-N 404.367 6.196 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(O)c2)N1 587832634 KDSPHUGCXMSZSC-RCDICMHDSA-N 412.302 5.120 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1COc1ccccc12 587836040 RHMUUDZXBCOIKY-FATZIPQQSA-N 424.313 5.307 0 1 HKAF CCC[C@]1(c2ccc(Cl)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 587845811 FXTUOPBYYJBCKM-BMLIUANNSA-N 402.760 5.881 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2c(Cl)cccc2s1 587869599 NGFQJOCLDZLCFT-UHFFFAOYSA-N 410.808 5.225 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c(O)c2)cc1OC 587925507 AGRXZFTUGYHIIW-UHFFFAOYSA-N 414.383 5.639 0 1 HKAF CC(C)c1ccc(-c2cc(O)n(-c3cnc4cc(Br)ccc4c3)c2O)cc1 587938843 DEJJDLFXYIIICX-UHFFFAOYSA-N 423.310 5.990 0 1 HKAF C[C@@H](CC1CCCCC1)[C@H]1c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961779619 GQJLLHIUNSKXEO-UUOWRZLLSA-N 412.618 6.486 0 1 HKAF Cc1cc2c(cc1F)[C@](c1ccc(C3OCCO3)cc1)(c1cccc(C)c1C)NCC2 962374629 LQZXEKUYHKGHEW-MHZLTWQESA-N 417.524 5.234 0 1 HKAF C[C@H](c1ccc(C(F)(F)F)cc1)[C@H]1c2ccsc2CCN1Cc1cccnc1 962995238 MPLUYUVFMBSYAO-VFNWGFHPSA-N 402.485 6.065 0 1 HKAF COc1cccc2cc3c(nc12)[C@H](c1cccc(OCc2ccccc2F)c1)NCC3 963050956 DELRAXRNTKGYFF-VWLOTQADSA-N 414.480 5.197 0 1 HKAF CC(C)C[C@@]1(c2cccc(Br)c2)c2c(F)cccc2C[C@@H]2CCCN21 963092696 AFKXJMBVBQYXOG-SIKLNZKXSA-N 402.351 5.898 0 1 HKAF COC(=O)c1ccc([C@]2(CCC(F)(F)F)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963095183 CLRAQCHDAVVYEF-DENIHFKCSA-N 421.434 5.219 0 1 HKAF C[C@@]1(c2c(Cl)cc(C(F)(F)F)cc2Cl)c2c(F)cccc2C[C@@H]2CCCN21 963098520 IFXJWMIVRVAOLX-DJJJIMSYSA-N 418.261 6.435 0 1 HKAF O=C(O)CCC[C@@]1(c2cc(F)cc(Cl)c2)c2c(F)cccc2C[C@@H]2CCCN21 963104977 MIHHLLQWIZSFKB-PGRDOPGGSA-N 405.872 5.137 0 1 HKAF COc1c(Cl)cccc1-c1cc(Cl)cc([C@H](CC(=O)O)c2ncc(C)s2)c1 1772649249 GENQBBKPQLLROF-INIZCTEOSA-N 422.333 6.041 0 1 HKAF C[C@@H]1CC2(CC[C@@H]1CC(=O)O)CCN(c1cc(OC(F)(F)F)ccc1Cl)CC2 1772657396 NLNNWVPBXBVTLL-ZIAGYGMSSA-N 419.871 5.736 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(sc3ncnc(Nc4cccc(Cl)c4)c23)C1 1857613758 RVFLYNLIJZFBIL-UHFFFAOYSA-N 416.934 5.382 0 1 HKAF COC(=O)c1ccc(-c2c3nc4ccc(OC)cc4c-3ccn2Cc2ccccc2)cc1 1857617199 USZVKEKONKKLQY-UHFFFAOYSA-N 422.484 5.652 0 1 HKAF COc1ccc(-c2nc(N(C)Cc3ccccc3)sc2C(=O)c2ccccc2)cc1 1857766259 HGEHRTRCKDBPFX-UHFFFAOYSA-N 414.530 5.686 0 1 HKAF CC(C)C1=CC2=CC=C3C(C)(C)[C@H](OC(=O)c4ccccc4)CC[C@]3(C)C2=C(O)[C@H]1O 2356531249 UAFNBKSIDYRJDO-ZYVVXELTSA-N 420.549 5.674 0 1 HKAF CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)CCC=C(C)[C@@H]1C[C@@H](O)C(C)(C)O1 2356674181 YHXSUSPTGLHIRR-RBUKOAKNSA-N 422.949 5.016 0 1 HKAF COC1=CC(c2ccc[nH]2)=N[C@]12O[C@H](C)C[C@@H]1CCCCCCCc3ccc([nH]3)[C@@H]12 2356791812 IYXCTYVGDOJTOK-JIROWCAOSA-N 407.558 5.478 0 1 HKAF COc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)NCC(C)C)c(OC)c1 776963 UICDNGUUEQXZKH-UHFFFAOYSA-N 414.889 5.065 0 1 HKAF CCC[C@H](C1CC1)n1c(CC)nc2c1C(=O)N(C)CN2c1ccc(Cl)cc1Cl 1491975 HPYQQBOLIOXGBO-MRXNPFEDSA-N 421.372 5.685 0 1 HKAF Cc1nc(N(C)c2ccc(C(C)C)cc2)c2c(C)c(C(=O)N3CCCCC3)sc2n1 2937719 RBEPMRPVLVOTMK-UHFFFAOYSA-N 422.598 5.826 0 1 HKAF NS(=O)(=O)c1ccc(-c2[nH]c3ccc(Cl)cc3c2-c2cccc(Cl)c2)cc1 13477368 KLGAEMROZJNCFW-UHFFFAOYSA-N 417.317 5.456 0 1 HKAF C[C@@H](c1ccccc1)[C@@H](C)O[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O 27553436 QCBYZOSVCCPKPO-RYUVBPIJSA-N 418.924 5.664 0 1 HKAF Cc1cccc(CN2CCC(N3C(=O)Nc4ccccc4[C@@H]3c3ccccc3)CC2)c1 28568033 ZQMKSWHKOUADSE-SANMLTNESA-N 411.549 5.597 0 1 HKAF Clc1cccc(Cl)c1COCc1cccn2c(C3CCCCCC3)nnc12 34808869 AGNBBQXIFJWIMQ-UHFFFAOYSA-N 404.341 6.191 0 1 HKAF CCc1ccccc1N[C@@H]1CCCc2nc(-c3c(CC)cccc3CC)cc(OC)c21 40413750 APBBOOMZHRZQBM-HSZRJFAPSA-N 414.593 6.934 0 1 HKAF CO[P@](C)(=O)Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 40892491 BPMHDNJABBOROI-SANMLTNESA-N 400.440 5.304 0 1 HKAF CSc1nc(NCc2ccccc2F)c2cnn(C[C@@H](C)c3ccccc3)c2n1 72122847 UJKRVNQXSJVFMA-OAHLLOKOSA-N 407.518 5.103 0 1 HKAF CN(CCC12CC3CC(CC(C3)C1)C2)Cc1ccc(I)cc1 95558675 ZIOSNLAOJRUKMN-UHFFFAOYSA-N 409.355 5.330 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1/C=C/c1cc(C(=O)N2CCN(c3ccccc3)CC2)no1 95579015 LKAMVAXWRGYUEG-VDZCTEQFSA-N 405.542 5.033 0 1 HKAF CCC(=O)N1CCc2cc(-c3csc(NC(=O)c4cc5ccccc5o4)n3)ccc21 95755248 VAOZYJRAQVDAPF-UHFFFAOYSA-N 417.490 5.108 0 1 HKAF Nc1ccc(S2(c3ccc(N)cc3)C=C(c3ccccc3)C(c3ccccc3)=C2)cc1 102963991 CRJQJLXKIAVCAA-UHFFFAOYSA-N 420.581 7.169 0 1 HKAF COc1cc(NC(=O)Nc2nc3c(ccc4ccccc43)s2)cc(OC)c1OC 103294890 HTQDYHJFEPHSOZ-UHFFFAOYSA-N 409.467 5.119 0 1 HKAF COc1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)cc1O 104003056 JTIQLKQNUPPFNZ-QYBDOPJKSA-N 412.489 6.030 0 1 HKAF CCCc1ncc(Cc2cc3cc(C)ccc3nc2O)c2cc(OC)c(OC)cc12 145156399 RBKDOQRDFFQPLH-UHFFFAOYSA-N 402.494 5.358 0 1 HKAF Cc1cn(-c2cc3c(c(-c4cccc(F)c4)c2)C(=O)NCC3)c2c1C(=O)CC(C)(C)C2 169308169 OUIASJZGMFCFQE-UHFFFAOYSA-N 416.496 5.033 0 1 HKAF CC(C)c1ccccc1-c1ncc(N(C)C)c(NCc2ccc(-c3cccnc3)cc2)n1 169340133 IPNIYJAIHGHHOQ-UHFFFAOYSA-N 423.564 6.007 0 1 HKAF C/C(COC/C(C)=C1\[C@H]2[C@H](CC[C@H]2C)[C@@]2(C)CC[C@@H]12)=C1\[C@H]2[C@H](CC[C@H]2C)[C@@]2(C)CC[C@@H]12 255266978 SQOAFQJJZLXFIC-VBRXPGJJSA-N 422.697 7.820 0 1 HKAF NCCCNCCCN[C@H](CCC[C@H]1C[C@H]2CC[C@H]1C2)CC[C@@H]1C[C@H]2CC[C@H]1C2 299846997 OZUNTJMPRIGUIC-XTJQBAHISA-N 403.699 5.096 0 1 HKAF CC[C@H](CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 299872600 LGJMUZUPVCAVPU-IVPYWPCMSA-N 416.734 8.105 0 1 HKAF COC(=O)c1cc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c(F)c1Nc1ccccc1 586882954 DEMORYCAFHQPRE-RSDIKHOZSA-N 419.500 5.700 0 1 HKAF OCc1ccccc1-c1cccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 586895039 MGMMZBBWVIECBY-UHFFFAOYSA-N 415.237 5.430 0 1 HKAF Oc1ccc(-c2cccc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c2)cc1 586899061 WOCCATHTBDVSRU-UHFFFAOYSA-N 404.775 6.155 0 1 HKAF CC(C)(C)c1ccc2c(c1)-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O 586990519 LGGNYDLFTISJMB-UHFFFAOYSA-N 405.497 6.215 0 1 HKAF Cc1cc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2cc1Br 586995952 MFPOQPYOKNKTAC-UHFFFAOYSA-N 424.136 5.710 0 1 HKAF Cc1ccc2c3c(cc(-c4ncc(Br)cc4F)nc13)-c1ccccc1C2=O 586996206 QJXRYTXXZUBDEQ-UHFFFAOYSA-N 419.253 5.718 0 1 HKAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cccc(C(F)(F)F)c3[nH]2)cs1 587019668 SYOMCGSVEKXONX-UHFFFAOYSA-N 417.416 5.273 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cccc(Cl)c3[nH]1)N2 587033361 YVVVUDSWCOBSPJ-QVASGMJFSA-N 404.948 5.343 0 1 HKAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1 587039525 STKGBDJLFDQZHD-UHFFFAOYSA-N 419.816 5.101 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CN(Cc1ccccc1)CCC4)-c1ccccc1C2=O 587097107 LLKBAGPZWCJKIQ-UHFFFAOYSA-N 404.513 5.703 0 1 HKAF CC(=O)n1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c2ccccc21 587099205 ZHQQDYWWYSMTEY-UHFFFAOYSA-N 402.453 6.036 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](F)C[C@@H](OCc1ccccc1)C3 587104502 XKPBTLGJCNQBRR-HTAPYJJXSA-N 409.460 5.988 0 1 HKAF Nc1ccc(-c2ccc3nc(/C=C\c4c(F)c(F)c(F)c(F)c4F)[nH]c3c2)cc1N 587135418 ZSHPFGAMRBVIAZ-UTCJRWHESA-N 416.353 5.260 0 1 HKAF CC[C@]1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2O1 587356865 RVEAKPUPPYOXOG-SKBVVQJISA-N 418.464 5.737 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(F)cc(Cl)c2C3)c1 587358956 BUIIHTXQCULARC-UHFFFAOYSA-N 415.851 7.020 0 1 HKAF COc1cccc(-c2cc(Cc3ccc(F)cc3Cl)nc3c2oc2ccccc23)c1 587361358 YQRGJOVPCISWNI-UHFFFAOYSA-N 417.867 7.040 0 1 HKAF COc1cc2c(-c3ccccc3)c(C)oc2cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587415263 YZMGOGCDDYLOST-DEOSSOPVSA-N 413.473 6.014 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1ccccc1Cl)[C@@H](C2)C3=O 587422229 XPPJCJMEZAJFNT-UUOWRZLLSA-N 406.865 5.416 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1c(F)cccc1Cl)[C@@H](C2)C3=O 587424882 XALRAOVLTHJDLH-FYSMJZIKSA-N 424.855 5.555 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(SC)cc4)cc1F)[C@@H](C2)C3=O 587427793 VODXBXDMNIOHRP-YADARESESA-N 406.478 5.712 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)CCN3C(=O)OC(C)(C)C)CC2=O 587474828 KFHWSMDQTYRCQC-JOCHJYFZSA-N 423.509 5.349 0 1 HKAF CCCC[C@H](CC)COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520973 GWSWDJVRMGRUNA-WTYVLRPYSA-N 420.593 7.041 0 1 HKAF Cc1cc2c(cc1[C@@]1(C)CC(=O)c3ccc4c(c3O1)CCCC4)C(C)(C)[C@@H](C)C2(C)C 587521771 GESHNMIBSOASHH-RBSBEOHCSA-N 416.605 6.959 0 1 HKAF Cc1cc(Cl)cc2c1OCCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552805 SOTOPTWOYUIMBC-YKSBVNFPSA-N 422.864 5.384 0 1 HKAF Cc1ccc(-c2cnc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)c(C)c1 587586885 LJLYCMXHQVYAPI-QPPBQGQZSA-N 413.429 5.367 0 1 HKAF Cc1nc(-c2ccccc2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587615954 YEPYTCYZWOZNQI-WMZHIEFXSA-N 415.470 5.527 0 1 HKAF CCOC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2ccc(F)c(Cl)c12 587628053 GLOPSQGRTJDMRT-UHFFFAOYSA-N 410.670 5.496 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(OC(F)(F)F)cc1 587656419 ZTZZOSNULGFQTK-UHFFFAOYSA-N 418.321 5.230 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc(C(F)(F)F)c2)N1 587713682 UHFDMOOSFKZNEJ-BCTVWOGZSA-N 422.647 5.884 0 1 HKAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC(C)C 587790727 HXTUYJFLDCPMSF-FKIZINRSSA-N 408.311 5.008 0 1 HKAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC1CC1 587807031 KSVMALGQTQSONX-LAJNKCICSA-N 420.322 5.009 0 1 HKAF CC(C)C[C@]1(CCc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587810180 CCBNVKCUDLZYRE-ZHRRBRCNSA-N 404.367 5.997 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCC(c3ccccc3)CC2)N1 587823877 SCWKSEAZRWJGOC-CWSSPWHGSA-N 402.351 6.138 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccccc3)o2)N1 587826573 FATRFWWXKBXRGX-YEJXKQKISA-N 400.291 5.646 0 1 HKAF CCCCC[C@]1(c2ccc(O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587836243 ZYXSXXOCIJWAGU-SPLOXXLWSA-N 406.339 5.652 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)sc1Br 587841355 ASEOLTWUYKXTJW-XLKFXECMSA-N 419.157 5.344 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccccc1SC 587860015 OMZGLUUHOZYULM-UHFFFAOYSA-N 407.322 5.666 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1CCCc1ccc(Cl)c(Cl)c1 587942831 BPHHPLKXBHWBEF-PLMTUMEDSA-N 424.412 6.973 0 1 HKAF Cc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2S(C)(=O)=O)cc1 618016479 NQQAXBKYOZLKOO-JOCHJYFZSA-N 410.539 5.221 0 1 HKAF Oc1ccc(-c2nc(-c3ccc(Oc4cccc(Br)c4)cc3)no2)cc1 653764397 YXYPDBOHZUWJPH-UHFFFAOYSA-N 409.239 5.664 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@H]1c1ccc(N2CCCC2)o1 961745672 BQGUYTQCJRXFOT-HSZRJFAPSA-N 423.557 5.121 0 1 HKAF COc1cccc2cc([C@H]3c4ccccc4C[C@@H]4CN(c5ccccc5)CCN43)oc12 962641055 NBJPVEYDUSJVCQ-ATIYNZHBSA-N 410.517 5.278 0 1 HKAF COc1ccc([C@@]2(c3ccnc(C)c3)NCCc3cc(-c4ccccc4)ccc32)cc1 962662904 CYMXYRBEKYYLFF-NDEPHWFRSA-N 406.529 5.503 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2cccc(OC)n2)(c2ccc(C)cc2C)N1 962958136 OSXFUUMCBGBDAE-UZTOHYMASA-N 411.549 5.405 0 1 HKAF COc1cccc2cc3c(nc12)[C@@]1(C=C(Nc2ccccc2F)CC(C)(C)C1)NCC3 963031059 GYNROBHEXVDEJT-SANMLTNESA-N 417.528 5.540 0 1 HKAF CCOC(=O)CCCC[C@@]1(c2cc(C)cc(C)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963105074 ISYCREXXFBPCHA-RPLLCQBOSA-N 423.572 5.830 0 1 HKAF CC(C)(C)OC(=O)Nc1nc(Cl)c([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)s1 963106161 QVKFXRMKGQCWNP-WFASDCNBSA-N 423.941 5.393 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccc(C)cn1)c1ccccc1C(F)(F)F 963241942 OWOGMHIKIPNWJA-KBMIEXCESA-N 424.510 6.357 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@]2(c1ccsc1)c1ccc(Cl)c(Cl)c1 963271942 YHLJXOJCKGASGP-HXUWFJFHSA-N 424.780 6.155 0 1 HKAF O=C(O)/C=C/c1ccc(Oc2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cn1 1772580713 YNTUOQISYURLDY-ONNFQVAWSA-N 405.431 5.265 0 1 HKAF CC(C)c1ccc(-c2c[nH]cc2[C@H](c2ccc(Cl)cc2Cl)n2ccnc2)cc1 1857553054 PKEJTUBRRYVHJC-QHCPKHFHSA-N 410.348 6.946 0 1 HKAF O=C(c1cccc(-c2ccncc2)c1)c1cnc(Nc2cccc(Br)c2)[nH]1 1857596964 VSTGYEMIFOPVMH-UHFFFAOYSA-N 419.282 5.209 0 1 HKAF O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2[C@@H]1c1cccc(F)c1 1857621767 XKGDBADCUICCEX-IBGZPJMESA-N 421.324 6.374 0 1 HKAF CC(C)CC[C@H](O)[C@@](C)(O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857626826 MPYAIDWTDSTPEU-UVCYMGQHSA-N 420.678 5.554 0 1 HKAF C[C@H](c1ccc(Br)cc1F)N1CCC(n2c(O)nc3ccccc32)CC1 1857640240 LYQFYKNKUAECRH-CYBMUJFWSA-N 418.310 5.042 0 1 HKAF COc1ccc([C@H]2C3=C(Sc4ccc(Cl)cc42)c2ccccc2OC3(C)C)cc1 1857762304 NXAGGNWHGWSWCY-JOCHJYFZSA-N 420.961 7.169 0 1 HKAF CN(Cc1ccc2c[nH]nc2c1)C(=O)CCc1cccc(-c2cc3ccccc3[nH]2)c1 1911574346 VAQZKMVTHKPELA-UHFFFAOYSA-N 408.505 5.302 0 1 HKAF CC(C)C[C@@H](C)[C@H](C)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356497281 JQULJCPOAMRTHP-DGMNRHSNSA-N 414.718 7.881 0 1 HKAF CC(C)=CCC[C@]1(C)Oc2c(O)cc3oc(-c4cc(O)cc(O)c4)cc3c2C[C@H]1O 2356629716 OJPLGFVHENPABK-VWNXMTODSA-N 410.466 5.018 0 1 HKAF CC(C)[C@H](O)CC[C@H](C)[C@@H]1CC=C2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356631908 SAXMHLJORFYZHZ-DTRBHHJESA-N 418.662 5.330 0 1 HKAF CC1=C2C[C@@]34CC[C@H](C)[C@@]2(CC1)[C@]3(C)CC1=CCC2=C1[C@]41C=C[C@@]3(CCC[C@@]34C[N@]14)C2 2356649568 QAODPFWMQBRVFP-OACFBFTHSA-N 411.633 6.877 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C=C[C@@H]4C[C@H](O)CC[C@@]4(C)C3=CC[C@]12C)C(C)C 2356704580 ZFRLPKWDPDXIMP-GKHGSFLBSA-N 410.686 7.577 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C 2356807529 XVKYNQLFVQLBRN-LEGKJEDQSA-N 418.662 5.474 0 1 HKAF COc1ccc(-c2nc3cc(F)ccc3nc2C(=O)Nc2c(C)cccc2C)cc1 206053328 MUXSMCJSVFXGHD-UHFFFAOYSA-N 401.441 5.314 0 3 HKAF Cc1c(O)cc2c(c1C)O[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2 2539618 QUEDXNHFTDJVIY-XJGOYTCSSA-N 416.690 8.532 0 1 HKAF endogenous,world C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C/c1ccc(C(=O)O)cc1 13558852 FFIOJDDYNYDRMK-QZXCIGRYSA-N 418.533 5.391 0 1 HKAF CCCCCCN[C@H](CNC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 13737257 GGLIZWJFEQUHFA-RUZDIDTESA-N 423.645 6.966 0 1 HKAF Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)c2nncn2-c2ccccc21 29473695 QVRCFYZPIZQPGS-JOCHJYFZSA-N 407.452 5.023 0 1 HKAF CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@@H](O)CO 32840947 UCYPOAPUDLUXQX-VXOKBQSKSA-N 410.639 6.257 0 1 HKAF endogenous,in-man CC1(C)C[C@@H](NC(=O)Nc2ccccc2Cl)c2cc(Br)ccc2O1 38279990 GZJQSNLEMHHIIP-OAHLLOKOSA-N 409.711 5.526 0 1 HKAF O=C(Cc1ccc(F)cc1)S[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 39233087 UQUXAKQLUJBVTD-GOSISDBHSA-N 409.313 5.573 0 1 HKAF COc1ccc(-c2cc(OC(=O)NC3CCCC3)cc(-c3ccc(OC)cc3)c2)cc1 40980127 GGAUZPFZIVOJQV-UHFFFAOYSA-N 417.505 6.069 0 1 HKAF O=C(CSc1snnc1-c1ccc2ccccc2c1)Nc1ccc(Cl)cc1 45290102 HJKAVUXVIIWMPI-UHFFFAOYSA-N 411.939 5.743 0 1 HKAF CC1=C(c2nc3cc(C)ccc3n2C)[C@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 45322235 FOBNCTRYUULKEU-NRFANRHFSA-N 424.335 5.831 0 1 HKAF O=C(Nc1ccc(-c2csc(-c3nc4ccccc4[nH]3)c2)cc1)Nc1ccsc1 45334339 HXMJHEPTDGVCLK-UHFFFAOYSA-N 416.531 6.664 0 1 HKAF CCCCNC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2Cl)CC1 49055557 KBCABXWNLQBGLN-OAQYLSRUSA-N 420.384 5.210 0 1 HKAF O=c1c(Cc2ccc(Cl)cc2Cl)nnc2scc(-c3ccc(Cl)cc3)n12 64453691 BKGDUYNJGQZSCK-UHFFFAOYSA-N 422.724 5.369 0 1 HKAF CCCn1ccc2cc(-c3ccc(OCc4cccnc4)nc3)cc(Cl)c2c1=O 66101506 TVIGPFLXIMDSMB-UHFFFAOYSA-N 405.885 5.101 0 1 HKAF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NCc3ccccc3)nc2-c2ccccc2F)C1 82152803 HXZJUZGLMMDHKQ-QZTJIDSGSA-N 418.516 5.013 0 1 HKAF CCc1cnc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccccc2)s1 82163192 JXDUWGMDQXJNEG-UHFFFAOYSA-N 404.514 5.623 0 1 HKAF CC[C@@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCCCc3ccccc3)ncnc21 82179811 OVCBLGSLLOXCIE-GOSISDBHSA-N 415.541 5.290 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc(C(C)C)cc2)n1 205847379 LRMJRVNXBHTUIG-SFHVURJKSA-N 411.553 6.149 0 1 HKAF COc1ccccc1[C@H](c1ccc(OCCN2CCCCC2)cc1)c1cccs1 206287476 WKKOVQLWCSPBHD-VWLOTQADSA-N 407.579 5.802 0 1 HKAF O=C(CCCN1CC[C@@]2(c3ccccc3)C[C@H]1Cc1ccccc12)c1ccc(F)cc1 221660476 UMRSQKHYBMTKBO-NAKRPHOHSA-N 413.536 5.795 0 1 HKAF COc1cc(O)cc2c1C(=O)O[C@H]2CCCCC[C@H]1CCC[C@@]2(CC[C@H](C)O2)O1 238735754 CZIMFHQXGMXDMO-JUXWZEJHSA-N 404.503 5.027 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2/C(=C\CO)[C@H]([C@@]3(C)CC[C@H](O)C[C@@H]3O)CC[C@@]21C 238773618 IQSTZRCIVTWSDM-TWSWSZIQSA-N 420.678 5.722 0 1 HKAF CC(=O)[C@]12CCCC[C@@H]1C[C@@H]1[C@@H]3C[C@H](C)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253530774 YYJQALYDDZZWSF-ZKYCVIMMSA-N 400.603 5.335 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC[C@]12C 257001226 ZQIOPEXWVBIZAV-NZMBSZTCSA-N 414.762 9.524 0 1 HKAF Cc1cccc(-n2cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cn2)c1 586987339 NBNBJCRPKASDBF-UHFFFAOYSA-N 403.441 5.313 0 1 HKAF Clc1ccc(Br)nc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587005151 PNIRJCNYTNNABM-UHFFFAOYSA-N 414.690 5.620 0 1 HKAF CCOC(=O)c1ccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2c1 587051064 XAOPGOPSDSYSGI-UHFFFAOYSA-N 404.853 5.540 0 1 HKAF COC(=O)[C@H]1Cc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)-c2ccccc21 587098402 RCMSIMWBCJLSFP-FQEVSTJZSA-N 405.453 5.234 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(C(F)(F)F)ccc3Cl)nc3cccc1c23 587104402 SVRYBSZZVNJBIQ-UHFFFAOYSA-N 409.794 6.785 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c(Cl)c2)cc1F 587144575 AMQGYBIXGXVEFY-UHFFFAOYSA-N 406.675 6.700 0 1 HKAF Oc1ccc2c(-c3cc4c5c(cccc5n3)CC4)ccc(OCc3ccc(F)cc3)c2n1 587214096 WFOQPGVNQAZHTF-UHFFFAOYSA-N 422.459 5.972 0 1 HKAF CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)c1coc2ccccc12 587280748 WXSZYEVTWDTMQQ-CGRWFSSPSA-N 404.594 8.761 0 1 HKAF C[C@@]1(c2ccc(F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335790 OWESEZPWPZDMLX-UNMCSNQZSA-N 400.808 5.598 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)c3cccc4cccc2c34)[C@@H]1c1ccc(F)cc1 587353848 PEVAGRUGEQTBEY-ZEQKJWHPSA-N 410.400 5.135 0 1 HKAF COc1cccc(-c2cc(-c3cc(Cl)cc(Cl)c3)nc3c2oc2ccccc23)c1 587358672 SOMBTFRPBXMNNY-UHFFFAOYSA-N 420.295 7.630 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3ccccc3)nc1-c1cccs1)O2 587415230 YQJWFNVDNFMMCR-OAQYLSRUSA-N 415.518 5.257 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(OCc4ccccc4)c4ccccc4c1)[C@@H](C2)C3=O 587442060 IGVQZFYKSWIQFX-NEKDWFFYSA-N 422.480 5.916 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccccc3)c(F)c1)CC2=O 587466067 JLZRBGCZXRXGRS-DEOSSOPVSA-N 406.453 5.769 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C(=O)c1ccc(C)c(C)c1)(c1ccccc1)CC2=O 587489974 QIFXNUDAVGZHMH-MHZLTWQESA-N 414.501 5.705 0 1 HKAF C[C@]1(c2c(Br)ccc(Cl)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587501169 AMIOQPQORVSNCR-HXUWFJFHSA-N 423.709 6.001 0 1 HKAF CC(C)(C)OC(=O)NCCc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587513261 RGIONYMNTMDEJB-HSZRJFAPSA-N 421.537 5.339 0 1 HKAF C[C@@H]1CCCN(c2ccc(N)c([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)C1 587513815 LGFMFPDEHHAFND-QUGAMOGWSA-N 404.554 5.265 0 1 HKAF CO[C@@H]1C[C@H](c2ccccc2)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587598112 AQBLKVYVYCBATE-HATPXFROSA-N 416.473 5.075 0 1 HKAF CC(C)=CCC/C(C)=C\CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603798 RQRJUFZBXZEUEM-ISXBZDSPSA-N 406.522 6.585 0 1 HKAF CCc1cccc(CC)c1NC(=O)c1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 587631899 ZSHPFAKXTNTXAZ-UHFFFAOYSA-N 420.915 7.005 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)c(F)c2)N1 587709760 CLXKQJRCUYPBMF-XLFHBGCDSA-N 420.219 5.544 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)cc2)N1 587715685 RVVKVXILHMYHML-DYZYQPBXSA-N 402.229 5.405 0 1 HKAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC1CC1 587806035 ILOXDVOEHXEOLQ-GTJPDFRWSA-N 420.322 5.009 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccccc3)cc2)N1 587813472 DBWPMQVVAVDYCB-NPMXOYFQSA-N 410.330 6.053 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@@](C)(c3ccccc3)CC2)N1 587819850 WVQPQMZUQQPALB-UJUVCNOISA-N 400.335 5.626 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC2CCOCC2)(c2ccccc2)N1 587834608 LQXAAVQWUULJKG-IVZQSRNASA-N 418.350 5.183 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3sccc3nc2Cl)N1 587855936 HJSWULQMISGDBB-ZKANADHPSA-N 411.727 5.475 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CNc1ccccc1Cl 587858241 ZYBKMKKOELXQGD-UHFFFAOYSA-N 424.715 5.661 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(C(F)(F)F)cs1 587864095 CJDZLMMVKSFDDC-UHFFFAOYSA-N 407.339 5.432 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sc2cc(F)ccc2c1Cl 587870464 KBJHNDUEPXGJCX-UHFFFAOYSA-N 418.852 5.784 0 1 HKAF CN(c1ccc(-c2csc(-c3ccc(-c4ccccc4)cc3)n2)cc1)S(C)(=O)=O 587924028 ZVJJSRTYQBEUSI-UHFFFAOYSA-N 420.559 5.540 0 1 HKAF COc1ccc(C[C@@H](C)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1OC 587925675 GKHWXPDFXXHNRY-SNVBAGLBSA-N 414.811 5.478 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cncc(Br)c4[nH]3)c2C)c(OC)c1 587930182 QRMKUBGDLKLSIV-UHFFFAOYSA-N 424.298 5.380 0 1 HKAF Clc1cc(Br)c2[nH]c(Cc3ccccc3Oc3ccccc3)nc2c1 587948399 BLTVIDQWASYTOG-UHFFFAOYSA-N 413.702 6.362 0 1 HKAF FC(F)(F)[C@@H]1CCC[C@]2(C1)c1ccccc1C[C@@H]1CN(c3ccccc3)CCN12 962635394 NGTDPLBWQYAFRB-LSWJPFSZSA-N 400.488 5.381 0 1 HKAF O=C(O)[C@]1(Cc2ccc(-c3ccccc3)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963105214 IZTFEGVIDXQJQV-BVAGGSTKSA-N 401.481 5.036 0 1 HKAF CCCCCc1ccc([C@]2(C(F)(F)F)c3ccccc3C[C@H](C)N2CCC)cc1 963241870 OETHAFVJFIDLAP-YADARESESA-N 403.532 6.882 0 1 HKAF CCC[C@H](C)N1CCC(N(Cc2ccccc2)C(=O)Nc2ccc3c(c2)CCC3)CC1 1772574022 XJBUXUYJRKYIMK-NRFANRHFSA-N 419.613 5.862 0 1 HKAF CCN(CC)CCCNc1c2c(nc3ccccc13)-c1cc(OC)c(OC)cc1CC2 1772578383 KSGWQKLMKIEPSZ-UHFFFAOYSA-N 419.569 5.161 0 1 HKAF COc1ccc2c(c1)SCc1cnc(Nc3cccc(Br)c3)nc1-2 1857651050 YYXIOKNRDUZUCX-UHFFFAOYSA-N 400.301 5.264 0 1 HKAF CCC[C@@H](C)CCCCCCCCCCc1cc(O)cc(OS(=O)(=O)O)c1 2356327593 DTKXGPUQRVDFCG-GOSISDBHSA-N 400.581 6.063 0 1 HKAF CC(C)=C[C@@H](C)CC=CCc1c(C)cc2c(c1O)C(=O)[C@H](c1ccc(O)cc1O)CO2 2356519495 DTOHKGTXVWEZIA-KKSFZXQISA-N 422.521 5.562 0 1 HKAF C[C@@H]1CCC([C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)=NC1 2356548760 DWWGVLXWLZBQTA-NQZLIDBBSA-N 413.646 5.404 0 1 HKAF COc1ccc2c(O)c([C@H](C)C(C)=CCC=C(C)Cc3cc(C)co3)c(=O)oc2c1 2356592542 BPQMZQHENRZFOK-GOSISDBHSA-N 408.494 6.038 0 1 HKAF CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NC[C@H](O)CC 4212290 FQQMFHBOKYNGIK-GPXOXTDOSA-N 422.569 5.255 0 1 HKAF CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N1CCOCC1 4215563 SGRSKAQWPPTBLO-JWQCQUIFSA-N 420.553 5.226 0 1 HKAF COc1ccc(/N=c2\ssc(C(=S)Nc3ccc(OC)cc3)c2S)cc1 5596964 RGMHZCNCZBDEKJ-ZZEZOPTASA-N 420.606 5.136 0 1 HKAF OCCCCCCCCCCCCCCCCCCCCCCC1CCCCC1 13415838 ZVFNKSWJOWNILX-UHFFFAOYSA-N 408.755 9.751 0 1 HKAF biogenic CN(C)CC[C@@H](NC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 13684839 JXZAZINVSKOXDR-HSZRJFAPSA-N 407.945 5.822 0 1 HKAF O=C1NC[C@@H](c2ccc(F)cc2)C12CCN(C1(c3cccs3)CCCCC1)CC2 13982668 XKXHBXPCCCQIHX-FQEVSTJZSA-N 412.574 5.042 0 1 HKAF CC(C)=CCC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC=C(C)[C@@H]2Cc1cc(C(=O)O)ccc1O 28340873 IIMZFSAVKIVVHG-DAANFHMWSA-N 410.598 7.158 0 1 HKAF in-vivo COc1cc2oc(-c3ccc(CN(C)Cc4ccccc4)cc3)cc(=O)c2cc1OC 28710708 VUKFZQAYZWJWTL-UHFFFAOYSA-N 415.489 5.109 0 1 HKAF Cc1cc2c(cc1O)CC[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2 34010739 PZZKGQBMBVYPGR-BCQCSXDESA-N 402.663 8.223 0 1 HKAF in-man C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 70451045 GMBQZIIUCVWOCD-DSGQTALYSA-N 416.646 5.794 0 1 HKAF O=C(CCc1ccccc1)c1cc(F)ccc1OC[C@H](O)Cn1ccc2ccccc21 73159648 HZRCICIKFOQXEV-JOCHJYFZSA-N 417.480 5.036 0 1 HKAF Cc1ccc(Sc2ccc(O)cc2)c(Nc2ncnc3nc(CC(C)C)ccc23)c1 73294910 KNEFOPRBGHCUKB-UHFFFAOYSA-N 416.550 6.132 0 1 HKAF c1ccc(Oc2ccccc2-c2nnc3ccc(-c4c[nH]c5ccccc45)nn23)cc1 82060565 XRITYMFDMCVQFO-UHFFFAOYSA-N 403.445 5.732 0 1 HKAF c1ccc(-n2cc(-c3ccnc4cc(OCCCN5CCCCC5)ccc34)cn2)cc1 84635004 BTNRRBHRYCSZMU-UHFFFAOYSA-N 412.537 5.342 0 1 HKAF O=c1c2ccccc2sn1[C@@H](Cc1ccccc1)c1nnc(-c2ccc(F)cc2)o1 95597210 RSESJHPXJFYQCZ-IBGZPJMESA-N 417.465 5.084 0 1 HKAF Cn1cc([C@H]2CC[C@H](CCN3CCN(c4ccccn4)CC3)CC2)c2ccccc21 100031874 LACILEXWDGRNHN-SZPZYZBQSA-N 402.586 5.059 0 1 HKAF Cc1ccc(S(=O)(=O)N[C@@H]2CCCCCCCCCCC(=O)O[C@H](C)CC2)cc1 103205095 IFXIUHSCMJJJJI-NHCUHLMSSA-N 423.619 5.268 0 1 HKAF Clc1ccc(C2=NN[C@H](c3cn(-c4ccccc4)nc3-c3cccs3)C2)cc1 103217954 FUOYIHRFCGVERT-FQEVSTJZSA-N 404.926 5.693 0 1 HKAF Cc1c(N(CCCC(F)(F)F)S(=O)(=O)CC(F)(F)F)sc2ccccc12 115234370 PFWYUUWQQQNJCF-UHFFFAOYSA-N 419.412 5.251 0 1 HKAF CC(C)CC[C@@H](O)[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 169684333 MPYAIDWTDSTPEU-LQIOLYJSSA-N 420.678 5.554 0 1 HKAF CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccsc2)[C@@H]2C(=O)CC(C)(C)CC2=N1 169690627 AREMHURATKVOOF-RTWAWAEBSA-N 410.514 5.343 0 1 HKAF C/C(=C/CC/C(C)=C/Cc1c(O)c(Cl)c(C)c(C=O)c1O)[C@H]1C[C@@H](O)C(C)(C)O1 238732469 YHXSUSPTGLHIRR-CPMJVBGMSA-N 422.949 5.016 0 1 HKAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4cccc(Cl)c4[nH]3)c(=O)oc2c1C 586919070 YSSGMWLLLRSXQI-UHFFFAOYSA-N 422.912 5.875 0 1 HKAF COc1cc(OC)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1Cl 586984678 AMCWKNTYKVDLGO-UHFFFAOYSA-N 417.848 5.489 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@]1(CCc2ccccc21)C3 586992175 YGTAVESWWQESSF-MUUNZHRXSA-N 403.481 5.525 0 1 HKAF Cc1ccc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2c1C 587005280 QYGHIZVIKMVRDY-UHFFFAOYSA-N 411.141 5.754 0 1 HKAF Fc1c(Cl)cc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2c1F 587029870 UTNZKFKKPRLLBA-UHFFFAOYSA-N 401.829 5.016 0 1 HKAF Fc1c(F)c(F)c2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc2c1F 587047293 FGUUITAFHKOQDX-UHFFFAOYSA-N 411.185 6.760 0 1 HKAF Cc1c(Br)cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1C 587052222 YSTVJHLOUCICIW-QWRGUYRKSA-N 410.142 6.520 0 1 HKAF FC(F)(F)c1nc(Cl)[nH]c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)nc1-2 587083432 UDTXKKJEWNNUNJ-UHFFFAOYSA-N 418.593 5.499 0 1 HKAF CCOC(=O)[C@@H](Cc1ccccc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098468 SMNFFAAPDUBEQL-QHCPKHFHSA-N 421.496 5.644 0 1 HKAF O=C(c1nc2cc(SC(F)(F)F)ccc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133579 ULIWMVZXRUYRRS-UHFFFAOYSA-N 409.191 5.852 0 1 HKAF Cc1cc(-c2nc3c(F)c(F)c(F)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144046 FQFCPEUFUXMJRJ-UHFFFAOYSA-N 400.331 5.460 0 1 HKAF CC(C)[C@@H](c1nc2cccc(C(F)(F)F)c2[nH]1)N(C)C(=O)OCc1ccccc1 587198372 ZTILXWPAYCRGDQ-SFHVURJKSA-N 405.420 5.547 0 1 HKAF C[C@@]1(c2cc3cc(F)ccc3o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331462 HDTIUSPEIPIREK-UPVQGACJSA-N 406.384 5.691 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](CC2CCCC2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 587350991 FTLKIKNULRLYHK-VPUSJEBWSA-N 416.492 6.366 0 1 HKAF COc1ccc([C@H](C)[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587352022 NSOPZULWKGRLTB-ZFNHMYRTSA-N 406.453 5.461 0 1 HKAF CC[C@H](C)c1ccc([C@]2(CC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587358425 XYUNWOISXKJXLC-CCXQXCJASA-N 418.508 6.709 0 1 HKAF CCc1c(-c2ccc(Cl)s2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587365537 NCPVMXWGMYDBCX-UHFFFAOYSA-N 419.933 7.601 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](CCC(=O)O)CCC3)c1 587366947 OVXUSYMQHOTDQT-HNNXBMFYSA-N 401.462 5.941 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](C)CCc3ccc(Br)cc31)O2 587370690 HJJGEZUUVUQTFN-XUSGNXJCSA-N 400.316 5.173 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(Br)cc3)s1)O2 587410112 LEPMEMLZBCBEFB-QGZVFWFLSA-N 414.324 5.775 0 1 HKAF CC[C@@]1(c2ccc(Br)cc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587412054 GXHUSNGFZAACOW-KUHUBIRLSA-N 407.691 5.164 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCNc3ccc(Br)cc31)CC2=O 587456858 BVBUAVBDASOYRQ-NRFANRHFSA-N 416.315 5.174 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1cccc(C(F)(F)F)c1)CC2=O 587464703 WIPXDQJTNNFKJJ-SSSWZJSRSA-N 419.443 5.300 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(NC(=O)C(C)(C)C)cccc1OC)CC2=O 587471065 QGGMQGSVAHKLBM-HXUWFJFHSA-N 411.498 5.044 0 1 HKAF C[C@]1(c2ccc(Cl)cc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587501712 JRGSNKXQWOSVBP-HXUWFJFHSA-N 405.719 5.862 0 1 HKAF CCCC[C@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587505967 MLOJDVOVXIKHDN-HSZRJFAPSA-N 403.349 6.923 0 1 HKAF O=C1C[C@@H](c2c(F)cc(OCc3ccccc3)cc2F)Oc2c1ccc1c2CCCC1 587509803 WTMVBRUCRRGWHZ-DEOSSOPVSA-N 420.455 6.129 0 1 HKAF O=C(C[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)Nc1ccccc1 587511470 KZZVIGJKFOMORC-MHZLTWQESA-N 411.501 5.455 0 1 HKAF CC(C)[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1ccc3c(c1O2)CCCC3 587517706 SLDJBWZYPPBMPK-CJFMBICVSA-N 413.558 5.325 0 1 HKAF CC(C)(C)c1ccc([C@]2(CCCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587528861 FPJMXZDROARXMF-MHZLTWQESA-N 420.549 5.979 0 1 HKAF Cc1ccc(-c2cnc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)c(C)c1 587586888 LJLYCMXHQVYAPI-ZJSXRUAMSA-N 413.429 5.367 0 1 HKAF Fc1ccc2[nH]c(-c3ccccc3)c(-c3ccccc3Br)c2c1Cl 587628966 WVOAIOGTWVKVBO-UHFFFAOYSA-N 400.678 7.057 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2C(F)(F)F)N1 587714128 UZBGRCDQNWIIEN-ZKANADHPSA-N 406.192 5.370 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(C2CCCC2)N1 587732228 INSGIZQHOLBONX-LRTDBIEQSA-N 406.314 5.695 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccc(F)cc2)N1 587737317 XABMQFIIOKVTKA-WHEQGISXSA-N 414.293 6.018 0 1 HKAF CC[C@]1(C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2cc(Br)c(F)cc21 587816024 SLSQFTFSUDBTPS-OKLCXMGGSA-N 406.383 5.944 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C3CCCCC3)cc2)N1 587816097 UDWPCMIJRHQQOV-NPMXOYFQSA-N 416.378 6.434 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncnc(Cl)c1C(C)C 587864416 GHMVKKLEFBDDHY-UHFFFAOYSA-N 410.827 5.524 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3c(F)cccc3F)n2)cc1 587923234 WURHLHSVVIBYGJ-UHFFFAOYSA-N 406.432 7.043 0 1 HKAF COc1ccc(C[C@H](C)c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1OC 587926210 KPOLJYUIHYUZSS-INIZCTEOSA-N 400.478 5.157 0 1 HKAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(Br)c(O)c4[nH]3)c2)c1 587933652 ULXOPWAOXRPJAP-UHFFFAOYSA-N 411.255 5.079 0 1 HKAF C(=C/c1ccccc1Oc1ccccc1)\c1nc2ccc(Oc3ccccc3)cc2[nH]1 587950069 OWWQTQCKSQZOFK-OBGWFSINSA-N 404.469 7.318 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(/C=C\c4cccc5ccccc45)[nH]c3c2)cc1 587968729 OSSMCTPVAOAVMS-WJDWOHSUSA-N 420.468 6.465 0 1 HKAF COc1ccc2cc([C@@H](C)c3nnc4n3N=C(c3ccc(F)cc3)CS4)ccc2c1 653689984 KFEXOZPDUQQSJM-CQSZACIVSA-N 418.497 5.089 0 1 HKAF COc1ccc(Cl)cc1C1=C(Br)C(=O)O/C1=C\c1ccc(F)cc1 653733684 HGCPVLSWKQANLP-NVNXTCNLSA-N 409.638 5.192 0 1 HKAF COc1cccc(-c2cccc([C@@H]3c4c(ccc(OC)c4OC)C[C@H](C)N3C)c2)c1 962619703 FLEZPJPJJRTJPT-SSOJOUAXSA-N 403.522 5.345 0 1 HKAF C[C@]1(c2ccc(O)cc2Cl)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962647816 WOXSFMJIJFUZKT-CJFMBICVSA-N 404.941 5.056 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2ccc(F)c(F)c2Br)N1 962945645 JIFJWIZZXMNOQL-YBTHPKLGSA-N 405.286 5.396 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(C=C(c3cccc(O)c3)Oc3ccccc32)N1 962950393 MUOUYXUUJVRBDC-MYUZEXMDSA-N 408.501 5.475 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1cccc(-c2ccc(C(=O)O)cc2)c1 963050650 CRISLJHZJVYTEN-MHZLTWQESA-N 424.500 5.018 0 1 HKAF CCCOc1c(Cl)cc([C@H]2c3c(F)cccc3C[C@H]3CCCN23)cc1OCC 963107120 NRJNVUMGAAJSIF-VGSWGCGISA-N 403.925 5.777 0 1 HKAF Cc1c(C)c2ccc(OC[C@]3(C)c4ccc(F)cc4C[C@@H]4CCCN43)c(C)c2oc1=O 963113250 SPZDJRZNZYTVHY-RXFWQSSRSA-N 421.512 5.172 0 1 HKAF CN1CCc2c(Br)cccc2[C@H]1c1ccc(-c2ccccc2Cl)o1 963280738 OQTIOJBDKXPLHY-FQEVSTJZSA-N 402.719 5.940 0 1 HKAF C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3Cl)cn2)[C@H]2[C@H](CC1(F)F)C(=O)O[C@@H]2C 1772575390 WGXLZMPOJPJRDZ-AFROBNEVSA-N 417.883 5.884 0 1 HKAF COC(=O)CCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 1857749809 CCCWJRJFTCAWNV-UHFFFAOYSA-N 412.485 5.946 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@](C)(CCC(C)=CC(=O)OC)[C@H]2CCC=C(C)[C@@]12C 2356604784 GRAKDQZADDSMPS-JXPBMYTPSA-N 416.602 6.173 0 1 HKAF COc1ccc2c(=O)c3c(oc2c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c1cccc(Oc2ccccc2)c1)[C@@H]1Cc2c(-c3ccccc3)ccnc2O1 61895444 XTTWITFXQLZRRW-DEOSSOPVSA-N 408.457 5.483 0 3 HKAF C[C@@H]1Oc2c3c(c4c(-c5ccccc5)cc(=O)oc4c2C(=O)[C@@H]1C)OC(C)(C)C=C3 3874985 YRHQANFINIANSK-KGLIPLIRSA-N 402.446 5.244 0 1 HKAF biogenic CC(/C=C/c1ccoc1-c1cc(C(C)C)cc(C(C)C)c1OCCCF)=C\C(=O)O 13527158 DYOYTHHXUKCMEU-OZOLYBCPSA-N 414.517 6.976 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(CO)cc1 13795215 HEAYIJDVUJVRRR-DOFZRALJSA-N 409.614 7.263 0 1 HKAF O=C(NC1CCN(CC2CCCCCCC2)CC1)C(c1ccccc1)c1ccccc1 13862617 FORGSABZBFVYHJ-UHFFFAOYSA-N 418.625 5.760 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)ccc2c1OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4 14614042 MNVKKIZBXXYHDP-HPRYFGGTSA-N 420.505 5.966 0 1 HKAF CCCc1c(O[C@H](c2ccccc2)c2ccc(C(=O)O)cc2)ccc(C(C)=O)c1O 27892460 UXZCSGDVSFRJLG-XMMPIXPASA-N 404.462 5.414 0 1 HKAF COc1ccc2c(c1)c(CCC(=O)O)c(C)n2C(=O)c1ccc(-c2ccccc2)cc1 28125987 WEBWHZNJJKAGJP-UHFFFAOYSA-N 413.473 5.331 0 1 HKAF CO[C@@H](C)c1cc(F)cc2c1[C@@H](Cc1ccc(Cl)cc1)C1=C2CC[C@@H]1CC(=O)O 28821750 ZUKZYOZCSCWGNS-KUUHDYPXSA-N 414.904 6.165 0 1 HKAF COc1ccc([C@@H]2CC3(N4CCCCC4)CC(=O)C2[C@H](c2ccc(OC)cc2)C3)cc1 34401877 LFLZLNYRDAENMG-URYVUTJFSA-N 419.565 5.179 0 1 HKAF CCCCCC(C)(C)C/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCCO 38146457 ZYEZKKALDOOLCG-UYTONBNTSA-N 403.651 6.657 0 1 HKAF CCCCC[C@@H]1CC2(c3cc(-c4ccc(/C=C/C(=O)O)cc4)ccc3O)CCC1CC2 40430242 SKYFOVJTZRLXIF-CIRPWULNSA-N 418.577 7.185 0 1 HKAF COC(=O)[C@H]1CC=C(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)C[C@H]1C(=O)OC 40457106 MRKGZZRVSSGZIK-SGKWCMOWSA-N 422.650 6.724 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(CO)CC[C@H](O)CC1=C[C@@H]3O 40936916 HFNOEDZKKALPKD-WELNICBBSA-N 418.662 5.332 0 1 HKAF O=C(Nc1ccc(O[C@@H]2CCN(Cc3ccsc3)C2)c(Cl)c1)c1cccs1 45301591 RSCUJFCXGPTOHL-MRXNPFEDSA-N 418.971 5.369 0 1 HKAF CCCC[C@@H]1CSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1 49033333 LZMKZXBLUSHGGU-GOSISDBHSA-N 410.612 6.024 0 1 HKAF O=C(CCCCCCCCCCO)Nc1cn(-c2ccccc2)nc1-c1ccccc1 49051072 VAKCGTNWOBZXRS-UHFFFAOYSA-N 419.569 5.981 0 1 HKAF Nc1ncnc2c1sc1nc3c(c(-c4cc5ccccc5o4)c12)CCCCCCC3 49073372 XZCDGNIZPITSGQ-UHFFFAOYSA-N 414.534 6.284 0 1 HKAF Cc1cccc(-c2ccccc2)c1Nc1nc(NCc2ccc3occc3c2)[nH]c(=O)n1 64528025 CXEWRFDQZWGKCT-UHFFFAOYSA-N 423.476 5.242 0 1 HKAF O=C1c2cc(N3CCCCC3)ccc2N[C@H](Cc2ccccc2)N1c1ccc(O)cc1 72113052 KEQZMBNINGGAPZ-VWLOTQADSA-N 413.521 5.024 0 1 HKAF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 72136311 IGFYKKMUZDKYHU-CWTIFUATSA-N 403.607 5.055 0 1 HKAF Cc1ncc(C)c(-c2ccc(Nc3nc4c(s3)CCC[C@@H]4c3ccccc3)cc2)n1 73141751 NWZNULJWWABBIT-OAQYLSRUSA-N 412.562 6.429 0 1 HKAF CC[C@@H](C)NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(F)cc1 82216443 VXAOFKDUEFHRFH-XJLXEZPNSA-N 424.564 5.294 0 1 HKAF Nc1nccn2c(C3CCC3)nc(-c3ccc(Oc4cccc5ccccc45)cc3)c12 96168223 WAWAUVIPZRFNNE-UHFFFAOYSA-N 406.489 6.192 0 1 HKAF CCOCCOC(=O)Nc1cc2nc(C3CCCCC3)[nH]c2cc1N(CC)CC 103239803 UGHAULLHTBIFHY-UHFFFAOYSA-N 402.539 5.042 0 1 HKAF Cc1cccc(C(=O)Nc2cccc(-c3ccc(OC4CCN(C)CC4)cc3)c2)c1 103242605 CRYLDHKJAOJFCA-UHFFFAOYSA-N 400.522 5.387 0 1 HKAF O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(-n2c3ccccc3c3ccccc32)cc1 103285801 DXSROIUHDNXGHO-AREMUKBSSA-N 407.469 5.858 0 1 HKAF CCO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3)nn2[C@H]1c1cccs1 103667541 GNLHAARHWLNOIE-HMNTXPNISA-N 412.540 5.133 0 1 HKAF CCO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3)nn2[C@@H]1c1cccs1 103667547 GNLHAARHWLNOIE-FXBHHXAOSA-N 412.540 5.133 0 1 HKAF CCC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1 114545319 OSGYMPYUAXZAJU-GSDWXQOLSA-N 408.501 6.420 0 1 HKAF O=C1c2ccccc2-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc21 169326006 GXYNLSPFPPHUPK-UHFFFAOYSA-N 404.274 5.006 0 1 HKAF C(=C1/CCC[C@@H]2C1=NN(CCCN1CCCCC1)[C@@H]2c1ccccc1)\c1ccccc1 169328498 OPGBFZHYHPIEJO-IZCGKVMYSA-N 413.609 6.159 0 1 HKAF CCCCCNC(=O)NCCCC/C=C\CCCCCSc1ccccc1O 203755330 OAHDFXPDECDYHK-PLNGDYQASA-N 406.636 6.261 0 1 HKAF CC(C)[C@H](C)/C=C\[C@H](C)[C@@H]1CC[C@@H]2C3=C([C@H](O)C[C@@]21C)[C@@]1(C)CC[C@@H](O)CC1=CC3 257531899 RJWIGXOAUROSSK-NAQTVXFKSA-N 412.658 6.446 0 1 HKAF endogenous,in-man COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3cccc4cnccc34)CC[C@@H]12 299826877 NTVVOHVKYUDUMB-AGATZJSKSA-N 413.561 6.589 0 1 HKAF COc1ccccc1-c1cc(-c2ccccc2)nc(NC[C@H]2CC[C@H](C(=O)O)CC2)n1 299829406 UKIOFJLJLDLYDH-UAPYVXQJSA-N 417.509 5.122 0 1 HKAF CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(O)cc2)CC1 299838693 QULTXLKAKCQMRD-UHFFFAOYSA-N 412.574 5.937 0 1 HKAF CS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@H]2c2cccc3ccccc23)cc1 299839441 RRRXFUYNAICAAP-IBGZPJMESA-N 418.440 5.113 0 1 HKAF COc1ccc(CN2CCC(NCCCCCCn3ccc4ccccc43)CC2)cc1 299858553 DSSKSXWTFVEWSX-UHFFFAOYSA-N 419.613 5.465 0 1 HKAF CCc1ccc(-c2nc3c(Br)ncc(Br)c3[nH]2)cc1CC 586879697 MVSUZCZOXUJQAZ-UHFFFAOYSA-N 409.125 5.275 0 1 HKAF FC(F)(F)Oc1cc(Br)cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c12 586888090 WFTGLNFCQLNZBG-SCLBCKFNSA-N 423.232 5.596 0 1 HKAF C[C@@H](SCc1ccccc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586962031 ALYGOMZTFQMSHQ-SNVBAGLBSA-N 415.278 6.339 0 1 HKAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)s1 587014001 FZJRAEHCLIWUBX-LLVKDONJSA-N 424.364 5.642 0 1 HKAF Ic1cccc2[nH]c(-c3ccc(-c4nccs4)s3)nc12 587023951 SZIXBTQQIKJUHO-UHFFFAOYSA-N 409.277 5.020 0 1 HKAF Clc1ncc(Br)c2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 587032565 KUYPVNCIHYVMNH-UHFFFAOYSA-N 419.735 5.382 0 1 HKAF COc1cc(/C=C/c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc(Cl)c1OCC(C)C 587046977 QNDPLNYDIPRCCP-SNAWJCMRSA-N 418.852 5.267 0 1 HKAF COc1cc(/C=C\c2nc3cc4ccccc4cc3[nH]2)cc(Cl)c1OCC(C)C 587047055 SHRSUTQVYBQSFA-HJWRWDBZSA-N 406.913 6.583 0 1 HKAF Oc1nc(NCc2ccccc2)c2nc(/C=C/c3cccc(Cl)c3Cl)nc-2[nH]1 587053531 DWJZOZHNWCYFPT-MDZDMXLPSA-N 412.280 5.099 0 1 HKAF CNc1cc(Cl)ccc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587066832 IBIYCYAHMRATID-UHFFFAOYSA-N 422.754 6.112 0 1 HKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(Br)ncc4[nH]3)c2)cc1 587067504 DIUDUTDHKCVMKO-UHFFFAOYSA-N 414.690 5.200 0 1 HKAF Oc1ccccc1-c1cc(-c2nc3cnc4ccccc4c3[nH]2)c2cccc(Cl)c2n1 587081959 ABIJBVBGMLWNEF-UHFFFAOYSA-N 422.875 6.352 0 1 HKAF CCCCOc1cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2cc1Br 587084403 LUPLGPFVWPBREZ-UHFFFAOYSA-N 420.738 5.633 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1c(Br)cccc1CC3 587101075 CRFNKXWOMKHPLZ-UHFFFAOYSA-N 412.286 5.974 0 1 HKAF C/C=C/COc1ccc(CCc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587107256 QWGLIMFQTAAOEY-NSCUHMNNSA-N 405.497 6.186 0 1 HKAF Fc1ccccc1-c1cccc(-c2nc3ccc(I)cc3[nH]2)c1 587153188 NHSUBFYEMZQZGF-UHFFFAOYSA-N 414.221 5.641 0 1 HKAF CC[C@]1(c2ccc([C@@H](C)OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345701 GHZGVKQAGHKGDG-RCQUUQHHSA-N 420.480 5.903 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](n2cncn2)C[C@@H](C)C3)c1 587361980 AAIZSYIBDZRKMX-MGPUTAFESA-N 410.477 5.420 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ccc(Cl)cc3Cl)cc1)O2 587374648 INEKYFHZDDJPKJ-NRFANRHFSA-N 414.288 6.383 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OCC)c(OC(C)C)cc1Cl)CC2=O 587462429 ZLFCGSLGQJPGMZ-HXUWFJFHSA-N 418.917 5.891 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](c2ccccc2O)Oc2ccccc21 587485782 JXHSFZHUBCFMPF-AZGAKELHSA-N 416.473 5.435 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cccs1)([C@@H]1O[C@@H]1c1ccccc1)CC2=O 587492864 CYKZFSOVUCVLFB-GMKZXUHWSA-N 406.503 5.407 0 1 HKAF CC(C)(C)C(=O)Nc1ccnc(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587499190 LPDPRZVMMIOSOT-GOSISDBHSA-N 412.917 5.305 0 1 HKAF C[C@@]1(c2ccc(Oc3cc(F)ccc3F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587504208 HRRNNMMYDVBAGG-SANMLTNESA-N 420.455 6.517 0 1 HKAF CC(C)(C)OC(=O)N1CCc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c21 587511901 AIAURPRSIODOGN-QFIPXVFZSA-N 419.521 5.570 0 1 HKAF Cc1ccc2nc(Cl)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1 587551786 JNODMOGKFWSMFN-REWPJTCUSA-N 417.848 5.605 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2c(F)cccc2F)o1 587559795 YZOCHHZJBJGZMX-ZJSXRUAMSA-N 420.367 5.633 0 1 HKAF Cc1onc(-c2ccccc2)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587865 QHHGDNRMWUGWJQ-SQJMNOBHSA-N 413.429 5.233 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(c1ccc(O)cc1)CC2 587607353 IDAIOGFCXXOEDQ-ONWYWGCKSA-N 402.446 5.156 0 1 HKAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccc(C(F)(F)F)cc1 587623082 YJVUWDLERNSTKG-UHFFFAOYSA-N 422.204 5.365 0 1 HKAF Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 587678045 MSSZALBXUREBAQ-QGHHPUGFSA-N 413.128 5.283 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)ccc2Cl)N1 587692739 LOWPYCBNTVWPHF-HUTHGQBESA-N 403.122 5.693 0 1 HKAF CC[C@@]1(c2cc(Cl)ccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587693762 FIBIGQNCJLRPSB-WYRIXSBYSA-N 412.730 5.438 0 1 HKAF CC[C@H](C)n1nc(C)c(Cl)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587694264 GLHVRDPJSJEUQQ-GPHJXTMHSA-N 414.750 5.341 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2cccc(Cl)c2)N1 587699606 LCPHJPZABOVANG-BNXIHZENSA-N 423.757 5.095 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C(F)(F)F)c1 587713202 SCCKTGZOVYEEFS-BMLIUANNSA-N 402.229 5.539 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)c(F)c(F)c(F)c2F)N1 587717769 GTQHKTJMYQOUJY-HQRLLJBISA-N 424.182 5.081 0 1 HKAF CCn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(OC)ccc21 587760064 WXIGCDGOWFGVBI-LAJNKCICSA-N 417.322 5.195 0 1 HKAF CCOc1cccc(OCC)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587801387 KZFHKOOBXIUEHX-YEJXKQKISA-N 422.338 5.183 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587815424 MRPZWRPTTDJCCV-BXKMTCNYSA-N 424.357 6.031 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ccc(C(C)(C)C)cc32)N1 587816764 CUWLVYFQNPLSAK-QKFKETGDSA-N 416.378 6.000 0 1 HKAF CCCCCC[C@]1(c2ccc(O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587834690 SUJKIPUYNOAPFJ-OYHNWAKOSA-N 420.366 6.042 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)n1cc(Cl)cn1 587857025 ZNGOYYBUPCIQSF-SNVBAGLBSA-N 413.692 5.007 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc2cccnc12 587864255 IHCIRJXVHQAWDW-UHFFFAOYSA-N 411.383 5.204 0 1 HKAF O=C(Nc1ccc(Oc2cc[nH]c3nccc2-3)cc1)c1cc(-c2ccccc2)ccn1 653764360 NVGNVXYWXIEDEO-UHFFFAOYSA-N 406.445 5.621 0 1 HKAF COc1ccc2c(c1)[C@@]1(C[C@@H](c3ccccc3O)Oc3ccccc31)N(C(C)C)CC2 962093056 PCCGEOXVRLUJKO-SVBPBHIXSA-N 415.533 5.435 0 1 HKAF C[C@]1(c2ccc(Oc3ccccc3)cn2)c2ccsc2CCN1Cc1cccnc1 962997181 KOWLKZZLRVYGFP-RUZDIDTESA-N 413.546 5.652 0 1 HKAF CC1(C)C2=C[C@]3(CC(C)(C)[C@]24CC[C@H]1C4)N[C@H](C(=O)O)Cc1c3cnc2ccccc12 963237779 UJNTZEZGUXZYIF-SDFXFTOXSA-N 416.565 5.212 0 1 HKAF CCn1c2ccccc2c2cc(Nc3ncccc3NC(=O)c3cccnc3)ccc21 1857761485 PSTLLWPHUAKZGC-UHFFFAOYSA-N 407.477 5.600 0 1 HKAF O=C(NC1CC2(CCCCC2)NC2(CCCCC2)C1)c1cc2ccc(Cl)cc2[nH]1 1857767758 LIKXHVGEYNPJLC-UHFFFAOYSA-N 413.993 5.709 0 1 HKAF Fc1cccc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)c1 1911579541 MOXSHXMVLQOXEQ-UHFFFAOYSA-N 416.500 5.067 0 1 HKAF CC(=CCCC1=CC[C@H]([C@@H]2COC(=O)C2)O[C@H]1O)CCC1=C(C)CCCC1(C)C 2356630702 AIPOJIGVVVFLQI-BGWNEDDSSA-N 402.575 5.617 0 1 HKAF CC(C)N(C)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 2356832613 ICIFJLMTFSQSDT-ILFYRDGGSA-N 402.711 6.304 0 1 HKAF Cc1nc(-c2ccccc2)sc1[C@]1(C)CC(c2c(Cl)cccc2Cl)=NO1 13682740 UFQAICSIQPXPFV-FQEVSTJZSA-N 403.334 6.465 0 3 HKAF COc1ccc(-c2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)c3occc23)c(C)c1 61926855 XLIKQLAOHKOEEC-UHFFFAOYSA-N 414.461 5.628 0 3 HKAF CCCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cccc2ccccc12 2480433 UGNKKKCLCMYSEW-UHFFFAOYSA-N 400.478 5.700 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 13298404 YIKKMWSQVKJCOP-QPVCMFLNSA-N 400.647 6.568 0 1 HKAF COc1ccc([C@@H](Cc2ccncc2)c2ccc(OC)c(OC3CCCC3)c2)cc1 13441983 QNXJEVYAPFFBLL-XMMPIXPASA-N 403.522 5.795 0 1 HKAF Cc1c(Cc2c(Cl)cccc2Cl)nc(SCc2cccc(F)c2)[nH]c1=O 13677560 IKJMBDSYERPTKL-UHFFFAOYSA-N 409.313 5.407 0 1 HKAF O=C(/C=C/c1ccccc1Sc1ccc(Cl)cc1Cl)NCCCCCCO 13814726 HOIGJABORJXFAP-FMIVXFBMSA-N 424.393 5.827 0 1 HKAF Cc1nc(-c2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc2)cs1 13822242 PYMOZSUFJZTWLN-UHFFFAOYSA-N 413.590 5.636 0 1 HKAF CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2F)[C@H]1c1cccs1 20904266 PIVMIEGGUYSRNL-FCHUYYIVSA-N 422.525 5.463 0 1 HKAF COc1ccc([C@H](c2cccs2)c2ccccc2OCCN2CCCCC2)cc1 29130836 FYMJDDUQYRAIIA-VWLOTQADSA-N 407.579 5.802 0 1 HKAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H]1CO[P@](=O)(O)O1 40164592 AZRMIMGGEACCGU-GSNKCQISSA-N 416.495 5.859 0 1 HKAF endogenous,in-man CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(OC)c2C1 40423328 JEIPZRACKXFYIK-SFHVURJKSA-N 414.496 5.103 0 1 HKAF in-vitro Cc1ccc(CNc2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccccc3F)n2)o1 82150425 CHRYSJGPHALMJM-YCRPNKLZSA-N 422.504 5.105 0 1 HKAF Cc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2c2onc(C)c2-c2ccc(Cl)cc2)N3C)cc1 101165949 YMCSFRMHHAIMBT-AZKZNFPZSA-N 406.957 6.346 0 1 HKAF Clc1ccc(C2=NO[C@@H](c3ccc(Cl)cc3)N2c2ccc(Cl)cc2)cc1 103184153 TZWTZMUIQXYWPB-FQEVSTJZSA-N 403.696 6.544 0 1 HKAF Cc1cccc(N[C@H](c2ccco2)P(=O)(Oc2ccccc2)Oc2ccccc2)c1 103198395 RKAAKCZLEIMALG-DEOSSOPVSA-N 419.417 7.050 0 1 HKAF Cc1c(N(CCc2ccccc2)S(=O)(=O)c2ccccc2)sc2ccccc12 115232561 LLRAZCQLYQEYCW-UHFFFAOYSA-N 407.560 5.648 0 1 HKAF CCOc1cc(O)c(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1CN(CC)CC 142762202 ODGYBFFFHRTUKE-CSKARUKUSA-N 422.352 5.836 0 1 HKAF CCCCCCN1C[C@@H](n2cc(-c3ccc(F)cc3)nn2)[C@@H](O)C[C@@H]1c1ccccc1 169299662 VZAAKSNVIDZHKA-SDHSZQHLSA-N 422.548 5.014 0 1 HKAF O=C(/C(=C(\C1=CCCCc2ccccc21)c1ccccc1)c1ccccc1)N1CCCC1 169345515 LJOZUDWZJGRUAV-ZIADKAODSA-N 419.568 6.640 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(C)cc2)cc1)C3 195307038 VRRMSKNGCUBGOY-CRIOXPMLSA-N 401.550 5.339 0 1 HKAF C[C@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255206202 DKISDYAXCJJSLZ-LEOZIARBSA-N 404.679 6.441 0 1 HKAF CO[C@@H]1OCC2=CC[C@@H]3[C@@](C)([C@H]21)[C@H](O)C[C@@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@@]31C 261078663 BIJAKZXAJWXIHK-ODXCLLBOSA-N 402.619 5.571 0 1 HKAF O=C(Nc1ccc(OCCN2CCCCC2)cc1)c1cccc(-c2cccc(O)c2)c1 299857969 PFJQIOWJYSSLDU-UHFFFAOYSA-N 416.521 5.176 0 1 HKAF Cc1nn2c(-c3nc4cc(F)c(Cl)cc4[nH]3)c(-c3ccc(F)cc3)nc2s1 473116422 WQZOPHLONXYONH-UHFFFAOYSA-N 401.829 5.241 0 1 HKAF CCOC(=O)[C@@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)-c2ccccc21 586993245 VWWBDZODDUFLKW-GOSISDBHSA-N 421.452 5.022 0 1 HKAF Clc1cnc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2c1 586998764 QMSRKQVXJJSIIZ-VURMDHGXSA-N 400.663 5.804 0 1 HKAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)s1 587013933 DABLHRLQDJFXTA-MRVPVSSYSA-N 423.382 6.130 0 1 HKAF Fc1cnc(Cl)c2[nH]c(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc12 587060288 JXZZESWYEWCLSY-UHFFFAOYSA-N 409.251 6.286 0 1 HKAF Clc1cc(Br)c2[nH]c(-c3coc(-c4ccccc4Cl)n3)nc2c1 587062050 AUDOWSLXARUFHT-UHFFFAOYSA-N 409.070 5.954 0 1 HKAF FC(F)(F)c1ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2c1 587071799 QGHXCJUCDOHGPB-UHFFFAOYSA-N 408.210 6.618 0 1 HKAF Cc1cc(C)c2[nH]c(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)nc2c1 587086876 NLISTVICUKHSDY-HJWRWDBZSA-N 411.336 6.210 0 1 HKAF C[C@H](c1nc2cc(Br)cc(C(=O)O)c2[nH]1)c1ccccc1C(F)(F)F 587097171 FXGNBLRHWNRLQQ-QMMMGPOBSA-N 413.193 5.194 0 1 HKAF Cc1cc(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)c(C)s1 587102017 KSLIOMMEJDUTRC-UHFFFAOYSA-N 413.498 5.727 0 1 HKAF COc1cc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c2cc1F 587122695 WODQTDIMOQVRIP-UHFFFAOYSA-N 423.391 5.708 0 1 HKAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587128126 GRGOJPKIRQSCKT-UHFFFAOYSA-N 407.348 5.613 0 1 HKAF COc1cc2nc(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)[nH]c2cc1Cl 587146048 XDMXGNXXJIEEOF-UHFFFAOYSA-N 401.268 6.660 0 1 HKAF Clc1cc2nc(-c3cc(I)ccc3Cl)[nH]c2c(Cl)n1 587183027 QKRIEWCVAQTCBK-UHFFFAOYSA-N 424.456 5.190 0 1 HKAF C[C@H](c1ccc(Cl)cc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327633 HIWNAUNNWKLUOP-DXHOUVOYSA-N 410.872 6.106 0 1 HKAF CCn1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nc2ccccc21 587343514 UCKAYQBFUXCIKS-RDGATRHJSA-N 416.452 5.175 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCc1cccc(Br)c1)(C(C)(C)C)O2 587375706 FOONGKJVCSQRQZ-JOCHJYFZSA-N 416.359 5.723 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1-c1ccc(C(=O)O)c(Cl)c1)O2 587377803 ZKESFDKQEWIJQB-DEOSSOPVSA-N 421.880 5.476 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1OCC(C)C)O2 587379186 ZWNAJIAJPNRCIF-LJQANCHMSA-N 404.304 5.081 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccc(C)cc4)c4ccccc14)[C@@H](C2)C3=O 587429236 AATCIKKBYSIZLL-IDISGSTGSA-N 409.485 5.495 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc3c1N(C(=O)OC(C)(C)C)CC3)CC2=O 587475867 QOHKJQJGYVKHCZ-NRFANRHFSA-N 423.509 5.349 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCc1ccccc1C)CC2=O 587483128 VHQJKICDDUORLB-RUZDIDTESA-N 402.490 5.939 0 1 HKAF O=C1C[C@@H](c2cccc(OCc3cccc(Cl)c3)c2)Oc2c1ccc1c2CCCC1 587503403 UIQSKIPMOAOHSU-VWLOTQADSA-N 418.920 6.504 0 1 HKAF CCCC[C@H](CC)COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520966 GWSWDJVRMGRUNA-MMTVBGGISA-N 420.593 7.041 0 1 HKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)c1OC(F)F 587554152 HQMNQRALZIHYFE-XMSQKQJNSA-N 412.388 5.313 0 1 HKAF CC[C@H](C)Oc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC 587592248 GDHIVAPEHSXBMU-YBJNYKISSA-N 420.461 5.281 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(O)cc2)s1 587614467 SPVPCYQNLLIQRT-QPPBQGQZSA-N 416.454 5.529 0 1 HKAF COc1ccc2sc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1 587617589 KRPMMNPIBHOALV-NZQKXSOJSA-N 404.443 5.318 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(C(C)(C)C)N1 587702278 OXJSJXCHEASHCZ-ODXCJYRJSA-N 410.758 6.066 0 1 HKAF Cc1ccc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc2c1 587704590 JRWMHZCIRFEQIA-NSPYISDASA-N 419.725 5.722 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2CCC(F)(F)F)N1 587708775 DMPQLBPRZJAWOX-BBATYDOGSA-N 416.256 5.707 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(-c3cccs3)c2)N1 587716672 JPIOSGUNJPMYKV-PRWKNARSSA-N 420.322 6.079 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccc(F)cc3)c2)N1 587735821 QJZAQCWRXRPRFS-MCMMXHMISA-N 414.293 6.018 0 1 HKAF CC(C)c1nn(C(C)(C)C)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587763059 HQGDPZDXTLBZPU-HXPMCKFVSA-N 408.359 5.287 0 1 HKAF CCCOc1cccc(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 587778784 PNZWEFFJODRROL-UHFFFAOYSA-N 402.338 5.980 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c4c(cccc24)CC3)N1 587814021 FKZYHPXZEYLCFV-NPMABZOXSA-N 410.330 5.638 0 1 HKAF CC(C)CSc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587841487 BCZOPKVLIJFHDD-ZUOKHONESA-N 408.380 5.960 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2sc(C(C)(C)C)cc2N)N1 587842434 DVRBKGKRPZCCOX-APBUJDDRSA-N 411.384 5.327 0 1 HKAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587928861 CRTRZVBGNNMNMK-SCLBCKFNSA-N 414.349 6.054 0 1 HKAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(Br)c(F)cc3[nH]2)cc1 587938026 RVXDGJGYZYEFCV-HXUWFJFHSA-N 411.274 5.653 0 1 HKAF CC(C)Oc1cc(-n2c(O)ccc2OCCc2ccccc2)c(Cl)cc1Cl 587942844 CHOWFTZVIAHZOR-UHFFFAOYSA-N 406.309 5.898 0 1 HKAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@](c3ccccc3Cl)(C3CCC3)N12 962664820 KRSZETFSMOUPQU-RPBOFIJWSA-N 420.940 5.031 0 1 HKAF COc1cccc2cc3c(nc12)[C@](c1cccc(Cl)c1)(c1ccccc1C)NCC3 963067788 OJYUKGYJHOGIEA-SANMLTNESA-N 414.936 5.643 0 1 HKAF Cc1ccnc2c1CCN[C@@H]2c1cn(Cc2ccc(F)cc2Cl)c2ccccc12 963072832 OKHXIZWAYFTVLW-XMMPIXPASA-N 405.904 5.421 0 1 HKAF Clc1ccc2c(NCCCn3c(-c4ccccc4)nc4ccccc43)ccnc2c1 1857591342 WHASYJQFXZYSCQ-UHFFFAOYSA-N 412.924 6.407 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 1857626830 UYOSSIFSBNNKRC-PSEHDMIBSA-N 420.678 5.410 0 1 HKAF COc1ccc(-c2nc(Cl)cc(Nc3ccc(OCCN4CCCC4)cc3)n2)cc1 1857767917 JBSXGTOIAIIBJJ-UHFFFAOYSA-N 424.932 5.024 0 1 HKAF CCC[P@](=O)(Oc1ccccc1)[C@H](CC(C)C)NC(=O)OCc1ccccc1 1911573293 NDVFUMZQTGXLKI-PIKZIKFNSA-N 403.459 6.052 0 1 HKAF CCC(CC)C(=O)NC[C@@H]1C=C(C)[C@@H](Cc2nc3ccc(F)cc3[nH]2)C[C@H]1C(C)C 2356286653 KDZDAAUYMMCLCJ-DYXWJJEUSA-N 413.581 5.652 0 1 HKAF CC1(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]5C(=O)CC[C@@]5(C)CC[C@@]43C)[C@@]2(C)CC[C@H]1O 2356464489 LSUIHIUUMWDFSZ-IZBGXULASA-N 400.647 6.402 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC=C[C@@H]2CC=C3C[C@H](O)CC[C@]3(C)[C@@H]2CC[C@@H]1C)C(C)C 2356628213 KWSDAMSVPQVEBE-YQQWBICUSA-N 414.718 8.191 0 1 HKAF C[C@@H]1CCC([C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@H](O)[C@]5(C)[C@H]4CC[C@@]32C)=NC1 2356655832 MHSZHQZVWMLGKH-DPKNELPQSA-N 413.646 5.404 0 1 HKAF CC(C)CC[C@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356675545 ZSNZJJYKGGJXRT-FRGNILMWSA-N 418.662 5.330 0 1 HKAF CC(C)=CCc1c2c(cc3c1O[C@@H]1Oc4cc(O)ccc4[C@@H]1C3=O)C=CC(C)(C)O2 2356725809 UMUPYTNUCKMVFH-YKSBVNFPSA-N 404.462 5.163 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1cnn(-c3ccccc3)c1N2 6482552 FJUADJYJHHYVLD-MUJSDITESA-N 403.570 5.123 0 1 HKAF O=C1O[C@H](c2ccc(F)cc2)[C@@](Cn2ccnc2)(c2ccc(Cl)cc2Cl)O1 26008813 KGIQUJZSBPBFGH-IEBWSBKVSA-N 407.228 5.133 0 1 HKAF CSc1ccc(-c2c[nH]cc2[C@@H](c2ccc(Cl)cc2Cl)n2ccnc2)cc1 26643200 FXVBCYIZDNNSCJ-OAQYLSRUSA-N 414.361 6.545 0 1 HKAF CCCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C)CC1CC1 27320393 BANKKVFNRRGHCP-UHFFFAOYSA-N 418.821 6.777 0 1 HKAF CCOC(=O)[C@H](Cc1ccc(Cl)cc1)Nc1nc2ccc(C(C)C)cc2s1 27999855 SUOPRLKGYNHYSE-SFHVURJKSA-N 402.947 5.659 0 1 HKAF CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(ccc3ncccc23)C1 28821566 PVLHJBACUBNDAT-NRFANRHFSA-N 417.528 5.504 0 1 HKAF Cc1cc(SCc2cc(-c3ccc(C(F)(F)F)cc3)on2)ccc1OCC(=O)O 29058615 VUAOPQZQOPZBCT-UHFFFAOYSA-N 423.412 5.425 0 1 HKAF Cc1ccc(NC(=O)c2cc3ccc(O)cc3s2)c(C(=O)Nc2ccc(F)cc2)c1 29482538 WOGZNGRQSXODCJ-UHFFFAOYSA-N 420.465 5.559 0 1 HKAF CC1(C)CC[C@]2(C)CC=C3[C@@](C)(CC[C@H]4[C@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@]34C)[C@H]2C1 38839304 DBCAVZSSFGIHQZ-YRTRCWKQSA-N 424.713 8.377 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4ccc(CNC[C@H]5CCCO5)cc4)s3)nc12 45192143 YQQSWXWMCGASAP-LJQANCHMSA-N 403.551 5.535 0 1 HKAF C[C@@H](Cc1ccc(Oc2ccccc2)cc1)NC[C@@H](O)c1cccc(C(F)(F)F)c1 45227053 VEMKGZQACSFDPC-GAJHUEQPSA-N 415.455 5.752 0 1 HKAF O=C(Nc1ccncc1)C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)c2ccccc12 45389205 KFHIVYQEMWRQBF-UHFFFAOYSA-N 410.260 5.154 0 1 HKAF Fc1cc(-c2ccccc2C(F)(F)F)cc2[nH]c(C3=NOC4(CCCCC4)C3)nc12 66113416 HCSUJSYTOOHVBD-UHFFFAOYSA-N 417.406 6.215 0 1 HKAF COc1ccccc1CNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C 72110377 APBWYVCKCNZYRZ-SLZPJANQSA-N 419.609 6.843 0 1 HKAF Cc1ccccc1-c1nc(NC2CCCCC2)ncc1-c1nc2ccccc2s1 82177175 MNPZICFWWJIIJX-UHFFFAOYSA-N 400.551 6.473 0 1 HKAF COc1cc(Cn2c(-c3ccc(F)cc3)nc3cc(C)ccc32)cc(OC)c1OC 95554025 NBKDZDZANDPDAK-UHFFFAOYSA-N 406.457 5.225 0 1 HKAF C[C@H]1SC2(CCC(C(C)(C)C)CC2)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O 95563721 MSHHJNRKQARACG-BSIZJTRBSA-N 418.647 5.131 0 1 HKAF COC(=O)c1cc(NC(=O)NCCC(c2ccccc2)c2ccccc2)ccc1Cl 95603873 SANVEQFWSJBIOP-UHFFFAOYSA-N 422.912 5.470 0 1 HKAF CC(C)(C)c1ccc(O)c([C@@]2(c3ccccc3)C(=O)Nc3ccc4ncsc4c32)c1 96937510 FBVPKDZFMCLROJ-RUZDIDTESA-N 414.530 5.586 0 1 HKAF Cc1ncc(CNc2ccc(F)c(Cl)c2)n1Cc1ccc(-c2ccccc2)cc1N 96940275 ABPNGLDAIRCTPT-UHFFFAOYSA-N 420.919 5.894 0 1 HKAF CC[C@@H](C)CC[C@H](CC[C@@H](C)CCC[C@@H](C)CCCC(C)C)[C@@H](C)CCCC(C)C 102191844 ZYUQNRLZGGWDML-ABVIYVDXSA-N 422.826 10.940 0 1 HKAF CCCCC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@@H]1c1ccccc1OC 103921853 PILZLZIIFZGKBE-VWLOTQADSA-N 404.510 6.042 0 1 HKAF Cc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4c[nH]c5ccccc45)C3=C(O)C2)cc1 104050287 LEVLZFUCNVARIN-HMILPKGGSA-N 419.528 7.105 0 1 HKAF CCC[C@@H](c1nnn[nH]1)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1)CCCC3 113190224 FZEFPXNBYPTJOY-GOSISDBHSA-N 417.582 5.904 0 1 HKAF CC[C@H](Nc1ccc(C)c([C@H](C)N2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 118395087 HNPHZIORYCGVDZ-AOMKIAJQSA-N 400.950 5.597 0 1 HKAF Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc(Cl)c(F)c2)n1 205824579 HSFKPEDFHKVSKM-CQSZACIVSA-N 421.907 5.818 0 1 HKAF CC(C)N(Cc1[nH]nc2ncccc12)C(=O)Nc1ccc(SC(F)(F)F)cc1 205978955 VGKVDYWUTPIEQT-UHFFFAOYSA-N 409.437 5.012 0 1 HKAF CCOc1cccc(F)c1[C@H]1C[C@@H](C)C(=O)N1Cc1ccc2oc3ccccc3c2c1 215903064 XJZTXMOXMDLNSA-IIBYNOLFSA-N 417.480 6.234 0 1 HKAF CC(C)(C)c1[nH]nc2c1[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O 224097733 NFPQHOKNWHJKMC-GOSISDBHSA-N 418.299 5.903 0 1 HKAF C[C@H](CCC(=O)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C 255259374 PKCLZUICYHOWNR-OAGAAFAHSA-N 414.630 6.496 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@@H]4[C@H]3CC[C@@]21C)C(C)C 255274830 WBTPOQYEYUEYSR-JAOQKASMSA-N 400.691 7.491 0 1 HKAF COc1cc(OC)c2c(c1)[C@H](CCCCCC[C@@H]1CC[C@]3(CC[C@H](C)O3)O1)OC2=O 257481217 MDVWGBKYBVEXHU-NPGKMWDHSA-N 418.530 5.330 0 1 HKAF O=C(Nc1cccc(Br)c1)c1cccc(-c2ccc3ccccc3c2)c1 299821227 BWLQAJLNVHLVCM-UHFFFAOYSA-N 402.291 6.522 0 1 HKAF COc1cc(C(=O)c2c(-c3ccccc3)[nH]c3cc(Cl)ccc23)cc(OC)c1OC 473102980 MUPIAELUOUVSLP-UHFFFAOYSA-N 421.880 5.745 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(Cl)c5ccccc5c4O)nc13)-c1ccccc1C2=O 586993961 SJPBLSQZSAKZLG-UHFFFAOYSA-N 421.883 6.934 0 1 HKAF Fc1c(F)c(F)c2[nH]c(COc3ccccc3C3SCCS3)nc2c1F 587042318 RWSNSJRRKKZJEJ-UHFFFAOYSA-N 400.422 5.177 0 1 HKAF COc1cc(-c2nc3cncc(Br)c3[nH]2)cc(Cl)c1OCC(C)C 587045066 ZVEZFLSKKWAHLQ-UHFFFAOYSA-N 410.699 5.084 0 1 HKAF FC(F)(F)C(F)(F)c1cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2cn1 587068297 PIWRGDKDXKHSIC-UHFFFAOYSA-N 413.737 5.323 0 1 HKAF Fc1cc(Br)cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 587090885 BCDGTXXPNHIAJB-UHFFFAOYSA-N 406.202 5.181 0 1 HKAF COc1ccc(-c2nc3c(C)ccc4c3c(c2[C@H](C)C(=O)O)-c2ccccc2C4=O)cc1 587097645 NCKXLWOQIFHIRV-HNNXBMFYSA-N 423.468 5.618 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c(Cc3ccccc3C(F)(F)F)nc2c1 587107863 WVZMNGWMMCTNSH-UHFFFAOYSA-N 423.154 5.954 0 1 HKAF COc1cc2nc(-c3ccc(-c4ccc(C(=O)O)c(F)c4)c(C)c3)[nH]c2cc1OC 587144219 FZSNWCBQQUGBLP-UHFFFAOYSA-N 406.413 5.060 0 1 HKAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587163775 SQQOBPKCBRTHDK-UHFFFAOYSA-N 424.500 6.751 0 1 HKAF Cc1ccc([C@@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587356853 RTHIMZPZBVVAAQ-AHWVRZQESA-N 414.432 5.735 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2[nH]c4ccccc4c2CC3)c1 587363169 OJNZHIAQKPJZJE-UHFFFAOYSA-N 416.480 6.904 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OC(=O)c3ccccc3Cl)c1)O2 587376465 DBNOHKQCXBXNKY-OAQYLSRUSA-N 407.853 5.156 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)n(-c3ccccc3)c3ccc(O)cc13)O2 587388813 BEFBLAWWDMIGTR-SANMLTNESA-N 412.489 5.416 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(OC(C)C)c(OC)c1)CC2=O 587462410 ZFKOEVGTKVIPEE-IBGZPJMESA-N 404.890 5.500 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=O)N(c2ccccc2)c2ccccc21 587484876 GXWWOXDTYOKVEO-AREMUKBSSA-N 413.473 5.274 0 1 HKAF C[C@]1(c2ccc(I)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587506981 PNJLDBAZXKOIRX-HXUWFJFHSA-N 418.274 5.051 0 1 HKAF CC[C@@H](C(=O)O)n1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587516754 WERFWOADBPSGOI-HFZDXXHNSA-N 417.505 5.436 0 1 HKAF O=C1C[C@@H](c2nc(-c3ccc4c(c3)OCCO4)cs2)Oc2c1ccc1c2CCCC1 587535772 OIJQATBIIZNSCZ-QFIPXVFZSA-N 419.502 5.167 0 1 HKAF C[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541982 GZXUSPAMCMMYSA-NQIIRXRSSA-N 401.245 5.576 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(Cl)cc1Cl 587557170 MFZMSQKXPNAPML-PXNSSMCTSA-N 405.208 5.541 0 1 HKAF CC(C)C[C@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599929 IZXUYBBWKBBMPS-OZXSUGGESA-N 402.490 5.772 0 1 HKAF COc1ccc([C@@]2(CCC(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601908 VOBNRABDNDRXPF-ZEQKJWHPSA-N 418.489 5.694 0 1 HKAF CCCCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587650564 ZIZSLYNRDLIOKE-UHFFFAOYSA-N 411.445 5.480 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCNc3ccc(Cl)cc32)N1 587692198 AWPSCJHBDHRSAP-NSPYISDASA-N 409.730 5.225 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2cccc(C(F)(F)F)c2)N1 587716391 VHHMKILNEPJCTA-ADLMAVQZSA-N 416.256 5.815 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(Cl)c(Cl)c2)N1 587721728 QIMRGVMNFXBKMC-HYORBCNSSA-N 407.085 5.658 0 1 HKAF CC(C)[C@@]1(c2ccc(Cl)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587726052 TZLLDPWAAVNWPA-WLRWDXFRSA-N 414.721 5.815 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2Br)N1 587727738 PMBSGBUQEVCVDB-BCTVWOGZSA-N 417.091 5.113 0 1 HKAF CC(C)n1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587758538 QNPBNKNDZIBZME-LRTDBIEQSA-N 401.323 5.747 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OC(C)(C)C)cc2)N1 587795649 RZAXNVXSJPPPBB-LRTDBIEQSA-N 406.339 5.563 0 1 HKAF COc1ccc([C@H]2C[C@@H]2[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587804265 AJRYTSFYKYVDKB-OFPYPYAMSA-N 404.323 5.150 0 1 HKAF COc1ccc(C(C)(C)C)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587809270 SEIKKPAJDCUPHZ-YUNKPMOVSA-N 406.339 5.518 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(C(C)(C)C)N1 587813558 PBMIXEPSUIASPN-IVZQSRNASA-N 404.367 5.997 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccsc3)cs2)N1 587850292 YIXPSICFAMDPCQ-YPMLDQLKSA-N 408.361 6.002 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ccccc3)n2)N1 587853698 QZDPIVJHFVLBBT-ZMZPIMSZSA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Cl)cc1F 587854511 GBXRVAJGDQDARB-UHFFFAOYSA-N 413.663 5.737 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2sccc2s1 587863781 ICQLGOKLLJSAMH-UHFFFAOYSA-N 408.426 5.542 0 1 HKAF COc1cccc([C@H](C)Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 587932285 RWBFCGTUVPGSSI-SNVBAGLBSA-N 413.237 5.699 0 1 HKAF C[C@@H](CCNCC12CC3CC(CC(C3)C1)C2)Nc1nc2cc(Cl)ccc2cc1F 653708736 KLCKWVJSRMUFFA-KSKOPSKJSA-N 415.984 6.024 0 1 HKAF CCCCOc1ccc(Cl)c([C@@H]2c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c1F 962639160 VAUYJKAKKQAFEM-FATZIPQQSA-N 421.940 5.641 0 1 HKAF COc1cccc2cc3c(nc12)[C@@](C)(c1ccc(SCC(F)(F)F)cc1)NCC3 963046920 LVIVXVSLUHRTLD-OAQYLSRUSA-N 418.484 5.307 0 1 HKAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2C1CCC(C)CC1 963863572 ZKOJIIFILRNZPU-YKEBJSDKSA-N 401.547 5.499 0 1 HKAF COc1ccccc1[C@H]1c2ccc3cccnc3c2Oc2nc3c(c(N)c21)CCCC3 1772616045 NTXYPVKZEBUMKH-NRFANRHFSA-N 409.489 5.385 0 1 HKAF O=C(NCC1CC1)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772621729 RPIXEZIYTKXPMW-ACCUITESSA-N 409.493 5.012 0 1 HKAF O=C(Nc1cccc(Nc2ccc3c(/C=C/c4ccccc4)[nH]nc3c2)c1)[C@H]1CCOC1 1772634064 KHOPYRWYQSTWNO-DLENHJPASA-N 424.504 5.452 0 1 HKAF COc1c(-c2cccc([C@@H](CC(=O)O)c3nccs3)c2)cccc1C(F)(F)F 1772638978 RCEHYNLGAASVFK-OAHLLOKOSA-N 407.413 5.444 0 1 HKAF O=C1N[C@@](c2ccsc2)(c2ccccn2)CC(O)=C1Sc1ccccc1Cl 1857558392 WFOJPKOJXMWJDQ-FQEVSTJZSA-N 414.939 5.122 0 1 HKAF CC(C)=CCC(Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1O)CC2=O)=C(C)C 1857580589 NYBURBALTXHRCF-QHCPKHFHSA-N 424.493 5.451 0 1 HKAF CCOC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356433472 KJDSVVPFPBNSOM-SDTHFDBLSA-N 402.619 5.906 0 1 HKAF C[C@@H]1[C@H]2[C@@H](c3cc(-c4cc(=O)c5c(O)cc(O)cc5o4)c(O)cc3OC2(C)C)C1(C)C 2356478871 WOEBDCLYNHDBHY-SZGOTMDKSA-N 422.477 5.124 0 1 HKAF CC1(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5[C@@H](O)CC[C@@]5(C)CC[C@@]43C)[C@@]2(C)CC[C@H]1O 2356555548 ZAAKSNJFLXCMKA-NPXNKYJCSA-N 402.663 6.193 0 1 HKAF CC(=O)O[C@@H]1CC[C@]2(C)C(=CCC3=C2CC[C@]2(C)[C@@H]3CC[C@@H]2[C@@H](C)CCC=C(C)C)C1 2356614740 GCWLDSVUECWZIA-MVLUNEOGSA-N 424.669 7.944 0 1 HKAF Cc1ccc(N2C(=O)N3[C@H]4c5ccccc5OC[C@@H]4[C@@H](c4ccccc4)[C@@]3(C)C2=O)cc1 15935731 OUMKGSCVWXDKCD-LLUKFRMWSA-N 424.500 5.070 0 3 HKAF CCOc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccccc1 773718 QPAWHQFHRUTEKF-UHFFFAOYSA-N 416.452 5.476 0 1 HKAF CC(C)(C)c1ccc(CNC(=O)c2c(-c3ccccc3F)noc2-c2ccoc2)cc1 775178 NUWWSXZYIFJYAD-UHFFFAOYSA-N 418.468 5.968 0 1 HKAF CC(C)(C)C(=O)Nc1c(OCCCCCCc2ccccc2)ccc2c1OCCC2=O 1540191 QAMCEORSKKQVMR-UHFFFAOYSA-N 423.553 5.818 0 1 HKAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCc1ccc(OCC)cc1 4274703 WJBOEGPDLZEEAW-PKTZIBPZSA-N 412.530 5.051 0 1 HKAF Cc1ccccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(F)c1 13679733 WIAHHWDLCXFARH-UHFFFAOYSA-N 415.823 5.175 0 1 HKAF CC(C)=CCC[C@@H](C)C1=C(O)[C@@](CCc2ccccc2)(C(=O)NC(C)(C)C)OC1=O 26837678 JHSYOWGHTHLLSW-CJAUYULYSA-N 413.558 5.024 0 1 HKAF CC(C)=CCC/C(C)=C/c1ccc(COC[P@](=O)(O)CP(=O)(O)O)c(C)c1 27657286 IJHGPCRJGZNUDP-MHWRWJLKSA-N 416.391 5.024 0 1 HKAF O=[S@](CCC(F)(F)C(F)(F)F)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 28218160 QKDVIKKGHOTUOW-NDEPHWFRSA-N 414.399 5.439 0 1 HKAF CN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)c1ccc(C(F)(F)F)cc1 35190774 QFFWAMFTSMVVRC-UHFFFAOYSA-N 421.850 5.481 0 1 HKAF CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)[C@@H](COC)c1ccccc1 38149607 RTQPHBRRDAKJST-KRWDZBQOSA-N 421.381 5.213 0 1 HKAF Fc1ccc2nc(-c3cccc(-c4cccc(CNC[C@H]5CCCO5)c4)c3)[nH]c2c1 45301571 UIDRMBRJMNBGCT-JOCHJYFZSA-N 401.485 5.305 0 1 HKAF CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC(C)C 48999193 VBBXGUJQESTVHE-UHFFFAOYSA-N 409.530 5.090 0 1 HKAF in-vitro Sc1nnc(COc2ccc(Cl)cc2)n1Cc1ccc(-c2ccccc2)cc1 64503476 BBRLHIBOCRETDF-UHFFFAOYSA-N 407.926 5.515 0 1 HKAF CCCC(=O)Oc1cc2c(c(OC(=O)CCC)c1)C(=O)O[C@H](C)CCCCCCC2 66111981 WJWOXJWCSRYWCD-QGZVFWFLSA-N 418.530 5.540 0 1 HKAF CCCn1c(-c2cnc(Nc3ccc(C)nc3)c(Cl)c2)nc2cc(Cl)ccc21 66112655 BDBFKUUNGAKBKD-UHFFFAOYSA-N 412.324 6.262 0 1 HKAF COc1cc(O)c(C/C=C(\C)CCC=C(C)C)c2c1[C@@H]1Oc3cc(O)ccc3[C@@H]1CO2 72127798 KQOZBCGTGONGDN-UJVMDJEKSA-N 422.521 5.951 0 1 HKAF C[C@@H](O)c1ccc(-c2ccc(Cl)c(C(=O)NCCc3ccccc3Cl)c2)nc1 72179579 VNPDSQWOHMHZND-CQSZACIVSA-N 415.320 5.081 0 1 HKAF Cc1ccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccccc3F)n2)cc1 82176178 JXUCGRWIUROBBC-UHFFFAOYSA-N 402.473 5.518 0 1 HKAF Cc1ccccc1-c1nc(NCCc2ccc(F)cc2)ncc1-c1nc(C)c(C)o1 82221546 VPVLEKMJCXZORP-UHFFFAOYSA-N 402.473 5.518 0 1 HKAF O=C(CSc1nncnc1-c1cccc2ccccc12)Nc1ccccc1Cl 95563435 ONWOSFDQBRJFQR-UHFFFAOYSA-N 406.898 5.076 0 1 HKAF O=C1CSC(N2N=C(c3ccc(Cl)c(Cl)c3)C[C@H]2c2ccc(Cl)cc2)=N1 95577390 RHSAKZRCPXWFSW-INIZCTEOSA-N 424.740 5.427 0 1 HKAF COc1cc(Sc2c(-c3ccc(F)cc3)[nH]c3ccccc23)cc(OC)c1OC 95593831 MOVKHMPJGFFCMO-UHFFFAOYSA-N 409.482 6.151 0 1 HKAF C[C@@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O 96086572 VJABJEQGFJMMDO-SVXMJBLUSA-N 416.646 6.742 0 1 HKAF in-vitro c1ccc(CCN2[C@@H]3CC[C@@H]2CC(OC2c4ccccc4CCc4ccccc42)C3)cc1 101957806 KEGNCHJKYCGHJN-CLJLJLNGSA-N 423.600 6.129 0 1 HKAF COc1ccc([C@@H](Nc2ccc(OC)c(OC)c2)c2c(C)[nH]c3ccccc23)cc1 103247886 CBUUIRGCKAEAJC-RUZDIDTESA-N 402.494 5.704 0 1 HKAF CCOc1ccccc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OCCSCC 103540637 PHJCOGXCYTUSGW-OAQYLSRUSA-N 415.555 5.190 0 1 HKAF COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(O)=C2[C@@H]1c1cccc(F)c1 104700849 LZRJSZWZRDXOLA-JOCHJYFZSA-N 406.457 5.281 0 1 HKAF CC(C)(O)CCc1c(O)c2c(c3oc(-c4cc(O)cc(O)c4)cc13)C=CC(C)(C)O2 142376884 PCSWPRSQCSNWFL-UHFFFAOYSA-N 410.466 5.104 0 1 HKAF CCCCN(CCCC)C[C@H](O)c1cnc2c(-c3ccccc3)cccc2c1Cl 169338265 QEEFYFLUOKXILH-QHCPKHFHSA-N 410.989 6.491 0 1 HKAF C[C@@H](CCCc1ccc(F)cc1)[C@H](C)c1cc(O)c2c3c(c(=O)oc2c1)CC[C@@H](C)C3 221709143 OBHCTNGAKXZLER-SQNIBIBYSA-N 422.540 6.525 0 1 HKAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]([C@]3(C)CCC(=O)O3)CC[C@]21C 255221076 JHZLTLJQHVVBKP-WMXXFJTNSA-N 400.647 7.157 0 1 HKAF CC[C@H](/C=C\[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 257505605 OQMZNAMGEHIHNN-AYXRRUJLSA-N 410.686 7.721 0 1 HKAF endogenous,in-man Cc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1 299837638 OVVLDNUJGJJFNW-UHFFFAOYSA-N 400.538 6.116 0 1 HKAF O=[S@@](Cc1nc2cccc(C(F)(F)F)c2[nH]1)C(c1ccccc1)c1ccccc1 586961884 YROSZPVRXUJKHY-LJAQVGFWSA-N 414.452 5.620 0 1 HKAF Cc1ccc(OC(F)F)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586985974 IMSZINPPOSRCKG-UHFFFAOYSA-N 403.384 5.729 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(Br)ccc1CC3 587102061 OGWXWKHGLVSQKC-UHFFFAOYSA-N 412.286 5.974 0 1 HKAF Cc1nc(O)c(Br)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587102503 VXLPIWJSWSVSNT-UHFFFAOYSA-N 417.262 5.285 0 1 HKAF Cc1cc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144733 OOBAEUYBLMWPRZ-UHFFFAOYSA-N 415.346 5.456 0 1 HKAF Cc1ccc(/C=C\c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1F 587146329 IOKHMSPDGNHCAH-PLNGDYQASA-N 415.184 5.842 0 1 HKAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587200810 ACLQSJPEQFESMO-UHFFFAOYSA-N 403.420 5.302 0 1 HKAF O=C1c2ccccc2-c2c(Cc3ccccc3)c(-c3ccccc3O)nc3cccc1c23 587207616 TWXMZLRJVQTHIZ-UHFFFAOYSA-N 413.476 6.410 0 1 HKAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc4c(c3[nH]2)CCCC4)c(C2CC2)n1 587231944 ITARQUUQRUGUCU-UHFFFAOYSA-N 418.541 5.406 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCNc3cc(Cl)ccc32)[C@H]1c1ccc(F)cc1 587327537 GYPBLRSBTARTPI-LADGPHEKSA-N 423.871 5.645 0 1 HKAF COC(=O)CCCC[C@H](C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346950 CTNWYWDRRYKARF-AMOXOZGRSA-N 414.473 5.018 0 1 HKAF COc1cccc(-c2cc(-c3c(F)ccc(F)c3F)nc3c2oc2ccccc23)c1 587361028 UVPVPJPMNFVNFV-UHFFFAOYSA-N 405.375 6.741 0 1 HKAF CCCC[C@H](CC)COc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441121 JCAULZWGPJMRFL-ZYYUNJBMSA-N 408.538 5.953 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccc(Cl)cc1Cl)CC2=O 587459687 CSVUUJPAYOOILR-NELJVSICSA-N 420.336 5.588 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-c3ccc(Cl)cc3)c1)CC2=O 587463861 ZIEBGTUOQGWMOG-VWLOTQADSA-N 406.909 6.546 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)c1ccccc1n3CC)CC2=O 587474996 JMNOADYLJYKCRK-HHHXNRCGSA-N 413.517 6.353 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(OCC)cc(OCC)cc1OCC)CC2=O 587480285 OLPNNYHZRNGURN-QFIPXVFZSA-N 414.498 5.247 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCN3CCC[C@@H](C)C3)cc1)CC2=O 587481085 XTEBFJXWYHYWTI-CJAUYULYSA-N 423.553 5.162 0 1 HKAF Nc1ccc2c(c1)OC(c1ccccc1)=C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587511654 RCCCBAQGHUWKBB-HHHXNRCGSA-N 409.485 5.442 0 1 HKAF CC(C)CC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544056 DHVOJGMXBKMIPK-RCZVLFRGSA-N 422.908 6.339 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ncc2ccccc12 587552089 NKXJJTZWKORSQK-DENIHFKCSA-N 403.821 5.297 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2c(F)cccc2F)o1 587559794 YZOCHHZJBJGZMX-XUZZJYLKSA-N 420.367 5.633 0 1 HKAF Cc1ccccc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587600903 DALPCRSOKVOMBV-SHQCIBLASA-N 408.453 6.071 0 1 HKAF CC(C)c1ccc2c(c1)[C@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613779 YZFIZUAVUNZPHG-DHLKQENFSA-N 402.446 5.155 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2ccsc2)n1 587618077 MMOQHFAGFYRCLV-OFNKIYASSA-N 401.443 5.219 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2c(Cl)cccc2Cl)N1 587696480 ULLHWMYVDUULLY-XTZNXHDOSA-N 417.149 5.887 0 1 HKAF CC(C)c1nn(C(C)(C)C)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587763058 HQGDPZDXTLBZPU-CWTRNNRKSA-N 408.359 5.287 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C3CC3)oc3ccc(O)cc23)N1 587826629 FVPDDHLTYLKVFE-SBKAZYGRSA-N 416.290 5.541 0 1 HKAF CC[C@]1(c2ccc3c(c2)CCCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 587834014 JQWLKZJSLVMCKT-YEJXKQKISA-N 404.323 5.101 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cs2)N1 587845442 RCMYEJKBXZHVJF-VXJOIVPMSA-N 419.157 5.210 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1nccs1 587852565 HHPOYTXYHOBMEM-YPMLDQLKSA-N 420.351 5.076 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccnc2cc(Cl)ccc12 587868537 NZVSYCQLNFQGDV-UHFFFAOYSA-N 404.779 5.163 0 1 HKAF O=C1[C@@H](CN2CCC(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1 653702257 GSIYIELKTQIWKO-AREMUKBSSA-N 423.600 5.907 0 1 HKAF c1ccc(CC2CCN(C[C@@H]3COC(c4ccccc4)(c4ccccc4)O3)CC2)cc1 653710303 RARIHZNXYDKHDG-HHHXNRCGSA-N 413.561 5.258 0 1 HKAF COc1cccc([C@H]2c3ccsc3CCN2Cc2cccn2C)c1C(F)(F)F 962375038 QZEMYYDKEXRPTQ-HXUWFJFHSA-N 406.473 5.262 0 1 HKAF COc1cc2c(cc1OC)[C@@](c1cccc(C)n1)(c1c(C)cccc1C)N(C)[C@@H](C)C2 962630634 NPWXXYLQUCVZGS-CCLHPLFOSA-N 416.565 5.192 0 1 HKAF COc1cc2c(cc1OC)[C@](c1ccccc1Cl)(c1ncccc1C)N(C)[C@@H](C)C2 962635176 RBHPEJFPSFSIMH-SSOJOUAXSA-N 422.956 5.229 0 1 HKAF Cc1ccc(CC[C@]2(c3ccccc3C)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1C 962896239 AXNZCBOPTLXTBH-RPLLCQBOSA-N 417.524 5.226 0 1 HKAF Cc1ccc([C@@]2(c3cccc(Br)c3)NCCc3c2sc(C)c3C)cc1 963016133 XMLVRJWVNQRHIF-QFIPXVFZSA-N 412.396 5.873 0 1 HKAF FC1(F)Oc2cccc([C@@H]3NCCc4c(Cl)cc(Cl)cc43)c2OC1(F)F 963109018 OROSLYFPELJFNC-AWEZNQCLSA-N 408.178 5.185 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCC(=O)OCC)c1ccccc1OCC 963225529 FEAMLISRMGSJGN-FQRUVTKNSA-N 409.570 5.329 0 1 HKAF C[C@H](c1ccccc1)c1cc(=O)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2[nH]1 1857575856 AJHZDTVNCDDNPL-GFCCVEGCSA-N 417.818 5.514 0 1 HKAF CCN(Cc1ccccc1)C(=O)Nc1c(-c2ccc(Cl)cc2)csc1C(=O)O 1857589923 MRGUFVUZVFDQTR-UHFFFAOYSA-N 414.914 5.821 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1ccc2nc(=N)[nH]cc2c1 1857631415 AZKROHLZVCIHSX-HQKQBNOYSA-N 415.581 5.359 0 1 HKAF CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(CNC(=O)c3ccncc3)[C@@H]1CC2 1857774462 PBPXNFPTOOALJL-AYRHNUGRSA-N 406.570 5.351 0 1 HKAF C[C@@H]1CC=C[C@]2(CCC[C@@H]3[C@@H](Cc4cc(O)cc(Cc5ccccc5)c4)CCC[C@H]32)C1 2356372221 AFAPWEJYWCQFHU-OFSOZNCMSA-N 414.633 7.714 0 1 HKAF CC(C)=C[C@@H](C)CC=CCc1c(C)cc2c(c1O)C(=O)[C@@H](c1ccc(O)cc1O)CO2 2356519492 DTOHKGTXVWEZIA-HRAATJIYSA-N 422.521 5.562 0 1 HKAF CC(C)=C(C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356595442 GYDFVHCETABLSQ-SITMHDBTSA-N 414.718 8.025 0 1 HKAF CC(=CCCC(=CC[C@@H]1OC(=O)C[C@H]1CO)CO)CCC1=C(C)CCCC1(C)C 2356603097 XYSUNNIWINLBIX-GMAHTHKFSA-N 404.591 5.253 0 1 HKAF CCCCC[C@@H]1C=C[C@H](CCCCC[C@@H](C(=O)O)[C@H](O)CCC2(O)CCCC2)CC1 2356773320 WPPKZMUCJIDWFE-UEQSERJNSA-N 422.650 6.247 0 1 HKAF CC(=O)C[C@H](C)COCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]12C 2356784692 PSCPTEHCJTYRLJ-AVJMZORISA-N 404.635 6.114 0 1 HKAF CC(=C[C@@H](C)CCC(=CCl)Cc1ccccc1)C(=O)N[C@H](C)c1nccs1 2356799767 UVEMTFXECCTWBX-FUHWJXTLSA-N 402.991 6.048 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)CC3=CC[C@]12O 2356802365 SDGAIHVWQSMGOY-FLTQOEKKSA-N 416.690 6.750 0 1 HKAF O=C(c1cc(Cl)cc(Cl)c1)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 199407960 WUNYTEMZGSXOQA-UTKZUKDTSA-N 403.353 5.120 0 3 HKAF CC(C)c1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCC2CCCCC2)cc1 2478197 WXJZJESZKSCKPV-UHFFFAOYSA-N 420.528 6.581 0 1 HKAF CC/C(=C(\c1ccccc1)c1ccc(/C=C/C(=O)N2CCOCC2)cc1)c1ccccc1 13736701 ASUAZMBTQQKCFD-VXYSUUTNSA-N 423.556 5.928 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1ccc(Cl)cc1)Oc1cc(F)ccc1-3 13777149 FHSXWSTVPUQKCJ-XMMPIXPASA-N 405.900 7.235 0 1 HKAF CC[C@@H](C)CCCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O 14591985 LLEYTKLOPIVSOG-LTUATLCRSA-N 406.695 9.251 0 1 HKAF CC1(C)C(Br)=C[C@@H]2O[C@]2(C)[C@]12CC[C@](C)(Cl)[C@@H](Br)C2 14966251 LCVJEYNJCXTRIQ-SIGLWIIPSA-N 412.593 5.394 0 1 HKAF biogenic CC(C)[S@@](=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 26006938 CPMYQFUFQVVJNP-OZXMLDBDSA-N 420.703 6.110 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@@H](C)C=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 27304275 FAGYSQSLIMHWHR-ARRYJFSPSA-N 413.690 7.300 0 1 HKAF Cc1ccc(C(=O)Nc2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)cc1 28639559 GBBQBUWBDUTFCA-UHFFFAOYSA-N 421.836 5.085 0 1 HKAF COc1cccc2c1-c1ccc3c(c1[C@H]([C@H]1C=C(C)CCC1)O2)C(C)=CC(C)(C)N3 29415490 ZOUVODOOOFQPOC-DWXRJYCRSA-N 401.550 7.150 0 1 HKAF CC(C)=CCC[C@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C 33830170 PHXROWPRWPUNFG-SCTPFHJSSA-N 424.713 8.089 0 1 HKAF O=C(NN1C(=S)Nc2sc3c(c2[C@H]1c1ccccc1)CCCC3)c1ccccc1 33900429 OJXBMBQOYCIZIO-HXUWFJFHSA-N 419.575 5.074 0 1 HKAF Cc1ccc2c(C(=O)O)c(O)c(-c3ccc(-c4ccc(N(C)C)cc4)cc3)nc2c1C 35086946 SWGGZTDLRTWGJY-UHFFFAOYSA-N 412.489 5.655 0 1 HKAF CC(=O)O[C@@H]1CC2(N3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 38308723 HMMXRBXGPAQIDO-RVMAVILXSA-N 403.566 5.524 0 1 HKAF COc1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(Br)cc32)c1 40893906 TVXILMSSFSASBV-INIZCTEOSA-N 421.360 5.047 0 1 HKAF CN1CC[C@H]2Cn3c(c(C4CCCCC4)c4ccc(C(=O)O)cc43)-c3ccccc3[C@H]21 40894722 IRLXIATXIBMCBD-DFBJGRDBSA-N 414.549 6.061 0 1 HKAF COc1ccc2c(c1)[C@H](C)N(c1nc(C(C)(C)c3ccc(F)cc3)nc(C)c1C)CC2 64548809 ZWWUDXJMSXQJHZ-SFHVURJKSA-N 419.544 5.691 0 1 HKAF Cc1ccccc1CSc1nnc(-c2ccc3c(c2)OCCO3)n1-c1ccccc1 72116987 KVPHVIQRWBEKNI-UHFFFAOYSA-N 415.518 5.306 0 1 HKAF CC1=Nc2ccc(Cl)cc2[C@@H](c2ccc(Cl)cc2)N1CCN1CCCCC1 72123134 VJOLHYVXOROYEL-JOCHJYFZSA-N 402.369 5.934 0 1 HKAF Cc1ccc(CNc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccccc3F)n2)o1 82151259 ZLRVFXKKKTXPCR-UHFFFAOYSA-N 422.504 5.201 0 1 HKAF Cc1cc(-c2ccccc2)nn1C(=O)COc1ccc(-c2cc3ccccc3[nH]2)cc1 82152150 QJWYKXBRBZNBDE-UHFFFAOYSA-N 407.473 5.726 0 1 HKAF CC(C)CN(CC(C)C)C(=O)c1cnc(NC2CCCC2)nc1-c1ccccc1F 82152976 OXSQDJWGHLPHNK-UHFFFAOYSA-N 412.553 5.391 0 1 HKAF Cc1nc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccc(F)cc2)oc1C 82164811 GBYVEQREZOFBNW-UHFFFAOYSA-N 406.436 5.348 0 1 HKAF O=C(O)c1cccc(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)c1 95581586 UEVRZKOMZJXSHK-UHFFFAOYSA-N 422.289 5.159 0 1 HKAF CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(O)cc2)C2=C(O)CC(C)(C)CC2=N1 104705331 VIXZXWRAZXHBQX-HSZRJFAPSA-N 416.521 5.784 0 1 HKAF CC/C1=C(/c2ccccc2)c2ccc(OCCN(C)C)cc2SCc2ccccc21 104933506 JKRYTNWVISKRSS-SLEBQGDGSA-N 415.602 6.602 0 1 HKAF Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cnccn3)cc(-c3cncs3)c2)cc1 113752535 DRQAXANIBUPCQS-MRXNPFEDSA-N 400.507 5.067 0 1 HKAF CC(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(O)=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118923936 WHTLPCXFTUAFRL-NFRXNIEZSA-N 418.662 6.245 0 1 HKAF O=C(O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCCc4ccc(F)cc43)nc2c1 143551114 OOHZMOHFVMWDHU-UHFFFAOYSA-N 417.415 5.358 0 1 HKAF O=C1CC[C@@H](c2ccccc2-c2ccccc2)N1Cc1ccc(OC(F)(F)F)cc1 167354022 ZYTUXSQJQSTHAA-QFIPXVFZSA-N 411.423 6.116 0 1 HKAF Oc1ccc(/C=C/c2ccc(/C=C/c3ccc(O)cc3)c(OCC(F)(F)F)c2)cc1 169311153 POGYBGNMENGKMZ-RJTULKDBSA-N 412.407 6.380 0 1 HKAF COc1ccc2cc3n(cc-2/c1=N/[C@@H](C)c1ccccc1)CCc1cc2c(cc1-3)OCO2 169725121 FYJTVIQVVVTNEN-MACCWIEESA-N 424.500 5.215 0 1 HKAF CC[C@@H](NC(=O)c1c(N)c(-c2sccc2Cl)nc2ccccc12)c1ccccc1 206921193 GYCJQRRNEKWGGT-QGZVFWFLSA-N 421.953 6.080 0 1 HKAF C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@]4(C)C(=CC[C@@]5(C)CCC(C)(C)C[C@@H]45)[C@H]3CC[C@@]21C 238767617 BYIIAVUKGBEPKI-AQFZBKFZSA-N 410.686 7.987 0 1 HKAF COC(=O)[C@@H]1[C@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(OC)cc2)cc1)C3 253632584 AMHYXJZDPUGVJV-XTXUPFNTSA-N 417.549 5.039 0 1 HKAF CC[C@H](C/C=C(/C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 255219085 HZYXFRGVBOPPNZ-SBESJFHFSA-N 412.702 7.945 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC=C2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@@H]1[C@H](O)C3 257402165 CZXLHIZQQUJTND-CSUFEPDPSA-N 400.647 6.424 0 1 HKAF endogenous,in-man COc1ccc(-c2nnc(-c3ccc4nc(C5(c6ccc(O)cc6)CC5)[nH]c4c3)o2)cc1 586898995 PVORFCVXCQLYPZ-UHFFFAOYSA-N 424.460 5.074 0 1 HKAF Cc1cc(Br)ccc1OCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586981159 LITVDHKNWQEVJA-UHFFFAOYSA-N 419.628 5.885 0 1 HKAF CC(C)COc1cc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2cc1Br 587090848 ZVCDEMHARFWUJL-LBPRGKRZSA-N 403.601 5.284 0 1 HKAF C[C@@H](Oc1ccc(CCc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1)C(=O)O 587105601 ASPPJRADAPNWPM-MRXNPFEDSA-N 423.468 5.083 0 1 HKAF Cc1cnc(Cl)c2[nH]c(-c3cccc(CSc4cc(F)ccc4F)c3)nc12 587141585 VSOBOERSFVPOLI-UHFFFAOYSA-N 401.869 6.157 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1F 587151596 RZFVLGNWUNPZCS-JOCHJYFZSA-N 420.394 5.334 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2Cc2ccccc2)[C@@H]1c1ccc(F)cc1 587351731 GZNMJGNFAVCRQH-LNXUECGXSA-N 402.465 5.672 0 1 HKAF Cc1ccc(-c2nc3sccn3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587412321 AJUWVFPBKCGEIJ-IBGZPJMESA-N 403.507 5.277 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(C)cc4)nc4c(C)cccn14)[C@@H](C2)C3=O 587437213 XTKKWMAFKCJASL-DFBJGRDBSA-N 410.473 5.115 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[C@@H](C2)C3=O 587450649 NWHFZIBWDHQFGD-SIBVEZHUSA-N 408.538 5.659 0 1 HKAF CCCOc1c(Cl)cc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OC 587461815 UCKAWFNGAPNIPE-IBGZPJMESA-N 404.890 5.502 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(Cl)cc3Cl)o1)CC2=O 587463538 YIAOAUQPFHMFAN-OAQYLSRUSA-N 417.288 6.618 0 1 HKAF CC(C)(C)OC(=O)Nc1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587511444 KSOQGUOWFZOUQF-VWLOTQADSA-N 407.510 5.793 0 1 HKAF CCOC(=O)c1[nH]c2ccc(C)cc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521191 ANKRZWJNMGNPJP-NRFANRHFSA-N 403.478 5.238 0 1 HKAF C[C@]1(c2ccc(C(F)(F)F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550092 SRZIZIVSVCGLDC-WIYYLYMNSA-N 418.342 5.427 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc(Cl)cc1 587551540 GPLRXQDEPRCCPU-ZJSXRUAMSA-N 417.848 5.539 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCOc1c(Cl)cccc12 587554467 XUMCXEJQZKAYGO-XXBNENTESA-N 408.837 5.075 0 1 HKAF Cc1ccc(C(C)C)c2c1[C@@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606122 BIUXAWIJKXABMQ-ATIYNZHBSA-N 416.473 5.464 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccccc2)s1 587609000 AWRGZGVMDOAOOE-KNQAVFIVSA-N 401.443 5.219 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccc(Br)cc3)c2c1 587637834 ASCNCENQVZWGNE-LBPRGKRZSA-N 414.299 5.462 0 1 HKAF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C(F)(F)F)c1 587711798 MISZMXJKZWKOLM-VVVCHXIZSA-N 418.228 5.239 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1ccc(F)cc12 587727817 DOFYPYIWYVGGCI-VERVWZFWSA-N 412.277 5.534 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(F)cc2Cl)N1 587728994 UMIOPJMPYXZMJB-YPMLDQLKSA-N 400.694 5.373 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccc(F)cc3)s2)N1 587735123 PFVYOWJEOWPNGF-MGNBDDOMSA-N 421.310 5.474 0 1 HKAF Cc1ccc(C)c(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587753839 JXZITUVDEYOYHZ-OYHNWAKOSA-N 413.334 5.619 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccccn3)cc2)N1 587772964 PUTNRQGBAPZWBI-YEJXKQKISA-N 413.290 5.399 0 1 HKAF CC1=CSc2ccc(Cl)cc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587854334 DJOBBDPIQVNBFY-JEOXALJRSA-N 424.766 6.029 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3nccc(Cl)c3s2)N1 587857067 KAUNGEWNXWECEG-PWJLMRLQSA-N 411.727 5.475 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cccc(C(F)(F)F)n1 587865296 SRWLZACTYQZAKS-UHFFFAOYSA-N 401.310 5.371 0 1 HKAF Nc1ccc(-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)c(Cl)c1 587922947 JTLHRLXJARLQEU-UHFFFAOYSA-N 419.912 7.000 0 1 HKAF COc1ccc(/C=C/Cc2nc3cc(Br)cc(Cl)c3[nH]2)c(OC)c1 587930155 QHFZQNZDWDBZRY-ONEGZZNKSA-N 407.695 5.252 0 1 HKAF COc1cncc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c12 587948912 LNIJHGDNHAHKRS-GQIGUUNPSA-N 407.514 5.251 0 1 HKAF FC(F)(F)Oc1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cc1Cl 587949402 FKVVFIMFSQIWBV-UHFFFAOYSA-N 418.802 6.498 0 1 HKAF COc1cccc([C@]2(c3ccccc3C(F)(F)F)NCCc3cc(C)c(F)cc32)c1 962299495 OCSCCHIWLKUSCD-HSZRJFAPSA-N 415.430 5.599 0 1 HKAF Fc1c(Cl)cc(C(F)(F)F)cc1[C@@H]1NCCc2cccc(-c3ccccc3)c21 962657295 AOOKCSIRKZTNMN-NRFANRHFSA-N 405.822 6.400 0 1 HKAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1ccc(Sc3ccccc3Cl)cc1)NCC2 962928583 SCFQSMSIXVKLOO-QHCPKHFHSA-N 422.981 5.428 0 1 HKAF COc1cccc2cc3c(nc12)[C@](C)(c1ccc(Oc2ccccc2)c(F)c1)NCC3 963050748 CWAXLRBBFIFQKC-SANMLTNESA-N 414.480 5.584 0 1 HKAF C/C(=C/[C@]1(c2ccccc2)NCCc2c(Cl)cc(Cl)cc21)Nc1ccccc1 963103729 GKVOOXQWKXHUEV-NSNCMOJPSA-N 409.360 6.399 0 1 HKAF COC1=CC(c2cccc(OC)c2OC)=NC1=CC=C1N(C)c2ccccc2C1(C)C 1857543279 XMIPHUUVGBWVHQ-UHFFFAOYSA-N 416.521 5.232 0 1 HKAF COC1=CC(c2ccc3ccccc3c2)=NC1=CC=C1N(C)c2ccccc2C1(C)C 1857589957 RYIZQOFZEHGYDC-UHFFFAOYSA-N 406.529 6.368 0 1 HKAF CN(C)c1ccc(-c2cnn3c(Nc4ccc(Oc5ccccc5)cc4)ccnc23)cc1 1857593280 UNBSHALAYVRUKI-UHFFFAOYSA-N 421.504 5.998 0 1 HKAF CC(C)C[C@@H](C(=O)O)N1C(=O)S/C(=C\c2ccc(Oc3ccccc3)cc2)C1=O 1857644946 YZYOYEMLXSJJQH-UZNZLNSGSA-N 411.479 5.015 0 1 HKAF O=C(Nc1ccc(Cc2ccccc2)cc1)N1CCN(c2cccc3[nH]ccc23)CC1 1857652178 DTIZVKFDIMBDCG-UHFFFAOYSA-N 410.521 5.113 0 1 HKAF CO[C@H]1C[C@H](Oc2cc(F)c(F)c(-c3cc(C)c(OCCCC(=O)O)c(C)c3)c2)C1 1857652207 MIWHWLDDCINLRR-QAQDUYKDSA-N 420.452 5.048 0 1 HKAF C[C@@H]1[C@@H]2[C@@H](c3cc(-c4cc(=O)c5c(O)cc(O)cc5o4)c(O)cc3OC2(C)C)C1(C)C 2356478872 WOEBDCLYNHDBHY-ZTRWJGPNSA-N 422.477 5.124 0 1 HKAF C[C@@H]1CC[C@]2(C)[C@H](C)CC[C@H](O)[C@]23CCC2=C(c4c[nH]c5cccc(c45)C2(C)C)[C@@H]13 2356535540 CGVQZHKJDJWLLW-DGRLLKPQSA-N 403.610 6.836 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)[C@H](C)[C@H]1CC3 2356582493 KLLFGBWPBOBVAC-QWAYKHAESA-N 414.718 8.025 0 1 HKAF CC(C)=CCc1cc([C@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)cc(C)c1O 2356624374 BQZAYGMHUNJOFN-HSZRJFAPSA-N 422.521 5.836 0 1 HKAF C[C@@H](CCC[C@@H](C)CO)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356732688 OQIJRBFRXGIHMI-XOYSRXJLSA-N 420.678 5.412 0 1 HKAF COc1ccc([C@H](N)c2csc(NC(=O)Nc3ccccc3C(C)(C)C)n2)cc1 61896101 ZIDCXOTWTFARAA-IBGZPJMESA-N 410.543 5.141 0 3 HKAF CC[C@H](CO)Oc1cc(NCc2ccccc2C(F)(F)F)c2ncn(C(C)C)c2c1 61948913 JMCYLPNDPFSBAF-MRXNPFEDSA-N 421.463 5.398 0 3 HKAF CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCCN(CC)CC 4213518 NTWQZQQTOMERJT-LOSJGSFVSA-N 423.601 5.312 0 1 HKAF CCOc1ccc(-c2nc(CSCC(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)c(C)o2)cc1 4715134 BOLRBHQKNRDNDU-FTRWYGJKSA-N 416.587 5.223 0 1 HKAF CN(C)CC[C@@H](OC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 13684767 INJCGKXCJYIXOV-QGZVFWFLSA-N 400.828 5.600 0 1 HKAF CSc1ccc(OCc2nnc3sc(-c4cccc(Cl)c4Cl)nn23)cc1 28708999 KMUCWRIQADCEQP-UHFFFAOYSA-N 423.350 5.461 0 1 HKAF Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1CNc1ccc2ccccc2c1 40563964 KEWAMYXPBBFLQV-UHFFFAOYSA-N 410.300 7.257 0 1 HKAF CCCc1nc2cc3c(Nc4ccc(OC)cc4)ncnc3cc2n1CCCOCC 40829180 AVRIUJJQIMHJAA-UHFFFAOYSA-N 419.529 5.111 0 1 HKAF COc1ccc2cc(/C=C/c3nc4ccccc4n4c(C(F)(F)F)nnc34)ccc2c1 40914928 PQLDPNLMJCEZEC-YRNVUSSQSA-N 420.394 5.629 0 1 HKAF C[C@H](Oc1ccc(F)cc1-c1ccc(C(=O)N2CCCC2(C)C)c(Cl)c1)C(=O)O 43202001 AFIDJUXVZLKEJK-ZDUSSCGKSA-N 419.880 5.013 0 1 HKAF COc1ccc(OC)c([C@@H](Nc2ccc(C)cc2Cl)C(=O)CCc2ccncc2)c1 52595135 PISOWPUVURXJEA-XMMPIXPASA-N 424.928 5.416 0 1 HKAF CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 58602828 DOZIYCILMYHUHW-QGZVFWFLSA-N 407.297 5.298 0 1 HKAF Cc1nc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccccc2F)sc1C 82175036 MXBFCCBMKRVVFK-UHFFFAOYSA-N 422.504 5.817 0 1 HKAF Cc1cnc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc(-c3ccccc3)cc2)o1 82176684 XVJBPGCAXGDESD-KDURUIRLSA-N 424.548 6.256 0 1 HKAF CC[C@H](C)Cn1c(-c2ccccc2)nc2c(NCCc3ccc(F)cc3)ncnc21 82186999 UHVQFHHZOQLFDK-KRWDZBQOSA-N 403.505 5.333 0 1 HKAF CC[C@H](C)Cn1c(-c2ccc(C)o2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187357 FVRKGAXPQFENMP-HNNXBMFYSA-N 407.493 5.235 0 1 HKAF CC(C)=CCC[C@@]1(C)C=Cc2c(ccc(C(=O)CCc3cc(C=O)ccc3O)c2O)O1 95587633 UPRWLWONANYJHV-SANMLTNESA-N 420.505 5.637 0 1 HKAF CC(=O)N(C)[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(c5cncc(C)c5)=CC[C@H]4[C@@H]3CC[C@@H]2C1 141036201 BLBFEQACRQJDKJ-UQBCYGBHSA-N 420.641 6.273 0 1 HKAF Cc1ccc(NC(=O)N2CCCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 144415229 OMEPDKPBROMBIH-UHFFFAOYSA-N 414.509 5.186 0 1 HKAF CC(C)(C)CN1CC(c2nnc(Cc3nc4ccc(-c5ccccc5)cc4s3)o2)C1 146960461 ORSARLLUEVRNSE-UHFFFAOYSA-N 418.566 5.382 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1ccc(F)c(-c2ccccn2)c1 167332304 HNAXXWBRRKDQGR-OAQYLSRUSA-N 420.484 5.159 0 1 HKAF CCCC[C@H](Sc1cc(C2CCCCC2)c(O)c(C2CCCCC2)c1)C(=O)O 169321137 JRVAYDYFCCDERM-QFIPXVFZSA-N 404.616 7.223 0 1 HKAF CCc1cccc(NC(=O)c2cccc3cc(-c4cccc5[nH]nc(N)c45)ccc23)c1 169350177 WPVPVCZYFQZIDO-UHFFFAOYSA-N 406.489 5.780 0 1 HKAF CCOC(=O)C1=C(c2ccsc2)N=C(C)[C@H](C(=O)OCC)[C@H]1/C=C/c1ccccc1 169715031 RHMOBIXFXQSYNJ-UBGMWTFPSA-N 423.534 5.006 0 1 HKAF CC1=Nc2nc3ccccc3n2[C@H](c2ccco2)[C@@H]1C(=O)Nc1ccc(F)c(Cl)c1 169724285 KYCWRDXLEJWCRP-WOJBJXKFSA-N 422.847 5.372 0 1 HKAF C[C@H]1C[C@@H]1c1cc(NC(=O)Nc2ccccc2Br)n(-c2ccccc2)n1 204748962 XJWFYCMGHYJLAU-ZFWWWQNUSA-N 411.303 5.402 0 1 HKAF c1ccc(CCCCN2[C@H]3CC[C@H]2c2c(n(-c4ccccc4)c4ccccc24)C3)cc1 261191434 ZIKSLIAMFOSMMG-IGKIAQTJSA-N 406.573 6.715 0 1 HKAF COc1ccc(-c2c(CO)n(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cn1 299820474 HFPUPQHYSFVRAA-UHFFFAOYSA-N 412.411 5.271 0 1 HKAF COc1cc(NCc2ccc(O)cc2)c2nccc(C)c2c1Oc1cccc(F)c1 299837441 KDKDHRRUHTVTNH-UHFFFAOYSA-N 404.441 5.801 0 1 HKAF CCCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 473107596 JJKBVRDINIELEO-QGZVFWFLSA-N 415.950 5.300 0 1 HKAF O=C1c2ccccc2-c2cc([C@H]3C[C@@H]3c3c(F)cccc3Cl)nc3ccc(O)c1c23 586986942 RKXVQYIIYGCIKS-GJZGRUSLSA-N 415.851 6.215 0 1 HKAF CCOC(=O)c1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)nc1C 586987760 FKQLECPAZCUFII-UHFFFAOYSA-N 424.456 5.007 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc(-c5cnc(Cl)s5)[nH]c4c3)o2)cc1 587023597 RCPOCOQFBABXRN-UHFFFAOYSA-N 409.858 5.065 0 1 HKAF Fc1cnc(Cl)c2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc12 587068207 LTRWWPWDHQFOMT-UHFFFAOYSA-N 414.227 5.517 0 1 HKAF CCCOc1cc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2cc1Br 587068447 AEFFBOWCRUUDCA-UHFFFAOYSA-N 407.695 5.193 0 1 HKAF CC(=O)Oc1ccc(Cc2c(C)nc3c(C)ccc4c3c2-c2ccccc2C4=O)cc1 587099606 OOUGHXRNLDBKMF-UHFFFAOYSA-N 407.469 5.579 0 1 HKAF Cn1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(C(F)(F)F)c1 587111231 BIFJHYFMICPVKX-UHFFFAOYSA-N 412.131 5.369 0 1 HKAF Cc1ccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2c1 587112454 VKUQZMDDWFKIOG-UHFFFAOYSA-N 420.356 7.243 0 1 HKAF Fc1cccc([C@H]2C[C@H]2c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1F 587152482 OJOPHLXEWBVRDS-RKDXNWHRSA-N 417.175 5.894 0 1 HKAF CCCCCOc1cc2nc(CCc3ccc(C)c(N)c3)[nH]c2cc1Br 587250564 MDOKBXOZBPCRHQ-UHFFFAOYSA-N 416.363 5.570 0 1 HKAF C[C@@]1(C2CCC(C(F)(F)F)CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326577 CIHGSGADOPEGML-WSOQPFFSSA-N 422.418 6.018 0 1 HKAF C[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331126 PIAYCVUTHCXFGE-UNMCSNQZSA-N 416.370 5.824 0 1 HKAF COc1cccc(-c2cc(-c3cnc(SC)nc3N)nc3c2oc2ccccc23)c1 587365169 JMLCBLUIERUZTE-UHFFFAOYSA-N 414.490 5.418 0 1 HKAF COc1cccc(-c2c(CC(=O)O)c(-c3ccccc3)nc3c2oc2ccccc23)c1 587367453 QZCRPCAZCWDJJV-UHFFFAOYSA-N 409.441 5.951 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCc3sc(Cl)cc32)[C@@H]1c1ccc(F)cc1 587371494 FAHNLMSSKONTHO-TZIWHRDSSA-N 400.858 5.447 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(Br)cc1Cl)[C@@H](C2)C3=O 587412984 LEEOQBUFKMWCOU-BTDLBPIBSA-N 414.082 5.253 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(C(C)(C)C)[nH]c4c(C)ccc(Cl)c14)[C@@H](C2)C3=O 587418606 CHPQIPIULMKDKG-RCDICMHDSA-N 409.913 5.925 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccc(Br)cc1)CC2=O 587459859 ZENGMRJFOZIKAO-NRFANRHFSA-N 403.316 5.464 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(Cl)cc2CCc2cccnc21 587463267 UUQVWKSYVQQLDE-VWLOTQADSA-N 419.908 5.401 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(CC(C)C)cc1)CC2=O 587492726 YIGMGUAMEHXESF-RUZDIDTESA-N 410.510 5.269 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)c(C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587504549 WZIHBYOGBJMQSC-JOCHJYFZSA-N 406.913 5.728 0 1 HKAF CC[C@@]1(c2ccc(OC(=O)C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587521150 CZRHYPJKYHVYRT-SANMLTNESA-N 406.522 5.788 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccccc1F 587569577 RHSDZKVWITXTPC-ZJSXRUAMSA-N 401.393 5.025 0 1 HKAF CCCC[C@@H]1Cc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587603933 QDGQONNAEGOYSD-XZLZDHACSA-N 400.474 5.612 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)NCc1ccccc1 587625702 MHXBCWCXUUOERU-UHFFFAOYSA-N 400.322 5.444 0 1 HKAF Cc1ccc(NC(=S)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1C 587661657 QTQHMWHKLNKZFH-UHFFFAOYSA-N 403.482 5.065 0 1 HKAF C[C@H](C(F)(F)F)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587710599 TVSYFCFFSUGWPS-SOZUMNATSA-N 416.256 5.564 0 1 HKAF CCc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587756975 UAAWBJSPHPRRIJ-FPTDNZKUSA-N 413.334 5.565 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccccc3)o2)N1 587826574 FATRFWWXKBXRGX-ZSEKCTLFSA-N 400.291 5.646 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3nccc(Cl)c3s2)N1 587857075 KAUNGEWNXWECEG-ZKANADHPSA-N 411.727 5.475 0 1 HKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587952993 YSPDXPOBMZXCPH-KUDFPVQQSA-N 405.567 6.886 0 1 HKAF COc1ccc(C(C)(C)C(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC 653773268 UXYJJBUVNCVDKE-UHFFFAOYSA-N 414.473 5.196 0 1 HKAF COc1ccc2c(c1)[C@@](c1ccsc1)(c1ccc(F)cc1Cl)N(C(C)C)CC2 962095834 WXOLWOSSTBUMPK-HSZRJFAPSA-N 415.961 6.108 0 1 HKAF C[C@]1(c2nc3ccccc3s2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962647757 WJZYKCMHSUAUTD-QFQXNSOFSA-N 411.574 5.307 0 1 HKAF CC[C@@]1(c2ccc3ccccc3c2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962709290 QKPZGHNFAHPZIT-IRLDBZIGSA-N 417.402 5.250 0 1 HKAF COc1ccc(CC[C@H]2CN(Cc3c[nH]c4cc(OC)ccc34)CCC2(F)F)cc1 1772574796 WWKVBXCNLFJMJD-IBGZPJMESA-N 414.496 5.275 0 1 HKAF Cc1cccc(Cl)c1-n1cnc2nc(SCc3ccc(F)cc3)sc2c1=O 1857577362 IOKHATZXYCFECS-UHFFFAOYSA-N 417.918 5.235 0 1 HKAF CC(=O)c1c(O)c2cc(Cl)cc(C(F)(F)F)c2[nH]c1=Nc1ccc(F)cc1F 1857601539 KWHSFXDLLCOXTM-UHFFFAOYSA-N 416.733 5.259 0 1 HKAF C[C@@H]1CC[C@@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 1857622331 WQLVFSAGQJTQCK-GASLOSHVSA-N 414.630 5.714 0 1 HKAF O=C(NCc1ccccc1)c1cc(Oc2ccc(/C=C/c3ccncc3)cc2)ccn1 1857654439 GDKUOGXROWAMPO-VOTSOKGWSA-N 407.473 5.369 0 1 HKAF CC[C@@H](C)C(=O)c1c(O)c(C)c(OCC=C(C)CCC=C(C)C)c(C(C)=O)c1O 2356380141 SLMXSSJVARUOAM-MRXNPFEDSA-N 402.531 5.909 0 1 HKAF CC=C(C)C(=O)O[C@@H]1[C@@]2(C)C=C[C@@]13CC[C@H]1[C@@](C)(CCC[C@@]1(C)C(=O)O)[C@@H]3CC2 2356496541 XAGOABKVVNRUKC-XNEYVXBASA-N 400.559 5.528 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@@H](C)[C@@H]1OC(=O)C=C(C)C 2356549684 IDAAXBSMDRZVPD-BFZYAMCYSA-N 414.542 5.105 0 1 HKAF CC[C@@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356632422 BBTIMXAYZRWPNG-VPUBHVLGSA-N 414.718 8.025 0 1 HKAF Cc1ccc(S[C@@H](CCN2CC[C@H](C(C)(C)C)CCC2=O)c2ccccc2)cc1 15935338 ZIWLVNLLFFCICD-VWNXMTODSA-N 409.639 6.893 0 3 HKAF C[C@]1(C(=O)NCc2cccc3ccccc23)CCN1Cc1ccc(-c2ccccc2)o1 61905776 SFFLEIGDKDGEBL-HHHXNRCGSA-N 410.517 5.381 0 3 HKAF CCc1ccnc(Nc2nc3ccc(C(=O)Nc4c(C)cccc4Cl)cc3s2)c1 13536574 IZVWETXOQJIPDM-UHFFFAOYSA-N 422.941 6.211 0 1 HKAF Clc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c(-c3ccncc3)[nH]2)cc1 26572295 BEUJQOCLEVYLAY-UHFFFAOYSA-N 423.903 7.251 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4C=C(CO)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 28760143 ACLUPLRKEIYGOI-ZKESZXJYSA-N 413.646 5.739 0 1 HKAF CCCCCn1nc(C(=O)NC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)c(=O)c2ccccc21 28864746 NMGDBJJPTLDOFA-WNPZUFKQSA-N 421.585 5.066 0 1 HKAF NC(=O)c1cnc2cc(-c3ccc(C(=O)C4CC4)cc3)ccc2c1Nc1ccccc1 28960592 IAGJLQJSONOLTF-UHFFFAOYSA-N 407.473 5.337 0 1 HKAF CN1CCC(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)=C[C@H]1Cc1ccccc1 33970127 YWBVUKPOVHCDRT-RUZDIDTESA-N 423.535 6.213 0 1 HKAF O=C1NC[C@@H](c2ccc(F)cc2)C12CCN(C1(c3cccc(F)c3)CCCCC1)CC2 36222082 POAHFMHBQCXHLU-QHCPKHFHSA-N 424.535 5.120 0 1 HKAF O=C(Nc1cccc(OCc2ccc(-c3ccc(F)cc3F)cc2)c1)C1CCNCC1 40952351 DKBXALXLCHJXLR-UHFFFAOYSA-N 422.475 5.149 0 1 HKAF O=C(CCc1ccccc1)N1CCc2c([nH]c3ccccc23)[C@H]1CCc1ccccc1 45353919 YWZIQGQECKGVDO-AREMUKBSSA-N 408.545 5.859 0 1 HKAF CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1c(C)nn(-c2ccccc2)c1Cl 64415766 FNEOLEPRDWVRFN-LJQANCHMSA-N 413.308 5.185 0 1 HKAF CC[C@@H](C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 78278180 IUXWFWQWKZBGFL-PODYLUTMSA-N 400.691 7.779 0 1 HKAF CC[C@H](C)Nc1ncc(C(=O)NCc2ccccc2Cl)c(-c2ccccc2F)n1 82152828 LOJHITYYGZTKEH-AWEZNQCLSA-N 412.896 5.077 0 1 HKAF CCn1c2ccccc2c2c3c(ccc21)NC(=O)CS[C@@H]3c1ccc(OC)cc1 84559350 UBNUPAYBYFVWLJ-XMMPIXPASA-N 402.519 5.598 0 1 HKAF CN(C(=O)c1cccc(Cl)c1)[C@H]1CCC[C@H](N(C)C(=O)c2cccc(Cl)c2)C1 95586333 DTNXLEODOOJWRE-PMACEKPBSA-N 419.352 5.149 0 1 HKAF CC(C)=CCC[C@]1(C)C=Cc2cc3oc4c(c3c(O)c2O1)COc1cc(O)ccc1-4 95912798 QATWTDFKCQHTAE-RUZDIDTESA-N 404.462 6.314 0 1 HKAF biogenic,in-vitro O=C(Nc1ccc(Cc2ccccc2)cc1)c1ccccc1Cn1ccc2ncnc-2c1 100062203 ISJANRGNFWMQCJ-UHFFFAOYSA-N 418.500 5.274 0 1 HKAF Fc1ccc(-c2nc3ccn(Cc4ccc(Br)cc4)cc-3n2)c(F)c1 100068428 NYZOJWCGWFEXKN-UHFFFAOYSA-N 400.226 5.139 0 1 HKAF CCOC(=O)COc1ccc(-c2ccc(O)cc2)cc1Cc1ccc2ccccc2c1 103256401 JOXQUTBUIMIJCA-UHFFFAOYSA-N 412.485 5.745 0 1 HKAF CC(C)NC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 113658164 YAYCLPNKCZCYNV-UHFFFAOYSA-N 424.548 5.144 0 1 HKAF O=C1NC[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)N1c1ccc2[nH]cnc2c1 116829027 WDZOAPQQZAASFW-NRFANRHFSA-N 423.303 5.808 0 1 HKAF Fc1cc(-c2nnc([C@@H](NCc3ccccc3)c3ccc[nH]3)o2)c(Cl)cc1Cl 169307882 ANQZUKMYUXTCOE-SFHVURJKSA-N 417.271 5.390 0 1 HKAF COc1ccc(-c2ccc3c(=O)n(C)c4cc(-c5ccc(Cl)cc5)nn4c3c2)cc1 169350962 DGGSOTYIJZMYPJ-UHFFFAOYSA-N 415.880 5.182 0 1 HKAF C/C=C(/C)C(=O)OC[C@H]1[C@H](O)CC[C@@H]2[C@@](C)(CCc3ccoc3)C(C)=CC[C@@]12C 238752106 CPPNOLWNGNZSPV-ONBWTPDMSA-N 400.559 5.471 0 1 HKAF Cc1ccc(-n2ccnc2SCc2nc3ccc(C(F)(F)F)cc3[nH]2)c(C)c1 586966146 HFSOUGZKBOYJEX-UHFFFAOYSA-N 402.445 5.677 0 1 HKAF CCOc1cc(/C=C/c2nc3cccc(Cl)c3[nH]2)cc(Br)c1OC 586978143 MGUORAWBWMXFHD-BQYQJAHWSA-N 407.695 5.557 0 1 HKAF COC(=O)c1ccc(Oc2ccc3[nH]c(-c4ccc(Br)o4)nc3c2)cc1 587006403 IZGGOOKKYVFDJG-UHFFFAOYSA-N 413.227 5.164 0 1 HKAF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cccc(F)c4[nH]3)cs2)cc1 587012820 KOSQIZBQYOLNFE-UHFFFAOYSA-N 424.501 5.763 0 1 HKAF FC(F)(F)Sc1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 587032674 MSHXNBQBQYSXPG-UHFFFAOYSA-N 405.470 6.183 0 1 HKAF CC(C)COc1cc2[nH]c(-c3cc4c(s3)CC[C@H](C)C4)nc2cc1Br 587034688 YANADKJOPBIDHH-LBPRGKRZSA-N 419.388 6.214 0 1 HKAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(OCc3ccccc3)ccc2[nH]1 587039871 WJCJBEFSYNSFQQ-UHFFFAOYSA-N 423.498 5.007 0 1 HKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587061082 ADIJVPUURYIXLX-LBPRGKRZSA-N 405.754 5.796 0 1 HKAF Fc1c(Br)ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 587128831 RMXDCNZOPRSURO-UHFFFAOYSA-N 424.245 6.193 0 1 HKAF Cc1c(Br)cc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2c1C 587197977 QQQMBSTVGUPVDV-MRXNPFEDSA-N 410.356 5.506 0 1 HKAF C[C@@]1(c2ncc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326761 CZESQZLUQHLRRE-WIYYLYMNSA-N 418.251 5.507 0 1 HKAF CC[C@@]1(c2ccc(OC(C)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351782 NGFOHZOJOAUJHO-NOZRDPDXSA-N 420.436 5.121 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OC/C=C\c1ccccc1)CC2=O 587477063 DPTBCOPEYIDORH-ZOOHUQRHSA-N 414.501 6.143 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C=O)cc3)cc1OC)CC2=O 587480903 OREOIJNHCQVRQI-VWLOTQADSA-N 416.473 5.539 0 1 HKAF COc1c(Br)cc(Cl)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587499777 OSQLCDVBAGYPHH-SFHVURJKSA-N 421.718 5.696 0 1 HKAF O=C1C[C@@H](c2ccc(-n3ccnc3)c(Br)c2)Oc2c1ccc1c2CCCC1 587501490 IYAVAUUBOWCUCJ-NRFANRHFSA-N 423.310 5.220 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 587503983 HQAABJAGVFYING-SANMLTNESA-N 418.920 6.142 0 1 HKAF CCOc1cc(Br)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587504134 PHGCHXSCIDUZFF-FQEVSTJZSA-N 401.300 5.433 0 1 HKAF O=C1C[C@@]2(CCC[C@@H]2c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 587506820 PIVWXFFYAMYTBY-WZONZLPQSA-N 401.333 6.544 0 1 HKAF C[S@@](=O)c1ccccc1-c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587532079 KRVHISPPAUCDIG-QABMSTFYSA-N 416.542 5.676 0 1 HKAF Cc1cc2c(cc1Cl)[C@]1(C=CO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551507 GDUUBTWWIDURSW-OFNKIYASSA-N 406.821 5.117 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(O)cc2)cc1 587606752 FZHFCYHLFDGDNP-JYFHCDHNSA-N 410.425 5.468 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(Cc3ccc(Cl)cc3)c(CCc3ccccc3)c2c1 587639786 CQKWSXKRURVRSH-LJQANCHMSA-N 401.981 7.711 0 1 HKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(Br)c(F)c1 587657880 CWFQMACUXRFQCV-UHFFFAOYSA-N 413.221 5.093 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(C(F)(F)F)N1 587707030 SDZHILHGDFJSND-SGTLLEGYSA-N 416.256 5.513 0 1 HKAF Cc1nc(-c2ccccc2)[nH]c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587792079 OFNQKXVSUPBCPY-GTJPDFRWSA-N 414.322 5.084 0 1 HKAF Cc1ccc(C[C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587813512 OEOKZZBLQUQSOZ-OSPHWJPCSA-N 424.357 5.917 0 1 HKAF Cc1ccc(C(C)C)c2c1[C@]1(CCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587836711 XNEPTSNBBKDFNC-FPTDNZKUSA-N 418.350 5.580 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2SC(C)(C)C)N1 587841069 PGKKXTKOTQAVSV-LRTDBIEQSA-N 422.407 6.277 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1/C(=C\c1ccccc1)c1ccccn1 587868272 YJNGWPNHOZVGEQ-MOSHPQCFSA-N 422.410 5.414 0 1 HKAF COc1ccccc1OCc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587874220 XTKXAIRCHNWNLC-UHFFFAOYSA-N 416.408 5.071 0 1 HKAF COc1ccc(CCCc2nc3cc(Cl)cc(Br)c3[nH]2)cc1OC 587925279 DQFNSONXZNAQAT-UHFFFAOYSA-N 409.711 5.171 0 1 HKAF COc1cc2nc(-c3ccc(-c4ccc(OC)c(OC)c4)cc3O)[nH]c2cc1Cl 587927619 TUWZMTZJZLRLCE-UHFFFAOYSA-N 410.857 5.282 0 1 HKAF FC(F)(F)Oc1cc(Br)c2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc2c1 587960002 JTCQWTWKGFDPAH-AAEUAGOBSA-N 411.221 5.570 0 1 HKAF c1cc(COc2ccc3[nH]nc(-c4nc5cc(N6CCCCC6)ccc5[nH]4)c3c2)ccn1 653827732 WKBBXEFFMXFCMS-UHFFFAOYSA-N 424.508 5.071 0 1 HKAF CCCN(CCC)C(=O)c1c(C)c2c(C(=O)OC(C)(C)C)ncn2c2ccccc12 653831286 CMFSAURPWWXOEJ-UHFFFAOYSA-N 409.530 5.013 0 1 HKAF CCCCOc1cc(F)c([C@@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c(F)c1 962615977 AULGRHBBXNZJGW-PEBXRYMYSA-N 405.485 5.127 0 1 HKAF C[C@@]1(c2cnc3ccsc3c2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962645791 YGCAPYGECVBWME-BKMJKUGQSA-N 411.574 5.307 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1cc2ccc(N(CC)CC)cc2oc1=O 963222447 BKPKRRDMPYUIOE-PPHZAIPVSA-N 418.581 5.559 0 1 HKAF Cc1ccc([C@@]2(c3c(N)sc4c3[C@H]3CC[C@H]4C3)NCCc3ccc(O)cc32)cc1 963342046 QILOHKVKFYKIJF-XOWTYJCDSA-N 402.563 5.147 0 1 HKAF C[C@H](NCc1ccc(C(F)(F)F)cc1)c1onc(-c2ccc(F)cc2)c1C(=O)O 2356348805 GTIPCSPRBXRZCV-NSHDSACASA-N 408.351 5.049 0 1 HKAF C[C@H](CCCO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356758812 JSNPIABEUZFKHK-IRHCZACHSA-N 402.663 6.195 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356804820 ZLQNJYXZDDSDNV-PEKGOZSYSA-N 400.647 6.136 0 1 HKAF CCCCc1ncc(/C=C(\Cc2ccsc2)C(=O)O)n1Cc1ccccc1Cl 1552605 UPQNQTPFWQDAED-LDADJPATSA-N 414.958 5.700 0 1 HKAF CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCc1ccccc1N 4080444 WGDNSYGQIVSJJZ-DQEYMECFSA-N 421.585 5.723 0 1 HKAF COC(=O)N1C(/C=C/C=C/c2ccc(OC)cc2)=Cc2ccccc2[C@@H]1CC(C)=O 13817785 PSOQXJJOHWTUNT-KYLFUHJJSA-N 403.478 5.408 0 1 HKAF CSc1ccc(O)c(CSc2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)c1 27525666 NDXBACYYYJTFRJ-UHFFFAOYSA-N 423.538 5.998 0 1 HKAF COc1ccccc1N1CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3)[nH]2)CC1 29568958 WUVWCDVPHNGEEU-UHFFFAOYSA-N 415.459 5.031 0 1 HKAF O=C1N[C@](c2ccccc2)(C2CCCCC2)CN1C1CCN(Cc2ccccc2)CC1 34802194 SVBGOQXKSXKHJQ-HHHXNRCGSA-N 417.597 5.152 0 1 HKAF CCCCc1ccc(-c2ccc3cc(-c4ccc(C(=O)O)c(O)c4)[nH]c3c2F)cc1 34963330 JRAZCAQUOJNFBP-UHFFFAOYSA-N 403.453 6.387 0 1 HKAF CC(C)(C)c1nn(-c2ccccc2)cc1CN1CCC2(CC1)OCc1ccccc12 40862556 WCASNTVQSHOVGI-UHFFFAOYSA-N 401.554 5.191 0 1 HKAF O=C(O)c1cccnc1Nc1ccc(CCCc2ccc(Cl)c(Cl)c2)cc1 40919098 KSGNSLMHWIATCJ-UHFFFAOYSA-N 401.293 6.006 0 1 HKAF CCCCCCNC(=S)Nc1ccc(-c2n[nH]c(=S)n2CCCCCC)cc1 40952870 IHBCAZPWHSJREJ-UHFFFAOYSA-N 419.664 6.055 0 1 HKAF S=c1[nH]c(S)nc2c1c(-c1ccccc1)cn2-c1ccc(Cl)c(Cl)c1 53230071 FZZUGYZITWKNBS-UHFFFAOYSA-N 404.347 6.346 0 1 HKAF CC(C)(C)c1cc[n+](CCCCCCCCCCC[n+]2ccc(C(C)(C)C)cc2)cc1 66103125 PIAWAKHRHZZEIK-UHFFFAOYSA-N 424.717 7.068 0 1 HKAF O=C(c1cc2ccccc2o1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 71318315 CGABLJPVGRRMSW-OAQYLSRUSA-N 402.400 5.703 0 1 HKAF CN(C)C[C@@H]1CCc2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)ccc2C1 72113728 BXCOFLLLXKXLRK-GOSISDBHSA-N 418.968 5.926 0 1 HKAF CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccccc2F)cs1 82193554 IIQXCSVMQSCXRI-UZLBHIALSA-N 403.567 5.251 0 1 HKAF CCOC(=O)c1c(-c2cccc(-c3ccccc3)c2)[nH]c2cc(OC)c(F)cc2c1=O 95556616 SWYDNUMNURIDHT-UHFFFAOYSA-N 417.436 5.187 0 1 HKAF CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 96905790 GTHUJEBWJDTNCO-RUZDIDTESA-N 424.479 5.376 0 1 HKAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4N(C=O)CCC(C)(C)C)[C@@H]3CC[C@@H]12 169713951 HAPCTYIHYYGVQQ-VACSBXFISA-N 416.650 5.113 0 1 HKAF CC1=C(O)/C(=C/[C@@H](C)CCC/C(C)=C/C=C/c2cocc2Cc2ccoc2)OC1=O 238784463 NNOKCWHYNAURHD-GEDMSCMJSA-N 408.494 6.502 0 1 HKAF C/C(=C/CCC(C)C)[C@H]1CC[C@]2(C)C1=CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C 255269439 SXTIDPQFHVNBMX-OIRQXYCISA-N 424.713 8.543 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2cncc(Cl)c2[nH]1 586981721 MNEXLJRJKFWFRV-UHFFFAOYSA-N 408.727 6.000 0 1 HKAF Cc1ccc2c(c1)CCCN2[C@@H](C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988470 SGMUTKWNMZIZKO-KRWDZBQOSA-N 420.512 5.974 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(Br)cs3)nc3ccc(O)c1c23 586994214 QBXXZDOYTDJDLB-UHFFFAOYSA-N 408.276 5.643 0 1 HKAF Fc1c(Cl)cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1F 587017772 OZXLMKROUKJMEH-UHFFFAOYSA-N 413.840 5.910 0 1 HKAF c1ccc(Cc2ncc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)s2)cc1 587020901 CKTKYAXDEYWPTN-UHFFFAOYSA-N 424.554 6.554 0 1 HKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 587044745 QSSOTTOSWSPULR-UHFFFAOYSA-N 407.175 5.453 0 1 HKAF Cc1nn(-c2cccc(-c3nc4cc(Br)c(F)cc4[nH]3)c2)c(C)c1Cl 587065517 RDPIOGRTHNPUNU-UHFFFAOYSA-N 419.685 5.587 0 1 HKAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587081157 WKOJYKSSLZANCA-CYBMUJFWSA-N 413.230 5.612 0 1 HKAF C[C@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccccc1C(F)(F)F 587096958 FNMLOUAETNBVJV-QMMMGPOBSA-N 408.729 6.286 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(Cc5ccccc5)s4)nc13)-c1ccccc1C2=O 587101848 ITFAFHQMYDFIJW-UHFFFAOYSA-N 417.533 7.074 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(-c4cccc(Cl)c4)cc3)nc3cccc1c23 587103154 FLVOUDBPCKLTDE-UHFFFAOYSA-N 417.895 7.434 0 1 HKAF FC(F)(F)c1ccc(Oc2ccc(-c3nc4cnc(C(F)(F)F)cc4[nH]3)cc2)cc1 587114381 RYEJHFPJLADFCW-UHFFFAOYSA-N 423.316 6.455 0 1 HKAF Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cccc(Cl)c3[nH]2)cc1 587165394 UMJFWMMQVYHCEH-UHFFFAOYSA-N 417.875 5.693 0 1 HKAF C[C@@]1(C2(c3ccccc3)CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348953 BAXBJBRZRDEEGJ-AZGAKELHSA-N 416.492 6.161 0 1 HKAF CC(C)(C)c1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357864 WASBINJHZUBKRK-JYFHCDHNSA-N 404.481 6.103 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](c2ccc(F)cc2)CC3)c1 587359804 IFDZLTADEFGWHI-HXUWFJFHSA-N 409.460 6.874 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c1ccc1ccccc21 587406410 HCTSKWQMBRXUMP-MHZLTWQESA-N 405.453 5.184 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)CC2=O 587491347 TZXLIUZNVLURNS-QFIPXVFZSA-N 410.554 6.352 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cccs1)([C@H]1O[C@@H]1c1ccccc1)CC2=O 587492876 CYKZFSOVUCVLFB-YFNKSVMNSA-N 406.503 5.407 0 1 HKAF CC(C)(C)OC(=O)Nc1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587511441 KSOQGUOWFZOUQF-RUZDIDTESA-N 407.510 5.793 0 1 HKAF O=C1C[C@@H](c2cccc3c2cnn3[C@@H]2CCCCO2)Oc2c1ccc1c2CCCC1 587517387 MFKUYLOTOXNOJH-ZEQRLZLVSA-N 402.494 5.321 0 1 HKAF O=C1C[C@H](c2cccnc2Sc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587531246 GXKMTOOFMRCHIK-JOCHJYFZSA-N 421.949 6.472 0 1 HKAF Cc1cc(Br)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587538863 GYZDFDQDTHZVFA-GHTZIAJQSA-N 411.251 5.166 0 1 HKAF COc1ccc(C(F)(F)F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549570 QWXGIWQAJRPNAY-WIYYLYMNSA-N 416.351 5.123 0 1 HKAF Nc1ccccc1[C@@]1(C2CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581990 YGIXNFWKIVPGTR-RCZVLFRGSA-N 401.462 5.022 0 1 HKAF Cc1cc(C)cc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587709180 JCLJERZDYWJTSN-SGTLLEGYSA-N 416.256 5.545 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(C(F)(F)F)c2)N1 587711278 JMIKMPLGGHIFQJ-BCTVWOGZSA-N 406.192 5.370 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2OC(F)(F)F)N1 587720821 NYJAXNVHEGJORE-QGHHPUGFSA-N 418.228 5.285 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC=C2NNc2ccccc2)N1 587751591 YKDLOKGIIHNUAE-LHSJRXKWSA-N 416.338 5.002 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2c[nH]c3ccccc23)N1 587801902 IBGNMSIEYXWLET-ZSEKCTLFSA-N 401.323 5.452 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C=C(c2ccccc2)c2ccccc2)N1 587822020 ZHEHCSBRAOFCAC-AOMKIAJQSA-N 422.341 6.295 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CSc2ccc(Cl)cc2)N1 587848844 YIBWIZAJMGBYFY-BBATYDOGSA-N 414.771 5.783 0 1 HKAF CSc1ccc(-c2csc(-c3ccc(NC(=O)CC4CCCC4)cc3)n2)cc1 587925810 UWUJTMUBAPWBDM-UHFFFAOYSA-N 408.592 6.718 0 1 HKAF COc1cccc([C@@H](C)Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 587932284 RWBFCGTUVPGSSI-JTQLQIEISA-N 413.237 5.699 0 1 HKAF Cc1sc2c(c1C)CCN[C@@]2(c1ccncc1)c1ccccc1NC(=O)C(C)(C)C 963032750 VEXACBRXERAZJT-VWLOTQADSA-N 419.594 5.182 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1ccccc1OCc1ccc(Cl)cc1 963089256 GJUJEHDZBZBERW-OFVILXPXSA-N 407.916 6.168 0 1 HKAF COc1ccc([C@@H]2C[C@@]3(c4ccc(F)cc4C[C@@H]4CCCN43)c3ccccc3O2)cc1 963103942 OWTDDCAVGGNBPA-NJTBCWBZSA-N 415.508 5.622 0 1 HKAF COc1ccc(-c2ccc([C@]3(C4CC4)c4c(F)cccc4C[C@@H]4CCCN43)cc2)cc1 963114488 UEZQRJSDCGHCHB-CUBQBAPOSA-N 413.536 6.175 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1c[nH]c2cc(OCc3ccccc3)ccc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c3c[nH]c4ccccc34)[C@H](C)CC[C@@]1(C)[C@@H](C)CC[C@H]2O 2356599587 FPEXNLMEEYKYDQ-PDVISUPKSA-N 407.642 7.286 0 1 HKAF COc1cc(C)c2c(c1)CC[C@](C)(CCC=C(C)CCC=C(C)CCC=C(C)C)O2 2356630346 MLDWXXNWZJMFMZ-NDEPHWFRSA-N 410.642 8.287 0 1 HKAF CC[C@@H](C)Sc1cccc(-c2nc3ccc(Cl)cn3c2NCc2ccccc2)c1 36382343 SXDCCWYMNNTMKF-QGZVFWFLSA-N 421.997 7.157 0 3 HKAF O=C(N1CCCC[C@@H]1c1ccccc1)n1cc(-c2ccc(-c3ccccc3)cc2)nn1 198959963 UFLRPDQCFNTLJP-RUZDIDTESA-N 408.505 5.807 0 3 HKAF CCCC[C@H]1[C@H]2C[C@H](OC(=O)NCc3ccc(Cl)cc3)[C@@H](C2)[C@H]2CCCCN12 263590750 NOTRJGZXKHVWPZ-KHSAKVFQSA-N 404.982 5.388 0 3 HKAF O=C1NC(=O)[C@H](Cc2ccc(C(=O)CCc3ccc(-c4ccccc4)cc3)cc2)S1 3797165 IAAGAIJBYXGKDG-QHCPKHFHSA-N 415.514 5.063 0 1 HKAF COc1ccc(C2=NO[C@@]3(SCc4ccccc4C3=O)[C@@H]2c2ccc(C)cc2)cc1 6522695 RGWOYVCJPZGHCY-RCZVLFRGSA-N 415.514 5.348 0 1 HKAF COc1ccc(/C=C/[C@H]2CCC=C[C@H]2c2cc(OC)c(OC)cc2OC)cc1OC 13384112 UAIKPBWIUUZQGF-KZSBCKHLSA-N 410.510 5.493 0 1 HKAF COc1ccc([C@@H]2COc3c(ccc4c3C=C[C@](C)(CCC=C(C)C)O4)C2)c(O)c1 15268979 RUYCHAPZLGACHW-SIBVEZHUSA-N 406.522 6.030 0 1 HKAF biogenic O=C(O)c1ccccc1Nc1ccc(CCCc2ccc(Cl)c(Cl)c2)cc1 34230674 OHGGDIMGQRRMAX-UHFFFAOYSA-N 400.305 6.611 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)Nc1ccccc1 72142443 UADPVQVTLITCNV-KUBAVDMBSA-N 403.610 8.103 0 1 HKAF CCCCCn1c(-c2ccc(OC)cc2)nc2c(NC3CCCCCC3)ncnc21 82188544 FOGPTLBATSRHAY-UHFFFAOYSA-N 407.562 5.827 0 1 HKAF Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)C[C@H]1C=CC(C(F)(F)F)=C[C@@H]1C2 84711887 JBCFQFUXKQFWTL-VXGBXAGGSA-N 409.860 5.604 0 1 HKAF COc1cccc(OC)c1[C@@H]1C[C@H](C)CC(=O)N1Cc1ccc(OC(F)(F)F)cc1 103258898 WIJOFKNWMVOSOA-YOEHRIQHSA-N 423.431 5.102 0 1 HKAF CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=C[C@@H]3O 137554828 JVEARGBOXRHBPV-LWQOZJJOSA-N 414.674 6.382 0 1 HKAF CCN(CC)CCC[C@H](C)/N=c1\cc(-c2ccccc2)sc2ccc(Cl)cc12 169316296 HAIRYSXQKDZVOG-VKWSUVGGSA-N 413.030 6.633 0 1 HKAF CC(C)[C@H](C)/C=C\[C@H](C)[C@@H]1CC[C@@H]2C3=C([C@H](O)C[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=CC3 257531900 RJWIGXOAUROSSK-SORHHHAFSA-N 412.658 6.446 0 1 HKAF endogenous,in-man Cc1ccc2c3c(c(C(C)C)c(Cc4cccc(Cl)c4)nc13)-c1ccccc1C2=O 586992475 GEXLHNYKUIGRIV-UHFFFAOYSA-N 411.932 7.122 0 1 HKAF COc1ccc2[nH]c(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCC4)nc2n1 587031493 SCMPCQYMAFJFBW-UHFFFAOYSA-N 424.913 5.089 0 1 HKAF COc1cc(/C=C/c2nc3cc(C)c(Cl)cc3[nH]2)cc(Cl)c1OCC(C)C 587046818 MRRHDMZEPQYXAK-AATRIKPKSA-N 405.325 6.392 0 1 HKAF Fc1cc2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc2cc1-n1cccn1 587047543 KLRLRZRUSVNEPX-UHFFFAOYSA-N 423.278 6.529 0 1 HKAF Cc1cc(Cl)cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 587056911 OYEUEVBSLYVHMT-UHFFFAOYSA-N 407.684 6.671 0 1 HKAF Cc1ccc2c3c(cc(-c4cccc(N5CCCC5=O)c4)nc13)-c1ccccc1C2=O 587098382 UPPZQGULAAOBHG-UHFFFAOYSA-N 404.469 5.548 0 1 HKAF Fc1cc(C(F)(F)F)c2[nH]c([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2c1 587150629 MRRVYSRVPIXJCQ-LJQANCHMSA-N 422.328 6.167 0 1 HKAF C[C@H](Oc1ccc(F)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587169156 UPRCTHRJSURLDY-QMMMGPOBSA-N 403.173 5.623 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1 587196511 YIDMDRYEIDIGRZ-UHFFFAOYSA-N 406.313 6.216 0 1 HKAF CCCCCOc1cc2nc(/C=C\c3ccc(N)cc3)[nH]c2cc1Br 587252065 UTZBNCDEVGEEOJ-YFHOEESVSA-N 400.320 5.647 0 1 HKAF CC[C@@]1(c2c(F)cc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339313 YSCQZXZCHQSVOL-NZQKXSOJSA-N 416.370 5.613 0 1 HKAF C[C@]1(c2cnn(C3CCCC3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344270 WYTUATDMNIUJAC-ISKFKSNPSA-N 406.457 5.117 0 1 HKAF Cc1ccc([C@]2(C3CCCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587358400 XUZQKBYCXITPBS-BDYUSTAISA-N 416.492 6.284 0 1 HKAF COc1cccc(-c2cc(-c3cc4cc(F)ccc4o3)nc3c2oc2ccccc23)c1 587361045 VJKNPPSPHRLCIQ-UHFFFAOYSA-N 409.416 7.209 0 1 HKAF C[C@]1(c2ccc3nc(O)sc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587374721 PSBRLYOTGGPZAW-NZQKXSOJSA-N 421.449 5.121 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](CC13CC4CC(CC(C4)C1)C3)(c1ccccc1)O2 587402673 GHQOALKBLYNILS-VUCADHLHSA-N 401.550 6.044 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(C(C)(C)C)[nH]c4c(C)cc(Cl)cc14)[C@@H](C2)C3=O 587424168 XJFOSFVVVWNOQX-AOMKIAJQSA-N 409.913 5.925 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccccc1C(F)(F)F)CC2=O 587464348 ONGJAXIUMGFESY-NRFANRHFSA-N 415.411 5.861 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(NC(=O)c3ccc(C)cc3)c1)CC2=O 587469119 IJODGBPRUPKZCU-XMMPIXPASA-N 415.489 5.612 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCCC(=O)O)(c1c(C)cc(C)cc1C)CC2=O 587490818 RYPXMLLALILQDX-RUZDIDTESA-N 410.510 5.386 0 1 HKAF O=C1C[C@H](c2c(O)[nH]c3cc(Br)ccc23)Oc2c1ccc1c2CCCC1 587500353 WKHHDPKPBBUQFK-GOSISDBHSA-N 412.283 5.221 0 1 HKAF CCC[C@]1(c2cc(Br)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587502411 DLVRAIXGWIQZBV-JOCHJYFZSA-N 417.318 6.128 0 1 HKAF O=C1C[C@@](Cc2ccc(Cl)cc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587504858 NRIMNFPADWQUJM-SANMLTNESA-N 420.911 6.461 0 1 HKAF CCOC(=O)[C@@H](CC)[C@@]1(c2cccc(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587521002 CCDXUBLRCQRZQY-GJZUVCINSA-N 406.522 5.324 0 1 HKAF C[C@]1(c2cccc(-c3ccc(C(=O)O)cc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587530465 VITIAACYJOGQNC-HHHXNRCGSA-N 412.485 5.811 0 1 HKAF O=C1C[C@](CCc2ccccc2)(C2(O)CCCCC2)Oc2c1ccc1c2CCCC1 587533612 RRZBUSXWPLHEKY-HHHXNRCGSA-N 404.550 5.597 0 1 HKAF CC(C)CC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544060 DHVOJGMXBKMIPK-WIOPSUGQSA-N 422.908 6.339 0 1 HKAF C[C@@]1(c2cccc(C3CCC3)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587566697 ANFDJECTENZECR-OFVILXPXSA-N 404.437 5.676 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2sccc2nc1Cl 587618058 MHFOMMQZCAMICK-XLIONFOSSA-N 409.850 5.358 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(Cl)c2Cl)N1 587692677 LGYJUAQXOGJMJB-QZTNRIJFSA-N 405.094 5.224 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2cccc(C(F)(F)F)c2)N1 587712255 KFXOXOSUAZXBAB-BBATYDOGSA-N 416.256 5.599 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2OCC2CC2)N1 587727090 AHFTXRWOTQUQGU-PRWKNARSSA-N 408.286 5.140 0 1 HKAF Cc1ccc(-c2cncc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 587774619 NAJRHSHPMLFSNY-PEBXRYMYSA-N 411.318 5.582 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)C3CCCC3)cc2)N1 587818515 IIAPNQCMTIQFKZ-ASSNKEHSSA-N 416.334 5.585 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C)Cc2ccc(C(C)(C)C)cc2)N1 587819305 LQUJFSWZYGXDCE-DOQJBMMISA-N 418.394 6.340 0 1 HKAF Cc1ccc(C2(c3ccc(C)o3)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587831437 WSYUMHHXYMHTOT-LLVKDONJSA-N 404.279 5.217 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccc(O)cc12 587833976 PXWSTUCYEOSVRY-YTEVENLXSA-N 410.286 5.100 0 1 HKAF CSc1ccc([C@@]2(C(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587847677 VAPUJUVIYQDAGP-ZUOKHONESA-N 408.380 5.744 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3ccc(O)cc3)n2)N1 587850904 GEXVVZMAAVOKCE-XTZNXHDOSA-N 419.319 5.041 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(C(F)(F)F)cc1Cl 587861303 RNSPYOGLZLMYER-UHFFFAOYSA-N 420.740 6.239 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587876920 WYISTLKGHHGDPJ-UHFFFAOYSA-N 411.845 5.569 0 1 HKAF FC(F)(F)c1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2cc1Cl 587949574 HXRNHFPZBIPIBQ-KHPPLWFESA-N 414.814 7.198 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2c1 587951182 XKEAPPUPBKBKIR-QXMHVHEDSA-N 404.853 5.966 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc(/C=C(/C)C5CCCCC5)[nH]c4c3)o2)cc1 587969195 WNARPVXWIYYTCS-PEZBUJJGSA-N 414.509 6.272 0 1 HKAF C[C@H](COc1c(Cl)cccc1Cl)NCc1ccc2c(c1)C(C)(C)NC2(C)C 653753970 DEHIGXJKBDOGSO-CQSZACIVSA-N 407.385 5.624 0 1 HKAF CS(=O)(=O)c1ccc([C@H](CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl 653788004 IATYBUSZZPRTJB-KRWDZBQOSA-N 402.947 5.332 0 1 HKAF Cc1c(F)ccc2c1[C@H](CC1(NC(=O)OC(C)(C)C)CCCCCCC1)NCC2 962369844 BKKVPRQFHNPNJC-FQEVSTJZSA-N 404.570 5.719 0 1 HKAF Cc1cccc([C@@]2(c3ccccc3C)c3ccsc3CCN2Cc2cccn2C)n1 962371967 IKNYKCCYTVENHT-AREMUKBSSA-N 413.590 5.449 0 1 HKAF Clc1ccc(Cl)c(-c2ccc([C@H]3NCCc4cccc(-c5ccccc5)c43)o2)c1 962665786 QCCMZLAQTQOYMN-RUZDIDTESA-N 420.339 7.156 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@]21C[C@@H](C)CCc2ccc(Br)cc21 963259158 RSJAAASFKAHIEE-YEJXKQKISA-N 420.778 5.473 0 1 HKAF CN1CCc2c(Br)cccc2[C@@H]1[C@H](c1ccccc1)c1ccc(F)cc1 963289637 PRMDQJKYMLFXAM-DHIUTWEWSA-N 410.330 5.949 0 1 HKAF Cc1ccc([C@H]2SCCC(=O)N2CCNc2ccnc3cc(Cl)ccc23)cc1 1772580535 NVTIAVJQGRAZDR-JOCHJYFZSA-N 411.958 5.273 0 1 HKAF Cc1ccc2c(c1)C(Cc1ccccc1)=Nc1c(NC3CCCCC3)ncnc1S2 1772652261 FGTSYPCXANNDBK-UHFFFAOYSA-N 414.578 6.358 0 1 HKAF CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(O)c2)[C@H]1c1cccs1 1857551800 GMNHZJHYARGSEH-FCHUYYIVSA-N 420.534 5.029 0 1 HKAF COC(=O)c1ccc(-c2c3nc4ccccc4c-3ccn2Cc2ccc(C)cc2)cc1 1857595998 GIELMARJDBUYGV-UHFFFAOYSA-N 406.485 5.951 0 1 HKAF CC1=C[C@H](CNC(=O)C(C)(C)C)[C@@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1ccccc1 2356308744 VAUKYLRTSOUELR-YTFSRNRJSA-N 412.618 5.052 0 1 HKAF CC(C)=CCC[C@@](C)(O)[C@@H](O)CCC(C)=CCCC(C)=CCc1c[nH]c2ccccc12 2356442815 QSCZFXVTYWFEJV-WUFINQPMSA-N 423.641 7.022 0 1 HKAF CC(C)=C[C@@H]1C[C@]23[C@H](CC[C@H](C)[C@]2(C)CC[C@@](C)(O)[C@@H]3Cc2c[nH]c3ccccc23)O1 2356447588 XHGDWOIUBXSXIP-SCWDASKWSA-N 421.625 6.418 0 1 HKAF CCCCC[C@H](C=CCCCCCCCc1cc(O)cc(O)c1C(=O)O)OC(C)=O 2356632771 SBXHSSAGYGUAKV-OAQYLSRUSA-N 420.546 5.747 0 1 HKAF CCC[C@@H](C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)CC 2356658313 NLDBCFRIELDMRO-VPUBHVLGSA-N 412.702 7.945 0 1 HKAF Cc1ccc(SC[C@H](CC(C)C)N2CCN(CCc3ccccc3)CCC2=O)cc1 13661665 YRFNTVOZZFJNMD-DEOSSOPVSA-N 424.654 5.279 0 3 HKAF Cc1cc(-c2c(F)cc3/c(=N/Nc4ccccn4)ccn(C4CC4)c3c2F)cc(C)n1 1539922 YPMCPOFOFJHYDP-ZTKZIYFRSA-N 417.463 5.256 0 1 HKAF COc1cc(OC)c2c(c1)[C@@H](CCCCCC[C@H]1CC[C@@]3(CC[C@H](C)O3)O1)OC2=O 13367436 MDVWGBKYBVEXHU-FSCJKDELSA-N 418.530 5.330 0 1 HKAF Clc1ccc(Nc2cncc(-c3cncc(NCCCc4ccncc4)c3)n2)cc1 13648347 YKNBMORIVLLGGL-UHFFFAOYSA-N 416.916 5.375 0 1 HKAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC=C(C)[C@@H]2COc2ccc3ccc(=O)oc3c2)C1(C)C 14449636 XZODJQWDEJBNRO-KUZKVMKQSA-N 424.537 5.512 0 1 HKAF biogenic O=C(O)COc1cccc2c1CC[C@H](CCOC(c1ccccc1)c1ccccc1)C2 26019818 CEMBDAWWHLBIGR-HXUWFJFHSA-N 416.517 5.451 0 1 HKAF CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2ccccc2c1 26576160 YBJKLCRCWRKDPQ-UHFFFAOYSA-N 423.438 5.342 0 1 HKAF CC(C)(C)C(=O)Sc1ccc(C(F)(F)F)cc1NC(=O)C1(C)CCCCC1 26576325 FVPDPGQDWJQHPM-UHFFFAOYSA-N 401.494 6.279 0 1 HKAF CC1(C)CCC(C)(C)c2c1ccc([C@H](O)c1ccc3cc(C(=O)O)ccc3c1)c2F 26723802 KEUQZMJUCPEICZ-HSZRJFAPSA-N 406.497 6.108 0 1 HKAF CCC(=O)C(CCCCCCOc1ccc(OC(=O)c2ccccc2)cc1)C(=O)CC 39214257 JKFYNSGEJDDFAC-UHFFFAOYSA-N 424.537 5.810 0 1 HKAF C[C@@H]([C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)[C@H](O)CCC(C)(C)F 40440223 HAAJKVUMSLGIDT-AKBOQUKDSA-N 420.653 6.452 0 1 HKAF Nc1cccc(CNCc2cccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)c2)c1 45188566 UUNNICBFHCEIRP-UHFFFAOYSA-N 422.507 5.908 0 1 HKAF CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(-c3cccc(Cl)c3)ccc21 58569014 DVLRTIHPXYOHAH-VWLOTQADSA-N 409.932 6.262 0 1 HKAF Cc1ccc(OCc2ccccc2-c2nnc(SCc3cccc(C)c3)o2)cc1 64448173 GTBINMDCXOWMAA-UHFFFAOYSA-N 402.519 6.225 0 1 HKAF O=C(c1ccc(Br)cc1)N1c2ccccc2Oc2ccc(Cl)cc21 72107174 XYAOCVAGNDMQJQ-UHFFFAOYSA-N 400.659 6.187 0 1 HKAF COc1ccc(CNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)cc1 72108459 KLCAFUNHGXQEGI-COGSUIBOSA-N 419.609 6.843 0 1 HKAF CCCCCCc1ccc(CC/C(C)=C/CSC[C@H](NC(C)=O)C(=O)O)cc1 72117158 LCMPATBOQUAXJL-LXKWBGADSA-N 405.604 5.011 0 1 HKAF CCC(CC)c1ccc2c(NCCCNCc3ccc4c(c3)OCO4)ccnc2c1 72124827 NJFDSNTXFVCVAB-UHFFFAOYSA-N 405.542 5.459 0 1 HKAF O=C(Nc1ccc(-c2ccncc2)cc1)Nc1ccc(-c2ccnc3nc[nH]c23)cc1 73276583 ZAHXGOCQYQTQGH-UHFFFAOYSA-N 406.449 5.331 0 1 HKAF CCCCCn1c(-c2cccc(O)c2)nc2c(NCc3cccc(F)c3)ncnc21 82181470 PIKYMSZVYVGVRD-UHFFFAOYSA-N 405.477 5.140 0 1 HKAF F/C(=C(/c1ccccc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1 95589357 QCJPXRDVHKTAPW-RQZHXJHFSA-N 401.525 6.437 0 1 HKAF Nc1nccn2c(-c3ccc4cn[nH]c4c3)nc(-c3ccc(Oc4ccccc4)cc3)c12 96168205 OVVRTDQWZDLIEK-UHFFFAOYSA-N 418.460 5.314 0 1 HKAF CCCc1ccc(-c2ccc(CNCCCP(=O)(O)O)nc2-c2ccccc2)cc1 96174499 ZAXCJRCTTDMVOL-UHFFFAOYSA-N 424.481 5.026 0 1 HKAF COc1ccc(C(=O)CCc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1 96258447 BGVHHOIKSKAZJQ-UHFFFAOYSA-N 420.505 5.576 0 1 HKAF CN(Cc1csc(N)c1C(=O)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 96913284 VTOKZSFYIRTFHA-UHFFFAOYSA-N 424.875 5.870 0 1 HKAF O=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1)c1c(Cl)cncc1Cl 117407134 SNKYIAUGZGHVTO-UHFFFAOYSA-N 413.308 5.581 0 1 HKAF CC[C@@H](Nc1ccc(C)c([C@H](C)N2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 118395083 HNPHZIORYCGVDZ-KSFYIVLOSA-N 400.950 5.597 0 1 HKAF COc1ccccc1-c1cccc2nc(Nc3cc(OC)c(OC)c(OC)c3)oc12 138677795 XRTXYXCNVWUOKB-UHFFFAOYSA-N 406.438 5.273 0 1 HKAF Oc1ccc2c(c1)[C@@]1(c3ccc(Cl)cc3)CCN(CCc3ccccc3)[C@@H](C2)C1 169314687 GTIJRKUNOJOUDZ-OZXSUGGESA-N 403.953 5.595 0 1 HKAF CCN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1 219475276 NVIPRMJCYCQETI-UHFFFAOYSA-N 416.569 5.356 0 1 HKAF C[C@H](c1cc(F)c2ncccc2c1)n1cnc2ncc(-c3cnc4ccccc4c3)nc21 222082882 LSSAUIMYHLETTF-OAHLLOKOSA-N 420.451 5.338 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255219367 IEWLYIHXEOOXNN-RMXJHBPESA-N 402.663 6.360 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](N)C=C4C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@@]21C 299808601 WLHQSAYHIOPMMJ-MRQOFVDISA-N 401.679 6.326 0 1 HKAF Nc1ncnc2c1nc(Sc1cc(Cl)cc(Cl)c1)n2CCCC(F)(F)F 299865603 NYIZGBXCYQAVEQ-UHFFFAOYSA-N 422.263 5.209 0 1 HKAF CC(C)c1nc2ccc(O)c3c2c(c1Cc1ccc(Cl)cc1)-c1ccccc1C3=O 586984868 BSUYRMUZMDGCBL-UHFFFAOYSA-N 413.904 6.519 0 1 HKAF CCCCCOc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586989467 KBKOEHCZMNLERN-UHFFFAOYSA-N 409.485 6.388 0 1 HKAF Cc1ccc2c(ccc3nc(/C=C\c4cc(Br)c5c(c4)OCCO5)[nH]c32)n1 587000584 IAGBXNMNANDBHT-CLTKARDFSA-N 422.282 5.124 0 1 HKAF CC(C)Oc1ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c1 587015925 YQQKBXZZPCASJG-UHFFFAOYSA-N 404.322 6.447 0 1 HKAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cnc(Cl)[nH]c-2n1 587018586 IVVXMSOUBZYZDQ-UHFFFAOYSA-N 424.744 5.714 0 1 HKAF Fc1cc2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2cc1-n1cccn1 587063166 GPQBEYZKYHGZKN-UHFFFAOYSA-N 418.859 5.787 0 1 HKAF Cc1nc2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc2cc1Br 587074798 ZQIKGUUWGAATON-MRXNPFEDSA-N 405.727 5.019 0 1 HKAF COc1ccc2cc(-c3nc4c(C)ccc5c4c(c3C)-c3ccccc3C5=O)ccc2c1 587098224 QAUAXVHDYZGMCO-UHFFFAOYSA-N 415.492 6.892 0 1 HKAF Cc1ccc2c(ccc3nc(-c4cc5cc(OC(F)(F)F)ccc5nc4C)[nH]c32)n1 587121992 OTEDHWKXXCZYMH-UHFFFAOYSA-N 408.383 5.842 0 1 HKAF COC(=O)c1ccc(Oc2ccc3[nH]c(-c4ccc(OC(F)F)cc4)nc3c2)cc1 587130624 NGUVUMRKWNMMFI-UHFFFAOYSA-N 410.376 5.410 0 1 HKAF O=C(c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133602 VPMWKLCEKPPBPQ-UHFFFAOYSA-N 411.569 5.912 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc2c1 587150962 VMDVMKSOAVTKTB-LJQANCHMSA-N 409.848 5.344 0 1 HKAF Fc1ccccc1-c1cccc(-c2nc3cccc(I)c3[nH]2)c1 587153437 RHVOOWBWCLKDNI-UHFFFAOYSA-N 414.221 5.641 0 1 HKAF CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccccc4[nH]3)c12 587168666 LHGCPHYKEUVFJA-UHFFFAOYSA-N 411.484 6.104 0 1 HKAF FC(F)(F)Sc1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 587196265 POSOYMTXLZFDCV-UHFFFAOYSA-N 413.468 6.382 0 1 HKAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587201501 PCXYVNZXVFFWGI-UHFFFAOYSA-N 401.429 5.042 0 1 HKAF Clc1cc(Br)c2[nH]c(-c3cccnc3NCc3ccccc3)nc2c1 587230690 XDIMWEZSINHRPL-UHFFFAOYSA-N 413.706 5.653 0 1 HKAF COc1cccc(-c2cc(-c3cc(F)c(F)cc3Cl)nc3c2oc2ccccc23)c1 587360121 MGBLSTFMNOORCI-UHFFFAOYSA-N 421.830 7.255 0 1 HKAF COc1cccc(-c2cc(-c3ccc(OC)nc3OC)nc3c2oc2ccccc23)c1 587363063 LNUWAZDROIITQT-UHFFFAOYSA-N 412.445 5.736 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](Cc2ccccc2)CC3)c1 587366848 NMQABRZONIVQGF-HXUWFJFHSA-N 419.524 7.004 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3nc(-c4ccc(Cl)cc4)sc31)O2 587415833 YTZROPXQHPLSDV-JOCHJYFZSA-N 410.926 5.551 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1O)(c1ccccc1Cl)[C@@H](C2)C3=O 587422218 XOPOSNRKFBRSJC-MHECFPHRSA-N 406.865 5.054 0 1 HKAF CCCOc1c(Cl)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587498929 QTUZEYXQTDPTDU-HXUWFJFHSA-N 400.902 5.723 0 1 HKAF O=C1C[C@H](c2cc(Cl)cc(Br)c2O)Oc2c1ccc1c2CCCC1 587499840 PMWAWFYCAPMLLS-QGZVFWFLSA-N 407.691 5.393 0 1 HKAF Cc1ccc(-c2nc(C)c([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1 587533579 XNCTWGZUYHGCQM-VWLOTQADSA-N 403.547 6.186 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(Cl)c(Cl)c1 587541894 GOPKBDPFXPTEJU-UZLBHIALSA-N 421.663 6.055 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1C(F)(F)F 587542741 AZTRRKIMSWXFIF-PXNSSMCTSA-N 420.770 5.767 0 1 HKAF CC[C@]1(c2cc(F)c(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587556276 JCMQPCYHAGJKGD-SIKLNZKXSA-N 400.352 5.077 0 1 HKAF CC(C)[C@@]1(c2cccc(Cl)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570774 YGQHTLYMMDNRKE-XXBNENTESA-N 412.844 5.698 0 1 HKAF Cc1cccc(Br)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587677877 MIBPCEFTDZZLJH-QGHHPUGFSA-N 413.128 5.283 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccc(C(F)(F)F)cc2)N1 587710526 DISTZYFBZFYLHV-VOJFVSQTSA-N 416.256 5.815 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)cccc2C(F)(F)F)N1 587714667 WLJAWMVUXPBBJY-XYZCENFISA-N 420.219 5.544 0 1 HKAF COc1ccc2cccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587808004 MPIGOINAYXNNJD-WHEQGISXSA-N 414.318 5.548 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)Cc2ccccc2-3)N1 587814402 HQDUOZXMFDZBRA-BSEYFRJRSA-N 422.341 5.957 0 1 HKAF COc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1SC 587843538 ISJAYLVBAFXELU-NSPYISDASA-N 410.352 5.116 0 1 HKAF Cc1oc(-c2cccs2)nc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587851769 JJADWHADZVMQEH-XYZCENFISA-N 407.308 5.237 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ccsc3)n2)N1 587853874 SDYYTDLNAMOMTE-FVMDXXJSSA-N 409.349 5.397 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(C)c(C)c1 587857850 ASQFQMKKPNXTKH-UHFFFAOYSA-N 419.308 5.592 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1cccc2ccccc12 587867473 FPQBTAMISMQXAD-UHFFFAOYSA-N 411.383 5.009 0 1 HKAF O=C(c1ccc(COc2ccccc2Cl)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587874169 REKYALASVNLRQZ-UHFFFAOYSA-N 420.827 5.716 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3ccc4c(c3)CCO4)n2)cc1 587923585 YBRXUEQBTLUAOV-UHFFFAOYSA-N 412.489 6.699 0 1 HKAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@@]2(c1ccccc1Cl)C1CCC1 962721523 VTMTZAXOACXUEP-SBUREZEXSA-N 401.978 5.886 0 1 HKAF COc1ccc2c(c1)[C@H](c1ccc(-c3ccc4c(c3)OCCCO4)cc1)N[C@@H]1CC[C@@H]21 962991698 DZGQWOGLXXNKDP-LLGBQNBKSA-N 413.517 5.462 0 1 HKAF C[C@H](NC(=O)C1CC1)c1ccc(CN2CCc3cc(OCCC4CC4)ccc3C2)cc1 1772581687 FSVNOBNRWBOLHT-IBGZPJMESA-N 418.581 5.011 0 1 HKAF FC(F)(F)c1ccnc(Nc2cc(-c3ccccc3)cc(N3CCCOCC3)c2)n1 1772611209 JUVGYGCGKGWWEL-UHFFFAOYSA-N 414.431 5.133 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1ccc2nc(=N)[nH]cc2c1 1857629607 MZQPBUUXFDSNIV-VRPROWQSSA-N 417.597 5.450 0 1 HKAF COc1ccc(OC)c2c1C[C@@H]1c3cc(Cc4ccc(F)cc4)sc3CCN1C2 1857652954 AKYSVIJWRUUIAO-OAQYLSRUSA-N 409.526 5.151 0 1 HKAF CC(C)c1onc(-c2ccccc2Cl)c1COc1ccc(CCCC(=O)O)cc1 1911575130 VLTXEUCGBCOLBD-UHFFFAOYSA-N 413.901 6.105 0 1 HKAF CCOC(=O)c1cc(-c2cn(Cc3cccc4ccccc34)cc2-c2ccccc2)[nH]n1 1911585599 USUOVFZYDNQPFI-UHFFFAOYSA-N 421.500 5.923 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@]1(C)CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356412664 XIGODNYMZQPETQ-NYTUEYAZSA-N 410.686 7.721 0 1 HKAF CC(=O)O[C@@H]1CC[C@@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)C=CCC(C)C)CC[C@H]32)C1 2356706800 UCACJVAPKGZMLE-BKDJHAOOSA-N 414.674 7.425 0 1 HKAF CC(C)=C(CCO)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4CCCC[C@]4(C)[C@H]3CC[C@@]21C 2356843490 NMISAXIZQLWBQM-JPSQBLPNSA-N 412.702 8.091 0 1 HKAF Cc1ccc(-c2nc3cc(C)c(Br)c(C)n3c2Cc2ccsc2)cc1 95570652 REPSZMOOAKVTKJ-UHFFFAOYSA-N 411.368 6.341 0 3 HKAF Clc1ccccc1CO[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 1534342 MCBFENXHBLXDFW-SVBPBHIXSA-N 417.980 6.152 0 1 HKAF CCC(=O)[C@H]([C@@H](C)/C=C/CCSc1ccccc1)[C@H](O)CCCCCC(=O)OC 5842150 NLKNRIQOWCDPRF-ITCGBFIJSA-N 420.615 5.441 0 1 HKAF COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(Cc5ccccc5)c34)O[C@H]21 13474872 ZNDQFSMTECRSAH-HHHXNRCGSA-N 410.517 5.525 0 1 HKAF CC1(C)C=C([C@@]23C=C[C@@H](C2)[C@H]2C(=C4CC(C)(C)NC(C)(C)C4)C=C[C@H]23)CC(C)(C)N1 13562428 YPNNEKSEHNACRE-IKOUWSNPSA-N 406.658 6.079 0 1 HKAF Cc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(S(C)(=O)=O)cc3)c(=O)o2)cc1 13581286 KIVVXWMWIFIXDF-UHFFFAOYSA-N 416.498 5.353 0 1 HKAF COc1ccc(N2C(=O)[C@@H](CCCc3ccccc3)[C@H]2c2ccc3c(c2)OCO3)cc1 13604455 RZAKQIKRELCZEZ-WIOPSUGQSA-N 415.489 5.151 0 1 HKAF Cc1c2c(cc3occc13)[C@]1(C)CCCC(C)(C)[C@]1(O)[C@@H](OC(=O)c1ccccc1)C2 14883761 IEHCQOHUOBIHHN-MSLLRLGPSA-N 418.533 5.722 0 1 HKAF biogenic COc1ccc2c(c1CC=C(C)C)O[C@H]1c3cc4c(cc3OC[C@]21O)OC(C)(C)C=C4 15203521 KSXMILLEKYOTIP-AHWVRZQESA-N 420.505 5.102 0 1 HKAF biogenic CN(CCCOc1ccccc1[C@H]1Sc2ccccc2N1C=O)C1CCCCC1 28086819 GKNHNCVXBFGVAK-XMMPIXPASA-N 410.583 5.487 0 1 HKAF COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1ccc(Cl)cc1)C(F)(F)F 28568080 AGGMHZBJHNUETP-LJQANCHMSA-N 404.831 5.692 0 1 HKAF CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccc(OC)cc4)c3c2C)cc1 28569233 YDEKYTCSONXUJW-UHFFFAOYSA-N 416.525 5.365 0 1 HKAF Cc1ccc(C[C@H]2CO[C@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 28768345 BGORGGDNYKIBTJ-RXVVDRJESA-N 403.309 5.009 0 1 HKAF CCCC(=C(c1ccc(OC(C)=O)cc1)c1ccc(OC(C)=O)cc1)c1ccccc1 29318379 NOSDMOAFUBABHJ-UHFFFAOYSA-N 414.501 6.296 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)C3=CC[C@@]21C)C(C)C 34551236 ZWTPQWMZKRJCAT-FZQCVCNLSA-N 412.702 8.233 0 1 HKAF Cc1cc2c(c(=O)n1-c1ccccc1)[C@H]1O[C@](c3ccsc3)(Cc3ccccc31)O2 36379201 GVHLKMUGQOJKTH-ZCYQVOJMSA-N 413.498 5.115 0 1 HKAF Cc1noc([C@H]2[C@@H](c3ccc(Cl)cc3)C[C@@H]3CC[C@H]2N3C)c1-c1ccc(F)cc1 40394510 LVGMRPXHULTKRI-GNXKAVGDSA-N 410.920 6.176 0 1 HKAF CC(C)CN1CCc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O 40411434 WRYHYMZLAAULED-UHFFFAOYSA-N 414.336 5.500 0 1 HKAF CCN(CC)CCNc1nc2c(Nc3cccc(OC)c3)c3ccccc3nc2s1 40877630 VPZAZVQBNDIPFJ-UHFFFAOYSA-N 421.570 5.350 0 1 HKAF CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(C(C)(C)C)cc4)[nH]c3c2)ccn1 40896431 DHMFGGZSCPEWEE-UHFFFAOYSA-N 415.497 5.151 0 1 HKAF COc1cc2ncnc(Oc3cccc(NC(=O)Nc4ccccc4)c3)c2cc1OC 64436930 XMINJNABOBQTEQ-UHFFFAOYSA-N 416.437 5.083 0 1 HKAF CC(C)(C[C@](O)(CNc1cccc2ccccc12)C(F)(F)F)c1cc(F)ccc1O 64540899 LCQARUZGGLOLJC-QFIPXVFZSA-N 421.434 5.758 0 1 HKAF COc1ccc(CNc2ccc(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)cc2)cc1OC 64549679 LPLYQFGBWIHNGM-FCHUYYIVSA-N 421.924 5.956 0 1 HKAF Cc1noc(C)c1-c1ccc(-c2nnc(C3(c4ccc(Cl)cc4)CCC3)n2C)cc1 71315951 ZDDWKCLVBKVFGA-UHFFFAOYSA-N 418.928 5.877 0 1 HKAF COc1ccccc1Oc1ccc2c(NCCCNCc3ccco3)ccnc2c1 72124617 XGEIVJJDAKGRLA-UHFFFAOYSA-N 403.482 5.221 0 1 HKAF Cc1nsc(-c2ccc(Nc3nc4c(s3)CCC[C@@H]4c3ccccc3)cc2)n1 73157296 ZXQCCIHUTQZQLB-GOSISDBHSA-N 404.564 6.182 0 1 HKAF Cc1nc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccc(F)cc2)sc1C 82164059 KBRXIYHOCIQLEO-UHFFFAOYSA-N 422.504 5.817 0 1 HKAF CC[C@@H](C)Cn1c(C2CCCCC2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82185027 MOTWLSDPNNLIIE-MRXNPFEDSA-N 411.981 6.186 0 1 HKAF C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@]43C)[C@@H]2[C@@H]1C 85979247 DIFWJJFSELKWGA-ADCQCQJOSA-N 424.713 8.233 0 1 HKAF in-man CO[C@@H]1Cc2c(-c3ccccc3)csc2C2(CCN(Cc3ccccc3)CC2)O1 95555802 UUXBZLRYIRHKPX-QHCPKHFHSA-N 405.563 5.452 0 1 HKAF C[C@@](O)(c1ccccc1)c1ccc(-c2nc(C3CCC3)n3ccnc(N)c23)cc1Cl 96168363 YLZYFSPDSGZBPY-XMMPIXPASA-N 418.928 5.155 0 1 HKAF CC(C)CCNCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 96173998 HZJOCUQIIWTKOE-UHFFFAOYSA-N 410.525 5.189 0 1 HKAF CC(C)N(Cc1c[nH]c2ncccc12)C(=O)Nc1ccc(SC(F)(F)F)cc1 103245016 RRVACAXLPPVGMU-UHFFFAOYSA-N 408.449 5.617 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137640727 IGLXIHMNQDKKLE-ZMBKPABQSA-N 416.690 6.606 0 1 HKAF COc1ccc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)nc1 139665558 ANBUNECBLHRAMJ-UHFFFAOYSA-N 422.444 5.052 0 1 HKAF CCCCCCCCS(=O)(=O)Nc1cc(-c2cccc(Cl)c2)ccc1C(=O)O 143687783 ZXIRVLBWOLVGON-UHFFFAOYSA-N 423.962 5.807 0 1 HKAF CCCCc1cc2ccccc2c(Oc2ccc(/C=C\C(=O)O)cc2)c1-c1ccccc1 148866307 LYWRTXURSKLWCG-MNDPQUGUSA-N 422.524 7.740 0 1 HKAF in-vitro CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C(=O)SC(C)(C)C)CC[C@@H]4[C@@H]3CC[C@@H]12 169367884 ZTCPRLTVZUYVAK-OTTOILDPSA-N 405.648 5.524 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 255285018 YQQOGXLLGWWKQH-FPSVDCNLSA-N 414.718 8.169 0 1 HKAF CC1=C2C3=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]4(C)[C@]3(C)CC[C@@]2(C)CC[C@@H]1C 257472502 LGVXVLHBYPSFGC-BSELRROMSA-N 424.713 8.089 0 1 HKAF endogenous,in-man Cc1cc(F)ccc1-c1c(Oc2ccc(/C=C/C(=O)O)cc2)c2ccccc2oc1=O 299851571 GUTYUCQVLRHHTF-MDWZMJQESA-N 416.404 5.798 0 1 HKAF OCCCCCCCCCCCc1nc2cc(Cl)cc(Br)c2[nH]1 586894738 SIGQSRLIRMXKQU-UHFFFAOYSA-N 401.776 6.025 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 586918610 ZFJQTKHMNVTACH-FQRUVTKNSA-N 412.489 5.358 0 1 HKAF Cc1ccc2c3c(cc(Cc4ccccc4Br)nc13)-c1ccccc1C2=O 586993792 PBQLINGVWOBCHZ-UHFFFAOYSA-N 414.302 6.108 0 1 HKAF Cc1nn(-c2cccc(-c3nc4cccc(Br)c4[nH]3)c2)c(C)c1Cl 587064511 CCLTWLYUAMOKRU-UHFFFAOYSA-N 401.695 5.448 0 1 HKAF Nc1ncnc2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc12 587077863 YUZSMDJBFWCZGK-SDNWHVSQSA-N 424.895 5.291 0 1 HKAF Clc1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2cc1Cl 587080499 DNYYDGKSNFOAIJ-UHFFFAOYSA-N 414.683 5.900 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1nn(-c3ccccc3)nc1CC4)-c1ccccc1C2=O 587097709 PXHNCZMAXCBODQ-UHFFFAOYSA-N 414.468 5.101 0 1 HKAF Cc1ccc2c3c(c(CC4OCCCO4)c(-c4ccccc4)nc13)-c1ccccc1C2=O 587101174 KGFDJOQIGMJDRU-UHFFFAOYSA-N 421.496 5.727 0 1 HKAF O=C1c2ccccc2-c2c(Cc3cccc(F)c3C(F)(F)F)cnc3cccc1c23 587103647 MLPDQQIUABPWLW-UHFFFAOYSA-N 407.366 6.195 0 1 HKAF Cc1nc(-c2ccccc2F)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103979 PDWJQQOFJDVUFQ-UHFFFAOYSA-N 422.484 6.684 0 1 HKAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587114313 YRNFGWFDSYJSIT-QGZVFWFLSA-N 416.230 5.288 0 1 HKAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587149239 IXPPWWJEXCLCCR-SFHVURJKSA-N 419.809 6.576 0 1 HKAF CC(C)(C)C[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338089 SVTNLSSUAOSHLB-OZXSUGGESA-N 422.471 6.361 0 1 HKAF Cc1ccc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 587344242 MAMIAJSBCQAREV-DEOSSOPVSA-N 417.480 5.238 0 1 HKAF CCc1nc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2o1 587348356 RKVATMZCDCLCJJ-DHLKQENFSA-N 417.436 5.509 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCc3cnc(Cl)s3)cc1)O2 587412733 KKLFONRCLFGGHJ-OAQYLSRUSA-N 414.914 5.147 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccccc1Oc1ccc(F)cc1Cl)[C@@H](C2)C3=O 587428838 QPQXNVYEEFFKJN-QMHKHESXSA-N 410.828 5.769 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-n3cnc4ccccc43)cc1)CC2=O 587477944 WNZSCTYKJPJSBX-AREMUKBSSA-N 412.489 5.564 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)([C@H](C(=O)OCC)C(C)C)CC2=O 587481509 NACPACADFOBPHM-JYFHCDHNSA-N 424.537 5.127 0 1 HKAF O=C1C[C@H](c2ccc(I)cc2F)Oc2c1ccc1c2CCCC1 587504632 KJUZGPDLHMAWNX-GOSISDBHSA-N 422.237 5.016 0 1 HKAF O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H]1CCC[C@H]2CN(Cc2ccccc2)C1 587518276 DVMLELUBTZDRNG-VXKWHMMOSA-N 401.550 5.202 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CC1CC1)c1ccc(Cl)cc1 587549677 SPXKQDNAQCNBJT-URXFXBBRSA-N 406.865 5.703 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CN2CCCCC2)s1 587615098 VQJJRFITNAQGKZ-URXFXBBRSA-N 421.518 5.143 0 1 HKAF COc1cccc2cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)oc12 587616164 IYNIVBGRWIEMME-YKSBVNFPSA-N 402.402 5.024 0 1 HKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc2cc(Cl)ccc2s1 587662411 KPOYLSNJZMNTES-UHFFFAOYSA-N 407.857 5.455 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)ccc2Cl)N1 587698154 YIUGFDCITQEFTP-NSPYISDASA-N 410.758 6.163 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(Cl)cc2)N1 587701616 VICZHRIAWCMPPR-ODXCJYRJSA-N 419.725 5.656 0 1 HKAF Cc1cccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587709350 LHGQXVBVPDFGHF-GTNSWQLSSA-N 402.229 5.237 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(C(F)(F)F)c2)N1 587714095 UQQAYRUSDVUBII-BCTVWOGZSA-N 406.192 5.370 0 1 HKAF CCCCn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587758532 QNAIOSADKHCENZ-PEBXRYMYSA-N 415.350 5.967 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)OC(C)(C)C)cc2)N1 587793373 NRMTYVUZUNVRBF-HXPMCKFVSA-N 420.322 5.167 0 1 HKAF COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC(C)C 587793859 NVJWUPCWIBGQOR-HXPMCKFVSA-N 408.311 5.008 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2C(c2cccs2)(c2cccs2)N1 587850213 CVWKSKUOLVYXSI-NSHDSACASA-N 408.361 5.537 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccs3)cc2)N1 587852851 NOTQQIKRUMBUJH-MPBGBICISA-N 402.332 5.940 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncc(C(F)(F)F)cc1Cl 587860647 BENHAPZJPQKNFG-UHFFFAOYSA-N 421.728 5.634 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCCc1cccs1 587867200 UOZMGJACDFPNSJ-UHFFFAOYSA-N 408.445 5.692 0 1 HKAF Fc1ccc(Cc2ncc(-n3c(-c4cccs4)ccc3-c3cccs3)cn2)cc1 587944960 BPSOHRDAFUNQHK-UHFFFAOYSA-N 417.534 6.454 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cnncc2[nH]1 587958178 BHRPUWJQYGBNDT-WWMAXSSBSA-N 404.602 7.207 0 1 HKAF Clc1cccc(Cl)c1[C@]1(C2CC2)c2ccsc2CCN1Cc1ccco1 962707923 POBCSVBAJNDBRB-NRFANRHFSA-N 404.362 6.360 0 1 HKAF Cc1cccnc1[C@@]1(c2c(C)cccc2C)c2ccsc2CCN1Cc1ccco1 962710470 LLTVRQXGELDGJT-SANMLTNESA-N 414.574 6.012 0 1 HKAF Cc1ccnc([C@]2(c3ccc(C(C)C)cc3)c3c(F)cccc3C[C@@H]3CCCN32)c1 963104699 IICUEGMDZADBMV-WNCULLNHSA-N 400.541 5.965 0 1 HKAF COCOc1cccc([C@]2(c3ccc(Cl)cc3)NCCc3cc(Cl)ccc32)c1 963382031 ZEZMQKMNFAFRQX-QHCPKHFHSA-N 414.332 5.414 0 1 HKAF CO[C@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@H]12 1772590316 FXNFUBOXADYMRJ-ZQMFMVRBSA-N 406.607 5.132 0 1 HKAF COc1ccc(C(F)(F)F)cc1-c1cccc([C@H](CC(=O)O)c2nccs2)c1 1772614864 XCRZVBUSYCJTMH-INIZCTEOSA-N 407.413 5.444 0 1 HKAF COc1ccc(CN=c2[nH]n(C3CCCC3)c3ccc(C(F)(F)F)cc23)cc1Cl 1857545922 GGHHCCPCINLFFA-UHFFFAOYSA-N 423.866 5.866 0 1 HKAF Cc1c(CN2CCOCC2)cc(-c2ccc(C(F)(F)F)cc2)n1C1CCCCC1 1857773813 AOAMFURDSJNOCT-UHFFFAOYSA-N 406.492 5.820 0 1 HKAF C[C@@H](C=C[C@@H](C)[C@H](C)CO)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356421361 HCQKGAYOZHKURE-KQENEPDYSA-N 412.658 6.591 0 1 HKAF COc1cc(CCc2ccccc2)c(C(=O)O)c(O)c1CC[C@@H](C)CCC=C(C)C 2356528622 BGYWMHFOMULQIA-IBGZPJMESA-N 410.554 6.199 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]45C[C@H](O)CC[C@@]4(C5)C3=CC[C@@]12C)C(C)C 2356629791 QECYIHDHCKWWPU-GXPQFBBNSA-N 424.713 7.945 0 1 HKAF COc1ccccc1C(=O)C[C@@H](CC(=O)c1ccc(F)cc1)c1cccc(C(=O)O)c1 601122 KFFBWUSSQAHYHR-LJQANCHMSA-N 420.436 5.162 0 1 HKAF CC(=O)O[C@H]1/C=C(\C)[C@H](OC(=O)c2ccc(O)cc2)C/C=C(\C)CCCC1(C)C 5382319 YUURXLYREVDXOP-PRTHMMDGSA-N 400.515 5.342 0 1 HKAF CC(=O)N[C@@H](c1ccccc1)[C@]1(C)C[C@H]1[C@@H](C)C(=O)Nc1ccc2ccccc2c1 6202026 CYCMCGJPKRYQDF-PCWBSFAKSA-N 400.522 5.318 0 1 HKAF Cc1ccc(SC(=O)N2C(=S)N=C(NC3CCCCC3)C23CCCCC3)cc1 6487646 YDTXDAOLZRSJIJ-UHFFFAOYSA-N 415.628 5.831 0 1 HKAF O=C(c1ccc2nc(N3CCCCC3)sc2c1)N1CCC(Cc2ccccc2)CC1 6806270 QNGALYYKKITMQD-UHFFFAOYSA-N 419.594 5.382 0 1 HKAF COc1ccc(C(=O)Oc2ccc3[nH]c(C(=O)c4cc5ccccc5[nH]4)cc3c2)cc1 13472548 VXMZSTNSIWVTAF-UHFFFAOYSA-N 410.429 5.108 0 1 HKAF Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 13493979 XNPXCWOQSAQIEL-UHFFFAOYSA-N 403.541 6.234 0 1 HKAF CC(C)=CCC/C(C)=C/C=C/C1=C[C@]2(C)C[C@@]1(C)[C@@H](/C=C(\C)CCC=C(C)C)CC2=O 13783085 XWYRFBXKAWNVEG-FSRONCCBSA-N 420.681 8.860 0 1 HKAF CCc1oc([C@H](C)C(=O)[C@@H](C)c2oc(CC(C)C)c(C)c(=O)c2C)c(C)c(=O)c1C 14587453 FNFUWLSRKIARQE-QZTJIDSGSA-N 414.542 5.064 0 1 HKAF biogenic Oc1c(Br)cc(Br)cc1-c1nc2cc(Cl)ccc2[nH]1 26184701 NYBLUKFVTDHSMK-UHFFFAOYSA-N 402.473 5.114 0 1 HKAF COc1ccc(CCN2CCC[C@@H](COC(c3ccccc3)c3ccccc3)C2)cc1 27194577 AUEOAWWFYNPUPM-XMMPIXPASA-N 415.577 5.756 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](C)C[C@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 27303103 DHZJVHCWDITFSE-BSEJPUPFSA-N 401.679 6.832 0 1 HKAF CCC(CC)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)OC3CCCCC3)CN(C)[C@@H]1C2 27518698 SKNWFEHTHVXKSX-HFRGRHLUSA-N 422.613 5.838 0 1 HKAF CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccccn1 28380556 SZLCWZBMRBBRBF-UHFFFAOYSA-N 419.259 5.564 0 1 HKAF C=C1/C(=C\C=C2/CCC[C@@]3(CO)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@@H]1O 33820672 VCIZCIQUIKJJNV-LZKAOUBJSA-N 416.646 5.562 0 1 HKAF CN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)c1cccc(C(F)(F)F)c1 35190740 IPPAIAFONFCYEN-UHFFFAOYSA-N 421.850 5.481 0 1 HKAF Cc1ccc(CN(C)CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1C 42889966 PLKRKVAOUCSGBL-UHFFFAOYSA-N 414.568 6.841 0 1 HKAF CCCCCCN1CCCN(Cc2ccc(C(=O)Nc3cccc(CC)c3)cc2)CC1 45193301 QOSUVQMTEZMHRC-UHFFFAOYSA-N 421.629 5.589 0 1 HKAF COc1ccc(Cn2c([C@H]3CCCN(C4CCCCC4)C3)nc3ccccc32)cc1 49070559 YLEDBIZRBVHBJQ-NRFANRHFSA-N 403.570 5.605 0 1 HKAF CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccccc1)c1ccc(-c2ccc(O)cc2)cc1F 62146759 QSQRGPNATDSYJG-QQSVUBKYSA-N 417.524 6.496 0 1 HKAF CCc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2c2nc(Cl)cc(Cl)n2)cc1 64633922 DMRGZVLKCVGCLG-JOCHJYFZSA-N 423.347 5.979 0 1 HKAF C[n+]1cc(N(CCCCCC2CCCCC2)c2ccc(Cl)cc2)cc2ccccc21 66166522 RYURFZGQLDYQMS-UHFFFAOYSA-N 422.036 7.597 0 1 HKAF CN1C(=O)[C@H](c2ccccc2)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 66252190 RXVFRMXAXTXYKU-FQEVSTJZSA-N 410.395 5.130 0 1 HKAF in-vivo CC[C@H](C)Cn1c(C2CCCCC2)nc2c(NCCc3ccccc3F)ncnc21 82180797 KFLWOJINQYODEN-KRWDZBQOSA-N 409.553 5.714 0 1 HKAF C/C(=C\CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1)CC/C=C(\C)CCC(=O)O 85588796 QRIWRFHSVDRBRJ-LNRRRGPJSA-N 400.559 6.411 0 1 HKAF endogenous,in-man c1ccc2c(c1)c1c(n2Cc2ccc(Cn3c4c(c5ccccc53)CCC4)cc2)CCC1 95590384 BNHWRSBSILXSEH-UHFFFAOYSA-N 416.568 6.670 0 1 HKAF Nc1nccn2c(C3CCC3)nc(-c3ccc(Oc4cccc(C(F)(F)F)c4)cc3)c12 96168220 HMQAXEVJAVKFGT-UHFFFAOYSA-N 424.426 6.057 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-c2csc(C)n2)c1 98176762 NJMICVQAQQXLQH-HXUWFJFHSA-N 422.550 5.390 0 1 HKAF CC1(C)[C@H]2C[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2/C=C/[C@H](O)COc1ccc(F)cc1 101343820 FBOACMAKXADYFB-NKPXZCJBSA-N 416.533 5.231 0 1 HKAF Cc1ccc2nc(-c3ccccc3N3C(=O)CS[C@@H]3c3cccc(O)c3)[nH]c2c1 103208344 ILMNLWSVQMQONB-HSZRJFAPSA-N 401.491 5.023 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C 136411833 VRDLZINLAAZCHM-MXYSYMCHSA-N 410.730 10.605 0 1 HKAF COc1cc(C)c2[nH]c(=O)c3sccc3c2c1-c1ccc([C@@H](CN)C(C)C)c(F)c1 165032061 GOJKTBGMQIQPEP-KRWDZBQOSA-N 424.541 5.564 0 1 HKAF COc1cc(Nc2nc3cccc(-c4cccc5cn[nH]c45)c3o2)cc(OC)c1OC 169328960 LCVZRKFDNWPBET-UHFFFAOYSA-N 416.437 5.141 0 1 HKAF CC(C)CCC[C@@H](C)/C=C\C[C@H](C)CCCC/C=C\CC/C=C\CCCC(=O)O 169636544 PRGDQWKNVBYEKH-AMWNYLNXSA-N 404.679 8.739 0 1 HKAF Clc1cccc(Nc2nc(Nc3ccccc3Cl)ncc2Br)c1 203004743 IBRIXFHOUMRVGJ-UHFFFAOYSA-N 410.102 6.033 0 1 HKAF O=C(CC1CCC1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 261075932 AWTSHTNAYPKBLJ-JKIUYZKVSA-N 424.629 5.056 0 1 HKAF CC(C)CCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 261088699 DBHSOMRLOFZXDC-AFARHQOCSA-N 424.629 6.114 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)cc2)o1 586903140 MBPCDTYPMMGHDC-UHFFFAOYSA-N 421.216 6.580 0 1 HKAF O=C1CCc2cc3[nH]c(-c4ccc(OCc5cccc(Cl)c5)cc4)nc3cc2N1 587071467 NKBQBXUDBAYBSH-UHFFFAOYSA-N 403.869 5.347 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587073892 NLOVGRNRMABKID-UHFFFAOYSA-N 402.860 6.184 0 1 HKAF O=C1c2ccccc2-c2c(Cc3cc(F)ccc3Br)cnc3cccc1c23 587103234 IVSFCNILTHLDFN-UHFFFAOYSA-N 418.265 5.939 0 1 HKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)c(F)cc2[nH]1 587113051 JKBJAASWSGECSH-VIFPVBQESA-N 401.201 5.830 0 1 HKAF COc1ccc(C(=O)c2ccccc2-c2nc3cccc(C(C)(C)C)c3[nH]2)cc1F 587143617 BBTBJLFUMOUYSN-UHFFFAOYSA-N 402.469 5.906 0 1 HKAF Cc1cc2[nH]c(-c3ccc(Oc4ccc(F)cc4Br)nc3)nc2c(C)n1 587161063 LWKMUEHDQDFPAG-UHFFFAOYSA-N 413.250 5.331 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)C(C)(C)C 587203319 FFVIUHPRQJXBPT-CQSZACIVSA-N 417.497 5.657 0 1 HKAF C[C@@]1(c2cc(F)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331522 HOLZDTWTFIWHNI-IRLDBZIGSA-N 400.808 5.598 0 1 HKAF COC(=O)CCCC[C@H](C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346951 CTNWYWDRRYKARF-BQNIGPCOSA-N 414.473 5.018 0 1 HKAF COc1ccc([C@H](C)[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587352011 NSOPZULWKGRLTB-DSZWUSLFSA-N 406.453 5.461 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2[nH]c4ccc(C)cc4c2C3)c1 587364135 XPRVAEAOMFENTP-UHFFFAOYSA-N 416.480 7.018 0 1 HKAF CCCCN(CCCC)c1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587467180 DMWGYSHNSLFWRU-RUZDIDTESA-N 409.570 6.458 0 1 HKAF CC(C)[C@]1(c2ccc(C3CCCCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587520655 BBZUNMNJWZYESB-NDEPHWFRSA-N 402.578 7.130 0 1 HKAF Cc1ccc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587540359 NUEPCUYLTSKOJJ-RXVVDRJESA-N 411.251 5.166 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(C(F)(F)F)cc1 587655299 AXTAZKJLYKWUFT-UHFFFAOYSA-N 402.322 5.350 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Cl)c2)(C(F)(F)F)N1 587711995 ZAODKWCNKYBNEJ-XXFAHNHDSA-N 422.647 5.582 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(F)c2)N1 587725317 PJVGXDRSYGFUAS-PWJLMRLQSA-N 417.091 5.113 0 1 HKAF C[C@@H](C[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)c1cn(C)c2ccccc12 587760655 ZSNNPVBZFUMEKF-PXIJXODZSA-N 415.350 5.849 0 1 HKAF CCOc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCC)c1 587801538 LKVGLYKFQZFOHU-LRTDBIEQSA-N 422.338 5.183 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2CCCCC2=O)N1 587818794 FNPOPOJKXZDFBD-UVQUFPMPSA-N 416.334 5.125 0 1 HKAF CCc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)oc2ccc(C)cc12 587827528 JYOPWUXYSZSXHY-DMZKTXOQSA-N 416.334 6.003 0 1 HKAF Cc1ccc2c(c1C)OCCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587832267 BEUHPSAKXJAXCL-LRTDBIEQSA-N 404.323 5.155 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(Cl)cc1Cl 587858151 YNJMPKTZEIQXHS-UHFFFAOYSA-N 402.108 6.552 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3sc(C=O)cc3s2)N1 587858187 PDWUPZXUAVFLSY-RBHXEPJQSA-N 410.333 5.301 0 1 HKAF COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(-c2ccccc2C)c1O 587941397 OKHDAMSAAZTNEQ-UHFFFAOYSA-N 421.880 6.318 0 1 HKAF C[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)[C@@H]3Cc4cc(O)ccc4O[C@]3(C)CC[C@@H]21 621430951 SSYYQRHNVQFDDJ-YGEKKXTFSA-N 412.570 5.809 0 1 HKAF COc1cc2c(cc1OC)[C@](c1cccc(C)n1)(c1c(C)cccc1C)N(C)[C@H](C)C2 962630639 NPWXXYLQUCVZGS-HRFSGMKKSA-N 416.565 5.192 0 1 HKAF Cc1ccc([C@@]2(CCc3ccc(F)cc3)c3ccc(F)cc3C[C@@H]3CCCN32)c(C)c1 963092686 AFELSJNPZFSVGG-LSYYVWMOSA-N 417.543 6.479 0 1 HKAF COc1ccc([C@@]2(c3cccc(Cl)c3)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963113641 VHXGVAHWISKTBG-SQJMNOBHSA-N 407.916 5.800 0 1 HKAF N[C@@H]1Cc2c(ccc3cc(Br)ccc23)O[C@H]1c1cc(F)c(F)cc1F 1772630954 RMHQXDTZYSOTEG-MJGOQNOKSA-N 408.217 5.023 0 1 HKAF C[C@H](Oc1cccc(F)c1F)C(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 1857761926 ABZOXJKMJYLYGZ-LBPRGKRZSA-N 412.367 5.318 0 1 HKAF COc1cc(-c2cncc(-c3ccc(C4CCNCC4)cc3)c2C)cc(OC)c1OC 1911577041 WGZBSMWSGOJXPI-UHFFFAOYSA-N 418.537 5.217 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(O)[C@H]3CC[C@]12C)C(C)C 2356407300 AHUTWGJMURDYJF-GPKKYHHZSA-N 416.690 6.750 0 1 HKAF CC[C@H](CO)Oc1cc(NC(=O)c2cccc3ccccc23)c2ncn(C(C)C)c2c1 61949020 RVAMKGPSGIVZCQ-GOSISDBHSA-N 417.509 5.172 0 3 HKAF CC(C)c1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC2CCCCC2)cc1 2478194 FTQIDUUTENVAFE-UHFFFAOYSA-N 406.501 6.334 0 1 HKAF CC(C)(C)c1noc(-c2ccc(Cl)cc2F)c1C(=O)NCCOc1ccccc1 2483538 PZSHBDGPLQFRMD-UHFFFAOYSA-N 416.880 5.240 0 1 HKAF c1ccc(CCSCc2ccc(-c3ccccc3CCc3nnn[nH]3)cc2)cc1 13818268 RAOXWVJENLEGBP-UHFFFAOYSA-N 400.551 5.128 0 1 HKAF CCc1oc([C@@H](C)C(=O)[C@@H](C)c2oc(CC(C)C)c(C)c(=O)c2C)c(C)c(=O)c1C 14587452 FNFUWLSRKIARQE-ZWKOTPCHSA-N 414.542 5.064 0 1 HKAF biogenic CC1CCC(NC(=O)[C@H](Cc2ccccc2)c2csc3ccc(C(=N)N)cc23)CC1 14950997 GRRWSGURXRCOGN-VFIGECHUSA-N 419.594 5.207 0 1 HKAF CC1=C(c2ccc(O)cc2)[C@@H](CCCCCCN2CCCCC2)c2ccc(O)cc21 26636970 BZSKDCYJCCUEAL-VWLOTQADSA-N 405.582 6.562 0 1 HKAF Clc1cccc([C@@]2(Cn3ccnc3)OC[C@@H](c3ccc(Cl)cc3Cl)O2)c1 28768792 HHVFSVVMSSBGEL-OALUTQOASA-N 409.700 5.484 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CCC2=C3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 35919460 UKAKIXQJHXUJBH-LZMFKRQASA-N 416.646 5.539 0 1 HKAF CS(=O)(=O)c1ccc(-c2nc(-c3ccccc3)sc2-c2ccc(F)cc2)cc1 36126934 PFTRBDVYBNQYDV-UHFFFAOYSA-N 409.507 5.687 0 1 HKAF CCCN(CCC)C(=O)C1=C(C)Nc2ccnn2[C@H]1c1ccc(Cl)c(Cl)c1 38395624 NGUGUHKJDYAZIS-IBGZPJMESA-N 407.345 5.127 0 1 HKAF CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Nc1cc(O)ccc1C 40420965 MTDFQMYFYJEABK-OAQYLSRUSA-N 416.565 6.386 0 1 HKAF Cc1c(CNC(C)(C)C)cc(-c2ccccc2)n1Nc1ccnc2cc(Cl)ccc12 40952620 DGAYEVRMBWNBAW-UHFFFAOYSA-N 418.972 6.428 0 1 HKAF Cc1ccc2nc(-c3cc(Cc4ccccc4)ccc3O)cc(N3CCOCC3)c2c1 40973061 RNQPQSIACKVJRZ-UHFFFAOYSA-N 410.517 5.343 0 1 HKAF CSC1=NC(C)(C)C[C@]2(C[C@H](c3cccc(C)c3)c3cc(Cl)c(O)cc3O2)N1 45227028 UQTFFSLIGIXBRT-OPAMFIHVSA-N 416.974 5.456 0 1 HKAF C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O 59789393 HXGWUGDCIVSGLK-FYZDJLECSA-N 418.662 5.620 0 1 HKAF in-vitro Fc1ccccc1Sc1cc2ccccc2[n+](CCCCCc2ccccc2)c1 71318664 JMRZIBOMZBUIGT-UHFFFAOYSA-N 402.558 6.831 0 1 HKAF CC1=Nc2ccc(Br)cc2[C@@H](c2ccccc2)N1CCN1CCCCC1 72123029 UEFNTODLMJRKMJ-JOCHJYFZSA-N 412.375 5.390 0 1 HKAF Cc1cccc(-c2nc(NC3CCCCC3)ncc2C(=O)N(CC(C)C)CC(C)C)c1 82147113 ZDTQGRNSDNGPJN-UHFFFAOYSA-N 422.617 5.951 0 1 HKAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccccc2F)C1 82151484 LHRUUZRTFDZZHN-QZTJIDSGSA-N 424.564 5.678 0 1 HKAF c1ccc(OCCNc2ncc(-c3nc4ccccc4s3)c(-c3ccco3)n2)cc1 82165646 ZLQWRJYLHLJCLD-UHFFFAOYSA-N 414.490 5.504 0 1 HKAF CCc1cnc(-c2cnc(NCCc3ccccc3OC)nc2-c2ccco2)s1 82166323 KJTKHKSGALECGF-UHFFFAOYSA-N 406.511 5.086 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccc(C)o2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187355 FVRKGAXPQFENMP-OAHLLOKOSA-N 407.493 5.235 0 1 HKAF O=C(O)c1cc(-c2ccc(Oc3cccc4ccccc34)cc2)nc2ccc(F)cc12 96923848 UGQWVTZHNGFEES-UHFFFAOYSA-N 409.416 6.685 0 1 HKAF CC(C)=CCC[C@@]1(C)[C@@H](C(=O)C(C)C)C(=O)[C@H](CC=C(C)C)C[C@H]1CC=C(C)C 100779555 AXAAMKAGJNUYDB-CHQSNSNVSA-N 400.647 7.498 0 1 HKAF endogenous,in-man Cc1cccc2sc(Nn3c(-c4ccc(Cl)cc4)nnc3-c3cccnc3)nc12 103192901 ZVNFVACVPMHREH-UHFFFAOYSA-N 418.913 5.454 0 1 HKAF COc1cc(-c2cn[nH]c2)cc2c1ccn2-c1c(C)c(C)nc2ccc(Cl)cc12 118097628 IHRGPRCPXJQJCE-UHFFFAOYSA-N 402.885 5.848 0 1 HKAF CC[C@H]1C[C@@H]2NC(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]3[C@@H]12 253690314 MASOXJRADXYGSF-RUPPJFHQSA-N 415.706 7.222 0 1 HKAF COc1ccccc1[C@@H]1S[C@@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccc(C)cc1 253803455 CSDHQBMXPXZRCA-FIXSFTCYSA-N 420.509 5.848 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C 255287645 ZQWIMCCBIVTVLN-SPTNVNSJSA-N 400.691 7.779 0 1 HKAF Clc1nccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1Br 586979181 IZFNZMYLQCAUHH-UHFFFAOYSA-N 414.690 5.620 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(C)cc(Cl)cc2[nH]1 586980148 LIENDSYAQMHYAQ-UHFFFAOYSA-N 400.707 6.053 0 1 HKAF O=C1c2ccccc2-c2cc(C(c3ccccc3)c3ccccc3)nc3ccc(O)c1c23 586990401 DNTSDAFLQDFQPQ-UHFFFAOYSA-N 413.476 6.332 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC[C@H](N(C)CC(F)(F)F)C4)-c1ccccc1C2=O 586993171 MDSCAZDVLAWDOK-AWEZNQCLSA-N 410.439 5.106 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cc2)n1 587020769 FKJDHENUSIFPAN-UHFFFAOYSA-N 409.536 5.448 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)c21 587031955 WYMUBBMXLDFCBC-NSHDSACASA-N 419.447 6.680 0 1 HKAF Fc1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1Br 587050839 QXLMAHAETSVWGO-JGVFFNPUSA-N 400.078 6.042 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(C(=O)O)cc2[nH]1 587071317 JZBHPHPBDOYSDC-IXMVKTJZSA-N 401.293 5.934 0 1 HKAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Cl)cc(Br)c2[nH]1 587079933 LZQBJGUBJHDHAQ-ZDUSSCGKSA-N 424.129 5.356 0 1 HKAF Nc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1N1CCCCC1 587107770 UGMCEWMKVQOJNP-UHFFFAOYSA-N 405.501 5.686 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c(F)c1 587144533 KOPSSIQEOSRUTQ-UHFFFAOYSA-N 414.358 6.061 0 1 HKAF FC(F)(F)c1ccc(-c2nc3cccc(Cl)c3[nH]2)c(I)c1 587178696 JBXYHJPBTHPASG-UHFFFAOYSA-N 422.575 5.507 0 1 HKAF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]3c4c(nc5cccc6c5c4CC6)C[C@@]3(C)CC[C@H]12 587216220 WNHTUDQKPPSHCI-XFIIBGQRSA-N 401.594 5.967 0 1 HKAF Cc1cc(Cl)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C 587324879 ARCGQIYLRNZEFU-VWNXMTODSA-N 410.872 6.076 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccccc2C(C)(C)C3)c1 587364704 AXDSGBOLEPINIP-UHFFFAOYSA-N 405.497 7.157 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(C)(C)C)cc(Br)c1O)O2 587378318 UGRNGYACSSRLMC-QGZVFWFLSA-N 404.304 5.049 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(Br)cc(F)c31)CC2=O 587470720 HEJAUESRDSKADZ-FQEVSTJZSA-N 405.263 5.053 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(C(F)(F)F)ccc1Cl 587545893 IKHPZXFBOFDREN-XLIONFOSSA-N 420.770 5.767 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(F)c2)s1 587568174 DGGIWXAEAPSXMJ-ZJSXRUAMSA-N 418.445 5.963 0 1 HKAF CCc1ccc(-c2cnc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 587585916 ILKLYSVZGTWQTA-URXFXBBRSA-N 413.429 5.313 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1N1CCCCC1 587596499 RLROZCOCEXYRBN-DHLKQENFSA-N 401.462 5.085 0 1 HKAF CCOc1cccc2cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)oc12 587615003 FFIAOESXQBOXMS-SQJMNOBHSA-N 416.429 5.414 0 1 HKAF COc1ccc2oc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)c2c1 587618231 SQFDPHMOONAVCP-BWKNWUBXSA-N 416.429 5.332 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1sc3ccccc3c12 587619700 UKFTURCAFQWZJJ-XUZZJYLKSA-N 400.455 5.410 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2c(Cl)cccc2Cl)N1 587691099 BWIYVSQZHFEJAP-XTZNXHDOSA-N 417.149 6.103 0 1 HKAF Cc1[nH]c2ccc(Cl)cc2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587694600 HHDALLOPRZYFHN-AYLIAGHASA-N 407.714 5.655 0 1 HKAF Cc1cc(OC(F)F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587716608 JQEPIMDPWQQSJE-VOJFVSQTSA-N 414.265 5.430 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccco1 587750575 ITZUPXIPVYFGGF-QKVFXAPYSA-N 417.322 5.271 0 1 HKAF CCCOc1c(C)cc(C)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587795676 RGHUQMSFGLVBFL-JLTOFOAXSA-N 406.339 5.617 0 1 HKAF CCCOc1c(C)cc(C)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587795678 RGHUQMSFGLVBFL-VLIAUNLRSA-N 406.339 5.617 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(c2ccccc2)c2ccccc2)N1 587819430 MLICJIOXEOGHIB-CMJOXMDJSA-N 410.330 5.996 0 1 HKAF Cc1cccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 587821378 UNVLCSWQKFARQP-CMJOXMDJSA-N 410.330 6.187 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3nccs3)cc2)N1 587851153 AVYBLPIVEIYGKT-VOJFVSQTSA-N 403.320 5.335 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc3ccccc3c2Cl)N1 587852597 HNUBHIQLHRRCAR-XYZCENFISA-N 410.739 6.080 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc(C=O)sc3s2)N1 587858767 UEKDDUBUFJPKOZ-ZKANADHPSA-N 410.333 5.301 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1cccc(OC)c1 587859352 WMPMTOZGNBLFNH-UHFFFAOYSA-N 405.281 5.147 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(Cl)ccc1O 587865130 RAPHPCUTOQHPDQ-UHFFFAOYSA-N 410.779 5.015 0 1 HKAF COc1ccc2c(c1)CCC=C2Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587935174 QJLLGWLDFMWPKH-UHFFFAOYSA-N 423.541 6.421 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(N)c(N)cc2[nH]1 587949327 RWJRLPZPQWNELY-ZCCHDVMBSA-N 406.530 5.012 0 1 HKAF COc1cccc(COc2cccc(Cl)c2[C@H]2NCCc3cc(C)c(F)cc32)c1 962090151 GUFMBVJJUCSWHT-DEOSSOPVSA-N 411.904 5.610 0 1 HKAF CCC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)c2cc(OC)ccc2CCN1C(C)C 962093226 SRSXIECXBBADQB-HSZRJFAPSA-N 419.487 5.593 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@]1(c1cccnc1)c1cccc(Cl)c1 962396223 FPHYGJSBRUPMJS-XMMPIXPASA-N 419.981 5.485 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CCCC[C@@H]2c2ccc(Br)cc2)N1 962953164 QAOTTXJAIDBEJF-MEKIYTOJSA-N 423.398 6.408 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@]3(CCc1ccccc1)c1ccc(F)cc1 963059257 QBLZIRUCRNUNIC-HHHXNRCGSA-N 412.508 5.405 0 1 HKAF C/C(=C\[C@]1(c2ccccc2)NCCc2c(Cl)cc(Cl)cc21)Nc1ccccc1 963103715 GKVOOXQWKXHUEV-GQRCBVMOSA-N 409.360 6.399 0 1 HKAF CC1=C2CCN(Cc3ccccc3)C[C@@H]2CC[C@@]12c1ccc(F)cc1C[C@H]1CCCN12 963118567 ZRMYRIUFHIXZNZ-DLNIMUOOSA-N 416.584 5.674 0 1 HKAF C[C@@H](CCN(C)CC12CC3CC(CC(C3)C1)C2)Nc1ccnc2cc(Cl)ccc12 1772594118 JMZCLSRQFRYKPZ-SELVFMLMSA-N 412.021 6.227 0 1 HKAF CC(C)[C@H](C(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2N)cc1)c1ccccc1 1857634825 NHIVVTDJMQAKAA-QFIPXVFZSA-N 405.473 5.039 0 1 HKAF Brc1cc2nc(-c3ccco3)c(-c3ccco3)nc2cc1-c1cncnc1 1857653243 GDQVLTICEIGZDT-UHFFFAOYSA-N 419.238 5.369 0 1 HKAF CC(C)CC=C[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@@]21C 2356566369 FNLULDRVESXFIV-MRQOFVDISA-N 416.646 5.108 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@@H]3C(=CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@]34C)[C@@H]2C1 2356595422 GLENULFUVDQXBU-MWYSIPAMSA-N 412.702 7.779 0 1 HKAF CCC[C@@H](C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CC 2356658312 NLDBCFRIELDMRO-PYYRWUFESA-N 412.702 7.945 0 1 HKAF CC(C)[C@@H]1CC=C2CC[C@@H]3C(C[C@H](C)COC(=O)c4ccccc4)=CCO[C@H]3[C@@H]2C1 2356791698 IWMZTXVGHIRXOG-PFCQFSIYSA-N 408.582 6.213 0 1 HKAF CC1(C)CCC[C@@]2(C)[C@@H]3CCC4=CN(CCS(=O)(=O)O)CC=C4[C@@]3(C)CC[C@H]12 2356829590 JABAEWPMUOEDCX-OHUMZHCVSA-N 407.620 5.043 0 1 HKAF O=C(OC1(c2cc3ccccc3c(=O)o2)CCCCC1)c1ccc(C(F)(F)F)cc1 36388772 WHMKTSYUPZYULH-UHFFFAOYSA-N 416.395 5.828 0 3 HKAF CC(C)c1ccc(NC(=O)c2cc(-c3cc(F)ccc3OC[C@H]3CCCO3)[nH]n2)cc1 61906682 JSPATQPFGKCLKI-LJQANCHMSA-N 423.488 5.149 0 3 HKAF CCCCCCN[C@@H](CNC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 13737256 GGLIZWJFEQUHFA-VWLOTQADSA-N 423.645 6.966 0 1 HKAF Cc1nc2cccc(F)c2c(N)c1CSCc1cccc([C@@H](O)C(F)(F)F)c1 13864125 ABHDJBQOHVWGAS-LJQANCHMSA-N 410.436 5.294 0 1 HKAF CC1(C)CC[C@]2(C)CC=C3[C@@](C)(CC[C@H]4[C@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@@]34C)[C@H]2C1 38839305 DBCAVZSSFGIHQZ-LCNIFGJKSA-N 424.713 8.377 0 1 HKAF CCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1cccc2c1COC2 40566820 YZCGHTQMBFQHHT-UHFFFAOYSA-N 409.961 5.633 0 1 HKAF COc1ccc([C@@](c2ccccc2)(c2cccc(OC)c2)n2nnc3ccccc32)cc1 43021413 PSTJXZSMRNLUPJ-MHZLTWQESA-N 421.500 5.289 0 1 HKAF Nc1cccc(CNCc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)cc2)c1 45228708 KWWCCZWTWKNGCF-UHFFFAOYSA-N 410.546 5.830 0 1 HKAF Cc1cccc([C@@H](O)CNc2ccnc(Nc3cccc(-c4csc(C)n4)c3)n2)c1 45321928 PGJGLIWMEYLGGE-NRFANRHFSA-N 417.538 5.106 0 1 HKAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ccncc2o1)C(F)(F)F 64415701 FJNNUNSQTYMTMN-FQEVSTJZSA-N 411.395 5.179 0 1 HKAF Cc1ccc(-c2ccc3c(c2)[C@@H](N2CCN(C)CC2)Cc2ccccc2S3)cc1 64548652 ACJNHQLAGNWKBM-DEOSSOPVSA-N 400.591 5.658 0 1 HKAF O=C(NC[C@H](c1ccccc1)n1ccnc1)c1csc(-c2ccc(Cl)cc2)c1 70463130 VUQYJWCIEWHLQA-HXUWFJFHSA-N 407.926 5.284 0 1 HKAF Cc1nc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccccc2)sc1C 82163361 UMMNZRXQEZDHKP-UHFFFAOYSA-N 420.969 6.192 0 1 HKAF C/C(=C/C=C/C(C)=C/C=C\C=C(/C)CCCO)[C@H]1C=C2C(C)(C)C[C@@H](O)C[C@]2(C)O1 85979766 SMTGOURXPBLNQN-GIEJUAFISA-N 412.614 5.975 0 1 HKAF in-man FC(F)(F)c1cc(COCC2(c3ccccc3)CCCCC2)cc(C(F)(F)F)c1 95601781 FFHLOFOSIPUNDM-UHFFFAOYSA-N 416.405 7.143 0 1 HKAF C[C@@H]1C[C@H](N)C[C@H](c2ccncc2CC(=O)c2ccc(F)c(C3CCCCC3)n2)C1 96177732 IJJXUPVXVJBLBR-HQRMLTQVSA-N 409.549 5.320 0 1 HKAF Cc1c(/C=C/O)nc(O)c2c1ccc1nc(Nc3c(Cl)cccc3Cl)n(C)c12 100775950 MPTHJXLFMDILML-CMDGGOBGSA-N 415.280 5.715 0 1 HKAF CCCCCn1cc(C(=O)NC23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)c(=O)c2ccccc21 101074428 GXVOMEXKBUSDHO-BDUOHSOASA-N 420.597 5.671 0 1 HKAF CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2C)C2=C(O)CC(C)(C)CC2=N1 104700259 LEULVRDHRFLBST-DEOSSOPVSA-N 414.549 6.386 0 1 HKAF C[C@@H](CCCc1ccc(F)cc1)c1cc(O)c2c3c(c(=O)oc2c1)N1CCC3CC1 143127112 FTBYATCBLSHCCD-HNNXBMFYSA-N 407.485 5.462 0 1 HKAF COC(=O)CCC(=O)OC[C@]12C=C[C@@]3(CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3CC1)C2 238767536 CDAYKMDGHCTLJK-KPSKLQJESA-N 402.575 5.452 0 1 HKAF C[C@@H]1CC[C@@]2(NC1)O[C@@H]1C[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@@]5(C)[C@@H]4CC[C@]3(C)[C@H]1[C@H]2C 253987036 XYNPYHXGMWJBLV-LLNWWWOQSA-N 415.662 5.367 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@@H]4[C@@H](CC[C@@H](O)C4(C)C)[C@H]3CC[C@@]12C 255202165 CIUWDTKQGZYEEE-SUJZJJKVSA-N 412.702 7.945 0 1 HKAF COC(=O)Nc1nc2cc(Sc3c[nH]c4ccc(Br)cc34)ccc2[nH]1 299820550 DBAKFPHHJWILLN-UHFFFAOYSA-N 417.288 5.136 0 1 HKAF CCOc1cc(/C=C\c2nc3cc(C)c(C)cc3[nH]2)cc(Br)c1OC 586977299 FAPCASCKJWGGOG-SREVYHEPSA-N 401.304 5.520 0 1 HKAF C[C@@H](c1cnc2ccc(O)c3c2c1-c1ccccc1C3=O)c1cn(C)c2ccccc12 586988030 VXAJMHXWROWOKT-HNNXBMFYSA-N 404.469 5.795 0 1 HKAF O[C@H](c1ccc(Br)cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586997384 QIDPBZFWLRQTMT-CYBMUJFWSA-N 405.601 5.079 0 1 HKAF FC(F)(F)c1cnc2[nH]c(COc3ccc4ccccc4c3Br)nc2c1 587002092 SQWSIEDXWYYTML-UHFFFAOYSA-N 422.204 5.471 0 1 HKAF CC(C)n1c(-c2nc3c(F)c(F)ccc3[nH]2)cc(Br)c1Br 587004892 BKYOMQHONHZQMZ-UHFFFAOYSA-N 419.067 5.416 0 1 HKAF FC(F)(F)Sc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 587008505 XGFOHFFWIJWFRC-UHFFFAOYSA-N 413.222 5.252 0 1 HKAF COc1cccc(-c2ccc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c(Cl)c2)c1 587052620 YJOLQZJEPUWMTR-UHFFFAOYSA-N 404.684 6.261 0 1 HKAF Clc1cccc(COc2ccc(/C=C\c3nc4cc5cn[nH]c5cc4[nH]3)cc2)c1 587072156 WJYXJMDQSZVBEC-TWGQIWQCSA-N 400.869 5.842 0 1 HKAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587151513 ZRWVKTHCSRPLQV-LJQANCHMSA-N 403.354 6.061 0 1 HKAF CC(C)CCOc1cc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2cc1Br 587160622 DYAVDBDSLGRGTA-HOTGVXAUSA-N 417.322 6.161 0 1 HKAF Fc1ccc(Oc2ccc(-c3nc4ccc(F)cc4[nH]3)cn2)c(Br)c1 587161629 ZDNOQVAUPJFJJH-UHFFFAOYSA-N 402.198 5.458 0 1 HKAF FC(F)(F)Oc1cccc(Br)c1/C=C/c1cc2c3c(cccc3n1)CC2 587210060 COQBXWRUWLNGKW-MDZDMXLPSA-N 420.228 6.165 0 1 HKAF Cc1cccc(NC(=O)Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1C 587239253 OCVODBMJAMUUFH-UHFFFAOYSA-N 415.337 5.399 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(F)cc(OC)cc2C3)c1 587360180 KKEAVYDGTJJVBL-UHFFFAOYSA-N 411.432 6.376 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]3C(=O)OC(C)(C)C)c1 587362796 KPHHPUVDLKEXLO-KRWDZBQOSA-N 401.462 5.638 0 1 HKAF COc1cccc(-c2cc(-c3ccc(N4CCCC4)cc3)nc3c2oc2ccccc23)c1 587363884 QELJRJABGHSPFK-UHFFFAOYSA-N 420.512 6.924 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cc(Br)ccc3nc1Cl)O2 587373245 SNLDEIJGLCDAKY-QGZVFWFLSA-N 417.690 5.248 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCc1cccc(Cl)c1)CC2=O 587460368 HKSQGOPZOXPTMP-XMMPIXPASA-N 422.908 6.284 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3cccc(Cl)c3)cc1)CC2=O 587462665 PTTHYOKATLEYNJ-RUZDIDTESA-N 406.909 6.546 0 1 HKAF C[C@@]1(c2c[nH]c3ncc(Br)cc23)CC(=O)c2ccc3c(c2O1)CCCC3 587497972 NKDVXYSBUHHTGY-NRFANRHFSA-N 411.299 5.085 0 1 HKAF Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1-c1cccc(Cl)c1 587498664 FNIVALRNNPTGRF-DEOSSOPVSA-N 406.913 5.594 0 1 HKAF CC(C)c1nn(-c2ccccc2)c(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587503924 ZXARWLTWKIYTJF-OAQYLSRUSA-N 420.940 6.234 0 1 HKAF COc1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587542352 ITPMURNPEBMEMA-NFBKMPQASA-N 410.853 5.017 0 1 HKAF CCc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587576864 LAVGDZOJZBWMPC-JYFHCDHNSA-N 411.457 5.448 0 1 HKAF COc1ccc2cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2c1 587599854 IFVBQJVAAODAPS-ZEQKJWHPSA-N 412.441 5.431 0 1 HKAF CCCc1c(-c2ccc(Cl)c(Br)c2)[nH]c2ccc([C@@H](C)CC)cc12 587639508 YLFSKQNKACRMJQ-ZDUSSCGKSA-N 404.779 7.717 0 1 HKAF CC(C)c1ccccc1NC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660919 JWOZMHVGQZCYDF-UHFFFAOYSA-N 417.509 5.571 0 1 HKAF CC[C@@]1(c2c(Cl)cccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 587693342 NGBLMKGFPAJGSX-MLCYQJTMSA-N 417.149 6.083 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ccc3cccnc23)N1 587695054 IYMUKTZPNHTAIV-OVWNDWIMSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCNc3cc(Cl)ccc32)N1 587698519 OOLHVKAXNACUFR-JEOXALJRSA-N 409.730 5.225 0 1 HKAF Cc1cc(C)n(-c2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)n1 587763777 MJOPIVYZQUJERD-LAJNKCICSA-N 414.322 5.014 0 1 HKAF CCOc1ccc2ccccc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587801691 MZQRNORKBYYYGG-MCMMXHMISA-N 414.318 5.764 0 1 HKAF C/C=C\[C@]1(C2=C(C)CCCC2(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587816158 UUZQJOKOTOZCRJ-QBSAGJGFSA-N 406.383 6.420 0 1 HKAF CCc1cc(CC)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(CC)c1 587818599 IYNIYXIHHHMDMK-MCMMXHMISA-N 404.367 5.899 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccccc3)OC2(C)C)N1 587835388 WGRJINZWCIDVTM-JRQSSSKMSA-N 404.323 5.258 0 1 HKAF Cc1oc(-c2cccs2)nc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587855475 VXZHLMJENLZJTB-XLFHBGCDSA-N 407.308 5.237 0 1 HKAF Brc1cc2nc(-c3ccc(OC4CCC4)cc3)[nH]c2cc1Br 587951563 OZJWSUYWXJHWHX-UHFFFAOYSA-N 422.120 5.686 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cnnc(O)c2[nH]1 587961263 SDDHKVPPVMVDPQ-RCHUDCCISA-N 420.601 6.913 0 1 HKAF COC(=O)c1cc2nc(/C=C(\C)CCC=C(C)C)[nH]c2c(F)c1Nc1ccccc1 587968605 SKHBUPWIUFLTIU-DTQAZKPQSA-N 407.489 6.382 0 1 HKAF Cc1ccc([C@@]2(c3c(Cl)cccc3Cl)NCCc3ccc(F)c(C)c32)cn1 962297507 JKFXFWNIXOYNRD-JOCHJYFZSA-N 401.312 5.582 0 1 HKAF Fc1cc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)ccc1OC(F)F 962635252 HUGOUNYLSABNBS-RDPSFJRHSA-N 424.466 5.263 0 1 HKAF Cc1ccc(C(C)C)c2c1[C@]1(CCO2)c2cccc(F)c2CCN1[C@H]1CCSC1 962699399 HOYAELHPGVWOLW-BVZFJXPGSA-N 411.586 5.647 0 1 HKAF Fc1cc(OC(F)(F)F)cc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c1 962720255 TUBJQQSPGDDUKY-LIRRHRJNSA-N 415.427 5.316 0 1 HKAF FC(F)(F)[C@@]1(c2nc3ccccc3s2)NCCc2c(Cl)cc(Cl)cc21 963110489 PWGBEDFMOIFIJO-MRXNPFEDSA-N 403.256 5.555 0 1 HKAF Cc1cccc([C@]2(CCc3ccc(Cl)cc3)NCCc3c(C(=O)O)cccc32)c1 963132599 QZWDNFJEKBCKFS-VWLOTQADSA-N 405.925 5.369 0 1 HKAF COc1ccc(Sc2ccccc2-c2cn(-c3ccc(OC)cc3OC)nn2)cc1 1857620218 IZCSVRGDXFKHTL-UHFFFAOYSA-N 419.506 5.111 0 1 HKAF CCC/C=C/C[C@@H]1CC=CC=C(C)C=CC=C[C@@H](O)CC=C(C)C=CC=CC(=O)N1 1857627553 UMYFIUGQWGBKLX-SXDJSEJMSA-N 407.598 6.046 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356406673 CPQUIAPJXYFMHN-JWAXJRHZSA-N 400.691 7.635 0 1 HKAF COc1cc(OC)c2c(c1)O[C@@H](c1ccc(O)cc1)C[C@H]2C=Cc1ccc(O)cc1 2356457426 PEFRTDSZTRQEAJ-XMSQKQJNSA-N 404.462 5.436 0 1 HKAF CC(=C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CC(C)C 2356555121 JVYPHKPYYNCGNZ-JTQNJIBJSA-N 414.718 7.881 0 1 HKAF COc1ccc([C@@H]2C[C@@H](c3ccccc3)Oc3cc(OC)c(OC)c(OC)c32)cc1 13661722 CFGQWBDCZVBPFW-PMACEKPBSA-N 406.478 5.377 0 3 HKAF COc1ccc(-c2nc3c(C)cc(Br)cn3c2CC(C)(C)C)cc1OC 72139800 IXGVAASQEUTYRQ-UHFFFAOYSA-N 417.347 5.678 0 3 HKAF CC(C)=CCC[C@H](C)C[C@@H]1CC2=C(C(=O)OC(C)(C)O2)[C@@H](c2ccc(F)cc2)O1 95566133 HCPGDBXDHFETOE-DKZVUGQWSA-N 402.506 5.992 0 3 HKAF O=C1CCC[C@H]2[C@@H](Cc3ccccc3)[C@@H](NCC3CCCCC3)CC[C@]23CCCN13 206041023 KBTHKNUDZVHOPI-DPRQWMOBSA-N 408.630 5.339 0 3 HKAF C[C@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)C4=CC[C@]32C)O[C@@]12CC[C@@H](C)CO2 299872632 QCVKYDNFSXDPSW-MYPDZMOISA-N 414.630 5.714 0 3 HKAF in-vitro CC[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2 5132647 AAOMCPIGXHPOEP-SFHVURJKSA-N 402.519 5.155 0 1 HKAF O=[P@@]1(Oc2ccccc2)[C@@H](c2ccccc2)C(c2ccccc2)=NN1c1ccccc1 5810526 KLAWGOKDMUSYCT-SUYBVONHSA-N 424.440 6.924 0 1 HKAF O=c1cc(-c2ccccc2)oc2cc(OCCCCCCN3CCCCC3)cc(O)c12 28565885 VHIYDZZEAZTSTG-UHFFFAOYSA-N 421.537 5.591 0 1 HKAF Cc1ccc(C)c2oc(-c3ccc(-c4ccc(C(=O)O)cc4Br)[nH]3)cc12 29468910 SLTDYOMUBPVNJK-UHFFFAOYSA-N 410.267 6.172 0 1 HKAF CC/C(=C(\c1ccccc1)c1ccc(OC(C)=O)cc1)c1cccc(OC(C)=O)c1 29550447 MGUYNUJGUWQCGH-QPLCGJKRSA-N 400.474 5.906 0 1 HKAF C[S@@](=O)c1ccc(-c2nc(-c3cccc4ccccc34)c(-c3ccncc3)[nH]2)cc1 38143311 IAOJVAYDEVIOKV-PMERELPUSA-N 409.514 5.696 0 1 HKAF Oc1c2cc(-c3ncccc3C(F)(F)F)ccc2nn1-c1ccc(C(F)(F)F)cc1 38156649 RGJWHPBHALSPGT-UHFFFAOYSA-N 423.316 5.831 0 1 HKAF Clc1ccc(Nc2nc3ccccc3c3[nH]c(C4CCNCC4)nc23)cc1Cl 40423849 IHJXPLHOVUEJQX-UHFFFAOYSA-N 412.324 5.629 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 42855746 PRKPDIRLXGMLSU-XVPLPGRKSA-N 400.691 7.491 0 1 HKAF Cc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)[C@H](C)CN(C)C)c4)c3)nc12 45187439 CFWUHCFJCCWBFI-GOSISDBHSA-N 412.537 5.342 0 1 HKAF C[C@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1cccc(Cl)c1 49045523 DBRAEKJTQXKQQT-MHECFPHRSA-N 411.973 5.543 0 1 HKAF CC[C@H](C)Cn1c(-c2ccsc2)nc2c(NCCCc3ccccc3)ncnc21 82179908 JFARMYDKLCXPHJ-KRWDZBQOSA-N 405.571 5.646 0 1 HKAF Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc(CN3CCCC3)cnc12 84705001 WDJYCRBJWBJLKO-UHFFFAOYSA-N 415.537 5.180 0 1 HKAF Clc1ccc(Sc2nc(C(Cl)(Cl)Cl)nc3ccccc23)c(Cl)c1 84711738 CFYCXUHMWRZQKZ-UHFFFAOYSA-N 424.567 6.915 0 1 HKAF C[C@@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c3ccc(Cl)cc3)c2c1 95554535 WFJQPGXKJLYABF-GFCCVEGCSA-N 412.272 5.978 0 1 HKAF O=C1C[C@@H](c2ccccc2)C(=O)N[C@H](c2ccccc2)C/C=C\C[C@H](c2ccccc2)N1 95664473 GPBYDCUKLUJVJM-IWONVORMSA-N 424.544 5.225 0 1 HKAF O=c1cc(-c2cccc(-c3cc4ccccc4s3)c2)sc(N2CCOCC2)c1 101072982 MSUVSRZBKGBEJJ-UHFFFAOYSA-N 405.544 5.494 0 1 HKAF O=C(COc1ccccc1Cl)N1N=C(Nc2ccccc2)S[C@@H]1c1ccccc1 103193494 JXMZHJGGORQFBN-OAQYLSRUSA-N 423.925 5.376 0 1 HKAF CC(C)(C)OC(=O)N1CCC(N(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 103303265 SNPAJCUMWJJZPP-UHFFFAOYSA-N 421.463 5.638 0 1 HKAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(C)s2)C2=C(O)CC(C)(C)CC2=N1 104083953 RUTHFYBQRWAUQY-YCRPNKLZSA-N 415.555 5.223 0 1 HKAF Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)s1 114454900 HHDZFQUYOHXTKF-UHFFFAOYSA-N 413.424 5.485 0 1 HKAF CC(C)[C@H](C)[C@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118923972 CMQUZVIEHACIBO-QJZFPKQVSA-N 412.702 7.491 0 1 HKAF O=C(CC1CC1)N[C@H]1CC=C(c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)CC1 167081812 PLMHWEUBPQFDRP-QHCPKHFHSA-N 415.537 5.087 0 1 HKAF CCO[P@@](=O)(CC)Oc1cccc(Nc2cc(-c3ccccc3OC)ncn2)c1 169342853 OLXVAZQUMZMLIA-LJAQVGFWSA-N 413.414 5.524 0 1 HKAF Cc1c(OCCCCOc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)C)c1O 169351411 VOAWHZVCPXGDSD-UHFFFAOYSA-N 418.461 5.005 0 1 HKAF CC1(C)CCC(C)(C)c2cc([C@@H](N=O)c3ccc4cc(C(=O)O)ccc4c3)ccc21 169714708 YRLIQFOYOUAXNA-QHCPKHFHSA-N 401.506 6.743 0 1 HKAF Cc1nc2cc(-c3ccccc3)nn2c(-c2ccccc2)c1[C@H](OC(C)(C)C)C(=O)O 205294100 SVBIBHXLPXJZKV-QHCPKHFHSA-N 415.493 5.313 0 1 HKAF Cc1ccc(NC(=O)NCCCCCCCCCCCCCCCC(=O)O)cc1 209428024 JKNZOGKNXAEQMK-UHFFFAOYSA-N 404.595 6.663 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3 255222842 KLLFGBWPBOBVAC-YMZGFPEFSA-N 414.718 8.025 0 1 HKAF CN1CCC(c2ccc3nc(Nc4ncc(C(F)(F)F)cc4Cl)[nH]c3c2)CC1 299824272 AHPPALPUTMVHEX-UHFFFAOYSA-N 409.843 5.183 0 1 HKAF Cc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1NC(=O)c1cnoc1C 473247798 IGGHWLHRLGOOBG-UHFFFAOYSA-N 419.268 5.495 0 1 HKAF c1ccc(Sc2ccc3nc(CSc4nc(-c5cccnc5)no4)[nH]c3c2)cc1 586967298 TYLHVNIATFHICK-UHFFFAOYSA-N 417.519 5.451 0 1 HKAF Clc1c(-c2nc3cc(Br)cc(Cl)c3[nH]2)ccnc1Br 587005921 ZRDPMYKFZUBPPW-UHFFFAOYSA-N 421.907 5.457 0 1 HKAF FC(F)(F)c1c(Br)ccc2[nH]c(-c3ccc(Br)o3)nc12 587008300 SDPVBVSPXNKLDP-UHFFFAOYSA-N 409.987 5.367 0 1 HKAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(Sc3ccccc3)cc2[nH]1 587026299 BTYHCCZSRZNYNZ-UHFFFAOYSA-N 403.532 6.330 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc4ncccc4c3[nH]1)N2 587030809 IUVSGMXAAKUSER-GFQQVXNGSA-N 421.551 5.238 0 1 HKAF Fc1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 587064034 JVTVDJGNAHIXRP-UHFFFAOYSA-N 405.860 6.056 0 1 HKAF Clc1cc(Cl)cc(-c2cncc(-c3nc4cccc(Br)c4[nH]3)c2)c1 587067917 UUMHBHIUSUPOEA-UHFFFAOYSA-N 419.109 6.361 0 1 HKAF COc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1OCC(F)F 587104454 VEAHVZQEAZUOCB-UHFFFAOYSA-N 417.411 5.766 0 1 HKAF Fc1cc(Br)cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 587113661 WJLOFOHKPJTOJB-UHFFFAOYSA-N 410.168 5.699 0 1 HKAF FC(F)(F)Sc1ccc(/C=C\c2nc3ccnc(Br)c3[nH]2)cc1 587123197 BZJHNJRPKAAART-UTCJRWHESA-N 400.223 5.503 0 1 HKAF Cc1cc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c2cc1Cl 587123854 VBDUZMPEOBOYTB-UHFFFAOYSA-N 423.847 6.522 0 1 HKAF FC(F)Oc1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1 587130793 RIHDKTIDYCFCJF-UHFFFAOYSA-N 423.135 5.492 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(C(F)(F)F)ncc3[nH]2)c(Cl)c1 587159103 MLZNXCZRWZIHCO-SFHVURJKSA-N 421.781 5.938 0 1 HKAF Fc1ccc(Oc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cn2)c(Br)c1 587160789 DHTFUBHTOJKNMV-UHFFFAOYSA-N 420.188 5.597 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc(-c5cc6cc(N)ccc6o5)[nH]c4c3)o2)cc1 587253047 ZAXQSEMKTPEHNQ-UHFFFAOYSA-N 423.432 5.284 0 1 HKAF C[C@@]1(c2cc(Cl)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339705 ZHAZRDZCSHYQPW-IRLDBZIGSA-N 400.808 5.598 0 1 HKAF CC(C)Cc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587353519 LDUGASVNLBDGKK-AHWVRZQESA-N 404.481 6.004 0 1 HKAF COc1cccc(-c2cc(-c3ccc(O)cc3Cl)nc3c2oc2ccccc23)c1 587357238 FJXQINLBQFEGQF-UHFFFAOYSA-N 401.849 6.683 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(Cc3ccccc3Cl)c1C)CC2=O 587462193 NJTGVQSISRJNMQ-QFIPXVFZSA-N 424.928 5.566 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccccc1Cl 587550221 VSPYDICPVITWEY-URXFXBBRSA-N 417.848 5.539 0 1 HKAF COc1ccc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 587599266 DNXTWEHGHFLBFF-ZEQKJWHPSA-N 412.441 5.431 0 1 HKAF CCCCCc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587603185 NNKOSPBCGWWLIM-OZXSUGGESA-N 402.490 6.002 0 1 HKAF CC(C)c1cccc2c1OCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608587 LFGBTUOGXNEYPH-SQJMNOBHSA-N 402.446 5.155 0 1 HKAF CC1(C)CCc2nc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)sc2C1 587616587 FGEZETMQJKIJHY-GHTZIAJQSA-N 407.491 5.067 0 1 HKAF O=C(c1c(-c2cccc(OC(F)F)c2)[nH]c2cc(Cl)c(F)cc12)C(F)(F)F 587628772 PLHNDMIRGFEAIP-UHFFFAOYSA-N 407.697 5.974 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccc(Br)cc3)c2c1 587637833 ASCNCENQVZWGNE-GFCCVEGCSA-N 414.299 5.462 0 1 HKAF CCOC(=O)Cc1c(-c2ccccc2Br)[nH]c2ccc([C@@H](C)CC)cc12 587639090 MUYMHAWASPBQNM-AWEZNQCLSA-N 414.343 6.217 0 1 HKAF Cc1cc2nc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)sc2cc1C 587657187 PKTLJYIKPAKZPI-UHFFFAOYSA-N 419.456 5.557 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2cccc(Cl)c2)N1 587701479 NLDSQJLEKIOHER-APBUJDDRSA-N 420.713 5.255 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3cccc(Cl)c3)no2)N1 587704482 UWVQOOFRJCZJIS-GIGQVBGESA-N 421.697 5.520 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cccc2C(F)(F)F)N1 587714153 VFKNPRKOTVLEIO-VPTHRUTESA-N 422.647 5.884 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccc(F)cc3)s2)N1 587735126 PFVYOWJEOWPNGF-YPMLDQLKSA-N 421.310 5.474 0 1 HKAF Cc1cccc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587753498 JHWPNGFYQSDQLA-PEBXRYMYSA-N 413.334 5.619 0 1 HKAF Cc1cccc([C@]2(c3ccccn3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587773351 QSNSHAIHLKMMOK-NYHFZMIOSA-N 411.318 5.118 0 1 HKAF COc1ccc(C2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 587806754 JAICKLANWYLQID-SEQKXJMWSA-N 418.350 5.684 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3ccccc3)c2)N1 587810814 MBNOVDYPGSBQHU-PEBXRYMYSA-N 412.302 6.004 0 1 HKAF COc1ccc2cccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587812382 ZTMYSXZSYQHIMC-MCMMXHMISA-N 414.318 5.548 0 1 HKAF Cc1ccccc1C1([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CCOCC1 587836192 SOQYTMLVFULUAB-YCRPNKLZSA-N 418.350 5.220 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3cccs3)c2)N1 587849961 CFURDCXZTCXOSZ-YUNKPMOVSA-N 402.332 5.940 0 1 HKAF CCN(c1ccc(-c2csc(C34CC5CC(CC(C5)C3)C4)n2)cc1)S(C)(=O)=O 587922565 DZAWRMRYHFJIPK-UHFFFAOYSA-N 416.612 5.064 0 1 HKAF COc1ccc2c(c1)[C@@]1(C[C@H](c3ccccc3O)Oc3ccccc31)N(C(C)C)CC2 962093060 PCCGEOXVRLUJKO-SXOMAYOGSA-N 415.533 5.435 0 1 HKAF COc1ccc2c(c1OC)[C@@H](c1ccc(N(C)c3ccccc3)cc1)N(C)[C@@H](C)C2 962632070 JNTPUSLNFMWZHL-AVRWGWEMSA-N 402.538 5.438 0 1 HKAF C[C@@]1(COc2cccc(Br)c2)c2ccsc2CCN1Cc1ccco1 962704159 IWOVZVPEDGBYJD-HXUWFJFHSA-N 418.356 5.456 0 1 HKAF CC[C@@]1(c2cccc(F)c2C)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963188754 WMJNRUDBLHLOFJ-BEFAXECRSA-N 415.814 5.059 0 1 HKAF CCCN1[C@H](c2ccccc2OCc2cnc(Cl)s2)c2ccccc2C[C@H]1C 963235555 WYBQZRRMAJMKDB-ZHRRBRCNSA-N 412.986 6.122 0 1 HKAF Clc1ccc(Nc2nc(C(Cl)(Cl)Cl)nc3sccc23)c(Cl)c1 1772612907 DYBISWJURQWOOO-UHFFFAOYSA-N 413.544 6.568 0 1 HKAF CCc1ccccc1-c1cccc2cc(CNc3cccc(CC(=O)O)c3)sc12 1772649591 DQEIXFLEOVOQHX-UHFFFAOYSA-N 401.531 6.370 0 1 HKAF CN(Cc1ccc(OCCCN)cc1)c1nc2ccc(Oc3ccccc3)cc2s1 1857538577 XEAAAZUVXXQYLW-UHFFFAOYSA-N 419.550 5.453 0 1 HKAF FC(F)(F)c1ccc(-c2cc(CN3CCSCC3)nn2C2CCCCC2)cc1 1857572887 AMKPOGIZBSYSRO-UHFFFAOYSA-N 409.521 5.623 0 1 HKAF Oc1nc2ccccc2c2[nH]nc(-c3cn(-c4ccccc4)nc3-c3ccccc3)c12 1911573917 HINJSNXUSVACKN-UHFFFAOYSA-N 403.445 5.336 0 1 HKAF CC1=C[C@H](CNC(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(N(C)C)cc2)o1 2356301131 VWPSYSIVFLNQOP-XJUOHMSHSA-N 410.606 5.198 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@H](CO)CC[C@]4(C)[C@H]3CC[C@@]12C 2356542465 RKYSZGJUFBBPTD-UWWHHDKRSA-N 400.691 7.348 0 1 HKAF O[C@@H]1CN2CCCCCCC=CCCC3=C[C@H]4CN5CCCCC=CCC[C@@](C2)([C@H]14)[C@@H]35 2356611015 GFQQVZDOEWJQSB-UZINISAASA-N 424.673 5.327 0 1 HKAF CC(C)[C@@H]1CC[C@H]2[C@]3(C)CC=C4C(=CC[C@]5(C)CCC(C)(C)C[C@H]45)[C@@]3(C)CC[C@]12C 2356625534 PKSBIHVTQFFWSW-KTCBBLIMSA-N 408.714 8.974 0 1 HKAF COc1ccc2c(Nc3c(Cl)cncc3Cl)nncc2c1OC1CCCC1 1490210 KBKFKOUQHDZZOS-UHFFFAOYSA-N 405.285 5.405 0 1 HKAF O=C(CC(CC(=O)c1ccc(F)cc1)c1ccccc1C(=O)O)c1ccc(F)cc1 27643462 RBLKNMQIXBYLRR-UHFFFAOYSA-N 408.400 5.293 0 1 HKAF CC[C@@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(C4CCCCC4)oc3C)ccc21 28565221 VZZWXAKUDHTJLN-IFMALSPDSA-N 411.542 5.793 0 1 HKAF CC[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(CCCOCc2ccccc2)c1 29399454 VITJPUXVMNSXDP-SVBPBHIXSA-N 418.577 6.935 0 1 HKAF CCCCc1ccc(NC(=O)Nc2cccc(CCNCc3ccccc3)c2)cc1 45200989 ASRSZAGDHWADNC-UHFFFAOYSA-N 401.554 6.006 0 1 HKAF CC(C)=CCC[C@@]1(C)CCC[C@]2(C)[C@H](Cc3cc(C(=O)O)ccc3O)C(C)=CC[C@H]21 49808386 IIMZFSAVKIVVHG-PPKJMBTNSA-N 410.598 7.158 0 1 HKAF in-vivo O=C(Nc1ccc(F)cc1)N1CCc2cnccc2[C@@H]1c1ccc(C(F)(F)F)cc1 59185686 JWIJQYXDPMEFKN-FQEVSTJZSA-N 415.390 5.419 0 1 HKAF Cc1cccc(-c2ccc3c(c2)[C@@H](N2CCN(C)CC2)Cc2ccccc2S3)c1C 64548654 ALJFHHUCGXIRIJ-VWLOTQADSA-N 414.618 5.966 0 1 HKAF C[C@@H](CCC[C@@H](C)CC(=O)Nc1ccc(O)cc1)CC[C@@H]1[C@@H](C)CCCC1(C)C 72107599 UUDJTOPCDKTLHE-SEDAZVQISA-N 401.635 7.406 0 1 HKAF CC(C)(C)c1cc(CN(Cc2ccccn2)Cc2ccccn2)cc(C(C)(C)C)c1O 82052903 WTIKNMMGNKXMCU-UHFFFAOYSA-N 417.597 5.980 0 1 HKAF COc1ccc(CCNc2cc(Oc3cccc4ccccc34)ncn2)cc1OC 82067693 KSOHKNDFVQGASP-UHFFFAOYSA-N 401.466 5.094 0 1 HKAF O=C(O)c1ccc(-c2cccc3ccccc23)cc1NS(=O)(=O)c1ccccc1 103239721 QUPKRIWWSCOEJJ-UHFFFAOYSA-N 403.459 5.006 0 1 HKAF COc1c(CC=C(C)C)c(O)cc2c1C[C@H](c1ccc(O)c3c1OC(C)(C)C=C3)CO2 103241688 NPCBOHBGCANYKG-INIZCTEOSA-N 422.521 5.518 0 1 HKAF C[C@H]([C@H]1C[C@@H](C)[C@@H](C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118913574 JAVFSUSPBIUPLW-UNRCATAFSA-N 414.674 7.259 0 1 HKAF biogenic,in-vitro CC/C(=C/C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 137593503 WSQWPVHORPUSOR-JIOLUCTLSA-N 414.718 8.025 0 1 HKAF Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3cccc(Cl)c3)cc21 139732782 IXMJJGAOPLWQOP-UHFFFAOYSA-N 408.841 5.296 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12 238786454 CMYUBNXMGMQLSC-VIZOYTHASA-N 422.477 5.518 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]3CC[C@@H]2[C@@H](C)/C=C/C(C)C)C1 255264105 SAWMHXICEQYKKZ-XCTDCHHTSA-N 414.674 7.425 0 1 HKAF Fc1cc(Cl)cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586986723 ZYORYWFGTXFGDB-KRWDZBQOSA-N 408.702 5.303 0 1 HKAF Cc1cncc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c12 587012996 GCTZIIACFWCVDE-UHFFFAOYSA-N 416.937 6.301 0 1 HKAF FC(F)(F)c1cccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 587015926 YSJOKVSOQJADTR-UHFFFAOYSA-N 414.239 6.679 0 1 HKAF CN(C)C(=O)c1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1 587052097 YPJJAQOTPOYHFO-UHFFFAOYSA-N 400.265 5.499 0 1 HKAF O=C(c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133513 RLZIVTQRAAEJKA-UHFFFAOYSA-N 411.569 5.912 0 1 HKAF CCCCCOc1cc2nc(-c3ccc(F)c(OC)c3N)[nH]c2cc1Br 587133742 BCOCEOPRLWQDSH-UHFFFAOYSA-N 422.298 5.291 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3c(F)cnc(Cl)c3[nH]2)c(Cl)c1 587159846 VVXVNYSKMJFLED-KRWDZBQOSA-N 406.219 5.711 0 1 HKAF COC(=O)c1cc2[nH]c(/C(=C/c3ccc(F)cc3)c3cccs3)nc2cc1OC 587163331 HVYFYEMJHMTEEO-MHWRWJLKSA-N 408.454 5.148 0 1 HKAF Fc1ccc2c(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)coc2c1 587175144 QGIYSYKZTDLQBV-UHFFFAOYSA-N 415.140 5.776 0 1 HKAF CC1(C)[C@@H]2CC[C@@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H]2N=O 587336286 MOJZFOLEZNOSOS-PDYAMMPESA-N 409.457 5.220 0 1 HKAF CC[C@@]1(c2ccc(C(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352883 KDSRVKPILJLQPR-RSXGOPAZSA-N 404.481 6.319 0 1 HKAF O=C1c2ccc(O)cc2OC2(CCC(c3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 587356231 ZRZFGPXHWJRAPF-RMIBCPJUSA-N 402.465 5.987 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccccc1-c1ccc(Cl)c(C(=O)O)c1)[C@@H](C2)C3=O 587422579 QSZSZPOJAWOJIE-FDDCHVKYSA-N 420.848 5.203 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC)(Cc1ccccc1Br)CC2=O 587456041 JBZUKNCZQVXAHW-OAQYLSRUSA-N 403.316 5.464 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3cccc(OC)c3)cc1)CC2=O 587482109 RYGUTPFWRFCUOL-AREMUKBSSA-N 402.490 5.901 0 1 HKAF CCC[C@]1(c2ccc(Br)c(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587501082 WCWHWELORDMUMS-HSZRJFAPSA-N 413.355 6.297 0 1 HKAF C[C@H]1CN(c2ccc(F)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H](C)O1 587502919 IVRMOOXHOIIDML-DXMSMQRWSA-N 409.501 5.025 0 1 HKAF CCOC(=O)[C@@]1(c2ccc3ccccc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587524532 RWFRUFMFCWJXAH-SANMLTNESA-N 400.474 5.142 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cc(C(F)(F)F)cc1F 587550160 TYMAHIGSGAPMRT-XLIONFOSSA-N 422.305 5.392 0 1 HKAF CCc1ccccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574924 CTRJRFVBZNEYRD-ZEQKJWHPSA-N 411.457 5.448 0 1 HKAF CC(C)c1ccc(C[C@H](C)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601430 FYCKOTBHZBOLAW-RUJAXMSRSA-N 402.490 5.725 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(Cc1ccccc1)Cc1ccccc1 587603421 OKFPZWJTCBXBGJ-VWLOTQADSA-N 422.480 5.578 0 1 HKAF Cc1ccc(Br)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587682580 ZWWICUMLXJGBFF-BMLIUANNSA-N 413.128 5.283 0 1 HKAF Cc1cc2c(cc1Cl)[C@@]1(C=CO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587693978 FSCUAWNLXDPBFH-WLRWDXFRSA-N 408.698 5.234 0 1 HKAF CC(C)Oc1ccc(Cl)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587698922 QQKBXAPTTPTDLT-WLRWDXFRSA-N 412.730 5.652 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)OC(C)(C)C)cc2)N1 587791109 IGICANDLUBBOHI-BUXKBTBVSA-N 420.322 5.167 0 1 HKAF COc1cccc([C@@H]2CCCC[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)c1 587812229 YRSGECMNWQZYCA-JVJLVOBOSA-N 418.350 5.684 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C(=O)O)ccc1Cl 587854200 CHZRLLKEPUQQCU-UHFFFAOYSA-N 411.672 5.596 0 1 HKAF COc1ccc2sc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)nc2c1 587863598 DGHCUHLUHFRYAO-UHFFFAOYSA-N 405.401 5.185 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nc2ccccc2s1 587866312 AHZDGNNWNPFYGD-UHFFFAOYSA-N 417.412 5.266 0 1 HKAF O=N[C@@H](COc1cc(F)cc(F)c1)n1c(-c2cccs2)ccc1-c1cccs1 587945684 PEGIVQRQGQIPRZ-HXUWFJFHSA-N 416.474 6.567 0 1 HKAF Oc1cc(-c2ccc(Cl)cc2)c(O)n1CC1CCN(Cc2ccc(F)cc2)CC1 587947064 RGSWVNULUOBFRX-UHFFFAOYSA-N 414.908 5.271 0 1 HKAF C[C@@H](C(=O)C(F)(F)F)[C@@]1(c2ccccc2)c2ccsc2CCN1Cc1ccco1 962706348 LWBDXILEADNDTO-YCRPNKLZSA-N 419.468 5.411 0 1 HKAF Cc1ccccc1COc1c(C)cc([C@H]2NCCc3c(C(=O)O)cccc32)cc1C 963129460 FDKZJNUFWAZYHI-XMMPIXPASA-N 401.506 5.124 0 1 HKAF O=C(O)CCCCCC[C@]1(c2ccc(Cl)c(Cl)c2)NCCc2ccc(O)cc21 963339770 BSBDKDSLOCVSSB-JOCHJYFZSA-N 422.352 5.514 0 1 HKAF COc1ccc2c(CN3CCC(F)(F)[C@@H](CCc4ccccc4F)C3)c[nH]c2c1 1772646388 HLMGMHBIOBCBDL-SFHVURJKSA-N 402.460 5.406 0 1 HKAF O=C1CN(Cc2ccsc2)[C@@H](c2ccccc2)c2cc(Br)ccc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c1c(-c2ccc(OC)c3c(OC)cc(C)cc23)c(O)cc2c1[C@H](C)N(C)[C@@H](C)C2 2356584624 LJOLOTQJTYGVTJ-HOTGVXAUSA-N 421.537 5.484 0 1 HKAF O[C@H](COc1ccccc1)CN1CCC(c2ccc(Oc3ccccc3)cc2)CC1 3981917 FXLWBYZTEVJBSX-QHCPKHFHSA-N 403.522 5.098 0 1 HKAF CCCc1cc(C(=O)CC)cc(CCC)c1O[C@H](C(=O)O)c1ccc(CC(C)C)cc1 12358584 HRTLXQVBSLLONR-SANMLTNESA-N 424.581 6.588 0 1 HKAF CN1C[C@@H]2[C@H](C1)CN(c1ccccc1)C21CCN(C2CCCCCCCCC2)CC1 13492997 BKZJNLHLIQDJQK-ZEQKJWHPSA-N 409.662 5.412 0 1 HKAF CCc1cccc(-c2cc(Oc3c(Cl)cc(CC(=O)O)cc3Cl)ccc2O)c1 14969178 KQFKSVJRLVHACY-UHFFFAOYSA-N 417.288 6.348 0 1 HKAF CCC[C@]1(CCc2ccccc2)CC(=O)[C@H]([C@@H](c2ccccc2)C2CCCC2)C(=O)O1 18175836 RBPIPBZFKMTZPW-REUBFRLUSA-N 418.577 6.264 0 1 HKAF Cc1cc(C)cc(-c2c(OCC[C@H]3CCCCN3C)c3ccc(Cl)cc3[nH]c2=O)c1 26579106 QXSVXBXAWRMBCQ-HXUWFJFHSA-N 424.972 5.719 0 1 HKAF Brc1ccc(Cn2ccc3nc(CCCCc4ccccc4)nc-3c2)cc1 28708475 HXEVYWOYUYIBAC-UHFFFAOYSA-N 420.354 5.759 0 1 HKAF Clc1ccc2c([C@H](c3ccc(CN4CCCC4)cc3)n3ccnc3)ccnc2c1 29135171 JURWEGYLSIHHLS-DEOSSOPVSA-N 402.929 5.318 0 1 HKAF C[C@@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O 33820974 GMTQWYNNGJJVNK-MEIHYERPSA-N 418.662 6.533 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@@H](C)CC(=O)[C@](C)(CCC(=O)O)[C@H]3CC[C@@]21C 36330304 GOSURFASCRNOMA-BQFJAWCNSA-N 418.662 6.988 0 1 HKAF CC1(C)CCC[C@]2(C)Oc3c(c(O)cc4oc(-c5ccc(O)c(O)c5)cc(=O)c34)C[C@@H]12 43079339 AWGPELCDBUFEAW-OFVILXPXSA-N 422.477 5.097 0 1 HKAF biogenic CCN(Cc1c(C(F)(F)F)nc2n1CCCN2c1c(C)cc(C)cc1C)CC1CC1 49066913 FMBFIQFYUDVGOU-UHFFFAOYSA-N 420.523 5.601 0 1 HKAF O=C(CCC1CCN(Cc2cccc(F)c2)CC1)c1cc2c3c(ccn3C(=O)CC2)c1 66100482 OYOUZDWCUVNLTD-UHFFFAOYSA-N 418.512 5.242 0 1 HKAF CC[C@H](C)Nc1ncc(-c2nc(C)c(C)s2)c(-c2ccc(-c3ccccc3)cc2)n1 82176837 DLZWEIQKLIZPBS-INIZCTEOSA-N 414.578 6.761 0 1 HKAF Nc1nc2ccc(-c3cccc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)nc2s1 95563158 JNMFUCRDXMUHAS-UHFFFAOYSA-N 414.412 5.212 0 1 HKAF Cc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)s1 95582079 OBBYVBXNAYSSES-VWLOTQADSA-N 410.542 6.422 0 1 HKAF Cc1ccc([C@@H]2c3c(nc4c(c3N)CCCC4)Oc3c2c(=O)oc2ccccc32)cc1 96284164 WDXBVMSYHHZRAR-HXUWFJFHSA-N 410.473 5.243 0 1 HKAF CC/C=C\C/C=C\C/C=C\CCCCCCCCN[C@H](CO)Cc1ccc(O)cc1 103258197 IOCCNVKRHQQEDG-HJTZXXRGSA-N 413.646 6.475 0 1 HKAF CC(=O)c1ccc(OCc2ccccc2)cc1O[C@H](CCC(=O)O)c1ccccc1 140522443 GWPUVRXZIAEMEQ-HSZRJFAPSA-N 404.462 5.453 0 1 HKAF CC(=O)COc1cccc([C@@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 142049419 UZJSWVBCLVCUOH-OAHLLOKOSA-N 418.522 5.203 0 1 HKAF Cc1nc(-c2cccc(CSc3ccc(C(=O)Nc4ccc(F)cc4)cn3)c2)no1 145238837 UVDLCESRTFKSKX-UHFFFAOYSA-N 420.469 5.124 0 1 HKAF O=C(NCCC1CCCCC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 147562847 PYYCTBBTZJHZSI-UHFFFAOYSA-N 416.525 5.713 0 1 HKAF COc1ccc2nc(CNc3ccc(-c4c(-c5ccncc5)cnn4C)cc3)ccc2c1 169326623 NFPWUDBWLPAQJC-UHFFFAOYSA-N 421.504 5.318 0 1 HKAF Cc1cc(C)c2nc(Oc3ccc(Cl)cc3)cc([C@@H](O)C[C@@H]3CCCCN3)c2c1 169334693 HMFTTZWNNVQUJV-AVRDEDQJSA-N 410.945 5.863 0 1 HKAF Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-c2ccc(F)nc2)cc1 169341700 IUSIQRUSYSTHCC-UHFFFAOYSA-N 412.512 6.389 0 1 HKAF Cc1ccc(CCC[C@H](C)c2cc(O)c3c(c2)OC(C)(C)C2=C3C[C@@H](C)CC2)cc1 169343231 AODDJPHHPOFQBO-PMACEKPBSA-N 404.594 7.572 0 1 HKAF O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2ccccc2F)cc1 216052799 YYILFEFVODHAME-UHFFFAOYSA-N 406.888 5.524 0 1 HKAF C[C@H](NCCc1ccccc1)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253633368 LFPKSAIPLRXRML-JPICPFBJSA-N 421.669 6.147 0 1 HKAF C[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(Br)cc1F 253994813 CIPDVFAPNIGCCR-STCFGPAYSA-N 414.318 5.500 0 1 HKAF CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H]([C@H](C)[C@H](O)CCC(C)C)[C@@]4(C)CC[C@@H]32)C1 255206962 DNOWADDTTWTLLY-GUVHOESISA-N 416.690 7.014 0 1 HKAF C/C=C(\CC[C@@H](C)[C@@H]1C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1)C(C)C 255214440 GZZSNPZMOGPILP-UEJVCKGPSA-N 412.702 7.945 0 1 HKAF O=C1O[C@@H](c2c(Cl)cccc2Cl)CC(O)=C1Sc1ccccc1Cl 299822698 DDLCHXMXOONKTL-CYBMUJFWSA-N 401.698 6.197 0 1 HKAF Cc1c(Br)cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1C 587015726 JDZGHJCXUOFFAA-UHFFFAOYSA-N 418.747 6.386 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(C)c(C)c5[nH]4)c23)cc1 587040390 ZBLBRPLVOCRGFD-UHFFFAOYSA-N 416.575 6.452 0 1 HKAF Fc1cc2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2cc1-n1cccn1 587050415 KADRLHNZIXISIG-UHFFFAOYSA-N 413.239 6.122 0 1 HKAF Clc1cccc(OCc2ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)o2)c1Cl 587057869 WDCPJSFXYQNWET-UHFFFAOYSA-N 417.248 5.480 0 1 HKAF COc1cccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c12 587083039 ZVRJWCHJVCCQFJ-UHFFFAOYSA-N 401.853 5.813 0 1 HKAF CCOC(=O)Cc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587098939 WBFDNSIQVQXWTQ-UHFFFAOYSA-N 407.469 5.527 0 1 HKAF Cc1cc(C)c(C(=O)Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(C)c1 587099567 NDVVSUOMAXTFFL-UHFFFAOYSA-N 405.497 6.105 0 1 HKAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cnc3ccccc3c2[nH]1 587231094 MJEDBAOLYLOLEA-UHFFFAOYSA-N 423.476 5.000 0 1 HKAF Oc1ccc(Nc2cccc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c2)cc1 587242204 IYWZACWPIMNOIU-UHFFFAOYSA-N 409.514 6.830 0 1 HKAF Cc1ccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587331758 BVUQGPFMOHGZJG-GBCOPJIJSA-N 417.480 5.169 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H](Cc3ccccc3)C2)[C@@H]1c1ccc(F)cc1 587351027 IZQXZIOOAGEJCN-UYDITSSVSA-N 416.492 6.062 0 1 HKAF CC1(C)[C@H](c2ccccc2)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587352869 JZCYMWRDUHMHGG-SYVJQLTCSA-N 402.465 5.843 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 587355881 XGJADAVXYHJPHV-LNXUECGXSA-N 402.465 5.987 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCCCCCCCCC3)c1 587364819 DEPVWSFDYOHDET-UHFFFAOYSA-N 413.561 7.876 0 1 HKAF COc1ccc(-c2csc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)n2)c2ccccc12 587413053 LQEDTDPCZRJTRP-QFIPXVFZSA-N 416.502 5.569 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc(OCc4ccccc4)c1)[C@@H](C2)C3=O 587419796 LTMLSFKKVXZTIL-GBXCKJPGSA-N 406.865 5.416 0 1 HKAF COc1cc2c3c(c1)O[C@@](CCc1ccc(Br)s1)(C(C)C)[C@@H](C2)C3=O 587451511 PBHRQPRDWNEOIE-YWZLYKJASA-N 421.356 5.294 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc(Cl)cc1Cl)CC2=O 587463407 WPOLCCXGPRPCRK-NRFANRHFSA-N 416.304 6.149 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1ccc(F)cc1)(c1ccc(Cl)cc1)CC2=O 587465253 BTZHTSPYERLNHI-VWLOTQADSA-N 424.899 6.241 0 1 HKAF CCCC[C@@H](CC)COc1ccc([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587481374 LSJLVHRZDMWMRY-WINIVTDRSA-N 424.581 6.821 0 1 HKAF C/C(=C\c1cc(Cl)ccc1O)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587704451 UMSCKQGIVSEIQS-FWEGVPFRSA-N 410.714 5.626 0 1 HKAF Cc1cc(OC(F)(F)F)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587715351 BPBMBOBHDQKSER-DYZYQPBXSA-N 418.228 5.419 0 1 HKAF COc1ccc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 587804219 AGKOROYTXPKWKD-LAJNKCICSA-N 400.291 5.374 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC2CCOCC2)(c2ccccc2)N1 587834609 LQXAAVQWUULJKG-NYHFZMIOSA-N 418.350 5.183 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc(Cl)s2)N1 587846582 IDTBZFBEVJNBDW-DYZYQPBXSA-N 402.760 5.685 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCSc3ccc(Cl)cc32)N1 587855503 GKPZDIMPHRCZOB-YPMLDQLKSA-N 412.755 5.515 0 1 HKAF COc1ccc(C)c2sc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)nc12 587864952 WIFXPPHRZYCZHC-UHFFFAOYSA-N 419.428 5.493 0 1 HKAF Oc1ccc(OCCCc2ccccc2)n1-c1cc(Cl)cc(Br)c1 587941009 OVMMVTZQUFIJRN-UHFFFAOYSA-N 406.707 5.610 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3cc[nH]n3)c2)cc(-c2ccc3occ(C)c3c2)n1 653748713 KSSCPLXOOALZNO-INIZCTEOSA-N 409.493 6.070 0 1 HKAF CC(C)(C)C[C@]1(c2ccc(Cl)cc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962698693 JGYZNEXHSUQNOF-CYFREDJKSA-N 418.021 6.523 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCc1ccc(F)cc1)c1cccc(C)c1 963244933 YELOAYCTEYFINN-DWACAAAGSA-N 401.569 6.667 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@]2(c1ccc(Cl)cc1)c1ccc(Cl)nc1 963257958 MIKUECUDAVPWDT-NRFANRHFSA-N 419.739 5.488 0 1 HKAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cc2cc(C(F)(F)F)ccc2s1 963635402 MNKZKYHZAYZYLG-GIPWTMENSA-N 407.457 5.561 0 1 HKAF CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(C)c(Cl)c2)CC1 1772648021 XYZKHUPDHJJHJN-UHFFFAOYSA-N 413.993 5.947 0 1 HKAF O=C(CCCN1CCC(O)(c2ccc(Cl)cc2Cl)CC1)c1ccc(F)cc1 1857546168 IHNSUSUUGKHFOR-UHFFFAOYSA-N 410.316 5.079 0 1 HKAF C/C(=C\CC[P@](=O)(OCOC(=O)C(C)(C)C)Oc1cccc2ccccc12)CO 1857599912 DAIOUUKNATVVHM-LMMYLKGMSA-N 420.442 5.304 0 1 HKAF Cc1cc2nccc(-c3cccnc3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1 1857763951 GSKMUEWNKKRQPF-UHFFFAOYSA-N 409.533 5.413 0 1 HKAF CCOC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356554513 QQQDIFUKWMHWBE-XIOKLJAMSA-N 404.635 5.986 0 1 HKAF CC(C)[C@@H](C)[C@H]1C[C@H]1[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356704505 VYPDNFZRAJIGCV-NSKDVXFMSA-N 414.718 7.571 0 1 HKAF COC1=CC(c2ccc[nH]2)=NC1=Cc1ccc(CCCCCCCCC[C@@H](C)O)[nH]1 2356801864 QXGFTKXBVPCSQE-LJQANCHMSA-N 409.574 5.761 0 1 HKAF CCN1c2ncc(CCc3ccc4ccccc4c3)cc2C(=O)N(C)c2cccnc21 5842268 JCGHBHWUCQLJPI-UHFFFAOYSA-N 408.505 5.163 0 1 HKAF COc1ccc2cc1Oc1ccc(cc1)[C@@H](Sc1ccccc1)CCOC(=O)CC2 6424563 ALLBCYIXUFOALQ-DEOSSOPVSA-N 420.530 6.200 0 1 HKAF COc1cc(Nc2nc(-c3ccc(OC)c(OC)c3)nc3ccccc23)cc(OC)c1 6720346 NSHVYBLLDKSXDM-UHFFFAOYSA-N 417.465 5.075 0 1 HKAF COc1cc(OC)c2c(c1-c1ccc(OC)c3c(OC)cc(C)cc13)C[C@@H](C)N[C@@H]2C 13359119 DVVAMMKTYAWPGW-HZPDHXFCSA-N 421.537 5.445 0 1 HKAF biogenic CCCC[C@H](O)C[C@@H](O)CCCCCCCCCCC(=O)c1c(O)cc(O)cc1O 13380844 FBFXIJVFPQRQJE-OALUTQOASA-N 424.578 5.189 0 1 HKAF biogenic Cc1[nH]c(=O)c2c(ccc3[nH]c(Nc4c(Cl)cc(Cl)cc4Cl)nc32)c1C 13475201 BIDYUGDQYZIBLV-UHFFFAOYSA-N 407.688 5.725 0 1 HKAF c1ccc(CN2CCN(c3nc4scc(-c5ccccc5)c4n4cccc34)CC2)cc1 13755987 RQPNBYPBNQHGRL-UHFFFAOYSA-N 424.573 5.538 0 1 HKAF Oc1ccc(Cc2sc3ccccc3c2-c2ccc(-c3ccc(O)cc3)cc2)cc1 13806740 FQGOQOUGBYYZLV-UHFFFAOYSA-N 408.522 7.237 0 1 HKAF C[C@@H](CCCc1coc(C[C@@H](C)C(=O)O)c1)Cc1cc(CCCc2ccoc2)co1 14439607 XBNXDSNAWAAPPE-RBUKOAKNSA-N 412.526 6.106 0 1 HKAF biogenic CC(C)=CCC/C(C)=C\CC/C(C)=C\CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22851787 DVJCPEWCHQLAEH-RYPJRAMFSA-N 424.629 5.952 0 1 HKAF in-vitro CCOc1ccc(Oc2c(OC)cc(N[C@H](C)CCCN)c3nccc(C)c23)cc1 26293247 DFKRSDRFYOXMEL-QGZVFWFLSA-N 409.530 5.282 0 1 HKAF COc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc3c(c2)OCO3)cc1 27199469 QLMSWKQNACNDBA-RCZVLFRGSA-N 415.489 5.151 0 1 HKAF CCc1cccc(Cl)c1N1C(=O)NCc2nc(Sc3ccc(F)cc3)ccc21 27310613 RALFBQAGUPRMMD-UHFFFAOYSA-N 413.905 5.949 0 1 HKAF C[C@@H](C(=O)OC/C=C/c1ccccc1)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27559643 XWEWIPKKCFHQRD-GIFMJDTOSA-N 420.574 6.142 0 1 HKAF CCOP(=O)(OCC)[C@H](CCCCOc1ccc(OC)cc1Cl)C(C)=O 27751149 YSUQWZYLIBTAOC-GOSISDBHSA-N 406.843 5.121 0 1 HKAF CCCCCn1cc(C(=O)c2ccc3ccccc3c2)c2ccc(S(C)(=O)=O)cc21 29054241 XGCMCUGMWBSZNX-UHFFFAOYSA-N 419.546 5.619 0 1 HKAF in-vitro O=C(O)CC/C=C\C[C@H]1CO[C@H](c2ccc(C(F)(F)F)cc2)O[C@H]1c1cccnc1 36242281 XOQYYYDNOJHZEH-HZPRZSHXSA-N 421.415 5.314 0 1 HKAF CCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1cc(F)ccc1OC 36474057 NEPQQIAKMJSKLZ-UHFFFAOYSA-N 415.940 5.750 0 1 HKAF C[C@@H]1O[C@@H](O)[C@H]2C1=CC[C@@H]1[C@]2(C)[C@H](O)C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C 38989250 QHFVSFLUJAOZGP-GHHYXYIFSA-N 402.619 5.306 0 1 HKAF O=C(O)CCCc1ccc(OCCN(c2ccccc2)c2nc3ccccc3o2)cc1 40379546 AWCKICVHNDPCIF-UHFFFAOYSA-N 416.477 5.452 0 1 HKAF c1cc(-c2ccc(CNCCCn3ccnc3)cc2)cc(-c2nc3ccccc3[nH]2)c1 45228106 KOADMJUUEQYZGA-UHFFFAOYSA-N 407.521 5.273 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4ccc(CN5CCCC[C@@H]5CO)cc4)cc3)nc12 45302050 HRQQYEVHYLDUTM-XMMPIXPASA-N 411.549 5.552 0 1 HKAF O[C@@H](COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2ccccc2)CC1 49050708 FNPRERNONGSACT-JOCHJYFZSA-N 414.549 5.016 0 1 HKAF COc1cc(CC2c3c(Cl)cccc3C(=O)c3cccc(Cl)c32)cc(OC)c1 64393107 UKNOWYPCNORQKO-UHFFFAOYSA-N 413.300 5.930 0 1 HKAF C[C@@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)c(-c2ccc(OC(F)(F)F)cc2)c1 72105287 DTDDOMGQKGSJSR-DYVFJYSZSA-N 406.400 5.352 0 1 HKAF CCC1=N[C@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)N(CC)CC 72113450 LDXRYBCPRRDKRJ-NHCUHLMSSA-N 418.368 6.362 0 1 HKAF C[C@@H](C(=O)Nc1cc(F)cc(F)c1)N(C(=O)c1ccc(Cl)cc1)C1CCCCC1 72128563 ZQMHFHUAKTVQPC-AWEZNQCLSA-N 420.887 5.420 0 1 HKAF CC(C)Oc1ccc(CN2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 73224278 RFJYMCZLLPWSRT-UHFFFAOYSA-N 416.565 5.584 0 1 HKAF Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2)sc1C 82162655 NMQDQHSYXOWFPB-KGSNELEXSA-N 418.610 6.367 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1[C@@H](O)C3 86050119 UABOMWGETQHETN-SWSFJFIFSA-N 416.690 6.894 0 1 HKAF CN1CCN(Cc2ccc([C@@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 95561976 SFUKSBBZRGPCJX-FUPPRZEPSA-N 414.637 5.782 0 1 HKAF Cc1c(OCCCCCN2CCCC[C@@H]2C)ccc2c(=O)cc(-c3ccccc3)oc12 96271276 BDFXZHLXKUDFHC-FQEVSTJZSA-N 419.565 6.192 0 1 HKAF O=C(O)c1ccc(N[C@@H](CC(=O)c2cc3ccccc3o2)c2ccc(Cl)cc2)cc1 103175055 XLNAJOPUHCTGRN-FQEVSTJZSA-N 419.864 6.211 0 1 HKAF CC1(C)C(=O)CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5CCCC(C)(C)[C@@]5(C)CC[C@]4(C)[C@H]3CC[C@@H]12 137937498 VNCZGYRTXJCYPQ-DSEHJZOZSA-N 424.713 8.377 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCN(CC)CC 169334071 LOZCJJDEBAPQGP-OEOXXNNKSA-N 402.667 6.590 0 1 HKAF Cc1ccc(-c2ccc(CNc3nc(-c4ccccc4C(C)C)ncc3C)cc2)cn1 169341058 OKTDDNGPJVMMAE-UHFFFAOYSA-N 408.549 6.558 0 1 HKAF CC(C)CC[C@H](O)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 169684336 MPYAIDWTDSTPEU-RFXIROGFSA-N 420.678 5.554 0 1 HKAF O=c1[nH]c(O)c(Cc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2)s1 169722682 WRBDKRNCNYGKHF-UHFFFAOYSA-N 401.793 5.197 0 1 HKAF CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255287368 ZMYWGDOERFHVLQ-FBZUNEECSA-N 416.646 5.250 0 1 HKAF CCCCN(C)c1cccc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)n1 299820064 CACHJUPULSDEOD-UHFFFAOYSA-N 408.933 6.282 0 1 HKAF FC(F)(F)Oc1ccccc1O[C@@H](CC1CNC1)c1ccc(Cl)c(Cl)c1 299834759 CGKMHQPZZRFYHQ-KRWDZBQOSA-N 406.231 5.622 0 1 HKAF Cc1ccc(C(=O)N[C@]2(C)CCC[C@]3(C)[C@@H]2CC[C@@]24CC(=O)[C@@](C)(CC[C@@H]32)C4)cc1 299856587 CVAZZUXTTKUOGI-FIVJYGDRSA-N 407.598 5.849 0 1 HKAF Clc1ccc(OCc2nc3cccc(Br)c3[nH]2)c(Br)c1 586977382 MKZGXOCEOOZMKV-UHFFFAOYSA-N 416.500 5.320 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(Br)cc4)nc13)-c1ccccc1C2=O 586993372 LAVUQLGWUCAINF-UHFFFAOYSA-N 400.275 6.184 0 1 HKAF Brc1ccc(NCCc2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 586995230 HKZFNLIEQQJXBT-UHFFFAOYSA-N 422.326 5.559 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(Br)ccc4F)nc13)-c1ccccc1C2=O 586996123 PNZPYEUTEWTAGR-UHFFFAOYSA-N 418.265 6.323 0 1 HKAF CSc1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 586998682 NDGKRLKPIQZPGU-XFFZJAGNSA-N 411.324 6.478 0 1 HKAF Fc1cc2[nH]c(-c3nc(Br)sc3C3CC3)nc2cc1Br 587012918 NNZIDCFJJODOKG-UHFFFAOYSA-N 417.101 5.228 0 1 HKAF COC(=O)c1ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c1 587015251 ISXDABBCQSPGQU-UHFFFAOYSA-N 404.278 5.447 0 1 HKAF Cc1cc(Br)cc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c12 587029197 KQWFENWDIFDCAI-UHFFFAOYSA-N 424.327 5.155 0 1 HKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587066136 JSQWJRLTZTXBPM-SECBINFHSA-N 405.203 6.217 0 1 HKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587070728 VXOUWXZZGFRPMO-VIFPVBQESA-N 401.215 6.265 0 1 HKAF Cc1c(Cl)ccc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 587072469 QQRZRQJFNOTBHW-NZWVAMESSA-N 405.756 7.198 0 1 HKAF CCOC(=O)c1ncc(Cl)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104126 OGHLJNVPFKAWOX-UHFFFAOYSA-N 414.848 5.338 0 1 HKAF CC(C)COc1cc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2cc1Br 587115572 QCWKDUULFGNMTI-UHFFFAOYSA-N 414.225 5.441 0 1 HKAF FC(F)(F)c1nc2ccc(-c3nc4cc(Cl)cc(Br)c4[nH]3)cc2[nH]1 587120159 AAQIVYIXGYLIJH-UHFFFAOYSA-N 415.600 5.541 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)ccc2F)cc1 587139444 JPINMCWBTRHDNY-UHFFFAOYSA-N 402.322 5.795 0 1 HKAF CC(C)Oc1cc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1Br 587152857 SPMRMHHASYEZGD-RYUDHWBXSA-N 407.258 5.662 0 1 HKAF COc1cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1Cl 587159382 OGBDYTBGXCKLTQ-HXUWFJFHSA-N 417.267 6.186 0 1 HKAF Cc1ccc(-c2nc3cccc4c3c(c2CCCC(=O)O)-c2ccccc2C4=O)cc1 587206130 HFJODKIVLUFITG-UHFFFAOYSA-N 407.469 5.829 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3ncc(Cl)cc32)[C@H]1c1ccc(F)cc1 587330577 NVHSCRAAELWKFA-JTHBVZDNSA-N 409.844 5.170 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3cccc(Cl)c32)[C@@H]1c1ccc(F)cc1 587331407 PNEUNCHKUNEAIN-ISKFKSNPSA-N 408.856 5.775 0 1 HKAF COc1ccc([C@@]2(C(C)(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587346342 BJRQVEBDIOEQOF-JYFHCDHNSA-N 420.480 5.840 0 1 HKAF COc1cc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C 587355630 YVKQNIJHGBNWJW-ZCYQVOJMSA-N 406.453 5.431 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(OC)ccc2OCC3)c1 587367128 TUOQBLKXNFSZPW-UHFFFAOYSA-N 423.468 6.267 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccc(F)c(C)c1)(c1ccccc1Cl)[C@@H](C2)C3=O 587424678 RXTHPXDPOZOUMM-UUOWRZLLSA-N 408.856 5.487 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c(OCc4ccccc4)cccc31)CC2=O 587481651 RFEKFTQBVCPKTO-MHZLTWQESA-N 414.501 5.731 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccccc2N[C@H]1c1ccccc1 587484760 NMBLKUCPEAXQMQ-AZGAKELHSA-N 413.473 5.098 0 1 HKAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1OC(C)C 587496793 FSFLKXGDEIZLCO-FQEVSTJZSA-N 400.902 5.721 0 1 HKAF C[C@@]1(c2ccc(-n3cnc4ccccc43)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587516111 QVWSUNHWINWLCS-MHZLTWQESA-N 408.501 5.785 0 1 HKAF Nc1sc2c(c1[C@@]1(c3cccnc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 587535050 HZMVQXOFTUFACV-VWLOTQADSA-N 416.546 5.002 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(SC(F)(F)F)cc1 587558637 XTDWKFVNAGZRKG-FXAWDEMLSA-N 418.392 5.707 0 1 HKAF Cc1cccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 587602564 JZRNGCIIGRHXSG-RPLLCQBOSA-N 408.453 6.071 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(/C=C\c2ccccc2)cc1 587603726 RFDWTXVAHJUNHZ-PBCNGUQSSA-N 420.464 6.266 0 1 HKAF CC(C)c1cccc2c1OCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608586 LFGBTUOGXNEYPH-PXDATVDWSA-N 402.446 5.155 0 1 HKAF CC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623136 ZIXBYTQKDHJPIB-UHFFFAOYSA-N 422.204 5.695 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(F)(F)F)c2F)N1 587711887 MZYUCHLFOVCORL-ZKANADHPSA-N 406.192 5.370 0 1 HKAF Cc1ccc(-c2cnc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1C 587776540 XVAMIZTWWUXMHU-RNODOKPDSA-N 415.306 5.484 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](c3ccccc3)c3ccccc32)N1 587817827 NKIVFXNCVPBEDC-YIEPVFBUSA-N 422.341 5.902 0 1 HKAF Cc1ccc([C@]2(C3CCCCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587820700 QEEWMHXXHAOOOD-MWTRTKDXSA-N 416.378 6.255 0 1 HKAF CC(C)Sc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587841987 CTHRUCNCCBUHKE-ZUOKHONESA-N 408.380 5.886 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1c(Cl)cccc1Cl 587864165 MEIMCLUOUDGDDP-UHFFFAOYSA-N 415.242 6.323 0 1 HKAF Cc1cc(-c2ncc(CC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3-4)cc2C)ccn1 653687117 TUQVGWZSKDQWEB-UHFFFAOYSA-N 419.484 5.153 0 1 HKAF CCC/C=C/C[C@H]1C/C=C/C=C(C)/C=C/C=C\[C@H](O)C/C=C(C)/C=C/C=CC(=O)N1 653717561 UMYFIUGQWGBKLX-OJXQJZJDSA-N 407.598 6.046 0 1 HKAF O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CCc2ccccc2N1C(=O)c1ccccc1 653840690 ITLWBMPURIFOFS-NRFANRHFSA-N 424.422 5.306 0 1 HKAF CCCOc1ccc([C@]2(CCC(=O)O)NCCc3cc(-c4ccccc4)ccc32)cc1 962667116 MRAKPTCRIRTQTP-MHZLTWQESA-N 415.533 5.397 0 1 HKAF Cc1cccc([C@@]2(c3ccc(F)c(F)c3)NCCc3c(Cl)cc(Cl)cc32)n1 963107180 LZMJNFTURVHVBJ-NRFANRHFSA-N 405.275 5.413 0 1 HKAF Cc1ccccc1[C@]1(c2cnc3ccccc3c2)c2ccc(F)cc2C[C@@H]2CCCN21 963115921 WHISMLASJJBGJT-RBJSKKJNSA-N 408.520 5.995 0 1 HKAF O=C(O)CCC[C@]1(c2cc(Cl)ccc2Cl)c2ccc(F)cc2C[C@@H]2CCCN21 963119884 ZXHSSUQRDUUYKQ-HTAPYJJXSA-N 422.327 5.652 0 1 HKAF CCCN1[C@H](c2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)c2ccccc2C[C@H]1C 963235110 FVLQUVCOYMZOHP-IERDGZPVSA-N 413.562 5.180 0 1 HKAF Cc1ccc2c(n1)N(Cc1ccccc1)C[C@@H](C)N(C(=O)NCc1ccccc1)[C@H]2C 1772589187 QSHWTNUNZINWPC-RTWAWAEBSA-N 414.553 5.072 0 1 HKAF CCCN1CC[C@H]2c3cc4ccc(C(F)(F)F)cc4nc3[C@H](CC)[C@H]3CCC[C@@H]1[C@@H]32 1772629112 LILDBTJYRFAMFE-VCSLONGPSA-N 416.531 6.745 0 1 HKAF COc1ncc(NCCCOc2c(-c3ccc(F)cc3)nc3ccc(C)cn23)cc1C 1772633851 IOVVDOSNWDPVII-UHFFFAOYSA-N 420.488 5.042 0 1 HKAF CCCCCCC(C)(C)c1cc2c(c3c1CCCO3)-c1c(cnn1CC)C(C)(C)O2 1857567924 RCKHMOCSJZRSNE-UHFFFAOYSA-N 410.602 6.771 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](c3ccsc3)Nc3c(ccc4c3CCCC4)[C@@H]21 1857574579 QXEBBPGCVMMMOF-URVUXULASA-N 410.583 6.092 0 1 HKAF O=C(c1ccccc1Cl)c1scnc1-c1ccc(Cl)c(C(F)(F)F)c1 1857769586 JPEAWZVRJALMPL-UHFFFAOYSA-N 402.224 6.367 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]1CC[C@@H]1[C@@H]2CC=C2C[C@@H](O)CC[C@@]21C)C(C)C 2356662091 BXOXOWBUVFPMTG-LCMIYBNJSA-N 400.691 7.635 0 1 HKAF C[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@]3(C)CC[C@H]3C(C)(C)CCC[C@]34C)[C@H]2[C@@H]1C 2356706038 OOTXFYSZXCPMPG-PMWQLOMDSA-N 412.746 9.134 0 1 HKAF CCC(=CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 2356762479 ZTQJBFUXLOAEBX-DEDHFYCESA-N 410.686 7.865 0 1 HKAF CCCCCN1C(=O)c2ccccc2[C@@]2(C(=O)OCC)Cc3cc(Cl)ccc3[C@@H]12 95567925 KAYRWXZLQMBEJR-QPPBQGQZSA-N 411.929 5.084 0 3 HKAF O[C@@H](c1ccc(Cl)cc1)c1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 205215149 IVSXLFJGSUTFNY-IBGZPJMESA-N 409.898 5.809 0 3 HKAF Brc1ccc([C@H]2[C@@H]3CSc4ccccc4C3=NN2c2ccccc2)cc1 6041569 AFHSHLMTBPFEII-KNQAVFIVSA-N 421.363 6.137 0 1 HKAF C[C@H](CCCCOc1cc(-c2ccc(Cl)cc2)cc(-c2ccccc2)n1)C(=O)O 13729725 LLXWFRMECZGHPV-QGZVFWFLSA-N 409.913 6.339 0 1 HKAF CC(C)CCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)O 14490980 LZCRDJFEDQYGND-VWLOTQADSA-N 412.699 8.280 0 1 HKAF biogenic COc1ccccc1-c1ccc2c(c1)C(CSc1ccc(Cl)cc1)=CC(C)(C)N2 14968678 DKLYGWOPRPJURQ-UHFFFAOYSA-N 421.993 7.395 0 1 HKAF COc1ccc(CCN2CCC[C@H](COC(c3ccccc3)c3ccccc3)C2)cc1 27194583 AUEOAWWFYNPUPM-DEOSSOPVSA-N 415.577 5.756 0 1 HKAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2ccccc2)cc1 28221296 WKEJBZUIFJZTOB-UHFFFAOYSA-N 408.523 6.143 0 1 HKAF O=C(Nc1ccc2nc(NC(=O)C3CCCCC3)sc2c1)c1cccnc1Cl 28465025 QOUPVBUAEKQAOB-UHFFFAOYSA-N 414.918 5.116 0 1 HKAF O=C(O)Cc1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl 34270923 JDODANGOYUAOQT-UHFFFAOYSA-N 417.288 5.779 0 1 HKAF in-vivo O=C(Nc1cccc(Oc2ccccc2)c1)N[C@@H](CN1CCCC1)c1ccccc1 45323461 GZPORDABTPOBIY-DEOSSOPVSA-N 401.510 5.438 0 1 HKAF FC(F)Oc1ccc(-c2ccnc3cc(-c4ccccc4)nn23)cc1OCC1CC1 45385949 YTHDHWAAWWAEPI-UHFFFAOYSA-N 407.420 5.454 0 1 HKAF CC(C)=C(c1ccncc1)c1ccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)cc1 53314671 ZHAKRSNTPRJVEC-UHFFFAOYSA-N 400.522 6.937 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)[C@@H](c1ccc(O)cc1O)CO2 59729229 FXULBICJYGBORJ-ZSTKBLHXSA-N 424.493 5.103 0 1 HKAF FC(F)(F)c1cccc(-n2cc(C3=NO[C@H](C4CCCCC4)C3)c3ccccc32)c1 66077740 XGNOCHTWZWMMNL-QHCPKHFHSA-N 412.455 6.723 0 1 HKAF O=C(NC1CCCCC1)[C@H](C1CCCCC1)n1c(-c2ccncc2)nc2ccccc21 66252575 JWYJJTYZBIQOGC-DEOSSOPVSA-N 416.569 5.669 0 1 HKAF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc(F)cc3)n2)C1 82139885 SADRXPXKCDHRJO-ROUUACIJSA-N 424.564 5.170 0 1 HKAF COCCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc(F)cc2)n1 82164108 CHVWOARTSYLZMP-UHFFFAOYSA-N 418.472 5.362 0 1 HKAF Cc1oc(-c2cnc(NCC3CC3)nc2-c2ccc(F)cc2)nc1-c1ccccc1 82164316 IJKYQLVUMONTQQ-UHFFFAOYSA-N 400.457 5.735 0 1 HKAF Cc1c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2ccccc2c1=O 84652190 AYYGEPUZBKGCLO-UHFFFAOYSA-N 409.407 5.993 0 1 HKAF O=C(O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(C2CCCCC2)n1 95592306 GZCDUXHGOAMQOY-UHFFFAOYSA-N 404.510 5.966 0 1 HKAF O=C(O)c1cc(C2CC2)ccc1Cc1cnc(-c2cc(C(F)(F)F)ccc2F)nc1 96173381 CTUOISHSCABQFI-UHFFFAOYSA-N 416.374 5.468 0 1 HKAF CC[C@H](C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc(C)o1 100703555 COEQXPGBKDYXTQ-SJCJKPOMSA-N 413.543 5.824 0 1 HKAF Cc1cccc(Cc2n[nH]c3cc(O)c(C(=O)N(C)Cc4ccc(Cl)cc4)cc23)c1 116961954 UBRJYXJWUMYXSG-UHFFFAOYSA-N 419.912 5.093 0 1 HKAF CCCCn1cc(Oc2ccc(Cl)cc2Cl)c(=O)cc1COc1ccccc1 141752066 GHFCHLAIMPKCCG-UHFFFAOYSA-N 418.320 6.327 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3cccnc3)c2)cc(-c2ccc3ncsc3c2)n1 142354653 CQLPQCLBTVJBBQ-INIZCTEOSA-N 423.545 6.297 0 1 HKAF COC(=O)N1C(/C=C/C=C\c2ccc(OC)cc2)=Cc2ccccc2[C@@H]1CC(C)=O 169313679 PSOQXJJOHWTUNT-AIPNAWIVSA-N 403.478 5.408 0 1 HKAF CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCN(C(=O)CN)C=C21 169319665 FUOPUFUPGVAHIK-MBOZVWFJSA-N 414.590 5.031 0 1 HKAF COc1ccccc1[Si](C)(C)COc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 195189700 PVQMRIYBVJAQBE-UHFFFAOYSA-N 400.635 5.529 0 1 HKAF Clc1ccc([C@@H](c2ccc(OCCN3CCCCC3)cc2)c2cccs2)cc1 206289820 MBOIVZVEMKDDBY-DEOSSOPVSA-N 411.998 6.446 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 261496328 HWOOALPDOJHOPO-ZEMOPWSRSA-N 402.663 6.648 0 1 HKAF endogenous,in-man C[C@@H]1CCC([C@H](C)[C@H]2CC[C@@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)=NC1 299812584 QAGPPGDCPAPQLW-WNKJZEKUSA-N 413.646 5.692 0 1 HKAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4cccc(C)c4[nH]3)c(=O)oc2c1C 586918142 KUCAYACDYRKKSM-UHFFFAOYSA-N 402.494 5.530 0 1 HKAF Cc1cc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2cc1Br 587049636 CSPSHYOIDFNBSK-UHFFFAOYSA-N 422.109 6.868 0 1 HKAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(O)c(Br)ccc2[nH]1 587076589 KTRPMOJVAXDXBL-UHFFFAOYSA-N 416.662 5.119 0 1 HKAF COc1ccc2cc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c(=O)oc2c1 587102423 QGLUBLUVTARDPA-UHFFFAOYSA-N 419.436 5.537 0 1 HKAF CC(C)(C)c1cccc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c12 587112862 FKNLWZDSVVRMGQ-UHFFFAOYSA-N 421.488 5.751 0 1 HKAF Clc1cc(Cl)c2[nH]c(-c3cc(I)ccc3Cl)nc2c1 587182545 JBUMUCDKJXOQKI-UHFFFAOYSA-N 423.468 5.795 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c(-c3cccnc3NCc3ccccc3)nc2c1 587229558 IBEZJIFRKMLLBR-UHFFFAOYSA-N 402.807 5.909 0 1 HKAF CNc1cccc(-c2cccc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)c2)c1 587234346 FIAPWJFMFKOKCU-UHFFFAOYSA-N 406.327 6.318 0 1 HKAF CC(C)(C)C(=O)Nc1cccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 587241703 HMDJXJFZIVELJJ-UHFFFAOYSA-N 407.699 5.025 0 1 HKAF CC1(C)[C@H]2CC[C@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H]2N=O 587336292 MOJZFOLEZNOSOS-WUFJTIIOSA-N 409.457 5.220 0 1 HKAF COc1cccc(-c2cc(CCSc3ccccc3)nc3c2oc2ccccc23)c1 587367018 WLVOPHKLTOIXDJ-UHFFFAOYSA-N 411.526 6.991 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Br)cc(C(F)(F)F)c1)O2 587381739 KTZBGVVVVYJMNU-QGZVFWFLSA-N 414.221 5.239 0 1 HKAF COc1ccc(OC)c(Sc2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587410488 NSFHNYGDARBRCH-NRFANRHFSA-N 421.518 5.452 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccccc1OCc1ccc(F)cc1)[C@@H](C2)C3=O 587426499 COYIQLHXSMJKGD-NBGIEHNGSA-N 404.437 5.076 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCc1c(C)noc1C)CC2=O 587481595 GWABQAPCCZGHNJ-HSZRJFAPSA-N 407.466 5.235 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1c(N)sc3c1CCC3)CC2=O 587497442 WGAIXENZEPUSQP-VWLOTQADSA-N 419.546 5.386 0 1 HKAF O=C1C[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)Oc2c1ccc1c2CCCC1 587499234 HZJPJFZCPZWENS-VWLOTQADSA-N 418.920 6.504 0 1 HKAF O=C1C[C@H](c2ccccc2OCc2ccccc2F)Oc2c1ccc1c2CCCC1 587501826 FXSMCBIAPIZEQS-RUZDIDTESA-N 402.465 5.990 0 1 HKAF O=C1C[C@@H](c2ccc(OC(F)F)c(Br)c2)Oc2c1ccc1c2CCCC1 587508985 UYMTYGNEXYFYGX-SFHVURJKSA-N 423.253 5.636 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1Cl)C1CCCC1 587547835 NPEBRRKFLIFOIW-WIOPSUGQSA-N 420.892 6.093 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1c(C(F)(F)F)cccc12 587557948 UCVUCKDUBKUXLP-UGKGYDQZSA-N 412.363 5.214 0 1 HKAF Cc1ccc(-n2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c(C)c1 587577303 NACATASUWUMHFS-ZEQKJWHPSA-N 411.457 5.503 0 1 HKAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cc1cccc(C(F)(F)F)c1 587622290 IEORIFBRKQLYJW-UHFFFAOYSA-N 408.221 5.725 0 1 HKAF Cc1c(-c2ccc3c(c2)cc(O)n3C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627607 FHTKMUODFPZLDO-UHFFFAOYSA-N 412.333 6.378 0 1 HKAF Cc1cc(Cl)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1Cl 587691349 DWDHCUDIRPCQTA-HUTHGQBESA-N 403.122 5.827 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(C(C)(C)C)N1 587702280 OXJSJXCHEASHCZ-YUNKPMOVSA-N 410.758 6.066 0 1 HKAF Clc1ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2c1 587783082 WCAUJWZCLRVYAE-UHFFFAOYSA-N 424.931 7.053 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)OC(C)(C)C)cc2)N1 587791112 IGICANDLUBBOHI-HXPMCKFVSA-N 420.322 5.167 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OC2CCCC2)N1 587810316 KQWUSPZANQEWBS-ASSNKEHSSA-N 404.323 5.533 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3ccccc3)c2)N1 587810813 MBNOVDYPGSBQHU-JLCFBVMHSA-N 412.302 6.004 0 1 HKAF COc1cccc([C@@H]2CCCC[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)c1 587812231 YRSGECMNWQZYCA-VELBRHGASA-N 418.350 5.684 0 1 HKAF Cc1cc(C)c2c(c1)CC(C)(C)C[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587823981 SSICHMYHNZYPEO-WNSKOXEYSA-N 416.378 5.955 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2C[C@H]2c2ccc(Cl)s2)N1 587845259 DERRFNCZYRZXDT-BRMQSEGFSA-N 414.771 5.856 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1C[C@@H]1c1ccc(C)cc1 587865506 AKCLFHOJCBBRBI-MOPGFXCFSA-N 414.427 5.720 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1c(C)cccc1C 587867318 WVAHEZGXTPRCIO-UHFFFAOYSA-N 419.472 5.830 0 1 HKAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587928071 VWHUKUZRIHKJAN-FQEVSTJZSA-N 402.494 5.701 0 1 HKAF Cc1sc2c(c1C)CCN[C@@]2(c1ccc(F)cc1)c1cnc(-c2ccccc2)s1 963013996 SNAPMWCYKNIPBU-DEOSSOPVSA-N 420.578 6.065 0 1 HKAF COc1cc(-c2ccc[nH]2)[nH]c1C1=C2N=C3C=C2[C@H](C(C)C)[C@H]1CCCCCCCC3 2356328495 WFQBWWYLMSACAV-NTKDMRAZSA-N 417.597 7.147 0 1 HKAF COC1(O[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5C[C@H]6S[C@H]6C[C@]5(C)[C@H]4CC[C@]23C)CCCC1 2356331416 IVDYZAAPOLNZKG-BALFHBKISA-N 404.660 6.425 0 1 HKAF C[C@@H]1CC[C@]2(C)[C@H](C)CC[C@H](O)[C@]23CC[C@@H]2[C@H](c4c[nH]c5cccc(c45)C2(C)C)[C@@H]13 2356382957 TYGWKVZJNJYVND-VLHHXMCOSA-N 405.626 6.782 0 1 HKAF COC1=CC(=O)O[C@H]([C@H](C)C[C@@H](C)CC[C@H](O)CC(=CCl)Cc2ccccc2)C1 2356786759 BANUALHDPUSWKA-OXHIVJRSSA-N 420.977 5.391 0 1 HKAF CN(C(=O)c1cc(COc2ccc(F)cc2Cl)on1)[C@H]1CCCc2ccccc21 12586470 CLKVLFNZCGGXRL-FQEVSTJZSA-N 414.864 5.196 0 3 HKAF CC(=O)N[C@@H](c1ccc(F)c(F)c1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 61925573 BXXDKCLHYBITON-KRWDZBQOSA-N 412.383 5.333 0 3 HKAF Fc1ccc(-c2nc3ccc(Cl)cn3c2Cc2ccccc2C(F)(F)F)cc1 72121362 OBQPHXLCJQCMJU-UHFFFAOYSA-N 404.794 6.403 0 3 HKAF CCOC(=O)C1(Cc2ccccc2)CCN(Cc2ccc(C(F)(F)F)cc2)CC1 201475617 YCRZSLKSAVJSIJ-UHFFFAOYSA-N 405.460 5.093 0 3 HKAF COc1cc(O)cc(O)c1C(=O)[C@H]1CC=C(CCC=C(C)C)C[C@H]1c1ccccc1 13410499 YYSABONYZSVCIV-VXKWHMMOSA-N 406.522 6.156 0 1 HKAF biogenic COc1ccc2c3c(c(=O)oc2c1)[C@H](C)[C@](C)(CC/C=C(\C)Cc1cc(C)co1)O3 13460821 GKKFSJKWTPVFGM-KFRXIPAMSA-N 408.494 5.927 0 1 HKAF CN1CC[C@@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3N(Cc3ccccc3)[C@@H]12 13765007 UUQLGETXWSEMFB-RSXGOPAZSA-N 413.521 5.237 0 1 HKAF CCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1 13827815 BSQMFLJOWJNZKQ-UHFFFAOYSA-N 406.530 5.249 0 1 HKAF Cc1ccc(-c2cc([C@H](O)[C@@H]3CCCCN3)c3cccc(C(F)(F)F)c3n2)cc1 27523450 BFDAWTHIDDYAEE-UGKGYDQZSA-N 400.444 5.405 0 1 HKAF FC(F)(CNc1cccc2oc(CCc3cccc(Cl)c3)nc12)c1ccccn1 28526269 HUUNBONLLMRNTE-UHFFFAOYSA-N 413.855 5.865 0 1 HKAF COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1-c1cccnc1 28566478 BAIDFOMIXSIXQE-UHFFFAOYSA-N 420.472 5.553 0 1 HKAF C[C@H](Nc1cc2c(-c3cc(Cl)cc(CCC(N)=O)c3)noc2cn1)c1ccccc1 40951123 KVJXBCZPOFTDAU-AWEZNQCLSA-N 420.900 5.134 0 1 HKAF CC(C)c1ccc(NC(=O)Nc2ccc(CCNCCCc3ccccc3)cc2)cc1 45230056 YXETVZRHDXDUPZ-UHFFFAOYSA-N 415.581 6.219 0 1 HKAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1nc2c(C)cccc2[nH]1 49723220 JKFZDIOUSVLQIK-AZUAARDMSA-N 410.308 5.854 0 1 HKAF COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2ccncc2o1)C(F)(F)F 64415702 FJNNUNSQTYMTMN-HXUWFJFHSA-N 411.395 5.179 0 1 HKAF CCN(CC)c1cc2[nH]c(C3CCCCC3)nc2cc1NC(=O)OCc1ccccc1 66100127 NUNSOXAWTMHTPS-UHFFFAOYSA-N 420.557 6.206 0 1 HKAF CCCN1CCc2c([nH]c3ccc(CC)cc23)[C@H]1c1cccc(OCc2ccccc2)c1 71281983 KRTXTGGEDMWKAK-GDLZYMKVSA-N 424.588 6.667 0 1 HKAF O=C(c1cc2ccccc2o1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 71316115 ZLLXQWDJTXRRDP-OAQYLSRUSA-N 400.865 6.078 0 1 HKAF COC(=O)C(C)(C)[C@@H](c1ccc(Nc2ccc3cc(O)ccc3c2)cc1)n1ccnc1 71329471 LEUDBINZIYAHLU-HSZRJFAPSA-N 415.493 5.274 0 1 HKAF c1ccc(CN2[C@@H]3CC[C@@H]2CC(OC2c4ccccc4CCc4ccccc42)C3)cc1 101213009 DZOFIEFQFCWGIY-JWQCQUIFSA-N 409.573 6.087 0 1 HKAF CC(=O)[C@]12CCCC[C@@H]1C[C@H]1[C@@H]3C[C@@H](C)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 118913993 YYJQALYDDZZWSF-SPBLUKNGSA-N 400.603 5.335 0 1 HKAF CCC(CC)NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 145580439 IUCUEUKHOPTJKY-JOCHJYFZSA-N 408.567 6.280 0 1 HKAF Cc1cc(Oc2c(-c3ccc(O)cc3)sc3cc(O)ccc23)ccc1/C=C/C(=O)O 221229472 STPCMUZOMJAGEU-VZUCSPMQSA-N 418.470 6.178 0 1 HKAF CC(C)[C@H]1CC[C@@H]2[C@]3(C)CC=C4C(=CC[C@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@@]21C 255259961 PTWDXFXWKUNEOH-NJQPKZCPSA-N 408.714 8.974 0 1 HKAF CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@H]1C(=O)CCC(=O)[C@@H]13 504533216 JPGGQHZUOUAFHK-ZQGRZRBZSA-N 412.570 5.060 0 1 HKAF biogenic CC(C)CCOc1cc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586883440 JRXJNFFWXZGIIF-LMGVVVSRSA-N 417.391 6.218 0 1 HKAF O=[S@@](Cc1nc2cc(Cl)nc(Cl)c2[nH]1)C(c1ccccc1)c1ccccc1 586959779 MDJWINLLGKEKDT-MHZLTWQESA-N 416.333 5.303 0 1 HKAF Cc1c(Cl)ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586984494 GESUQVQXVACMSH-GOSISDBHSA-N 404.739 5.472 0 1 HKAF C[C@H](c1cnc2ccc(O)c3c2c1-c1ccccc1C3=O)c1cn(C)c2ccccc12 586988031 VXAJMHXWROWOKT-OAHLLOKOSA-N 404.469 5.795 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(C(F)(F)F)nc4O)nc13)-c1ccccc1C2=O 586994711 CRWJXESTCHXIDW-UHFFFAOYSA-N 406.363 5.541 0 1 HKAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587040595 OPEGVUHEHMZOMJ-NSHDSACASA-N 407.845 5.218 0 1 HKAF Cc1onc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)c1COc1ccccc1Cl 587063573 PPELONQUYDSBTM-UHFFFAOYSA-N 408.767 5.173 0 1 HKAF FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c3c(ccc2[nH]1)CCCC3 587091753 OMVOBZLCIQZTEM-UHFFFAOYSA-N 415.337 5.464 0 1 HKAF COc1ccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(C(F)(F)F)c1 587095744 SXAAGQWKMZBSFN-UHFFFAOYSA-N 410.701 5.809 0 1 HKAF Cc1ccc2c3c(cc([C@@H]4CCN(Cc5ccccc5)C4)nc13)-c1ccccc1C2=O 587098496 VNOYFRNHXKMBGN-HXUWFJFHSA-N 404.513 5.744 0 1 HKAF Cc1ccc2c3c(cc(-c4nnn(-c5ccccc5)c4C)nc13)-c1ccccc1C2=O 587098956 XJKSMLVUOQNVGK-UHFFFAOYSA-N 402.457 5.311 0 1 HKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cccc(OCc3ccccc3)c2[nH]1 587114666 WZJPMWPUJJKBGJ-INIZCTEOSA-N 410.439 6.507 0 1 HKAF FC(F)Oc1ccc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)cc1 587130794 RKUYHTFSDWVORA-UHFFFAOYSA-N 407.136 5.613 0 1 HKAF O=C(c1c(F)cccc1I)c1coc2ccc(Cl)cc12 587279452 UVMCOKKNQPHVKH-UHFFFAOYSA-N 400.574 5.061 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C(Br)CC3)c1 587357338 HBGAIFCTHBRDBA-UHFFFAOYSA-N 406.279 6.339 0 1 HKAF COc1cccc(-c2cc(-c3c(O)cccc3Cl)nc3c2oc2ccccc23)c1 587359300 XMZWCTAXHDIZAB-UHFFFAOYSA-N 401.849 6.683 0 1 HKAF Cc1cc([C@@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)s1 587376238 PEOIIGYXYJAONP-ISKFKSNPSA-N 410.510 6.120 0 1 HKAF C[C@@]1(c2cccc3ccsc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587376915 YVBOKGZJUNNEBY-QPPBQGQZSA-N 404.462 6.020 0 1 HKAF CCCC[C@]1(c2ccc(Br)c(C)c2)CC(=O)c2cc(C)cc(N)c2O1 587377684 OXWSMQMLWSDBOA-OAQYLSRUSA-N 402.332 5.699 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(C)c(C)c4)nc4sccn14)[C@@H](C2)C3=O 587454199 VODSCNPQPHRDBJ-GAJHUEQPSA-N 416.502 5.177 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccccc3F)c(F)c1)CC2=O 587467999 VTRVAQRGBDJFMA-HSZRJFAPSA-N 410.416 6.122 0 1 HKAF Cc1cccc(Cl)c1OCc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587496337 CKCGKEIPKUWDKI-HSZRJFAPSA-N 422.908 6.406 0 1 HKAF COc1ccc2c(c1)OC(C(F)(F)F)=C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587509309 RQFQEPYUKXBTHF-JOCHJYFZSA-N 416.395 5.273 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(CN2CCCCC2)cs1 587613605 OCAAKWMFSODXID-ZJSXRUAMSA-N 421.518 5.143 0 1 HKAF CCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587697306 SMMUKQCRYBUGDP-WYRIXSBYSA-N 412.730 5.654 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3cccnc3)cc2)N1 587778429 NCIRJFLLZGZRCJ-ZSEKCTLFSA-N 413.290 5.399 0 1 HKAF CCOc1cc(CC[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587800318 FOCGHAWCPXPWNR-ASSNKEHSSA-N 422.338 5.075 0 1 HKAF CCC[C@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 587801501 GZXVSKCAHZQCIT-YEJXKQKISA-N 401.323 5.647 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccccc3)cc2)N1 587807947 FTMBGBKJKFBSCW-JLCFBVMHSA-N 412.302 6.004 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ccc(O)cc3)n2)N1 587850902 GEXVVZMAAVOKCE-MGNBDDOMSA-N 419.319 5.041 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccccc2[nH]c1=S 587860936 GGBGUIHDIMVHEA-UHFFFAOYSA-N 417.321 5.851 0 1 HKAF CCCn1c(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)nc2ccccc21 587863184 TUPSJLDKDZLWFO-UHFFFAOYSA-N 400.404 5.326 0 1 HKAF CCCOc1ccc(-c2cccc(-c3noc(Cc4c[nH]c5ccccc45)n3)c2)cc1 653708743 MOMNCAQJHZECEQ-UHFFFAOYSA-N 409.489 6.265 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(C)c1ccc(F)s1 961778734 QOEZQLBEDJAWSF-JOCHJYFZSA-N 402.535 5.302 0 1 HKAF CCC(C)(C)[C@]1(c2ccccc2C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962645946 TXZDWCGGTQSTRP-YZNIXAGQSA-N 424.632 6.422 0 1 HKAF COc1ccc([C@]2(c3ccc(C)cc3)NCCc3cc(-c4ccccc4)ccc32)cc1 962666162 LFDIDGXMTPVALB-LJAQVGFWSA-N 405.541 6.108 0 1 HKAF Fc1cc([C@]2(C3CCC3)c3ccsc3CCN2Cc2cccnc2)ccc1Cl 962995722 NRNREUQZLFSWJN-HSZRJFAPSA-N 412.961 6.038 0 1 HKAF CN1C(=O)C[C@@H]2CN[C@@](CCc3ccccc3)(c3ccccc3Cl)c3cccc1c32 963025354 JWYOBBKYGOVIKJ-BCHFMIIMSA-N 416.952 5.270 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cc(C(F)(F)F)ncc1Br 963235332 VWZNAUGQBFRYOW-SGTLLEGYSA-N 413.281 5.609 0 1 HKAF C[C@H]([C@@H](O)CCC1CC1)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1857536506 HNXXYUFJNVUPGA-CULREIDZSA-N 400.647 6.114 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4ccc(Cl)cc4c(C(=O)O)c3C)cc2)c(Cl)n1 1857642651 LDTPIWAEHASUCJ-UHFFFAOYSA-N 423.299 6.586 0 1 HKAF CC1CCN(CCCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 1857650809 IRFSPLZDOVLOJF-UHFFFAOYSA-N 420.544 6.820 0 1 HKAF Oc1cccc(-c2cc3c(O[C@@H](c4ccccc4)C(F)(F)F)ncnc3s2)c1 1857752556 ALTRFVUHNMQWQQ-KRWDZBQOSA-N 402.397 5.746 0 1 HKAF NC(=O)c1c(F)ccc(OCc2cc(-c3ccc(C4CCCCC4)cc3)no2)c1F 1857773802 ZDUFWQPWWLPKOF-UHFFFAOYSA-N 412.436 5.345 0 1 HKAF COc1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@H](CNCc4ccccc4)C=C3C)[nH]c2c1 2356310769 JZRJKMCHULJAKM-WPFOTENUSA-N 417.597 5.758 0 1 HKAF Cc1cc(O)cc(CC[C@](C)(O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)c1O 2356398963 IVKONZZPWXVIBM-UMTXDNHDSA-N 420.678 7.529 0 1 HKAF CC=C(C)[C@H](CC=C(C)C)c1c(OC)cc(O)c2c1O[C@H](c1ccccc1)CC2=O 2356466481 HQQKQQPDXDECON-UGKGYDQZSA-N 406.522 6.513 0 1 HKAF CC(C)CC=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356514989 UYJOTTBIRXBXME-XBTUKZESSA-N 412.658 7.345 0 1 HKAF CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)CC[C@]1(C)CC[C@@H](C)C(=O)[C@H]1C 2356696976 BXLHDWDVXHKFER-GTAYFMOCSA-N 406.950 5.783 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCC(C)C)C1 2356746348 PZCACFCRRKXFLZ-AJKJBRKTSA-N 416.690 7.649 0 1 HKAF OC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccccc2)CC1 40505798 CDZBEJLJZGBKFJ-UHFFFAOYSA-N 401.550 5.104 0 3 HKAF CC(C)c1nc2ccc(F)cc2c(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1 3797411 XDKQXVMPRDYWHY-TYFAACHXSA-N 423.459 5.383 0 1 HKAF O=C(CCc1ccccc1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc(Cl)cc1 8600104 FYLLRPLEHBUBPA-SANMLTNESA-N 414.936 5.928 0 1 HKAF aggregator Fc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1 13862273 YFVSLEQKBSXQGQ-UHFFFAOYSA-N 403.541 6.234 0 1 HKAF CC1(C)[C@H]2C[C@H](C/C=C/CCCC(=O)O)[C@@H](NC(=O)c3c[nH]c4ccccc34)[C@@H]1C2 26501720 KMBQPJFTHZONMP-XFVZBYQBSA-N 408.542 5.150 0 1 HKAF CCCCC/C=C/C(=O)O[C@H]1C[C@H]2[C@H](CCC[C@H]2CCCC[C@@H](O)CCC)N[C@@H]1C 26835017 QNAATLGQMSSVEO-GHLJEMOASA-N 421.666 5.923 0 1 HKAF CC1(C)OC(=O)N(c2ccccc2)c2ccc(Nc3ccc(Br)cc3)cc21 28878584 ZHOPKGLQQWWTNM-UHFFFAOYSA-N 423.310 6.716 0 1 HKAF CCCCc1ccc(/N=c2\scc(CC(=O)Nc3ccc(Cl)cc3)n2C)cc1 29124717 PLNFWTRWGYDJAP-LVWGJNHUSA-N 413.974 5.496 0 1 HKAF O=C(O)c1cccc2c(=O)cc(-c3cccc(OCc4ccc5ccccc5n4)c3)oc12 29224608 KHHUBZJYSQUQNW-UHFFFAOYSA-N 423.424 5.285 0 1 HKAF Cn1cccc1CCNCc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)cc1 45195624 IBMHCFAIPZCQAD-UHFFFAOYSA-N 406.533 5.568 0 1 HKAF O=c1c(Cc2ccc(C(F)(F)F)cc2)coc2cccc(OCC3CCCCC3)c12 49807567 USCKQCPKFZUGNK-UHFFFAOYSA-N 416.439 6.362 0 1 HKAF Fc1cccc(Sc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)c1 71317157 RMQXHMBISJYIQI-UHFFFAOYSA-N 408.606 7.558 0 1 HKAF CCC(CC)(CNC(=O)C1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 72113314 BHOCVYRYHHYQPF-UHFFFAOYSA-N 424.604 5.345 0 1 HKAF O[C@@H](c1ccc(Cl)cc1)c1nnc(Nc2cc(C(F)(F)F)ccc2F)s1 82078042 ZOFZODKUASQIPT-ZDUSSCGKSA-N 403.788 5.175 0 1 HKAF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NCc2ccccc2)nc1-c1ccccc1 82132778 DQBQUQXWKCOFND-XMSQKQJNSA-N 400.526 5.064 0 1 HKAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](N(C)C(=O)C=C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 84741132 DVMUKIWOCNJTAW-CEKJLZKOSA-N 413.646 6.028 0 1 HKAF Oc1ccc(-c2cc(-c3ccc(O)cc3F)c(-c3ccc(O)cc3F)s2)c(F)c1 95586760 GXTFWRGMYKPXSN-UHFFFAOYSA-N 414.404 6.283 0 1 HKAF COc1ccc2ncn(C3=CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)c2c1 96927795 BSZDJCMBBLBGPK-QJIZAGKASA-N 418.581 5.819 0 1 HKAF CC[C@@H](C)Sc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(N(C)C)cc1 100703645 GWBSOVYGQUSTAW-FZKQIMNGSA-N 424.570 5.353 0 1 HKAF C[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)CCCCCCCCCCC(=O)O1 103215437 RNNGPENRYVCNLD-IRLDBZIGSA-N 423.619 5.101 0 1 HKAF COc1ccc(-c2nc(SC)sc2-c2ccc(Cl)cc2)c(OC)c1OC 103248689 NVBYXNKOJNPMAF-UHFFFAOYSA-N 407.944 5.878 0 1 HKAF COc1ccccc1C(=O)Nc1cc(NC(=O)c2ccccc2C(C)C)ccc1F 169303768 MJIIDESAXYMCEX-UHFFFAOYSA-N 406.457 5.462 0 1 HKAF CCC[P@@](=O)(Cc1ccc(Nc2cc(-c3cccc(N)c3)ncn2)cc1)OCC 169346791 OQHQQBQSQYDIMD-LJAQVGFWSA-N 410.458 5.694 0 1 HKAF Cc1cccc([C@@H]2CC(c3ccc(Cl)c(Cl)c3)=NN2c2nc(O)cs2)c1 169728180 QLICBVBIPNXKQF-KRWDZBQOSA-N 404.322 5.820 0 1 HKAF C/C(=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@@H](C)C(C)C 206198689 SXOOOXJHQQTJJY-WPKDOFOJSA-N 412.702 7.801 0 1 HKAF CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 255224131 KUVJXIWTCCCGQO-SWSFOQQMSA-N 400.691 7.491 0 1 HKAF COc1ccc2c(c1)ncn2S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C 299863333 KYVXEBABMKFBBK-UHFFFAOYSA-N 414.571 5.652 0 1 HKAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 586887870 JKUFREXPGQAFCP-QLJPJBMISA-N 413.237 5.490 0 1 HKAF c1ccc(C(SCCc2nc3cccnc3[nH]2)(c2ccccc2)c2ccccc2)cc1 586970186 HTVONNCJFFKNAD-UHFFFAOYSA-N 421.569 6.226 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccccc1[C@@H]3c1ccccc1 586990590 LWTNKHZBGMARRB-QHCPKHFHSA-N 411.460 6.312 0 1 HKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587070308 RYMVGFBNYSFQRI-SSDOTTSWSA-N 403.191 5.007 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(OC)cc4[nH]3)c(Cl)cc12 587077953 CYILYORCKDLNJT-GFCCVEGCSA-N 412.873 5.424 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ncc(C(F)(F)F)cc3Cl)nc3cccc1c23 587102663 CSHWARWXKPSYLC-UHFFFAOYSA-N 410.782 6.180 0 1 HKAF Cc1cc(Cl)ccc1NC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103555 JHUWIMONFGJNRJ-UHFFFAOYSA-N 412.876 5.589 0 1 HKAF FC(F)(F)c1nc2ccc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)cc2[nH]1 587120410 HXMGHZWIMGKBLW-UHFFFAOYSA-N 404.701 5.797 0 1 HKAF Cc1c(Br)cnc2[nH]c(-c3ccccc3C(=O)c3ccc(F)cc3)nc12 587163720 RUQKRUWPUVSKTJ-UHFFFAOYSA-N 410.246 5.066 0 1 HKAF CC(C)CCOc1cc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2cc1Br 587176794 RRERGXUFYIDBNJ-UHFFFAOYSA-N 417.282 5.433 0 1 HKAF CCCCCOc1cc2[nH]c(-c3cccnc3N(C)C)nc2cc1Br 587195202 DOIKZBJMGMIMLT-UHFFFAOYSA-N 403.324 5.022 0 1 HKAF O=C(O)c1c(-c2cc3c4c(cccc4n2)CC3)cnc2ccc(Br)cc12 587208619 WFMSMDJJFDRLNK-UHFFFAOYSA-N 405.251 5.009 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-c3ccc(Br)cc3)cc1)O2 587374380 XLZCGXJKDPHVGU-HSZRJFAPSA-N 422.322 5.887 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1Oc1ccc(Cl)cc1Cl)O2 587377276 VTHYSQULQMGZSY-OAQYLSRUSA-N 414.288 6.383 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1c(C)nc3ccc(C)cc3c1Cl)O2 587379250 GTEMIZCAYHARMK-DEOSSOPVSA-N 408.929 5.752 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-c3ccc(C(F)(F)F)cc3)s1)O2 587383732 VJXMWGOHSYAUCP-OAQYLSRUSA-N 417.452 6.205 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cccc(Br)c1)[C@@H](C2)C3=O 587417500 LHTQXPQSHDIRNE-WMZHIEFXSA-N 421.290 5.149 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc([C@@H](C)CC)cc1)CC2=O 587468425 GCLNNUPYHXSJDS-LMKMVOKYSA-N 409.526 5.611 0 1 HKAF O=C1C[C@@](c2cc(Br)ccc2F)(C2CC2)Oc2c1ccc1c2CCCC1 587503543 HKJCLDWBJMBDQF-QFIPXVFZSA-N 415.302 5.738 0 1 HKAF CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Br 587505632 VDNJJVVYWBZPLX-IBGZPJMESA-N 401.300 5.433 0 1 HKAF O=C1C[C@@](Cc2ccccc2Cl)(c2ccccc2)Oc2c1ccc1c2CCCC1 587506542 NHUVKWHIOWAUDY-SANMLTNESA-N 402.921 6.322 0 1 HKAF O=C1C[C@@H](c2ccc(N3CCCC3)cc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587509397 RYXDEHKCKJXZFA-QFIPXVFZSA-N 415.455 5.891 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc(C(F)(F)F)c1 587546236 IOYBZWJCBFAMIJ-PXNSSMCTSA-N 420.770 5.767 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1ccc(Cl)cc1)CC2 587553747 VPTFMPBEMIOSDJ-OAQYLSRUSA-N 421.880 5.046 0 1 HKAF CCc1ccc([C@]2(c3cccnc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587585648 GGYSDWJMOXBWSS-SHQCIBLASA-N 423.468 5.255 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1CN1CCCCC1 587590888 CZQXABMNSSVKAQ-BVAGGSTKSA-N 415.489 5.081 0 1 HKAF C[C@]1(c2cccc(-c3cccc(O)c3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607056 HALXHERNPRFVCS-RPLLCQBOSA-N 424.452 5.642 0 1 HKAF COc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(F)(F)C(F)(F)F)cc1 587624882 VSHYOUABLWGGBD-UHFFFAOYSA-N 417.761 6.186 0 1 HKAF Cc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587711981 YXWUBYPFZKKZJE-BTDLBPIBSA-N 420.219 5.376 0 1 HKAF COc1ccc(Cl)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F 587718551 NIRYNBNKQDAOIY-RBHXEPJQSA-N 402.666 5.013 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(F)cc2F)N1 587723524 AULDSXBDQZYEPS-PRWKNARSSA-N 421.260 5.281 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC=C(NNc3ccccc3)C2)N1 587750142 RRLHXABUFPMFNW-LHSJRXKWSA-N 416.338 5.002 0 1 HKAF CCCCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587790011 DQRZQKXIIPWVHP-ASSNKEHSSA-N 422.338 5.399 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C=C(c2ccccc2)c2ccccc2)N1 587822021 ZHEHCSBRAOFCAC-KSFYIVLOSA-N 422.341 6.295 0 1 HKAF Cc1ccc(-c2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)o1 587828459 NKGKSZDQMCCHLC-GTJPDFRWSA-N 400.291 5.780 0 1 HKAF Cc1cc(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(C(C)C)cc1Cl 587873255 WSZUCYLKQHVARO-UHFFFAOYSA-N 400.837 5.599 0 1 HKAF CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(C3CCCCC3)c2O)n1 587946073 RXMNNXJJSJDUHP-UHFFFAOYSA-N 415.490 5.157 0 1 HKAF CC[N+](CC)=c1sc2c(s1)[C@@H](c1ccc(Cl)cc1)Oc1ccc(F)cc1-2 653893476 WAXOFMCUSZAYRQ-QGZVFWFLSA-N 406.955 5.563 0 1 HKAF COc1cccc(CC[C@]2(c3ccc(C)c(C)c3)NCCc3ccc(F)c(C)c32)c1 962378833 UTNWFZDBORVPBE-HHHXNRCGSA-N 403.541 5.782 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(Cl)cc2)(c2ccc(C)nc2)N1 962946760 JDBMVWCATRLMAS-CJFMBICVSA-N 401.941 5.741 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCc2cc(C)cc(C)c2)(c2ccccc2C)N1 962951576 UEQVULTWRKSFIP-AYWVHJORSA-N 422.616 6.894 0 1 HKAF C[C@@]1(c2ccc3ncc(Br)cc3c2)c2c(F)cccc2C[C@@H]2CCCN21 963091740 AAIVDPITXQWOSW-PGRDOPGGSA-N 411.318 5.420 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)CC(=O)Nc1ccc(Br)cc1 963239073 JBJZOTBMJLRXCM-OPAMFIHVSA-N 415.375 5.350 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccc(C)cn1)c1ccccc1C(F)(F)F 963241923 OWOGMHIKIPNWJA-CLOONOSVSA-N 424.510 6.357 0 1 HKAF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(C)C(C)(C)C)nc(Cl)nc21 963928150 JHHIIQGWGJMHBO-QFIPXVFZSA-N 413.953 5.090 0 1 HKAF c1ccc2c(c1)[nH]c1c(-c3ccc(-c4nccc5c4[nH]c4ccccc45)cc3)nccc12 1772618397 BCSROMAGFHENJN-UHFFFAOYSA-N 410.480 7.080 0 1 HKAF C=Cc1c(OC)cc(/C=C/c2ccc(C(=O)NCCc3ccccc3)cc2)cc1OC 1857564995 ZQWAJLKNLUBHIQ-ZHACJKMWSA-N 413.517 5.490 0 1 HKAF CC1(C)C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)N1c1cccc(C(F)(F)F)c1 1857585028 BDAVKCQCSWFGLV-UHFFFAOYSA-N 416.321 5.476 0 1 HKAF CCOP(=O)(OCC)[C@@H](Nc1cccc(C)c1)c1cc2ccccc2nc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c1nc(-c2ccc(F)cc2)c(-c2ccnc(NCCc3ccccc3)c2)[nH]1 3820038 UETJFNLFLVHJIO-UHFFFAOYSA-N 404.514 5.654 0 1 HKAF CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)cc(-c3ccc(F)cc3)oc2=O)cc1 13581291 HAQQYFIHRGNQLJ-UHFFFAOYSA-N 420.461 5.183 0 1 HKAF Fc1ccc(C(c2ccc(F)cc2)C2CCN(CCCCc3ccccc3)CC2)cc1 13824986 HHPMFVTUNXSUNF-UHFFFAOYSA-N 419.559 6.832 0 1 HKAF COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@@H]23)cc1OCC1CC1 26572218 BQXOJMGGMXNMBL-FGZHOGPDSA-N 422.569 5.336 0 1 HKAF CC1(C)CCC(C)(C)c2c(F)cc(C(=O)c3ccc4cc(C(=O)O)ccc4c3)cc21 26731825 BPDHQGRHEXJWEN-UHFFFAOYSA-N 404.481 6.257 0 1 HKAF C[C@H](C(=O)OCCCc1ccccc1)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27556798 CTGIXAGBIQLQDR-BWAGFHJFSA-N 422.590 6.061 0 1 HKAF CCc1ncnc(N[C@@H](CC)c2ccc(Oc3ncnc4ccccc34)cc2)c1Cl 28887545 AABSPFOYFLJQCG-SFHVURJKSA-N 419.916 5.991 0 1 HKAF Cc1ccc(Cl)c2oc(-c3ccc(-c4ccc5cc(C(=O)O)ccc5c4)[nH]3)cc12 29465306 UQDHADIRBWRYMN-UHFFFAOYSA-N 401.849 6.908 0 1 HKAF Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCN(CCCc1ccccc1)C2 29565933 UMHNMWWFIDTLMU-UHFFFAOYSA-N 410.970 5.206 0 1 HKAF Cn1c(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2cccs2)nc2ccccc2c1=O 40865422 UKVIVIIAPCXOOH-IBGZPJMESA-N 420.925 5.004 0 1 HKAF COc1ccc(-c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1CN1CCCC1 45202851 ZNOXTYICMGFDGB-UHFFFAOYSA-N 420.940 5.864 0 1 HKAF CC(C)CCC[C@H](C)CCC[C@@H](C)CCNCCNC1C2CC3CC(C2)CC1C3 49054077 OMMRNNMMBCQXFB-MMSCWDOGSA-N 404.727 6.649 0 1 HKAF CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](C)[C@@H]12 62153999 PBBCMNZIPIUBND-SQBQCHDUSA-N 402.663 6.215 0 1 HKAF COc1ccc(Nc2nc(Nc3cc(C)ccc3C)cc(N3CCCCC3)n2)cc1 73166816 UKYLUXXNDWLQQH-UHFFFAOYSA-N 403.530 5.580 0 1 HKAF Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(=O)OCCC4CCCCC4)C3)co2)cc1 82069623 PFBPRXBKSBVZIL-OAQYLSRUSA-N 424.541 5.016 0 1 HKAF CC[C@H](C)Nc1ncc(C(=O)NCC2CC2)c(-c2ccc(-c3ccccc3)cc2)n1 82159284 OXSGEYAZKDIEJJ-KRWDZBQOSA-N 400.526 5.161 0 1 HKAF Cc1ccccc1-c1nc(NCc2ccccc2F)ncc1-c1nc(C)c(C)s1 82177623 LBJNEOZQLRFLFM-UHFFFAOYSA-N 404.514 5.944 0 1 HKAF CCCCCn1c(-c2ccc(C)o2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82185066 BHHZMGWXJLKNGK-UHFFFAOYSA-N 409.921 5.850 0 1 HKAF O=C(Nc1ccc(-c2nccc3c2[nH]c2ccccc23)cc1)c1ccc2ccccc2c1 84655099 IOSJFWZACIZTPR-UHFFFAOYSA-N 413.480 6.789 0 1 HKAF Cc1cc(-c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n(-c2ccccc2)n1 98082314 NCVGIHFDPULECY-UHFFFAOYSA-N 410.908 6.354 0 1 HKAF Nc1nccn2c1c(-c1ccc(Oc3ccccc3)cc1)nc2[C@H]1CC[C@H](CO)CC1 100618993 DOVYFRQPSXRSDP-IZAXUBKRSA-N 414.509 5.037 0 1 HKAF COc1cc(-c2ccc3ncnc(Nc4cc(O)c(Cl)cc4F)c3c2)ccc1O 143094086 DYRMWMUNPOELJX-UHFFFAOYSA-N 411.820 5.253 0 1 HKAF COc1cc(-c2ccc3ncnc(Nc4cccc(OC(F)F)c4)c3c2)ccc1O 143213397 HPMBPVUWGMRNIX-UHFFFAOYSA-N 409.392 5.356 0 1 HKAF Cc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@@H]32)cc1 169291709 OHYAUCCFBSIOPM-HPUNYJORSA-N 417.577 7.725 0 1 HKAF O[C@@H](c1cc(-c2ccc(Cl)cc2)cc2c(Cl)cc(Cl)cc12)[C@H]1CCCCN1 169332350 RALABFFVMWGRQU-YADHBBJMSA-N 420.767 6.643 0 1 HKAF CC(=O)O[C@H]1/C=C(\C)CC[C@@H]2OC(=N)S[C@@]2(C)CC[C@@H](C(C)C)/C=C\[C@@](C)(O)C1 169364097 DETHKBIMUIMKST-LVNZIMCBSA-N 423.619 5.233 0 1 HKAF Oc1csc(N2N=C(c3ccc(Cl)c(Cl)c3)C[C@@H]2c2cccc(Cl)c2)n1 169728182 IWCVGAAVTAFYJA-MRXNPFEDSA-N 424.740 6.165 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@@H]1c1cccc(-c2ccccc2)c1 169728367 ZSAXOEADISZRSG-DNQXCXABSA-N 401.506 5.344 0 1 HKAF O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1 198390862 FCDDSRNKKNDFIA-JTHBVZDNSA-N 402.444 5.254 0 1 HKAF O=C(c1c[nH]c2ccccc12)[C@@H](Nc1cccc(OC(F)(F)F)c1)c1ccccc1 205169000 BPOZPSSEJOZXNU-NRFANRHFSA-N 410.395 6.103 0 1 HKAF Cc1ccc(OCC(=O)O)c(C)c1NCc1cc(-c2cccc(F)c2)cc(F)c1C 219106166 FRNXMPGECMYQSP-UHFFFAOYSA-N 411.448 5.633 0 1 HKAF CN(C)c1ccc(-c2n[nH]c3c2Cc2cc(CN[C@H]4CC[C@H](C)CC4)ccc2-3)cc1 253674019 DLJXSKFNKGLWBI-CYWCHRQTSA-N 400.570 5.382 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@]3(O)C=C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 255260296 PZFKMXUOAPXMRJ-MEKQHADNSA-N 418.662 5.474 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3=CC[C@@]21C)C(C)C 255287512 ZOZMTYFCEAAVIH-VQTRQHNQSA-N 412.702 7.945 0 1 HKAF CCC[C@H](C)CCC[C@H](C)C(=O)C[C@@H](O)[C@H](C)C/C=C/C1=C(C)CCCC1(C)C 257457981 JSSNFOHEHRIBDT-VOSBVYDQSA-N 404.679 7.658 0 1 HKAF endogenous,in-man CCCCOc1cc2nc([C@@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2cc1Br 586889283 MCZQQYWWYOTHNQ-XOBRGWDASA-N 417.347 5.650 0 1 HKAF CC(C)COc1cc2nc(C3(c4ccccc4O)CC3)[nH]c2cc1Br 586896656 HFYANHCZOLWOLA-UHFFFAOYSA-N 401.304 5.146 0 1 HKAF CC[C@H]1OCCC[C@@H]1c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 586907499 AVLYCUOPRAJFRJ-MAUKXSAKSA-N 417.431 5.507 0 1 HKAF C[C@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1ccccc1C(F)(F)F 586985962 IJNRFIHVPHEHSD-ZDUSSCGKSA-N 419.402 6.322 0 1 HKAF Cc1c(-c2cccc(C(F)(F)F)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586994032 UWWMARJANNNBGP-UHFFFAOYSA-N 403.403 6.749 0 1 HKAF Cc1onc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)c1COc1ccc(Cl)cc1 587075408 HVCJLBPUTOWBRQ-UHFFFAOYSA-N 409.660 5.461 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC[C@](C(=O)O)(c1ccccc1)C4)-c1ccccc1C2=O 587100936 IZJOQWBUGLJPCN-MUUNZHRXSA-N 419.480 5.266 0 1 HKAF COc1cc(Cl)cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1OC 587104561 UDZGMTTVESUDHM-UHFFFAOYSA-N 401.849 5.784 0 1 HKAF FC(F)(F)c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 587117709 VIDABGSXCWCHEH-UHFFFAOYSA-N 422.760 5.571 0 1 HKAF Cc1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 587152676 CJVLVYBIZUIVAG-UHFFFAOYSA-N 415.497 5.550 0 1 HKAF Cc1ccc([C@@H](C(=O)O)c2c(-c3ccc(Cl)cc3)nc3cccc4c3c2CC4)cc1 587209331 NRIJUWXNOJGJTI-HSZRJFAPSA-N 413.904 6.179 0 1 HKAF CNc1cccc(-c2cccc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c2)c1 587233004 HIBCCLFYENOXPL-UHFFFAOYSA-N 407.542 7.090 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3cc(Cl)ccc32)[C@@H]1c1ccc(F)cc1 587335381 WLUVRUAPYRPMLN-ISKFKSNPSA-N 408.856 5.775 0 1 HKAF O=C1c2ccc(O)cc2OC2(CC(COCc3ccccc3)C2)[C@H]1c1ccc(F)cc1 587353546 QZEGYGBWWRPEKG-OUXPZVHUSA-N 418.464 5.256 0 1 HKAF COc1cccc(-c2cc(-c3cc(F)c(Cl)cc3O)nc3c2oc2ccccc23)c1 587359342 FQWDTTKRVRHSON-UHFFFAOYSA-N 419.839 6.822 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccccc1-c1cccc(Br)n1)[C@@H](C2)C3=O 587417007 ICXJZRPUVBSDIU-KSFYIVLOSA-N 422.278 5.008 0 1 HKAF O=C1C[C@H](c2cccn2-c2ccccc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587508757 QQCBFAPEZDHJIK-JOCHJYFZSA-N 411.423 6.081 0 1 HKAF Cc1ccc(-n2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C(C)(C)C)n2)cc1 587514597 HJGOFWFLWBTTRC-XMMPIXPASA-N 414.549 6.064 0 1 HKAF CCOC(=O)C[C@]1(c2ccc3c(c2)CCCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587523628 LKYCYEOTDUTRRG-MHZLTWQESA-N 418.533 5.258 0 1 HKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Br 587537706 AQODXWYTVGRFDR-WIYYLYMNSA-N 411.251 5.166 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1CCC(F)(F)F 587545136 GKKVJKXNRRPUNZ-SIKLNZKXSA-N 414.379 5.590 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(Cl)c1F)C1CC1 587570331 VJLHNDMNUDXLPB-AUSIDOKSSA-N 410.828 5.452 0 1 HKAF Cn1c2c(c3ccccc31)[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576509 JGHGVWQMBUQUCG-BVAGGSTKSA-N 411.457 5.077 0 1 HKAF CCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC 587599588 XZLUBTBVVAIJDE-RDGATRHJSA-N 420.461 5.067 0 1 HKAF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 587622124 YDGFRWRTTQWESV-UHFFFAOYSA-N 422.204 5.365 0 1 HKAF COc1ccc(NC(=O)c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 587626533 SZQYCBRLQMRHFY-UHFFFAOYSA-N 416.321 5.775 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccccc3C(F)(F)F)c2c1 587639896 FHDOIZQGCSKNLO-LLVKDONJSA-N 413.361 6.950 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(Cl)cc2)N1 587701612 VICZHRIAWCMPPR-FKIZINRSSA-N 419.725 5.656 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ncc3ccccc23)N1 587703340 GTUQTRGTTXNIMH-XTZNXHDOSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCSc3c(F)ccc(F)c32)N1 587737913 IEKIZPPYPOMNFN-YYSFKGJASA-N 414.290 5.140 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC1CC1 587804196 CUSQJKIJHZAFFO-LRTDBIEQSA-N 404.323 5.309 0 1 HKAF CC(C)CCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812838 LFWPMSTZFASIJZ-AOMKIAJQSA-N 404.367 6.192 0 1 HKAF CCCC[C@]1(CCCCC(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 587829141 QURDPVTZTBPCJW-BFUOFWGJSA-N 400.332 5.153 0 1 HKAF CSc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 587845132 NAJUOTAPTGJRAY-XTZNXHDOSA-N 414.771 5.761 0 1 HKAF Cc1oc(-c2cccs2)nc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587851767 JJADWHADZVMQEH-VVVCHXIZSA-N 407.308 5.237 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCSc3c(Cl)cccc32)N1 587857886 NHUWWKAXLNCJLL-XTZNXHDOSA-N 412.755 5.515 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3sc(C=O)cc3s2)N1 587858184 PDWUPZXUAVFLSY-CQLKUDPESA-N 410.333 5.301 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 587869829 SQKUPOGZJKEOBX-OAHLLOKOSA-N 416.880 5.466 0 1 HKAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 587938117 SNEVTWPSVUYQQQ-AREMUKBSSA-N 422.553 6.903 0 1 HKAF CC(C)Oc1cc(-n2c(O)cc(-c3ccc(C(C)C)cc3)c2O)c(Cl)cc1Cl 587942836 BUYFFTCOAPQBGZ-UHFFFAOYSA-N 420.336 6.773 0 1 HKAF CCOC(=O)c1cc(Br)c2nc(-c3ccc(OC4CCC4)cc3)[nH]c2c1 587951787 QZUSLGRODSONAL-UHFFFAOYSA-N 415.287 5.100 0 1 HKAF CCC[C@H](c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)C(C)C 587955596 QWOUCERNTBIJIB-INIZCTEOSA-N 403.448 6.374 0 1 HKAF Cc1c(F)ccc2c1[C@@H](c1c(C3CCCC3)[nH]c3ccc(C(C)(C)C)cc13)NCC2 962086720 AFEJLLWPASYXJT-SANMLTNESA-N 404.573 6.806 0 1 HKAF CCCC[C@@]1(CCCCCCC(=O)O)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962732259 YRSZLULZDMGNRX-RXVVDRJESA-N 413.480 5.143 0 1 HKAF CC(C)(C)c1ccc([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cn1 962964817 ZTQQNBPOXXETJE-FQEVSTJZSA-N 404.476 5.139 0 1 HKAF Fc1cc([C@@H]2c3ccsc3CCN2Cc2cccnc2)cc(F)c1Br 962993234 AFTDWSYAZCGVTQ-LJQANCHMSA-N 421.310 5.332 0 1 HKAF CCN(CC)c1ccc2cc([C@]3(C)c4ccc(F)cc4C[C@H]4CCCN43)c(=O)oc2c1 963111797 RJIADAUTBRUFIP-RLWLMLJZSA-N 420.528 5.062 0 1 HKAF Cc1ccc(C[C@]2(C3CC3)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1 963833135 SGKOXWOMWBIXKS-GDLZYMKVSA-N 422.572 6.049 0 1 HKAF O=C(Oc1ccc(Br)cc1)c1c(-c2ccccc2)sc2c1CCCC2 1772628461 KXOVEMKWWMKORW-UHFFFAOYSA-N 413.336 6.276 0 1 HKAF Cc1cc(NC(=O)c2ccccc2)c2oc(COC(=O)NCc3ccccc3)cc2c1 1857596703 ZNWIGGKNGPTMLL-UHFFFAOYSA-N 414.461 5.420 0 1 HKAF CCO[C@H](C)n1cc(-c2cnc(N)c(O[C@H](C)c3cc(F)ccc3Cl)c2)cn1 1911576052 GJJHXRIDXNYJST-CHWSQXEVSA-N 404.873 5.015 0 1 HKAF CC(=O)N[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356495902 JRMQHVWVFCDIOA-ILKYCFRXSA-N 403.607 5.102 0 1 HKAF CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H]4CC=C5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]3(C)[C@@H]12 2356567337 PZTLWJIROQBMKK-MTULQVRQSA-N 424.713 7.945 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356573136 APYVEUGLZHAHDJ-NXYNWFJESA-N 404.679 6.439 0 1 HKAF CC(=CC[C@H](C)C(C)C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@@]4(C)C3=CC[C@]12C 2356603398 BJJMHFSVVTWJFH-YLGOVBDESA-N 414.674 6.526 0 1 HKAF C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@H]1OC1CCCC1 2356603621 HGHCDDIPMDTEIA-YNQAQSASSA-N 414.630 5.856 0 1 HKAF C=CC(=CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356628447 UEWMGQVBSUKDSE-PHAOXHQDSA-N 410.686 7.721 0 1 HKAF Cc1ccc2c(c1C)C1=CC[C@@H]3[C@]4(C)CC[C@H](O)[C@](C)(CO)[C@@H]4CC[C@]3(C)[C@]1(C)CC2 2356668352 NOMDWAAODUIOPI-ZWVGJQGMSA-N 422.653 6.235 0 1 HKAF CC(C)CC(C)(C)C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356791558 IRUMHQHMEQWWER-MSZUPSMGSA-N 414.718 8.025 0 1 HKAF CC(=CCCC(=CC(=O)O)C(=O)O)CCC=C(C)CC[C@@H]1[C@H](C)C(=O)CCC1(C)C 2356792970 KDHQVPXRPYDYFP-PZJWPPBQSA-N 418.574 5.957 0 1 HKAF C=C1CC[C@H](Br)C(C)(C)[C@H]1Cc1cc(O)c(Br)cc1O 1612857 OVQUXMIHRFSOJM-NHYWBVRUSA-N 404.142 5.159 0 1 HKAF biogenic O[C@H]1CN(Cc2ccc(F)cc2)CC[C@@H]1CCOC(c1ccccc1)c1ccccc1 3990793 SEGLRXUOVKIQDG-GJZUVCINSA-N 419.540 5.205 0 1 HKAF CCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)ccc12 13553462 GEVSQUIJCIWUSL-UHFFFAOYSA-N 401.381 7.452 0 1 HKAF CCCCCCCCCCCCCCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O 28538129 IPAZGTSTZYXZAT-HSZRJFAPSA-N 419.606 5.985 0 1 HKAF biogenic CCOc1c(OCC)c(OC(=O)C(C)C)c2cc(Cl)ccc2c1OC(=O)C(C)C 29317102 DZOVHZPBBVFQDI-UHFFFAOYSA-N 422.905 5.413 0 1 HKAF CC[C@H](C)c1cc(N)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2n1 36351887 BLQVRMCVQJLLPJ-MUAYPFOZSA-N 413.443 6.001 0 1 HKAF COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1coc2ccccc12 49111314 ZJBBWLNWMSXEGT-WXTAPIANSA-N 403.522 6.149 0 1 HKAF CCN(C)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccc(-c2ccccc2)cc1 82154294 LFUBZCJCFBGGOV-UHFFFAOYSA-N 414.553 5.139 0 1 HKAF CCCCNc1ncc(C(=O)N2CCCC2)c(-c2ccc(-c3ccccc3)cc2)n1 82159180 VJWPCGHVCLBEDB-UHFFFAOYSA-N 400.526 5.259 0 1 HKAF Cc1cc(C2=NN(C(=O)Nc3ccccc3)C[C@H]2Cc2ccccc2)ccc1Cl 95579413 ZTCBBXBKENLBTH-HXUWFJFHSA-N 403.913 5.759 0 1 HKAF C[C@@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H](C/C=C3/C[C@@H](O)CCC3(C)C)CCC[C@@]21C 100059666 ZGGYLFXNQDDBEC-MFQISCSBSA-N 418.706 7.284 0 1 HKAF in-vitro O=C(CCc1ccc2c(c1)c(CCc1ccccc1)cn2-c1ccccc1)C(F)(F)F 140204893 XLHIKBZKAFPGNY-UHFFFAOYSA-N 421.462 6.480 0 1 HKAF COc1ccc2ccccc2c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2ncccn2)c1 167744323 DBZMXMUFUSPJQM-QHCPKHFHSA-N 423.516 5.559 0 1 HKAF CCO[P@](=O)(CC)Cc1ccc(Nc2cc(-c3ccccc3OC)ncn2)cc1 169346782 HQXFWJDXROHJFM-GDLZYMKVSA-N 411.442 5.730 0 1 HKAF CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)C4=CC[C@@]3(C)[C@@H]12 255274055 VTRXZBXHHPHXRX-GKWOISIJSA-N 424.713 8.233 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CCC(=O)C[C@@H]1C[C@H]3O 261496199 HHVQPBXBALLUDF-SGSHRLSTSA-N 418.662 5.618 0 1 HKAF endogenous,in-man COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2NCCCc1ccccc1 299872448 WAVOKPPRKZTUNS-DFLSAPQXSA-N 403.610 6.142 0 1 HKAF aggregator CCCC[C@H]1CC[C@H](c2ccc(-c3nc4nc(Br)c[nH]c-4n3)cc2)CC1 586879969 JSOVZGVJYLNLLN-SHTZXODSSA-N 413.363 6.198 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(C)c(Br)ccc3[nH]2)cc1 586880234 VVFIEWXUNORMHM-UHFFFAOYSA-N 421.294 5.974 0 1 HKAF CCOC(=O)C(F)(F)[C@H]1CCCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 586994001 UAPPSQOEYSTMCI-KRWDZBQOSA-N 421.443 5.373 0 1 HKAF Cc1ccc2c3c(c(Cc4cccc(C(F)(F)F)c4)cnc13)-c1ccccc1C2=O 586994305 XRZKGJSIAGXFCE-UHFFFAOYSA-N 403.403 6.364 0 1 HKAF Cc1cnc2[nH]c(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)nc2c1 587013702 XGXMUWAIZNHXOR-UHFFFAOYSA-N 416.937 6.301 0 1 HKAF CCOC(=O)Cc1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1 587094543 BHIOPOZNLYJHBA-UHFFFAOYSA-N 416.321 5.373 0 1 HKAF CCOC(=O)c1c(C)[nH]c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1C 587096096 GNYWEIXLECLPFM-UHFFFAOYSA-N 410.473 5.543 0 1 HKAF CC(C)(C)Sc1ccc(F)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104085 RQWCKDPPYVUUEM-UHFFFAOYSA-N 413.517 7.143 0 1 HKAF Fc1ccc(F)c(SCc2cccc(-c3nc4cc5ccccc5cc4[nH]3)c2)c1 587140628 FBLIERFRVBUOKM-UHFFFAOYSA-N 402.469 6.954 0 1 HKAF Cc1cc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144365 JCLMOXZRBOCANI-UHFFFAOYSA-N 416.239 5.744 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCNc3cc(Cl)ccc32)[C@@H]1c1ccc(F)cc1 587335899 XEGGOGQISGQNDB-FYYLOGMGSA-N 409.844 5.255 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H]3c2ccc(F)cc2)c1 587360612 QOEZWBJWJMQUMO-FQEVSTJZSA-N 409.460 6.874 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC[C@H]3c2ncccc2C)c1 587364610 YLMDNSNYVRWKIG-OAQYLSRUSA-N 420.512 6.828 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4ccc(F)cc4Cl)c1)[C@@H](C2)C3=O 587426512 DAXKZYAKTZMUBB-CYFREDJKSA-N 424.855 5.555 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3cccc(Br)c13)CC2=O 587460633 VFMDXSBEJRUELT-SFHVURJKSA-N 400.272 5.295 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-c3ccc(Cl)cc3)c1)CC2=O 587463859 ZIEBGTUOQGWMOG-RUZDIDTESA-N 406.909 6.546 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccccc3C(F)(F)F)o1)CC2=O 587464613 UOZOGWCPBNSNJU-OAQYLSRUSA-N 416.395 6.330 0 1 HKAF CCOC(=O)CCC[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587504689 NAKRWJMFDNWFNL-VWLOTQADSA-N 410.485 5.299 0 1 HKAF CCC[C@H]1C(=O)N2CCCc3cccc(c32)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587521072 ACUGZDZSPBTVDX-CUNXSJBXSA-N 415.533 5.135 0 1 HKAF O=C1C[C@H](c2nc3c(s2)C[C@@H](c2ccccc2)CC3)Oc2c1ccc1c2CCCC1 587535208 JGGMXVURFHOVGC-FDDCHVKYSA-N 415.558 6.001 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(Cl)c(Cl)cc12 587552077 NFYYJMKHYMBRFM-DENIHFKCSA-N 413.256 5.502 0 1 HKAF Cc1cc(C)cc([C@]2(c3cccnc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587586951 MFBMXNKWWMGTRW-IGKIAQTJSA-N 423.468 5.309 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc(Cl)c2Cl)N1 587691084 BRJAUVHGGYUDJZ-VGDKGRGNSA-N 423.540 6.172 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(C(F)(F)F)c2F)N1 587710958 IDWHBRDCPLDAOK-GYKQLYQFSA-N 424.182 5.509 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(C(F)(F)F)ccc32)N1 587717274 WUJJNUINIBYUML-MLCYQJTMSA-N 414.240 5.331 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3cc(F)ccc32)N1 587731125 KJXGLDQQAOXIOU-PRWKNARSSA-N 408.286 5.066 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccco2)N1 587736805 UHFNZZBFXZEJDE-ODXCJYRJSA-N 404.254 5.146 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(C2CCCCC2)N1 587817444 CBOQHLXAALKAMT-MWTRTKDXSA-N 416.378 6.141 0 1 HKAF Cc1ccc(-c2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 587820927 RJABSPKPTSHBMX-WNSKOXEYSA-N 410.330 6.187 0 1 HKAF Cc1ccc2c(c1C)OCCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587833068 FHUQWCGLFIZZJO-ZSEKCTLFSA-N 404.323 5.155 0 1 HKAF COc1cc(O)cc(-c2cccc(-c3nc4cc(Br)cc(C)c4[nH]3)c2)c1 587930368 AJARYPIZUQTDTI-UHFFFAOYSA-N 409.283 5.682 0 1 HKAF CC(C)Oc1cc(-n2c(O)cc(-c3ccc(Cl)cc3)c2O)c(Cl)cc1Cl 587943395 ZCVZBZSHKPJGHB-UHFFFAOYSA-N 412.700 6.303 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(O)cc2[nH]1 587958769 HVWCNTFCNACRBA-UUQHCRCUSA-N 418.625 8.123 0 1 HKAF CC[C@@]1(Cc2nc3ccc(F)c(Br)c3[nH]2)CC(=O)c2ccccc2C1 587959518 GBJNUHTVXGLIKW-FQEVSTJZSA-N 401.279 5.233 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccccc2[nH]1 587959685 NEHVBVXDDNMHCK-RCHUDCCISA-N 402.626 8.417 0 1 HKAF CCN(CC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)(C)C)cc21 653795859 ZSXORHPDFWLXSO-UHFFFAOYSA-N 423.557 5.139 0 1 HKAF Cc1ccnc2c1CCN[C@@]21CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 963065356 DCTHWZMXQDLJQH-SAZCHDPFSA-N 406.614 5.055 0 1 HKAF Cc1ccc([C@]2(c3ccc(C(C)C)cc3)NCCc3c(Cl)cc(Cl)cc32)nc1 963119710 HNGMDABXTRMPIX-XMMPIXPASA-N 411.376 6.258 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1c[nH]c2cc(OCc3ccccc3)ccc12 963241741 NWPUBCSRPCMXCO-MMTVBGGISA-N 410.561 6.493 0 1 HKAF COc1cccc([C@H]2CCCC[C@@]23c2cccc(Br)c2CCN3C)c1 963269986 NDYWPDGFZYUAAQ-KNQAVFIVSA-N 400.360 5.499 0 1 HKAF CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OC)NC(=O)[C@@H]1CCCN1 1772585278 REHMIYQYTIEYDX-PGUOUDCTSA-N 408.627 5.044 0 1 HKAF COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3c4ccc(OC)cc4CCN32)cc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c1cc(O)cc(CCCCCC=CCCCCCCCc2cc(O)cc(O)c2)c1 2356616855 INRCFVYVWPWZJS-UHFFFAOYSA-N 412.570 6.751 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356619163 VQABOPQARYUTHF-WHVOOTLXSA-N 416.646 5.827 0 1 HKAF CC(=O)O[C@@H]1C[C@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)[C@@H]2CCc3ccoc3[C@]21C 2356795554 MFAXGAMFHFHMSS-GTNHJENVSA-N 412.614 6.684 0 1 HKAF COc1ccc(Cc2c(-c3ccc(OC)c(OC)c3)nc3ccc(C)cn23)c(C)c1 72103772 ZHGPKHBXSKWZEQ-UHFFFAOYSA-N 402.494 5.235 0 3 HKAF Cc1c(CC(=O)Nc2ccncc2)c2cc(C(C)C)ccc2n1Cc1ccc(F)cc1 13556644 LWBHYFHIAOPDFF-UHFFFAOYSA-N 415.512 5.837 0 1 HKAF CCCc1cc(C(=O)c2ccccc2)cc(CCC)c1O[C@H](C(=O)O)c1ccccc1 13646452 MKPLSEQCTOWGFL-SANMLTNESA-N 416.517 6.027 0 1 HKAF COc1c(CC=C(C)C)cc(C(=O)O[C@]2(C(C)C)CC=C(C)CC2)cc1CC=C(C)C 14444501 FTUGJEDDHXBMPK-MUUNZHRXSA-N 424.625 7.394 0 1 HKAF biogenic Oc1cc2cc(c1)Oc1c(O)cc(cc1O)CCCCCCCCCCCCCC2 14687507 ORJQIEGXRFXFHY-UHFFFAOYSA-N 412.570 7.376 0 1 HKAF biogenic COc1c(O)cc2c(c1CC=C(C)C)OC(=O)c1c(cc3c(c1O)C=CC(C)(C)O3)O2 15252133 IEORWLUZCJVMDT-UHFFFAOYSA-N 424.449 5.124 0 1 HKAF biogenic Fc1ccc(CCN(Cc2ccc(Oc3ccccc3)cc2)Cc2cnc[nH]2)cc1 28335278 GSHROJORMPAUBU-UHFFFAOYSA-N 401.485 5.586 0 1 HKAF CCc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCCCCC(=O)OC 28821617 QSDGZNNCMNZPHF-UHFFFAOYSA-N 404.554 6.293 0 1 HKAF CCCCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1 28822958 AYZIEZVCYWKWBL-UHFFFAOYSA-N 417.553 5.250 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCC(=O)OC[C@@H](O)CO 29045141 IDSLCYURGAOTOA-FZZXKYFZSA-N 404.591 5.585 0 1 HKAF CC/C(=C(\c1ccc(OC(C)=O)cc1)c1cccc(OC(C)=O)c1)c1ccccc1 29553453 PYDHJMZFARBBMV-QPLCGJKRSA-N 400.474 5.906 0 1 HKAF O=S(=O)(c1cccc2ccccc12)N1N=C2CCCC[C@H]2[C@H]1c1ccc(Cl)cc1 42988824 WVFWEWLIYCVEAL-NFBKMPQASA-N 424.953 5.785 0 1 HKAF C[C@H](O)c1cccc(-c2ccc(Nc3ccnc4cc(-c5nccs5)ccc34)cc2)c1 45196119 ZQOJLLPNGYCGOX-KRWDZBQOSA-N 423.541 6.822 0 1 HKAF COc1ccc(-c2cccc3nc(Nc4cc(OC)c(OC)c(OC)c4)oc23)cc1 49033909 XYSGFDULUQQBMY-UHFFFAOYSA-N 406.438 5.273 0 1 HKAF C[C@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O 59789397 HXGWUGDCIVSGLK-QNZUZPTASA-N 418.662 5.620 0 1 HKAF in-vitro Fc1ccc(Br)c(OC2CCN(c3nc4ccccc4s3)CC2)c1 72124842 HQZYPXRPDCWUAU-UHFFFAOYSA-N 407.308 5.246 0 1 HKAF Cc1ccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3cccc(C)c3)n2)cc1 82173981 KCTGLYFCWYKIOF-UHFFFAOYSA-N 414.578 6.155 0 1 HKAF CCCCCn1c(C2CC2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 82189468 PIJIUJJPBHFMFW-UHFFFAOYSA-N 418.372 5.855 0 1 HKAF CCCCCc1cc(OC)c2cc(Cc3ccc(Br)cc3)c(=O)oc2c1 96270883 CMVXSXQKCIEASR-UHFFFAOYSA-N 415.327 5.888 0 1 HKAF Fc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1Br 96905422 WYDZNMFNSCAELK-UHFFFAOYSA-N 419.297 6.731 0 1 HKAF CO[C@@H]1C=C(O)[C@H]2[C@@H]3[C@H]4CC[C@@]5(CC[C@H](Cc6ccccc6)C5)[C@]3(C)[C@](C)(C4)[C@@]12O 103575359 CFYWJOPGYQODMB-BRAZGVMHSA-N 408.582 5.290 0 1 HKAF biogenic,in-vitro CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(F)cc2)C2=C(O)CCCC2=N1 103867761 XHRPFTXPHYORQR-QHCPKHFHSA-N 405.469 5.420 0 1 HKAF CC(C)CCC[C@](C)(O)[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 135650351 RJXRRUHNMZQRFL-LVXDJYSUSA-N 416.646 5.971 0 1 HKAF O=C(O)c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2Oc2ccc(F)cc2)cn1 143189600 TVDDCLYOFQXJMX-UHFFFAOYSA-N 421.211 5.270 0 1 HKAF Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc([C@H]2CCCNC2)cc1 169340495 XFFNYLDVSCBRCG-QFIPXVFZSA-N 400.570 5.655 0 1 HKAF [C-]#[N+]c1cccc(-c2ccc3c(c2)[C@]2(CC(=N)N(C)O2)C2(CCC(OCC)CC2)C3)c1 169700381 HKUHEGLCGUKBEA-TXDAUAKNSA-N 415.537 5.866 0 1 HKAF Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc([C@@H](C)N=O)ccc1Cl 169718350 VVVYJUKBUKITLK-SNVBAGLBSA-N 404.253 6.037 0 1 HKAF CC1=C(O)[C@@H](C/C(C)=C\C=C\C(C)=C\CCc2coc(Cc3ccoc3)c2)OC1=O 199810724 VWLBUSPIDVXPRA-NPADGNDFSA-N 408.494 5.992 0 1 HKAF C[C@@H](c1ccccc1)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1 205434641 BLUQKEFNVDZORH-HNNXBMFYSA-N 401.441 5.332 0 1 HKAF C[C@@H](Nc1c(F)ccc(OCC(=O)O)c1F)c1cc(-c2cccc(F)c2)ccc1F 206898298 ZVLBYOJGKRWUDA-GFCCVEGCSA-N 419.374 5.547 0 1 HKAF C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc(F)cc(F)c4OC)c3c2)c1 221108755 FFYPNJOCHRXBDA-UHFFFAOYSA-N 405.404 5.308 0 1 HKAF Cc1nc(N[C@H](C)c2cccc(OCCF)c2)cc(-c2ccc3ncsc3c2)n1 221280893 FMNHBLNRQXKTCV-CQSZACIVSA-N 408.502 5.583 0 1 HKAF CCC(CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)=C(C)C 257545877 STLJXSQSUAPXFX-NQDRRATMSA-N 412.702 8.089 0 1 HKAF endogenous,in-man COC(=O)c1ccc(Oc2ccc3nc([C@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1 586884009 NICHKPNLSIPNSA-JTBPEFFYSA-N 402.494 5.610 0 1 HKAF O=[S@](Cc1nc2cccc(C(F)(F)F)c2[nH]1)C(c1ccccc1)c1ccccc1 586961883 YROSZPVRXUJKHY-GDLZYMKVSA-N 414.452 5.620 0 1 HKAF O=C1c2ccccc2-c2cc(Cc3cc(Cl)cc(Cl)c3)nc3ccc(O)c1c23 586987005 XEMORFGPDRLILN-UHFFFAOYSA-N 406.268 6.049 0 1 HKAF Cc1ccc2c3c(cc(-c4cnn(-c5ccc(Cl)cc5)c4)nc13)-c1ccccc1C2=O 586994033 UXOUXYCRKPDCRI-UHFFFAOYSA-N 421.887 6.261 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587014649 OFDLQRPZTZLSEH-UHFFFAOYSA-N 411.811 6.473 0 1 HKAF CCCCOc1cc2[nH]c(-c3cc4c(s3)CC[C@@H](C)C4)nc2cc1Br 587033574 JUDIMXSNCSMGDX-GFCCVEGCSA-N 419.388 6.358 0 1 HKAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(C(C)(C)C)cc3[nH]2)cc1 587040239 LXBOICNAODHJPF-HXUWFJFHSA-N 409.555 5.147 0 1 HKAF O=C(O)c1cc(F)cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587069178 HEZUHNYQJGWRGR-ATVHPVEESA-N 420.871 6.227 0 1 HKAF COc1ccc2c(c1)[C@@H](CC(=O)O)c1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O 587096814 HNVUWTHLVOYWES-HXUWFJFHSA-N 421.452 5.350 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1ccc(C(=O)O)cc1CCC4)-c1ccccc1C2=O 587100978 JFHMGFSDOVYZMC-UHFFFAOYSA-N 405.453 5.609 0 1 HKAF COc1ccc2[nH]cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2c1 587349540 VEICCEKKYODATR-ILBGXUMGSA-N 417.436 5.296 0 1 HKAF C[C@]1(c2cc3cccc(O)c3o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351079 HVNGIWVARHCSLY-ZJSXRUAMSA-N 404.393 5.257 0 1 HKAF CC[C@H](C)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587354612 OFACHRZWADPMIU-YIOXSFGVSA-N 404.481 6.319 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)(c1ccc(Br)cc1)O2 587370558 GCRDBEIZGKNDQW-HSZRJFAPSA-N 422.322 5.443 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3[C@@H]4CC[C@H]5CC=CC[C@]5(C)[C@H]4CC[C@@]31C)O2 587409904 XRDZQNFNRJIKLK-IWSMJVLDSA-N 419.609 6.490 0 1 HKAF COc1cc2c3c(c1)O[C@]1(c4ccccc4Sc4ccc(C(C)C)cc41)[C@@H](C2)C3=O 587454099 UVTUJPLXZMRMHR-FNZWTVRRSA-N 414.526 5.974 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(CN3CCCCC3)c1)CC2=O 587473866 CKIDCQUYDYAGIV-AREMUKBSSA-N 423.553 5.220 0 1 HKAF Cc1ccc(C)c(-c2nc3ncccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587513775 FJIITOSSLNDTBH-HSZRJFAPSA-N 423.516 5.598 0 1 HKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1-c1ccc3ccccc3c12 587529293 MXSDNDBONUKDBD-LJAQVGFWSA-N 402.493 6.608 0 1 HKAF O=C1C[C@](c2ccc(-c3ccccc3)cc2)([C@@H]2CCCO2)Oc2c1ccc1c2CCCC1 587535114 IPQDSOPKNXSYDU-YTMVLYRLSA-N 424.540 6.272 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-n1nc(Cl)nc1Cl 587626569 XGPIFAJLHYYUND-UHFFFAOYSA-N 403.113 5.401 0 1 HKAF Cc1nc2ccc(Br)cc2c(Cl)c1Cc1c(C)[nH]c2cccc(F)c12 587632642 NTPFNSYEFGXLBA-UHFFFAOYSA-N 417.709 6.479 0 1 HKAF O=C(O)c1cccc2c([C@@H](C(=O)O)c3ccc(Cl)cc3)c(-c3ccccc3)[nH]c12 587639270 YZRDCCUJNDMNQV-SFHVURJKSA-N 405.837 5.403 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(NC(=O)CC(C)=O)cc3)c2c1 587640496 ARFSUFGRPOTZON-CQSZACIVSA-N 405.498 5.160 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1Cl 587695866 SHCYIBUPXKMRCC-XLFHBGCDSA-N 403.122 5.827 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC(F)(F)F)c2F)N1 587722230 RVRFQWMVSOZRHM-VPTHRUTESA-N 422.191 5.250 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(F)c2)N1 587728888 GCAUPYXLAJKCRC-FPTDNZKUSA-N 414.293 5.553 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C[C@@H](C)c2cn(C)c3ccccc23)N1 587759793 VPMFRHSESMEABN-BIENJYKASA-N 415.350 5.849 0 1 HKAF FC(F)(F)c1c(Br)ccc2nc(COC/C=C/c3ccccc3)[nH]c12 587780915 LULNOXKAGTWHHC-QPJJXVBHSA-N 411.221 5.574 0 1 HKAF CC(C)Oc1ccc(CC[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587792782 MTUKZHVGWFMYSL-AUUYWEPGSA-N 406.339 5.584 0 1 HKAF Cc1cc(C(C)(C)C)cc(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587816250 VUHOPHJJBMTRQK-WNSKOXEYSA-N 418.394 6.300 0 1 HKAF CCCCC[C@]1(c2ccc(O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587832061 JDMQDNSKZZOJER-LHSJRXKWSA-N 406.339 5.652 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(O)c3)cc2)N1 587833688 OWTPZTSXLFARHW-MCMMXHMISA-N 412.302 5.584 0 1 HKAF COc1ccc([C@]2(CCc3cccc(Cl)c3)NCCc3ccc(F)c(C)c32)cc1 962094646 UBCCGXAYGMZBEP-VWLOTQADSA-N 409.932 5.818 0 1 HKAF Cc1ccnc([C@@]2(c3c(F)c(F)c(F)c(F)c3F)NCCc3c2sc(C)c3C)c1 963018081 DRUYPWCLRFQOCY-NRFANRHFSA-N 424.438 5.201 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@]21C=C(c2ccccc2Cl)Oc2ccccc21 963097859 NTEJYVBWZROHHH-BCHFMIIMSA-N 417.911 6.177 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1ccc(Sc2ccccc2Cl)nc1 963110294 QMXQBWNHXAOGLW-MBSDFSHPSA-N 410.945 6.135 0 1 HKAF COc1ccc([C@@H]2C[C@H]2[C@]2(c3ccccc3)NCCc3c(Cl)cc(Cl)cc32)cc1 963111796 SHMHWERPEFXFDZ-QQKQFIJSSA-N 424.371 6.195 0 1 HKAF CCCC[C@@]1(C(CC)CC)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963172699 DOKOUULVROUAEH-HKUYNNGSSA-N 405.888 5.779 0 1 HKAF CCCc1[nH]nc2c1[C@@H](c1ccc(Cl)cc1)c1c(nc3c(c1N)CSCC3)O2 1772571478 XKXINMSHMLUBBF-MRXNPFEDSA-N 412.946 5.068 0 1 HKAF FC(F)(F)c1ccnc(Nc2cc(OC3CCOCC3)cc(-c3ccccc3)c2)n1 1772640343 QGBNWVDRPSCCSW-UHFFFAOYSA-N 415.415 5.464 0 1 HKAF Cc1cccc(Cl)c1-n1cnc2nc(Nc3ccc(Cl)cc3)sc2c1=O 1857572872 LYGNZPBMFQPVFI-UHFFFAOYSA-N 403.294 5.201 0 1 HKAF CN1C(=N)N[C@@](c2ccccc2)(c2cccc(-c3cccc(-c4ccccc4)c3)c2)C1=O 1857574583 RMAXPKCSJAUMAL-NDEPHWFRSA-N 417.512 5.261 0 1 HKAF c1ccc(-c2ccc(NCCCN3CCCCC3)c(OCCN3CCCCC3)c2)cc1 1857648187 QJJRZILWWXMMQK-UHFFFAOYSA-N 421.629 5.506 0 1 HKAF Cc1ccc(-c2cc(S(=O)(=O)NC3CCCCC3)nnc2-c2ccc(C)cc2)cc1 1857754096 OPIARINTTVHYJF-UHFFFAOYSA-N 421.566 5.038 0 1 HKAF CCCCC[C@@H]1C[C@@H]2[C@H](NC)CC[C@@]34C[C@@]2(C1)[C@@H]3[C@@H](O)C[C@@]1(C)CCC[C@@]4(O)C1 2356367851 JEJWGRWLISTUJH-FLUXMTMSSA-N 403.651 5.043 0 1 HKAF CC(C)=CC(=O)OCC1=CCC[C@@H]2[C@]1(C(=O)O)CC[C@@H](C)[C@@]2(C)CCc1ccoc1 2356421129 AKEJQJWVKAMFBO-UWBTVBNJSA-N 414.542 5.565 0 1 HKAF CO[C@]1(C(C)C)C=C2[C@H](OC(C)=O)C[C@@H]3[C@](C)(COC(C)=O)CCC[C@@]3(C)[C@H]2CC1 2356575765 AJRWAVGXZFZZSG-AIOSZGMZSA-N 420.590 5.075 0 1 HKAF CC(C)C[C@H](O)[C@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356616743 FHSVMYDBGPVTTJ-JCWLNVIASA-N 420.678 5.410 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 2356630466 SDNBTLXXEFTSQK-ZSMGTUNXSA-N 418.706 6.685 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)[C@@H](C)[C@@H]1C(=O)C3 2356668805 CALSSZVDBCEOTA-ODCQINPFSA-N 424.669 7.476 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C 2356807530 XVKYNQLFVQLBRN-XJPLXHCOSA-N 418.662 5.474 0 1 HKAF Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1C=C[C@@H](OC(=O)N[C@H](C)c2ccccc2)C1 2356810582 AYYVZKYDDGHPSJ-AYPBNUJASA-N 419.500 5.528 0 1 HKAF CC(C)CC=C[C@H](C(=O)O)C1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2O)C1 2356868409 XBGUSQBSWPZOOX-RQYUWBKXSA-N 414.630 6.229 0 1 HKAF COc1cc2nc(Cl)nc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC 11756311 GPXSDHUBEUJTDU-UHFFFAOYSA-N 407.857 5.836 0 1 HKAF Cc1ccc(C[C@H](O)[C@H]2CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)cc1 13560797 MYCFEQUEOWZARC-STXQHDJLSA-N 416.540 5.669 0 1 HKAF CO[C@]1(CCc2ccccc2)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 13671531 GCBCNNNYHZBPGK-CCHFCTFWSA-N 408.626 6.616 0 1 HKAF Cc1c(Cc2c(F)cccc2F)nc(SCc2ccc(C(C)C)cc2)[nH]c1=O 13677577 AMLDRAQOQUNEOJ-UHFFFAOYSA-N 400.494 5.363 0 1 HKAF C[C@H]1C(=O)c2c(n(O)c3ccc(Cl)cc3c2=O)C[C@H]1c1ccc(Cl)cc1Cl 27091159 ZUZNTCRLGKBFRH-NOZJJQNGSA-N 422.695 5.358 0 1 HKAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1cccc2ccccc12 27518787 OOWFOSWUCIMXNB-MJXUZWQSSA-N 412.573 6.375 0 1 HKAF O=C(Nc1ccc(-c2ccccc2)cc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 28523099 OKNQLKNXDRDJJV-JWQCQUIFSA-N 413.521 5.003 0 1 HKAF Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)C(C)(C)C[C@H]2CC(=O)O 28951935 FFXCXZVCRKXCQS-GOSISDBHSA-N 405.494 5.511 0 1 HKAF Cc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)c(C)n1CC1CC1 28954362 RWPLAHLWOIJVAB-PLRJNAJWSA-N 410.505 5.634 0 1 HKAF Nc1ccc2nc(-c3ccccc3)cc(Nc3ccc(OCC4CCCCC4)cc3)c2c1 29346600 DRFARKKQOXBKCE-UHFFFAOYSA-N 423.560 7.187 0 1 HKAF Clc1ccc(CCc2noc(-c3cc4c(CCN5CCCC5)cccc4[nH]3)n2)cc1 36311423 INDHQOLUIOTSNU-UHFFFAOYSA-N 420.944 5.295 0 1 HKAF COC(=O)[C@H](Oc1ccc(F)cc1)c1ccc(Sc2ccc(Cl)cc2)cc1 39242766 XTASLUPPQBHGNK-HXUWFJFHSA-N 402.874 5.923 0 1 HKAF Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)Nc1ccccc1 40845371 QNWVZIVFJXMAAY-UHFFFAOYSA-N 413.521 5.300 0 1 HKAF CSc1ccc(-c2ccc(/C=C3\C=C(CC(=O)O)c4cc(F)ccc43)cc2)cc1 40848154 BKQDXUGDZBIWKJ-XDHOZWIPSA-N 402.490 6.627 0 1 HKAF CC(=O)N1N=C(Nc2nc3ccc(Cl)cc3s2)C[C@@H]1c1ccc(Cl)cc1 45258815 APNHUIAOJRTFEF-OAHLLOKOSA-N 405.310 5.322 0 1 HKAF CCOC(=O)c1c(N)oc2c1c(Sc1cccc(Cl)c1)c(O)c1ncccc12 66099278 PZQQJEAYPGICFE-UHFFFAOYSA-N 414.870 5.250 0 1 HKAF Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(F)c1F 66139519 UKOZMUQTAPXJFT-UHFFFAOYSA-N 418.469 5.160 0 1 HKAF COc1ccc(Oc2cc(NCc3cccc4ccccc34)ncn2)c2ccccc12 82067870 XUJRXBNWFKQDIF-UHFFFAOYSA-N 407.473 6.196 0 1 HKAF O=C(NCc1ccccc1)c1cnc(NCC2CCCCC2)nc1-c1ccccc1F 82152251 PONCARNJRUHSTP-UHFFFAOYSA-N 418.516 5.205 0 1 HKAF Cc1c(-c2ccc(-c3ccc(CN4CCOCC4)cc3)cc2)[nH]c2ccccc2c1=O 84653010 ZJFJHQWXIFGIQX-UHFFFAOYSA-N 410.517 5.003 0 1 HKAF O=C(CCc1ccccc1)Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2 84688071 VAEMXEJCEKAAHC-UHFFFAOYSA-N 419.575 5.242 0 1 HKAF CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(Nc3ccccn3)cc2)cc1 84703932 GHDVVWUXZTVUKT-UHFFFAOYSA-N 404.539 5.250 0 1 HKAF CCN(CC)c1ccc(Nc2nc(-c3ccc(-n4ccnc4)cc3)cs2)c(C)c1 95573083 ZAYVDODIKJTELC-UHFFFAOYSA-N 403.555 5.894 0 1 HKAF Brc1ccccc1C[n+]1cn(Cc2cc3ccccc3o2)c2ccccc21 96930254 WWMQMOSPANEZHV-UHFFFAOYSA-N 418.314 5.534 0 1 HKAF COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3C(Cl)=NC=N[C@H]32)cc1 98084636 ZCMRDWHYJKVANH-RDGATRHJSA-N 413.908 5.705 0 1 HKAF COC12C[C@@H]3C[C@@H](C1)CC(c1nnc4c(Oc5cccc(Cl)c5C)cccn14)(C3)C2 101426883 QEBHYWPLCVDWCM-WADIDORASA-N 423.944 5.720 0 1 HKAF C[C@@H](C1=NC[C@](C)(O)CC1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137396171 YCTLKNVWQFQYLE-KOXVGQPNSA-N 413.646 5.548 0 1 HKAF FC(F)(F)c1ccc2nc([C@@H]3[C@@H]4Oc5ccc(Oc6ccncc6)cc5[C@H]43)[nH]c2c1 150300643 MQIILRMBQJPTPO-SLFFLAALSA-N 409.367 5.411 0 1 HKAF O=C1CC[C@H](c2ccccc2-c2ccccc2)N1Cc1cccc(-c2ccccc2)c1 167694736 ZAMDUPISIIFIES-MUUNZHRXSA-N 403.525 6.884 0 1 HKAF COc1ccccc1C[C@@H](c1ccccc1)N1CCN(C2CCCCCCC2)CC1 169317881 CPKJSXZGPXKFPK-SANMLTNESA-N 406.614 5.710 0 1 HKAF C[S@](=O)c1ccc(NC(=O)c2cccc(SCc3ccc(Cl)cc3)c2)cc1 220625353 PJIWKURXWHPAMD-MHZLTWQESA-N 415.967 5.622 0 1 HKAF Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(Cc3n[nH]c(=S)o3)ccc12 220960508 VGHIWJDPXWKRGH-UHFFFAOYSA-N 405.310 5.336 0 1 HKAF CC(C)=C[C@@H]1Oc2cc(O)ccc2-c2oc3cc(O)c(/C=C\C(C)C)c(O)c3c(=O)c21 226298910 AXHZIEAQVMBUKO-WPGJWXSHSA-N 420.461 5.646 0 1 HKAF COc1cc(C(=O)c2c(-c3ccccc3)[nH]c3cccc(OC)c23)cc(OC)c1OC 473098044 FEZRZOGDMQJBAL-UHFFFAOYSA-N 417.461 5.100 0 1 HKAF O=C(O)/C=C\c1ccccc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586881334 WRFBYUUWLMHQKC-WAYWQWQTSA-N 411.177 5.109 0 1 HKAF CC[C@@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 586893842 YYNFXLMEVQJIIR-BEFAXECRSA-N 423.460 5.286 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(-c4ccc5c(c4O)CCCC5)[nH]c3c2)cc1 586898251 NSKUUQUYTNVZPG-UHFFFAOYSA-N 414.461 5.393 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(OC)c(Cl)cc2[nH]1 587035766 YMNCPAVLPASIIO-CQSZACIVSA-N 413.930 5.711 0 1 HKAF Brc1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cn1 587038901 BYSJQRBQBHHPMP-UHFFFAOYSA-N 423.339 5.566 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c2)c1 587049921 NGYPONGFCBWTBK-UHFFFAOYSA-N 402.668 6.065 0 1 HKAF CCOC(=O)Cc1ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c1 587062180 DKXWTJGJJFBWNS-UHFFFAOYSA-N 404.897 5.580 0 1 HKAF FC(F)(F)Sc1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587073742 LYCOJADTMSOVNN-KRWDZBQOSA-N 411.880 6.165 0 1 HKAF Cc1cc(Br)cc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 587163390 ILYGRQGVZRDJFS-YBEGLDIGSA-N 413.315 6.423 0 1 HKAF Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(Cl)ncc3[nH]2)cc1 587164922 FKIBJNWWASFMGV-UHFFFAOYSA-N 418.863 5.088 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(Cl)ccc3C2)[C@H]1c1ccc(F)cc1 587330060 MYAYGZXIQIKCRG-LADGPHEKSA-N 408.856 5.471 0 1 HKAF Nc1cccc2c1-c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331617 DWHFKFFOFPJQRB-BDYUSTAISA-N 423.443 5.397 0 1 HKAF COc1cccc(-c2cc(-c3nc4ccccc4n3C)nc3c2oc2ccccc23)c1 587361906 BPZUHFORAQCLBF-UHFFFAOYSA-N 405.457 6.210 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cccc1Oc1c(C)ccc(C)c1C)O2 587376284 RLYFSLCKZGFYHC-JOCHJYFZSA-N 421.924 6.655 0 1 HKAF CCCC[C@@]1(c2ccc(Br)c(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587413402 OCKOAWIUVXCJEW-VGSWGCGISA-N 415.327 5.599 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(-c4cc(C)ccc4C)nc4c(C)cccn14)[C@@H](C2)C3=O 587436949 WDZJUOMJBZDCQU-FNZWTVRRSA-N 424.500 5.424 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)Nc3ccccc3)cc1)CC2=O 587471329 QUMJPCXOHOFPRJ-QHCPKHFHSA-N 401.462 5.304 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc3ccccc3c1)CC2=O 587479649 IWEGVENQDZIIPV-AREMUKBSSA-N 418.489 5.312 0 1 HKAF CN(C)/C=C/[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587507480 MFMLTEZKZXHMDS-MDRMPYQZSA-N 415.455 5.520 0 1 HKAF O=C1C[C@H](c2c(F)ccc(C3OCCO3)c2Cl)Oc2c1ccc1c2CCCC1 587510145 ZDTOTLTUEZXLQU-GOSISDBHSA-N 402.849 5.110 0 1 HKAF O=C1C[C@H](c2cnc(-c3cccc4ccccc34)nc2)Oc2c1ccc1c2CCCC1 587514230 HPAPDNWSONPEOS-RUZDIDTESA-N 406.485 5.882 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)C[C@@]1(CC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589077 NKVQWKGQLHCCQT-JYFHCDHNSA-N 411.457 5.071 0 1 HKAF CCOc1cc(OCC)cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587593435 DFLWNORYXVRHQZ-DHLKQENFSA-N 420.461 5.067 0 1 HKAF Cc1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 587600185 MQJMWQYZRTZYFA-SHQCIBLASA-N 424.452 6.196 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1OC(=O)c1ccccc1N 587628784 ZQJMVWZFCRBOBE-UHFFFAOYSA-N 402.294 5.315 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)c(N)c(Cl)c2)N1 587697495 WISHTZAPQBRIAP-CQLKUDPESA-N 418.137 5.275 0 1 HKAF CCCCCOc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587792406 KVFRRIJLPXPUHA-QRQCRPRQSA-N 420.366 5.955 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c4c(cccc24)CC3)N1 587815035 JSPCQCMUMCUYGW-NPMABZOXSA-N 410.330 5.638 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cc3ccccc3)s2)N1 587847920 MUDCXQKNJXXVFM-YEJXKQKISA-N 416.359 5.864 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(-c3ccccc3)s2)N1 587853280 MDTUJIIVFQRDJE-ODXCJYRJSA-N 417.347 5.509 0 1 HKAF COc1cc(C)ccc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587924756 FCSCDFQONFCVQW-UHFFFAOYSA-N 401.182 5.208 0 1 HKAF O=C1[C@H](CN2CCC(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1 653702258 GSIYIELKTQIWKO-SANMLTNESA-N 423.600 5.907 0 1 HKAF c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@H]3c3cncc(-c4cccs4)c3)C2)cc1 962633814 GRKZTPHKWWDJGQ-RPLLCQBOSA-N 423.585 5.646 0 1 HKAF COc1ccc2c(c1OC)[C@H](c1cccc(-c3ccc(C(=O)O)cc3)c1)N(C)[C@H](C)C2 962634602 UNDQRYJXASHFLE-GYCJOSAFSA-N 417.505 5.035 0 1 HKAF COc1ccc2c(c1OC)[C@@](Cc1ccccc1Cl)(c1ccccc1)N(C)[C@@H](C)C2 962636837 NMADXCALGLEAEN-HFJWLAOPSA-N 421.968 5.720 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(-c3cc(C(=O)O)ccc3C)o2)N1 962950705 HUTQIDZGOINXBJ-FYSMJZIKSA-N 400.478 5.448 0 1 HKAF Clc1ccc([C@]2(C3CCOCC3)c3ccsc3CCN2Cc2cccnc2)cc1 963002543 BZEGIUHNIPHDCD-DEOSSOPVSA-N 424.997 5.525 0 1 HKAF Cc1cccc2nc(NC(=O)c3cccc(C(F)(F)F)c3)n([C@H]3CC[C@H](O)CC3)c12 1772618820 CWNIOBAJEBWIJB-QAQDUYKDSA-N 417.431 5.092 0 1 HKAF COc1ccccc1-c1cnc2[nH]cc(-c3ccc(C(N)=O)c(C4CCCC4)c3)c2c1 1857751825 PEOMRLVZAVSRQW-UHFFFAOYSA-N 411.505 5.662 0 1 HKAF CCCCC[C@@H](O)/C=C/c1c(Cl)cc(Cl)c(=O)n1CCCCCCC(=O)O 1911577055 XYACDSMVDVMDOL-AYJWMTRPSA-N 418.361 5.145 0 1 HKAF C[C@H]1CC[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)OC1=O 2356404898 AFEXHFWTRVEKQA-TXXMXETKSA-N 414.630 6.192 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC[C@]56C[C@]5(C)C(=O)CC[C@@H]6[C@]4(C)CC[C@]3(C)[C@@H]2C1 2356434965 LBIQJQUFSJKHIO-LRBKVFKKSA-N 424.713 8.211 0 1 HKAF CO[C@@H]1C[C@@H]2[C@](C)(COC(=O)CCC(=O)O)CCC[C@@]2(C)c2ccc(C(C)C)cc21 2356648942 UUEITCHLKYSZKN-ZLSIYFNSSA-N 416.558 5.373 0 1 HKAF CC(=CCn1c[n+](C)c2ncnc(N)c21)CC[C@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@@H]21 2356871634 YCSGSEAQYPDNAQ-ZEZQGNGESA-N 422.641 5.363 0 1 HKAF CCCCNC(=O)c1nc2cc(C)c(C)cc2nc1-c1cccc(Br)c1 206051538 AETGEGZEQZYAFS-UHFFFAOYSA-N 412.331 5.206 0 3 HKAF COc1ccccc1/C=C(\NC(=O)c1ccccc1)c1nc2ccc(Cl)cc2[nH]1 5503300 JJEGKEGLGMYUDF-MOSHPQCFSA-N 403.869 5.153 0 1 HKAF C=Cc1ccc(Cn2c(C(=O)O)c(CNC3CCCCCCC3)c3ccccc32)cc1 9531551 ZVNUHNHTSHPTFP-UHFFFAOYSA-N 416.565 6.233 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C 13652457 PKFBWEUIKKCWEW-WEZTXPJVSA-N 404.635 5.539 0 1 HKAF COc1ccc(NC(=O)/C=C/c2c(C(=O)O)[nH]c3cc(Cl)cc(Cl)c23)c(C)c1 13761285 COOHMTPXHBZYNI-GQCTYLIASA-N 419.264 5.142 0 1 HKAF Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2n1 13835527 BUMAAVJDIPVXNH-UHFFFAOYSA-N 417.896 5.610 0 1 HKAF CCCCN(CCCC)CCCOc1ccc(/C=C/c2nc3ccccc3n2C)cc1 29476700 OKQNRDCHGSDAAP-OBGWFSINSA-N 419.613 6.415 0 1 HKAF Fc1ccc(Cn2c(NC3CCN(C4CCCCC4)CC3)nc3ccccc32)cc1 29566737 NTQFSYCNLNWKED-UHFFFAOYSA-N 406.549 5.433 0 1 HKAF CC(C)c1cc(C(C)C)c([P@]2(=O)C[C@H]3C(Cl)(Cl)[C@@]3(C)C2)c(C(C)C)c1 31905142 PKOMNWPTRSMZCM-AOUJKTHWSA-N 401.358 6.869 0 1 HKAF Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(-c2ccc(Cl)cc2Cl)c1CN 34636269 XRGILQWNFWIJNH-UHFFFAOYSA-N 417.727 5.791 0 1 HKAF CC(C)=CCC[C@@H](C)C1=C2CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]2(C)CC1 38280807 UEAYGVWWOONEPF-LDVGADHASA-N 424.713 8.687 0 1 HKAF CC1=CCC[C@@H]2[C@@](C)(CCC3=CC[C@H](C4=CC(=O)O[C@H]4O)OC3)[C@@H](C)CC[C@@]12C 39180780 WBDQPITVPUAHAN-DRCQBYJMSA-N 400.559 5.082 0 1 HKAF in-vivo COC(=O)[C@H]1CC=C(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)C[C@H]1C(=O)OC 40457107 MRKGZZRVSSGZIK-AWAHEQQVSA-N 422.650 6.724 0 1 HKAF CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(OC)cc2Cl)c1=O 43074926 BPXDUSXOXMQMQG-CYBMUJFWSA-N 402.709 5.317 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C1CC1 43241745 ASQQWVOLSZUIGD-CQNOQWDGSA-N 408.714 10.359 0 1 HKAF Cc1ccoc1C(=O)Nc1ccc(-c2cccc(-c3nc4cccc(C)c4[nH]3)c2)cc1 45195132 KKWWRSFDAYNQMU-UHFFFAOYSA-N 407.473 6.359 0 1 HKAF Cc1ccc([C@@H]2ON=C(c3ccc(C4=NO[C@@H](c5ccc(C)cc5)O4)cc3)O2)cc1 49020447 QLVPZJJUAQFCIZ-ZEQRLZLVSA-N 400.434 5.118 0 1 HKAF COc1cc2c(c(O)c1CC=C(C)C)C[C@H](c1ccc(O)c(/C=C/C(C)C)c1O)CO2 59729511 HWJXKLRHGKKFBY-JKNJVXJCSA-N 424.537 5.709 0 1 HKAF COc1ccc(-c2cnc(-c3cnc(N(C)CC(C)C)nc3-c3ccco3)s2)cc1 82165472 UDZRPXAGVWHZBS-UHFFFAOYSA-N 420.538 5.628 0 1 HKAF c1ccc(-c2nc3c(NC4CCCCCC4)ncnc3n2CCN2CCCCC2)cc1 82187190 SFOGXIKYCNMCKW-UHFFFAOYSA-N 418.589 5.114 0 1 HKAF Cc1ccc(CNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccco3)n2)cc1 82219729 XZOUKCWZZICHFZ-UHFFFAOYSA-N 422.488 6.288 0 1 HKAF Fc1ccc(-n2cc(COc3ccccc3-c3nc4ccccc4s3)nn2)cc1 84687837 DYYJMMDAXUQJOP-UHFFFAOYSA-N 402.454 5.262 0 1 HKAF COC(=O)c1ccc(OCc2ccc3ccccc3n2)cc1C(C)(C)c1ccccc1 84756980 UIBBLIPGGXDOLE-UHFFFAOYSA-N 411.501 5.926 0 1 HKAF COc1c2c(c(CC=C(C)C)c3c1C(=O)C[C@@H](c1ccccc1)O3)OC(C)(C)C=C2 95486267 HVBOPNPRQUKWTB-NRFANRHFSA-N 404.506 6.095 0 1 HKAF biogenic,in-vitro CCCCCn1c(C)c(C(=O)N[C@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)c2cccc(OC)c21 95607042 RPGZRVZCBGRDRB-VAQLEPBLSA-N 410.602 6.093 0 1 HKAF O=C1C[C@@H](c2ccccc2)C(=O)N[C@H](c2ccccc2)C/C=C\C[C@@H](c2ccccc2)N1 95663519 GPBYDCUKLUJVJM-IVQJGDRTSA-N 424.544 5.225 0 1 HKAF S=C(Nc1ccc(Br)cc1)Nc1nc2c(ccc3ccccc32)s1 103294832 FFGPJEXYJOLLIO-UHFFFAOYSA-N 414.353 6.021 0 1 HKAF C[C@@H](c1ccc(-c2cccnc2)cc1)N1CC[C@](CCCO)(c2ccccc2)OC1=O 114919566 IXGMDVQFYQFYDF-RXFWQSSRSA-N 416.521 5.320 0 1 HKAF CC(=O)N[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(c5cncc(F)c5)[C@@]4(C)CC[C@@H]32)C1 141909646 FLFXZIDACNPYGC-BRSOJCHPSA-N 408.561 5.682 0 1 HKAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](NCCCc3ccccc3)CC[C@H]12 150338559 WAVOKPPRKZTUNS-QXLMEFJZSA-N 403.610 6.142 0 1 HKAF aggregator CCN1c2cc(C)ccc2N=C2CC(C)(C)CC(=O)[C@H]2[C@@H]1c1c(F)cccc1Cl 169722010 IQAPNRIITLPCHN-GOTSBHOMSA-N 412.936 6.447 0 1 HKAF COc1ccccc1NC(=O)c1cc(Cl)ccc1Sc1ccc([N+](=O)[O-])cc1 203335741 GZGBZBKPQJKUCA-UHFFFAOYSA-N 414.870 5.660 0 1 HKAF O=C1c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2OCCN1Cc1ccccc1 206203040 FKGJWGGGYYXADU-UHFFFAOYSA-N 413.395 5.287 0 1 HKAF CCOC(=O)[C@@H]1C[C@@H](C(C)C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990315 CRMRZMPSXPPDRE-KBXCAEBGSA-N 415.489 5.017 0 1 HKAF CCCn1cnc2cc(-c3nc4ccc(SC)cc4[nH]3)cc(Br)c21 587005129 OKZXUOQWKMPXRV-UHFFFAOYSA-N 401.333 5.474 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc(/C=C/c5ccsc5)[nH]c4c3)o2)cc1 587025995 QINQGPKEBJLDHF-XNWCZRBMSA-N 400.463 5.520 0 1 HKAF Cc1c(Cl)ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 587027477 RBCDAGPEQMDTFZ-MNEFBYGVSA-N 413.974 5.661 0 1 HKAF Cc1cc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1F 587031168 LZVKNANYFNHQDD-BXRZMRDGSA-N 402.520 5.137 0 1 HKAF C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ncc[nH]c-2n1 587054818 MBEFARSXFOZSGY-LLVKDONJSA-N 401.253 5.544 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 587072566 RZRLDMKDFIYAQC-IKNXXGATSA-N 411.254 6.653 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@@H](c1ccc(OC(C)C)cc1)CC4)-c1ccccc1C2=O 587095765 ADPBXZPDWMXRFA-HXUWFJFHSA-N 419.524 6.620 0 1 HKAF Cc1c(-c2ccc(C3CCCCC3)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099634 QDIRUVHZZAQSQU-UHFFFAOYSA-N 417.552 7.778 0 1 HKAF Cc1nc(-c2cc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cs2)cs1 587101224 FHBUAHBFOREXNJ-UHFFFAOYSA-N 424.550 6.915 0 1 HKAF FC(F)(F)c1nc2ccncc2cc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587115935 FVIBXLHYYLSNOZ-UHFFFAOYSA-N 420.394 5.771 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c(Cl)c2)cc1F 587146103 ZQIDXRNDKNYJFV-UHFFFAOYSA-N 420.793 6.896 0 1 HKAF COC(=O)c1cc2nc(-c3ccc(Cl)nc3F)[nH]c2c(F)c1Nc1ccccc1 587177692 UMCFYCUZSSMBIP-UHFFFAOYSA-N 414.799 5.087 0 1 HKAF CC(C)[C@@H](c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)N(C)C 587198716 KYOUWVWTBAISFV-SFHVURJKSA-N 422.426 5.232 0 1 HKAF Nc1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1-2 587338098 QLMDRNHWUIZQPY-SHQCIBLASA-N 423.443 5.397 0 1 HKAF COc1ccc([C@H](C)[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587352015 NSOPZULWKGRLTB-LMDNVDAOSA-N 406.453 5.461 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 587356696 RCIRNAIVTYTOAG-IAPPQJPRSA-N 424.471 6.028 0 1 HKAF CCCCCc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587357877 WHHSWCVFAFEWAY-AHKZPQOWSA-N 418.508 6.538 0 1 HKAF COc1cccc(-c2cc(CC(=O)OCCC(C)C)nc3c2oc2ccccc23)c1 587362022 CJIPBJUGPATLIY-UHFFFAOYSA-N 403.478 5.788 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCCC[C@@H]3c2ccccc2)c1 587365580 HMAYBAPEQRIBFS-JOCHJYFZSA-N 419.524 7.515 0 1 HKAF CCc1nc(C)c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)s1 587365854 OFFBBVFKZIWWOH-UHFFFAOYSA-N 400.503 6.651 0 1 HKAF COc1cccc(-c2cc(-c3ccc(S)c(OC)c3)nc3c2oc2ccccc23)c1 587367072 YEKXDTDLOWYKJG-UHFFFAOYSA-N 413.498 6.621 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccccc2C2=C1CCC(C)(C)O2 587475935 BFBMVCSTSNVBKC-AREMUKBSSA-N 418.489 5.245 0 1 HKAF O=C1C[C@]2(CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)Oc2c1ccc1c2CCCC1 587518850 RGQBUZCGZYJRSO-QURRFSBHSA-N 401.550 5.202 0 1 HKAF CCOc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 587527558 XPRJZHVEDYEDEW-MHZLTWQESA-N 414.501 5.579 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1CN1CCCCC1 587590889 CZQXABMNSSVKAQ-JYFHCDHNSA-N 415.489 5.081 0 1 HKAF COc1ccccc1[C@]1(C2CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599981 JTYAYCZKKOPSDR-OZXSUGGESA-N 416.473 5.448 0 1 HKAF CC1=C(CC[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(C)(C)CCC1 587601780 HJASWXKRERVXTH-GJZUVCINSA-N 406.522 6.419 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c1sc1ccccc12 587616113 BMLWFWKCDPFUIP-RDGATRHJSA-N 424.477 6.463 0 1 HKAF CCCCc1c(-c2cn(C)nc2C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628266 QGOPITBMSHXUQG-UHFFFAOYSA-N 403.370 6.257 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCNc3ccc(Cl)cc32)N1 587702804 WQXHXOXGJLUBLH-JEOXALJRSA-N 409.730 5.225 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1OC(F)F 587719856 RKIGHOGSEKYBLU-PIGZYNQJSA-N 414.265 5.430 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)(F)F)cc2)N1 587720890 OOZJTFAODYQZFK-XXFAHNHDSA-N 404.201 5.110 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3[nH]c4ccc(F)cc4c32)N1 587727033 BGCKZWZWMSFXHG-WSVYEEACSA-N 417.297 5.323 0 1 HKAF CC(C)CCOc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587795807 RQOZONUNFJIZKS-QRQCRPRQSA-N 420.366 5.811 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H]2C(=O)c2ccccc2)N1 587818215 CSTVFLCSPCXCLB-QTPGKHNVSA-N 402.307 5.001 0 1 HKAF CCCCCOc1cc2nc([C@@H]3CC[C@@H](C(C)(C)C)C3)[nH]c2cc1Br 587969306 LJRCGWHIBKMAPN-HUUCEWRRSA-N 407.396 6.824 0 1 HKAF Cc1sc2c(c1C)CCN[C@@H]2c1cccc(Oc2cc(Cl)cc(Cl)c2)c1 963005125 DBGARRCPJHJWEZ-HXUWFJFHSA-N 404.362 6.699 0 1 HKAF CN1CCc2c(Br)cccc2[C@H]1[C@H](c1ccccc1)c1ccc(F)cc1 963289639 PRMDQJKYMLFXAM-PKTZIBPZSA-N 410.330 5.949 0 1 HKAF C[C@H]1c2ccccc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)OCc1ccccc1 1772601891 IISKPGDTZKNEGX-RTWAWAEBSA-N 400.522 5.795 0 1 HKAF CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]([C@H](C)[C@@H](O)CCC(C)C)[C@@]4(C)CC[C@@H]32)C1 2356585832 DNOWADDTTWTLLY-JWJRZTHOSA-N 416.690 7.014 0 1 HKAF CC(=CCCC(=CC(=O)O)C(=O)O)CCC=C(C)CC[C@H]1[C@H](C)C(=O)CCC1(C)C 2356792969 KDHQVPXRPYDYFP-FPOVZHCZSA-N 418.574 5.957 0 1 HKAF CO[C@@H]1CC2=C3C=C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=C(C)C=C[C@H](C)C(C)C 2356803774 XKDCJECDMZNERE-WTTPERERSA-N 424.669 7.020 0 1 HKAF FC(F)(F)c1cc(CN[C@H]2CCC23CCC(c2ccccc2)CC3)ccc1Cl 205707760 MWWMZLKKNPPTKW-QUENFVSXSA-N 407.907 6.955 0 3 HKAF CC(C)=CCc1c(-c2ccc(O)cc2O)oc2cc3c(c(O)c2c1=O)CCC(C)(C)O3 1653273 QLIUUAVXEZLWRV-UHFFFAOYSA-N 422.477 5.189 0 1 HKAF biogenic COc1cc(O)c2c(=O)c(-c3cccc(Cl)c3)cn(CCc3ccccc3)c2c1 2002904 YEELQJLZRMCLAG-UHFFFAOYSA-N 405.881 5.279 0 1 HKAF COc1cc(OC)c(-c2c(C)cc(OC)c3c(OC)cccc23)c2c1C(C)=N[C@H](C)C2 13359245 XSHYHGPIMCKDFK-OAHLLOKOSA-N 419.521 5.603 0 1 HKAF biogenic CCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO 13679518 ITLCTBDDFRBMKO-ACKVAEFOSA-N 417.678 7.045 0 1 HKAF CC(C)c1cccc(C(C)C)c1NS(=O)(=O)NCC1(c2ccccc2)CCCC1 13833505 RGISTELSUUVJKI-UHFFFAOYSA-N 414.615 5.692 0 1 HKAF COc1ccc(/C=C/c2cc(OC)cc(OC)c2CNCc2ccc(F)cc2)cc1 28653229 ORKNMPKKNXPAMD-RUDMXATFSA-N 407.485 5.312 0 1 HKAF CCS(=O)(=O)Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 34802019 HSBQQKLIJIUDFS-UHFFFAOYSA-N 418.522 5.052 0 1 HKAF O=C(O)c1c(O)c(Cc2ccc(OC(F)(F)F)cc2)nc2c3c(ccc12)CCCC3 35087207 GBBFPIDWCGINSI-UHFFFAOYSA-N 417.383 5.007 0 1 HKAF CC[C@H]1C[C@@H]2NC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@@H](C)CCCC(C)C)[C@H]12 36189478 MASOXJRADXYGSF-GNYWTKFVSA-N 415.706 7.222 0 1 HKAF COc1ccc([C@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C2)cc1OC1CCCC1 38630005 QQTHZCDOZGBKAO-INIZCTEOSA-N 419.443 5.556 0 1 HKAF CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2Nc1cccc(OC)c1 40412974 SFCUYXXFEDZGAP-QFIPXVFZSA-N 416.565 6.380 0 1 HKAF CCCCc1ccc(-c2ccc3c4c([nH]c3c2)-c2ccc(C(=O)O)cc2CCC4)cc1 40972778 VKNGMZDVWUHVFQ-UHFFFAOYSA-N 409.529 7.031 0 1 HKAF O=C(Nc1ccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)cc1)c1ccncc1 45323871 PKRVSMNCDHJOGB-UHFFFAOYSA-N 408.436 5.683 0 1 HKAF COc1ccccc1C(=O)Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 49112148 WFXCDQBQHWXIRC-UHFFFAOYSA-N 404.510 5.102 0 1 HKAF Fc1cccc(-c2nc(Nc3ccccc3Br)c3cc(F)ccc3n2)c1 72113090 OBJPRSBZRCZCHI-UHFFFAOYSA-N 412.237 6.081 0 1 HKAF COc1ccc(-c2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)cc1OC 73292178 XYSHBXQMXLCDKN-UHFFFAOYSA-N 406.485 6.581 0 1 HKAF CCCCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCc3ccccc3)ncnc21 82178250 REGLCNZXJXMUSA-UHFFFAOYSA-N 417.513 5.010 0 1 HKAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3ccc(Cc4ccccc4)cc3CC[C@@H]21 100620945 JPGRNXNEBBVHOR-IAPPQJPRSA-N 420.556 5.870 0 1 HKAF CC[C@@H](C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc(C)o1 100703552 COEQXPGBKDYXTQ-PXAZEXFGSA-N 413.543 5.824 0 1 HKAF COC(=O)[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccc(SC)cc2)s1 100969841 DKEAXYAQHUXDHX-XVLFTWDQSA-N 411.592 5.176 0 1 HKAF CCCCC(=C(c1ccccc1)c1ccccc1)c1ccc([S@](C)(=O)=NC#N)cc1 103023300 OZKXAKVBSKAJOZ-PMERELPUSA-N 414.574 6.774 0 1 HKAF Clc1nc(Nc2ccccc2)nc(Nc2ccc(-c3nc4ccccc4o3)cc2)n1 103167150 QTZHGOKJFZJJOR-UHFFFAOYSA-N 414.856 5.820 0 1 HKAF CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2ncc(-c3ccc(Cl)cc3)s2)C1 103181086 WOQFLYRICKIROD-UHFFFAOYSA-N 408.954 6.015 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1[C@H](C)c1ccc(OC(F)(F)F)cc1 103270571 HJVDPZHVBGLZSD-RHSMWYFYSA-N 423.431 5.417 0 1 HKAF CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2sccc2C)C2=C(O)CC(C)(C)CC2=N1 104006905 SDZBXLWPUFGGGL-OAQYLSRUSA-N 424.541 6.279 0 1 HKAF COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4cccc(O)c4)C3=C(O)C2)cc1 104690440 VCUWGAPNNKGXDP-WXTAPIANSA-N 412.489 6.030 0 1 HKAF OC1(c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CCOCC1 143204046 OQPOPHADMDSDGJ-UHFFFAOYSA-N 419.506 5.225 0 1 HKAF O=C(c1cnccc1Oc1ccc2ccoc2c1)N1CCN(C2CC2)c2ccccc21 169349696 FKSIHABGGOIYDY-UHFFFAOYSA-N 411.461 5.249 0 1 HKAF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2c1cc(C(F)(F)F)[nH]n1 195317941 VDGOOKRFIJJCSX-BNVFHRSZSA-N 410.524 5.916 0 1 HKAF CCSCCCCN[C@@H](CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1 219094287 KGBHSFUSFKIYPF-FQEVSTJZSA-N 402.475 6.953 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCO[C@@]1(C)CCc2cc(O)cc(C)c2O1 238739720 BTNBMQIHCRIGOU-LDYBVBFYSA-N 412.614 7.568 0 1 HKAF C[C@@H]1Oc2c(c3c(c4oc(=O)cc(-c5ccccc5)c24)C=CC(C)(C)O3)[C@H](O)[C@@H]1C 238787409 KZWMARGPANIIPZ-HKZYLEAXSA-N 404.462 5.095 0 1 HKAF CC(C)=CCC[C@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3 299809304 OMKJDABLEGUPIE-UQYGGRIZSA-N 424.713 8.687 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(O[C@@H](C)C(=O)O)cc4)nc13)-c1ccccc1C2=O 587097556 QWORARQWFDUEGF-HNNXBMFYSA-N 409.441 5.274 0 1 HKAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(Oc4ccccc4)cc3[nH]2)C(F)(F)C1 587132081 JBYUPQXTSHRBKB-INIZCTEOSA-N 415.440 5.325 0 1 HKAF Cc1ccc2c(ccc3nc([C@@H](c4ccccc4)N(C)C(=O)OC(C)(C)C)[nH]c32)n1 587189609 BSSUYCNWJNAAKO-OAQYLSRUSA-N 402.498 5.376 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 587195933 PGEJVNPCGWXVEP-UHFFFAOYSA-N 423.410 6.068 0 1 HKAF CCOC(=O)C1=C(C)NC2=C(c3nc4cccc5c4c(c3CC2)CC5)[C@H]1c1ccccc1 587211023 BDSPOEVJCZMARQ-VWLOTQADSA-N 422.528 5.215 0 1 HKAF CC[C@]1(C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326749 CSNYQGVURPXZQL-RDJZCZTQSA-N 404.306 5.237 0 1 HKAF C[C@]1(c2cc(F)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331520 HOLZDTWTFIWHNI-IFMALSPDSA-N 400.808 5.598 0 1 HKAF C[C@]1(c2cccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338303 WOBIKRTVJSTLLL-SIKLNZKXSA-N 400.808 5.598 0 1 HKAF COc1cccc([C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587347583 FIMNTMOXSYPNBO-UKILVPOCSA-N 404.437 5.204 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3ccc(C(F)(F)F)cc3)c1O)O2 587381697 JSUOTTGYSINFRI-HXUWFJFHSA-N 413.395 5.675 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3c4c(c1O)C(C)(C)CCN4CCC3(C)C)O2 587396214 YAHLZRVEWSXUFF-FQEVSTJZSA-N 420.553 5.158 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3nc(-c4ccc(Cl)cc4)sc31)O2 587415834 YTZROPXQHPLSDV-QFIPXVFZSA-N 410.926 5.551 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1sc(Nc4ccc(C)cc4)nc1Cl)[C@@H](C2)C3=O 587453736 YTVULQUREKKVBW-KSSFIOAISA-N 412.898 5.346 0 1 HKAF CCc1ccc([C@@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587506748 OLVITKXPCJWZEJ-HHHXNRCGSA-N 416.948 6.690 0 1 HKAF Cc1nn(Cc2ccc(F)cc2)c(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587509200 QSAZFOGXQHTADH-OAQYLSRUSA-N 424.903 5.618 0 1 HKAF O=C1C[C@H](c2ccc(SCc3ccccc3)cc2)Oc2c1ccc1c2CCCC1 587531256 GZFOOPKWIIMXDQ-RUZDIDTESA-N 400.543 6.564 0 1 HKAF C[C@@]1(c2ccc(C(F)(F)F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549857 SCFGCDAHRXADNT-NQIIRXRSSA-N 418.342 5.427 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CF)c1ccc(C(F)(F)F)cc1 587550182 UFIQPDKGEDHFOA-GHTZIAJQSA-N 418.342 5.238 0 1 HKAF Oc1nc(O)c2ccc(-c3cccc(-c4cccc(OCc5ccccc5)c4)c3)nc2n1 587558587 AUUCBRQUVMQUJB-UHFFFAOYSA-N 421.456 5.349 0 1 HKAF CC(C)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587580402 XQFNAMAXVWXRPB-OZXSUGGESA-N 413.473 5.706 0 1 HKAF Cc1cc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1C=O 587602372 JQZPRKULZOZHLK-DHLKQENFSA-N 402.446 5.007 0 1 HKAF Cc1cc(C)c2c(c1)[C@@]1(CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606111 BHZDJBOKFAPCEX-PXDATVDWSA-N 402.446 5.039 0 1 HKAF C[C@@]1(c2cc(Br)cs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610784 DWEKEXVLCPQKPM-LPHOPBHVSA-N 417.280 5.093 0 1 HKAF Cc1cc2c(cc1C)[C@@]1(CCS2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615989 AMPSXPKVARTJEM-ZJSXRUAMSA-N 404.487 5.362 0 1 HKAF CCOC(=O)c1ncn(-c2c(-c3ccc(Cl)cc3)[nH]c3c(C)cc(Cl)cc23)n1 587624840 UXPZKQMGAUKZND-UHFFFAOYSA-N 415.280 5.208 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)cc2F)N1 587710395 GBDZZPPYKWORCM-VVVCHXIZSA-N 420.219 5.544 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc(C(F)(F)F)cc2F)N1 587715255 XQJXFCPDDQBEDH-QZTNRIJFSA-N 424.182 5.509 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(OC(F)(F)F)c2)N1 587718617 JBSYYPMWNKZQSZ-VPTHRUTESA-N 422.191 5.250 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2c2ccccc2n3C)N1 587753239 AMRJBYYLPUEDJG-MCMMXHMISA-N 413.334 5.194 0 1 HKAF COc1cccc(OCc2ccc(-c3nc4c(C(F)(F)F)cc(F)cc4[nH]3)cc2)c1 587781339 UCBWIMZAUUFPNN-UHFFFAOYSA-N 416.374 5.975 0 1 HKAF CCCCC[C@H](C(=O)OCC)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587798490 ONTGVOIGXHIQJG-RCDCFZSISA-N 414.359 5.097 0 1 HKAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12 587807974 MJYPXMPXOKBLNE-GTJPDFRWSA-N 400.291 5.374 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1cccc(Cl)c1 587858144 YGSGEDKAPZMTKW-UHFFFAOYSA-N 409.700 5.792 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sc2ccccc2c1Cl 587871758 BDWJOPZKWDZOJU-UHFFFAOYSA-N 400.862 5.645 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1csc(C)c1-c1ccc(C)cc1 587872563 NRECQOYLJGAQDN-UHFFFAOYSA-N 420.509 6.122 0 1 HKAF O=C(c1ccccc1OCc1ccc(F)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587873795 NAASODWMKNMRTA-UHFFFAOYSA-N 404.372 5.202 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ncc[nH]c-2n1 587958163 BESRDIPETVETNQ-XSCOUVMYSA-N 404.602 7.159 0 1 HKAF COc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)c2c(F)cccc2C[C@H]2CCCN21 963108550 TXNBERMGKZGNHM-HRFSGMKKSA-N 413.492 5.532 0 1 HKAF COc1ccc([C@H]2c3ccc(F)cc3C[C@H]3CCCN23)cc1COCC(F)(F)F 963115450 WYGNIWMDXZQBHP-NQIIRXRSSA-N 409.423 5.023 0 1 HKAF CC[C@@H](C)[C@]1(C)c2cc(O)ccc2CCN1c1nc(Cl)nc2c1ncn2C(C)C 963917454 WBRIRGUXKKFEFX-JLCFBVMHSA-N 413.953 5.090 0 1 HKAF Cc1cccc([C@@H](C)N=c2[nH]c(C)nc3c(C)cc(C4CCN(C(C)C)CC4)cc23)c1 1857551327 OMMMBYUOPSQKRA-HXUWFJFHSA-N 416.613 5.738 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NS(C)(=O)=O 1857566855 CHLIYGBQSFMCMP-JDPCYWKWSA-N 405.604 5.540 0 1 HKAF CCN(CC)S(=O)(=O)c1ccc(/C=C/c2nc3cc(Cl)ccc3s2)cc1 1857650168 YXWORKAWBWITGQ-KPKJPENVSA-N 406.960 5.151 0 1 HKAF c1ccc(Nc2cccc(OCCCNCc3ccc(-c4ccccc4)cc3)c2)cc1 1911571761 VNTSYKJVYBAMLJ-UHFFFAOYSA-N 408.545 6.656 0 1 HKAF CO[C@@H]1CC[C@]2(C)C(=CC=C3[C@@H]2CC[C@]2(C)[C@@H]3CC[C@@H]2[C@H](C)C=C[C@@H](C)C(C)C)C1 2356313027 RAUIRVMOPWSUHY-BBCWQJKTSA-N 410.686 7.985 0 1 HKAF CCCCCC=CCC=CCCCCCCCC(=O)NCC(=O)c1ccc(O)cc1 2356488967 FHGZNIDQJQMEQT-UHFFFAOYSA-N 413.602 6.505 0 1 HKAF CO[C@@H]1C=C(C)[C@]2(C)CC[C@H](C)[C@](C)(CCC(=CCOC(C)=O)COC(C)=O)[C@H]2C1 2356559905 PHTFVFDGQMBALN-PIOWIHJBSA-N 420.590 5.243 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)[C@H](C)[C@H]1C(=O)C3 2356668808 CALSSZVDBCEOTA-YQPXEJBSSA-N 424.669 7.476 0 1 HKAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2C[C@H](O)[C@@H]2[C@H](C(C)=O)CC[C@]23C)C1(C)C 2356673409 MLAAWJXDCTXSPC-SINUEYNISA-N 418.618 5.163 0 1 HKAF C[C@@]1(Cc2cc(Cl)ccc2C(F)(F)F)C(=O)Nc2ccc(OC(F)(F)F)cc21 61926255 CRRLMMCAYJNGGD-INIZCTEOSA-N 423.740 5.710 0 3 HKAF CCc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccoc2)cc1 775366 NAOXNSIRQCGYLQ-UHFFFAOYSA-N 404.441 5.276 0 1 HKAF COc1ccc(Br)cc1-c1onc(C(C)(C)C)c1C(=O)NCCC(C)C 776302 REVWEWKIQQZQNG-UHFFFAOYSA-N 423.351 5.186 0 1 HKAF O=c1[nH]c2ccc(N(Cc3ccccc3)Cc3ccccc3)nc2nc1-c1ccccc1 2499725 NCEOJJXQXXTGBD-UHFFFAOYSA-N 418.500 5.192 0 1 HKAF CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214632 BZCDRGDJCUQWJB-VZVHPENPSA-N 422.569 5.273 0 1 HKAF COc1cc2c(c(OC)c1-c1c(C)cc(O)c3c(OC)cccc13)[C@@H](C)N[C@H](C)C2 13359059 YTAPXHUNYHTRNM-HUUCEWRRSA-N 407.510 5.142 0 1 HKAF biogenic Nc1cccc(C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)c1 13741224 BFZAPHQNEMKJIT-AREMUKBSSA-N 406.529 5.501 0 1 HKAF CC[C@@H](C)C(=O)c1c(O)c2c(-c3ccccc3)cc(=O)oc2c2cc(C(C)(C)O)oc12 14616136 LPGFEBXRFJLODR-CYBMUJFWSA-N 420.461 5.368 0 1 HKAF biogenic CC(C)=CCc1cc([C@H]2CC(=O)c3c(cc4c(c3O)C=CC(C)(C)O4)O2)ccc1O 14637341 PUUPPHKALYHDRS-HXUWFJFHSA-N 406.478 5.497 0 1 HKAF biogenic CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)c(C2CCCC2)c1 28863752 ZLINZFMTCNLRQT-UKTHLTGXSA-N 405.538 6.065 0 1 HKAF O=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1ccc(-c2cccc(C(F)(F)F)c2)o1 34817118 LVSLNMOADOFLKW-FOIQADDNSA-N 403.787 5.996 0 1 HKAF CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4CC[C@@H](CCC(=O)O)N4)cc3)no2)cc1 36178493 QEBXXPLHWMZIKW-FCHUYYIVSA-N 419.525 5.260 0 1 HKAF O=C(O)c1ccc2cc(-c3ccc(O)c([C@@H]4CC[C@@H]5CCCC[C@H]5C4)c3)ccc2c1 40863367 KSIXWQINPZPMLI-IUKKYPGJSA-N 400.518 6.985 0 1 HKAF Cc1ccc(O)cc1CC[C@H]1[C@@H]2C[C@H](O)[C@H]([C@H](C)CCCC(C)C)[C@@]2(C)CC[C@H]1O 40873362 XXLLTYLTCDARFZ-OHSNSYSLSA-N 416.646 5.870 0 1 HKAF CC(=O)Nc1cccc(C(C)(C)c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)c1 40913724 GMHDPRHDMOFAGT-FGZHOGPDSA-N 419.565 6.287 0 1 HKAF COc1cc(O)cc(O)c1C(=O)[C@@H]1[C@@H](CC=C(C)C)C(C)=CC[C@H]1c1ccccc1 59264298 DIHCGASLQARQMP-AWRGLXIESA-N 406.522 6.012 0 1 HKAF biogenic CCOC(=O)C(C)(C)C1=C/C(=C\c2cc(-c3ccc(C)cc3)on2)c2ccc(F)cc21 84669741 NYRXORVSSBBHEJ-LDADJPATSA-N 417.480 6.316 0 1 HKAF C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 95601520 QCNXGTHMVPSAAC-INIZCTEOSA-N 409.445 5.449 0 1 HKAF in-vitro O=C(/C=C/c1ccc(Cl)cc1)Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12 96922656 UHUCGFUTBXJCPG-JXMROGBWSA-N 422.897 5.120 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2n1cnc2c(Cl)ncnc21 96927797 KBBMCGWUTVUVHG-BCGAWERHSA-N 424.976 5.254 0 1 HKAF CC(C)CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccncc1 100703541 NENJNOOVBBHNLT-KRWDZBQOSA-N 424.570 5.566 0 1 HKAF O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1CCc1ccc(Cl)cc1 103253509 YNMJWOGLJXHUBN-UHFFFAOYSA-N 401.318 5.675 0 1 HKAF COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccsc4)C3=C(O)C2)cc1 103940365 IRSNEXHJQIEMBX-MZNJEOGPSA-N 402.519 6.386 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2cc(F)ccc2F)C[C@@H](c2cccs2)C1 104049872 HNQGGHWJKLMDBA-ZLOXQWCVSA-N 408.473 6.655 0 1 HKAF COc1cc(C)c2c(c1C)CC[C@@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O2 141025956 MTGHTKWQBDGLJZ-NSSGLZPOSA-N 424.669 8.595 0 1 HKAF COc1ccc(-c2ccc3nc(-c4ccco4)cc(C(=O)Nc4cccnc4)c3c2)cc1 150130817 WSSPOXITXVJRBZ-UHFFFAOYSA-N 421.456 5.818 0 1 HKAF O=C1C[C@H](O)CCCCCCCCCCCCCCCCCCCCCCCO1 196412016 DTQKFJLZSISQHB-RUZDIDTESA-N 410.683 7.876 0 1 HKAF CC(C)=CC(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@H](CC[C@@H](C)CC(=O)O)[C@@](C)(O)CC[C@H]12 238739666 ZQCLFYPJCVYMSK-FMXHBDNISA-N 422.606 5.361 0 1 HKAF C[C@H](CN1CCCC[C@H]1CC1CCCCC1)c1cccc([C@](C)(O)c2ccccc2)c1 253634528 PNDZVDCEOHUNSU-LDVROUIZSA-N 419.653 6.871 0 1 HKAF CCCCc1cc(-c2ccc(OC)cc2)cc(C(=O)NC2CCCCCC2)c1OC 299855007 AUWUESCHMQVOMB-UHFFFAOYSA-N 409.570 6.166 0 1 HKAF CC(=O)OCc1c(C2CCCCC2)oc2ccc(NCc3ccccc3)cc2c1=O 299863576 LDBVWKVDNGAHER-UHFFFAOYSA-N 405.494 5.516 0 1 HKAF CC/C=C\C[C@@H]1c2nc3ccc(O)c4c3c(c2C[C@H]1CC(=O)O)-c1ccccc1C4=O 586989731 DGQKTEMAWMCFNJ-CGXNLCPXSA-N 413.473 5.239 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(Br)nc2[nH]1 587014876 SDXSTEAHRGRUFQ-UHFFFAOYSA-N 405.708 5.473 0 1 HKAF Cc1cc(Cl)cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 587027446 QXXLKMLTDGPQME-LZQZEXGQSA-N 413.974 5.661 0 1 HKAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(Cl)cc3[nH]2)c1 587047852 ARSIVORYXDHJAN-HJWRWDBZSA-N 417.296 5.260 0 1 HKAF CC(C)COc1cc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2cc1Br 587056665 KMVKQEHITKIOEW-OAHLLOKOSA-N 422.754 5.256 0 1 HKAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(F)c(F)c2[nH]1 587121402 BEDOCWFCNUPSNN-UHFFFAOYSA-N 411.355 5.839 0 1 HKAF CCOc1cc(/C=C\c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)ccc1OC(F)F 587129080 BPTHVNRILIZXET-XQRVVYSFSA-N 416.321 5.891 0 1 HKAF Fc1ccc2[nH]c(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c(Cl)c2c1 587174025 CGVGXQRDGCVWTG-UHFFFAOYSA-N 418.884 6.780 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C(C)(C)C 587202880 CCPNNWYWPGWICX-AWEZNQCLSA-N 403.420 5.203 0 1 HKAF Cc1nc(Nc2cccnc2)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208617 WFAZXXDAIBEESO-UHFFFAOYSA-N 420.497 6.017 0 1 HKAF CSc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F 587330841 IOBJDNRVVLAHEA-GGAORHGYSA-N 412.457 5.667 0 1 HKAF Cc1nc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2o1 587348295 RFIGHHCQBCVDCG-QPPBQGQZSA-N 403.409 5.255 0 1 HKAF Cc1ccc(C[C@@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587355050 POLLHRKUWKYWLF-AHWVRZQESA-N 404.481 5.836 0 1 HKAF C[C@]1(c2cc3c(s2)CCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587374701 PRIMULBHEAULFL-LADGPHEKSA-N 408.494 5.746 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Br)c(C(F)(F)F)c1)O2 587381099 FOQKINGPGNITEA-QGZVFWFLSA-N 414.221 5.239 0 1 HKAF CCOC(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399162 IQHZRMDJVNOPJA-FNZWTVRRSA-N 423.553 5.021 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccc(OCc4ccc(Cl)cc4)c1)[C@@H](C2)C3=O 587420944 KGEVAGUESAWOTL-GBXCKJPGSA-N 406.865 5.416 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2C[C@H]3C[C@@H]1C[C@@](Br)(C3)C2 587455370 BCLKIBGGBABTPY-XMWAUMHUSA-N 405.332 5.022 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc(Nc3ccc(F)cc3)s1)CC2=O 587473121 XKGKKQBNCFCGQK-QFIPXVFZSA-N 412.486 5.565 0 1 HKAF O=C1C[C@@H](c2ccc(-c3ccc(Cl)c(F)c3)cc2)Oc2c1ccc1c2CCCC1 587506073 OPPJFZPQXHGWBR-DEOSSOPVSA-N 406.884 6.731 0 1 HKAF CC[C@@]1(c2cc(F)cc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587506397 RVMBNRBDPXXIKA-NRFANRHFSA-N 403.291 5.738 0 1 HKAF C[C@@]1(c2cccc(NC(=O)c3cccnc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587511383 KBGLODOJCRKRRQ-SANMLTNESA-N 412.489 5.093 0 1 HKAF Cc1ccc(C)c(-c2cc3ccccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587518321 FHYPIZBPBFXHRQ-MHZLTWQESA-N 421.540 6.808 0 1 HKAF CCC(C)(C)c1ccc(OCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 587564629 NEAZBVHHQATQPC-UHFFFAOYSA-N 417.303 5.290 0 1 HKAF CCCOc1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587595149 JECFOVDZHWEYIQ-SQJMNOBHSA-N 404.462 5.501 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1Oc1cc(O)ccc12 587606192 CDHGKNNDQMOXIY-BVAGGSTKSA-N 424.408 5.109 0 1 HKAF CCOc1ccccc1OCc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587779960 KLQDGYQEOIOECX-UHFFFAOYSA-N 419.319 5.338 0 1 HKAF CCCCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587790014 DQRZQKXIIPWVHP-ZSEKCTLFSA-N 422.338 5.399 0 1 HKAF CC[C@@H]1c2cc(OC)ccc2CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587807274 KPYCRUZOVZNUCZ-XJDIIYGHSA-N 418.350 5.466 0 1 HKAF CC(=O)C[C@]1(c2c(C)cc(C)cc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587812947 MDGQQNYPZNZDRE-IVZQSRNASA-N 418.350 5.270 0 1 HKAF CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1cccc(Br)c1N 587936825 LJZJKBPYIQSYNA-UHFFFAOYSA-N 415.331 5.296 0 1 HKAF CN(C)[C@@H](Cn1c(O)cc(C2CCCCC2)c1O)c1cccc(Br)c1 587939707 KNIYKYBJRFXNCB-SFHVURJKSA-N 407.352 5.012 0 1 HKAF CSc1ccc(-c2ccc(C)n2-c2cc(C(=O)O)ncc2Br)cc1 587940641 JUVXOCLMJMZCNY-UHFFFAOYSA-N 403.301 5.030 0 1 HKAF Cc1ccccc1C(C)(C)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587955696 UEXNWPYUYANLQP-UHFFFAOYSA-N 413.237 5.858 0 1 HKAF FC(F)(F)c1ccc(-c2nnc(/C=C/c3ccc(Br)s3)o2)cc1 653808405 PMSCRUQDRYJSKK-SOFGYWHQSA-N 401.207 5.750 0 1 HKAF COc1ccc2c(c1)[C@@](C)(CCc1cccc(Br)c1)N(C(C)C)CC2 962093825 TWKQILNEWFNIOD-JOCHJYFZSA-N 402.376 5.572 0 1 HKAF C[C@H](CC(=O)O)[C@@]1(c2ccc(Cl)cc2)NCCc2cccc(-c3ccccc3)c21 962672231 WEKUBWWKOXHVBU-NSYGIPOTSA-N 405.925 5.507 0 1 HKAF Cc1ccc(C(C)C)c2c1[C@@]1(CCO2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962699403 HOYAELHPGVWOLW-IQGLISFBSA-N 411.586 5.647 0 1 HKAF CCOc1ccccc1-n1cccc1[C@@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962703545 NBSDPZCRBIQXHE-BVZFJXPGSA-N 422.569 5.468 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CC(=O)C[C@H](c3ccc(C(C)C)cc3)C2)N1 962947585 CBIXNWKBRKXIQE-FYQCMVGJSA-N 400.566 5.948 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1c[nH]c2cc(Br)c(Cl)cc12 963118146 YYTFBHGMBHFHHK-RBZFPXEDSA-N 419.725 5.833 0 1 HKAF Cc1cc(C)cc([C@@]2(c3ccc(Br)cc3)NCCc3ccc(O)cc32)c1 963329542 OGZPPDFWEINWDT-HSZRJFAPSA-N 408.339 5.209 0 1 HKAF Cc1ncccc1COc1c(Cl)cc(CCCCC2CCN(C)CC2)cc1Cl 1772647317 YIKSIRONRWYKAF-UHFFFAOYSA-N 421.412 6.330 0 1 HKAF CCCCCc1ccc(C(=O)Nc2nc3ccc(C)cn3c2C(=O)NCCCC)cc1 1857593619 TZNHNZQBIOEVSB-UHFFFAOYSA-N 420.557 5.158 0 1 HKAF CCCCCn1cc(C(=O)c2cccc3ccccc23)c2cc(Br)ccc21 1857595489 UNEKBGOEBJFLPZ-UHFFFAOYSA-N 420.350 6.978 0 1 HKAF Cc1c(C(=O)c2c(Cl)cccc2Cl)c2ccccc2n1-c1ccc(C(=O)O)cc1 1857618691 WUVQZKTVNKAOPM-UHFFFAOYSA-N 424.283 6.175 0 1 HKAF CC1(C)CCC[C@@]2(C)Oc3c(O)ccc(CCC(=O)c4ccc(O)cc4O)c3C[C@@H]12 2356337446 VPGBLFFVUJEHRV-WIOPSUGQSA-N 410.510 5.139 0 1 HKAF CC1=C[C@@H]2c3cc([C@@H]4CC(=O)c5c(O)cc(O)cc5O4)c(O)cc3OC(C)(C)[C@H]2CC1 2356396554 OFLLWFQGLTWNOR-FNXXIHLHSA-N 422.477 5.121 0 1 HKAF CC(C=CC=C(C)C[C@@H]1OC(=O)C(C)=C1O)=CCCc1coc(Cc2ccoc2)c1 2356474522 VWLBUSPIDVXPRA-QHCPKHFHSA-N 408.494 5.992 0 1 HKAF C[C@H]1CC[C@]2(NC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5CC(O)=CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 2356592582 CUAMUAVAAWICIQ-AWVRQOIUSA-N 413.646 6.058 0 1 HKAF CC(C)=CCC[C@@]1(C)Oc2c(O)cc3oc(-c4cc(O)cc(O)c4)cc3c2C[C@@H]1O 2356629715 OJPLGFVHENPABK-LADGPHEKSA-N 410.466 5.018 0 1 HKAF CC=C(C)[C@H](O)CC=C(C)C=CCC(C)=CCc1nc(OC)c(OC)c(O)c1C 2356803723 XIYTULCDRXWIHO-OAQYLSRUSA-N 401.547 5.211 0 1 HKAF CCOC(=O)Cc1ccc(Nc2nc(NCc3cccs3)nc3ccsc23)cc1 61926009 RBXWOSBCJXXKBH-UHFFFAOYSA-N 424.551 5.214 0 3 HKAF CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1cccc2ccccc12 4153210 GRAUDNBJSQKLRC-NOZRDPDXSA-N 416.521 5.247 0 1 HKAF COc1cc(O)c(-c2c(C)cc(OC)c3c(OC)cccc23)c2c1C(C)=N[C@H](C)C2 13359239 NXPYZSTXOUQQLT-CQSZACIVSA-N 405.494 5.300 0 1 HKAF biogenic CC(=O)c1ccc(/C=C/[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)cc1 13558850 SDNCVCAZOCMWEP-XRUFYDBXSA-N 416.561 5.895 0 1 HKAF Fc1ccc(C(NCCC2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1 13780921 VGRLTUHUYGCCLF-UHFFFAOYSA-N 420.547 5.946 0 1 HKAF COc1ccc2c(c1CC=C(C)C)O[C@H]1c3ccc(O)c(CC=C(C)C)c3OC[C@@]21O 14781030 XOWMUIMFYAHWQD-IZZNHLLZSA-N 422.521 5.132 0 1 HKAF biogenic,in-vitro CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc4cc(C(=O)O)ccc4c3)c(F)cc21 26731821 CQSBJVYUEJFCQP-UHFFFAOYSA-N 404.481 6.257 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](C)C[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 26949820 XUTZDXHKQDPUMA-CYPAZGBGSA-N 415.706 7.174 0 1 HKAF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 28758431 MSACRDQFQDDJGO-VEWWAGGTSA-N 406.010 5.616 0 1 HKAF OCc1nc(-c2ccc3c(Nc4cc(O)c(F)cc4Cl)ccnc3c2)cs1 28823952 DXSBCUOFFOQDGA-UHFFFAOYSA-N 401.850 5.092 0 1 HKAF Cc1ccccc1-n1c(/C=C/c2ccccn2)nc2ccc(Br)cc2c1=O 29484371 QFVFAHJKKIFQCQ-ZRDIBKRKSA-N 418.294 5.022 0 1 HKAF COc1ccc2nc(/C=C/[C@@H]3[C@@H]4[C@@H](C)OC(=O)[C@@H]4C[C@@H]4CCCC[C@H]43)ccc2c1OC 34802811 JBQCUILLYRJGCN-BJSRAGJFSA-N 421.537 5.269 0 1 HKAF COc1ccc([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2)cc1OC1CCCC1 34820577 WKMVQOVIANTOSG-INIZCTEOSA-N 419.443 5.556 0 1 HKAF O=c1ccn2c(-c3ccc(F)cc3F)cccc2c1-c1cc(-c2nnco2)ccc1F 34984174 AUNLMMZYXXUJGF-UHFFFAOYSA-N 419.362 5.101 0 1 HKAF C/C(=C\C[n+]1cn(C)c2ncnc(N)c21)CC[C@@]1(C)C2=CCCC(C)(C)[C@@H]2CC[C@@H]1C 39181533 AGTCBVBMJBPVIF-LMIWPFHYSA-N 422.641 5.363 0 1 HKAF CC1=C(c2ncc(-c3ccccc3)o2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 45245970 KMBHULIJMNTGRT-OAQYLSRUSA-N 423.303 6.291 0 1 HKAF COc1ccccc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccccc1 58604026 JYQFJBJVYZDINM-XPNTWCBSSA-N 406.482 5.540 0 1 HKAF O=C(N[C@@H](c1ccncc1)c1ccc(Cl)c(Cl)c1)c1ccc2cnccc2c1 72180243 VUAXNOZBYICQPO-NRFANRHFSA-N 408.288 5.456 0 1 HKAF CSc1ccc([C@@H](O)c2nnc(Nc3cc(C(F)(F)F)ccc3F)s2)cc1 82082935 OJXIOTOZJLJADX-CQSZACIVSA-N 415.437 5.243 0 1 HKAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NCc3ccccc3)nc2-c2ccc(F)cc2)C1 82141043 OZPDWGYWQQSGBR-HDICACEKSA-N 418.516 5.013 0 1 HKAF CSCC[C@H](Nc1nc(-c2ccc3ccccc3c2)cs1)C(=O)NCC(C)C 82191847 BAOCPYPYXNWVMP-IBGZPJMESA-N 413.612 5.269 0 1 HKAF COc1ccc2c(OCc3nnc4c(F)cc(-c5cc(C)cs5)cn34)ccnc2c1 141077021 VNKXJZSCLSLQLW-UHFFFAOYSA-N 420.469 5.041 0 1 HKAF CC(=O)O[C@@H]1CC=C(C)[C@H](CC/C(C)=C/COc2ccc3oc(=O)ccc3c2)C1(C)C 238757641 JKNIEMKYGWMWJI-IGSLSKDWSA-N 424.537 5.822 0 1 HKAF C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@@]5(C)[C@@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 253986432 GMBQZIIUCVWOCD-YBMYHYIGSA-N 416.646 5.794 0 1 HKAF FC(F)(F)Oc1cccc(O[C@H](CC2CNC2)c2ccc(Cl)c(Cl)c2)c1 299839773 UBQLLVMEOGBWCI-QGZVFWFLSA-N 406.231 5.622 0 1 HKAF CC1(C)[C@H]2CC[C@@H](CNc3cc(Oc4ccc5oc6ccccc6c5c4)ncn3)[C@H]1C2 299882295 PLDJJORFZFHCHH-XGHQBKJUSA-N 413.521 6.653 0 1 HKAF Cc1ccc2c3c(cc(-c4c(F)cccc4N4CCOCC4)nc13)-c1ccccc1C2=O 586997398 XOLMQXDKNSSMBL-UHFFFAOYSA-N 424.475 5.397 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc4c(c3[nH]2)CCCC4)C[C@H]2CCCC[C@H]21 587024460 AHVCQELGNAXNPK-QIJUGHKUSA-N 419.594 5.578 0 1 HKAF FC(F)(F)c1c(Br)ccc2nc([C@@H]3SCCc4sccc43)[nH]c12 587036644 IIGGZHBNHVUUBK-CYBMUJFWSA-N 419.291 5.784 0 1 HKAF Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 587050686 QPVXLBVXWYLOTP-RNFRBKRXSA-N 417.521 5.952 0 1 HKAF Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 587050770 QPVXLBVXWYLOTP-RQJHMYQMSA-N 417.521 5.952 0 1 HKAF CCN1C(=O)C[C@@H](c2nc3ccc4nc(C)ccc4c3[nH]2)[C@@H]1c1ccccc1Cl 587060789 DTJYTIAGUQAXEV-ZHRRBRCNSA-N 404.901 5.150 0 1 HKAF COc1ccc([C@@H](C)c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1OC 587097228 JOTYIKDFVPYBOW-MRXNPFEDSA-N 409.485 5.924 0 1 HKAF Cc1nn(-c2ccccc2)c(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098361 QXELCQDQHCATOM-UHFFFAOYSA-N 415.496 6.224 0 1 HKAF CC(C)(C)c1ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2n1 587158193 GXCDXYGOPOPVJY-FQEVSTJZSA-N 409.892 6.216 0 1 HKAF CCCOc1cc2[nH]c(-c3ccc(-c4ccccc4N)cc3)nc2cc1Br 587249632 CVMLMFXJOPIBSX-UHFFFAOYSA-N 422.326 6.030 0 1 HKAF CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)c1coc2ccccc12 587280746 WXSZYEVTWDTMQQ-BHVWNTRMSA-N 404.594 8.761 0 1 HKAF C[C@@]1(c2cccc(-c3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351675 GVVHEAHNSJLMRO-XCZPVHLTSA-N 424.471 6.473 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCC[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 587355891 XGJADAVXYHJPHV-YQIFXUADSA-N 402.465 5.987 0 1 HKAF COc1cccc(-c2c(C)c(CNC(=O)OC(C)(C)C)nc3c2oc2ccccc23)c1 587359182 DXLPENPNDNDBBC-UHFFFAOYSA-N 418.493 5.990 0 1 HKAF CCCCCCc1c(C(=O)O)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587367775 VGMCJMMNLZOGQP-UHFFFAOYSA-N 403.478 6.478 0 1 HKAF COc1cc2c3c(c1)O[C@]1(CCC(C)(C)c4ccc(Br)cc41)[C@@H](C2)C3=O 587417908 NHEPRJOKFZEKST-JTSKRJEESA-N 413.311 5.172 0 1 HKAF O=C1C[C@H](c2cc(I)ccc2F)Oc2c1ccc1c2CCCC1 587507691 RUQZOAHMTSVSLO-GOSISDBHSA-N 422.237 5.016 0 1 HKAF CC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541242 FCLLVNGDWKZGQP-UGKGYDQZSA-N 415.272 5.966 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc2cccnc12 587552551 SHJIBJQZKUDSOC-CVDCTZTESA-N 403.821 5.297 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cc(Cl)ncc3c2)N1 587702718 FDGZJPWGOQTTCN-DGIBIBHMSA-N 405.698 5.413 0 1 HKAF Cc1cccc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc12 587707148 UHKCVQUIDQHBMZ-NSPYISDASA-N 419.725 5.722 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)c(F)cc2Cl)N1 587718756 ODDJYYQJQIBMAX-WNWIJWBNSA-N 404.657 5.318 0 1 HKAF Cc1onc(-c2ccc(F)cc2)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587729063 BSFIMJQMNHXFNI-SBKAZYGRSA-N 419.269 5.314 0 1 HKAF Cc1ccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587742322 QRYMINDJBPHHIM-NWWMYVBRSA-N 417.366 5.058 0 1 HKAF Cc1cc(C)n(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)n1 587764775 QUVXMYUMFGKZSN-QKVFXAPYSA-N 414.322 5.014 0 1 HKAF Cc1ccc(-c2cnc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1C 587776544 XVAMIZTWWUXMHU-ZUOKHONESA-N 415.306 5.484 0 1 HKAF Brc1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cn1 587784962 WSMTWDMYSYTCSU-DHZHZOJOSA-N 406.283 5.470 0 1 HKAF Cc1onc(-c2ccccc2)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587794374 MEXMCDNKEOGLPG-PRWKNARSSA-N 401.279 5.175 0 1 HKAF CCCc1ccc(OCC)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587801575 LTRJPMKODIFTEH-YEJXKQKISA-N 406.339 5.563 0 1 HKAF Cc1cc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C=O 587816311 WGZJJTCGSJAWPZ-ASSNKEHSSA-N 404.323 5.124 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 587821217 TYXASJANKTURTP-WNSKOXEYSA-N 410.330 6.187 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2sc2ccccc32)N1 587857627 LZFAFLFTLPIMGY-LAJNKCICSA-N 416.359 5.917 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=N)c1ccc2ccccc2n1 587859555 ZQRGLFATUSUDRM-UHFFFAOYSA-N 411.292 5.677 0 1 HKAF COc1ccc(CCCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1OC 587925402 OHMKWJMNKLQZCI-UHFFFAOYSA-N 414.811 5.307 0 1 HKAF COc1ccc2cc([C@@H](C)c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)ccc2c1 587934241 GCNGUXWVGQLUIA-LLVKDONJSA-N 404.819 6.549 0 1 HKAF COc1cc(-c2nc3sc(C4CC4)nn3c2-c2ccccc2)cc(OC)c1OC 653769921 GTCWVXDRUOUIMS-UHFFFAOYSA-N 407.495 5.028 0 1 HKAF CCCCOc1cc(F)c([C@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c(F)c1 962615975 AULGRHBBXNZJGW-JLCFBVMHSA-N 405.485 5.127 0 1 HKAF COc1ccc2c(c1OC)[C@@]1(CC3(CCCCC3)Oc3cc(O)ccc31)N(C)[C@H](C)C2 962626800 NYENCWUIURKDNS-QUGAMOGWSA-N 423.553 5.015 0 1 HKAF O=C(O)CCCC[C@]1(c2cccc(Cl)c2)NCCc2cccc(-c3ccccc3)c21 962668756 XYDZFFGWCBHCDO-AREMUKBSSA-N 419.952 6.041 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCc2cc(C)cc(C)c2)(c2ccccc2C)N1 962951583 UEQVULTWRKSFIP-HLADLETHSA-N 422.616 6.894 0 1 HKAF CCO[C@@H]1C[C@]2(NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)C12CCCCC2 962959867 RBUYHGBBUIQEFZ-NFBKMPQASA-N 423.519 5.311 0 1 HKAF O=C(C[C@]1(c2ccc(F)cc2)NCCc2c(Cl)cc(Cl)cc21)C(F)(F)F 963102899 GJFITRUMFJUWKF-QGZVFWFLSA-N 406.206 5.043 0 1 HKAF COc1ccccc1CC[C@]1(c2c(C)cccc2C)NCCc2c(C(=O)O)cccc21 963124496 RCIFDBYATUFIAK-MHZLTWQESA-N 415.533 5.032 0 1 HKAF Cc1[nH]nc2ccc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3-c3ccccc3)cc12 1772570974 RZAIWUITRQUFPP-SANMLTNESA-N 420.516 5.746 0 1 HKAF Cc1cc(Nc2cc(Cl)cc(-c3ccc(Cl)c(C(F)(F)F)c3)c2)nc(N)n1 1772622582 KMGHEMILURICPO-UHFFFAOYSA-N 413.230 6.103 0 1 HKAF CCCCCc1ccc(/C=C(\C)Cn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1 1772656832 ZUKCFJUFGALRIF-CAPFRKAQSA-N 420.605 5.375 0 1 HKAF CC1(C)CC(C)(C)c2cc(NC(=S)Nc3ccc4c(c3)CCCC4)ccc2S1 1857545587 GCDYYWLEKYAAPG-UHFFFAOYSA-N 410.652 6.926 0 1 HKAF N[C@H](Cc1ccccc1)c1csc(NC(=O)Nc2ccccc2-c2ccccc2)n1 1857599123 OVJKXJJOVRDFIP-HXUWFJFHSA-N 414.534 5.697 0 1 HKAF Oc1nc(SCc2cccc(Cl)c2)nc(SCc2c(F)cccc2F)n1 1857619476 MEAVNOFAFWNMQN-UHFFFAOYSA-N 411.886 5.093 0 1 HKAF C[C@@H]1CC[C@]2(C)[C@H](C)CC[C@H]3O[C@H]4C[C@]32[C@H]1C1=C4C(C)(C)c2cccc3[nH]cc1c23 2356471620 SQICKNKEYQBAKG-AVBMYOIPSA-N 401.594 6.853 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356759269 XWDAKKDQJHVMKG-WFCVGYBNSA-N 410.686 8.009 0 1 HKAF COc1cc(-c2ccc[nH]2)[nH]c1C=C1C=CC(CCCCCCCCCCC(C)C)=N1 2356798550 SQMNYUXJPOVWBB-UHFFFAOYSA-N 421.629 7.927 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@@]4(C)C[C@@H](O)CC[C@]34C)[C@H]1C[C@@H](CN1CCCCC1)C2=O 2356873490 YHCZRFRDIZKNKD-CRLZNUORSA-N 401.635 5.061 0 1 HKAF Cc1ncc(CN2CCC[C@@H](C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)s1 15066204 BKMXHRJXCXNEQV-LJQANCHMSA-N 409.530 5.108 0 3 HKAF COC(=O)c1ccc2nc(-c3ccccc3)c(Cc3ccccc3C(F)(F)F)n2c1 169305082 GZZPNDKANWBVMX-UHFFFAOYSA-N 410.395 5.398 0 3 HKAF CC(C)(C)c1noc(-c2ccc(Cl)cc2F)c1C(=O)NCCc1ccccc1F 776244 ZFYGUOGQMBPEGI-UHFFFAOYSA-N 418.871 5.543 0 1 HKAF Clc1ccc([C@H](c2c[nH]cc2-c2ccccc2Cl)n2ccnc2)c(Cl)c1 5974402 SDRUARWGCORIAG-HXUWFJFHSA-N 402.712 6.476 0 1 HKAF COc1cccc([C@H](Cc2ccncc2)c2ccc(OC)c(OC3CCCC3)c2)c1 13441981 NRCPZOPUNOYCLZ-DEOSSOPVSA-N 403.522 5.795 0 1 HKAF COc1ccc2c3c(c(=O)oc2c1)[C@](C)(CC/C=C(\C)Cc1cc(C)co1)[C@@H](C)O3 13460833 VQRPFWMTIIMDKU-JRLFELCZSA-N 408.494 5.711 0 1 HKAF CCc1nc2c(-c3ccc(Cl)cc3Cl)ccnc2n1[C@@H](CCOC)C1CC1 13479590 WEDUAVJGSAKMSR-SFHVURJKSA-N 404.341 5.955 0 1 HKAF CCCCCC/C(=C(\c1ccccc1)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 13585497 PCYCJSPLWWNDPF-RQZHXJHFSA-N 418.602 7.020 0 1 HKAF CCCCC/N=c1\ccn(Cc2ccc(Cl)cc2)c2cc(C(F)(F)F)ccc12 13741415 YWVUUEOZBQBGFT-NHFJDJAPSA-N 406.879 6.453 0 1 HKAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](COC(=O)C3CCCCC3)CN(C)[C@@H]1C2 13793974 MVGJAGGFVQQYEG-IHLLOCCUSA-N 408.586 5.306 0 1 HKAF CCCN(CCC)C(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2ccccc12 13833100 VXNJBPHHWQITRO-UHFFFAOYSA-N 413.359 5.789 0 1 HKAF Cc1ccc([C@H]2CNC(=O)C23CCN(C2(c4ccc(F)cc4)CCCCC2)CC3)cc1 13982674 VCPCEUAIERDWJJ-XMMPIXPASA-N 420.572 5.289 0 1 HKAF O=C(O)c1cc(-c2ccc(Br)cc2)nc2ccc(-c3ccc(O)cc3)cc12 27629155 RPWZLVCFUYJNGM-UHFFFAOYSA-N 420.262 5.735 0 1 HKAF CC/C(=C(/CC)c1ccc(C(C)=O)c(C(C)=O)c1)c1ccc(C(C)=O)c(C(C)=O)c1 27876986 IAORKIBPWDNYSR-QURGRASLSA-N 404.506 6.228 0 1 HKAF O=C(Nc1sc(-c2ccccc2)nc1-c1ccccc1)c1cc2ccccc2s1 35271778 NTLGEZUNZQFOEX-UHFFFAOYSA-N 412.539 6.944 0 1 HKAF O=C(Nc1ccccc1)Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)N(CC1CC1)CC3 36221687 PNQVNINMHSUQSR-DFZDUAMZSA-N 416.565 5.766 0 1 HKAF in-vivo O=C1CCC(c2ccc(Cl)cc2)=NN1CN1c2ccccc2Sc2ccccc21 49808305 JHWMOYGVLPRQPP-UHFFFAOYSA-N 419.937 5.927 0 1 HKAF Clc1ccc2c(N3CCN(Cc4ccc(-c5ccccc5)cc4)CC3)ccnc2c1 64539784 MQULSMBYFLHODB-UHFFFAOYSA-N 413.952 5.877 0 1 HKAF CC1(C)CC(=O)c2c(nc3c(c(C#N)cn3Cc3ccccc3)c2-c2ccccc2)C1 72322200 QRAZJRNLKMFUIK-UHFFFAOYSA-N 405.501 5.778 0 1 HKAF O=C(NC[C@@H]1CCCN(CCCc2ccccc2)C1)c1ccccc1-c1ccccc1 73197137 MMMOKQFLXYDLPR-DEOSSOPVSA-N 412.577 5.428 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 85601687 ATSOHKZZFSOWDR-VGZPODFESA-N 416.734 7.961 0 1 HKAF CCCCc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 95591038 XTTWLISALSYABX-UHFFFAOYSA-N 407.579 5.729 0 1 HKAF CCOc1ccccc1[C@H]1Nc2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C21 103869145 YUTWLGUNBPYWAY-XHCCPWGMSA-N 410.517 6.714 0 1 HKAF CCOc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC)cc(Cl)c1O 103922575 HJCRLRIJHKKVLU-GOSISDBHSA-N 419.905 5.062 0 1 HKAF CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@H]5[C@H](C)N(C)CO[C@@H]5C[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C 146568017 DLPHGNHSDIDDPI-KBVVDYDXSA-N 412.662 5.386 0 1 HKAF CC(=O)[C@H](CCCCCCC(=O)O)CCC[C@@H](O)COc1ccc(C(C)(C)C)cc1 169316945 IOWSXDNPRCVHGW-IFMALSPDSA-N 420.590 5.525 0 1 HKAF Fc1ccc([C@@H]2C[C@H]3CC[C@H]([C@H]2c2ccc(F)cc2)N3CCCc2ccccc2)cc1 169334571 HMCBNLGRMGUNCH-GCFVYEKYSA-N 417.543 6.702 0 1 HKAF CC[C@H](C/C=C(\C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 255219083 HZYXFRGVBOPPNZ-KSSOIJSVSA-N 412.702 7.945 0 1 HKAF O=C(c1cccc2ccccc12)N(CCc1ccc(Cl)cc1)[C@H]1CC[C@H](O)CC1 261167414 SFLKPYFQQSLPMF-HZCBDIJESA-N 407.941 5.482 0 1 HKAF Oc1c(-c2ccccc2)cccc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586896420 LGYDECPARHEHPI-UHFFFAOYSA-N 422.328 6.640 0 1 HKAF COc1cc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1C 587031033 KYIZQHHMPXCORC-VJMCZWTHSA-N 414.556 5.007 0 1 HKAF FC(F)(F)c1cccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c12 587047755 MDYDWDZGIGZJDQ-UHFFFAOYSA-N 407.222 7.223 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(F)c(C(F)(F)F)c3F)nc3cccc1c23 587104092 NPHUNWCCXOFRQL-UHFFFAOYSA-N 411.329 6.410 0 1 HKAF FC(F)(F)c1cc(-c2cccc(-c3nc4cnccc4[nH]3)c2)cc(C(F)(F)F)c1 587113038 XTIHBMZAZSSYTB-UHFFFAOYSA-N 407.317 6.330 0 1 HKAF C[C@@H](c1nc2c(Cl)cnc(Cl)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128538 BLXKPCOQEFOULH-VKHMYHEASA-N 416.593 5.599 0 1 HKAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587164615 XYXGRPJTKUDKHG-OAHLLOKOSA-N 416.216 5.134 0 1 HKAF CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]3Cc4c(nc5cccc6c5c4CC6)[C@@]3(C)CC[C@@H]21 587213355 HJLWPTVRXXOAJF-XGBDYCOJSA-N 423.556 5.829 0 1 HKAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 587241711 HRAUPRFJDQITPT-UHFFFAOYSA-N 408.246 5.255 0 1 HKAF C[C@]1(c2ncc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326755 CZESQZLUQHLRRE-NQIIRXRSSA-N 418.251 5.507 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccc(NC(=O)c4ccc(Cl)cc4)c1)[C@@H](C2)C3=O 587420483 IENVGGOPYMYCBK-CVDCTZTESA-N 419.864 5.090 0 1 HKAF CCCC[C@]1(c2cc(Br)ccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423059 IFHKWJSLNVYWLH-IIBYNOLFSA-N 419.290 5.430 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(OC(F)(F)F)cc1)(C(C)C)CC2=O 587464564 SSHHVDKYKMWWHU-OAQYLSRUSA-N 408.416 5.760 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1ccccc1C(=O)OC)CC2=O 587484032 XCKUFZYGPLILNB-DEOSSOPVSA-N 416.473 5.505 0 1 HKAF C[C@@]1(c2ccc(NC(=O)c3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511785 NOKQRKSBSSRZQS-MHZLTWQESA-N 411.501 5.698 0 1 HKAF COC(=O)C[C@]1(c2ccc(C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587520970 BYUVGJPVKYATGG-SANMLTNESA-N 406.522 5.287 0 1 HKAF O=C1C[C@@H](c2cc3ccc(Br)cc3s2)Oc2c1ccc1c2CCCC1 587535471 LCTDJYBJMYTSOC-SFHVURJKSA-N 413.336 6.249 0 1 HKAF O=C1C[C@@]2(C[C@H](c3ccccc3)Oc3cc(O)ccc32)Oc2c1ccc1c2CCCC1 587536701 VXQDXTCXLHKNGK-VPUSJEBWSA-N 412.485 5.656 0 1 HKAF C[C@@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540525 AXXLNUKWKHMFKP-NQIIRXRSSA-N 401.245 5.576 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccccn2)cc1 587585383 CXBBNVPRRPOGDL-WIOPSUGQSA-N 411.413 5.282 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587602345 JJGZAXBNYRSIJJ-LEAFIULHSA-N 422.480 5.914 0 1 HKAF CCOC(=O)C(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2ccc(F)c(Cl)c12 587630314 YKAQUCQRMIPVLY-UHFFFAOYSA-N 413.754 5.392 0 1 HKAF CCOC(=O)c1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2cc(Cl)c(F)cc12 587631674 GWLPGHSGZLSHOA-GFCCVEGCSA-N 424.900 5.252 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(C(=O)C(F)(F)F)c2c1 587642715 PTEVJJXYIODGFV-LLVKDONJSA-N 413.361 7.112 0 1 HKAF Cc1cccc(C)c1NC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658175 KHFYHGYYCRPFJG-UHFFFAOYSA-N 421.472 5.204 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1Cl 587696426 UIIDPFGRYGZOPM-VVVCHXIZSA-N 403.122 5.827 0 1 HKAF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1C(F)F 587720364 STCUYRHZEPHREO-VVVCHXIZSA-N 400.238 5.158 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1/C=C(\C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587813004 ACPNTFOCHHNTHV-XNJSDXFKSA-N 420.410 6.666 0 1 HKAF Cc1ccc([C@@]2(C3CCCCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587821212 TYPOZPHXHHNVSJ-QMHKHESXSA-N 416.378 6.255 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCC(=O)O)(c2ccccc2)N1 587827983 NCBFWTCQPFZBCB-LHSJRXKWSA-N 420.322 5.011 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2\CCCO2)(c2ccccc2)N1 587836882 YJUNQEJLHDNIOV-VOGBJZLNSA-N 402.307 5.060 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(-c3ccccc3)s2)N1 587852194 DZKQKFRDMKRUIO-ODXCJYRJSA-N 417.347 5.509 0 1 HKAF Cc1ccccc1-c1ccc(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 587959014 KKMRLKLVIDXHDG-UHFFFAOYSA-N 400.831 6.801 0 1 HKAF FC(F)(F)Oc1cc(Br)cc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c12 587961188 QKKIAPZKMSFMIB-AAEUAGOBSA-N 411.221 5.570 0 1 HKAF FC(F)(F)c1cc(Br)cc2nc(/C=C\c3cccc4ccccc34)[nH]c12 587969147 RKJUWCDSKDQNOJ-HJWRWDBZSA-N 417.228 6.668 0 1 HKAF COc1ccc2c(c1OC)[C@@H](c1ccc(N(C)c3ccccc3)cc1)N(C)[C@H](C)C2 962632428 JNTPUSLNFMWZHL-IQGLISFBSA-N 402.538 5.438 0 1 HKAF CCCCc1ccc([C@@]2(c3ccc(C)cn3)N[C@H](CC)Cc3c2[nH]c2ccccc32)cc1 962949320 LMRDADGPMRIAPS-BTYSJIOQSA-N 423.604 6.430 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)([C@]2(C)CC3=C(CCCC3(C)C)C[C@H]2C)N1 962951571 UEHHSCYZPQFOKO-ZJKQJRDASA-N 404.642 7.250 0 1 HKAF CCOC(=O)C(C)(C)C[C@]1(c2ccc(SC)cc2)NCCc2c1sc(C)c2C 963014259 UQLDDWAMZQXXLP-HSZRJFAPSA-N 417.640 5.456 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@@]3(CCc1ccccc1)C1CCCCC1 963046973 NMHRGHBXRLTUSB-MHZLTWQESA-N 400.566 5.798 0 1 HKAF Cc1ccc([C@@]2(CCc3ccc(F)cc3)c3ccc(F)cc3C[C@H]3CCCN32)c(C)c1 963092690 AFELSJNPZFSVGG-NAKRPHOHSA-N 417.543 6.479 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@]2(c1ccsc1)c1ccccc1C(F)(F)F 963269290 HTCBGWHOUFLKJK-HXUWFJFHSA-N 423.887 5.867 0 1 HKAF CCSc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2c(OC)ccc(OC)c21 963613127 UBSZJUSQJPLBDP-YUNKPMOVSA-N 422.388 5.202 0 1 HKAF Cc1nc(Cc2cccc(C(F)(F)F)c2)sc1-c1ccc(C(N)=O)c(C(C)C)c1 1772579350 NSNARISKMPVURO-UHFFFAOYSA-N 418.484 5.950 0 1 HKAF CC(C)C(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857565894 HONQRLPRSAESGO-MQZUPHGCSA-N 418.662 5.618 0 1 HKAF Cc1cccc(NCc2nc(-c3cccc(C)n3)c(-c3cc4cnccc4s3)[nH]2)c1 1857595620 QIRYTECVPCJMTO-UHFFFAOYSA-N 411.534 5.977 0 1 HKAF Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccccc2Cl)cc1 1857616938 OWJGQJRAKWIPIQ-UHFFFAOYSA-N 417.896 5.363 0 1 HKAF CCO[C@@H]1CC(=O)O[C@H]2CC(=O)C[C@]21CC=C(C)CCC=C(C)CCC=C(C)C 2356389643 BOVUSYWJRLVHHQ-CUYJMHBOSA-N 402.575 5.866 0 1 HKAF Cc1cc(O)cc2c1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]3[C@H](C[C@H]12)O[C@]1(CC[C@H](C)CO1)[C@@H]3C 2356436614 SOJHOFMFPXJBPI-XDIYGDBNSA-N 410.598 5.961 0 1 HKAF CC=C(C)C(=O)OC[C@H](C)[C@@H]1[C@H](O)C=C(C)CCC=C(C)C[C@H]1OC(=O)C(C)=CC 2356440965 YUEOTHPHUBXRFE-WBADGQHESA-N 418.574 5.064 0 1 HKAF C[C@@H]1CCC[C@@H]2[C@]1(C)CC(=O)[C@H]1[C@]3(C)C=C[C@@]4(C)CCC(C)(C)C[C@H]4[C@@]3(C)CC[C@@]12C 2356451609 LONJPWUFRBKLHQ-SCNSMYMYSA-N 424.713 8.233 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356582795 XOCKKQKIUYNBRG-VLMQWNIMSA-N 418.706 6.685 0 1 HKAF C[C@@H]1CC[C@]2(C[C@@H]3[C@@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)O2)OC1 2356629713 OEWYCDKCYLIWJV-ZNOXLUSLSA-N 402.619 5.548 0 1 HKAF CC1=C2C[C@@]34CC[C@H](C)[C@@]2(CC1)[C@]3(C)CC1=CCC2=C1[C@]41C=C[C@@]3(CCC[C@@]34C[N@@]14)C2 2356649566 QAODPFWMQBRVFP-HEAPKAFOSA-N 411.633 6.877 0 1 HKAF COc1cc(OC)c2c(c1)[C@H](c1c(C)cc3cccc(OC)c3c1O)[C@@H](C)N=C2C 2356753346 PXBHZIFPQCRJCT-IQMFZBJNSA-N 405.494 5.223 0 1 HKAF CCCCn1c(-c2cccc3ccccc23)nc2cc3[nH]c(=O)c(C(C)C)nc3cc21 15936796 OPCIMOLVNJNMFQ-UHFFFAOYSA-N 410.521 6.017 0 3 HKAF C[C@@]12CC[C@@H]3[C@]4(C)CCC[C@@](C)(C(=O)NCc5ccccc5)[C@@H]4CC[C@]3(CC1=O)C2 36387908 XXTWNNJUTAYEDM-MFMOFGCSSA-N 407.598 5.675 0 3 HKAF C[C@@]1(Cc2c(Cl)cccc2Cl)C(=O)Nc2cc(-c3ccccc3Cl)ccc21 61897568 YGASEYMMYGKEQB-QFIPXVFZSA-N 416.735 6.766 0 3 HKAF O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1Cc2c(-c3ccccc3)ccnc2O1 61927805 PNOLQUWGZZXKOG-SFHVURJKSA-N 418.802 5.363 0 3 HKAF CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 13783741 HCXVJBMSMIARIN-HKIURHHYSA-N 412.702 7.801 0 1 HKAF CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccc(F)cc3)cc1)C2 13981403 YPJHELJTCJBMJE-SANMLTNESA-N 416.540 5.184 0 1 HKAF CC1(C)C=C[C@]2(C)CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 14617316 DAYKSLOBCZJGHS-PBNRESRWSA-N 424.713 7.945 0 1 HKAF endogenous,in-man C/C(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/CO)[C@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1 15156995 OOJOUQLXWXASLN-NSPUYVLJSA-N 410.598 5.751 0 1 HKAF endogenous,in-man CCn1c2c(c3ccccc31)[C@H](c1ccccc1)C[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21 17217242 GIGCLYBFUBFOQU-WRALFONMSA-N 420.512 5.470 0 1 HKAF Cc1cc(C)cc(-c2[nH]c3ccccc3c2CCNCCCCc2ccc(F)cc2)c1 26015863 WVIWDONZEOIQBO-UHFFFAOYSA-N 414.568 6.746 0 1 HKAF Cc1cccc(C)c1-c1[nH]c2ccccc2c1CCNCCCCc1ccc(O)cc1 27560288 FSJHGVBKCWGICV-UHFFFAOYSA-N 412.577 6.312 0 1 HKAF CC(C)c1ccc(OCCCOc2ccc3c(c2)O[C@@](C)(C(=O)O)CC3)c(Cl)c1 28125854 KXKPPFSIZKPQQS-HSZRJFAPSA-N 418.917 5.480 0 1 HKAF O=C(c1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1ccc(Br)cc1 28571440 NZHZVMINARSATQ-GOSISDBHSA-N 411.324 5.502 0 1 HKAF CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)OC[C@@H](COCC2CC2)O3)cc1 28863853 UKDPZLKDQDOJSF-MKGTUJQCSA-N 421.537 5.202 0 1 HKAF Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)C(C)(C)C[C@@H]2CC(=O)O 28951932 FFXCXZVCRKXCQS-SFHVURJKSA-N 405.494 5.511 0 1 HKAF O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(Cl)c(-c2ccc(Cl)cc2)c1 29217726 UJKCLUTUAULTGV-FQEVSTJZSA-N 414.288 5.086 0 1 HKAF O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc(C5CCCC5)cc4)n3)cc2)C1 36178480 ZYJFERBFOURDFL-OPAMFIHVSA-N 417.509 5.187 0 1 HKAF CCOC(=O)c1c(Cc2ccc(Br)cc2)[nH]c2c1cc(O)c1ccccc12 40411833 UUIVFTPUMYBUJS-UHFFFAOYSA-N 424.294 5.557 0 1 HKAF CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2Nc1cnccc1CO 40934693 APBZRDZUJOBALE-NRFANRHFSA-N 417.553 5.259 0 1 HKAF O=C(CCc1c[nH]cn1)Nc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)c1 45209936 ZDXUNRZQUGGFKH-UHFFFAOYSA-N 413.506 5.253 0 1 HKAF CC(=O)Oc1c(C(C)C)cc(C=O)c2c1[C@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@]21C 49052317 PVRDXYIDYRKYFL-WPFOTENUSA-N 400.515 5.250 0 1 HKAF CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2ccc(CO)cc2)n1 58660948 MKYJHFRHAZBFKJ-UHFFFAOYSA-N 414.509 5.459 0 1 HKAF in-vitro Cc1c(C(=O)NCCC(C)(C)C)nn(-c2ccc(F)cc2F)c1-n1c(C)ccc1C 66259744 BDEOVMZDXDAANU-UHFFFAOYSA-N 414.500 5.032 0 1 HKAF CCc1cccc2c(-c3nc(CN4CCCC4)cs3)cn(CC3CCOCC3)c12 71294741 BYXBQIHDIPGVPZ-UHFFFAOYSA-N 409.599 5.350 0 1 HKAF Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N2CCCC2)c1 82216786 NIXYQFLWAAPVBG-OZROYSPXSA-N 418.585 5.171 0 1 HKAF O=C1c2ccccc2C2=Nc3ccc(Br)cc3S[C@@]12c1ccccc1 84723576 ZYXFFZJGBZYJKQ-OAQYLSRUSA-N 406.304 5.767 0 1 HKAF Cc1cccc(C)c1-c1cccc([C@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 96269874 UWFRHONNJJPBLG-NTKDMRAZSA-N 416.473 5.434 0 1 HKAF Cc1ccc([C@H]2c3c(nc4c(c3N)CCCC4)Oc3c2c(=O)oc2ccccc32)cc1 96284165 WDXBVMSYHHZRAR-FQEVSTJZSA-N 410.473 5.243 0 1 HKAF Cc1noc2c1-c1sc(C)c(C)c1C(c1ccc(Cl)cc1)=N[C@H]2Cc1ncc[nH]1 96284463 GWXIOJYNQZHICH-INIZCTEOSA-N 422.941 5.840 0 1 HKAF CC(C)(C)c1cc2n(n1)[C@H](c1ccc(F)c(Br)c1)C1=C(O)CCCC1=N2 100790282 GTSCFVWKUGVTSS-LJQANCHMSA-N 418.310 5.754 0 1 HKAF CN1[C@H]2CC[C@@H]1C[C@H](O[C@H](c1ccc(F)cc1)c1cccc(Br)c1)C2 100834460 MTATUXXQZDSZDW-IVAOSVALSA-N 404.323 5.319 0 1 HKAF Cc1cscc1-c1cccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c1 101172209 XBHBQIUHFPWUGZ-UHFFFAOYSA-N 403.503 5.334 0 1 HKAF COc1ccc(-c2nc3cc(-c4csc(C(=O)NCC(C)(C)C)c4)cnc3[nH]2)cc1 103248072 SMAIRFQFHKTXBK-UHFFFAOYSA-N 420.538 5.138 0 1 HKAF COc1ccnc(Nc2ccc(Cl)c(OCc3ccccc3Br)c2)n1 103248613 VINMRSAMVIXHTM-UHFFFAOYSA-N 420.694 5.224 0 1 HKAF Cc1ccc(-c2c([C@@H](CC(C)C)C(=O)O)c(C)nc3sc4c(c23)CCCC4)cc1 113123671 HQGFGJDMWGGDGZ-LJQANCHMSA-N 407.579 6.673 0 1 HKAF C[C@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 118924699 OQIJRBFRXGIHMI-MTIKKGOQSA-N 420.678 5.412 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1cc(-c2coc3cc(O)cc(O)c3c2=O)ccc1O 139085158 HJFORXVEHXONPU-FRKPEAEDSA-N 406.478 5.812 0 1 HKAF O=C(Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 222248233 YQTSNTGFXADTHV-UHFFFAOYSA-N 420.679 6.118 0 1 HKAF CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)(C)O)C1 230444678 ICKQMIJINGRWRF-JDTILAPWSA-N 416.690 7.158 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1C=C[C@H]2[C@@H]3CC[C@H]4[C@@H](CO)CC[C@]4(C)[C@H]3CC[C@]12C 238733683 KXWXWGQKFMWWAF-MXTYQCKISA-N 400.691 7.348 0 1 HKAF CN1C/C(=C\c2ccccc2)C2=NN(CCCc3ccccc3)[C@H](c3ccccc3)[C@H]2C1 299848909 OZJKSULROWWVTD-WCJSCAGQSA-N 421.588 5.677 0 1 HKAF COc1cc(C(=O)c2c(-c3ccccc3)[nH]c3cc(F)ccc23)cc(OC)c1OC 473104283 PAEDQDGZPHMNFJ-UHFFFAOYSA-N 405.425 5.231 0 1 HKAF COc1cc(C(=O)c2ccc(Cl)cc2)cc(O)c1-c1cc(Cl)cc(Cl)c1 473109842 TVDQBXVJUFSQLL-UHFFFAOYSA-N 407.680 6.259 0 1 HKAF COc1ccc(-c2cc(CN(c3ncccn3)c3nc4ccccc4s3)on2)cc1 473122486 SGVBOLDSMXPOPN-UHFFFAOYSA-N 415.478 5.088 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(Cl)cc(C(=O)OC)cc4[nH]3)cc2)CC1 586881906 XECMURXQWYMQSA-QAQDUYKDSA-N 424.972 7.134 0 1 HKAF CC/C=C/C[C@@H]1c2nc3ccc(O)c4c3c(c2C[C@H]1CC(=O)O)-c1ccccc1C4=O 586989732 DGQKTEMAWMCFNJ-WCYDHSITSA-N 413.473 5.239 0 1 HKAF COc1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c1 586997874 FNIRQTMYOBVSBP-UHFFFAOYSA-N 409.283 5.580 0 1 HKAF Cc1cc(F)c2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2c1 587064312 POHNANMLXORRSV-UHFFFAOYSA-N 419.887 6.365 0 1 HKAF Fc1cc2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2cc1C(F)(F)F 587081641 DPZZXEQKRACOJC-UHFFFAOYSA-N 410.758 5.274 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(O)c5nc(O)ccc45)nc13)-c1ccccc1C2=O 587096494 KXLVBPYQMPRHHB-UHFFFAOYSA-N 404.425 5.381 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]41)-c1ccccc1C2=O 587099062 ZKRQGAWSJKGGLY-MSOLQXFVSA-N 412.489 5.186 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(Br)cnc3Cl)nc3cccc1c23 587102516 WMVSFEYGEFFUPH-UHFFFAOYSA-N 421.681 5.924 0 1 HKAF CCOC(=O)[C@H](Cc1ccc(C)cc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105763 DPMSUAMHTONBLG-HSZRJFAPSA-N 421.496 5.644 0 1 HKAF Cc1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587123653 FIFVPQUEACCYAC-UHFFFAOYSA-N 424.231 5.107 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(Br)nc3[nH]2)c1 587196146 QQIKZHJRVHWTNF-UHFFFAOYSA-N 417.307 5.067 0 1 HKAF CCn1c2ccccc2c2cc(NC(=O)Cc3cc4c5c(cccc5n3)CC4)ccc21 587211610 URUDWRBMSDAYPU-UHFFFAOYSA-N 405.501 5.642 0 1 HKAF Cc1cccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587341010 WIYNHKBMVLFPJM-YHXKCMJXSA-N 417.480 5.169 0 1 HKAF CCCC[C@@]1(c2cc(Br)ccc2F)CC(=O)c2cc(C)cc(N)c2O1 587381799 LIXGKIIOONTTMG-FQEVSTJZSA-N 406.295 5.530 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(=O)Oc3ccccc3)cc1)O2 587389264 JQBFMCACJXCMRU-XMMPIXPASA-N 402.450 5.069 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(C)cc(CN4CCCC[C@H]4C)c1C)[C@@H](C2)C3=O 587434568 ARVAMANDXKNJAV-BVRTZSTKSA-N 405.538 5.175 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(C=C(c3ccccc3)Oc3ccc(F)cc31)CC2=O 587470781 IVIWWLZOQBHGHR-SANMLTNESA-N 416.448 5.778 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C(=O)OCC)[nH]c3ccc(C)cc13)CC2=O 587481568 GRZVKMMKWOMUJY-HXUWFJFHSA-N 407.466 5.018 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(CC(C)C)cc1)CC2=O 587492729 YIGMGUAMEHXESF-VWLOTQADSA-N 410.510 5.269 0 1 HKAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1OC(F)F 587505476 LDUHRWQVCXYENX-QGZVFWFLSA-N 408.828 5.535 0 1 HKAF COC(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)cc1 587514729 JPCLSEVRQSVXBY-XMMPIXPASA-N 413.473 5.121 0 1 HKAF COc1ccc(-c2ccc(O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 587525528 PLJKUIVJDBRLMY-VWLOTQADSA-N 400.474 5.653 0 1 HKAF Cc1ccc(C(F)(F)F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587548066 MXNIMONTZWXGOF-RXVVDRJESA-N 400.352 5.422 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1c(Cl)cc(Cl)cc12 587552263 PGOKGVQUBACHHJ-SIKLNZKXSA-N 413.256 5.502 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc(OC(F)(F)F)c1 587552583 AWWGHDRARCBQRD-PXNSSMCTSA-N 420.314 5.133 0 1 HKAF C[C@]1([C@@H]2C[C@@H]2c2c(F)cccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554712 DWVSJXAECCLLLR-JXFOCZKGSA-N 424.855 5.709 0 1 HKAF CCCC[C@]1([C@@H]2CCOC(C)(C)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605672 AHQJOPHDLZTOGI-IUBQTAPSSA-N 410.510 5.488 0 1 HKAF Fc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccncn2)cc1 587622265 HNCABBZBSIFGCN-UHFFFAOYSA-N 408.234 5.070 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3nc(Cl)ccc32)N1 587706054 OMAKLESXLQNAET-YBTHPKLGSA-N 423.757 5.387 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)ccc(Cl)c2F)N1 587722359 YGVPHZPTMMTVAD-RBHXEPJQSA-N 404.657 5.318 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Cl)c2F)(C2CC2)N1 587725980 HCRBXBJKHNXWOL-APBUJDDRSA-N 412.705 5.569 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCC(=O)Cc2ccc(F)cc2)N1 587733446 LMGJOSQSNZTJED-BFUOFWGJSA-N 422.313 5.285 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)c2ccccc2n3C)N1 587760313 XRKBUOYDHZLQSE-ZAMGYDSWSA-N 423.329 5.857 0 1 HKAF COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC(C)C 587790731 HYBXSJISUJIYPS-BLVKFPJESA-N 408.311 5.008 0 1 HKAF Cc1ccc(OCC2CC2)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587805080 GLCONRLHKTUKJY-ZSEKCTLFSA-N 404.323 5.309 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(c2ccccc2)N1 587811031 FRXJAZLVWAKLPS-BXKMTCNYSA-N 424.357 5.999 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C=O)cc2)(C2CCCC2)N1 587821394 USSBPZAHNWLIRH-FPTDNZKUSA-N 416.334 5.369 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCC(c3ccccc3)CC2)N1 587823071 OBFYSQCCNZJEBY-ZKDCVREPSA-N 402.351 6.138 0 1 HKAF COc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1SC 587843742 JEBGEIKSKXLZKU-JEOXALJRSA-N 410.352 5.116 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccccn3)o2)N1 587845459 REHDOOMLLXDKFG-JEOXALJRSA-N 419.319 5.351 0 1 HKAF CC(C)[C@@]1(CSc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587846302 QIDLEIDXQAOYCH-JLTOFOAXSA-N 408.380 5.766 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CNc1ccc(OC)cc1 587859355 WPNDXZHOBJTKJW-UHFFFAOYSA-N 420.296 5.017 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(-c2ccccc2)nc(C)n1 587862789 JNTVITRTHKAOBN-UHFFFAOYSA-N 410.399 5.332 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2ccccc2)cs1 587867019 PUJYVYNUAUVQSX-UHFFFAOYSA-N 415.440 6.080 0 1 HKAF O=C(c1cc(-c2ccccn2)nc2ccccc12)n1nc2cc1Oc1ccc(F)cc1-2 587873903 PASLDZZPQKVWNB-UHFFFAOYSA-N 408.392 5.094 0 1 HKAF COc1ccc(C[C@@H](C)c2nc3cc(Cl)cc(Br)c3[nH]2)cc1OC 587926186 KLVYSXTUAZDCLN-SNVBAGLBSA-N 409.711 5.342 0 1 HKAF CCCOc1cc2nc([C@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2cc1Br 587931849 UCDWHTKULLOQIZ-SZNDQCEHSA-N 415.331 5.568 0 1 HKAF COc1cc(C)c(-c2ccc([C@H]3c4c(ccc(OC)c4OC)C[C@@H](C)N3C)s2)cn1 962572078 PPJRPEOFIPQPER-CMJOXMDJSA-N 424.566 5.110 0 1 HKAF c1ccc(-c2cnc([C@H]3c4ccccc4C[C@@H]4CN(c5ccccc5)CCN43)s2)cc1 962645842 RXSWOUFEROIQDP-ZEQKJWHPSA-N 423.585 5.646 0 1 HKAF Cc1cccc(CC[C@@]2(c3cccc(Cl)c3)NCCc3c(C(=O)O)cccc32)c1 963121794 LORDOLOXOZMYAT-VWLOTQADSA-N 405.925 5.369 0 1 HKAF COc1ccc(CSc2nc3ccc(Cl)cc3c(=O)n2-c2ccccc2)cc1 1772582712 AOLGPOAESPWHMJ-UHFFFAOYSA-N 408.910 5.340 0 1 HKAF Cc1cccc(-c2[nH]c(CNc3ccccc3C)nc2-c2ccc3nsnc3c2)n1 1857587127 ZMDZLOKVZATBIJ-UHFFFAOYSA-N 412.522 5.372 0 1 HKAF Clc1ccccc1OCCc1ccc(CN2CCN(c3ccccc3)CC2)cc1 1857590930 HRVONAAGSHXAPT-UHFFFAOYSA-N 406.957 5.284 0 1 HKAF CC(C)[C@H]1[C@@H](C)[C@H]1C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356552679 YQSCMUYRADBXNP-IOTFCXDQSA-N 414.718 7.571 0 1 HKAF CC(C)=CCC[C@]1(C)CC=C2CO[C@@]3(C)CC[C@@]2(O3)[C@@H]1C=COC(=O)C=C(C)C 2356620770 DYJKAEXCVPJAAQ-DFXJHMEVSA-N 400.559 6.004 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356648327 WOVIRZFRRNEFES-ZNNJJHSZSA-N 414.718 8.313 0 1 HKAF CCc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(C(C)C)cc2)cc1 2483705 YQGQIVZDBWQPBD-UHFFFAOYSA-N 418.581 6.297 0 1 HKAF c1ccc2c(CNCCCCCCCCNCc3cccc4ccccc34)cccc2c1 5888436 RUSAGYULHXYFNT-UHFFFAOYSA-N 424.632 7.213 0 1 HKAF CC(C)=CCC[C@]12C3=C(CC[C@@]1(C)[C@H](C)CC[C@@H]2O)Cc1[nH]c2ccccc2c1C3 14824456 VNRBHDIODBBYFF-AIERRPMVSA-N 403.610 6.887 0 1 HKAF CC1CCC(NC(=O)[C@@H](Cc2ccccc2)c2csc3ccc(C(=N)N)cc23)CC1 14950992 GRRWSGURXRCOGN-IOYBJCICSA-N 419.594 5.207 0 1 HKAF CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@H](O)c1cc(-c2ccsc2)nc2ccc(OC)cc12 26579995 CCUUAAWNWMSJJT-XPDQYIRWSA-N 408.567 5.126 0 1 HKAF Cc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)Cc3ccccc3)nc2n1 27406343 CFDLHVOINQTDQC-UHFFFAOYSA-N 423.303 5.488 0 1 HKAF Oc1cccc(C2N(Cc3ccc(Cl)cc3)CCN2Cc2ccc(Cl)cc2)c1 29131780 HOLBXNWPYRFVSF-UHFFFAOYSA-N 413.348 5.716 0 1 HKAF Clc1ccc(C[C@@H](Cn2ccnc2)c2c(Cl)cccc2Cl)c(Cl)c1 33493870 HNQTYVIQBAVFBS-ZDUSSCGKSA-N 400.136 6.523 0 1 HKAF O=c1oc(-c2ccc(O)cc2)cn2cc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)c12 34059919 OABBUCFKHOYRRT-UHFFFAOYSA-N 411.413 5.010 0 1 HKAF biogenic COc1cc(OC)cc(OCCCCCOc2c3ccoc3cc3oc(=O)ccc23)c1 34630579 MFQUDQPMBJXCHM-UHFFFAOYSA-N 424.449 5.185 0 1 HKAF CCc1ccc([C@@H]2C=CCN[C@H](c3ccccc3)C(=O)N2Cc2ccc(C)cc2)cc1 34961691 XYEJQXMGABTASH-RRPNLBNLSA-N 410.561 5.528 0 1 HKAF Fc1cc(-c2nc3ccccc3s2)ccc1Nc1ncnc2cc(Cl)ccc12 40915087 RKGNVOKYSGKVQZ-UHFFFAOYSA-N 406.873 6.443 0 1 HKAF CNc1nc2cc(C)c(C)cc2n1CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 53229881 SEGKGLUSRLAMEK-UHFFFAOYSA-N 421.585 5.878 0 1 HKAF CC(C)=CCN1C(=O)[C@]2(CC(C)=C[C@@H](COCc3ccccc3)O2)c2ccccc21 66156291 AZCIOMNUCSHJQR-NVQXNPDNSA-N 403.522 5.147 0 1 HKAF CCc1cnc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccco2)s1 82166353 DFFOFVNTYDRQKE-UHFFFAOYSA-N 410.930 5.731 0 1 HKAF Cc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2cc(F)ccc2c1=O 84670152 WFGFVNYYIDPQKW-UHFFFAOYSA-N 414.358 5.603 0 1 HKAF C[C@]12CCC[C@@](C)(CO)[C@@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1CC(=O)[C@]3(C)CC[C@]12C3 101665500 CFPMRJFTBKYCRR-FHEPDVDLSA-N 424.581 5.186 0 1 HKAF CC1(C)COP(=O)([C@H](OC(=O)COc2ccc(Cl)cc2)c2ccccc2)OC1 103173518 DBHSFZMPJROTLF-IBGZPJMESA-N 424.817 5.227 0 1 HKAF O=C(O)c1ccccc1N1[C@H](c2ccccc2)[C@]12C(c1ccccc1)=Nc1ccccc12 103276168 PZYONBNJBIMXJR-NTHKKXQOSA-N 416.480 5.976 0 1 HKAF CC(C)Cc1ccc([C@@H](C)C(=O)N2CCC[C@@H]2C(=O)OCCCc2ccccc2)cc1 103284214 ROMCHEBCESHYSR-PXDATVDWSA-N 421.581 5.156 0 1 HKAF CCO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3)nn2[C@@H]1c1ccc(F)cc1 103950390 YYSQOCVLCQALSN-LAFOYAEKSA-N 424.501 5.211 0 1 HKAF COc1cc2c(c(C)c1C)O[C@](C)(CC/C=C(\C)CC/C=C(/C)CCC=C(C)C)CC2 210578064 KGMRWPGSRWJUKG-QVAHHXKESA-N 424.669 8.595 0 1 HKAF COc1ccc(-c2coc3cc(OC/C=C(\C)CCC=C(C)C)cc(O)c3c2=O)cc1 238768713 BCMWIEXPSAVRQD-LDADJPATSA-N 420.505 6.246 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C 255240556 MYFPKLPVHIDFHO-SGQLLNSQSA-N 418.662 5.330 0 1 HKAF Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ccc(C(C)(F)F)cn1 473090912 BBERJDYZHUGPLR-UHFFFAOYSA-N 409.383 5.545 0 1 HKAF CCC[C@@H](NC(=O)c1ncc(C)s1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 473105931 UMTYRWRMRYBYKW-QGZVFWFLSA-N 415.950 5.218 0 1 HKAF Oc1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccncc2)n1 473154796 LVWPKFAHXZQELD-UHFFFAOYSA-N 405.457 5.643 0 1 HKAF CCc1ccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1Br 586978275 ZAPGXBDFMCEIJL-UHFFFAOYSA-N 409.352 6.706 0 1 HKAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)s1 587023913 WVFXXQGMFOIXDB-UHFFFAOYSA-N 420.494 5.264 0 1 HKAF CC(C)CCOc1cc2nc([C@H]3Cc4ccccc4S3)[nH]c2cc1Br 587044101 ZIPHBHABWXOVPF-LJQANCHMSA-N 417.372 6.140 0 1 HKAF COc1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc(Cl)c1O 587045702 CPOFUXYQNJCZFG-UHFFFAOYSA-N 421.600 5.379 0 1 HKAF FC(F)(F)c1ccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2c1 587060229 GTJIFHTXRBSOHS-UHFFFAOYSA-N 423.825 7.117 0 1 HKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c2)cc1 587068088 YHLCVKQNYFTASG-UHFFFAOYSA-N 420.793 6.201 0 1 HKAF CC(C)Oc1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587071843 SOZSIPITXLCNFX-MDWZMJQESA-N 418.924 6.753 0 1 HKAF Nc1nccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 587077126 QIHZPFCWDYITIU-SQFISAMPSA-N 423.907 5.896 0 1 HKAF CCCCC[C@@H]1c2nc3cccc4c3c(c2C[C@@H]1CC(=O)OC)-c1ccccc1C4=O 587106222 HEPDMCFZLXUVHV-SJORKVTESA-N 413.517 5.846 0 1 HKAF Nc1ccc(-c2ccc3nc(Cc4ccc(-c5ccccc5)c(F)c4)[nH]c3c2)cc1N 587144802 AXAGTVUEBLTGDJ-UHFFFAOYSA-N 408.480 5.791 0 1 HKAF Fc1ccc(Oc2ccc(-c3nc4ccc(Cl)cc4[nH]3)cn2)c(Br)c1 587161647 ZMCSKIYLQICBDN-UHFFFAOYSA-N 418.653 5.972 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCNc3cc(Cl)ccc32)[C@H]1c1ccc(F)cc1 587335912 XEGGOGQISGQNDB-GMAHTHKFSA-N 409.844 5.255 0 1 HKAF CCOC(=O)C[C@]1(CC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352760 XGGYYMGTWYZCCX-XUZZJYLKSA-N 414.473 5.018 0 1 HKAF CCCCC[C@H](C(C)=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587365684 NVBUPOURCYLSQG-HXUWFJFHSA-N 401.506 6.910 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cnn(-c3cccc(Cl)c3)c1C)CC2=O 587460135 GBEVRAWWYJXXHY-QHCPKHFHSA-N 410.901 5.373 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCCc1ccccc1)(c1ccccc1)CC2=O 587487630 FXDSWVFPMYPXQT-HHHXNRCGSA-N 400.518 6.228 0 1 HKAF O=C1C[C@@H](c2cn(-c3ccc(Cl)cc3Cl)nn2)Oc2c1ccc1c2CCCC1 587502805 FJXCYTFANNFEPP-FQEVSTJZSA-N 414.292 5.159 0 1 HKAF O=C1C[C@H](c2ccc(Oc3cc(F)cc(F)c3)cc2)Oc2c1ccc1c2CCCC1 587503060 KPMHVYTVAGTNOX-XMMPIXPASA-N 406.428 6.342 0 1 HKAF CCOc1ccc(-c2n[nH]cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587505387 MOTTWQHMPQANFF-JOCHJYFZSA-N 406.457 5.200 0 1 HKAF COC(=O)[C@]1(c2c(Cl)ccc(F)c2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587508965 UJHCTBMIBBWNQK-OAQYLSRUSA-N 423.267 5.045 0 1 HKAF O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2)Oc2c1ccc1c2CCCC1 587516726 VCYIVTHYVLMSPW-RUZDIDTESA-N 408.501 5.670 0 1 HKAF O=C1C[C@H]([C@@H]2CCCCN2C(=O)OCc2ccccc2)Oc2c1ccc1c2CCCC1 587517489 OCUOXFIXPIUEFO-LADGPHEKSA-N 419.521 5.091 0 1 HKAF CC1(C)CCC2=C(O1)c1ccccc1C(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587530436 BXNVHMALFYXBMF-HHHXNRCGSA-N 414.501 5.466 0 1 HKAF CCc1ccc(OCc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587533554 RCIDJPRDUXTISJ-VWLOTQADSA-N 402.490 6.006 0 1 HKAF Cc1ccc(-c2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)o1 587610676 GNOPMCVYYOSICY-NQIIRXRSSA-N 405.431 5.120 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(C2CC2)oc2ccc(O)cc12 587619794 ZHTRDAPJGYLPLC-PXDATVDWSA-N 414.413 5.424 0 1 HKAF O=C(c1cccc(Br)c1)c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587628062 HASXWTPSVAEDSC-UHFFFAOYSA-N 420.587 5.973 0 1 HKAF CC(C)(C)OC(=O)N1CCC[C@@H]1c1[nH]c2cc(F)ccc2c1CCCC1OCCO1 587637129 VWGNFEIVWTZGNV-LJQANCHMSA-N 418.509 5.075 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(Br)cc1 587654185 PILAGHKIXGCAMS-UHFFFAOYSA-N 413.221 5.093 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2c(Cl)cccc2Cl)N1 587696479 ULLHWMYVDUULLY-MLCYQJTMSA-N 417.149 5.887 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C(=C\N(C)C)c2cccc(Cl)c2)N1 587700804 MJFCYFKWTVLHMK-UUTZABGXSA-N 423.757 5.420 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(C(F)(F)F)cc32)N1 587711923 JDHFHBYGJXKTOF-MLCYQJTMSA-N 414.240 5.331 0 1 HKAF Cc1cc(OC(F)F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587713531 DNUZCFXKKYFZPG-VOJFVSQTSA-N 414.265 5.430 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(SC(F)(F)F)c2)N1 587715459 BXBNWSAPMNZMIS-ABKXIKBNSA-N 420.269 5.824 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2OC(F)(F)F)N1 587718300 IHALZYLETDMIRB-VPTHRUTESA-N 422.191 5.250 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccccc3)nc2)N1 587773743 RTRWCSHGJNTXGX-ZSEKCTLFSA-N 413.290 5.399 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)OC(C)(C)C)cc2)N1 587793367 NRMTYVUZUNVRBF-BLVKFPJESA-N 420.322 5.167 0 1 HKAF Cc1c(C)c(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C 587813446 CWZUSVXKQHXWDA-KPWVOAKYSA-N 404.367 5.928 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(/C=C\c3ccccc3)cc2)N1 587821228 TZNKOTFDSUEGQT-LQSNSBEWSA-N 422.341 6.382 0 1 HKAF CC(C)C(=O)SCC(=O)NCCCCCn1ccc2cc(Cl)c(Cl)cc21 1772635110 QBUDWARKIBQETK-UHFFFAOYSA-N 415.386 5.150 0 1 HKAF CCc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc(OC)cc1 1857576575 DMJXCRVOTNXINC-UHFFFAOYSA-N 421.500 5.595 0 1 HKAF Cc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1ccnc(NC2CCCC2)n1 1857647921 XGXYXKHDZZDMFD-UHFFFAOYSA-N 412.562 6.597 0 1 HKAF COc1ccc(CCN2CCCN(C3c4ccccc4CCc4ccccc43)C2)cc1 1857759928 OPWAMADAQVDWJQ-UHFFFAOYSA-N 412.577 5.091 0 1 HKAF CC=C(C)[C@H](O)[C@H](C)C=CC=CCC(C)=CCc1nc(OC)c(OC)c(O)c1C 2356388496 HVSNZEPHFYYIKC-NQIIRXRSSA-N 401.547 5.067 0 1 HKAF CC(C)=CCC[C@](C)(O)C=CCC(C)=CCC[C@]1(C)C=Cc2cc(O)cc(C)c2O1 2356450071 HNPKTDKTYUBNFK-RRPNLBNLSA-N 410.598 7.035 0 1 HKAF COC(=O)C=CC(C)=CC(C)=C[C@@H]1C(CC(C)=O)=C(C)C=C2C[C@H](C)C(=O)[C@H](C)[C@H]21 2356572043 NPDRLDWBYQKWPG-CXBMGBEHSA-N 410.554 5.321 0 1 HKAF CCC=C1OCCC2=C1[C@@H]1O[C@H](O)CC[C@@H]3C(CC)(CC)CCC[C@@]3(CC)[C@H]1CC2 2356587706 URZYCNZDXUVMPH-MNJKMXBHSA-N 416.646 6.908 0 1 HKAF COc1cc(C(C)=CC=CC=CC=Cc2[nH]ccc2Br)oc(=O)c1C 2356613389 KBQKGOONYFCSHH-UHFFFAOYSA-N 402.288 5.277 0 1 HKAF COc1ccc2c(=O)c3c(oc2c1)O[C@@](C)(CCC=C(C)CC=CC(C)(C)O)[C@@H]3C 2356685741 CVQADAXRSHREJQ-NSYGIPOTSA-N 412.526 5.500 0 1 HKAF Cc1ccc(C2=CCC(C)(C)c3ccc(C(=O)Nc4ccc(C(=O)O)cc4)cc32)cc1 1895361 WSQCBOJFDSJLNS-UHFFFAOYSA-N 411.501 6.059 0 1 HKAF O=C(NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12)C1CCC1 6745454 HOEKPTBRWZYWIL-UHFFFAOYSA-N 403.519 5.790 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1C(=O)CC[C@]2(C)[C@@H]1C[C@H](O)[C@@H]2[C@@H](C)CCCC(C)C 13373966 USFQLAVWHQCNDG-KPQZPELPSA-N 414.630 6.078 0 1 HKAF biogenic COc1cc2c(c(O)c1C/C=C(\C)CCC=C(C)C)C(=O)C[C@@H](c1ccccc1)O2 28964667 UDCNIVAKSBVBTO-CAVPUYEOSA-N 406.522 6.343 0 1 HKAF CCCCCCc1c2[n+](cc3c(OC)c(OC)ccc13)CCc1cc3c(cc1-2)OCO3 38730205 ZVNQSARSOIPNFE-UHFFFAOYSA-N 420.529 5.219 0 1 HKAF CC(=O)OC[C@H](CO)OC(=O)C[C@H](C)CCC1=C(C)CC[C@@H]2C(C)(C)CCC[C@@]12C 38860394 YCJLWITVGQBQCL-MMWWLGBPSA-N 422.606 5.203 0 1 HKAF biogenic Cc1ccccc1NC(=S)N[C@H]1CC(C)(C)Oc2ccc(Br)cc21 40881144 GBPVKXFHTCWMGE-INIZCTEOSA-N 405.361 5.346 0 1 HKAF CC1=C(c2nnc(-c3ccccc3)o2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 45254334 QFLMCHHTNWOOFU-LJQANCHMSA-N 424.291 5.686 0 1 HKAF CC1=C(CCCC(=O)N2CCOCC2)c2cc(Cl)ccc2[C@@H]1Cc1ccccc1 45356550 PFFHGIBQZZIRIQ-HSZRJFAPSA-N 409.957 5.483 0 1 HKAF CCCO[C@@H](c1ccc(Br)cc1)[C@H](SC(C)(C)C)n1cnc(C)c1 45366016 CLRSLKWUYWDGQJ-ROUUACIJSA-N 411.409 6.152 0 1 HKAF Cc1ccc(-c2cc(CCC(=O)Oc3ccc(C(C)C)cc3)nn2-c2ccccc2)cc1 72118302 HVEDKDPYKOZMSP-UHFFFAOYSA-N 424.544 6.509 0 1 HKAF COc1cc(N[C@H](C)CCCN)c2nccc(C)c2c1Oc1ccc(F)c(F)c1 73198383 AZDBSNVIZXWALH-CQSZACIVSA-N 401.457 5.162 0 1 HKAF CC(C)CCS[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 73224460 LHCQLAFJKZXZJJ-MJHCCXMASA-N 404.704 7.094 0 1 HKAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2ccccc2F)C1 82151197 FVMAFWZWUAGERK-ZWKOTPCHSA-N 412.553 5.026 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCc3ccc(C)cc3)ncnc21 82179091 LWTQIKKMNAQNNH-QGZVFWFLSA-N 415.541 5.469 0 1 HKAF O=C(O)CN(Cc1ccccc1)Cc1ccc(-n2c3ccccc3c3ccccc32)cc1 103285794 JDRORDMWTLIHMP-UHFFFAOYSA-N 420.512 5.871 0 1 HKAF CCOc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCSCC)cc1 103895415 SMQUCWASEGKKGS-OAQYLSRUSA-N 415.555 5.190 0 1 HKAF CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccc(C)cc2)C2=C(O)CC(C)(C)CC2=N1 104004019 XERMERLRSTUQPJ-HSZRJFAPSA-N 415.537 5.781 0 1 HKAF CC1(C)NC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(-c3ccc4ncnn4c3)cc21 139647559 JDEHEODNVULATB-SFHVURJKSA-N 423.347 5.673 0 1 HKAF Cn1nc(C(C)(C)C)c(C#N)c1-c1nc2cc(-c3ccccc3C(F)(F)F)ncc2[nH]1 140947141 BVLYUURQJUVINF-UHFFFAOYSA-N 424.430 5.213 0 1 HKAF C[C@@H]1C[C@@H]1c1cc(NC(=O)Nc2ccccc2Br)n(-c2ccccc2)n1 204748946 XJWFYCMGHYJLAU-HIFRSBDPSA-N 411.303 5.402 0 1 HKAF C[C@@H](c1cc(F)c2ncccc2c1)n1cnc2ncc(-c3cccc4ccccc34)nc21 222084557 WGVAYOBTLYZQFK-INIZCTEOSA-N 419.463 5.943 0 1 HKAF CC1(C)CCc2c(c3c(c4c(=O)c(-c5ccc(O)cc5)coc24)OC(C)(C)CC3)O1 238781414 GTNQCRJZJDWJOB-UHFFFAOYSA-N 406.478 5.373 0 1 HKAF C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 255277754 WQLVFSAGQJTQCK-IAWOBFGDSA-N 414.630 5.714 0 1 HKAF CCCCOc1cc2[nH]c(-c3oc4c(c3C)[C@@H](O)CCC4)nc2cc1Br 586904724 ACOUEHBMTLCEEP-HNNXBMFYSA-N 419.319 5.442 0 1 HKAF CCCCOc1cc2nc([C@H](C)Sc3ncccn3)[nH]c2cc1Br 586961862 MICWQAWJFIUMHI-NSHDSACASA-N 407.337 5.148 0 1 HKAF CCOC(=O)[C@H](F)[C@@H]1CCCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 586996137 PQTYFFBMNGJLNG-OPAMFIHVSA-N 403.453 5.076 0 1 HKAF CCCCCc1ccc(-c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)cc1 587099164 CEQFMEUEYQEIFG-UHFFFAOYSA-N 405.541 7.463 0 1 HKAF CC1(C)CN(c2cccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2)C1=O 587104401 GTXADMCYPAPCTG-UHFFFAOYSA-N 404.469 5.486 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(Cl)c(C(F)(F)F)c3)nc3cccc1c23 587104878 YGJPHAUVRVUMOL-UHFFFAOYSA-N 409.794 6.785 0 1 HKAF Cc1nc2[nH]c([C@@H](Nc3ccccc3)c3ccccc3F)nc2cc1Br 587153397 ZKIQMBXPHZJUMH-SFHVURJKSA-N 411.278 5.369 0 1 HKAF Oc1ccc(CC/C=C/c2nc3cccc4c3c(c2Cc2ccc(O)cc2)CC4)cc1 587215331 FVPCXBJBAPNXTR-QHHAFSJGSA-N 407.513 5.981 0 1 HKAF O=C(c1cc(I)ccc1F)c1coc2ccc(Cl)cc12 587278860 MVPRASDVSKWAGB-UHFFFAOYSA-N 400.574 5.061 0 1 HKAF Cc1ccccc1C[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357924 WRNITQLNXHNTHI-RSXGOPAZSA-N 402.465 5.590 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(F)cc2OCC3)c1 587360219 MBWOAXIDLFKWDM-UHFFFAOYSA-N 411.432 6.398 0 1 HKAF COc1cccc(-c2c(C)c(-c3ccc(O)c(OC)c3)nc3c2oc2ccccc23)c1 587363764 UPUFQLQTNSNWAV-UHFFFAOYSA-N 411.457 6.346 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(Cl)cc(C(F)(F)F)cc1Cl)[C@@H](C2)C3=O 587418966 FOPVBYNQXQZFKT-BTDLBPIBSA-N 403.183 5.510 0 1 HKAF COc1cc2c3c(c1)O[C@](CNc1ccc(Cl)cc1)(c1ccccc1)[C@@H](C2)C3=O 587422928 RGHUOJIZERGEAU-GBXCKJPGSA-N 405.881 5.104 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1c(C)[nH]c4ccccc14)[C@@H](C2)C3=O 587427161 HEOBJWSXXCHHGS-FNZWTVRRSA-N 413.448 5.315 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](c2ccccc2)Oc2cc(O)ccc21 587486679 MHZVICLWUXGLAX-AHWVRZQESA-N 416.473 5.435 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Sc3nc4ccccc4[nH]3)o1)CC2=O 587489685 CZNLIBLMTBLRFQ-HXUWFJFHSA-N 420.490 5.672 0 1 HKAF O=C1C[C@@H](c2ccc(I)c(F)c2)Oc2c1ccc1c2CCCC1 587502056 DRPUJZZYUKMPIP-SFHVURJKSA-N 422.237 5.016 0 1 HKAF O=C1C[C@H](c2ccc(-c3ncccc3C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587505498 HKQQIHUPMZEWKA-JOCHJYFZSA-N 423.434 6.353 0 1 HKAF CCCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587506471 YMAQHTCQLPZCMM-OAQYLSRUSA-N 415.327 5.823 0 1 HKAF C[C@@]1(c2ccc(Oc3ccc(F)cc3F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587507670 RXJCIYXLTHWFTK-SANMLTNESA-N 420.455 6.517 0 1 HKAF CCc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587531378 ZQZGGCDRBYJBCR-MUUNZHRXSA-N 408.497 5.581 0 1 HKAF COc1cccc(Sc2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587534419 ZCAOLVQVPIHJDO-XMMPIXPASA-N 416.542 6.432 0 1 HKAF Cc1ccc2nc(-n3cccc3[C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)sc2c1 587538652 QYAZUECQZYBWSM-QFIPXVFZSA-N 414.530 5.981 0 1 HKAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc12 587602118 WIWDENWXEYAHLC-BVAGGSTKSA-N 412.441 5.431 0 1 HKAF CC1(C)CCc2nc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)sc2C1 587616588 FGEZETMQJKIJHY-NQIIRXRSSA-N 407.491 5.067 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(Cl)cc3Cl)c2c1 587643104 YSNGTYYTZOBDMK-JTQLQIEISA-N 414.254 7.238 0 1 HKAF Cc1cc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587709756 NVKHYKSRESAUOD-BTDLBPIBSA-N 420.219 5.376 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(C(F)(F)F)cccc32)N1 587711626 IBUOJZVVUIHPPZ-MGNBDDOMSA-N 414.240 5.331 0 1 HKAF Cc1ccc(Cl)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1F 587719543 PWGSXYJWUMFSKL-MGNBDDOMSA-N 400.694 5.487 0 1 HKAF Cc1cc(F)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587720562 SLJHBYNGTOEJDI-XTZNXHDOSA-N 400.694 5.487 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C1CCCCC1 587754481 YYTHRZRUHAHIQQ-WHEQGISXSA-N 419.382 6.135 0 1 HKAF COc1ccc(-c2cccc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c2)cc1O 587785644 DLUQDOHUGOFXGS-UHFFFAOYSA-N 424.525 6.762 0 1 HKAF C/C=C\[C@]1([C@@H]2C(C)=CCCC2(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587816263 VYDICNKCEDBQCE-GOAHGFSYSA-N 406.383 6.276 0 1 HKAF Cc1ccc([C@@]2(c3ccco3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587827273 JFYNXCABXYWQEI-NYHFZMIOSA-N 414.318 5.624 0 1 HKAF CC(C)c1cccc2c1OCCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587834316 KSEZIYXCBOCUBP-PEBXRYMYSA-N 418.350 5.662 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1COc1ccccc12 587835137 NQKNQOPSBDGQAG-PSLXWICFSA-N 424.313 5.307 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)sc1Br 587841354 ASEOLTWUYKXTJW-RTHLEPHNSA-N 419.157 5.344 0 1 HKAF CCC[C@]1(c2ccc(Cl)s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587845815 FXTUOPBYYJBCKM-DYZYQPBXSA-N 402.760 5.881 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2C[C@H]2c2ccc(Cl)s2)N1 587850405 YVBMLUPGBLFMQJ-ZLXWJRTRSA-N 414.771 5.856 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cccc(Cl)c2[nH]1 587948535 DSZRGQFMVGCEKQ-VWKPWSFCSA-N 410.945 6.501 0 1 HKAF Cc1cc(Br)c2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2c1 587949926 NUCPBXQEDZUEQZ-QXMHVHEDSA-N 405.295 6.597 0 1 HKAF COc1ccc2c(=O)c(C)c(-c3ccc(-c4ccc(Cl)c(Cl)c4)nc3)[nH]c2c1 653784796 HQZJRSXVWRFDKX-UHFFFAOYSA-N 411.288 5.881 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@]1(c1ccccc1)c1cccc(F)c1 962378530 YRTZXMXAVMHEKN-VWLOTQADSA-N 402.538 5.576 0 1 HKAF Fc1ccc([C@@]2(C3CCCCC3)NCCc3cc(-c4ccccc4)ccc32)c(F)c1 962660469 CNBZQBFUFJMWJT-MHZLTWQESA-N 403.516 6.601 0 1 HKAF CCSc1ccc([C@@]2(CCC(=O)O)NCCc3cccc(-c4ccccc4)c32)cc1 962662868 CVLLPSCJEGADCG-AREMUKBSSA-N 417.574 5.720 0 1 HKAF Cc1ccc(-c2ccc([C@H]3N[C@H](C(=O)O)Cc4c3cc(F)cc4C(F)(F)F)o2)cc1 962693722 GHONJBXPFHRDKW-PXNSSMCTSA-N 419.374 5.101 0 1 HKAF CC(C)(C)C[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962897980 OBBLYOBOKZGYER-RXVVDRJESA-N 409.423 5.123 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2sc(-c3ccc(Cl)cc3)nc2C)N1 962959935 RKNKJIWNCFTGGK-BXKMTCNYSA-N 421.997 6.441 0 1 HKAF CCCc1ccc([C@@]2(c3ccc(F)c(F)c3)NCCc3nc4ccccn4c32)cc1 962987289 VPEZCRYNSXOVDF-VWLOTQADSA-N 403.476 5.003 0 1 HKAF Cc1sc2c(c1C)CCN[C@H]2c1c(Br)cccc1Br 963010364 NORWQZIBSHHKKJ-AWEZNQCLSA-N 401.167 5.125 0 1 HKAF Cc1c(C)c2ccc(O[C@H](C)[C@@]3(C)c4c(F)cccc4C[C@@H]4CCCN43)cc2oc1=O 963101069 LGNQNWQPYRUDET-LGRWACDXSA-N 421.512 5.252 0 1 HKAF COc1ccc2c(c1OC)[C@](CCc1ccccc1)(C(C)(C)C)NCC21CCOCC1 963187823 JMMWLVUVKJBATQ-HHHXNRCGSA-N 423.597 5.229 0 1 HKAF CN1C=C[C@]2(c3ccc(C(F)(F)F)cc31)c1cccc(Br)c1CCN2C 963281243 QVXJVFLXPAHSDN-LJQANCHMSA-N 423.276 5.163 0 1 HKAF CSCC(C)(C)[C@H]1c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963852055 ABKXSVHWPUEWQO-VQIMIIECSA-N 407.576 5.062 0 1 HKAF FC(F)(F)c1c(OCC2(c3ccc(Cl)cc3)CC2)ccn2c(CC3CC3)nnc12 1857627693 WBRPSHURBOTREI-UHFFFAOYSA-N 421.850 5.465 0 1 HKAF CC(C)COc1ccccc1CNC(=O)c1c2c(c(Cl)n1C)CCC(C)(C)C2 1857759966 AKPBGOZQZZJVAV-UHFFFAOYSA-N 402.966 5.158 0 1 HKAF CCOP(=O)(OCC)[C@H](Nc1ccc(C)cc1)c1cc2cc(C)ccc2nc1O 1857772452 UEZXYIYZIHCGOE-QFIPXVFZSA-N 414.442 5.934 0 1 HKAF C[C@H]1CC[C@@]2(C)[C@H](C)[C@@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1 2356484995 OTNXWKXFAAUSLG-ZUAAYVRYSA-N 411.674 6.045 0 1 HKAF CC(C)=CC=C[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@]35CC[C@]12C 2356498884 LOYCURYJAXOHHB-FKZBLDDMSA-N 422.697 8.153 0 1 HKAF COc1cc(OC)c([C@@H]2CCC=C(CCC=C(C)CCCC=C(C)C)C2)cc1OC 2356657997 AOJATAZCRAKXHS-HSZRJFAPSA-N 412.614 7.769 0 1 HKAF CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CCCC(C)(C)[C@@H]5C(=O)C[C@]43C)[C@@]2(C)CC1 2356712086 OZFAGHUNGAZEMO-VESYBCNDSA-N 424.713 8.377 0 1 HKAF Cc1cc2oc(=O)cc(CN(Cc3ccccc3)Cc3ccccc3)c2cc1Cl 72104533 MPUSIBMTWOBYNG-UHFFFAOYSA-N 403.909 5.957 0 3 HKAF C[C@@H](c1nc2ccccc2[nH]1)N(C(=O)Cc1csc2ccccc12)c1cccnc1 95600152 MTHTYYVXIJXZPK-INIZCTEOSA-N 412.518 5.510 0 3 HKAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCCc1ccccc1F 775929 HBFOBHSNCBXENM-UHFFFAOYSA-N 410.489 5.149 0 1 HKAF N=C(Nc1ccc(Oc2ccc(NC(=N)c3cccs3)cc2)cc1)c1cccs1 13648227 DHBMAGJSUZOVMY-UHFFFAOYSA-N 418.547 6.477 0 1 HKAF CC1(C)CCC(C)(C)c2cc3c(cc21)CCc1c(-c2ccc(C(=O)O)cc2)cnnc1-3 13742718 IYOYVLBTKKRLBC-UHFFFAOYSA-N 412.533 5.956 0 1 HKAF CCCc1ccc(CCCC(C)(C)C(=O)Nc2c(OC)ccc3c2OCCC3=O)cc1 13742728 VJNZTEZVOYMYSQ-UHFFFAOYSA-N 423.553 5.601 0 1 HKAF CCCC[C@@H](O)CCCCCCCCCCCCCCCCCCCC(=O)CCC 14494439 MTVMCAVIRSCQSX-MUUNZHRXSA-N 424.754 9.319 0 1 HKAF biogenic CCCCn1c(=O)c2nc(-c3ccc(Cl)c(Cl)c3)n(C)c2c2ccccc21 27326979 WDKZYDHHLIRZMW-UHFFFAOYSA-N 400.309 5.662 0 1 HKAF CCCc1nc2c(C)ccnc2n1Cc1ccc(O[C@@H](C(=O)O)C2CCCCC2)cc1 29337466 SEFHEEQEMQIRCI-HSZRJFAPSA-N 421.541 5.153 0 1 HKAF COc1cccc(OC)c1OCCNC[C@@H]1Cc2ccccc2[C@H](c2ccccc2)C1 29392945 BJGAWQMDTQOSCU-YKSBVNFPSA-N 417.549 5.067 0 1 HKAF O=C(O)CCCc1ccc(OCCN(c2ccccc2)c2cc(Cl)ccn2)cc1 40392898 RTSUNXZAGHDBPJ-UHFFFAOYSA-N 410.901 5.359 0 1 HKAF c1ccc(-c2ccc(Nc3ccc(CN4CCO[C@@H](c5ccccc5)C4)cn3)cc2)cc1 40424620 XDIHBXHIHGKJEY-HHHXNRCGSA-N 421.544 6.066 0 1 HKAF CC(C)(CCc1nc(-c2ccc(F)cc2Cl)no1)Nc1cnc2ccccc2c1 40918954 PKAIHLUGFFKSDM-UHFFFAOYSA-N 410.880 5.901 0 1 HKAF COc1cc2nc(NCC3CCCCC3)nc(NCc3ccccc3)c2cc1OC 45210556 RWZWLTJQWMPKIQ-UHFFFAOYSA-N 406.530 5.251 0 1 HKAF CSC1=N[C@]2(C[C@@H](c3ccc(C)cc3)c3cc(Cl)c(O)cc3O2)CC(C)(C)N1 45300430 YCTHDYRROCDDSR-AOMKIAJQSA-N 416.974 5.456 0 1 HKAF O=C(O)C1=Cc2cc(Cl)c(OCC3CCCC3)c(Cl)c2O[C@@H]1C(F)(F)F 66259134 AOXONZFWDHPDFF-HNNXBMFYSA-N 411.203 5.354 0 1 HKAF Clc1cccc(C2=NC(c3ccccc3)=NN(c3ccccc3)c3ccccc32)c1 68249299 HABUESJKLQNHHO-UHFFFAOYSA-N 407.904 6.691 0 1 HKAF O=C(O)/C=C/c1cnc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)c(Cl)c1 72112547 FKSFVWQVRWVJEH-DAFODLJHSA-N 409.913 5.673 0 1 HKAF COCCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(F)cc2)n1 82164121 ORGVJDXUZDHJQL-UHFFFAOYSA-N 420.513 5.522 0 1 HKAF O=c1cc(-c2cccc(CNCc3ccc(Cl)c(Cl)c3)c2)oc2ccccc12 98082798 UEEOGBFNSIFCIM-UHFFFAOYSA-N 410.300 6.057 0 1 HKAF Clc1ccc(C2=NO[C@H](c3ccc(Cl)cc3)N2c2ccc(Cl)cc2)cc1 103184152 TZWTZMUIQXYWPB-HXUWFJFHSA-N 403.696 6.544 0 1 HKAF COc1cccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2OC)c1 104700155 WLKJAIOBWIIVGT-QHCPKHFHSA-N 418.493 5.151 0 1 HKAF COc1cccc(-c2nc3ccccc3nc2C2CN(c3ccc4ccccc4n3)C2)c1 139349392 OTIPQHSLAKSABC-UHFFFAOYSA-N 418.500 5.457 0 1 HKAF Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4ccccc4)c(F)c3F)n(C)c2c1 144713518 QTKKKBKUZVXQLJ-UHFFFAOYSA-N 414.358 5.470 0 1 HKAF CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1ncc(-c2ccccc2)o1 169722346 BKDYXCKSNUIXDC-SFTDATJTSA-N 423.303 6.324 0 1 HKAF COc1ccc(-c2cnc3cncc(Nc4ccc(N5CCCCC5)cc4)c3n2)cc1 200649877 RTYGBULZXQMRLX-UHFFFAOYSA-N 411.509 5.434 0 1 HKAF CCCCn1c(Cc2ccc(Cl)c(Cl)c2)nc2cc(C(F)(F)F)ccc21 299824403 BFKQXTMJTDBGEJ-UHFFFAOYSA-N 401.259 6.753 0 1 HKAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3cccc4ncccc34)=CC[C@@H]12 299825883 LKEGFFPUSSRPMA-XGWYMSOKSA-N 411.545 6.499 0 1 HKAF C1=CN2CCCCCN3C=CC(=NC/C=C\CN=C1c1ccccc12)c1ccccc13 377845836 NRESQBMHTKQJJE-SZGQEMLTSA-N 408.549 5.373 0 1 HKAF COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1C(F)(F)F 586985704 FIAIYGBJZGLCBF-UHFFFAOYSA-N 421.374 5.846 0 1 HKAF Cc1ccc2c3c(c4c(nc13)C[C@@H](NC(=O)OC(C)(C)C)CC4)-c1ccccc1C2=O 586996888 QZJQAQSZHZSSPA-HNNXBMFYSA-N 414.505 5.137 0 1 HKAF Cc1cc2c(Br)ccc(-c3nc4ccc(Br)c(C)c4[nH]3)c2o1 587004662 YAUIVKRMHUWIEJ-UHFFFAOYSA-N 420.104 6.118 0 1 HKAF N=c1[nH]c2nc(-c3oc4ccccc4c3CSc3cccs3)nc-2c(Cl)[nH]1 587011807 ROIONRHPSWJSGH-UHFFFAOYSA-N 413.915 5.137 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cnc3ccccc3c2[nH]1 587072269 PZKSEDRXYKPBDF-DTRVWANBSA-N 408.332 6.784 0 1 HKAF Nc1ccnc2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc12 587077807 YFEBTYJIMYGTBL-FYWRMAATSA-N 423.907 5.896 0 1 HKAF Cc1ccc2c3c(cc(CCc4ccc5c(c4)OCCO5)nc13)-c1ccccc1C2=O 587102056 MMPFZXJESGRRPY-UHFFFAOYSA-N 407.469 5.311 0 1 HKAF Cc1ccc(/C=C\c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1F 587146147 BBUNTUZRFRUIRC-SREVYHEPSA-N 403.295 5.978 0 1 HKAF Nc1cccc2c1-c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331625 DWHFKFFOFPJQRB-XNMGPUDCSA-N 423.443 5.397 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2c2ccccc2)[C@H]1c1ccc(F)cc1 587355358 UQBGGZWQGBSWBD-CWDLOFLHSA-N 402.465 5.987 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)c(Br)cc1Cl)O2 587375654 DZAGMFXOJDYHPE-HNNXBMFYSA-N 401.087 5.353 0 1 HKAF CSc1ccc([C@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587379547 YSDYWCRAPAAYME-NOZRDPDXSA-N 422.521 6.164 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C[C@@H](c1ccccc1)c1cn(C)c3ccccc13)O2 587392051 VRSAMJFYTOKNRY-FPOVZHCZSA-N 410.517 5.625 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1cc(C(F)(F)F)ccc1C(F)(F)F)[C@@H](C2)C3=O 587418193 BFKQYBZFBHYDOB-KBXCAEBGSA-N 416.317 5.396 0 1 HKAF COc1cccc([C@]2(c3ccccc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587418404 HBCHMNVRWDTDLJ-NTKDMRAZSA-N 406.865 5.048 0 1 HKAF CCOc1ccc([C@]2(c3ccccc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587421072 RVWCEKOHMPAMQQ-CJFMBICVSA-N 420.892 5.439 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Oc1ccc(Cl)cc1)CC2=O 587462062 MZXPZQMEFGYRQG-HSZRJFAPSA-N 408.881 6.497 0 1 HKAF CC(C)Oc1ccc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587495480 CKDVAQQTCJFZKB-OAQYLSRUSA-N 415.327 5.822 0 1 HKAF O=C1C[C@H](c2ccc(-c3cc(F)cc(Cl)c3)cc2)Oc2c1ccc1c2CCCC1 587502937 IXHFYBMSYLATQB-XMMPIXPASA-N 406.884 6.731 0 1 HKAF O=C1C[C@H](c2cccc3c2cnn3[C@@H]2CCCCO2)Oc2c1ccc1c2CCCC1 587517386 MFKUYLOTOXNOJH-RPWUZVMVSA-N 402.494 5.321 0 1 HKAF CCOC(=O)[C@H](CC)[C@]1(c2cccc(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587521000 CCDXUBLRCQRZQY-BKMJKUGQSA-N 406.522 5.324 0 1 HKAF CCc1ccc(-c2[nH]c3ccccc3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521563 CJHRVTLAMZQRID-SANMLTNESA-N 421.540 6.983 0 1 HKAF CCOC(=O)C[C@@]1(C23CC4CC(CC(C4)C2)C3)CC(=O)c2ccc3c(c2O1)CCCC3 587525110 PZBAGCCNDALYSM-AKUXFEBOSA-N 422.565 5.439 0 1 HKAF Cc1c(C(=O)O)sc2ncc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc12 587539916 YNFYLBFWVQTHDN-HSZRJFAPSA-N 407.491 5.062 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCC2)cc1Cl 587541881 GOKWMOSQMKQMMF-URXFXBBRSA-N 421.880 5.349 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1Cl)C1CCCC1 587547829 NPEBRRKFLIFOIW-DHLKQENFSA-N 420.892 6.093 0 1 HKAF Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1C(F)(F)F 587548655 OIFWPGRKXPHRDH-UGKGYDQZSA-N 414.379 5.596 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc(C(F)(F)F)c1 587551213 YLIKVROIQBJZIF-PXNSSMCTSA-N 404.315 5.253 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2F)s1 587568030 JYOHPYKJEHZFFB-QPPBQGQZSA-N 418.445 5.963 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(F)c2)cc1 587573340 VXUBIZRFQNLOQB-ZEQKJWHPSA-N 412.416 5.901 0 1 HKAF COc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(C)C 587596201 VFDUCTSCGKYSEH-DHLKQENFSA-N 404.462 5.536 0 1 HKAF CC(C)(C)c1cc(N)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587615166 WSUBETSZAFVXDA-FDDCHVKYSA-N 409.507 5.210 0 1 HKAF Cc1cc(Cl)cc2c(N3CCC(C(F)(F)F)CC3)c(-c3c[nH]c(C=O)c3)[nH]c12 587624957 XBTYXRMGTXFVQP-UHFFFAOYSA-N 409.839 5.716 0 1 HKAF CC(=O)c1c(-c2cccc(Cl)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626049 ONUPXIHNDUYNPB-UHFFFAOYSA-N 405.725 6.729 0 1 HKAF O=C(c1cc2c(s1)CCCCC2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660883 IMQXVVLZUDPKSG-UHFFFAOYSA-N 418.493 5.222 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCCCF)cc2)N1 587717745 MHHAKQZJZCXZQJ-ZUOKHONESA-N 410.302 5.124 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)OC(C)(C)C)cc2)N1 587791110 IGICANDLUBBOHI-CWTRNNRKSA-N 420.322 5.167 0 1 HKAF COc1ccc(OCc2cccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)c2)cc1 587873785 MKEGWFGDDGBLOB-UHFFFAOYSA-N 416.408 5.071 0 1 HKAF Fc1ccc2c(c1)-c1cc(n(C(=S)Nc3cc(C(F)(F)F)ccc3Cl)n1)O2 587874383 YGAIPCRDWBZASK-UHFFFAOYSA-N 413.783 5.712 0 1 HKAF COc1cccc(-c2cc(O)cc(-c3nc4cc(F)cc(Br)c4[nH]3)c2)c1 587933814 VTDAHQAEKOOBMD-UHFFFAOYSA-N 413.246 5.513 0 1 HKAF c1ccc2c3c([nH]c2c1)[C@H](C1CCOCC1)N[C@@H](c1ncc(C2CCCCC2)[nH]1)C3 653730491 JXVGPGJMRYIUJF-GGAORHGYSA-N 404.558 5.293 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(COc3cccc(Cl)c3)o2)N1 962950355 MPCSHONJXCOMFI-FYSMJZIKSA-N 406.913 6.007 0 1 HKAF C[C@@]1(CSc2nnc3sc4ccccc4n23)c2ccc(F)cc2C[C@H]2CCCN21 963099472 HSJGIJBBAXDJNB-OPAMFIHVSA-N 424.570 5.111 0 1 HKAF CCOC(=O)c1cccc([C@@]2(CC(C)(C)C)c3ccc(F)cc3C[C@@H]3CCCN32)c1 963111803 RKBPAVVQTOSJKW-NVQXNPDNSA-N 409.545 5.703 0 1 HKAF CC(C)(C)c1ccc([C@@]2(C(F)(F)F)NCCc3c(Cl)cc(Cl)cc32)cc1 963126849 XEYUJIOJAADQCE-LJQANCHMSA-N 402.287 6.243 0 1 HKAF CNCCCCc1c(-c2cc(C)cc(C)c2)cnc2ccc(-c3cncc(O)c3)cc12 1772605710 XXIAQHKXGSSEJL-UHFFFAOYSA-N 411.549 5.828 0 1 HKAF COc1ccc(-c2cc(Cl)ccc2F)cc1[C@@H](CC(=O)O)c1ncc(C)s1 1772620649 ZTTHKGRCIOPPHZ-MRXNPFEDSA-N 405.878 5.526 0 1 HKAF Cc1cc2nccc(-c3ccccc3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1 1857650548 KTKSYQLWWRFZEF-UHFFFAOYSA-N 408.545 6.018 0 1 HKAF CC(C)=CC[C@H](O)[C@H](C)CCCC(C)=CCC[C@H](C)C[C@@H](O)[C@H]1COC(C)(C)N1 2356383168 CAMGJIALDLKPHB-UDIRQSBCSA-N 409.655 5.348 0 1 HKAF CC(=O)OCc1cc(O)c2c(c1)[C@H]([C@H](C)CCC=C(C)C)C[C@H](OC(C)=O)[C@@H]2C 2356522966 AXMCHASUBUDAKX-PRLPJYAQSA-N 402.531 5.360 0 1 HKAF CC(C)CC=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356804816 ZLQNJYXZDDSDNV-BHBOAMNQSA-N 400.647 6.136 0 1 HKAF c1ccc(Oc2ccccc2-c2cc(NCCc3cccnc3)n3nccc3n2)cc1 61930337 ALZOQRHRAZLPAE-UHFFFAOYSA-N 407.477 5.238 0 3 HKAF COc1ccc(Cc2c(C(C)(C)C)nc3c(C)cc(Br)cn23)c(C)c1 73373190 POEUTIQNUQHJNT-UHFFFAOYSA-N 401.348 5.611 0 3 HKAF CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCN(CC)CC 4212586 PRBSUYPHQFSHBH-DNQXCXABSA-N 415.622 5.282 0 1 HKAF COc1ccc2[nH]cc(CCNc3ccnc(-c4ccccc4C(F)(F)F)n3)c2c1 4266609 ROFRCNHJUQZGTL-UHFFFAOYSA-N 412.415 5.307 0 1 HKAF CSc1nc(-c2ccnc(N[C@H](C)c3ccccc3)c2)c(-c2ccc(F)cc2)n1C 13524498 LGTNIMDKAPAENR-MRXNPFEDSA-N 418.541 6.183 0 1 HKAF Oc1ccc2cc1Oc1ccc(cc1)CCc1cccc(O)c1-c1ccc(cc1O)CC2 14687274 CAILVWNDCKNABC-UHFFFAOYSA-N 424.496 6.147 0 1 HKAF biogenic COc1ccc2cnc(Nc3ccc(N4CCCCC4)cc3)nc2c1C1CCCC1 14945402 OOUVJZGGPJQFEB-UHFFFAOYSA-N 402.542 6.030 0 1 HKAF CC/C(=C(/c1ccc(OC(C)=O)cc1)c1cccc(OC(C)=O)c1)c1ccccc1 29553010 PYDHJMZFARBBMV-OCEACIFDSA-N 400.474 5.906 0 1 HKAF Cc1c2c(cc3c1[C@H](O)C[C@@]1(C)[C@H]3CC[C@@H]1[C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H](O)C2 35086347 PWOLTSTXQZMPQX-LGBQGCTGSA-N 410.642 6.266 0 1 HKAF CNc1nc2cnc(Nc3ccc(OC(F)(F)F)cc3)cc2n1Cc1ccccc1 82082004 MOYUPOXZMXCLAU-UHFFFAOYSA-N 413.403 5.164 0 1 HKAF CCCCN(c1sc2ccccc2c1Cl)S(=O)(=O)c1ccc(C(=O)O)cc1 115234105 DVLHZQGUAJGDNU-UHFFFAOYSA-N 423.943 5.248 0 1 HKAF CC1=C2CC[C@H](C)[C@H]2[C@@H]2O[C@]1(C(=O)CC(C)C)Oc1c2c(=O)oc2cccc(C)c12 197633099 CMUZRXRWUUHPQJ-CICGUXRYSA-N 408.494 5.239 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1)C(C)C 255269445 SXXCAAVOWOSERF-ICNLGYQESA-N 414.718 8.025 0 1 HKAF FC(F)(F)c1ccc2c(c1)nc(CC1=CCCC1)n2C[C@@H]1CCCN2CCCC[C@H]12 299827606 GRJAVIPYBIICTR-GHTZIAJQSA-N 417.519 5.972 0 1 HKAF CC(C)=C1CCN[C@H]1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@@]21C 299840551 VJHRMJFJZGQHMU-WJNCMEKMSA-N 424.717 6.617 0 1 HKAF Cc1cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2cc1Cl 586959751 LZGAYBKMHBWSIJ-HSZRJFAPSA-N 411.752 5.028 0 1 HKAF CCCOc1cc2nc(CSc3ccc(C)cc3C)[nH]c2cc1Br 586963808 QOIADQVJXIIBIQ-UHFFFAOYSA-N 405.361 6.023 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cccc(Br)c3O)nc3ccc(O)c1c23 586984132 IMFZTCAAEXLNQC-UHFFFAOYSA-N 418.246 5.287 0 1 HKAF Cc1ccc2c3c(cc(Cc4ccc(Br)cc4)nc13)-c1ccccc1C2=O 586994103 UKRQKYJZRIDCTP-UHFFFAOYSA-N 414.302 6.108 0 1 HKAF Cc1ccc2c3c(c([C@H](C)C(=O)O)c(-c4cccc(F)c4)nc13)-c1ccccc1C2=O 586995408 JTXGZZAWBKNHQI-AWEZNQCLSA-N 411.432 5.749 0 1 HKAF Clc1nc(-c2nc3c(Cl)cc(Br)cc3[nH]2)ccc1-c1ccccc1 587083600 BRFADOLUSNJLDE-UHFFFAOYSA-N 419.109 6.361 0 1 HKAF CCn1nc(Cc2cnc3c(C)ccc4c3c2-c2ccccc2C4=O)c2ccccc21 587096327 HKNVNOLNLIZALX-UHFFFAOYSA-N 403.485 5.715 0 1 HKAF CCOC(=O)Cc1nc2c(C)ccc3c2c(c1CCC(C)C)-c1ccccc1C3=O 587097862 ONUNFHVVNMROAW-UHFFFAOYSA-N 401.506 5.449 0 1 HKAF CCOc1cc(CCc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1O 587099293 XZPONKQBTCMFSH-UHFFFAOYSA-N 409.485 5.644 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]1CN(Cc2ccccc2)C[C@@H]31 587106071 LKKXBDYIAOJHDR-AUSIDOKSSA-N 416.524 5.608 0 1 HKAF O=C(O)c1ccc(-c2cc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)ccc2F)cc1F 587139012 ZPLMGTAIVCOBJF-UHFFFAOYSA-N 420.202 5.575 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Cl)cc(F)c3[nH]2)c(Cl)c1 587159416 PACDPYREGSUNDP-LJQANCHMSA-N 405.231 6.316 0 1 HKAF Cc1ccc2c(ccc3nc(/C=C/c4cccc(I)c4)[nH]c32)n1 587184011 NMUSUNCASYSGRI-UXBLZVDNSA-N 411.246 5.195 0 1 HKAF O=C(Nc1ccccc1)c1ccc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)cc1 587243731 HOFYKZBNOLCRHH-UHFFFAOYSA-N 415.802 6.154 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCOc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 587336502 YNHLXHZXIYVEAE-UPVQGACJSA-N 424.855 5.612 0 1 HKAF COC(=O)CCCC[C@H](C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346952 CTNWYWDRRYKARF-HRCLSFSHSA-N 414.473 5.018 0 1 HKAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cccc(C)c1 587398271 DHFHFSHJFLPAIZ-DEOSSOPVSA-N 417.505 5.570 0 1 HKAF CCOC(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2cc(C)cc(N)c2O1 587401821 YYDQQEMDQNDSNK-AREMUKBSSA-N 415.489 5.058 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(SC)cc3)cc1F)CC2=O 587467458 SHPMGULUGUBKLQ-DEOSSOPVSA-N 422.521 6.579 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](OC)c1ccccc1)CC2=O 587486345 ZJAJVVLVYMKNBL-FTJBHMTQSA-N 402.490 5.593 0 1 HKAF CC[C@@]1(CCc2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587495660 FCJIYEXEVYHPDK-HSZRJFAPSA-N 413.355 6.075 0 1 HKAF Cc1ccccc1-c1nc2ccccn2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587514114 GOXFKSWLBPSTOH-QHCPKHFHSA-N 408.501 5.895 0 1 HKAF Cc1cccc2c1Oc1cc(O)cc(O)c1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587533454 UBHMWZZOAVNQAM-SANMLTNESA-N 414.457 5.300 0 1 HKAF COC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587533620 RSQHAIABAYAXEQ-QHCPKHFHSA-N 402.446 5.319 0 1 HKAF O=C1C[C@H](c2csc(-c3ccc4c(c3)OCO4)n2)Oc2c1ccc1c2CCCC1 587535525 LUBNZWSOACVPPR-HXUWFJFHSA-N 405.475 5.124 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c2ccccc2c1O 587555029 ZCKFIMAAIFVXRY-YKSBVNFPSA-N 418.832 5.607 0 1 HKAF COc1ccc(-c2ccccc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594275 NWAPMEFDJNSDID-IGKIAQTJSA-N 424.452 5.771 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1ccc(O)cc1 587607920 IVJCEBBCIBRERN-RPLLCQBOSA-N 424.452 5.198 0 1 HKAF Cc1cc2c(cc1C)[C@]1(CCS2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615983 AMPSXPKVARTJEM-QPPBQGQZSA-N 404.487 5.362 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2c(Cl)cccc2Cl)N1 587691614 HAHQWUFEDCNIDQ-MGPLVRAMSA-N 417.149 6.103 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(C(F)(F)F)c2)N1 587712058 NJBHWQJSQDBUFO-XLFHBGCDSA-N 418.228 5.110 0 1 HKAF COc1cccc(OCc2ccc(-c3nc4c(OC(F)(F)F)cccc4[nH]3)cc2)c1 587781507 VPPBBAPYKJADNK-UHFFFAOYSA-N 414.383 5.716 0 1 HKAF CC(C)CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587795349 REEAIQFYKAZWEQ-SZNDQCEHSA-N 406.339 5.637 0 1 HKAF CC[C@]1(c2ccc(OCC(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587795810 RUZMADSUXQDDMQ-IVZQSRNASA-N 420.366 5.811 0 1 HKAF CCCCC[C@H](C(=O)OCC)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587797119 LTSKYWNFFCWJLW-WAWZGNHOSA-N 414.359 5.097 0 1 HKAF COc1ccccc1[C@@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804053 AEEDPTXDLJFWLV-YEJXKQKISA-N 406.339 5.421 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccccc3)cc2)N1 587815651 OHLCASWRMUFLQS-CMJOXMDJSA-N 410.330 6.053 0 1 HKAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587928072 VWHUKUZRIHKJAN-HXUWFJFHSA-N 402.494 5.701 0 1 HKAF COc1ccc(-c2ccc(-c3nc4c(Cl)nc(Cl)cc4[nH]3)cc2)cc1OC 587928328 DCAFSOJJJZUDGM-UHFFFAOYSA-N 400.265 5.616 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(C)cnc2[nH]1 587961083 RHMWFJYEDTZXLJ-ZACMJQCDSA-N 417.641 8.121 0 1 HKAF C[C@@H]1CC=CC[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587970985 PZXLIONEMCUHMD-CXAGYDPISA-N 401.919 5.087 0 1 HKAF O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1cnc(-c2ccco2)s1 621476468 UIAXQELYYOYVIC-UHFFFAOYSA-N 419.293 5.207 0 1 HKAF O=S(=O)(N[C@@H](c1cc2ccccc2s1)c1ccccc1Cl)c1ccccc1 653788906 ASFRIKCYGNKBCF-OAQYLSRUSA-N 413.951 5.623 0 1 HKAF CCc1ccc(C(=O)C[C@]2(C(F)(F)F)c3cc(OC)ccc3CCN2C(C)C)cc1 962090933 JPUIBIQPGBUHSV-HSZRJFAPSA-N 419.487 5.555 0 1 HKAF COc1cc2c(cc1OC)[C@H](c1ccc(N(C)c3ccc(F)cc3)cc1)N(C)[C@@H](C)C2 962630804 SVODBIHCMUSJHB-QLXKLKPCSA-N 420.528 5.577 0 1 HKAF Cc1cc([C@]2(C(F)(F)F)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)ccc1Cl 962773710 XLUBGLUPHPETRK-WBVHZDCISA-N 421.768 5.100 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)([C@]2(C)CC3=C(CCCC3(C)C)C[C@@H]2C)N1 962951564 UEHHSCYZPQFOKO-JVTBNVCXSA-N 404.642 7.250 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccccc2Cl)(c2ccccc2OC)N1 962957255 ODVZLANFEPHTKH-WGDIFIGCSA-N 416.952 6.046 0 1 HKAF C[C@]1(c2cncc3ccccc23)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962958644 OVFHTUNAZBHWFW-JOCHJYFZSA-N 412.455 5.169 0 1 HKAF Clc1cc(Cl)c2c(c1)[C@@]1(CCN(Cc3ccccc3)c3ccccc31)NCC2 963118404 FVFLWFPZVUITCC-DEOSSOPVSA-N 409.360 5.793 0 1 HKAF Cc1c([C@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)oc2ccccc12 963184075 PUEFALQIUBYYEV-RDJZCZTQSA-N 409.791 5.102 0 1 HKAF COc1ccc(-c2cc3c(cc2OC)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](OC)CC[C@@H]23)cc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c2c(-c3ccccc3Oc3ccccc3)ccnc2O1)c1ccccc1 61925742 YJMZDGNSGJGFJY-VWLOTQADSA-N 422.484 5.507 0 3 HKAF OC(c1ccccc1)(c1ccccc1)C1CCN(CCCNc2ccccc2F)CC1 199359723 WMJQNFGXIBBZRJ-UHFFFAOYSA-N 418.556 5.276 0 3 HKAF O=C(Nc1ccc(Cl)cc1Cl)O[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 205708167 PXIPMSXDZYJQTP-XBHMSOGKSA-N 411.329 5.256 0 3 HKAF CCOC(=O)c1cccn1[C@H]1C(=O)N(Cc2ccc(C(C)C)cc2)c2ccc(F)cc21 206032799 GLLYGNJLZCVOEQ-HSZRJFAPSA-N 420.484 5.064 0 3 HKAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2sccc2[C@H]1CN1CCCCC1 1913440 CFDUQHHQBATUFR-LJQANCHMSA-N 423.409 5.209 0 1 HKAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@@H]2OC(=O)CCc1ccccc1 6202613 LQWSQQKTZLDGME-DKLFHUDLSA-N 404.550 5.793 0 1 HKAF OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(Cc2ccc3ccccc3c2)CC1 13553173 ZNWWFIQDEPGZND-UHFFFAOYSA-N 419.874 5.996 0 1 HKAF CC(C)(C)c1ccc(/C(=C/C(=O)Nc2ccc3c(c2)OCCO3)c2cccnc2)cc1 13606895 VGHIZBDGRLEHKV-JWGURIENSA-N 414.505 5.221 0 1 HKAF CCCCCC(=O)OC[C@]1(CO)CC/C(=C\CC(CC(C)C)CC(C)C)C(=O)O1 13684074 SOHYAFLNBBMJIR-QTUJNPFGSA-N 410.595 5.203 0 1 HKAF Cc1c(-c2ccccc2)n(-c2ccccc2)c(=O)n1C1CCN(Cc2ccccc2)CC1 13799197 JICSUTQEGNUBOG-UHFFFAOYSA-N 423.560 5.452 0 1 HKAF O=C(O)CC/C=C\C[C@@H]1CO[C@@H](c2ccc3ccccc3c2)O[C@@H]1c1cccnc1 27736209 QILXQJUTHTWRNC-DOIFPZAUSA-N 403.478 5.449 0 1 HKAF Clc1ccc([C@@H]2CO[C@@](Cn3ccnc3)(c3ccccc3Cl)O2)c(Cl)c1 28768255 TWSPNUPQJYVQMY-RBUKOAKNSA-N 409.700 5.484 0 1 HKAF Clc1ccc2c([C@@H](c3ccc(CN4CCCC4)cc3)n3ccnc3)ccnc2c1 29135169 JURWEGYLSIHHLS-XMMPIXPASA-N 402.929 5.318 0 1 HKAF COC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)n1 29135667 KZQIICDCAZJBDW-UHFFFAOYSA-N 412.445 5.006 0 1 HKAF CCC(=O)Oc1ccccc1C[C@H](c1ccccc1)N1CCN(C2CCCCC2)CC1 39233861 OODLDZZWJDDTHK-RUZDIDTESA-N 420.597 5.236 0 1 HKAF CCN1CN(CC)[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 40608847 OQFFQHMTVWETIW-KDURUIRLSA-N 418.195 6.698 0 1 HKAF COCc1cc2ccccc2c(Oc2ccc(/C=C/C(=O)O)cc2)c1-c1ccccc1 40950282 GPFIKCYCCKWZTJ-DTQAZKPQSA-N 410.469 6.543 0 1 HKAF in-vitro CC(C)c1onc(-c2ccccc2Cl)c1C(=O)N(c1ccc(Cl)cc1)C(C)C 45352030 OGWODQNZIOTTDZ-UHFFFAOYSA-N 417.336 6.827 0 1 HKAF CSc1nc(NCC2CCCCC2)c(C(=O)O)c(SCc2ccccc2)n1 53312957 KPBUHTOQTGBQTG-UHFFFAOYSA-N 403.573 5.181 0 1 HKAF Sc1nnc(COc2ccc(Cl)cc2)n1Cc1cccc(-c2ccccc2)c1 64527599 LVMNZLTUWSIKJB-UHFFFAOYSA-N 407.926 5.515 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)n2ccnc2)C(C)(C)CC[C@@H]1n1cncn1 73196967 CPYPQOAYFFGXPW-IMNUTPTDSA-N 417.557 5.498 0 1 HKAF CC[C@@H](C)Nc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc(F)cc2)n1 82164839 DXFNRJXJFYYMFX-OAHLLOKOSA-N 402.473 6.124 0 1 HKAF Fc1ccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3ccco3)n2)cc1 82165291 ONQRYGQRIVZLJP-UHFFFAOYSA-N 416.481 5.807 0 1 HKAF c1ccc(-c2cnc(-c3cnc(NC4CCCCC4)nc3-c3ccco3)s2)cc1 82165384 QMFFTVNPGZZNBD-UHFFFAOYSA-N 402.523 6.272 0 1 HKAF COCCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2C)n1 82177162 YAGGIZORUTWUQX-UHFFFAOYSA-N 416.550 5.691 0 1 HKAF CCCCCc1nc(-c2cnc(NC3CCCCC3)nc2-c2ccccc2C)oc1C 82177173 WRKJUCOUSYXACO-UHFFFAOYSA-N 418.585 6.893 0 1 HKAF CCOC(=O)C(C)(C)C1=C/C(=C\c2cccc(-c3ccccc3)c2)c2ccc(F)cc21 84722694 XRTNZGWXXQIHKG-CJLVFECKSA-N 412.504 7.020 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccncc2)C[C@@H](c2ccc3c(c2)OCO3)C1 103998838 XPFDAXFUXWEJAI-CRICUBBOSA-N 411.461 5.439 0 1 HKAF COc1cccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)c1 104021068 KREDENQZLAURMY-FYSMJZIKSA-N 402.519 6.386 0 1 HKAF CCCC[C@H](O)Cc1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OC)cc1 117777273 YPBWBYYYMUJPHT-YTFSRNRJSA-N 402.575 5.357 0 1 HKAF O=C(O)c1cccc2c1oc1c(C(=O)O)ccc(Nc3cc(Cl)cc(Cl)c3)c12 135998578 LDNMEHRUTITZDD-UHFFFAOYSA-N 416.216 6.033 0 1 HKAF CCCCNC(C)(C)C[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 169334011 LKDLWGJKEJSMMI-OAHLLOKOSA-N 422.413 5.864 0 1 HKAF CN1CCc2c(c3cc(C(F)(F)F)ccc3n2CCCOc2ccc(Cl)cc2)C1 169350495 XBYPGKZSUUYCRK-UHFFFAOYSA-N 422.878 5.771 0 1 HKAF Cn1c(=O)c2ccc(-c3cnc4ccccc4c3)cc2n2nc(-c3ccccc3)cc12 169350992 JMBRWBYCIMLWTA-UHFFFAOYSA-N 402.457 5.068 0 1 HKAF CN(C(=O)c1cc(-c2cccc(O)c2)sc1-c1cccc(O)c1)c1cccc(O)c1 169351577 PPQNPKZWJCTPDA-UHFFFAOYSA-N 417.486 5.476 0 1 HKAF CCc1cc2ccccc2n1-c1nc(NCc2ccccc2)c2cccc(OC)c2n1 208177559 WGQNSJLZSUZAOU-UHFFFAOYSA-N 408.505 5.757 0 1 HKAF COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C)[nH]c4ccccc34)c12 225373122 BFPGYGQGGBHUJW-UHFFFAOYSA-N 423.476 5.848 0 1 HKAF Cc1ccccc1C(=O)c1cccc([C@@H](C)CN2CCCC[C@H]2CC2CCCCC2)c1 253697389 AYFZEWVXVQCFDL-HOFKKMOUSA-N 417.637 7.154 0 1 HKAF CC(C)CCOc1cc2[nH]c(-c3ccc(C4CCC4)cc3)nc2cc1Br 586880547 MJYZHPOZPKNZMP-UHFFFAOYSA-N 413.359 6.685 0 1 HKAF Clc1nccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1Br 586979425 MEWAUFSPUGEHCB-UHFFFAOYSA-N 421.907 5.457 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Cl)cc(C)c3[nH]1)N2 587030438 DYNARTPXVQQVHH-ODYDIQAQSA-N 418.975 5.652 0 1 HKAF Cc1ccc2c(ccc3nc(-c4cc(-c5cccc6ccccc56)ccc4Cl)[nH]c32)n1 587050729 LBQOGOZADNFWSO-UHFFFAOYSA-N 419.915 7.560 0 1 HKAF N[C@H](N=O)c1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1 587058193 ZVMYCWBQOHSBRH-GOSISDBHSA-N 417.252 5.432 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(Br)c(O)c2[nH]1 587073345 CGBQEQHOQGGMMN-UHFFFAOYSA-N 413.702 6.327 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(F)c(F)cc4[nH]3)c(Cl)cc12 587078101 HPVGGEFZVBGNGI-JTQLQIEISA-N 418.827 5.693 0 1 HKAF Clc1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2nc1Cl 587080357 CCARRZFSIOIAFT-UHFFFAOYSA-N 415.671 5.295 0 1 HKAF Fc1cc(Br)c2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2c1 587082276 MRBYEUYIJIBYMU-UHFFFAOYSA-N 421.657 5.018 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H]1CN(Cc2ccccc2)C[C@@H]31 587106077 LKKXBDYIAOJHDR-WMZHIEFXSA-N 416.524 5.608 0 1 HKAF Cc1nc2[nH]c(-c3cc(Cl)c(Br)cc3F)nc2cc1Br 587137092 SNWSWXHGAQMHEU-UHFFFAOYSA-N 419.479 5.251 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cncc(Br)c3[nH]2)c1 587159337 YXFOHZNVYHBNLV-UHFFFAOYSA-N 412.262 5.126 0 1 HKAF COc1cccc(-c2cc(F)cc(-c3nc4cc(C)cc(Br)c4[nH]3)c2)c1 587161046 LADPIFPHRJRPOG-UHFFFAOYSA-N 411.274 6.116 0 1 HKAF C[C@H](Oc1ccc(F)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 587168300 FCUUJWDPNYDZQB-QMMMGPOBSA-N 414.072 5.367 0 1 HKAF Fc1ccc2[nH]cc(Cc3nc4cc(Br)c(Br)cc4[nH]3)c2c1 587174058 FAIAXNHTSCWLHD-UHFFFAOYSA-N 423.083 5.299 0 1 HKAF CCCC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326811 DCUZIIRZBHCZQV-NOZRDPDXSA-N 424.899 6.629 0 1 HKAF C[C@@H]1C[C@H](c2ccccc2)C[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355792 WDIQWLJVZXYGJT-DFWYFKOOSA-N 416.492 6.233 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC(C)(C)c3ccc(Br)cc31)O2 587374464 YGBGKHKIEBTVBJ-NRFANRHFSA-N 400.316 5.272 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1F)(c1sccc1C)O2 587384459 DREZUTMZGDMZAU-NRFANRHFSA-N 401.890 5.649 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc5c(c4)OCCCO5)cc1)[C@@H](C2)C3=O 587451431 HOJHNHINUNYPHO-RXFWQSSRSA-N 414.457 5.012 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3cccc(Cl)c3)o1)CC2=O 587463229 UBCLBKOSDSWEDX-QFIPXVFZSA-N 412.869 5.877 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1ccc(F)cc1)(c1ccc(OC)cc1)CC2=O 587467203 OYEYTLVOUFXIQK-SANMLTNESA-N 420.480 5.596 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc([C@H](C)CC)cc1)CC2=O 587468416 GCLNNUPYHXSJDS-CPJLOUKISA-N 409.526 5.611 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1cccnc1 587513188 BCZRTUVQHVIORH-DEOSSOPVSA-N 415.489 5.255 0 1 HKAF COc1ccc(Oc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 587521252 BPYSJHHUUXSHOK-VWLOTQADSA-N 400.474 6.073 0 1 HKAF Cc1nc(COc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cs1 587536627 YBKCRVTXWULVGX-HSZRJFAPSA-N 405.519 5.616 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)c(Cl)c1 587549096 PXAAGWKAVDGCMI-FXAWDEMLSA-N 420.770 5.767 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(Cl)c1F)C1CC1 587570333 VJLHNDMNUDXLPB-WMZHIEFXSA-N 410.828 5.452 0 1 HKAF O=C(c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1)C1CCC1 587600340 APFHHJDOFXGOOU-OFVILXPXSA-N 400.430 5.078 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(SC2CCCC2)cc1 587614837 VFVVDUVKPHVVBX-WIOPSUGQSA-N 418.514 6.130 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc(F)c(Cl)c2F)N1 587719382 LEGUKPOEYSZAMA-XABCROFNSA-N 408.620 5.283 0 1 HKAF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1Cl 587721910 WPXPBEPBXRDDNZ-CQLKUDPESA-N 402.666 5.013 0 1 HKAF CCc1ccccc1-n1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587757081 UTNMGMZGODAIKY-JLCFBVMHSA-N 413.334 5.565 0 1 HKAF CCn1nc(CC[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587762920 HDXVLZMNPHEMPM-ACJLOTCBSA-N 416.338 5.166 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C3CCCCC3)cc2)N1 587816353 WWOROQASMRBZME-CMJOXMDJSA-N 416.378 6.434 0 1 HKAF CC(C)[C@]1(CSc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587842805 GNSJLEDFIDOSEV-VLIAUNLRSA-N 408.380 5.766 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1ccc(C(F)(F)F)cc1 587861713 XMZNZLQNHBJNPG-UHFFFAOYSA-N 400.322 5.645 0 1 HKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587951885 UWFMIHDYEQTRRX-NSHDSACASA-N 407.342 5.905 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cncnc2[nH]1 587959077 IYAWPJUHONVOHN-RCHUDCCISA-N 404.602 7.207 0 1 HKAF Cc1cccc(-c2sc(C)nc2C(=O)N2CCC[C@H]2Cc2ccc3c(c2)OCO3)c1 653786116 WSFODJHZTULNHW-IBGZPJMESA-N 420.534 5.003 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2ccc(OCc3ccccc3)c(F)c2)N1 962956786 YVHTVJFEJXKKMS-HRFSGMKKSA-N 414.524 6.074 0 1 HKAF CSc1ccc([C@]2(CCc3cccc(C)c3)NCCc3c2sc(C)c3C)cc1 963029439 RVMXBOWLVOLWON-VWLOTQADSA-N 407.648 6.417 0 1 HKAF Fc1ccc(Sc2ccc(Cl)cc2)c([C@H]2NCCc3cccc(Cl)c32)c1 963390102 FNYWKBRJUWEOME-OAQYLSRUSA-N 404.337 6.519 0 1 HKAF CCCc1ccc(C(=O)Nc2ccc3c(c2)[nH]c(=N)n3CCCc2ccccc2)cc1 1857537538 WJZAWSPLXGLOTH-UHFFFAOYSA-N 412.537 5.286 0 1 HKAF CC(C)CC[C@H](O)[C@@](C)(O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 1857742876 LMMRHWWBNFVJIU-NAFFBZQJSA-N 404.679 6.584 0 1 HKAF CCC(=CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356540760 JNYKCGNCXSSXEF-VEVYEIKRSA-N 412.702 7.945 0 1 HKAF CCC[C@H](CC)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356588643 CPLVWRYIIKOCEQ-PYYRWUFESA-N 414.718 8.169 0 1 HKAF COC(C)(C)C=CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356628682 BGFFWNIGBDDDCN-DTHNQABZSA-N 414.674 6.934 0 1 HKAF C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3C4=CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]1[C@H]2C 2356650989 YRYHWWSPSYOEEL-JYRKUWDGSA-N 412.614 5.634 0 1 HKAF CC(=CCCC(C)=CCCc1ccoc1)CCC=C(CCC=C(C)C(=O)O)C(=O)O 2356659713 PDLLQHLQXNHVGF-UHFFFAOYSA-N 414.542 6.487 0 1 HKAF C[C@@]1(Cc2ccc(C(F)(F)F)o2)C(=O)Nc2cc(-c3ccc(F)cc3F)ccc21 61927771 HRJAXEODHLKTNZ-FQEVSTJZSA-N 407.338 5.696 0 3 HKAF CC(C)=CCC[C@H](C)C[C@@H]1CC2=C(C(=O)OC(C)(C)O2)[C@H](c2ccc(Cl)cc2)O1 72106006 BVMQMOAFGZVHJN-NBCNXNJRSA-N 418.961 6.506 0 3 HKAF CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NC[C@H](O)CC 4212286 FQQMFHBOKYNGIK-QLBJFCOMSA-N 422.569 5.255 0 1 HKAF CC[C@@H](C)C(=O)c1c(O)c2c(c3c(-c4ccccc4)cc(=O)oc13)OC(C)(C)C=C2 13382693 MIXHWJJKSJFGCZ-CQSZACIVSA-N 404.462 5.579 0 1 HKAF biogenic,in-vitro COc1c(-c2ccc(O)cc2)c(O)cc2c1oc1cc(O)c(OCC=C(C)C)cc12 13382943 UHQZRZCHRCXKDE-UHFFFAOYSA-N 406.434 5.723 0 1 HKAF biogenic O=C(OCCCCN1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1 13737412 FORAQNDHGZCCMH-UHFFFAOYSA-N 405.582 5.701 0 1 HKAF Clc1ccc([C@@H](OC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c2ccccc2)cc1 13861976 BRCNZPLXMLLSIC-UEEAVMEZSA-N 417.980 6.642 0 1 HKAF C/C(=C/C=C/C(C)=C/C=C\C=C(/C)CCCO)[C@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1 14827109 SMTGOURXPBLNQN-UDFCXBHXSA-N 412.614 5.975 0 1 HKAF endogenous,in-man CC(C)C(=O)OCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)O)O2 15165026 FSZPCPVUWXSHEO-ZQAWKMMESA-N 406.563 5.131 0 1 HKAF CCN(CC)C[C@H]1c2ccccc2CCN1C(=O)Cc1ccc(Cl)c(Cl)c1 26579796 KKCZBUOZNZLSHD-NRFANRHFSA-N 405.369 5.004 0 1 HKAF Cc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cnn1-c1ccccc1C(F)(F)F 26665648 IMPFXVCYBNYWEU-UHFFFAOYSA-N 413.321 5.471 0 1 HKAF COc1ccc([C@@H]2[C@H](CCc3ccccc3)CC(=O)N2c2ccc(OC)cc2)cc1 26742859 UVJAYAHHKNFNAG-QFQXNSOFSA-N 401.506 5.431 0 1 HKAF COc1ccc(C(=O)Nc2ccc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)cc1 28642675 HYUAAUSCPBJSKF-UHFFFAOYSA-N 421.836 5.080 0 1 HKAF O=C(Nc1ccc(O[C@H]2CCN(Cc3ccccc3)C2)c(Cl)c1)c1cccs1 45192734 BPAMTVOERYFKPA-SFHVURJKSA-N 412.942 5.307 0 1 HKAF CCCCCCC(C)(C)c1cc(NC(C)=O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 45372938 SEWMYSWOUWBGNK-FGZHOGPDSA-N 411.630 7.504 0 1 HKAF COc1ccc2nc(-c3ccc(-c4ccc(Br)s4)s3)sc2c1 49111453 SBJUWDBIFWUNGU-UHFFFAOYSA-N 408.367 6.524 0 1 HKAF COc1cc(-c2ccccc2)c(Cl)cc1C(=O)Nc1cccc2c1CCN(C)C2 60115328 XTUBRSLWGBBXRG-UHFFFAOYSA-N 406.913 5.256 0 1 HKAF COc1ccc([C@@]23Cc4ccccc4[C@@H](O2)C2=C(CC4(CCCCC4)OC2=O)O3)cc1 66166166 OTRKBCCWZBKJFL-ZEQKJWHPSA-N 418.489 5.096 0 1 HKAF COc1cc(-c2ccc(N[C@@H](C)c3ccc(F)cc3)nc2)ccc1-c1ccnc(C)c1 72177159 OHVTZEBCMPVYRS-SFHVURJKSA-N 413.496 6.440 0 1 HKAF Cc1nc(-c2cnc(N(C)CC(C)C)nc2-c2ccc(-c3ccccc3)cc2)oc1C 82176419 OYDUWDGQSRWFMZ-UHFFFAOYSA-N 412.537 6.175 0 1 HKAF CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(F)cc2F)cs1 82193564 ONUBNZDLJDLFOU-QRWLVFNGSA-N 421.557 5.390 0 1 HKAF CCCCCNC(=O)[C@H](CC(C)C)Nc1nc(-c2cccc3ccccc23)cs1 82197871 JYTWEMQXGAQPHF-NRFANRHFSA-N 409.599 6.096 0 1 HKAF Cc1ccc2c(c1CC[C@H]1[C@@H](C)CC[C@H]3C(C)(C)CCC[C@]13C)Cc1cccc(C)c1-2 85936483 DQYXIJBICUCXCT-RESSEFRUSA-N 414.677 8.686 0 1 HKAF C[C@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c3ccc(Cl)cc3)c2c1 95554534 WFJQPGXKJLYABF-LBPRGKRZSA-N 412.272 5.978 0 1 HKAF Clc1ccc(-c2nc([C@H]3CC(c4ccccc4)=NN3c3ccccc3)no2)cc1 96914453 KZIPRSQHFKUGDR-OAQYLSRUSA-N 400.869 5.746 0 1 HKAF CCOC(=O)c1[nH]cc2nc3ccc(OCc4cccc5ccccc45)cc3c-2c1CC 100806151 MAMCCEALLBBOGS-UHFFFAOYSA-N 424.500 6.139 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccc(Cl)cc2)cc1)C3 100810868 VPTOTYACZAFVTR-JQKMNNDYSA-N 421.968 5.684 0 1 HKAF COc1ccccc1N1CCN([C@H]2CC[C@H](c3c[nH]c4ccc(F)cc43)CC2)CC1 101008347 PXPDZPCPTSKVAX-PUZFROQSSA-N 407.533 5.164 0 1 HKAF COc1cccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)cnc2-c2cccnc2)c1 103234698 DTNUVBAESWSCAN-UHFFFAOYSA-N 423.516 5.366 0 1 HKAF CSc1nc(-c2ccnc(NC(=O)c3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1 140029816 YTUSPQSXAGPIOT-UHFFFAOYSA-N 404.470 5.252 0 1 HKAF CCC(CC)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 141369412 ODRAJQYBNQNYRL-LYLGZYPGSA-N 400.691 7.779 0 1 HKAF CNC[C@@H](C)c1ccc(-c2c(OC)cc(C)c3[nH]c(=O)c4sccc4c23)cc1F 149337694 JNLCSZJEPDANGR-CYBMUJFWSA-N 410.514 5.189 0 1 HKAF CC1=Nc2nc3ccccc3n2[C@H](c2ccco2)[C@H]1C(=O)Nc1ccc(F)c(Cl)c1 169724287 KYCWRDXLEJWCRP-VQTJNVASSA-N 422.847 5.372 0 1 HKAF CSc1ccccc1Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n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c1c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)ccc2c1CCCC2 586898205 MZFKXNRJOSDAOP-UHFFFAOYSA-N 400.322 5.852 0 1 HKAF O=C(O)c1cc(Br)cc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c12 586899115 UBKVWWLMSYDYLW-UHFFFAOYSA-N 409.239 5.063 0 1 HKAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(CO)cc2[nH]1 587018717 MHCKBZLVVYLHNM-UHFFFAOYSA-N 418.349 5.811 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(Cl)c(F)cc2[nH]1 587032758 BNXBANAFRGTKIR-AWEZNQCLSA-N 401.894 5.841 0 1 HKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4ccc(Br)nc4[nH]3)c2)cc1 587067455 ATQDSJUHLHLDGB-UHFFFAOYSA-N 414.690 5.200 0 1 HKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587070314 RYMVGFBNYSFQRI-ZETCQYMHSA-N 403.191 5.007 0 1 HKAF Cc1ccc(C)c2[nH]c([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)nc12 587141822 XMNGNTVNFVYVHL-QGZVFWFLSA-N 423.941 5.038 0 1 HKAF C[C@@]1(c2cc(Cl)cnc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336695 ZFVJLCBBCAZSIX-RXVVDRJESA-N 418.251 5.507 0 1 HKAF COc1cccc(/C=C/c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1 587363378 SHKNMMADGAJQAM-BUHFOSPRSA-N 407.469 6.836 0 1 HKAF COc1cccc(-c2cc(-c3cccc(CC(C)C)c3)nc3c2oc2ccccc23)c1 587365687 NVTBBPJGNGNAKA-UHFFFAOYSA-N 407.513 7.522 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1c(N)sc3c1CCCC3)O2 587384597 NEZUJCLZDNNRKO-XMMPIXPASA-N 422.525 5.148 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccc(OCc4cccc5ccccc45)c1)[C@@H](C2)C3=O 587442363 KIMXXOBCSPBQMH-RBJSKKJNSA-N 422.480 5.916 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(C)c(C)c4)nc4sccn14)[C@@H](C2)C3=O 587454201 VODSCNPQPHRDBJ-SBUREZEXSA-N 416.502 5.177 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1ccc(C(=O)OC)cc1)CC2=O 587476312 BFKQSCJFYBZNIU-DEOSSOPVSA-N 416.473 5.505 0 1 HKAF Cc1cc(-c2ccccc2[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F 587503560 HLNZPIHZBJNZTH-HHHXNRCGSA-N 400.493 6.561 0 1 HKAF Cc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(OCc2ccccc2)c1 587527876 ZDOOCJLQUBRDHD-MUUNZHRXSA-N 412.529 6.333 0 1 HKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)c1OC(F)F 587554150 HQMNQRALZIHYFE-GCJKJVERSA-N 412.388 5.313 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(F)cc2)o1 587570070 JZURBMMJPMDSOZ-ZJSXRUAMSA-N 402.377 5.494 0 1 HKAF Cc1ccc(-n2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c(C)c1 587577301 NACATASUWUMHFS-OZXSUGGESA-N 411.457 5.503 0 1 HKAF COc1ccc(-c2ccccc2)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594276 NWAPMEFDJNSDID-RPLLCQBOSA-N 424.452 5.771 0 1 HKAF CC(C)(C)Sc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606540 HZLGJHPPUMPJQN-BWKNWUBXSA-N 420.530 6.160 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1sccc1Oc1ccccc1 587615539 YBKZHMBWJTUWCO-REWPJTCUSA-N 416.454 5.949 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccsc2)nc1 587616922 HHDOMMIKWAUSFK-NFBKMPQASA-N 401.443 5.219 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1ccsc1 587616943 HPICPJCIHCWBAI-URXFXBBRSA-N 400.455 5.824 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(CCCCC3OCCO3)c(NC(=O)OC(C)(C)C)c2c1 587640609 BOFUNHJIOUOEBC-MRXNPFEDSA-N 416.562 6.114 0 1 HKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C1CCN(Cc2ccccc2)CC1 587660048 BMXJWBMGZMOXDF-UHFFFAOYSA-N 413.496 5.040 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(c3ccc(Cl)cc3)CC2)N1 587694351 GPDGLIXQWDGCQO-PCODGMICSA-N 422.769 6.329 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2Nc2ccccc2)N1 587749090 MVIQWIFDMZOYEW-PUCZYUMASA-N 403.339 5.372 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3cccs3)s2)N1 587851222 BHPVUJBIGBQOSY-XXFAHNHDSA-N 409.349 5.397 0 1 HKAF Cc1cccc(-c2csc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2)c1 587856291 XKOOJSGOZJWBMW-CWTRNNRKSA-N 417.347 5.644 0 1 HKAF C[C@H](c1nc2ccccc2s1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587857597 LDXFOALZSAIIAQ-HTGLOVNISA-N 419.363 5.751 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1ncc2c(n1)-c1ccccc1CCC2 587872387 WXAJASOIJDAPCP-UHFFFAOYSA-N 400.457 5.023 0 1 HKAF Fc1ccc2c(c1)-c1cc(n(-c3nc(-c4ccc(Cl)cc4)cc(C(F)F)n3)n1)O2 587874280 SSDAFLPDNBRUGE-UHFFFAOYSA-N 414.774 5.832 0 1 HKAF CCC[C@@H](c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)C(C)C 587955600 QWOUCERNTBIJIB-MRXNPFEDSA-N 403.448 6.374 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(c1ccccc1)C(C)(C)C 961776289 LPTBUANSTLEMAP-HHHXNRCGSA-N 420.597 6.128 0 1 HKAF COc1ccc([C@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1OCCC(C)C 962616816 BMZKPOVYTQQEOY-XDHUDOTRSA-N 413.558 5.103 0 1 HKAF CC[C@@]1([C@@H](C)c2ccccc2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962925067 PMPOSDBUVWSPIC-CIHKJSBTSA-N 417.505 5.192 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(-c3cccc(F)c3)nc3sccn23)N1 962951782 UWSCNKHKSQRIAP-AOMKIAJQSA-N 416.525 5.697 0 1 HKAF Cc1cccc(C)c1[C@@H]1CCC[C@]2(C1)c1ccsc1CCN2Cc1cccnc1 962997945 NCADZONGEGOQFA-GJZUVCINSA-N 402.607 6.371 0 1 HKAF COc1ccc(-c2cnc3cnc(-c4ccc(CNc5ccccc5)cc4)cn23)cc1 1857615489 OYQXWDWASCYHRR-UHFFFAOYSA-N 406.489 5.684 0 1 HKAF CC(=O)n1cc(C(=O)Nc2cc(C(=O)O)cc(C3CCCCC3)c2)c2ccccc21 1857749121 NCWGSOXIRYKTQG-UHFFFAOYSA-N 404.466 5.300 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@]3(O)CC[C@]21C 2356384833 CTEZGKJAIWCKTQ-FDGMWWKVSA-N 416.646 5.250 0 1 HKAF COc1cc2c(cc1CC=C(C)CCC=C(C)C)[C@H]1COc3cc(O)ccc3[C@@H]1O2 2356545375 RQUGKUQXWLYLSN-GJZUVCINSA-N 406.522 6.246 0 1 HKAF CC(C)C(=O)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356587322 HUEKQDSAUGWXNI-KQYVVLGISA-N 400.647 6.568 0 1 HKAF CC(C)C[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356663535 KYFQWFLHOZFGNN-KEMYGDCUSA-N 410.686 7.721 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356680006 PRISGQUOLDSJKP-DDONLKDOSA-N 400.691 7.779 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@@H]3C(=CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@H]2C1 2356682031 DHMXQDJRIWEARK-WVSSYAQUSA-N 410.686 7.987 0 1 HKAF CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)CC[C@]1(C)CC[C@H](C)C(=O)[C@@H]1C 2356696978 BXLHDWDVXHKFER-LZDHAAFVSA-N 406.950 5.783 0 1 HKAF CC[C@@H]1C(=O)C[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@]3(C)CC[C@H]3C(C)(C)CCC[C@]34C)[C@H]12 2356730291 VTXYKMSXQQAUAA-ZAKVSOMJSA-N 410.686 7.987 0 1 HKAF CS(=O)(=O)c1ccc(-c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)cc1 13477372 HMAFTAJBGHSKPN-UHFFFAOYSA-N 416.329 6.212 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 27213331 QASMLJURBZXYNW-WAJFAFBQSA-N 401.679 6.928 0 1 HKAF Cn1c(C(=O)N2CCCCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 28341191 OOCSSGMNPWJQRK-UHFFFAOYSA-N 414.336 5.687 0 1 HKAF Cc1sc(-c2cccc(F)c2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)O 28951979 QMNRUMKJGBLTDR-INIZCTEOSA-N 411.498 5.384 0 1 HKAF c1ccc(Cn2c(SCc3ccc4ccccc4c3)nnc2-c2ccsc2)cc1 28976807 WQYPWYBIWJEKST-UHFFFAOYSA-N 413.571 6.500 0 1 HKAF O=C(O)c1c(O)c(Cc2c[nH]c3ccc(Cl)cc23)nc2c(C(F)(F)F)cccc12 35087106 DERZXHSKJWMDBK-UHFFFAOYSA-N 420.774 5.383 0 1 HKAF C[C@H]1CN(c2ccc3[nH]cc(Sc4ccc(-c5cccs5)cc4)c3c2)C[C@@H](C)N1 45193954 JDIDICHNFFPIEN-CALCHBBNSA-N 419.619 6.234 0 1 HKAF O=C(Nc1ccccc1)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3 45285685 XQGIJHKNYXVEPO-VXQMPNGUSA-N 415.581 5.799 0 1 HKAF Cc1cc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)nc(C)c1Br 73160590 QAFCXKOWBDUYMW-INIZCTEOSA-N 415.715 5.032 0 1 HKAF CNc1nc2cnc(Nc3ccc(Oc4ccccc4)cc3)cc2n1Cc1ccco1 82081801 YOSAXAFVOMRNDF-UHFFFAOYSA-N 411.465 5.650 0 1 HKAF O[C@@H](c1cccc(C(F)(F)F)c1)c1nnc(Nc2ccc(F)c(Cl)c2)s1 82083278 VFXCTDIFSNKDDI-ZDUSSCGKSA-N 403.788 5.175 0 1 HKAF Cc1ccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3ccco3)n2)cc1 82166406 RXPGOZUBDCDDOA-UHFFFAOYSA-N 412.518 5.976 0 1 HKAF O[C@H](CCn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21 84689942 CDMWFSVDIMSKDS-HXUWFJFHSA-N 404.513 6.354 0 1 HKAF COc1ccc(-c2nn(-c3ccccc3)cc2-c2cc(C)nn2-c2ccccc2)cc1 98082318 VQNVALWKNATBEW-UHFFFAOYSA-N 406.489 5.709 0 1 HKAF CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc(C(C)C)cc1 100703937 FIZVZDWWVITWMY-SFHVURJKSA-N 423.582 6.268 0 1 HKAF CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C)cc2)C2=C(O)CC(C)(C)CC2=N1 103520855 UYLMFTBMHPZEQB-XMMPIXPASA-N 415.533 6.183 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913641 HWOOALPDOJHOPO-BQCAJJJHSA-N 402.663 6.648 0 1 HKAF endogenous,in-man CC(C)[C@H](C)CC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118937340 WOVIRZFRRNEFES-YWRHLCANSA-N 414.718 8.313 0 1 HKAF endogenous,in-man FC(F)(F)Oc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1 140182728 SAOAXGRPKDVTBO-UHFFFAOYSA-N 422.410 5.194 0 1 HKAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2c2ccc(-c3ccccc3)cc2)n1)C1CC1 142136940 JWZTXSLIYFEYNO-HRAATJIYSA-N 400.482 5.052 0 1 HKAF Cc1ccc(F)cc1[C@@H]1CCc2cc(Oc3ncc(C(=O)N(C)C)s3)ccc2O1 145506726 JSLQAVZAEALJHI-IBGZPJMESA-N 412.486 5.151 0 1 HKAF CC(C)CCC[C@H](C)/C=C\C[C@@H](C)CCCC/C=C\CC/C=C\CCCC(=O)O 169636543 PRGDQWKNVBYEKH-YZCCNLEISA-N 404.679 8.739 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@@H]1c1ccc(-c2ccccc2C)cc1 169728375 JKPRYYGLCUPJOU-JWQCQUIFSA-N 415.533 5.653 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@H]1c1ccc(-c2ccc(C)cc2)cc1 169728390 RURSCLVYCLIHPW-DQEYMECFSA-N 415.533 5.653 0 1 HKAF CCC(CC[C@@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)=C(C)C 255268849 STLJXSQSUAPXFX-NQLQORRMSA-N 412.702 8.089 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 257524852 QQWIMVRGPKFDGM-FTJHIESOSA-N 424.713 8.543 0 1 HKAF endogenous,in-man CC(C)c1ccc2c(c1)C(=O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)c1ccccc1 299836556 NKIAPGMBTZPDBZ-DOEKTCAHSA-N 403.566 5.891 0 1 HKAF C[C@@]12CC[C@H](O)C[C@H]1C[C@@H](OCc1ccccc1)[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@]21CO1 299847721 CDBFPAYYTGGOCC-JDXONAECSA-N 410.598 5.354 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@@H](O)C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 299873088 LNNXWNOUIHYAOR-BZYDGCPMSA-N 420.678 5.554 0 1 HKAF Cc1ccc(-n2ccnc2SCc2nc3cc(Cl)c(Cl)nc3[nH]2)c(C)c1 586966086 DHWRAIICCCXELV-UHFFFAOYSA-N 404.326 5.360 0 1 HKAF Cc1cc(Cc2nc3c(Br)cnc(Cl)c3[nH]2)ccc1Br 586977799 SOJWFWDEQQQNCC-UHFFFAOYSA-N 415.516 5.036 0 1 HKAF Cc1c(Cl)ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 587010508 BOQGGYSBOFDXET-UHFFFAOYSA-N 410.951 7.292 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c2)c1 587048398 ADMYDSFDJFKMKZ-UHFFFAOYSA-N 402.668 6.065 0 1 HKAF Cc1cnc2[nH]c([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc2c1 587055247 NRZPMMKQMNYYBF-ZDUSSCGKSA-N 414.292 6.505 0 1 HKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587061689 HPHCKPDICOFPFB-ZDUSSCGKSA-N 422.756 6.784 0 1 HKAF CCOC(=O)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1 587095432 YQHXXXFYMLCMNV-UHFFFAOYSA-N 402.294 5.444 0 1 HKAF Fc1cc(F)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1Br 587137906 RSLNENSVICWXQI-UHFFFAOYSA-N 423.442 5.082 0 1 HKAF Cc1nc2[nH]c(-c3cccc(NC(=O)CC(C)(C)C)c3)nc2cc1Br 587242001 NGCOBCFXKSYLTK-UHFFFAOYSA-N 401.308 5.071 0 1 HKAF COc1cccc(-c2cc(-c3ccc4ncsc4c3)nc3c2oc2ccccc23)c1 587365079 ASVMCNDYUOALFU-UHFFFAOYSA-N 408.482 6.933 0 1 HKAF COc1cccc(-c2c(C)c(-c3ccc(C(=O)O)cc3)nc3c2oc2ccccc23)c1 587365894 KNYZUOUUQBNOOK-UHFFFAOYSA-N 409.441 6.330 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(Cl)cc4)cc4ccccn14)[C@@H](C2)C3=O 587422512 QJHYQOQOQODQJV-CPJSRVTESA-N 415.876 5.757 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4ccc(Cl)cc4F)s1)[C@@H](C2)C3=O 587426002 JXLKKOJDEDQMSK-OYHNWAKOSA-N 414.885 5.879 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(CSCc4ccco4)c1)[C@@H](C2)C3=O 587454333 YFMCTRCXDUFXDF-CYFREDJKSA-N 422.502 5.219 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(OCC)c(OCC)cc1Cl)CC2=O 587462260 WVEOWDKQRPGQHK-IBGZPJMESA-N 404.890 5.502 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(F)cc3)nc3sccn13)CC2=O 587469692 BXKZTKFJZAHVEB-LJQANCHMSA-N 422.481 5.567 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1nc(C(C)C)cs1)CC2=O 587496685 ZXXNUTYBHJFNKJ-XMMPIXPASA-N 407.535 5.834 0 1 HKAF CC(=O)c1ccc([C@@]2(C(=O)c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520888 CIEZCWTZKQOGQW-MUUNZHRXSA-N 424.496 5.512 0 1 HKAF C[C@]1(c2cccc(Cl)c2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545789 PMCDOYZPMOYHKQ-LAUBAEHRSA-N 401.245 5.576 0 1 HKAF Cc1ccc(C)c(-n2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 587574166 AVJDRKCLCQMXEQ-BVAGGSTKSA-N 411.457 5.503 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3cnn(-c4ccccc4)c3C)c(C(=O)C(=O)OC)c2c1 587641458 FZSYVMUHZUXJBN-OAHLLOKOSA-N 415.493 5.198 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OC(F)(F)F)cc2)N1 587714532 ACYLBNMWKYZGER-DYZYQPBXSA-N 418.228 5.285 0 1 HKAF CC[C@]1(c2c(F)cc(F)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587721711 QFUJRPXHAODETO-LZVRBXCZSA-N 402.229 5.193 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3cccc(F)c3)no2)N1 587727704 CCXZKIMRBUMEGO-DGIBIBHMSA-N 405.242 5.006 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCSc2ccc(F)cc2)N1 587732588 NDZOXONZFGKFGE-BUXKBTBVSA-N 412.343 5.659 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC=C(NNc3ccccc3)C2)N1 587750241 RZFJSFMSMKKNOK-SPLOXXLWSA-N 416.338 5.002 0 1 HKAF Cc1nn(-c2ccccc2)c(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587753163 ABPRQQDCAATDPL-QKVFXAPYSA-N 414.322 5.014 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccncc2)N1 587778926 OYFRDUDNNSEFPF-QRQCRPRQSA-N 411.318 5.004 0 1 HKAF CCC[C@@H](CC1(c2nc3cc(C)cc(F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781669 MLBMYKVFNFWYKR-FQEVSTJZSA-N 422.544 6.372 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(C=O)c2)(C2CCCC2)N1 587819124 LGBRJXFEMBDXES-RCDICMHDSA-N 416.334 5.369 0 1 HKAF Cc1ccc([C@]2(c3ccco3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587827272 JFYNXCABXYWQEI-IVZQSRNASA-N 414.318 5.624 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSCc1ccccc1 587859496 JUPQIJMZXKIEMT-UHFFFAOYSA-N 421.349 5.829 0 1 HKAF CCCn1c(-n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)nc2ccccc21 587866120 SYBMIAJUIRMXSU-UHFFFAOYSA-N 414.431 5.717 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(C)[C@@]12C[C@@H]3C[C@H]1C[C@@H](C3)C2 961752109 UXQKCWOXXFHDOE-UVNIMXNXSA-N 422.613 5.879 0 1 HKAF O=C(O)CC[C@@]1(c2ccc(C(F)(F)F)cc2)NCCc2c(Cl)cc(Cl)cc21 963118342 FMGLDRIKKLNEHE-SFHVURJKSA-N 418.242 5.266 0 1 HKAF COc1ccccc1-c1cc(CN2CCN(c3ccccc3OC)CC2)ccc1Cl 1772639063 APJODNDBBZDIBK-UHFFFAOYSA-N 422.956 5.346 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356504508 UROPIWALBBMYRP-HITMJRIKSA-N 420.678 5.554 0 1 HKAF C[C@@H](C=C[C@@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)(C)C 2356549619 BTEISVKTSQLKST-CYUFRWQGSA-N 410.686 7.721 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@]34C[C@H](CC[C@H]32)[C@@](CO)(OC)C4)C1(C)C 2356672703 URSQOXNVGMLBOM-BOFFOEFUSA-N 418.618 5.285 0 1 HKAF CC(C)=CCC[C@H](CO)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356762770 SQUDFJUCUDJIJT-PCDUZEELSA-N 416.646 5.252 0 1 HKAF Nc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccc(Oc2ccccc2)cc1 95598999 FQMYXCFXFKWUCK-UHFFFAOYSA-N 403.869 5.193 0 3 HKAF COc1c2c(cc(O)c1-c1c(C)cc(OC)c3c(OC)cccc13)C[C@H](C)N=C2C 13359285 XMOJFRYAKHSQFO-AWEZNQCLSA-N 405.494 5.300 0 1 HKAF biogenic,in-vitro O=C(O)CC/C=C\C[C@@H]1CO[C@H](c2ccc3ccccc3c2)O[C@@H]1c1cccnc1 13740459 QILXQJUTHTWRNC-LDUYPKPCSA-N 403.478 5.449 0 1 HKAF Clc1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)c(-c3ccncc3)[nH]2)cc1 26575816 QXROCLPRKWUYBA-UHFFFAOYSA-N 407.904 7.126 0 1 HKAF CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccc(Cl)cc2)c2ccccc21 27099273 XBTFKEVZITXNIQ-OSPHWJPCSA-N 418.924 5.873 0 1 HKAF CCCCN(CCCC)CCCOc1ccc(/C=C/c2nc3ccccc3[nH]2)cc1 29477111 DRPJNEPEWZNMPX-SAPNQHFASA-N 405.586 6.404 0 1 HKAF Fc1ccc(-c2ccc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)[nH]2)cc1 29560023 QLTKTGNZPRTRJR-UHFFFAOYSA-N 403.423 5.162 0 1 HKAF Cc1ccc(-c2c(CN)c(CC(C)C)nc3ccc(OCCCCC(=O)O)cc23)cc1 38798424 PEGVEDZUHHLCFU-UHFFFAOYSA-N 420.553 5.501 0 1 HKAF CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Nc1cccc(OC)c1 40412977 SFCUYXXFEDZGAP-JOCHJYFZSA-N 416.565 6.380 0 1 HKAF CCCCc1ccc(Nc2noc3c(C(=O)Nc4cncnc4)c(Cl)ccc23)cc1 40423976 QVIYCFZMWZZTGW-UHFFFAOYSA-N 421.888 5.610 0 1 HKAF C=C1/C(=C\C=C2/CCC[C@]3(C)[C@H]([C@@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O 40620101 GMRQFYUYWCNGIN-KJCLCWDCSA-N 416.646 5.705 0 1 HKAF CC[C@H](C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 78278181 IUXWFWQWKZBGFL-ZRUUVFCLSA-N 400.691 7.779 0 1 HKAF COc1cc2nc(NCC3CCCCC3)nc(NCC3CCCCC3)c2cc1OC 82125170 QVBCPURXMJFCOZ-UHFFFAOYSA-N 412.578 5.631 0 1 HKAF CCCCCNC(=O)[C@@H](Nc1nc(-c2ccc3ccccc3c2)cs1)[C@@H](C)CC 82195235 AOLNWQLBSJRKNU-JTSKRJEESA-N 409.599 6.096 0 1 HKAF O=C(NCc1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc3cccnc3n2)cc1 95580531 ANDGFDRZMQRIEG-UHFFFAOYSA-N 415.496 5.894 0 1 HKAF O=C(O)CCCOc1ccc(/C(=C/CCc2ccccc2)c2ccc(O)cc2)cc1 95607348 GRKHQZLZCXDJEG-YCPBAFNGSA-N 402.490 5.700 0 1 HKAF Nc1c2c(nc3c1[C@@H](c1cccc(F)c1)c1c(c4ccccc4oc1=O)O3)CCCC2 96284176 JSMOJRVVJOBNCY-LJQANCHMSA-N 414.436 5.074 0 1 HKAF CC(=O)c1ccc(-n2nc(C(C)=O)c(C(=O)c3ccccc3)c2-c2ccccc2)cc1 103272403 YCLNTEONGJZBHW-UHFFFAOYSA-N 408.457 5.176 0 1 HKAF C[C@H]([C@@H](O)CCC1CC1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118932653 HNXXYUFJNVUPGA-UWFLXZCYSA-N 400.647 6.114 0 1 HKAF CCOc1ccc(Cc2nc3cc(C(F)(F)F)ccc3n2CCN(CC)CC)cc1 141873321 FMHDMSQIEOXBJU-UHFFFAOYSA-N 419.491 5.386 0 1 HKAF C[C@H]1CCC2=C(C1)c1c(O)cc([C@@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C 142002931 LMZMEMKXSLGEMN-ROUUACIJSA-N 408.557 7.402 0 1 HKAF C[C@@H]1CCC[C@@H](C)N1CCCCCN1C(=O)[C@H](c2ccccc2)Oc2ccccc21 169318439 BWAAOARPNKBGHD-OTPAQWSUSA-N 406.570 5.587 0 1 HKAF O=C1Nc2ccc(-c3csc(-c4ccccc4)n3)cc2/C1=C/c1cc2c([nH]1)CCCC2 221764136 QEADQKBDGGOERB-STZFKDTASA-N 423.541 6.177 0 1 HKAF C/C=C(/C)C(=O)O[C@H]1C[C@H]2Cc3occ(C)c3C[C@]2(C)[C@@H](C)[C@@H]1OC(=O)C=C(C)C 238766894 IDAAXBSMDRZVPD-SBCVYEJQSA-N 414.542 5.105 0 1 HKAF O=C(O)C1=CC[C@@H]2C[C@H]3[C@H](CC[C@H](O)/C=C\C=C\c4ccccc4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 238789668 ROFUKMLUAVIQAH-GHZYNQGOSA-N 402.534 5.112 0 1 HKAF CCC(CC)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255251639 ODRAJQYBNQNYRL-PFFXYVGDSA-N 400.691 7.779 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 255264444 SGNBVLSWZMBQTH-OGODEPLASA-N 400.691 7.635 0 1 HKAF COc1ccc2c(C)c(CCc3nc4cc(Cl)c(F)c(F)c4[nH]3)c(=O)oc2c1C 586918460 LIJZLOASTNGYIH-UHFFFAOYSA-N 418.827 5.012 0 1 HKAF FC(F)(F)c1nc(Cl)[nH]c2nc(-c3cc(Br)ccc3Cl)nc1-2 586980082 HYQBIGFWSPCDFT-UHFFFAOYSA-N 411.996 5.060 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@@H](NC(=O)OCc1ccccc1)C4)-c1ccccc1C2=O 586995043 DIGUWYZTIGMECL-NRFANRHFSA-N 420.468 5.278 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587011482 HQACJHCZVOQDQD-UHFFFAOYSA-N 424.957 5.147 0 1 HKAF Nc1c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)sc2cc(Br)ccc12 587031016 KXMRMFKISLNMPJ-UHFFFAOYSA-N 414.115 5.491 0 1 HKAF COC(=O)c1ccc2nc(-c3ccc(-c4cccc(OC)c4)cc3Cl)[nH]c2c1OC 587052000 IXSQYMRHDOCQCY-UHFFFAOYSA-N 422.868 5.354 0 1 HKAF CC(C)Oc1ccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2c1 587060461 MNSUESAJJBDWCR-UHFFFAOYSA-N 413.908 6.886 0 1 HKAF CC(C)(C)c1ccc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2n1 587069846 FQQZVMICWDUQMD-UZLQEQFISA-N 414.380 6.928 0 1 HKAF COc1cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1F 587070353 HVFSBHAVVYSIQF-YFHOEESVSA-N 408.860 6.113 0 1 HKAF Fc1cc2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)[nH]c2cc1Cl 587114716 XOPYLDPXUTXYIQ-UHFFFAOYSA-N 406.766 6.834 0 1 HKAF CC1(C)Cc2ccc(Cl)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587327632 HGDKDLONWVAGGT-WIOPSUGQSA-N 422.883 6.021 0 1 HKAF O=C1c2ccc(O)cc2OC2(CC(c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1 587335434 WUIYFZVREJQQSK-OOEWLZKVSA-N 408.856 5.860 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](n2cncn2)C[C@H](C)C3)c1 587361981 AAIZSYIBDZRKMX-QRWLVFNGSA-N 410.477 5.420 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(F)cc3)nc3cc(C)ccn13)O2 587384573 MTLHTCUOIJNYMQ-HXUWFJFHSA-N 401.441 5.046 0 1 HKAF CC[C@]1(c2ccc(Cl)c(Br)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414130 SNUQXQYYNPYKGP-BFUOFWGJSA-N 407.691 5.164 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)([C@@H](O)c1ccccc1)CC2=O 587463570 VTGJGLVDGOCVCV-LOSJGSFVSA-N 422.908 5.592 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccccc2N[C@H]1c1ccccc1 587484757 NMBLKUCPEAXQMQ-AHWVRZQESA-N 413.473 5.098 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(C(C)(C)C)[nH]c3c(CC)cccc13)CC2=O 587488219 ZZOLAMYBFOGMIW-NRFANRHFSA-N 405.538 6.392 0 1 HKAF Cc1oc(-c2ccc(Cl)cc2)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587499912 JYCWQJYPNACEKI-RUZDIDTESA-N 406.909 6.668 0 1 HKAF O=C1C[C@@H](c2cc(F)ccc2Oc2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587500216 AFBNGMKIPSFGHR-DEOSSOPVSA-N 406.428 6.342 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cccc21 587512546 FBIXUHUJJUUTGN-HSZRJFAPSA-N 419.521 5.570 0 1 HKAF Cc1nc(Cc2ccccc2)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587531891 NHPGFQGINJWYSG-RUZDIDTESA-N 403.547 5.802 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cccc1N1CCCC1 587547936 VJVQUJZHECOMST-XUZZJYLKSA-N 421.880 5.349 0 1 HKAF CCOC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2ccc([C@@H](C)CC)cc12 587638615 GEOHHTXJLAVFNN-AWEZNQCLSA-N 414.343 6.217 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccco2)N1 587700092 LQMOADNFGRUFBZ-FKIZINRSSA-N 420.709 5.661 0 1 HKAF CC[C@]1(c2c(F)ccc(F)c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587716239 JNRXDAATPVQASQ-LZVRBXCZSA-N 402.229 5.193 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)ccc2F)N1 587716261 ZDEIGOMGOYMJQT-VPTHRUTESA-N 406.192 5.370 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(OCC3CC3)c2)N1 587718330 MYNCFYLUFFMEOR-YBTHPKLGSA-N 408.286 5.140 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ncccc3F)o2)N1 587726219 HPFWTYDCJSDRPU-OVWNDWIMSA-N 405.242 5.006 0 1 HKAF CCCCCCOc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587790008 DPYWXRSCBFZZFI-OYHNWAKOSA-N 420.366 6.171 0 1 HKAF CCOc1ccc(OCC)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587803523 WWMXSNJAXSNEGZ-FKIZINRSSA-N 408.311 5.009 0 1 HKAF COc1ccc2[nH]c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C)c2c1 587806056 UNAWVDRZEBAEKI-SBKAZYGRSA-N 403.295 5.010 0 1 HKAF Cc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 587820963 RQQCZBGRIAGHHV-IQMFZBJNSA-N 410.330 6.187 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(c2ccccc2)c2ccccc2)N1 587821507 VDLONVHJFCNHQH-CMJOXMDJSA-N 410.330 5.996 0 1 HKAF CCc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)oc2ccccc12 587825903 BRXWMESFJVMQDV-GTJPDFRWSA-N 402.307 5.695 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccccc1-c1ccccc12 587828614 PDMMJRFNYASRHC-JCQPUDPBSA-N 422.297 5.229 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3cccs3)n2)N1 587853757 RKDPZYBSULFWLY-XXFAHNHDSA-N 409.349 5.397 0 1 HKAF CC(C)c1ccc(-c2cc(O)n(-c3cc(Cl)cc(Br)c3)c2O)cc1 587941116 POZZADDEUJQGAI-UHFFFAOYSA-N 406.707 6.095 0 1 HKAF Cc1c(Br)cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1C 587955427 IWGPQWRUBHPOOF-LJQANCHMSA-N 405.339 6.317 0 1 HKAF Clc1ccc(COc2nc(NCc3ccco3)c3ccccc3n2)c(Cl)c1 653765632 YJTVVYPPFPPOJH-UHFFFAOYSA-N 400.265 5.721 0 1 HKAF Cc1ccc(C2=C[C@@]3(NCCc4cc(C)c(F)cc43)c3cc(Cl)c(C)cc3O2)cc1 962295232 CLKQKOTUAVXYJU-SANMLTNESA-N 419.927 6.227 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]12CC(C)(C)Oc1ccc(Br)cc12 963233251 SUVXSIIMIZZJLV-WAIKUNEKSA-N 414.387 5.910 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccccc1)c1cc2cccc(OC)c2o1 963234844 VSZHPJFIWVRPOV-NGOKVRLYSA-N 411.545 6.390 0 1 HKAF CCC1=C(C)C2=C(C)c3c(C)c(CC)c(/C=C/c4ccc(O)cc4)n3[B-](F)(F)[N+]2=C1C 1772593842 LJKRNESOLUQXQG-SDNWHVSQSA-N 422.328 6.416 0 1 HKAF N=C(N)c1ccc2[nH]c(-c3ccc(Oc4ccnc5cc(Cl)ccc45)cc3)nc2c1 1857537956 APRPLBBIVOYJQU-UHFFFAOYSA-N 413.868 5.508 0 1 HKAF FC(F)(F)Oc1ccc(Nc2cc(C(F)(F)F)cc3nc4ccccc4n23)cc1 1857566881 LJXOHNKSBUGFRH-UHFFFAOYSA-N 411.305 6.149 0 1 HKAF Oc1cccc(-c2cc3c(O[C@H](c4ccccc4)C(F)(F)F)ncnc3s2)c1 1857752558 ALTRFVUHNMQWQQ-QGZVFWFLSA-N 402.397 5.746 0 1 HKAF CC(=CCc1cc(O)c(C)c(C)c1O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 2356389374 SUFZKUBNOVDJRR-FGZHOGPDSA-N 416.690 8.643 0 1 HKAF COc1cc2c(c(-c3c(C)cc(OC)c4c(OC)cccc34)c1O)C[C@H](C)N[C@@H]2C 2356661220 UFIFXCNIBQABEQ-LSDHHAIUSA-N 407.510 5.142 0 1 HKAF COc1cc(O)c(CC=C(C)CCC=C(C)C)c2c1[C@H]1Oc3cc(O)ccc3[C@@H]1CO2 2356697135 KQOZBCGTGONGDN-FNZWTVRRSA-N 422.521 5.951 0 1 HKAF Cc1cc(O)cc2c1O[C@](C)(CC1=C[C@]3(C)CCC[C@@]3(C)[C@@]3(C=CC(C)(C)O3)C1)CC2 2356808507 YWIBFTSPRRZAAQ-YVHASNINSA-N 422.609 6.805 0 1 HKAF CC(C)c1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 774950 AKOHLYKIBYNFQB-NHCUHLMSSA-N 422.500 5.304 0 1 HKAF O=C(O)CCCCCCCCN1C(=O)[C@H](c2ccccc2)N(c2ccccc2)C1=O 3790050 JJFHTUZAYUEGQL-QFIPXVFZSA-N 408.498 5.012 0 1 HKAF C/C(=C/C=C/C(C)=C/C(=O)O)c1cc(C(C)C)cc(C(C)C)c1OCC(F)(F)F 13522234 UTRWSQUYKCUPGE-BZIVGMQQSA-N 410.476 6.865 0 1 HKAF O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2cncc3ccccc23)CC1 13528863 HTCLUGKNEGLSGK-UHFFFAOYSA-N 424.504 5.381 0 1 HKAF CC(C)Oc1cccc(-n2c(/C=C/c3c[nH]c4ccccc34)nc3ccccc3c2=O)c1 13725280 IORYZIDLVVCYMG-CCEZHUSRSA-N 421.500 5.825 0 1 HKAF CC[C@H](c1cccc(O)c1)[C@@H]1C(=O)C[C@@](c2ccccc2)(C2CCCCC2)OC1=O 13760321 JXKOPEXDLNDGCC-QIGHUWCUSA-N 406.522 5.494 0 1 HKAF CC(C)=CCC[C@]1(C)C=Cc2c(ccc3c2OC[C@H](c2cc4c(cc2O)OCO4)C3)O1 14614046 CBOJKMZBEYAWFP-WXTAPIANSA-N 420.505 5.750 0 1 HKAF biogenic CCc1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccc3c(c2)n(C)c(=O)n3C)cc1 14958506 LXTITNUUSMGALH-UHFFFAOYSA-N 414.534 5.225 0 1 HKAF CCOC(=O)N1C(=S)N=C(C)/C(=C(/O)OCC)[C@H]1c1cccc(Cl)c1Cl 26578428 ZDUFPHWRWAGROF-FQZGENGWSA-N 417.314 5.059 0 1 HKAF Clc1ccc(-c2cc(-c3cccc(Br)c3)c(-c3ccncc3)[nH]2)cc1 27714167 DKZILDKFHNFIHZ-UHFFFAOYSA-N 409.714 6.827 0 1 HKAF Cc1ccc(Nc2ccc(CCc3ccc(Cl)c(Cl)c3)cc2)c(C(=O)O)c1 40934451 BWXOOVKBHPKGEV-UHFFFAOYSA-N 400.305 6.529 0 1 HKAF CC(C)(C)OC(=O)NCCCC(=O)Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C 45350490 FCPPXPLCFGKFSA-UHFFFAOYSA-N 407.551 5.198 0 1 HKAF COc1ccc(/C=C/c2cccc(/C=C/c3ccc(OC)c(OC)c3)c2)cc1OC 49111588 YHUHHWLPMHNSOR-GFULKKFKSA-N 402.490 6.062 0 1 HKAF CCCCCC(=O)Nc1ccc2c(c1)[C@](C)(c1ccccc1)CC(C)(C)N2C(C)=O 59084280 AKCRNEXLYOWYDS-SANMLTNESA-N 406.570 6.047 0 1 HKAF CCc1nc(-c2ccc(OC(F)(F)F)cc2OC)c(CC)nc1NC(CC)CC 72176576 MDSPZTORNYELFQ-UHFFFAOYSA-N 411.468 5.776 0 1 HKAF CN(C)c1cccc([C@@H](O)c2nnc(Nc3cccc(Oc4ccccc4)c3)s2)c1 82078381 GZAYKXOSCSVUGD-OAQYLSRUSA-N 418.522 5.222 0 1 HKAF CC(C)(C)OC(=O)CN(Cc1ccc(Cl)cc1)Cc1nc2ccccc2s1 84689542 FMKTZHMCWWIIJU-UHFFFAOYSA-N 402.947 5.294 0 1 HKAF CO[C@@H]1Cc2sc(Cc3ccccc3)cc2C2(CCN(Cc3ccccc3)CC2)O1 84757185 GNCXDMQNSJBOLZ-VWLOTQADSA-N 419.590 5.375 0 1 HKAF COc1cc2c(cc1OC)CN(Cc1coc(-c3ccc4ccccc4c3)n1)CC2 95591165 IQVWYCBUDUURHF-UHFFFAOYSA-N 400.478 5.070 0 1 HKAF CC1=C(c2ncnn2C2CCC2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nc(C)cc2N1 101668710 PFFJHPRIJUZLHG-LJQANCHMSA-N 415.328 5.261 0 1 HKAF Cc1c(CSc2ccccc2)oc2cccc(OCCNCc3cccnc3)c12 103277973 PYSJKGKPJBUYQS-UHFFFAOYSA-N 404.535 5.597 0 1 HKAF CCOc1cc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccc4ncccc4c32)ccc1O 104049989 LHSCXQUFHOHRIK-HSZRJFAPSA-N 414.505 6.189 0 1 HKAF C[C@H](O)c1ccccc1-c1ccc2[nH]c(/C=C/c3ccc(C(F)(F)F)cc3)nc2c1 117134395 WDSYYVXPVIETFO-NRUITVPNSA-N 408.423 6.472 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 119250334 VETZNBAGZJYCQT-ORNLXYCVSA-N 414.674 7.102 0 1 HKAF in-man C[C@H](C1=NC[C@H](C)CC1=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137919804 PFDDAGIZOOZFQC-WJWQRCBCSA-N 413.646 5.692 0 1 HKAF c1ccc(-c2cccc(-c3nccnc3C3CN(c4ccc5ccccc5n4)C3)c2)cc1 140178721 VTQRMJOGHSCBSR-UHFFFAOYSA-N 414.512 5.963 0 1 HKAF O=C1N(c2ccc3scc(C(F)(F)F)c3c2)CCN1c1cnccc1C1CC1 143958800 FMJYEAUWTAISFT-UHFFFAOYSA-N 403.429 5.639 0 1 HKAF O=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccc(OC(F)(F)F)cc3)nc2c1 144418108 RNJUKBASIDVHNM-UHFFFAOYSA-N 410.351 5.561 0 1 HKAF c1ccc(CN2[C@@H](c3ccccc3)C3=C(NO[C@@H]3c3ccco3)[C@H]3CCCC[C@H]32)cc1 195495958 DGPSOURKQBTBED-HXABMTEBSA-N 412.533 5.926 0 1 HKAF CSc1ccc2c(c1)Sc1cc3ccccc3nc1N2CC[C@@H]1CCCCN1C 205842834 CBPOTCMOKVQMII-SFHVURJKSA-N 421.635 6.434 0 1 HKAF COc1cccc(F)c1-c1cc(Cl)cc([C@H](CC(=O)O)c2ncc(C)s2)c1 219434846 IZRIGZGQJXEOTP-HNNXBMFYSA-N 405.878 5.526 0 1 HKAF COc1ccc(-c2cc(-c3ccccc3)nc(NC[C@H]3CC[C@H](C(=O)O)CC3)n2)cc1 299830841 YFUMDMHYDJBKLH-IRJFHVNHSA-N 417.509 5.122 0 1 HKAF COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(C[C@H]2CCCC[C@H]2C)CC1 299857920 FSZQXBYUVRKUIV-SJLPKXTDSA-N 406.998 5.432 0 1 HKAF Clc1cccc(CN2CCC(NCCCCCCn3ccc4ccccc43)CC2)c1 299869017 SZEUNMXCEYPGMI-UHFFFAOYSA-N 424.032 6.109 0 1 HKAF COc1cc(-n2ccc3c(Cl)cccc32)cc2c1OCCN(Cc1cccnc1)C2 473132681 UADYSTWHRYWLOV-UHFFFAOYSA-N 419.912 5.082 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(CCCCc4cccc(O)c4)[nH]c3c2)cc1 586896062 IKJZMNURKWYHNC-UHFFFAOYSA-N 416.477 5.413 0 1 HKAF FC(F)(F)c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586985560 OIYYBBTVZBGNIL-QGZVFWFLSA-N 424.264 5.529 0 1 HKAF O=C(O)c1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2cc1F 587015225 HCYVWIKYAGKZIL-UHFFFAOYSA-N 408.241 5.498 0 1 HKAF N[C@@H](N=O)c1ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c1 587015233 HRQFVXTXIQITAO-HNNXBMFYSA-N 404.282 5.384 0 1 HKAF Fc1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1F 587018000 SVEDMJONOJUHKN-UHFFFAOYSA-N 412.284 5.379 0 1 HKAF CC(C)Oc1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2cc1Br 587037862 ZQMWSRWGANVORP-MRXNPFEDSA-N 407.333 5.031 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(COc3ccccc3C3SCCS3)nc2c1 587042430 UBYVJEHQBKKOLU-UHFFFAOYSA-N 420.943 5.061 0 1 HKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(Br)c(C)c2[nH]1 587044635 JUNNFDFXRPRRCL-UHFFFAOYSA-N 416.102 5.625 0 1 HKAF C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccc(O)c2[nH]1 587054315 JRGXKQNUBFZBNZ-LBPRGKRZSA-N 415.276 6.508 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@H]1C[C@H]4CN1C(=O)OC(C)(C)C)-c1ccccc1C2=O 587098002 RSMJZXIGEPFOHI-KBXCAEBGSA-N 412.489 5.534 0 1 HKAF Cc1ccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2n1 587111768 OVJARFAITCYXOH-UHFFFAOYSA-N 421.344 6.638 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c(Cl)c2)cc1F 587146101 ZNTFNZJTDDDJFK-UHFFFAOYSA-N 405.687 7.305 0 1 HKAF CC(C)COc1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c2cc1Br 587160963 JEKJGAYVBACJDS-HUUCEWRRSA-N 403.295 5.770 0 1 HKAF Oc1ccc(CCCc2c(CCc3ccc(O)cc3)nc3cccc4c3c2CC4)cc1 587215274 DVGWIJUIVAUHBV-UHFFFAOYSA-N 409.529 5.705 0 1 HKAF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl 587324881 ARFIGOMQGUFXQW-FYYLOGMGSA-N 412.844 5.468 0 1 HKAF Cc1ccc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2c1 587349807 CSRCDQDDQXLBQH-BDYUSTAISA-N 412.460 6.267 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Oc4ccc(F)c(F)c4)cc1)[C@@H](C2)C3=O 587426387 MLUWCMQPRFRSFY-UUOWRZLLSA-N 408.400 5.429 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1cc(C)ccc1O)(c1ccccc1Cl)CC2=O 587459816 DRJWEVWKWYEALV-RUZDIDTESA-N 422.908 5.921 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(F)cc(Br)cc1F)CC2=O 587465015 DZVSIAAWJBRFAT-LJQANCHMSA-N 411.242 5.266 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(C)c(C)cc1C)CC2=O 587489223 NPKSFMHUDJNZGV-MHZLTWQESA-N 400.518 6.179 0 1 HKAF O=C1C[C@H](c2cccc(F)c2I)Oc2c1ccc1c2CCCC1 587507687 RTYOYEKJFZPDSY-QGZVFWFLSA-N 422.237 5.016 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)nc1Cl 587555945 MSHYAFYBSMDOQI-YJBOKZPZSA-N 421.758 5.162 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1F)C1CCCC1 587568132 LDCXWXSKEQVHLE-RCZVLFRGSA-N 404.437 5.579 0 1 HKAF CC(C)(C)OC(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587594896 LXXHNCNYGPEOPU-NZQKXSOJSA-N 418.445 5.050 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2ccc(O)cc2)c1 587613336 YOVQSFYZTRDXGQ-BVAGGSTKSA-N 410.425 5.468 0 1 HKAF C[C@]1(c2sccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614633 TXYLAFWKDLOSIK-KXBFYZLASA-N 417.280 5.093 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccc(Cl)cc3Cl)c2c1 587642363 RGXZZNRDGOVXME-LLVKDONJSA-N 404.293 6.006 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccc(Cl)c(Cl)c2)N1 587699869 YCSKNMAXYBCHBH-BCZPORGJSA-N 415.133 6.184 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)c(F)c2)N1 587710690 HDZIHEZRXVNRRN-BCTVWOGZSA-N 406.192 5.370 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)ccc(F)c2Cl)N1 587719177 KPZMKDUSZHTTDQ-QPFGOUBPSA-N 421.112 5.832 0 1 HKAF CC[C@]1(c2c(F)cccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587721746 QKSMZXMRFMOWTR-YPMLDQLKSA-N 400.694 5.569 0 1 HKAF CCOc1cc(OCC)cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587804400 ZFUCTPBWYCKXTN-ASSNKEHSSA-N 422.338 5.183 0 1 HKAF COc1ccc2[nH]c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C)c2c1 587806048 UNAWVDRZEBAEKI-CFMSYZGJSA-N 403.295 5.010 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](Oc3ccccc3)C2(C)C)N1 587806852 BGDJFNXKMANLRG-GQNMWPQZSA-N 404.323 5.195 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)COC(C)(C)O3)N1 587828870 ANUWSYDYBFIMBS-QKVFXAPYSA-N 420.322 5.031 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([C@H]3CCCCO3)s2)N1 587850277 YHCTWASZRZROSA-RWTORFTKSA-N 410.352 5.515 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1ccc2ccccc2c1 587864888 SEFYNOKUFJRBCU-UHFFFAOYSA-N 424.422 6.004 0 1 HKAF CSc1ccc(-c2ccc(C)n2-c2cnc3cc(Br)ccc3c2)cc1 587942073 YWXIOYXEAURQFO-UHFFFAOYSA-N 409.352 6.485 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cncnc2[nH]1 587959080 IYAWPJUHONVOHN-XSCOUVMYSA-N 404.602 7.207 0 1 HKAF Cc1cnc(Cl)nc1-c1ccc2c(c1)CC[C@H](C)[C@@H]2C(=O)c1ccc(O)cc1O 653667968 GXMWDEYADMNXAV-YUNKPMOVSA-N 408.885 5.065 0 1 HKAF Oc1nnc2c3c(-c4ccccc4)c(-c4ccccc4)n(C4CCCCC4)c3ncn12 653850719 ZSBSCZHWTIKQNU-UHFFFAOYSA-N 409.493 5.624 0 1 HKAF COc1cc2c(cc1OC)[C@@H](c1ccc(-c3cccc4ccccc34)o1)N(C)[C@H](C)C2 962624202 DTQQYCCQUAAPCC-CRYYWNKWSA-N 413.517 6.083 0 1 HKAF C[C@@H]1N(Cc2ccccc2)CCC[C@@]12c1cccc(F)c1CCN2[C@@H]1CCSC1 962718002 XIKFNCOIBCMURJ-HWHXTQLESA-N 410.602 5.069 0 1 HKAF CC(C)(C[C@H]1N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21)c1ccccc1 963178547 LPAXJFUUCVYQNB-ZWKOTPCHSA-N 411.851 5.367 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@]2(C)c1nc2ccccc2n1Cc1ccccc1 963260022 VQHPSWYHAGSMQP-VWLOTQADSA-N 417.940 5.156 0 1 HKAF COC[P@@](=O)(N[C@@H](C)C(=O)OCC(C)C)Oc1c(C(C)C)cccc1C(C)C 1772634505 FUSUZWALRVTAQL-HPGBDJQBSA-N 413.495 5.287 0 1 HKAF CCC=C(c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)n1ccnc1 1857535144 UZQZKENZESOLEQ-UHFFFAOYSA-N 407.728 6.722 0 1 HKAF Oc1ccccc1-c1cc2c(O[C@H](c3ccccc3)C(F)(F)F)ncnc2s1 1857749857 QHECFFLAUIBONV-QGZVFWFLSA-N 402.397 5.746 0 1 HKAF CC(C=CC[C@@H](C)C=C1OC(=O)C(C)=C1O)=CCCc1cocc1Cc1ccoc1 2356303432 UZEHIPVLZKLSFW-GOSISDBHSA-N 408.494 6.197 0 1 HKAF CC(=O)O[C@@H]1O[C@H](OC(C)=O)CC1=CC[C@@]1(C)[C@@H]2CCC=C(C)[C@@]2(C)CC[C@H]1C 2356404009 ZREAIEZMYZQUFC-SAMUPGQXSA-N 404.547 5.300 0 1 HKAF COc1c([C@@H](CC(C)C)OC(C)=O)ccc2oc3c(C(OC)OC)cc(C)cc3c12 2356570184 ZSIUEMMPNHGBBG-HXUWFJFHSA-N 414.498 5.845 0 1 HKAF CC=C(C)[C@@H](O)[C@H](C)C=C(C)C=CCC(C)=CCc1oc(OC)c(CC)c(=O)c1C 2356652633 KARZXNDNDLSNJC-HYBUGGRVSA-N 414.586 5.864 0 1 HKAF COc1ccc(-c2ccc(-c3nnc(Cc4ccc(OC)c(OC)c4)o3)cc2)cc1 907860 YFBHMVSAAVDNCB-UHFFFAOYSA-N 402.450 5.020 0 3 HKAF CC(C)=CCC/C(C)=C\CC/C(C)=C\CCC(=O)OC/C=C(\C)CCC=C(C)C 11616356 ZPACYDRSPFRDHO-RIROUZSMSA-N 400.647 8.422 0 1 HKAF investigational CCCN(CCc1ccc(C(F)(F)F)cc1)C1Cc2cc(OC)c(OC)cc2C1 13471434 WTDNZXBSHAXHEU-UHFFFAOYSA-N 407.476 5.145 0 1 HKAF O[C@H](CCN1CCN(c2ccc3sccc3c2)CC1)c1csc2ccccc12 13491143 NWAOYZLUBBEZAL-OAQYLSRUSA-N 408.592 5.362 0 1 HKAF CCCCC1=C(c2ccc(CCc3ccccc3)cc2)N2CCCN=C2c2ccccc21 13555289 QJGIRZOTOMPOJF-UHFFFAOYSA-N 420.600 6.996 0 1 HKAF Cc1ccc(F)c(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1 13673700 BRGHVDKITCZGNK-UHFFFAOYSA-N 407.474 5.340 0 1 HKAF CN1[C@H]2CC[C@@H]1CC(O[C@@H](c1ccc(F)cc1)c1ccc(Br)cc1)C2 13800178 UYDBIVZVAQJVFB-JGUMPVPUSA-N 404.323 5.319 0 1 HKAF CC(C)=CCc1cc(C(=O)O[C@@]2(C(C)C)CC=C(C)CC2)cc(CC=C(C)C)c1O 14444488 PYSQNLGCMZDKLK-MHZLTWQESA-N 410.598 7.091 0 1 HKAF biogenic CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)OC3[C@@H](C)CCC[C@@H]3C)CN(C)[C@@H]1C2 27519439 WRVDEIUJUYJDJD-VJTWRNMGSA-N 422.613 5.550 0 1 HKAF Clc1cccc(-[n+]2nc(-c3ccc(-c4ccccc4)cc3)nn2-c2ccccc2)c1 29130423 QUQWPKFQBLXNTL-UHFFFAOYSA-N 409.900 5.531 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(O)c(F)c2)C(C)(C)CCC1 40845090 UCTAYZGWGDKTHB-HPWKXKAUSA-N 409.545 7.001 0 1 HKAF Cn1c(-c2ccc(-c3ccc(F)cc3)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1 40956730 VCTHRPMMDKRYPK-UHFFFAOYSA-N 417.915 6.412 0 1 HKAF COc1ccccc1[C@H](CCN(C(C)=O)[C@@H](C)c1ccccc1)[C@@H]1CCC(C)(C)OC1 58576585 OEXWBBSZVDWIDB-TUACAJSNSA-N 423.597 5.984 0 1 HKAF CNCC1=Cc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1 72105497 GPXYOCKQAQTLCJ-UHFFFAOYSA-N 402.925 5.808 0 1 HKAF Cc1cn(-c2ccc(Nc3nc4c(s3)CCC[C@H]4c3ccccc3)cc2Cl)cn1 73161979 PFQWGJQJDPLXOG-SFHVURJKSA-N 420.969 6.502 0 1 HKAF CN(CC(=O)OCCC1CCCCC1)C(=O)c1coc(-c2ccc3ccccc3c2)n1 82085849 VCAXEOFZMXHKQW-UHFFFAOYSA-N 420.509 5.080 0 1 HKAF C[C@@H]1C[C@@H](C)CN(c2ncc(-c3nc4ccccc4s3)c(-c3ccccc3)n2)C1 82162994 XEAZWAPYNVDWGD-IAGOWNOFSA-N 400.551 5.903 0 1 HKAF CC[C@H](C)Cn1c(C2CCCCC2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188318 WDEXNJLBZZATKS-RBUKOAKNSA-N 405.590 6.136 0 1 HKAF CCOc1ccccc1-c1ccc(-c2nc3ccc(F)cc3c(C(=O)O)c2C)cc1 95592709 JENSCTHFDKMRBS-UHFFFAOYSA-N 401.437 6.113 0 1 HKAF COc1cccc(-c2ncc(Cc3ccc(C)cc3C(=O)O)cc2C(F)(F)F)c1 96173358 FRDWKPGIRXBLFM-UHFFFAOYSA-N 401.384 5.373 0 1 HKAF Oc1cc(O)c(-c2cc(-c3cccs3)[nH]n2)cc1-c1cc(-c2cccs2)[nH]n1 96930208 YWZAWYIKTDVFDT-UHFFFAOYSA-N 406.492 5.335 0 1 HKAF CC[C@H]1c2c(OC)cc(OC)c(OC)c2[C@@H](c2cc(OC)c(OC)cc2OC)[C@H]1C 100827730 ZPOQFZFDKXZAGL-PXIJXODZSA-N 416.514 5.013 0 1 HKAF endogenous,in-man CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(C(F)F)cc3)cc2)c1Cl 103184376 COWJOECHDGQCGE-UHFFFAOYSA-N 419.859 5.296 0 1 HKAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cnccn3)cc(-c3nccs3)c2)c(F)c1 113769890 RIVYICZLILVSAY-HNNXBMFYSA-N 418.497 5.206 0 1 HKAF CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2cn[nH]c2cc1F)c1ccccc1 114544094 IQGJLBMADSVPQY-OICJBESASA-N 412.464 6.169 0 1 HKAF Clc1ccc(-c2nc(-c3ncccn3)c([C@@H]3CC[C@@H](c4ccccc4)NC3)[nH]2)cc1 142699146 DJAZZULACIWTPD-QUCCMNQESA-N 415.928 5.395 0 1 HKAF CCCC[C@]1(CC)CS(=O)(=O)c2cc(CC)c(OC)cc2[C@@H](c2ccccc2)N1 147761203 DYNJCBHXKBPNII-DNQXCXABSA-N 415.599 5.063 0 1 HKAF Cc1ccc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2c1 586968152 NVQCNMZACQHQLR-UHFFFAOYSA-N 410.930 5.183 0 1 HKAF CC(=O)N[C@H](Cc1nc2cccc(C(C)(C)C)c2[nH]1)c1ccc(Br)cc1 586984175 CMCWAHYLONXWCP-GOSISDBHSA-N 414.347 5.043 0 1 HKAF Cc1nccn1-c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586986905 GZHBNUIOXBFIOS-UHFFFAOYSA-N 403.441 5.313 0 1 HKAF O=C(O)c1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c1 586998684 NERLMQSMXWJPCZ-UHFFFAOYSA-N 423.266 5.270 0 1 HKAF CCc1ccc(-c2nc(-c3nc4c(Cl)c(Br)cnc4[nH]3)cs2)cc1 587015642 UJDBMWDSBQDMSV-UHFFFAOYSA-N 419.735 5.727 0 1 HKAF FC(F)(F)CSc1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)ccn1 587091713 NTIFWCOKXMSGJI-UHFFFAOYSA-N 422.657 5.695 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc2c1 587092651 YGZCXZWBPMSUEM-UHFFFAOYSA-N 402.239 5.350 0 1 HKAF CCOc1ccc(-c2nc3cccc4c3c(c2CCC(=O)O)-c2ccccc2C4=O)cc1 587107162 QAZOARZGSMSOLC-UHFFFAOYSA-N 423.468 5.529 0 1 HKAF CC(C)(C)c1ccc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c2n1 587114259 QPGFWWUWWDOIMZ-UHFFFAOYSA-N 422.476 5.146 0 1 HKAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2ccc(Br)c(F)c2[nH]1 587148295 AXJLJJQNOQBPCU-SFHVURJKSA-N 414.253 5.805 0 1 HKAF Fc1ccc2c(c1)C[C@H](c1nc3cc(OC(F)(F)F)c(Br)cc3[nH]1)O2 587173730 IBXZVXUPKUBHAZ-CQSZACIVSA-N 417.156 5.039 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCNc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 587329444 MRTKPSHQNIXLHW-ISKFKSNPSA-N 423.871 5.645 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCSc3c(F)cccc32)[C@@H]1c1ccc(F)cc1 587335694 OMDNUOJURYVRJF-OFNKIYASSA-N 410.441 5.421 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-c1ccc(Cl)c(C(=O)O)c1)O2 587372691 AENXJHIODHEQKW-NRFANRHFSA-N 407.853 5.302 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1ccccc1)[C@@H](C2)C3=O 587433422 XTVWDPCHYBSSSZ-RXFWQSSRSA-N 408.457 5.037 0 1 HKAF CCO[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439560 BOVUICGWLUCQIF-LPPUWEFUSA-N 400.474 5.116 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccc(OC)cc3)s1)CC2=O 587494676 NFHNGHOMGREJPR-DEOSSOPVSA-N 408.519 5.962 0 1 HKAF O=C1C[C@@H](c2ccc(-c3ncccc3C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587505515 HKQQIHUPMZEWKA-QFIPXVFZSA-N 423.434 6.353 0 1 HKAF O=C1C[C@H](c2cc(C(F)(F)F)nn2[C@@H]2CCCCO2)Oc2c1ccc1c2CCCC1 587509342 RTIIZAYOZCWXSJ-QUCCMNQESA-N 420.431 5.186 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccccc2)[nH]c1Cl 587554903 YDRXRSDZJPVKRW-UWJYYQICSA-N 418.836 5.139 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccn1)C1CCCCC1 587585842 GTVSFKZAZBRKOA-RCZVLFRGSA-N 401.462 5.225 0 1 HKAF CCOc1ccc2nc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2c1 587589926 YVVGUGNXNXELRI-WIOPSUGQSA-N 413.429 5.042 0 1 HKAF Cc1ccc(C)c(SCc2[nH]c3c(C)cc(Cl)cc3c2-c2ccccc2F)c1 587624921 WSESCEVRPNSWGV-UHFFFAOYSA-N 409.957 7.845 0 1 HKAF CC(C)(C)OC(=O)N1CCC[C@@H]1c1[nH]c2cccc(F)c2c1CCCC1OCCO1 587636858 MHEIGHBLSIUVBY-GOSISDBHSA-N 418.509 5.075 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(Cl)c2Cl)N1 587692554 LGYJUAQXOGJMJB-HYORBCNSSA-N 405.094 5.224 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccccc2Cl)N1 587695409 JSXIBMDLTCEHAY-ODXCJYRJSA-N 419.725 5.656 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1 587702133 VMBLGOGEGZVUBD-YBTHPKLGSA-N 420.709 6.125 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2C(F)(F)F)N1 587709499 ASWIFYTZHPSMGJ-VPTHRUTESA-N 406.192 5.370 0 1 HKAF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1C(F)F 587713375 CQYPHOWRUHAFRS-HUTHGQBESA-N 400.238 5.158 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)nc2C(F)(F)F)N1 587714292 PFOGUWQDKMSSKR-JKYUHCHBSA-N 423.635 5.279 0 1 HKAF COc1c(F)cc(F)cc1/C=C/[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587720066 MHCVTSBPFOBDGH-TZGRVOPASA-N 412.249 5.164 0 1 HKAF COc1ccc2cccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587812385 ZTMYSXZSYQHIMC-WHEQGISXSA-N 414.318 5.548 0 1 HKAF CCCCC/C(=C\c1ccccc1)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587817664 DJMPNMOQCPQSKG-JXUFRXNGSA-N 416.378 6.827 0 1 HKAF COc1cccc2cc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)oc12 587829289 QAILCZDNODBMIS-PRWKNARSSA-N 404.279 5.141 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1ccccc1C(F)(F)F 587855216 MZNPSJQASAIFOK-UHFFFAOYSA-N 415.242 6.323 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(Cl)ncc2[nH]1 587948662 HRSIZAVRNRWSRC-QEEYODRMSA-N 411.933 5.896 0 1 HKAF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CC3CCCCCC3)[nH]c2c1 587960043 DWTAOJGCNWAZPY-UHFFFAOYSA-N 417.962 5.530 0 1 HKAF CCOC(=O)c1c(CSc2c(C)cccc2C)[nH]c2c1cc(O)c1ccccc12 653706039 UAFMBEQXTZLIGG-UHFFFAOYSA-N 405.519 6.113 0 1 HKAF CCCCc1ccc([C@@]2(c3ccc(Cl)nc3)NCCc3nc4ccccn4c32)cc1 962984301 CKPJWGCABNFZPO-VWLOTQADSA-N 416.956 5.163 0 1 HKAF CC[C@]1(c2cccc(F)c2C)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963188755 WMJNRUDBLHLOFJ-DNVCBOLYSA-N 415.814 5.059 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CC(C)(C)C)c1ccccc1C(=O)OCC 963227662 KAZXHHCGDBHQLV-DCFHFQCYSA-N 407.598 6.200 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCCCOC)c1ccc(C(F)(F)F)cc1 963245147 ZWLDUKCTDJYMRL-YADARESESA-N 419.531 6.422 0 1 HKAF CCCCCCC(=O)Nc1ccc2c(c1)CCC/C2=C\c1ccc(C(F)(F)F)cc1 1857559743 LEYTYCSDIOQKGO-KNTRCKAVSA-N 415.499 7.491 0 1 HKAF Cc1ccc(C(=O)N=c2[nH]n(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)cc1 1857616433 UASBHEXJHUICFR-UHFFFAOYSA-N 409.411 5.086 0 1 HKAF CN1C[C@@](O)(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)Sc2ccccc21 1857635743 FGRXNOWHFCGQDU-NRFANRHFSA-N 401.453 5.760 0 1 HKAF CC1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)O[C@@H]3Nc3ccccc3F)[C@H](C)CC[C@@]12C 1857642906 FLYWCZDSMGBZPQ-XYCLDAKMSA-N 411.561 6.626 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C 2356566367 FNLULDRVESXFIV-ILKVWOQQSA-N 416.646 5.108 0 1 HKAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@]3(C)CCC4=C(CC(C)(C)CC4)[C@@]3(C)CC[C@]21C 2356733024 ONKVULBDJSGIEB-LCYJDFKUSA-N 410.686 8.131 0 1 HKAF CC(=O)O[C@@H]1C[C@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)[C@@H]2CCc3ccoc3[C@@]21C 2356795553 MFAXGAMFHFHMSS-DCVHQILHSA-N 412.614 6.684 0 1 HKAF Cc1ccccc1OCCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 164581762 BCJRYAHWSDYHIF-UHFFFAOYSA-N 415.577 5.412 0 3 HKAF CCOc1cccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)NC2CCCC2)c1 773989 CJODFFTYQFYQPK-UHFFFAOYSA-N 406.482 5.088 0 1 HKAF CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl 4296902 IXODKNIAJHXDEU-PKOBYXMFSA-N 409.288 5.141 0 1 HKAF CC(C)=CCc1c2c(c(O)c3c1O[C@H](c1ccc(O)cc1O)CC3=O)C=CC(C)(C)O2 5158980 DFVFCZXJTRKRPI-FQEVSTJZSA-N 422.477 5.203 0 1 HKAF biogenic CCCc1nc(Nc2ccc(Cl)cc2Cl)n2ccnc(N(CCC)CCC)c12 13437373 DCBJJSIOAORGBH-UHFFFAOYSA-N 420.388 6.359 0 1 HKAF CCCCCn1c(C)c(C(=O)N[C@@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)c2cccc(OC)c21 13817333 RPGZRVZCBGRDRB-UFKXBGGNSA-N 410.602 6.093 0 1 HKAF CCCN(c1ncc(C)c(-c2ccc(Br)cc2C)n1)C(C1CC1)C1CC1 26182255 RVRRZHKJOGOUHK-UHFFFAOYSA-N 414.391 5.928 0 1 HKAF CCOc1c(-c2[nH]nc3ccc(/C(C)=C/C(=O)O)cc23)cc(C(C)C)cc1C(C)C 26660151 LWXJNLCQFQPZKN-MHWRWJLKSA-N 406.526 6.363 0 1 HKAF COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C3CCCCC3)N2CC2CCC(C)CC2)cc1 27201939 OPNCBMYHRCYEGA-STIJMGRHSA-N 423.645 5.369 0 1 HKAF O=C(OC[C@H]1CCCN(CCCc2ccccc2)C1)c1ccccc1C(F)(F)F 27207497 XHLFIAOBGYMSRR-IBGZPJMESA-N 405.460 5.207 0 1 HKAF C[C@@]1(C[C@](O)(CNc2cccc3cnccc23)C(F)(F)F)CCCc2ccccc21 28826247 AEYUJQIHDRFOMU-GOTSBHOMSA-N 414.471 5.624 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1)CC2=O 34545165 GOAUTULGLLBZSR-GBXRJUDBSA-N 408.494 5.745 0 1 HKAF C[C@]12CCC=C[C@H]1[C@H](c1ccc(F)c(Br)c1)N(Cc1ccccc1)C2=O 36388337 HBDGXYCVVBCCOG-XJABCFGWSA-N 414.318 5.644 0 1 HKAF C[C@]12CCC(=O)C(Sc3ccc(N)cc3)=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 40718857 HIKKUMIMNQGLJW-AATVZCHVSA-N 409.595 5.790 0 1 HKAF Fc1ccc(-c2noc(CCCOc3cnc4ccc(Cl)cc4c3)n2)c(Cl)c1 40974704 VKLHWQFWOJTEBS-UHFFFAOYSA-N 418.255 5.742 0 1 HKAF O=C(c1ccccc1-c1ccccc1)[C@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1 43014741 GVJBLPDTPTULKQ-DEOSSOPVSA-N 409.504 6.351 0 1 HKAF Cc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)[C@@H](C)CN(C)C)c4)c3)nc12 45187436 CFWUHCFJCCWBFI-SFHVURJKSA-N 412.537 5.342 0 1 HKAF CC(=O)N[C@@H](C)c1ccc(-c2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)cc1 45252955 MOXIYARTZKLEBO-FQEVSTJZSA-N 423.512 7.135 0 1 HKAF COc1ccc(NCc2cccc(-c3cccc(CNCCc4ccccc4)c3)c2)cc1 45302861 WEGMIJPBFYHZAE-UHFFFAOYSA-N 422.572 6.307 0 1 HKAF CCCO[C@@H](c1ccc(Cl)cc1Cl)[C@H](SC(C)(C)C)n1cnc(C)c1 45386425 CBJSFRYJPRQSJM-ROUUACIJSA-N 401.403 6.697 0 1 HKAF CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(-c2ccccc2)cc1 64512593 UWRCUKBQVVLKLL-UHFFFAOYSA-N 406.533 6.225 0 1 HKAF CC(C)=C[C@H]1C[C@]2(C)[C@H](CC[C@]3(C)[C@H]4C(=O)N5c6ccccc6[C@]5(O)C[C@@H]4CC[C@@H]23)O1 64539786 QJYILEDZEZVBBD-LCFNVQIWSA-N 421.581 5.155 0 1 HKAF COc1ccc2c(c1)[C@@]1(OCCC=C[C@@H]1C)C(=O)N2Cc1ccccc1C(F)(F)F 66123130 YJZPZMMJNUCTRB-OYHNWAKOSA-N 417.427 5.069 0 1 HKAF C[C@@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2ccc(C(C)(C)C)cc2)nn1 84669190 XGPGLEDWYMNSMT-KRWDZBQOSA-N 411.574 7.220 0 1 HKAF COc1ccccc1[C@H]1c2c(C(C)C)n[nH]c2CN1c1ccc(-c2ccsc2)cc1 96177075 DTXRJGKAECMPJW-VWLOTQADSA-N 415.562 6.380 0 1 HKAF Cc1c(C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc(-c2ccccc2)n1Cc1ccc(Cl)cc1 101189437 RAHLSSRKGVUWGG-ZYKOEDHHSA-N 418.968 6.084 0 1 HKAF CCn1c2ccccc2c2cc(CN3CCN(C(=O)Nc4ccccc4)CC3)ccc21 138012574 IGWSIQICCIZVNZ-UHFFFAOYSA-N 412.537 5.164 0 1 HKAF Fc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@H]2c2ccc(F)cc2)N3CCCc2ccccc2)cc1 169334569 HMCBNLGRMGUNCH-UNFRKHOWSA-N 417.543 6.702 0 1 HKAF C[C@H](CCC=C1CC1)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]45C[C@]35CC[C@]12C 169362092 JPBYBCDJWOLHTR-ZUILLZINSA-N 424.713 7.923 0 1 HKAF CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@@H]([C@]3(C)CCC(=O)O3)CC[C@]21C 255247426 NOLGXQBEFHYZHI-HIRLCQJUSA-N 414.630 6.336 0 1 HKAF Cc1ccc(Cn2cc(C(=O)N3CCCCC3)cc2-c2ccc(Cl)c(C)c2)cc1 473136494 RZSULJZVDIXTMO-UHFFFAOYSA-N 406.957 6.100 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(/C=C\c4ccccc4C(=O)O)[nH]c3c2)cc1 586881605 XSHYRPDDQCOWGG-JYRVWZFOSA-N 414.417 5.010 0 1 HKAF Cc1cc(F)c2nc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)[nH]c2c1 586984298 PQOKRVMNHUSBID-UHFFFAOYSA-N 424.273 5.692 0 1 HKAF Cc1cc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2cc1F 587004880 AYSQVHUKJMQAFC-UHFFFAOYSA-N 415.104 5.585 0 1 HKAF COc1ccc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c2c1 587040215 XSJVCTLACFKIKX-UHFFFAOYSA-N 418.547 5.844 0 1 HKAF CCN(CC)S(=O)(=O)c1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c1 587056064 YMJYVEHTGOWBBY-DHZHZOJOSA-N 424.353 5.071 0 1 HKAF Cc1cc(-c2nc3ncc(Cl)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587059768 WDGKCLFFLTYPKN-UHFFFAOYSA-N 423.307 5.342 0 1 HKAF Clc1ccc(-n2cc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)nn2)cc1 587075078 FIRXOOPBSHTROK-UHFFFAOYSA-N 401.857 5.043 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)Cc1ccc(Br)cc1C3 587102078 PDWYQPCFDIJCLZ-UHFFFAOYSA-N 412.286 5.704 0 1 HKAF CC(=O)[C@@H](SCc1ccccc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587103485 XXBOGOGMFOLDBE-HHHXNRCGSA-N 423.537 6.318 0 1 HKAF O=C1c2ccccc2-c2cc(CCc3ccc(Cl)c(Cl)c3)nc3cccc1c23 587104703 WJTFXTQBUJDQTI-UHFFFAOYSA-N 404.296 6.538 0 1 HKAF Cc1cnc(O)n1-c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587105235 UCDXWGRKMRRBOR-UHFFFAOYSA-N 403.441 5.313 0 1 HKAF O=C(CCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccc(F)cc1 587161792 DKDIHNNIHKUVSH-UHFFFAOYSA-N 415.184 5.299 0 1 HKAF Fc1ccc2c(c1)C[C@H](c1nc3ccc(Br)c(C(F)(F)F)c3[nH]1)O2 587174691 RGROUQSBXFOYGA-GFCCVEGCSA-N 401.157 5.160 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587191410 LSGDWRHMNPRRIR-OAHLLOKOSA-N 407.301 5.221 0 1 HKAF COc1ccc(C)cc1NCCCc1nc2cc(Br)c(C)c(C)c2[nH]1 587227971 FGLQWCRANBMWRO-UHFFFAOYSA-N 402.336 5.304 0 1 HKAF COc1c(F)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F 587328622 BQEVNTOHRZNKSO-NFBKMPQASA-N 414.379 5.092 0 1 HKAF CCOC(=O)[C@H]1C[C@H](C)Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587362635 LKODRZNVDYACFB-QRWLVFNGSA-N 415.489 5.886 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCc3ccc(F)cc3Cl)c1)O2 587385012 KZGWNYSWQJWGRU-JOCHJYFZSA-N 411.860 5.655 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3cccc(Br)c13)CC2=O 587460631 VFMDXSBEJRUELT-GOSISDBHSA-N 400.272 5.295 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1cc(F)ccc1Br)CC2=O 587465833 HJYUOOXLMKLHSO-FQEVSTJZSA-N 407.279 5.213 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc(C)c(C)c3)cc1)CC2=O 587480196 NVYDVIWUNKPDNI-VWLOTQADSA-N 402.490 6.460 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(-c3ccccc3)c1)CC2=O 587481223 QDCOREILTXCXOZ-SANMLTNESA-N 402.490 5.901 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(C)cc3)cc1)CC2=O 587482489 UCTMBZHVZBGTPT-VWLOTQADSA-N 402.490 5.939 0 1 HKAF Cc1nc(Nc2ccc(F)cc2)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587510853 XOTHVLCQXCWOPN-XMMPIXPASA-N 422.525 6.094 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587513680 KXXNCCXJRQKEHF-AREMUKBSSA-N 419.521 5.571 0 1 HKAF CC(C)(C)OC(=O)n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cccnc21 587516404 SIRGJYQUNRSKRJ-NRFANRHFSA-N 418.493 5.405 0 1 HKAF O=C1C[C@H](c2ccc(Sc3ccccc3Cl)cc2)Oc2c1ccc1c2CCCC1 587533443 UDSWQSCROJLOND-HSZRJFAPSA-N 420.961 7.077 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@@H](c1ccccc1)C2 587602995 KLHKBZXGLUUGHC-BLFHIAQRSA-N 400.474 5.841 0 1 HKAF CCc1ccc(C(=O)c2c(C(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 587622337 KYWISCMMXFDTPI-UHFFFAOYSA-N 418.241 5.538 0 1 HKAF CCOC(=O)c1c(-c2cc(Br)ccc2F)[nH]c2c(C)cc(Cl)cc12 587624785 RKWZKDDOCLUGHB-UHFFFAOYSA-N 410.670 5.875 0 1 HKAF O=C(c1cc(-c2[nH]c3cccc(F)c3c2-c2ccccc2)c[nH]1)C(Cl)(Cl)Cl 587632589 LBAGXDYDEZPINV-UHFFFAOYSA-N 421.686 6.522 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(Cl)c3)o2)N1 587697420 GLZMMVXYGWRINS-BIBXISHDSA-N 420.709 6.125 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c(F)cccc2F)(C(F)(F)F)N1 587705774 MZWWUCYXSJWZMS-PWJLMRLQSA-N 424.182 5.207 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(Br)c2)N1 587728452 FAAOOURQNLCTIU-VPTHRUTESA-N 417.091 5.113 0 1 HKAF CCS(=O)(=O)c1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783669 DWQUAHGANUBXHD-XNTDXEJSSA-N 418.518 5.106 0 1 HKAF Cc1ccccc1-c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587830372 SSYZVXBFNQXMCL-ZSEKCTLFSA-N 400.291 5.780 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)s2)N1 587847560 LHMUHSXXYGLBMK-NXSYQRQQSA-N 405.130 5.036 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccs2)N1 587854268 SLVSFHCYKUFZGS-RBZFPXEDSA-N 402.332 5.476 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cl)c(Br)c1 587869663 OZMPQQPMYCMTFR-UHFFFAOYSA-N 423.669 5.192 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5CC[C@@H](C(C)(C)C)C5)[nH]c4c3)o2)cc1 587968805 FWGOLYJBMSVDFB-SJLPKXTDSA-N 416.525 6.218 0 1 HKAF CN1C(=O)C[C@@H]2CN[C@@](c3ccc(Cl)c(Cl)c3)(C(C)(C)C)c3cccc1c32 963014869 ASYOKUMFUPASAV-MCMMXHMISA-N 403.353 5.336 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@]3(c1ccc(C)cn1)c1cc(C)ccc1C 963033868 KMXWTVOBLVZPIX-MHZLTWQESA-N 409.533 5.001 0 1 HKAF CCCC[C@@]1(C(CC)CC)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963172703 DOKOUULVROUAEH-MJGOQNOKSA-N 405.888 5.779 0 1 HKAF COc1ccc(OC(F)(F)F)cc1-c1cccc([C@H](CC(=O)O)c2nccs2)c1 1772598096 UUYBCLGTTPNNSU-INIZCTEOSA-N 423.412 5.324 0 1 HKAF Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1-c1ccc2c[nH]nc2c1 1857547249 WOCHNCYTJQKRRX-UHFFFAOYSA-N 409.411 5.487 0 1 HKAF CCN(C)c1ccc(Oc2ccc(-c3[nH]c4cccc(F)c4c(=O)c3C)cc2F)cc1 1857576772 WFMQZXISZYABGZ-UHFFFAOYSA-N 420.459 6.030 0 1 HKAF COc1ccc(-c2cc(-c3ccc(O)cc3)nc(/N=c3\ccc4ccccc4o3)n2)cc1 1857632565 PEZCACWVXBGWFI-XLVZBRSZSA-N 421.456 5.503 0 1 HKAF COc1ccc([C@H](C)C(=O)c2ccc(NCc3ccccc3)cc2OC)cc1OC 1857642148 RAHBTVBFKALZFV-KRWDZBQOSA-N 405.494 5.311 0 1 HKAF N=c1[nH]c(-c2cccc(C(F)(F)F)c2)c(C(=O)c2ccccc2C(F)(F)F)s1 1857758159 VVQXFIONVXOLBV-UHFFFAOYSA-N 416.346 5.491 0 1 HKAF OCc1cc2c3ccccc3n(Cc3ccccc3)c2c(-c2c[nH]c3ccccc23)n1 1857775407 WAFZFLLXGVVJPC-UHFFFAOYSA-N 403.485 5.878 0 1 HKAF CC(C)=CCCC(C)=CCc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O 2356468904 UXXAQCSTQAIKEM-UHFFFAOYSA-N 406.478 5.812 0 1 HKAF CC(C)=CCc1c(O)c(C=CC(C)C)c(O)c2c1O[C@@H](c1ccc(O)cc1O)CC2=O 2356636148 XCIRMVJXNNMDAI-OAQYLSRUSA-N 424.493 5.393 0 1 HKAF COc1cc2c(c(-c3c(C)cc(OC)c4c(OC)cccc34)c1O)C[C@@H](C)N[C@@H]2C 2356661219 UFIFXCNIBQABEQ-HUUCEWRRSA-N 407.510 5.142 0 1 HKAF CC(C)CC[C@@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356675548 ZSNZJJYKGGJXRT-UEDMJYGWSA-N 418.662 5.330 0 1 HKAF CC(=O)c1ccc(Nc2nc([C@@H](N)Cc3ccc(C(F)(F)F)cc3)cs2)cc1 61905078 FJGRLWVERZYISL-KRWDZBQOSA-N 405.445 5.351 0 3 HKAF Cc1cc2nc(C3CCCCC3)c(Cc3cccc(F)c3)n2c(C)c1Br 72137702 OARGRTJCDSGFRU-UHFFFAOYSA-N 415.350 6.491 0 3 HKAF COc1ccc(-c2c3c(nc4nc(SC)nc(SC)c24)CCCC3)cc1OC 1642455 WLWPKBMEUNOZIA-UHFFFAOYSA-N 413.568 5.032 0 1 HKAF CC(C)(C)c1cc(NC(=O)Nc2cc(Br)cc(Br)c2)no1 3834014 ZMLJJMNACKVEOF-UHFFFAOYSA-N 417.101 5.141 0 1 HKAF CN(C)c1ccc(-c2nc3ncnc(N)c3c(-c3ccccc3)c2-c2ccccc2)cn1 13529849 FZVIKJCZQYUWJI-UHFFFAOYSA-N 418.504 5.069 0 1 HKAF COc1cccc2c1O[C@@H](CN1[C@H]3CC[C@@H]1C=C(c1ccc4ccccc4c1)C3)CO2 13589029 JOHWPBIJXSBHPU-SGNDLWITSA-N 413.517 5.309 0 1 HKAF N[C@@H](c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1 22941567 VLFWNCLVUNBYAS-NSOVKSMOSA-N 420.556 6.343 0 1 HKAF CCOc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 27201788 SOIIZAOCQFEEBS-CLJLJLNGSA-N 415.533 5.821 0 1 HKAF CCCN1C(=O)c2ccccc2[C@]1(OCCc1ccccn1)c1ccc(Cl)cc1 28134926 HJWDABPABOMHLB-XMMPIXPASA-N 406.913 5.061 0 1 HKAF Fc1cc(-c2ccccc2Oc2ccccc2)cc(-n2nnc(-c3ccccn3)n2)c1 28386484 DWNLJXJSBWWWOW-UHFFFAOYSA-N 409.424 5.323 0 1 HKAF COC(=O)/C=C/n1cc(-c2ccc(Cl)cc2)c([C@H](c2ccccc2)n2ccnc2)c1 28467006 LDZRGHHQXWOXDD-CWSBKQHBSA-N 417.896 5.286 0 1 HKAF CCc1ccc(-c2nc3cc(NC(=O)OCc4ccc(Cl)cc4)ccc3o2)cc1 40896040 XMZIZVBDRXNJHQ-UHFFFAOYSA-N 406.869 6.459 0 1 HKAF CCCNC[C@@H]1C[C@@]1(C(=O)N(C)Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 66078879 HNTNQXKCVNBBOA-HTAPYJJXSA-N 423.359 5.048 0 1 HKAF CCc1cnc(-c2cnc(NCCc3ccc(C)cc3)nc2-c2ccccc2C)s1 82177742 RICDIGPTKVQDOZ-UHFFFAOYSA-N 414.578 6.101 0 1 HKAF CCC(CC)c1nc2c(NCc3ccccc3C)ncnc2n1CCN1CCCCC1 82180493 NGMAFWZVRAAKCK-UHFFFAOYSA-N 420.605 5.136 0 1 HKAF COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2-c2ccc(F)c(C)c2)cc1 95597477 AGLJXLBPBGAWGX-RMKNXTFCSA-N 408.469 6.006 0 1 HKAF CCN(CC)C(=O)[C@@H]1Sc2cc(OCCF)ccc2-c2c1c1ccccc1n2C 96909222 HGLLKLAWIRKNPN-JOCHJYFZSA-N 412.530 5.209 0 1 HKAF Clc1ccc(/N=c2\ccn(CCCN3CCCCC3)c3cc(Cl)ccc23)cc1 96931938 MGZMCQFIACDFQC-XTCLZLMSSA-N 414.380 6.057 0 1 HKAF O=C(Oc1ccc(-c2ccccc2)cc1)c1cn(-c2ccccc2)nc1-c1ccsc1 98085689 OJABYVJTIDIQJH-UHFFFAOYSA-N 422.509 6.487 0 1 HKAF CCC[C@@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1OC)CCCC3 113125441 ZHIWDLNGUFACHB-GOSISDBHSA-N 423.578 6.436 0 1 HKAF O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(-c2cncc3ccccc23)c1 113790429 WVZPOMISUROFHE-UHFFFAOYSA-N 402.837 5.506 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118936886 VETZNBAGZJYCQT-RQXITMRRSA-N 414.674 7.102 0 1 HKAF endogenous,in-man CC(C)[C@H]1CC[C@H]2[C@]3(C)CCC4=C(CC[C@@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@]12C 121282620 FQCKEVJQPWDRQG-HPMQTCBDSA-N 410.730 9.198 0 1 HKAF O=C(Nc1ccc(Cl)cc1Cl)c1cc(Br)c2ccccc2c1O 169323595 KQFWQESOPMBDRD-UHFFFAOYSA-N 411.082 5.867 0 1 HKAF Cn1nc2c(c1-c1ccc(F)cc1Cl)-c1nc(Nc3ccccc3)ncc1CC2 169702249 FBEJOHDUSJZOTN-UHFFFAOYSA-N 405.864 5.179 0 1 HKAF CCOC(=O)C1=C(c2ccsc2)N=C(C)[C@@H](C(=O)OCC)[C@H]1/C=C/c1ccccc1 169715030 RHMOBIXFXQSYNJ-XICOBVEKSA-N 423.534 5.006 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCC(=O)N1Cc1ccc2oc3ccccc3c2c1 215900879 FHPANOIZEGWXAC-IBGZPJMESA-N 401.462 5.467 0 1 HKAF Clc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c([C@@H]3CCCNC3)cc12 220386346 DCBMSYWFJOYONC-QGZVFWFLSA-N 417.944 5.357 0 1 HKAF Clc1ccc([C@H](c2ccccc2)N2CCN([C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)cc1 253638906 BEMCBSQBMKYLNS-QYNQJEERSA-N 423.044 6.406 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@H](N)CC[C@]5(C)[C@H]4CC[C@]32C)O[C@]12CC[C@@H](C)CO2 255197583 BADUKLRFTFBRSD-GGHZNICHSA-N 415.662 5.760 0 1 HKAF COC(=O)[C@@H]1[C@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccccc2)c(Cl)c1)C3 261074627 AQWNEEQYGAZQAV-QSTKEVSTSA-N 421.968 5.684 0 1 HKAF Oc1ccc([C@]2(c3ccc(OCc4ccc5ccccc5n4)cc3)C[C@H]3CC[C@H]2C3)cc1 261181390 WEASJDHFFGWSTR-LGONNFHISA-N 421.540 6.626 0 1 HKAF CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O 299874820 BZCDRGDJCUQWJB-KVZCNWPJSA-N 422.569 5.273 0 1 HKAF Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cnoc1C 473247524 FBZXHWQRNSIAKU-UHFFFAOYSA-N 418.375 5.207 0 1 HKAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 586915381 LGMOCBQZNBAQTO-UHFFFAOYSA-N 416.330 5.489 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 586918615 ZFJQTKHMNVTACH-RXFWQSSRSA-N 412.489 5.358 0 1 HKAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4cccc(F)c4[nH]3)c(=O)oc2c1C 586919067 YMIZPLUMFPCOMS-UHFFFAOYSA-N 406.457 5.361 0 1 HKAF Cc1ccc(-n2ccnc2SCc2nc3c(Cl)c(Cl)cnc3[nH]2)c(C)c1 586966462 NURKGCWVDWGGMQ-UHFFFAOYSA-N 404.326 5.360 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(Br)cc4F)nc13)-c1ccccc1C2=O 586994714 CZPPSILTRXAXPM-UHFFFAOYSA-N 418.265 6.323 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(-c3sc(-c4ccc(Cl)cc4)nc3C)nc2c1 587015116 XHMDFHRCZIOHGU-UHFFFAOYSA-N 418.305 5.755 0 1 HKAF CC(C)(C)c1ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c1 587015271 JNQOQASDBAUASJ-UHFFFAOYSA-N 402.350 6.958 0 1 HKAF COc1cccc(-c2ccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c(Cl)c2)c1 587052183 KGQYXINRLRJJLS-UHFFFAOYSA-N 406.766 6.115 0 1 HKAF Cc1c(Cl)ccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc12 587063953 GBQVLAYNSIUZEH-UHFFFAOYSA-N 414.292 5.086 0 1 HKAF CC(C)(C)OC(=O)Nc1ccccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104254 PCEPULKFDNKCBW-UHFFFAOYSA-N 422.484 6.460 0 1 HKAF Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)nnn1Cc1ccccc1 587104274 FZXKADVFKNRZTD-UHFFFAOYSA-N 402.457 5.061 0 1 HKAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(C(=O)O)cc2[nH]1 587122655 VWWVZAIBTSWTIJ-UHFFFAOYSA-N 419.384 5.259 0 1 HKAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2ccc(Br)nc2[nH]1 587128250 IAHNTFRJNILDSN-UHFFFAOYSA-N 407.243 5.449 0 1 HKAF CCOC(=O)C(=C1SCS1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208499 SJTAQPVATHENPA-UHFFFAOYSA-N 405.500 5.115 0 1 HKAF C[C@@]1(c2ccc(Cl)nc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327497 GTBZYGDRBUADNY-RXVVDRJESA-N 418.251 5.507 0 1 HKAF C[C@]1(c2c(F)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334643 PFSAOLVQKLFLQT-KNQAVFIVSA-N 400.808 5.598 0 1 HKAF COc1cccc(-c2c(CC(=O)O)c(-c3cccc(N)c3)nc3c2oc2ccccc23)c1 587364030 YXYZDCTVVFDPFD-UHFFFAOYSA-N 424.456 5.533 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)ccc1Sc1ccc(Cl)cc1)O2 587386751 WVIXGDBIAOPLAE-FQEVSTJZSA-N 413.901 6.227 0 1 HKAF COc1cc2c3c(c1)O[C@](CC(C)C)(c1cccc(Br)c1)[C@@H](C2)C3=O 587420502 XQGNTSRQWOAZRW-LAUBAEHRSA-N 401.300 5.147 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc4c5c(c1)C(C)(C)CCN5CCC4(C)C)[C@@H](C2)C3=O 587439534 WFLMJJXSFZVLJV-BVZFJXPGSA-N 417.549 5.353 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3ccccc3Cl)o1)CC2=O 587461040 JCVJOELWYVHJQQ-JOCHJYFZSA-N 412.869 5.877 0 1 HKAF O=C1C[C@@H](c2ccc(-c3ccccc3C(F)(F)F)o2)Oc2c1ccc1c2CCCC1 587509240 RGONFWYSQAUCTO-QFIPXVFZSA-N 412.407 6.551 0 1 HKAF CCn1cc(-c2cc3ccccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587518780 PNVMDVNYERZYNK-DEOSSOPVSA-N 411.505 5.408 0 1 HKAF CC(C)(C)c1ccc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587545796 PNDYONOGTGTRGW-NZQKXSOJSA-N 408.881 6.046 0 1 HKAF Cc1ccc(-c2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1 587611343 IBXOWHGPKJPJKH-OFNKIYASSA-N 415.470 5.527 0 1 HKAF CC(C)c1ccc([C@]2(C(C)(C)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587613334 YNXPXQRNJJVUQD-GJZUVCINSA-N 418.489 5.144 0 1 HKAF CCOC(=O)c1[nH]c2ccc([C@H](C)CC)cc2c1C(=O)c1cccc(C(F)(F)F)c1 587639807 CYANHVBBMWHJJV-CYBMUJFWSA-N 417.427 6.108 0 1 HKAF Cc1cccc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc12 587707147 UHKCVQUIDQHBMZ-JEOXALJRSA-N 419.725 5.722 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccc(C(C)(C)C)cc2)N1 587818783 JODLJECSMSUJCJ-AUUYWEPGSA-N 404.367 6.094 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2csc(Br)c2)N1 587845641 FECDAMIQPASQPJ-AYVTZFPOSA-N 419.157 5.210 0 1 HKAF CC(C)CSc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587848818 YDPDFZGEYGBEFI-XCLFUZPHSA-N 408.380 5.960 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccsc2)N1 587852615 HRALJXBHJGDQSE-MPBGBICISA-N 402.332 5.940 0 1 HKAF COc1ccccc1-c1ccc(-c2nc3c(Br)cc(Cl)cc3[nH]2)cc1 587930605 FGZWSBPIFBRYPB-UHFFFAOYSA-N 413.702 6.321 0 1 HKAF O=C(Nc1ccc(Oc2cc[nH]c3nccc2-3)cc1)c1cc(-c2ccccc2)ncn1 653742687 RGJAYLJZSWYEBE-UHFFFAOYSA-N 407.433 5.016 0 1 HKAF Cc1cccnc1[C@]1(c2c(C)cccc2C)c2ccsc2CCN1Cc1ccco1 962710462 LLTVRQXGELDGJT-AREMUKBSSA-N 414.574 6.012 0 1 HKAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2cccc(-c3ccccc3C(F)(F)F)c2)N1 962909277 WRCQKWPMLICPTO-SFTDATJTSA-N 415.386 5.200 0 1 HKAF COc1ccc([C@]2(c3ccc(C)cc3)c3cccc(Br)c3CCN2C)cc1 963279627 HPPKOWBJPXZERE-XMMPIXPASA-N 422.366 5.546 0 1 HKAF CO[C@@H](C=C(C)C)C/C(C)=C/Cc1c(O)ccc2c1O[C@H](c1ccc(O)cc1)CC2=O 1857618479 KQOMYGPVFBMLTK-JEJODZCNSA-N 422.521 5.664 0 1 HKAF CCN(CC)S(=O)(=O)c1ccc(/C=C/c2nc3cc(C)c(C)cc3s2)cc1 1857653089 OGKCJVVJPQOEDV-FMIVXFBMSA-N 400.569 5.114 0 1 HKAF CCOP(=O)(OCC)[C@H](Nc1ccc(C)cc1)c1cc2ccccc2nc1O 1857771077 OPXBYMHPFXLGBW-NRFANRHFSA-N 400.415 5.626 0 1 HKAF CC[C@H](C)C(=O)[C@@H]1C(=O)[C@H](CC=C(C)C)C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C 2356397467 NLRBATXBDYLZDD-KCALTQBLSA-N 414.674 7.888 0 1 HKAF COc1cc(O)cc(-c2cc3ccc(O)cc3o2)c1C[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)O2 2356408233 YIIMEHMGTCKWAM-VDKIKQQVSA-N 408.494 5.656 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1cc(O)cc(O)c1)CC2=O 2356421257 CUAHQWHCZQIDAM-QHCPKHFHSA-N 424.493 5.451 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1[C@H](O)CC[C@@]2(C)[C@@H]([C@@](C)(O)CCCC(C)C)CC[C@H]12 2356615795 KTYZDHZUHRTLRD-YOPGQBOBSA-N 416.646 6.014 0 1 HKAF COc1cc2c(c3c1C(=O)O[C@H](C)CCCCCCC3)C[C@@H]1[C@@H](C)CO[C@]1(C)O2 2356824453 GUWRCPIQLPSBMM-YFPXKRJOSA-N 402.531 5.071 0 1 HKAF CC(=O)c1cccc(-c2cnc3ccc(-c4cccc(Oc5ccccc5)c4)nn23)c1 82082275 GPWLHXHMKMNASY-UHFFFAOYSA-N 405.457 6.058 0 3 HKAF C[C@@H](c1ccccc1)c1cc([C@@H](C)c2ccccc2)c(O)c([C@@H](C)c2ccccc2)c1 4977564 BYLSIPUARIZAHZ-VABKMULXSA-N 406.569 7.848 0 1 HKAF CC(=O)CCCC(C)(C)C(=O)CC/C(C)=C/CC/C(C)=C/CCC1=CC(=O)O[C@H]1O 13304175 VJORARHIZPYLAR-LYDKGRCYSA-N 418.574 5.376 0 1 HKAF COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1nc(C)c[nH]1 28385520 JIGYHXPKVDTNCG-UHFFFAOYSA-N 405.723 5.595 0 1 HKAF CC(=O)n1cc(CCCCN2CCC3(CC2)OCc2ccccc23)c2ccccc21 29569952 LKBUTBMEKXPRLR-UHFFFAOYSA-N 402.538 5.146 0 1 HKAF O=C(Nc1cccc(OCc2ccc(-c3ccc(F)cc3)cc2)c1)C1CCNCC1 40422896 NEDAHCJZNMEXLO-UHFFFAOYSA-N 404.485 5.010 0 1 HKAF COc1ccccc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccccc1C 49808505 NBKZNTZINHCTDV-AKFKNWHVSA-N 420.509 5.848 0 1 HKAF CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1c(C)nn(-c2ccccc2)c1Cl 64415765 FNEOLEPRDWVRFN-IBGZPJMESA-N 413.308 5.185 0 1 HKAF CNCC[C@@H](Oc1cccc2cc(OCCN3CCCC3)ccc12)c1ccccc1 64454410 YRQMTSHAIPAQIW-RUZDIDTESA-N 404.554 5.044 0 1 HKAF CCCCN(C(=O)c1ccccc1Cl)c1nc(-c2ccc(OC)cc2)cs1 64672581 ZHKBCIZAKWZSKR-UHFFFAOYSA-N 400.931 5.919 0 1 HKAF CN(Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)[C@H]1CCN(Cc2ccccc2)C1 72184220 FYQUPTCOJUMXDN-NRFANRHFSA-N 415.459 5.067 0 1 HKAF CC(C)(CO)CCCNc1cncc(Oc2ccc(NCc3ccccc3)cc2)n1 82068453 LARMOEVWHPEYBW-UHFFFAOYSA-N 406.530 5.092 0 1 HKAF CCN(C)c1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccccc2F)n1 82176213 JNIDXNKCZBTHRI-UHFFFAOYSA-N 420.513 5.538 0 1 HKAF COc1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(-c2c(C)cccc2C)c1 84669084 UHEOBHVHLOPVHH-UHFFFAOYSA-N 408.469 5.714 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1[C@@H](O)C3 85894607 BHMYRYNHHQYGTN-SWSFJFIFSA-N 414.674 6.814 0 1 HKAF O=C(/C=C/c1ccc(Cl)cc1)NCCCNc1ccnc2cc(Cl)ccc12 95597720 USSYFEZKDKONDY-RUDMXATFSA-N 400.309 5.173 0 1 HKAF CC1=C(O)/C(=C/[C@H](C)CCC/C(C)=C/CC[C@](C)(O)CCCc2ccoc2)OC1=O 101593647 QFBUNOKEKXMSCV-MITAJXBCSA-N 416.558 6.159 0 1 HKAF FC(F)Oc1ccc(-c2nnc3cncc(Nc4ccc(Cl)c(Cl)c4)n23)cc1 103303346 TZGDENMOWJZOCE-UHFFFAOYSA-N 422.222 5.443 0 1 HKAF CCc1csc(Nc2ncc(Sc3ccncc3)cc2Oc2ccccc2)n1 115874031 GFLDSNIRKKMYNR-UHFFFAOYSA-N 406.536 6.183 0 1 HKAF Cc1cc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)ccn1 143847781 FRVHJNLDJAFIMG-UHFFFAOYSA-N 410.502 6.598 0 1 HKAF CCN(Cc1ccc(C)cc1)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1 169347408 WJYKBEUCKVZESJ-UHFFFAOYSA-N 415.924 5.921 0 1 HKAF Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc(C(C)C)cc2)n1 205847399 LRMJRVNXBHTUIG-GOSISDBHSA-N 411.553 6.149 0 1 HKAF O=C(Nc1ccccc1Br)c1ccccc1NC(=O)C1CCCCC1 224880036 RYJPRHANKQDROH-UHFFFAOYSA-N 401.304 5.220 0 1 HKAF C[C@H]1CC[C@H](O)C/C1=C\C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)C[C@H](O)CC(C)(C)O 238733469 YIXWXJZATQCQEC-YDEORPRFSA-N 418.662 5.785 0 1 HKAF CC(C)=CC(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@H](CC/C(C)=C/CO)[C@@](C)(O)CC[C@H]12 238764356 JRRMXXZTUUZDPE-FXHLZHTISA-N 406.607 5.188 0 1 HKAF CN1[C@H]2CC[C@H]1[C@@H](CNc1ccnc(Br)c1)[C@@H](c1ccc(Cl)cc1)C2 261093775 DZCYWZREDUKUMT-RDGPPVDQSA-N 420.782 5.176 0 1 HKAF CCCCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 261137691 MKKJVJCUFYKFLO-AQYVVDRMSA-N 412.618 5.056 0 1 HKAF CCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1cc(Cl)ccc1Cl 474606203 HQCMNAMELIHTED-UHFFFAOYSA-N 405.285 5.346 0 1 HKAF FC(F)(F)Oc1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 586977691 PZBMVBFLILSRCE-UHFFFAOYSA-N 421.600 5.456 0 1 HKAF CCOc1cc(/C=C/c2nc3ccc(Cl)cc3[nH]2)cc(Br)c1OC 586978646 ZOXAPSWHWGIKBT-QPJJXVBHSA-N 407.695 5.557 0 1 HKAF Cc1c(Cl)ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586984499 GESUQVQXVACMSH-SFHVURJKSA-N 404.739 5.472 0 1 HKAF Cc1ccc2c3c(c(Cc4ccc(Br)cc4)cnc13)-c1ccccc1C2=O 586994144 WLJJYEPGRPWXAR-UHFFFAOYSA-N 414.302 6.108 0 1 HKAF Cc1c(Br)cc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2c1C 587023092 JSNOJTHMZQBRNQ-UHFFFAOYSA-N 423.336 5.413 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Cl)cc(Cl)cc4[nH]3)c21 587030351 DSOHZRHSGHYYGH-LLVKDONJSA-N 402.350 6.829 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c([C@@H]3SCCc4sccc43)nc2c1 587036489 CPVGPRHDQPZNGM-CYBMUJFWSA-N 419.291 5.784 0 1 HKAF Clc1ccccc1-c1cc(-c2nc3cc4ccccc4cc3[nH]2)c2ccccc2n1 587060905 VUQYVODNGUGSTP-UHFFFAOYSA-N 405.888 7.252 0 1 HKAF CCc1ccc2[nH]c(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)nc2c1 587061099 JMYWCNMDAXKDRS-UHFFFAOYSA-N 415.928 5.856 0 1 HKAF CC(C)Oc1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587071842 SOZSIPITXLCNFX-JYRVWZFOSA-N 418.924 6.753 0 1 HKAF Sc1nc(S)c2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2n1 587073891 QHLDHNSZKLNXKB-QINSGFPZSA-N 424.982 5.757 0 1 HKAF CC(C)(C)c1cccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587109717 JDVULLPONZPRAH-UHFFFAOYSA-N 400.366 6.489 0 1 HKAF O=C(CSCc1nc2cnc3ccccc3c2[nH]1)Nc1ccc(C(F)(F)F)cc1 587113799 LSXYXOCDLNKLSE-UHFFFAOYSA-N 416.428 5.002 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(Br)cnc3[nH]2)c1 587195881 MOFCXUQAIPWOQY-UHFFFAOYSA-N 417.307 5.067 0 1 HKAF Cc1c(Br)ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c12 587205527 RVVBZYXEIQBJMC-CQSZACIVSA-N 410.356 5.116 0 1 HKAF CCCOc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)CC4)cc1OCCC 587211694 JENLQCRUSOZZET-UHFFFAOYSA-N 405.494 5.205 0 1 HKAF C[C@@]1(CCOCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347005 KLUGYHRSGHIFIG-ZCYQVOJMSA-N 406.453 5.256 0 1 HKAF Cc1cc(C)c2c(c1)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352628 NDNPDTKSLZESJM-AHWVRZQESA-N 402.465 5.739 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(OC)c(OC)cc2C3)c1 587363347 RHCBRNBSAJDFHN-UHFFFAOYSA-N 423.468 6.245 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1cccs1)[C@@H](C2)C3=O 587450946 MGIUCOUDUNPLAL-XDHUDOTRSA-N 414.486 5.098 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CSC)(c1ccc(C(F)(F)F)cc1)CC2=O 587464643 VEMVJMZDFONQIB-HXUWFJFHSA-N 410.457 5.587 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc3cc(F)c(F)cc3nc1Cl)CC2=O 587472803 VHLOGRFBFXPJRQ-IBGZPJMESA-N 403.812 5.531 0 1 HKAF CCC[C@@]1(c2ccc(Br)c(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587501088 WCWHWELORDMUMS-QHCPKHFHSA-N 413.355 6.297 0 1 HKAF C[C@@]1(c2c(Br)ccc(Cl)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587501152 AMIOQPQORVSNCR-FQEVSTJZSA-N 423.709 6.001 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1c(Cl)cc(Cl)cc12 587552264 PGOKGVQUBACHHJ-UGKGYDQZSA-N 413.256 5.502 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccccc2)[nH]c1Cl 587554896 YDRXRSDZJPVKRW-LAUBAEHRSA-N 418.836 5.139 0 1 HKAF C[C@]1(c2cc(Cl)c(Cl)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557131 LROWSURHEIJEFG-WIYYLYMNSA-N 419.235 5.715 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccccc1F 587567366 GZYAXYZOURSQSD-JYFHCDHNSA-N 412.416 5.437 0 1 HKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccco1 587579157 SSKZJESOXMCNTA-WIOPSUGQSA-N 415.445 5.155 0 1 HKAF Cc1ccc(C)c(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587580906 ZZUZGVAGZDWALK-JYFHCDHNSA-N 411.457 5.503 0 1 HKAF CC(C)c1nn(C(C)(C)C)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582069 NPEOJDNAGZRQGV-XXBNENTESA-N 406.482 5.170 0 1 HKAF CC[C@H](C)Oc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC 587592244 GDHIVAPEHSXBMU-PZQJFTFDSA-N 420.461 5.281 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1Oc1cc(O)ccc12 587606193 CDHGKNNDQMOXIY-JYFHCDHNSA-N 424.408 5.109 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)s1 587611395 IHTVIICHRDBIKA-OFNKIYASSA-N 420.511 6.194 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3Cl)c(C(=O)c3ccccc3Cl)c2c1 587639711 BZCWAVBABRHHBG-HNNXBMFYSA-N 422.355 7.886 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1 587692295 BBXHLYBCFORKSK-DGIBIBHMSA-N 420.713 5.255 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ccc3ccncc23)N1 587694312 HAUJJWAVBATPPN-GIGQVBGESA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccccc3)[nH]c2Cl)N1 587698610 PCJSVXZRHTXDPH-MGPLVRAMSA-N 420.713 5.255 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2C(F)(F)F)N1 587714126 UZBGRCDQNWIIEN-PWJLMRLQSA-N 406.192 5.370 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C\c2cn(C)c3ccccc23)N1 587753347 AWWGTXIJUNUFEA-YXNWZHCASA-N 413.334 5.543 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C23CC(CC(=O)OC(C)(C)C)(C2)C3)N1 587795174 QUYZHGHKAACAPQ-SDEWKKIUSA-N 424.354 5.066 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cc3ccccc3)cc2)N1 587815861 QSOIJVVNAMXGIP-UPCLLVRISA-N 424.357 5.977 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C3CCCCC3)cc2)N1 587816096 UDWPCMIJRHQQOV-IQMFZBJNSA-N 416.378 6.434 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3)s2)N1 587847321 KJDYJJMSXCYPJM-FKIZINRSSA-N 402.332 5.940 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1C[C@H]1c1ccccc1 587859219 SSZDNMKDWKQDOA-HOTGVXAUSA-N 401.293 5.700 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)CN1CCC(C)CC1 587860198 QRINZVKULZCAFL-HNNXBMFYSA-N 424.372 5.264 0 1 HKAF COc1cccc(-c2cc(O)n(CCOc3cc(C)c(Cl)cc3C(C)C)c2O)c1 587943136 NCHDMDSMVCBRIF-UHFFFAOYSA-N 415.917 5.739 0 1 HKAF CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1 587943708 OMTAYINRAQOHBU-UHFFFAOYSA-N 419.471 6.972 0 1 HKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587951332 SQEULJILDRJDFN-CLCXKQKWSA-N 423.395 6.407 0 1 HKAF CSc1ccc(-n2c(/C=C/c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 653887956 FATRQLGHJLFXAG-OVCLIPMQSA-N 404.922 5.931 0 1 HKAF Fc1c(Cl)cc(C(F)(F)F)cc1[C@H]1NCCc2cccc(-c3ccccc3)c21 962657300 AOOKCSIRKZTNMN-OAQYLSRUSA-N 405.822 6.400 0 1 HKAF c1ccc(-c2ccc3c(c2)CCN[C@]3(c2ccccc2)[C@@H]2N[C@H]2c2ccccc2)cc1 962673253 YDBVYLXTDOTIBZ-NHKHRBQYSA-N 402.541 5.456 0 1 HKAF Cc1ccc([C@@]2(C[C@@H](C)CC(=O)O)c3ccsc3CCN2Cc2ccco2)cc1C 962704049 IFULHRIASATZJO-GKVSMKOHSA-N 423.578 5.761 0 1 HKAF CC(C)(C[C@]1(c2ccc(Cl)cc2)c2ccc(F)cc2C[C@H]2CCCN21)C(=O)O 963106699 KDTUNRBQCVLFMR-XXBNENTESA-N 401.909 5.244 0 1 HKAF COc1ccc(Cn2cc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)c2)c(OC)c1 1772584452 NWAPYXBYZXKCAO-UHFFFAOYSA-N 401.462 5.299 0 1 HKAF CC1(C)OC(=O)N([C@H]2CC[C@H](n3c(O)nc4ccccc43)CC2)[C@@H]1c1ccccc1 1772593087 HMBYRSDLLSZNQT-DBXWQHBBSA-N 405.498 5.198 0 1 HKAF S=C(Nc1ccc(Cl)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 1772616068 QGMUOKONHHLBLX-UHFFFAOYSA-N 417.365 5.061 0 1 HKAF FC(F)(F)c1ccc(Cn2ccc3c4ccccc4nc-3c2-c2ccccn2)cc1 1857553690 FIBCXQSPBGTBKG-UHFFFAOYSA-N 403.407 6.270 0 1 HKAF CC(C)=C[C@H]1Oc2cc(O)ccc2-c2oc3cc(O)c(C=CC(C)C)c(O)c3c(=O)c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c1cc([C@H]2COc3cc(O)cc(O)c3C2=O)c(O)cc1O 2356655073 WHMBQYBYAQQJRN-LJQANCHMSA-N 424.493 5.103 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CCC2=C3C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356663748 UKAKIXQJHXUJBH-AAGXLUFZSA-N 416.646 5.539 0 1 HKAF CC(C)[C@@H](C)NC(=O)c1c(-c2ccccc2F)noc1-c1c(F)cccc1Cl 2485099 RZAORKJLCLAISB-GFCCVEGCSA-N 404.844 5.715 0 1 HKAF O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1nc2ccccc2[nH]1 7135833 TYMJUFJHFGSSQQ-OUKQBFOZSA-N 401.853 5.365 0 1 HKAF CCc1nc2c(-c3ccc(Cl)cc3Cl)ccnc2n1[C@H](CCOC)C1CCC1 13479593 RZHRWWAIUQTLEF-LJQANCHMSA-N 418.368 6.345 0 1 HKAF CN1CCC(c2ccc([C@@H]3c4ccc(O)cc4CCN3c3ccc(F)cc3)cc2)CC1 13607728 CSCALARMRWAOKB-HHHXNRCGSA-N 416.540 5.493 0 1 HKAF CN(C)c1ccc(CCN2CCc3cc(Cl)c(O)cc3[C@@H](c3ccccc3)C2)cc1 13675865 HNNOJBGMULILCR-XMMPIXPASA-N 420.984 5.344 0 1 HKAF Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCCN1CCOCC1 13742564 QJXSUTAFYPJJJY-UHFFFAOYSA-N 412.533 5.056 0 1 HKAF Fc1ccc(C(OCC2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1 13746598 YVIKPHPWAZNXCC-UHFFFAOYSA-N 407.504 5.983 0 1 HKAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](CCCCCCCN)CC[C@]12O 13809025 VVNGDHRMTZOFJP-YWBSXBTGSA-N 405.667 5.420 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2cc(C)c(C)c(O)c2O1 14637684 CDFFZXPBQHQMNM-UXRPBPJUSA-N 410.642 8.292 0 1 HKAF O=C(CCCCCCc1ccccc1C(F)(F)F)c1ncc(-c2ccccn2)o1 14979870 AICMHQCGMXRJIQ-UHFFFAOYSA-N 402.416 6.131 0 1 HKAF O=C(OC[C@@H]1CCCN(CCCc2ccccc2)C1)c1ccc(-c2ccccc2)cc1 27201033 GQIUISIPQMWLHH-XMMPIXPASA-N 413.561 5.855 0 1 HKAF O=S(=O)(c1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccccc2)[nH]1)C(F)(F)F 28219514 NTSSQXLUZOIJSV-UHFFFAOYSA-N 421.227 5.344 0 1 HKAF COc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3 28646624 LRKOPUBXYKHIPM-HNPKZYAISA-N 412.577 5.260 0 1 HKAF CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1cccc(C(F)(F)F)c1 28759619 JSTFJBSMGBTUIR-UHFFFAOYSA-N 407.520 7.239 0 1 HKAF CC(C)(C)c1ccc(/C=C(/C(=O)Nc2ccc3c(c2)OCCO3)C2CCCC2)cc1 28863750 QNHQVQDVNSZFHO-CJLVFECKSA-N 405.538 5.968 0 1 HKAF COc1cc(O)c(C(=O)[C@@H]2[C@H](CC=C(C)C)C(C)=CC[C@H]2c2ccccc2)c(OC)c1 28964709 BYWWTSFMTOYXHJ-OTNCWRBYSA-N 420.549 6.315 0 1 HKAF biogenic COc1ccc(-c2cc3n(c2)-c2c(-c4ccc(OC)c(O)c4)csc2C3=O)cc1 45351437 WOKAGFBMVBHGQT-UHFFFAOYSA-N 403.459 5.140 0 1 HKAF CCCCC/C=C\CC[C@H](O)CCCCCCCc1nnc(Nc2ccccc2)o1 49033925 YAKKXBOEZRKELL-SJEJWHSFSA-N 413.606 6.974 0 1 HKAF Cc1ccc(C2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 66251098 VHAKZIYZGUCICC-UHFFFAOYSA-N 419.559 7.065 0 1 HKAF C[C@H]1[C@@H]2Cc3ccc(SC(=O)C(C)(C)C)cc3[C@]1(C)CCN2CCc1ccccc1 100798520 KOCJHEMKNBDMDI-KKCLFWLVSA-N 421.650 6.118 0 1 HKAF Nc1nccc(-c2cn(Cc3ccc(Cl)s3)c3ccc(Br)cc23)n1 103297230 ABAKWILRRNDVEI-UHFFFAOYSA-N 419.735 5.206 0 1 HKAF CCC[C@@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1cccc(Cl)c1)CCCC3 113123685 UPHXRGSIGCPUEP-QGZVFWFLSA-N 413.970 6.772 0 1 HKAF C[C@H](C(=O)O)c1ccc(-c2cccc(OC(=O)NCCc3ccccc3)c2)c(F)c1 143625730 GGTYUDFGNUVYIL-INIZCTEOSA-N 407.441 5.012 0 1 HKAF COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2ccccc2OC(C)C)C[C@@H]1C 169314523 SRHGMBJUUYCDFO-GNOCETLISA-N 420.509 5.354 0 1 HKAF O=C(O)c1ccc2nc(-c3cc4cc(F)ccc4o3)c(N3CCCCCC3)nc2c1 205439005 MHAKUCBRFOGKFE-UHFFFAOYSA-N 405.429 5.261 0 1 HKAF CCOc1cccc(F)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1ccc2oc3ccccc3c2c1 215903019 XJZTXMOXMDLNSA-IERDGZPVSA-N 417.480 6.234 0 1 HKAF Fc1cccc(CNc2ccc(F)c(-c3ccnc4[nH]c([C@H]5CCCNC5)cc34)c2)c1 226062525 WITIUJMWBTVWES-KRWDZBQOSA-N 418.491 5.587 0 1 HKAF CO[C@@H]1OC(=O)C2=C1CC[C@@H]1[C@]2(C)[C@H](O)C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C 238735634 LIUVCTFOPNCVFW-OXNPKBLJSA-N 416.602 5.242 0 1 HKAF CC(=O)N1c2ccc(Cc3ccc4c(c3)C(C)=CC(C)(C)N4)cc2C(C)=CC1(C)C 238767217 PDIPYWNMYSTLRW-UHFFFAOYSA-N 400.566 6.433 0 1 HKAF c1ccc(CN2[C@H]3CCCC[C@H]3C3=C([C@@H](c4ccccn4)ON3)[C@H]2c2ccccc2)cc1 254132103 JJQHRZMERXCEHL-QDSNZDMWSA-N 423.560 5.728 0 1 HKAF CCc1oc2ccccc2c1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586904023 PMZASNFWBKLTON-UHFFFAOYSA-N 409.205 6.320 0 1 HKAF Cc1cc(Cl)cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 586998748 PXRBRKPKOIXIMQ-CLFYSBASSA-N 413.702 6.718 0 1 HKAF CC(C)CCOc1cc2nc([C@H](O)c3ccccc3Cl)[nH]c2cc1Br 587059340 OSVZSYYQOLSMEJ-GOSISDBHSA-N 423.738 5.485 0 1 HKAF Cc1cnc(Cl)c2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc12 587070398 VFYMOFMQXHCUDV-AQTBWJFISA-N 408.332 6.747 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2c1 587082870 YCQSZRLEYFIUPT-UHFFFAOYSA-N 417.694 5.187 0 1 HKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(F)cnc(Br)c2[nH]1 587112500 HTFDZMRUKNOZPL-MRVPVSSYSA-N 402.189 5.225 0 1 HKAF Cc1c(Br)ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 587138203 ZZIGKOXEQFGCEZ-UHFFFAOYSA-N 402.036 5.342 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4ccc5c(c4[nH]3)CCCC5)cc2F)c1 587143091 KSGQXHUGNXTSAX-UHFFFAOYSA-N 406.888 6.577 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc(C)c(Cl)cc4[nH]3)cc2F)c1 587143259 ONHYVCRPFCACOQ-UHFFFAOYSA-N 401.268 6.660 0 1 HKAF Fc1cc(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)ccc1-c1ccccc1 587145214 IKVVNEGVBFQVPM-UHFFFAOYSA-N 402.416 6.572 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4cc(Br)ncc4[nH]3)c(Cl)c2)cc1F 587145570 MUCWEDQFWRXEGK-UHFFFAOYSA-N 416.681 6.155 0 1 HKAF C[C@H](CSc1ccc(F)cc1)c1nc2cccc(I)c2[nH]1 587170358 PILHNUPFKQRQFB-SNVBAGLBSA-N 412.271 5.202 0 1 HKAF Cc1nn(-c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)c(C)c1Br 587207528 GGMVYGWDTBXJPQ-UHFFFAOYSA-N 404.311 5.565 0 1 HKAF Cc1c(-c2cc(Br)ccc2OC(F)(F)F)nc2cccc3c2c1CC3 587210059 CMSZKPLXXOHYDI-UHFFFAOYSA-N 408.217 5.970 0 1 HKAF O=C(NCCc1nc2ccc(Sc3ccccc3)cc2[nH]1)OCc1ccccc1 587228119 IUTSGRGVJCREBN-UHFFFAOYSA-N 403.507 5.183 0 1 HKAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1 587233479 QGPUQFGXZJBUFJ-ROUUACIJSA-N 409.555 5.875 0 1 HKAF CCOC(=O)[C@@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@@H]1C 587363010 OOPHREHUNUINPB-CRAIPNDOSA-N 415.489 5.886 0 1 HKAF CCOC(=O)C[C@H](C(C)=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587364089 WPXZMEJMHRBGCQ-LJQANCHMSA-N 417.461 5.282 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)cc(CN3CCC[C@@H](C)C3)c1C)CC2=O 587475457 MDHNSWIRKQUGCQ-QUGAMOGWSA-N 421.581 5.900 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCC)(C1(c3ccccc3)CCNCC1)CC2=O 587485624 PSAZDGUODWCEEK-SANMLTNESA-N 407.554 5.170 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc(Nc3ccccc3)nc1C)CC2=O 587493014 FEQCZHVXDCDDOK-HSZRJFAPSA-N 408.523 5.734 0 1 HKAF O=C1C[C@@](c2ccc(Cl)cc2)(c2cc(F)ccc2O)Oc2c1ccc1c2CCCC1 587507965 WPNLMBZPKREACJ-RUZDIDTESA-N 422.883 5.973 0 1 HKAF COc1ccc([C@]2(C(C)(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 587570423 WVVKWGZSAFLJDP-OFVILXPXSA-N 422.452 5.443 0 1 HKAF CCCN(CCC)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587573955 VJWWLCQCNCJBEP-ZEQKJWHPSA-N 417.505 5.722 0 1 HKAF CC[C@]1(c2ccc([C@@H](C)OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592394 GWPWQUGEWPWTRT-QOFFVNHYSA-N 404.462 5.367 0 1 HKAF CCCc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC 587595670 LTKXUSDBEKWRCA-WIOPSUGQSA-N 404.462 5.446 0 1 HKAF Cc1cc(C)c2c(c1)[C@]1(CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605879 BHZDJBOKFAPCEX-BWKNWUBXSA-N 402.446 5.039 0 1 HKAF CC(C)(C)Sc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606544 HZLGJHPPUMPJQN-PXDATVDWSA-N 420.530 6.160 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(C)(C)C)c(-n3nnn(-c4ccccc4Cl)c3=O)c2c1 587641630 NTVOKNKYTUMLLW-CQSZACIVSA-N 423.948 5.364 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1c(Cl)cc(F)cc1Cl 587655405 GCUDMCTWJMFRQD-UHFFFAOYSA-N 421.205 5.777 0 1 HKAF CC(C)=C[C@H]1[C@@H](C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)C1(C)C 587657179 XWKKUMQCIMPXST-PXNSSMCTSA-N 408.448 5.220 0 1 HKAF COc1cc(C)c(Cl)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587692114 JVKRHGRUIRFPCM-WLRWDXFRSA-N 412.730 5.356 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3cccn3)cc2Cl)N1 587693902 KJWUWVFWFHKQET-WYRIXSBYSA-N 420.713 5.051 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2ccc(Cl)cc2)N1 587697466 GQFULSUONKPGTH-FUKJIOSGSA-N 423.757 5.095 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(Cl)c3)o2)N1 587700751 LZZMOSMUXRLVOH-YBTHPKLGSA-N 420.709 6.125 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCc3ccc(Cl)cc32)N1 587703243 XNROEFHMIWUARZ-MPBGBICISA-N 408.742 5.746 0 1 HKAF CC[C@@]1(c2c(F)ccc(F)c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587716237 JNRXDAATPVQASQ-DYBLOJMWSA-N 402.229 5.193 0 1 HKAF Cc1cc(C)c(-n2cccn2)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587756329 DBFSDQJQJVVVMA-VLIAUNLRSA-N 414.322 5.014 0 1 HKAF COc1ccc(-c2cccc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c2)cc1O 587787862 YUOPCWFYFAZGOF-UHFFFAOYSA-N 420.468 5.842 0 1 HKAF CC(C)COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587795869 SJMAEGIUHDDKJC-LHSJRXKWSA-N 406.339 5.421 0 1 HKAF Cc1ccc(OCC2CC2)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587805075 GLCONRLHKTUKJY-LRTDBIEQSA-N 404.323 5.309 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccccc2)N1 587809637 ARKUXNFUKGLHRP-QMHKHESXSA-N 410.330 5.609 0 1 HKAF CC(=O)c1c(C)cc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587815059 KCHDGWSKMJRGRD-LAJNKCICSA-N 404.323 5.340 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cs2)N1 587849682 VHMMCLKIASRZRR-JKYUHCHBSA-N 405.130 5.036 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(Oc2ccccc2)c1 587870645 ODBCCWWVBQALPJ-UHFFFAOYSA-N 402.425 5.569 0 1 HKAF COc1cccc(-c2cccc(-n3c(-c4cccs4)ccc3-c3cccs3)c2)c1 587938522 YVAWNTOONHQIAW-UHFFFAOYSA-N 413.567 7.610 0 1 HKAF CC(C)c1cc(OC(C)(C)C)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1O 587941109 RNACQIYCDNWDAD-SFHVURJKSA-N 423.395 5.560 0 1 HKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587952147 ZFFZENNJFGGTPB-NSHDSACASA-N 411.255 5.317 0 1 HKAF COc1ccc2c(c1OC)[C@]1(CC3(CCCCC3)Oc3cc(O)ccc31)N(C)[C@H](C)C2 962626807 NYENCWUIURKDNS-WGDIFIGCSA-N 423.553 5.015 0 1 HKAF C[C@H](c1cccc(Br)c1)[C@@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962706707 OCIGYZKDVHFFMR-DAESXHAQSA-N 420.391 5.797 0 1 HKAF COc1ccc(C(=O)Oc2cccc3ccc(-c4cccc(C(F)(F)F)c4)nc23)cc1 1857563350 VBZNTXYGCXKANL-UHFFFAOYSA-N 423.390 6.148 0 1 HKAF Fc1cc(Cl)ccc1-c1nc2ccc(-c3ccccc3)cn2c1CN1CCOCC1 1857654488 VGQMRKRGOSYNBP-UHFFFAOYSA-N 421.903 5.293 0 1 HKAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@]2(C)C[C@@](C)(CCC(=O)O)CC[C@]12C 2356400787 KENPOJGXNZZKMX-ASQKCUTDSA-N 416.646 6.886 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](C)[C@H]12)C(C)C 2356621980 XEEOCMDRLJGHAY-YRMOBPDTSA-N 414.718 7.881 0 1 HKAF N[C@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2nncc3ccccc23)n1 61907699 PQLUHQFLWXKCKY-MRXNPFEDSA-N 415.444 5.091 0 3 HKAF CC(C)N(C[C@@H](O)COc1cccc2ccccc12)C(=O)c1cccc2ccccc12 771832 WEWCFNDQZHZLFP-JOCHJYFZSA-N 413.517 5.284 0 1 HKAF O=C(NCc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1c(F)cccc1Cl 2484733 MWBZFXWUUGYHIX-UHFFFAOYSA-N 424.834 5.870 0 1 HKAF C/C(=C\CC/C(C)=C/CCc1ccoc1)CC/C=C1/CC[C@H](O)[C@H](C)C(=O)OC1 13373883 VRWCUJQWBMHNBO-MJGZZVEBSA-N 400.559 5.926 0 1 HKAF Cc1cc(C)c(C2(CNC(=O)Nc3c(C(C)C)cccc3C(C)C)CCCC2)c(C)c1 13736859 PSHNBGFYCZLGJR-UHFFFAOYSA-N 420.641 7.492 0 1 HKAF CCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCC 13766119 IRYRMYBLFNDWKY-GWEUNTIUSA-N 401.679 8.075 0 1 HKAF Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3cccc(Cl)c3)ccc2n1 13835528 ZXVBNLOWQFGSTE-UHFFFAOYSA-N 417.896 5.610 0 1 HKAF CC1(C)CCC(C)(C)c2cc([C@@H](O)c3ccc4cc(C(=O)O)ccc4c3)c(O)cc21 26728532 GNLCQYSHXWTHJB-QHCPKHFHSA-N 404.506 5.674 0 1 HKAF O=Cc1cc(-c2ccc(/C=C/C(=O)O)cc2)cc(C23CC4CC(CC(C4)C2)C3)c1O 28825689 JQHGOSUXAZLDTI-ZZXKWVIFSA-N 402.490 5.437 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 34951184 JZVFJDZBLUFKCA-AEZBBEDMSA-N 412.702 7.801 0 1 HKAF CNCCNCc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cc1 45166871 YCGVMSPSCCSQJZ-UHFFFAOYSA-N 424.470 5.225 0 1 HKAF COc1ccc(Cl)cc1-n1ncc(-c2nnc(-c3ccc(Cl)cc3)o2)c1C 45245794 ISWFPJKNRCIKON-UHFFFAOYSA-N 401.253 5.213 0 1 HKAF C[C@@]1(c2ccc(Cl)cc2)C(=O)C(c2ccc(Cl)cc2)=Nc2nc3ccccc3n21 66099774 ZXXOLHDCJJUNQR-HSZRJFAPSA-N 420.299 5.810 0 1 HKAF CC(=O)N1CCC(/C=C/c2nc3ccc(-c4ccccc4C(F)(F)F)cc3[nH]2)CC1 73334891 UXKCATZDASDDGR-RMKNXTFCSA-N 413.443 5.520 0 1 HKAF CCCCNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 82145112 ZRHVKZXRQGYKEA-OZROYSPXSA-N 420.601 5.465 0 1 HKAF CCOc1ccc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccccc3)n2)cc1 82163145 BKUDRSCZWNNLPW-UHFFFAOYSA-N 400.482 5.160 0 1 HKAF Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc(C)c(C)o2)c1 82173048 DUGTYSSATNEJPV-IOYVRGJCSA-N 416.569 6.206 0 1 HKAF Fc1ccccc1-c1nc(NC2CCCC2)ncc1-c1ncc(-c2ccccc2)s1 82175066 NMHDOQSUHKMTII-UHFFFAOYSA-N 416.525 6.428 0 1 HKAF Cc1cnc(-c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccccc2C)o1 82177039 ZPPGELSDMZCOQE-UHFFFAOYSA-N 424.426 6.046 0 1 HKAF O=C1CC[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1 95575005 RDHVCJHUOZVLKZ-ISKFKSNPSA-N 410.344 6.641 0 1 HKAF CCCCCn1c2ccccc2c2cc(C(=O)NCCc3ccc(Cl)cc3)ccc21 96938073 ZHOSUVSORHKTJV-UHFFFAOYSA-N 418.968 6.611 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)N1[C@@H]2CC[C@@H]1CC([S@@](=O)c1ccccc1)C2 101271161 BPWKPRCUECQNRN-RIYSCVPDSA-N 422.472 5.041 0 1 HKAF CC(C)(C)C(=O)N1CCC(N(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 103232446 PJARPEFKLCVCAE-UHFFFAOYSA-N 405.464 5.276 0 1 HKAF COc1ccc(C)cc1C1=C(Br)C(=O)O/C1=C\c1cccc(Cl)c1 103259305 MMOSFYFQOPDCOA-YBEGLDIGSA-N 405.675 5.361 0 1 HKAF O=C(CCC1CCCC1)Nc1nn2cccnc2c1-c1ccc(C(F)(F)F)cc1 165565588 XCNDMSWDIUQYLG-UHFFFAOYSA-N 402.420 5.324 0 1 HKAF CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CCC4=C(C(=O)O[C@@H]4C)[C@@]3(C)[C@@H](O)C[C@H]21 197330647 ZJHCKXNQASXDJG-JQKONRONSA-N 414.630 6.048 0 1 HKAF CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC/C=C\c1ccc(O)cc1 238757103 QOCYQTFIOOTBKG-UBUOEUCZSA-N 410.598 7.538 0 1 HKAF O[C@@H]1CN2CCC/C=C/CCCCCC3=C[C@@H]4CN5CCCC/C=C\CC[C@@](C2)([C@H]14)[C@@H]35 238788427 SVFQETJDDGVUQV-WIYVOZTQSA-N 424.673 5.327 0 1 HKAF Cc1ccc(S(=O)(=O)N2N=C(C(F)(F)F)C[C@H]2c2ccc3ccccc3c2)cc1 299839161 QKVOXRREWKCNEH-IBGZPJMESA-N 418.440 5.202 0 1 HKAF CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1cc(-c2ccccc2C)nc2ccc(OC)cc12 299853680 OJCPARDRPQNHLD-YOAXHERRSA-N 416.565 5.373 0 1 HKAF CCN(CC)CCCCCCCC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 299870855 WYGDKFREYAXKEJ-UHFFFAOYSA-N 416.591 5.016 0 1 HKAF COc1ccc2[nH]c(-c3ccccc3)c(C(=O)c3cc(OC)c(OC)c(OC)c3)c2c1 473107015 ZXIRUDOZUDGXLE-UHFFFAOYSA-N 417.461 5.100 0 1 HKAF COC(=O)c1cc(Br)c2[nH]c(CSc3ccc(C)cc3C)nc2c1 586962929 CJKJKPYJABKBRZ-UHFFFAOYSA-N 405.317 5.021 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2ccc(OC)cc2[nH]1 586982455 ZATIRRFDSXDGBO-UHFFFAOYSA-N 403.320 5.960 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C(CSc1ccccc1)=CC3 586993907 LSLMODAULUJVLP-UHFFFAOYSA-N 407.494 5.884 0 1 HKAF CC(C)COc1cc2nc([C@H]3Cc4ccccc4S3)[nH]c2cc1Br 587043600 SVZKTDBCJRLHQF-GOSISDBHSA-N 403.345 5.750 0 1 HKAF Clc1cccc(/C=C/c2nc3c(Cl)c(Br)cnc3[nH]2)c1Cl 587053908 JJFIOHPXXYASMO-SNAWJCMRSA-N 403.494 5.851 0 1 HKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1 587068096 YJMGFXCHIPMCRA-UHFFFAOYSA-N 402.803 6.061 0 1 HKAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(F)c(Br)ccc2[nH]1 587077504 ZQHXMUBEECVXBM-UHFFFAOYSA-N 418.653 5.553 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c(Cl)ccnc4[nH]3)c(Cl)cc12 587078688 ZQADUFBLONDLKX-JTQLQIEISA-N 418.280 5.464 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3cc4ccccc4c(Cl)n3)nc2c1 587086218 XPAGZRLJTSQPKZ-UHFFFAOYSA-N 415.724 6.469 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(F)cc(F)c2[nH]1 587086456 KRJYVCFFQAJPGS-VOTSOKGWSA-N 419.262 5.872 0 1 HKAF O=C1c2ccccc2-c2c(Cc3cncc(Br)c3)cnc3cccc1c23 587100802 AOUZACUCWDTNED-UHFFFAOYSA-N 401.263 5.195 0 1 HKAF CCCCCc1c(-c2cccc(OC)c2)nc2cccc3c2c1-c1ccccc1C3=O 587107054 MNZJXZUUXKESIJ-UHFFFAOYSA-N 407.513 6.855 0 1 HKAF COc1cccc([C@H]2CC(=O)Cc3nc4cccc5c4c(c32)-c2ccccc2C5=O)c1 587107489 UAVZBBZOZKIKSJ-OAQYLSRUSA-N 405.453 5.102 0 1 HKAF CCCCOc1cc2nc(-c3cc(F)c(OC)c(F)c3)[nH]c2cc1Br 587134849 OYYUIHHNWZENKK-UHFFFAOYSA-N 411.246 5.458 0 1 HKAF COc1ccc(NC(C)(C)c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 587204842 MLBYKPAJEVCQNS-UHFFFAOYSA-N 414.534 6.195 0 1 HKAF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc5nc(C)ccc5c4[nH]3)c2)c1 587234719 IEYOPAULBYHMQU-UHFFFAOYSA-N 406.489 5.037 0 1 HKAF C[C@@]1(c2cc3cc(F)ccc3o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331463 HDTIUSPEIPIREK-VWNXMTODSA-N 406.384 5.691 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2cc3ccccc3o2)(C2CC2)[C@H]1c1ccc(F)cc1 587351752 JKHOVAAIZJRHBQ-AZGAKELHSA-N 414.432 5.942 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CC4(C[C@H]32)OCCO4)c1 587364248 ATQNOLNZFKXXFH-APWZRJJASA-N 413.473 5.449 0 1 HKAF COc1cc(CCCC(F)(F)F)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587380461 FFGGDNQHERYQGE-SFHVURJKSA-N 423.431 5.186 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-c3ccc(C(F)(F)F)cc3)cc1)O2 587382719 RGOVNXUJTWLADS-QHCPKHFHSA-N 411.423 6.144 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1ccc(Cl)cc1)(c1cccc(F)c1)CC2=O 587466734 MLQVONNBNYJGIG-VWLOTQADSA-N 424.899 6.241 0 1 HKAF CC[C@@]1(c2ccc(Br)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587503257 GBVDVUGFVDWQHJ-NRFANRHFSA-N 403.291 5.738 0 1 HKAF CC(C)(C1CCC(=O)CC1)C1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587521920 DREGBEXTBIZJBX-UHFFFAOYSA-N 408.582 6.245 0 1 HKAF C[C@H](Oc1ccc(-c2ccccc2)cc1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587524451 QQNFJILPUANZRX-VKGTZQKMSA-N 412.529 6.424 0 1 HKAF COc1ccc([C@]2(C(C)(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587600982 PQRDOIYWEDRULF-BWKNWUBXSA-N 404.462 5.304 0 1 HKAF C[C@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613266 NPXQFLVROWZEMR-QFBILLFUSA-N 417.280 5.093 0 1 HKAF CC[C@@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)c1ccccc1 587656040 UPHYOFDNSQADGB-QGZVFWFLSA-N 404.416 5.176 0 1 HKAF Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]c2ccc(Cl)cc12 587702887 XCYMJRFBBGAJAI-HOGDKLEQSA-N 407.714 5.655 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)cc(C(F)(F)F)c2)N1 587711436 KDOKXOAVRMAQSO-XLFHBGCDSA-N 420.219 5.544 0 1 HKAF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1C(F)F 587720368 STCUYRHZEPHREO-XYZCENFISA-N 400.238 5.158 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2SC(F)(F)F)N1 587724145 ZYYUQLRHFIWAGE-XXFAHNHDSA-N 420.269 5.824 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccccc1N(C)c1ccccc12 587770409 QHUYNXNUIGHBKR-AWEZNQCLSA-N 423.329 5.496 0 1 HKAF CC(C)C/C=C(/c1ccccc1)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587821891 YLINRLILGLKXPU-ZPYIXXMXSA-N 402.351 6.293 0 1 HKAF CC(C)(C)c1ccc(-c2cc(O)n(NCc3ccccc3Br)c2O)cc1 587941995 XILHWZJDNWZNIX-UHFFFAOYSA-N 415.331 5.370 0 1 HKAF CC(C)CCCCCCCCCCCCCCCCCc1nc2cncnc2[nH]1 587957525 MOXWDVWDIALJNK-UHFFFAOYSA-N 400.655 7.793 0 1 HKAF CCCCOc1cc2nc(/C=C(/CC)c3ccc(C)cc3)[nH]c2cc1Br 587969021 XULNRJJXSKGJIU-VBKFSLOCSA-N 413.359 6.763 0 1 HKAF CC(C)CNC(=O)CN1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1cccs1 618016721 CZEZDDXJMOLHOL-HSZRJFAPSA-N 409.555 5.150 0 1 HKAF CC(F)(F)c1nn2cc(-c3cc4c(OCc5ccccc5)cccc4o3)nc2s1 653762205 ALRJLXDRBHPVLV-UHFFFAOYSA-N 411.433 5.895 0 1 HKAF CCc1ccc([C@]2(c3ccc(C)nc3)c3cc(OC)ccc3CCN2C(C)C)cc1 962094884 UANRRWMLDXCINF-MHZLTWQESA-N 400.566 5.519 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(COc3cccc(Cl)c3)o2)N1 962950359 MPCSHONJXCOMFI-UPCLLVRISA-N 406.913 6.007 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccn2-c2ccc(Br)cc2)N1 962958308 PPUQYOUPJLFPOO-QMHKHESXSA-N 420.354 5.735 0 1 HKAF CCCCCOc1ccc([C@@H]2NCCc3cnc4c(OC)cccc4c32)cc1OCC 963052762 DTLILHVHPQHNKH-VWLOTQADSA-N 420.553 5.446 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cc(C(F)(F)F)ncc1Br 963235330 VWZNAUGQBFRYOW-KZULUSFZSA-N 413.281 5.609 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@]2(C[C@@H](C)CC(=O)O)c1ccc(Cl)c(C)c1 963258132 NQFYYXYPXHBCDA-WHEQGISXSA-N 422.352 5.201 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCC1OCCCO1)c1ccc(F)c(F)c1 963260546 YBWAZWZMXLERPW-BVZFJXPGSA-N 415.524 5.408 0 1 HKAF CN1c2ccc(F)cc2C(=O)N2CCn3c(cc4cc(OC5CCCCC5)ccc43)[C@@H]21 1857546128 YORYGRDKNWTDBG-XMMPIXPASA-N 419.500 5.096 0 1 HKAF CC[C@@H]1[C@@H]2C[C@H](C)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]2[C@@H]1O 1857629162 HMFFTLAHHVVFKO-ZHWSUUDBSA-N 418.662 6.389 0 1 HKAF CC1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)O[C@@H]3Nc3ccc(F)cc3)[C@H](C)CC[C@@]12C 1857640492 BLWCDPHEUNTQGA-XYCLDAKMSA-N 411.561 6.626 0 1 HKAF CCOC(=O)c1c(Cc2ccc(Cl)c(Cl)c2)[nH]c2c1cc(O)c1ccccc12 1857652707 DGMIWLMUKBONML-UHFFFAOYSA-N 414.288 6.101 0 1 HKAF O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ncccc1OCc1ccc(Cl)cc1 1857771269 SRBBWKHCVVYSMB-UHFFFAOYSA-N 422.699 6.265 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)C5=CC[C@]43C)[C@H]2C1 2356471977 HANKWAXOCUEZTC-KNDZKTHNSA-N 422.697 8.297 0 1 HKAF CC(C)[C@@H]1[C@@H](C)[C@H]1C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356552678 YQSCMUYRADBXNP-DUMSRBRUSA-N 414.718 7.571 0 1 HKAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@]2(C)C[C@H](C3=CC(=O)O[C@H]3O)C[C@@H]12 2356755800 VLTYUYLIFSQZKQ-JQIGQANSSA-N 400.603 5.863 0 1 HKAF Cc1cccc(-c2nc3c(s2)CCc2onc(-c4ccc(Br)cc4)c2-3)c1 15935439 VYUDWVJIAPYYJY-UHFFFAOYSA-N 423.335 6.302 0 3 HKAF Cc1ccc(NC(=O)[C@]2(C)CCN2C(=O)CC(c2ccccc2)c2ccccc2)cc1 61898349 KPMIRRLHWDLBIJ-MHZLTWQESA-N 412.533 5.147 0 3 HKAF CC(C)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(-c2ccccc2)cc1 2481759 UUDWUSDUPPKHQT-UHFFFAOYSA-N 416.908 6.467 0 1 HKAF CC(C)=CCC[C@]1(C)C=Cc2c(cc(O)c3c2O[C@@H](c2ccc(O)cc2)CC3=O)O1 13379911 VSBUTPUUSVOZDI-PXDATVDWSA-N 406.478 5.715 0 1 HKAF biogenic O=C(O)c1ccc(OCCCc2cc3c(cc2O)C[C@H](CCc2ccccc2)O3)cc1 13453300 UBYBQLNYPJUZBV-QHCPKHFHSA-N 418.489 5.038 0 1 HKAF CSc1cccc(CSc2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)c1 13491668 ASBZBKYBILPACG-UHFFFAOYSA-N 407.539 6.292 0 1 HKAF O=c1c2ccccc2c(-c2ccccc2)nn1CCCCCCCCn1ccnc1 13600464 YYFLMHFDTOAEKY-UHFFFAOYSA-N 400.526 5.301 0 1 HKAF CN(C)CCCNc1ccccc1-c1ccccc1NC(=O)Cc1ccc(Cl)cc1 27712538 AZWAAPJAXVPYMQ-UHFFFAOYSA-N 421.972 5.552 0 1 HKAF C[C@H]1OC(=O)[C@@H]2C[C@@H]3COCC[C@H]3[C@H](/C=C/c3ccc(-c4ccccc4Cl)cn3)[C@H]12 28712071 KRERNLAFZQQVRG-CEBWBDALSA-N 423.940 5.266 0 1 HKAF O=C(Cn1c(CC(F)(F)F)nc2cc(Cl)c(Cl)cc21)c1ccc(Cl)cc1 28817733 OTTBCGQFQNWRTO-UHFFFAOYSA-N 421.633 5.984 0 1 HKAF COC(=O)c1ccc(-c2cnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)nc1 29151233 YCFSTUHXSBUDTK-UHFFFAOYSA-N 412.445 5.006 0 1 HKAF CCOC(=O)c1c(Cc2cccc(Br)c2)[nH]c2c1cc(O)c1ccccc12 40937021 MYKRTAFWBNRYFO-UHFFFAOYSA-N 424.294 5.557 0 1 HKAF COc1ccc(-c2cccc(C(=O)N[C@H](CCN(C)C)c3ccc(Cl)cc3)c2)cc1 45283577 UMGBAUKDSHJSOC-XMMPIXPASA-N 422.956 5.438 0 1 HKAF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3[nH]c4c(C)cccc4c3[C@H]21 64426551 YREOMDPTBFFMDH-BIYCFNCWSA-N 415.577 6.985 0 1 HKAF C/C(=C/CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CO 78277787 CLACDUUQGFRYIM-QHYPZIEJSA-N 400.647 6.281 0 1 HKAF CC1CCC(NCc2ccc3c(c2)CC2=C(c4ccc5c(c4)OCO5)N=N[C@@H]23)CC1 87612888 SGJMWENNIXDLHU-VKNUARCASA-N 401.510 5.558 0 1 HKAF Cc1ccc(Oc2c(C(=O)N3CCCC[C@H]3c3cccnc3)c(C)nn2C)c(Cl)c1 95590875 HPHQFQWTWYYJPY-IBGZPJMESA-N 424.932 5.245 0 1 HKAF COc1c2occc2c(-c2ccc(/C=C/C(=O)OC(C)(C)C)cc2)c2ccc(=O)oc12 95594602 MRNRYTRRVXCTGY-YRNVUSSQSA-N 418.445 5.570 0 1 HKAF COc1cc(OCCN(C)C)c2c(c1)C(C)(C)[C@H](c1ccccc1)[C@H]2c1ccccc1 95604782 GVUXUPKQSCRPTQ-AHKZPQOWSA-N 415.577 5.843 0 1 HKAF O=C1CS[C@H](c2cccc3ccccc23)N1c1nnc2c3ccccc3nc-2s1 98083911 KFXFJPGGVXPEHI-OAQYLSRUSA-N 414.515 5.123 0 1 HKAF CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2cccs2)C2=C(O)CC(C)(C)CC2=N1 103939937 UHSOFYJMPZOAMG-NRFANRHFSA-N 407.539 5.535 0 1 HKAF Cc1ccc(-c2c([C@@H](OC(C)(C)C)C(=O)O)c(C)nc3sc4c(c23)CCCC4)cn1 113125550 ZPVZMJDEABMWMW-OAQYLSRUSA-N 424.566 5.795 0 1 HKAF O=C(Nc1c(F)cccc1F)c1ccc(-c2cc3scnc3cc2Cl)s1 114456020 BPMPEFMAQOLROE-UHFFFAOYSA-N 406.866 6.209 0 1 HKAF CC(C)=C1CC[C@]2(C)[C@@H](O)CC[C@H]3[C@](C)(Cc4c[nH]c5ccccc45)[C@@H](C)CC[C@]132 139376923 YPVANRVLBISMCS-HCCSKZQKSA-N 405.626 7.040 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3ccnn3C)c2)cc(-c2ccc3occ(C)c3c2)n1 142909631 HSGQUHOTRAUICV-KRWDZBQOSA-N 423.520 6.080 0 1 HKAF CCCCCCCCS(=O)(=O)Nc1ccc(-c2cccc(F)c2)cc1C(=O)O 143777927 LOZYIJUMKYMRSR-UHFFFAOYSA-N 407.507 5.293 0 1 HKAF c1ccc(-c2csc3ncnc(N4[C@H]5CC[C@H]4CC(CN4CCCC4)C5)c23)cc1 146434138 WZKYLZZSFJHIPY-PMACEKPBSA-N 404.583 5.202 0 1 HKAF Fc1cc(F)cc(-c2ccc3onc(C(F)(F)c4ccc5ncccc5c4)c3n2)c1 166099078 ADSWDDIPASPKGY-UHFFFAOYSA-N 409.342 5.856 0 1 HKAF CN1CCc2c(c3cc(Cl)cc(Cl)c3n2CCCOc2ccc(Cl)cc2)C1 169350504 VTHABPCTQXJGQD-UHFFFAOYSA-N 423.771 6.059 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@@]21C)C(C)C 205010523 ROTWMWMXABSNJC-JBCWEXJUSA-N 424.669 7.519 0 1 HKAF CCCCC[C@@H](C)C/C=C\C/C=C\C/C=C/C/C=C\CC[C@@H](C)C(=O)NCCF 231934557 MHVQQJCJBNFDST-RAJDWDSJSA-N 405.642 7.490 0 1 HKAF CC(=O)N(C)c1ccc(OCc2ccc(C(F)(F)F)cc2C(=O)OC(C)(C)C)cc1 263621321 YZWZMPWHXSZLBQ-UHFFFAOYSA-N 423.431 5.222 0 1 HKAF in-vitro CCN(CC)CCn1c(=N)n(CCCc2ccc(Cl)cc2Cl)c2ccccc21 299819919 FAHINFWVZIKAKE-UHFFFAOYSA-N 419.400 5.204 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(C(F)(F)F)cc(F)cc4[nH]3)cc2)CC1 586881983 ZHGLSNGPXFCCOA-WKILWMFISA-N 418.478 7.852 0 1 HKAF Cc1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cc1Cl 586965325 IUNMGBYMOCAXBI-UHFFFAOYSA-N 409.946 5.334 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(O)c(C(F)(F)F)c4)nc13)-c1ccccc1C2=O 586993006 JLSIENWLTPFOTE-UHFFFAOYSA-N 405.375 6.146 0 1 HKAF Cc1nc(Br)sc1-c1nc2cc(Br)cc(Cl)c2[nH]1 587011325 NMHUJLAWUZVDHM-UHFFFAOYSA-N 407.518 5.173 0 1 HKAF FC(F)(F)c1c(Br)ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 587023556 LXSOHAGDVBZFJW-UHFFFAOYSA-N 424.245 6.135 0 1 HKAF N[C@@H](Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccccc1Cl 587058577 XHQPDBCGBLOSFS-LBPRGKRZSA-N 418.644 5.240 0 1 HKAF Cc1cc(Br)cc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587074752 XHSJTQUMLIUVRM-KRWDZBQOSA-N 404.739 5.624 0 1 HKAF O=C(O)c1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2cc1F 587082010 CIVMAQNIKYUEMG-UHFFFAOYSA-N 417.827 5.936 0 1 HKAF CCc1c(-c2ccc(OC(F)(F)F)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587104020 PXQIODHRZTWUBU-UHFFFAOYSA-N 419.402 6.574 0 1 HKAF Oc1cccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c12 587161597 YKKJCDNHLTWQLN-UHFFFAOYSA-N 400.207 5.024 0 1 HKAF Brc1ccc(Oc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)cc1 587208708 XUXMNJARLACMSC-UHFFFAOYSA-N 402.291 6.555 0 1 HKAF CCC(=O)Nc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587335297 LCATXYFLGUKEDB-ILBGXUMGSA-N 419.452 5.154 0 1 HKAF COc1ccc([C@H]2C[C@@H]2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587348654 HKJOOLJOYYCMLL-CDTXBXJGSA-N 418.464 5.461 0 1 HKAF COc1cccc(-c2cc(-c3cnc4cccnc4c3)nc3c2oc2ccccc23)c1 587363647 RWHYFVMVSSCDBP-UHFFFAOYSA-N 403.441 6.267 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-c3ccc(C(=O)O)c(Cl)c3)cc1)O2 587375394 MFEMWJDUPBFKNM-XMMPIXPASA-N 421.880 5.476 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccc(Cl)cc1)(c1ccccc1C(=O)O)O2 587375889 AMWSVLYMYQKDIM-DEOSSOPVSA-N 421.880 5.032 0 1 HKAF COc1ccc([C@]2(Cc3ccc4ccccc4n3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587394219 DTRFZAZTGRFTNA-MHZLTWQESA-N 424.500 5.237 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccc(Cl)c3Cl)s1)O2 587410130 LLQGDZGSIUZNKH-INIZCTEOSA-N 404.318 6.319 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2C[C@H]3C[C@@H]1C[C@@](Br)(C3)C2 587455369 BCLKIBGGBABTPY-SFVQPNDDSA-N 405.332 5.022 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)c2ccc(Br)cc21 587457601 LDWHDWMXHCQRHE-JOCHJYFZSA-N 415.327 5.649 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1OCc1ccccc1)CC2=O 587463149 UZNSGXOKNSCGOR-DEOSSOPVSA-N 422.908 6.284 0 1 HKAF CCCCOc1ccc2ccccc2c1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587478679 GVXPKGCPQHSCNW-XMMPIXPASA-N 404.506 6.383 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc3cc(O)ccc3c1)CC2=O 587487061 YLRKXIGYTBFSTK-MUUNZHRXSA-N 424.496 6.113 0 1 HKAF O=C1C[C@H](c2cc3ccc(C(F)(F)F)cc3s2)Oc2c1ccc1c2CCCC1 587504716 FWUPMFXWUYXVKA-GOSISDBHSA-N 402.437 6.505 0 1 HKAF O=C1C[C@](c2ccc(F)cc2)(c2cnc3ccccc3c2)Oc2c1ccc1c2CCCC1 587509296 RDRAKXYKIRUKSA-NDEPHWFRSA-N 423.487 6.162 0 1 HKAF O=C1C[C@]2(CCCc3nc(-c4ccccc4)sc32)Oc2c1ccc1c2CCCC1 587535460 KYKIJRXBXDUVQT-VWLOTQADSA-N 401.531 5.886 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2Cl)o1 587546789 KPUXTJMDWXJRCV-URXFXBBRSA-N 418.832 6.009 0 1 HKAF COc1ccc(C(F)(F)F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549568 QWXGIWQAJRPNAY-RXVVDRJESA-N 416.351 5.123 0 1 HKAF COc1ccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 587599310 FAAZJLFKRCHEMH-RPLLCQBOSA-N 424.452 5.771 0 1 HKAF O=C(c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1)C1CCC1 587600339 APFHHJDOFXGOOU-BWKNWUBXSA-N 400.430 5.078 0 1 HKAF Oc1ccc(Br)cc1-c1[nH]c2cc(F)ccc2c1-c1ccccc1F 587634125 ARWLDAWLFZOJOF-UHFFFAOYSA-N 400.222 6.248 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3O)c(C(=O)c3ccc(Cl)cc3)c2c1 587640774 JFISDSOJEGNAQG-HNNXBMFYSA-N 403.909 6.938 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3c(Cl)ccc(F)c3Cl)c(C(=O)C(=O)OC)c2c1 587643145 RWRLFLWTVBEBRS-SNVBAGLBSA-N 422.283 6.150 0 1 HKAF Cc1[nH]c2ccc(Cl)cc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587700184 SAQXHUAKEAIKEQ-ZRNGKTOUSA-N 407.714 5.655 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cccc2C(F)(F)F)N1 587714154 VFKNPRKOTVLEIO-ZKANADHPSA-N 422.647 5.884 0 1 HKAF COc1c(F)cc(F)cc1CC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587714680 AZZYJULDMJSFCG-MLCYQJTMSA-N 414.265 5.083 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(C(F)(F)F)cccc32)N1 587715088 RHOCPJRQEVDEJS-XTZNXHDOSA-N 414.240 5.331 0 1 HKAF CCOc1ccccc1OCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587779705 DTBILMOIFGTGMD-UHFFFAOYSA-N 415.209 5.322 0 1 HKAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)cc1 587784215 FWCPAHROYBPZCG-UXHICEINSA-N 400.503 5.658 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3c(s2)CC(C)(C)CC3)N1 587856981 JUYFMSJADJQHQZ-BMLIUANNSA-N 409.368 5.183 0 1 HKAF O=C(c1cccc(COc2ccc(Cl)cc2)c1)n1nc2cc1Oc1ccc(F)cc1-2 587873364 AEYNJAHKUCSFIM-UHFFFAOYSA-N 420.827 5.716 0 1 HKAF FC(F)(F)C(F)(F)c1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cn1 587956765 WAUCFSSKSAHZRB-INIZCTEOSA-N 417.381 5.987 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c(C)ccnc2[nH]1 587958751 HTWFRIYBZHBVNT-ZACMJQCDSA-N 417.641 8.121 0 1 HKAF COc1ccc2c(c1OC)[C@@H](c1c(OC(C)C)ccc3ccccc13)N(C)[C@H](C)C2 962626759 GDDKJUSAAIOHCZ-NSYGIPOTSA-N 405.538 5.610 0 1 HKAF Brc1ccc2c(c1)[C@@]1(CCCN2)NCCc2cc(-c3ccccc3)ccc21 962662908 CYRHSWXFMQUUAK-DEOSSOPVSA-N 419.366 5.711 0 1 HKAF Cc1ccc(CC[C@@]2(c3ccc(F)c(F)c3)NCCc3c2c(C(C)C)nn3C)cc1 962913013 BFGCHEPCZBVXLE-VWLOTQADSA-N 409.524 5.152 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(CC(C)C)cc2)(c2cccs2)N1 962944227 HICGPVDWUJKFSN-ZBLYBZFDSA-N 414.618 6.644 0 1 HKAF FC[C@]1(c2ccc(Cl)cc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962962659 WMYDPUVHEMOYGW-HXUWFJFHSA-N 413.842 5.223 0 1 HKAF COc1cccc2c1CCC([C@@H]1NCCc3cnc4c(OC)cccc4c31)=C2Cl 963059380 QZCBBFWOJZPVAO-DEOSSOPVSA-N 406.913 5.035 0 1 HKAF COc1ccc([C@]2(c3cccc(C)c3)c3ccc(F)cc3C[C@@H]3CCCN32)cc1C 963096261 MVNDZIZETQKVMC-RPLLCQBOSA-N 401.525 5.764 0 1 HKAF COc1ccc([C@]2(CCCCCC(=O)O)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963100628 BXMALHHMULQWOF-NBGIEHNGSA-N 411.517 5.134 0 1 HKAF CC(C)(C[C@@]1(c2ccc(Cl)cc2)c2ccc(F)cc2C[C@H]2CCCN21)C(=O)O 963106690 KDTUNRBQCVLFMR-AUSIDOKSSA-N 401.909 5.244 0 1 HKAF C[C@H](c1ccccc1)n1c([C@H]2c3c(F)cccc3C[C@H]3CCCN32)nc2ccccc21 963112566 PYHDAKSLNFOOLP-KAWPREARSA-N 411.524 5.895 0 1 HKAF CCc1cccc(Nc2ncnc3ccc(NC(=S)NCc4ccccc4)cc23)c1 1772651116 TTWDANGGQIAUPI-UHFFFAOYSA-N 413.550 5.422 0 1 HKAF Cc1sc(-c2ccc(Cl)cc2)nc1OC(=O)N1CCC(N2CCCCC2)CC1 1857650507 WUAWBTURKNWKIH-UHFFFAOYSA-N 419.978 5.221 0 1 HKAF COC(=O)C=Cc1ccc(-c2ccc(O)c(C3C4CC5CC(C4)CC3C5)c2)c(Cl)c1 2356283230 IYEMSFCNKZRLTF-UHFFFAOYSA-N 422.952 6.439 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 2356306863 KOBXOVMRGBLXBG-OFZADOPLSA-N 416.646 5.827 0 1 HKAF COc1cc2c(c(C)c1-c1ccoc1)C[C@H]1[C@]2(C)[C@H](O)C[C@H]2C(C)(C)[C@@H](O)CC[C@]21C 2356429527 YDLXVDBWQZWRFB-PDZMTEBNSA-N 424.581 5.262 0 1 HKAF Cc1cc(N2CCN(C(=O)Oc3ccc(-c4ccccc4)cc3)CC2)c2ccccc2n1 95570169 VJMDOENKGACNEX-UHFFFAOYSA-N 423.516 5.531 0 3 HKAF CCCC(=O)c1cnc2c(NCCc3c[nH]cn3)cccc2c1Nc1ccccc1C 13742240 SQLXBWSWIQZYDO-UHFFFAOYSA-N 413.525 5.647 0 1 HKAF O=c1c2cc(F)c(-c3cccc4cccnc34)cc2n(C2CC2)c2snc(O)c12 28571946 HPOCJZFBUYZHBB-UHFFFAOYSA-N 403.438 5.006 0 1 HKAF CCCOc1ccc(Oc2ccc(-c3ccc([C@H](C)NC(=O)[C@H](C)O)cc3)cc2)cc1 45245487 LONHCXUKBQXAMV-OALUTQOASA-N 419.521 5.493 0 1 HKAF Cc1cc(C)c2c(c1C)O[C@@](C)(COc1ccc(/C=C3\SC(=O)NC3=O)cc1)CC2 73295829 YHODIAGMTPQGOS-WCNLKWBDSA-N 423.534 5.098 0 1 HKAF COc1cccc(COc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1 82158391 XYFGHOWVIROTAV-UHFFFAOYSA-N 418.449 5.027 0 1 HKAF Cc1ccncc1CN1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)C2=O 96286150 VROSYVFLYRHCSS-UHFFFAOYSA-N 411.549 5.076 0 1 HKAF COc1cc(OC)c2c(c1)O[C@@H](c1ccc(OC(=O)Nc3ccccc3)cc1)CC2=O 98085465 BOFVWCQVLDFIAQ-HXUWFJFHSA-N 419.433 5.021 0 1 HKAF CC[C@H](C)Sc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(N(C)C)cc1 100703648 GWBSOVYGQUSTAW-SCLBCKFNSA-N 424.570 5.353 0 1 HKAF OC1=C2C(=Nc3c(-c4ccco4)cnn3[C@H]2c2ccc(Cl)c(Cl)c2)CCC1 100914107 YQRHHZCRTGKHKJ-IBGZPJMESA-N 400.265 6.121 0 1 HKAF Cn1cc(-c2cc3c(cn2)[nH]c2ncc(-c4ccc(CN5CCCCC5)cc4)cc23)cn1 117450816 PAGGEPNXUBSPSP-UHFFFAOYSA-N 422.536 5.165 0 1 HKAF COc1ccc([C@@H]2CC(=O)[C@H](c3ccccc3)[C@@H](c3ccc(OC)cc3)N2C#N)cc1 169290540 NIWJUDBSUARHMP-AYRHNUGRSA-N 412.489 5.026 0 1 HKAF CC(=O)N1c2ccc(-c3ccc(C(F)(F)F)cc3)cc2[C@H](Nc2ccccc2)C[C@@H]1C 208301002 RGUSHRDWYLELRG-QMHKHESXSA-N 424.466 6.671 0 1 HKAF C/C=C(/C)C(=O)O[C@@H]1C[C@@H](C)[C@](C)(CC/C(C)=C/C(=O)O)[C@H]2CCC=C(C)[C@]12C 238739022 XEAOZVIWAIPENF-IWDQAQRPSA-N 402.575 6.084 0 1 HKAF CCOc1ccccc1OCCN1CC[C@@]2(CC)c3cccc(O)c3C[C@H]1C2(C)C 253701748 YLRLXTQWRVRUKP-AHWVRZQESA-N 409.570 5.174 0 1 HKAF c1ccc(CN2[C@H]3CCCC[C@H]3C3=C([C@@H](c4ccco4)ON3)[C@H]2c2ccccc2)cc1 299814001 DGPSOURKQBTBED-JRAXSAEOSA-N 412.533 5.926 0 1 HKAF NCCCNCCCN[C@H](CCC[C@@H]1C[C@H]2CC[C@H]1C2)CC[C@H]1C[C@H]2CC[C@H]1C2 299846992 OZUNTJMPRIGUIC-JALIEGIWSA-N 403.699 5.096 0 1 HKAF Brc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)o1 587006909 DJAXZMJKFLPYKT-UHFFFAOYSA-N 420.886 5.110 0 1 HKAF Brc1cnc2c(-c3nc4cc(Oc5ccccc5)ccc4[nH]3)cccn12 587007295 GMHCRCDUNUNLOL-UHFFFAOYSA-N 405.255 5.432 0 1 HKAF Nc1c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)sc2cc(Br)ccc12 587032593 UWOWEYUQNFTCGL-UHFFFAOYSA-N 414.115 5.491 0 1 HKAF CCCCCOc1cc2nc(Cc3csc4nccn34)[nH]c2cc1Br 587039227 BKGPQTBWTULPJW-UHFFFAOYSA-N 419.348 5.194 0 1 HKAF COc1cccc(-c2ccc(-c3nc4cc(Br)ncc4[nH]3)c(Cl)c2)c1 587051611 FFOMFKNFBOHJAF-UHFFFAOYSA-N 414.690 5.716 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(F)c(F)c2[nH]1)c1cccc(Cl)c1 587069512 CBUAJHORQHTSDG-OAHLLOKOSA-N 407.848 5.303 0 1 HKAF Cc1cnc(Cl)c2[nH]c(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)nc12 587069579 DHDRDTBYGMTYBT-AWEZNQCLSA-N 421.328 5.382 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](c1ccc(Cl)cc1)CCCC3 587103737 KQARZKMENBLNKC-SFHVURJKSA-N 409.916 6.958 0 1 HKAF CN(C)/C=C(/c1ccc(Cl)cc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104865 XYLOOZOMVJKCBW-JCMHNJIXSA-N 410.904 6.050 0 1 HKAF FC(F)(F)c1cc(-c2cccc(-c3nc4cccnc4[nH]3)c2)cc(C(F)(F)F)c1 587112252 RMYDKJBGHMNAAJ-UHFFFAOYSA-N 407.317 6.330 0 1 HKAF Fc1cc(Br)c(Cl)cc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587138166 YMYIWJRXERFRIN-UHFFFAOYSA-N 417.665 6.577 0 1 HKAF O=C(O)c1ccc(-c2cc(-c3nc4cnc5ccccc5c4[nH]3)ccc2F)cc1F 587138596 NVYLHLBLDSUBIW-UHFFFAOYSA-N 401.372 5.422 0 1 HKAF Cc1c(Br)ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc12 587243902 JXGMWXRATVFPDO-UHFFFAOYSA-N 406.283 5.553 0 1 HKAF CC(C)[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328918 KTALBJGEQHCURB-UPVQGACJSA-N 410.872 6.095 0 1 HKAF Nc1ccccc1[C@@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335474 LUCDQRXUGZWFAR-AOYPEHQESA-N 417.480 5.558 0 1 HKAF Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1C(C)(C)C 587336565 ACVYPYYZFRNNNR-QPPBQGQZSA-N 408.473 5.066 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351017 FWHFIZQCIFPCON-SHQBLQIYSA-N 422.540 6.812 0 1 HKAF C[C@@]1(c2ccc(-c3ccccc3)o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352029 JUSLNZCCVWTQAC-RSXGOPAZSA-N 414.432 6.066 0 1 HKAF COc1cccc(-c2c(CCO)c(-c3ccc(F)cc3)nc3c2oc2ccccc23)c1 587361333 XONIJFAJZAMXNQ-UHFFFAOYSA-N 413.448 5.998 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc4c5c(c1)C(C)(C)CCN5CCC4(C)C)[C@@H](C2)C3=O 587439527 WFLMJJXSFZVLJV-AVRWGWEMSA-N 417.549 5.353 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OCc4ccccc4C)cc1)[C@@H](C2)C3=O 587440669 AIOHTNURIIRTGU-BKMJKUGQSA-N 400.474 5.245 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1cc4c(cc1C)C(C)(C)[C@@H](C)C4(C)C)[C@@H](C2)C3=O 587443454 AFMRCXDPXWXMSL-FWYXIZJBSA-N 404.550 5.871 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)cnc1Cl)CC2=O 587459940 QYKFRHSGPWIOGO-SFHVURJKSA-N 410.695 5.036 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cccc(Cl)c3nc1Cl)CC2=O 587460860 KPGQXZCJOSCJQA-GOSISDBHSA-N 402.277 5.906 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cccc3cc(O)[nH]c13)CC2=O 587487117 UPWLPBMEIOXPFF-SANMLTNESA-N 413.473 5.441 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Sc3ccccc3Cl)cc1)CC2=O 587491568 LIKRFLCBVPLNII-QFIPXVFZSA-N 424.949 6.856 0 1 HKAF CC(C)c1ccc(C[C@H](C)[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601433 FYCKOTBHZBOLAW-YSBYIQCSSA-N 402.490 5.725 0 1 HKAF Cc1cc(C)c(-n2cccn2)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587757668 HHYMSVVXTVBMPN-VLIAUNLRSA-N 414.322 5.014 0 1 HKAF FC(F)(F)Oc1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587784312 PTDGJXZSNWBKHW-MDWZMJQESA-N 410.395 6.211 0 1 HKAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)(C)C 587807850 OBRSFOIWRTVYIM-ODXCJYRJSA-N 406.339 5.518 0 1 HKAF CCc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 587825513 AGSZODWBDHLWFU-MCMMXHMISA-N 414.318 6.034 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2c(OC)cccc2s1 587867040 QMKAEPQKEIMKMP-UHFFFAOYSA-N 419.428 5.575 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1cc(C)ccc1Cl 587869904 UBGMANBSWAEARZ-CQSZACIVSA-N 402.853 5.157 0 1 HKAF Cc1cc2c(cc1F)[C@](c1ccc(Cl)cc1)(c1ccc(C(C)(C)C)cc1)NCC2 962298585 NDGRVTRYWWBHEL-AREMUKBSSA-N 407.960 6.523 0 1 HKAF CCOC(=O)[C@@]1(c2ccc3ccccc3c2)NCCc2cc(-c3ccccc3)ccc21 962662800 CQIOKWIAIJFONQ-NDEPHWFRSA-N 407.513 5.459 0 1 HKAF COc1ccc2c(OC)ccc([C@H]3c4cccc(F)c4CCN3[C@H]3CCSC3)c2c1 962697797 GQJXBFIXCQZSAR-IVCQMTBJSA-N 423.553 5.449 0 1 HKAF Cc1ccc([C@@]2(C)c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)c(C)c1 963862491 ABWISKVOOCYKRX-IBVKSMDESA-N 423.553 5.512 0 1 HKAF CCc1c(C(=O)Nc2ccc3ccccc3n2)sc2c(-c3ccncc3)cccc12 1857541766 KCIGPPBFZFFUJR-UHFFFAOYSA-N 409.514 6.326 0 1 HKAF COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2SC3)cc(OC)c1OC 1857652027 HRHJOSIEPOXSQD-UHFFFAOYSA-N 415.902 5.172 0 1 HKAF C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 2356565451 CIBAPVLFORANSS-QCYMNHMOSA-N 414.630 6.002 0 1 HKAF COc1cc(OC)c2c(c1-c1ccc(OC)c3c(OC)cccc13)C[C@@H](C)N(C)[C@@H]2C 2356708290 JTWIKSOWCMKKAL-HZPDHXFCSA-N 421.537 5.479 0 1 HKAF CCOc1ccc(N/C(C)=C/c2scc(-c3ccccc3)[n+]2-c2ccccc2)cc1 5060759 OGZFRXYAPBVMRJ-UHFFFAOYSA-O 413.566 6.563 0 3 HKAF CCc1ccc(Nc2n[n+](-c3ccccc3)c(-c3ccc(SC)cc3)s2)cc1 15936916 YVWAVVAZIOARAF-UHFFFAOYSA-N 404.584 6.115 0 3 HKAF Fc1ccc(CN2CCC(CNCC(c3ccccc3)c3ccccc3)CC2)cc1 13489685 YKONJESBVFRUPH-UHFFFAOYSA-N 402.557 5.459 0 1 HKAF CCC[C@H]1Cn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc(c32)N1CC1CC1 13672694 YCEGYQSVEUSFMB-INIZCTEOSA-N 415.368 6.112 0 1 HKAF C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4ccc(F)cc4)cn3)[C@H]12 13673156 BIMJRYUDZHNDRO-NWLSSWCYSA-N 405.513 5.905 0 1 HKAF Cc1ccc(C2=CCC(C)(C)c3cc4ccc(-c5ccc(C(=O)O)cc5)cc4cc32)cc1 27858089 IELZYFLWRMEIIC-UHFFFAOYSA-N 418.536 7.626 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H]1C(=O)CCC[C@@H]1O 28952480 PUKOUYGWBQZNRB-RMEMQNEVSA-N 416.602 6.158 0 1 HKAF CCCCN(Cc1ccncc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 34946698 OHMHEOQEFHVRNC-UHFFFAOYSA-N 406.370 5.201 0 1 HKAF O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H](c1ccccc1)c1ccc(O)cc1 40918102 PUNUOYSYEBMZFP-NDEPHWFRSA-N 421.540 5.863 0 1 HKAF CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(CC)ccc21 58574941 GGQDDJOKTVQNBO-UHFFFAOYSA-N 420.597 5.453 0 1 HKAF COCCC[C@@H](c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCC[C@@H]1C 73220110 KBAMVQCVXIVXJD-FIPFOOKPSA-N 420.641 6.292 0 1 HKAF CC[C@@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCc3ccccc3C)ncnc21 82180148 WVHSDXRVNWCJGH-MRXNPFEDSA-N 401.514 5.166 0 1 HKAF CCCCCn1c(C2CCCCC2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181251 DYROFJBDVDVIII-UHFFFAOYSA-N 411.981 6.330 0 1 HKAF O=C(Nc1ccc2cc(CN3CCCC3)cnc2c1)c1ccc(-c2ccccc2)cc1 84670701 CMNAXSCFAFPUGW-UHFFFAOYSA-N 407.517 5.750 0 1 HKAF FC(F)(F)c1ccc(Sc2nc(C(Cl)(Cl)Cl)nc3ccccc23)cc1 84727917 XTPRZGOOVCAQJH-UHFFFAOYSA-N 423.674 6.627 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@@H](CCCC4(C)C)[C@]3(C)CC[C@]12C 96094989 ZYZJWAJOTPNVPI-AUAIAXQGSA-N 414.762 9.524 0 1 HKAF in-vitro Cc1cc(N2CC[C@@H](CN3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccc2[nH]ccc2c1 96922471 XABYXUIYVFWUMX-PMACEKPBSA-N 416.569 5.039 0 1 HKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(OCc2ccc(Cl)cc2Cl)nn1 103167796 DYXMAZXTLLIHSB-UHFFFAOYSA-N 413.226 6.357 0 1 HKAF COc1ccnc(Nc2ccc(Cl)c(OCc3ccc(Br)cc3)c2)n1 103248620 ANGPPAZNWRPSQH-UHFFFAOYSA-N 420.694 5.224 0 1 HKAF COc1ccc(-c2c(Cc3ccccc3)nn3c(O)cc(-c4ccccc4)nc23)cc1 103520660 YWXJTPSPLGTJEC-UHFFFAOYSA-N 407.473 5.368 0 1 HKAF CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(F)c2)C2=C(O)CC(C)(C)CC2=N1 103521163 UEMLHWKUCZHOTI-QFIPXVFZSA-N 411.517 6.146 0 1 HKAF COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2c[nH]c3ccccc23)C[C@H]1C 104098577 JOYFTIBCCGDFHM-YIKPVDIZSA-N 401.466 5.048 0 1 HKAF COc1cccc(-c2c(S(=O)(=O)c3ccc(F)cc3)cnc3c(F)cccc23)c1 115925635 IKAVQFATVAWHLI-UHFFFAOYSA-N 411.429 5.021 0 1 HKAF COc1ccnc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1ccc2oc3ccccc3c2c1 139843465 KZHOUIVIZGUISG-DNVCBOLYSA-N 416.477 5.108 0 1 HKAF c1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2CCCN2Cc3ccccc3C2)cc1 299821442 KIEBMLKNWHLABS-MUUNZHRXSA-N 407.561 5.521 0 1 HKAF Cc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1NC(=O)c1cnoc1C 473248392 NOENRZWLSBYJLI-UHFFFAOYSA-N 419.268 5.495 0 1 HKAF O=C(O)c1ccccc1/C=C\c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586879183 JIKOCRXBPPKJOW-WAYWQWQTSA-N 400.278 5.469 0 1 HKAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1 587040064 ZDZOBTCFVRUSCP-UHFFFAOYSA-N 419.816 5.101 0 1 HKAF Cc1cc(C)c2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2c1 587064043 KHPXWEGALYLPCE-UHFFFAOYSA-N 415.924 6.534 0 1 HKAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587111457 DGMWLBKPVRQFPQ-KRWDZBQOSA-N 415.337 5.000 0 1 HKAF CC(C)[C@]1(CSc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587369966 SFNCDFXQGCQWHS-NOZRDPDXSA-N 422.521 6.077 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc(OCc4ccccc4)c1)[C@@H](C2)C3=O 587419797 LTMLSFKKVXZTIL-RDPSFJRHSA-N 406.865 5.416 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1c(F)cccc1O[C@H](C)c1ccccc1)[C@@H](C2)C3=O 587421770 ANYZFVJARYWCSV-HFLCYVIKSA-N 418.464 5.637 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)c3ccccc3)c1)CC2=O 587469654 JKZINNVAXFAQNN-AREMUKBSSA-N 415.489 5.478 0 1 HKAF O=C1C[C@@](CCc2ccccc2Cl)(c2ccccc2)Oc2c1ccc1c2CCCC1 587502748 DVYDLPWHZLDUAM-MHZLTWQESA-N 416.948 6.712 0 1 HKAF O=C1C[C@@]2(CCC[C@H]2c2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587508256 OJCSCQLQPMEBJL-NZQKXSOJSA-N 400.440 6.256 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H]2c1ccc(Cl)cc1 587551821 KHMRHSPRKVQACM-NSXLHWASSA-N 406.865 5.714 0 1 HKAF C[C@]1(c2cccc(CCCCF)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555405 KVSDRNPUDQDYGZ-SQJMNOBHSA-N 424.443 5.701 0 1 HKAF CC[C@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557747 SRKFVFRBPKMNIW-WMZHIEFXSA-N 412.388 5.261 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2cccc(O)c2)c1 587610113 PSUQQXSOIWVLFK-OZXSUGGESA-N 410.425 5.468 0 1 HKAF CC(C)(C)c1cc(N)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587615168 WSUBETSZAFVXDA-MBSDFSHPSA-N 409.507 5.210 0 1 HKAF Fc1ccc(-c2c(-c3ccccc3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 587623068 YAQPMAXLVHVAKJ-UHFFFAOYSA-N 406.258 6.280 0 1 HKAF CCOC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccccc1Br 587628314 SNOLTBJTBBBEPK-UHFFFAOYSA-N 424.653 5.131 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(C(F)(F)F)cccc32)N1 587711628 IBUOJZVVUIHPPZ-XTZNXHDOSA-N 414.240 5.331 0 1 HKAF CC[C@]1(c2cc(F)c(OC)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587719059 KDQVYTVOKNUURA-GIGQVBGESA-N 414.265 5.063 0 1 HKAF CCC[C@@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 587807427 XBOXOSNZGSHVGS-LRTDBIEQSA-N 401.323 5.647 0 1 HKAF Cc1ccc(C)c([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587816031 SNCFVGFEUDYFIF-BXKMTCNYSA-N 424.357 6.031 0 1 HKAF Cc1ccc2c(c1C)OCCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587832269 BEUHPSAKXJAXCL-ZSEKCTLFSA-N 404.323 5.155 0 1 HKAF Cc1ccc(-c2csc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2)cc1 587851167 BELANEIIMYPHQC-BLVKFPJESA-N 417.347 5.644 0 1 HKAF CCc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 587862415 NFDXFJWKPMNWNI-AWEZNQCLSA-N 418.415 5.248 0 1 HKAF Fc1ccc2c(c1)-c1cc(n(-c3nccc(-c4ccc(Br)cc4)n3)n1)O2 587871710 AHSHYYDNXZXQRS-UHFFFAOYSA-N 409.218 5.004 0 1 HKAF CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(C)cc3c2CC(C)(C)CC3=O)n1 587945627 OSGSFMITVNYALT-UHFFFAOYSA-N 411.502 5.162 0 1 HKAF COc1cc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2cn1 587949069 NKVIUCYYHPMOSC-VWKPWSFCSA-N 407.514 5.251 0 1 HKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587952346 PGYBKXXLYYQXMP-HCKVZZMMSA-N 419.285 6.391 0 1 HKAF CO[C@@H](C)COC1CCC(c2nc3cc(Cl)cc(Br)c3[nH]2)CC1 587952496 SAWLSTGLBOTCQK-ZBOXLXRLSA-N 401.732 5.057 0 1 HKAF CCOC(=O)c1ccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2c1 587956814 BKDFTZMTUVCQAQ-UHFFFAOYSA-N 402.535 5.658 0 1 HKAF O=C1CCC(c2ccccc2)(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CC1 587971044 RKHIOJLYIQLWCR-UHFFFAOYSA-N 409.358 5.041 0 1 HKAF CC(=O)N(c1nc([C@H]2NCCc3ccc(F)c(C)c32)cs1)c1cccc(C)c1C 962095114 VJTXRHSMMIHXHY-JOCHJYFZSA-N 409.530 5.127 0 1 HKAF Cc1cc(C)cc(Oc2ccccc2[C@@H]2NCCc3cc(-c4ccccc4)ccc32)c1 962663892 HDLSNGFXIGXXJY-GDLZYMKVSA-N 405.541 6.998 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CCc2ccccc2)(c2ccccc2Cl)N1 962941810 FDBXDOJCUNWYKO-DCFHFQCYSA-N 414.980 6.622 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cc(F)ccc1Oc1ccccc1 963053213 GXZLTKAGAVEGAD-RUZDIDTESA-N 400.453 5.410 0 1 HKAF Cc1ccc(C)c(CC[C@]2(c3cccc(F)c3)c3ccc(F)cc3C[C@H]3CCCN32)c1 963096295 MYAFMLUGAKXZEL-IAPPQJPRSA-N 417.543 6.479 0 1 HKAF O=C(O)c1ccc(C[C@@]2(c3ccccc3)NCCc3c(Cl)cc(Cl)cc32)cc1 963121555 NKAKZSOKHLAWIV-QHCPKHFHSA-N 412.316 5.324 0 1 HKAF Cc1ccccc1[C@]1([C@@H]2CCC[C@@H](C)C2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963229733 PXTXHPJYHDIUCS-BEMSNOFDSA-N 414.549 5.212 0 1 HKAF Cc1ccnc([C@@]2(c3cccc(C)c3C)c3cccc(Br)c3CCN2C)c1 963279011 DSCUACRADMXBBI-XMMPIXPASA-N 421.382 5.549 0 1 HKAF COc1cc(F)ccc1-c1cc(Cl)cc([C@@H](CC(=O)O)c2ncc(C)s2)c1 1772574392 FQYFCLMUERUPCY-QGZVFWFLSA-N 405.878 5.526 0 1 HKAF Cc1cc(C)cc([C@@H]2CCCN2Cc2ccc(Oc3ccc(C(N)=O)cc3)c(F)c2)c1 1772586336 RJSQEFZXMBCIQM-DEOSSOPVSA-N 418.512 5.671 0 1 HKAF CCOC(=O)/C=C/c1ccc(OCCCCCCCCN(CC)CC)c(OC)c1 1772625357 KUFZKQHKJGVJHQ-BMRADRMJSA-N 405.579 5.333 0 1 HKAF NCC(=O)N1CCC[C@H]1COCCCCCC/C=C/c1ccc(-c2ccccc2)cc1 1857537054 WTAOVORYTFJVPK-KDZJVGDTSA-N 420.597 5.284 0 1 HKAF FC(F)(F)c1ccc(CSc2nc3ccccc3c(=Nc3ccccc3)[nH]2)cc1 1857561157 QGAYNDLNBONFLH-UHFFFAOYSA-N 411.452 6.106 0 1 HKAF C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC=C5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 2356358423 ZQHLKKFDMULTFL-CTKAKYENSA-N 412.614 5.922 0 1 HKAF CC[C@H](C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356732218 GYDIPQRLDOTECG-FIDXZMPXSA-N 410.730 9.076 0 1 HKAF COc1cc(C)c(O)c(C[C@H]2[C@@H]3CCC(=C(C)C)[C@H](CCC(=O)O)[C@H]3CC[C@H]2C)c1 2356802249 SAEUKSAQLUZKAT-CXLXCHCKSA-N 414.586 6.141 0 1 HKAF CCCN(c1nccc(-c2c(Cl)cc(OC)cc2OC)n1)C(C1CC1)C1CC1 840102 SPFHQARDCUZUIU-UHFFFAOYSA-N 401.938 5.219 0 1 HKAF CS(=O)(=O)c1ccc(-c2csc(Br)c2-c2ccc(F)cc2)cc1 1539341 FJVLFULBBXMDBS-UHFFFAOYSA-N 411.317 5.387 0 1 HKAF CCN(CCOC)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C 13587332 LBQJZKOTFALXSB-UHFFFAOYSA-N 422.765 5.264 0 1 HKAF CCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CO)CO 13679537 KLWBHADJSFOWAR-FARPMTRTSA-N 420.678 6.918 0 1 HKAF CCCCCC[C@H](C)/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](C)C(=O)NCCF 13766094 RAMPXDRFGKYVNF-JSQHIDSZSA-N 405.642 7.490 0 1 HKAF CC[C@H]1C[C@H]2NC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@@H]3[C@H]12 27302338 MASOXJRADXYGSF-WIGCRIHZSA-N 415.706 7.222 0 1 HKAF C[C@](CO)(CCCCC(=O)CCCC[C@](C)(CO)c1ccccc1)c1ccccc1 28396286 OCDKZSIVJWVBQD-KAYWLYCHSA-N 410.598 5.577 0 1 HKAF COc1cc(CN(C2CCCC2)[C@H]2CCC(=O)c3ccccc32)cc(OC)c1OC 40395454 QXVHPVTWFCVLLV-NRFANRHFSA-N 409.526 5.175 0 1 HKAF Cc1nc(-c2ccc(F)cc2)ccc1C(=O)Nc1ccc2sc(CN(C)C)nc2c1 40916692 PFLDLYJDEAJBMJ-UHFFFAOYSA-N 420.513 5.120 0 1 HKAF Fc1ccc(-c2noc(CCCNc3cnc4ccc(Cl)cc4c3)n2)c(Cl)c1 40972907 QIYABHDIJFHOEJ-UHFFFAOYSA-N 417.271 5.775 0 1 HKAF CCCN(CCC)c1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C 45366289 AFBLVZYFLXGQGO-UHFFFAOYSA-N 405.586 6.394 0 1 HKAF CC(C)=CC[C@H]1C(=O)[C@@H](C(=O)CC(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O 53174597 OLHLJBVALXTBSQ-RBBKRZOGSA-N 414.586 5.610 0 1 HKAF biogenic CN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(C(F)(F)F)cc32)CC1(C)C 58627755 FOLDFBZXQLCLJB-CTNGQTDRSA-N 406.467 5.447 0 1 HKAF COc1ccc(-c2cc3cc([C@@H]4CC(=O)c5ccc(OC)cc5O4)ccc3o2)cc1 59775512 GIIGHMRSPFEORX-DEOSSOPVSA-N 400.430 5.824 0 1 HKAF biogenic COc1cccc(-c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)c2ccc(Cl)cc2)c1 61942486 VROXAYUEZGYDBZ-DVECYGJZSA-N 403.909 6.090 0 1 HKAF CC(C)Cc1ccc(-c2cc(Cl)cc3c2O[C@H](C(F)(F)F)C(C(=O)O)=C3)cc1 66104334 JNEDVCOEBJNUCM-IBGZPJMESA-N 410.819 5.997 0 1 HKAF CC(C)c1c(COc2cccc(OCC3CCOCC3)c2)[nH]c2ccccc2c1=O 73169484 WFVDJYFAPWNVFQ-UHFFFAOYSA-N 407.510 5.036 0 1 HKAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NC3CCCC3)nc2-c2ccccc2F)C1 82151400 XXIISDSEGFZKSR-DLBZAZTESA-N 410.537 5.288 0 1 HKAF CCc1cnc(-c2cnc(N[C@@H](C)CC)nc2-c2ccc(-c3ccccc3)cc2)s1 82176830 NKGQPNHQKSXECP-KRWDZBQOSA-N 414.578 6.707 0 1 HKAF COc1cc(Cn2c(-c3c(F)cccc3F)nc3cc(C)ccc32)cc(OC)c1OC 95556426 LUDIEESNHSPSDG-UHFFFAOYSA-N 424.447 5.364 0 1 HKAF COc1ccc(Oc2c(Cl)cnn(CCc3cccc4ccccc34)c2=O)cc1 95597435 OPGFTCQZDZVEPF-UHFFFAOYSA-N 406.869 5.094 0 1 HKAF Cc1ccc2cccc(OCc3ccccc3COc3cccc4ccc(C)nc34)c2n1 103190471 CVFVLYTWFSCPGV-UHFFFAOYSA-N 420.512 6.558 0 1 HKAF CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2cccc(Cl)c2)C2=C(O)CCCC2=N1 104689875 MMDFWKHAKUMJQO-OAQYLSRUSA-N 407.901 5.490 0 1 HKAF O=C(c1ccc(C(F)(F)F)cc1)c1c(-c2ccc(F)cc2)sc2cc(O)ccc12 142966953 ZJCWMNAKHBTFFX-UHFFFAOYSA-N 416.395 6.663 0 1 HKAF O=C(Oc1ccccc1)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 169314048 BTRDJLBCRUKQNT-QBDJDQKFSA-N 414.332 5.465 0 1 HKAF COc1ccc2ccc(COc3ccc(-c4c(-c5ccncc5)cnn4C)cc3)nc2c1 169324886 SADJLTRVTAMOGE-UHFFFAOYSA-N 422.488 5.285 0 1 HKAF O=C1/C(=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)N=C2SCCCN12 169329798 OFXGLLJUEZXTBC-WQRHYEAKSA-N 419.333 5.248 0 1 HKAF COc1ccc(CNc2nc(-c3ccc(OC)cc3)c(Cc3ccccc3)s2)cc1 210749892 KFZWXVMXJALBTJ-UHFFFAOYSA-N 416.546 6.030 0 1 HKAF CC[C@H](C)CCCCCCCCCCCCCCCCCCCCCCCCCO 222885816 DWEMLGYUYBDVCM-LJAQVGFWSA-N 424.798 10.387 0 1 HKAF in-vitro Oc1cc(N[C@H]2CC[C@H](NCc3ccc(Cl)c(Cl)c3)CC2)nc2ccccc12 253636475 QTTUVMMVQNZBRE-WKILWMFISA-N 416.352 5.760 0 1 HKAF CC(C)[C@@H]1CC[C@H]2[C@H]1CC[C@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C 255262719 RNHGVUKUAAZWMB-JIZGTPIUSA-N 412.702 7.635 0 1 HKAF Cc1cc(NCc2c(Cl)ccc(Cl)c2Cl)c2cc(F)cc(C(N)=O)c2n1 263620307 CFRVEJULVHOSOC-UHFFFAOYSA-N 412.679 5.354 0 1 HKAF in-vitro O=C(Nc1ccccc1)c1ccccc1OC(=O)N(c1ccccc1)c1ccccc1 299839450 RURIAOIFIPSLFU-UHFFFAOYSA-N 408.457 6.276 0 1 HKAF Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-n1cc(-c2cccnc2)cn1 473247800 IHYVCWMRZWUYDY-UHFFFAOYSA-N 422.410 5.514 0 1 HKAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(Br)c(Br)cc3[nH]2)cc1 586892250 WEFBHVNPZBADGN-MGPLVRAMSA-N 424.136 5.233 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2cc(C)cc(C)c2[nH]1 586981223 FRTLWOIHLHGCIR-UHFFFAOYSA-N 401.348 6.568 0 1 HKAF Cc1c(-c2cccc(C(F)(F)F)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586986849 PKVCQRVRYNZVPF-UHFFFAOYSA-N 405.375 6.146 0 1 HKAF FC(F)(F)c1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1Cl 587006973 TVBUZZYGVRWEJC-UHFFFAOYSA-N 415.600 5.312 0 1 HKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 587062894 XWFYKQYOUGJKAY-AWEZNQCLSA-N 423.694 5.296 0 1 HKAF COc1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2cc1OC 587068707 XMJOHJBSLSUIIL-UHFFFAOYSA-N 420.856 5.346 0 1 HKAF COC(=O)c1cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cn1 587072191 XJQQSOVUIKFJDG-YFHOEESVSA-N 419.868 5.147 0 1 HKAF COc1cc2nc(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)[nH]c2cc1F 587083204 JQFYAQUAQCGAPT-UHFFFAOYSA-N 407.832 6.148 0 1 HKAF CC(=O)c1ccc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c2c1 587121599 GNWMYECUQLYYDL-UHFFFAOYSA-N 417.412 5.763 0 1 HKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1F 587150406 DFIYBWOPBNERRC-UWVGGRQHSA-N 417.175 5.894 0 1 HKAF Fc1ccc2[nH]c(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c(Cl)c2c1 587175444 UHYMXNVEVPIAER-UHFFFAOYSA-N 404.150 6.056 0 1 HKAF COc1cc(C)c(N)c(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1 587250720 QMMWTHDFIPIPMX-UHFFFAOYSA-N 418.335 5.317 0 1 HKAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587259073 WOPWNUZXZRTTPN-KRWDZBQOSA-N 413.308 5.442 0 1 HKAF CC1(C)CCc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587352375 IXYWQBSJZVNBLG-OZXSUGGESA-N 402.465 5.758 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-c3ccc(C(F)(F)F)cc3)s1)O2 587383731 VJXMWGOHSYAUCP-NRFANRHFSA-N 417.452 6.205 0 1 HKAF CCOc1ccc(-c2[nH]c3ccccc3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587397087 RUTALYKMIOGDFS-HSZRJFAPSA-N 412.489 5.831 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccnc1Sc1ccccc1Cl)[C@@H](C2)C3=O 587452763 PEWLIVBZGXNWAD-BTYIYWSLSA-N 409.894 5.384 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)N(CC)CC)cc1)CC2=O 587467105 CGXWYUBJRIYEDV-XMMPIXPASA-N 410.514 5.099 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(CC(=O)O)cc3)cc1)CC2=O 587479833 CRMPIDCHHOIAQP-XMMPIXPASA-N 416.473 5.345 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ncc(-c3ccc(C(C)(C)C)cc3)o1)CC2=O 587491073 RNNRHKHAKFWLBZ-OAQYLSRUSA-N 405.494 6.004 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC3=NC[C@@H](CC)S3)cc1)CC2=O 587498225 ZLQSPKCMNKVKIX-MZNJEOGPSA-N 424.566 5.519 0 1 HKAF C[C@]1(c2cc(Cl)c(N)c(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587510730 XQFPUENZWHHEDD-HXUWFJFHSA-N 409.835 5.700 0 1 HKAF O=C1C[C@@]2(CC[C@@H]2c2ccccc2OCc2ccccc2)Oc2c1ccc1c2CCCC1 587523664 LWNRKMQSXNKWHG-VAVYLYDRSA-N 424.540 6.426 0 1 HKAF CCOc1ccc(OCc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587534699 XLUHGNDODCRSPE-RUZDIDTESA-N 418.489 5.843 0 1 HKAF O=C1C[C@]2(CCCc3sc(Br)cc32)Oc2c1ccc1c2CCCC1 587536706 ZMZURNMMAREXLM-FQEVSTJZSA-N 403.341 5.586 0 1 HKAF Cc1cc(C)cc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587580460 XZDZCTAUQXXUAR-BVAGGSTKSA-N 411.457 5.503 0 1 HKAF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C(F)(F)F)c1 587711800 MISZMXJKZWKOLM-XLFHBGCDSA-N 418.228 5.239 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)ccc(Cl)c2F)N1 587715572 IFBNYJVCEIACIE-QPFGOUBPSA-N 404.657 5.318 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2cn(C)c3ccccc23)N1 587753343 AWWGTXIJUNUFEA-UMLCXOSOSA-N 413.334 5.543 0 1 HKAF Cc1noc(-c2ccccc2)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587790415 BZZMGRZXZXLRSP-JEOXALJRSA-N 401.279 5.175 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC23CC4CC(CC(C4)C2)C3)N1 587811440 FZMYUCIAXBMZKI-MQFHNONPSA-N 406.383 5.944 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587816531 ZFILTOJJRYNGFK-QMHKHESXSA-N 410.330 5.723 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccsc3)cc2)N1 587855351 VBTSARUFVREHKR-FKIZINRSSA-N 402.332 5.940 0 1 HKAF COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccccc4[nH]3)CCCC(C)(C)[C@@H]1CC2 587933164 UTCGHNNGFNZEOY-KDYSTLNUSA-N 418.581 6.459 0 1 HKAF Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccc4ccccc4c3)s2)n1 653706751 SCGVCPDSOKXNGR-UHFFFAOYSA-N 420.563 5.025 0 1 HKAF Cc1ccccc1[C@]1(c2cccs2)c2ccsc2CCN1Cc1cccnc1 963017284 WGTXWTIKMMQTTE-XMMPIXPASA-N 402.588 5.863 0 1 HKAF O=C(/C=C/c1ccccc1)Nc1cccc(CNC(=O)c2cccc3ccccc23)c1 1772592545 LDFDHHSJHNGSKV-WUKNDPDISA-N 406.485 5.422 0 1 HKAF CC1(C)CC[C@H]2C(=O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 1772598736 ZBJWFSYTDQWNEO-VAZUSAAFSA-N 424.669 7.166 0 1 HKAF CC1(C)CCC(C)(C)c2cc(-c3cc(-c4ccc(C(=O)O)cc4)ccc3CO)ccc21 1857755571 DWYDAJOSTCLMPR-UHFFFAOYSA-N 414.545 6.560 0 1 HKAF CC(=CCCC(C)=CCc1cc(O)cc(C)c1O)CCC=C(C)Cc1cc(C)co1 2356344439 JSWCFSFLFKARNJ-UHFFFAOYSA-N 408.582 7.492 0 1 HKAF C[C@@H](C=C[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C)C(C)(C)O 2356389548 YVCLBHXJAIJFNU-OGDGXKARSA-N 412.658 6.734 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C 2356415433 LKHNRKZLWGLUOW-JAUXWZHPSA-N 424.713 8.543 0 1 HKAF Cc1cnc([C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)c(O)c1 2356456813 RODDEOSIMRCKKR-RRWZFGQFSA-N 409.614 6.139 0 1 HKAF CC[C@H](CC[C@H](C)C1=CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356490173 YZASEYYDJZZZHQ-MOFGZYPMSA-N 412.702 7.945 0 1 HKAF CCCCCC=CCC=CCCCCCCCC(=O)Oc1ccc(C=O)cc1OC 2356527543 ICLSCTGXDNHPKU-UHFFFAOYSA-N 414.586 7.227 0 1 HKAF COC1=CC(c2ccc[nH]2)=NC1=Cc1ccc(CCCCCCCCCC(C)C)[nH]1 2356704355 QWQIDJSUNKLTOG-UHFFFAOYSA-N 407.602 7.036 0 1 HKAF CO[C@]12C[C@](C)(O)[C@@H]3C[C@]4(C)CC[C@H]([C@H](C)C=CC=C(C)C)[C@H]4CC=C(CO1)[C@@H]32 2356725429 FGDVBOIMXKJEPX-WYTMDAAOSA-N 400.603 5.658 0 1 HKAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NCCc2ccccc2F)c1 776220 VRSZPAXERJNKGC-UHFFFAOYSA-N 410.489 5.149 0 1 HKAF CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccccn2)C2=C(O)CC(C)(C)CC2=N1 8382907 TTYBOTGXMZLIQH-JOCHJYFZSA-N 423.463 5.443 0 1 HKAF COc1c2c(c(CC=C(C)C)c3oc(=O)cc(-c4ccccc4)c13)O[C@H](C)[C@H](C)C2=O 13382525 CHVBVEFGTFMKNL-JKSUJKDBSA-N 418.489 5.577 0 1 HKAF biogenic O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCCCCC3)cc12 13454340 YRWAQBPKMXQEMV-UHFFFAOYSA-N 419.565 6.275 0 1 HKAF Cc1ccccc1/C(=C\c1cc(OCc2ccsc2)ccc1Br)CO 13780374 XRVKPFSNTJLQIL-ZDLGFXPLSA-N 415.352 5.931 0 1 HKAF C[C@H]1[C@@H]2Cc3ccc(Nc4ccc(Cl)c(Cl)c4)cc3[C@@]1(C)CCN2CC1CC1 27981696 DQCFFESGZOYPIK-MRDSIPGCSA-N 415.408 6.671 0 1 HKAF COc1cc(/C=C/c2cc(Cl)cc(/C=C/c3ccc(O)c(OC)c3)n2)ccc1O 28949004 ZUTPXHQSOYFPFE-FCXRPNKRSA-N 409.869 5.504 0 1 HKAF CCO[C@H]1Cc2ccccc2[C@@H]1Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC 28956406 ZMRNNGNFCBYSLG-GMAHTHKFSA-N 418.541 5.212 0 1 HKAF COc1cc(/C=C\Cc2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1 38151220 UZOKLIQHROZOQA-JZGDWWSASA-N 400.474 5.628 0 1 HKAF Cc1c(CNC2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1cccnc1 40394706 ZISZDFROUCQXSA-UHFFFAOYSA-N 401.341 5.582 0 1 HKAF Oc1cccc(C2=Nc3ccccc3S[C@H](c3ccc(Br)cc3)C2)c1 40975166 YFJAZXLBKQYPTB-NRFANRHFSA-N 410.336 6.513 0 1 HKAF O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1cccc(C(F)(F)F)c1 45253612 MKPLCANWDSSFRJ-UHFFFAOYSA-N 415.802 6.154 0 1 HKAF O=C1c2ccccc2Oc2ccccc2C12CCN(CCCOc1ccccc1)CC2 60051757 VGEAAEHPGWYMAJ-UHFFFAOYSA-N 413.517 5.478 0 1 HKAF CC(C)c1c(O)nc(SCC(=O)c2ccccc2O)nc1CC1CCCCC1 66105122 TUDGBQFDFQBXEC-UHFFFAOYSA-N 400.544 5.109 0 1 HKAF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccc(F)cc3)n2)C1 82139330 YFRQIYOWFIQVGD-ROUUACIJSA-N 424.564 5.075 0 1 HKAF CCCC[C@H](Nc1nc(-c2cccc(F)c2)cs1)C(=O)NCc1ccc(C)cc1 82195588 VZHBHHPMBAHOGE-FQEVSTJZSA-N 411.546 5.545 0 1 HKAF COc1ccc(-c2nc(-c3ccc(OCCN(C)C)cc3)c(-c3ccccc3)[nH]2)cc1 98082991 SFFRQFYPJAQOLT-UHFFFAOYSA-N 413.521 5.360 0 1 HKAF Fc1ccc2c(c1)[nH]cc2[C@H]1CC[C@H](N2CCN(c3cccc4[nH]ccc34)CC2)CC1 101182320 AAURBPVIEGZGKT-PUZFROQSSA-N 416.544 5.637 0 1 HKAF Fc1ccc(C(F)(F)F)cc1-c1csc(Nc2cc(Cl)cc(Cl)c2)n1 103229199 GEPCFUURCPEOAL-UHFFFAOYSA-N 407.219 7.018 0 1 HKAF CC1(C)O[C@H]2C3=C([C@H]2O1)[C@@H](c1ccccc1)[C@H](CCc1ccccc1)/C=C/C=C3CO 169296004 CFKPGEPVQJMZJF-GHZUWVHGSA-N 414.545 5.338 0 1 HKAF C/C(=C\C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 257399922 CTWRZEHGRSDRPG-DUHHBLADSA-N 412.702 7.801 0 1 HKAF endogenous,in-man CC(C)Oc1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2cc1Br 587017393 WBPAMXYAJRAHIM-CQSZACIVSA-N 408.321 5.088 0 1 HKAF O=C(Nc1sc2c(c1-c1nc3c(O)cccc3[nH]1)CCC2)c1ccccc1Cl 587031198 PJZOBXNUBLHZKU-UHFFFAOYSA-N 409.898 5.391 0 1 HKAF CC(C)(C)c1ccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2c1 587060729 SMNYIOOXJVELDS-UHFFFAOYSA-N 411.936 7.396 0 1 HKAF Fc1cc(Br)cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 587064197 DSACYXDPJJHDPB-UHFFFAOYSA-N 421.653 5.957 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 587070161 GNHVSGSUTSSPAU-HNTXVCKUSA-N 419.283 6.073 0 1 HKAF FC(F)(F)c1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2cn1 587081949 ZNCBBBJQYLJEOB-UHFFFAOYSA-N 414.778 5.007 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(Cl)cnc2[nH]1 587087311 OBRVKFCWJPAGFK-VOTSOKGWSA-N 418.715 5.642 0 1 HKAF FC(F)(F)c1ccc(-c2nc3cc(Br)cnc3[nH]2)c(C(F)(F)F)c1 587095097 PIPMXHQHPWIWDU-UHFFFAOYSA-N 410.115 5.425 0 1 HKAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C3(F)CCCCC3)[nH]c2c1 587132200 MRDLFYCJJZALKQ-UHFFFAOYSA-N 407.898 5.146 0 1 HKAF Fc1cc(C(F)(F)F)c2[nH]c([C@@H](Nc3ccccc3)c3ccccc3F)nc2c1 587150850 TZPYWNWHDGRNEX-SFHVURJKSA-N 403.354 6.061 0 1 HKAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 587158175 GMMZQOGCVQYSOW-UHFFFAOYSA-N 408.339 5.029 0 1 HKAF Fc1ccc(/C=C(/c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c2cccs2)cc1 587164665 UURAWYRYCPITQM-MDWZMJQESA-N 406.379 6.510 0 1 HKAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587168475 XKDNVFSEHVJZHY-OAHLLOKOSA-N 410.346 5.229 0 1 HKAF Cc1cc(Cl)cc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c12 587230274 RBCBENHVPCHQCR-UHFFFAOYSA-N 412.921 5.489 0 1 HKAF CCOC(=O)C[C@]1(CCC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352267 WBRUPASGSDAPSH-VWNXMTODSA-N 414.473 5.018 0 1 HKAF COc1cccc(-c2cc(C3=C(C)N=C4N=NNN4[C@H]3C)nc3c2oc2ccccc23)c1 587361936 AYRBFXILFABIQB-AWEZNQCLSA-N 424.464 5.333 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(C)c(C)c3)nc3sccn13)O2 587415472 SZCGIZMSSTZMKF-IBGZPJMESA-N 403.507 5.277 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc(Br)c2C[C@H]1C 587457921 DKVCGSVVTUXFEY-GTJPDFRWSA-N 401.300 5.160 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3cc4c(cc31)-c1ccccc1CC4)CC2=O 587477444 CFAJCRHUOJILGT-LJAQVGFWSA-N 424.540 6.307 0 1 HKAF CC1(C)Oc2ccc(Br)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587495372 CTOOKVWCHQYTKW-QFIPXVFZSA-N 413.311 5.360 0 1 HKAF O=C1C[C@@H](c2cccn2-c2cc(Cl)ccc2Cl)Oc2c1ccc1c2CCCC1 587506581 NJBPZGRAPGCXDD-QFIPXVFZSA-N 412.316 6.369 0 1 HKAF Cc1[nH]c(-c2ccco2)nc(=S)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587534303 YJHQPZYSOLBJTM-QHCPKHFHSA-N 406.507 5.467 0 1 HKAF Cc1ccc2nc(Cl)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 587551785 JNODMOGKFWSMFN-OFNKIYASSA-N 417.848 5.605 0 1 HKAF CC(C)COc1cccc(OCc2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587565451 ARWQSONYHIYOIW-UHFFFAOYSA-N 402.494 5.756 0 1 HKAF CCCOc1ccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 587587088 FNQSBTSYYZNQQE-RDGATRHJSA-N 415.445 5.365 0 1 HKAF O=C(c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)[nH]c2cc(Cl)c(F)cc12 587628497 MEMNTHCBECAQBO-UHFFFAOYSA-N 418.682 7.165 0 1 HKAF CCOC(=O)c1c([C@H]2CCCN2C(=O)OC(C)(C)C)[nH]c2ccc(F)c(Cl)c12 587631691 IHYYEUFOVWJMIV-CYBMUJFWSA-N 410.873 5.209 0 1 HKAF CCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587691245 ADVFCMMUXCDTOM-JEOXALJRSA-N 412.730 5.654 0 1 HKAF CCCCn1nc(C)c(Cl)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587700101 UOLJAIJFJIYLKX-BTDLBPIBSA-N 414.750 5.170 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(C(F)(F)F)N1 587704749 KAJGWJHVUQIDCF-APPDUMDISA-N 402.229 5.123 0 1 HKAF Cc1nn(-c2ccccc2)c(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587753165 ABPRQQDCAATDPL-XUSGNXJCSA-N 414.322 5.014 0 1 HKAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC(C)C)c1 587792768 MRIUWMCPLWIZFG-MPBGBICISA-N 408.311 5.008 0 1 HKAF Cc1c(C)c(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C 587816232 VNSFPDWTMYMCKC-RKFFSXRUSA-N 404.367 5.928 0 1 HKAF CCCCCc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587816462 YLKSHLDNKNPTDM-QRQCRPRQSA-N 404.367 6.119 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccsc3)cc2)N1 587855354 VBTSARUFVREHKR-YUNKPMOVSA-N 402.332 5.940 0 1 HKAF C=C1NNC(=O)C(c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)=C1C 587922898 HUFXHVXVROGQKZ-UHFFFAOYSA-N 416.481 5.019 0 1 HKAF CC(C)(C)Sc1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 587923919 RVPKTKSZYNHFQM-UHFFFAOYSA-N 418.609 5.739 0 1 HKAF CCCCc1ccc(-c2ccc(-c3nc(-c4ccc(SC)cc4)cs3)cc2)cc1 587924539 BWBKPAYEPJFXHO-UHFFFAOYSA-N 415.627 8.209 0 1 HKAF COc1cccc(CCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 587932524 ZGUGBDHSSAJJMY-UHFFFAOYSA-N 415.209 5.018 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]12CCc1ccccc1C2 961748183 IZWBEEYLQPRUEH-SANMLTNESA-N 404.554 5.222 0 1 HKAF O=C(O)CCCC[C@]1(c2c(F)cccc2F)NCCc2c(Cl)cc(Cl)cc21 963122843 ORUISXDKYRECRA-FQEVSTJZSA-N 414.279 5.306 0 1 HKAF Clc1ccccc1-c1ncccc1C[C@H](c1cccnc1)c1cccnc1Cl 1772637125 XYAPGPIGTTXTDZ-HXUWFJFHSA-N 406.316 6.220 0 1 HKAF COc1ccc2nc3c(-c4ccc5c(c4)OCO5)n(Cc4ccc(C)cc4)ccc-3c2c1 1857539335 CYJRPPVFVJBSKU-UHFFFAOYSA-N 422.484 5.902 0 1 HKAF COc1ccc2nc(-c3cccnc3-c3cc(OC)c(OC)c(OC)c3)sc2c1 1857582383 JBANRABXFXAXFT-UHFFFAOYSA-N 408.479 5.060 0 1 HKAF Fc1cc(Cn2c(-c3cscn3)nc3c(Cl)cccc32)cc(C(F)(F)F)c1 1857601940 WGOPWYHWCVOUMI-UHFFFAOYSA-N 411.811 6.019 0 1 HKAF C[C@@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N1CCC(Cc2ccccc2)CC1 2356290141 KDLMOKFNTGUPHP-MRXNPFEDSA-N 424.928 5.143 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2[C@H](OC(=O)C=C(C)C)c3occ(C)c3C[C@@]2(C)[C@H]1C 2356528527 YFTBXGVKABIJQN-ILNWASDLSA-N 414.542 5.625 0 1 HKAF CC1=C2C[C@@]34[C@H]5CC[C@@H](C6=CCC7=C6[C@@H]3[N@]3C[C@]36CCC[C@H]6C7)[C@@]4(C)[C@@]2(CC1)[C@@H](C)C5 2356773486 ALLKUGHSKORXDO-WBCZUVRUSA-N 413.649 6.813 0 1 HKAF CCN(CC)CCC[C@@H](C)N[C]1c2ccc(Cl)cc2Nc2ccc(OC)cc21 2356816869 CMOLSFKMUUVANM-MRXNPFEDSA-N 400.974 5.434 0 1 HKAF CC[C@H](C)Oc1c(C(=O)N[C@@H]2CN3CCC2CC3)cc(Cl)cc1C1CCCCC1 13451295 SWXPKOBGSPXSSP-KSFYIVLOSA-N 419.009 5.389 0 1 HKAF CN(C[C@@H](CCN1CCCCC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 13534597 YIJOFUDGMDRJCT-HXUWFJFHSA-N 419.396 5.725 0 1 HKAF COc1cccc(CN2CCC(CCC(=O)c3ccc4c(c3)NCCCC4)CC2)c1 13737861 HPJURFKSTPRCQI-UHFFFAOYSA-N 406.570 5.319 0 1 HKAF Oc1ccc2cc1Oc1ccc(cc1)CCc1ccc(c(O)c1)-c1ccc(cc1O)CC2 14676883 LEEUWLLOFRIZOI-UHFFFAOYSA-N 424.496 6.147 0 1 HKAF biogenic CC(C)=CCC/C(C)=C/Cc1c(-c2ccc(O)cc2O)oc2cc(O)ccc2c1=O 14688689 VEQHJLTWOODSMA-FRKPEAEDSA-N 406.478 5.812 0 1 HKAF endogenous,in-man O=C(Nc1cccc2cnccc12)N[C@@H](c1ccccc1)c1ccc(C(F)(F)F)cc1 14973639 GDMIQADOPFXIJS-QFIPXVFZSA-N 421.422 6.165 0 1 HKAF COc1ccc(C2=NN(c3ccccc3)C(=O)[C@@H]3CC=CC[C@@H]23)cc1OC1CCCC1 26153734 CMEUONJHZIAWNP-FGZHOGPDSA-N 416.521 5.350 0 1 HKAF S=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1Cc1c[nH]c2ccccc12 28240989 JCWBYEFGRWLWRC-QFIPXVFZSA-N 415.949 6.023 0 1 HKAF C[C@@H](CN1CCCC[C@@H]1CCC1CCCCC1)c1cccc(C(=O)c2ccccc2)c1 29413112 RTGQEPZLTBYSMQ-NEKDWFFYSA-N 417.637 7.236 0 1 HKAF CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(OC)cc12 40430738 BBDRAMJWBYOEQX-UHFFFAOYSA-N 406.526 5.455 0 1 HKAF CCCOc1ccc(Oc2ccc(-c3ccc([C@@H](C)NC(=O)COC)cc3)cc2)cc1 45245482 YUZRPXRHVKPVGK-LJQANCHMSA-N 419.521 5.758 0 1 HKAF FC(F)(F)c1ccc(Nc2noc3c(-c4cccc(C(F)(F)F)c4)cccc23)cc1 45290558 NYHXPSCVLJLSMW-UHFFFAOYSA-N 422.328 7.276 0 1 HKAF O=C(OC/C=C/CSc1nnc(-c2cccc3ccccc23)o1)c1ccc(F)cc1 64527854 BWZLBQUWVWWCCW-ONEGZZNKSA-N 420.465 5.534 0 1 HKAF C[C@@H](c1ccc(-c2ccc(F)cc2)cc1)N1CC[C@](CCO)(c2ccccc2)OC1=O 72117120 IROTYPHWZUZEAY-SIBVEZHUSA-N 419.496 5.674 0 1 HKAF CCOC(=O)c1c(/C=C\CCCCCCCCO[C@@H]2CCCCO2)cccc1OC 73067718 CDIPBCLPESNNDH-MMIRBSHRSA-N 418.574 6.159 0 1 HKAF Cc1ccc(CNc2ncc(-c3ncc(C)o3)c(-c3ccc(-c4ccccc4)cc3)n2)o1 82176297 WUNIVDFBRIRXHK-UHFFFAOYSA-N 422.488 6.288 0 1 HKAF Cc1ccccc1-c1nc(N(C)CC(C)C)ncc1-c1ncc(-c2ccccc2)s1 82177293 OSHCPOMOKHFJHE-UHFFFAOYSA-N 414.578 6.335 0 1 HKAF COc1ccc(-c2oc3ccc(OCc4ccc(F)c(F)c4)cc3c2C(=O)O)cc1 84668389 SAEAOSRFGJWQSI-UHFFFAOYSA-N 410.372 5.664 0 1 HKAF CCc1ccc(-c2ccc(COCCCP(=O)(O)O)nc2-c2ccccc2)cc1 96174500 LELDVOCGBCKZHB-UHFFFAOYSA-N 411.438 5.062 0 1 HKAF Clc1ccccc1N1[C@@H](c2ccccc2)[C@@]12C(c1ccccc1)=Nc1ccccc12 103276058 ASEADESIJRXCAJ-SDLWSTGNSA-N 406.916 6.931 0 1 HKAF CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(F)c2)C2=C(O)CC(C)(C)CC2=N1 103521151 UTDXVQRLNIJCBE-QHCPKHFHSA-N 419.496 6.013 0 1 HKAF CC(C)(C)NC(=O)[C@H]1c2ccccc2C(=O)N1Cc1cc(F)ccc1-c1ccccc1 141339180 HVNDSMXIHVHCOQ-HSZRJFAPSA-N 416.496 5.105 0 1 HKAF CC(=O)Nc1cc(Oc2ccc3c(c2)nc(Nc2ccc(C(C)C)cc2)n3C)ccn1 166495848 WLEYVDRNBJKUAC-UHFFFAOYSA-N 415.497 5.586 0 1 HKAF O[C@H](CNC1CCCC1)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12 169334676 CDEOWMZUBBIQSQ-OAQYLSRUSA-N 401.337 5.774 0 1 HKAF Clc1cc(-c2ccccc2-c2nc3ccccc3o2)ccc1OCc1ccccc1 169350533 HJDJQJHRTMOECV-UHFFFAOYSA-N 411.888 7.394 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@@H]1c1ccc(-c2ccc(C)cc2)cc1 169728387 RURSCLVYCLIHPW-JWQCQUIFSA-N 415.533 5.653 0 1 HKAF C[C@H]1CCC([C@@H](C)[C@H]2[C@@H](O)C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]32C)=NC1 255221377 JMSRDKIFVZVAMX-AZJJMDDWSA-N 413.646 5.404 0 1 HKAF CC(C)=CCC/C(C)=C\Cc1c(O)cc(O)c(C(=O)CCc2ccc(O)cc2)c1O 299819890 CQWUAFIQKBZOAW-IDUWFGFVSA-N 410.510 5.560 0 1 HKAF Cn1cc(-c2cccc(Oc3nccc(-c4cn[nH]c4)n3)c2)c2nc3ccccc3cc21 299832520 IMFCUDOVYBTVFV-UHFFFAOYSA-N 418.460 5.366 0 1 HKAF CS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@@H]2c2ccc3ccccc3c2)cc1 299840856 ZPPWPZZIZWEACX-LJQANCHMSA-N 418.440 5.113 0 1 HKAF CCCCOc1cc2nc([C@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2cc1Br 586889280 MCZQQYWWYOTHNQ-VBKZILBWSA-N 417.347 5.650 0 1 HKAF COc1ccc2cccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2c1 586993260 WOZLZSUULPJDGX-UHFFFAOYSA-N 403.437 5.981 0 1 HKAF Brc1ccc2cc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)cn2c1 587006102 HHOQJICINXYVIZ-UHFFFAOYSA-N 418.294 5.824 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(Cl)nc5[nH]4)c23)cc1 587038279 OCVTTWAPTGLMDD-UHFFFAOYSA-N 423.954 5.884 0 1 HKAF FC(F)(F)C(F)(F)c1cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2cn1 587050750 QKPOXQOSEZMZPK-UHFFFAOYSA-N 412.749 5.723 0 1 HKAF Clc1cc(Br)c2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 587052138 WZJYREMEJBVOIC-BDAKNGLRSA-N 416.533 6.557 0 1 HKAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)n1 587079621 JLZZJYKUHPFGMC-ZETCQYMHSA-N 421.648 5.832 0 1 HKAF Cc1c(-c2ccc(Br)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587102453 TYUXHZOONONLMH-UHFFFAOYSA-N 400.275 6.184 0 1 HKAF O=C1c2ccccc2-c2cc(COc3ccc(-c4ccccc4)cc3)nc3cccc1c23 587105662 DDUVTLYYUSVZGY-UHFFFAOYSA-N 413.476 6.692 0 1 HKAF FC(F)COc1cccc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)n1 587123072 HQGHPONLTLLIHW-UHFFFAOYSA-N 422.151 5.050 0 1 HKAF CC(C)Oc1cc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2cc1Br 587140293 XRJUBTAKFDFSDZ-UHFFFAOYSA-N 413.237 5.315 0 1 HKAF CC(C)C[C@@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350696 FCWWGKZHZVWJMZ-AHWVRZQESA-N 404.481 5.918 0 1 HKAF CCOC(=O)c1cccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)n1 587362125 BSOSCIRRGXEWAJ-UHFFFAOYSA-N 424.456 5.895 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccccn2)(c2cccs2)[C@H]1c1ccc(F)cc1 587374617 KYQSCQGQONMTGV-LADGPHEKSA-N 417.461 5.291 0 1 HKAF C[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2S1 587376337 WQBQMFRPXPGRNH-FUEHQLCJSA-N 406.478 5.670 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(Nc3ccccc3Cl)nc1Cl)O2 587415374 ZKWTZGBCTYNTJD-OAHLLOKOSA-N 420.321 5.791 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C=O)c(O)c3)cc1)CC2=O 587480021 DSHPDEJQYAVUJO-XMMPIXPASA-N 402.446 5.236 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H]1O[C@@H]1c1ccccc1)CC2=O 587487149 NCXMQXPZFDXNLD-AFESJLNVSA-N 400.474 5.346 0 1 HKAF COc1cc(Br)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587501434 XLQZEEFGSGSRLM-GOSISDBHSA-N 417.299 5.052 0 1 HKAF Cc1ccc(-c2nc3ncccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587514667 IWTKMQHKIWGXKT-JOCHJYFZSA-N 409.489 5.290 0 1 HKAF CCOC(=O)C[C@@]1(Cc2cc(C)cc(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587521016 CHCOCVRRQAANOH-AREMUKBSSA-N 406.522 5.082 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C(F)(F)F)ccc1F 587543301 BNKFOFNCCWBSOW-FXAWDEMLSA-N 404.315 5.253 0 1 HKAF Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1C(F)(F)F 587548654 OIFWPGRKXPHRDH-SIKLNZKXSA-N 414.379 5.596 0 1 HKAF Cc1cccnc1[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587589573 VQZSMUUWBDBDNF-FTGWLVSGSA-N 401.462 5.154 0 1 HKAF CC(C)(C)[C@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599963 JMDIAHRQQQAPQX-ATIYNZHBSA-N 402.490 5.772 0 1 HKAF CC(C)CCCCCCCCCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604383 WDHDIMXXERCFAF-ILBGXUMGSA-N 424.581 7.279 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1COc1ccccc12 587606496 DHSGCYGKEOCNJR-SHQCIBLASA-N 422.436 5.190 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-n1cc(Br)cn1 587625275 FFWVRDYEYADCCH-UHFFFAOYSA-N 412.131 5.462 0 1 HKAF CCCc1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626414 SLMDKFBLXYHPCM-UHFFFAOYSA-N 405.769 7.478 0 1 HKAF COc1cc(C)c(Cl)c(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587691125 CETMTYYYCASFAU-APBUJDDRSA-N 412.730 5.491 0 1 HKAF Cc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587708745 DFLQSFFGXUXKSW-XIKOKIGWSA-N 416.256 5.545 0 1 HKAF CC(C)n1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 587756775 MALNHZPOYMWBSK-BLVKFPJESA-N 402.311 5.142 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2)cc1O 587787288 UQSADTDIWIGXEF-UHFFFAOYSA-N 402.347 5.769 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(C3CCC(=O)CC3)CC2)N1 587818930 SUZNBJDTOHNZNK-PCODGMICSA-N 408.355 5.267 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)CCc3ccccc32)N1 587822864 MZKXGWREFICOFT-PEBXRYMYSA-N 402.351 5.729 0 1 HKAF Cc1cc(C)c2c(c1)[C@]1(CCCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587833016 DPSXETDAMYWXQE-QKKBWIMNSA-N 404.323 5.155 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C3CCCCC3)s2)N1 587849152 QTYZNHCNCWIMOL-MPBGBICISA-N 408.380 6.321 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(-c3ccccc3)s2)N1 587852156 DLMBEKVWDRARCL-ADLMAVQZSA-N 403.320 5.335 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(-c2ccccc2)cc1 587867322 BEIGKENPJYALRJ-UHFFFAOYSA-N 423.394 5.328 0 1 HKAF C[C@H](Cc1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1)n1cccn1 587922323 ATPVVJBUUDPCJV-OAHLLOKOSA-N 402.498 6.098 0 1 HKAF Fc1ccc(C[C@@]2(C(F)(F)F)c3ccsc3CCN2Cc2cccnc2)cc1 962997175 KJLOKQVVHOTUAC-FQEVSTJZSA-N 406.448 5.341 0 1 HKAF O=C(C[C@@]1(c2ccc(Cl)cc2)c2ccc(F)cc2C[C@H]2CCCN21)C(F)(F)F 963096182 CSMPMFLUEKGPGO-YLJYHZDGSA-N 411.826 5.265 0 1 HKAF Fc1cccc2c1[C@@](CCC1OCCCO1)(c1ccccc1Cl)N1CCC[C@H]1C2 963098507 IERJVOAAMUFGSJ-MHECFPHRSA-N 415.936 5.286 0 1 HKAF COc1ccc([C@@H]2C[C@@H]2[C@@]2(c3ccccc3)NCCc3c(Cl)cc(Cl)cc32)cc1 963111800 SHMHWERPEFXFDZ-RSEQLOHWSA-N 424.371 6.195 0 1 HKAF Cc1cc2nc(-c3cccc(Oc4ccccc4)c3)cc(-c3ccccc3)c2cc1C 1772614698 IKJCRJLLHCOTJQ-UHFFFAOYSA-N 401.509 7.978 0 1 HKAF COC(=O)[C@@H](C)c1ccc(-c2ccc(NCc3nc(C)c(C)nc3C)cc2)c(F)c1 1911574084 UDFDMGPYOKAYCP-AWEZNQCLSA-N 407.489 5.097 0 1 HKAF CC(=CCN1[CH]N(C)c2ncnc(N)c21)CC[C@@]1(C)[C@@H]2CCC=C(C)[C@@]2(C)CC[C@H]1C 2356311817 IMMRUMDJLDNKKI-WSAILGMDSA-N 422.641 5.960 0 1 HKAF CCCCC[C@@H]1C[C@@H]2[C@H](NC)CC[C@]34[C@H](O)C[C@@]5(C)CCC[C@@](O)(C5)[C@@H]3C[C@]24C1 2356425838 TZHRSSAYNMUCJN-AXRXFJPZSA-N 403.651 5.043 0 1 HKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5COC(=O)[C@@H]54)C3=CC[C@H]12 2356792694 KBLMWKUJRWQIBA-GINPPBHVSA-N 412.570 5.228 0 1 HKAF Cc1nc2ccc(Cl)cc2c(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1 3782959 WRMOSELMQIYDOA-HNGSOEQISA-N 411.860 5.082 0 1 HKAF Cc1ccc(NC(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@@H]2C(=O)O)cc1 13133244 NOCDKRIOXMJXFY-ROHNOIKCSA-N 411.501 5.388 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccc(Cl)cc2)CCCC1 13736812 WFPYGTHGMKRIFV-UHFFFAOYSA-N 413.005 7.220 0 1 HKAF COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(-c3cccnc3)cc1)CC2 13806144 XMPCLHRCNNVLNT-UHFFFAOYSA-N 413.399 5.371 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)c1c(O)cc(OC)cc1O 14817813 TWVROMMANBHSID-JEBPEJKESA-N 424.581 7.211 0 1 HKAF O=C(O)c1cccc([C@@H](CC(=O)c2ccc(F)cc2)CC(=O)c2ccc(Cl)cc2)c1 27651969 RAFOTLNSPRQIFY-LJQANCHMSA-N 424.855 5.807 0 1 HKAF C[C@H](C1=NC[C@H](C)CC1)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 39205589 JMSRDKIFVZVAMX-FZHOSMKISA-N 413.646 5.404 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 65731383 DDJMOMHMVFXEQF-HJQQVSFMSA-N 400.691 7.923 0 1 HKAF F[C@H]1CCCN(Cc2cccc(-c3nc(-c4cccc(C(F)(F)F)c4)c[nH]3)c2)C1 66252667 VURDZIDCCAHGMT-IBGZPJMESA-N 403.423 5.696 0 1 HKAF CCCCCc1nc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccccc2C)oc1C 82177375 PWBBNERRPCVXFB-LJQANCHMSA-N 420.557 5.739 0 1 HKAF Fc1ccc(-c2cc(-c3nc4ccc(Cl)cc4[nH]3)c3cc(Cl)ccc3n2)cc1 84710737 HMXQFLGAEBFMML-UHFFFAOYSA-N 408.263 6.891 0 1 HKAF O=C(c1ccc(Oc2ccccc2)cc1)c1cc2c(Br)c(O)ccc2[nH]1 95561737 SLMDPNNJILTBLT-UHFFFAOYSA-N 408.251 5.659 0 1 HKAF Cc1ccc([C@H]2N(C)c3ccccc3C(=O)N2c2ccccc2C(F)(F)F)s1 95580704 BHLJTNKHTUIKEH-IBGZPJMESA-N 402.441 5.871 0 1 HKAF CCS(=O)(=O)c1ccc2[nH]c(C3(c4ccc(-c5ccccc5)cc4)CC3)nc2c1 95593093 AKBZSYMZMOXGJC-UHFFFAOYSA-N 402.519 5.103 0 1 HKAF Cc1cc(C)cc(-c2cccc([C@H]3COc4cc5c(cc4O3)OC[C@H]5CC(=O)O)c2)c1 96269859 KDKFTFZOZCZNAP-CJFMBICVSA-N 416.473 5.434 0 1 HKAF CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(-c2ccccn2)s1 96271712 WNSAZKQGDZGAMU-UHFFFAOYSA-N 403.511 5.829 0 1 HKAF CC(=O)NC[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-c2c(C)noc21 96284464 MLNSSQJJHZUHDD-INIZCTEOSA-N 413.930 5.010 0 1 HKAF CC[C@H](C)Sc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(OC)cc1 100703586 AFCYUUBDVZHPMC-YVEFUNNKSA-N 411.527 5.295 0 1 HKAF COc1ccc(/C=C2\CCCC3=C2N=C2SC=CN2[C@@H]3c2ccc(OC)cc2)cc1 102897089 JQRSYAARZMLUFG-KRNATXNASA-N 416.546 6.156 0 1 HKAF CC(C)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3cc4c(cc32)OCCO4)cc1 103889907 XJJZWQAMTIKYTF-XMMPIXPASA-N 403.522 6.431 0 1 HKAF CC1(C)CC2=Nc3ccccc3N[C@@H](/C(Br)=C\c3ccccc3)C2=C(O)C1 103943782 SHRSGOCRAUCRAD-KFGZODLXSA-N 423.354 6.621 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2cccnc2)C[C@@H](c2ccc(Cl)cc2)C1 104695078 RAZVJQYKUPXGSK-OSPHWJPCSA-N 401.897 6.364 0 1 HKAF COc1ccc2cc(CN3C(=O)CCC[C@H]3c3c(OC)cccc3OC)ccc2c1 167871138 YBAASJZFNMNVPA-NRFANRHFSA-N 405.494 5.119 0 1 HKAF CCCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(Cl)cc12 169312075 PXHPTDZBZGTBLR-UHFFFAOYSA-N 423.988 5.737 0 1 HKAF CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 169684339 LMMRHWWBNFVJIU-TYKWNDPBSA-N 404.679 6.584 0 1 HKAF CC(C)(COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cc2)cc1)C(=O)O 205344351 GDVWUPHZMKWTRV-UHFFFAOYSA-N 404.388 5.252 0 1 HKAF CN(C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1)c1ccccc1 299830289 IFWOXKXZOWXEFY-UHFFFAOYSA-N 415.276 5.881 0 1 HKAF CCCCCn1c(-c2ccccc2)c2c(=O)n(-c3ccccc3)nc-2c2ccccc21 299865818 UPYMWORQWAXUNE-UHFFFAOYSA-N 407.517 6.149 0 1 HKAF FC(F)(F)Oc1cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1Br 586883296 AMBHLMLUMFGCPB-KPZWWZAWSA-N 423.232 5.596 0 1 HKAF CC(C)COc1cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2cc1Br 586884783 IVIAGOKOPYFESZ-ZHRRBRCNSA-N 411.343 5.732 0 1 HKAF O=C1c2ccccc2-c2c(Cc3ccc(C(F)(F)F)cc3)cnc3ccc(O)c1c23 586987603 ZMWIJDALULGDOY-UHFFFAOYSA-N 405.375 5.761 0 1 HKAF CCc1ccc(-c2nc(-c3nc4cc(Br)c(F)cc4[nH]3)cs2)cc1 587015454 DQFUEASTQFWOFI-UHFFFAOYSA-N 402.292 5.817 0 1 HKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587044662 LPLQTQOMRWTUOF-UHFFFAOYSA-N 409.166 5.712 0 1 HKAF Clc1ccc(-c2cc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)ccc2Cl)cc1 587048546 XENWOSUTIXMKHI-UHFFFAOYSA-N 409.103 6.906 0 1 HKAF Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 587052155 XBHCVYQFYPSIRM-NKWVEPMBSA-N 417.521 5.952 0 1 HKAF Fc1cnc(Cl)c2[nH]c(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587071486 NLTRNKMLXMZLFL-RMKNXTFCSA-N 414.267 6.153 0 1 HKAF Nc1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cn1 587074825 CVWOHWVPYLLHME-PTNGSMBKSA-N 423.907 5.896 0 1 HKAF COC(=O)c1ccc2nc(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)[nH]c2c1 587082684 BDVLXWWAYATJBM-UHFFFAOYSA-N 417.852 5.787 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(Oc4ccc(F)cc4)cc3)nc3cccc1c23 587104986 YIEAGODSBVJNPS-UHFFFAOYSA-N 417.439 7.045 0 1 HKAF FC(F)(F)c1cncc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 587115720 YHYAURFXWWIAAZ-UHFFFAOYSA-N 410.115 5.425 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)cc2F)c1 587142952 HTEURMKCCCAKKS-UHFFFAOYSA-N 409.892 6.391 0 1 HKAF Clc1cc(Br)cc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 587230745 YNPIVRCBMDKCFG-UHFFFAOYSA-N 413.706 5.653 0 1 HKAF C[C@@]1(c2ccc(C(F)(F)F)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327788 HMTHCYMYKWVFEE-FPOVZHCZSA-N 417.358 5.219 0 1 HKAF CCOc1ccc([C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587352474 OLWSXHKVXSWGGR-AOYPEHQESA-N 418.464 5.594 0 1 HKAF COc1cccc(-c2c(Cc3c(F)cccc3Cl)cnc3c2oc2ccccc23)c1 587360142 MMPNHCNHDBFSBD-UHFFFAOYSA-N 417.867 7.040 0 1 HKAF COC(=O)[C@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2CC1 587363301 PWPPGWKCFKYRDQ-OAHLLOKOSA-N 401.462 5.325 0 1 HKAF COc1cccc(-c2cc(-c3ccc(OC[C@@H]4CO4)cc3)nc3c2oc2ccccc23)c1 587365298 FQVAILZWPQYZNV-OAQYLSRUSA-N 423.468 6.101 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](S(C)(=O)=O)CCC3)c1 587367060 XWEPVQOFYWDBRX-LJQANCHMSA-N 407.491 5.079 0 1 HKAF Cc1ccc(SC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587369637 MRASQVYFEIJJJT-LADGPHEKSA-N 408.494 5.750 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(Br)cc3)noc1C)O2 587371599 LFSXYJFFNZPBEO-KRWDZBQOSA-N 413.271 5.010 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(-c3ccccc3)cc1)O2 587403914 AKPSKZUTNFTCFN-NDEPHWFRSA-N 405.497 6.153 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(Br)cc4)o1)[C@@H](C2)C3=O 587417113 ITKQZFVNTMLGET-YCRPNKLZSA-N 411.251 5.206 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3cc(F)cc(F)c3)cc1)CC2=O 587467784 RWRWQHYRYCASRT-QHCPKHFHSA-N 410.416 6.122 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(F)c(Br)cc31)CC2=O 587470096 DEFAITXXCSZIJG-FQEVSTJZSA-N 405.263 5.053 0 1 HKAF O=C1C[C@H](c2c(-c3ccc(F)cc3)nc3ncccn23)Oc2c1ccc1c2CCCC1 587507736 NXFACJBQKMOSGG-OAQYLSRUSA-N 413.452 5.121 0 1 HKAF Nc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)CC(=O)c2ccc3c(c2O1)CCCC3 587511287 OPEXVWGDLCPCDL-MHZLTWQESA-N 409.485 5.442 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ccc(Cl)cc2n1 587555247 ZLVPWIGINRRCDS-REWPJTCUSA-N 403.821 5.297 0 1 HKAF C[C@]1(c2ccc(F)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573143 XYPQSBQEHDHYLV-WIOPSUGQSA-N 400.405 5.562 0 1 HKAF C[C@@]1(C(c2ccccc2)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600279 NPMVHQKJMGIIMO-LSYYVWMOSA-N 422.480 5.945 0 1 HKAF Cc1cc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)ccc1O 587608981 NPVMMNOFTKJTAO-SQHAQQRYSA-N 424.452 5.776 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccccc2)s1 587608999 AWRGZGVMDOAOOE-DENIHFKCSA-N 401.443 5.219 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccncc3)c(-c3ccccc3)[nH]c2c1 587627556 CHGQDXBLOSYSGD-UHFFFAOYSA-N 406.329 6.935 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(CSc3ccc(F)cc3)c2c1 587641367 IHMMGRGWQPGINZ-MRXNPFEDSA-N 407.529 7.919 0 1 HKAF CCOC(=O)c1[nH]c2ccc([C@@H](C)CC)cc2c1C(=O)c1ccc(C(F)(F)F)cc1 587643505 UZQSSLIYMMYMAB-ZDUSSCGKSA-N 417.427 6.108 0 1 HKAF O=C(c1cc2cccc(F)c2s1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658339 MFDWYRBLGBABHF-UHFFFAOYSA-N 418.424 5.245 0 1 HKAF CC(C)CCC[C@H](C)NC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660907 JQOTWKLAQAKAAM-INIZCTEOSA-N 411.546 5.140 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCN(Cc3ccccc3)CC2)N1 587766142 FQKDMJLCCJSPBJ-OYHNWAKOSA-N 417.366 5.076 0 1 HKAF CCCCCCOc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587791935 KDVZXZAJGYNTBV-IVZQSRNASA-N 420.366 6.171 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C23CC(CC(=O)OC(C)(C)C)(C2)C3)N1 587795169 QUYZHGHKAACAPQ-JRWBGUHLSA-N 424.354 5.066 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(-c3ccccc3)no2)N1 587798361 VEBDNABIXFDLJC-ODXCJYRJSA-N 401.279 5.041 0 1 HKAF CCOc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)CCC2 587802843 VJCFEOFWYTWHGI-LAJNKCICSA-N 404.323 5.099 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1cccc(SC)c1 587863942 UDXSXSGOGBQVEH-UHFFFAOYSA-N 423.485 5.545 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1csc2c1CCCC2 587864929 VHEWCTHJLMJBSM-UHFFFAOYSA-N 406.429 5.206 0 1 HKAF Cc1ccc(-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)cc1F 587923079 MSGFXCDZQRNMIC-UHFFFAOYSA-N 402.469 7.212 0 1 HKAF Cc1ccnn1CCc1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923094 OCVFKSYPMIPPIC-UHFFFAOYSA-N 402.498 5.845 0 1 HKAF COC(=O)c1cc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 587962131 VDTJCHQGTZLCTQ-WMZOPIPTSA-N 415.468 5.578 0 1 HKAF Cc1cccc(CC[C@]2(c3ccc(C)c(C)c3)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963037811 WBQWIKVHJNTRNT-RNWIMVQKSA-N 424.588 5.542 0 1 HKAF O=C(/C=C/c1ccccc1)Nc1cccc(CNC(=O)c2cc3ccccc3s2)c1 1772657528 YOOFKMLSRHWAQH-BUHFOSPRSA-N 412.514 5.483 0 1 HKAF Cc1nc2c(oc3nc(-c4cccs4)cc(C(F)(F)F)c32)c(=O)n1C1CCCC1 1857751651 ODMCNZGSTVTHJB-UHFFFAOYSA-N 419.428 5.709 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC(C)(C)[C@@H]2CC=C(C)[C@@H](CCC(C)=CC(=O)O)[C@@]2(C)C1 2356416204 LEMSFGHOXFQURQ-NAZDKBRTSA-N 402.575 6.084 0 1 HKAF CC(C)CC=C[C@@H](CO)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356505444 FJZWOTQYPZTQLK-PERCSONFSA-N 402.663 6.217 0 1 HKAF CC(C)CC[C@H](C)[C@]1(C)CC[C@]2(C)C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@@H]1[C@H](O)C3 2356541185 QHISKWZQHJJWLW-KFPIYUMISA-N 416.690 6.894 0 1 HKAF Cc1cc(=O)c2c(o1)O[C@]1(C)CC[C@H]3[C@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@H]1C2 2356852840 QTXCTSXJSCIHGH-XNTRNVEESA-N 412.570 5.480 0 1 HKAF CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C(=O)O)CC4=C(C(=O)O)CC[C@@H]4[C@]4(C)C[C@@H]4[C@@H]3[C@@H]12 2356863720 VHYIXEUPLWPJOV-FSYJWZITSA-N 400.559 5.377 0 1 HKAF Cc1ccc(S(=O)(=O)n2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)cc1 1630955 REJLZBHFAFIOFB-UHFFFAOYSA-N 423.537 6.521 0 1 HKAF C[C@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1)c1ccc(F)cc1 4208327 SCENWXDAMFQKAL-LPLGYCIKSA-N 412.848 5.041 0 1 HKAF CC(=O)N1c2ccc(NC(=O)c3ccco3)cc2[C@@](C)(c2ccccc2)CC1(C)C 13611354 JAPOEXTWJODKEF-RUZDIDTESA-N 402.494 5.373 0 1 HKAF COc1cccc(-c2cc(OCCCC[C@H](C)C(=O)O)nc(-c3ccccc3)c2)c1 13729767 CLCYPUVDBPCOQP-SFHVURJKSA-N 405.494 5.694 0 1 HKAF CCCOCCCCCCC(C)(C)C(=O)Nc1c(OC)ccc2c1OCCC2=O 13742724 MBRQTAGOSPWCRP-UHFFFAOYSA-N 405.535 5.002 0 1 HKAF O=C1NC[C@H](c2ccc(F)cc2)C12CCN(C1(c3ccc(F)cc3)CCCCC1)CC2 13982666 IOYMPNIPADFRMW-HSZRJFAPSA-N 424.535 5.120 0 1 HKAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)SC(C)(C)C)[C@H]3CC[C@@H]12 26387352 ZTCPRLTVZUYVAK-LYNBEELSSA-N 405.648 5.524 0 1 HKAF CCCCNC(=O)c1cc(/C=C/c2ccccc2F)ccc1-c1ccc(Cl)cc1 26962550 LWYPSDROYWEEAI-CSKARUKUSA-N 407.916 6.846 0 1 HKAF CC(C)C[C@@H]1CN2C(=NC[C@@H]2C2CCCCC2)N1[C@H](C)C12CC3CC(CC(C3)C1)C2 27298644 MAZRBQBUKHKABG-UHXYCBGHSA-N 411.678 5.942 0 1 HKAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@@H]1N(C)CCc1ccccc1 28237811 DUOSFJSYYXCVHX-VXKWHMMOSA-N 419.396 5.832 0 1 HKAF Clc1cccc([C@@](c2ccc(CN3CCCC3)cc2)(c2ccoc2)n2ccnc2)c1 29134764 KURRCMBXISJIRZ-VWLOTQADSA-N 417.940 5.566 0 1 HKAF CN(C(=O)Nc1c(Cl)cccc1Cl)c1cc(Nc2ccc(F)cc2)ncn1 36187637 BLYNKZZTZOUBKQ-UHFFFAOYSA-N 406.248 5.334 0 1 HKAF CC(C)=CCc1c(O)c(C)cc2c1O[C@@H]1c3cc4c(cc3OC[C@H]21)OC(C)(C)C=C4 43075102 UGKOYAUMAZQEFW-CJFMBICVSA-N 404.506 6.003 0 1 HKAF biogenic COc1ccc(-c2ccc(C(=O)N[C@H](CCN(C)C)c3ccc(Cl)cc3)cc2)cc1 45286102 KZKNNJVXJXKSEB-XMMPIXPASA-N 422.956 5.438 0 1 HKAF CC[C@@H](C)CNC(=O)c1ccc(OC2CCN(CC3CCCCC3)CC2)c(Cl)c1 45315792 CAQWFVVXDRCHJT-GOSISDBHSA-N 421.025 5.539 0 1 HKAF CSc1ccc(NC(=O)Nc2c(-c3cccc(F)c3)[nH]c3ccccc3c2=O)cc1 49048007 LJTZRUAUOOGLCW-UHFFFAOYSA-N 419.481 5.700 0 1 HKAF CCc1cnc(-c2cnc(NCCOc3ccccc3)nc2-c2ccccc2C)s1 82177363 WZLHQEKZHGOEOD-UHFFFAOYSA-N 416.550 5.629 0 1 HKAF CC[C@H](C)Cn1c(-c2ccsc2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181238 MVIXJXDNLJIGSF-AWEZNQCLSA-N 411.962 5.866 0 1 HKAF CC[C@H](C)Cn1c(-c2ccccc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82184780 MVVCMXDXANNZLB-INIZCTEOSA-N 405.933 5.805 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccsc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188259 GGKXTGYUHDAGIJ-SJORKVTESA-N 405.571 5.817 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCc3cccs3)ncnc21 82190105 XEQHPVIENRHHNV-CQSZACIVSA-N 411.962 5.866 0 1 HKAF CCC(=O)N(c1ccccc1)[C@@H]1CCN2C[C@@H](c3ccccc3)c3ccccc3[C@@H]2[C@@H]1C 84587676 BFZJMMUILZGQKI-VCPHKXHJSA-N 424.588 6.027 0 1 HKAF c1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@@H]32)cc1 95559503 CJFITVUYKIGKBQ-UNCTUWKVSA-N 403.550 7.416 0 1 HKAF COc1ccccc1C(=O)Nc1cc2[nH]c(-c3ccco3)nc2cc1N1CCCCC1 96928349 DBKAYZMAKGGENR-UHFFFAOYSA-N 416.481 5.074 0 1 HKAF FC(F)(F)c1ccc(N(c2cccnc2)C2CCN(c3nccs3)CC2)cc1 103303214 XAACDTNCWKPUDH-UHFFFAOYSA-N 404.461 5.364 0 1 HKAF CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137391162 ZSNZJJYKGGJXRT-ULFBJNFVSA-N 418.662 5.330 0 1 HKAF Nc1cnc2sc(S(=O)(=O)c3ccc(Cl)cc3)c(-c3cccc(F)c3)c2c1 138815051 RCONMEIWONTARI-UHFFFAOYSA-N 418.902 5.171 0 1 HKAF CCOc1cccc(F)c1[C@@H]1C[C@H](C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 167455640 PHWSQDIMXZLFQJ-GUYCJALGSA-N 411.395 5.233 0 1 HKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCN(C(=O)CN)C=C21 169319666 FUOPUFUPGVAHIK-SQGPQFPESA-N 414.590 5.031 0 1 HKAF O=C(O)COc1cc2c(c(Cl)c1Cl)C(=O)[C@@]1(c3ccccc3)CCCC[C@H]21 169323054 CGSWWVIWWZGZMO-SPLOXXLWSA-N 405.277 5.249 0 1 HKAF CC[C@H]1[C@H]2[C@H](c3c(c4ccccc4n(C)c3=O)OC2(C)C)[C@@H]1c1ccc(OC)c(F)c1 169338454 OWXXXJHWSQBEGB-ZARRYTOOSA-N 421.512 5.381 0 1 HKAF COc1cc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccc(F)cc2)cc(OC)c1 218339243 ACTBTBNNLIREQC-QHCPKHFHSA-N 404.441 5.360 0 1 HKAF Oc1ccc2cc1Oc1ccc(cc1)CCc1cccc(O)c1Oc1ccccc1CC2 238761143 IDWISGVDPGKJIL-UHFFFAOYSA-N 424.496 6.566 0 1 HKAF O[C@@H]1CN2CCC/C=C\C/C=C\CCC3=C[C@@H]4CN5CCCC/C=C\CC[C@@](C2)([C@@H]14)[C@@H]35 238773892 LJHXXWLMNPGGPA-CZHNLUASSA-N 422.657 5.103 0 1 HKAF CCCCCC[C@@H](O)CCCCCCCCCCC(=O)Cc1cc(O)cc(=O)o1 263614321 GSIGBTWKKXKRKO-HXUWFJFHSA-N 408.579 5.689 0 1 HKAF in-vitro Fc1ccc(-c2cnc([C@H]3Cc4c([nH]c5ccccc45)[C@H](C4CCCCC4)N3)[nH]2)nc1 473123470 LRAQARBHUPYRAD-GGAORHGYSA-N 415.516 5.601 0 1 HKAF CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cccc(Nc2cccc(C)c2)c1 584904881 RKDXQYHEHNCBQZ-UHFFFAOYSA-N 421.540 7.519 0 1 HKAF in-vitro CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(C(=O)OC)c(OC)cc4[nH]3)cc2)CC1 586880086 KVMVRBOONWOHAH-IYARVYRRSA-N 420.553 6.489 0 1 HKAF O=C(O)c1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cc1F 587012403 XLSYNWWRHLGJGW-UHFFFAOYSA-N 424.478 6.167 0 1 HKAF COc1cccc(-c2ccc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c(Cl)c2)c1 587051999 IWHRWGYRKGSFFV-UHFFFAOYSA-N 420.793 6.717 0 1 HKAF O=C(O)c1cccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 587068294 PHPKTQCUGLYXQU-UHFFFAOYSA-N 404.813 5.027 0 1 HKAF Oc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 587075800 KKQRXYHSZISRLI-DTQAZKPQSA-N 423.903 6.624 0 1 HKAF Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099718 UAQCEBDUPIYDGI-UHFFFAOYSA-N 405.541 7.336 0 1 HKAF FC(F)(F)c1cncc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 587115651 UOALDELENUABCU-UHFFFAOYSA-N 410.115 5.425 0 1 HKAF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(C3(F)CCCCC3)[nH]c12 587132167 LRLQNJZDAWEGIE-UHFFFAOYSA-N 423.385 6.102 0 1 HKAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 587160774 GRARBABRSINZFX-NWDGAFQWSA-N 415.184 5.634 0 1 HKAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 587245210 QIPFXSSEHKFABS-UHFFFAOYSA-N 401.253 5.009 0 1 HKAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cccc(C(F)(F)F)c2[nH]1 587258503 LQPYAROMFFMZFC-KRWDZBQOSA-N 412.415 5.154 0 1 HKAF CC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(F)ccc2O1 587330440 FDIZCENLWUGQRH-UPVQGACJSA-N 406.384 5.221 0 1 HKAF Cc1cc(C)n([C@@H]2CCC[C@@]3(C2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)n1 587343474 TYRAPLOSRHVYOT-NIDLKEISSA-N 420.484 5.258 0 1 HKAF COc1ccc(CC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587347001 DIKWRMUYZDFHFI-ILBGXUMGSA-N 406.453 5.290 0 1 HKAF Cc1ccc([C@@]2(C3CCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587357841 VRLBTYJRFLPXPW-AZGAKELHSA-N 402.465 5.894 0 1 HKAF COc1cccc(-c2cc(Cc3nc4ccccc4s3)nc3c2oc2ccccc23)c1 587365950 IWNYXVFUSHBBOP-UHFFFAOYSA-N 422.509 6.857 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCc3sc(Cl)cc32)[C@@H]1c1ccc(F)cc1 587371486 FAHNLMSSKONTHO-CTNGQTDRSA-N 400.858 5.447 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCSc3ccccc32)[C@H]1c1ccc(F)cc1 587372115 HPKPEIXGUOZAIM-LADGPHEKSA-N 406.478 5.672 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1nc3ccccc3[nH]1)(c1ccc(Cl)cc1)O2 587379383 UKUMJQBVHZIVCK-DEOSSOPVSA-N 417.896 5.210 0 1 HKAF COc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587419916 GAFZQWCPBNIFNJ-HYBUGGRVSA-N 406.865 5.048 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(C(C)(C)C)[nH]c4c(C)cc(Cl)cc14)[C@@H](C2)C3=O 587424170 XJFOSFVVVWNOQX-KSFYIVLOSA-N 409.913 5.925 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc3ccc(Br)cc3n1C)CC2=O 587459236 NKENSHZKOJIOEJ-FQEVSTJZSA-N 414.299 5.305 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 587486860 MUVSFNOYLOWMJU-WAQNLRHXSA-N 405.538 5.266 0 1 HKAF O=C1C[C@]2(C=C(c3ccccc3)Oc3ccc(F)cc32)Oc2c1ccc1c2CCCC1 587506747 LMVPUKRRRQXZFY-HHHXNRCGSA-N 412.460 5.999 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1C(F)(F)F 587549560 QWTNFVMNUNOZIA-XLIONFOSSA-N 404.315 5.253 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc2cccnc12 587552554 SHJIBJQZKUDSOC-XXBNENTESA-N 403.821 5.297 0 1 HKAF CCC1CCC(C2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)CC1 587605143 XSOUFDQWHAIBBL-WMHJFFNYSA-N 420.549 6.499 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccsc2)s1 587609749 DEHJCCUKGCTUMB-SIKLNZKXSA-N 406.484 5.885 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccs1 587611720 JKIODNSTRKMMEV-QPPBQGQZSA-N 400.455 5.359 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)ccc2Cl)N1 587690981 AQOCZRZDASTVCZ-JEOXALJRSA-N 410.758 6.163 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1 587694044 GBPRZKWLQBDUMI-DGIBIBHMSA-N 420.713 5.255 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)c(N)c(Cl)c2)N1 587694146 OJHGDVORBNFCBZ-QPFGOUBPSA-N 418.137 5.275 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(C(F)(F)F)c2)N1 587711934 JOKOANDZKOPRHJ-BMLIUANNSA-N 402.229 5.405 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2Nc2ccccc2)N1 587749713 QFBQSAKUKPZNCS-IBZMOEQTSA-N 403.339 5.372 0 1 HKAF Cc1ccc(-c2cnc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)c(C)c1 587772140 DOTGADFSJNPRDJ-ZUOKHONESA-N 415.306 5.484 0 1 HKAF CCOc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCC 587800378 GKOGELKPQZNXJF-BLVKFPJESA-N 408.311 5.009 0 1 HKAF Cc1c(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c(C)c1C=O 587819710 MRURJUDFVUVIFG-CHNSCGDPSA-N 404.323 5.258 0 1 HKAF Cc1oc2ccc(O)cc2c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587826648 FYGQWOQCJBSGRC-FVINQWEUSA-N 404.279 5.146 0 1 HKAF Cc1ccccc1[C@]1(c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 587848597 ONEXLPBODTVCRZ-SZNDQCEHSA-N 416.359 5.784 0 1 HKAF Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)sc2ccccc12 587851401 BRIIXGUAZUNQIH-GIPWTMENSA-N 404.348 5.909 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3cccs3)n2)N1 587852664 MQNULCGZRBQAAN-JEOXALJRSA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2c(F)cccc2s1 587855197 MAWUNTBBAFWLFL-UHFFFAOYSA-N 408.285 5.994 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CN[C@H](C)c1ccccc1 587858548 JSPBGMLCBVMYIP-CQSZACIVSA-N 418.324 5.247 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc(C)cc1 587858940 QCXLWBCXBHWJHV-CQSZACIVSA-N 419.308 5.672 0 1 HKAF COc1ccc(-c2ccc(-c3nc4c(C)cc(Br)cc4[nH]3)cc2)cc1OC 587925893 FEQRYJXTMMVCOH-UHFFFAOYSA-N 423.310 5.985 0 1 HKAF CC(C)=CCC/C(C)=C/c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587968581 SCAPJELTBWIVRM-YRNVUSSQSA-N 403.242 6.374 0 1 HKAF CCCN(c1cc2ccccc2cn1)c1nc(-c2ccc(OC)c(OC)c2)cs1 621430166 CNNVBIOSXJSWSC-UHFFFAOYSA-N 405.523 5.924 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1ccc(-n2ccnc2)cc1Cl 962376155 UMBSVDUNPZKYSI-QFIPXVFZSA-N 408.958 5.073 0 1 HKAF C[C@H]1Cc2cc(Br)ccc2[C@]12c1ccsc1CCN2Cc1ccco1 962701127 BOXBXFMJISURRA-QKKBWIMNSA-N 414.368 5.598 0 1 HKAF COc1cc2[nH]c(-c3ccc(-n4cc(F)c(F)c4)cc3)c(C)c(=O)c2cc1Cl 1772634538 HPLAQAPEJURQBS-UHFFFAOYSA-N 400.812 5.234 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C)C(C)C 2356487857 OQMZNAMGEHIHNN-UFJXMGPYSA-N 410.686 7.721 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1cccc(Cl)c1)Oc1ccc(F)cc1-3 2003449 OHLMRBMVXRKABN-XMMPIXPASA-N 405.900 7.235 0 1 HKAF CC(C)CCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(C(C)C)cc1 2482037 IGGPMRAHSRUOHM-UHFFFAOYSA-N 410.945 6.561 0 1 HKAF CO[C@H](C1CCCCC1)[C@@H](C)[C@@H](OCc1cccc(Br)c1)[C@@H](C)CO 13782998 DMJFQFIGRLPWIE-LRGYGIHKSA-N 413.396 5.194 0 1 HKAF CCC[C@H]1CCCCN1c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12 26182315 ZRWITNUYAJGLRV-KRWDZBQOSA-N 417.384 6.479 0 1 HKAF CCOC(=O)[C@@H]1[C@@H](c2ccc(-c3ccc(-c4ccccc4)n3C)cc2)C[C@@H]2CC[C@H]1N2 27527298 LXPFIHFWVCMHFG-NZCWTCFWSA-N 414.549 5.146 0 1 HKAF CCC[C@@]1(C2CCCC2)Cc2cc(OCCCC(=O)O)c(Cl)c(Cl)c2C1=O 27644340 UBTPINXXQAAVIZ-NRFANRHFSA-N 413.341 5.953 0 1 HKAF c1ccc(-c2ccc(CNCCCNCc3ccc(-c4ccccc4)cc3)cc2)cc1 28259859 XOYYGUGGKCXHGU-UHFFFAOYSA-N 406.573 6.290 0 1 HKAF C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 34326242 ARTLJRSXUMKHFS-JKMGWAAHSA-N 412.702 8.233 0 1 HKAF endogenous,in-man O=C(NC1CC1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 40379605 VTPKTMUCIXPGIJ-UHFFFAOYSA-N 406.700 5.392 0 1 HKAF O=c1ccc2cc(OCCCCCSC[C@@H]3CCCN4CCCC[C@H]34)ccc2o1 71295563 LARFNKKVRTVWOE-RBBKRZOGSA-N 415.599 5.340 0 1 HKAF CCC[C@H]1C(=O)NN=C(c2ccc3nc(-c4ccc(OC(C)C)cc4)oc3c2)[C@@H]1C 72318305 CUTLGQBQNFPIHY-DNVCBOLYSA-N 405.498 5.168 0 1 HKAF Cc1ccccc1-c1nc(NCc2ccccc2)ncc1-c1nc2ccccc2s1 82177604 OTIACGMAXHFXRQ-UHFFFAOYSA-N 408.530 6.341 0 1 HKAF CCCCC[C@@H](O)/C=C\CCCCC[C@H](CCc1ccccc1)[C@H](C(=O)O)[C@H](C)O 85505910 RNNFUQMZRJKOML-HXDHYDDOSA-N 418.618 5.765 0 1 HKAF biogenic,in-vitro Cc1ccc(N[C@H](c2ccco2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 103198399 NRPBXZWRSPGESQ-DEOSSOPVSA-N 419.417 7.050 0 1 HKAF O=C(Nc1ccc(F)c(-c2nc3cc(-c4ccccc4)cnc3[nH]2)c1)N1CCCC1 103271502 UWIHILLUGAWUQF-UHFFFAOYSA-N 401.445 5.059 0 1 HKAF C[C@@H](NCCc1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118932518 LFPKSAIPLRXRML-GPJXBBLFSA-N 421.669 6.147 0 1 HKAF C[C@H]1CCC2=C(C1)c1c(O)cc(CCCCCc3ccc(F)cc3)cc1OC2(C)C 169343247 KOENHMZHMDRCBK-SFHVURJKSA-N 408.557 7.231 0 1 HKAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccc(SC)cc2)cc1 169359810 VBCBQYQOZQQZBS-YCASYHCDSA-N 405.563 5.115 0 1 HKAF C=CC(=O)Nc1cccc([C@@H](C)Nc2cc(-c3ccc4occ(C)c4c3)nc(C)n2)c1 205332367 ZKQYRCNGNXMHTP-MRXNPFEDSA-N 412.493 5.804 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC=C5[C@@H](CCC(=O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 238769553 XUPCBKGIPJPDGW-AYGHZCOFSA-N 424.713 8.377 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC(=O)[C@H]1[C@]3(C)CC[C@H]2C(C)(C)CCC[C@]21C 257485979 MQILTVJSXIHHGW-WXJQEXDJSA-N 424.713 8.521 0 1 HKAF endogenous,in-man CC[C@H]1CC[C@H](C(=O)N(c2cc(Oc3ccccc3)ccc2C(=O)O)C(C)C)CC1 299845538 BCZNPWZTAILRKT-WGSAOQKQSA-N 409.526 6.135 0 1 HKAF CN1N=C2/C(=C/c3ccccc3)CN(CCc3ccccc3)C[C@@H]2[C@H]1c1ccccc1 299848332 CXUPFXWEVDCCDH-YZQOCSGXSA-N 407.561 5.287 0 1 HKAF C[C@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1)c1ccc(F)cc1 299877533 HLLLJGNVRALAQE-DRWCTHJISA-N 412.848 5.041 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2c1 586884450 IHKYQBNEJJJQJD-UGSOOPFHSA-N 407.233 5.716 0 1 HKAF CCCOc1cc2nc([C@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2cc1Br 586892938 YLEIOKOROYXJBM-BFUOFWGJSA-N 403.320 5.260 0 1 HKAF CC(C)Oc1cc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2cc1Br 586899103 SYORPJUELJWYPW-UHFFFAOYSA-N 423.310 6.152 0 1 HKAF Cc1cc(Cl)c(C)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1Cl 586994334 YHPRIRFZSSLDER-UHFFFAOYSA-N 418.323 7.345 0 1 HKAF OCCc1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 586997831 FAMZIQVQFVCJHF-JXMROGBWSA-N 409.283 5.291 0 1 HKAF Cc1cc2c(Br)ccc(-c3nc4ccnc(Br)c4[nH]3)c2o1 587004451 TUSZUXTVYJMFIE-UHFFFAOYSA-N 407.065 5.205 0 1 HKAF Clc1cccc(-c2nc(-c3nc4cc5c(cc4[nH]3)OCCO5)cs2)c1Cl 587014938 ANOHKXVBBHFPTI-UHFFFAOYSA-N 404.278 5.431 0 1 HKAF Clc1cccc(COc2ccc(-c3nc4c(Cl)ncc(Cl)c4[nH]3)cc2)c1 587068851 ATJMKBHQNYHLIC-UHFFFAOYSA-N 404.684 6.164 0 1 HKAF OCCc1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587069604 FPLVUOJRJRLKPD-YRNVUSSQSA-N 404.897 5.501 0 1 HKAF Cc1c(Cl)ccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c12 587081543 PWFCVOSTFSXIRK-UHFFFAOYSA-N 420.299 6.766 0 1 HKAF CC(C)(C)OC(=O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587108318 ZKEGCTMDQIAIFE-UHFFFAOYSA-N 407.469 6.069 0 1 HKAF CCOC(=O)c1ccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2c1 587140631 FCCPFCIQNOLWJF-UHFFFAOYSA-N 424.472 5.977 0 1 HKAF COc1ccc(C(=O)c2ccccc2-c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1F 587144487 MQWNPJYQCCBWSP-UHFFFAOYSA-N 416.239 5.310 0 1 HKAF CCCc1nc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)nn1-c1ccccc1F 587155268 CSUNOGZVQIWBHJ-UHFFFAOYSA-N 407.346 5.060 0 1 HKAF Cc1cnc2[nH]c([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 587199786 OMWKEZZPBXLFAB-INIZCTEOSA-N 412.493 5.208 0 1 HKAF N[C@@H](Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1cccc2ccccc12 587259474 SCNVVZIFMGRPRR-AWEZNQCLSA-N 406.358 5.008 0 1 HKAF CC[C@]1(c2cccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331249 IXVIFDSOSQTBTK-NZQKXSOJSA-N 414.835 5.988 0 1 HKAF CC[C@]1(c2ccc(N(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338614 QRFKOWGKQXWUSS-ILBGXUMGSA-N 405.469 5.262 0 1 HKAF CCC[C@H](C(=O)OCC)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587361894 DXOIQDVQWUXJMS-SFHVURJKSA-N 403.478 6.103 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(C1(Br)CCCC1)O2 587375491 DBESSSPFMCZASC-OAQYLSRUSA-N 400.316 5.146 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](OC(C)C)c1ccccc1)[C@@H](C2)C3=O 587440046 NSFOCGIZANPYDX-CAVYSCNFSA-N 414.501 5.504 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(C)C)c(Br)c1)CC2=O 587455579 DFUKNCJFNLJSPP-FQEVSTJZSA-N 419.315 5.601 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(Cl)cc3Cl)o1)CC2=O 587463537 YIAOAUQPFHMFAN-NRFANRHFSA-N 417.288 6.618 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3ccccc3)c1)CC2=O 587477012 DHFBYCMUELTNSV-VWLOTQADSA-N 418.489 5.639 0 1 HKAF Cn1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc2cc(C(F)(F)F)ccc21 587504072 FBIFXHOZOSTJRQ-IBGZPJMESA-N 400.400 5.177 0 1 HKAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccnn1C(C)C 587517897 WUGPKVJFQZMKPU-HSZRJFAPSA-N 403.526 5.457 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1ccccc1Cl)CC2 587549949 UBYSHTCHTAYWMQ-OAQYLSRUSA-N 421.880 5.046 0 1 HKAF C[C@]1(c2ccc(F)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551300 ZKYJHQMPPJIKRI-WIYYLYMNSA-N 418.342 5.427 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CSC(F)F)o1 587557408 RLXGUEFIAGZRLJ-QFBILLFUSA-N 404.390 5.144 0 1 HKAF C[C@]1(c2ccccc2CCCCF)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587559169 ZGCJFMISIPKTGQ-WIOPSUGQSA-N 406.453 5.561 0 1 HKAF Cc1cccnc1NC(=O)c1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626022 OYKPDVHFROMFCO-UHFFFAOYSA-N 401.310 5.470 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2c1 587639803 CVSQGKRLUISEQM-LLVKDONJSA-N 408.851 6.914 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)cc2)N1 587678392 JUZSCMWHAQQPJN-BMLIUANNSA-N 413.128 5.148 0 1 HKAF Cc1cccc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc12 587707141 UGSGZDQOXDKHTP-JEOXALJRSA-N 419.725 5.722 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(F)cc2)N1 587729762 DGCDTKKEPUEEHF-FPTDNZKUSA-N 414.293 5.553 0 1 HKAF COc1ccc2cc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 587807119 JUZJFHLCKDOTOY-XMHCIUCPSA-N 414.318 5.548 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2)(c2ccccc2)N1 587815645 OALXYRPSMHHNQA-KDBSYOKJSA-N 422.341 6.079 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)CCC(C)(C)O3)N1 587830868 GHDLORKESFSIAF-MPBGBICISA-N 404.323 5.315 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(Br)cn1 587855879 KLFPSBSQPGSLRO-UHFFFAOYSA-N 413.102 5.402 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncnc2c(C)csc12 587860806 DQKDVHCMNFXAEW-UHFFFAOYSA-N 405.310 5.558 0 1 HKAF CCCCc1ccc(-n2c(O)cc(-c3ccccc3Cl)c2O)c(Br)c1 587937228 OTLSLPDDJJMEJF-UHFFFAOYSA-N 420.734 6.314 0 1 HKAF Oc1nc(NCc2ccccc2)c2nc(Cc3ccccc3Oc3ccccc3)nc-2[nH]1 587949468 HOAUFWSWWVDSFH-UHFFFAOYSA-N 423.476 5.005 0 1 HKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc(I)cc2[nH]1 587951806 SAUFFCLJUOOLSE-LBPRGKRZSA-N 414.246 5.461 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc2c1 587955963 MQBCOMNWQSZQCC-QGZVFWFLSA-N 400.831 6.610 0 1 HKAF c1ccc(-c2ccc3c(c2)CCN[C@]3(c2ccccc2)[C@@H]2N[C@@H]2c2ccccc2)cc1 962673255 YDBVYLXTDOTIBZ-NLDZOOGBSA-N 402.541 5.456 0 1 HKAF COc1ccccc1[C@@]1(CCc2cc(C)ccc2C)NCCc2c1c(C(C)C)nn2C 962915987 ILVFMAMFMGVGAL-HHHXNRCGSA-N 417.597 5.191 0 1 HKAF CC(C)[C@@H](c1ccccc1)[C@@]1(C)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962951227 FRLYASOZRGUULX-GOTSBHOMSA-N 417.515 6.012 0 1 HKAF Cc1cc(C)c2cc([C@H]3N[C@H](C(=O)O)Cc4ccc(Cl)c(C(F)(F)F)c43)[nH]c2c1 963179509 LYGWWWGGWKCLOB-QFBILLFUSA-N 422.834 5.145 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@]21C[C@H](C)CCc2ccc(Br)cc21 963259157 RSJAAASFKAHIEE-LRTDBIEQSA-N 420.778 5.473 0 1 HKAF COc1cccc([C@@H]2CCCC[C@]23c2cccc(Br)c2CCN3C)c1 963269989 NDYWPDGFZYUAAQ-SIKLNZKXSA-N 400.360 5.499 0 1 HKAF CC[C@@H](C)Oc1ccc2c(c1Cl)CCN(Cc1ccc([C@@H](C)NC(C)=O)cc1)C2 1772601488 MGJFQPQBPFHKFC-IAGOWNOFSA-N 414.977 5.273 0 1 HKAF O[C@H](c1cc([C@H]2CC3CCC2CC3)nc2c(Cl)c(Cl)ccc12)[C@H]1CCCCN1 1857570335 XEULTWOBQMQZND-FLZDGCQHSA-N 419.396 6.011 0 1 HKAF CC(C)CC[C@@H](O)[C@](C)(O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857626825 MPYAIDWTDSTPEU-RLVPCMIZSA-N 420.678 5.554 0 1 HKAF CN[C@H]1CC[C@]23C[C@@]24CC[C@]2(C)[C@H]5[C@H](C)N(C)CO[C@@H]5C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C 2356425180 IBBJBVLTEQHUQV-DSJDITKGSA-N 414.678 5.300 0 1 HKAF CC(C)CC[C@H](O)[C@](C)(O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356524540 ISBSSBGEYIBVTO-PERCSONFSA-N 418.662 5.474 0 1 HKAF CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl 4207470 XMJUWLUFBVQBQO-IEBWSBKVSA-N 409.288 5.141 0 1 HKAF CCc1ccc(CNC(=O)c2ccc3c(c2)N=C(C)c2cc(C)ccc2S3)cc1 6728546 WAOGLQOELXJNFC-UHFFFAOYSA-N 400.547 6.093 0 1 HKAF aggregator C=Cc1ccc2c(c1)[C@@H]1CC(C)=C[C@@H](c3cc(CCN(C)C)ccc3O)[C@H]1C(C)(C)O2 14556116 SBXAMKRXWQKDBV-NLJOTIRTSA-N 417.593 6.144 0 1 HKAF biogenic CCO[P@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCN(C)C1=O 26280848 ATFHUMWBHXCKKS-HHHXNRCGSA-N 415.455 5.060 0 1 HKAF COc1ccc(C[C@H]2CN3C(=NC[C@H]3C3CCCCC3)N2CC2CCC(C)CC2)cc1 27204769 OPNCBMYHRCYEGA-WVXCJSOBSA-N 423.645 5.369 0 1 HKAF C[C@]12CC(=O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2SCCc1ccccc1 27986421 IFVPIDGDWGJNFB-TXXALCBUSA-N 420.618 5.818 0 1 HKAF O=C1OC[C@H]2[C@@H]1Cc1cccc(F)c1[C@@H]2/C=C/c1ccc(-c2cccc(Cl)c2)cn1 28823211 LEWQRFRNQUZBHZ-WFAGITPTSA-N 419.883 5.683 0 1 HKAF CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H](Cc1ccccc1)OS(=O)(=O)O 29571990 LGASRMMEBZXNCQ-VVSUKSJXSA-N 406.588 5.606 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 34382845 CMDFMNRXDJEXBA-DCBZVONASA-N 400.691 7.923 0 1 HKAF biogenic CCCn1c2ccc(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O 34804136 REGFBRAZHSRJFN-UHFFFAOYSA-N 404.853 5.114 0 1 HKAF O=C(Nc1ccc(-c2ncccc2C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 38156660 FPKZLONASYLHRJ-UHFFFAOYSA-N 410.317 6.039 0 1 HKAF O=S(=O)(Nc1ccc2c(c1)ncn2Cc1ccccc1)c1ccc2ccccc2c1 40848459 YMOQYLYGTHUWAV-UHFFFAOYSA-N 413.502 5.039 0 1 HKAF Cc1ccc2c(Cc3nn4c(CO)c(-c5ccc(Cl)cc5)nc4s3)coc2c1 40939793 QHQJRIIFSVKOFT-UHFFFAOYSA-N 409.898 5.249 0 1 HKAF Cc1cc(F)ccc1[C@H](Nc1ccc(Cl)cc1Cl)C(=O)CCc1ccncc1 52595151 MOFJKCQTXASYEE-QFIPXVFZSA-N 417.311 6.191 0 1 HKAF Clc1ccc(OCc2ccccc2-c2nnc(SCc3ccccc3)o2)cc1 64447304 DKCNMWWCBDTDRL-UHFFFAOYSA-N 408.910 6.261 0 1 HKAF C[C@]1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccc(Cl)cc2)C1=O 72105549 RBIWLKASEDRUNU-JOCHJYFZSA-N 408.841 5.353 0 1 HKAF Oc1cccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)c1 84668408 AKXJCYPYNHMHEQ-WYMJOSIYSA-N 402.582 5.473 0 1 HKAF OC1=NC(=S)S/C1=C\C=C\c1ccccc1OCc1ccccc1C(F)(F)F 96906485 PZXCMMVSPKFNTM-GZZPHGLASA-N 421.465 6.170 0 1 HKAF CCOC(=O)c1cn(CC)c2ccc(F)cc2/c1=N/c1ccc(-c2ccccc2)cc1 96909079 YFTCMDJBKZMFGT-FVDSYPCUSA-N 414.480 5.876 0 1 HKAF O[C@]1(c2cccc(Cl)c2Cl)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12 101185374 GMEKBIQFYDAEOK-BRLLKYFNSA-N 402.321 5.754 0 1 HKAF O=C(NC(=O)c1c(Cl)cccc1Cl)OCc1ccc(-c2cccc(F)c2)o1 103213975 ABAHDRNQHUTLAI-UHFFFAOYSA-N 408.212 5.459 0 1 HKAF O=C(Nc1ccc(F)c(-c2nc3ncc(-c4ccc(F)cc4)cc3o2)c1)c1ccco1 103260150 FQGCVDQTEHSKBO-UHFFFAOYSA-N 417.371 5.680 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccc(O)cc2)C[C@H](c2ccccc2Cl)C1 103921261 DRTBHCPUZFTMKQ-IVCQMTBJSA-N 416.908 6.675 0 1 HKAF CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(Cl)ccc1OC1CC1 114892151 MMCFMEPPWLMNNA-ATJXCDBQSA-N 406.979 5.439 0 1 HKAF Cc1c(-c2cn(CC(C)(C)C)c(=O)c3ccccc23)c2cc(F)ccc2n1CC(=O)O 117015734 PQDMDOPPJQYUJM-UHFFFAOYSA-N 420.484 5.201 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 137431404 XCQNGBGTCUKMDI-MIPGKGNCSA-N 416.646 5.250 0 1 HKAF Cc1cccc(-c2nc3cccnn3c2-c2ccnc(NC(=O)c3ccccc3)c2)c1 147038308 ZCDMUCUWIVFZMM-UHFFFAOYSA-N 405.461 5.019 0 1 HKAF Cc1ccc(C(=O)Nc2ccc(O[C@@H](CCN(C)C)c3ccccc3)cc2)cc1Cl 169345074 FDLYZRZFIQWFJX-DEOSSOPVSA-N 422.956 5.973 0 1 HKAF Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCCCCCCO)c3)o2)cc1 169353052 PAXJCSDWXBKSTK-UHFFFAOYSA-N 421.541 5.764 0 1 HKAF COc1cc(-c2cc(=O)c3c(O)cc(O)c(/C=C(\C)CCC=C(C)C)c3o2)ccc1O 238755573 GSKCCTCCRCROKT-XNTDXEJSSA-N 422.477 5.735 0 1 HKAF Oc1c(-c2ccccc2)cccc1-c1nc2ccc(I)cc2[nH]1 586896161 IOGPWWJEQTVODV-UHFFFAOYSA-N 412.230 5.207 0 1 HKAF Clc1cc(Cl)c(Br)c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1 586976047 SLFUCSYDWOEKCK-UHFFFAOYSA-N 411.901 6.001 0 1 HKAF FC(F)(F)c1cc2nc(-c3cc(Br)ccc3Cl)[nH]c2cc1Cl 586979779 BAAYCRRGGJQBJQ-UHFFFAOYSA-N 410.020 6.318 0 1 HKAF COc1ccccc1C[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990889 HMVAOLGEMULWMV-MRXNPFEDSA-N 407.469 5.433 0 1 HKAF CC(C)(C)Sc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586994601 YGPHLCLPXDFZRW-UHFFFAOYSA-N 411.526 6.709 0 1 HKAF Clc1ccc(Cl)c(-c2ccc(-c3nc4nccc(Br)c4[nH]3)o2)c1 587050433 KJVQSVVSXXBXNX-UHFFFAOYSA-N 409.070 5.954 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587068687 BRDNXRQYGUXNCM-CKRBCLJCSA-N 408.720 5.043 0 1 HKAF FC(F)(F)c1cccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c12 587081980 BEKCZGLMRUDDKB-UHFFFAOYSA-N 423.825 7.117 0 1 HKAF COc1ccc(-c2nc3cccc4c3c(c2[C@H](C)C(=O)O)-c2ccccc2C4=O)cc1 587107476 TZDXJADDOWQATM-AWEZNQCLSA-N 409.441 5.310 0 1 HKAF FC(F)(F)c1ccc(Oc2ccc(-c3nc4c(Cl)cc(Cl)cc4[nH]3)cc2)cc1 587114206 QJLWMXOZIXHLJE-UHFFFAOYSA-N 423.221 7.348 0 1 HKAF COc1cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2cc1Cl 587141461 UEEYHLDGQBGKMU-UHFFFAOYSA-N 416.880 6.462 0 1 HKAF Fc1ccc(-c2cn3c(Cc4nc5cc(Cl)c(F)c(F)c5[nH]4)csc3n2)cc1 587166119 MUCRZCRCSYOHHM-UHFFFAOYSA-N 418.831 5.601 0 1 HKAF FC(F)(F)c1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2cc1Cl 587193315 YLARVOSKNJCXKI-UHFFFAOYSA-N 415.846 6.442 0 1 HKAF C[C@]1(c2ccc(F)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337118 RCEQAGOPUGSONA-AZGAKELHSA-N 416.423 6.098 0 1 HKAF COc1cccc(-c2c(C)c(-c3ccc(Cl)s3)nc3c2oc2ccccc23)c1 587366010 PYVFMKIOLCRDRG-UHFFFAOYSA-N 405.906 7.347 0 1 HKAF Cc1ccc([C@@]2(c3ccc(Br)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587370509 FPKHWFLCDQNXBW-HSZRJFAPSA-N 422.322 5.557 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O 587446382 VZXDPIBNGIIMBY-SVEHJYQDSA-N 418.492 6.053 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)c3cccnc13)CC2=O 587458084 FZSQVYWTLDZTSR-LJQANCHMSA-N 412.283 5.362 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(Cl)c(C)cc1O)CC2=O 587461583 RORGZFDZHFPABZ-RUZDIDTESA-N 422.908 5.921 0 1 HKAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1Br 587498497 HSTDOOYWRALYSG-QGZVFWFLSA-N 417.299 5.052 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587502587 DAXLBJFCTSKFLZ-AREMUKBSSA-N 402.921 6.436 0 1 HKAF C[C@@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538435 DVMGHSIFKRZUKD-NQIIRXRSSA-N 411.251 5.032 0 1 HKAF C[C@@]1(c2ccc(C(F)(F)F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550089 SRZIZIVSVCGLDC-NQIIRXRSSA-N 418.342 5.427 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ncc1C(F)(F)F 587554827 JNZQIIGNCSZTSN-VQIMIIECSA-N 421.758 5.162 0 1 HKAF CCCOc1c(C)cc(C)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593111 CESOBFFVVACQAA-SQJMNOBHSA-N 404.462 5.501 0 1 HKAF Cc1c(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c(C)c1C=O 587604616 XKVGTWPVVSVANY-WIOPSUGQSA-N 402.446 5.141 0 1 HKAF Cc1oc(-c2cccs2)nc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611744 JMSXEKRNSFPMLU-UWJYYQICSA-N 405.431 5.120 0 1 HKAF FC(F)(F)c1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622113 XRGGBKZKFNFPKW-UHFFFAOYSA-N 414.612 6.146 0 1 HKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc2c(F)cc(F)cc2s1 587657865 CFPBETBKJGPKMJ-UHFFFAOYSA-N 409.392 5.080 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2cccs2)(C(F)(F)F)N1 587707532 VERCSMJXNHINDC-FDVFQBHSSA-N 420.269 5.655 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ncccc3F)o2)N1 587726062 HPFWTYDCJSDRPU-APBUJDDRSA-N 405.242 5.006 0 1 HKAF Fc1cnc(Br)c2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc12 587783760 GVRHOCDAXOFPQE-DHZHZOJOSA-N 424.273 5.609 0 1 HKAF CCCOc1cc2c(cc1[C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)CCC2 587789540 CMQCVDIZEKAOCV-MCMMXHMISA-N 418.350 5.489 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3c2ccc2ccccc23)N1 587802557 MXXHDUNIGJUVQU-VERVWZFWSA-N 409.302 5.846 0 1 HKAF CCCCCCc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587814935 JGBQJPMRTOGUCX-MWTRTKDXSA-N 418.394 6.509 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C2(O)CCCCC2)N1 587821271 GYDUQKVZDNSPEK-QRQCRPRQSA-N 418.350 5.061 0 1 HKAF Cc1cc(C)c2c(c1)[C@]1(CCCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587836134 RSFUPRMRVPNFHS-SPLOXXLWSA-N 404.323 5.155 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2sc(C(C)(C)C)cc2N)N1 587842435 DVRBKGKRPZCCOX-DGIBIBHMSA-N 411.384 5.327 0 1 HKAF CC(C)CSc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587848817 YDPDFZGEYGBEFI-RNODOKPDSA-N 408.380 5.960 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccs2)N1 587854271 SLVSFHCYKUFZGS-ZUOKHONESA-N 402.332 5.476 0 1 HKAF Brc1cc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2cc1Br 587958235 CRLNUZWOUSEAAA-RYUDHWBXSA-N 406.121 5.434 0 1 HKAF CC/C(=C/c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1)c1ccc(C)cc1 587965531 BNJPWCVCYLTBIV-SDXDJHTJSA-N 412.489 6.401 0 1 HKAF C/C(=C\Cc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1O)CCCC(C)(C)O 653808448 UZEPARULDWXBHO-GIDUJCDVSA-N 424.493 5.007 0 1 HKAF FC(F)(F)c1ccc([C@H]2CC(c3ccc4c(c3)OCCO4)=NN2c2ccccc2)cc1 653905716 BYYHGRDJZQAFDJ-OAQYLSRUSA-N 424.422 5.832 0 1 HKAF Cc1ccc(C(C)C)c2c1[C@@]1(CCO2)c2cccc(F)c2CCN1[C@H]1CCSC1 962699398 HOYAELHPGVWOLW-AVRWGWEMSA-N 411.586 5.647 0 1 HKAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@@H]2c1cccc(-c2ccncc2)c1 962951096 GIDYBDQVVOVBRK-HSZRJFAPSA-N 424.466 5.508 0 1 HKAF Clc1ccccc1[C@@]1(c2ccccn2)c2ccsc2CCN1Cc1cccnc1 962998039 NTEKAXPYUQVMOD-DEOSSOPVSA-N 417.965 5.542 0 1 HKAF COc1cccc2cc3c(nc12)[C@@](C)(c1sc(-c2ccc(C)cc2)nc1C)NCC3 963056160 LEIQPXPVJQTTJL-VWLOTQADSA-N 415.562 5.393 0 1 HKAF CC(=O)OC1=C(c2cccc3ncccc23)Oc2cc3ccccc3cc2-n2cccc21 1857546162 HVSMPYIXZQQOJE-UHFFFAOYSA-N 418.452 5.960 0 1 HKAF Cc1onc(-c2ccccc2)c1-c1ccc2c(c1)N(C1CCCC1)[C@H](C)C(=O)N2C 1857564958 JZSYDRSRCXEFRF-MRXNPFEDSA-N 401.510 5.431 0 1 HKAF CC=C(C)C(=O)O[C@](C)(CC1CCCCC1)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 2356315749 JDNYBHFWAQXRBT-WIOPSUGQSA-N 410.510 5.335 0 1 HKAF C[C@@H](CCC[C@@H](C)C(=O)O)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 2356345656 WWAMLGNSINNDPI-UGNFQIECSA-N 416.646 6.453 0 1 HKAF C(=C1c2ccccc2[C@@H]2[C@@H]1O[C@@H]1C(=Cc3ccccc3)c3ccccc3[C@H]12)c1ccccc1 2356384937 QTCLDESTKURNLW-GASGPIRDSA-N 424.543 7.430 0 1 HKAF CC=C(CC[C@@H](C)[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1)C(C)C 2356615453 GZZSNPZMOGPILP-IDHMRNEVSA-N 412.702 7.945 0 1 HKAF CC(C)[C@@H]1CC[C@H]2[C@]3(C)CC=C4C(=CC[C@]5(C)CCC(C)(C)C[C@@H]45)[C@@]3(C)CC[C@]12C 2356625535 PKSBIHVTQFFWSW-RQLGNUFVSA-N 408.714 8.974 0 1 HKAF COc1ccc2c(c1)[C@H]([C@H](Nc1ccc(C)cc1)c1ccc(Cl)cc1)C(=O)N2C 206048902 PBTUFFOCWZAJHP-DHIUTWEWSA-N 406.913 5.570 0 3 HKAF CCN(CCCCCC(=O)c1ccc(N2CCCC2)cc1)Cc1ccccc1OC 3785311 GGFUMRNRAPYKQU-UHFFFAOYSA-N 408.586 5.561 0 1 HKAF CC[C@H](CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 13551223 KZJWDPNRJALLNS-GCVKXYGLSA-N 414.718 8.025 0 1 HKAF CCCCCN(C)Cc1ccc(COC(=O)[C@@H](c2ccccc2)C2CCCCC2)o1 13602043 PYQOPHGZBOOZQV-VWLOTQADSA-N 411.586 6.309 0 1 HKAF O=C(O)c1ccc2c(c1)[C@H](SCCc1nc3ccccc3[nH]1)c1ccccc1CO2 13727045 WJUMLQBIJXGXOC-HSZRJFAPSA-N 416.502 5.219 0 1 HKAF COc1c(CC=C(C)C)c2c(c3occ(-c4ccc(O)cc4)c(=O)c13)C=CC(C)(C)O2 14618654 OUZCFMSJGDEXRT-UHFFFAOYSA-N 418.489 5.867 0 1 HKAF biogenic,in-vitro CC1(C)C=Cc2cc(-c3coc4cc5c(c(O)c4c3=O)C=CC(C)(C)O5)c(O)cc2O1 14825190 KFPMUQSSOONJHJ-UHFFFAOYSA-N 418.445 5.240 0 1 HKAF biogenic,in-vitro C[C@]12Cc3cn4c(nc3C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12)nc1ccccc14 27204805 GIQHGRUKLUVHHK-UQMWKALWSA-N 415.581 5.201 0 1 HKAF O=C(O)CCC/C=C\C[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1/C=C/[C@@H](O)CCc1ccc(Cl)cc1 27556551 OWLWEPFVFFUXLA-PWPPBJPASA-N 414.973 5.829 0 1 HKAF C[C@H](C(=O)OC/C=C/c1ccccc1)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27559649 XWEWIPKKCFHQRD-APQFLLSNSA-N 420.574 6.142 0 1 HKAF CC(C)(Cc1ccccc1)[C@@H]1OC[C@H](C/C=C\CCC(=O)O)[C@@H](c2cccnc2)O1 27759391 XYUJBPXTBCBGMX-OWDLLGRASA-N 409.526 5.192 0 1 HKAF COc1cccc(OC)c1OCCNC[C@H]1Cc2ccccc2[C@H](c2ccccc2)C1 29392942 BJGAWQMDTQOSCU-RDPSFJRHSA-N 417.549 5.067 0 1 HKAF CCOC(=O)c1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1Nc1ccccc1 40848098 UGTFSBUCXKPSMC-UHFFFAOYSA-N 412.464 6.475 0 1 HKAF CN(C)C12CCNC([C@@H](c3cccc4ccccc34)C1)[C@@H](c1cccc3ccccc13)C2 40938311 ITBUBVSCPRMUAT-FSOBKABBSA-N 420.600 6.317 0 1 HKAF Cc1c(-c2cn(C3CC3)cn2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1 45321659 FDHQWYGWTUHXMT-UHFFFAOYSA-N 409.320 6.353 0 1 HKAF in-vitro Cc1cccc(C)c1-c1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2 64549131 KQRHCJXCCFJNQW-DEOSSOPVSA-N 414.618 5.966 0 1 HKAF CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C 66112458 UFOMWAWIEKKLJS-KBVVDYDXSA-N 414.678 5.021 0 1 HKAF Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 73142345 XRRCRIQWBWQWDY-UHFFFAOYSA-N 422.406 5.477 0 1 HKAF Cc1nc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccccc2F)oc1C 82175924 RFKOJNGFNJXZPU-UHFFFAOYSA-N 406.436 5.348 0 1 HKAF CCCCCn1c(-c2ccc(OC)cc2)nc2c(NCc3ccccc3C)ncnc21 82180117 MCMOFDFDJSHOKD-UHFFFAOYSA-N 415.541 5.613 0 1 HKAF CCCCCNC(=O)[C@@H](Nc1nc(-c2ccc(CCC)cc2)cs1)[C@@H](C)CC 82195245 IKHWRIXFTXMMJH-UWJYYQICSA-N 401.620 5.896 0 1 HKAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NC3CCCC3)nc2-c2ccc(F)cc2)C1 82214940 DACUOGHOLBNXMW-SJORKVTESA-N 410.537 5.288 0 1 HKAF Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)OCC[C@@H](C(=O)O)C3)c1 84616064 LPTAIEHCYZVDKZ-JOCHJYFZSA-N 402.490 5.575 0 1 HKAF CCOP(=O)(OCC)[C@@H](Cc1ccc(F)cc1)c1sc2ccccc2c1C 84618894 JUDDQMDPLTZDIH-IBGZPJMESA-N 406.459 6.899 0 1 HKAF O=C(NCc1cccs1)c1nn(Cc2cccc(C(F)(F)F)c2)c2ccccc12 95564481 QWCISSBITHUYGR-UHFFFAOYSA-N 415.440 5.095 0 1 HKAF CCOC(=O)[C@@H]1[C@@H](c2ccc(-c3ccc(-c4ccccc4)n3C)cc2)C[C@H]2CC[C@H]1N2 100875854 LXPFIHFWVCMHFG-ICLZECGLSA-N 414.549 5.146 0 1 HKAF Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@H]1CC(c1ncccn1)C2 101273443 GTTLNEWKHRVGCY-ROUUACIJSA-N 424.375 6.283 0 1 HKAF Cc1cc(N)c2cc(NC(=O)c3ccc(-c4cnc5ccccc5c4)cc3)ccc2n1 103236380 ANFMYRKZJHLOSU-UHFFFAOYSA-N 404.473 5.593 0 1 HKAF CCCOc1ccc(C(=O)OC)cc1NC/C=C(\C)CC/C=C(\C)CCC=C(C)C 103299733 CIWQLBPPZYFWIH-PMPJFHHKSA-N 413.602 7.093 0 1 HKAF O=C1CC[C@H](c2ccccc2-c2ccccc2)N1Cc1ccc(OC(F)(F)F)cc1 167354131 ZYTUXSQJQSTHAA-JOCHJYFZSA-N 411.423 6.116 0 1 HKAF CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCN(C(=O)CN)C=C21 169319668 FUOPUFUPGVAHIK-FUHIMQAGSA-N 414.590 5.031 0 1 HKAF CCCC[C@H](CC)OC(=O)[C@@H]1CCC[C@@H](NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 169728067 DHMWTPQCLPNDHA-WJRMMLAISA-N 418.622 5.325 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=C[C@@H]3O 255261942 QZTNWQQTEVRSMC-DIZUDLDXSA-N 416.690 6.606 0 1 HKAF C[C@@H]1N=C2C[C@H](c3ccccc3)CC(O)=C2[C@H](c2ccc(Br)cc2)[C@H]1C#N 299878883 JXDCNOOJZZUDON-JLHDJQRBSA-N 421.338 5.905 0 1 HKAF CC[C@H](/C=C/[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 525915176 HCXVJBMSMIARIN-OIMWMVOWSA-N 412.702 7.801 0 1 HKAF biogenic O=S(=O)(Cc1ccccc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccccc1 586922189 RGOUJGWNEIDVPT-UHFFFAOYSA-N 418.852 5.135 0 1 HKAF Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c(C)c1C 586950687 KVUUZWTVGGDFIV-UHFFFAOYSA-N 419.550 5.573 0 1 HKAF Fc1cc2[nH]c(COc3ccc4ccccc4c3Br)nc2cc1Cl 587002249 VOKCZYRQYCQGPY-UHFFFAOYSA-N 405.654 5.850 0 1 HKAF CN(C)C(=O)c1ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c1 587015279 JWWFCNAQGMCBAI-UHFFFAOYSA-N 417.321 5.362 0 1 HKAF O=C(Nc1sc2c(c1-c1nc3cc(O)ccc3[nH]1)CCC2)c1ccccc1Cl 587030488 FPIFUKQQPPFJRO-UHFFFAOYSA-N 409.898 5.391 0 1 HKAF CCOC(=O)c1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1 587049645 CWODFKQBIJHTCL-UHFFFAOYSA-N 401.249 5.973 0 1 HKAF FC(F)(F)c1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Cl 587050082 OMSBSFNPMBWLPZ-SFYZADRCSA-N 405.634 6.813 0 1 HKAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587081146 WIPKOIWYPGTTEY-HXUWFJFHSA-N 416.912 5.519 0 1 HKAF COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1OC(C)=O 587098434 ROVWZHALNBHTKR-UHFFFAOYSA-N 409.441 5.356 0 1 HKAF Cc1ccc2c3c(cc(/C=C/[C@@H]4C(C)(C)CC[C@H]5O[C@@]54C)nc13)-c1ccccc1C2=O 587102045 LYGYQOVJLBICAU-GUGMRPJKSA-N 409.529 6.362 0 1 HKAF CCOc1cc(/C=C\c2nc3ccc(Br)c(C)c3[nH]2)ccc1OC(F)F 587130017 IYQSZXRKMMUHLC-UITAMQMPSA-N 423.257 5.804 0 1 HKAF Fc1c(F)c(F)c(/C=C/c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(F)c1F 587133735 AZBTZXAYMVWRRU-VQHVLOKHSA-N 418.390 6.580 0 1 HKAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(Br)cc(F)c2[nH]1 587201510 PNYCSJHDCGLBDI-UHFFFAOYSA-N 414.319 5.045 0 1 HKAF O=C1c2ccc(O)cc2OC2(c3ccsc3-c3sccc32)[C@@H]1c1ccc(F)cc1 587370432 BGHGLISYNAJNJL-LJQANCHMSA-N 420.486 5.937 0 1 HKAF COc1cc2c3c(c1)O[C@@]1(CC[C@@H]1c1ccccc1OCc1ccccc1)[C@@H](C2)C3=O 587444380 SSCJYWLIOWSSLO-UMTXDNHDSA-N 412.485 5.338 0 1 HKAF CCc1cc(CC)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(CC)c1 587604400 WGSROJCJKMCTGB-JYFHCDHNSA-N 402.490 5.782 0 1 HKAF COC(=O)C(=O)c1c(-c2c(Cl)ccc(F)c2Cl)[nH]c2cc(Cl)c(F)cc12 587629046 DIPMIDSLEJYCKM-UHFFFAOYSA-N 418.610 5.429 0 1 HKAF CCOC(=O)c1c(-c2cc(F)ccc2Br)[nH]c2ccc(F)c(Cl)c12 587629383 NHNZSOFQNKBCGU-UHFFFAOYSA-N 414.633 5.706 0 1 HKAF CCOC(=O)c1c(-c2ccc(Br)cc2F)[nH]c2cc(Cl)c(F)cc12 587629407 OKFDHNDCTUUSBU-UHFFFAOYSA-N 414.633 5.706 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)[nH]c3ccc(Cl)cc23)N1 587703237 XNHUULRLKIFGKG-RBHXEPJQSA-N 409.686 5.052 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(C(F)(F)F)c2)N1 587711280 JMIKMPLGGHIFQJ-VPTHRUTESA-N 406.192 5.370 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F 587719872 RNMBIDTWIMVWII-BTDLBPIBSA-N 400.238 5.122 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SC(F)(F)F)cc2)N1 587722988 UPCBBQPVQMBENP-ABKXIKBNSA-N 420.269 5.824 0 1 HKAF CCCc1ccc(OCC)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587801571 LTGRIUIGVVXWNH-YEJXKQKISA-N 406.339 5.563 0 1 HKAF CCOc1ccc2ccccc2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587801689 MZQRNORKBYYYGG-DMZKTXOQSA-N 414.318 5.764 0 1 HKAF CO[C@@H]1C[C@H](c2ccccc2)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587812384 QIXNMZHAAGIJED-YKEWJHLTSA-N 418.350 5.300 0 1 HKAF Cc1ccccc1[C@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 587847592 LPNPXBOBZWOQIM-SPLOXXLWSA-N 416.359 5.784 0 1 HKAF Cc1ccc(-c2ncc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)o1 587853267 LTQOFMPAUGPMQV-XYZCENFISA-N 407.308 5.237 0 1 HKAF COc1cccc(-c2cc(O)cc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c2)c1 587932952 HYWCXOIXIDJBOY-UHFFFAOYSA-N 422.484 6.190 0 1 HKAF Nc1c(Br)cccc1-n1c(-c2cccs2)ccc1-c1cccs1 587935631 DMLZHVKVMOCXFM-UHFFFAOYSA-N 401.354 6.279 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c(C)nccc2[nH]1 587958217 CGNSVZCGWLSAGM-UKFPHXRLSA-N 417.641 8.121 0 1 HKAF OC[C@H](CN1CCC(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1 653699375 CPOIFTHUTWZTPZ-MHZLTWQESA-N 415.577 5.108 0 1 HKAF Cc1ccc(C(=O)C[C@H](c2ccccc2Cl)[C@@H]2C(=O)Oc3ccccc3C2=O)cc1 957591876 LTQMVETWLGHXGZ-XXBNENTESA-N 418.876 5.423 0 1 HKAF FC(F)(F)Oc1ccc2nc([C@@H]3NCCc4cc(-c5ccccc5)ccc43)[nH]c2c1 962662666 LXRPFRXHUHAKRW-OAQYLSRUSA-N 409.411 5.364 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnn(-c3ccc(Br)cc3)c2)N1 962961355 UOHICTOSTZRUQT-HRAATJIYSA-N 421.342 5.130 0 1 HKAF C[C@H](c1ccc(C(F)(F)F)cc1)[C@@H]1c2ccsc2CCN1Cc1cccnc1 962995236 MPLUYUVFMBSYAO-QVKFZJNVSA-N 402.485 6.065 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@]2(C)c1cnc(Nc2ccc(Cl)cn2)s1 963260594 ZFNBHBIYAWEOTH-IBGZPJMESA-N 421.353 5.006 0 1 HKAF Oc1ccc(C2=C(c3ccc(OCCN4CCC4)cc3)c3cc(O)ccc3CC2)cc1 1857611100 WTBLQBMWBIWRIC-UHFFFAOYSA-N 413.517 5.088 0 1 HKAF Cc1cccc(Cl)c1C(=O)c1cn(-c2ccc(C(=O)O)cc2F)c2ncccc12 1857620845 RFGAQANPYWTJSL-UHFFFAOYSA-N 408.816 5.056 0 1 HKAF Cc1ccc(/C=C/C(=O)Nc2nc(-c3ccc4oc5ccccc5c4c3)cs2)cc1 1857759255 QCLLBDNKLLITSX-JLHYYAGUSA-N 410.498 6.670 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1)CC2=O 2356422641 GOAUTULGLLBZSR-HSZRJFAPSA-N 408.494 5.745 0 1 HKAF CC[C@H]1[C@@H]2C3=CC[C@H]4[C@](C)(CC[C@H]5C(C)(C)CCC[C@]54C)[C@]3(C)CC[C@@]2(C)C[C@H]1O 2356515316 KEXCKZCLTTUBOQ-XMYWGRMPSA-N 412.702 7.779 0 1 HKAF Cc1ccc(-n2ncc(C(=O)Nc3cc(Cl)ccc3C)c2C2CCNCC2)cc1C 4961502 QXLDNYBDOWERLX-UHFFFAOYSA-N 422.960 5.170 0 3 HKAF C[C@@H](COc1ccccc1)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 198904740 JRTVCNLTPDVGMR-HSZRJFAPSA-N 415.577 5.350 0 3 HKAF Cc1cc2c(Br)cc(Br)c(O)c2nc1C(=O)c1ccccc1 1628651 NGWZHHIVXCJLBA-UHFFFAOYSA-N 421.088 5.005 0 1 HKAF O[C@@H](/C=C1\C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 3791025 WXLTVTMEQSZESS-YZQOCSGXSA-N 413.536 5.712 0 1 HKAF COc1cc(O)cc2c1C(=O)O[C@H]2CCCCC[C@H]1CCC[C@@]2(CC[C@@H](C)O2)O1 13423825 CZIMFHQXGMXDMO-YMXCIHAJSA-N 404.503 5.027 0 1 HKAF Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCOc2ccccc2)c1Cl 13438017 CBUNQTSLJBKXPU-UHFFFAOYSA-N 415.320 5.854 0 1 HKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)O[C@@](C)(CCO)[C@@H]1CC[C@@H](CO)C[C@@H]21 13781099 PQXOBNRJDNMYDD-STLTWMRASA-N 418.618 5.666 0 1 HKAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](COC(=O)C3CCCCCC3)CN(C)[C@@H]1C2 13793980 CMVPUJXKMCBLDT-RZPHLTDDSA-N 422.613 5.696 0 1 HKAF O=C(N1CCN(Cc2c[nH]cn2)c2ccccc2C1)N(c1ccccc1)c1ccccc1 13803054 GVHBBIAOKIIRAI-UHFFFAOYSA-N 423.520 5.190 0 1 HKAF CC(C)=CCc1c2c(cc3c(=O)c(Oc4ccc(O)cc4O)coc13)C=CC(C)(C)O2 15204419 JRLYIMPHEWEJIU-UHFFFAOYSA-N 420.461 5.689 0 1 HKAF biogenic,in-vitro CC(C)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCCC2)cc1 26574859 QFCUMNGLFLVTRQ-BJKOFHAPSA-N 413.583 5.507 0 1 HKAF CCCN1C(=O)c2ccccc2[C@@]1(OCCc1ccccn1)c1ccc(Cl)cc1 28134919 HJWDABPABOMHLB-DEOSSOPVSA-N 406.913 5.061 0 1 HKAF CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3cccc(O)c3)c3ccccc32)cc1 28528120 LAEBQRJVYYFVCF-UHFFFAOYSA-N 401.462 6.124 0 1 HKAF O=c1c2cc(F)c(-c3ccc4cnccc4c3)cc2n(C2CC2)c2snc(O)c12 28572086 TUOOJOYIRPNXDT-UHFFFAOYSA-N 403.438 5.006 0 1 HKAF CCCCCc1cc(O)cc(OCCCCCCCCCCCC(=O)NC2CC2)c1 28649193 ULCUJOWOGQUZOC-UHFFFAOYSA-N 417.634 6.683 0 1 HKAF Cc1cccc(N(C)C(=O)Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1 28826696 YSYILNVKBYZTCI-UHFFFAOYSA-N 402.372 5.836 0 1 HKAF COC[C@H]1C[C@H]1C1=N[C@H](COC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CS1 29552125 GLETTXAHAKRGIB-NMKSQADASA-N 405.648 6.219 0 1 HKAF C/C=C(\CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 33831247 OSELKOCHBMDKEJ-OWUWMBAISA-N 412.702 7.945 0 1 HKAF O=C(S[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 39233078 MMQQWDIKBXHDQD-KRWDZBQOSA-N 411.741 6.158 0 1 HKAF Cc1cccc(C)c1C(OC[C@@H](O)CN1[C@@H](C)CCC[C@@H]1C)c1c(C)cccc1C 40640635 HQNAZSBHKFCMGR-HJOGWXRNSA-N 409.614 5.650 0 1 HKAF O=C(O)c1cccc(-c2cnc(C(=O)[C@@H]3CCc4cc(-c5ccccc5)ccc4C3)o2)n1 71329902 GXVIOWILFYSQLD-HXUWFJFHSA-N 424.456 5.090 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCc3ccc(F)cc3)ncnc21 82185403 UDXCDBIGZQLTLM-MRXNPFEDSA-N 419.504 5.299 0 1 HKAF CC1(C)C=C[C@@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 86025069 DAYKSLOBCZJGHS-ACEGBUHXSA-N 424.713 7.945 0 1 HKAF in-man c1ccc2c3c(ccc2c1)O[C@H](c1c[nH]c2ccccc12)N[C@@H]3c1c[nH]c2ccccc12 98084488 BIRPDCCULMGMTN-VSGBNLITSA-N 415.496 6.573 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1[C@@H](C)c1ccc(OC(F)(F)F)cc1 103270566 HJVDPZHVBGLZSD-YOEHRIQHSA-N 423.431 5.417 0 1 HKAF NC1(c2ccc(-c3nc4ncc(-c5ccccc5)cn4c3-c3ccccc3)cc2)CCC1 113654961 UPJRTEWYTRCMGI-UHFFFAOYSA-N 416.528 6.068 0 1 HKAF OCc1ccnc(Nc2nccc3nc(-c4c(Cl)cccc4Cl)sc23)c1 114604806 KKOUKGZNGJAGDX-UHFFFAOYSA-N 403.294 5.296 0 1 HKAF O[C@@H](c1ccccc1)c1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1 116285999 FLRVREFLPLXHCL-SANMLTNESA-N 410.904 6.403 0 1 HKAF O=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccc(Br)cc3)nc2c1 144379713 JYEDHQQNZQECPO-UHFFFAOYSA-N 405.251 5.425 0 1 HKAF CCN(CC)c1nc(C)nc(Nc2ccc(C(C)C)cc2Br)c1SC 169310000 JVJMGZVAZBEAFI-UHFFFAOYSA-N 423.424 5.983 0 1 HKAF O=C(O)c1ccccc1NC(=O)N1C[C@H]2C[C@H](c3ccccc3C(F)(F)F)C[C@H]2C1 299841481 ZZZMLSGWZAFWHA-QDMKHBRRSA-N 418.415 5.061 0 1 HKAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586916216 LENCWIGOIFAANN-YJYMSZOUSA-N 408.807 5.452 0 1 HKAF CC(C)Oc1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1 586976014 RMHXKKIQLPDFLO-UHFFFAOYSA-N 400.103 6.086 0 1 HKAF Cc1cc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Cl 587033352 YSCXIXCRQJLZOS-LBMJDHPKSA-N 418.975 5.652 0 1 HKAF Cc1cncc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 587074508 BCODLZGYOJIPAF-SFQUDFHCSA-N 422.919 6.622 0 1 HKAF Oc1ccccc1-c1cc(-c2nc3cc(Cl)cnc3[nH]2)c2cccc(Cl)c2n1 587081030 KETZBKKXGHPYBV-UHFFFAOYSA-N 407.260 5.853 0 1 HKAF O=C(CCCc1nc2cc(Cl)cc(Br)c2[nH]1)c1ccc(Cl)cn1 587081596 CVHYLEXVAGXFIF-UHFFFAOYSA-N 413.102 5.233 0 1 HKAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cc(Br)ncc3[nH]2)c1 587092367 FHNQCYSVNFITMU-UHFFFAOYSA-N 410.115 5.425 0 1 HKAF CCCOc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 587106296 KURWRYDUCPBPQX-UHFFFAOYSA-N 423.468 5.529 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)cc2F)c1 587143257 OKPVNGJNWDZSRV-UHFFFAOYSA-N 421.781 6.112 0 1 HKAF COc1cc(-c2nc3cc(Cl)cc(F)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143333 BXISGORJSAALEO-UHFFFAOYSA-N 414.795 5.535 0 1 HKAF COc1ccccc1Nc1ccccc1-c1nc2cc(Br)cc(F)c2[nH]1 587241188 QHERPKIAKDEXIN-UHFFFAOYSA-N 412.262 5.884 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H](c3ncccc3O)C2)[C@H]1c1ccc(F)cc1 587333894 DAMDAQQWIFETHS-PMHROOCVSA-N 419.452 5.087 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2C2CCCCC2)[C@H]1c1ccc(F)cc1 587347494 AZAVSUQZADAKJY-GVUKDKGQSA-N 408.513 6.400 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)c(Br)c1)(C1CC1)O2 587378307 UFPKTVYIMITEKX-IBGZPJMESA-N 406.707 5.264 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cc(Cl)ccc4C(=O)O)cc1)[C@@H](C2)C3=O 587417280 BJBWDNCCZUDWPU-CVDCTZTESA-N 420.848 5.203 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCc3cc(Br)ccc3C1)CC2=O 587459939 ZTWCXDNUFKATLZ-NRFANRHFSA-N 401.300 5.000 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3cc(SC(F)F)ccc31)CC2=O 587465019 FBFXNUCAQZINCL-QFIPXVFZSA-N 404.478 5.856 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(CNC(=O)OC(C)(C)C)c1)CC2=O 587470072 LXXCYOABMSTKBB-NRFANRHFSA-N 411.498 5.076 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cnc(-c3cccc4ccccc34)nc1)CC2=O 587492855 XYMYMGJYPRLYFT-DEOSSOPVSA-N 410.473 5.661 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H]2c1ccccc1Cl 587549293 RMEDPRQRHMSYFF-QATBIIFWSA-N 406.865 5.714 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccn1)C1CCCCC1 587585844 GTVSFKZAZBRKOA-WIOPSUGQSA-N 401.462 5.225 0 1 HKAF C[C@H](Cc1ccc(C(C)(C)C)cc1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600724 CBAKDZRHOARKSG-RXMJPHHWSA-N 416.517 5.899 0 1 HKAF Cc1ccc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 587600810 CIOMFKZNTUAZLS-NAKRPHOHSA-N 422.480 6.245 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1Cl 587695868 SHCYIBUPXKMRCC-XYZCENFISA-N 403.122 5.827 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(C(F)(F)F)N1 587700293 AHAPQHXMBPQAHS-KZULUSFZSA-N 416.256 5.513 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C1CCCC1 587754341 YFOGDEHMVYAVOD-GTJPDFRWSA-N 405.355 5.745 0 1 HKAF Cc1cccc([C@@]2(c3ccccn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587773690 RGTPDZIACDZETE-NYHFZMIOSA-N 411.318 5.118 0 1 HKAF CCCOc1cc2nc(COC/C=C\c3ccccc3)[nH]c2cc1Br 587781565 XECORQURHQDQKX-TWGQIWQCSA-N 401.304 5.344 0 1 HKAF CCCCCOc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587795196 QXWLIWOPUUEQDA-QKKBWIMNSA-N 406.339 5.781 0 1 HKAF CCCOc1c(OCC)cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587798847 ZRJHUQMVLIEZOM-XCLFUZPHSA-N 422.338 5.399 0 1 HKAF C/C=C\[C@]1(C2=C(C)C=CCC2(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587816009 SIXWYVGNVTUNEC-ZMVVGMJTSA-N 404.367 6.196 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccc(O)cc3)c2)N1 587831481 HPYWEYCVYQXQHA-MCMMXHMISA-N 412.302 5.584 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccccc3)o2)N1 587841621 BPVHQKUPHINLDX-YUNKPMOVSA-N 418.331 5.956 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc(C=O)sc3s2)N1 587856489 IEKCKDULKOJKDN-PWJLMRLQSA-N 410.333 5.301 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1C[C@@H]1c1ccc(C)cc1 587857844 AJNHOXPBOBOOLG-SJORKVTESA-N 415.320 6.008 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc3ccc(Cl)cc23)N1 587859111 VRHOWTXTBAERSK-NIVTXAMTSA-N 410.739 6.080 0 1 HKAF CC[C@@H](C(=O)Nc1cccc(-c2nc(-c3ccc(F)cc3)cs2)c1)c1ccccc1 587923179 SZCCWLURAAHUHJ-JOCHJYFZSA-N 416.521 6.749 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c2C)c(OC)c1 587928698 HMJOODZMBJYMOK-UHFFFAOYSA-N 413.399 5.636 0 1 HKAF CC(C)c1ccc(-c2cc(O)n(CCCc3ccc(Cl)c(Cl)c3)c2O)cc1 587943154 NWWAMCFQWVSMHJ-UHFFFAOYSA-N 404.337 6.629 0 1 HKAF c1ccc2sc(-c3ccc4nc(COC56CC7CC(CC(C7)C5)C6)[nH]c4c3)nc2c1 587949801 CMDGNUMOOFEZEH-UHFFFAOYSA-N 415.562 6.325 0 1 HKAF FCCOc1ccc(CC[C@@H]2CCC[C@H](CCc3ccc(OCCF)cc3)N2)cc1 653717077 LKAQESZKRAOEGR-ZRZAMGCNSA-N 417.540 5.459 0 1 HKAF CC(C)CN1[C@H](c2c(F)cc(/C=C/C(=O)O)cc2F)c2ccc(O)cc2CC1(C)C 653730580 WJYQOLKLEKGEFE-GPVJQRHHSA-N 415.480 5.150 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2ccc(Oc3ccc(F)cc3F)cc2)N1 962954783 LNYKQGDXIRHEDH-WXTAPIANSA-N 418.487 6.426 0 1 HKAF CC1(C)C[C@@]2(c3cc(Br)ccc3O1)c1c(F)cccc1C[C@H]1CCCN12 963102786 RZDIVHQAMXAGDS-OPAMFIHVSA-N 416.334 5.413 0 1 HKAF CSc1ccccc1CC[C@]1(c2ccc(C)cc2C)c2nn(C)cc2CCN1C 963956156 VGCCFPUNKYLKLW-VWLOTQADSA-N 405.611 5.123 0 1 HKAF CCCCNC(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccc(Cl)cc2)s1 1772584473 PFGJRCQZOSDXNK-UHFFFAOYSA-N 403.910 6.191 0 1 HKAF NC(=O)c1ccc(-c2cc(-c3ccc(-c4nccs4)cc3)nc(-c3ccco3)c2)cc1 1857769561 HMVOKQDXOYWIBC-UHFFFAOYSA-N 423.497 5.898 0 1 HKAF c1ccc(CC2CCN(C[C@H]3CS[C@@]4(CCCCc5ccccc54)S3)CC2)cc1 1911574852 AGCJIQWBHFFGSG-AHWVRZQESA-N 423.691 6.369 0 1 HKAF CC(C)[C@H](C)C[C@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356440377 ZHZKWZJLUNXOSN-ZDGAVRHGSA-N 418.706 6.685 0 1 HKAF CC1=C(C[C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@@H]1C(C)C 2356580073 KRCHOIMKMJBPQW-MLVOSTGJSA-N 412.702 7.635 0 1 HKAF CC1=C(Cc2c(O)cc(C)oc2=O)[C@]2(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)[C@@H]2CC1 2356798418 PGQIYFXKLHRAJW-KKAWSVTKSA-N 414.586 5.526 0 1 HKAF CN1C[C@@H](c2c[nH]c3cc(Br)ccc23)N(C)C[C@@H]1c1c[nH]c2ccccc12 2356802584 SKUCPWBVTUHORN-YADHBBJMSA-N 423.358 5.071 0 1 HKAF Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCCC[C@@H]1c1ccccn1 11665474 DLCCMXKLMVGFJG-LJQANCHMSA-N 411.889 5.154 0 1 HKAF CC(C)c1ccccc1OC(=O)NS(=O)(=O)Oc1c(C(C)C)cccc1C(C)C 13747611 BGXKZLQMTIZJRT-UHFFFAOYSA-N 419.543 5.469 0 1 HKAF CCCCCCNc1c(OCCCn2cnc(-c3ccccc3)c2)cccc1N(C)C 13827544 GWNGILGEXQCQQI-UHFFFAOYSA-N 420.601 6.077 0 1 HKAF Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(OC(F)(F)F)cc24)CCC3)n1 14976359 SRIWDROQQPUKBC-UHFFFAOYSA-N 410.399 5.314 0 1 HKAF COc1ccc(COc2ccc(-c3cc(/C=C4/CN5CCC4CC5)on3)cc2)cc1 26667176 VUNFWSNZRZSOAP-STZFKDTASA-N 402.494 5.038 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@@H](C)C[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 26949838 XUTZDXHKQDPUMA-VBFCDYNISA-N 415.706 7.174 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1 28091835 QWEVSVIZUBGYOE-HXUWFJFHSA-N 402.498 5.367 0 1 HKAF CC(C)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]21C 33832762 AVHGSHJBWASVAK-TUGTUXFRSA-N 424.713 8.233 0 1 HKAF C[C@H]1CC(=O)[C@](C)(CCC(=O)O)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@@H](C)CCC(=O)O)[C@@H]12 40496832 VKFJUKMHHGHLBA-SDNHADRLSA-N 406.563 5.026 0 1 HKAF COc1cccc(-c2nc3ccc(Br)cn3c2NC2CCCC2)c1OC 43061628 WSQFWVZSYMLZQS-UHFFFAOYSA-N 416.319 5.136 0 1 HKAF CC(=O)N[C@H](C)c1ccc(-c2ccc(Oc3ccc(OC(C)C)cc3)cc2C)c(C)c1 45318642 IOVJFHDRCUVSHG-HXUWFJFHSA-N 417.549 6.747 0 1 HKAF COc1ccccc1C(=O)c1oc2ccc3c(C)cc(=O)oc3c2c1-c1ccccc1 45386292 SVCRPIOTQAFJCP-UHFFFAOYSA-N 410.425 5.754 0 1 HKAF CCC[C@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1 49793127 IDKVKNVGEAMACJ-FTJBHMTQSA-N 405.582 5.669 0 1 HKAF O=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 58012609 IUCBCZXAHISAEI-XMMPIXPASA-N 410.989 5.395 0 1 HKAF CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl 58603363 KJDGJYRSHIMSDB-QGZVFWFLSA-N 407.297 5.298 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)[C@H](c1ccc(O)cc1O)CO2 59729225 FXULBICJYGBORJ-QEXPOGAPSA-N 424.493 5.103 0 1 HKAF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc(F)cc2)C1 82140483 QRFBWYNCVYCNRW-ROUUACIJSA-N 424.564 5.393 0 1 HKAF CN(C(=O)c1cnc(NC2CCCCC2)nc1-c1ccccc1F)C1CCCCC1 82151338 NRTKTZIGUJEVLW-UHFFFAOYSA-N 410.537 5.432 0 1 HKAF CCOc1ccc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccc(F)cc3)n2)cc1 82164760 DBJSAOLNFXLNIN-UHFFFAOYSA-N 418.472 5.299 0 1 HKAF CC[C@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCc3ccc(C)cc3)ncnc21 82179140 RNZKJOQLGJECTP-INIZCTEOSA-N 419.960 6.113 0 1 HKAF CC1=C2C3=CC[C@@H]4[C@](C)(CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]3(C)CC[C@@]2(C)CC[C@@H]1C 85977725 LGVXVLHBYPSFGC-PBEUHHFVSA-N 424.713 8.089 0 1 HKAF in-man c1ccc(-c2csc(N3N=C4c5ccccc5CC[C@H]4[C@@H]3c3cccs3)n2)cc1 95595866 MOSKGJLKTQASHI-AUSIDOKSSA-N 413.571 6.400 0 1 HKAF Cc1nc2cc(N[C@H](c3ccccc3Cl)c3c(C)[nH]c4ccccc34)ccc2s1 103244928 GCSKLLBVPVSKGW-XMMPIXPASA-N 417.965 7.249 0 1 HKAF CCn1nc(-c2cccnc2)cc1-c1ccc2c(c1)OC[C@H](c1c(F)cccc1F)N2 103256070 FTJJUDXEIXIMDD-OAQYLSRUSA-N 418.447 5.456 0 1 HKAF COc1cccc(-c2ncc(Nc3ccc(C(F)(F)F)cc3C(=O)O)cc2C)c1 113898565 SZXQQLJDAMZDHN-UHFFFAOYSA-N 402.372 5.526 0 1 HKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)/C=C\CC/C=C\CCCC(=O)O 169636568 PCJNPOCWIRLPDQ-ZNRUBAJXSA-N 420.722 9.209 0 1 HKAF CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)c(CC=C(C)C)c(C)c1O 238732494 ZUBXHWGVNFWLBN-UHFFFAOYSA-N 420.505 5.903 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC(=O)[C@@H]1[C@]2(C)CCCC(C)(C)[C@H]2CC[C@]13C 257485976 MQILTVJSXIHHGW-FGXOJWHKSA-N 424.713 8.521 0 1 HKAF endogenous,in-man Cc1[nH]nc2c1[C@H](c1cccc(Cl)c1Cl)c1c(nc3c(c1N)CCCC3)O2 299830233 XKJSEWFLTQKDNA-HNNXBMFYSA-N 401.297 5.167 0 1 HKAF CCc1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1CC 586880315 XJCRJTBXAMEWNB-UHFFFAOYSA-N 413.237 6.016 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4cc(S(=O)(=O)C(F)(F)F)ccc4[nH]3)cc2)o1 586902887 HTCQNODWFKBAMM-UHFFFAOYSA-N 406.385 5.092 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(Br)c(C)c(C)c2[nH]1 586916443 MMBILMBTPRHBCY-QVKFZJNVSA-N 413.315 5.159 0 1 HKAF Cc1ccc2c3c(cc(C(=O)c4cccc(C(F)(F)F)c4)nc13)-c1ccccc1C2=O 586992569 HMYNYIGZJFCLGL-UHFFFAOYSA-N 417.386 6.004 0 1 HKAF Clc1ncc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc-2[nH]1 586998918 SDKKKZUWBPQJLW-SOFGYWHQSA-N 401.651 5.151 0 1 HKAF FC(F)(F)c1cc(Br)c2nc(-c3ccc(Br)o3)[nH]c2c1 587008317 SNRGJPKFOLNWLB-UHFFFAOYSA-N 409.987 5.367 0 1 HKAF CCCOc1cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2cc1Br 587026209 SMUGCGHKWIVOBX-UHFFFAOYSA-N 413.340 6.510 0 1 HKAF COC(=O)c1cccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 587041174 WPCRMIOWVGOCJX-UHFFFAOYSA-N 401.491 5.195 0 1 HKAF Nc1ccc(-c2ccc3nc([C@H]4C[C@@H]4c4c(Cl)cccc4Cl)[nH]c3c2)cc1N 587051954 WJPXBQNBWNENAX-KBPBESRZSA-N 409.320 5.972 0 1 HKAF CC(C)COc1cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1Br 587080614 NUVOGALZIHBDLV-SFHVURJKSA-N 421.722 5.690 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cncc(Cl)c2[nH]1 587088131 SIWWOKBUASWCNO-VOTSOKGWSA-N 418.715 5.642 0 1 HKAF CCC[C@H]1CC[C@H]([C@@H]2CCc3nc4c(C)ccc5c4c(c3C2)-c2ccccc2C5=O)CC1 587102278 ZXFPJCINKJXTFM-NJDAHSKKSA-N 423.600 7.466 0 1 HKAF FC(F)(F)c1nc2ccc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)cc2[nH]1 587120435 IWEFODPGRKITEI-UHFFFAOYSA-N 408.383 5.704 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(F)c(F)c5)[nH]c4c3)o2)cc1 587145200 HRAGRSDDQLZMIR-UHFFFAOYSA-N 404.376 5.234 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3c(Br)ccnc3[nH]2)cc1F 587149967 JJTONGMLRUWAPY-KRWDZBQOSA-N 416.225 5.167 0 1 HKAF Cc1nc(Cc2ccccc2)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208454 RTNHOXGCHPZMKO-UHFFFAOYSA-N 418.521 6.469 0 1 HKAF CC(C)(C)OC(=O)N[C@H](c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C1CCCC1 587226558 RGQNTAMRIAMESE-HNNXBMFYSA-N 417.859 5.991 0 1 HKAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc4ccccc4cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587239362 JPBHYDNXMSAUFQ-OYRDERLMSA-N 421.541 5.271 0 1 HKAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc(OC(C)C)cc3[nH]2)c(O)c1 587239901 AZDYRIZWXCTRPZ-UHFFFAOYSA-N 415.493 5.212 0 1 HKAF Cc1cc(Cl)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C 587324875 ARCGQIYLRNZEFU-LADGPHEKSA-N 410.872 6.076 0 1 HKAF C[C@]1(c2cc3cc(F)ccc3[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335005 NLFRJBBVQUKZHE-LADGPHEKSA-N 405.400 5.426 0 1 HKAF CC1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(F)cc2O1 587336656 QZLLFSHHLZCEKO-DHLKQENFSA-N 422.427 5.486 0 1 HKAF COc1cccc(-c2cc(-c3cn(C)c4ccccc34)nc3c2oc2ccccc23)c1 587361946 CSBKEBSGGYGXRW-UHFFFAOYSA-N 404.469 6.815 0 1 HKAF CCc1nc2cccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)c2o1 587362488 IFYZMQNPCPOYFM-UHFFFAOYSA-N 420.468 7.027 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C)c2cc(OC)ccc2C3)c1 587362530 JBSZNGSQEKAKLQ-MRXNPFEDSA-N 421.496 6.721 0 1 HKAF CSc1cccc([C@]2(c3ccc(F)c(F)c3)CC(=O)c3cc(C)cc(N)c3O2)c1 587384689 HZYOZHZWKOZWOO-QHCPKHFHSA-N 411.473 5.486 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(C(C)(C)C)cc(C(C)(C)C)c1OC)[C@@H](C2)C3=O 587444053 RQRBTHKLOKULOQ-SBUREZEXSA-N 408.538 5.788 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(Cl)c(C)cc1O)CC2=O 587461588 RORGZFDZHFPABZ-VWLOTQADSA-N 422.908 5.921 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C(=O)c1ccc(C)cc1)(c1ccc(C)cc1)CC2=O 587488014 HNGWHTQRQRCNBQ-MHZLTWQESA-N 414.501 5.705 0 1 HKAF O=C1C[C@@](c2ccc(Cl)cc2)([C@H](O)c2ccccc2)Oc2c1ccc1c2CCCC1 587501612 PLWKDSXZDYXTJM-CLJLJLNGSA-N 418.920 5.813 0 1 HKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Br 587537703 AQODXWYTVGRFDR-GHTZIAJQSA-N 411.251 5.166 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(C(F)(F)F)c1Cl 587550632 VPLOGIKZNPYTFN-OXQOHEQNSA-N 420.770 5.767 0 1 HKAF CCN(CC)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587556236 WLQVFLCMBAEEIJ-URXFXBBRSA-N 407.441 5.080 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2ccc(F)cc2)n1 587569388 ILLDQDDGQPQUQM-RCZVLFRGSA-N 413.404 5.296 0 1 HKAF CCCCCCC1(CCCCCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600678 OXYXFPAQKVDQSM-QHCPKHFHSA-N 410.554 7.033 0 1 HKAF Cc1cc2c(cc1C)[C@]1(CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607124 GGFQTJKBHMUVLM-DHLKQENFSA-N 402.446 5.039 0 1 HKAF Cc1ccc2c(c1C)OCCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609205 MXIWRFFTGKIOCM-SQJMNOBHSA-N 402.446 5.039 0 1 HKAF Nc1ccccc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccccc1 587627565 CSBYGLUEVCORJA-UHFFFAOYSA-N 420.356 7.122 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(C(=O)OC)n(C(=O)OC(C)(C)C)c3)c(C)c2c1 587641017 DFFLUQMSQXCINP-CQSZACIVSA-N 410.514 6.028 0 1 HKAF Cc1cc2c(cc1Cl)[C@]1(C=CO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587693969 FSCUAWNLXDPBFH-JEOXALJRSA-N 408.698 5.234 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)(F)F)c(F)c2)N1 587710693 HDZIHEZRXVNRRN-ZKANADHPSA-N 406.192 5.370 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)cc2C(F)(F)F)N1 587714077 UOLOVJCCGCGNHZ-PWJLMRLQSA-N 422.647 5.884 0 1 HKAF Cc1cc(C(F)(F)F)ncc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587714271 OWJXPMFSTITEAD-BTDLBPIBSA-N 417.244 5.108 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(F)c(Cl)c2)N1 587714313 FGGFCMYYYIBRMY-HYORBCNSSA-N 407.085 5.658 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(F)cc3F)o2)N1 587726718 YZZCOOUTDZCDDV-SBKAZYGRSA-N 422.244 5.750 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2N2CCCCC2)N1 587767564 RSXJRBXCCYEYLK-QKKBWIMNSA-N 403.339 5.202 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)CCC[C@@]31N[C@@H](C)Cc2ccc(F)c(Br)c21 587801230 DXGYVJBBKQHNOV-XMHCIUCPSA-N 413.334 5.492 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccccc3)cc2)N1 587806374 ADLBRDRAZZJOJV-FPTDNZKUSA-N 412.302 6.004 0 1 HKAF COc1ccc([C@]2(c3ccco3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587826657 GDYSYMKIRZFOKO-YEJXKQKISA-N 416.290 5.016 0 1 HKAF CCc1ccc2oc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587827209 IIKQNNUYGIQKQL-QKVFXAPYSA-N 402.307 5.695 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccc(O)cc2)N1 587831897 IJQKWJRPYYZJFY-XMHCIUCPSA-N 412.302 5.584 0 1 HKAF CC(C)[C@@]1(c2ccc(Cl)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 587846905 JHEOGSMKXWZHMK-QGHHPUGFSA-N 402.760 5.737 0 1 HKAF Cc1cccc(-c2nc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cs2)c1 587852715 NEWPBIXFGQWYNO-BUXKBTBVSA-N 417.347 5.644 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2c(C)ccc(C)c2s1 587864627 QCNZXNACWSTUMP-UHFFFAOYSA-N 403.429 5.793 0 1 HKAF O=C(c1ccc(Br)c2ccccc12)n1nc2cc1Oc1ccc(F)cc1-2 587873164 VKUMSWUVTZYHAP-UHFFFAOYSA-N 409.214 5.399 0 1 HKAF Cc1c(Br)cnc2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc12 587949209 BEHSZFNAGBEOQW-VAWYXSNFSA-N 406.283 5.992 0 1 HKAF COc1cccc(-c2cccc([C@H]3c4c(ccc(OC)c4OC)C[C@@H](C)N3C)c2)c1 962619702 FLEZPJPJJRTJPT-NSYGIPOTSA-N 403.522 5.345 0 1 HKAF COc1ccc2c(c1OC)[C@@H](c1cc(C(C)(C)C)cc(C(C)(C)C)c1)N(C)[C@@H](C)C2 962637733 TYXORDARRUGZNQ-BXKMTCNYSA-N 409.614 6.265 0 1 HKAF Fc1c(Br)ccc(Cl)c1[C@H]1NCCc2cccc(-c3ccccc3)c21 962669771 SLJURSKCLGZJAX-NRFANRHFSA-N 416.721 6.144 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccccc2)(c2ccc(OC(C)=O)cc2)N1 962949639 QCQUTZJAKRXJSC-KDYSTLNUSA-N 410.517 5.309 0 1 HKAF Clc1cc(Cl)c2c(n1)CCC[C@@]21c2ccsc2CCN1Cc1cccnc1 963014434 SSRPOEZHNMQWOS-OAQYLSRUSA-N 416.377 5.483 0 1 HKAF O=C(CCC[C@]1(c2ccccc2)NCCc2c(Cl)cc(Cl)cc21)c1ccccc1 963102654 DNDZEQVBQMGAKE-RUZDIDTESA-N 424.371 6.436 0 1 HKAF O=C(O)CCC[C@]1(c2ccccc2C(F)(F)F)c2c(F)cccc2C[C@@H]2CCCN21 963108267 LDKSBOMDVPLGSE-AOMKIAJQSA-N 421.434 5.364 0 1 HKAF C[C@]1(c2ccccc2OC(=O)c2ccccc2)NCCc2c(Cl)cc(Cl)cc21 963110469 PRBUXWSLBGQSJQ-HSZRJFAPSA-N 412.316 5.622 0 1 HKAF Cc1ccc(C(=O)Nc2nc(-c3ccccc3)cn3cc(-c4ccccc4)nc23)cc1 1772609301 CYXYIFRMINOQAU-UHFFFAOYSA-N 404.473 5.624 0 1 HKAF O=C(NC[C@@H]1CCCN(Cc2nc3ccccc3s2)C1)c1ccc2ccccc2c1 1772655176 KTYMYKBCBUASMF-SFHVURJKSA-N 415.562 5.092 0 1 HKAF Cc1nnc2n1-c1ccc(-c3cncs3)cc1[C@H](Nc1ccc(Cl)cc1)CC2 1857568024 BTXIGXUAENIVOL-GOSISDBHSA-N 407.930 5.452 0 1 HKAF Clc1ccc([C@H](c2c[nH]cc2-c2ccc3ccccc3c2)n2ccnc2)c(Cl)c1 1857583364 ZABWFZXICLSWBV-XMMPIXPASA-N 418.327 6.976 0 1 HKAF CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@H]1C[C@@H]1c1cccc(F)c1 1857619880 XOBVCWPXOBDWGK-FYYLOGMGSA-N 421.560 5.333 0 1 HKAF COc1ccc([C@@H](C)C(=O)c2ccc(NCc3ccccc3)cc2OC)cc1OC 1857642149 RAHBTVBFKALZFV-QGZVFWFLSA-N 405.494 5.311 0 1 HKAF O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ncccc1OCc1cccc(F)c1 1857648468 AEZGXBANYOLJSO-UHFFFAOYSA-N 406.244 5.751 0 1 HKAF c1ccc2c(c1)N=C(c1cc3ccccc3o1)C[C@@H](c1cccc3ccccc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c1c(-c2c(C)cc(OC)c3c(OC)cccc23)c(O)cc2c1[C@@H](C)N(C)[C@H](C)C2 13359047 JITCIHHOZPFUCR-HZPDHXFCSA-N 421.537 5.484 0 1 HKAF biogenic O=C(CCCCCCCCCCCCCCCOc1cccc(O)c1)NC1CC1 13676026 OJUXAQNBCOQSTL-UHFFFAOYSA-N 403.607 6.511 0 1 HKAF Clc1cccc([C@@H](OC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c2ccccc2)c1 13861966 QJFFUDZGJNXBLG-UEEAVMEZSA-N 417.980 6.642 0 1 HKAF COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@@H]23)cc1OC(F)F 26573148 VKQDIKWPKDHRJH-QZTJIDSGSA-N 418.484 5.148 0 1 HKAF N=C(N)CCCC[C@@H]1C(=O)O[C@H]2Cc3ccc(-c4cccc(-c5ccccc5)c4)cc3[C@@H]21 27435381 YAMGGUMWYSKBGX-RMDSEJHCSA-N 424.544 5.698 0 1 HKAF O=C1OC[C@H]2[C@@H]1Cc1cc(F)ccc1[C@@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1 28823235 XHNCHWGKZZRYHX-SRFLYUCYSA-N 403.428 5.169 0 1 HKAF COc1ccc(C[C@](O)(CC(C)(C)c2cc(F)ccc2OC)C(F)(F)F)cc1 28862371 MPRNSLKNQGUKGG-FQEVSTJZSA-N 400.412 5.047 0 1 HKAF O[C@H]1CCc2ccc(Cl)c(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2C1 29127334 IQMMVCZTEATURZ-HNNXBMFYSA-N 419.834 5.409 0 1 HKAF c1ccc(CCN2CCC(Nc3nc4ccccc4n3CCc3ccccc3)CC2)cc1 29560367 YYMSXDUNAAXFPF-UHFFFAOYSA-N 424.592 5.398 0 1 HKAF CC(C)=CCC/C(C)=C\CC/C(C)=C/CC[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 31333465 RZFHLOLGZPDCHJ-SWHBEKBOSA-N 424.669 8.601 0 1 HKAF O=C(Nc1cccc(OCc2ccc(-c3ccccc3F)cc2)c1)C1CCNCC1 40424218 RPKXVSOSKSHJPS-UHFFFAOYSA-N 404.485 5.010 0 1 HKAF CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4ccc(CO)cc4)c3CC[C@@H]21 45386967 XNCBAANIRMIPBG-AZGAKELHSA-N 419.952 5.140 0 1 HKAF Cc1nc(-c2ccc(C)c(-c3ccc4c(c3)NC(=O)C43CCC(F)(F)CC3)c2)n[nH]1 73196933 NAAHVKRPCZFVOM-UHFFFAOYSA-N 408.452 5.155 0 1 HKAF Nc1ccc(-c2ccc(NC(=O)Nc3ccc(-c4ccnc5nc[nH]c45)cc3)cc2)cc1 73257750 XWIQRYXCWXJXRA-UHFFFAOYSA-N 420.476 5.518 0 1 HKAF CCCCCc1nc(-c2cnc(NC3CCCCC3)nc2-c2cccc(C)c2)oc1C 82167442 FXQVFDXPUQDKLG-UHFFFAOYSA-N 418.585 6.893 0 1 HKAF O=C(O)CCc1ccc(OCc2ccccc2-c2ccc(OC(F)(F)F)cc2)cc1 84704059 XKJQHZDLVCEWMT-UHFFFAOYSA-N 416.395 5.848 0 1 HKAF Cc1ccccc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1 116814826 RSATXOOGPNSIBY-UHFFFAOYSA-N 403.379 5.468 0 1 HKAF C[C@@H](CCC=C1CC1)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 118933930 JPBYBCDJWOLHTR-QVMKLVRYSA-N 424.713 7.923 0 1 HKAF CCCCN(CCCC)Cc1cn(C/C=C(\C)CCC=C(C)C)c2ccc(F)cc12 141312841 ORHHILDPJHEWRC-HZHRSRAPSA-N 412.637 7.875 0 1 HKAF C[C@H](c1ccc(-c2c(O)c(F)c(F)c3[nH]c(=O)c4sccc4c23)cc1)N(C)C 204651755 CXVVURJCTROACN-SNVBAGLBSA-N 400.450 5.016 0 1 HKAF COc1c(C#N)ccc2[nH]c(-c3cn4c(n3)[C@H](c3ccc(F)cc3C)CCC4)cc12 221801359 UWBHYFPDKTVLBC-SFHVURJKSA-N 400.457 5.285 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 255212162 GKBHKNPLNHLYHT-CKSXBJDGSA-N 400.735 9.134 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 261515986 ARJBYZCJCNTGQM-TVAUXRHWSA-N 400.647 6.280 0 1 HKAF CC(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 263614394 IWXJGKGAPXGSCN-GCUSXLOISA-N 418.662 5.330 0 1 HKAF in-vitro Cc1ccc2ccccc2c1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586884170 QKFLQPCERHRJGX-UHFFFAOYSA-N 405.217 6.473 0 1 HKAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 586914319 CFQITLBGCMBHLW-UHFFFAOYSA-N 422.440 6.124 0 1 HKAF N[C@H](Cc1nc2ccc(OCc3ccccc3)cc2[nH]1)c1ccc(Br)cc1 586996229 BQEWAYBMSQYSAL-LJQANCHMSA-N 422.326 5.147 0 1 HKAF Cc1c(Br)ccc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c12 586996780 UROOQZIEIYBOLI-UHFFFAOYSA-N 424.136 5.710 0 1 HKAF O=C1C[C@@H](Cc2nc3cc4ccccc4cc3[nH]2)c2c(Br)cccc2O1 587001912 AMZHREWRVPBUTL-CQSZACIVSA-N 407.267 5.114 0 1 HKAF FC(F)(F)Oc1cc(Br)c2[nH]c(CSCc3ccsc3)nc2c1 587028383 XKPKAAONNOYNEP-UHFFFAOYSA-N 423.279 5.719 0 1 HKAF FC(F)(F)c1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2cc1Br 587036584 GUHZWRBDMURUCL-CYBMUJFWSA-N 417.250 5.262 0 1 HKAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587038988 CZOMXLHZSSCZCI-LBPRGKRZSA-N 407.845 5.218 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587068697 BRDNXRQYGUXNCM-TXCQAMFQSA-N 408.720 5.043 0 1 HKAF Fc1cc(Br)cc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc12 587075462 DWYGVWSCQYEDRP-UHFFFAOYSA-N 402.654 5.847 0 1 HKAF COc1ccccc1C[C@H]1CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587097381 LXYSLNGLBLVNMV-GOSISDBHSA-N 405.497 6.036 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@@H](N1CCSCC1)CCC4)-c1ccccc1C2=O 587101562 HWWNDPOYESEEIP-FQEVSTJZSA-N 400.547 5.181 0 1 HKAF CCc1ccc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c2c1 587121582 GHKNCIQMDQEGQX-UHFFFAOYSA-N 403.429 6.123 0 1 HKAF CCOc1cc(/C=C/c2nc3c(C)c(Br)cnc3[nH]2)ccc1OC(F)F 587130316 KTYMZKIJGQKMHA-FNORWQNLSA-N 424.245 5.199 0 1 HKAF CC(C)(C)Oc1cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(N)cc1F 587136674 VINBMYMJXSMDJX-UHFFFAOYSA-N 417.790 5.681 0 1 HKAF CC(C)(C)c1ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 587159822 VBSIUCXYCMKLHC-JOCHJYFZSA-N 408.904 6.821 0 1 HKAF Fc1cncc(Cl)c1Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587175270 AKRADRBCGZFPIE-UHFFFAOYSA-N 424.579 5.002 0 1 HKAF Cc1c(-c2ccc(C3CCCCC3)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587205540 BXUWEBIYFPNJJR-UHFFFAOYSA-N 403.525 7.469 0 1 HKAF Cc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352863 JYKWNDMDLVWIHN-IXCJQBJRSA-N 424.471 6.142 0 1 HKAF CCc1cc2c(n1Cc1ccccc1)CCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 587389208 GAEQLYFDVQFZDP-SANMLTNESA-N 400.522 5.186 0 1 HKAF COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCc1ccccc1C 587398309 DTENHMXDGAEBER-HSZRJFAPSA-N 403.478 5.180 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3ccccc3C)cc1)CC2=O 587481784 SCCRAHUGPSWGJA-MHZLTWQESA-N 416.517 6.113 0 1 HKAF O=C1C[C@@](Cc2ccc(Cl)cc2)(c2cccc(F)c2)Oc2c1ccc1c2CCCC1 587501936 GXHDGPFITJDNBX-SANMLTNESA-N 420.911 6.461 0 1 HKAF O=C1C[C@H](c2c(Cl)nc(Cl)n2-c2ccccc2)Oc2c1ccc1c2CCCC1 587502252 UNVWHBDVCZPLDI-GOSISDBHSA-N 413.304 5.764 0 1 HKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccco1 587579156 SSKZJESOXMCNTA-RDGATRHJSA-N 415.445 5.155 0 1 HKAF Cn1c2c(c3ccccc31)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580887 ZVKDMPNLZASSMZ-GJZUVCINSA-N 411.457 5.077 0 1 HKAF Cc1ccc(-c2cnc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1C 587585737 HHPYKXYLXDYXCP-XUZZJYLKSA-N 413.429 5.367 0 1 HKAF CCOC(=O)c1c(-c2cc(F)c(Cl)nc2Cl)[nH]c2ccc(F)c(Cl)c12 587629485 RVEBXEMWIXIXFI-UHFFFAOYSA-N 405.615 5.645 0 1 HKAF Cc1cc(Br)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587683831 XLPWAWNQVPTMSS-QGHHPUGFSA-N 413.128 5.283 0 1 HKAF Cc1cc(Cl)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1Cl 587691350 DWDHCUDIRPCQTA-VVVCHXIZSA-N 403.122 5.827 0 1 HKAF Cc1nc(C(F)(F)F)ccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587710098 BOSNKTWJKIKIPU-XLFHBGCDSA-N 417.244 5.108 0 1 HKAF Cc1c(F)cccc1-c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587714774 BKNFQXPULGWVCE-WSVYEEACSA-N 418.281 5.919 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(F)c2)N1 587725318 PJVGXDRSYGFUAS-VPTHRUTESA-N 417.091 5.113 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)cc2N2CCCC2)N1 587726454 IQLWASWZMVLDJF-YEJXKQKISA-N 421.329 5.125 0 1 HKAF CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC 587801172 JHDHWVQECXKJFH-YUNKPMOVSA-N 408.311 5.009 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC/C2=C/c2ccccc2)N1 587816900 FRZREAQZEBULFC-SEYLHGHYSA-N 400.335 5.975 0 1 HKAF Cc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 587831507 XOXJUGQKBBSZES-YEJXKQKISA-N 400.291 5.780 0 1 HKAF CCOC(=O)c1sc(-c2ccc(C)cc2)cc1NC(=S)NCCc1ccccc1 958021759 GOSQWONPHCMIBB-UHFFFAOYSA-N 424.591 5.429 0 1 HKAF Oc1ccc2oc(-c3ccco3)c([C@H]3NCCc4cc(-c5ccccc5)ccc43)c2c1 962666638 KXJVYKYGSKVTAH-SANMLTNESA-N 407.469 6.301 0 1 HKAF CCCCOc1ccc([C@H]2NCCc3cccc(-c4ccccc4)c32)cc1OCC 962673271 WLWNWFIRHQLANX-HHHXNRCGSA-N 401.550 6.166 0 1 HKAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2ccccc2-c2ccsc2)N1 962706313 XDUPILVLSVZYDG-RBUKOAKNSA-N 421.415 5.261 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCc2ccccc2)(c2cccc(C)c2C)N1 962938886 AEBOOLJZWQNKRY-RNWIMVQKSA-N 408.589 6.585 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)C(Cc2ccc(C)cc2)(Cc2ccc(C)cc2)N1 962949737 QNUHUGFIQXKUNJ-DEOSSOPVSA-N 408.589 6.390 0 1 HKAF Cc1sc2c(c1C)CCN[C@H]2c1c(Cl)c2cc(Br)ccc2oc1=O 963010335 NJYALLRJOWKJLP-INIZCTEOSA-N 424.747 5.122 0 1 HKAF O=C(COc1ccc(-c2ccccc2)cc1)Nc1cccc(-c2nc3ncccc3o2)c1 1857547719 RYSQDBURUZADDZ-UHFFFAOYSA-N 421.456 5.574 0 1 HKAF Cc1cc(NC(=O)Nc2ccccc2Cl)ccc1OCc1nc2ccccc2s1 1857568593 DRJCBQZPESBMOD-UHFFFAOYSA-N 423.925 6.481 0 1 HKAF Cn1c(N2CCc3c([nH]c4ccc(Cl)cc34)C2)nc2ccc(C(F)(F)F)cc21 1857616780 IQRHVAZAFHEMKI-UHFFFAOYSA-N 404.823 5.290 0 1 HKAF COc1ccc(-c2csc(N(C(C)=O)c3ccc4ccccc4n3)n2)cc1OC 1857628231 ACYOFEGTIYJWGV-UHFFFAOYSA-N 405.479 5.060 0 1 HKAF CC1=C[C@H](CNC(C)C)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(N(C)C)cc2)o1 2356301129 VWPSYSIVFLNQOP-QZNHQXDQSA-N 410.606 5.198 0 1 HKAF CC[C@]12CCCN3CC[C@]4(c5ccc(OC)c(O)c5N(c5ccccc5)[C@H]4CC1)[C@@H]32 2356329664 JTXSASOKPOYSFV-CPPMQADQSA-N 404.554 5.217 0 1 HKAF CC[C@]12CCCN3CC[C@]4(c5ccc(OC)c(O)c5N(c5ccccc5)[C@H]4CC1)[C@H]32 2356329665 JTXSASOKPOYSFV-XDWXJERXSA-N 404.554 5.217 0 1 HKAF CC(=CCc1cc(C(=O)O)ccc1O)CCC1=C(C)CC[C@H]2C(C)(C)CCC[C@]12C 2356600620 RIYHRKNIDKXDII-RPLLCQBOSA-N 410.598 7.302 0 1 HKAF CC1=C(C(C)C)[C@H]1C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356615458 HBUXJBGKOKXRBP-SAINAVAYSA-N 410.686 7.555 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356630988 MHYKVQQPBSKDET-KKUGEXSCSA-N 418.706 6.830 0 1 HKAF CCC(Br)=CC=CC[C@@H]1C[C@@H]2O[C@H](C=C=CBr)C[C@H]2O1 2356792799 GURBJGFKZHKTEZ-ZSELLBGZSA-N 404.142 5.000 0 1 HKAF C[C@@]1(Oc2ccccc2-c2ccno2)CCN(Cc2ccc(-c3ccccc3)o2)C1 61926731 HSAGNVRDYXKSAS-RUZDIDTESA-N 400.478 5.645 0 3 HKAF COc1cc(OC)c2c(c1-c1ccc(OC)c3c(OC)cc(C)cc13)C[C@H](C)N[C@@H]2C 13359116 DVVAMMKTYAWPGW-JKSUJKDBSA-N 421.537 5.445 0 1 HKAF biogenic Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(CCC(=O)O)cc1 13489472 MAJOKGVPWQXGOQ-UHFFFAOYSA-N 421.440 5.734 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(C(F)(F)F)cc1)Oc1ccccc1-3 13777105 NRCVRALBQJXGMB-DEOSSOPVSA-N 421.462 7.462 0 1 HKAF Cc1cc(C)cc(-c2[nH]c3ccccc3c2CCNCCCCCc2cccnc2)c1 26019231 QNSRLZXZYNSAFH-UHFFFAOYSA-N 411.593 6.392 0 1 HKAF Fc1ccc(CCN2CCN3C[C@@H]2CC[C@@H]3C(c2ccccc2)c2ccccc2)cc1 28459899 ASCHJKMZVWSSIF-RRPNLBNLSA-N 414.568 5.349 0 1 HKAF Cc1cccc(-c2ccc3c(c2)c(CC(N)=O)cn3Cc2cccc(C(F)(F)F)c2)c1 28888159 UTJATDJAUULHCS-UHFFFAOYSA-N 422.450 5.712 0 1 HKAF CCN1CCC[C@@H](Nc2nc(Nc3ccc(C(F)(F)F)cc3)c3ccccc3n2)C1 29204069 WRFFHSMBQZLHPD-QGZVFWFLSA-N 415.463 5.288 0 1 HKAF C[C@H](CCCC(C)(C)N)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 29346361 PXBRKHPZKBDNFZ-NBYCXFSTSA-N 401.679 6.470 0 1 HKAF CC(C)(C)CCc1cc(C(F)(F)F)ccc1CNC(=O)Nc1cccc2[nH]ncc12 49112913 FBQUVJYWWSIYAC-UHFFFAOYSA-N 418.463 5.882 0 1 HKAF CC1CCN(Cc2cccc(-c3nc(-c4cccc(Cl)c4Cl)c[nH]3)c2)CC1 66258664 XIGHDEUVIJYUSC-UHFFFAOYSA-N 400.353 6.282 0 1 HKAF COc1cc2nc(N3CCCCCC3)nc(NC[C@@H](C)c3ccccc3)c2cc1OC 82127048 TUZYQBGRDLTBTE-GOSISDBHSA-N 420.557 5.243 0 1 HKAF CC(C)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC(C)(C)C)c2cccnc2)cc1 95595485 AZSKMWDSWHSDHV-JOCHJYFZSA-N 419.525 5.101 0 1 HKAF O[C@H](C[C@H]1CCCCN1)c1cc(Oc2ccc(Cl)cc2)nc2ccc(Cl)cc12 169334321 SMKVAEJSDUSUOF-IIBYNOLFSA-N 417.336 5.900 0 1 HKAF COc1ccccc1[C@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(F)cc1 169358871 JWESMYAXISKMKG-MQSCRBSSSA-N 424.472 5.679 0 1 HKAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccc(SC)cc2)cc1 169359809 VBCBQYQOZQQZBS-NNMGAELESA-N 405.563 5.115 0 1 HKAF CC1=Nc2cc(C)nn2[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1ncnn1C1CCC1 169729624 HDABJNIYHUUBAF-RBUKOAKNSA-N 415.328 5.294 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2cccc(Cl)c2)cc1)C3 195249393 FNNDPKKFONPQIL-LKMJOLFHSA-N 421.968 5.684 0 1 HKAF C[C@@H](Cc1ccc(F)cc1)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 221708643 OARQWQUBCPLSIK-FGTMMUONSA-N 408.557 7.258 0 1 HKAF CC[C@H](C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 261173137 UGPMJKXBWQUZNC-ONTIZHBOSA-N 410.602 5.723 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2c(C)cnc(Cl)c2[nH]1 586981336 IJAFFTDXKBXNJZ-UHFFFAOYSA-N 422.754 6.308 0 1 HKAF O=C1c2ccccc2-c2cc([C@H]3CC=C(Br)CC3)nc3ccc(O)c1c23 586985928 MJBUJXODWPNLAX-LBPRGKRZSA-N 406.279 5.698 0 1 HKAF Cc1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2cc1Cl 587068606 VXOUIFOVAZZOAC-UHFFFAOYSA-N 409.276 6.291 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cccc(C(N)=O)c2[nH]1 587072897 ZOFOJEMLBQNJGL-ZPGCQJFOSA-N 400.309 5.335 0 1 HKAF Cc1c(C2(c3ccccc3)CCNCC2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587095766 AENSKOCQFLZFJG-UHFFFAOYSA-N 418.540 5.733 0 1 HKAF CCOC(=O)[C@H](Cc1ccccc1C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106270 KNIUJLOINPLUGZ-HSZRJFAPSA-N 421.496 5.644 0 1 HKAF Fc1cnc(Cl)c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)[nH]c12 587114394 SCIOKKQTMOQREB-UHFFFAOYSA-N 407.754 6.229 0 1 HKAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587163340 OTCDTRVGKPHPFX-UHFFFAOYSA-N 420.753 5.014 0 1 HKAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(C)cc1 587399804 MJAXTTAJWWZJDE-XMMPIXPASA-N 403.478 5.180 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1ccc(C(=O)O)cc1)CC2=O 587489525 NSKYPECOLSNRCC-QHCPKHFHSA-N 402.446 5.416 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccsc3C(=O)OC)o1)CC2=O 587494471 LYCYNFNXUPFMLG-LJQANCHMSA-N 412.463 5.159 0 1 HKAF O=C1C[C@](c2ccccc2)(c2ccc(OC(F)F)cc2)Oc2c1ccc1c2CCCC1 587507176 ONTDXZNXLQTSNC-SANMLTNESA-N 420.455 6.076 0 1 HKAF CC[C@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543949 DAPGXJVGKSTPJP-SIKLNZKXSA-N 414.379 5.678 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(OC(F)(F)F)c1 587553653 GFBZYITUQRWEOP-YLJYHZDGSA-N 420.314 5.133 0 1 HKAF CCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC 587599753 ZUEIBKYBCPSDSM-RDGATRHJSA-N 420.461 5.283 0 1 HKAF Cc1cccc(-c2csc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)c1 587616284 ZVILWDNDQJMJQE-NZQKXSOJSA-N 415.470 5.527 0 1 HKAF Cc1cc(Cl)cc2c(Sc3ncc(CO)n3C)c(-c3ccc(F)cc3)[nH]c12 587624385 IWPBVSVOEJZZOU-UHFFFAOYSA-N 401.894 5.313 0 1 HKAF CC(C)(C)OC(=O)Nc1c(C2CC2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625510 IXISYMHMICOGPZ-UHFFFAOYSA-N 408.342 6.430 0 1 HKAF Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587678047 MUJNFEJHOKWIEV-BMLIUANNSA-N 413.128 5.283 0 1 HKAF Cc1cc(Br)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587680841 QQKMTBQAWHIKMM-BMLIUANNSA-N 413.128 5.283 0 1 HKAF Cc1cc2c(cc1Cl)[C@@]1(C=CO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587692669 BMFJOJPAMZOSBN-NSPYISDASA-N 408.698 5.234 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(O)c(Cl)c2)N1 587695307 RGNUBJSHTOFOBF-NZFNHWASSA-N 405.094 5.224 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3cccc(Cl)c3)no2)N1 587704483 UWVQOOFRJCZJIS-OVWNDWIMSA-N 421.697 5.520 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Cl)c2F)(C2CC2)N1 587725983 HCRBXBJKHNXWOL-OVWNDWIMSA-N 412.705 5.569 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2Br)N1 587729597 WCLIOKBUIDMOHB-ZKANADHPSA-N 417.091 5.113 0 1 HKAF Cc1cc(C)cc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587753465 JBWYJMNVNMHMNW-IVZQSRNASA-N 413.334 5.619 0 1 HKAF CC(C)n1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587756874 MOOVNZMGGQWLDX-LRTDBIEQSA-N 401.323 5.747 0 1 HKAF Cc1oc(-c2ccccc2)nc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587773424 ILETUEWAAPYLRS-GTJPDFRWSA-N 415.306 5.349 0 1 HKAF Cc1cccnc1[C@@H]1CCC[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587774510 VYJYAOVDFOYQGY-CMPZQBNXSA-N 403.339 5.379 0 1 HKAF Fc1cc2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2cc1-n1cccn1 587784988 XFRDRBXAYQVNBT-XFXZXTDPSA-N 410.452 5.637 0 1 HKAF C/C=C\[C@]1(C2=C(C)C=CCC2(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587815908 RBZXMIMNGVNWOW-GMJBXRLLSA-N 404.367 6.196 0 1 HKAF O=C(OCc1ccccc1)N1CCC[C@@H](c2nc(-c3cc(F)ccc3F)cs2)C1 587921944 DBTVIVUMSCKRDQ-MRXNPFEDSA-N 414.477 5.605 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cc2)cc1OC 587929554 WQMRCPVSQBCGEO-UHFFFAOYSA-N 410.376 5.236 0 1 HKAF Cn1c(C2CC2)cc2ccc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)cc21 653717439 HAFNACMEJSUIQK-UHFFFAOYSA-N 404.897 5.439 0 1 HKAF CCOC(=O)CC[C@]1(c2c(C)c(C)c(C)c(C)c2C)NCCc2ccc(F)c(C)c21 962094682 UNSURGVGHDHORC-AREMUKBSSA-N 411.561 5.409 0 1 HKAF C[C@H](OC(=O)C[C@@]1(C)c2cccc(F)c2CCN1[C@@H]1CCSC1)c1ccccc1 962696823 GWTLXZDGCCURFB-PDOGEWKWSA-N 413.558 5.099 0 1 HKAF CCCCCn1cccc1[C@@]1(c2cccc3ccccc23)NCCc2c(C)ccnc21 963068389 KPQRCINIFREJOX-MUUNZHRXSA-N 409.577 5.973 0 1 HKAF COc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)c2ccc(F)cc2C[C@@H]2CCCN21 963103849 OFOFKUCGGWYSAP-IDISGSTGSA-N 413.492 5.532 0 1 HKAF Cc1c(F)cc([C@H]2c3cccc(Br)c3CCN2C)cc1Br 963288508 CMEXIEFHZJHVQG-KRWDZBQOSA-N 413.128 5.236 0 1 HKAF C[C@](O)(CSc1ccccc1C(F)(F)F)C(=O)Nc1ccc(C(F)(F)F)cc1 1857600874 HRQISVWTGGMPCL-INIZCTEOSA-N 423.378 5.206 0 1 HKAF CC(C)[C@H](NC(=O)OCc1ccccc1)[P@@](=O)(Oc1ccccc1)C(C)(C)C 1911572562 KUGCXRQVZDZMNY-PIIWDFAUSA-N 403.459 6.051 0 1 HKAF O=C(Nc1ccc(C2(C(=O)Nc3ccc(F)cc3)CCC2)cc1)c1cccc(Cl)c1 1911573535 MPEDMZJUZYVLNG-UHFFFAOYSA-N 422.887 5.792 0 1 HKAF COc1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(C(C)C)cc4)no3)C2)cc1 1360220 FKEBCBMNYHEOPL-LJQANCHMSA-N 420.513 5.280 0 3 HKAF Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2cccc(F)c2)n1 8672331 ZHFZNSQNUXYTGP-UHFFFAOYSA-N 410.499 5.710 0 3 HKAF aggregator Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(OC(F)(F)F)cc1 13813498 FOJQZFLJSXPPEG-UHFFFAOYSA-N 410.391 6.642 0 3 HKAF aggregator COC(=O)C/C=C/[C@@H](C)[C@@H](OCc1cccc(-c2ccccc2)c1)C1CCCCC1 7992065 JNZGOIOYRDXORR-IOORJIKKSA-N 406.566 6.575 0 1 HKAF O=C(O)C1=C(C(=O)Nc2ccc(-c3ccc(Br)cc3)cc2Cl)CCC1 13534114 OKJWIVJPECTVBF-UHFFFAOYSA-N 420.690 5.273 0 1 HKAF CC(C)c1ccc(O[C@@](C)(CNSC(F)(F)F)Cc2ccc(Cl)cc2)cc1 13604888 SBDSAEQPTHHXDG-LJQANCHMSA-N 417.924 6.601 0 1 HKAF O[C@H](/C=C1\C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 13901721 WXLTVTMEQSZESS-WCWZFIMYSA-N 413.536 5.712 0 1 HKAF CCc1cc(-c2oncc2-c2ccc(OC)cc2)c(OCc2ccccc2)cc1OC 38319732 NCIIKBHCZPIMMS-UHFFFAOYSA-N 415.489 6.167 0 1 HKAF COc1ccc(-c2nn(-c3ccccc3)cc2-c2oc3ccccc3c(=O)c2O)cc1 53277640 FHGRAUOGWFFTLL-UHFFFAOYSA-N 410.429 5.027 0 1 HKAF O=C(N[C@H](c1ccc(Cl)c(Cl)c1)C1CCCCC1)c1ccc2cnccc2c1 72178910 ICGQHMCGZOGFPK-QFIPXVFZSA-N 413.348 6.593 0 1 HKAF CCCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F 82150417 JELQPQNUDRRWPB-MNDZRTMASA-N 424.564 5.295 0 1 HKAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NC3CCCC3)nc2-c2ccccc2F)C1 82151404 XXIISDSEGFZKSR-IRXDYDNUSA-N 410.537 5.288 0 1 HKAF CCCCCc1nc(-c2cnc(NCc3ccc(C)o3)nc2-c2ccco2)oc1C 82165338 UUDYJTYGJPVXFR-UHFFFAOYSA-N 406.486 5.946 0 1 HKAF Cc1ccccc1-c1nc(NC2CCCCC2)ncc1-c1nc(-c2ccccc2)c(C)o1 82177168 GCIFUGYMUPCZBM-UHFFFAOYSA-N 424.548 6.827 0 1 HKAF O=C(O)C1=C[C@H](O)[C@@H]2C[C@H]3[C@H](CCC/C=C/C=C/c4ccccc4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 84688543 YUFZJFBMKNIVGN-SQULQPEYSA-N 402.534 5.112 0 1 HKAF O=c1oc(-c2ccccc2)c(I)c2sc3c(c12)CCCC3 84705629 MMRIXBKCXRLRPZ-UHFFFAOYSA-N 408.260 5.005 0 1 HKAF COCCCNc1cc(-c2oc3ccccc3c(=O)c2-c2ccc(F)cc2)ccn1 84724931 FIANCLIRVGODNB-UHFFFAOYSA-N 404.441 5.110 0 1 HKAF Cc1csc(Nc2ncc(SCc3ccccc3)cc2OCc2ccccc2)n1 96284847 QFFBLBBPLLDRTA-UHFFFAOYSA-N 419.575 6.461 0 1 HKAF Clc1ccc(Nc2nc3ccccc3c3[nH]c([C@H]4C[C@H]5CC[C@H]4C5)nc23)cc1Cl 101658678 VHLCNCNFQWKRAL-XEZPLFJOSA-N 423.347 7.065 0 1 HKAF Cc1ccc2nc(Nn3c(-c4ccc(Cl)cc4)nnc3-c3cccnc3)sc2c1 103196078 PWOLMRUGEQILGL-UHFFFAOYSA-N 418.913 5.454 0 1 HKAF COc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccc4ccccc4c32)c1OC 103866079 QYLGNCQDTTXGMS-XMMPIXPASA-N 413.517 6.707 0 1 HKAF C[C@H]1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2c1c1ccccc1n2Cc1ccccc1 105478748 AONNCUFLRUFGMU-QRJOEMBSSA-N 420.512 5.470 0 1 HKAF Cc1ccc(-c2c([C@H](CC(C)C)C(=O)O)c(C)nc3sc4c(c23)CCCC4)cc1 113123673 HQGFGJDMWGGDGZ-IBGZPJMESA-N 407.579 6.673 0 1 HKAF Clc1ccc([C@@]23CCN(Cc4cc(-c5ccc6ncnn6c5)ccc42)C3)cc1Cl 114350942 YZTRIEWOXRNWOV-QHCPKHFHSA-N 421.331 5.209 0 1 HKAF Cc1nc(C)c(CNc2cc([C@@H](C)C[C@@H]3C[C@H]3c3ccccn3)nc3ccnn23)s1 114812888 OMKOLDKFPQMPHA-BMGDILEWSA-N 418.570 5.107 0 1 HKAF Cc1cc(NC(=O)c2cc(Cl)c(OC(C)C)c(OC(C)C)c2)ccc1C(=O)O 116229068 FEAXEVVDRJEOMX-UHFFFAOYSA-N 405.878 5.173 0 1 HKAF CC(C)=CCC/C(C)=C/CC[C@@]1(C)OC(=O)[C@@H](C(=O)c2ccc(O)cc2O)[C@@H]1C 238771306 PUFZTKZBPIVBQR-YLKHTABASA-N 400.515 5.321 0 1 HKAF O=C(Oc1ccccc1)[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 253632612 BTRDJLBCRUKQNT-JHSNUXTESA-N 414.332 5.465 0 1 HKAF CC(C)=CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C 255282652 XZEUYTKSAYNYPK-HYTSJNJYSA-N 412.702 7.779 0 1 HKAF Cc1ccc(-c2nc3sc(Cc4ccc(Cl)cc4)nn3c2Br)cc1 299825917 CZEQISJLNCJKHL-UHFFFAOYSA-N 418.747 5.773 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)C4=CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 299850312 QCVKYDNFSXDPSW-LNJOPQAZSA-N 414.630 5.714 0 1 HKAF Cc1c(C2(c3ccccc3)CCNCC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990186 WCXUMKMOWHPBDV-UHFFFAOYSA-N 420.512 5.130 0 1 HKAF CC1(C)[C@H]2CC[C@]3(C2)[C@H]1c1nc2ccc(O)c4c2c(c1CC3(C)C)-c1ccccc1C4=O 586991341 TYTGGHDMTRKWSZ-NBDIOCKLSA-N 423.556 6.644 0 1 HKAF Cc1cc2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2c(C)n1 587017669 OTIYQLDARYQLGV-UHFFFAOYSA-N 405.346 5.113 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)c(F)c(F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 587027841 STRSGOMZEZMJLR-RCBQFDQVSA-N 419.472 5.117 0 1 HKAF O=C(O)c1cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2cc1F 587049743 LBDYZHAKGALPRX-UHFFFAOYSA-N 416.839 6.541 0 1 HKAF CCc1cc(OCc2nc3cc(Br)c(F)c(F)c3[nH]2)ccc1Cl 587052997 XOFDYHZUBDHRGN-UHFFFAOYSA-N 401.638 5.398 0 1 HKAF C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cnnc(O)c2[nH]1 587057482 XMRUGDPVZFSBFQ-JTQLQIEISA-N 417.252 5.298 0 1 HKAF Nc1ccc(-c2ccc3[nH]c(-c4cc(-c5cccc(Cl)c5)[nH]n4)nc3c2)cc1N 587068353 SJAKLSCIYAFNOD-UHFFFAOYSA-N 400.873 5.105 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1ccc(SC(F)F)cc1CC3 587103596 LEGCSLIRFVWBNJ-UHFFFAOYSA-N 415.464 6.527 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](c1ccc(Cl)c(Cl)c1)CC3 587103693 JRDOULKOWPJCGH-CQSZACIVSA-N 416.307 6.831 0 1 HKAF O=C(O)Cc1c(-c2ccc(Cl)c(F)c2)nc2cccc3c2c1-c1ccccc1C3=O 587104533 YGXNYCSDNOOBFN-UHFFFAOYSA-N 417.823 5.533 0 1 HKAF COC(=O)c1ccc2[nH]cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2c1 587108286 ZAJMWNZVZQARFB-UHFFFAOYSA-N 404.425 5.381 0 1 HKAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587112579 LLOKZKAFBGNYQC-QGZVFWFLSA-N 416.230 5.288 0 1 HKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(F)c2[nH]1 587114267 RPEHNLVUBNLAOP-VIFPVBQESA-N 401.201 5.830 0 1 HKAF CC(C)Oc1ccc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1 587129384 IXENLBIFPZSSTK-QMMMGPOBSA-N 404.795 5.685 0 1 HKAF Oc1nc2cc3nc([C@H](Oc4ccc(F)cc4Cl)c4ccccc4)[nH]c3cc2[nH]1 587158174 GGLDHXZFAZHQQY-LJQANCHMSA-N 408.820 5.106 0 1 HKAF O=C(O)c1cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1F 587159612 QVNHBKZDNONCRQ-IBGZPJMESA-N 414.795 5.361 0 1 HKAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2cc3c4c(cccc4n2)CC3)cc1 587216891 PPCQIKCRXUMQSQ-UHFFFAOYSA-N 400.503 5.110 0 1 HKAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(Cl)c(F)cc3[nH]2)c(O)c1 587241237 YEINLDMRNPLAOF-UHFFFAOYSA-N 409.848 5.218 0 1 HKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 587242454 TZOSHWLGNNYORS-UHFFFAOYSA-N 411.505 5.836 0 1 HKAF C[C@@]1(c2c(F)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334644 PFSAOLVQKLFLQT-SIKLNZKXSA-N 400.808 5.598 0 1 HKAF COc1ccccc1[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355564 YLPCPHFAZAZZHF-BVAGGSTKSA-N 420.480 5.840 0 1 HKAF Cc1ccc2c(c1)[C@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356328 JIEPFEPLRDVJHX-NOZRDPDXSA-N 404.437 5.267 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)/C(=C/c2ccccc2)CCC3)c1 587367448 QPSVFICUSJOFJG-HEHNFIMWSA-N 417.508 7.534 0 1 HKAF C[C@]1(c2cc3sccc3s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587372290 ILMKVJVYQFNCGV-IFMALSPDSA-N 410.491 6.082 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)/C(=C\c2ccc(C(C)(C)C)cc2)N2CCC1CC2 587394141 CXBRBSSPAXQHSD-JYXZFHPPSA-N 416.565 5.345 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc(Br)n4)cc1)[C@@H](C2)C3=O 587416493 AJQDCVZTQBGUGZ-AOMKIAJQSA-N 422.278 5.008 0 1 HKAF COc1ccc(Sc2ccccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587453886 VAWFGOULFUMFSA-DVECYGJZSA-N 404.487 5.344 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1ccc(C)cc1)(c1ccc(Cl)cc1)CC2=O 587459467 DOPXRJWTLHJUFM-SANMLTNESA-N 420.936 6.410 0 1 HKAF O=C1C[C@@](COCc2ccccc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587504076 MGABSFNELPZYGX-HHHXNRCGSA-N 416.492 5.782 0 1 HKAF CCN1CCC[C@@H]1Cn1c(C)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587510682 CEDGPAWXQNFMBI-CJFMBICVSA-N 406.570 5.175 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512569 YSQPIMDICYUMJU-FYYLOGMGSA-N 421.537 5.035 0 1 HKAF Cc1cc(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl 587548770 XUISXSOIKJTNFV-UWJYYQICSA-N 401.245 5.710 0 1 HKAF COc1ccccc1C[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587599634 HCWGSCDGPIHTQI-QFMFQJCFSA-N 416.473 5.144 0 1 HKAF Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 587678041 MSSZALBXUREBAQ-BMLIUANNSA-N 413.128 5.283 0 1 HKAF Cc1cc(Cl)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1Cl 587691351 DWDHCUDIRPCQTA-XLFHBGCDSA-N 403.122 5.827 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)c(C(F)(F)F)c2)N1 587713115 RQAJXYDMJQXPSU-XLFHBGCDSA-N 420.219 5.544 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)c3ccccc23)N1 587732580 NDGROETYWVUATH-LAJNKCICSA-N 402.282 5.678 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(F)cc2)N1 587733480 LQWOYLLQVYFGSG-JLCFBVMHSA-N 414.293 5.553 0 1 HKAF CCc1ccccc1-n1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587756175 REDPCAGVLNDOGW-PEBXRYMYSA-N 413.334 5.565 0 1 HKAF Cc1ccc(C)c([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587813012 ACRRSSZZTOLSEH-OSPHWJPCSA-N 424.357 6.031 0 1 HKAF Cc1ccc(-c2csc(-c3ccccc3CN3C(=O)c4ccccc4C3=O)n2)cc1C 587921260 UKNYYXZPROOXKE-UHFFFAOYSA-N 424.525 5.890 0 1 HKAF Cc1ccoc1CNc1nc(Oc2ccc(Cl)cc2Cl)nc2ccccc12 653766984 XBMRTVBGHPNZJF-UHFFFAOYSA-N 400.265 6.242 0 1 HKAF C[C@@]1(c2c(F)cc(C(F)(F)F)cc2F)NCCc2cccc(-c3ccccc3)c21 962672082 VRDWZTSSIDRZFH-JOCHJYFZSA-N 403.394 6.060 0 1 HKAF Cc1cccc(-n2nc(C)c([C@H]3c4cccc(F)c4CCN3[C@H]3CCSC3)c2C)c1 962693710 CUMLHHMFLXMPRP-NBGIEHNGSA-N 421.585 5.390 0 1 HKAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@]2(c1cccc(C(F)(F)F)c1)C1CC1 962698743 JLTDJISIJZQCMN-AVRDEDQJSA-N 421.503 5.862 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1ccccc1OCc1cnc(Cl)s1 963235553 WYBQZRRMAJMKDB-OPAMFIHVSA-N 412.986 6.122 0 1 HKAF Oc1ccc2c(c1)[C@@](c1ccc(Cl)cc1)(c1cnc(-c3ccccc3)s1)NCC2 963339733 BEDUHPSVZVFQMK-DEOSSOPVSA-N 418.949 5.607 0 1 HKAF c1cnc2cc(OCCCN3CCN(c4cccc5sccc45)CC3)ccc2c1 1772590529 LPOWYKJTFOKPSK-UHFFFAOYSA-N 403.551 5.041 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@]4(O)C(=O)CCC[C@]4(C)[C@H]3CC[C@@]21C 1857764251 VRUYTUJLHDKGDU-SLZFMAHBSA-N 418.662 5.763 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)CC[C@H](O)[C@]4(C)[C@H]3CC[C@]12C 2356414859 SXMHCACYHNPYIF-LYWXVEBZSA-N 402.663 6.360 0 1 HKAF COc1cc2c(c(OC)c1-c1ccc3cc(C)cc(OC)c3c1O)C(C)=N[C@H](C)C2 2356439193 HOWXDARSRVLPPM-CQSZACIVSA-N 405.494 5.300 0 1 HKAF CC[C@@H](C)C=CC=CCc1ccc(C(C)(C)c2ccc(CC=CC=C[C@H](C)CC)[nH]2)[nH]1 2356464170 AFEISJXZWHBJNX-DNQXCXABSA-N 418.669 8.071 0 1 HKAF CC1=C(C[C@@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)[C@@H]1C(C)C 2356533695 POTOXHDOALIWIW-LQURLFHSSA-N 410.686 7.555 0 1 HKAF CC1=CCC[C@]23C[C@@]24CC[C@]2(C)[C@H]([C@H](C)C[C@H](O)CC(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13 2356535775 JLOKHLVFHLMHMQ-BXMVUWAASA-N 412.702 7.779 0 1 HKAF C[C@H]1CCC([C@@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5[C@H](O)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1 2356540546 BLVNKXGGFFUMSS-JJJJJKJTSA-N 413.646 5.404 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356618182 IISBZUQIQWKVMZ-IAWKDXSJSA-N 414.718 7.881 0 1 HKAF C[C@@H]1C2=CC[C@@H]3[C@](C)(CC[C@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]34C)[C@H]2CC[C@@H]1O 2356631793 OLWSWWUSGLHFEB-NZVFAMNDSA-N 412.702 7.779 0 1 HKAF CC(=O)O[C@@H]1C[C@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)[C@H]2CCc3ccoc3[C@]12C 2356795556 MFAXGAMFHFHMSS-QXJJVEMASA-N 412.614 6.684 0 1 HKAF CC[C@H](C)NC(=O)c1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CCCCC1 736752 SCHLTXWIUIDVOM-INIZCTEOSA-N 413.949 5.111 0 1 HKAF O=C(c1ccccc1)N(CCC1CCN(Cc2ccccc2)CC1)Cc1ccccc1 3814253 VFIHDJRABVIPMZ-UHFFFAOYSA-N 412.577 5.631 0 1 HKAF Brc1ccc2c(c1)[C@H]1[C@@H](CO2)C(c2ccccc2)=NN1c1ccccc1 5823922 AHEUPDMAZMYINJ-UGKGYDQZSA-N 405.295 5.423 0 1 HKAF Cc1cc(C)c(Cn2c(C)c(CNCCCc3ccccc3)c(C(=O)O)c2C)c(C)c1 8611095 ZQDOVZMXXMLYSK-UHFFFAOYSA-N 418.581 5.499 0 1 HKAF COc1ccc([C@@H](Cc2ccc(C(=O)O)cc2)c2ccccc2)cc1OC1CCCC1 13441966 ZTWFYOZXHYHJBN-DEOSSOPVSA-N 416.517 6.089 0 1 HKAF CCCN(CCCOC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12 13553434 WSBKQPWJUUGCNS-UHFFFAOYSA-N 421.372 5.503 0 1 HKAF CC(C)(C)c1cc(COC[C@@H](c2ccccc2)N2CCNCC2)cc(C(C)(C)C)c1 22926789 SKFQAUXRVOPVSQ-VWLOTQADSA-N 408.630 5.445 0 1 HKAF CC/C(=C(/c1ccccc1)c1cccc(OC(C)=O)c1)c1cccc(OC(C)=O)c1 26014936 KRVOETGNAOWQLC-OCEACIFDSA-N 400.474 5.906 0 1 HKAF CN(C(=O)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1cccc(Cl)c1 28826699 AAMQCUQQLINFHV-UHFFFAOYSA-N 422.790 6.181 0 1 HKAF Cc1ccc([C@@H]2CC(=O)Oc3ccc4cc(Br)ccc4c32)cc1Cl 29135973 NSSVWDQNBWBCFZ-INIZCTEOSA-N 401.687 6.005 0 1 HKAF CCCCSCCCc1cc([C@H](CC)[C@H](CC)c2ccc(O)cc2)ccc1O 29391495 VGGNONNHCHUDLR-RPWUZVMVSA-N 400.628 7.251 0 1 HKAF C[C@H](CCCc1cccnc1)NC(=O)c1ccc(-c2ccccc2)c(-c2ccccc2)c1 29484002 RWQUNPYXECPYEB-JOCHJYFZSA-N 420.556 6.557 0 1 HKAF COc1ccc2cc(-c3ccc(OC(F)(F)F)cc3)c(=O)oc2c1CCC(C)C 64549426 PAURPKFGYAMSRI-UHFFFAOYSA-N 406.400 5.956 0 1 HKAF COCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2C)n1 82177697 UJPLOFLMMLXVPT-UHFFFAOYSA-N 402.523 5.301 0 1 HKAF Cc1ccc(C)c(-c2cccc([C@@H]3COc4cc5c(cc4O3)OC[C@H]5CC(=O)O)c2)c1 96269860 KLITXUVWSOHBEM-CLOONOSVSA-N 416.473 5.434 0 1 HKAF Nc1nc(-c2ccc(-n3ccnc3)cc2)cc(-c2ccc(Cl)c(Cl)c2Cl)n1 98083439 BKXCVGRRBCAWIM-UHFFFAOYSA-N 416.699 5.539 0 1 HKAF CC1=NN=C(N)N/C1=C/[C@H](Sc1ccc(Cl)cc1)c1c(O)ccc2ccccc12 102986472 PSDAYKPTEPNXQE-YWFITGJYSA-N 422.941 5.210 0 1 HKAF CC1=C(C(=O)Nc2ncccc2C)[C@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N1 104699607 NMHWALIYKBFATR-NRFANRHFSA-N 419.500 5.612 0 1 HKAF CCCOc1ccc([C@@H]2[C@H](c3ccccc3)OC(=O)N2c2ccc3nc[nH]c3c2)cc1 116828913 BPNUFMWEIQORLP-RPWUZVMVSA-N 413.477 5.791 0 1 HKAF CNC[C@@H](c1ccc(-c2c(O)cc(C)c3[nH]c(=O)c4sccc4c23)cc1)C(C)C 165874655 WFMVDHKPGZGFJZ-GOSISDBHSA-N 406.551 5.383 0 1 HKAF O[C@@H](C[C@H]1CCCCN1)c1cc(-c2ccccc2)nc2c(C(F)(F)F)cccc12 169333480 ZJTKQLQPEGHTAA-IERDGZPVSA-N 400.444 5.486 0 1 HKAF Nc1cnc(-c2ccc(C3CCC3)c(OCc3cc(F)ccc3Cl)c2F)cn1 212120500 UZWICEJGLIRTQC-UHFFFAOYSA-N 401.844 5.504 0 1 HKAF O[C@@H](COc1cccc(-c2csc3ccccc23)c1)CN1CCc2ccccc2C1 219727665 YDCVKPYWYMUMJL-JOCHJYFZSA-N 415.558 5.366 0 1 HKAF CC(C)=C(C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 238736716 GYDFVHCETABLSQ-CNDFOAKRSA-N 414.718 8.025 0 1 HKAF CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)OC(CO)CO 238744368 UVLMLZSAFTZAMD-JDPCYWKWSA-N 402.575 5.361 0 1 HKAF CCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@]4(C)CC[C@H]32)C1 255215262 HHENOUDBWKNPAB-XOZDTIMBSA-N 400.603 6.401 0 1 HKAF Clc1cccc(Cl)c1-c1nc2ccc(Nc3ccnc4ccccc34)cc2[nH]1 299826894 VZIWMRUUSPRHGL-UHFFFAOYSA-N 405.288 6.829 0 1 HKAF CSc1cccc(N=c2[nH]c(-c3cc(Cl)cc(C(F)(F)F)c3)cs2)c1 473088488 OJQKMIUPVZBOLQ-UHFFFAOYSA-N 400.878 6.370 0 1 HKAF CC(C)COc1cc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586883879 MLJKBKPZSLHXCP-BOLFOIPXSA-N 403.364 5.828 0 1 HKAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 586931019 SAUPGYIUTONGLA-UHFFFAOYSA-N 421.522 5.053 0 1 HKAF N[C@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586984712 UDQMAJDOMDWFEW-GFCCVEGCSA-N 418.644 5.240 0 1 HKAF Cc1cc(F)c2[nH]c(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)nc2c1 587020606 DHPHIMKVUJUAEP-UHFFFAOYSA-N 401.470 5.940 0 1 HKAF COc1cccc(-c2ccc(-c3nc4cccc(Br)c4[nH]3)c(Cl)c2)c1 587052601 XRPVPOGKSRUZDU-UHFFFAOYSA-N 413.702 6.321 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(F)c(F)cc2[nH]1 587086354 HDUKVSSKSSGJPJ-SREVYHEPSA-N 419.262 5.872 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@H](N1C[C@@H](C)C[C@@H](C)C1)CCC4)-c1ccccc1C2=O 587097403 OPRZPFHRRDWHQZ-SAHWJRBASA-N 410.561 6.110 0 1 HKAF COC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc2n1 587112446 MVAJYUMFSWYSPH-UHFFFAOYSA-N 413.355 5.223 0 1 HKAF C[C@H](CSc1ccc(F)cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 587170180 LJRCZODNISZVJW-MRVPVSSYSA-N 400.704 5.409 0 1 HKAF COc1ccc(NC(C)(C)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 587201492 ONNLWWURMJHXFM-UHFFFAOYSA-N 418.335 5.468 0 1 HKAF O=C(Nc1cc(Cl)ccc1Cl)N[C@@H]1CCc2nc3cccc4c3c(c2C1)CC4 587209194 JEGQDCIYLOMBOW-CQSZACIVSA-N 412.320 5.319 0 1 HKAF Cc1cc(COc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)c2ccccc2n1 587212216 MCUDBBRJOUDKGS-UHFFFAOYSA-N 402.497 6.436 0 1 HKAF CCCCC[C@@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330344 BJNVZECXNVYZKL-RSXGOPAZSA-N 419.496 5.948 0 1 HKAF C[C@@]1(c2ncccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331446 QJDODCRDEYRRJJ-WIYYLYMNSA-N 417.358 5.219 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCOc3cc(F)ccc32)[C@@H]1c1ccc(F)cc1 587340294 XSRQMWHZFUIGSF-ISKFKSNPSA-N 408.400 5.097 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c([nH]c(C)c2C(=O)O)CC3)c1 587364009 VQWRJCNTTRHPKI-UHFFFAOYSA-N 424.456 5.757 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)CCc1ccccc1N3C)CC2=O 587488570 PSWBIGNUJDJZQD-SANMLTNESA-N 413.517 5.918 0 1 HKAF Nc1ccc(Cl)cc1[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502188 IIUIREAPUYPGEU-RUZDIDTESA-N 421.899 5.849 0 1 HKAF O=C(O)CC[C@]1(c2ccc(Cl)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587509538 ZTPHYPGODDSIKM-JOCHJYFZSA-N 402.849 5.083 0 1 HKAF CC(C)Oc1ccc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545119 GUTZVLQGXFXWCR-OFNKIYASSA-N 410.853 5.536 0 1 HKAF C[C@H](c1ccc(C(F)(F)F)cc1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550393 VEPNHARISWGJLC-JMGHSTIFSA-N 414.379 5.545 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccccc1F 587567368 GZYAXYZOURSQSD-ZEQKJWHPSA-N 412.416 5.437 0 1 HKAF CC[C@H](OC)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587596251 QCXVXQRAAAPWGR-SWHJIRTISA-N 404.462 5.367 0 1 HKAF Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)(F)F)cc1 587621455 FZKOVOZMODOEKL-UHFFFAOYSA-N 422.204 5.527 0 1 HKAF O=C(c1ccc(Br)cc1)c1c(C(F)F)[nH]c2cc(Cl)c(F)cc12 587629199 FXODIPVUGMASHR-UHFFFAOYSA-N 402.597 5.892 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c([C@H](C(=O)O)c3ccc(Cl)cc3)c2c1 587639582 ACQAWNXEJUVDPF-QMHKHESXSA-N 417.936 7.218 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c2[nH]c2ccc(Cl)cc32)N1 587700739 SRTDCTPNZQOKAG-FVINQWEUSA-N 419.725 5.447 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(Cl)c(Cl)cc32)N1 587703731 ZLYJSNIZBXKSHD-YYSFKGJASA-N 415.133 5.619 0 1 HKAF Cc1ccc(C(F)(F)F)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587710952 IBHAIMFLNDRRMN-DYZYQPBXSA-N 402.229 5.539 0 1 HKAF Cc1c(F)ccc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n(C)c12 587728454 SIFMMKZPHJANHR-OVWNDWIMSA-N 405.286 5.151 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCSc3c(F)ccc(F)c32)N1 587737910 IEKIZPPYPOMNFN-DYBLOJMWSA-N 414.290 5.140 0 1 HKAF CCOc1nc2ccccc2cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587776158 BIPJPVJJBKNEQH-FKIZINRSSA-N 415.306 5.159 0 1 HKAF CCOc1cccc(OCC)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587803819 XZVFJNDCUSNYSD-ZSEKCTLFSA-N 422.338 5.183 0 1 HKAF CCCc1ccc([C@]2(C(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587809962 BQWDKQSRFFVVGW-NYHFZMIOSA-N 404.367 5.975 0 1 HKAF CCCCCc1ccc([C@]2(CC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587810949 DZHYEXIKBRNICS-HJPURHCSSA-N 418.394 6.509 0 1 HKAF CC(C)C/C=C(\c1ccccc1)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587821889 YLINRLILGLKXPU-WBMWLTQASA-N 402.351 6.293 0 1 HKAF CCc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)oc2ccccc12 587827851 LTZPQHJREHXMCM-XUSGNXJCSA-N 402.307 5.695 0 1 HKAF Cc1cc(C)c2c(c1)[C@@]1(CCCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587836132 RSFUPRMRVPNFHS-QKKBWIMNSA-N 404.323 5.155 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(SC)cc1 587866220 GSRXPGIAFZLNON-UHFFFAOYSA-N 406.429 5.378 0 1 HKAF COc1ccc2cc([C@@H](C)c3nc4ccc(OCc5ccccc5)cc4[nH]3)ccc2c1 587934016 FBFCJJRQWJWDEZ-GOSISDBHSA-N 408.501 6.456 0 1 HKAF COC(=O)c1ccc(-c2ccccc2[C@@H]2NCCc3ccc(F)c(C)c32)cc1Cl 962374546 LDGHARIDYKZKLZ-QHCPKHFHSA-N 409.888 5.476 0 1 HKAF CCOc1ccc(OC[C@@]2(C3CCCC3)N[C@@H](CC)Cc3c2[nH]c2ccccc32)cc1 962945674 JOYVGDYDJWHNQS-DCFHFQCYSA-N 418.581 5.955 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C[C@@H](C)CC(=O)O)(c2ccc(C)c(OC)c2)N1 962953159 KOWRGTHYVQRHLL-KGVVXCLESA-N 420.553 5.154 0 1 HKAF Clc1ccccc1Cn1cc([C@@H]2c3ccsc3CCN2Cc2cccnc2)cn1 962996314 PCIVWDKJLSQMPF-HSZRJFAPSA-N 420.969 5.189 0 1 HKAF CC(C)(C)C[C@]1(c2ncco2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963817170 KYSOFUPPJGMWGX-SANMLTNESA-N 415.537 5.560 0 1 HKAF CCCc1nc2c(Cl)cccc2n1Cc1ccc(-c2ccccc2C(N)=O)cc1 1857583502 BVEXQGDXQBHFFA-UHFFFAOYSA-N 403.913 5.456 0 1 HKAF CCCSc1nc(C)c(-c2ccnc(Nc3ccc(OC)cc3OC)n2)s1 1857633764 SXHGDQQJNLTAII-UHFFFAOYSA-N 402.545 5.171 0 1 HKAF Brc1ccccc1[C@@H]1CC(c2c[nH]c3ccccc23)=NN1c1ccccc1 1911573365 UEDNMOTXXYDEKH-QHCPKHFHSA-N 416.322 6.286 0 1 HKAF CC(C)CNC(=O)C=C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C=C[C@@H]1C[C@@H]1C 2356387437 SZYJBOHZBFNTMP-SDIYZTKGSA-N 407.642 5.708 0 1 HKAF C[C@H]1CCC([C@@H](C)[C@@H]2CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1 2356483594 QAGPPGDCPAPQLW-OFFQYDOUSA-N 413.646 5.692 0 1 HKAF COc1c2c(cc3occ(-c4ccc(OC=CC(C)C)cc4)c(=O)c13)OC(C)(C)C=C2 2356489726 HPZPFWXCCAZKRE-UHFFFAOYSA-N 418.489 6.201 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCC[C@@]1(C)CCc2c(C)c(O)cc(C)c2O1 2356627322 FGYKUFVNYVMTAM-NDEPHWFRSA-N 410.642 8.292 0 1 HKAF CO[C@@H]1CC(=O)[C@@H]2[C@@]34CC[C@@H]5[C@H](CCC(C)C)CCC[C@@H]5[C@@]3(C)[C@@](C)(CC4)[C@@]12O 2356846643 OPAUAZBACXZIPA-VKCYWZFSSA-N 402.619 5.390 0 1 HKAF CCCCCc1ccc(-c2cn(Cc3ccc(C(=O)c4ccccc4)cc3)nn2)cc1 15935277 GWIHQCKSEFZURR-UHFFFAOYSA-N 409.533 5.957 0 3 HKAF CCCCCCc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 3819497 VRAGHPQXFBYHBQ-UHFFFAOYSA-N 419.525 5.043 0 1 HKAF OCCc1ccc([C@]2(c3cccs3)C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)s1 26817263 IZEPCKLRFRANHV-FTBPSBKWSA-N 416.591 5.057 0 1 HKAF O=C(O)c1cccc2c(=O)cc(-c3ccc(/C=C/c4ccc5ccccc5n4)cc3)oc12 29229722 BXKLQYGWQGOBDG-GXDHUFHOSA-N 419.436 5.877 0 1 HKAF O=C(N[C@@H](Cc1ccc(O)cc1)c1cccc(O)c1)C(c1ccccc1)c1ccccc1 29404089 GFRBPPBSQYZLFG-SANMLTNESA-N 423.512 5.330 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCCCO 29409875 SBHFUZKUAOOTDV-GIGLTMMISA-N 400.691 9.021 0 1 HKAF C[C@@H](Oc1ccc2ncc([C@@H]3C[C@@H]3C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl 45373204 QACCVOJRKKIYFM-ONERCXAPSA-N 419.283 5.410 0 1 HKAF CCOP(=O)(OCC)OCCCCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1 59042456 FRLDWHDPSLYTJS-GOSISDBHSA-N 414.479 5.510 0 1 HKAF in-vivo CCCCCCC(C)(C)c1cc(OC)c([C@@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)c(OC)c1 72315135 OQIFPCMADBETAH-ZHCYEPILSA-N 414.630 7.061 0 1 HKAF c1ccc(CCn2c(-c3ccsc3)nc3c(NC4CCCCCC4)ncnc32)nc1 82190678 SNZRAATYXHULLX-UHFFFAOYSA-N 418.570 5.327 0 1 HKAF CC(C)C[C@H](Nc1nc(-c2ccc(C(C)C)cc2)cs1)C(=O)NCC(F)(F)F 82195961 LWMVSAWISMJCOU-INIZCTEOSA-N 413.509 5.439 0 1 HKAF Cc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@H]32)cc1 95561060 OHYAUCCFBSIOPM-QQJNOOCOSA-N 417.577 7.725 0 1 HKAF CC1=Nc2cc(C)nn2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1ncnn1C1CCC1 95588026 HDABJNIYHUUBAF-RTBURBONSA-N 415.328 5.294 0 1 HKAF C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 95919058 XYNPYHXGMWJBLV-IESVHSLQSA-N 415.662 5.367 0 1 HKAF biogenic,in-vitro CCCCSCC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@@H]1c1ccccc1 103267752 YIAVRBDPGNBYSB-OAQYLSRUSA-N 420.534 5.004 0 1 HKAF CC1(C)CC2=Nc3ccccc3N(C(=O)C3CC3)[C@@H](c3ccc(Cl)cc3)C2=C(O)C1 103886301 FRUIDNPKMRIFQV-QHCPKHFHSA-N 420.940 6.543 0 1 HKAF COc1ccc(OC[C@H]2c3ccccc3CCN2C(=O)c2cccc(Cl)c2)cc1 199208581 NLMPXVGGFDLRCJ-QHCPKHFHSA-N 407.897 5.167 0 1 HKAF CCn1c(C2CC2)nc2ccc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)cc21 223476588 HGMHZLGJIPRCMS-UHFFFAOYSA-N 419.912 5.317 0 1 HKAF O=C(O)C[C@@H](NC(=O)c1nc(Cl)ccc1Cl)c1ccc(-c2ccccc2)cc1 223560705 WLLJCBZYQRAHPH-QGZVFWFLSA-N 415.276 5.001 0 1 HKAF C[C@H](O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C 255257473 OZLVIJDGMACLBA-TWAWKZABSA-N 414.718 7.859 0 1 HKAF O=C(O)c1cc(Br)cc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c12 586896177 JNAVQCLXNKESFR-UHFFFAOYSA-N 409.239 5.063 0 1 HKAF CSc1ccc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c2c1 586967699 DETCFYDXFXJKTI-UHFFFAOYSA-N 401.948 5.120 0 1 HKAF CCOc1cc(/C=C\c2nc3cc(C)c(Cl)cc3[nH]2)cc(Br)c1OC 586978399 QPODAJIHLZQXRH-WAYWQWQTSA-N 421.722 5.865 0 1 HKAF CC(C)CCOc1ccc(Br)cc1-c1nc2ccc3c(c2[nH]1)CCCC3 586981746 NQVMWLWBKVKRQY-UHFFFAOYSA-N 413.359 6.296 0 1 HKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cnc3ccccc3c2[nH]1 586981969 GLAYQEVYDXIRGR-MRXNPFEDSA-N 408.343 6.246 0 1 HKAF CC(C)COc1cc2[nH]c(C(=O)Nc3ccccc3Cl)nc2cc1Br 587060470 MXDCVOVWSSLZOQ-UHFFFAOYSA-N 422.710 5.266 0 1 HKAF Cc1onc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)c1COc1ccccc1Cl 587063284 JZSDQTXUPSNKLT-UHFFFAOYSA-N 408.767 5.173 0 1 HKAF Clc1cc(Cl)cc(-c2cncc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c2)c1 587067720 MHUFAPXHYYYJKR-UHFFFAOYSA-N 410.091 6.301 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc3c(cc2[nH]1)OCO3 587071345 KHUBHMRHFLEXIO-YDUANAAPSA-N 401.293 5.965 0 1 HKAF Clc1cc(Cl)cc(-c2cncc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c2)c1 587071562 NZYFECPMCJSYFX-UHFFFAOYSA-N 412.276 5.760 0 1 HKAF Cc1c(-c2cc3ccc(O)cc3oc2=O)nc2cccc3c2c1-c1ccccc1C3=O 587209854 VLKYKETWSOHPJL-UHFFFAOYSA-N 405.409 5.234 0 1 HKAF COc1cccc(-c2c(CC(=O)O)c(-c3ccncc3)nc3c2oc2ccccc23)c1 587363140 NQYCVSJFZUSQIS-UHFFFAOYSA-N 410.429 5.346 0 1 HKAF CCCCOC(=O)Cc1c(C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587363678 SEYIVDOKJPJEII-UHFFFAOYSA-N 403.478 5.851 0 1 HKAF COc1cccc(-c2cc(-c3cn(-c4ccccc4)nn3)nc3c2oc2ccccc23)c1 587363879 QCTJTVGWEXJNNE-UHFFFAOYSA-N 418.456 5.904 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(Cl)ccc1N)(c1ccccc1Cl)O2 587379054 RMEPPPBKCCXOGG-QFIPXVFZSA-N 413.304 5.375 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(C(C)(C)C)[nH]c4c(C)ccc(Cl)c14)[C@@H](C2)C3=O 587418599 CHPQIPIULMKDKG-FPTDNZKUSA-N 409.913 5.925 0 1 HKAF CCC[C@]1(c2ccc(Br)cc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587426406 NCAUCSFQSQOIQK-FOIQADDNSA-N 405.263 5.040 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)[nH]c(C(=O)OC(C)(C)C)c1C)CC2=O 587480715 FBMDBBXSDKOURA-XMMPIXPASA-N 413.514 5.126 0 1 HKAF O=C1CC2(CCC(C(=O)O)(c3cccc(Cl)c3)CC2)Oc2c1ccc1c2CCCC1 587497510 BFWZEOOAPOFCEL-UHFFFAOYSA-N 424.924 5.519 0 1 HKAF CCc1oc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1C(C)=O 587531890 IPLPEKWGEIZFJY-AREMUKBSSA-N 402.490 5.957 0 1 HKAF Oc1nc(O)c2ccc(-c3ccc(-c4ccc(OCc5ccccc5)cc4)cc3)nc2n1 587559753 NHKNPUNQXJVELQ-UHFFFAOYSA-N 421.456 5.349 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccc(F)cc2)cs1 587567446 APGOMZABUXJGOK-KNQAVFIVSA-N 419.433 5.358 0 1 HKAF CC(C)COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587593116 CIQKNAMVFIVHBT-RDGATRHJSA-N 404.462 5.304 0 1 HKAF C[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601121 DTWWTTSDPUNWLD-SQHAQQRYSA-N 408.453 5.936 0 1 HKAF CCCCCCc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587603834 RWIQAHDKWPCSQT-RPLLCQBOSA-N 416.517 6.392 0 1 HKAF Cc1ccc(C(C)C)c2c1[C@@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606123 BIUXAWIJKXABMQ-BKMJKUGQSA-N 416.473 5.464 0 1 HKAF CCCCn1nc(C)c(Cl)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587700098 UOLJAIJFJIYLKX-BMLIUANNSA-N 414.750 5.170 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(c3ccc(Cl)cc3)CC2)N1 587700909 UCYJXKLCUHHAFX-TZHTUTLZSA-N 422.769 6.329 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2F)N1 587729034 UPIBZRQRXUHXAW-FPTDNZKUSA-N 414.293 5.553 0 1 HKAF Cc1noc(-c2ccccc2)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587798794 WDPQSFGUIPZVMB-NSPYISDASA-N 401.279 5.175 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(C(C)(C)C)N1 587813560 PBMIXEPSUIASPN-OYHNWAKOSA-N 404.367 5.997 0 1 HKAF Cc1cc2c(cc1C)[C@@]1(CCCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587835290 OYVHBVNPCNFEAS-QKKBWIMNSA-N 404.323 5.155 0 1 HKAF Cc1cc2c(cc1C)[C@@]1(CCCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587836667 XDCGPICKYJQCFI-LHSJRXKWSA-N 404.323 5.155 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ccsc3)n2)N1 587851683 ILWMATWMOZLQEA-FVMDXXJSSA-N 409.349 5.397 0 1 HKAF CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(-c2ccco2)c1O 587937467 ROYPNVWSERQHDL-UHFFFAOYSA-N 421.291 5.132 0 1 HKAF CC(=O)N1N=C(c2ccc(-n3cccc3)cc2)C[C@@H]1c1cccc(Oc2ccccc2)c1 653786499 CWHZOXUVRRCSFX-HHHXNRCGSA-N 421.500 5.967 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)c1cc(Br)ccc1NC21CC1 962955116 RTKGKSHXILLRFA-PEBXRYMYSA-N 408.343 5.056 0 1 HKAF Cc1cc(C)c(CO[C@@H](c2cccs2)c2cc3ccccc3nc2Cl)c(C)c1 1857609067 DBISOFRTWFHLCR-HSZRJFAPSA-N 407.966 7.181 0 1 HKAF C/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@H](O)C[C@H]1OC(=O)C(c2ccccc2)=C[C@H]1CC 1857769108 SGAHPVIOMJTJJV-LBTUZXTFSA-N 400.559 5.026 0 1 HKAF C[C@@H](C=C[C@@H](C)[C@H](C)CO)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356421364 HCQKGAYOZHKURE-RXDPZIBMSA-N 412.658 6.591 0 1 HKAF CC(=O)N[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356495901 JRMQHVWVFCDIOA-CVDNUPSHSA-N 403.607 5.102 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 2356501219 QTLHKKVOGSJGHS-YIBIBDMASA-N 416.690 6.606 0 1 HKAF CC(C)[C@H](O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356571565 VDKSIHRRZLCAGD-YAGZJQCCSA-N 420.678 5.410 0 1 HKAF C[C@]1(Cc2ccc(C(F)(F)F)nc2)C(=O)Nc2cc(-c3ccccc3Cl)ccc21 61903838 HFJYUGIEFYHRIL-OAQYLSRUSA-N 416.830 5.873 0 3 HKAF COCCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(F)cc1Cl 2481169 HBYYOGUGXXTBBT-UHFFFAOYSA-N 423.271 5.221 0 1 HKAF C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)c1ccc(O)cc1 3816997 GEEIYAPDFSGWDJ-GPXOXTDOSA-N 404.485 5.197 0 1 HKAF CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 4214969 FRPVYSJOQDFUBA-LOSJGSFVSA-N 420.597 6.314 0 1 HKAF O=[S@@](Cc1cnc2ccccc2c1)c1nc2ccccc2nc1-c1cccs1 5594253 GCUSBHRMPQHXPM-MUUNZHRXSA-N 401.516 5.214 0 1 HKAF COc1cccc2c1-c1ccc3c(c1[C@@H](c1cc(F)cc(F)c1)O2)C(C)=CC(C)(C)N3 13863764 WDWACRBIIZCRGV-RUZDIDTESA-N 419.471 6.730 0 1 HKAF N[C@H](COc1cncc(-c2ccccc2-c2ccncc2)c1)Cc1c[nH]c2ccccc12 14957413 QZBHXTJIIJOTGG-QFIPXVFZSA-N 420.516 5.241 0 1 HKAF O=C(O)CCC/C=C\C[C@H]1[C@H]2CC[C@H](C2)[C@@H]1/C=C/[C@@H](O)COc1ccc(Cl)cc1 27555239 LXTJSOWJRUNEQA-NPJAONGWSA-N 418.961 5.499 0 1 HKAF COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1 28339116 KPXROINTWUXXMI-YUFDWGCQSA-N 400.474 5.628 0 1 HKAF Cc1cccc(-c2ccc3c(c2)c(CC(N)=O)cn3Cc2ccc3ccccc3c2)c1 28888161 VEFRJIAKULGZRP-UHFFFAOYSA-N 404.513 5.846 0 1 HKAF CCCCCCN=c1ccn(CCCCCn2ccc(=NCCCCCC)cc2)cc1 29235750 FIJRDXPDOINMEF-UHFFFAOYSA-N 424.677 6.122 0 1 HKAF COc1cccc2c1-c1ccc3c(c1[C@@H]([C@@H]1C=C(C)CCC1)O2)C(C)=CC(C)(C)N3 29410263 ZOUVODOOOFQPOC-HFJWLAOPSA-N 401.550 7.150 0 1 HKAF C[C@H](c1ccccc1)N1CCC(Nc2nc3ccccc3n2Cc2ccccc2)CC1 29566015 FFEBGFLJEZTQNP-OAQYLSRUSA-N 410.565 5.722 0 1 HKAF CCN1CCC[C@H]1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(F)cc1 43063352 WUDYKLLAMWHYMC-QFIPXVFZSA-N 402.473 5.713 0 1 HKAF C[C@@](O)(c1ccsc1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C 43204846 VPZJTZXCPYAMHY-OEMFJLHTSA-N 408.542 5.862 0 1 HKAF C[C@@H](Cc1ccc(Oc2ccc(Cl)cc2)cc1)NC[C@@H](O)c1cccc(Cl)c1 45168258 JCGKIQWEEKFZIX-QMHKHESXSA-N 416.348 6.040 0 1 HKAF C[C@H](Oc1ccc2ncc(/C=C/C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl 45364169 OIOZTIQUNWLFQV-FOKSMMDQSA-N 405.256 5.319 0 1 HKAF CC(C)C(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1 45365956 MSLWISSROZSMKP-CUYJMHBOSA-N 407.554 5.443 0 1 HKAF CCSC[C@@H]1C[C@](O)(c2ccccc2)[C@@H](c2ccccc2)[C@H](c2ccccc2)O1 49072496 UPTSZZUOIGQJNC-CQJMVLFOSA-N 404.575 5.941 0 1 HKAF CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(/C=C/c3ccccc3)ccc21 58568526 MLWGDFBBAVXEAS-PCUWGRHASA-N 401.525 6.112 0 1 HKAF O=C(O)c1c(O)c(C2(c3ccc(Cl)cc3)CCC2)nc2c(C(F)(F)F)cccc12 58575105 MLVASRCEOCFBAD-UHFFFAOYSA-N 421.802 5.781 0 1 HKAF Cc1cc2c3ccc(Cl)cc3nc(CSc3nc(-c4ccccc4)cn3C)n2n1 66261889 DKPYPIGFNKHMIZ-UHFFFAOYSA-N 419.941 5.537 0 1 HKAF CCOc1ccccc1[C@@H]1N=NC(C2=C(O)c3ccccc3C2=O)=C[C@@H]1c1ccccc1 68582477 GBDSGADKSAPGLT-BWKNWUBXSA-N 422.484 6.426 0 1 HKAF biogenic Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3ccc(-c4ccccc4)cc3)ccc12 95572320 KROLQRNRDDRFIU-UHFFFAOYSA-N 414.457 5.283 0 1 HKAF Cc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)s1 95582078 OBBYVBXNAYSSES-RUZDIDTESA-N 410.542 6.422 0 1 HKAF C[C@@H]1C[C@H](N)C[C@H](c2ccncc2CC(=O)c2ccc(F)c(-c3ccccc3F)n2)C1 96177698 FMMHFKJPEBARKO-JZXOWHBKSA-N 421.491 5.078 0 1 HKAF C[C@H]1CC[C@H](NCc2ccc3c(c2)Cc2c(-c4ccc(C(=O)O)cc4)n[nH]c2-3)CC1 100035387 MEDLHZCDTXWLOC-GSXCWMCISA-N 401.510 5.014 0 1 HKAF in-vivo CC[C@H](C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1cccnc1 100703350 WUJMWYDETVIUIA-LRDDRELGSA-N 410.543 5.318 0 1 HKAF Clc1ccc2c(NCCCCCCCNc3nccc(Cl)n3)ccnc2c1 103260167 FZEVYDQPDWZIFF-UHFFFAOYSA-N 404.345 5.806 0 1 HKAF CCc1ccc(CN(CC2CCC(C(=O)O)CC2)C(=S)Nc2ccccc2C)cc1 115732750 MCFYRTZREACIMF-UHFFFAOYSA-N 424.610 5.647 0 1 HKAF C=CCNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 167274126 WVNITOAPGIGUKG-JLHYYAGUSA-N 412.518 5.195 0 1 HKAF CC1(C)CC[C@]2(C)CC=C3[C@](C)(CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@@]34C)[C@H]2C1 238746751 DBCAVZSSFGIHQZ-MKFVGZGESA-N 424.713 8.377 0 1 HKAF CC(C)SCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253632358 ABMKCJQMQXHKCT-VRZYQCILSA-N 404.704 7.094 0 1 HKAF C=C(c1ccccc1)c1cccc([C@H](C)CN2CCCC[C@H]2CC2CCCCC2)c1 253633248 GXQMYOOCLURGTN-BTYSJIOQSA-N 401.638 7.677 0 1 HKAF C[C@@H](CN1CCCC[C@H]1CCC1CCCCC1)c1cccc(C(=O)c2ccccc2)c1 253635134 RTGQEPZLTBYSMQ-FIPFOOKPSA-N 417.637 7.236 0 1 HKAF CC[C@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N2CCC[C@@H]3CCCC[C@@H]32)n1 299887367 YSTJSTWIVGRPAL-ZWOKBUDYSA-N 411.550 5.042 0 1 HKAF COc1ccc(Oc2cc(NS(=O)(=O)c3ccc(C)cc3)c3ncccc3c2)cc1 473172867 ZOROTGIUNHRAMJ-UHFFFAOYSA-N 420.490 5.145 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(-n5cccn5)c(F)c4)nc13)-c1ccccc1C2=O 586995689 NIGORGZORJZRKK-UHFFFAOYSA-N 405.432 5.746 0 1 HKAF CCCn1cnc2cc(-c3nc4ccc5nc(C)ccc5c4[nH]3)cc(Br)c21 587003736 MDRHSOODDSTDQJ-UHFFFAOYSA-N 420.314 5.609 0 1 HKAF Clc1cccc(OCc2ccc(-c3nc4cc5c(cc4[nH]3)OCO5)o2)c1Cl 587055417 GZWMPZUPCNLKBP-UHFFFAOYSA-N 403.221 5.437 0 1 HKAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587061127 AXYFHKMODMOPCX-LJQANCHMSA-N 419.937 7.023 0 1 HKAF Cc1cc(Cl)ccc1OCCCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587066153 KJSKGEPDUSBKJD-UHFFFAOYSA-N 406.917 5.368 0 1 HKAF COc1cccc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c12 587086757 LONIRGZEQZBASX-KHPPLWFESA-N 413.308 5.602 0 1 HKAF FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(ccc3ncccc32)[nH]1 587092262 UIGJLFXLXSUXHJ-UHFFFAOYSA-N 412.293 5.133 0 1 HKAF FC(F)(F)Sc1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 587116211 UISMHZXFHPLJPC-UHFFFAOYSA-N 414.334 5.804 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)ccc2F)cc1 587139411 IOAFDNVJGAOIQJ-UHFFFAOYSA-N 417.484 5.179 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c(Cl)c2)cc1F 587144576 ANTZRDAEVPEKLO-UHFFFAOYSA-N 406.675 6.700 0 1 HKAF Fc1cccc([C@H]2C[C@H]2c2nc3c(Br)ccc(Br)c3[nH]2)c1 587160812 HCIIVPRZXQDWKD-GHMZBOCLSA-N 410.084 5.498 0 1 HKAF Cc1ccc(-c2c(-c3cc4c5c(cccc5n3)CC4)c(O)nc3ccc(Cl)cc23)cc1 587209272 MPMCVFBQJQUWNC-UHFFFAOYSA-N 422.915 6.883 0 1 HKAF CCCCOc1cc2nc(-c3cc(N)nc4ccccc34)[nH]c2cc1Br 587253286 GBIZNBPIDYTDGT-UHFFFAOYSA-N 411.303 5.302 0 1 HKAF CC1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 587358300 WKGXDKTVNALPBU-WIOPSUGQSA-N 420.436 5.052 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3cccc(Cl)c3)cc1)CC2=O 587462666 PTTHYOKATLEYNJ-VWLOTQADSA-N 406.909 6.546 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(N)cc1)(c1ccc(C)c(C)c1)CC2=O 587472757 MJDOOAXXUATAKJ-SANMLTNESA-N 401.506 5.453 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)C1CCCC1 587543388 BSAYAGUDSZKWRR-RCZVLFRGSA-N 420.892 6.093 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2)c(F)c1 587556756 ZSHKBUCOHJKSEX-OZXSUGGESA-N 412.416 5.901 0 1 HKAF Cc1ccc([C@]2(Cc3ccccn3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587585679 FUOFHMRYUPUGKB-SQHAQQRYSA-N 423.468 5.195 0 1 HKAF COc1ccc2cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2c1 587599851 IFVBQJVAAODAPS-BVAGGSTKSA-N 412.441 5.431 0 1 HKAF CCOC(=O)c1[nH]c2ccc([C@@H](C)CC)cc2c1C(=O)c1cccc(C(F)(F)F)c1 587639808 CYANHVBBMWHJJV-ZDUSSCGKSA-N 417.427 6.108 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cccc(OC(F)F)c3)c2c1 587643984 ZZDOLCDSHMALTA-GFCCVEGCSA-N 401.409 5.300 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3cccn3)cc2Cl)N1 587692276 GSYNFQNOJHMRSZ-JEOXALJRSA-N 420.713 5.051 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(Cl)cc2Cl)N1 587713873 DFNYCPZAYUESAR-QZTNRIJFSA-N 407.085 5.658 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2N2CCCCC2)N1 587767563 RSXJRBXCCYEYLK-LHSJRXKWSA-N 403.339 5.202 0 1 HKAF Brc1cc2nc(COC/C=C\c3ccccc3)[nH]c2cc1Br 587781373 UKKYJGXYOYXTFK-DAXSKMNVSA-N 422.120 5.318 0 1 HKAF CC(C)=CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587801562 LSBFBQRYEOIFGC-QKKBWIMNSA-N 404.323 5.557 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccccc2)(c2ccccc2)N1 587816089 UAVAFMUDEYSJRR-WXGGUIGUSA-N 422.341 6.079 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(/C=C/c3ccccc3)cc2)N1 587818579 ITVHFVOWJPDXIH-KLFVWKSQSA-N 422.341 6.382 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cs2)N1 587848104 ZPLXHASRBAPLEP-ANRSDYALSA-N 419.157 5.210 0 1 HKAF Cc1ccc(-c2ncc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)o1 587852546 HEDAXBUPTHXLIU-HUTHGQBESA-N 407.308 5.237 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nnc(-c2ccccc2)s1 587863721 GHTPBDIFEKGODX-UHFFFAOYSA-N 402.401 5.085 0 1 HKAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1 587929373 HWTFRWLUIRIJTN-SZNDQCEHSA-N 415.331 5.566 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cnnc(O)c2[nH]1 587961268 SDDHKVPPVMVDPQ-XSCOUVMYSA-N 420.601 6.913 0 1 HKAF COc1ccc2c(c1OC)[C@](c1ccccc1)(c1cncc3ccccc13)N(C)[C@H](C)C2 962625342 NBYXUFQKPMFSJB-GDJIYFAZSA-N 424.544 5.420 0 1 HKAF CC(C)c1ccc([C@H]2CCCC[C@@]23c2ccsc2CCN3Cc2ccco2)cc1 962705236 KQHWRVRSBZDUDQ-BVAGGSTKSA-N 405.607 7.076 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]2(c1cccc(Cl)c1Cl)C1CCCC1 963117279 YGBYSWCBLWXJMT-FDDCHVKYSA-N 404.356 6.587 0 1 HKAF COc1cc(Nc2nc(Cl)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC 1772624264 FVTLWADEYARHQD-UHFFFAOYSA-N 410.861 5.048 0 1 HKAF O=C1N[C@@](c2ccccc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl 1857586032 LPEYRTGVFRLICD-NRFANRHFSA-N 413.951 5.727 0 1 HKAF COc1cc(NC(=O)Nc2cc(Nc3cccc(C(C)(C)C)c3)ncn2)cc(OC)c1 1857594196 FGOCLVGCROVCIE-UHFFFAOYSA-N 421.501 5.179 0 1 HKAF COc1cc2c(NC3CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1 1857753213 QVVLBWWKUFURSQ-UHFFFAOYSA-N 421.541 5.251 0 1 HKAF CO[C@@H]1OC(=O)C2=C1CC[C@H]1[C@]2(C)[C@@H](O)C[C@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C 2356498176 LIUVCTFOPNCVFW-VRVBIQABSA-N 416.602 5.242 0 1 HKAF COc1cc2c(cc1O)O[C@@H]1c3ccc(O)c(CC=C(C)CCC=C(C)C)c3OC[C@@H]21 2356559635 GIZZVIVXSZOUBO-RXFWQSSRSA-N 422.521 5.951 0 1 HKAF COc1cc2c(c3c1C(=O)O[C@H](C)CCCCCCC3)C[C@@H]1[C@@H](C)CO[C@@]1(C)O2 2356824454 GUWRCPIQLPSBMM-YUIYBGGXSA-N 402.531 5.071 0 1 HKAF C[C@@H]1Oc2c3c(c4c(-c5ccccc5)cc(=O)oc4c2C(=O)[C@H]1C)OC(C)(C)C=C3 3874986 YRHQANFINIANSK-KBPBESRZSA-N 402.446 5.244 0 1 HKAF biogenic Cn1cccc1C(=O)N1CCC2(CCCN(c3ccc(-c4ccccc4)cc3)C2)CC1 3955830 OLOOEPLRHJSUOE-UHFFFAOYSA-N 413.565 5.215 0 1 HKAF CC(=O)N[C@H](c1ccccc1)[C@@]1(C)C[C@@H]1[C@@H](C)C(=O)Nc1ccc2ccccc2c1 6202044 CYCMCGJPKRYQDF-KPPCOUORSA-N 400.522 5.318 0 1 HKAF CC(=O)O/C=C/C(=C/OC(C)=O)CC/C=C(\C)CC[C@@H]1C(C)(C)CCC[C@@]1(C)O 13429951 YULSAIDMTJJFTN-OODGXHPCSA-N 406.563 5.594 0 1 HKAF Cc1c(C(=O)N(C)Cc2ccc(Cl)cc2)nc2ccccc2c1-c1ccccc1F 13765057 TVBJJLFRXYHVPM-UHFFFAOYSA-N 418.899 6.275 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](C)C[C@H]4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 27299800 PVJNSDNELNARLT-CYPAZGBGSA-N 413.690 6.950 0 1 HKAF COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2ccncc2[nH]1)C1CCCC1 34630057 QHOJOECNCQYKGI-RUZDIDTESA-N 410.533 5.542 0 1 HKAF Cc1ccc(-c2c(C)noc2[C@H]2[C@@H](c3ccc(Cl)cc3)C[C@H]3CC[C@@H]2N3C)cc1 40895774 JRAFMQOJLVTPIG-SVPADUAOSA-N 406.957 6.346 0 1 HKAF Cc1cc2nc(-c3ccc(/C=C/C(=O)NCCCc4ccccc4)cc3)[nH]c2cc1C 45229861 YOQQAZWPPOMVGX-NTCAYCPXSA-N 409.533 5.609 0 1 HKAF COc1nc(F)c(Cl)c(N2c3ccccc3Sc3ccc(Cl)cc32)c1F 82052773 QXUKVUCBLXLDEH-UHFFFAOYSA-N 411.260 6.610 0 1 HKAF CCCCCc1nc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccccc2)oc1C 82162794 CVOLDNIYUMFUNC-LJQANCHMSA-N 406.530 5.431 0 1 HKAF Cc1noc(C)c1-c1ccc2c(Nc3ccccc3C(C)(C)C)c(C(=O)O)cnc2c1 84635698 OWUQUQCSBQATFQ-UHFFFAOYSA-N 415.493 6.246 0 1 HKAF in-vitro CCOC(=O)NCCCN1c2ccc(Cl)cc2Sc2cc3ccccc3nc21 96905669 KWNXYEOJESFMCB-UHFFFAOYSA-N 413.930 5.627 0 1 HKAF O=c1cc(-c2ccccc2)oc2ccc(N3COc4c(Cl)cc(Cl)cc4C3)cc12 103172341 ASYNGEXLXBMBKU-UHFFFAOYSA-N 424.283 6.123 0 1 HKAF Cc1nc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2)sc1C 105189113 NMQDQHSYXOWFPB-XNKDMPNBSA-N 418.610 6.367 0 1 HKAF Cc1cnc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2C)o1 105203041 QCNGKIHVIWXGMX-IDPBPBMLSA-N 402.542 5.898 0 1 HKAF CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1 115228335 HUEVBCXRDKKBRQ-UHFFFAOYSA-N 414.565 6.370 0 1 HKAF CC(=O)N1CCC(c2cccnc2Oc2ccc(Nc3cccc(C)n3)cc2)CC1 139412898 ZKLSZNYDPNAANV-UHFFFAOYSA-N 402.498 5.047 0 1 HKAF CC(/C=C/C=C(\C)[C@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1)=C\C=C\C=C(C)\C=C\CO 145197157 OOJOUQLXWXASLN-GRQAQOFASA-N 410.598 5.751 0 1 HKAF COc1cc(-c2noc3c2CCC[C@@H]3c2cc(F)cc(F)c2)ccc1-n1cnc(C)c1 205494162 JDPZQGFLGSDMGW-LJQANCHMSA-N 421.447 5.591 0 1 HKAF Clc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c([C@H]3CCCNC3)cc12 220386416 DCBMSYWFJOYONC-KRWDZBQOSA-N 417.944 5.357 0 1 HKAF Cc1cc(CCC(=O)O)ccc1OCc1c(C(F)(F)F)ccn1-c1ccc(F)cc1 221882481 QHSOFHIZXRQDBL-UHFFFAOYSA-N 421.390 5.540 0 1 HKAF CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc3nc[nH]c3c2)c(F)c1 224717274 DUTLUZKMFYBTSP-UHFFFAOYSA-N 423.513 5.113 0 1 HKAF CC/C(=C/C[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 255221440 JNYKCGNCXSSXEF-YJIICQPPSA-N 412.702 7.945 0 1 HKAF COc1ccc(Cn2cc3c(=O)n(Cc4ccc(C)cc4C)nc-3c3ccccc32)cc1 299821400 JYUPVRQCXSIQFG-UHFFFAOYSA-N 423.516 5.025 0 1 HKAF O=C(O)/C=C/c1ccc(OC(=O)CCc2ccccc2)c(OCc2ccccc2F)c1 299825760 NHVZTDDBYRMPIU-SDNWHVSQSA-N 420.436 5.041 0 1 HKAF CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccccc3)ccc2C)CC1 299872089 ZYCQCKHBOGETFE-UHFFFAOYSA-N 410.558 5.972 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(C(C)=O)cc4[nH]3)c(Cl)cc12 587077980 DLUSUBDGWPNGDD-CYBMUJFWSA-N 424.884 5.618 0 1 HKAF Cc1ccc(-c2cc(-c3nc4cc5ccccc5cc4[nH]3)c3cccc(Cl)c3n2)o1 587083328 OSFYNWGBIFOZDI-UHFFFAOYSA-N 409.876 7.153 0 1 HKAF Clc1ccc2ccc(-c3nc4c(OCc5ccccc5)cccc4[nH]3)nc2c1Cl 587083374 QORRELIVZLHJNS-UHFFFAOYSA-N 420.299 6.664 0 1 HKAF Cn1ccnc1COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587104143 DPZUPAMRSAHJBU-UHFFFAOYSA-N 417.468 5.426 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(Cl)c(Cl)c3Cl)nc3cccc1c23 587104268 QSLYLFAWAKQNRU-UHFFFAOYSA-N 410.687 7.073 0 1 HKAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 587108860 GYXXONTZRNRYJS-UHFFFAOYSA-N 406.307 5.559 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(F)c(C)c(F)c5)[nH]c4c3)o2)cc1 587132338 BIGBCVFLKFLLKU-UHFFFAOYSA-N 418.403 5.542 0 1 HKAF Nc1c(F)c(F)cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1F 587137239 VREZYVMDLREFCV-UHFFFAOYSA-N 410.115 5.011 0 1 HKAF Fc1cc(Br)c2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc2c1 587149829 MOXWYSNBFRIIHT-GOSISDBHSA-N 414.253 5.805 0 1 HKAF Fc1ccc(-c2cn3c(Cc4nc5cc(Cl)c(Cl)cc5[nH]4)csc3n2)cc1 587166581 WOPZJELAXKIQOI-UHFFFAOYSA-N 417.296 5.976 0 1 HKAF C[C@]1(c2cc(F)c(F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327989 AEPLYNCMKMVMOV-IFMALSPDSA-N 418.798 5.737 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2F)(C2CCCC2)[C@@H]1c1ccc(F)cc1 587329313 DMJLQXGYHQZRAC-AOYPEHQESA-N 420.455 6.115 0 1 HKAF CC(C)[C@]1(Cc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330498 FSKIJELYXKWNAT-NOZRDPDXSA-N 408.444 5.667 0 1 HKAF CC(C)(C)[C@@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340245 XLINLELQHZGXQT-RDGATRHJSA-N 408.444 5.971 0 1 HKAF COc1cccc(-c2cc([C@H]3COc4ccccc4O3)nc3c2oc2ccccc23)c1 587367666 YHKOKVSFMGAFRG-XMMPIXPASA-N 409.441 6.169 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(F)c1)(c1c(N)sc3c1CCCC3)O2 587383288 ALKNMCZMVZJZEX-XMMPIXPASA-N 422.525 5.148 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(C(c1ccccc1)c1ccccc1)O2 587387944 VBJMQFAWRJHIIT-BTUVCSFDSA-N 412.533 5.189 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)CCN3Cc1ccccc1)CC2=O 587475966 RPFGMKOMVWNTRK-AREMUKBSSA-N 413.517 5.614 0 1 HKAF CCCCN(CCCC)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587503807 ILEBJHMVWDXLLJ-SANMLTNESA-N 405.582 6.679 0 1 HKAF O=C1C[C@H](c2ccccc2Oc2ccc(F)c(F)c2)Oc2c1ccc1c2CCCC1 587507328 VXUXOVMSTBBMBK-XMMPIXPASA-N 406.428 6.342 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc(F)c1 587569704 IWISUQGJPJERGI-JYFHCDHNSA-N 412.416 5.437 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(F)c2)nc1 587570544 LGAVKEZQGNBFSO-DHLKQENFSA-N 413.404 5.296 0 1 HKAF Cc1cc2c(cc1C)[C@]1(CCS2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615984 AMPSXPKVARTJEM-URXFXBBRSA-N 404.487 5.362 0 1 HKAF CC1(C)CCc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2O1 587616638 LLZTZEDVPTXXQL-URXFXBBRSA-N 402.446 5.199 0 1 HKAF COc1ccc2nc(C)c(Cc3c(C)[nH]c4cc(Cl)c(F)cc34)c(Cl)c2c1 587627809 CUFJBGVIIAOHGH-UHFFFAOYSA-N 403.284 6.378 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c([C@H](C(=O)O)c3cccc(Cl)c3)c2c1 587642190 QMOIUJSZPQBKEK-QMHKHESXSA-N 417.936 7.218 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(C2CCCC2)N1 587702194 OIKKKDYJLFRIIV-LRTDBIEQSA-N 422.769 6.210 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(C2CCCC2)N1 587704799 VRLQELYMIKGNJN-YEJXKQKISA-N 422.769 6.210 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(-c3cccs3)c2)N1 587722284 XXJLPNBJPZXOBG-PRWKNARSSA-N 420.322 6.079 0 1 HKAF COc1cccc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587758316 WOXSCAWGIUMMHC-YEJXKQKISA-N 415.306 5.011 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2C(Cc2ccccc2)(Cc2ccccc2)N1 587811435 FWFAOBYAZCOQPS-QGZVFWFLSA-N 424.357 5.803 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(O)c2)N1 587832631 KDSPHUGCXMSZSC-FPTDNZKUSA-N 412.302 5.120 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2csc(Br)c2)N1 587845640 FECDAMIQPASQPJ-ANRSDYALSA-N 419.157 5.210 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3cccs3)s2)N1 587851221 BHPVUJBIGBQOSY-JDNHERCYSA-N 409.349 5.397 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3sc(C=O)cc3s2)N1 587858186 PDWUPZXUAVFLSY-QPFGOUBPSA-N 410.333 5.301 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2c(F)cccc2s1 587867335 BMHBVRRKPJKJLS-UHFFFAOYSA-N 421.375 5.015 0 1 HKAF O=C(O)CCCCCCCCCCCCc1nc2c(Cl)cnc(Cl)c2[nH]1 587957438 ZZCCBMAUVAVMLL-UHFFFAOYSA-N 400.350 6.183 0 1 HKAF CC(C)CCOc1cc2nc(CC3CCC(C)(C)CC3)[nH]c2cc1Br 587963368 NGOZNIQIRNYPGA-UHFFFAOYSA-N 407.396 6.509 0 1 HKAF FC(F)(F)c1c(Br)ccc2nc(/C=C\c3cccc4ccccc34)[nH]c12 587970115 YPTBCKMNYWGYNT-FLIBITNWSA-N 417.228 6.668 0 1 HKAF O=C(Nc1cccc(Nc2ccnc(NC(=O)C3CC3)c2)c1)c1cccc(C2CC2)c1 653848952 NQSVGLUQAXAPFF-UHFFFAOYSA-N 412.493 5.303 0 1 HKAF C[C@@]1(CCc2ccc(Cl)s2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962634502 HRJNDBILXHQQMU-PXDATVDWSA-N 423.025 5.996 0 1 HKAF COC(=O)[C@@H](n1cccc1[C@@H]1NCCc2cccc(-c3ccccc3)c21)C(C)(C)C 962673304 WPSFNNUTWMKDQI-BJKOFHAPSA-N 402.538 5.150 0 1 HKAF Fc1cccc2c1[C@](c1ccccc1)(c1cccc(Br)c1)N1CCC[C@H]1C2 963089384 HBFUIUHERXYLKS-URXFXBBRSA-N 422.341 5.901 0 1 HKAF C/C(=C/[C@@]1(c2ccccc2)NCCc2c(Cl)cc(Cl)cc21)Nc1ccccc1 963103734 GKVOOXQWKXHUEV-WIJSZAOYSA-N 409.360 6.399 0 1 HKAF CCc1ccc([C@]2(CCC3OCCCO3)NCCc3c(Cl)cc(Cl)cc32)cc1 963108447 MAOWCTJOGWDFJI-QHCPKHFHSA-N 420.380 5.488 0 1 HKAF COc1ccc([C@@]2(CCc3cccc(Cl)c3)NCCc3c(C(=O)O)cccc32)cc1 963120950 IECLJVQXOQJRBD-RUZDIDTESA-N 421.924 5.069 0 1 HKAF CCCc1ccc([C@@]2(c3ccc(C)nc3)N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1 963610401 PGPOPMJEBJPEIN-PPHZAIPVSA-N 416.565 5.186 0 1 HKAF COC(=O)Cc1ccc(OC(=O)c2c(-c3ccccc3)sc3c2CCCC3)cc1 1772594154 LGYVGCHVOFORTG-UHFFFAOYSA-N 406.503 5.229 0 1 HKAF CC(C)=CCc1c2c(c(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc13)OC(C)(C)C=C2 1772632123 PDXSTCCVOJNCGO-UHFFFAOYSA-N 420.461 5.270 0 1 HKAF Oc1ccc2c(c1)-c1nc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccccc3O)c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c1ccc(-c2csc(NCCn3c(-c4ccncc4)nc4ccccc43)n2)cc1 15933656 WOTAZPCNPYQADK-UHFFFAOYSA-N 411.534 5.642 0 3 HKAF Cc1ccc(-c2nc3cc(C)c(Br)c(C)n3c2CC2CCCCC2)cc1 95567663 SMKCDXOZVROCOP-UHFFFAOYSA-N 411.387 6.812 0 3 HKAF CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 206954577 ATLBCAUXFUWSKE-JOCHJYFZSA-N 408.423 6.179 0 3 HKAF Cc1cc(C)cc(CO[C@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 1534338 PXZTVHCMFSPYCK-WDYNHAJCSA-N 411.589 6.115 0 1 HKAF N=c1oc2c(Cl)cc(Cl)cc2cc1C(=O)Nc1cccc(C(F)(F)F)c1 5428484 YJLKSPQGPACWNU-UHFFFAOYSA-N 401.171 5.490 0 1 HKAF CC1(C)c2cc(O)c(CCCOc3ccccc3)cc2O[C@H]1CCc1ccccc1 13453260 KLDYTBQCBXQCSW-SANMLTNESA-N 402.534 6.075 0 1 HKAF Cc1cc2c(cc1C)-n1ccnc1CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 13743155 JQHKCSULALWRAG-UHFFFAOYSA-N 418.504 5.208 0 1 HKAF Cc1c(OC[C@@H](N)Cc2c[nH]c3ccccc23)cncc1-c1ccc2cnccc2c1 14962542 UCEMMINFCFCTRE-QFIPXVFZSA-N 408.505 5.035 0 1 HKAF COc1ccc(-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)c2c(N)noc12 14975421 UQHQUPSFNPQLNI-UHFFFAOYSA-N 408.845 5.383 0 1 HKAF Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc(Cl)cc4)s2)N3C)cc1 14978612 CACJYDSRIOGEJW-GNXKAVGDSA-N 408.998 6.506 0 1 HKAF C[C@H](O[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O)[C@@H](C)c1ccccc1 27553439 QCBYZOSVCCPKPO-LEHBWIKQSA-N 418.924 5.664 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 28569326 BBTIMXAYZRWPNG-VJSFXXLFSA-N 414.718 8.025 0 1 HKAF in-vivo CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H]1COC(C)(C)O1 28710844 ZWEJNTPCOYFONY-FBDUAZINSA-N 418.618 6.827 0 1 HKAF O=c1[nH]c(C2=C[C@@H](N3CC=C(c4ccc(F)cc4)CC3)CC2)nc2c(Cl)cccc12 28954723 MCEUIALTZODGFY-IBGZPJMESA-N 421.903 5.051 0 1 HKAF CCC(C)(C)[C@@](O)(Cc1cc2ccncc2[nH]1)CC(C)(C)c1cc(F)ccc1OC 38268574 MDONCBVHXUPFSV-RUZDIDTESA-N 412.549 5.788 0 1 HKAF Clc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2)cc1 44670701 LRLGPICGNUWXAN-BGYRXZFFSA-N 401.724 6.479 0 1 HKAF CC(C)CC1=Nc2cc(C(=O)NCc3ccccc3)ccc2CN1Cc1cccnc1 45322538 FSBQZYCJJPUHAT-UHFFFAOYSA-N 412.537 5.104 0 1 HKAF O=C(NCC1(c2ccc(F)cc2)CCCCC1)C1CCN(Cc2ccccc2)CC1 72113617 VLFMQJUTHAKCCC-UHFFFAOYSA-N 408.561 5.056 0 1 HKAF CCCCCCN(C)c1nc(NC2CCCCC2)nc(Oc2ccc(OC)cc2)n1 82067177 HWDPXAYAEBVSTR-UHFFFAOYSA-N 413.566 5.434 0 1 HKAF CCN(Cc1ccccc1)C(=O)c1cnc(NCc2ccccc2)nc1-c1ccccc1 82134264 FBOQAXSZWABFFJ-UHFFFAOYSA-N 422.532 5.418 0 1 HKAF Cc1nc(-c2cnc(NCCc3ccccc3F)nc2-c2ccccc2)sc1C 82163210 YLEDKFIYTYXVIK-UHFFFAOYSA-N 404.514 5.678 0 1 HKAF CSCC[C@H](Nc1nc(-c2ccc(C)cc2C)cs1)C(=O)NC1CCCCC1 82191873 KHPOTINIGOGBME-IBGZPJMESA-N 417.644 5.409 0 1 HKAF COc1cc([C@@H]2OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]32)ccc1O/C=C\C(C)C 85774818 NXUQPWMHPDPMCA-GFRIFNTCSA-N 424.493 5.048 0 1 HKAF in-man Cc1nc(-c2ccc([C@H]3Nc4ccccc4C(=O)N3c3ccccc3)s2)cs1 95585443 AVBPQEDCJWOBPP-NRFANRHFSA-N 403.532 5.951 0 1 HKAF CCCCCOc1ccccc1-c1cc(C(=O)NC2C3CC4CC(C3)CC2C4)no1 96913493 TUCWNLRRBGGNRB-UHFFFAOYSA-N 408.542 5.465 0 1 HKAF Cc1cc([C@]2(c3cc(C(C)(C)C)ccc3O)C(=O)Nc3ccccc32)ccc1Cl 96937505 AOEBDZRTNXZCFT-VWLOTQADSA-N 405.925 5.938 0 1 HKAF CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccc(C)cc2)C2=C(O)CC(C)(C)CC2=N1 104004014 XERMERLRSTUQPJ-QHCPKHFHSA-N 415.537 5.781 0 1 HKAF CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3CC(=O)[C@@H]2C1 136297361 GGNMCEMUZBBANL-BXWZAOEASA-N 416.690 7.302 0 1 HKAF CCCCCCC(C)(C)/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NC[C@H](C)O 231934492 KSNPOSBOLMASTE-IWEIDNDUSA-N 417.678 7.045 0 1 HKAF C/C=C(\CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 238734010 AMBIHAYAXSFGSZ-JUGJNGJRSA-N 412.702 7.945 0 1 HKAF Cc1ccc([C@H](O)c2cccc([C@@H](C)CN3CCCC[C@H]3CC3CCCCC3)c2)cc1 253633201 GJBDYIWLLXEWQA-OIFPXGRLSA-N 419.653 7.005 0 1 HKAF CCN1CN(CC)[C@H](c2c(Cl)cccc2Cl)[C@H]1c1c(Cl)cccc1Cl 253674552 UZKYVLKKPPJPBE-RTBURBONSA-N 418.195 6.698 0 1 HKAF CCCCCOc1cc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586885534 VVIAZURGRDUMPV-WMUXEFRJSA-N 417.391 6.362 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586918423 YSOMFZSECDGXPS-FQRUVTKNSA-N 410.473 5.010 0 1 HKAF CCc1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1Br 586977967 UCRCKIMAWUDWEX-UHFFFAOYSA-N 414.528 5.971 0 1 HKAF CCOc1cc(/C=C\c2nc3cc(F)cc(F)c3[nH]2)cc(Br)c1OC 586978070 KWFFWFWMZKAUAP-PLNGDYQASA-N 409.230 5.181 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H](c1ccc(Cl)cc1)C3 586984762 BADAVNYMAGUOSQ-OAHLLOKOSA-N 411.888 6.078 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(O)cc4C(F)(F)F)nc13)-c1ccccc1C2=O 586994332 YIMVWWOCUHGEIG-UHFFFAOYSA-N 405.375 6.146 0 1 HKAF FC(F)(F)Oc1cc(Br)cc2nc(CSCc3ccsc3)[nH]c12 587024520 BELNVDKLRFWGMU-UHFFFAOYSA-N 423.279 5.719 0 1 HKAF Oc1ccc2scc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2c1 587031714 AGADMOFYMXLYSK-UHFFFAOYSA-N 413.218 5.932 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(C)c(C)cc4[nH]3)c(Cl)cc12 587078663 YSWGVVZKRPTQFG-AWEZNQCLSA-N 410.901 6.032 0 1 HKAF O=C1c2ccccc2-c2cc(Cc3cc(F)ccc3Br)nc3cccc1c23 587102536 ABVVPOJGLVRZCR-UHFFFAOYSA-N 418.265 5.939 0 1 HKAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587109678 RWZHXOMMZUEIHA-UHFFFAOYSA-N 412.367 5.526 0 1 HKAF Fc1c(F)c(F)c(/C=C/c2nc3cccc(OCc4ccccc4)c3[nH]2)c(F)c1F 587134751 OBDRJNZKMINQSS-MDZDMXLPSA-N 416.349 6.008 0 1 HKAF Fc1ccc(/C=C/c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(F)c1 587148250 HBNISLVJJWSEDW-DUXPYHPUSA-N 403.148 5.793 0 1 HKAF COc1ccccc1C1CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587352444 OJCOGLDUFLJIDA-RTBHKZQWSA-N 404.437 5.215 0 1 HKAF COc1cccc(-c2cc(-c3ccc4nn(C)cc4c3)nc3c2oc2ccccc23)c1 587363897 QMOOXLCWJIACKL-UHFFFAOYSA-N 405.457 6.210 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cccc1Oc1c(C)ccc(C)c1C)O2 587376295 RLYFSLCKZGFYHC-QFIPXVFZSA-N 421.924 6.655 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3ccc(Cl)cc3)c3ccccc13)O2 587379204 TWUBXWHICTZDCI-XMMPIXPASA-N 416.908 5.940 0 1 HKAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc(C(C)(C)C)cc41)[C@@H](C2)C3=O 587447112 LMRHFERTCQSPSP-DWACAAAGSA-N 424.496 5.228 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(-c3ccc(C)cc3C)c1Cl)CC2=O 587461306 MDIIZCBGZVVARW-NRFANRHFSA-N 424.928 5.816 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc(-c3ccc(F)cc3)nc1C)CC2=O 587472612 RZWJWETWUMKRPO-HSZRJFAPSA-N 411.498 5.796 0 1 HKAF O=C1C[C@@H](c2ccc(OCc3ccccc3)c(F)c2)Oc2c1ccc1c2CCCC1 587506920 QUNFCBGASAYTBL-VWLOTQADSA-N 402.465 5.990 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1ccc(F)cc1 587571401 NYBRCAHZICMGHS-OZXSUGGESA-N 412.416 5.901 0 1 HKAF C[C@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613267 NPXQFLVROWZEMR-VQIMIIECSA-N 417.280 5.093 0 1 HKAF CC(C)(C)OC(=O)N1CCC(c2[nH]c3cccc(F)c3c2C(=O)c2ccccc2)CC1 587636928 PXCQEGJOPVVYPI-UHFFFAOYSA-N 422.500 5.653 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cc(Cl)ncc3c2)N1 587702715 FDGZJPWGOQTTCN-APBUJDDRSA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(OC3CCC3)c2)N1 587715053 GVOBOPKOWYRUKV-GIPWTMENSA-N 408.286 5.282 0 1 HKAF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1C(F)F 587720362 STCUYRHZEPHREO-HUTHGQBESA-N 400.238 5.158 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3)c(F)c2)N1 587724459 ICUSDOBJPBDADJ-XMHCIUCPSA-N 414.293 6.018 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3ccncc3)c2)N1 587778903 OSFKKYNDUAJGFA-JLCFBVMHSA-N 411.318 5.448 0 1 HKAF CCCCCOc1cc2nc(-c3cccc(OC)c3O)[nH]c2cc1Br 587787369 RZFQZBKKQJOKQM-UHFFFAOYSA-N 405.292 5.276 0 1 HKAF CC[C@H](C)Oc1c(OC)cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587794545 OVQDDLJWGXEYKO-MTJIALIYSA-N 422.338 5.398 0 1 HKAF COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12 587811652 XAWVRMNUEZSZET-MCMMXHMISA-N 414.318 5.548 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC23CC4CC(CC(C4)C2)C3)N1 587814864 WJYIUVVDIXJCPX-MQFHNONPSA-N 406.383 5.944 0 1 HKAF CCc1cc(CC)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(CC)c1 587818598 IYNIYXIHHHMDMK-DMZKTXOQSA-N 404.367 5.899 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 587821214 TYXASJANKTURTP-CMJOXMDJSA-N 410.330 6.187 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2C[C@H]2c2ccc(Cl)s2)N1 587845262 DERRFNCZYRZXDT-NSCPPKTISA-N 414.771 5.856 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2-c2ccsc2)N1 587852541 HBNOPXBUAYFOOT-WYRIXSBYSA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccc(C)cc2s1 587860764 BPAADXAKDZZGKR-UHFFFAOYSA-N 404.322 6.163 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccc2ccccc2c1 587870894 UTEWVGSQGJLWBP-INIZCTEOSA-N 404.441 5.349 0 1 HKAF CCCCc1ccc(-n2c(OC(C)(C)C)cc(C(C)C)c2O)c(Br)c1 587937487 SBZWGLZSLMLYNI-UHFFFAOYSA-N 408.380 6.589 0 1 HKAF Clc1cc(Cl)cc(COc2nc(NCc3ccco3)c3ccccc3n2)c1 653765630 YHOGSWJNFOTWPC-UHFFFAOYSA-N 400.265 5.721 0 1 HKAF Brc1ccc2c(c1)[C@H](c1ccc(CN3CCCCC3)s1)NC1(CC1)C2 961614867 MOFWYPBLDFLUPB-HXUWFJFHSA-N 417.416 5.264 0 1 HKAF FC(F)(F)c1ccccc1-c1ccc([C@@H]2NCCc3cccc(-c4ccccc4)c32)o1 962669168 RWELSCPAVITZHK-VWLOTQADSA-N 419.446 6.868 0 1 HKAF Cc1cccc(-n2c(C)c(C)c([C@H]3c4ccsc4CCN3Cc3ccco3)c2C)n1 962702508 AKFVIEFLFITWPM-RUZDIDTESA-N 417.578 5.908 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(C)cc2)([C@@H]2CCOC(C)(C)C2)N1 962947783 KGFIBVFXZOACFT-GNMOFYLKSA-N 402.582 5.849 0 1 HKAF Cc1ccc(C2=C[C@@]3(NCCc4c3sc(C)c4C)c3cc(Cl)c(C)cc3O2)cc1 963004348 CCTYXCGDPHAZTA-RUZDIDTESA-N 421.993 6.458 0 1 HKAF Cc1ccnc([C@@]2(c3ccc(C(C)C)cc3)c3c(F)cccc3C[C@H]3CCCN32)c1 963104696 IICUEGMDZADBMV-KCWPFWIISA-N 400.541 5.965 0 1 HKAF CC(C)CC[C@@H]1C[C@H](Cc2ccc(=N)[nH]c2)C[C@@H]([C@@]23CC[C@@H]([C@@H](N)C2)C(C)(C)O3)C1 2356294421 UTEGCQVUERHPEW-FVSMCNPQSA-N 413.650 5.180 0 1 HKAF CC(=CC=C[C@H](C)CCCc1ccoc1)CCC[C@@H](C)C[C@H]1OC(=O)C(C)=C1O 2356647400 LLUVPJMUQYMVHU-MIZPHKNDSA-N 400.559 6.695 0 1 HKAF CC(=O)O[C@@H]1C[C@]2(C)[C@@H]3CCC(C)=CCO[C@]3(C)CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12 2356681023 BTAWZZWVNLKTFR-GEYQBXFDSA-N 416.646 6.702 0 1 HKAF COc1cc(C=CC(=O)O[C@@H]2CC(C)=CCCC(C)=C[C@H](O)[C@@H]2C(C)C)ccc1O 2356740982 ZRZPYTZFTKLERY-PWWKTKHKSA-N 414.542 5.035 0 1 HKAF CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)C=C[C@H](C)C(C)C)C1 2356773180 SMKIZRWLCFABEH-AFAADKLXSA-N 412.702 8.065 0 1 HKAF Cc1cc(C(C)(C)C)oc1C(=O)N(CC(=O)NC1CCCC1)c1c(C)cccc1C 1361056 ADFOFBMTHOLHHF-UHFFFAOYSA-N 410.558 5.208 0 3 HKAF COc1cccc(Nc2nc(-c3cccs3)nc3ccc(Br)cc23)c1 5929178 VSMNUHNIUVRJIN-UHFFFAOYSA-N 412.312 5.873 0 1 HKAF CN1[C@H](CCc2ccc3ccccc3c2)CCC[C@@H]1CCc1ccc2ccccc2c1 13671776 XGQNKIJPKQPFJG-RNPORBBMSA-N 407.601 7.411 0 1 HKAF CCc1ccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)c(OC)c1 13740868 HVPFIEOSMSVBFR-UHFFFAOYSA-N 412.505 5.186 0 1 HKAF COc1cc(O)cc2c1C(=O)O[C@H]2CCCCCCCCC[C@@]1(O)CC[C@@H](C)O1 14714538 FEOQJESGRFUTMF-ICPLQIHGSA-N 406.519 5.011 0 1 HKAF CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H](CCc1ccccc1)OS(=O)(=O)O 26164669 NEFSIVFHFSCMQH-GRSYGWAWSA-N 420.615 5.996 0 1 HKAF CCOP(=O)(Cc1ccc(-c2nc(OC)c3c(F)cccc3n2)cc1)OCC 29223234 OLTGMGRQIGYUJX-UHFFFAOYSA-N 404.378 5.211 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O 34059762 QEXZVESBFWVISP-YLLUOSTHSA-N 408.494 5.745 0 1 HKAF N#CCCNc1cc(Cc2c(Cl)cccc2Cl)nc(Nc2ccc(C#N)cc2)n1 34106383 UFZSEYMEFYPRRY-UHFFFAOYSA-N 423.307 5.315 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C 36454324 AOSNBLFAXVTNOJ-PJEZMQEMSA-N 414.630 5.603 0 1 HKAF COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2cccc(C)c2[nH]1)C(F)(F)F 38480144 AXAIJGRNQQORMC-JOCHJYFZSA-N 423.450 5.828 0 1 HKAF COc1ccc(-c2ccc(C(=O)N[C@@H](CCN(C)C)c3ccc(Cl)cc3)cc2)cc1 45286100 KZKNNJVXJXKSEB-DEOSSOPVSA-N 422.956 5.438 0 1 HKAF Cc1cc(CN2CCC[C@@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C2)ccc1O 45323320 KPBQSDCHWWQQAH-XMMPIXPASA-N 423.503 5.749 0 1 HKAF C[C@@H]1CCCC[C@@H]1Nc1ncc(-c2nc3ccccc3s2)c(-c2ccccc2)n1 82162544 WISIBYOHZWUDRW-APWZRJJASA-N 400.551 6.411 0 1 HKAF Cc1oc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccco2)nc1-c1ccccc1 82165838 VTMJIFCZRDMYLN-IAGOWNOFSA-N 414.509 5.849 0 1 HKAF COc1c(CC=C(C)C)c(O)cc2c1[C@H]1Oc3cc4c(cc3[C@H]1CO2)C=CC(C)(C)O4 85955997 SVHCNENPWOPFOI-CJAUYULYSA-N 420.505 5.703 0 1 HKAF endogenous,in-man COc1cc(OC)c2c(c1)[C@H](c1c(C)cc3cccc(OC)c3c1O)[C@H](C)N=C2C 95486022 PXBHZIFPQCRJCT-NPMXOYFQSA-N 405.494 5.223 0 1 HKAF biogenic,in-vitro O=C(NC1CCCCCCC1)c1cc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1 95604168 UVFOGXPYYVVVFN-UHFFFAOYSA-N 406.370 6.048 0 1 HKAF CC(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1 96283857 RTWXMWUXMPERDK-VWLOTQADSA-N 415.512 5.459 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118937342 ZMYBKDLUDWAJSA-KKSHANKISA-N 400.691 8.067 0 1 HKAF endogenous,in-man O=S(=O)(c1ccc(OCc2ccc(SC(F)(F)F)cc2)cc1)C(F)(F)F 138061844 HOCAZXWFYDLMQM-UHFFFAOYSA-N 416.364 5.171 0 1 HKAF COc1cccc(F)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2ncc(C)s2)c1 167823053 TZBWABYKEXBHRA-LIRRHRJNSA-N 410.514 5.376 0 1 HKAF CC(C)(CNCc1ccc(Cl)cc1)OC(C)(C)CNCc1ccc(Cl)cc1 169328595 HNMVAWJVTGCCHM-UHFFFAOYSA-N 409.401 5.447 0 1 HKAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccc(Cl)s2)s1 169371880 ULKBAZWILNDSNA-YGWUAJHISA-N 405.972 5.169 0 1 HKAF C1=C\CCCCN2C[C@]34CCCCCCCCCCCN(C[C@H]5C/C(=C\C/1)[C@@H]2C[C@H]53)C4 238750048 AXZOZMSDLYMXPA-RFOMEHAMSA-N 424.717 6.970 0 1 HKAF O=C(c1ccc(NCc2ccccc2)c(Cl)c1)N1CCC(N2CCCCC2)CC1 299864745 MSJPBXGABVKRFI-UHFFFAOYSA-N 411.977 5.043 0 1 HKAF CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC 299878875 JWXIQYLENFIWIA-XUVDGOIQSA-N 424.585 5.377 0 1 HKAF CC[C@H](C)Nc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccccc2F)n1 299879452 KSEJIORGIAFDGT-GGTBVAQXSA-N 424.564 5.294 0 1 HKAF O=C1c2ccccc2-c2cc(Cc3ccc(Cl)c(Cl)c3)nc3ccc(O)c1c23 586985017 DEYFRZHFIAIPCT-UHFFFAOYSA-N 406.268 6.049 0 1 HKAF Cc1cc2c(Br)ccc(-c3nc4c(Br)ccnc4[nH]3)c2o1 587002497 AFQYOCXPCBCVPE-UHFFFAOYSA-N 407.065 5.205 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc4c(c3[nH]1)CCCC4)N2 587031565 ONOUCQDQYKWXSK-VGSSETLESA-N 424.595 5.569 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cccc(Cl)c3[nH]1)N2 587033359 YVVVUDSWCOBSPJ-JLATVTFTSA-N 404.948 5.343 0 1 HKAF CC(C)Oc1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 587040904 UZHCKVHTGWNPPQ-UHFFFAOYSA-N 401.535 6.196 0 1 HKAF COC(=O)c1cc2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2cc1OC 587049581 BSURIZKAQWNNTD-UHFFFAOYSA-N 417.248 5.592 0 1 HKAF N[C@@H](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1ccccc1Cl 587055505 DLQKWJXAYNRSAK-LBPRGKRZSA-N 407.745 5.496 0 1 HKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587067791 PIKKCURBINRHDX-CQSZACIVSA-N 419.937 6.941 0 1 HKAF Cc1cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2cc1Br 587095005 LYMGKDHZXVEOEN-UHFFFAOYSA-N 423.154 6.338 0 1 HKAF C[C@H]1CCCN(c2ccc(N)c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2)C1 587104407 GVYJRMBKIOTGIK-KRWDZBQOSA-N 419.528 5.932 0 1 HKAF C[C@@H](c1nc2ccc(C(C)(C)C)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587130265 RPQKNOWSFHHVAN-QMMMGPOBSA-N 402.823 6.195 0 1 HKAF COc1ccc(-c2ccc(-c3nc4ccnc(Br)c4[nH]3)c(F)c2)c(F)c1 587148117 ASSMOFOVODQJHB-UHFFFAOYSA-N 416.225 5.341 0 1 HKAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587201658 UYXBHPXUOXYJQD-UHFFFAOYSA-N 419.875 5.816 0 1 HKAF COc1ccc(C)cc1NCCCc1nc2ccc(OCc3ccccc3)cc2[nH]1 587229583 ZEAACBBUVURGAN-UHFFFAOYSA-N 401.510 5.504 0 1 HKAF Nc1ccc(-c2ccc3nc(-c4cccc(Nc5ccc(O)cc5)c4)[nH]c3c2)cc1N 587242818 SXGKCZNKFSGJRZ-UHFFFAOYSA-N 407.477 5.511 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](c2ccc(F)cc2)C3)c1 587359032 CIPTTYIEFYNVPY-SFHVURJKSA-N 409.460 6.678 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1C(F)(F)F)O2 587380157 BVVANQYHONTETE-OAHLLOKOSA-N 400.194 5.065 0 1 HKAF Cc1cc(C)c([C@]2(c3ccc(C(=O)O)cc3)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587408557 PJVOUYCKKDVYQW-AREMUKBSSA-N 415.489 5.110 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(Cl)cccc21 587462139 PJHJCWLRMPPWSV-RUZDIDTESA-N 418.876 5.452 0 1 HKAF O=C1C[C@H](c2cn(-c3ccc(Cl)c(Cl)c3)nn2)Oc2c1ccc1c2CCCC1 587510719 ZRKNFUYUCNTQFJ-HXUWFJFHSA-N 414.292 5.159 0 1 HKAF O=C1C[C@@](Cc2nc3ccccc3[nH]2)(c2cccs2)Oc2c1ccc1c2CCCC1 587529980 CAAQWOZGEYZFFK-RUZDIDTESA-N 414.530 5.607 0 1 HKAF Cc1cccc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)nc12 587550817 BSOYILPEAQRPMX-AUSIDOKSSA-N 417.848 5.605 0 1 HKAF CCCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587580050 WWNNSMKCDXZXJZ-BVAGGSTKSA-N 413.473 5.850 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1cc(Cl)cnc1Cl 587626630 YDGPTVZMFLLSEP-UHFFFAOYSA-N 413.148 6.883 0 1 HKAF CCOC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccccc1Br 587627970 NFINCJAVHOPABG-UHFFFAOYSA-N 424.653 5.131 0 1 HKAF O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3ccc(Br)cc3)[nH]c12 587639265 YUSZZFXESCMNNE-UHFFFAOYSA-N 412.161 5.041 0 1 HKAF CC(C)c1ccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587661520 ZFTQZGRCINBXKK-UHFFFAOYSA-N 416.452 5.045 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(Cl)c2Cl)N1 587693395 NIFKJDMUYLWAJQ-HYORBCNSSA-N 405.094 5.224 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CF)(c2ccc(C(F)(F)F)cc2)N1 587712939 MEJLWDWEEOECAZ-BMLIUANNSA-N 420.219 5.354 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1OC(F)F 587715449 HSKIELMWBIADOY-GTNSWQLSSA-N 414.265 5.430 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3)cc2F)N1 587726093 UGHAEZBWTPWTQH-XMHCIUCPSA-N 414.293 6.018 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(F)cc2)N1 587734494 NTAPJVQLUSCBQC-YUNKPMOVSA-N 403.270 5.142 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587780374 QZRZWKNDEXRGOY-UHFFFAOYSA-N 420.512 6.875 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(COC/C=C/c4ccccc4)[nH]c3c2)cc1 587780753 HKCFYMCKOWFDSG-VMPITWQZSA-N 414.461 5.372 0 1 HKAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC(C)C 587792741 MIBDCUTUTAEPBZ-MPBGBICISA-N 408.311 5.008 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCC3)Oc3ccccc32)N1 587837681 KGWKHVUXJGOOAO-ASSNKEHSSA-N 402.307 5.071 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(O)cc3)s2)N1 587848976 QJWJGPQAKSEYCG-PRWKNARSSA-N 418.331 5.646 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccsc3)n2)N1 587852341 FQLSMZVYHBOJSN-WYRIXSBYSA-N 403.320 5.335 0 1 HKAF CS(=O)(=O)Nc1ccc(-c2csc(-c3ccc(Oc4ccccc4)cc3)n2)cc1 587924061 BLSUGSWJEKVZRH-UHFFFAOYSA-N 422.531 5.641 0 1 HKAF COc1ccc2c(c1)[C@@](c1ccccc1)([C@](C)(O)c1ccccc1)N(C(C)C)CC2 962089294 HRZMELONAUPTDC-SXOMAYOGSA-N 401.550 5.113 0 1 HKAF Cc1cc2c(cc1F)[C@](c1ccc(C)c(Br)c1)(C(F)(F)F)NCC2 962089756 HTKDUVSFRAIETD-QGZVFWFLSA-N 402.229 5.157 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cnn(-c3ccc(C(F)(F)F)cc3)c2)N1 962940019 CSUBADAKKNYADG-KKSFZXQISA-N 410.443 5.386 0 1 HKAF CC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1cc(-c2ccc(C)cc2)nc2ccc(OC)cc12 1772589230 KEEAZUSOQKVNRM-WISKQVLDSA-N 416.565 5.373 0 1 HKAF CC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1cc(-c2ccc(F)cc2)nc2ccc(OC)cc12 1772634841 FBDKIDHZHWWMNH-ASVSJHMLSA-N 420.528 5.203 0 1 HKAF O=C(NCc1c[nH]c2ccccc12)Nc1cc(Br)cc(Br)c1 1857570172 ILDDWUFJBIBNAJ-UHFFFAOYSA-N 423.108 5.015 0 1 HKAF COc1c(O)cc(-c2ccc(C=CC(=O)O)cc2)cc1C1C2CC3CC(C2)CC1C3 2356283053 BLOUEPHCPNDROE-UHFFFAOYSA-N 404.506 5.705 0 1 HKAF CCCC=C1OC(=O)C2=C[C@H]3CC[C@@]12[C@@H]1C2=C4C(=C(CCC)CC[C@@H]4C[C@@H]31)OC2=O 2356776269 VPEHIGFAAWYYPW-TXUYZKPASA-N 406.522 5.517 0 1 HKAF Cc1c(CN2CCC(CO)(CCOc3ccccc3)CC2)[nH]c2c(Cl)cccc12 12755702 BOBHPMQFFUSAAV-UHFFFAOYSA-N 412.961 5.173 0 3 HKAF CCOc1ccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)N[C@H](C)C(C)C)cc1 774317 KSFNQWDAUYDQKD-MRXNPFEDSA-N 408.498 5.190 0 1 HKAF O=C(NC1CCCCC1)c1c(-c2ccccc2F)noc1-c1c(F)cccc1Cl 2485039 BQEMVZZHYLRTLQ-UHFFFAOYSA-N 416.855 6.003 0 1 HKAF CC(C)=CCC/C(=C/CC/C(C)=C/CC[C@]1(C)C=Cc2cc(O)cc(C)c2O1)C(=O)O 14691441 QKXAGRZCXAYBQX-HKRZBUDOSA-N 424.581 7.129 0 1 HKAF biogenic,in-vitro CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C[C@@H](c1c(O)cccc1O)O2 14727519 ILTTZDSANMIMOU-FQEVSTJZSA-N 424.493 5.233 0 1 HKAF biogenic CCN(c1nc(C)cc(-c2ccccc2C)n1)c1ccc(C(C)C)cc1Br 26003592 PUGBKVCCHHINNX-UHFFFAOYSA-N 424.386 6.804 0 1 HKAF CCO[P@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCSC1=O 26291393 LXPVOXKIKAAFJW-RUZDIDTESA-N 418.480 5.862 0 1 HKAF COc1ccc2c(c1OC)CCN(C(C)=O)[C@@H]2CC(c1ccccc1)c1ccccc1 28455482 QSKLABQGWXYTGC-RUZDIDTESA-N 415.533 5.372 0 1 HKAF CC[C@H](C(=O)O)[C@H]1CCc2cc(OCCc3c(-c4ccccc4)noc3C)ccc21 28563413 ZBVFQLFYXGPTBW-NZQKXSOJSA-N 405.494 5.412 0 1 HKAF O=C1C[C@H](c2ccc(Cl)c(Cl)c2)c2c(ccc3cc(Br)ccc23)O1 29136188 QFICNEBMOVCJPI-CQSZACIVSA-N 422.105 6.350 0 1 HKAF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 34187208 PPBPYGUCLBGWLZ-IBIBGPFUSA-N 414.630 6.360 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1C(=O)CC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@@H](C)C(C)C 34513599 LAFDOVHKCATTMZ-KAMOXFJTSA-N 410.642 7.129 0 1 HKAF CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3NC3CCCC3)cc2)cc1 38149552 BLSWNJAPQMAPOE-UHFFFAOYSA-N 413.565 6.653 0 1 HKAF CC1=C(/C=C/C2=CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)[C@H](O)CCC1 40164520 REBCKWLPJGCBRY-SBBHAVPLSA-N 400.647 6.734 0 1 HKAF endogenous,in-man CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Nc1ccccc1CO 40420502 GNIBGPISNCZPAE-JOCHJYFZSA-N 416.565 5.864 0 1 HKAF C[P@](=O)(O)[C@H](C(=O)N/C=C/c1ccccc1)c1csc2ccc(Cl)cc12 40584660 DGWSMOPHIGQBQQ-BBVFFXRHSA-N 405.843 5.283 0 1 HKAF CCCCCN1CC[C@@H](NC(=O)c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)C1 45193987 HDYIQOBQDUYIPE-XMMPIXPASA-N 421.585 5.057 0 1 HKAF COc1cccc(C(=O)[C@H]2C[C@H]2CN2CC=C(c3c(C)[nH]c4ccccc34)CC2)c1 45211403 YLFWQQFYVZMRSU-REWPJTCUSA-N 400.522 5.093 0 1 HKAF O=c1c(CCO)c(-c2ccccc2Cl)c2cc(Cl)ccc2n1-c1ccccc1 66112284 AURWJBIBZVQHQH-UHFFFAOYSA-N 410.300 5.499 0 1 HKAF CCOc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(CC)(c4ccccc43)[C@@H]2C1=O 68588124 UXMOSFCDANTQEI-GMMLXXJASA-N 423.512 5.046 0 1 HKAF biogenic CC[C@@H](NC(=O)c1ccc2c(c1)nc(C)n2Cc1ccc(F)cc1)c1ccccc1 72179949 PUQMBFLXAIGUDG-JOCHJYFZSA-N 401.485 5.413 0 1 HKAF Clc1ccccc1-c1nc(CN(CCc2ccccc2)Cc2ccccc2)co1 72180096 RVDBTZLHBDOPFZ-UHFFFAOYSA-N 402.925 6.240 0 1 HKAF c1ccc(-c2csc(N3N=C4c5ccccc5CC[C@@H]4[C@@H]3c3cccs3)n2)cc1 95595868 MOSKGJLKTQASHI-WMZHIEFXSA-N 413.571 6.400 0 1 HKAF Cc1ccc(C(=O)CCc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1 96258438 RIIDPCHFYNMIPP-UHFFFAOYSA-N 404.506 5.876 0 1 HKAF c1ccc(CC2C[C@@H]3CC[C@@H](C2)N3CCOC(c2ccccc2)c2ccccc2)cc1 100919122 HPGMQJYYCFTPJC-NSOVKSMOSA-N 411.589 6.278 0 1 HKAF CCC(=O)C[C@@H]1c2cc(Cl)ccc2N=C(n2cncn2)N1c1ccc(Cl)cc1 103176713 FMEABQWGBSQRRL-LJQANCHMSA-N 414.296 5.051 0 1 HKAF Cc1cc(O)cc2c1O[C@@]1(C)CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@@]3(C)[C@@H]1C2 105483191 LRMHPGVONLYGQD-PQBFUDANSA-N 412.614 6.024 0 1 HKAF CCCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CC3CC3)ccc21 145989025 CQLAEMXFJFUNRC-UHFFFAOYSA-N 423.516 6.329 0 1 HKAF Cc1cc(O)c(-c2ccc([C@H](CN)C(C)C)c(F)c2)c2c1[nH]c(=O)c1sccc12 165505039 ZRHFRDOZGCEQFQ-MRXNPFEDSA-N 410.514 5.261 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@H]1c1ccc(-c2ccccc2C)cc1 169728378 JKPRYYGLCUPJOU-DQEYMECFSA-N 415.533 5.653 0 1 HKAF Cc1nc(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)ccc2C)c(Cl)[nH]1 220779410 ZZCZVSKWAAQTCH-UHFFFAOYSA-N 418.928 5.238 0 1 HKAF COc1cc2cc3c(c(O)c2c(O)c1C/C=C(/C)CCC=C(C)C)C(=O)C[C@](C)(O)C3 238751164 SVQACLMZZRRXPC-GVGZKHRGSA-N 424.537 5.375 0 1 HKAF Cc1cc(-c2nc3c(Br)nccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586879774 QUKFNHQWDOGQOH-UHFFFAOYSA-N 408.255 5.061 0 1 HKAF Cc1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)ccc1-c1ccc(C(=O)O)cc1 586881170 VKXRFSOPDQJCME-UHFFFAOYSA-N 400.434 5.065 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 587016931 FFIMTZYCAJKGHK-UHFFFAOYSA-N 423.497 5.519 0 1 HKAF Cc1cc(C)c2nc(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCC4)[nH]c2c1 587030217 ABTUUYGPNUWHDO-UHFFFAOYSA-N 421.953 6.303 0 1 HKAF Brc1ccc(Br)c2[nH]c([C@H]3Cc4ccccc4S3)nc12 587043868 WKKDVGXEOWSELF-GFCCVEGCSA-N 410.134 5.477 0 1 HKAF COc1cc2nc(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2cc1Cl 587047033 SACTUFIXLHPRHV-WAYWQWQTSA-N 421.324 6.092 0 1 HKAF CC(C)(C)c1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1 587067921 BIKRFCZSHGCDOJ-UHFFFAOYSA-N 416.912 6.627 0 1 HKAF Fc1cc2[nH]c(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc2cc1Cl 587071877 TZBPLERFLLQILP-TWGQIWQCSA-N 413.279 6.758 0 1 HKAF CN(C)CCOc1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1 587083283 MDPXFXXAJCBHAT-UHFFFAOYSA-N 401.297 5.025 0 1 HKAF Nc1ccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(C(F)(F)F)c1 587095297 CIELRUDHDRDHLH-UHFFFAOYSA-N 424.142 5.612 0 1 HKAF CCC[C@H]1CC[C@H]([C@H]2CCc3nc4c(C)ccc5c4c(c3C2)-c2ccccc2C5=O)CC1 587102275 ZXFPJCINKJXTFM-ACRUOGEOSA-N 423.600 7.466 0 1 HKAF O=C(c1ccc(C(F)(F)F)cc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104479 WJKIZDRCMQWQLV-UHFFFAOYSA-N 403.359 5.696 0 1 HKAF COc1nc(N2CCCC2)ccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106045 LDQYGHBOYNYFAD-UHFFFAOYSA-N 407.473 5.117 0 1 HKAF CCOC(=O)c1ccc2nc(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3F)[nH]c2c1 587144369 JLRQUMQZWNXNLJ-UHFFFAOYSA-N 418.424 5.219 0 1 HKAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(Br)cc(F)c3[nH]2)c1 587242252 QAFKQZJEHKKOAF-UHFFFAOYSA-N 422.254 5.184 0 1 HKAF C[C@@]1(c2cnc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328961 LEALHIWOAPQNER-NQIIRXRSSA-N 418.251 5.507 0 1 HKAF C[C@]1([C@@H]2C[C@H]2c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331359 PJQFBRIIGAAJIV-OKHDYOJBSA-N 422.883 6.106 0 1 HKAF C[C@]1(c2ncccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331445 QJDODCRDEYRRJJ-RXVVDRJESA-N 417.358 5.219 0 1 HKAF C[C@@H]1CCCC[C@H]1N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587342314 DHHKBZQJFGHPDD-CUHUQNRHSA-N 423.528 5.304 0 1 HKAF Cc1ccc(C2(c3ccc(C)o3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 587348175 CPVAJUHUJXMUKM-QHCPKHFHSA-N 418.420 5.637 0 1 HKAF COC(=O)CCCC[C@H](C)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587361769 ABVVXFSILJAQRH-KRWDZBQOSA-N 417.505 6.494 0 1 HKAF COc1cccc(-c2cc(-c3ccc4c(c3)CCCN4)nc3c2oc2ccccc23)c1 587363134 NOVKQUMWIHSGJD-UHFFFAOYSA-N 406.485 6.682 0 1 HKAF COc1cccc(-c2cc(/C=C/c3ccc(C=O)cc3)nc3c2oc2ccccc23)c1 587366070 QGQCJEYEUXRMBE-BUHFOSPRSA-N 405.453 6.640 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](c2ccc(C)cc2)CC3)c1 587366398 LWTLQCNJJDQKAK-OAQYLSRUSA-N 405.497 7.043 0 1 HKAF COc1ccc([C@@]2(c3ccc(Cl)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1C 587377970 LLIOQYNMLXPGMR-DEOSSOPVSA-N 407.897 5.457 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(C)(C)C)cc(Br)c1O)O2 587378317 UGRNGYACSSRLMC-KRWDZBQOSA-N 404.304 5.049 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(Cl)cc3)nc3sccn13)O2 587415465 SWQJRBGTTIRHKV-QGZVFWFLSA-N 409.898 5.313 0 1 HKAF O=C1C[C@@]2(CCN(Cc3ccccc3)c3ccccc32)Oc2c1ccc1c2CCCC1 587512995 HGYLSYFLJWOLEK-MUUNZHRXSA-N 409.529 5.836 0 1 HKAF C[C@H]1CCCN(c2ccc(N)c([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)C1 587513811 LGFMFPDEHHAFND-QLXKLKPCSA-N 404.554 5.265 0 1 HKAF CC(=O)c1ccc([C@]2(C(=O)c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520896 CIEZCWTZKQOGQW-NDEPHWFRSA-N 424.496 5.512 0 1 HKAF Cc1ccc(OCc2nc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cs2)cc1 587536302 UCHSJCTVBMZWEK-QFIPXVFZSA-N 405.519 5.616 0 1 HKAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br 587541094 SQHDZUZZHLPTBR-NQIIRXRSSA-N 411.251 5.166 0 1 HKAF C[C@@]1(c2cc(Cl)cc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544600 FPDAWPWRORRROW-RXVVDRJESA-N 401.245 5.576 0 1 HKAF C[C@@]1(c2cc(C(F)(F)F)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547973 MLPPRBIPETXFCX-RXVVDRJESA-N 418.342 5.427 0 1 HKAF CCOc1cccc2cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)oc12 587615002 FFIAOESXQBOXMS-PXDATVDWSA-N 416.429 5.414 0 1 HKAF C/C(=C\c1cc(Cl)ccc1O)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587702963 PVUFTKWXRQALAX-MTADDZLKSA-N 410.714 5.626 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2CCCCF)N1 587720669 TYWQARHHRYSHOC-SZNDQCEHSA-N 408.330 5.678 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2CN2CCCCC2)N1 587766264 MWZJTYURZPLDQF-NYHFZMIOSA-N 417.366 5.198 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587815967 RVODBUQJPIIPJU-BXKMTCNYSA-N 424.357 6.031 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(C=O)c2)(C2CCCC2)N1 587821190 TUWLFBSYWXKZSO-FPTDNZKUSA-N 416.334 5.369 0 1 HKAF CCCCC/C(=C\c1ccccc1)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587821571 VWMIMKRKFJTCHO-GIXNKHKXSA-N 416.378 6.827 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2C(=O)c2ccccc2)N1 587824819 YWWCZOHHUIJGAU-UVQUFPMPSA-N 416.334 5.391 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc3ccccc3o2)(C(C)(C)C)N1 587828420 NHTLOHSYZOHWHU-WHEQGISXSA-N 416.334 6.158 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1ccc(O)cc12 587835733 XVANADWSCQRUGK-AMXDTQDGSA-N 410.286 5.100 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCN(Cc3cccs3)CC2)N1 587850956 GWJNZXJIXDVYHP-XCLFUZPHSA-N 423.395 5.137 0 1 HKAF Cc1ccc(-c2ncc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 587852204 FBTRFIPJZRFSGI-BLVKFPJESA-N 417.347 5.644 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccccc3)cs2)N1 587853242 LRCLQPGPLZUSPW-VOJFVSQTSA-N 403.320 5.335 0 1 HKAF CC(C)c1cc(OC(C)(C)C)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O 587945230 KZYVXXZFHVXVOR-UHFFFAOYSA-N 423.528 6.904 0 1 HKAF CC(C)CCCCCCCCCCCCCCCCCc1nc2cccc(F)c2[nH]1 587957793 VBAVTRZDHXVMKT-UHFFFAOYSA-N 416.669 9.142 0 1 HKAF CC[C@]1(Cc2nc3cc(Br)c(F)cc3[nH]2)CC(=O)c2ccccc2C1 587958924 AFMONEBMMLNLNE-HXUWFJFHSA-N 401.279 5.233 0 1 HKAF CC/C(=C\c1nc2c(Br)cnc(Br)c2[nH]1)c1ccc(C)cc1 587968556 UQPNDIGXBDZVTL-DHZHZOJOSA-N 421.136 5.742 0 1 HKAF C[C@H](C(=O)c1ccccc1)[C@]1(C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962629305 JKVMLZDBANVKKA-LFGPKHSOSA-N 410.561 5.168 0 1 HKAF CCC[C@H]1CC[C@H](C2CCC3(CC2)NCCc2cccc(-c4ccccc4)c23)CC1 962661818 KSTOFZXKURDMQR-UMGLRJHLSA-N 401.638 7.491 0 1 HKAF FC(F)(F)[C@@]1(c2ccc(Cl)c(Cl)c2)NCCc2c(Cl)cc(Cl)cc21 963127236 ZYBKRXHLWKWKGH-HNNXBMFYSA-N 415.069 6.252 0 1 HKAF COc1ccc(OC)c2c1C[C@H]1c3cc(Cc4cccc(C)c4)sc3CCN1C2 1857758485 JDWIVNPPBKXXNU-QFIPXVFZSA-N 405.563 5.320 0 1 HKAF COC(=O)c1ccc(O)c(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)c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c2ccc[nH]2)=NC1=C1c2[nH]c3cc2[C@@H](C(C)C)[C@H]1CCCCCCCC3 2356800826 QHVWBQZLPWFJJV-DVECYGJZSA-N 417.597 6.743 0 1 HKAF O=C(/C=C/c1ccc2ccccc2c1)NCc1ccc(C(=O)NCc2ccccc2)cc1 1862859 OOVJNXMYROIWAK-GHRIWEEISA-N 420.512 5.099 0 1 HKAF COc1cc2ccccc2cc1C(=O)Nc1nc2ccc3sc(C)nc3c2s1 4174127 APUBBCCSCZJGFO-UHFFFAOYSA-N 405.504 5.629 0 1 HKAF Clc1ccc([C@@H](c2c[nH]cc2-c2ccc(Cl)c(Cl)c2)n2ccnc2)cc1 5974145 FTYNXBTULMRXPC-FQEVSTJZSA-N 402.712 6.476 0 1 HKAF Fc1ccc(-c2[nH]c3ccc4nc(Cc5ccccc5)[nH]c4c3c2-c2ccncc2)cc1 13487224 ZGXVMEYUYQMAQX-UHFFFAOYSA-N 418.475 6.503 0 1 HKAF O=C(O)CCCc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1 13554028 LBBIICCAWUTPLB-UHFFFAOYSA-N 422.524 7.007 0 1 HKAF CCCC[C@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)O)c(OC)c3)c2c1 26497668 JZJQVWMVYRERMF-SFHVURJKSA-N 422.525 5.551 0 1 HKAF O=C(NCCCCN1CC[C@H]2c3ccccc3CC[C@@H]21)c1ccc(-c2ccccc2)cc1 26721970 GQTWYBPXHKYSKB-NSOVKSMOSA-N 424.588 5.668 0 1 HKAF CC1(C)CCC(C)(C)c2c1ccc([C@@H](O)c1ccc3cc(C(=O)O)ccc3c1)c2F 26723795 KEUQZMJUCPEICZ-QHCPKHFHSA-N 406.497 6.108 0 1 HKAF COc1ccc([C@@H]2C[C@@H](CCCc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 26747677 BBDLJCRCTPAJNG-GJZUVCINSA-N 415.533 5.821 0 1 HKAF Cc1c(C(=O)c2ccc(Oc3ccccc3)cc2)oc2cc(-c3ccccc3)cc(O)c12 27522551 ISYPZYMHWUHYHL-UHFFFAOYSA-N 420.464 7.137 0 1 HKAF CC(C)N(C(=O)[C@@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@@H]3CCC(=O)N4C)[C@@]2(C)C1)C(C)C 27898378 VMAUAPIAAHKASV-HNUPIXLVSA-N 416.650 5.111 0 1 HKAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@H]1N(C)Cc1ccccc1 28242330 DZLXIAFYUJZFJC-RTWAWAEBSA-N 405.369 5.790 0 1 HKAF CCCCCCOc1c(/C(C)=C\C=C\C(C)=C\C(=O)O)cc(C(C)C)cc1C(C)C 28468894 VTUYATVOWGSQFU-AQIGWABESA-N 412.614 7.883 0 1 HKAF in-vivo FC(F)(F)Oc1ccc(C2=NC[C@H](c3cc(Cl)cc(Cl)c3)N2)cc1Cl 28948585 PCSHOZRRLWJMKY-CYBMUJFWSA-N 409.622 5.637 0 1 HKAF CC(=O)c1ccc2oc(-c3ccc(NC(=O)COc4ccccc4C)cc3)nc2c1 29049163 INVQEIMCIVIAPD-UHFFFAOYSA-N 400.434 5.023 0 1 HKAF CCOc1c(-c2cccc3cc(/C(C)=C/C(=O)O)sc23)cc(C(C)C)cc1C(C)C 29340373 ROMUEEKDVNXHBX-GZTJUZNOSA-N 422.590 7.702 0 1 HKAF CC(C)CCC[C@@](C)(O)[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 40164534 PRZXKPDANWDCNC-FWJDAGNYSA-N 418.662 5.619 0 1 HKAF endogenous,in-man Cc1c(NCCCNCc2cc(Cl)cc(Cl)c2Cl)[nH]c2ccccc2c1=O 45190702 WZNOXDUZPUWWJO-UHFFFAOYSA-N 424.759 5.389 0 1 HKAF C[C@H](CN(C)C)C(=O)Nc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)c1 45196346 MBUSBNGLQILSPH-OAHLLOKOSA-N 404.539 5.095 0 1 HKAF Cc1c(-c2nc[nH]c2C(C)C)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1 45255880 GJNMOEFPCPQQTK-UHFFFAOYSA-N 411.336 6.668 0 1 HKAF COc1cccc(-c2cc3nccc(-c4ccc(OC)c(OC5CCCC5)c4)n3n2)c1 45390812 ONQFQIUSPZLXLL-UHFFFAOYSA-N 415.493 5.402 0 1 HKAF CC(C)c1ccc(-n2ncc(Cl)c(Oc3ccc(Cl)c(Cl)c3)c2=O)cc1 66156476 YABUAIOJPKDZME-UHFFFAOYSA-N 409.700 6.108 0 1 HKAF O=C1C(C2=Nc3ccccc3N[C@@H](c3cccc([N+](=O)[O-])c3)C2)=C(O)c2ccccc21 68583031 RTPRCVZNDZDVKX-HXUWFJFHSA-N 411.417 5.390 0 1 HKAF biogenic Cc1cc(OCCO)cc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 71332106 MHYIZVPQCSHBHD-UHFFFAOYSA-N 420.292 5.494 0 1 HKAF O=C1/C(=C\c2cccc(Cl)c2)c2ccccc2N1c1c(Cl)cccc1Cl 98082055 KTLYEUMAYKMFOE-VBKFSLOCSA-N 400.692 6.866 0 1 HKAF O=C(O)CCC/C=C\C[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1/C=C/[C@H](O)CCc1ccc(Cl)cc1 102182486 OWLWEPFVFFUXLA-NOTBJLNSSA-N 414.973 5.829 0 1 HKAF CC[C@@H](Nc1ccc(C)c(CN2CC(C)(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 118401556 RTVWTKQTQHWWAY-OAQYLSRUSA-N 400.950 5.427 0 1 HKAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2ncc(C)s2)c1 167851066 FMAOIOLKTPUQSK-BEFAXECRSA-N 422.550 5.245 0 1 HKAF CCN(CC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 169335740 XCPAQQVJFUBFMM-HSZRJFAPSA-N 415.364 6.098 0 1 HKAF CCOC(=O)C1=C(c2ccsc2)N=C(C)[C@@H](C(=O)OCC)[C@@H]1/C=C/c1ccccc1 169715028 RHMOBIXFXQSYNJ-ONNIGLJISA-N 423.534 5.006 0 1 HKAF CC1(C)C[C@@H](c2ccccc2)C(CN2CCC(c3noc4cc(F)ccc34)CC2)=NO1 473081259 BELOOOVTNYOWCO-NRFANRHFSA-N 421.516 5.485 0 1 HKAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc4c(c3[nH]2)CCCC4)cc1 586949811 BBNZMBAZSNABHT-UHFFFAOYSA-N 417.534 5.218 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2ncc(Cl)c(Cl)c2[nH]1 586980271 MPZKJUBEVPCPHE-UHFFFAOYSA-N 422.113 5.793 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2ccc(C)c(C)c2[nH]1 586981331 IAWYSFSJHVGSBV-UHFFFAOYSA-N 401.348 6.568 0 1 HKAF Fc1c(Br)cc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1F 587005378 GKQZLLZXQNBDIO-UHFFFAOYSA-N 423.442 5.082 0 1 HKAF FC(F)(F)Sc1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587052304 ZYFBJFHSUGBZRO-ZJUUUORDSA-N 403.256 6.753 0 1 HKAF CC(C)(C)c1ccc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 587070857 IGAVUJFFRXCZGO-HTAITHJFSA-N 413.392 7.533 0 1 HKAF Cc1cc2[nH]c(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)nc2c(C)n1 587071963 RGKDYZRORAHCDT-INIZCTEOSA-N 400.910 5.037 0 1 HKAF FC(F)(F)Sc1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1 587083317 NYCBNMBZBRKQGW-UHFFFAOYSA-N 414.239 6.697 0 1 HKAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(CC)cc4[nH]3)nc2n1 587114829 JKCRSRRPOGKHQB-UHFFFAOYSA-N 419.476 5.591 0 1 HKAF COc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c(F)c2)c(F)c1 587149761 AUYNTUCKNFPOGS-UHFFFAOYSA-N 404.338 6.203 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Cl)cc(Cl)c3[nH]2)c(Cl)c1 587159664 SDTDFPWGNSISMK-IBGZPJMESA-N 421.686 6.831 0 1 HKAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 587159937 YXCBIEOIJWVQBV-UHFFFAOYSA-N 412.346 5.607 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccc(Br)n3)cc1)O2 587371929 IDKPSHCJKHUBHV-IBGZPJMESA-N 409.283 5.108 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)O2 587382463 RNJFMPIZHBGKSG-QFIPXVFZSA-N 419.349 5.182 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCN(Cc1ccccc1)C(=O)OC(C)(C)C)O2 587386000 GJBQWDWZMWQFJU-RUZDIDTESA-N 424.541 5.129 0 1 HKAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccccc1 587400154 OJOGOZGVTWTXQB-QHCPKHFHSA-N 403.478 5.261 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CC13CC4CC(CC(C4)C1)C3)(c1ccccc1)O2 587402668 GHQOALKBLYNILS-JMYRGNFHSA-N 401.550 6.044 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(CN4CCC(C)CC4)c(C)cc1C)[C@@H](C2)C3=O 587439919 XOYSPJCTJJLSKX-NVQXNPDNSA-N 405.538 5.033 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Oc1ccc(Cl)cc1Cl)CC2=O 587459147 CHOXEZZPZLJFAF-QKVFXAPYSA-N 409.309 5.843 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3cc(Br)cnc3c1)CC2=O 587459927 QRGNQPWBQZEVIE-FQEVSTJZSA-N 412.283 5.362 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(SC(F)(F)F)c(OC)c1)CC2=O 587464588 UEJBBAOPIHSRNW-INIZCTEOSA-N 412.429 5.672 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1cc(Br)ccc1F)CC2=O 587466978 OOOVRBNIZHEGHF-HXUWFJFHSA-N 407.279 5.517 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccccc3OC)cc1)CC2=O 587483006 TWPDHBSDFQMKBG-AREMUKBSSA-N 402.490 5.901 0 1 HKAF O=C1C[C@](Cc2cccnc2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587499302 IGNVNPOZRKNHQK-RUZDIDTESA-N 403.909 5.717 0 1 HKAF O=C1C[C@@]2(CCCc3c2cnn3-c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587502055 BKIBEVHFEZVWRH-RUZDIDTESA-N 402.469 5.087 0 1 HKAF O=C1C[C@H](c2c(F)cc(OCc3ccccc3)cc2F)Oc2c1ccc1c2CCCC1 587509805 WTMVBRUCRRGWHZ-XMMPIXPASA-N 420.455 6.129 0 1 HKAF CC(C)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1ccc3c(c1O2)CCCC3 587517708 SLDJBWZYPPBMPK-NBGIEHNGSA-N 413.558 5.325 0 1 HKAF CC[C@H](C)n1nc(C)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542837 AHWCTQCDFZRHLZ-KKYRWEBSSA-N 412.873 5.224 0 1 HKAF Cc1cc(OC(F)(F)F)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557428 RNQAAFQTSBZTHT-WIYYLYMNSA-N 416.351 5.302 0 1 HKAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(C)(C)C 587590306 BOBVOGWFAAPRNB-ZJSXRUAMSA-N 404.462 5.401 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1-c1ccsc1 587616538 DLKOHXDWADFLKH-AUSIDOKSSA-N 401.443 5.219 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc4c(c3)NC(=O)CO4)c(C(=O)C(F)(F)F)c2c1 587642495 SMMWRMCCMQGUTB-NSHDSACASA-N 416.399 5.424 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(C(=O)C(F)(F)F)c2c1 587642966 XWJANKLTTAGTJV-JTQLQIEISA-N 414.254 7.400 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(F)cc2F)N1 587725338 PRHIHYGJONAYAX-PRWKNARSSA-N 421.260 5.281 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3cccc(F)c3)s2)N1 587728441 DZDQGNIMRMDFIU-YPMLDQLKSA-N 421.310 5.474 0 1 HKAF COc1ccccc1-n1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587754458 MCIUKWHZPCULBF-LRTDBIEQSA-N 415.306 5.011 0 1 HKAF Cc1cc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(-n2cccn2)c1 587762350 XSCPJKAXDRCSPN-SPLOXXLWSA-N 414.322 5.014 0 1 HKAF Cc1ccccc1-c1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587821207 TVWRPAONZUSKFM-IQMFZBJNSA-N 410.330 6.187 0 1 HKAF Cc1cc(C)c2c(c1)[C@@]1(CCCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587836137 RSFUPRMRVPNFHS-SZNDQCEHSA-N 404.323 5.155 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SC(C)(C)C)cc2)N1 587841156 QDABFAMVLFJXLW-CWTRNNRKSA-N 408.380 6.102 0 1 HKAF Cc1ccsc1[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587845020 QFKLCHATBRVFHN-LHSJRXKWSA-N 416.359 5.784 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1cccc(F)c1 587865183 RWHBEDNZUGGLMI-UHFFFAOYSA-N 409.408 5.352 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccc(Cl)cc1C 587871362 UVGUJZXRODHCIM-CQSZACIVSA-N 402.853 5.157 0 1 HKAF COc1ccc(C[C@H](C)c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1OC 587927132 RSRYBOPYGZDLNY-NSHDSACASA-N 403.320 5.306 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(Cl)cnc2[nH]1 587948896 LDRHINNOMPDZSG-PTSWNOGYSA-N 411.933 5.896 0 1 HKAF Cc1ccccc1-c1ccc(Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 587959565 PJMJHGUVMMSLON-UHFFFAOYSA-N 404.513 6.708 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c(/C=C(/CC)c3ccc(C)cc3)nc2c1 587968021 RRNQOWIWZZESEL-OWBHPGMISA-N 413.315 5.761 0 1 HKAF COc1ccc(CNc2c(-c3cc(Cl)cc(Cl)c3O)nc3ccccn23)cc1 653717549 RFGGYPNQIXQVRN-UHFFFAOYSA-N 414.292 5.634 0 1 HKAF Cc1c(F)ccc2c1[C@](c1ccccc1Cl)(c1ccccc1CN1CCC1)NCC2 962297111 IEDUAZSPVKBKKG-AREMUKBSSA-N 420.959 5.431 0 1 HKAF COc1ccc2c(c1OC)[C@](c1cc(Cl)cc(Cl)c1)(C1CC1)N(C)[C@H](C)C2 962634118 PYVUZQQOUWELQO-MCMMXHMISA-N 406.353 5.541 0 1 HKAF C[C@@H](Oc1ccc2ccc(=O)oc2c1)[C@]1(C)NCCc2cccc(-c3ccccc3)c21 962669901 PTIJFWJADACANI-CLYVBNDRSA-N 411.501 5.288 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cccc(-c3ccccc3Cl)c2)N1 962955177 XRXDZLWHFWMIFF-NIYFSFCBSA-N 400.953 6.676 0 1 HKAF CCOC(=O)c1ccc([C@]2(C(F)(F)F)N[C@H](CC)Cc3c2[nH]c2ccccc32)s1 962960067 RWSZEEQNGMKMOH-ODXCJYRJSA-N 422.472 5.136 0 1 HKAF COc1cccc2cc3c(nc12)[C@](c1ccc(Cl)cc1F)(C1CCCC1)NCC3 963062153 WNLWDYSAJLPTMR-XMMPIXPASA-N 410.920 5.615 0 1 HKAF Cc1c(C)c2ccc(OC[C@@]3(C)c4ccc(F)cc4C[C@@H]4CCCN43)c(C)c2oc1=O 963113242 SPZDJRZNZYTVHY-FNZWTVRRSA-N 421.512 5.172 0 1 HKAF Fc1cccc2c1[C@](c1ccc(Br)cc1)([C@H]1CCCO1)N1CCC[C@@H]1C2 963117002 YKLAXALZJINEOB-UZKOGDIHSA-N 416.334 5.031 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCCCC(=O)O)c1ccc(C(C)C)cc1 963256551 DPAZPDKGZKDIKI-KDYSTLNUSA-N 407.598 6.355 0 1 HKAF C[C@H](NC(=O)C1CC1)c1ccc(CN2CCc3cc(OCC4CCC4)ccc3C2)cc1 1772620523 QLSSTSSUEURBDS-IBGZPJMESA-N 418.581 5.011 0 1 HKAF Cc1cccc(C)c1-c1cccc(COc2ccc([C@@H](CC(=O)O)C3CC3)s2)c1 1772638178 FQEVYRYSOCPUIK-NRFANRHFSA-N 406.547 6.579 0 1 HKAF CCCCCCC(=O)Nc1ccc2c(c1)CCC/C2=C/c1ccc(C(F)(F)F)cc1 1857558128 LEYTYCSDIOQKGO-MNDPQUGUSA-N 415.499 7.491 0 1 HKAF CCCCCc1cc(O)c2c(c1)O[C@](C)(CCCC(C)(C)c1ccc(C)cc1)CC2 1857767423 HVACNJHBAXOENX-MUUNZHRXSA-N 408.626 7.665 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@H](CO)CC[C@]4(C)[C@H]3CC[C@@]12C)C(C)C 2356312486 CDSMIJAJMQGGLT-HZLGNMAVSA-N 414.718 7.882 0 1 HKAF CCCCCC=CC(=O)O[C@@H]1C[C@H]2[C@H](CCC[C@H]2CCCC[C@H](O)CCC)N[C@H]1C 2356454603 QNAATLGQMSSVEO-QBYMRDTHSA-N 421.666 5.923 0 1 HKAF CC(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C[C@H]5CC[C@@]43C)[C@H]12 2356581509 YDLVXIYVBHVQSY-MHXGOWEBSA-N 400.691 7.469 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356584336 BQMSKLCEWBSPPY-GBJNRSLTSA-N 418.662 5.474 0 1 HKAF CC[C@H](C)CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356635714 IBWBTXGHONHYOZ-CPRKLNMFSA-N 400.691 7.779 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356705621 XCQNGBGTCUKMDI-IJSQQXRHSA-N 416.646 5.250 0 1 HKAF O=C(Nc1cccnc1SC[C@H]1CCCN2CCCC[C@H]12)c1ccc(Cl)cc1 2356761544 NXHAKVGXQVEYOV-YLJYHZDGSA-N 415.990 5.344 0 1 HKAF COc1ccccc1CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 773712 KATOHDZSNORJQJ-UHFFFAOYSA-N 402.425 5.086 0 1 HKAF CCOc1cccc(-c2onc(-c3ccccc3F)c2C(=O)NC2CCCCC2)c1 775021 SYLYPUVKCJEOJV-UHFFFAOYSA-N 408.473 5.609 0 1 HKAF CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)c(-c2ccccc2)s1 3833994 GDPHSKJEYFGMHV-UHFFFAOYSA-N 419.377 7.663 0 1 HKAF CC(=O)Oc1ccc(C(=O)Nc2cccc(NC(=O)CCC3CCCCC3)c2)cc1 27082404 TZXDMYMHZNTSNJ-UHFFFAOYSA-N 408.498 5.163 0 1 HKAF CC(C)=CCc1c(O)c([C@H](O)CC(C)C)c(O)c2c(-c3ccccc3)cc(=O)oc12 28526356 JPWHZIBGIUZCIG-LJQANCHMSA-N 408.494 5.459 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cn1cnc2ncnc(N)c21 28816827 ARJRLRARWXKVPD-FLPKSHQQSA-N 407.606 6.554 0 1 HKAF CN(C)CC[C@H](Oc1ccc(F)cc1)c1ccc(OCCCN2CCCCC2)cc1 28892915 QSUBPHSKNHPROP-VWLOTQADSA-N 414.565 5.152 0 1 HKAF COc1c(OC)c(OC(=O)C(C)(C)C)c2cc(C)c(C)cc2c1OC(=O)C(C)(C)C 29310961 FVNILDMJTSXFEE-UHFFFAOYSA-N 416.514 5.377 0 1 HKAF COc1ccc2c(Nc3c(Cl)cncc3Cl)ncnc2c1OC1CCCC1 49089861 ZHOWXBSNFBWDAS-UHFFFAOYSA-N 405.285 5.405 0 1 HKAF Brc1cc(Br)c2n(-c3ccccc3)nc3ccccc3c1-2 68583810 DTWYVJOFZOANHB-UHFFFAOYSA-N 402.089 5.655 0 1 HKAF biogenic Cc1cnc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2ccco2)o1 82166004 PVHYCJRAFRBWJT-UHFFFAOYSA-N 416.359 5.211 0 1 HKAF Cc1ccccc1-c1nc(NCCOc2ccccc2)ncc1-c1nc(C)c(C)s1 82177364 PODPZANLUYFXLL-UHFFFAOYSA-N 416.550 5.683 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccsc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82184997 FVDAZEMSJUHOKE-CQSZACIVSA-N 411.962 5.866 0 1 HKAF CCCCC[C@H](O)/C=C/C=C/[C@H](CCC[C@@H](CCC(=O)O)CCC(C)C)CNC 85491011 BKMFGLMMBZOPSA-VPRLQUPJSA-N 409.655 5.963 0 1 HKAF biogenic,in-vitro Cc1oc(-c2cccc(OC(=O)NCCCCCCc3ccccc3)c2)cc1C(N)=O 95555339 BGVKGSQKNCQLDU-UHFFFAOYSA-N 420.509 5.245 0 1 HKAF CCNCCOc1cccc2[nH]c(C(=O)c3ccc(Oc4ccccc4)cc3)cc12 95562484 AIQAIDCPWLBCGX-UHFFFAOYSA-N 400.478 5.180 0 1 HKAF CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1cccc(F)c1 103230094 ANPIJEKAJCRTKL-UHFFFAOYSA-N 401.758 5.291 0 1 HKAF N=C(Nc1cccc(Cc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1 103253461 RLJQIVWQFDWUJL-UHFFFAOYSA-N 416.575 6.275 0 1 HKAF Clc1cccc2c1SCCC2(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 103253756 LQINBOZGCOJWRS-UHFFFAOYSA-N 414.961 7.133 0 1 HKAF Cc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2N2CCC(C)CC2)cc1 144183834 PROWEEAMTZHKEB-UHFFFAOYSA-N 414.958 5.266 0 1 HKAF CC(=O)[C@]12CCCC[C@@H]1C[C@H]1[C@@H]3C[C@@H](C)[C@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 195209023 YYJQALYDDZZWSF-HFVLXDBKSA-N 400.603 5.335 0 1 HKAF Cc1cc(C)cc(S(=O)(=O)c2cnc3cc(F)ccc3c2N2CCC(C)CC2)c1 201539297 RBFIJONAGUAEPV-UHFFFAOYSA-N 412.530 5.060 0 1 HKAF C/C1=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC1 238760142 WSUOURBTDCUBEX-YPOQHXKCSA-N 408.714 10.359 0 1 HKAF CC[C@H]1[C@H](O)C[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@H]5CC[C@]43C)[C@H]12 255222469 KEXCKZCLTTUBOQ-NTXKMMOESA-N 412.702 7.779 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 261495617 DDJMOMHMVFXEQF-GYILXMFYSA-N 400.691 7.923 0 1 HKAF endogenous,in-man CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC 299880601 MNWFCGYYUOPBCQ-LWZKNFMGSA-N 416.606 5.347 0 1 HKAF CN(C)CCCOc1ccc(-c2nc3ccc(Oc4ccc(Cl)cc4)cc3o2)cc1 473108498 MIIPHTIEMLFEBZ-UHFFFAOYSA-N 422.912 6.271 0 1 HKAF Cc1ncc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c(C)c1Br 586979629 SEFHYZNIUHPBRQ-UHFFFAOYSA-N 408.299 5.583 0 1 HKAF CCCc1c([C@@H]2CCOC(C)(C)C2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990453 FQESYHMQGRYLSJ-OAHLLOKOSA-N 401.506 5.777 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(Br)c(F)c4)nc13)-c1ccccc1C2=O 586996129 PQKVMYIDCKUUSV-UHFFFAOYSA-N 418.265 6.323 0 1 HKAF Cc1cc2c(Br)ccc(-c3nc4cc(Br)c(C)nc4[nH]3)c2o1 587004758 ZTOZZTYCQKPCLU-UHFFFAOYSA-N 421.092 5.513 0 1 HKAF Fc1c(Br)ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 587016294 UTJAISYPEBOHNM-UHFFFAOYSA-N 408.683 5.908 0 1 HKAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)s1 587023697 UINQSLKEEJMCBU-UHFFFAOYSA-N 402.373 5.191 0 1 HKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 587070364 SHWNUAGNQYZJHZ-INIZCTEOSA-N 404.897 6.172 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(Br)cc(F)c2[nH]1 587073439 FWZNCVOQJUMYDD-UHFFFAOYSA-N 415.693 6.760 0 1 HKAF COc1ccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(Cl)n1 587084032 SDTPQDJLJAPKCU-UHFFFAOYSA-N 406.589 5.068 0 1 HKAF FC(F)(F)c1cc(-c2cccc(-c3nc4ncc[nH]c-4n3)c2)cc(C(F)(F)F)c1 587110846 FFCGEKZRQJPXNO-UHFFFAOYSA-N 408.305 5.676 0 1 HKAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)cc2N1 587122604 CHOAFXJZKPOOQF-XIKOKIGWSA-N 413.403 5.526 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc2c1 587128178 HEWMLWQFCOUSPJ-UHFFFAOYSA-N 419.840 5.731 0 1 HKAF O=C(Nc1ccccc1)c1ccc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)cc1 587243192 CYEDPUOAORPHCJ-UHFFFAOYSA-N 419.484 6.061 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](NC(=O)OC(C)(C)C)C3)c1 587364011 YKLBPAIRCVIQOY-SFHVURJKSA-N 416.477 5.779 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cccc(C)c2OCC3)c1 587365961 LMDLCHKOQSGKOX-UHFFFAOYSA-N 407.469 6.567 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCc3sc4ccccc4c32)[C@@H]1c1ccc(F)cc1 587373631 MJMYXLPXVYNRAM-RDGATRHJSA-N 416.473 5.947 0 1 HKAF CCc1nc2c(s1)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587375480 SVYARCQQAIIUAZ-NFBKMPQASA-N 409.482 5.141 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C(=O)c1ccc(F)cc1)(c1ccc(F)cc1)CC2=O 587465874 HRZHHGRBPMHUSP-VWLOTQADSA-N 422.427 5.367 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(Br)cc1F)CC2=O 587466251 MSVQNYFLKQTKAO-QGZVFWFLSA-N 413.670 5.606 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](CC)c1ccccc1)CC2=O 587489236 NRRLUCSIETYVKQ-KCWPFWIISA-N 400.518 6.399 0 1 HKAF CCC[C@H](N1CCCC1)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514783 PIQCPTLDQIFOIZ-AHKZPQOWSA-N 403.566 5.691 0 1 HKAF C[C@]1(c2c(-c3ccccc3)nn3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587528359 XYXUTTVVISSNDP-HHHXNRCGSA-N 408.501 5.761 0 1 HKAF CCOc1cccc(OCC)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592961 BLXUCWUBXHUYMT-RCZVLFRGSA-N 420.461 5.067 0 1 HKAF COc1ccccc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587599911 IXCQFDDWOFVLDN-IGKIAQTJSA-N 424.452 5.771 0 1 HKAF O=C(O)c1cccc2c(-c3nc4ccccc4o3)c(-c3ccc(C(F)(F)F)cc3)[nH]c12 587638283 VUYWATUDJNFKHL-UHFFFAOYSA-N 422.362 6.360 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc(Cl)c2Cl)N1 587697584 WUDVFRDDIHRIJK-HYORBCNSSA-N 423.540 6.172 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ccc3cccnc23)N1 587701184 WSHFOIHTEUUOIK-GIGQVBGESA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccccc2F)N1 587730696 XNRZYGSYKWIYAP-YUNKPMOVSA-N 403.270 5.142 0 1 HKAF CCOc1cc2c(cc1[C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)CCC2 587802842 VJCFEOFWYTWHGI-GTJPDFRWSA-N 404.323 5.099 0 1 HKAF COc1ccccc1[C@@]1(C2CCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587804106 AUGGTAPJUBWDDM-RCDICMHDSA-N 418.350 5.565 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccccc2)N1 587812193 ITPJTCIYBGWFFB-MWTRTKDXSA-N 410.330 5.609 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccsc3)s2)N1 587846830 IKMBDTZIZADCIE-XTZNXHDOSA-N 408.361 6.002 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccccc3)s2)N1 587854934 SPAKAGWBIHBNAJ-ADLMAVQZSA-N 403.320 5.335 0 1 HKAF Cc1csc2sc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C)c12 587857924 NLQVPSCOACMNJP-JDNHERCYSA-N 410.377 6.105 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1ccc(Cl)cc1Cl 587861907 XXGCARRLGLQMPO-UHFFFAOYSA-N 401.215 5.933 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1c(F)cc(F)cc1Cl 587865122 RABQJKCAYVMOKH-UHFFFAOYSA-N 402.750 5.888 0 1 HKAF COc1cccc([C@H](C)Cc2nc3cc(Br)c(Br)cc3[nH]2)c1 587930580 KGRCDFNFBMJMQK-SNVBAGLBSA-N 424.136 5.443 0 1 HKAF CC(C)(C)c1ccc(-c2cc(O)n(-c3ccc(-c4cccc(F)c4)c(F)c3)c2O)cc1 587946336 VWHOVVKFBQOQPH-UHFFFAOYSA-N 419.471 6.798 0 1 HKAF Clc1ccc(Nc2cc(Nc3ccc(Cl)c(Cl)c3)ncn2)cc1Cl 653714845 YXHSVLVDHZOUCD-UHFFFAOYSA-N 400.096 6.577 0 1 HKAF Cc1scnc1C(=O)Nc1ccc(N2Cc3c(Cl)cccc3C2=O)c(Cl)c1 653738239 WHFYJBKUEYVYEX-UHFFFAOYSA-N 418.305 5.171 0 1 HKAF COc1ccc([C@@H](C)C(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC 653773266 UUFGHAYJXQWEOV-CYBMUJFWSA-N 400.446 5.022 0 1 HKAF CC1(C)CC(=O)C(C[C@]2(c3ccccc3)c3ccc(F)cc3C[C@@H]3CCCN32)C(=O)C1 963106317 RKUDLJXQKPPFHQ-IDISGSTGSA-N 419.540 5.054 0 1 HKAF Cc1nc2ccc(-c3ccc(CN4CCC[C@@H]4CO)cc3)cc2n1CC1CCCC1 1772626045 PFTAYRSHZDFPPJ-XMMPIXPASA-N 403.570 5.159 0 1 HKAF COc1ccc(Nc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccn2)cc1 1857578528 UDWHKDIALKDXEU-UHFFFAOYSA-N 411.461 5.878 0 1 HKAF CCCCCCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 2356396768 VWHXJDUTSLNOGD-LOSJGSFVSA-N 408.711 8.885 0 1 HKAF CCO[C@H](C)c1c(C)cc(O)c(CC=C(C)CCC=C(C)CCC=C(C)C)c1O 2356426124 QCTPGZQDYNRTJA-JOCHJYFZSA-N 400.603 7.465 0 1 HKAF CC1(C)CCC[C@@]2(C)[C@@H]3CCC4=C(C=CN(CCS(=O)(=O)O)C4)[C@@]3(C)CC[C@H]12 2356835390 KRFZVTQRVGSQKF-OHUMZHCVSA-N 407.620 5.043 0 1 HKAF Cc1cc(=O)c2c(o1)O[C@]1(C)CC[C@@H]3[C@](C)(CC[C@@H]4C(C)(C)C(=O)CC[C@@]43C)[C@@H]1C2 2356852838 QTXCTSXJSCIHGH-PSEOHHKLSA-N 412.570 5.480 0 1 HKAF CC(C)(C)c1noc(-c2c(F)cccc2Cl)c1C(=O)NCCc1ccccc1F 777242 VZDCHUYFKFCFCT-UHFFFAOYSA-N 418.871 5.543 0 1 HKAF Cc1[nH]c2ccccc2c1[C@@H]1Cc2ccccc2N1C(=O)/C=C/C=C/c1ccccc1 5892795 OYVODWJYQVPYKM-SEZQTXFKSA-N 404.513 6.376 0 1 HKAF COc1ccc(C(=O)c2cn(C[C@@H]3CCCCN3C)c3ccccc23)c2ccccc12 13672804 ZMGWYGSWRVIQOM-IBGZPJMESA-N 412.533 5.518 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(Cl)c(F)c1)Oc1ccccc1-3 13777118 WNRXXFMGMKLIHP-DEOSSOPVSA-N 405.900 7.235 0 1 HKAF C[C@@]12CCC=C[C@@H]1[C@@H](c1ccc(F)c(Br)c1)N(Cc1ccccc1)C2=O 13830603 HBDGXYCVVBCCOG-NQSCKRDGSA-N 414.318 5.644 0 1 HKAF CC(C)=CCC[C@]1(C)C=Cc2c(ccc3c2OC[C@H]2c4cc5c(cc4O[C@@H]32)OCO5)O1 14614038 BRJDSJJWJLKHSZ-RRWZXMNXSA-N 418.489 5.936 0 1 HKAF biogenic CC(C)=CCC/C(C)=C/CC/C(C)=C/[C@H](O)C/C(C)=C/Cc1cc(O)cc(C)c1O 14691487 WMKPZXIHMKNXKL-UGPGDRJUSA-N 412.614 7.065 0 1 HKAF CCOC(=N)/C(=C1\OC(=N)C(c2ccc(Cl)cc2)=C1O)c1ccc(Cl)cc1 17188161 KGOHFZNXTXWABS-FHYVDVHSSA-N 403.265 5.695 0 1 HKAF Clc1ccc(CN2CCc3ccccc3Oc3c(Cl)cc(Cl)cc32)cc1 26389266 FMEQUJLLGGKCDV-UHFFFAOYSA-N 404.724 7.002 0 1 HKAF O=C1C[C@H](c2ccc(C3CCCCC3)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O 27083432 AALKGCDYNXDWDN-GOSISDBHSA-N 421.924 5.853 0 1 HKAF CN1c2ccccc2N=C(c2ccc(C(=O)O)cc2)c2cc(Br)ccc21 27425182 ZNMHUYYTESIEPJ-UHFFFAOYSA-N 407.267 5.398 0 1 HKAF Clc1ccc([C@H]2CO[C@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 28769182 WJFWSYABOJESIA-MOPGFXCFSA-N 409.700 5.484 0 1 HKAF CN(C)CCOc1ccc2ccccc2c1[C@H](c1ccccc1)c1ccc(Cl)cc1 28955507 VAJWIBIYUKBNEE-AREMUKBSSA-N 415.964 6.614 0 1 HKAF C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@@H](O)C(C)(C)O 33820651 NQYKUNLOUXZDEN-IYPBAUNVSA-N 414.630 5.481 0 1 HKAF C[C@@H]1CN(Cc2ccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)cc2)C[C@@H](C)O1 45303039 ILNGTPCQDDKIAH-QZTJIDSGSA-N 415.512 5.645 0 1 HKAF COc1cccc(Nc2ncnc3ccc(NC(=S)Nc4ccccc4)cc23)c1 45317311 WFSLAWBIUOHAHJ-UHFFFAOYSA-N 401.495 5.191 0 1 HKAF CCN(CC)CCCCNCc1cc2c3ccccc3n(Cc3ccccc3)c2cn1 53294774 PRDCEILAFAXUGQ-UHFFFAOYSA-N 414.597 5.449 0 1 HKAF CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(CC)c3ccccc32)cc1 68588144 BOFBVEYGRYDFAQ-MSVKLTOBSA-N 423.512 5.046 0 1 HKAF biogenic CCCCCCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@H]3N(C)CC2)OCO4 72118090 VNMJBLYAJWIWQA-LJQANCHMSA-N 409.526 5.135 0 1 HKAF CCc1cnc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccccc2F)s1 82175033 ZISYCBOHBXEDDH-UHFFFAOYSA-N 422.504 5.762 0 1 HKAF CCC(CC)Nc1ccc(C)c2nc(-c3c(OC)cc(COC)cc3OC)c(C)cc12 84705702 MQKVXKNMQMKVQL-UHFFFAOYSA-N 422.569 6.283 0 1 HKAF Cc1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 84712311 JSOCVQVZUGYMKI-UHFFFAOYSA-N 418.338 6.222 0 1 HKAF O=C(Cc1ccccc1C(F)(F)F)Nc1cc(OCc2ccc(Cl)cc2)ccn1 95589227 GDRBOJRGVRBLBF-UHFFFAOYSA-N 420.818 5.514 0 1 HKAF CN1[C@H]2CC[C@H]1[C@H](c1nc(-c3ccc(Cl)cc3)no1)[C@@H](c1ccc(Cl)cc1)C2 100751750 WIOSJRNBAZNBKL-ZGXWSNOMSA-N 414.336 5.777 0 1 HKAF NC(=O)c1ccc(-c2cc3c(cc2F)[C@H](c2ccc(Cl)c(Cl)c2)CNC3)cc1 114513276 ZDIVPUUGCMEOOI-SFHVURJKSA-N 415.295 5.134 0 1 HKAF Nc1cccc(-c2ccncc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)c1 144246124 CLDXOKMGNYBJKR-UHFFFAOYSA-N 414.419 5.062 0 1 HKAF CCCNC(=O)c1cccc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1 167787364 YYWNHCHJPUHQLK-UHFFFAOYSA-N 405.479 5.031 0 1 HKAF C=CC(=O)Nc1cccc(Oc2ccncc2-c2ccc(Oc3ccccc3)cc2)c1 205508795 HYLBULRQABHFRC-UHFFFAOYSA-N 408.457 6.458 0 1 HKAF CC(C)[C@@H]1CC[C@]2(C)[C@H](CCC3=C4CC(C)(C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CCO 238730809 DSNLWAKLGZAYFK-VEHNERKYSA-N 414.718 8.171 0 1 HKAF CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C)C(C)C 255214611 HCXVJBMSMIARIN-NWCPLHLRSA-N 412.702 7.801 0 1 HKAF Fc1c(Cl)cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1F 586977218 ZJIROOJMXUZUKI-UHFFFAOYSA-N 412.448 6.231 0 1 HKAF Clc1ccc(Br)cc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 586980556 XSPJBIIWMJKEPQ-UHFFFAOYSA-N 413.702 6.225 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)Cc1nc2ccc(O)c4c2c(c1C3)-c1ccccc1C4=O 586989332 FGVJBHHIUTYVTO-UHFFFAOYSA-N 402.453 5.437 0 1 HKAF Cc1cc(C)c2[nH]c(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)nc2c1 587018768 OLVFWQRHJRFKSM-UHFFFAOYSA-N 416.377 6.936 0 1 HKAF O=C(O)c1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cnc2ccccc12 587106869 NYAAGULZNDNJFK-UHFFFAOYSA-N 402.409 5.360 0 1 HKAF Cc1ccc(C)c2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 587119461 CVKUFAFAZLOZAM-UHFFFAOYSA-N 407.399 5.575 0 1 HKAF Fc1cc2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc2cc1Br 587124243 KARCGHZGJJSXNE-ZZXKWVIFSA-N 417.225 6.247 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4ccc(Cl)c(C)c4[nH]3)cc2F)c1 587143436 SLMAPBAGRKNMBD-UHFFFAOYSA-N 401.268 6.660 0 1 HKAF C[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331123 PIAYCVUTHCXFGE-RBBKRZOGSA-N 416.370 5.824 0 1 HKAF COc1cccc(-c2cc(C3=Cc4ccccc4OC3)nc3c2oc2ccccc23)c1 587366279 NQOZGSFJSGEFDO-UHFFFAOYSA-N 405.453 6.590 0 1 HKAF C[C@]1(c2cc(Cl)sc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370710 AWBMHBQJRGSBAV-FXAWDEMLSA-N 423.292 6.174 0 1 HKAF CSc1ccc2c(c1)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587374740 LEXJRHVXVZQGTC-VWNXMTODSA-N 406.478 5.454 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(F)(F)F)nn(-c3ccccc3)c1Cl)O2 587383373 SHNMKVWYJYSMJT-OAHLLOKOSA-N 421.806 5.142 0 1 HKAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4-c4ccc(Br)cc41)[C@@H](C2)C3=O 587417814 MKASTJGNNLDQDZ-WMZHIEFXSA-N 419.274 5.129 0 1 HKAF COc1ccc(Br)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587505743 VJSXYAFRVPHDGF-OAQYLSRUSA-N 401.300 5.217 0 1 HKAF Cc1cc(CN2CCC[C@H](C)C2)c(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587513195 IQKVHKLDNYNCAH-XRHLQHRESA-N 417.593 6.121 0 1 HKAF O=C1C[C@@H](c2cn(Cc3ccccc3)c3ccccc23)Oc2c1ccc1c2CCCC1 587514020 DRLMZTPABDWUBY-MHZLTWQESA-N 407.513 6.275 0 1 HKAF CC(C)(C)OC(=O)N1CCCC2(C1)CC1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587518854 RGZCSDQCYNUALE-UHFFFAOYSA-N 411.542 5.081 0 1 HKAF O=C1C[C@@H](c2ccccc2Sc2ccccc2Cl)Oc2c1ccc1c2CCCC1 587531263 HAWRSYRPRLCCMH-QFIPXVFZSA-N 420.961 7.077 0 1 HKAF C[C@]1([C@@H]2C[C@H]2c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546063 HXMPTHDHDGTMRJ-MVTBNZFJSA-N 406.865 5.570 0 1 HKAF C[C@]1(c2ccc(N3CCCC3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558683 SUXDRHXUNXBTDG-WIOPSUGQSA-N 419.452 5.009 0 1 HKAF Cc1cccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587579210 TWHPNMGGYCTPHE-BVAGGSTKSA-N 411.457 5.503 0 1 HKAF Cc1ccc(-c2cncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 587588580 TYIKCSFSVBUHRO-JYFHCDHNSA-N 409.441 5.466 0 1 HKAF CCOC(=O)C[C@@]1(CC2CCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596334 NOMRRVPBYRALCE-RCZVLFRGSA-N 424.493 5.016 0 1 HKAF C[C@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601120 DTWWTTSDPUNWLD-SHQCIBLASA-N 408.453 5.936 0 1 HKAF CC(C)(C)c1ccc(CC[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587603150 MXAGMDYHLZZSPE-JTHBVZDNSA-N 402.490 5.653 0 1 HKAF Cc1c(-c2cc(C(F)(F)F)ccc2F)[nH]c2c1c(Br)cc1n[nH]cc12 587623078 YJGHLARBTMBDMH-UHFFFAOYSA-N 412.184 5.940 0 1 HKAF CCCC[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587695615 BWJQSOSTJFJXIY-RNODOKPDSA-N 410.758 6.210 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c(F)cccc2F)(C(F)(F)F)N1 587701065 BTSMKAXJYDJITK-PWJLMRLQSA-N 424.182 5.207 0 1 HKAF COC(=O)c1cc(Cl)c2nc(-c3ccc(COc4cccc(OC)c4)cc3)[nH]c2c1 587781609 XOJMIVKNZFUWOX-UHFFFAOYSA-N 422.868 5.258 0 1 HKAF Oc1ccc(OCc2ccccc2)cc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 587782229 JNFYZKNECBSZTQ-UHFFFAOYSA-N 416.424 6.126 0 1 HKAF CCCCCOc1cc2nc(-c3c(C)cccc3OC)[nH]c2cc1Br 587787458 TXAFXTNRCMGAHK-UHFFFAOYSA-N 403.320 5.878 0 1 HKAF CCc1ccc(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587798712 VMHMUDVUSHSRDS-QKVFXAPYSA-N 414.322 5.164 0 1 HKAF CCCc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC 587801114 IQBLADYWKAEVRF-ZSEKCTLFSA-N 406.339 5.563 0 1 HKAF COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc12 587807089 JUBLUMKUWBGZIJ-MCMMXHMISA-N 414.318 5.548 0 1 HKAF CC(C)=CCC/C(C)=C/CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587812860 LOXSYHVYUUDJDK-NEEZNGBMSA-N 408.399 6.811 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCC(c3ccccc3)CC2)N1 587823883 SCWKSEAZRWJGOC-ZKDCVREPSA-N 402.351 6.138 0 1 HKAF CCc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)oc2ccc(C)cc12 587827529 JYOPWUXYSZSXHY-MCMMXHMISA-N 416.334 6.003 0 1 HKAF Cc1nc(C(C)(C)C)sc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587854847 UHAWUOXJJSFEJW-OVWNDWIMSA-N 411.384 5.448 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cn(C)c2ccccc12 587860524 VZQCBCYPNNFYAH-UHFFFAOYSA-N 414.292 5.436 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2c(C)cc(C)cc2s1 587862040 ZHIDRHIGEGASRF-UHFFFAOYSA-N 418.349 6.471 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCc1ccc(OC)cc1 587864891 SFWBVCUDXFEYTC-UHFFFAOYSA-N 418.415 5.249 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2ccc(Cl)cc2s1 587869714 PVRMDLSGPVCBII-UHFFFAOYSA-N 410.808 5.225 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(Cc3cccc(Cl)c3)n2)cc1 587922907 JGRYDLDKGSNTEP-UHFFFAOYSA-N 418.924 7.342 0 1 HKAF CC(C)Cc1ccc([C@H](C)C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 653757805 DSLUWAYUWZQNQR-SFHVURJKSA-N 410.533 5.005 0 1 HKAF C[S@@](=O)c1ccc([C@H](CC2CCCC2)c2[nH]c3ncccc3c2CO)cc1Cl 653784942 ZTVXSWAKKVLTMA-YMGMXPECSA-N 416.974 5.158 0 1 HKAF O=C1OCc2ccc(-c3ccc([C@@H]4NCCc5cc(-c6ccccc6)ccc54)o3)cc21 962661485 JMFGUZDSGLPJGH-AREMUKBSSA-N 407.469 5.519 0 1 HKAF CCn1ccc(C(=O)Oc2cccc([C@H]3NCCc4cc(-c5ccccc5)ccc43)c2)n1 962669880 PNLXXOOATOBKDV-AREMUKBSSA-N 423.516 5.024 0 1 HKAF C[C@]1(c2cccc(F)c2Br)c2ccsc2CCN1Cc1ccco1 962706184 LIFWSTFQTSHBSN-LJQANCHMSA-N 406.320 5.565 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](Cc2ccccc2Cl)(c2cccs2)N1 962943236 GFCRKXFJFRMDTH-BXKMTCNYSA-N 406.982 6.293 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccccc2)(c2ccc(OC(C)=O)cc2)N1 962949642 QCQUTZJAKRXJSC-ZBLYBZFDSA-N 410.517 5.309 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Br)cc2N2CCCC2)N1 962957447 TYOJNJQKHVYBTH-KSFYIVLOSA-N 424.386 5.544 0 1 HKAF COc1ccc(CC[C@]2(c3ccc(C)c(C)c3)NCCc3cccc(Cl)c32)cc1 963390817 NANPGITUJISCCH-AREMUKBSSA-N 405.969 5.988 0 1 HKAF Cc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(OCCN(C)C)cc2)cc1 1772603810 TYIOOXKKHIXQKN-DQSJHHFOSA-N 415.577 5.667 0 1 HKAF Fc1cccc2c1[C@H](C1CCN(c3ccc(-c4cccnc4)cc3)CC1)n1cncc1-2 1857534990 VOBYOKFNTHIZRB-SANMLTNESA-N 410.496 5.571 0 1 HKAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)c1ccc(O)cc1 1857772184 LKBBKZCBIYFECR-DOEKTCAHSA-N 405.582 5.956 0 1 HKAF CC[C@@H](C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@@H]1C[C@H]1C 2356461282 AAJHVCTWRPOTGA-CSMANVSKSA-N 412.702 7.635 0 1 HKAF CC(C)[C@@H](C)C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356530245 JVEARGBOXRHBPV-RBLXNFBBSA-N 414.674 6.382 0 1 HKAF COc1cc2cnc(-c3ccccc3)c(-c3cccc(C(F)(F)F)c3)c2cc1OC 36388897 NOPDHOZGIJMWDL-UHFFFAOYSA-N 409.407 6.605 0 3 HKAF Cc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2Cc2cccc(F)c2)cc1 95567519 QORPNSSKDGJRDR-UHFFFAOYSA-N 418.821 6.712 0 3 HKAF CCCC[C@@H]1C(=O)N2N=Cc3cc(C)c(C)cc3[C@H]2N2N=Cc3cc(C)c(C)cc3[C@@H]12 201479852 ZFEIWSGYOZLQBX-GPUOULLFSA-N 414.553 5.306 0 3 HKAF O=C(O)c1cccc(C=C2CCN(C(=O)C(C3CCCCC3)C3CCCCC3)CC2)c1 13475214 BJYFSEDRFSPKFY-UHFFFAOYSA-N 423.597 6.167 0 1 HKAF O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1 13493823 SVWKENWRMBXWBG-UHFFFAOYSA-N 400.265 5.890 0 1 HKAF CCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(CC)c12 13553393 XWHKYGPZURTBQQ-UHFFFAOYSA-N 417.384 6.360 0 1 HKAF Cc1cn(CCc2ccccc2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12 13589705 XATDAGYWANUZJH-UHFFFAOYSA-N 424.331 6.147 0 1 HKAF O=C(O)CCCCOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1 13727305 GTHXZOHZILOAFR-UHFFFAOYSA-N 413.473 6.309 0 1 HKAF CCCC[C@H](O)CCCCCCCCCCCCCCCCCCCC(=O)CCC 14494442 MTVMCAVIRSCQSX-NDEPHWFRSA-N 424.754 9.319 0 1 HKAF biogenic CN[C@@H](c1ccccc1)C1(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 27727099 KQMACMYDELVGSR-KRWDZBQOSA-N 402.382 5.307 0 1 HKAF O=C(COc1ccc(C(=O)Nc2cccc(F)c2)c2ccccc12)Nc1ccccc1 28368319 FNWOYACBYBWABJ-UHFFFAOYSA-N 414.436 5.249 0 1 HKAF COc1ccc2[nH]cc(CCCCCCCCCCCCCCCCO)c2c1OC 28637690 VMGNGHRGKKPVPX-UHFFFAOYSA-N 417.634 7.181 0 1 HKAF Clc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](c1c[nH]c3ccc(Br)cc13)N2 28760359 RFLDSJPRECLAAL-MRFFXTKBSA-N 417.734 6.218 0 1 HKAF CCN[C@@H](c1cc(Cl)cc(Cl)c1)[C@@H](NCC)c1cc(Cl)cc(Cl)c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c1ccc(Cl)cc1Cc1ccc(-c2nc3ccc(Cl)cc3[nH]2)o1 45190742 OOQCKTHZNPDQCJ-UHFFFAOYSA-N 415.320 6.755 0 1 HKAF CCCNc1nc2c(c(C)nc3sc4c(c32)CCCC4)c(=O)n1-c1ccccc1 45245156 ZSIQOMGADATLOK-UHFFFAOYSA-N 404.539 5.005 0 1 HKAF O=C1C[C@@H](c2ccc(Cl)cc2Cl)C[C@H]2Sc3ccc(Cl)cc3C(=O)[C@H]12 49567366 PZKSLHZFBRDKRX-XDHFEDCHSA-N 411.737 6.067 0 1 HKAF CC(C)c1ccc(-n2ncc(Cl)c(Oc3ccc(OC(F)(F)F)cc3)c2=O)cc1 66136279 HMMCWMBLFYGVOY-UHFFFAOYSA-N 424.806 5.700 0 1 HKAF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NC2CCCCC2)nc1-c1ccc(F)cc1 82136259 FTTCEAMHBGMJFQ-HRAATJIYSA-N 410.537 5.336 0 1 HKAF COc1ccc([C@H]2OC3=C(C=C2C)C(=O)O[C@@H](c2ccc(C(F)(F)F)cc2)C3)cc1 96934093 LAOLJFHZFJPPHW-CTNGQTDRSA-N 416.395 5.674 0 1 HKAF CCCC[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3[C@]23CCN(C)[C@H](C4)[C@@H]13 100902627 YLFVOHQBMMEFKC-DLOLWWOZSA-N 414.549 5.409 0 1 HKAF Cc1sc(-c2nc(-c3c(F)cccc3Cl)nn2C)c(C)c1-c1ccc(O)cc1 103173112 QARCLENXQPELFA-UHFFFAOYSA-N 413.905 5.993 0 1 HKAF CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc2c(c1)OCO2 104691043 PXSDJLIATFZJAP-HSZRJFAPSA-N 404.466 5.228 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](OC(=O)c3cc4ccccc4[nH]3)CCC[C@@]21C 169343678 MHUIORLTNUJMIX-VIRWEEDJSA-N 409.614 7.372 0 1 HKAF Cc1ccc(C(C)C)cc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)cc(C)c2C1=O 221751549 PHBWICIELPNWSN-UHFFFAOYSA-N 423.560 6.481 0 1 HKAF CCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(C)(C)C)c1 224982405 VCVNISDDZQITDR-UHFFFAOYSA-N 416.521 5.887 0 1 HKAF CC(C)=CCC[C@@]12[C@@H](O)CC[C@@H](C)[C@]1(C)CC[C@]13C[C@@H](Nc4ccccc41)C(=O)C[C@@H]23 238738632 IVSAQJKXNVGQKB-CWIVJERRSA-N 421.625 6.021 0 1 HKAF CC(C)CCOc1cc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586883439 JRXJNFFWXZGIIF-FENNVDPPSA-N 417.391 6.218 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@@H](O)[C@@H](C)c4ccc(C)cc4)[nH]c3c2)cc1 586892449 SKRBOWMSXRLGPK-HJPURHCSSA-N 416.477 5.287 0 1 HKAF CCCCCOc1cc2nc(-c3ccc(Cl)cc3OC)[nH]c2cc1Br 587066063 FYGRZJIUAPTZJH-UHFFFAOYSA-N 423.738 6.223 0 1 HKAF Cc1ccc2c3c(cc(C45C[C@H]6C[C@@H](CC(C(=O)O)(C6)C4)C5)nc13)-c1ccccc1C2=O 587102532 WVRVJBXYQDAPPA-SSZHBWBPSA-N 423.512 5.677 0 1 HKAF Cc1cc(C)c(NC(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(C)c1 587104757 VQQGIYAVGXUZHV-UHFFFAOYSA-N 406.485 5.553 0 1 HKAF Fc1cc(Br)c2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc2c1 587126344 YCZZFLCMPDFEIS-ZZXKWVIFSA-N 417.225 6.247 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587192452 UEUDOUKHQJFXAD-HNNXBMFYSA-N 407.301 5.221 0 1 HKAF COc1cccc(-c2cc(-c3cc(Cl)ccc3F)nc3c2oc2ccccc23)c1 587361162 XDGTZPQNDJDJGP-UHFFFAOYSA-N 403.840 7.116 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C(=O)c2ccccc2)CC3)c1 587367479 SDKAGFIHRILXLZ-JOCHJYFZSA-N 419.480 6.569 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(C(F)(F)F)cc3)s1)O2 587384118 YATIKOHDIBOXHU-KRWDZBQOSA-N 403.425 6.031 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(OCc3ccccc3)ccc3ccccc13)O2 587399584 LRLBLPIAWVKZGX-RUZDIDTESA-N 409.485 6.016 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cc3ccc(Cl)nc3)cc1)CC2=O 587462499 QPIJTXSXPGRXDP-QFIPXVFZSA-N 407.897 5.690 0 1 HKAF O=C1C[C@@]2(CCCc3cc(SC(F)F)ccc32)Oc2c1ccc1c2CCCC1 587508188 SVESHFVMIBOZSK-HSZRJFAPSA-N 400.490 6.077 0 1 HKAF CC(C)(C)OC(=O)N1CCc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587515588 VKSUBBUUZZXUKH-HSZRJFAPSA-N 419.521 5.570 0 1 HKAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br 587541096 SQHDZUZZHLPTBR-WIYYLYMNSA-N 411.251 5.166 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cccc1C(F)(F)F 587549438 PZWPGYKWQHWTKU-XLIONFOSSA-N 420.770 5.767 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc(OC(F)(F)F)c1 587552584 AWWGHDRARCBQRD-XLIONFOSSA-N 420.314 5.133 0 1 HKAF COc1cccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 587599623 GZAUHLZJMQCQKH-RPLLCQBOSA-N 424.452 5.771 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3cccc(Cl)c3)c2)N1 587704395 SYGFJVSQWBJAKZ-WYRIXSBYSA-N 420.713 5.051 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cc(Cl)ncc3c2)N1 587705272 MAVSZTJBBBCTSQ-DGIBIBHMSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2c(F)cccc2Cl)N1 587717450 GBNASDJGUHOMRH-XUAOIPRYSA-N 412.705 5.844 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccn(-c3ccccc3F)c2)N1 587730063 WSHAGXPSIGLEEC-MPBGBICISA-N 403.270 5.142 0 1 HKAF CCc1ccc(-c2cnc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 587772737 GPXABBTZWVNKRF-FKIZINRSSA-N 415.306 5.429 0 1 HKAF Oc1ccc(OCc2ccccc2)cc1-c1nc2ccc(F)c(Br)c2[nH]1 587781709 BWFKQEWXGVRODE-UHFFFAOYSA-N 413.246 5.416 0 1 HKAF CC(C)[C@@]1(c2cc3ccccc3o2)N[C@H](C)Cc2ccc(F)c(Br)c21 587828172 MPOQDRNMYBIRRP-ASSNKEHSSA-N 402.307 5.768 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(OC(C)C)cc1 587864813 QIOPURBIQFOFHO-UHFFFAOYSA-N 418.415 5.443 0 1 HKAF CCCCOc1cc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2cc1Br 587952059 XMXSNVASNIBZMR-UHFFFAOYSA-N 415.331 6.103 0 1 HKAF O=C1CCC(c2ccccc2)(c2nc3cc(Br)c(F)c(F)c3[nH]2)CC1 587971031 QYRKZXRFZJRWHS-UHFFFAOYSA-N 405.242 5.033 0 1 HKAF O=c1nc(N2CCOCC2)oc2ccc(-c3cccc4c3sc3ccccc34)cc12 653714188 NGTWFFHNWHTPLC-UHFFFAOYSA-N 414.486 5.060 0 1 HKAF COc1cc2c(cc1OC)[C@H](c1cc(Cl)cc(Br)c1)N(C)[C@H](C)C2 962575855 WBVMLORDRXMIEE-WYRIXSBYSA-N 410.739 5.086 0 1 HKAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@]2(c1ccccc1Cl)C1CCC1 962721520 VTMTZAXOACXUEP-HXOBKFHXSA-N 401.978 5.886 0 1 HKAF CN1C(=O)C[C@@H]2CN[C@](CCc3ccc(Cl)cc3)(C3CCCC3)c3cccc1c32 963038692 XVIFWKFDJCPKER-IQGLISFBSA-N 408.973 5.412 0 1 HKAF Cc1ccc(C)c([C@@]2([C@H]3CC[C@H](C(=O)O)CC3)c3ccc(F)cc3C[C@H]3CCCN32)c1 963087369 CKQZWTVZUYOQOJ-BGIHLZDGSA-N 421.556 5.598 0 1 HKAF Cc1ccnc([C@]2(c3ccc(C(C)C)cc3)c3c(F)cccc3C[C@H]3CCCN32)c1 963104706 IICUEGMDZADBMV-YIXXDRMTSA-N 400.541 5.965 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1sc(-c2ccc(Cl)cc2)nc1C 963256537 DHJCVURURBKVKX-UPCLLVRISA-N 411.014 6.692 0 1 HKAF N=C(O)n1c(-c2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)cc2ccccc21 1772638906 IJAYHJGVTCMSHM-UHFFFAOYSA-N 422.847 6.086 0 1 HKAF CC/C=C(\C)C(=O)Nc1cccc(Nc2ccc3c(/C=C/c4ccccc4)[nH]nc3c2)c1 1772647821 UASMTFAAAROFTB-ODQDEMDOSA-N 422.532 6.772 0 1 HKAF COc1ccc(NCC(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 1857575368 SKRPPAAABCZAHH-UHFFFAOYSA-N 407.857 5.207 0 1 HKAF O=C(NOCc1ccccc1F)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1857576796 HEEABOCHUCMPQL-UHFFFAOYSA-N 421.859 5.193 0 1 HKAF O=C(Nc1ccc(Cl)cc1)Nc1ccc(Nc2nccc(=NC3CCCC3)[nH]2)cc1 1911578359 SJXXDGNAWSXHNP-UHFFFAOYSA-N 422.920 5.294 0 1 HKAF COc1ccc(C2=CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](OC(C)=O)CC[C@H]43)C2)cc1 2356321684 KXXIKUQRERCHIS-XXWWFSEPSA-N 422.609 6.663 0 1 HKAF CC1=C(C=CC[C@H](C)CCC[C@@H](C)CCC[C@H]2CCCC(C)(C)C2)C(C)(C)CCC1 2356415963 CULXOYWCXZXOLD-SLQPCKNISA-N 414.762 10.289 0 1 HKAF CC[C@H](C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356476882 RWZXAVHSOHPSBG-WKPHBKBCSA-N 400.691 7.635 0 1 HKAF CCCC=CC=CC(=O)O[C@@H]1C[C@@H]2[C@H](CCCC[C@H](O)CCC)CCC[C@H]2N[C@H]1C 2356488566 RLTXIRPCJHXWEP-XYOJLYERSA-N 419.650 5.699 0 1 HKAF CC(=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@H](C)C(C)C 2356636747 SXOOOXJHQQTJJY-JHXIUNCFSA-N 412.702 7.801 0 1 HKAF COc1cc2c(c(O)c1CC=C(C)CCC=C(C)C)C(=O)C[C@@H](c1ccccc1)O2 2356636759 UDCNIVAKSBVBTO-QFIPXVFZSA-N 406.522 6.343 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2C(=CCO)[C@H]([C@]3(C)CC[C@H](O)C[C@@H]3O)CC[C@@]21C 2356793150 KGIPQHXEDZVYGK-GQWIBSQVSA-N 418.662 5.498 0 1 HKAF O=C1C[C@H]2CCN(CCCc3ccccc3)[C@H]3CCC[C@@H]([C@@H]1Cc1ccccc1)[C@@H]32 211061295 SDUFOOFMHMDLDM-VETGFMSWSA-N 401.594 5.558 0 3 HKAF COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OC1CCCC1 1490207 OZHBSVBPSKZWMX-UHFFFAOYSA-N 404.297 5.252 0 1 HKAF CC(C)=CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C 13551803 NAJCQAAOHKVCES-PYFPDXFRSA-N 424.713 8.377 0 1 HKAF O=C(O)COc1cccc2c(CSCC(c3ccccc3)c3ccccc3)coc12 13671536 QAMJPTABDUNWIG-UHFFFAOYSA-N 418.514 5.962 0 1 HKAF CC1(C)CC(Oc2ccc(-c3ccc(C4(C(=O)O)CC4)cc3F)cc2)CC(C)(C)C1 13672569 NPPAGUSXMQPYGP-UHFFFAOYSA-N 410.529 6.593 0 1 HKAF Nc1sc2c(c1C(=O)c1ccccc1)CCN(Cc1ccc(Cl)c(Cl)c1)C2 27188779 ODYCWNCGGVAEAA-UHFFFAOYSA-N 417.361 5.426 0 1 HKAF COC(=O)c1cccc(C(CC(=O)c2ccc(F)cc2)CC(=O)c2ccc(F)cc2)c1 27640168 DEJSQEFPOZWGSD-UHFFFAOYSA-N 422.427 5.381 0 1 HKAF O=C(O)CC/C=C\C[C@H]1CO[C@@H](c2cccc3ccccc23)O[C@@H]1c1cccnc1 27723317 FGBMMJPOIOWZGC-UNSYMCLXSA-N 403.478 5.449 0 1 HKAF Clc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccccn3)n2)cc1 28707535 HZQNGRKBCCZGKK-LJQANCHMSA-N 422.966 6.276 0 1 HKAF O=C(O)/C=C/c1ccc(Cc2ccccc2)cc1OCCc1ccc2ccccc2c1 34295871 WUSLPNBZMRDEEB-CCEZHUSRSA-N 408.497 6.150 0 1 HKAF C[C@@H]1[C@H]2Cc3ccc(I)cc3[C@]1(C)CCN2Cc1ccccc1 36126831 KAICFMDUDWIURZ-IPHXSNPTSA-N 417.334 5.016 0 1 HKAF Cc1ccc(OCc2ccccc2)c([C@H](CCN2C[C@H]3C[C@H]3[C@@H]2C)c2ccccc2)c1 40752767 RMIOCWSMLOFBIC-FDBFMKMFSA-N 411.589 6.436 0 1 HKAF Cc1ccc(NC(=O)Nc2ccc3ncnc(Nc4ccccc4)c3c2)cc1Cl 40977242 XZSKBUSRPAHCEP-UHFFFAOYSA-N 403.873 5.979 0 1 HKAF S=C(Nc1ccc(Cl)cc1)Nc1ccc2ncnc(Nc3ccccc3)c2c1 45298649 KWMNKMZKOMWPLO-UHFFFAOYSA-N 405.914 5.836 0 1 HKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCNCCNC1C2CC3CC(C2)CC1C3 49054083 OMMRNNMMBCQXFB-MDPLBRPISA-N 404.727 6.649 0 1 HKAF CCCCOC(=O)Nc1ccc2c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N2C(C)=O 59084456 OFWGBZCYRKFABH-RUZDIDTESA-N 408.542 5.876 0 1 HKAF CC1=CCC[C@H](C)[C@@]1(C)CC/C(C)=C\CC/C(C)=C\C[n+]1cn(C)c2ncnc(N)c21 59717335 BMJABLUWVJRIBX-GPSCYWITSA-N 422.641 5.674 0 1 HKAF CC(C)Nc1ncc(-c2cc(-c3ccccc3Cl)nc(-c3ccccn3)n2)s1 64527956 BEBZPLUXTCGKDB-UHFFFAOYSA-N 407.930 5.803 0 1 HKAF CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@@H](C)NCCC(C)C)CC[C@@H]32)C1 72134959 FPYGMKMGRVHQNZ-QCYZZNICSA-N 403.695 6.685 0 1 HKAF Cc1cc(C(=O)O)c(Nc2ccc(-c3cccc(OC(F)(F)F)c3)cc2F)cn1 72284409 KGFYRAYOIGEBQR-UHFFFAOYSA-N 406.335 5.537 0 1 HKAF O=C1[C@H](c2ccccc2Cl)C[C@H](c2ccccc2Cl)C(=O)N1c1ccccc1 73197418 ABPKIIMRPHCEAG-KDURUIRLSA-N 410.300 5.824 0 1 HKAF C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 78823388 UUOLNXWPAFDHLX-CONWICPCSA-N 418.662 5.474 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCc3ccccc3)ncnc21 82178237 HCAXLUPLIBBZMT-QGZVFWFLSA-N 401.514 5.160 0 1 HKAF CCCCCn1c(-c2cccs2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181283 ZZVLXEJAVJEGIH-UHFFFAOYSA-N 411.962 6.011 0 1 HKAF NCCSC(Cc1ccccc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 84709872 TVCXBVNVLLPBID-UHFFFAOYSA-N 402.390 6.172 0 1 HKAF Cc1cccc([C@H]2CC(c3ccc(Cl)c(Cl)c3)=NN2C2=NC(=O)CS2)c1 95580625 XRTKTEGOHGAJBQ-QGZVFWFLSA-N 404.322 5.082 0 1 HKAF CCC/C=C/C[C@H]1C/C=C\C=C(C)/C=C\C=C/[C@@H](O)[C@H](O)/C=C(C)\C=C/C=C\C(=O)N1 100305367 ALYLZDHKQZUVDF-RQLYHEJASA-N 423.597 5.017 0 1 HKAF in-vitro CC(C)Cc1ccc(-c2nc(-c3ccc([C@@H](C)N[C@H]4C[C@@H](C(=O)O)C4)cc3)no2)cc1 100657687 JRZJZOSWCNBQFS-NPFVIJTESA-N 419.525 5.116 0 1 HKAF Cc1nc(SCC(=O)c2ccc(Cl)cc2)n(Nc2ccc(Cl)cc2)c1C 103243283 OKWCIRDIPCGIKI-UHFFFAOYSA-N 406.338 5.657 0 1 HKAF COc1cc(OC)c2c(c1-c1ccc(OC)c3c(O)cc(C)cc13)C[C@H](C)N(C)[C@@H]2C 140181268 QCRNSFIWXGLJQP-JKSUJKDBSA-N 421.537 5.484 0 1 HKAF Cc1nc(N[C@H](C)c2cccc(-n3cnnc3)c2)cc(-c2ccc3occ(C)c3c2)n1 141919524 PKUZLFYQUASWHY-MRXNPFEDSA-N 410.481 5.260 0 1 HKAF COC[C@H](C)NC(=O)c1cc(NC(=O)c2cc(C)cs2)cc(-c2ccc(C)cc2)c1 142606906 VJYSUTQTTVEBQM-KRWDZBQOSA-N 422.550 5.049 0 1 HKAF CCN(CC)C[C@@H](O)c1cc2cc(Cl)cc(Cl)c2nc1-c1ccc(Cl)cc1 169337301 GRHOYVMIECQAAK-LJQANCHMSA-N 423.771 6.237 0 1 HKAF C[C@@H](CCCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CNCC1 169344078 DZCSLDZTEWXCGV-KRWDZBQOSA-N 409.545 5.966 0 1 HKAF COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(C)c3C)c12 224899375 SDJOVLUEILKTJF-UHFFFAOYSA-N 401.470 5.014 0 1 HKAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)C(C4(C)OCCO4)=CC[C@H]32)C1 254079146 RKDVZUVKDIUZHM-GSZMAKCDSA-N 402.575 5.260 0 1 HKAF CN(CCCN1CCc2c([nH]c3ccccc23)[C@H]1c1ccccc1)Cc1ccccc1 299826039 YGMOUIUWBGYGMW-MUUNZHRXSA-N 409.577 5.638 0 1 HKAF CCCCCn1cc([C@H](c2ccccc2)c2oc(CO)cc(=O)c2O)c2ccccc21 299831939 PCFQBFRDXBKKDC-DEOSSOPVSA-N 417.505 5.163 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N[C@@H](CO)C(=O)O 299841089 XUVNWEALAJSOLD-SLFOXIJGSA-N 415.574 5.026 0 1 HKAF CCC(C)(C)c1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1 586879678 IMTGPAFQAWIIDZ-UHFFFAOYSA-N 422.164 6.443 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@]45CCc4ccccc45)[nH]c3c2)cc1 586889866 NUGURMOMZAVRQC-LVXARBLLSA-N 410.473 5.513 0 1 HKAF CSc1sc(-c2nc3ccc(Cl)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586920714 WFXMRPFZMUWUOA-UHFFFAOYSA-N 421.396 5.502 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(OC4CCOCC4)cc3)nc3ccc(O)c1c23 586990539 GEMHQDZJKAESAW-UHFFFAOYSA-N 423.468 5.377 0 1 HKAF CCc1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c1 586998747 PXIATAIQQAQCFS-UHFFFAOYSA-N 407.311 6.134 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc4ncccc4c3[nH]1)N2 587030811 IUVSGMXAAKUSER-RGZVIEDOSA-N 421.551 5.238 0 1 HKAF Cc1ccc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2n1 587054075 ITTOUYFECBDXKU-ZDUSSCGKSA-N 414.292 6.505 0 1 HKAF COc1ccc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c(Cl)n1 587086299 FCNPPYXCVJQZCB-UHFFFAOYSA-N 424.726 5.474 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)C[C@H]21 587108061 XWPNACPYELMUCT-OXJNMPFZSA-N 412.489 5.095 0 1 HKAF CCOc1ccc(-c2nc3cccc4c3c(c2C)-c2ccccc2C4=O)cc1OCC 587108248 YGKPVJMYDONJDE-UHFFFAOYSA-N 409.485 6.219 0 1 HKAF Cc1c(F)cc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1F 587133404 VKTXZWFXTYFOAP-UHFFFAOYSA-N 409.274 6.004 0 1 HKAF Fc1ccc(-c2cnn(Cc3nc4ccc(Sc5ccccc5)cc4[nH]3)c2)cc1 587165483 XAHQNSWOVNBEAN-UHFFFAOYSA-N 400.482 5.765 0 1 HKAF Fc1ncc(Br)cc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587177886 DXJDLZKJNQNIPB-UHFFFAOYSA-N 410.552 5.079 0 1 HKAF CNc1cccc(-c2cccc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c2)c1 587233379 OBEPXULHVSWIDN-UHFFFAOYSA-N 403.485 6.170 0 1 HKAF C[C@@]1(c2ccc(Br)o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323885 NJKLXQHIZSDOHG-QUCCMNQESA-N 417.230 5.161 0 1 HKAF Cc1oc2ccc(O)cc2c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356719 QXOVEQWPSGOEPZ-ZCYQVOJMSA-N 418.420 5.566 0 1 HKAF C/C(=C\[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)N(C)C 587376733 PYELJMWEIVWRMC-TWKGTMJUSA-N 423.509 5.313 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(F)c(F)c3)nc3cc(C)ccn13)O2 587384656 HEXGLMIHBZQHBT-HXUWFJFHSA-N 419.431 5.185 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc3ccccc3c1)CC2=O 587469024 GDOCQLUJXKPIGW-RUZDIDTESA-N 403.478 5.251 0 1 HKAF COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN1CCCCC1 587515568 VCWFYAMIXHCQJU-MHZLTWQESA-N 419.565 5.441 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC=C(c1ccc(F)cc1)CC2 587572077 RGIHINLNPVBNAO-DHLKQENFSA-N 402.421 5.499 0 1 HKAF O=Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 587602338 JIESEOOFWIYLDT-SHQCIBLASA-N 422.436 5.575 0 1 HKAF COC(=O)c1c(-c2ccccc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625449 ISQKKCFWAQCDKQ-UHFFFAOYSA-N 421.724 6.313 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(C(=O)C(F)F)c2c1 587640017 BBUUXMKRNAGCRB-LLVKDONJSA-N 406.270 6.559 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc(Cl)ccc3n2C)N1 587695777 JNRUTRANWIKDDY-OVWNDWIMSA-N 407.714 5.357 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3cccc(Cl)c3)c2)N1 587704393 SYGFJVSQWBJAKZ-NSPYISDASA-N 420.713 5.051 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(F)(F)F)c2F)N1 587711885 MZYUCHLFOVCORL-VPTHRUTESA-N 406.192 5.370 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCC(=O)Cc2ccc(F)cc2)N1 587729215 CIXRUDMTORXIAU-YEJXKQKISA-N 422.313 5.285 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2Br)N1 587729590 WCLIOKBUIDMOHB-BCTVWOGZSA-N 417.091 5.113 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2c2ccccc2n3C)N1 587753240 AMRJBYYLPUEDJG-WHEQGISXSA-N 413.334 5.194 0 1 HKAF COc1cccc([C@]2(C(C)(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587807263 KMZFTGWYVSNWAK-ASSNKEHSSA-N 406.339 5.421 0 1 HKAF CC/C(=C/c1nc2c(Br)cnc(Br)c2[nH]1)c1ccc(C)cc1 587968558 UQPNDIGXBDZVTL-FLIBITNWSA-N 421.136 5.742 0 1 HKAF O=C(C[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1c(O)c2ccccc2oc1=O 653697656 HWCOJNOQFHOUHY-LJQANCHMSA-N 409.441 5.385 0 1 HKAF COc1ccc(C2=NN(c3ccc(-c4ccccc4)nn3)[C@@H](c3ccccc3)C2)cc1 653711575 TYNKLJHPGJNJEK-RUZDIDTESA-N 406.489 5.508 0 1 HKAF Cc1cc(-c2ncc(CC(=O)Nc3ccc4c5ccccc5n(C)c4c3)cc2C)ccn1 653714174 KKCCLZYYXDRTCS-UHFFFAOYSA-N 420.516 5.587 0 1 HKAF CCCC1=N[C@@H]2C(C)=CC(C)=NN2[C@@H]1Cc1ccc(-c2ccccc2C(=O)O)cc1 653887580 RSSZOEFGMIZGSL-RPWUZVMVSA-N 401.510 5.182 0 1 HKAF Cc1ccc2cc([C@H]3c4ccc(F)cc4C[C@H]4CCCN43)c(N3CCCCC3)nc2c1 963106912 OIYSDFDJEMOSHM-ATIYNZHBSA-N 415.556 5.783 0 1 HKAF CCC[C@]1(c2ccsc2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963181707 RASQBTZGYOZESG-NVXWUHKLSA-N 403.853 5.063 0 1 HKAF COc1ccc(CC[C@@]2(c3ccc(Cl)cc3F)NCCc3ccc(O)cc32)cc1 963342706 SDIWTBWQVOABIF-DEOSSOPVSA-N 411.904 5.215 0 1 HKAF O=C(O)CCCOc1ccc(-c2cc(Oc3cccc(F)c3)ccc2Cl)cc1 1772655817 LBCCCTCTGHMKOO-UHFFFAOYSA-N 400.833 6.182 0 1 HKAF COc1ccc(OC)c(-c2cc(Cl)cc([C@@H](CC(=O)O)c3ncc(C)s3)c2)c1 1772655833 NEVKJTCNYPFBNM-GOSISDBHSA-N 417.914 5.396 0 1 HKAF CCOP(=O)(OCC)[C@H](Nc1ccccc1)c1cc2cc(C)ccc2nc1O 1857771987 ZPXRRFYNUIPMSX-NRFANRHFSA-N 400.415 5.626 0 1 HKAF O=C(O)CCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(O)cc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c1cocc1Cc1ccoc1 2356588239 MJYPSIYCHMFNCW-GOSISDBHSA-N 410.510 6.421 0 1 HKAF CC(C)[C@H]1C[C@@H]1C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356712506 FBHIUIDQPRBDHL-VDDNJJGASA-N 400.691 7.325 0 1 HKAF Cc1ccc(C)n1[C@H]1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc21 206028664 BTPGHOLBRLNGQY-HXUWFJFHSA-N 418.846 5.913 0 3 HKAF Cn1nc(-c2ccc(C(=O)O)cc2)c2c1-c1cc3c(cc1CC2)C(C)(C)CCC3(C)C 1539151 FXNZTDNKRJZXNH-UHFFFAOYSA-N 414.549 5.900 0 1 HKAF COc1cc(OC)c2c(c1-c1c(C)cc(O)c3c(OC)cccc13)C[C@H](C)N[C@H]2C 13359230 WPLXJOWQGIILET-GJZGRUSLSA-N 407.510 5.142 0 1 HKAF biogenic CC[C@H]1c2c(OC)cc(OC)c(OC)c2[C@H](c2cc(OC)c(OC)cc2OC)[C@@H]1C 13439519 ZPOQFZFDKXZAGL-LKBUQDJMSA-N 416.514 5.013 0 1 HKAF in-man O[C@@](Cc1c(Cl)cccc1Cl)(Cn1ccnc1)c1ccc(Cl)cc1Cl 13520638 VOMUQNXFGYULRB-SFHVURJKSA-N 416.135 5.627 0 1 HKAF CN1CCC(c2ccc([C@@H]3c4ccc(O)cc4CCN3c3cccc(F)c3)cc2)CC1 13607732 KLHXQTWUUYOBSL-HHHXNRCGSA-N 416.540 5.493 0 1 HKAF O=C1NCc2c(-c3ccccc3Cl)nc(O)nc2N1c1c(Cl)cccc1Cl 14962943 YTQLAJDGTJISOD-UHFFFAOYSA-N 421.671 5.171 0 1 HKAF Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1 14975695 QSOPJLOXGPOPCK-UHFFFAOYSA-N 417.340 5.341 0 1 HKAF CSc1ccc(CSc2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 27523243 RORWSWYMHBWNSK-UHFFFAOYSA-N 407.539 6.292 0 1 HKAF COc1cccc([C@@H](O)[C@H]2CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)c1 28389448 RWKQYBICTNWKIC-ARMFNRFLSA-N 418.512 5.500 0 1 HKAF COc1cc2c(cc1OC)[C@@H](CCc1ccccc1)N(C(=O)C1CCCCC1)CC2 28456032 XVGNAGNYYOTCSW-HSZRJFAPSA-N 407.554 5.343 0 1 HKAF c1ccc(Cn2cc[n+]3c2[C@@H]2c4ccccc4[C@H]3CC2(c2ccoc2)c2ccoc2)cc1 29484773 ZSGXEXDVGCYEDI-FTJBHMTQSA-N 419.504 5.435 0 1 HKAF CC(C)c1nnc2cc(Cl)c(Sc3ccc(F)cc3F)c(Br)n12 35848858 IVTPJDUUJMGPCM-UHFFFAOYSA-N 418.694 5.698 0 1 HKAF CC1(c2cc(-c3ccc(/C=C/C(=O)O)cc3Cl)ccc2O)SCCCS1 40392943 VNFDEGDKIVKVNJ-XBXARRHUSA-N 406.956 5.853 0 1 HKAF Cc1cccc(C)c1Nc1nc2c(Nc3ccc(C(F)(F)F)cc3)ncnc2s1 40395552 WQLYHKJBNHINOA-UHFFFAOYSA-N 415.444 6.209 0 1 HKAF Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)C5CCN(C)CC5)cc4)c3)nc12 45168444 DWRHDLPGYMTXOF-UHFFFAOYSA-N 424.548 5.486 0 1 HKAF CC[C@@H](NCc1ccc(-c2cncc(C(=O)NCC(C)C)c2)cc1)c1ccccc1 45210218 PHGMVJHQALGPIV-RUZDIDTESA-N 401.554 5.375 0 1 HKAF O=C1N(c2ccccc2)c2nc(-c3ccccc3)nc(N3CCCC3)c2[C@H]2CCCN12 45256321 HKSOQEHRTYHNDC-HXUWFJFHSA-N 411.509 5.152 0 1 HKAF CN(C)c1cc(NC(=O)Nc2ccc(SC(F)(F)F)cc2)c2ccccc2n1 45321547 PHJUNQXDNYVNDV-UHFFFAOYSA-N 406.433 5.557 0 1 HKAF CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccc(C)c(C)c2)c2ccccc21 49047698 LWTUYNJQSLFRCB-IBVKSMDESA-N 412.533 5.837 0 1 HKAF O[C@](c1ccnc(Cl)c1)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F 49071273 HOMRLSWXGFQYGM-IBGZPJMESA-N 421.781 5.011 0 1 HKAF COc1ccccc1-c1nc2c(C)c3c4c(c2o1)[C@@H](C)CC[C@@H]4[C@@H](C)C[C@H]3C=C(C)C 72124590 IAMAJRYSKVVGGN-RAUXBKROSA-N 415.577 7.882 0 1 HKAF CC[C@H](C)CN[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC)CC[C@]4(C)[C@H]3CC[C@]12C 72134967 BFJBAMHNODMFFF-FWUXZBDDSA-N 401.679 6.605 0 1 HKAF Cn1c(C(c2cc3ccccc3n2C)c2cc3ccccc3n2C)cc2ccccc21 72136006 ZRDLUMDGUISAOZ-UHFFFAOYSA-N 403.529 6.342 0 1 HKAF CCCC[C@@H](CC)CNc1nc(NCc2ccccc2)c2cc(OC)c(OC)cc2n1 82126431 POKPXPFQHSUWQV-GOSISDBHSA-N 422.573 5.887 0 1 HKAF O=C(c1cnc(NCC2CC2)nc1-c1ccc(-c2ccccc2)cc1)N1CCCCC1 82153801 YMVBKPOVLCFAKQ-UHFFFAOYSA-N 412.537 5.259 0 1 HKAF CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(O)c2)C2=C(O)CC(C)(C)CC2=N1 103520987 OBJSHHWQLKYHNV-JOCHJYFZSA-N 409.526 5.712 0 1 HKAF CCO/C(O)=C1\C(C)=Nc2nc(-c3ccccc3OC)nn2[C@H]1c1ccc(Cl)cc1 103538854 ZYEVGJOZPQAITJ-PMIVHWTLSA-N 424.888 5.109 0 1 HKAF CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@H](CC=C(C)C)C(=O)[C@H]1C(=O)C(C)C 104368831 AXAAMKAGJNUYDB-JPYYHWIRSA-N 400.647 7.498 0 1 HKAF in-man C[C@H](CO)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118923931 XMULUVSUDUCTFU-HCAUQLLZSA-N 418.662 5.332 0 1 HKAF in-vitro Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc(F)c(C)c2)n1 142495740 XMENBBHSBMPRKW-MRXNPFEDSA-N 401.489 5.473 0 1 HKAF COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCC=C(C)C)cc1 147415260 SQFAXYKGTIOLOW-UHFFFAOYSA-N 406.478 5.794 0 1 HKAF CC[C@@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)[C@H]3CCC4=C(C(=O)O[C@H]4C)[C@@]3(C)C(=O)C[C@H]21 166404689 OTZAFYKTECUBAV-CHELDCNLSA-N 412.614 6.256 0 1 HKAF Oc1csc(N2N=C(c3ccc(Cl)c(Cl)c3)C[C@H]2c2ccc(F)cc2)n1 169728217 LKXZQCKEQDMGMB-INIZCTEOSA-N 408.285 5.650 0 1 HKAF CCC[C@@H]1CC(=O)[C@@H]2C(=NC(C)=C(C(=O)OCC)[C@@H]2c2ccc(C(C)(C)C)cc2)C1 169728299 VCSIYSHHCXOHRI-DPSWKAHMSA-N 409.570 5.755 0 1 HKAF Cc1nc(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)c(C)cc2C)c(C)[nH]1 206727691 BXYZXSKFUJTISP-UHFFFAOYSA-N 412.537 5.202 0 1 HKAF C[C@H]1CCC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)C=C[C@]4(C)[C@H]3C(=O)C[C@]12C 238738526 LONJPWUFRBKLHQ-IIWBYEMSSA-N 424.713 8.233 0 1 HKAF CC(=O)O[C@@H]1/C=C(/C)[C@H](OC(=O)c2ccc(O)cc2)C/C=C(\C)CCCC1(C)C 238749165 YUURXLYREVDXOP-CIBQQNEMSA-N 400.515 5.342 0 1 HKAF CC(C)[C@H](O)CC[C@H](C)[C@H]1CC=C2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255264108 SAXMHLJORFYZHZ-SSBPPUCASA-N 418.662 5.330 0 1 HKAF COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2c[nH]c3ccccc23)C[C@H]1C 299878709 JOYFTIBCCGDFHM-XOJPMGEXSA-N 401.466 5.048 0 1 HKAF OCCc1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 586997832 FAMZIQVQFVCJHF-YFHOEESVSA-N 409.283 5.291 0 1 HKAF Cc1cc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2cc1Br 587029806 UYEXUZRTDRYAGV-UHFFFAOYSA-N 424.327 5.155 0 1 HKAF CC(C)CCOc1cc2nc(-c3cc(F)c(N)c(F)c3)[nH]c2cc1Br 587135308 YSIFFRMNZBFFSD-UHFFFAOYSA-N 410.262 5.278 0 1 HKAF C[C@@]1(c2cc(F)c(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331708 JWNBHQYCSMGFAK-VGSWGCGISA-N 420.333 5.362 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2F)(C2CC2)[C@H]1c1ccc(F)cc1 587331864 KFTOBGZVJCIQTC-ZCYQVOJMSA-N 406.428 5.421 0 1 HKAF COc1cccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c2oc2ccccc23)c1 587359652 HYIKKIWYRVDCRJ-UHFFFAOYSA-N 419.402 7.342 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](Nc2ccccc2)CCC3)c1 587363520 SSTKFCLJKOPGBO-HSZRJFAPSA-N 420.512 7.146 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnn(-c3ccc(Cl)cc3Cl)c1C)O2 587377360 WSOVGJMALPJTGQ-OAQYLSRUSA-N 416.308 5.259 0 1 HKAF COc1ccc([C@@]2(Cc3ccc(Cl)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587379711 WGNDYOMVFKKZSX-XMMPIXPASA-N 407.897 5.343 0 1 HKAF COc1cc2c3c(c1)O[C@](C)([C@H](C)Oc1ccc(-c4ccc(C)cc4)cc1)[C@@H](C2)C3=O 587439122 JMODISPJLMABQZ-XMFBKKLCSA-N 414.501 5.644 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1ccc4ccccc4c1)[C@@H](C2)C3=O 587442771 LQFZVNHACVTAJR-FIPFOOKPSA-N 422.480 5.916 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc3cc(N(C)C)ccc3c1)CC2=O 587468203 IUBLSHFDXBPETH-AREMUKBSSA-N 403.522 5.835 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc([C@H](C)CC)cc1)CC2=O 587470863 MRQSCIKCCPOJFC-NSYGIPOTSA-N 403.522 6.355 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CN1CCCCC1)(c1cc(C)c(O)c(C)c1)CC2=O 587476588 VQELVOJRQPOAIA-SANMLTNESA-N 423.553 5.014 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCC)(c1ccc3c(c1)nc(S)n3CC)CC2=O 587488967 ACVSOHORYQREBD-DEOSSOPVSA-N 424.566 5.664 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2Sc2ccc(Cl)cc21 587496860 ADIJGOMUVMCLKB-XMMPIXPASA-N 422.933 6.372 0 1 HKAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1Cc1ccccc1F 587502879 INBRSCAPZBOBMY-RUZDIDTESA-N 403.497 5.878 0 1 HKAF Cc1nn(-c2ccc(F)cc2F)c(C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587509142 XJTBKYITNFBICO-JOCHJYFZSA-N 408.448 5.353 0 1 HKAF O=C1C[C@H](c2cn(Cc3ccccc3)c3ccccc23)Oc2c1ccc1c2CCCC1 587514019 DRLMZTPABDWUBY-HHHXNRCGSA-N 407.513 6.275 0 1 HKAF O=C1C[C@@H](c2cccc3c2cnn3[C@H]2CCCCO2)Oc2c1ccc1c2CCCC1 587517384 MFKUYLOTOXNOJH-BJKOFHAPSA-N 402.494 5.321 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ccc2cccnc12 587549979 UNBJFYWARHJTCS-CVDCTZTESA-N 403.821 5.297 0 1 HKAF CCOC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccccc1Br 587623439 GYMPCNNTBPIMGG-UHFFFAOYSA-N 420.690 5.300 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(O)c(Cl)c2)N1 587692795 LQNFXIZDCUCLHO-NZFNHWASSA-N 405.094 5.224 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cccc(Cl)c2)N1 587705821 ZNLVOLFBYDKZLB-FKIZINRSSA-N 419.725 5.656 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2-c2ccc(F)cc2)N1 587734556 NZXBKAKNWSJNNJ-XUSGNXJCSA-N 415.281 5.413 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC=C2NNc2ccccc2)N1 587749170 NHDHDBTXDBOTOS-QKKBWIMNSA-N 416.338 5.002 0 1 HKAF COc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587755730 QILFAQOFZXQVEH-YEJXKQKISA-N 415.306 5.011 0 1 HKAF COc1cccc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587758328 WPWVZCCUYDAJQM-LRTDBIEQSA-N 415.306 5.011 0 1 HKAF CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(C)C 587790676 HGORUSOCLGFBFT-ZSEKCTLFSA-N 422.338 5.398 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC1CC1 587806493 JKYPAOJFQFMEAK-ASSNKEHSSA-N 404.323 5.309 0 1 HKAF CCc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)oc2ccccc12 587827850 LTZPQHJREHXMCM-QKVFXAPYSA-N 402.307 5.695 0 1 HKAF Cc1ccccc1-c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587830370 SSYZVXBFNQXMCL-YEJXKQKISA-N 400.291 5.780 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccsc3)s2)N1 587852755 ILPGRTIYAOPSFW-FVMDXXJSSA-N 409.349 5.397 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C(F)(F)F)ccc1F 587854609 GXTIXHIUUQNEFC-UHFFFAOYSA-N 419.205 6.403 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2cc(F)ccc2[nH]1 587864495 KXYHUPHEQAUHDW-UHFFFAOYSA-N 417.362 5.277 0 1 HKAF CCOc1cc([C@@H]2c3cc(OC)ccc3CCN2C(C)C)c(Cl)cc1OC(C)C 962089811 HYEGXAAOOPLSKE-DEOSSOPVSA-N 417.977 5.890 0 1 HKAF Cc1c(F)ccc2c1[C@](C)(c1cccc(OCc3c(F)cccc3Cl)c1)NCC2 962372767 HSLWYCVFRSYFBI-DEOSSOPVSA-N 413.895 5.915 0 1 HKAF C[C@H](c1ccccc1)n1c([C@@H]2c3c(F)cccc3C[C@H]3CCCN23)nc2ccccc21 963112569 PYHDAKSLNFOOLP-OFUUFJSKSA-N 411.524 5.895 0 1 HKAF COc1ccc([C@]2(CCc3ccc(F)cc3)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963114544 USAHVXGVCIWPQL-RPLLCQBOSA-N 419.515 5.870 0 1 HKAF CC1(C)CC([C@@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)CC(C)(C)O1 963817510 OAQPEOVBYUEOOX-DEOSSOPVSA-N 418.581 5.918 0 1 HKAF CCO[C@H](CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cccc3C)c2)s1 1772612203 SSFZJQHTYBHEMR-HXUWFJFHSA-N 410.535 6.163 0 1 HKAF CCc1cccc(NC(=O)c2cccc(Oc3cc(CN)cc(C(F)(F)F)n3)c2)c1 1857577082 QQNNNVWTZHUKRQ-UHFFFAOYSA-N 415.415 5.166 0 1 HKAF CC(=O)Nc1cccc(-c2ccc3c(-c4ccccc4Oc4ccccc4)[nH]nc3n2)c1 1857598419 BGZFICIPOPVFOQ-UHFFFAOYSA-N 420.472 6.043 0 1 HKAF FC(F)(F)c1ccc(-c2cn3nc(-c4c[nH]c5ccc(Cl)cc45)sc3n2)cc1 1857611636 JPZCVAARWGBMST-UHFFFAOYSA-N 418.831 6.278 0 1 HKAF COc1cc2c(cc1O)[C@H]1C[C@@H](C[C@H]3CCCC[C@@H]13)OC(=O)C=Cc1ccc(O)c-2c1 2356777818 DRUCJGHRVXTYRK-MKXGPGLRSA-N 420.505 5.396 0 1 HKAF CC[C@@H](C)[C@H](O)[C@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356784060 NBTBEPDPHDQBGN-GIBABRIESA-N 420.678 5.410 0 1 HKAF CC(C)[C@@H]1CC=C2CC[C@@H]3C(C[C@H](C)COC(=O)c4ccccc4)=CCO[C@H]3[C@H]2C1 2356791696 IWMZTXVGHIRXOG-HATZJIOVSA-N 408.582 6.213 0 1 HKAF C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C[C@H]1NCc1ccccc1)C2 36387883 RWRHJRIJKIVYFB-QZHGQLDLSA-N 409.614 6.032 0 3 HKAF CN1C(=O)[C@]2(CCCCN3CC=C(c4ccccc4)CC3)CCCc3cccc1c32 13473715 JIRCLBZTHLKVQB-HHHXNRCGSA-N 400.566 5.197 0 1 HKAF COc1ccc([C@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)cc1CC=C(C)C 14780785 UJHSMBNEFBESCZ-XMMPIXPASA-N 422.521 5.830 0 1 HKAF biogenic CC(C)=CCc1c2c(c(O)c3c1O[C@H](c1cc(O)cc(O)c1)CC3=O)C=CC(C)(C)O2 15203283 AORPIEJDBDRJNG-FQEVSTJZSA-N 422.477 5.203 0 1 HKAF biogenic O=c1c2cc(F)c(-c3cncc4ccccc34)cc2n(C2CC2)c2snc(O)c12 28569647 OMXVFQQUHGDGGN-UHFFFAOYSA-N 403.438 5.006 0 1 HKAF COc1ccc2cc(-c3nc(-c4ccccc4C(C)C)[nH]c3-c3ccncc3)ccc2c1 28824345 BRIYVXMAIYPCOF-UHFFFAOYSA-N 419.528 7.091 0 1 HKAF CCN(CC)CCNc1nc(Nc2cc(Cl)cc(Cl)c2)nc2ccccc12 29206861 BGXMHTQYUDXEMW-UHFFFAOYSA-N 404.345 5.434 0 1 HKAF CC(=O)N[C@H](C)c1cnc(-c2cnc(Oc3ccc(OC(C)C)cc3)s2)s1 35259992 CVAJIWQTUPPAIF-GFCCVEGCSA-N 403.529 5.043 0 1 HKAF OC1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H](C1)N2Cc1csc2ccccc12 40429217 VFPMJQLPEIDGKV-AQKKSAQBSA-N 418.389 6.223 0 1 HKAF O=C(CCc1ccccc1)[C@@H]1c2ccccc2-c2ccccc2N1C(=O)c1ccco1 40973437 KZPMWFMWUONOJK-SANMLTNESA-N 407.469 5.850 0 1 HKAF CN(C)C[C@H]1CCc2cc(NC(=O)c3ccc(-c4ccccc4Cl)cc3)ccc2C1 72113567 KTDMCLCTLWFDGI-SFHVURJKSA-N 418.968 5.926 0 1 HKAF CC[C@H](C)Cn1c(-c2ccccc2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181064 KRPRETOISDYNEE-INIZCTEOSA-N 405.933 5.805 0 1 HKAF O=C(Nc1ccccc1)N1CCc2sccc2[C@@H]1c1cccc(C(F)(F)F)c1 84653307 UILSSESXGROSFV-IBGZPJMESA-N 402.441 5.947 0 1 HKAF CC(C)(C)c1ccc(O)c([C@]2(c3ccccc3)C(=O)Nc3ccc4ncsc4c32)c1 96937511 FBVPKDZFMCLROJ-VWLOTQADSA-N 414.530 5.586 0 1 HKAF O=c1nc(-c2c(Cl)cccc2Cl)sn1-c1ccc(OC(F)(F)F)cc1 103200228 HKZZCIGHUQVMKP-UHFFFAOYSA-N 407.200 5.166 0 1 HKAF FC(F)Oc1ccc(-c2nnc3cncc(Oc4ccc(C(F)(F)F)cc4)n23)cc1 103303334 CONUSWGEFVYDPG-UHFFFAOYSA-N 422.313 5.204 0 1 HKAF Oc1c2cnnc-2nc(SCc2ccccc2Cl)n1-c1cccc(Cl)c1 103893281 AHIGMWTVZUVNFK-UHFFFAOYSA-N 403.294 5.072 0 1 HKAF CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(Cl)cc2)C2=C(O)CC(C)(C)CC2=N1 103993123 ZFUJRPZZGWGWPN-OAQYLSRUSA-N 413.945 6.270 0 1 HKAF CC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(Cl)cc2)C2=C(O)CC(C)(C)CC2=N1 104700548 BLEMKZCVEDHSPN-NRFANRHFSA-N 412.961 5.797 0 1 HKAF CCC[C@H](c1nnn[nH]1)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1)CCCC3 113190226 FZEFPXNBYPTJOY-SFHVURJKSA-N 417.582 5.904 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1ccccc1Oc1ccccc1 167159408 IVRJUTHGGRGNOW-OAQYLSRUSA-N 417.505 5.750 0 1 HKAF COc1ccccc1[C@H](c1ccc(OCCN2CCCCCC2)cc1)c1cccs1 206287531 UOTTXQLAHNDXHQ-SANMLTNESA-N 421.606 6.192 0 1 HKAF Cc1cc(-c2sc3cc(O)ccc3c2Oc2ccc(/C=C/C(=O)O)cc2)ccc1O 221150202 UFNDUDYGPWPHDE-NYYWCZLTSA-N 418.470 6.178 0 1 HKAF CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccsc2)cc1 299871120 XURKSAYXXNBLBK-ZKMPZPQNSA-N 418.606 5.925 0 1 HKAF Cc1c(C)c2ccc(OCc3ccc(CN(C)Cc4ccccc4)cc3)cc2oc1=O 473129460 GUHZCGGDBZLQMV-UHFFFAOYSA-N 413.517 5.621 0 1 HKAF CCCCOc1cc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2cc1Br 586883601 CNXSRDKQPBTDAJ-HZSPNIEDSA-N 403.320 5.143 0 1 HKAF OCCCCCCCCCCCc1nc2cc(Br)cc(Cl)c2[nH]1 586894727 SABVZESEVNXGIV-UHFFFAOYSA-N 401.776 6.025 0 1 HKAF Cc1c(-c2nc3cc(Br)c(OCC(C)C)cc3[nH]2)oc2c1[C@@H](O)CCC2 586905661 XYGDPZMOZXJPHM-HNNXBMFYSA-N 419.319 5.298 0 1 HKAF Cc1ccc(-n2cnnc2SCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1Cl 586968086 LSXCMUGYUCSJBC-UHFFFAOYSA-N 424.744 5.705 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(C(F)(F)F)ccc1C3 586985457 DEAJSJSKOSOQIC-UHFFFAOYSA-N 403.359 5.742 0 1 HKAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)cs1 587019650 SDLMBIKOLJSEJE-UHFFFAOYSA-N 418.309 5.561 0 1 HKAF Cc1cncc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c12 587054034 ICUYXJMKFWSEOH-ZDUSSCGKSA-N 414.292 6.505 0 1 HKAF Clc1cccc(/C=C/c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1Cl 587055802 XPULJDHRTSDDCQ-PKNBQFBNSA-N 422.340 7.317 0 1 HKAF COC(=O)c1cc(Br)c2[nH]c([C@@H](C)Oc3ccc(Cl)cc3C)nc2c1 587067197 YAUCGWXCMLAVTA-SNVBAGLBSA-N 423.694 5.214 0 1 HKAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Br)cc(Cl)c2[nH]1 587078999 FFASSVAMYOQNTD-ZDUSSCGKSA-N 424.129 5.356 0 1 HKAF FC(F)(F)Sc1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 587118262 LSYNUDULXCZONJ-UHFFFAOYSA-N 406.355 5.316 0 1 HKAF FC(F)(F)Sc1ccc(/C=C\c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 587126360 YMHCRKFCZOKWAO-YWEYNIOJSA-N 419.472 5.177 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@H]4C[C@@H]4c4cccc(F)c4)[nH]c3c2)cc1 587161285 MALUPBDZVLSFBC-UXHICEINSA-N 402.425 5.552 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3cccc(NC(=O)c4ccc(F)cc4)c3)nc2c1 587163738 SCSBYNOSBXUCCY-UHFFFAOYSA-N 424.273 5.692 0 1 HKAF Cc1ccc(C)c2[nH]c(-c3ccccc3NCCNc3ccccc3C(=O)O)nc12 587231211 NRNZPAWOPAOAMW-UHFFFAOYSA-N 400.482 5.069 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3ncc(Cl)cc32)[C@@H]1c1ccc(F)cc1 587330574 NVHSCRAAELWKFA-FYYLOGMGSA-N 409.844 5.170 0 1 HKAF C[C@@]1(c2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334745 PWFBBGAPFDYKSC-IRLDBZIGSA-N 400.808 5.598 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](CCC(=O)O)CCC3)c1 587366948 OVXUSYMQHOTDQT-OAHLLOKOSA-N 401.462 5.941 0 1 HKAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1cccc(C)c1 587399076 HPZLAEOQJOIRIY-HSZRJFAPSA-N 403.478 5.180 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cn(C(=O)OC(C)(C)C)c4c(C)cccc14)[C@@H](C2)C3=O 587429905 DNBRLQBLZVCLJQ-SBUREZEXSA-N 419.477 5.230 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OC)c1C(F)(F)F)CC2=O 587462051 OVRSZKMJIPYYTB-KRWDZBQOSA-N 410.388 5.087 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1Oc1cccc(OC)c1)CC2=O 587476824 GKPQKRDGHOWXBY-DEOSSOPVSA-N 404.462 5.852 0 1 HKAF O=C1C[C@@H](c2ccc(Br)c3cccnc23)Oc2c1ccc1c2CCCC1 587495851 GMPKCODEOYDXFF-FQEVSTJZSA-N 408.295 5.583 0 1 HKAF Cn1cc([C@]2(c3cccc(Cl)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C=O 587499261 ICCZDGHIZDDZNL-RUZDIDTESA-N 419.908 5.279 0 1 HKAF O=C1C[C@H](c2cc(-c3ccccc3)n(-c3ccccc3)n2)Oc2c1ccc1c2CCCC1 587516643 UMNFQAMSADZDCS-HHHXNRCGSA-N 420.512 6.125 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(OC(F)(F)F)c1 587553651 GFBZYITUQRWEOP-PXNSSMCTSA-N 420.314 5.133 0 1 HKAF C[C@@]1(c2ccc3c(c2)-c2ccccc2C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603426 OKHZEPYFBYKIPC-NAKRPHOHSA-N 420.464 5.840 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccccc2)cs1 587614322 RVPNGAZVVYDYCF-QPPBQGQZSA-N 400.455 5.824 0 1 HKAF Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1Cl 587718848 OOTMBFCYDCQFJQ-MGNBDDOMSA-N 400.694 5.487 0 1 HKAF Cc1ccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587742762 TXXYZDJWQUTPOI-CUPHMOHQSA-N 417.366 5.058 0 1 HKAF Cc1c(F)ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 587782552 PQIUQTQXPNZNHR-UHFFFAOYSA-N 422.503 6.847 0 1 HKAF Cc1ccc(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587799550 XUCSCDIQXUIKNN-YEJXKQKISA-N 414.322 5.219 0 1 HKAF CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC 587801170 JHDHWVQECXKJFH-MPBGBICISA-N 408.311 5.009 0 1 HKAF CC[C@@H]1c2cc(OC)ccc2CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587807273 KPYCRUZOVZNUCZ-PFDOBSCMSA-N 418.350 5.466 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1CC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587810598 DCRBLAFPMKVHKA-ZDPZECHZSA-N 408.399 6.500 0 1 HKAF CC[C@]1(C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2ccc(F)c(Br)c21 587814681 IBPLOYVMWHQDDI-OKLCXMGGSA-N 406.383 5.944 0 1 HKAF CC(C)c1ccc2c(c1)[C@@]1(CCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587833955 JEDKYCHJJJIUPN-ASSNKEHSSA-N 404.323 5.272 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2cc(C)c(C)cc2s1 587861204 NBGMPFQYZOVJHO-UHFFFAOYSA-N 418.349 6.471 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2ccccc2o1 587865729 GYWYGZUQODDAES-UHFFFAOYSA-N 400.356 5.402 0 1 HKAF CC[C@]12CC[C@@H]3[C@H]4CC[C@]5(C=C4CC[C@H]3[C@@H]1CCC2=O)NCCc1cc(C)c(F)cc15 962303119 USGZGIIMDWIKES-LPOKCUNCSA-N 421.600 6.007 0 1 HKAF CCOc1cc([C@@H]2c3ccsc3CCN2Cc2ccco2)c(Cl)cc1OC 962702688 GGNXYVCULCTELD-NRFANRHFSA-N 403.931 5.550 0 1 HKAF c1cncc(CN2CCc3sccc3[C@@H]2c2cc3c(c4ccccc24)CCCC3)c1 962997189 KQPHJTZMFZZBCX-HHHXNRCGSA-N 410.586 6.323 0 1 HKAF COc1cccc2c1CCC([C@H]1NCCc3cnc4c(OC)cccc4c31)=C2Cl 963059383 QZCBBFWOJZPVAO-XMMPIXPASA-N 406.913 5.035 0 1 HKAF Clc1cc(Cl)c2c(c1)[C@]1(NCC2)c2ccccc2-c2ccc3ccccc3c21 963102800 FRYXCVPBCGXRBQ-RUZDIDTESA-N 402.324 6.565 0 1 HKAF Cc1ccc(Nc2nc(Nc3ccc(C)cc3-c3cc(C)[nH]n3)c3ccccc3n2)cc1 1772610129 CXCNWBULZSEAJW-UHFFFAOYSA-N 420.520 6.432 0 1 HKAF CC1CCN(c2ccnc(Nc3ccc(OCCCC4CCCCC4)cc3)n2)CC1 1857557551 VOIUPYZDNZKUSY-UHFFFAOYSA-N 408.590 6.196 0 1 HKAF O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2Cc1ccccc1 1857575125 CRLOJHYDLJBMNY-UHFFFAOYSA-N 409.411 5.033 0 1 HKAF CC[C@H](C)C(=O)c1c(O)cc(O)c(CC2=C(C)[C@@H](CC=C(C)C)C(C)(C)CC2)c1O 1857607573 LSYASADRKDTAAE-OXJNMPFZSA-N 414.586 6.684 0 1 HKAF Cc1c(CN2CCOCC2)cc(-c2ccc(C(C)C)cc2)n1Cc1ccc(F)cc1 1857650535 GTUNOJHXNOSKRC-UHFFFAOYSA-N 406.545 5.607 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]21C 2356329211 XVNFRBRLEKVOLX-LWNNZSAESA-N 412.702 8.233 0 1 HKAF C[C@H](CCCC(C)(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356466749 RABSKEHWTLLVFW-QTFSMOGVSA-N 414.718 8.169 0 1 HKAF CC(C)=CCCC(C)=CCc1cc2c(cc1O)OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4 2356565663 GWPLWWRLEHMIPE-FNZWTVRRSA-N 420.505 5.966 0 1 HKAF COc1cc(C)c(O)c(C[C@@H]2[C@H](C)CC[C@@H]3[C@H](CCC(=O)O)C(=C(C)C)CC[C@@H]32)c1 2356802250 SAEUKSAQLUZKAT-GBMOIUHSSA-N 414.586 6.141 0 1 HKAF CCOc1cccc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@@H](C)C(C)C)c1 2481929 CYIYFGWKWRVOHQ-HNNXBMFYSA-N 412.917 5.835 0 1 HKAF CCCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCC 3815039 ZBOJKFDQWQBBHE-UHFFFAOYSA-N 416.319 5.714 0 1 HKAF CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)Cn1c(-c2ccc(F)cc2)[n+](C)c2ccccc21 13305066 XICGSKNNKYSGSQ-XZOYJPPVSA-N 423.552 5.276 0 1 HKAF COc1cc(O)c(C(=O)CCc2ccccc2)c2c1C[C@]1(C=C[C@H](C(C)C)CC1)O2 13308446 NVHLTNASIPVGQS-AFMDSPMNSA-N 406.522 5.512 0 1 HKAF biogenic CCCCN1CCC(COc2nc3ccc(Cl)cc3c3c2CCCCN3)CC1 13492897 IMGMVPDGFMNZGA-UHFFFAOYSA-N 401.982 5.527 0 1 HKAF C/C=C(\C)C(=O)N[C@@H]1C=C2CC[C@H]3C4=CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 13587855 WKBYYEDQGZSMCP-CNLUTGEBSA-N 424.673 5.887 0 1 HKAF C[C@@]1(C2CCCCC2)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 26823803 VOSXUKXXGOUBDV-HOFKKMOUSA-N 410.565 6.241 0 1 HKAF CCCn1c(NC(=O)c2cccs2)nc2cc(C(=O)N(C)C3CCCCC3)ccc21 28822776 INHGUDXXUIVKLX-UHFFFAOYSA-N 424.570 5.165 0 1 HKAF C1=C(c2ccc(CCN3Cc4ccccc4C3)cc2)[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 29127890 JLAMKRXQRNZJDJ-PQHLKRTFSA-N 420.600 5.780 0 1 HKAF Fc1cc(F)c(-c2c(Cl)nc(-c3ccco3)nc2NCC(F)(F)F)c(F)c1 34451231 ILYCKCZXFXHRMJ-UHFFFAOYSA-N 407.701 5.449 0 1 HKAF C[C@H]1[C@@H]2Cc3ccc4c(NCc5ccccc5)ncnc4c3[C@@]1(C)CCN2CC1CC1 40394563 BKLNRKUOWAHYHB-CAASOKRLSA-N 412.581 5.176 0 1 HKAF CC(=O)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C 40939651 RJMGGKCXNBFSBS-UHFFFAOYSA-N 422.699 5.084 0 1 HKAF CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(F)cc21 40973562 MPLSJVAMFMAOKU-UHFFFAOYSA-N 410.533 5.029 0 1 HKAF FC(F)(F)Oc1cccc(CNc2noc(-c3sccc3Br)n2)c1 45187945 HFDRTPSVOHPXIS-UHFFFAOYSA-N 420.210 5.071 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4cccc(CN5CCC[C@H](N)C5)c4)s3)nc12 45201478 CVWRMZJKAMALSM-IBGZPJMESA-N 402.567 5.190 0 1 HKAF O=C(O)c1ccccc1-c1ccc(CCc2ncc(Cc3cccc(F)c3)[nH]2)cc1 49110865 CQHOCTZCLLUZPI-UHFFFAOYSA-N 400.453 5.290 0 1 HKAF CC(C)=CCc1cc(Br)c2c(c1O)[C@]1(CC=C(C)C)CCN(C)[C@@H]1N2 49785610 HFPWSDSFBVKNTG-SFTDATJTSA-N 405.380 5.345 0 1 HKAF biogenic COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 72136308 IGFYKKMUZDKYHU-MDCHRJOPSA-N 403.607 5.055 0 1 HKAF Brc1ccccc1-c1nc(CNC(c2ccccc2)c2ccccc2)co1 72182012 IAOFDIVYRCJEBU-UHFFFAOYSA-N 419.322 5.983 0 1 HKAF COc1cc(Nc2nc3c(s2)CCC[C@H]3c2ccccc2)ccc1-c1cnn(C)c1 73158059 PYFJTKHXSSJANR-FQEVSTJZSA-N 416.550 5.764 0 1 HKAF Cc1oc(-c2cnc(NC3CCCCC3)nc2-c2ccco2)nc1-c1ccccc1 82165370 FZRJZCJYMILZRK-UHFFFAOYSA-N 400.482 6.112 0 1 HKAF CSc1nnc(Cl)c(-c2c(F)cc(F)cc2F)c1-c1ccc(Cl)cc1 84618289 BQUMQLYYTAYXPN-UHFFFAOYSA-N 401.240 6.257 0 1 HKAF CCC/C=C/C[C@@H]1C/C=C\C=C(C)/C=C\C=C/[C@H](O)[C@H](O)/C=C(C)\C=C/C=C\C(=O)N1 100305358 ALYLZDHKQZUVDF-ZEURMPLQSA-N 423.597 5.017 0 1 HKAF in-vitro CC(C)CC[C@H]1CCCCCCc2c1oc(O)c([C@H](c1ccccc1)C1CC1)c2=O 100712815 NTGVRTZESMZGOJ-FYYLOGMGSA-N 408.582 6.914 0 1 HKAF Cc1ccc([C@H]2C[C@@H]3CC[C@@H]([C@@H]2COC(c2ccccc2)c2ccccc2)N3C)cc1 100995385 PZCLLOMRKKUTII-HFLBTKGNSA-N 411.589 6.368 0 1 HKAF COc1cccc(OC)c1OCCN[C@H]1C[C@@H](c2ccccc2)c2ccccc2S1 103220212 BUACMQWTVWBBNW-GBXCKJPGSA-N 421.562 5.326 0 1 HKAF CO[C@@H](C)c1c(N(CCCF)S(=O)(=O)c2ccccc2)sc2ccccc12 115230905 KYGOJUNEKTWOLR-HNNXBMFYSA-N 407.532 5.164 0 1 HKAF O[C@@H](CNC1CCCCC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 142786264 XZOBRDKJYDMBGQ-HNNXBMFYSA-N 406.370 5.228 0 1 HKAF COC(=O)c1ccc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cc1Cl 144760545 CYRMAQQBQVIFPL-OAQYLSRUSA-N 418.798 5.572 0 1 HKAF C[C@@H]1[C@@H](CC(=O)O)c2cc(OCc3ccccc3)ccc2N1C(=O)c1ccc(F)cc1 206115208 ANLOJBTVUPUJFO-IIBYNOLFSA-N 419.452 5.012 0 1 HKAF COc1ccc(CNc2nc(-c3ccccc3)c(Cc3ccccc3OC)s2)cc1 210711479 YSISLDQCECNGHT-UHFFFAOYSA-N 416.546 6.030 0 1 HKAF C/C=C(\C)C(=O)O[C@@H]1C[C@@H](C)[C@](C)(CC/C(C)=C/C(=O)O)[C@H]2CCC=C(C)[C@]12C 238756891 XEAOZVIWAIPENF-SRUJYNSVSA-N 402.575 6.084 0 1 HKAF Cc1cc(Br)ccc1OCc1nc2ccc(SC(F)(F)F)cc2[nH]1 586981799 UCQRKJZHYWHGFE-UHFFFAOYSA-N 417.250 5.825 0 1 HKAF Clc1cccc(/C=C\c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1Cl 587055791 XPULJDHRTSDDCQ-LUAWRHEFSA-N 422.340 7.317 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(F)cc(F)c2[nH]1)c1cccc(Cl)c1 587071221 KSOFNPRFIYUKJS-OAHLLOKOSA-N 407.848 5.303 0 1 HKAF FC(F)(F)CSc1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)ccn1 587091005 DVUKOOCYVRGDJQ-UHFFFAOYSA-N 411.758 5.952 0 1 HKAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1 587093669 PMGUXGSRZKXJJG-UHFFFAOYSA-N 400.109 5.969 0 1 HKAF C[C@@H]1Cc2ccc(Cl)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587329391 LLKHJAONEOFIGJ-PZSUSGJMSA-N 408.856 5.631 0 1 HKAF CCCCC[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358578 WSWRCLZLZQKKKY-AOYPEHQESA-N 420.480 6.072 0 1 HKAF CC[C@H](C)COc1cc(Br)ccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587378948 XFDLBMWXXCGHDZ-YUNKPMOVSA-N 418.331 5.471 0 1 HKAF COc1cc(Br)cc(F)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587503623 ICNTWPPEGIPSQD-SFHVURJKSA-N 405.263 5.182 0 1 HKAF O=C1C[C@@H](c2ccccc2Oc2cccc(Cl)c2)Oc2c1ccc1c2CCCC1 587503634 VTHTZHWKWODMNB-DEOSSOPVSA-N 404.893 6.718 0 1 HKAF O=C1C[C@@H](c2c(F)cccc2I)Oc2c1ccc1c2CCCC1 587507819 SRSQOKJHTWQMPP-KRWDZBQOSA-N 422.237 5.016 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCOc1ccc(Cl)cc12 587553163 UDFSHJHMIVIZIF-NFBKMPQASA-N 408.837 5.075 0 1 HKAF COc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(C)C 587596362 VFDUCTSCGKYSEH-RDGATRHJSA-N 404.462 5.536 0 1 HKAF C/C(=C\c1cc(Cl)ccc1O)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587704452 UMSCKQGIVSEIQS-FZOPBZSUSA-N 410.714 5.626 0 1 HKAF Cc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587708807 DSFOIVUBKFNDQI-AYVTZFPOSA-N 408.258 5.298 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(SC(F)(F)F)c2)N1 587715466 BXBNWSAPMNZMIS-JDNHERCYSA-N 420.269 5.824 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3)c(F)c2)N1 587724456 ICUSDOBJPBDADJ-DMZKTXOQSA-N 414.293 6.018 0 1 HKAF Cc1cc(F)ccc1N1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587730069 IJNGJTBUBYATAQ-AWEZNQCLSA-N 421.329 5.066 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccc(F)cc3)on2)N1 587730999 GPXSNAFNTAFDMG-DGIBIBHMSA-N 405.242 5.006 0 1 HKAF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(C)C 587796302 TTZSEWVZBMQXSU-MPBGBICISA-N 408.311 5.008 0 1 HKAF CCOc1cc(CC[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587801652 MYYZTYIBOYKZPV-ASSNKEHSSA-N 422.338 5.075 0 1 HKAF CC(=O)c1c(C)cc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587814741 IRHPCADCMLYGEW-QKVFXAPYSA-N 404.323 5.340 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(CN3CCCC3)cs2)N1 587847298 KGEOCVWXXQTJED-RNODOKPDSA-N 423.395 5.043 0 1 HKAF COc1ccccc1-c1ccc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)cc1 587929859 AJDUCENBYVYCPY-UHFFFAOYSA-N 419.353 5.955 0 1 HKAF COc1cc(O)cc(-c2cccc(-c3nc4cc(Br)cc(F)c4[nH]3)c2)c1 587933307 XVSCIJQXCRSZHY-UHFFFAOYSA-N 413.246 5.513 0 1 HKAF Cc1cc(Br)cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587949897 MJSMFBPXTBCCPP-VAWYXSNFSA-N 405.295 6.597 0 1 HKAF Cc1cccc(C)c1-c1cccc(COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)c1 653689050 TVFADQUBMFZJSZ-JOCHJYFZSA-N 417.530 5.444 0 1 HKAF Cc1cc([C@H]2c3ccc(F)cc3C[C@H]3CCCN23)cc(C)c1OCc1ccccn1 963100060 PYMRQNQHPGDMDN-NOZRDPDXSA-N 402.513 5.526 0 1 HKAF CN1CCc2c(Br)cccc2[C@]12CC(=O)C[C@H](c1ccc(Cl)cc1)C2 963282849 YUEHOIBLHSHMAE-BTYIYWSLSA-N 418.762 5.323 0 1 HKAF CCC[C@H](C)N1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(F)c(F)c2)CC1 1772579293 KFGVTSJDQVXIPB-SFHVURJKSA-N 415.528 5.652 0 1 HKAF COc1ccc2c(c1)N(Cc1ccccc1)C[C@@H](C)N(C(=O)Nc1cccnc1)[C@H]2C 1772599140 CWYZYWVFYWIMBI-MOPGFXCFSA-N 416.525 5.094 0 1 HKAF Cc1cc(NCc2cn(-c3ccc(C(=O)O)cc3)nc2-c2ccccc2)ccc1F 1772604430 YXTJLSCPOFIPSA-UHFFFAOYSA-N 401.441 5.297 0 1 HKAF CS(=O)(=O)c1ccc2c(c1)c(Cc1ccc(F)cc1)cn2C=CCC(F)(F)F 1857624473 YYYLTZVVRSBSCR-UHFFFAOYSA-N 411.420 5.198 0 1 HKAF COc1ccc(-c2c([C@@H](OC(C)(C)C)C(=O)O)c(C)nc3ccccc23)cc1OC 1857648279 UJYIJGKQANOOCB-JOCHJYFZSA-N 409.482 5.168 0 1 HKAF Cc1cc(C)c(-c2ccc(N)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 1911582630 WSFFMTWYIVNIGW-UHFFFAOYSA-N 424.504 5.174 0 1 HKAF CC(C)=C(C)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356409495 KPIRFXVTLHBVFL-XQDCLUHNSA-N 412.702 7.945 0 1 HKAF C[C@@H]1CC[C@]2(C)[C@H](C)CC[C@H]3O[C@H]4C[C@]32[C@@H]1C1=C4C(C)(C)c2cccc3[nH]cc1c23 2356471623 SQICKNKEYQBAKG-QZNBIDNZSA-N 401.594 6.853 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)C[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 2356630435 PQYKVCXXAVOWQO-MXADNQSASA-N 402.663 6.360 0 1 HKAF COc1cc(O)cc(O)c1C(=O)[C@@H]1C[C@@H](c2ccccc2)C=C(C)[C@@H]1CC=C(C)C 2356786302 ZUGJZDPPJGJZPY-ILWGZMRPSA-N 406.522 6.012 0 1 HKAF Clc1ccccc1-c1nc(N2CCN(c3ccccc3)CC2)c2ccccc2n1 2452305 YUXZPMYWTUWNSE-UHFFFAOYSA-N 400.913 5.277 0 1 HKAF CCO[C@@H](Cc1ccc(OCC=C(c2ccccc2)c2ccccc2)cc1)C(=O)O 12358209 VIZRKWWMIFWRJH-VWLOTQADSA-N 402.490 5.230 0 1 HKAF CCc1nc2c(-c3ccc(C(F)(F)F)cc3Cl)ccnc2n1[C@@H](CC)COC 13479594 TUNSQAQKXUSTEG-ZDUSSCGKSA-N 411.855 5.930 0 1 HKAF O=C1Nc2ccccc2[C@@H](c2ccccc2)N1C1CCN(CCc2ccccc2)CC1 13553580 IMWOMJOKIMMICC-AREMUKBSSA-N 411.549 5.331 0 1 HKAF O=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1CN1CCC[C@@H](Cc2ccc(F)cc2)C1 13613255 WWCDUCXBCODJGF-WRALFONMSA-N 423.576 5.461 0 1 HKAF FCCc1ccc([C@]2(c3cccs3)C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)s1 26750718 NMLFXWQVLHDUDJ-FTBPSBKWSA-N 418.582 6.034 0 1 HKAF COc1cc2ccc1-c1ccccc1CCc1ccc(cc1)Oc1cccc(c1)CC2 29124305 UYGWEAIWBIKKSH-UHFFFAOYSA-N 406.525 7.038 0 1 HKAF Cc1cc2c(cc1C(=O)O)c(CCc1ccccc1)c(C(=O)NC1CCCCC1)n2C 29128295 HKZUUSRWLZOCQK-UHFFFAOYSA-N 418.537 5.033 0 1 HKAF CCCCc1cc(=O)oc2c3c(c4c(c12)O[C@@H](c1ccccc1)C=C4)O[C@@H](C)CC3=O 29133181 KYAMLCNSTRSCGH-MGPUTAFESA-N 416.473 5.636 0 1 HKAF CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Nc1ccccc1CN 40413381 CWGFQZMJLFGWDN-JOCHJYFZSA-N 415.581 5.830 0 1 HKAF Cc1ccc(CN(C)CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1 40425179 IJDHYVDBQBQRGX-UHFFFAOYSA-N 400.541 6.533 0 1 HKAF COc1ccc([C@@H]2[C@@H]3CCCCC3=NN2S(=O)(=O)c2cccc3ccccc23)cc1 43121961 YJCWBGMUNMLUDC-ZJSXRUAMSA-N 420.534 5.140 0 1 HKAF NCCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 45194787 HUFBSOFAGNHKIX-UHFFFAOYSA-N 421.155 5.683 0 1 HKAF CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccc(F)c4)c3CC[C@@H]21 45357932 ONKJNCWHGRFIII-UKILVPOCSA-N 407.916 5.786 0 1 HKAF COc1cc2c(c(O)c1CC=C(C)C)C[C@@H](c1ccc(O)c(/C=C/C(C)C)c1O)CO2 59729510 HWJXKLRHGKKFBY-DBWMJRBXSA-N 424.537 5.709 0 1 HKAF CC(C)Sc1nc(-c2ccnc(NC3CCCCC3)c2)c(-c2ccc(F)cc2)[nH]1 71317550 KAKPVALXSVEUNX-UHFFFAOYSA-N 410.562 6.523 0 1 HKAF CN(C)c1cccc([C@@H](O)c2nnc(Nc3ccc(Oc4ccccc4)cc3)s2)c1 82078469 UYDVKFICHCBKFS-OAQYLSRUSA-N 418.522 5.222 0 1 HKAF CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(F)cc2)C2=C(O)CCCC2=N1 103867766 XHRPFTXPHYORQR-HSZRJFAPSA-N 405.469 5.420 0 1 HKAF CCN(CC)CCOc1ccc2c3c(oc2c1)C(C)(C)c1cc(OC)ccc1C3=O 114802300 XAFFJTNKCAWSQX-UHFFFAOYSA-N 407.510 5.032 0 1 HKAF C[C@@]1(c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)CCN(Cc2ccccc2)C1 166699489 ZLWIWELYILHASJ-RUZDIDTESA-N 419.956 6.148 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCCC(=O)N1Cc1cccc(-c2ccccc2)n1 167574770 IEYYLRXQRJUCOL-JOCHJYFZSA-N 416.521 5.410 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCCC(=O)N1Cc1cccc(N2CCCCC2)c1 167596397 MRBGNGHITHZAPY-QFIPXVFZSA-N 422.569 5.338 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCc1ccc(OC)cc1 169352000 AWKAXTNPAOUFMN-DDHXBNBWSA-N 423.641 7.457 0 1 HKAF COC1CCC2(CC1)Cc1ccc(CCC3CC3)cc1[C@]21N=C(N)c2c(F)cccc21 204984406 UTHSLPJVFNILFB-XINNPMCZSA-N 418.556 5.262 0 1 HKAF Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccc(C(F)(F)F)cn3)c2F)cn1 224546152 AJELDIIJULWWHR-UHFFFAOYSA-N 404.367 5.339 0 1 HKAF C/C=C(/CC=C(C)C)[C@H](C)C/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C 238759533 YKTUEIIONGIOBY-HRJJUVKVSA-N 410.730 10.461 0 1 HKAF O=C(Nc1cccc(Cl)c1)Nc1cc2ncncc2cc1OCc1ccc(F)cc1 299825188 DDWIXCRHDHOSOL-UHFFFAOYSA-N 422.847 5.645 0 1 HKAF COc1cc2c(cc1OC1CCCCC1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C 473124728 OKSWJDGFCIJRHS-FQEVSTJZSA-N 423.553 5.176 0 1 HKAF CCc1nc2ccc(C)cc2n1CCCCNc1ccc(C)c(Br)c1 473247990 KUVWKXVFCLSNQN-UHFFFAOYSA-N 400.364 5.870 0 1 HKAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)c2)cc1 586879930 LMRRUQPKEMASPO-UHFFFAOYSA-N 418.496 6.679 0 1 HKAF O=C1CCC[C@H](c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)CC1 586885237 ZDUHINYDQHSFOQ-ZDUSSCGKSA-N 415.415 5.451 0 1 HKAF Cc1cc(Cc2nc3cc(Br)cc(Cl)c3[nH]2)ccc1Br 586975327 AMEXUKJYGOMJBX-UHFFFAOYSA-N 414.528 5.641 0 1 HKAF CCOc1cc(/C=C\c2nc3cc(OC)c(C)cc3[nH]2)cc(Br)c1OC 586978571 XCWQBJNYZZULTQ-SREVYHEPSA-N 417.303 5.220 0 1 HKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc3ccccc3cc2[nH]1 586981819 FPXIYNQKWBSKOO-IBGZPJMESA-N 407.355 6.851 0 1 HKAF Cc1cc(F)c2nc(-c3cc(Br)c(Br)n3C(C)C)[nH]c2c1 587005057 LGGKXTQKIYMDEA-UHFFFAOYSA-N 415.104 5.585 0 1 HKAF COC(=O)c1cccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 587011850 SFJDTAGMQLKGRF-UHFFFAOYSA-N 420.515 6.117 0 1 HKAF FC(F)(F)C(F)(F)c1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cn1 587021740 OLJUQNAEFIEOFP-UHFFFAOYSA-N 410.371 5.326 0 1 HKAF Cc1cc(Cl)cc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c12 587022237 WHXAAPKSOIVKQP-UHFFFAOYSA-N 417.925 6.454 0 1 HKAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 587041100 CWIFYGPELKEZME-INIZCTEOSA-N 422.337 5.156 0 1 HKAF Clc1cccc(/C=C\c2nc3cc(Br)cc(Cl)c3[nH]2)c1Cl 587055994 YDVNTFBZMRCPPX-PLNGDYQASA-N 402.506 6.456 0 1 HKAF COC(=O)c1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587071538 OHYKCCGBDJLAAX-GHXNOFRVSA-N 418.880 5.752 0 1 HKAF Cc1cc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Cl 587072290 QLMJVRNGEIEQJV-RWHUOPKNSA-N 405.756 7.198 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cccc(OC)c4[nH]3)c(Cl)cc12 587078457 RTBZVQFGTROIMC-GFCCVEGCSA-N 412.873 5.424 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc5c(c4)C(C)(C)C(=O)N5)nc13)-c1ccccc1C2=O 587098144 VOVPXZQTIMYGPG-UHFFFAOYSA-N 404.469 5.651 0 1 HKAF O=C1c2ccccc2-c2cc(Cc3ccc(Br)cc3)nc3cccc1c23 587102759 XQEGIQFMBVWMGL-UHFFFAOYSA-N 400.275 5.800 0 1 HKAF Fc1ccc(Oc2ccc(-c3nc4cc(F)cc(F)c4[nH]3)cn2)c(Br)c1 587161210 NAJHXNUOOWABJW-UHFFFAOYSA-N 420.188 5.597 0 1 HKAF Cc1cc(Cl)cc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c12 587231625 SNBZFXFHVQYXND-UHFFFAOYSA-N 420.900 5.414 0 1 HKAF C[C@@]1(c2ccc3cccc4c3c2CC4)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349217 BISWLLKUULQRGT-IAPPQJPRSA-N 424.471 6.057 0 1 HKAF CCC[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353488 QTJHNLSQVJTQOM-ILBGXUMGSA-N 406.453 5.594 0 1 HKAF COc1cccc(-c2cc(-c3ccccc3NC(C)=O)nc3c2oc2ccccc23)c1 587362722 KZBQFRCLSWNLRX-UHFFFAOYSA-N 408.457 6.282 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(-c3ccccc3)cc1)O2 587403913 AKPSKZUTNFTCFN-MUUNZHRXSA-N 405.497 6.153 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3c(Br)cccc13)CC2=O 587461038 VYZZGTRAUCYRHU-SFHVURJKSA-N 400.272 5.295 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3ccccc3C)cc1)CC2=O 587481764 SCCRAHUGPSWGJA-HHHXNRCGSA-N 416.517 6.113 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCN3CCCC[C@@H]3C)cc1)CC2=O 587482378 ZULKHVFRUQNBAO-AVRWGWEMSA-N 423.553 5.304 0 1 HKAF O=C1C[C@@]2(CCC[C@H]2c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587503959 DJZWURDMPKOLPC-NZQKXSOJSA-N 400.440 6.256 0 1 HKAF O=C1C[C@@H](c2cnc(SCc3ccccc3)nc2)Oc2c1ccc1c2CCCC1 587531230 GTKLNJFRENWEHP-QFIPXVFZSA-N 402.519 5.354 0 1 HKAF COC1=Cc2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccsc21 587535768 OIGQPKUPOQEOBK-AREMUKBSSA-N 414.526 5.994 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1[nH]c3ccc(F)cc3c12 587566699 ADTDEBGFEZCCJN-RCZVLFRGSA-N 415.420 5.206 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC2CCCCC2)nc1 587587460 MWSUUNXMSGQNQR-WIOPSUGQSA-N 417.461 5.202 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Oc3c(Cl)cc(Cl)cc3Cl)c2c1 587640827 JPVAWJSFCQLDCN-JTQLQIEISA-N 410.728 7.169 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(C(=O)C(F)(F)F)c2c1 587642967 XWJANKLTTAGTJV-SNVBAGLBSA-N 414.254 7.400 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3ccc(Cl)cc3)c2)N1 587701447 UMKOVUKDTCTAQP-JEOXALJRSA-N 420.713 5.051 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Cl)c2)(C(F)(F)F)N1 587711992 ZAODKWCNKYBNEJ-ABKXIKBNSA-N 422.647 5.582 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2C(F)(F)F)N1 587714125 UZBGRCDQNWIIEN-BCTVWOGZSA-N 406.192 5.370 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(C(F)(F)F)cc2)N1 587714370 PNXRNXYHZMRMBK-ZMZPIMSZSA-N 416.256 5.599 0 1 HKAF Cc1ccc(C)c(-n2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 587754065 KKTMMWTXVNYPEV-NYHFZMIOSA-N 413.334 5.619 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(C3CCC(=O)CC3)CC2)N1 587818307 QBPFXTBDYRYGPQ-TZHTUTLZSA-N 408.355 5.267 0 1 HKAF COc1cccc2cc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)oc12 587829290 QAILCZDNODBMIS-YBTHPKLGSA-N 404.279 5.141 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2C2CCOCC2)N1 587836392 UEGLAOODGSXDFB-LRTDBIEQSA-N 404.323 5.106 0 1 HKAF Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)sc2ccccc12 587853140 KYHUUMJBRXXJMW-GIPWTMENSA-N 404.348 5.909 0 1 HKAF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3cc(F)ccc3F)cs2)cc1 587922132 IPPIHBXNRAJMTO-UHFFFAOYSA-N 402.466 6.026 0 1 HKAF O=C1c2ccccc2C(=O)N1Cc1ccccc1-c1nc(-c2ccc(F)cc2)cs1 587923259 YJTIJSAUABLONJ-UHFFFAOYSA-N 414.461 5.412 0 1 HKAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(Br)cc(Cl)c4[nH]1)(C3)C2 587949413 FTMVLQWLDXLKBP-ORMMXULVSA-N 423.738 5.132 0 1 HKAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(Sc5ccccc5)cc4[nH]1)(C3)C2 587949771 BGGKHRCXNPDVQB-FLCJAFJVSA-N 418.562 5.868 0 1 HKAF CCC[C@]1(c2c(C)c3ccccc3n2C)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962573478 SBHIQNKFFACINH-WGDIFIGCSA-N 406.570 5.424 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccccc2F)([C@H]2CC[C@H](C(=O)O)CC2)N1 962944824 FRTKZCFKWIIUMD-RSKZJDTISA-N 420.528 5.366 0 1 HKAF CCSc1ccc([C@@]2(c3cccc(Cl)c3)NCCc3c2sc(C)c3C)cc1 963028946 QUNDVRHPSXIQGI-QHCPKHFHSA-N 414.039 6.568 0 1 HKAF Cc1cccc(C)c1[C@]1([C@H]2CC[C@H](C(=O)O)CC2)c2ccc(F)cc2C[C@@H]2CCCN21 963096226 CZLFRFNSZUCCFH-ZSHGOAHXSA-N 421.556 5.598 0 1 HKAF Cc1cc(-c2nc(-c3ccc(C)c(C(F)(F)F)c3)n3c2CCO[C@H](C)C3)cc(C)n1 1772651716 IYLUSOABWVNCON-MRXNPFEDSA-N 415.459 5.517 0 1 HKAF O=C(OCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)[C@H]1CN2CCC1CC2 1857547261 BLFDLFBLCZXAQW-FQEVSTJZSA-N 405.325 5.231 0 1 HKAF O=C1/C(=C/c2ccc(Oc3ccccc3)cc2)NC(=S)N1c1cccc2ccccc12 1857755472 ZZBSRQUZLICZIS-QJOMJCCJSA-N 422.509 5.894 0 1 HKAF Cc1ccccc1NC(=O)[C@H](NCCc1ccc(Cl)c(Cl)c1)c1ccccc1 1857763623 IMPZZZWYWPMNNT-JOCHJYFZSA-N 413.348 5.814 0 1 HKAF CC(=CCCc1coc(Cc2ccoc2)c1)CCC[C@@H](C)C[C@@H]1OC(=O)C(C)=C1O 2356566529 KXCGKQKQHXCUKP-JPYJTQIMSA-N 412.526 6.296 0 1 HKAF CCC=Cc1cc(OC)c2c(c1)[C@H](CC)[C@@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)O2 2356678352 BKCYIUQVIIDCLV-YADARESESA-N 424.493 5.596 0 1 HKAF CC(=O)O[C@@H]1C=C2[C@@H]3CCC4=C(C(=O)OC4)[C@]3(C)CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@@H]12 2356804761 UZMAAQCIFZIXAS-YXGHEBEOSA-N 412.570 5.370 0 1 HKAF CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)Cn1c(-c2ccc(F)cc2)[n+](C)c2ccccc21 3878746 XICGSKNNKYSGSQ-MEKIYTOJSA-N 423.552 5.276 0 3 HKAF Cc1cc(S[C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)nc(C(C)C)n1 13139553 ITVRTRGXOJTNSM-MRXNPFEDSA-N 418.777 5.127 0 3 HKAF COc1ccc2c(c1)[C@@]1(OCCC=C[C@H]1C)C(=O)N2Cc1ccccc1C(F)(F)F 36381905 YJZPZMMJNUCTRB-IVZQSRNASA-N 417.427 5.069 0 3 HKAF CCc1nc2c(OCC3CCCCC3)cccn2c1N(C)C(=O)c1ccc(OC)cc1 61905980 BDLYKCFZJVJNPC-UHFFFAOYSA-N 421.541 5.141 0 3 HKAF C1=C(c2sc3ccccc3c2-c2ccc(OCCN3CCOCC3)cc2)CCCC1 61947962 HUJYAIUEKAOPKL-UHFFFAOYSA-N 419.590 6.237 0 3 HKAF Nc1sc(Cc2ccccc2)cc1C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 95570729 VKURQNXVGPFNOT-UHFFFAOYSA-N 408.526 6.300 0 3 HKAF CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCN(CC)CC 4212592 PRBSUYPHQFSHBH-BJKOFHAPSA-N 415.622 5.282 0 1 HKAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCc1ccccc1OC 4295266 HJKBFKVXMJJIMN-DNQXCXABSA-N 424.541 5.034 0 1 HKAF O=C(Nc1ccc(Cl)cc1C(=O)NCc1cccs1)c1ccc(Cl)cc1 5176180 BZNHZYRTHXAOCI-UHFFFAOYSA-N 405.306 5.237 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOc1ccccc1 27527085 CZKXOYAPOXVGMG-DOFZRALJSA-N 423.641 7.327 0 1 HKAF COc1ccc(OC(=O)C2CCN(C3(c4ccccc4)CCCCC3)CC2)cc1OC 27556330 HPAFIKYFJDZRCV-UHFFFAOYSA-N 423.553 5.181 0 1 HKAF CCCN(CCC)c1cc(C)nc2c(-c3ncc(N4CCCCC4)cc3C)c(C)nn12 28345458 WHRQWXPGWOSULQ-UHFFFAOYSA-N 420.605 5.333 0 1 HKAF COc1cc(OC/C=C(/C)CCC=C(C)C)c(OC)cc1/C=C1/SC(=O)NC1=O 28703447 PLBQMFAYMYQASH-SDKQQHSKSA-N 417.527 5.099 0 1 HKAF CCN[C@@H](c1ccc(Cl)c(Cl)c1)[C@H](NCC)c1ccc(Cl)c(Cl)c1 28765267 XPYZJYBYMAZJAO-HDICACEKSA-N 406.184 6.302 0 1 HKAF CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@@H](COC(C)C)c1ccccc1 28956342 OLYJMQZJBSEVGY-QFIPXVFZSA-N 420.557 5.675 0 1 HKAF Cc1ccc(C)c(OCC(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)c1 29048972 IWNQSGOVBGXBTK-UHFFFAOYSA-N 400.478 5.746 0 1 HKAF Cc1ccc2cc(CN(Cc3ccccc3)C(=O)c3cccnc3)c(Cl)nc2c1 36635166 IHTYLASDJACIRQ-UHFFFAOYSA-N 401.897 5.434 0 1 HKAF CCCCc1cnc([C@H](CCCC)Cc2ccc(-c3ccccc3C(=O)O)cc2)[nH]1 49031727 DHDWHBGBFRLMTK-OAQYLSRUSA-N 404.554 6.634 0 1 HKAF CNc1nc2cnc(Nc3cccc(Oc4ccccc4)c3)cc2n1Cc1ccccc1 82082054 ZORBDPAVBMUZCB-UHFFFAOYSA-N 421.504 6.057 0 1 HKAF CC[C@@H](C)Nc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccc(F)cc2)n1 82141724 KDQOLWXIVDOBOL-QGZVFWFLSA-N 400.542 5.247 0 1 HKAF CC[C@@H](C)Nc1ncc(C(=O)N(C)CC(C)C)c(-c2ccc(-c3ccccc3)cc2)n1 82160060 HYUGMWFMVVKSSU-LJQANCHMSA-N 416.569 5.749 0 1 HKAF CCOP(=O)(OCC)[C@@H](Cc1ccc(F)c(F)c1)c1cc2ccccc2s1 84586841 OHAAVQXWGVFRQO-SFHVURJKSA-N 410.422 6.729 0 1 HKAF CC1=CC[C@@]2(C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@@H]1C 85918013 CJRZLPSJKBMUPM-ZEBJMJBQSA-N 424.713 8.233 0 1 HKAF in-man CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 96931438 WSFPFPXLMYCOBT-PSTOXXEMSA-N 414.718 8.313 0 1 HKAF O=C1O[C@](CCc2ccccc2)(c2ccccc2)CC(O)=C1Sc1ccccc1 100364048 FIBRYMVJJKPDTM-VWLOTQADSA-N 402.515 6.024 0 1 HKAF COc1ccc2c(c1)CCC[C@H]2Nc1cc(-c2ccc3ncsc3c2)nc(C)n1 141855539 XXISDMCYTFEJSG-LJQANCHMSA-N 402.523 5.560 0 1 HKAF CC(C)=CCN1C(=O)[C@@]2(O[C@H](C)CC3=CCC[C@@H]32)c2c(Br)cccc21 169355502 WNIVGPRDFFPVKC-ZJTDPSCFSA-N 402.332 5.102 0 1 HKAF CC(C)CC(=O)C[C@@H](C)[C@]1(C)CCC2=C1CC=C1[C@@H]2C[C@H](O)[C@H]2C[C@H](O)CC[C@]12C 255269521 SZEHWLFLRCOLOE-CKULKZARSA-N 414.630 5.603 0 1 HKAF S=C1[C@H](CCCOCc2ccccc2)[C@@H]2CCC[C@]23C[C@@]2(CCN13)OCCS2 263599884 JJZMKOGCLSJYJV-VAPSRWTKSA-N 417.640 5.035 0 1 HKAF Nc1ccc(-c2ccc(CNCCCNc3ccnc4cc(Cl)ccc34)s2)cc1 299853342 IQANDJHRTXHDHL-UHFFFAOYSA-N 422.985 5.791 0 1 HKAF CC(C)COc1cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2cc1Br 586884771 IVIAGOKOPYFESZ-AOMKIAJQSA-N 411.343 5.732 0 1 HKAF Clc1cc(Cl)c(Br)c(-c2nc3ccc(Br)nc3[nH]2)c1 586975258 KSNJCUPVMACRLC-UHFFFAOYSA-N 421.907 5.457 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccccc3Br)nc3ccc(O)c1c23 586983756 BXNJHFUVFVJXGE-UHFFFAOYSA-N 402.247 5.581 0 1 HKAF O=C(O)c1cccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 587010860 IMQWOZVMXRNLKR-UHFFFAOYSA-N 406.488 6.028 0 1 HKAF O=C(Nc1sc2c(c1-c1nc3cc(F)ccc3[nH]1)CCC2)c1ccccc1Cl 587030761 KVMYELNWKPZKIZ-UHFFFAOYSA-N 411.889 5.825 0 1 HKAF c1ccc(COc2cccc3nc([C@@H]4CS[C@H](Cc5ccccc5)N4)[nH]c23)cc1 587042037 RPXWLZFAPBZFBU-RBBKRZOGSA-N 401.535 5.088 0 1 HKAF C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(O)cc2[nH]1 587054943 NIMBUTFSFTZJLW-LBPRGKRZSA-N 415.276 6.508 0 1 HKAF Clc1cc2ccc(-c3nc4cccc(I)c4[nH]3)cc2cn1 587085016 MJQNFYUSEMMRIM-UHFFFAOYSA-N 405.626 5.036 0 1 HKAF Cc1cc(Br)c2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc2c1 587124746 LTACFJASIWZABA-QPJJXVBHSA-N 413.262 6.416 0 1 HKAF Fc1c(F)c(F)c(/C=C/c2nc3c(Cl)c(Br)cnc3[nH]2)c(F)c1F 587131688 BFGBTSKIPQNQBV-OWOJBTEDSA-N 424.554 5.240 0 1 HKAF Cc1c(F)cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1F 587133031 OIMUJTGNXONSKH-UHFFFAOYSA-N 407.136 5.478 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1F 587148595 CMESPQAJVHRQLJ-IBGZPJMESA-N 420.337 5.908 0 1 HKAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 587159842 VRFALNPJXCQSEF-UHFFFAOYSA-N 412.403 5.033 0 1 HKAF CC(C)CCOc1cc2nc([C@@H](C)Oc3ccc(F)cc3)[nH]c2cc1Br 587169560 ZJBOYFIGQNQUAP-CYBMUJFWSA-N 421.310 6.029 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(-c4cc(N)cc5ccccc45)[nH]c3c2)cc1 587252568 ZMIKHVYZKZXHHD-UHFFFAOYSA-N 409.445 5.544 0 1 HKAF COc1cccc(Cl)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328454 UOYJZLPGHDGTRS-OFNKIYASSA-N 412.844 5.468 0 1 HKAF CCn1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nc2ccccc21 587343511 UCKAYQBFUXCIKS-DHLKQENFSA-N 416.452 5.175 0 1 HKAF CC[C@]1(c2ccc([C@@H](C)OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345699 GHZGVKQAGHKGDG-PNISEAIOSA-N 420.480 5.903 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1ccc(F)cc1Cl)[C@@H](C2)C3=O 587428050 LORDZBIYIQDJRN-MHECFPHRSA-N 424.855 5.555 0 1 HKAF CCCOc1cc(Cl)c([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OCC 587458636 DFLJIPNTEHNSMW-HXUWFJFHSA-N 418.917 5.892 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCc1ccc(Cl)cc1)(C(C)(C)C)CC2=O 587460743 HQZKMZLXACCUAE-DEOSSOPVSA-N 400.946 6.381 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(-c3ccc(Cl)cc3)c1C)CC2=O 587462079 NDMNFXHCWCFNEA-OAQYLSRUSA-N 410.901 5.507 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(OC(F)F)cc1)CC2=O 587466015 LFRJWTTUEINEJD-RUZDIDTESA-N 424.443 5.855 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(Cc3ccc(F)cc3)c1C)CC2=O 587469143 WWXNZJNQKUWQRT-XMMPIXPASA-N 407.485 5.657 0 1 HKAF Cc1ccc(Cn2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nc3ccccc32)cc1 587516464 TWNOEMPLOWHTJI-SANMLTNESA-N 422.528 5.978 0 1 HKAF COc1ccc(-c2[nH]c3ccccc3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522231 DXQKGIURRDESDI-RUZDIDTESA-N 423.512 6.429 0 1 HKAF COc1ccc(OCc2nc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cs2)cc1 587535196 JFGDREQZFYLEDL-QFIPXVFZSA-N 421.518 5.316 0 1 HKAF Cc1ccc(OCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 587565669 PESWIBYEYYANOE-UHFFFAOYSA-N 401.182 5.111 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2c1ccc1ccccc12 587587127 FTNOFQBDCSGFHT-BKMJKUGQSA-N 407.425 5.730 0 1 HKAF CCCOc1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587594798 JECFOVDZHWEYIQ-OFVILXPXSA-N 404.462 5.501 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2ccc(Cl)c(Cl)c2)N1 587691707 DBCFVPQHRCNVBC-RFAUZJTJSA-N 403.122 5.713 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2n(C)c2ccccc32)N1 587753735 BQEACKSUOBQGRH-WHEQGISXSA-N 413.334 5.194 0 1 HKAF COc1ccc2c(c1)C(C)(C)C[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587812521 ZTYOUCMRFLGWPJ-XUSGNXJCSA-N 404.323 5.056 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(C=O)c2)(C2CCCC2)N1 587819122 LGBRJXFEMBDXES-PEBXRYMYSA-N 416.334 5.369 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccccc3)o2)N1 587841618 BPVHQKUPHINLDX-FKIZINRSSA-N 418.331 5.956 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(Cl)cccc3s2)N1 587858439 QOLDPELQJNQYOB-YYSFKGJASA-N 410.739 6.080 0 1 HKAF COc1ccc2c(c1)C[C@H](c1nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]1)CC2 587938427 VZYVESREMGAPKJ-LLVKDONJSA-N 414.349 5.882 0 1 HKAF CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCCC1)c1ccccc1 621431475 LKNKNDLJJFVAAI-OAQYLSRUSA-N 405.369 5.222 0 1 HKAF Nc1ccccc1SCC(=O)Nc1ncc(Cc2cccc3ccccc23)s1 653708020 KCFZWNPMFRTYCN-UHFFFAOYSA-N 405.548 5.200 0 1 HKAF Cc1cc2c(cc1F)[C@@]1(C=C(c3ccccc3)Oc3c1ccc1ccccc31)NCC2 962088805 GSPQWMFWAQUFDC-NDEPHWFRSA-N 407.488 6.110 0 1 HKAF COc1ccc2c(c1OC)[C@@](c1ccc(Cl)cc1)(c1ccccc1C)N(C)[C@H](C)C2 962568907 LLACHXBTGDSIMO-WXTAPIANSA-N 421.968 5.834 0 1 HKAF CCOC(=O)CCC[C@]1(c2cc(F)cc(F)c2)c2ccc(F)cc2C[C@H]2CCCN21 963098686 JAOSIPXLLWQBNC-QPPBQGQZSA-N 417.471 5.101 0 1 HKAF Oc1ccc(-c2cc3c(O[C@H](c4ccccc4)C(F)(F)F)ncnc3s2)cc1 1857629931 WUBFVCRDMKEKNI-QGZVFWFLSA-N 402.397 5.746 0 1 HKAF CC(=O)N1CCC[C@H]1COCCCCCC/C=C/c1ccc(-c2ccccc2)cc1 1857761540 HBISRKOLKCHZMC-VYTBZZOSSA-N 405.582 6.345 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356330177 HAUSGVBENZHLGK-VBYSWRRDSA-N 412.746 9.300 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356582796 XOCKKQKIUYNBRG-YTOXFOCJSA-N 418.706 6.685 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C)C(C)C 2356643099 HIHARYSBUQWZCH-GEAZHQRXSA-N 424.669 7.663 0 1 HKAF CC(C)=CCC[C@@](C)(O)C=CCC(C)=CCCC(C)=CCc1cc(O)cc(C)c1O 2356646296 XBSFKKHIMQOPQZ-HHHXNRCGSA-N 412.614 7.065 0 1 HKAF CC(C)CCN1CC2=C(CC[C@@H]3[C@]2(C)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]23C)C1=O 2356861754 UMWFLPKNTCIRHN-KJGFFNNUSA-N 401.591 5.279 0 1 HKAF COc1ccc(-c2ccccc2[C@H]2[C@@H]3C=CC[C@@H](C)[C@@H]3C(=O)N2Cc2ccccc2)cc1 13814463 MIRBLGAOWVRILZ-YGLGWZAOSA-N 423.556 6.274 0 3 HKAF Cc1ccccc1-c1ccc(/C=C/[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@H]32)nc1 13673162 BQGPQWKNFRIWCM-OFOKSQAISA-N 401.550 6.074 0 1 HKAF CC(=O)c1ccc(OCc2ccccc2)c(/C=C/Cc2ccccc2/C=C/C(=O)O)c1 34296419 OSUQTMYUYJTYMX-YUFDWGCQSA-N 412.485 5.822 0 1 HKAF Cc1ccc([C@H]2c3[nH]c4ccc(C)cc4c3CCN2C(=O)CCc2ccccc2)cc1 35860304 XJMQAQZHSFRSSC-NDEPHWFRSA-N 408.545 5.892 0 1 HKAF Cc1ccc(NC(=O)CSc2snnc2-c2ccccc2)c(Br)c1 40865270 NYAYJFRJNXGZQC-UHFFFAOYSA-N 420.357 5.007 0 1 HKAF Clc1ccc(-c2nc(CNC3CCCC3)nn2-c2ccc(Cl)cc2Cl)cc1 43014640 PVYXQGQHJUSJJG-UHFFFAOYSA-N 421.759 5.927 0 1 HKAF CCC(CC)(c1ccccc1)c1ccc(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(C(C)C)c1 43064049 KXGCCVVMZLNEPZ-ZUYUJVNMSA-N 424.581 5.516 0 1 HKAF COc1ccc(-c2ssc(=S)c2-c2cc(OC)c(OC)c(OC)c2)cc1O 59101200 WQTBTZJXGXUWOP-UHFFFAOYSA-N 422.549 5.613 0 1 HKAF Fc1ccc(-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)cc1 59225977 NDXABOYQZWPBPY-UHFFFAOYSA-N 400.331 6.354 0 1 HKAF O=C1CCN(Cc2ccccc2F)C[C@@H]1C(c1ccc(F)cc1)c1ccc(F)cc1 72106643 ZDFSASRKTAOVIG-QFIPXVFZSA-N 409.451 5.327 0 1 HKAF c1ccc(-c2ccc3c(NCCCNCc4ccc5c(c4)OCO5)ccnc3c2)cc1 72124762 IGKWJYNKXPTGRB-UHFFFAOYSA-N 411.505 5.222 0 1 HKAF COC(=O)c1ccc(-c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 82156671 PGRBLRWOWOVOLO-UHFFFAOYSA-N 417.486 5.094 0 1 HKAF C[C@H]1CCCC[C@@H]1Nc1ncc(-c2nc3ccccc3s2)c(-c2ccccc2)n1 82162545 WISIBYOHZWUDRW-LPHOPBHVSA-N 400.551 6.411 0 1 HKAF CC[C@H](C)Cn1c(-c2ccsc2)nc2c(NCCc3ccccc3F)ncnc21 82180778 UKQNYULJYNOCQR-HNNXBMFYSA-N 409.534 5.395 0 1 HKAF CC[C@@H](C)Nc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2cccc(C)c2)n1 82216858 ZFEGCVYKMSSWFH-HXUWFJFHSA-N 416.569 5.713 0 1 HKAF COc1ccc(C2=NN(C3CCCCCC3)C(=O)C2(C)C)cc1OCc1ccccc1 95554479 HNAJABKFAWCJQR-UHFFFAOYSA-N 420.553 5.570 0 1 HKAF O=c1[nH]c(Cc2ccccc2)nc2[nH]c(-c3ccnc(/C=C/c4ccccc4)c3)cc12 100424393 BUNJRVUMXKHWBD-VAWYXSNFSA-N 404.473 5.074 0 1 HKAF CC1=NNC(=O)[C@@H]1[C@H](c1c[nH]c2ccccc12)c1c(-c2ccccc2)[nH]c2ccccc12 103157447 RSYSQPQKFAIVBB-ZEQRLZLVSA-N 418.500 5.570 0 1 HKAF Fc1ccc(Oc2ccc(-c3nc(Oc4ccccn4)nc4ccccc34)cc2)cc1 115760146 ICTUJULNSHTQQF-UHFFFAOYSA-N 409.420 6.416 0 1 HKAF COc1cccc([C@@H]2CN3CCC[C@H]3c3cc(OCCCN4CCCCC4)ccc32)c1 140006750 PJOPOUWRRPPODZ-SVBPBHIXSA-N 420.597 5.232 0 1 HKAF CC1(C)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1 169303459 RGLPLEBXLNEXKU-UHFFFAOYSA-N 419.532 6.097 0 1 HKAF O=C(COc1ccc(Cl)c2ccccc12)COc1ccc(Cl)c2ccccc12 169322298 PRAANNXLPDIHRP-UHFFFAOYSA-N 411.284 6.327 0 1 HKAF C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@H]4CCC5=C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]1[C@@H]2C 255208447 DWCSNWXARWMZTG-XGPXGWHGSA-N 414.630 5.714 0 1 HKAF CC(C)c1ccc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586987168 KKXPBVDTKWEDKM-UHFFFAOYSA-N 422.484 5.456 0 1 HKAF FC(F)(F)c1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2cn1 587014230 MZTIQTUIIYMMIJ-UHFFFAOYSA-N 415.227 6.074 0 1 HKAF CCCCCOc1cc2[nH]c(-c3cc4c(s3)CCC4)nc2cc1Br 587033717 LAMYJYUIJDSWIL-UHFFFAOYSA-N 405.361 6.112 0 1 HKAF FC(F)(F)Oc1cccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 587063434 VERAONYUNKAYDL-UHFFFAOYSA-N 402.803 6.373 0 1 HKAF COc1ccc2[nH]c3c(c2c1)-c1nc2c(C)ccc4c2c(c1CC3)-c1ccccc1C4=O 587096196 HRUFFLSHJPCUFH-UHFFFAOYSA-N 416.480 6.010 0 1 HKAF Cc1ccc2c3c(c(C4CCOCC4)c(-c4ccccc4)nc13)-c1ccccc1C2=O 587102272 UPJICGGASHMUBE-UHFFFAOYSA-N 405.497 6.316 0 1 HKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(F)cc(Br)cc3[nH]2)cc1 587158520 NPHPQIIMQVSCBJ-UHFFFAOYSA-N 413.221 5.750 0 1 HKAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2)c1 587159989 ASQFIYBWVDLQFQ-UHFFFAOYSA-N 402.347 5.943 0 1 HKAF Clc1ccc(I)cc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 587183538 XQPABGNAJHXPPP-UHFFFAOYSA-N 424.456 5.190 0 1 HKAF C[C@H]1Cc2nc3cccc4c3c(c2[C@@H]2CC[C@H]3[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@@H]3[C@@]12C)CC4 587215752 MHXVVEOLTXIINJ-XMKAYVTBSA-N 415.621 6.213 0 1 HKAF Cc1cccc2c3c([nH]c12)[C@]1(CC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349736 VOOASBFWLOOYLN-BKMJKUGQSA-N 413.448 5.522 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CC[C@H]2OCc2ccccc2)[C@H]1c1ccc(F)cc1 587356357 QERQUKIUZVXRKY-CUYJMHBOSA-N 404.437 5.008 0 1 HKAF COc1cccc(-c2cc(-c3cccc4c3cnn4C)nc3c2oc2ccccc23)c1 587362054 BBKGBFNMEIQNCB-UHFFFAOYSA-N 405.457 6.210 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(-c4ccc(Cl)cc4OC)c1)[C@@H](C2)C3=O 587422211 XLRQADVANSBFHS-CPJSRVTESA-N 420.892 5.687 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(-c4cc(C)sc4C)[nH]c4ccccc14)[C@@H](C2)C3=O 587449716 CJVCAOCPAJYARS-BVZFJXPGSA-N 415.514 6.011 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(Cl)cc4)nc4sccn14)[C@@H](C2)C3=O 587450161 FLEIGWRRIVLRBL-BTYIYWSLSA-N 422.893 5.214 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1cccc(F)c1)(c1cccc(Cl)c1)CC2=O 587468352 UOUVPZILPUPUQN-XMMPIXPASA-N 410.872 6.046 0 1 HKAF CCCCCS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587481302 BECQMOPEJSPUTR-QFIPXVFZSA-N 416.539 5.015 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C=C(SC)SC)(c1ccccn1)CC2=O 587493962 VAZJIGMPZQXXPU-NRFANRHFSA-N 401.553 5.168 0 1 HKAF COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1SC(F)F 587509809 WTOKCNULMRWLQH-QFIPXVFZSA-N 404.478 5.769 0 1 HKAF Cc1cc(O)c([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587510448 YZXIKGNSEQTLGS-SANMLTNESA-N 418.920 6.142 0 1 HKAF Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525666 OYLHHMPVCBVLLP-RUZDIDTESA-N 407.513 6.729 0 1 HKAF Cc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)CC(=O)c2ccc3c(c2O1)CCCC3 587533818 WNDYBRCDADXRLA-MUUNZHRXSA-N 408.497 6.168 0 1 HKAF Cc1ccc(C(=O)c2c(C(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 587622989 VYSACVCLKRISPW-UHFFFAOYSA-N 404.214 5.284 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccccc3)c(-c3ccccn3)[nH]c2c1 587627894 LOJMESVTPGEJNJ-UHFFFAOYSA-N 406.329 6.935 0 1 HKAF Fc1ccc2[nH]c(-c3ccccc3)c(-c3ccc(N4CCOCC4)cc3)c2c1Cl 587632539 ZEYRXQUUSKQHNH-UHFFFAOYSA-N 406.888 6.131 0 1 HKAF CCOC(=O)C(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccc([C@@H](C)CC)cc12 587643494 UUJKBZCVDCFROD-ZDUSSCGKSA-N 417.427 6.113 0 1 HKAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(-c3ccc(F)c(F)c3)c2c1 587650461 WWRPYCBBPKCCRY-UHFFFAOYSA-N 417.864 5.837 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)nc2C(F)(F)F)N1 587714410 PVQIVWNYVBMPGR-WJWGPLDTSA-N 423.635 5.279 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(F)cc3)o2)N1 587732835 JYHTZPPFLDJPNS-GIPWTMENSA-N 404.254 5.611 0 1 HKAF CN1CCN(c2ccc3nc(/C=C/c4ccc(OCc5ccccc5)cc4)[nH]c3c2)CC1 587784895 VUCKMOWQMYKMKS-NTEUORMPSA-N 424.548 5.064 0 1 HKAF Cc1onc(-c2ccccc2)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587790957 DHAAWXJNMNDLOG-GTJPDFRWSA-N 415.306 5.349 0 1 HKAF CCc1ccc(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587795276 OBANQTZUFSFJJO-GTJPDFRWSA-N 414.322 5.164 0 1 HKAF CC[C@H](C)Oc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587798240 YVVHQIWKWUNZIZ-BHVCSQLQSA-N 422.338 5.398 0 1 HKAF CC(C)C/C=C(\c1ccccc1)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587821418 UYCJPKBSZCBUSV-JOMNMOIBSA-N 402.351 6.293 0 1 HKAF Cc1cccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)c1 587827306 JLFDHMQHGMNLQO-LRTDBIEQSA-N 400.291 5.780 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccsc1-c1sccc12 587858022 NYKJFMBZGBBSME-SECBINFHSA-N 406.345 5.518 0 1 HKAF CCOc1ccc(NC(=S)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 587864585 PLVOLZSSTYVHFC-UHFFFAOYSA-N 421.444 5.221 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(C(C)(C)CC)cc1 587870918 VKRNYASLZYUCIK-UHFFFAOYSA-N 410.489 5.495 0 1 HKAF CO[C@H](C)COC1CCC(c2nc3cc(Br)cc(Cl)c3[nH]2)CC1 587952022 LIKLENVOWUOFED-XSRFYTQQSA-N 401.732 5.057 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@@]3(c1ccsc1)c1cccc(Cl)c1 963043705 AAUHXEYMFIMOAH-HSZRJFAPSA-N 406.938 5.396 0 1 HKAF Cc1cc(F)cc([C@@]2(c3ccc(Br)cc3)NCCc3c(C)ccnc32)c1 963075543 SMUSDQBWEULODS-JOCHJYFZSA-N 411.318 5.038 0 1 HKAF Cc1ccccc1[C@@]1(c2cnc3ccccc3c2)c2ccc(F)cc2C[C@H]2CCCN21 963115930 WHISMLASJJBGJT-YWEHKCAJSA-N 408.520 5.995 0 1 HKAF [C-]#[N+]c1cccc(-c2ccc3c(c2)[C@@]2(CCSC(=N)N2)C2(CCC(OC)CC2)O3)c1 1772592801 XTTHPYUFDPRWJC-TVNWEXPRSA-N 419.550 5.481 0 1 HKAF COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3c4cc5c(cc4CCN32)OCO5)cc1 1772605273 PEQKFJBUYHZJAN-WNCULLNHSA-N 424.500 5.150 0 1 HKAF C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(-c4ccc5c(c4)OCO5)cc3c21 1772656553 IDUYBYPYFGSSPE-AWEZNQCLSA-N 412.424 5.124 0 1 HKAF Cc1cc(-c2cc3ccccc3oc2=O)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 1857572581 JIXXJLMHEOLCPU-UHFFFAOYSA-N 419.893 5.731 0 1 HKAF O=c1ccc2ccc(OCCCCCCCCn3ccnc3-c3ccccc3)cc2o1 1857654101 HCXDYBBZKVFLHI-UHFFFAOYSA-N 416.521 6.076 0 1 HKAF CC(C)[C@H](C)C[C@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356452305 LSZJAIFORSLKOY-NWQOASHXSA-N 416.690 6.606 0 1 HKAF O[C@@H]1CN2CCCC=CCC=CCCC3=C[C@H]4CN5CCCCC=CCC[C@@](C2)([C@@H]14)[C@@H]35 2356566548 LJHXXWLMNPGGPA-DJOAIXOZSA-N 422.657 5.103 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCC[C@](C)(O)C=Cc1cc(O)c(C)cc1O 2356607628 XWQHOLPJPWBQKN-MHZLTWQESA-N 412.614 7.370 0 1 HKAF O=C(O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCCCCCc4ccc(O)cc4)[C@@H]4C=C[C@@H]1[C@H]2[C@@H]43 2356673748 OMHJQGZJZUFMMT-CWILYBBRSA-N 406.566 5.846 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 2356799581 UPEHPQZJYSSSEI-SKZCYWOBSA-N 418.662 5.618 0 1 HKAF CC[C@@H](C)Sc1cccc(-c2nc3ccc(C)cn3c2NCc2ccccc2)c1 36382320 LNJPKDRXFJTUPB-LJQANCHMSA-N 401.579 6.812 0 3 HKAF Cc1cc2nc(-c3ccccc3)c(Cc3cccc(F)c3)n2c(C)c1Br 72136595 LUNZXSUORFCYQF-UHFFFAOYSA-N 409.302 6.111 0 3 HKAF CCC(CC)[C@H](C(=O)NCc1ccccc1)N(C)Cc1ccc(Cl)c(Cl)c1 95568731 SUULFJPUJWTZEL-OAQYLSRUSA-N 407.385 5.546 0 3 HKAF COc1ccc(-c2noc(-c3ccccc3OC)c2C(=O)NC2CCCCC2)cc1 773998 PQMGKAKUPAWBIL-UHFFFAOYSA-N 406.482 5.088 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCCC(P(=O)(O)O)P(=O)(O)O 1534683 YPQKZSYUHCGNHF-QKXOVSGLSA-N 408.412 5.257 0 1 HKAF COc1cc2c(cc1OC)C(=O)[C@@H](CCCC1CCN(Cc3ccccc3)CC1)C2 3789957 JVEGMROXNVGBJY-NRFANRHFSA-N 407.554 5.141 0 1 HKAF CCCCN(CCCC)c1cc(C)nc2c(-c3c(C)cc(C)cc3Cl)nn(C)c12 13553451 OZPKJXCXCAXWOU-UHFFFAOYSA-N 413.009 6.621 0 1 HKAF CCCCc1ncc(/C=C(/C(=O)O)[C@H](C)c2ccccc2)n1Cc1ccccc1Cl 13728118 FCHNDAICEDXWQQ-GNFOSXPUSA-N 422.956 6.199 0 1 HKAF CN(C)c1ccccc1C[S@@](=O)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 13746237 DMUFGMAFHRKMNH-LJAQVGFWSA-N 401.535 5.118 0 1 HKAF CC1=C(CC/C(C)=C/Cc2cc(C(=O)O)ccc2O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 14718345 RIYHRKNIDKXDII-UEKCLBEQSA-N 410.598 7.302 0 1 HKAF in-vitro COc1ccccc1COc1cc(/C(=C\c2cccc3ccccc23)CO)ncc1C 27620360 YKUSKKJBOCPGKB-UCQKPKSFSA-N 411.501 5.664 0 1 HKAF CC1=NC(C)=C(C(=O)O)[C@H](c2cccc(F)c2)/C1=C(\O)OC/C=C/c1ccccc1 28568173 HPSPJGKHZJPIEU-SEQIXAESSA-N 407.441 5.242 0 1 HKAF Cc1ccc(-c2nc(C(=O)NC3CCCCC3)cn2-c2ccc(Cl)cc2)c(C)c1 28702460 AEAVOWSGMJKSLJ-UHFFFAOYSA-N 407.945 5.872 0 1 HKAF CCC(=O)C(CCCCCCOc1ccc(OCc2ccccc2)cc1)C(=O)CC 32138812 TUBIPJHBXGFLOT-UHFFFAOYSA-N 410.554 6.169 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 33820602 ARVGMISWLZPBCH-XHVHEOSNSA-N 412.702 7.945 0 1 HKAF O=C1NC[C@@H](c2ccccc2)C12CCN(C1(c3ccc(Cl)cc3)CCCCC1)CC2 36222077 YTNXVSXBLIWWTH-QHCPKHFHSA-N 423.000 5.495 0 1 HKAF COc1ccc([C@]23Cc4ccccc4[C@H](O2)C2=C(CC4(CCCCC4)OC2=O)O3)cc1 36379209 OTRKBCCWZBKJFL-OZXSUGGESA-N 418.489 5.096 0 1 HKAF CC1CCC(NCc2ccc3c(c2)Cc2c-3n[nH]c2-c2ccc3cc(O)ccc3c2)CC1 43073018 WXOUUHFONNXGKO-UHFFFAOYSA-N 423.560 6.175 0 1 HKAF CN(C)C1(c2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)CCOCC1 43205395 UKCGWHJHNMHHIL-UHFFFAOYSA-N 416.631 5.678 0 1 HKAF Fc1ccc2nc(-c3cccc(-c4cccc(CNCc5ccccc5)c4)c3)[nH]c2c1 45323219 CYJXDVFQJNWYML-UHFFFAOYSA-N 407.492 6.326 0 1 HKAF O=C(OCc1ccc(Cl)c(Cl)c1)C1(c2ccc3ccccc3c2)CCNCC1 64559007 UJQXWGMGODQGES-UHFFFAOYSA-N 414.332 5.511 0 1 HKAF O=C1c2cc(N3CCCCC3)ccc2N[C@@H](Cc2ccccc2)N1c1ccc(O)cc1 72113051 KEQZMBNINGGAPZ-RUZDIDTESA-N 413.521 5.024 0 1 HKAF CC1(C)[C@H]2CC[C@@H](CNc3cc(Oc4ccc5oc6ccccc6c5c4)ncn3)[C@@H]1C2 82067326 PLDJJORFZFHCHH-FIKGOQFSSA-N 413.521 6.653 0 1 HKAF C[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)OCCC1CCCCC1 82083829 DNROPNOAGBNTLO-CQSZACIVSA-N 420.962 5.095 0 1 HKAF CCCCCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 84733369 GTPMKIMWTOQDDD-FLVCZDKCSA-N 420.678 5.698 0 1 HKAF C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@](C)(Cc3c[nH]c4ccccc34)[C@H](C)CC[C@@]21C 85599916 ZEETTZHRLKVSNU-PNZHDMLZSA-N 405.626 7.184 0 1 HKAF O=C(Nc1ccc(OCCCN2CCCCC2)cc1)Nc1cc(Cl)cc(Cl)c1 96270465 KNEPUUPQUYRNID-UHFFFAOYSA-N 422.356 5.892 0 1 HKAF C=C(Nc1ccc(C(C)(C)C)cc1)N1[C@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 101498406 KJMLHNUYGCMMLF-VXKWHMMOSA-N 424.610 5.337 0 1 HKAF O=C1O[C@](CSc2ccccc2)(c2ccccc2)CC(O)=C1Sc1ccccc1 103217413 OLBDFXOVELREJY-XMMPIXPASA-N 420.555 6.183 0 1 HKAF CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccsc2)C2=C(O)CC(C)(C)CC2=N1 104003988 CPTBLWMTNOUBQP-FQEVSTJZSA-N 407.539 5.535 0 1 HKAF CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(O)=C2[C@@H]1c1ccco1 104048825 FZYZAUVLVXQPJH-BCHFMIIMSA-N 412.489 6.158 0 1 HKAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3ccc(Cc4ccccc4)cc3CC[C@@H]21 117619542 OSLRZRZKFUCTJA-SQHAQQRYSA-N 421.544 5.488 0 1 HKAF C[C@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 140465149 OQIJRBFRXGIHMI-AIMABQEKSA-N 420.678 5.412 0 1 HKAF Cc1cc(O)cc2c1O[C@@]1(C)CC[C@H]3[C@@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@@]43C)[C@@H]1C2 238735851 TZWCKPCQUXPESN-FNYGVUNWSA-N 410.598 6.232 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=C[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255222028 JXWWITGIOCSBLV-XQDHGAOQSA-N 410.686 7.577 0 1 HKAF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]23)ccc1O/C=C\C(C)C 257498515 NXUQPWMHPDPMCA-YVZIQVRQSA-N 424.493 5.048 0 1 HKAF endogenous,in-man CCCN(CC[C@H](C)[C@@H]1CC=C(C)CC1)Cc1ccc2c(c1)[N+](=O)C(C)(C)N2O 377836303 DAHPGIRIOMZKIM-PZJWPPBQSA-N 400.587 6.027 0 1 HKAF COc1cc(C2CC2)cnc1-n1nc(OC(C)C)c(Oc2c(F)cccc2F)c1C 473109495 SHPSTULSNPAAKR-UHFFFAOYSA-N 415.440 5.319 0 1 HKAF CCCCC1CCC(c2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)CC1 586884295 MLIOXQGTHHROFL-UHFFFAOYSA-N 406.526 6.606 0 1 HKAF Oc1c(-c2ccccc2)cccc1-c1nc2c(Cl)c(Br)cnc2[nH]1 586897152 YUGZYPDPQNIPSK-UHFFFAOYSA-N 400.663 5.413 0 1 HKAF N[C@H](Cc1cccc(Br)c1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 586984859 VOAPOJMSPQLRBH-GFCCVEGCSA-N 416.266 5.180 0 1 HKAF CCCCCOc1cc2nc(CCc3scnc3C)[nH]c2cc1Br 587026792 IUCHZIPBOMXLGH-UHFFFAOYSA-N 408.365 5.445 0 1 HKAF Fc1c(Cl)cc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c1F 587063683 SEAIPWOSPKOHEX-UHFFFAOYSA-N 405.231 6.394 0 1 HKAF CCOC(=O)/C(=C/c1ccccc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587095776 AMZRWTBIJWNEHB-HZHRSRAPSA-N 419.480 5.858 0 1 HKAF Cc1ccc2c3c(cc(-c4sc(-c5ccccc5)cc4N)nc13)-c1ccccc1C2=O 587101974 KIFGWAXWUTYKRG-UHFFFAOYSA-N 418.521 6.732 0 1 HKAF CC(C)(C)OC(=O)N1CCC(c2cnc3cccc4c3c2-c2ccccc2C4=O)CC1 587104374 GOQNQBZONZTNLX-UHFFFAOYSA-N 414.505 5.561 0 1 HKAF CCCOc1cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2cc1Br 587109928 XHEOGHMEYYEAHK-UHFFFAOYSA-N 417.200 5.939 0 1 HKAF Cc1c(Br)ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 587159722 VJJIOBTWMZELDI-UHFFFAOYSA-N 421.273 5.779 0 1 HKAF Cc1c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc(-c2ccc(F)cc2)n1C 587165812 KUECVMVZUPYSHJ-UHFFFAOYSA-N 424.348 5.732 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3Nc3ccccc3OC)nc2c1 587241541 UWNIOOHAJJTBJI-UHFFFAOYSA-N 407.857 5.422 0 1 HKAF Nc1c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)ccc2ccccc12 587254729 WOFUPELGODWNAV-UHFFFAOYSA-N 422.204 5.626 0 1 HKAF CCOC(=O)Cc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C(C)C 587362176 FWIANEBFLHEYDE-UHFFFAOYSA-N 403.478 5.886 0 1 HKAF CCOC(=O)C[C@@H]1CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587363280 PNCYZRTWRUXCNQ-INIZCTEOSA-N 401.462 5.640 0 1 HKAF CCCCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CCCC(=O)O 587367717 TUWHFLNWFKVJPZ-UHFFFAOYSA-N 417.505 6.407 0 1 HKAF COc1ccc2[nH]c3c(C)cc([C@@H]4CC(=O)c5cc(C)cc(N)c5O4)c(C)c3c2c1 587396000 IANMXNXFMFHHQB-QFIPXVFZSA-N 400.478 5.544 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(C)(C)C)[nH]c3ccc(C(C)(C)C)cc13)O2 587396816 POJRFDCBXHBDKW-NRFANRHFSA-N 404.554 6.360 0 1 HKAF CC[C@H](C)Oc1c(Cl)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587418650 AKUSBEMVULYISS-UYWYVWFRSA-N 402.874 5.023 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCc1ccccc1Cl)(c1ccccc1)CC2=O 587462618 PRGPPCQPWHWEOL-SANMLTNESA-N 420.936 6.492 0 1 HKAF CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1OCC 587496890 GRTFTGFZKONEEU-FQEVSTJZSA-N 400.902 5.723 0 1 HKAF CC[C@@H](C)Oc1c(Cl)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587498838 PIPJEJDNGIXTGJ-SZNDQCEHSA-N 414.929 6.111 0 1 HKAF O=C1C[C@@H](c2cc(Cl)cc(Br)c2O)Oc2c1ccc1c2CCCC1 587499839 PMWAWFYCAPMLLS-KRWDZBQOSA-N 407.691 5.393 0 1 HKAF O=C1C[C@@H](c2ccc(Oc3ccc(F)c(F)c3)cc2)Oc2c1ccc1c2CCCC1 587508687 ZTUMWPWZLSSNLL-DEOSSOPVSA-N 406.428 6.342 0 1 HKAF Cc1[nH]c2ccc(Cl)cc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551630 HUSJTZZRIZBBPW-NZQKXSOJSA-N 405.837 5.538 0 1 HKAF CCc1ccccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574922 CTRJRFVBZNEYRD-JYFHCDHNSA-N 411.457 5.448 0 1 HKAF Cc1ccc(SC(C)(C)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587607437 MTGDLBSVSYOMDK-NZQKXSOJSA-N 406.503 5.602 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccccn2)o1 587611124 FLRHFBSEKISFJN-NFBKMPQASA-N 417.442 5.234 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc4c(c3)OCCO4)c(C(=O)C(F)(F)F)c2c1 587642959 XTEWXHYPPIIOIO-LBPRGKRZSA-N 403.400 5.865 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3ccnc3)cc2Cl)N1 587699365 XASXCYJRYFKGEI-NSPYISDASA-N 420.713 5.051 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c2[nH]c2ccc(Cl)cc32)N1 587700741 SRTDCTPNZQOKAG-SBKAZYGRSA-N 419.725 5.447 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)ccnc2Cl)N1 587708038 XNPSXXCKCIERIA-BCTVWOGZSA-N 404.110 5.088 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(F)(F)F)ccc2F)N1 587713277 SICWHKZZRVOXOZ-XLFHBGCDSA-N 420.219 5.544 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SC(F)F)cc2)N1 587713493 DGIOOCUWGGMNSJ-JDNHERCYSA-N 402.279 5.527 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2CN2CCCCC2)N1 587765191 ISGAFBKBBBWAFH-QRQCRPRQSA-N 417.366 5.198 0 1 HKAF Cc1ccc(C)c(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587799042 VXECPWANINBYLB-LRTDBIEQSA-N 414.322 5.219 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)CCC[C@]31N[C@H](C)Cc2cc(Br)c(F)cc21 587802160 KMGLHFFZFHCFLR-MCMMXHMISA-N 413.334 5.492 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H]2CCCCC2=O)N1 587818773 FNPOPOJKXZDFBD-AOSWFRPUSA-N 416.334 5.125 0 1 HKAF Cc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 587821215 TYXASJANKTURTP-IQMFZBJNSA-N 410.330 6.187 0 1 HKAF COc1ccc2oc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)c2c1 587826234 DRANHBHQVFVIAE-WSVYEEACSA-N 418.306 5.449 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCCC(=O)O)(c2ccccc2)N1 587827984 NCBFWTCQPFZBCB-QKKBWIMNSA-N 420.322 5.011 0 1 HKAF COc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 587829434 QZVSJBYQQXEJKC-XUSGNXJCSA-N 416.290 5.480 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(CN3CCCCC3)cs2)N1 587845821 GBONJPBGXBFLMF-RNODOKPDSA-N 423.395 5.259 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc(C)cc2)o1 587872465 YFGWUVVBQNRHLA-UHFFFAOYSA-N 420.440 5.257 0 1 HKAF CCCCc1ccc(-n2c(O)cc(-c3cccc(F)c3)c2O)c(Br)c1 587937935 WSIRPXUDJNHGQR-UHFFFAOYSA-N 404.279 5.800 0 1 HKAF Cc1nc(-c2ccccc2Cl)sc1COc1ccc2c(c1)OC[C@@H]2CC(=O)O 653740473 SCUUJKJVSKPVEP-ZDUSSCGKSA-N 415.898 5.302 0 1 HKAF CC(=O)Oc1ccc([C@@]2(c3cc(C)cc(C)c3)NCCc3cc(C)c(F)cc32)cc1 962148771 UVIIXWPUXKMHNL-SANMLTNESA-N 403.497 5.114 0 1 HKAF COc1ccc(C[C@@H]2CCC[C@@]3(C2)c2cc(OC)c(OC)cc2C[C@@H](C)N3C)cc1 962621293 IWQAIKLXHREBST-ZTEVPRNISA-N 409.570 5.217 0 1 HKAF Cc1ccnc([C@@]2(c3ccc(C(C)C)cc3)NCCc3cc(-c4ccccc4)ccc32)c1 962674952 ZLFABGLMFDOGBV-PMERELPUSA-N 418.584 6.618 0 1 HKAF O=C(Nc1ccc(F)c(-c2nc3cc(-c4ccc(F)cc4)cnc3[nH]2)c1)N1CCCC1 1857546327 VDGWUIGKCWWAJG-UHFFFAOYSA-N 419.435 5.198 0 1 HKAF Cc1cccc(-c2nc(CNc3cccc(F)c3)[nH]c2-c2cc3cnccc3s2)n1 1857594752 ZPERNEQHFJSVSR-UHFFFAOYSA-N 415.497 5.808 0 1 HKAF N[C@@H](Cc1ccccc1)c1csc(NC(=O)Nc2ccccc2-c2ccccc2)n1 1857599122 OVJKXJJOVRDFIP-FQEVSTJZSA-N 414.534 5.697 0 1 HKAF Cc1ccc(Nc2nc3cc(Oc4ncnc5c4cnn5C(C)C)ccc3n2C)cc1 1857761261 FUWFHDITZJUANQ-UHFFFAOYSA-N 413.485 5.138 0 1 HKAF CN(Cc1ccc2cc[nH]c2c1)C(=O)CCc1cccc(-c2nc3ccccc3[nH]2)c1 1911571775 WGAFWYGRLHNVLC-UHFFFAOYSA-N 408.505 5.302 0 1 HKAF O=c1c2c(Cl)cccc2n(-c2ccccc2)c2ss/c(=N\c3ccccc3)c12 1911572546 FTFKHBRNDZJLHE-FLFQWRMESA-N 420.946 6.153 0 1 HKAF CC(=O)[C@H](CC=C(C)C)C(C)=CCOc1ccc(CCNC(=O)c2ccccc2)cc1 2356753217 FGXBFPFGWRVMGG-AREMUKBSSA-N 419.565 5.546 0 1 HKAF CC[C@@H](CO)Oc1cc(NC(=O)c2cccc3ccccc23)c2ncn(C(C)C)c2c1 61949019 RVAMKGPSGIVZCQ-SFHVURJKSA-N 417.509 5.172 0 3 HKAF COc1ccc(-c2noc(-c3ccc(C(C)C)cc3)c2C(=O)N[C@@H](C)C(C)C)cc1 774310 PFAXDWLDBBJVLW-KRWDZBQOSA-N 406.526 5.915 0 1 HKAF CCN(CCCN(CC)C(=O)Nc1c(C)cccc1C)C(=O)Nc1c(C)cccc1C 1654351 UTHCTHYEGLEUIM-UHFFFAOYSA-N 424.589 5.718 0 1 HKAF Oc1cc(NCCCN[C@@H]2CCNc3c(Cl)cc(Cl)cc32)nc2ccccc12 13487800 FCPSJCDPYVIQGC-QGZVFWFLSA-N 417.340 5.196 0 1 HKAF Cc1ccnc(Nc2nc3ccc(C(=O)Nc4c(C)cccc4Cl)cc3s2)c1 13536562 OLVGHUJCKGFIHF-UHFFFAOYSA-N 408.914 5.957 0 1 HKAF CC[C@@H](NC(=O)c1c(Cl)c(-c2ccccc2)nc2ccccc12)c1ccccc1 26005372 TWQGEAWDDBNDPV-HXUWFJFHSA-N 400.909 6.436 0 1 HKAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)SC(C)(C)C)[C@@H]3CC[C@H]12 26387361 ZTCPRLTVZUYVAK-BKIXWFFKSA-N 405.648 5.524 0 1 HKAF C[C@@H]1C(=O)c2c(n(O)c3ccc(Cl)cc3c2=O)C[C@H]1c1ccc(Cl)c(Cl)c1 27089104 WZMMANFTFJNFIU-JOYOIKCWSA-N 422.695 5.358 0 1 HKAF O=C1C[C@H](c2ccc(C3CCCCC3)cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 27101395 ASAVWMWIDYCBAF-GOSISDBHSA-N 405.925 6.142 0 1 HKAF C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@]21OC[C@H](c2ccccc2)O1 28524093 XNIUAXSBXHRMHT-DSNGMDLFSA-N 402.469 5.235 0 1 HKAF O=Nc1c(-c2c(O)[nH]c3c(I)cccc23)[nH]c2ccccc12 28710552 ANUAVLXUJWJMIJ-UHFFFAOYSA-N 403.179 5.024 0 1 HKAF COc1cc2oc(-c3cccc(CN(C)Cc4ccccc4)c3)cc(=O)c2cc1OC 28710707 HXKHDYYGFATHQZ-UHFFFAOYSA-N 415.489 5.109 0 1 HKAF Clc1cc(Cl)cc(Nc2nc(NCCCN3CCCC3)nc3ccccc23)c1 28771776 WJMPGVAPAOBZOZ-UHFFFAOYSA-N 416.356 5.578 0 1 HKAF Cc1nc(-c2ccc(F)cc2)ccc1C(=O)Nc1ccc2sc(N(C)C)nc2c1 40410809 SYRJQSWFGNWMMG-UHFFFAOYSA-N 406.486 5.124 0 1 HKAF COc1cccc(O)c1C(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=CCCCC1(C)C 40895593 HWNYSGXGZJXTHU-DBIMOSKASA-N 422.565 6.699 0 1 HKAF CN(C)c1ccc(Cc2cccc(-c3c(O)[nH]c4cc(Cl)ccc4c3=O)c2)cc1 43025751 MFPJKJDIANWXIJ-UHFFFAOYSA-N 404.897 5.211 0 1 HKAF Cc1cc(/C=C2/C(=O)Nc3ccc(F)cc32)c2ccccc(OCCCN(C)C)c1-2 43195355 YMXYPDNRDMMODA-KGENOOAVSA-N 404.485 5.062 0 1 HKAF CCc1ccc(CN2CC[C@@H](CNC(=O)c3cc(-c4cccc(F)c4)cs3)C2)cc1 45202434 UZYXIEKDYANMLH-FQEVSTJZSA-N 422.569 5.369 0 1 HKAF CCCOc1ccc(Oc2ccc(-c3ccc([C@@H](C)NC(=O)OCC)cc3)cc2)cc1 45245885 YCYHYYKMSYCYJJ-LJQANCHMSA-N 419.521 6.742 0 1 HKAF Cc1nc(-c2nc3ccccc3n2Cc2ccccc2)sc1C(=O)N1CCCCC1 66079009 NHQDACUHZFCMNS-UHFFFAOYSA-N 416.550 5.143 0 1 HKAF O=C(c1cc2ccccc2o1)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 71317552 KOXXYVGUCMTBDR-OAQYLSRUSA-N 400.865 6.078 0 1 HKAF O=C(CN(C(=O)c1ccc(Cl)cc1)C1CCCCC1)Nc1cc(F)cc(F)c1 72141122 GYRWLOMLEBDSRS-UHFFFAOYSA-N 406.860 5.032 0 1 HKAF CC1(C)[C@@H]2C[C@@H]1CC=C2CCN1CCC(NC(=O)Nc2ccc3ccccc3c2)CC1 101104768 ZWEFOCKTWYGPJI-WIOPSUGQSA-N 417.597 5.808 0 1 HKAF C[C@]1(C[C@](O)(CNc2cccc3ncccc23)C(F)(F)F)CCCc2ccccc21 101434741 IDXIGNMGABVLIG-PKTZIBPZSA-N 414.471 5.624 0 1 HKAF CCCCn1c(=S)[nH]c2c(c1=N)[C@H](c1ccc(Cl)cc1)C1=C(CCCC1)N2 103164522 PEYONFGOCGQBDB-QGZVFWFLSA-N 400.979 5.864 0 1 HKAF C[C@@]1(O)CC[C@H](c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)C1 139062089 NKMTUVVLEAOPMD-UPCLLVRISA-N 417.534 6.246 0 1 HKAF Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1CCCc2nc(C(F)(F)F)sc21 220871049 PHKKLODJSCAFLC-JTQLQIEISA-N 423.287 5.513 0 1 HKAF c1ccc(CN2[C@H](c3ccccc3)C3=C(NO[C@@H]3c3ccccc3)[C@@H]3CCCC[C@H]32)cc1 254127726 AXWBMVPUDJKFSZ-WPUBFDFZSA-N 422.572 6.333 0 1 HKAF C/C(=C\C[C@@H](C)C(C)C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C 255199990 BJJMHFSVVTWJFH-OKOFMWLPSA-N 414.674 6.526 0 1 HKAF CC(C)(C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 299862222 JKHNMCUZCPAJCU-JIMJEQGWSA-N 412.577 5.864 0 1 HKAF CN(C(=O)c1ccccc1)c1ccc2[nH]c(-c3n[nH]c4cc(Cl)ccc34)cc2n1 299868849 SMKCELMWAYSZAE-UHFFFAOYSA-N 401.857 5.036 0 1 HKAF CC(=O)n1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c2ccccc21 586987744 RXQVZPPEBCPVSN-UHFFFAOYSA-N 404.425 5.434 0 1 HKAF Cc1nc(-c2ccccc2)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586994631 ZWGQVVRUXRXNNF-UHFFFAOYSA-N 420.493 6.251 0 1 HKAF Cc1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cc1Br 586995783 OTGSGAOMIPBESD-UHFFFAOYSA-N 409.125 5.051 0 1 HKAF CCCn1cnc2cc(-c3nc4cccc(C(C)(C)C)c4[nH]3)cc(Br)c21 587004303 RBZZKYAAUWJISL-UHFFFAOYSA-N 411.347 6.050 0 1 HKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587069973 NHZCVWCTJWCESP-SECBINFHSA-N 401.215 6.265 0 1 HKAF COc1cc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Cl 587072859 YLTFDLRNVDDXEG-QFTHKXHQSA-N 421.755 6.898 0 1 HKAF Cc1cnc(Cl)c2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc12 587082227 JMJVZVDBNDYOJF-UHFFFAOYSA-N 405.288 6.455 0 1 HKAF Cc1nc(-c2cccc(F)c2)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103963 OWJCGQKNJPGEJY-UHFFFAOYSA-N 422.484 6.684 0 1 HKAF COC(=O)c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1OC 587126356 YLEPLKBUUVHDSO-BJMVGYQFSA-N 408.401 5.140 0 1 HKAF Fc1cc(CCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc(F)c1F 587138361 JMRVGRDLURLXAZ-UHFFFAOYSA-N 423.154 5.547 0 1 HKAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(C)cc(C)c4[nH]3)cc2)cc1F 587147242 HZKRTDHBKALNJP-UHFFFAOYSA-N 401.485 5.326 0 1 HKAF COc1cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1F 587158179 GPJDHYBKELIJMR-HXUWFJFHSA-N 400.812 5.672 0 1 HKAF O=C(O)Cc1c(-c2cccc3ccccc23)nc2cccc3c2c1-c1ccccc1C3=O 587205938 DUFCEAHTUKKHAI-UHFFFAOYSA-N 415.448 5.894 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1Cc1c2nc2cccc3c2c1CC3 587216316 ZWZGWOUPROEEMP-QTIMWKSYSA-N 401.594 5.751 0 1 HKAF O=C1Oc2ccccc2C(=O)[C@@H]1[C@H](Cc1cc2c3c(cccc3n1)CC2)c1ccccc1 587217725 YPWKJZXSBKRCSN-GJZUVCINSA-N 419.480 5.078 0 1 HKAF Nc1ccc2oc(-c3nc4c(Br)ccc(Br)c4[nH]3)cc2c1 587251530 IJSUGGNCUAZPAM-UHFFFAOYSA-N 407.065 5.083 0 1 HKAF Cc1ccc(C(C)C)c(OCc2ccc(C(=O)c3coc4ccc(Cl)cc34)o2)c1 587278776 TYKBEJMJIJYOSU-UHFFFAOYSA-N 408.881 6.921 0 1 HKAF CC[C@@]1(C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326747 CSNYQGVURPXZQL-NVXWUHKLSA-N 404.306 5.237 0 1 HKAF Cc1cc2c(cc1Cl)[C@@]1(C=CO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327618 HGABMRVOGRJQIP-LADGPHEKSA-N 422.839 5.654 0 1 HKAF C[C@]1(CCc2c(F)cccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330252 GKOXFVYHDQHJTK-ISKFKSNPSA-N 412.407 5.560 0 1 HKAF C[C@@]1(c2ccc(O)c3ncccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344860 HMLTYYDBAOLCQO-RDGATRHJSA-N 415.420 5.059 0 1 HKAF Cc1cccc2c3c([nH]c12)[C@@]1(CC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349746 VOOASBFWLOOYLN-GJZUVCINSA-N 413.448 5.522 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCc3ccc4ccccc4c32)[C@H]1c1ccc(F)cc1 587355148 TWEFSUKIQYZPAI-AHKZPQOWSA-N 410.444 5.885 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)(c1ccc(Cl)c(Cl)c1)O2 587377296 VXQHSLGYNSQOEF-HSZRJFAPSA-N 412.316 5.987 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2ccc(C(C)(C)C)cc21 587407801 LBKBLKJPHMOGGZ-HHHXNRCGSA-N 411.501 5.328 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(O)[nH]c3cc(Br)ccc13)CC2=O 587459291 NSSFDVIPAIAXGH-QGZVFWFLSA-N 416.271 5.001 0 1 HKAF O=C1C[C@H](c2ccc(OCc3ccccc3F)cc2)Oc2c1ccc1c2CCCC1 587502182 IIANZCOSMWWKAV-RUZDIDTESA-N 402.465 5.990 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccccc1 587527126 WCTREKNMBOYSPN-SANMLTNESA-N 414.501 5.860 0 1 HKAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(F)(F)F)c1 587543944 CWJAHSVWXXZNMM-WIYYLYMNSA-N 416.351 5.123 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c2ccccc2c1O 587555027 ZCKFIMAAIFVXRY-HYBUGGRVSA-N 418.832 5.607 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cccc1OC(F)F 587557511 SFNHGFMXHFPGOO-XLIONFOSSA-N 418.779 5.350 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccc(F)cc2)n1 587568101 CSNHPYVPVRKXNL-DENIHFKCSA-N 419.433 5.358 0 1 HKAF Cc1cccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587602869 LNGHUABXVZNHNR-RPLLCQBOSA-N 408.453 5.606 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)Cc1ccccc1-2 587603636 QKECKVOPERXUIW-IGKIAQTJSA-N 406.437 5.666 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C(\Cl)c2ccc(Cl)cc2)N1 587696753 DZJFQKXMZMVZLG-AOEWMLPFSA-N 415.133 6.097 0 1 HKAF CC[C@]1(c2cc(F)c(F)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587718072 MKXUADQCKXEHJU-LZVRBXCZSA-N 402.229 5.193 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccs3)cc2F)N1 587725719 RTQSKKPBQLUPNM-BIBXISHDSA-N 420.322 6.079 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccccn2)N1 587770427 JMRBUMOHTAJAEV-NYHFZMIOSA-N 411.318 5.004 0 1 HKAF CCC[C@@H](CC1(c2nc3ccc(CO)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781454 JZJCNGMWWYQRPR-NRFANRHFSA-N 420.553 5.417 0 1 HKAF CCC[C@@H](CC1(c2nc3c(C)nccc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782011 OTUWYZAHBWTPJT-FQEVSTJZSA-N 405.542 5.628 0 1 HKAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587782466 LCKQTWKQQQTVBG-UHFFFAOYSA-N 422.484 6.094 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(Cl)cccc3s2)N1 587859605 XOOHJMPCIZFTDB-NIVTXAMTSA-N 410.739 6.080 0 1 HKAF COC(=O)CC1=Nc2ccccc2NC(SCc2cccc(C(F)(F)F)c2)=C1 618016753 WETADICGQZAJOC-UHFFFAOYSA-N 406.429 5.541 0 1 HKAF CCCOc1cccc([C@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 653665769 NWRZKFOSOJKRHM-HNNXBMFYSA-N 404.539 6.024 0 1 HKAF C[C@@H]1CC[C@H]2C=C3CC[C@H](CCCCCCCCCCCC(=O)O)N3[B-](F)(F)N21 914431427 NPOWJWDCKUAFLV-AABGKKOBSA-N 411.366 5.952 0 1 HKAF Cc1ccccc1[C@]1([C@@H]2CCC[C@H](C)C2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963229746 PXTXHPJYHDIUCS-UQJVOQCYSA-N 414.549 5.212 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cc2cc(C(F)(F)F)ccc2s1 963635404 MNKZKYHZAYZYLG-YBTHPKLGSA-N 407.457 5.561 0 1 HKAF COc1cc(OC(F)(F)F)ccc1-c1cccc([C@@H](CC(=O)O)c2nccs2)c1 1772570027 GAPHMWSPEODBJK-MRXNPFEDSA-N 423.412 5.324 0 1 HKAF COc1cc2ncnc(Nc3cc(-c4ccccc4)n(-c4ccccc4)n3)c2cc1OC 1772582524 RPCSWMNAMGPZSE-UHFFFAOYSA-N 423.476 5.243 0 1 HKAF COc1cc(N[C@H](C)CCCNC(=O)Nc2cccc(Cl)c2)c2ncccc2c1 1772600371 BDJLSDYAAHWPAU-OAHLLOKOSA-N 412.921 5.299 0 1 HKAF CCCc1[nH]nc2c1[C@H](c1ccc(Cl)cc1)c1c(nc3c(c1N)CCCCC3)O2 1772603536 SZVMTJHSBMKBJJ-SFHVURJKSA-N 408.933 5.548 0 1 HKAF CN1CCCc2cc(NC(=O)C=Cc3ccc(-c4ccc(F)cc4F)o3)ccc2C1 1857601306 XSFWRAQVKNCVAQ-UHFFFAOYSA-N 408.448 5.255 0 1 HKAF Cc1cccc(NC(=O)Nc2ccc(Nc3ncnc4c3Cc3ccccc3N4)cc2)c1 1857633306 KTZOWDABFRSVSC-UHFFFAOYSA-N 422.492 5.820 0 1 HKAF CC(C)[C@@H](C)C[C@@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356346716 XGIZPVUTLMXXTK-VTMWHTJLSA-N 416.690 6.894 0 1 HKAF C[C@H](CCCO)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@]35CC[C@]12C 2356460175 LPOODSGXYAZRMM-MMICYTDFSA-N 400.647 6.403 0 1 HKAF CC(C)=CCCC(C)=CCC[C@]1(C)Oc2c(C=O)c(C)c(Cl)c(O)c2C[C@H]1O 2356524513 HOTIAVDHASTISG-XXBNENTESA-N 406.950 5.694 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]1CC[C@@H]1[C@]3(C)CC[C@H](O)CC3=CC[C@]12C)C(C)C 2356715819 SJBCPIPTNBLBFY-BYLSGKDJSA-N 414.718 8.025 0 1 HKAF CC[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@]4(C)C5=C([C@@H](O)C[C@H]4[C@@]3(C)CC[C@H]12)[C@@H](C)OC5=O 2356803371 XANPHTDZKAXPCO-WSHVGQENSA-N 414.630 6.048 0 1 HKAF Cc1cc(O)c(C)c2c1Oc1c(COCCc3ccccc3)c(O)cc(C)c1C(=O)O2 2356838990 MFCPLWXSKQXJMR-UHFFFAOYSA-N 420.461 5.107 0 1 HKAF CN(Cc1ccc(Cl)cc1)[C@H](C(=O)NC1CCCCC1)c1cc2ccccc2o1 72136113 HCTHAGOUHYDQPW-QHCPKHFHSA-N 410.945 5.708 0 3 HKAF CCNc1cc2sc3c(Nc4cccc(Br)c4)ncnc3c2cc1F 3815167 JQKNNKZQNBHDRC-UHFFFAOYSA-N 417.307 5.922 0 1 HKAF CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(-c2cccc(F)c2)n1 3833972 WUSBLDMZPYBKMT-UHFFFAOYSA-N 421.303 6.260 0 1 HKAF Cc1c(C(=O)N(C)Cc2ccc(Cl)cc2)nc2ccccc2c1-c1ccccc1 13765055 HKZWJVCBVZSLQM-UHFFFAOYSA-N 400.909 6.136 0 1 HKAF Cc1cc2c(cc1Cc1ccc(C(=O)NCc3ccccc3)o1)C(C)(C)CCC2(C)C 13860615 QJUNWYJDMYHWJD-UHFFFAOYSA-N 415.577 6.458 0 1 HKAF CC(=O)c1ccc(CCCCCOc2c(Cl)cc(C3=NCCO3)cc2Cl)o1 27422672 UBBGIDOLWLYDDR-UHFFFAOYSA-N 410.297 5.358 0 1 HKAF C[C@@H](Oc1ccc(-c2ccc(Oc3cnc4ccc(Cl)cc4n3)cc2)cc1)C(=O)O 29475237 YJJRBYVKYCBTCT-CQSZACIVSA-N 420.852 5.594 0 1 HKAF CCCCCC[C@]1(C)C[C@@H](NC(=O)CN(CC)CC)c2c(C)c(O)c(C)c(C)c2O1 34296958 FAGPYXZHCVGSPV-CJFMBICVSA-N 418.622 5.328 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CCN[C@@]2(C)C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 40525760 KOIBTUBCPWGUOH-FXEJYFCXSA-N 415.706 6.731 0 1 HKAF CC(C)(C)OC(=O)/C=C/c1ccc2[nH]c3cc(-c4ccccc4)c4c(c3c2c1)C(=O)NC4 40640532 BFPPGKFFHBARDL-ZRDIBKRKSA-N 424.500 5.586 0 1 HKAF CCCCOC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1Br 40894384 LOSCXUOYTQBOHA-UHFFFAOYSA-N 410.695 5.312 0 1 HKAF CCCCN(CCCC)CCCCCCCCOc1ccc(CN(CC)CC)cc1 49048237 GQSQPANAQOTVRE-UHFFFAOYSA-N 418.710 7.150 0 1 HKAF O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1noc2ccc(-c3ccccc3)cc12 70725260 IKGQVQPBHGCYQO-UHFFFAOYSA-N 412.424 5.131 0 1 HKAF CCCOC[C@H]1Cc2c(n(Cc3ccccc3)c3ccccc23)[C@@H]2CCCC(=O)N21 73280559 RPKPFBATSDEBPQ-YKSBVNFPSA-N 402.538 5.095 0 1 HKAF O=c1[nH]c2cc(-c3ccc4ccccc4c3)ccc2c2[nH]c(-c3ccccc3Cl)nc12 96270718 JOJCAIVXGLEAHI-UHFFFAOYSA-N 421.887 6.545 0 1 HKAF COc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3cc4c(cc32)OCO4)c1OC 103667306 UWQULSIWSJIVDX-OAQYLSRUSA-N 407.466 5.283 0 1 HKAF Cc1cccc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc(C)c(C)o2)c1 105196644 DUGTYSSATNEJPV-FYXRHKGBSA-N 416.569 6.206 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O 118914607 HHVQPBXBALLUDF-BXYNVXOPSA-N 418.662 5.618 0 1 HKAF endogenous,in-man O=c1ccc2c(OCCCCOc3cccc(C(F)(F)F)c3)c3ccoc3cc2o1 138024340 YZVCBKZRRWIZKP-UHFFFAOYSA-N 418.367 5.796 0 1 HKAF c1ccc(CN2[C@H](c3ccccc3)C3=C(NO[C@@H]3c3ccco3)[C@@H]3CCCC[C@H]32)cc1 169356709 DGPSOURKQBTBED-IKAXQFJBSA-N 412.533 5.926 0 1 HKAF CCCCCC/N=c1\ccn(-c2ccccc2)c2c(-c3ccccc3)cc(OC)cc12 169713680 GZODPIUSPYJDEQ-ORIPQNMZSA-N 410.561 6.787 0 1 HKAF Nc1cnc(-c2ccc(C3CCC3)c(Oc3nccc(-c4ccccc4)n3)c2F)cn1 212165502 MIPPOPYKZUOHPD-UHFFFAOYSA-N 413.456 5.382 0 1 HKAF COc1cc2c(c(C)c1-c1c(C)cc(OC)c3c(OC)cccc13)C(C)=N[C@H](C)C2 238785175 OZTUUTKWRGIPDM-OAHLLOKOSA-N 403.522 5.903 0 1 HKAF c1ccc(C2=NO[C@H](c3ccc(OCc4csc(-c5ccccc5)n4)cc3)C2)cc1 299852185 OPNCECIYRCTISW-DEOSSOPVSA-N 412.514 6.255 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](OC(=O)CCc3ccc(O)cc3)CCC[C@@]21C 299860313 JARYQZBMLAYQQI-RWDSZGCBSA-N 414.630 6.915 0 1 HKAF CC1(C)COc2c(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)cccc21 586912017 OGTYHEVPEDCYBB-UHFFFAOYSA-N 411.221 5.681 0 1 HKAF COC(=O)c1cc(Cl)ccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986771 UQGNVKAIBZFECK-UHFFFAOYSA-N 415.832 5.259 0 1 HKAF C[C@H]1C[C@@H](C)CN([C@H]2CCCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)C1 586988908 ZLLDOIWXFDKUMM-MRUHUIDDSA-N 412.533 5.507 0 1 HKAF COC(=O)c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 586999169 XNHQZEQCBRNNGF-FLIBITNWSA-N 423.266 5.542 0 1 HKAF Fc1cnc(Cl)c2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc12 587012428 YARXCGVXMCRYDT-UHFFFAOYSA-N 415.902 6.517 0 1 HKAF Cc1c(F)ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 587016640 AJSFYFDNLIKQPH-UHFFFAOYSA-N 408.321 5.549 0 1 HKAF Clc1cnc(Cl)c2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc12 587041547 XHTJEMBRYIGKDB-UHFFFAOYSA-N 413.333 6.110 0 1 HKAF O=C(Nc1ccccc1Cl)c1nc2cc(-c3nc4ccccc4s3)ccc2[nH]1 587060475 NDFJQZNRAAJYIX-UHFFFAOYSA-N 404.882 5.745 0 1 HKAF Cc1ccc2c3c(cc(CCc4ccc(OC[C@@H]5CO5)cc4)nc13)-c1ccccc1C2=O 587101764 PXEMIVXJVADQCJ-OAQYLSRUSA-N 421.496 5.317 0 1 HKAF Cc1c(-c2ccc(F)c(Br)c2)nc2cccc3c2c1-c1ccccc1C3=O 587103646 MKRMVRDRYJXBAF-UHFFFAOYSA-N 418.265 6.323 0 1 HKAF COc1cc(OC)c2[nH]c(-c3cc4cc(OC(F)(F)F)ccc4nc3C)nc2c1 587122586 UZTHMICMPVCQOH-UHFFFAOYSA-N 403.360 5.002 0 1 HKAF COc1c(F)cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1F 587134771 MRZXMOVXNMWKKU-UHFFFAOYSA-N 407.136 5.298 0 1 HKAF Fc1ccc(/C=C(/c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c2cccs2)cc1 587164110 ODGQSYWLJKMBSK-RIYZIHGNSA-N 422.834 7.025 0 1 HKAF C[C@@]1(CCc2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329680 FFPKNVTYRYWVTD-UPVQGACJSA-N 412.407 5.560 0 1 HKAF COc1cccc(-c2cc([C@H]3C[C@H]3c3ccccc3C)nc3c2oc2ccccc23)c1 587364466 ANICXLASCLSQQD-ZEQRLZLVSA-N 405.497 7.236 0 1 HKAF CCCCCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CCCC 587365104 HTSUSKFKVUBHFA-UHFFFAOYSA-N 401.550 7.732 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(Br)cc3)cc1)O2 587372053 NVGRHDULEZIVRS-OAQYLSRUSA-N 408.295 5.713 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(-c3cccc(Br)c3)n1)O2 587415127 XKPJOJBWIJIUKQ-KRWDZBQOSA-N 415.312 5.170 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(O)cc1)(c1ccc(Cl)cc1)CC2=O 587458708 BPVCLKOYVFGGOW-DEOSSOPVSA-N 408.881 5.613 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)cc(OC(C)=O)cc1Cl)CC2=O 587460756 PAFITJGQPGUWMP-GOSISDBHSA-N 409.265 5.283 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Oc3cc(F)ccc3F)cc1)CC2=O 587468993 ZMWXSTNIQGMQIF-RUZDIDTESA-N 424.443 6.296 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H]([C@H](c1ccccc1)c1cc(C)ccc1C)CC2=O 587491338 WZACQSXWJRBBRM-CLJLJLNGSA-N 400.518 6.127 0 1 HKAF COc1cc(Br)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 587496847 AACZUURLIFXZDF-IBGZPJMESA-N 417.299 5.052 0 1 HKAF C[C@]1(Cc2ccc(Br)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587505384 MOQPYCYJDPVCIR-NRFANRHFSA-N 403.291 5.434 0 1 HKAF O=C1C[C@@](c2cccc(F)c2)(c2cccc(Cl)c2)Oc2c1ccc1c2CCCC1 587507300 VSABEFZDBHFFOE-VWLOTQADSA-N 406.884 6.267 0 1 HKAF O=C1C[C@H](c2cc(Cl)cc(Cl)c2OC(F)F)Oc2c1ccc1c2CCCC1 587510071 YMHAYKGVWRSJFV-QGZVFWFLSA-N 413.247 6.180 0 1 HKAF O=C(NC1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3)OCc1ccccc1 587512722 ORSLDTMJRQKUGP-UHFFFAOYSA-N 419.521 5.138 0 1 HKAF Cc1ccc(-c2cc3ccccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587518515 KBSJIYKGLLTXRD-HHHXNRCGSA-N 421.540 6.808 0 1 HKAF CCCN1CCCc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587597019 UAXRSXOSUSIKEC-JYFHCDHNSA-N 415.489 5.258 0 1 HKAF C[C@@H]1C[C@H](c2ccccc2)C[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604135 ROLADEAPQTZMSV-QWICHBSHSA-N 400.474 5.696 0 1 HKAF C[C@@]1(CSc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607385 MESKXKFDBKFRNJ-UGKGYDQZSA-N 412.894 5.558 0 1 HKAF Cc1cc(Br)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587683822 XLPWAWNQVPTMSS-BMLIUANNSA-N 413.128 5.283 0 1 HKAF CC[C@@]1(c2c(Cl)cccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587693346 NGBLMKGFPAJGSX-XTZNXHDOSA-N 417.149 6.083 0 1 HKAF COc1ccc(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587700554 ZGDODFMVFGBCAY-NSPYISDASA-N 412.730 5.242 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)N1 587716410 ZYGIWNRIRQLIDS-VPTHRUTESA-N 422.647 5.884 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2cccnc2)N1 587779761 VSUFCEQMJRGEGR-YEJXKQKISA-N 413.290 5.399 0 1 HKAF COc1ccc2cc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 587809051 PNSMFVZWOKEPCG-MCMMXHMISA-N 414.318 5.548 0 1 HKAF Cc1ccc(C[C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587813513 OEOKZZBLQUQSOZ-XDHUDOTRSA-N 424.357 5.917 0 1 HKAF CC[C@]1(C23CC4CC(CC(C4)C2)C3)N[C@@H](C)Cc2cc(Br)c(F)cc21 587816025 SLSQFTFSUDBTPS-OXLVUPRKSA-N 406.383 5.944 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1COc1ccccc12 587835135 NQKNQOPSBDGQAG-LFVRLGFBSA-N 424.313 5.307 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cl)c(Cl)c1 587861491 RILAQBFHSVXBJS-UHFFFAOYSA-N 415.198 5.573 0 1 HKAF Cc1cc(Br)cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587949896 MJSMFBPXTBCCPP-QXMHVHEDSA-N 405.295 6.597 0 1 HKAF C[C@@]1(c2cc3cc(F)ccc3o2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962647993 VYVSLIBSBKWFKX-HOFKKMOUSA-N 412.508 5.582 0 1 HKAF Cc1cccc2c([C@@H]3c4ccsc4CCN3Cc3cccnc3)c(C(C)(C)C)[nH]c12 963000014 TWNBOESAHBLLSO-DEOSSOPVSA-N 415.606 6.378 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cccn1-c1ccc(Cl)cc1Cl 963603192 BHPDKRIKHLAGCJ-WHEQGISXSA-N 417.336 5.425 0 1 HKAF COc1cc(OC)cc(-c2c(O)ccc3c2CC[C@@H]2[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]23)c1 1772616547 RYRFGUUXLFUYDS-UYDMNARISA-N 406.522 5.502 0 1 HKAF Fc1ccc(CC[C@@H]2CN(Cc3c[nH]c4cc(Cl)ccc34)CCC2(F)F)cc1 1772629520 WZQBDVCZJDNCES-QGZVFWFLSA-N 406.879 6.050 0 1 HKAF CC=C(CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356412761 AMBIHAYAXSFGSZ-LQOXIJNNSA-N 412.702 7.945 0 1 HKAF CSCC[C@H](C(=O)Nc1c(C)cccc1C)N1CCC(Cc2ccccc2)CC1 72137820 BETLHJFAJFDSHE-HSZRJFAPSA-N 410.627 5.318 0 3 HKAF Cc1cc(Nc2cc(Cl)cc(Cl)c2)cc(=O)n1-c1cc(Cl)cc(Cl)c1 199264925 DGBDDFYANGQMLN-UHFFFAOYSA-N 414.119 6.503 0 3 HKAF COc1ccccc1-c1ncn(Cc2cccc(-c3ccccc3)c2)c1-c1ccccn1 199393020 SQTUMTLCSBHPHS-UHFFFAOYSA-N 417.512 6.336 0 3 HKAF CSc1nc2ccccc2n1C1CCN(CCCC(=O)c2ccc(F)cc2)CC1 2001701 BVGPDNRHQWKRSI-UHFFFAOYSA-N 411.546 5.197 0 1 HKAF C[C@H]1CCC[C@H](Nc2nc(-c3ccc(Br)cc3)nc3ccccc23)[C@@H]1C 2452338 LRICNPFRWRGABL-KHYOSLBOSA-N 410.359 6.296 0 1 HKAF CCCCc1c2c(nc3c1CCC/C3=C\c1ccccc1)C(=O)[C@H](CN(C)C)CC2 5784764 FXNOBZXJWIVQAE-NUTRWHQKSA-N 402.582 5.608 0 1 HKAF C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4ccc(Cl)cc4)cn3)[C@H]12 13673158 APCDHORXRPILDB-NWLSSWCYSA-N 421.968 6.419 0 1 HKAF CC(C)C(=O)OCC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)O)O2 15165024 FSZPCPVUWXSHEO-IBURTVSXSA-N 406.563 5.131 0 1 HKAF biogenic COc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc(Cl)cc2)cc1 27198412 MTXJOAKELUMTJA-DNQXCXABSA-N 405.925 6.076 0 1 HKAF CC(C)CC(=O)Nc1nc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2s1 28464772 UQBFWUGWJZICBC-UHFFFAOYSA-N 422.337 5.840 0 1 HKAF CC[C@@]1(CCCCN2CC=C(c3ccc(Cl)cc3)CC2)C(=O)Nc2ccccc21 29054847 BEVYRGDFSYRITQ-VWLOTQADSA-N 408.973 5.900 0 1 HKAF CCCCNC(=O)c1ccc2c(c1)N=C(c1ccc(Cl)cc1)c1ccccc1S2 34946197 MTEFLXYKMHWTNG-UHFFFAOYSA-N 420.965 6.504 0 1 HKAF C[C@H]1CC[C@@]2(NC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 38140508 KWVISVAMQJWJSZ-YVOQUZMQSA-N 413.646 5.287 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(CCO)cc2)C(C)(C)CCC1 40848204 QGDCEVRAXKKNGL-OHEFLVKWSA-N 419.609 6.692 0 1 HKAF O=C(CC12CC3CC(CC(C3)C1)C2)NCCCNc1ccnc2cc(Cl)ccc12 40875332 IRPVLZMHYYLMLP-UHFFFAOYSA-N 411.977 5.413 0 1 HKAF O=C(O)c1cc(F)ccc1Nc1ccc(CCCc2ccc(Cl)c(Cl)c2)cc1 40933673 BTSAISODAZLPQP-UHFFFAOYSA-N 418.295 6.750 0 1 HKAF Cc1cccc(-c2nc(N3CCCCC3)ncc2C(=O)NCc2ccccc2Cl)c1 82146645 YNTGCVNQOQMVOO-UHFFFAOYSA-N 420.944 5.026 0 1 HKAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NC3CCCC3)nc2-c2ccc(F)cc2)C1 82214937 DACUOGHOLBNXMW-IRXDYDNUSA-N 410.537 5.288 0 1 HKAF O=C(NCCC(c1ccccc1)c1ccccc1)Nc1cccc(-c2ccccc2)c1 95605323 KMQJVXCGILREEY-UHFFFAOYSA-N 406.529 6.697 0 1 HKAF Oc1ccc2c(c1)CCc1ccc(O)c(c1)-c1cc(ccc1O)/C=C\c1ccc-2cc1O 95912462 PZJBYZRJSKDIJO-KTAJNNJTSA-N 422.480 6.112 0 1 HKAF biogenic,in-vitro CCCCN(C(C)=O)[S@@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1 102790089 UMHMYZVMDLPJGK-NDEPHWFRSA-N 421.950 5.271 0 1 HKAF COc1ccc(-c2[nH]c3ncc(Cl)cc3c2-c2cccc(CNC(C)=O)c2)cc1 103273753 BMJSEYJIDYDZSX-UHFFFAOYSA-N 405.885 5.195 0 1 HKAF COc1c([C@@H]2CN(C)Cc3cc(-c4ccc(C)nn4)ccc32)ccc2sccc12 149743888 TWKWOGUGCQDBEG-OAQYLSRUSA-N 401.535 5.253 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 255264445 SGNBVLSWZMBQTH-UDYKRWBFSA-N 400.691 7.635 0 1 HKAF Cc1ccc(-c2ccc(CNCCCNc3ccnc4cc(Cl)ccc34)s2)cc1 299863365 LAYQUKADSDZAGU-UHFFFAOYSA-N 421.997 6.517 0 1 HKAF Cc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1Br 587005372 GCNIEPOCPPKUMS-UHFFFAOYSA-N 401.489 5.112 0 1 HKAF COc1ccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2n1 587018459 CIXWIEGBQXPZBW-UHFFFAOYSA-N 419.337 5.723 0 1 HKAF FC(F)(F)c1cc(Br)cc2nc(-c3ncsc3-c3ccccc3)[nH]c12 587028673 ZTHCGUPMHXHUOA-UHFFFAOYSA-N 424.245 6.135 0 1 HKAF Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 587050685 QPVXLBVXWYLOTP-NKWVEPMBSA-N 417.521 5.952 0 1 HKAF COc1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2cc1OC 587071473 NBRRBSYIHUMDAH-UHFFFAOYSA-N 400.265 5.616 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(Br)cc(F)c2[nH]1 587075961 PEELPUQTOLNTCA-UHFFFAOYSA-N 405.658 5.279 0 1 HKAF Cc1ccc(-c2cc(-c3nc4ccc(OC(C)C)cc4[nH]3)c3cccc(Cl)c3n2)o1 587083469 VXXJUHDUQQAEKI-UHFFFAOYSA-N 417.896 6.787 0 1 HKAF COc1cc(-c2nc3ccc(Cl)c(C)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143519 HBEBPMDPAAOAJQ-UHFFFAOYSA-N 410.832 5.705 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CC=C(c3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 587356203 ZHYKCRSZZHUHEE-AOYPEHQESA-N 400.449 5.897 0 1 HKAF CCOC(=O)[C@H]1c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C[C@H]1C 587362621 KWULEVRBWNCRQM-JLTOFOAXSA-N 401.462 5.496 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(C)cc(C)c2CC3)c1 587366228 KECZLERWKVNLHC-UHFFFAOYSA-N 405.497 7.039 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2cccs2)(C2CCCC2)[C@H]1c1ccc(F)cc1 587378896 WTNIPJRJRGGYJT-UPVQGACJSA-N 408.494 6.037 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc(C)cc1Cl)CC2=O 587462836 RFBAHZWLIKLXBV-JOCHJYFZSA-N 401.890 5.059 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](C(Cc1ccccc1)Cc1ccccc1)CC2=O 587490670 TVQUYDUCJOMQRQ-SANMLTNESA-N 400.518 5.780 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2Sc2ccc(Cl)cc21 587496859 ADIJGOMUVMCLKB-DEOSSOPVSA-N 422.933 6.372 0 1 HKAF Cc1ccc([C@@]2(C(=O)c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587521816 GLJULQHYHABRQD-MUUNZHRXSA-N 410.513 5.926 0 1 HKAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(C)c1OCc1ccccc1 587527492 XFGXQERNLRPDTE-SANMLTNESA-N 412.529 6.468 0 1 HKAF O=C(O)c1ccoc1COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533290 PETQMTXPENHLPT-QFIPXVFZSA-N 418.445 5.142 0 1 HKAF C[C@]1(c2c[nH]c3ccc(Cl)cc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552309 PYFBFTPQHSUYSZ-NFBKMPQASA-N 405.837 5.404 0 1 HKAF CC(C)(O)CCCC1=CC[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587612410 UYSVOSKXDCJWBS-FKRCVWNDSA-N 422.521 5.390 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)N[C@H](C)c1ccccc1 587625166 ASQVMPTXDIZPNC-SNVBAGLBSA-N 414.349 6.005 0 1 HKAF C/C(=C\c1cc(Cl)ccc1O)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587704450 UMSCKQGIVSEIQS-CTAMQENRSA-N 410.714 5.626 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)cc2OC(F)F)N1 587715347 HMUQDZCJDFALMO-YYSFKGJASA-N 418.228 5.126 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OC(F)(F)F)N1 587715622 CFUDJFAPHFUYSM-FVMDXXJSSA-N 404.201 5.110 0 1 HKAF CCOc1ccc(OCC)c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 587778026 HOUBMHSUHQQBQY-UHFFFAOYSA-N 401.335 5.076 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(S(=O)(=O)CC)cc3[nH]2)c1 587779714 FBZQSWKVKSIQPY-UHFFFAOYSA-N 406.507 5.089 0 1 HKAF Cc1ccc(-c2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 587816079 TYAAOHUFJAZBSM-FYSMJZIKSA-N 424.357 6.361 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@](C)(c3ccccc3)CC2)N1 587819851 WVQPQMZUQQPALB-YDFBLROQSA-N 400.335 5.626 0 1 HKAF COc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 587827505 JTRFFJUVKOTTGE-LAJNKCICSA-N 416.290 5.480 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccccc1C=Cc1ccccc12 587831887 YBHOTQZJQDZXOM-HNNXBMFYSA-N 420.325 5.898 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SC3CCCC3)cc2)N1 587841385 AVBZBHWPWQCPQM-YEJXKQKISA-N 420.391 6.247 0 1 HKAF Cc1nc(-c2ccncc2)sc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587853699 QZXGHWUCFCHPPO-BMLIUANNSA-N 418.335 5.039 0 1 HKAF Cc1ccc(-c2csc([C@H]3CN(C(=O)OCc4ccccc4)CCO3)n2)cc1C 587920376 IWDXYYVRQPDZHA-OAQYLSRUSA-N 408.523 5.137 0 1 HKAF O=C(N[C@H](Cc1ccccc1)C(=O)O)c1coc(-c2ccc(-c3ccccc3)cc2)c1 621430241 PUZZOTJMWQXWJS-HSZRJFAPSA-N 411.457 5.039 0 1 HKAF Fc1ccc2scc(CNCCCCNc3ccnc4cc(Cl)ccc34)c2c1 653708730 IOPQHXDRRHWZAF-UHFFFAOYSA-N 413.949 6.224 0 1 HKAF CCCCCC[C@]1(c2cccc(OC)c2)c2ccsc2CCN1Cc1ccco1 962701058 CSXPJWYJMXHJQE-VWLOTQADSA-N 409.595 6.622 0 1 HKAF CCOC(=O)CCCCC[C@@]1(C(C)(C)C)c2ccsc2CCN1Cc1ccco1 962711488 SYLFLQKVMBPZMO-DEOSSOPVSA-N 417.615 6.154 0 1 HKAF Cc1cccc([C@]2(c3cnccc3C)c3ccsc3CCN2Cc2cccnc2)c1 962996248 OJXOELPJESGJPM-AREMUKBSSA-N 411.574 5.505 0 1 HKAF COc1ccc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1COCC(F)(F)F 963115454 WYGNIWMDXZQBHP-RXVVDRJESA-N 409.423 5.023 0 1 HKAF Clc1cc(Cl)c2nc(N3CCc4c([nH]c5ccc(Cl)cc45)C3)sc2c1 1857538897 AXIGBMQYVICBSZ-UHFFFAOYSA-N 408.741 6.301 0 1 HKAF O=C(C/C=C/c1cnc2[nH]cc(-c3ccccc3)c2c1)NCCc1c[nH]c2ccccc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c2ncnc(N)c21)CC[C@@]1(C)[C@@H]2CCC=C(C)[C@]2(C)CC[C@H]1C 2356782313 DPSRVOWVSJLMOX-DYCBMTEISA-N 423.649 5.798 0 1 HKAF COc1ccc(-c2noc(-c3ccsc3)c2C(=O)NCCc2ccc(F)cc2)cc1 773959 FSTXFIQJBWUSRC-UHFFFAOYSA-N 422.481 5.190 0 1 HKAF CC1=CCC[C@@H]2[C@@](C)(CC/C(C)=C/Cn3c[n+](C)c4ncnc(N)c43)[C@H](C)CC[C@@]12C 5798563 YCSGSEAQYPDNAQ-FGOPRVDBSA-N 422.641 5.363 0 1 HKAF COc1c(O)c2c(c(OC)c1OC)O[C@](C)(CC[C@@]1(C)CCC=C(C)[C@@H]1C)C=C2 14589323 HPDUVVVFJDKTNM-GHEQTVGYSA-N 402.531 5.745 0 1 HKAF biogenic NCc1c(N)nc(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)cc1Cl 14948362 HCOLDJWQZBLQES-UHFFFAOYSA-N 413.230 5.177 0 1 HKAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NCc3ccc(Cl)cc3)c2)[nH]1 26966575 VHTRWSPDJZQIRM-UHFFFAOYSA-N 424.932 6.265 0 1 HKAF CCCCCNc1nc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2s1 28459872 ASDSHGATQOPTKC-UHFFFAOYSA-N 408.354 6.458 0 1 HKAF CC(C)c1nc2ccc(-c3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 28711936 MGZJKYTZNDZWJI-IBGZPJMESA-N 421.560 5.446 0 1 HKAF O[C@@H](CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccccc1 38474417 IQJRHGHNCFTRIB-MHZLTWQESA-N 415.577 5.148 0 1 HKAF COC(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccc(Sc2ccc(Cl)cc2)cc1 39242765 FCBOEBQVRPMHKT-FQEVSTJZSA-N 419.329 6.438 0 1 HKAF Clc1ccc([C@@H]2CC3(N4CCCC4)CCNC2[C@H](c2ccc(Cl)cc2)C3)cc1 40762677 PDEIXHJAKUQXOA-WOLZVPSQSA-N 415.408 5.851 0 1 HKAF CCc1ccc(NC(=O)c2ccc(CN3CCCN(CCC(C)C)CC3)cc2)cc1 45210355 WVGLRRKXQAEOQE-UHFFFAOYSA-N 407.602 5.055 0 1 HKAF CCN(CC)C(=O)[C@H]1Sc2cc(F)ccc2-c2c1c1ccccc1n2CCF 68208449 QPYIMMXNDOXRLS-NRFANRHFSA-N 400.494 5.432 0 1 HKAF Cc1noc(NC(=O)N2CCC3(CC2)CC(c2ccc(OC(F)(F)F)cc2)C3)c1C 73165491 FSXNNEYNEDICKO-UHFFFAOYSA-N 423.435 5.382 0 1 HKAF CCCCc1ccc(O)c(-c2cc(CCCC)cc(I)c2O)c1 73295338 AMASGBBRHNPOSZ-UHFFFAOYSA-N 424.322 6.055 0 1 HKAF Cc1cnc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccccc2F)o1 82176141 UDBOIIZPCQPRBI-UHFFFAOYSA-N 408.864 5.554 0 1 HKAF CC[C@H](C)Cn1c(C2CC2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 82189945 BZQIIWHCOYBESB-ZDUSSCGKSA-N 418.372 5.711 0 1 HKAF CN(C)c1ccc(-c2cc(=O)c3ccc(OCCCCN4CCCCC4)cc3o2)cc1 103240563 ZCSQHWMSYZNFAX-UHFFFAOYSA-N 420.553 5.171 0 1 HKAF CC/C(=C\C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 153020468 WSQWPVHORPUSOR-CGHNLBQJSA-N 414.718 8.025 0 1 HKAF Oc1ccc2cc1Oc1cccc(c1)/C=C\c1cccc(O)c1-c1cc(ccc1O)CC2 155549692 MYHMNGXWHGHHLM-XFXZXTDPSA-N 422.480 6.532 0 1 HKAF Clc1ccc(C2=Nc3ccccc3N=C(N3CCC(c4ccccc4)CC3)C2)cc1 169324557 REYCAQJGRKPBPV-UHFFFAOYSA-N 413.952 6.774 0 1 HKAF CC1(C)[C@@H](O)CC[C@]2(C)[C@@H]3CC[C@@H]4[C@H]5[C@H](O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 255286572 ZAAKSNJFLXCMKA-RFNPZVBNSA-N 402.663 6.193 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 261496326 HWOOALPDOJHOPO-JOSIGTSNSA-N 402.663 6.648 0 1 HKAF endogenous,in-man FC(F)(F)c1cccc(-c2nc3ccc(Nc4ncnc5ccccc45)cc3[nH]2)c1 299832828 UDKDJKPOQDOIRA-UHFFFAOYSA-N 405.383 5.936 0 1 HKAF O=C(O)c1c(CCCOc2cccc3c2CCCC3)c2cccc3c2n1CCS3 299852705 WOGLKUSZJCJORI-UHFFFAOYSA-N 407.535 5.336 0 1 HKAF Fc1ccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCCO5)o3)cc2)nc1 473160569 YLONNFWZCLQRIS-UHFFFAOYSA-N 421.453 5.001 0 1 HKAF Cc1cc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586878253 AXQYYQUGTQIBBH-UHFFFAOYSA-N 414.358 6.061 0 1 HKAF N[C@H](Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)c1ccc(Br)cc1 586997031 LQBLWXJZPCAVDF-GOSISDBHSA-N 424.367 5.719 0 1 HKAF CC(C)Oc1cc2[nH]c(-c3cc4c(s3)CC[C@@H](C)C4)nc2cc1Br 587032791 AUPWMHIAKDUFIR-LLVKDONJSA-N 405.361 5.966 0 1 HKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587062441 SRJYLXZYDYSEMV-CYBMUJFWSA-N 409.667 5.207 0 1 HKAF Clc1ccc(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)cc1 587068953 GTJKFWWEYPXAMD-UHFFFAOYSA-N 413.702 6.225 0 1 HKAF Fc1c(F)c(F)c2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc2c1F 587070291 GGPLEBBYWRRPKU-UHFFFAOYSA-N 412.173 6.155 0 1 HKAF Cc1cc(Cl)cc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 587071648 MHDPRFTUKINOMY-BCATWTJESA-N 405.756 7.198 0 1 HKAF Cc1ccc2c3c(cc(-c4cccc(N5CCOCC5)c4)nc13)-c1ccccc1C2=O 587096010 BFWCTFMPWBRSEW-UHFFFAOYSA-N 406.485 5.258 0 1 HKAF CC[C@@H]1c2cc(OC)ccc2Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587096532 DTGDXVCHHUEBBL-GOSISDBHSA-N 405.497 6.209 0 1 HKAF CCOC(=O)[C@H](Cc1ccccc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098465 SMNFFAAPDUBEQL-HSZRJFAPSA-N 421.496 5.644 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(C3(F)CCCCC3)[nH]c12 587132062 IKQGJSRLDUHFAS-UHFFFAOYSA-N 405.395 5.963 0 1 HKAF Cc1cc(Br)cc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 587137837 NPINZQKIMCVXNC-UHFFFAOYSA-N 402.036 5.342 0 1 HKAF COc1ccc(C(=O)c2ccccc2-c2nc3ccc(C(C)(C)C)cc3[nH]2)cc1F 587143634 CBWDMGUHCIHFET-UHFFFAOYSA-N 402.469 5.906 0 1 HKAF CC(C)[C@@H](c1nc2cc(Cl)nc(Cl)c2[nH]1)N(C)C(=O)OCc1ccccc1 587197286 CQHSLZOEQXHMLJ-INIZCTEOSA-N 407.301 5.230 0 1 HKAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 587202647 FUWPJUGYEJUEGT-UHFFFAOYSA-N 422.382 5.238 0 1 HKAF CC1CCC(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)CC1 587347762 UXBOKLGFZHDSDO-HOOCXSQJSA-N 423.528 5.304 0 1 HKAF COc1ccc2c(c1)CCCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348026 GDSJYKXEALVBST-AZGAKELHSA-N 418.464 5.521 0 1 HKAF CC1(C)[C@H](c2ccccc2)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587352868 JZCYMWRDUHMHGG-RZPFDVGOSA-N 402.465 5.843 0 1 HKAF CCN(C)c1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 587359758 HKHZRIWBSVNBOT-UHFFFAOYSA-N 408.501 6.780 0 1 HKAF C[C@@]1(CCc2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587378710 WFZSADSOVAFNOI-UNMCSNQZSA-N 416.901 5.997 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1NC(=O)Oc1ccccc1)O2 587387675 RPOJHDZLVWQLQF-DEOSSOPVSA-N 402.450 5.069 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1ccc4ccccc4c1)[C@@H](C2)C3=O 587442772 LQFZVNHACVTAJR-NEKDWFFYSA-N 422.480 5.916 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1c(Cl)c(Cl)cc3c1OCCO3)CC2=O 587460540 HFEJDHLIWFNYEC-NRFANRHFSA-N 423.292 5.303 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3ccc(C(F)(F)F)cc3)c1)CC2=O 587464962 ZXQJMENMDLJFPW-HXUWFJFHSA-N 416.399 5.256 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-c3cccc(C(=O)O)c3)c1)CC2=O 587492865 YWAFQJVQOINZAM-SANMLTNESA-N 416.473 5.591 0 1 HKAF CC(C)(C)OC(=O)n1ccc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587513475 ACOOFKLBTCYDMZ-HSZRJFAPSA-N 417.505 6.010 0 1 HKAF Cc1nc(-c2ccc(C)n2C)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587531411 JYBUVUGRGLYBKS-XMMPIXPASA-N 406.551 5.525 0 1 HKAF CC(C)c1ccc(OCc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587534046 VBPKEJLORZWHFC-SANMLTNESA-N 416.517 6.567 0 1 HKAF CC[C@@]1(c2cc(Cl)ccc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548840 QVACNNOZMSXNOU-OFNKIYASSA-N 410.853 5.321 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)c2cccnc12 587552847 SVNKWMARRDAXAG-WMZHIEFXSA-N 403.821 5.297 0 1 HKAF CC(C)N1CCCc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587592039 HEVJANOBAIRYLX-JYFHCDHNSA-N 415.489 5.256 0 1 HKAF CC[C@]1(c2ccc(OC(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596266 QFRNOHHDBFCVIE-RCZVLFRGSA-N 404.462 5.447 0 1 HKAF CCC[C@H](OC)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587597633 VFNLGXAKUFUAAA-CLLDFNAGSA-N 418.489 5.757 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(Cl)o2)N1 587682761 VFHYRFRGJMUZGH-UANNBLPKSA-N 423.507 5.221 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(C(F)(F)F)c2)N1 587714098 UQQAYRUSDVUBII-ZKANADHPSA-N 406.192 5.370 0 1 HKAF COc1c(F)cc(F)cc1/C=C/[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587720065 MHCVTSBPFOBDGH-NEDJPGJHSA-N 412.249 5.164 0 1 HKAF CC[C@@]1(c2cc(F)c(F)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587721460 VVUXPWDAGOEBNW-LZVRBXCZSA-N 402.229 5.193 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OC(F)(F)F)ccc2F)N1 587723834 YFEULUGCVCGUSE-VPTHRUTESA-N 422.191 5.250 0 1 HKAF Cc1ccnc2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc12 587784644 SZJAAZIZMOGDCF-UHFFFAOYSA-N 405.501 6.103 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1/C=C/[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587813420 CKFVWDXWVKLMIN-SRWKQILOSA-N 406.383 6.276 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(-c2cccs2)nn1 587865214 ZFJNQYFDDVJNLY-UHFFFAOYSA-N 402.401 5.085 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1ccc(OC)c(OC)c1 587865877 NCYLKNHIWVSCQE-UHFFFAOYSA-N 406.404 5.033 0 1 HKAF CC(C)c1ccc([C@@]2(c3ccc(F)c(F)c3)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963117641 XMLDDJDMVJBEDF-YIXXDRMTSA-N 421.506 6.540 0 1 HKAF FC(F)(F)c1ccc(-c2ccc([C@@H]3NCCc4c(Cl)cc(Cl)cc43)cc2)cc1 963126852 XGGUISNPERCFSQ-NRFANRHFSA-N 422.277 6.914 0 1 HKAF O=C1OC[C@H](Cc2ccc(Cl)c(Cl)c2)[C@H]1Cc1ccc(Cl)c(Cl)c1 1772612297 ZOROXJWGIJYEML-QWHCGFSZSA-N 404.120 5.875 0 1 HKAF Cc1ccc2c(c1)C(c1cccnc1)=Nc1c(NCc3ccccc3)ncnc1S2 1772615769 XFTXTRLPPNMHGY-UHFFFAOYSA-N 409.518 5.426 0 1 HKAF COc1cc(N(CC2CC2)c2cccc3ccccc23)ccc1C(=O)[C@H]1C[C@@H]1C(=O)O 1772616121 VDEAONBMFRVCMV-VXKWHMMOSA-N 415.489 5.300 0 1 HKAF COc1ccc(CN2CCCN(Cc3ccccc3)[C@@H](Cc3ccccc3)C2)cc1 1772623812 YZOXHXVVVMMYPW-SANMLTNESA-N 400.566 5.014 0 1 HKAF CCN(CC)C(=O)c1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1 1857567187 RWWPHABIRMUWPS-UHFFFAOYSA-N 403.913 5.804 0 1 HKAF COc1c(O)cc2oc(-c3cc(O)cc(O)c3)cc2c1CC=C(C)CCC=C(C)C 2356455501 WLJKBVCQTOXSPP-UHFFFAOYSA-N 408.494 6.460 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12 2356574523 CMYUBNXMGMQLSC-UHFFFAOYSA-N 422.477 5.518 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C[C@H]1CC3 2356657677 PZDUAWZXRQLIQU-KHXXOFOMSA-N 414.718 8.169 0 1 HKAF CCCC[C@@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356807665 XZSOHMWSWMSLPQ-IWRQUBTOSA-N 402.619 5.581 0 1 HKAF Cc1ccc(Nc2nc(-c3sc(NC(=O)c4ccccc4)nc3C)cs2)cc1 8578394 VGCCRZXXRGZIGD-UHFFFAOYSA-N 406.536 5.879 0 3 HKAF COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCCc1c[nH]c2ccccc12 775791 AWHBORQMVRQFFB-UHFFFAOYSA-N 417.509 5.102 0 1 HKAF CC(=O)[C@]12CCCC[C@@H]1C[C@@H]1[C@@H]3C[C@@H](C)[C@@]4(O)CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 4006750 YYJQALYDDZZWSF-ZDIAZRHOSA-N 400.603 5.335 0 1 HKAF CC(C)=CCC[C@@]1(C)C=Cc2c(cc(O)c3c2O[C@H](c2ccc(O)cc2)CC3=O)O1 13379910 VSBUTPUUSVOZDI-OFVILXPXSA-N 406.478 5.715 0 1 HKAF biogenic O=c1cc(C2CCCCC2)oc2ccc(OCCCCCCN3CCOCC3)cc12 13454458 CWRBRGDSLCSBPC-UHFFFAOYSA-N 413.558 5.112 0 1 HKAF CC(C)=CCC[C@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 13781881 OMKJDABLEGUPIE-KTKIDDBTSA-N 424.713 8.687 0 1 HKAF CC(C)=CCc1cc([C@H]2CC(=O)c3ccc(O)c(CC=C(C)C)c3O2)c(O)cc1O 14780748 LCPLIOQWSCIPTN-XMMPIXPASA-N 408.494 5.527 0 1 HKAF CC(C)=CCc1c(O)ccc([C@@H]2COc3c(ccc(O)c3CC=C(C)C)C2=O)c1O 14780888 XQNULGVMJUJZML-FQEVSTJZSA-N 408.494 5.180 0 1 HKAF biogenic C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1c[nH]c(-c2ccccc2)n1 26995294 JVUNQIZFNNFUQK-MTMMCSAFSA-N 416.609 6.484 0 1 HKAF C[C@H]1C(=O)c2c(n(O)c3ccc(Cl)cc3c2=O)C[C@@H]1c1ccc(Cl)cc1Cl 27091146 ZUZNTCRLGKBFRH-RNCFNFMXSA-N 422.695 5.358 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CCN[C@@]2(C)C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 27996162 KOIBTUBCPWGUOH-YOEDGXQPSA-N 415.706 6.731 0 1 HKAF Cc1ccnn1-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc32)c(Cl)c1 28569995 ZHQUQIJYLAQQRC-UHFFFAOYSA-N 415.884 5.133 0 1 HKAF CCC(=O)Oc1ccc2ccc(=O)oc2c1Cc1c(-c2ccccc2)[nH]c2ccccc12 29062052 QVWHDRSUCZCASJ-UHFFFAOYSA-N 423.468 5.848 0 1 HKAF CCN1CCC[C@H](Nc2nc(Nc3ccc(C(F)(F)F)cc3)c3ccccc3n2)C1 29204074 WRFFHSMBQZLHPD-KRWDZBQOSA-N 415.463 5.288 0 1 HKAF COc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCc1ccccc1)[C@H]3c1ccc(C)cc1 45353021 ROOJSARCRWDMSO-NDEPHWFRSA-N 424.544 5.592 0 1 HKAF Cc1ccccc1-c1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2 64549306 FUZKHNSFTYISEL-DEOSSOPVSA-N 400.591 5.658 0 1 HKAF Fc1cccc(COc2ccc(Nc3cc(-c4ccsc4)ncn3)cc2Cl)c1 66112204 RZXIJFPEMANFOZ-UHFFFAOYSA-N 411.889 6.320 0 1 HKAF Oc1ccc2cc1Oc1ccc(cc1)CCc1ccc(c(O)c1)-c1c(O)cccc1CC2 85948775 ZKRAPLUKBRYFFL-UHFFFAOYSA-N 424.496 6.147 0 1 HKAF biogenic,in-vitro O=c1[nH]cnc2c1[C@H](c1c(-c3ccccc3)[nH]c3ccccc13)C=C(c1ccccc1)O2 95605612 WHTNAYVSJDLPEL-FQEVSTJZSA-N 417.468 5.484 0 1 HKAF COc1cc(OC)cc(-c2cc(C)c3nc(Nc4ccc(C)cc4C)nnc3c2)c1 96167698 VCVIAHJQBIZMSV-UHFFFAOYSA-N 400.482 5.378 0 1 HKAF O=C(/C=C/c1cccnc1)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 96934219 MSJSVXPZBQQCHM-RMKNXTFCSA-N 401.857 5.074 0 1 HKAF COc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1O[C@@H]1C[C@@H]2CC[C@@H]1C2 100742892 JITWRUMFYWXWGT-SNUQEOBHSA-N 406.309 5.822 0 1 HKAF O=C(Oc1cccc2ccccc12)c1cc(-c2cc3ccccc3o2)nc2ccccc12 103191907 WQEWWCBFKJEEDX-UHFFFAOYSA-N 415.448 7.020 0 1 HKAF CCCCCc1cc2ccccc2nc1-c1cc(-c2ccc(C(F)(F)F)cc2)no1 103251905 NNUJTRUUJOFNAC-UHFFFAOYSA-N 410.439 7.308 0 1 HKAF CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2ccsc2)C2=C(O)CC(C)(C)CC2=N1 104004070 SBRWBUZICIXVAR-FQEVSTJZSA-N 407.539 5.535 0 1 HKAF FC(F)(F)c1ccc(-c2ccc3c(c2)CNC[C@H]3c2ccc(Cl)c(Cl)c2)nn1 114516152 AWYWUACFNBIOSL-HNNXBMFYSA-N 424.253 5.704 0 1 HKAF O=C(O)/C=C/c1ccc(/C(=C(/CCO)c2ccccc2)c2ccc3[nH]ncc3c2)cc1 114546572 RQMGXFBLPIATQC-LDPXRHKHSA-N 410.473 5.002 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1csc(Oc2ccccc2)n1 166709907 CKSSPOFRDLEYLY-GOSISDBHSA-N 424.522 5.206 0 1 HKAF COC(=O)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccc(SC)cc2)s1 253685221 DKEAXYAQHUXDHX-XYECEOMOSA-N 411.592 5.176 0 1 HKAF COc1c(F)cc(-c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)cc1F 586996916 VWIPHSHWRYXNHC-UHFFFAOYSA-N 401.412 6.017 0 1 HKAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc(Cl)cc(Br)c2[nH]1 587012199 PRXYQWDQFNFLLN-UHFFFAOYSA-N 418.747 6.002 0 1 HKAF Clc1cc(Cl)cc(-c2nc(-c3nc4ccc5c(c4[nH]3)CCCC5)cs2)c1 587015895 XBXRVQMFWJPJEH-UHFFFAOYSA-N 400.334 6.539 0 1 HKAF Cc1cc(F)c2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2c1 587016792 DONSSXNRJPPJON-UHFFFAOYSA-N 408.321 5.549 0 1 HKAF Fc1cc2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2cc1C(F)(F)F 587051605 PTNIHBATTABKSE-UHFFFAOYSA-N 415.173 6.955 0 1 HKAF COc1ccc2cccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c2c1 587097660 NECLPYVXPJMBRM-UHFFFAOYSA-N 401.465 6.583 0 1 HKAF CCCCOc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1OC 587098227 WEECQKQGAIQCSE-UHFFFAOYSA-N 423.512 6.609 0 1 HKAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587112274 FMPDKHMPCVPJFU-IBGZPJMESA-N 411.427 5.403 0 1 HKAF Cn1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(C(F)(F)F)c1 587113192 SXIUHTZPMRZVIJ-UHFFFAOYSA-N 412.131 5.369 0 1 HKAF Cc1cc(F)c2nc(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)[nH]c2c1 587130666 NTGIOYPJMKQNLX-UHFFFAOYSA-N 423.398 5.228 0 1 HKAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc(Br)cc(F)c2[nH]1 587148690 DKBTZNAVJWVMRO-GOSISDBHSA-N 414.253 5.805 0 1 HKAF Cc1c(Br)ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 587192868 HPDGZBVHNMOCRD-UHFFFAOYSA-N 406.327 5.841 0 1 HKAF CC(C)COc1cc2nc([C@H](C)c3ccc(N(C)C)cc3)[nH]c2cc1Br 587197852 VPLXTGNVXSCRRP-CQSZACIVSA-N 416.363 5.578 0 1 HKAF Cc1nc(Nc2ccccc2)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208095 LGNQTAZVPLUPIG-UHFFFAOYSA-N 419.509 6.622 0 1 HKAF CCn1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nc2ccccc21 587343513 UCKAYQBFUXCIKS-RCZVLFRGSA-N 416.452 5.175 0 1 HKAF C[C@@]1(c2cc(-c3ccccc3)no2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348181 QQQDBVWTVFBCFP-NOZRDPDXSA-N 415.420 5.461 0 1 HKAF COc1cccc2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349809 JGRZIGDWVIQTOJ-NOZRDPDXSA-N 404.437 5.131 0 1 HKAF CC(C)(C)[C@@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352064 IETPXQSLFFEIOD-IGKIAQTJSA-N 418.508 6.308 0 1 HKAF Cc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587352380 JATTYUHYVBTKHT-IAPPQJPRSA-N 424.471 6.142 0 1 HKAF CCCCCc1c(-c2ccccc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587366594 WRLBQWGKOWOTIM-UHFFFAOYSA-N 421.540 8.056 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CSCCc3ccccc32)[C@H]1c1ccc(F)cc1 587376398 XKSPLEBYVNYOCH-LADGPHEKSA-N 406.478 5.075 0 1 HKAF Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587389899 DOAMOQSFSPJGHA-VWLOTQADSA-N 423.516 5.753 0 1 HKAF CC[C@@]1(c2ccc(Cl)c(Br)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414131 SNUQXQYYNPYKGP-YJYMSZOUSA-N 407.691 5.164 0 1 HKAF COc1cc2c3c(c1)O[C@@](Cc1ccc(Cl)cc1Cl)(CC(C)C)[C@@H](C2)C3=O 587418435 HPTOZGIYBRLEAS-HTAPYJJXSA-N 405.321 5.777 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(C)c(OCc4ccccc4C)c(C)c1)[C@@H](C2)C3=O 587444835 VSAKPUAROCSJDY-CUNXSJBXSA-N 414.501 5.688 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3cc(Br)ccc13)CC2=O 587459329 OFMLDCVGVNZVKP-OAQYLSRUSA-N 414.299 5.469 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(-c3ccc(C)cc3)c1Cl)CC2=O 587462751 SFQGMCDWLASFHY-HXUWFJFHSA-N 410.901 5.507 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1ccc(SC)cc1)CC2=O 587491048 IBJJTQMEYVRXFB-DEOSSOPVSA-N 404.531 6.440 0 1 HKAF O=C1C[C@H](c2ccc(Oc3cccc(Cl)c3)cc2)Oc2c1ccc1c2CCCC1 587498264 DSCQCBADUYREHY-XMMPIXPASA-N 404.893 6.718 0 1 HKAF CN(C)/C=C\[C@@]1(c2cccc(OC(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587503202 GANQQCAGPNGWBC-UMHMGIAYSA-N 413.464 5.103 0 1 HKAF O=C1C[C@@](c2ccccc2)(c2ccccc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587503796 CUOGCSNCWGMBJM-RUZDIDTESA-N 422.446 6.493 0 1 HKAF CCOC(=O)[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587508473 OZAPIOHQEDUOFB-JOCHJYFZSA-N 418.411 5.008 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(F)c(Cl)c1 587555996 IHLUUEQJTSTRRR-OXJNMPFZSA-N 405.208 5.541 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cccc(F)c1 587572059 QYLDWXTTWJWDNV-XUZZJYLKSA-N 401.393 5.025 0 1 HKAF Cc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587578958 SRIDPMPKDKXQOY-BVAGGSTKSA-N 411.457 5.503 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(O)cc1 587605513 AGUZMHXSGMMCHA-OZXSUGGESA-N 410.425 5.003 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccccc2)cs1 587615369 WKLFDEQHTSAECU-KNQAVFIVSA-N 401.443 5.219 0 1 HKAF CC[C@@]1(c2cc(F)c(F)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587718076 MKXUADQCKXEHJU-NIVTXAMTSA-N 402.229 5.193 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(Br)c2)N1 587719778 QOWGKBXFHYCCEB-PWJLMRLQSA-N 417.091 5.113 0 1 HKAF COc1ccc(C[C@H](C)[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587724424 HXSOWFJHUQUSBU-JOOBJXAISA-N 410.302 5.190 0 1 HKAF FC(F)(F)Oc1cccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587784665 UERCUKISFHBSCJ-KAMYIIQDSA-N 410.395 6.211 0 1 HKAF CCCCC/C(=C/c1ccccc1)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587821572 VWMIMKRKFJTCHO-SQTNMICDSA-N 416.378 6.827 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC=C2CSc2ccccc2)N1 587848497 WRTJVSPPBVOYQS-SZNDQCEHSA-N 418.375 5.830 0 1 HKAF COc1cc(C)ccc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587925832 QLDSGQJDSPCJRT-UHFFFAOYSA-N 403.320 5.734 0 1 HKAF COc1ccc([C@H](c2ccccc2)c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 587936431 LDRLGQYNCFBKNJ-SANMLTNESA-N 420.512 6.331 0 1 HKAF Oc1cc(-c2cccc(Cl)c2)c(O)n1-c1cnc2cc(Br)ccc2c1 587939566 JPKVDTWROWWLGR-UHFFFAOYSA-N 415.674 5.520 0 1 HKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 587950058 IYDPQMUWPSJNBZ-GHJWDPDVSA-N 409.324 5.158 0 1 HKAF Clc1cccc2c1SCC[C@]21NC2(CC2)Cc2ccc(Br)cc21 961321907 KOXSAACPOYGHBA-IBGZPJMESA-N 406.776 5.520 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@H]1c1c(F)cc(C(F)(F)F)cc1F 962402014 YLOXRTHVDWNFIJ-IBGZPJMESA-N 412.427 5.531 0 1 HKAF FC(F)(F)c1cccc2c1[C@@]1(Cc3cccc(Cl)c3C1)NCC21CCOCC1 962952262 GMIYTDPMHMVGEA-NRFANRHFSA-N 407.863 5.004 0 1 HKAF CSc1ccc([C@@]2(CCc3cccc(C)c3)NCCc3c2sc(C)c3C)cc1 963029435 RVMXBOWLVOLWON-RUZDIDTESA-N 407.648 6.417 0 1 HKAF Cc1cc(C)c(NC(=O)C[C@]2(c3ccccc3)NCCc3ccc(O)cc32)c(Cl)c1 963352596 MLUDBQRTXPJMPG-RUZDIDTESA-N 420.940 5.081 0 1 HKAF COc1ccc(-c2cc(OC(C)=O)c3c(-c4ccccc4Cl)c(N)oc3c2)cc1 1772575735 TURNMXIFMLRZIJ-UHFFFAOYSA-N 407.853 5.936 0 1 HKAF Fc1ccc(Cc2sc(NCc3ccc4c(c3)CCO4)nc2-c2ccccc2)cc1 1772582870 PWGZOAYAKPDPOW-UHFFFAOYSA-N 416.521 6.087 0 1 HKAF COc1cc(F)c(-c2cc(Cl)cc([C@@H](CC(=O)O)c3ncc(C)s3)c2)c(F)c1 1772597090 GOWGJJIXHSKENK-OAHLLOKOSA-N 423.868 5.665 0 1 HKAF Cc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)n3c2CCO[C@H](C)C3)cc(C)n1 1772597475 NUVFBRNHNQYGEJ-OAHLLOKOSA-N 401.432 5.209 0 1 HKAF CCC(=O)Nc1cc2c(Nc3ccc4c(ccn4CC(C)C)c3)ncnc2cc1OC 1772610335 QZDUIPPQFKHLHS-UHFFFAOYSA-N 417.513 5.341 0 1 HKAF CCOC(=O)c1c(C=CCCCCCCCCO[C@H]2CCCCO2)cccc1OC 1857622823 CDIPBCLPESNNDH-HSZRJFAPSA-N 418.574 6.159 0 1 HKAF O=C(CCN1CCCCC1)Nc1cc(-c2ccco2)c2oc(-c3ccco3)nc2c1 1857648285 VQXMXFJGYUKBGZ-UHFFFAOYSA-N 405.454 5.162 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356618181 IISBZUQIQWKVMZ-HARJWSPQSA-N 414.718 7.881 0 1 HKAF CCC(=CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C)C(C)C 2356762480 ZTQJBFUXLOAEBX-IKZWERGWSA-N 410.686 7.865 0 1 HKAF C[C@]12C[C@H](c3ccccc3O1)N(C(=O)c1cccc(F)c1)C(=S)N2c1ccccc1 4821904 RNBGNJKSQFSSMX-HYBUGGRVSA-N 418.493 5.313 0 1 HKAF O=C(O)CCc1c(/C=C2\C(=O)Nc3cc(-c4ccccc4)ccc32)[nH]c2c1CCCC2 12404527 NQIZOXPPUYQOQV-QNGOZBTKSA-N 412.489 5.070 0 1 HKAF CC(C)=CCC/C(C)=C/CC[C@]1(C)OC(=O)[C@H](C(=O)c2ccc(O)cc2O)[C@H]1C 13481724 PUFZTKZBPIVBQR-UAQDBESWSA-N 400.515 5.321 0 1 HKAF C[C@H](CCCCOc1cc(-c2cccc(Cl)c2)cc(-c2ccccc2)n1)C(=O)O 13729782 GASIPYCKTLVFKT-QGZVFWFLSA-N 409.913 6.339 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(CC(=O)O)ccc1O 14510489 KWRMKPPRYRRMKO-QMCSRMPWSA-N 424.625 7.708 0 1 HKAF CCCC[C@H](O[C@@H]1CCCCO1)c1cccc(OCc2ccccc2C(=O)OC)c1 25991690 TZFTXDYHWLEEGK-BJKOFHAPSA-N 412.526 5.827 0 1 HKAF CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(ccc3ncccc23)C1 28821567 PVLHJBACUBNDAT-OAQYLSRUSA-N 417.528 5.504 0 1 HKAF NC(=O)c1ccc(Oc2ccc3c(c2)CCCN(CCCC2CCCCC2)C3)nc1 28825047 ZCLPHNKXKGRTBI-UHFFFAOYSA-N 407.558 5.082 0 1 HKAF Cc1[nH]nc2c1c(=O)[nH]c1c(/C=C/CN)c(C3CCCCC3)c(C3CCCCC3)cc12 28957035 SIOKAOZHHZYDDA-MDWZMJQESA-N 418.585 5.780 0 1 HKAF CCC1=C(c2ccc(O)cc2)c2ccc(OCCN(C)C)cc2Sc2ccccc21 33889720 KVDSNIZNJKIADY-UHFFFAOYSA-N 417.574 6.166 0 1 HKAF CN1[C@H]2CC[C@@H]1[C@@H](C=C(Br)Br)[C@@H](c1ccc(Cl)cc1)C2 40952667 KNYSPQPHDQPIRR-LJISPDSOSA-N 419.588 5.538 0 1 HKAF Cc1ccc(CN2C(=O)CN(Cc3cc4ccccc4o3)C[C@@H]2Cc2ccccc2)cc1 43120809 QFUNALOZTHXHBW-VWLOTQADSA-N 424.544 5.197 0 1 HKAF Cc1cccc2nc(-c3ccc(-c4ccc(CN5C[C@H](C)O[C@@H](C)C5)cc4)cc3)[nH]c12 45226614 RBCHKZMXDDXCRV-PMACEKPBSA-N 411.549 5.815 0 1 HKAF O=C(Nc1ccccc1)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1 45506456 ZPAYPTTVUDBXSU-UHFFFAOYSA-N 415.428 5.061 0 1 HKAF O=C(N(Cc1ccccc1)Cc1ccccc1)C(Cl)(C(F)(F)F)C(F)(F)F 68574169 QGJBOMWDKLVIFQ-UHFFFAOYSA-N 409.757 5.318 0 1 HKAF biogenic CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c3c(cc(O)c2c1=O)O[C@H](C)C3(C)C 71329401 FJZJTEHPYMIMST-CYBMUJFWSA-N 422.477 5.144 0 1 HKAF biogenic,in-vitro CCN(Cc1ccccc1)C(=O)c1cnc(NC2CCCC2)nc1-c1cccc(C)c1 82147293 PMHNDYBHUIPMGN-UHFFFAOYSA-N 414.553 5.469 0 1 HKAF O=C(O)/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)c(C(=O)O)c1 82151233 PCDTXXKIBTZWQL-QHHAFSJGSA-N 418.489 5.323 0 1 HKAF C/C(=C(\c1ccccc1)c1ccc(OCCN2CCNCC2)cc1)c1ccc(F)cc1 96915219 FRPWEAWHIRDUJP-MEFGMAGPSA-N 416.540 5.089 0 1 HKAF COc1cc([C@@H]2CC(=O)c3ccccc3O2)cc(OC)c1OC(=O)Nc1ccccc1 98084337 AFOWILONQHSNER-FQEVSTJZSA-N 419.433 5.021 0 1 HKAF CCCN(CCC)C(=O)c1ccc(N(c2ccccc2)[C@H]2C[C@@H]3CC[C@H](C2)N3C)cc1 100855474 KKGTYGAVZJEHEE-OOSCYNTBSA-N 419.613 5.712 0 1 HKAF C/C(=C\c1cc(=O)c2cc(Cl)c(I)cc2o1)c1ccccc1 103199531 UKEUOLSFEFPWTC-YRNVUSSQSA-N 422.649 5.612 0 1 HKAF CCC(=O)c1sc(-c2ccccc2Cl)c(C)c1-c1ccc(S(N)(=O)=O)cc1 148869878 LSPXLBSFIBLOJY-UHFFFAOYSA-N 419.955 5.284 0 1 HKAF CN(C)CCC/N=c1\cc(-c2ccccc2)sc2ccc(Br)cc12 169316875 PMLWQVRQGNWXGJ-RELWKKBWSA-N 401.373 5.183 0 1 HKAF Cc1cc(Nc2ccc3ccccc3c2)nc(Nc2ccc(N3CCOCC3)cc2)n1 203003752 KCJVFVMSJRBSAL-UHFFFAOYSA-N 411.509 5.262 0 1 HKAF CC(C)=CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@]4(C)C=C[C@@]3(CC[C@@H]2[C@@]1(C)C(=O)O)C4 238732721 RRRHNFHOWMELHD-MKPZRNHUSA-N 400.559 5.528 0 1 HKAF CC[C@H](/C=C\[C@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 255222142 JZVFJDZBLUFKCA-FNEKSKDDSA-N 412.702 7.801 0 1 HKAF CCc1c(C(=O)Nc2cccc(-c3cccc(N(C)C)n3)c2)[nH]c2ccc(Cl)cc12 299871269 YGIKSMCSADYGOY-UHFFFAOYSA-N 418.928 5.764 0 1 HKAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(Br)c(F)c4[nH]3)c2)cc1 586881077 RZGMJKYSZRKXQV-UHFFFAOYSA-N 409.258 6.001 0 1 HKAF CC(C)Oc1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586984822 JCLSYCWVEQGRBC-FQEVSTJZSA-N 414.347 5.298 0 1 HKAF COc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1C 587027835 SSHVJHCPBXVWTH-UXPWSPDFSA-N 409.555 5.016 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(OC(C)C)cc2[nH]1 587035663 XVDGSZNGFGALSD-SFHVURJKSA-N 407.539 5.836 0 1 HKAF Brc1cc2nc([C@H]3Cc4ccccc4S3)[nH]c2cc1Br 587041136 AAEFVMKQGUZKSJ-CQSZACIVSA-N 410.134 5.477 0 1 HKAF COc1cc(/C=C\c2nc3c(F)cnc(Cl)c3[nH]2)cc(Cl)c1OCC(C)C 587046484 HFICRZRQGBQOGM-PLNGDYQASA-N 410.276 5.618 0 1 HKAF FC(F)(F)Oc1cccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 587050211 FSTHDTRIVJCZNJ-UHFFFAOYSA-N 413.182 6.695 0 1 HKAF CC(C)(C)c1ccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2c1 587050784 SRKFTMDZBASFBF-UHFFFAOYSA-N 410.948 8.001 0 1 HKAF Fc1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1Br 587050840 QXLMAHAETSVWGO-SFYZADRCSA-N 400.078 6.042 0 1 HKAF Cc1cc(Cl)ccc1OCCCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587067134 VJFVSHRNSZOECF-UHFFFAOYSA-N 403.231 6.209 0 1 HKAF FC(F)(F)c1cnc2nc(-c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587070277 HJGQKVIWIWLXFU-UHFFFAOYSA-N 403.791 5.876 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(C(=O)O)cc2[nH]1 587071316 JZBHPHPBDOYSDC-FOFINAFOSA-N 401.293 5.934 0 1 HKAF O=C1c2ccccc2-c2cc(-c3c(-c4ccccc4)nn4ccccc34)nc3cccc1c23 587107470 SHKSQPMGDZTSDT-UHFFFAOYSA-N 423.475 6.428 0 1 HKAF Cc1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1Br 587132113 KFPNVRVEPPWYBN-IHWYPQMZSA-N 403.148 5.500 0 1 HKAF CC(C)(C)c1cccc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c12 587138450 JDRKKWCATMADDT-UHFFFAOYSA-N 406.432 6.171 0 1 HKAF Fc1ccc(-c2ccccc2-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1F 587145845 SQZYVDBNXZHBPD-UHFFFAOYSA-N 408.757 6.847 0 1 HKAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587201662 VDGKMRFZEPPRQX-UHFFFAOYSA-N 421.541 5.375 0 1 HKAF C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4c5c(nc6cccc7c6c5CC7)CC[C@]4(C)[C@H]3CC[C@@]21C 587215509 ISKSYHFORCFOEM-QAKUMSNQSA-N 415.621 6.357 0 1 HKAF C[C@H]1c2c(nc3cccc4c3c2CC4)C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@]21C 587216069 RTKPEZJWXIUPRX-OWZMOSGDSA-N 415.621 6.213 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCOc3ccc(F)cc32)[C@@H]1c1ccc(F)cc1 587329648 DBONYKXGBVICGW-VWNXMTODSA-N 408.400 5.097 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(Cl)ccc3C2)[C@@H]1c1ccc(F)cc1 587330059 MYAYGZXIQIKCRG-ISKFKSNPSA-N 408.856 5.471 0 1 HKAF CC(C)(C)[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339238 YIXLMZSUPQUDJA-DHLKQENFSA-N 408.444 5.971 0 1 HKAF O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 587356697 RCIRNAIVTYTOAG-IXCJQBJRSA-N 424.471 6.028 0 1 HKAF CC(C)(C)[C@]1(CC2CCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357504 UTNMVDUWELBMQM-JYFHCDHNSA-N 410.529 6.646 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](n2nc(C)cc2C)CC3)c1 587362094 BOOZDCOSDZQSJU-IBGZPJMESA-N 423.516 6.200 0 1 HKAF O=C1C[C@]2(CCCc3nc(-c4cccnc4)sc32)Oc2c1ccc1c2CCCC1 587535013 HFIQRXAHKQQUNI-DEOSSOPVSA-N 402.519 5.281 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc(F)c1 587569706 IWISUQGJPJERGI-ZEQKJWHPSA-N 412.416 5.437 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(F)cc1 587572626 SVCJAMOQKWELTQ-ZEQKJWHPSA-N 412.416 5.437 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)C1CCCCC1 587601241 FTWINYFBEGYGAL-IGKIAQTJSA-N 414.501 5.916 0 1 HKAF CC1(C)O[C@H](c2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587617700 QNIYQDPILYQMLG-BPYKYCOYSA-N 402.446 5.033 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(Cl)nccc3c2)N1 587706975 UAMSFFFTODREOL-YPMLDQLKSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC(F)(F)F)c2)N1 587714866 BKDMYLMPKZRIQI-XXFAHNHDSA-N 404.201 5.110 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3cccc(F)c3)s2)N1 587728431 DZDQGNIMRMDFIU-MGNBDDOMSA-N 421.310 5.474 0 1 HKAF CCc1nc2cccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2o1 587776210 BXAWZTYYGDFBGL-PRWKNARSSA-N 403.295 5.090 0 1 HKAF CCCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587790748 GGLCKSRRXABNJE-MPBGBICISA-N 408.311 5.009 0 1 HKAF COc1ccc2ccccc2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587805387 DIAAJOSVHGJVIE-GTJPDFRWSA-N 400.291 5.374 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)s2)(C2CCC2)N1 587850086 XBIKBIOYSQSQIN-XTZNXHDOSA-N 414.771 5.881 0 1 HKAF Cc1c(Cl)ccc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c12 587949533 WBLUEKVOBUKYQQ-ULYRPOKDSA-N 424.972 6.809 0 1 HKAF CCOc1cccc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)c1OC(F)F 961618314 ZRFPVVIMKQOQQN-KRWDZBQOSA-N 424.285 5.217 0 1 HKAF FC(F)(F)c1cccc2c1[C@@H](c1ccccc1OCC1CC1)NCC21CCOCC1 962960081 RQDIFPFJMIHBBP-JOCHJYFZSA-N 417.471 5.235 0 1 HKAF CC(C)(C)c1cccc(-c2cc(C(=O)Oc3ccccc3Br)no2)c1 1857588385 AZEITWZNYNGDQR-UHFFFAOYSA-N 400.272 5.621 0 1 HKAF CN(c1ccc2c(c1)c1ccccc1n2C)c1cc(C(F)(F)F)nc2ccccc12 1857608949 HONUUNUHOKQPCN-UHFFFAOYSA-N 405.423 6.666 0 1 HKAF CC=C(C)C(=O)OCC1=CCC[C@H]2[C@@](C)(CCc3ccoc3)[C@@H](C)CC[C@]12C(=O)O 2356374721 CZUZNUPRGZSCJO-YMLRZMTOSA-N 414.542 5.565 0 1 HKAF CC1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@]3(C)C(C)(C)CCC[C@@]43C)[C@H]2[C@@H]1C 2356518846 DZINXMCMPUDAJI-BNHCLOHJSA-N 424.757 9.444 0 1 HKAF COC(=O)C1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC[C@H](C)CCOC(=O)C(C)C 2356549889 LKEDBIJRCHKPBF-FXWJEBAPSA-N 406.607 5.944 0 1 HKAF COc1ccc(-c2noc(-c3ccc(Cl)cc3F)c2C(=O)NCC(C)C)cc1 774498 ZFHCJKLQHGKXIZ-UHFFFAOYSA-N 402.853 5.196 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 8214879 GMBQZIIUCVWOCD-VMJSMGNVSA-N 416.646 5.794 0 1 HKAF CCCCOc1cc2c(Nc3cccc(-c4csc(C)n4)c3)ncnc2cc1OC 13490852 GMHDMHFXAUFHHL-UHFFFAOYSA-N 420.538 5.993 0 1 HKAF CCOC(=O)c1cn2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1CC 14954036 SXUTWMUWKOLBDA-UHFFFAOYSA-N 402.454 5.004 0 1 HKAF O=C(CCCCCCc1ccc(C(F)(F)F)cc1)c1ncc(-c2ccccn2)o1 14979876 FBSDLZAMUQFBSX-UHFFFAOYSA-N 402.416 6.131 0 1 HKAF CCCCOC(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Br)cn12 26834687 RIVHPRQZNGERSV-UHFFFAOYSA-N 421.722 5.303 0 1 HKAF CC(C)Oc1ccccc1Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)O)cc1 28523061 ZLKFFBRJNVPUIZ-PGMHBOJBSA-N 417.461 5.122 0 1 HKAF CC[C@@H](C(=O)O)[C@H]1CCc2cc(OCCn3nc(-c4ccccc4)cc3C)ccc21 28563294 ZCZWMWGKTOSREI-FYYLOGMGSA-N 404.510 5.078 0 1 HKAF COc1cc2c(cc1OC)Sc1ncnc(Oc3cccc(Cl)c3F)c1NC2 35818034 BZYNBGXJTJSBER-UHFFFAOYSA-N 419.865 5.155 0 1 HKAF CNC(=O)c1ccccc1-c1ccc2c(c1)CN(C(C)=O)c1ccc(Cl)cc1CC2 36311184 WEHCHLITDGVNJP-UHFFFAOYSA-N 418.924 5.018 0 1 HKAF COc1cccc([C@@H](C)NCc2ccc(OC)c(-c3ccc(C(F)(F)F)cc3)c2)c1 38559482 WAHHHNYICCZJFL-MRXNPFEDSA-N 415.455 6.240 0 1 HKAF CO[C@@H]1OCC2=CC[C@H]3[C@@](C)([C@H]21)[C@H](O)C[C@@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@]13C 40576479 BIJAKZXAJWXIHK-ZUFLAUTISA-N 402.619 5.571 0 1 HKAF Cc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4ccccc4)cnc3-c3ccoc3)cc12 45351201 FWGNLCUYKHRQFM-NRFANRHFSA-N 424.504 5.142 0 1 HKAF CCCCCC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccccc2)c2n1CC(C)(C)C2 66122996 MFRJJTWILUBONP-UHFFFAOYSA-N 419.996 7.821 0 1 HKAF CCN(CC)CCOc1ccc2c(c1)C(C)(C)c1oc3cc(Cl)ccc3c1C2=O 71340901 PJJABYSQWLLZCV-UHFFFAOYSA-N 411.929 5.677 0 1 HKAF CC(C)(C)c1ccc(CNCc2coc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 72102056 LVFCCHRZRGEGAV-UHFFFAOYSA-N 404.432 5.828 0 1 HKAF COc1ccc2nc(C)c3c(C(F)(F)F)nc(-c4ccc(F)cc4Cl)n3c2n1 73169355 RYTQEZNQUVMBSA-UHFFFAOYSA-N 410.758 5.073 0 1 HKAF Cc1cc2c(c(C(C)(C)C[C@](O)(Cc3cc4ccccc4[nH]3)C(F)(F)F)c1)OCC2 73179933 USMFOMVHIKQVEN-HSZRJFAPSA-N 417.471 5.615 0 1 HKAF FCCn1cc(-c2ccncc2)c(-c2ccc(OCc3cccc(C4CC4)n3)cc2)n1 73196835 LQXFYXGYPVHEKJ-UHFFFAOYSA-N 414.484 5.433 0 1 HKAF Cc1cnc(-c2cnc(NCc3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)o1 82176850 SAQVCALYINDPGN-UHFFFAOYSA-N 418.500 6.386 0 1 HKAF CC[C@@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCc3ccc(C)cc3)ncnc21 82179125 WFGUXRHARCWVPY-MRXNPFEDSA-N 401.514 5.166 0 1 HKAF CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2cccc(F)c2)cs1 82193550 AXTHGOBRKNPHCG-JXFKEZNVSA-N 403.567 5.251 0 1 HKAF COc1ccccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(C(C)(C)C)cc1 96176952 JXQLSSXSIXTLMR-JOCHJYFZSA-N 417.553 5.763 0 1 HKAF C[C@]1(O)c2ccccc2-c2c1c(OCC(F)(F)F)nc1ccc(Br)cc21 96907755 AGXZVUJKDXDVNA-SFHVURJKSA-N 424.216 5.175 0 1 HKAF Cc1cc(C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccccc1C(F)(F)F 116015955 PSKIBDYNHSIHDY-UHFFFAOYSA-N 408.423 6.518 0 1 HKAF Cc1ccc(C(C)C)cc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)cc(C)c2C1 146941281 RIHCYYHSRAVLKQ-UHFFFAOYSA-N 409.577 6.841 0 1 HKAF Cc1cc(C)c(CNC(=O)c2c(C)n([C@H](C)c3ccccc3)c3ccccc23)c(O)n1 148358716 UVKHXUWVSLZMMY-GOSISDBHSA-N 413.521 5.206 0 1 HKAF Cc1ccc2c(c1)N[C@@H](c1ccccc1C(F)(F)F)[C@@H]1C(=O)CC(C)(C)CC1=N2 169722105 ZUCHWKPGLUKNAN-SFTDATJTSA-N 400.444 6.258 0 1 HKAF O=C1CCCC[C@@]12[C@@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 195413351 OYVPINFOQJXIJW-XPCWZZLQSA-N 422.528 5.092 0 1 HKAF c1ncc(-c2cc3c(cn2)[nH]c2ncc(-c4ccc(CN5CCCCC5)cc4)cc23)o1 200103372 HFRNGSUSVIONOS-UHFFFAOYSA-N 409.493 5.419 0 1 HKAF Cc1nc(N[C@@H](C)c2cncc(-c3cnn(C)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 205847954 MMNLFFKDJFUOEE-INIZCTEOSA-N 424.508 5.475 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C 255221138 JJJSDRCOEVDSMV-DVKXAIPJSA-N 402.663 6.504 0 1 HKAF CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 261499073 XGIZPVUTLMXXTK-OPSBKBRQSA-N 416.690 6.894 0 1 HKAF endogenous,in-man CCCC[C@@H](OC(C)=O)c1ccccc1C(=O)Oc1cc(C)nn1-c1ccccc1 474609877 WNHRXNZLIHWFQD-JOCHJYFZSA-N 406.482 5.194 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cncc(Br)c3[nH]2)c1 586880121 YZAWWDJMZRISSE-UHFFFAOYSA-N 406.283 5.235 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)CC1 586881214 RCFAQHKZAOZOGT-QAQDUYKDSA-N 400.488 7.713 0 1 HKAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 586921434 IDZNSBLWNUUNJL-UHFFFAOYSA-N 408.548 5.099 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587014162 HTZJAVYPBDXKIE-UHFFFAOYSA-N 417.921 7.108 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(F)c(F)c(F)c3[nH]1)N2 587032354 SWJOLYZYAUIQOE-UASDCXGESA-N 424.473 5.107 0 1 HKAF CC(C)Oc1cc2[nH]c(-c3cc4c(s3)CC[C@H](C)C4)nc2cc1Br 587032792 AUPWMHIAKDUFIR-NSHDSACASA-N 405.361 5.966 0 1 HKAF COC(=O)c1ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c1OC 587062184 DRJBTJUFLJHPEG-UHFFFAOYSA-N 406.869 5.269 0 1 HKAF COc1cnc(-c2nc3cc(Br)c(OCCC(C)C)cc3[nH]2)cc1Cl 587064708 NLJLWCPJZSCNGL-UHFFFAOYSA-N 424.726 5.474 0 1 HKAF COC(=O)c1ccc2c(c1)CCCc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O 587098455 SEPZPLIODTZAPC-UHFFFAOYSA-N 419.480 5.697 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@@](F)(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C1 587103642 MGAXLBRLOJKMLN-VWLOTQADSA-N 418.468 5.252 0 1 HKAF Cc1c(-c2cccc(C(F)(F)F)c2F)nc2cccc3c2c1-c1ccccc1C3=O 587104496 SFKIEGYNHFIMCB-UHFFFAOYSA-N 407.366 6.580 0 1 HKAF COc1cc(-c2nc3cnc4ccccc4c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144418 WNEAMPPXBPNZPA-UHFFFAOYSA-N 413.408 5.291 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)c1 587159358 ZWSGZABOYCFXNB-UHFFFAOYSA-N 401.268 6.275 0 1 HKAF Fc1ccc(/C=C(\c2nc3cc(Br)c(F)cc3[nH]2)c2cccs2)cc1 587162499 BWUBULUYXALPIB-JYRVWZFOSA-N 417.278 6.254 0 1 HKAF Fc1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1Br 587194961 ADZLMABXUZNURK-UHFFFAOYSA-N 410.290 5.671 0 1 HKAF CC1(c2ccc(F)cc2)CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587333680 LDXYKYFIEDQCQS-BSSNWTCHSA-N 406.428 5.520 0 1 HKAF Nc1ccc([C@@]2(C3CCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587340126 VCOZZTLWPZRWJN-ILBGXUMGSA-N 403.453 5.168 0 1 HKAF Cc1cccc([C@]2(C(C)(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587359102 ZNIZWAIQSOMFQU-OZXSUGGESA-N 404.481 6.140 0 1 HKAF COc1cccc(-c2cc(-c3nc4cc(C)ccc4[nH]3)nc3c2oc2ccccc23)c1 587363704 TVIHHHBSQPRZMK-UHFFFAOYSA-N 405.457 6.508 0 1 HKAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccccc1Cl 587379971 ZJMAOBUQQFSZBR-QFIPXVFZSA-N 423.896 5.525 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cc(Cl)ccc1Cl)[C@@H](C2)C3=O 587421841 NGVOTTVCGAHSQW-LHSJRXKWSA-N 400.261 5.281 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccc(Cl)cc3)cc1)CC2=O 587460870 JDDDMASVFVBTEV-VWLOTQADSA-N 406.909 6.546 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C)=COc2c(Cl)cc(Cl)cc21 587461556 KYTZTJOFFUGICS-OAQYLSRUSA-N 405.277 5.808 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](C(=O)OCC)C(C)C)CC2=O 587476725 AKURNRKMWLEQNE-RCZVLFRGSA-N 410.510 5.041 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCc1cccc(OC)c1)CC2=O 587484339 ZTHRJTVWTYKEDY-VWLOTQADSA-N 418.489 5.639 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](CC)c1ccccc1)CC2=O 587489232 NRRLUCSIETYVKQ-HOFKKMOUSA-N 400.518 6.399 0 1 HKAF C[C@@]1(c2cccc(I)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587504675 KOIQNRKDAASRHV-FQEVSTJZSA-N 418.274 5.051 0 1 HKAF CC[C@H](C)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC 587590331 BZVXXVLKYISILA-JCVZSFDNSA-N 404.462 5.617 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587602344 JJGZAXBNYRSIJJ-LBNVMWSVSA-N 422.480 5.914 0 1 HKAF CCC[C@@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611935 HQBDPWGXWPWCPM-RXVVDRJESA-N 400.883 5.764 0 1 HKAF COc1ccc(-c2c(-c3cc(Cl)ccc3Cl)[nH]c3cc(Cl)c(F)cc23)cc1 587627890 CCJDLHUEDBANCV-UHFFFAOYSA-N 420.698 7.610 0 1 HKAF Cc1[nH]c2ccc(Cl)cc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587700178 SAQXHUAKEAIKEQ-AYLIAGHASA-N 407.714 5.655 0 1 HKAF CC[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587700614 ZNLUIIRHYMCUJI-MGNBDDOMSA-N 417.149 6.083 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3[nH]c4ccc(F)cc4c32)N1 587736811 XBVUFUALMHVNPD-WSVYEEACSA-N 417.297 5.323 0 1 HKAF CC(C)Sc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587841985 CTHRUCNCCBUHKE-XCLFUZPHSA-N 408.380 5.886 0 1 HKAF Cc1sc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587844716 OVLJAUFCMZCHST-KWKYVRJSSA-N 419.157 5.344 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc(Cl)s2)N1 587848625 OSLSQAHHAUQAIW-QGHHPUGFSA-N 402.760 5.685 0 1 HKAF Cc1nc(-c2ccccc2)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587856071 XUDHFRWVGHELET-WLRWDXFRSA-N 417.347 5.644 0 1 HKAF COc1ccc(/C=C\Cc2nc3cc(Br)cc(Cl)c3[nH]2)c(OC)c1 587930153 QHFZQNZDWDBZRY-ARJAWSKDSA-N 407.695 5.252 0 1 HKAF CCC[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C(C)C 587955067 FNJDZTBFICEXCX-OAHLLOKOSA-N 405.951 5.557 0 1 HKAF CC(C)C(=O)Nc1cc(Nc2cccc(NC(=O)c3cccc(C4CC4)c3)c2)ccn1 653845398 PDNKYBOAYZVYIE-UHFFFAOYSA-N 414.509 5.549 0 1 HKAF Cc1c(F)ccc2c1[C@@](CCCCCCC(=O)O)(c1ccc(Cl)cc1F)NCC2 962294285 BLOKBFPBHFBCIS-HSZRJFAPSA-N 421.915 5.741 0 1 HKAF CCOC(=O)CCCCCC[C@]1(C2CC2)c2ccsc2CCN1Cc1ccco1 962712892 WLKHAMCXXHHDKR-DEOSSOPVSA-N 415.599 5.908 0 1 HKAF O=C(O)CCC[C@@]1(c2cc(Cl)ccc2Cl)c2ccc(F)cc2C[C@@H]2CCCN21 963119891 ZXHSSUQRDUUYKQ-JTSKRJEESA-N 422.327 5.652 0 1 HKAF COc1ccc2c(c1)[C@@]1(c3ccc(Cl)cc3C[C@H]1C)N(Cc1ccc(F)cc1)CC2 963303274 OFCUEGIRWDXASH-WGDIFIGCSA-N 421.943 5.982 0 1 HKAF Cc1cc(-c2nc(-c3ccc(Cl)c(C(F)(F)F)c3)n3c2CCO[C@H](C)C3)ccn1 1772641706 MGEOOXJKVNLVGV-CYBMUJFWSA-N 421.850 5.554 0 1 HKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2[C@H](OC(C)=O)[C@@](C)(OC)CC1 1857656713 QNQVIRAZQPCQEB-UPVQGACJSA-N 402.531 5.180 0 1 HKAF Cc1cc(O)cc2c1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1C[C@@H]1O[C@]3(CC[C@H](C)CO3)[C@@H](C)[C@@H]12 2356436612 SOJHOFMFPXJBPI-SEPXVFEOSA-N 410.598 5.961 0 1 HKAF CC(=CC=C[C@H](C)CCCc1ccoc1)CCC[C@@H](C)C[C@@H]1OC(=O)C(C)=C1O 2356647401 LLUVPJMUQYMVHU-MZKRTTBSSA-N 400.559 6.695 0 1 HKAF CC[C@H](C)C=C(C)[C@H](O)[C@@H](C)C=C(C)C=CC=CC=CC=C(C)C(=O)N[C@@H](C)CO 2356653211 GDEZZTBHSFKRJN-KMAVCZJNSA-N 415.618 5.034 0 1 HKAF CC(C)[C@H](C)C=C[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)O3 2356776255 RWSNQTGGDGPKOZ-IVENGUNJSA-N 412.658 6.542 0 1 HKAF O=CNc1cc(-c2ccccc2Oc2ccccc2)cn2c(-c3ccc(F)cc3)cnc12 61907999 KCKVOGRDXFXYRR-UHFFFAOYSA-N 423.447 6.168 0 3 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(Cl)cc1)Oc1ccc(Cl)cc1-3 1896205 YXPFGIHHVMUHLF-DEOSSOPVSA-N 422.355 7.750 0 1 HKAF Cc1c(CNC2CCCCCC2)c(C(=O)O)c(C)n1Cc1ccc(F)cc1Cl 6806804 GCXCVJSFWVDEIN-UHFFFAOYSA-N 406.929 5.456 0 1 HKAF CC(C)CCCCCCCCCCCCCCCCCCCCCCCC(=O)O 14591990 ZAQKRFKZRXRVLJ-UHFFFAOYSA-N 410.727 9.699 0 1 HKAF biogenic CC(C)=CCc1cc(-c2coc3c4c(cc(O)c3c2=O)OC(C)(C)C=C4)ccc1O 14692098 ICIKOMSKEPJTII-UHFFFAOYSA-N 404.462 5.564 0 1 HKAF biogenic,in-vitro O=C(O)CCC/C=C\C[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1/C=C/[C@H](O)CCc1ccc(Cl)cc1 27556727 OWLWEPFVFFUXLA-FTSVZXMPSA-N 414.973 5.829 0 1 HKAF CCC(CC)(CC(=O)Nc1cccc(/C=C/c2ccc3ccc(F)cc3n2)c1)C(=O)O 28017960 OQPSKUCABGKHFR-XYOKQWHBSA-N 420.484 5.764 0 1 HKAF CCC/C=C/c1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(S(C)(=O)=O)cc1 28759617 JWBRWVUQCCKBIR-MDZDMXLPSA-N 415.599 5.705 0 1 HKAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2COC(c2ccccc2)c2ccccc2)N3C)cc1 36270747 PZCLLOMRKKUTII-VIJSPRBVSA-N 411.589 6.368 0 1 HKAF CCCc1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1 43018252 BLXXMPYGBOMIFD-UHFFFAOYSA-N 423.438 6.225 0 1 HKAF COc1cc(NCCCCCNc2cc(Cl)nc3ccccc23)nc2ccccc12 45228532 STRAYJFBJQHRQX-UHFFFAOYSA-N 420.944 6.139 0 1 HKAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCc1c[nH]c2ccccc12 53276477 MZFHPXNJDRKZLZ-HZJYTTRNSA-N 422.657 7.640 0 1 HKAF CCOc1ccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccco3)n2)cc1 82165996 JKVBQDVWKKAOFI-UHFFFAOYSA-N 420.538 5.530 0 1 HKAF CCC(CC)c1nc2c(NCc3cccs3)ncnc2n1CCc1ccccn1 82178296 OOLPQENYAMIUHJ-UHFFFAOYSA-N 406.559 5.041 0 1 HKAF NCCSC(c1ccccc1)(c1ccccc1)c1cccc(OC(F)(F)F)c1 84603171 SNNFOFIJRLLKSP-UHFFFAOYSA-N 403.469 5.569 0 1 HKAF CC(=O)/C(C)=C/C=C/C=C\C=C\C=C\C=C\C=C\C=C\C=C/C=C/C[C@H](O)CC(=O)O 85994933 KTAMMGIWIFDREV-WFHROPTLSA-N 420.549 5.753 0 1 HKAF CCCC(=O)N(Cc1cccnc1)c1ccc(OCc2ccc3ccccc3n2)cc1 95579218 JNUUQLFRNOZZEE-UHFFFAOYSA-N 411.505 5.542 0 1 HKAF S=C(Nc1cccc2ccccc12)Nn1ccnc1-c1ccc(Br)cc1 98083869 GTBPXCFUWQYRRT-UHFFFAOYSA-N 423.339 5.406 0 1 HKAF O=C1C2=C(CCCC2)[C@H](O)N1c1cc(OCc2cccc(Cl)c2)c(Cl)cc1F 103208638 FQQMMBHSFBSGBL-FQEVSTJZSA-N 422.283 5.247 0 1 HKAF O=C(NC(=O)c1c(Cl)cccc1Cl)OCc1ccc(-c2ccc(F)cc2)o1 103213979 ACSBOEVNMCXSKG-UHFFFAOYSA-N 408.212 5.459 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3ccoc3)c2)cc(-c2ccc3ncsc3c2)n1 141813370 CVJDNPWMXYWRTN-HNNXBMFYSA-N 412.518 6.495 0 1 HKAF NC1(c2ccc(-c3nc4c5cccc(O)c5nn4cc3-c3ccccc3)cc2)CCC1 143451778 SXIOPKJMHPTNBI-UHFFFAOYSA-N 406.489 5.260 0 1 HKAF O=C1C[C@H](c2ccc(Cl)cc2Cl)C[C@H]2Sc3ccc(Cl)cc3C(=O)[C@@H]12 169292636 PZKSLHZFBRDKRX-LCDDXDPXSA-N 411.737 6.067 0 1 HKAF CC(C)=CCC/C(C)=C/C=C\C1=C[C@@]2(C)C[C@@]1(C)[C@@H](/C=C(\C)CCC=C(C)C)CC2=O 169355796 XWYRFBXKAWNVEG-RFXKIHNYSA-N 420.681 8.860 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCCC(C)(C)[C@H]3CC[C@]12C 263637646 OORMXZNMRWBSTK-FSZIWXQASA-N 414.762 9.524 0 1 HKAF O=[S@](Cc1nc2cc(Cl)c(Cl)cc2[nH]1)C(c1ccccc1)c1ccccc1 586957743 BDFOKBNZLKMLHW-HHHXNRCGSA-N 415.345 5.908 0 1 HKAF Cc1c(-c2ccc(OC(F)(F)F)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586985930 HNVGXBJRNLCZKL-UHFFFAOYSA-N 421.374 6.026 0 1 HKAF Cc1ccc2c3c(cc(-c4cccc(OCCN(C)C)c4)nc13)-c1ccccc1C2=O 586997667 VHFCXUQPVJMEMY-UHFFFAOYSA-N 408.501 5.362 0 1 HKAF Cc1nc(COc2cccc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c2)cs1 587020015 BXCZSMAQBJZFLK-UHFFFAOYSA-N 405.401 5.472 0 1 HKAF CCCCCOc1cc2nc(-c3cnc([C@@H](C)O)s3)[nH]c2cc1Br 587021759 KTJUUWQNEOTWCU-SNVBAGLBSA-N 410.337 5.071 0 1 HKAF Cc1cc(-c2nc3cc(F)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587059142 OXRKIQNJKNTPOD-UHFFFAOYSA-N 405.864 5.432 0 1 HKAF Oc1c(Br)ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc12 587073629 IKZXJROATSUCCK-UHFFFAOYSA-N 400.663 5.413 0 1 HKAF Cc1c(Br)ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 587095027 NBHKWDYIOHNTKS-UHFFFAOYSA-N 423.154 6.338 0 1 HKAF COc1ccc(OC)c2c1CCc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O 587097895 OSXIDRLEWPHHEM-UHFFFAOYSA-N 407.469 5.537 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](c1ccc(Cl)cc1)CCCC3 587103736 KQARZKMENBLNKC-GOSISDBHSA-N 409.916 6.958 0 1 HKAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)cc2N1 587125282 DEGRZRQBYBQXEJ-QTTZVWFDSA-N 423.748 5.406 0 1 HKAF FC(F)(F)Oc1ccc2c(-c3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)n[nH]c2c1 587126939 IUDAXOGXSROKRT-UHFFFAOYSA-N 420.700 5.677 0 1 HKAF Cc1c(Br)ccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c12 587163632 QAUYDMUQEDRRBQ-UHFFFAOYSA-N 424.273 5.692 0 1 HKAF CC1(C)c2ccccc2-c2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc21 587208036 QITKQSBNEOMFFF-UHFFFAOYSA-N 423.515 7.420 0 1 HKAF Cc1cc(Cl)cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c12 587241118 ZPJIBOIUISIUFQ-UZSYQUHHSA-N 419.953 5.080 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCNc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 587329447 MRTKPSHQNIXLHW-UPVQGACJSA-N 423.871 5.645 0 1 HKAF C[C@]1(c2c(F)ccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330215 GAPGMKZFXOIUEX-AVRDEDQJSA-N 418.798 5.737 0 1 HKAF C[C@@]1(c2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334747 PWFBBGAPFDYKSC-UNMCSNQZSA-N 400.808 5.598 0 1 HKAF Cc1[nH]c2ccccc2c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346153 LJHWANGMUUUBKT-NOZRDPDXSA-N 401.437 5.595 0 1 HKAF COc1ccc(/C=C/c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 587362565 KAJAUHKAIKUMLJ-JLHYYAGUSA-N 407.469 6.836 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@@H]3c2ccco2)c1 587367387 WMQQGPZTMXGYNW-LJQANCHMSA-N 409.441 5.897 0 1 HKAF CCSc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587370885 YKUNJFIFGTXJGI-UPVQGACJSA-N 408.494 5.918 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3c(c1)c1cc(Cl)ccc1n3C)O2 587381073 ZUBQYAOERRNKLG-DEOSSOPVSA-N 404.897 5.756 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(F)cc1 587383445 BNXDQVOBWBXPEP-QHCPKHFHSA-N 407.441 5.010 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(Br)c(Cl)c1Cl)[C@@H](C2)C3=O 587411702 GAMQCUKEQQHZMZ-DYZYQPBXSA-N 414.082 5.253 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(COc4ccc(F)cc4Cl)o1)[C@@H](C2)C3=O 587426218 AXILUIIVOJVHJC-NYHFZMIOSA-N 414.816 5.148 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccc(CC(C)C)cc1)(c1cccs1)[C@@H](C2)C3=O 587453641 XYGWDGYSLUHEKC-CPJSRVTESA-N 404.531 5.646 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H]1CCCc3ccccc31)CC2=O 587491704 YPXCQKYKGSKADL-CUBQBAPOSA-N 412.529 6.326 0 1 HKAF O=C1C[C@]2(CCOc3c(F)cc(Br)cc32)Oc2c1ccc1c2CCCC1 587506484 KIBZWQMRHMEOLO-NRFANRHFSA-N 417.274 5.110 0 1 HKAF O=C1C[C@]2(CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)Oc2c1ccc1c2CCCC1 587518259 DMMYPWWPLKYXQA-ATILKMQGSA-N 415.577 5.592 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(SC(F)(F)F)cc1 587558638 XTDWKFVNAGZRKG-PXNSSMCTSA-N 418.392 5.707 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(F)cc2)o1 587570065 JZURBMMJPMDSOZ-URXFXBBRSA-N 402.377 5.494 0 1 HKAF Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc2ccccc12 587616744 GLJNYLXAFHMMJQ-GBXCKJPGSA-N 402.471 5.792 0 1 HKAF FC(F)(F)c1c(-c2c[nH]c3ccccc23)[nH]c2c1c(Br)cc1n[nH]cc12 587621920 PBRYXUPRFFNKLL-UHFFFAOYSA-N 419.204 5.974 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccncc3)cc2F)N1 587725268 OIGPYTVPVVBFBQ-GTJPDFRWSA-N 415.281 5.413 0 1 HKAF Cc1ccc(-n2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c(C)c1 587752148 CCRDSHAPTKFRKB-NYHFZMIOSA-N 413.334 5.619 0 1 HKAF CCC[C@H](CC1(c2nc3ccnc(O)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781074 DKAPGLPNHTZYBE-GOSISDBHSA-N 407.514 5.025 0 1 HKAF COc1ccc(C2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 587806756 JAICKLANWYLQID-WMKMYWHRSA-N 418.350 5.684 0 1 HKAF COc1ccc(C(C)(C)C)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587809265 SEIKKPAJDCUPHZ-FKIZINRSSA-N 406.339 5.518 0 1 HKAF Cc1cccc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587815363 LWDKKAROTDHRFQ-HJPURHCSSA-N 410.330 5.723 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)sc1Br 587841352 ASEOLTWUYKXTJW-RMLUDKJBSA-N 419.157 5.344 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccs2)N1 587853194 PMJNHDYYSAXERH-RBZFPXEDSA-N 402.332 5.476 0 1 HKAF COC1(c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)CCOCC1 587923273 ZARFPKRJVBHMBH-UHFFFAOYSA-N 408.498 5.750 0 1 HKAF COc1cc(O)cc(-c2cccc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c2)c1 587930526 CXMSKPNNSRUDBG-UHFFFAOYSA-N 402.347 5.769 0 1 HKAF CC(C)c1ccc(-c2cc(O)n(CC[C@@H](c3ccc(F)cc3)c3ccco3)c2O)cc1 587944428 BURAQYHOVFTTQC-QFIPXVFZSA-N 419.496 6.644 0 1 HKAF COC(=O)c1ccccc1-c1cccc([C@@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)c1 963094685 CNMVJEDLAAAHIG-AMGIVPHBSA-N 415.508 5.563 0 1 HKAF Cc1cc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc(C)c1OCc1ccccn1 963100065 PYMRQNQHPGDMDN-ZCYQVOJMSA-N 402.513 5.526 0 1 HKAF COc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)c2c(F)cccc2C[C@@H]2CCCN21 963108535 TXNBERMGKZGNHM-CCLHPLFOSA-N 413.492 5.532 0 1 HKAF CCCCCCc1ccc([C@]2(CCC(=O)O)c3ccccc3C[C@@H](C)N2CCC)cc1 963222717 CFUCQPYYTQMVPU-SKCUWOTOSA-N 421.625 6.574 0 1 HKAF CCCOc1ccc([C@@H]2NCCc3c(OC)ccc(Cl)c32)cc1Br 963260596 ZHGXTAQAKTVABU-IBGZPJMESA-N 410.739 5.135 0 1 HKAF CCc1ccc(/C=C2\CCc3c2[nH]c2ccccc2c3=NCCCN(CC)CC)cc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c1cc(O)cc(C)c1O 2356668627 WMKPZXIHMKNXKL-RUZDIDTESA-N 412.614 7.065 0 1 HKAF C[C@H]1CC/C(=C\c2ccc(F)cc2)C2=C1[C@@H](c1ccc(F)cc1)N1C(=O)CSC1=N2 5844594 XXQCGJLVUBZNPV-DYLPKHOGSA-N 422.500 5.719 0 1 HKAF C[C@H]1CC[C@@]2(NC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 8035242 KWVISVAMQJWJSZ-ICVABXCRSA-N 413.646 5.287 0 1 HKAF CC(C)(C)CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 11495134 GZSRTSIUVUUTLA-UHFFFAOYSA-N 408.973 5.694 0 1 HKAF CCCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccccc21 13586260 NKNYSGLYIJGMTP-UHFFFAOYSA-N 420.553 5.398 0 1 HKAF O=C(CCN1CCN(c2cccc3ccccc23)CC1)c1csc2ccccc12 13861813 BKHOZXQSWUVULC-UHFFFAOYSA-N 400.547 5.450 0 1 HKAF CCO[P@@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)NCc1ccccc1 26270409 LOEALVUQGYMARA-NDEPHWFRSA-N 422.490 6.483 0 1 HKAF Cc1cccc(C)c1C(OC[C@H](O)CN1[C@@H](C)CCC[C@@H]1C)c1c(C)cccc1C 28222364 HQNAZSBHKFCMGR-KMDXXIMOSA-N 409.614 5.650 0 1 HKAF CCNc1nc2ccc(-c3nc(-c4c(F)cccc4F)[nH]c3-c3ccccc3)cc2[nH]1 29130971 JFJAWGFAJIEXBV-UHFFFAOYSA-N 415.447 5.997 0 1 HKAF CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(-c3ccc(-c4cccnc4)cc3)cc12 35974092 QYKJMRXVRNRRGG-UHFFFAOYSA-N 422.454 6.588 0 1 HKAF O=C(O)CC/C=C\C[C@@H]1CO[C@H](c2ccc(Cl)c(Cl)c2)O[C@H]1c1cccnc1 36242275 IXVZMIJUOSLLMR-NJAXOTTOSA-N 422.308 5.602 0 1 HKAF Fc1cccc(F)c1Nc1ncc2nc(Nc3ccccc3Cl)n(C3CC3)c2n1 40764222 MDSAVQYFJCMZBV-UHFFFAOYSA-N 412.831 5.580 0 1 HKAF C[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@@H]13 40843311 KVTPARWKGZYKAU-WCRGKCAPSA-N 412.533 5.019 0 1 HKAF C/C(=C\Cn1c[n+](C)c2ncnc(N)c21)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)[C@H](C)C=CC[C@@H]21 40918133 XAPVYYQNAMLWTM-ASKMOWTMSA-N 422.641 5.219 0 1 HKAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@@H](C)C3CCCCC3)c2)[nH]1 40980833 CWKBMMKCFAOXDL-HNNXBMFYSA-N 410.562 6.380 0 1 HKAF COc1ccc(C(=O)CSc2nc(O)c(C(C)C)c(CC3CCCCC3)n2)cc1 66105124 SUBGRLIUDFTPCQ-UHFFFAOYSA-N 414.571 5.412 0 1 HKAF Cc1ccc(-n2c(-c3ccccc3)c(-c3ccccc3)c3c2ncn2cnnc32)cc1 73140234 YOICEXDSVCSKLO-UHFFFAOYSA-N 401.473 5.711 0 1 HKAF C[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2CC[C@@]2(C)Oc3ccc(O)cc3C[C@@H]21 82047480 SSYYQRHNVQFDDJ-XVQRPEOYSA-N 412.570 5.809 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(N)c(C)c(C)c2O1 95580518 AFVQSZCQZVIYLW-WAZJVIJMSA-N 409.658 8.169 0 1 HKAF COC(=O)c1cccc(CN2C(=O)C[C@@H](c3ccccc3)Sc3ccccc32)c1 95592686 GJHSUHATVMSJSM-QFIPXVFZSA-N 403.503 5.244 0 1 HKAF Cc1nccc2c3ccccc3n(CCCCn3c4ccccc4c4ccnc(C)c43)c12 95594874 IRHAYJBQZPPMFS-UHFFFAOYSA-N 418.544 6.790 0 1 HKAF Cc1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4Cl)CC(O)=C32)s1 103921306 IHTLIVPFMODOLO-IZHWHUGBSA-N 420.965 7.339 0 1 HKAF C[C@H]1CC[C@@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 118912468 GMBQZIIUCVWOCD-ICZVULAMSA-N 416.646 5.794 0 1 HKAF C[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@@H](C4)[C@@H]13 169310466 KVTPARWKGZYKAU-WWLBIMQOSA-N 412.533 5.019 0 1 HKAF CC[C@H](C)NC[C@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 169335660 XWIOBZKKWWYXIG-WNSKOXEYSA-N 415.364 6.144 0 1 HKAF COc1ccccc1[C@@H](c1ccc(OCCN(C(C)C)C(C)C)cc1)c1cccs1 206287378 SCEMCYUKNFYCHB-AREMUKBSSA-N 423.622 6.435 0 1 HKAF Cc1ccc2n1[B-](F)(F)[N+]1=C(CCCCCCCCCCCC(=O)O)C=CC1=C2 219964191 RHFBACKVNHUYNJ-UHFFFAOYSA-N 404.310 5.773 0 1 HKAF in-vitro FC(F)(F)Cc1cc2c(NCC3CCN(Cc4ccccc4)CC3)ncnc2s1 221796926 WOXHQCHYDTWCMH-UHFFFAOYSA-N 420.504 5.120 0 1 HKAF C[C@@H]1[C@]2(CC[C@@H](C)CN2)O[C@@H]2C[C@@H]3C(=CC[C@@H]4[C@@H]3CC=C3C[C@H](O)CC[C@]34C)[C@]12C 257622364 XLQGICHHYYWYIU-RKKXBETBSA-N 411.630 5.207 0 1 HKAF CC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cccc(Nc2ccc(F)cc2)c1 584904970 VYLVDNORDIJWQC-UHFFFAOYSA-N 411.476 6.960 0 1 HKAF in-vitro Cc1cc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586879840 SGUOVEWQTGMZCV-UHFFFAOYSA-N 414.358 6.061 0 1 HKAF FC(F)(F)Oc1cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2cc1Br 586883301 AMBHLMLUMFGCPB-XIKOKIGWSA-N 423.232 5.596 0 1 HKAF Cc1oc2c(c1-c1nc3cc(C(F)(F)F)cc(Br)c3[nH]1)C(=O)CCC2 586904407 VHLMSCWYLAYXPW-UHFFFAOYSA-N 413.193 5.432 0 1 HKAF Brc1ccc(-c2ccc(/C=C\c3nc4c(cnc5ccccc54)[nH]3)o2)cc1 586999163 XKUOQULQMKCERR-BENRWUELSA-N 416.278 6.304 0 1 HKAF Nc1c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)sc2cc(Br)ccc12 587030546 FLNBNOGAERRCHN-UHFFFAOYSA-N 413.127 6.096 0 1 HKAF FC(F)(F)c1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2cc1Br 587036585 GUHZWRBDMURUCL-ZDUSSCGKSA-N 417.250 5.262 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc3c(cc2[nH]1)OCO3 587071342 KHUBHMRHFLEXIO-BLZXYPCXSA-N 401.293 5.965 0 1 HKAF Cc1ccc(-c2cc(-c3nc4ccc5ncccc5c4[nH]3)c3cccc(Cl)c3n2)o1 587082707 CFKQSCMOAYMOTF-UHFFFAOYSA-N 410.864 6.548 0 1 HKAF Cc1ccc2c(ccc3nc(CSCc4cccc(OC(F)(F)F)c4)[nH]c32)n1 587123038 QOAISSXSOJHHMP-UHFFFAOYSA-N 403.429 5.752 0 1 HKAF O=C1c2ccc(O)cc2OC2([C@H]3CC[C@H]2Cc2ccccc2C3)[C@@H]1c1ccc(F)cc1 587355805 WINYYNOJGDMIND-ZYLNGJIFSA-N 414.476 5.454 0 1 HKAF COc1cccc(-c2c(C)c(-c3cc(F)c(O)c(F)c3)nc3c2oc2ccccc23)c1 587358515 CLABWTQNUWUQTC-UHFFFAOYSA-N 417.411 6.616 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](c2ccc(F)cc2)C3)c1 587359560 FLOOCXXNPUVMDF-SFHVURJKSA-N 423.487 7.068 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3cccc(C(=O)OC(C)C)c3)c1)O2 587400706 NOHKYUQVFMLGJH-DEOSSOPVSA-N 415.489 5.516 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(Cl)c1)(c1c(N)sc3c1CCC3)O2 587415754 WRCAWIFQYYPUBR-HSZRJFAPSA-N 424.953 5.272 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C34CC5CC(CC(C5)C3)C4)n[nH]1)CC2=O 587486760 TZCFGYRIWDLAHE-JTBNRJBESA-N 406.526 5.242 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(CCc1c(C)[nH]c3c(C)cccc3c1=O)CC2=O 587492102 WTXWVUMXBXUNEC-AREMUKBSSA-N 419.521 5.160 0 1 HKAF C=CN1CCCC[C@H]([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587514364 NXDIWRKWNGJWAL-HOFKKMOUSA-N 415.533 5.198 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)[C@]1(CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587995 IYCCDPIJCMKUKP-BVAGGSTKSA-N 411.457 5.375 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)c1ccccc1)c1ccccc1 587603136 MUFPFLDAXQZCOI-KCWPFWIISA-N 422.436 5.132 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CC1CCOCC1)c1ccccc1 587611540 SPJSLNGZPLFEIR-OZXSUGGESA-N 416.473 5.066 0 1 HKAF O=C(O)c1cccnc1Sc1c(-c2ccc(F)cc2)[nH]c2ccc(F)c(Cl)c12 587630166 GKJVLRZUUJCLGA-UHFFFAOYSA-N 416.836 6.011 0 1 HKAF CCCc1c(-c2ccc(Br)c(C)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587648578 ITKSUVCDUJBGRG-UHFFFAOYSA-N 406.345 5.262 0 1 HKAF Cc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587711980 YXWUBYPFZKKZJE-BMLIUANNSA-N 420.219 5.376 0 1 HKAF CCC[C@H](CC1(c2nc3ccc(CO)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781455 JZJCNGMWWYQRPR-OAQYLSRUSA-N 420.553 5.417 0 1 HKAF CCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587791296 HFNBVFRDVQKPOI-YUNKPMOVSA-N 408.311 5.009 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccccc2)N1 587809633 ARKUXNFUKGLHRP-MWTRTKDXSA-N 410.330 5.609 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sccc2Br)N1 587845457 RDVCVSRKKIOHOU-UHLUBPPHSA-N 405.130 5.036 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CN3CCCCC3)s2)N1 587848921 PXLSCFSTOPMUII-ZUOKHONESA-N 423.395 5.259 0 1 HKAF Cc1nc(-c2ccncc2)sc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587857112 ZUKGZVOVBODSMH-BMLIUANNSA-N 418.335 5.039 0 1 HKAF COc1ccc(C2(c3nc4ccc(Br)c(C)c4[nH]3)CC3(CCC3)C2)cc1 587935294 HRRJAJKDNPYMGD-UHFFFAOYSA-N 411.343 5.893 0 1 HKAF Cc1cccc([C@]2(c3ccc(Cl)c(Cl)c3)NCCc3cc(C)c(F)cc32)n1 962373941 KMMOLVLMTKGTRP-JOCHJYFZSA-N 401.312 5.582 0 1 HKAF Cc1ccnc2c1CCN[C@]2(CCCCCC(=O)O)c1cc(Cl)ccc1Cl 963071537 JOXWKSRBPBOQNS-OAQYLSRUSA-N 407.341 5.121 0 1 HKAF CCn1c(=O)cc(N2CCOCC2)c2cc(-c3ccccc3-c3ccccc3)ccc21 1857566630 BDIYKYDUSBTYHQ-UHFFFAOYSA-N 410.517 5.192 0 1 HKAF C[C@@H]1CCCN(CCCCCCOc2ccc3c(c2)C(=O)C[C@H](c2ccccc2)O3)C1 1857604596 HMZBNISOSPDRAV-JIPXPUAJSA-N 421.581 6.064 0 1 HKAF OC[C@H]1CCCN1Cc1ccc(COc2cccc(SCc3ccccc3)c2)cc1 1857613480 BARORSZYYCASMF-XMMPIXPASA-N 419.590 5.515 0 1 HKAF O=C1Nc2ccc(C(=O)c3ccco3)cc2C1=Cc1cc(Cl)c(O)c(Cl)c1 1857621816 XKTUKRBLWOHYIL-UHFFFAOYSA-N 400.217 5.016 0 1 HKAF C(=C1c2ccccc2[C@@H]2[C@@H]1O[C@H]1C(=Cc3ccccc3)c3ccccc3[C@H]12)c1ccccc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c1c(-c2ccc(OC)cc2)oc2ccc(-c3ccc(OC)nc3)cc12 15934068 XNALBZAKYSASAR-UHFFFAOYSA-N 417.461 5.746 0 3 HKAF C[C@@]1(C(=O)Nc2cccc(Oc3ccccc3)c2)CCN1Cc1ccccc1Cl 61898116 BONOMPSDOCATIQ-DEOSSOPVSA-N 406.913 5.735 0 3 HKAF Cc1ccccc1N1N=C(c2c(-c3ccc(F)cc3F)nc3ccccn23)CCC1=O 13493053 GDPTYJPHMSZXDA-UHFFFAOYSA-N 416.431 5.119 0 1 HKAF COc1ccc2c(c1CC=C(C)C)O[C@H]1c3cc(CC=C(C)C)c(O)cc3OC[C@]21O 14780988 OOAXWUFECWLVEQ-UIOOFZCWSA-N 422.521 5.132 0 1 HKAF biogenic C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2SCc1ccccc1 27978656 NWMGPUGOYGLKPO-CMDGYKDHSA-N 408.607 5.567 0 1 HKAF CCN[C@H](c1cc(Cl)cc(Cl)c1)[C@H](NCC)c1cc(Cl)cc(Cl)c1 28765090 PJEQUAJKRIBYRF-QZTJIDSGSA-N 406.184 6.302 0 1 HKAF FC(F)(F)Oc1ccc(C2=NC[C@@H](c3ccccc3OC(F)(F)F)N2)cc1Cl 28948595 UUFPWPUPPVEDSS-LBPRGKRZSA-N 424.728 5.228 0 1 HKAF O=C(O)c1cccc2c(=O)cc(-c3ccc(OCc4ccc5ccccc5c4)cc3)oc12 29223640 PYEUSJHUEUTWGV-UHFFFAOYSA-N 422.436 5.890 0 1 HKAF CCC1(CC)CN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1C 36093069 SWKUTDHWEYGQHY-FYYLOGMGSA-N 400.969 5.862 0 1 HKAF CNc1nccc(-c2ccc(C(=O)NC[C@H](C)c3ccc(Cl)cc3Cl)s2)n1 36144159 GQFRZDWMXNWNJD-NSHDSACASA-N 421.353 5.087 0 1 HKAF CCn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1 38239243 MSCSERRKBGIMGH-UHFFFAOYSA-N 406.489 5.759 0 1 HKAF C[C@@H](CN(C)C)C(=O)Nc1ccc(-c2csc(-c3nc4ccccc4[nH]3)c2)cc1 45230825 WWGQKCFEGGDOAP-HNNXBMFYSA-N 404.539 5.095 0 1 HKAF CCSc1ncc2c(Nc3cc(C)ccc3Sc3ccc(O)cc3)ncnc2n1 73296281 SQXWFYWGGNGHIC-UHFFFAOYSA-N 421.551 5.441 0 1 HKAF CC(=O)Nc1ccc(Sc2ccc(C)cc2Nc2ncnc3nc(C)ccc23)cc1 73310054 SEPPHIVHGQYIQW-UHFFFAOYSA-N 415.522 5.495 0 1 HKAF CN(C)c1ccc([C@@H](O)c2nnc(Nc3cccc(Oc4ccccc4)c3)s2)cc1 82078268 CGEFLJUNOAMSEP-OAQYLSRUSA-N 418.522 5.222 0 1 HKAF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc(F)cc2)C1 82140462 HLAFSUXPFQHCSP-IRXDYDNUSA-N 410.537 5.145 0 1 HKAF CCc1cnc(-c2cnc(N(C)CC)nc2-c2ccc(-c3ccccc3)cc2)s1 82177029 KFMGKVRPBPIKOH-UHFFFAOYSA-N 400.551 5.953 0 1 HKAF O=C(c1ccc(F)cc1)N1CCc2sccc2[C@H]1c1ccc(C(F)(F)F)cc1 84671153 IRUGXYXZAWUWES-LJQANCHMSA-N 405.416 5.694 0 1 HKAF O=C(C[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C1CCC1 100638917 MKXNGRZZFIXGEW-BGYRXZFFSA-N 411.586 5.551 0 1 HKAF COc1ccccc1N1CCN([C@H]2CC[C@@H](c3c[nH]c4ccc(F)cc43)CC2)CC1 101009305 PXPDZPCPTSKVAX-KESTWPANSA-N 407.533 5.164 0 1 HKAF CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccccc2Cl)C2=C(O)CCCC2=N1 104700233 QHBKLDWHAMNNFH-OAQYLSRUSA-N 410.876 5.926 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118923941 PZELUKPNJYWGOY-KUFNTGPZSA-N 400.691 7.635 0 1 HKAF CC(C)=CCC[C@@]1(C)C=Cc2cc(-c3coc4cc(O)cc(O)c4c3=O)ccc2O1 138262993 GJAMTTJMIMENRK-VWLOTQADSA-N 404.462 5.782 0 1 HKAF Cc1cc(O)c(-c2ccc([C@H](C)CN(C)C)c(F)c2)c2c1[nH]c(=O)c1sccc12 150148565 LHZSCNHIQYURJR-CYBMUJFWSA-N 410.514 5.228 0 1 HKAF COc1cccc(F)c1[C@@H]1C[C@H](C)C(=O)N1Cc1csc(-c2ccc(C)cc2)n1 166820173 MOXOWSSMOJNDCO-KXBFYZLASA-N 410.514 5.376 0 1 HKAF C[C@H](CCCc1ccc(F)cc1)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CNCC1 169344086 YRFKEHZPCQKFTM-QZTJIDSGSA-N 423.572 6.212 0 1 HKAF C[C@@H](N)CNc1nc(-c2ccncc2)nc2cc(-c3ccc(C(C)(C)C)cc3)sc12 223676606 VJTDZRQDCSDOLW-OAHLLOKOSA-N 417.582 5.477 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC=C2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@H]1[C@H](O)C3 257402164 CZXLHIZQQUJTND-AXHBWDTPSA-N 400.647 6.424 0 1 HKAF endogenous,in-man c1ccc([C@H]2c3[nH]c4ccccc4c3CCN2CCCN2Cc3ccccc3C2)cc1 299821445 KIEBMLKNWHLABS-NDEPHWFRSA-N 407.561 5.521 0 1 HKAF CCCCc1cc(-c2ccc(OC)cc2)cc(C(=O)N[C@H]2CC[C@H](C)CC2)c1OC 299860743 JTFJYYBSYWLXBV-LBZQVFOQSA-N 409.570 6.022 0 1 HKAF Oc1ccc(C2(c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)CC2)cc1 586895969 FPKASTFCTDUTRE-UHFFFAOYSA-N 413.193 5.010 0 1 HKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(CCO)cc2[nH]1 586981422 CCBQZOMRHNALFX-KRWDZBQOSA-N 401.348 5.233 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c3c(ccc2[nH]1)CCCC3 586981480 PSCPPQNHERRRNH-UHFFFAOYSA-N 406.327 5.970 0 1 HKAF Cc1ccc2c3c(c(CCc4ccc(Cl)c(Cl)c4)cnc13)-c1ccccc1C2=O 586992011 CEHNCAIYQNJLJL-UHFFFAOYSA-N 418.323 6.847 0 1 HKAF COc1cc(/C=C\c2nc3ccc(C(C)(C)C)cc3[nH]2)cc(Cl)c1OCC(C)C 587046713 KMVHUUAUQFHJAH-YFHOEESVSA-N 412.961 6.728 0 1 HKAF Cc1cnc2[nH]c([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc2c1 587055246 NRZPMMKQMNYYBF-CYBMUJFWSA-N 414.292 6.505 0 1 HKAF Cc1cc(-c2nc3c(F)cc(F)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587059750 VWLYZGASHLUEMZ-UHFFFAOYSA-N 423.854 5.571 0 1 HKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)cc(Br)c2[nH]1 587070758 WOASLNBQFQGZRU-VIFPVBQESA-N 412.114 6.009 0 1 HKAF Oc1nccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 587074442 AIORRICICHKLDA-FYWRMAATSA-N 424.891 6.019 0 1 HKAF COc1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2cc1OC 587082401 MUXBWOIPRNDKFA-UHFFFAOYSA-N 415.880 6.116 0 1 HKAF CCOc1cc(/C=C/c2nc3cccc(Br)c3[nH]2)ccc1OC(F)F 587131195 WKEMXVGPHUGHJP-VQHVLOKHSA-N 409.230 5.496 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](c1nc2cc(Br)cc(F)c2[nH]1)C1CCCC1 587225069 JOWYOYDMFSTVCT-CQSZACIVSA-N 412.303 5.221 0 1 HKAF COc1cc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C 587355625 YVKQNIJHGBNWJW-ILBGXUMGSA-N 406.453 5.431 0 1 HKAF CCCCc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587356307 PWZKQCLVROFWNF-RSXGOPAZSA-N 404.481 6.148 0 1 HKAF COc1cccc(-c2cc(CSc3nncs3)nc3c2oc2ccccc23)c1 587365475 DCXOHJNYDPCJKX-UHFFFAOYSA-N 405.504 5.800 0 1 HKAF COc1cccc(-c2c(C3CCCC3)c(-c3ccccc3)nc3c2oc2ccccc23)c1 587366627 XNCUVTVTYCVSNR-UHFFFAOYSA-N 419.524 7.981 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3ccc(C(F)(F)F)cc3)ccc1O)O2 587382091 NQQONDDRSZIDFE-NRFANRHFSA-N 413.395 5.675 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc4c(c3)CCCC4)[nH]c3ccccc13)O2 587397047 REXHDSCNSONQSY-RUZDIDTESA-N 422.528 6.311 0 1 HKAF CCCc1sc([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1Br 587489880 FBMSBSWZBKBFCG-HXUWFJFHSA-N 423.372 6.002 0 1 HKAF O=C1C[C@@](c2ccc(Cl)cc2)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 587505007 KMRVQPLKPKYDDV-RUZDIDTESA-N 423.339 6.781 0 1 HKAF C[C@]1(c2ccc(Oc3ccc(F)c(F)c3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587507232 VAHCRQOMXUNTJY-AREMUKBSSA-N 420.455 6.517 0 1 HKAF O=C1C[C@@H](c2ccc(-n3ccc(C(F)(F)F)n3)cc2)Oc2c1ccc1c2CCCC1 587508715 QEJDIVIUGZBOTK-FQEVSTJZSA-N 412.411 5.476 0 1 HKAF COc1cccc(COc2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)c1 587522975 JOUDEOVCYBYETF-AREMUKBSSA-N 414.501 5.860 0 1 HKAF Cc1ccc([C@@]2(c3[nH]c4ccccc4c3N)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526729 RBZAFXKARNJCOP-MUUNZHRXSA-N 422.528 5.846 0 1 HKAF COc1ccc(Sc2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531769 JIYXPAQLQLRNSG-DEOSSOPVSA-N 416.542 6.432 0 1 HKAF CC[C@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543946 DAPGXJVGKSTPJP-DENIHFKCSA-N 414.379 5.678 0 1 HKAF O=C(c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1)C1CCC1 587600342 APFHHJDOFXGOOU-SQJMNOBHSA-N 400.430 5.078 0 1 HKAF O=C(c1ccccc1)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 587621376 CKSUPGWJQFFTFT-UHFFFAOYSA-N 408.177 5.057 0 1 HKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1Cc1cccc(Br)c1 587657261 STCCEMFKYQZGGU-UHFFFAOYSA-N 409.258 5.013 0 1 HKAF CC[C@@]1(c2cc(F)c(F)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587715643 IJFKFZXNICJIFS-LZVRBXCZSA-N 402.229 5.193 0 1 HKAF CCCOc1cc2c(cc1[C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)CCC2 587789539 CMQCVDIZEKAOCV-DMZKTXOQSA-N 418.350 5.489 0 1 HKAF CCCOc1c(OCC)cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587789962 DJJUAKOEDIIFRE-RBZFPXEDSA-N 422.338 5.399 0 1 HKAF COc1ccc(C=O)c(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)c1OC 587790384 BRFVLXYRAMRBDF-UHFFFAOYSA-N 415.474 5.336 0 1 HKAF CC(C)Oc1ccc(CC[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587797282 VZJAXFNSCWWUEE-LHSJRXKWSA-N 406.339 5.584 0 1 HKAF CCC[C@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 587801499 GZXVSKCAHZQCIT-LRTDBIEQSA-N 401.323 5.647 0 1 HKAF COc1ccccc1C[C@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587804878 CTBQGYVMPYFFDL-SPLOXXLWSA-N 406.339 5.225 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(C(C)(C)C)N1 587813559 PBMIXEPSUIASPN-NYHFZMIOSA-N 404.367 5.997 0 1 HKAF CCc1cccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587815806 QIUNGALJDBKGCQ-VOIUYBSRSA-N 424.357 5.977 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CC=C(CCCC(C)(C)O)CC2)N1 587820133 AEDGVMINZFWCLC-ZJTDPSCFSA-N 424.398 5.831 0 1 HKAF CCc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 587825515 AGSZODWBDHLWFU-XMHCIUCPSA-N 414.318 6.034 0 1 HKAF COc1ccc2occ([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587825524 ALNIBBAGZXDUHR-BIBXISHDSA-N 404.279 5.141 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/[C@@H]2C(C)(C)CC[C@H]3O[C@]32C)N1 587838795 PKAIHBMQSVWXHX-AEODMXJASA-N 422.382 5.488 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccn3)s2)N1 587849175 REDZAPWBPOBHAX-NSPYISDASA-N 403.320 5.335 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(C3CCCCC3)s2)N1 587853864 OHMZYESRRPGXPG-VOJFVSQTSA-N 409.368 5.716 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1cc(C)cc(C)c1 587858377 HCDKMOWKBDHMEJ-UHFFFAOYSA-N 419.308 5.592 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)N[C@@H]1CCC[C@@H](C)[C@H]1C 587864643 QUOGRIXCJAFAMH-XJKCOSOUSA-N 411.493 5.125 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3c[nH]c4ccccc34)n2)cc1 587922430 CSWYYTDDTIPBGZ-UHFFFAOYSA-N 409.489 7.246 0 1 HKAF CC(C)c1cc(OC(C)(C)C)n(-c2cnc3cc(Br)ccc3c2)c1O 587939153 ISQMQEYTEYYBFW-UHFFFAOYSA-N 403.320 5.794 0 1 HKAF Clc1ccc2c(c1)C1(CCCCC1)c1cccc(Cl)c1N2CCc1nn[nH]n1 621476084 HZDPOFUFWCWIPR-UHFFFAOYSA-N 414.340 5.451 0 1 HKAF COc1ccc2c(c1)[C@](c1ccc(Cl)cc1F)(C1CCCCC1)N(C(C)C)CC2 962088333 FJGYMYGTNGENJV-RUZDIDTESA-N 415.980 6.578 0 1 HKAF OCC1(c2cccc([C@H]3c4ccsc4CCN3Cc3ccco3)c2)CCCCC1 962709351 RMKAFTOFOHZCSA-DEOSSOPVSA-N 407.579 5.683 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@]3(/C=C/c1ccc(O)cc1)c1ccccc1 963027941 AVHYADMZPLIQSB-BKJWKRJESA-N 408.501 5.052 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@@H]1CC3)C(C)C 2356536891 UEZKFNIGXFVXCX-LWOXMCGKSA-N 412.702 8.089 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 2356538643 MCWVPSBQQXUCTB-NQDRRATMSA-N 412.702 7.945 0 1 HKAF CO[C@]1(C(C)C)C=C2[C@H](OC(C)=O)C[C@H]3[C@](C)(CCC[C@@]3(C)COC(C)=O)[C@H]2CC1 2356575767 AJRWAVGXZFZZSG-LNOKEBROSA-N 420.590 5.075 0 1 HKAF CCCCC=CCCC=CCCCCCCCCCCC(=O)OC[C@@H](O)C(=O)O 2356587512 OELDKSOVLPNCTH-JOCHJYFZSA-N 410.595 5.959 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)C3=CC[C@@]21C)C(C)C 2356640184 RBKDJWIIGGRRML-YNESTUPZSA-N 408.670 7.641 0 1 HKAF O[C@@H]1CN2CCCC=CCCCCCC3=C[C@H]4CN5CCCCC=CCC[C@@](C2)([C@@H]14)[C@@H]35 2356697505 SVFQETJDDGVUQV-DJOAIXOZSA-N 424.673 5.327 0 1 HKAF O=C1Nc2ccccc2N(C(=O)c2ccc3ccccc3c2)[C@@H]1c1nc2ccccc2[nH]1 95566993 UOOAUTSKRJVNCZ-HSZRJFAPSA-N 418.456 5.056 0 3 HKAF CC(=O)c1c(C)c(C)c([C@H](CCCCCC(=O)O)c2ccc(F)cc2)c(O)c1C 13456413 YYWSZNKABFNXKL-HXUWFJFHSA-N 400.490 5.826 0 1 HKAF Cc1cc2c(-c3ccccc3)c(NC(=O)NCc3ccccc3)n(C)c(=O)c2cc1C 13742616 LNWVULAAXPQART-UHFFFAOYSA-N 411.505 5.144 0 1 HKAF CC1=C2C[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]43C)[C@H]2CC[C@]12O[C@@H]1C[C@@H](C)CN[C@@H]1[C@H]2C 14806482 QASFUMOKHFSJGL-SBDIJJHUSA-N 411.630 5.002 0 1 HKAF CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H](Cc1ccccc1)OS(=O)(=O)O 29571987 LGASRMMEBZXNCQ-BESBDSHLSA-N 406.588 5.606 0 1 HKAF Cc1nc(C(=O)N2CCCC[C@H]2CCOc2ccc(F)cc2)c(-c2ccccc2)s1 34232621 VDPZWYVAUUMDAS-FQEVSTJZSA-N 424.541 5.721 0 1 HKAF CC(C)N(CC[C@@](CCC1CCCCC1)(C(N)=O)c1ccccc1Cl)C(C)C 40632010 IMTYKBDLKBJZKB-XMMPIXPASA-N 407.042 5.933 0 1 HKAF O=C(O)c1cccc(-n2cccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 40764050 SMRMPFQENVWDPO-UHFFFAOYSA-N 403.865 6.075 0 1 HKAF Cc1cccc(Cl)c1NC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O 40894877 KZZQPCXGVIZFJB-UHFFFAOYSA-N 419.864 5.586 0 1 HKAF ClC(Cl)(Cl)c1nc(Nc2ccc(Br)cc2)c2ccccc2n1 43075610 GNNYHGVACSMUHY-UHFFFAOYSA-N 417.521 5.963 0 1 HKAF O=c1[nH]c(=S)[nH]c(-c2cccc3ccccc23)c1Cc1c(O)ccc2ccccc12 72170894 QJCWTGKUOCDDSE-UHFFFAOYSA-N 410.498 5.702 0 1 HKAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1C[C@@H](F)CN1C(=O)c1cncs1 72176697 OBUVCWPZKZGURL-CRAIPNDOSA-N 401.894 5.092 0 1 HKAF Cc1c(Sc2ccc(Cl)cc2)c2cc(-c3ccccc3)ccc2n1CC(=O)O 73195786 QPZCNPOQSRZYOA-UHFFFAOYSA-N 407.922 6.506 0 1 HKAF CC[C@@H]1CCCCN1c1nc(NC2CCCCC2)nc(Oc2ccc(OC)cc2)n1 82066720 RGAZACKVWDZEQE-GOSISDBHSA-N 411.550 5.186 0 1 HKAF COc1ccccc1CCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccccc2)n1 82163346 LOBDCLIXFUWJAA-UHFFFAOYSA-N 400.482 5.079 0 1 HKAF COc1cc(Cn2c(-c3ccccc3)nc3cc(C)c(C)cc32)cc(OC)c1OC 95555342 XQNMLOYSVNDSJO-UHFFFAOYSA-N 402.494 5.394 0 1 HKAF CCCOc1ccc(-c2cc(OCCN(C(C)C)C(C)C)c3ccccc3n2)cc1 96271018 RRXLQHPMLAUTMT-UHFFFAOYSA-N 406.570 6.188 0 1 HKAF COc1cc2c(cc1OC)[C@@H](CCCCCOC(=O)Nc1ccccc1)N(C)CC2 96923170 SOJCPVHJSUNSID-OAQYLSRUSA-N 412.530 5.042 0 1 HKAF c1ccc(CN[C@H]2C3C[C@@H]4CCC[C@@H](C3)N4[C@H]2C(c2ccccc2)c2ccccc2)cc1 101294646 KQKNMRPRNMBGPX-ZHTHUIBPSA-N 422.616 5.992 0 1 HKAF CC1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 149270547 PZVNDRDMKCGUFD-UHFFFAOYSA-N 406.517 6.430 0 1 HKAF C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(CCc3ccccc3)C[C@H]21 169373627 MEFBNOXISJBUAP-BLIXFSHQSA-N 412.499 6.027 0 1 HKAF O[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4CCCCC4)n3)c(Cl)cn2)CC1 169703734 GOGMFVUZNOUZHP-HDICACEKSA-N 414.981 5.505 0 1 HKAF CC(C)=CCC[C@@]1(C)CC=C2CO[C@]3(C)CC[C@]2(O3)[C@@H]1/C=C/OC(=O)C=C(C)C 238780137 DYJKAEXCVPJAAQ-SAWGAWCUSA-N 400.559 6.004 0 1 HKAF Fc1ccc(-c2nc(-c3sc4ncccc4c3-c3ccc(Cl)cc3)no2)cc1 299823966 ACMXMCCHLHJIHH-UHFFFAOYSA-N 407.857 6.473 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3ccc(Br)c4cc(C)oc34)nc2c1 587003332 ISXSYTMTKMXDDD-UHFFFAOYSA-N 420.104 6.118 0 1 HKAF Cc1ccc(-c2nc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)c(C)s2)cc1 587011614 AVAQWDZUOXMWQK-UHFFFAOYSA-N 411.530 6.549 0 1 HKAF COc1cccc2[nH]c(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCC4)nc12 587030674 IWLXOZHPGXMSOO-UHFFFAOYSA-N 423.925 5.694 0 1 HKAF Fc1cc(Br)c2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 587048992 KEPHWGBDSUCUTD-IUCAKERBSA-N 400.078 6.042 0 1 HKAF Clc1ccc(Cl)c(-c2ccc(-c3nc4c(Br)nccc4[nH]3)o2)c1 587049691 DNETTWLNJAKWIR-UHFFFAOYSA-N 409.070 5.954 0 1 HKAF C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccc(O)c2[nH]1 587054311 JRGXKQNUBFZBNZ-GFCCVEGCSA-N 415.276 6.508 0 1 HKAF COc1cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1C 587071848 SPYJGRHQGIUWPP-FLIBITNWSA-N 404.897 6.283 0 1 HKAF Clc1ccc(-c2cnccc2-c2nc3c(Br)cc(Cl)cc3[nH]2)cc1 587073556 GUAJKDJYUGFVLV-UHFFFAOYSA-N 419.109 6.361 0 1 HKAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)n1 587080629 RMRJANPODKJVEL-SSDOTTSWSA-N 421.648 5.832 0 1 HKAF Cc1c(Cl)ccc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c12 587114793 ZOGVGUJTXUOVBT-UHFFFAOYSA-N 413.852 5.415 0 1 HKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(Br)c(Br)cc3[nH]2)c1 587161127 KJNRDKMBPYWGHK-QWRGUYRKSA-N 410.084 5.498 0 1 HKAF CC[C@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353761 MAZULSNGQUZXFF-KLHUDOEFSA-N 420.524 6.255 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccc(Br)c1)O2 587377977 QZCFFRDFOBHCGB-JOCHJYFZSA-N 408.295 5.249 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(F)ccc1Oc1ccc(F)cc1F)[C@@H](C2)C3=O 587427238 RFWMTIVINQMPDG-QMHKHESXSA-N 412.363 5.394 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCOc3ccc(Br)cc31)CC2=O 587461742 YIFJCQRLEJMLBU-OAQYLSRUSA-N 417.299 5.141 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)Oc1ccc(-c3ccccc3)cc1)CC2=O 587480709 GCDSJZHIJJXDBY-XRHLQHRESA-N 416.517 6.203 0 1 HKAF O=C1C[C@H](c2cc(F)ccc2I)Oc2c1ccc1c2CCCC1 587505314 LVXNXEWXUWSISS-GOSISDBHSA-N 422.237 5.016 0 1 HKAF O=C1C[C@]2(CCC[C@@H]2c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 587506815 PIVWXFFYAMYTBY-JPYJTQIMSA-N 401.333 6.544 0 1 HKAF O=C1C[C@@H](c2c(Cl)cccc2Oc2ccccc2)Oc2c1ccc1c2CCCC1 587508809 TYUOMOZLGFJPLQ-QHCPKHFHSA-N 404.893 6.718 0 1 HKAF COc1cccc([C@]2(c3c[nH]c4ncccc34)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587521186 ASJJCWOGRNKYAQ-MHZLTWQESA-N 424.500 5.359 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)c(F)c1 587549591 RDRIETBRQHFOFE-FXAWDEMLSA-N 404.315 5.253 0 1 HKAF Cc1cc(C(F)(F)F)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550351 UYNJLYCBWHCPAD-WIYYLYMNSA-N 400.352 5.422 0 1 HKAF Cc1cc2cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)oc2cc1C 587619421 XSBRRHLBDSOWLK-RDGATRHJSA-N 400.430 5.632 0 1 HKAF CCCCc1c(-c2ccc(Br)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587648900 NWADFQSQTMRCOM-UHFFFAOYSA-N 406.345 5.344 0 1 HKAF COc1cc(C)c(Cl)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587691398 FMNIWQUEFDBMKO-NSPYISDASA-N 412.730 5.356 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cccc(Cl)c2)N1 587694860 AQRYIGQPFTYXEJ-MPBGBICISA-N 419.725 5.656 0 1 HKAF CC(C)[C@@]1(c2ccc(C(C)(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813899 QKVDESJVXFOUPE-WNSKOXEYSA-N 418.394 6.320 0 1 HKAF Cc1cc2cc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)oc2cc1C 587826213 DKICZKKKXARRCB-YEJXKQKISA-N 402.307 5.749 0 1 HKAF Cc1ccc(-c2csc3ncnc(-n4nc5cc4Oc4ccc(F)cc4-5)c23)cc1 587875428 GARRGQKDEIAKQV-UHFFFAOYSA-N 400.438 5.764 0 1 HKAF Cc1ccc(-c2csc([C@H]3CCCN(C(=O)OCc4ccccc4)C3)n2)cc1C 587920131 FZKHCNBASPRQAC-NRFANRHFSA-N 406.551 5.943 0 1 HKAF NCc1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)N(Cc1ccccc1)CCC3 653795348 ISPDQWWSQPWZQY-UHFFFAOYSA-N 413.952 5.967 0 1 HKAF CCOC(=O)CCCCCC[C@@]1(C(C)C)c2cc(OC)ccc2CCN1C(C)C 962085363 ABICTSPYVXBNMA-RUZDIDTESA-N 403.607 5.717 0 1 HKAF CCC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)c2cc(OC)ccc2CCN1C(C)C 962093231 SRSXIECXBBADQB-QHCPKHFHSA-N 419.487 5.593 0 1 HKAF Fc1ccc([C@H](c2ccccc2)[C@H]2c3ccsc3CCN2Cc2ccco2)cc1 962709927 KNRRLFDANBFPDT-LOSJGSFVSA-N 403.522 6.412 0 1 HKAF CC(C)(C)OC(=O)Nc1nccc(Cl)c1[C@H]1c2ccc(F)cc2C[C@H]2CCCN21 963117185 XUQMXMFDIYTROW-DNVCBOLYSA-N 417.912 5.331 0 1 HKAF CCSc1ccc([C@@]2(c3ccc(C(C)(C)C)cc3)NCCc3ccc(O)cc32)cc1 963341988 PPQNJRHQHVQHAL-HHHXNRCGSA-N 417.618 6.239 0 1 HKAF O=C1[C@@H](Oc2ccccc2)[C@H](c2ccc(Cl)cc2)N1c1nc2ccccc2s1 1772638916 JDCLCTKJYKZFMJ-PMACEKPBSA-N 406.894 5.485 0 1 HKAF C[C@H]1c2ccccc2N(Cc2ccc(F)c(F)c2)C[C@@H](C)N1C(=O)Nc1cccnc1 1772657169 FESPTXQLNNHGLK-SJORKVTESA-N 422.479 5.364 0 1 HKAF Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccc(C4CCNCC4)cc3)c2)s1 1857545575 CHUTZBVUMMIUSF-UHFFFAOYSA-N 420.534 5.141 0 1 HKAF CC(C)=CCCC(C)=CCC[C@H](C)[C@]1(C)CC[C@@H]2C1=CC[C@@H]1C(C)(C)CCC[C@]21C 2356507270 YURSMGRVNUWHIG-PDNUFJGTSA-N 410.730 9.674 0 1 HKAF C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 2356581391 UPFMAJNOHQYMSO-RMFOALOCSA-N 412.702 7.779 0 1 HKAF CCOC(=O)[C@H](C)CC[C@@H]1[C@H](C)C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1C(C)(C)CCC[C@]12C 2356614597 AOEYJVULCDXRBE-NXNACXQASA-N 404.635 6.440 0 1 HKAF C[C@H](C1=NC[C@H](C)CC1)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356662856 JMSRDKIFVZVAMX-RJTIXRBOSA-N 413.646 5.404 0 1 HKAF CC(C)CC=C[C@H]1C(=O)OC[C@]23CC[C@H]4[C@@H](C=CC5=C[C@@H](O)CC[C@@]54C)[C@@H]2CC[C@@H]13 2356743012 ULPXEYSCKDGTPP-PUBNEIEISA-N 410.598 5.458 0 1 HKAF CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)OC(C)=O)[C@@H]3CC[C@H]2C1 36386569 YIOKGGHYXBTRBA-POINOGDJSA-N 402.575 5.449 0 3 HKAF C/C=C(\C)[C@H](C/C=C(\C)C/C=C/C(C)=C/Cc1nc(OC)c(OC)c(O)c1C)OC 13310309 QTBUSGOHOPZBHZ-UYOAEFIGSA-N 415.574 5.866 0 1 HKAF c1ccc(-c2nc(NCCC(c3ccccc3)c3ccccc3)c3ccccc3n2)cc1 13445646 HQPGYRVHOIKOIE-UHFFFAOYSA-N 415.540 6.931 0 1 HKAF O=C(O)C[C@H](CCCCCCc1ccc2c(n1)NCCC2)c1ccc2c(c1)OCC2 13583231 XBHBFRSVZRSVIA-FQEVSTJZSA-N 408.542 5.126 0 1 HKAF c1ccc(C(CCOCCN2CCCCCC2)(c2ccccc2)c2ccccc2)cc1 13864169 FDLWHTCBKARIBB-UHFFFAOYSA-N 413.605 6.304 0 1 HKAF Cc1cc(O)c(C)c2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C=C2 14767643 UGGWLEJOHZBWFT-DQCZWYHMSA-N 414.674 8.612 0 1 HKAF biogenic,in-vitro COc1ccc(CN[C@H](CN[C@@H](C)c2cccc3ccccc23)Cc2ccccc2)cc1 26995581 ZGTKYTKCGFIPOM-NVQXNPDNSA-N 424.588 5.900 0 1 HKAF COc1ccc(CN2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 27198550 ZFRXKONKALZXTC-CLJLJLNGSA-N 415.533 5.426 0 1 HKAF CCS[C@@H](Cc1ccc2oc(Cc3nc(-c4ccccc4)oc3C)cc2c1)C(=O)O 27302817 DSGGNDMOVRMGCQ-QFIPXVFZSA-N 421.518 5.736 0 1 HKAF CNc1ccc(/C=C/c2cccc(/C=C/c3ccc(NC)c(OC)c3)c2)cc1OC 28949015 PWEUQLMRYPWBFP-GFULKKFKSA-N 400.522 6.128 0 1 HKAF CC(=O)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C 32296632 SRSDDLZWQZWBBZ-FFGFJAQXSA-N 424.669 7.166 0 1 HKAF CCc1nn(C2CCCC2)c2c1CCn1c(-c3ccccc3C(F)(F)F)nnc1-2 38447645 DICDEJDXIQKUPO-UHFFFAOYSA-N 401.436 5.061 0 1 HKAF CC(C)CNC(=O)c1ccc2c(c1)N=C(c1cccc(Cl)c1)c1ccccc1S2 40939789 VDDZJOLHLRDEQW-UHFFFAOYSA-N 420.965 6.360 0 1 HKAF CC(=O)Oc1c(Cl)c(C)nc(C)c1-c1ccc(Oc2ccc(Cl)cc2)cc1 45227186 SYRHMMRQDCWYTE-UHFFFAOYSA-N 402.277 6.390 0 1 HKAF CN(C)C12CCN(CCc3ccccc3)C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 58482631 ODTDMOVMBQWMEM-FSOBKABBSA-N 424.632 5.965 0 1 HKAF CC1(C)[C@H]2CC=C3[C@H](CC[C@@]4(C)[C@H](c5c[nH]c(C=O)c5)CC[C@]34C)[C@@]2(C)CC[C@H]1O 64379389 OSIJEJSDZVRPGU-CNSVLDHDSA-N 409.614 6.261 0 1 HKAF CC[C@H](Nc1ccc(-c2ccc(-n3cnc(C)c3)c(OC)c2)nn1)c1ccc(F)cc1 72173139 LLKYYJXLVHQNLT-FQEVSTJZSA-N 417.488 5.349 0 1 HKAF Clc1ccc(Sc2c(-c3ccc(Cl)cc3)[nH]c3ccc(Cl)cc23)cc1 72176050 CCXGURRYYVPGNO-UHFFFAOYSA-N 404.749 7.946 0 1 HKAF CN(CC(=O)OCCC1CCCCC1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 82085801 AJUCDBBWTXFFLZ-UHFFFAOYSA-N 420.962 5.049 0 1 HKAF Cc1cccc(-c2nc(NC3CCCC3)ncc2-c2ncc(-c3ccccc3)s2)c1 82167410 IAJNQJNHQXXUBG-UHFFFAOYSA-N 412.562 6.597 0 1 HKAF Cc1nc(-c2cnc(NC3CCCCC3)nc2-c2ccc(-c3ccccc3)cc2)oc1C 82176335 CBHJYUWJXJCZRE-UHFFFAOYSA-N 424.548 6.827 0 1 HKAF CN(C)[C@@H]1CC=C(/C=C2/CC[C@@]3(C)[C@@H](CC[C@@H]3c3ccc4ccncc4c3)C2)CC1 95559686 LSEOCERNOHMMFT-ZNJFYMFGSA-N 400.610 6.886 0 1 HKAF COc1ccc([C@@H](O)/C=C/c2coc3cccc(OCC4CCCCC4)c3c2=O)cc1 95593083 ANGDVNGZHOCRPF-GLBTYYSXSA-N 420.505 5.508 0 1 HKAF CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 96905789 GTHUJEBWJDTNCO-VWLOTQADSA-N 424.479 5.376 0 1 HKAF CC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1cccc(Br)c1 104004964 LLKREPMKLHGHOV-OAQYLSRUSA-N 411.299 5.625 0 1 HKAF O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4ccccc4F)c(F)c3F)nc12 144712635 BWIGFDAZMPXHOZ-UHFFFAOYSA-N 404.294 5.291 0 1 HKAF COc1ccc2c(c1)CCN[C@H]2CCCCCCC[C@H]1NCCc2cc(OC)ccc21 169327313 FPDUHVHKUZVGFI-MKPDMIMOSA-N 422.613 5.508 0 1 HKAF CC[C@H]1C(=O)N(C2CCN([C@@H]3CC[C@@H]4CCCc5cccc3c54)CC2)c2ccccc21 169341816 VPIVGIRSGLBSJH-NIRIFSCTSA-N 414.593 5.946 0 1 HKAF CC(C)(C)Nc1c(-c2cc(Cl)cc(Cl)c2)nc2ccc(C(F)(F)F)cn12 207020280 NBWWXTRHLDJUJO-UHFFFAOYSA-N 402.247 6.537 0 1 HKAF CC(C)(C)c1ccc(-c2cc3nc(-c4ccncc4)nc(NCCN)c3s2)cc1 223682257 HGLSWBQVUOUJCM-UHFFFAOYSA-N 403.555 5.088 0 1 HKAF N[C@H]1CCC[C@@H](c2cc3c(-c4cccc(NCc5cccc(F)c5)n4)ccnc3[n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c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 586998766 QQOKUXUEBCIJMU-JRMCHAMMSA-N 423.270 5.480 0 1 HKAF Cc1cc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2cc1Br 587022928 FPKQSXYFOJEJFR-UHFFFAOYSA-N 409.309 5.104 0 1 HKAF COc1cc(/C=C\c2nc3ccc(C(=O)O)cc3[nH]2)cc(Cl)c1OCC(C)C 587046534 INIBRQFATKGUBJ-DAXSKMNVSA-N 400.862 5.128 0 1 HKAF Nc1ccc(-c2ccc3[nH]c(-c4ccc(-c5ccccc5)c(Cl)n4)nc3c2)cc1N 587083862 PDBYGWHCXXQKEA-UHFFFAOYSA-N 411.896 5.777 0 1 HKAF FC(Br)(Br)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587086533 CKIJRANMASJRHL-UHFFFAOYSA-N 414.072 5.012 0 1 HKAF FC(F)(F)c1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c(Br)cn1 587114558 GDXBETDQSKQKGC-UHFFFAOYSA-N 411.996 5.108 0 1 HKAF Cc1ccc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(F)c1 587146435 LVSVZTBXPDQKTH-UHFFFAOYSA-N 411.274 6.019 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C)C[C@H]3c2ccccc2)c1 587365683 ILTPUJREWHTPCF-JPYJTQIMSA-N 419.524 7.371 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1F)(c1sccc1C)O2 587384460 DREZUTMZGDMZAU-OAQYLSRUSA-N 401.890 5.649 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cc(Br)c1O)CC2=O 587456282 MACYQXGKADZHRR-INIZCTEOSA-N 411.679 5.173 0 1 HKAF CCCC[C@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc(O)c(CCC)c2O1 587462585 PEFWTUJXYVYIQU-JOCHJYFZSA-N 407.337 6.702 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1nc3ccccc3n1Cc1ccccc1)CC2=O 587475726 OHVORMVVSABVOP-DEOSSOPVSA-N 412.489 5.449 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(N3CCC[C@@H](C)C3)ccc1N)CC2=O 587476475 PBVHPLRRCNPGQM-CPJLOUKISA-N 408.542 5.044 0 1 HKAF Cc1nc(-c2cccc(F)c2)sc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587503077 KRNLHSHGBRMIPM-DEOSSOPVSA-N 407.510 6.017 0 1 HKAF COc1ccc(Cn2nc(C)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 587514614 HONUYUHMISRYEG-XMMPIXPASA-N 416.521 5.142 0 1 HKAF CCCOc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCCC 587522331 LAPAYGIQCJMLIK-AREMUKBSSA-N 408.538 6.024 0 1 HKAF CC(C)CCS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533793 WELWWXOXMKFZQA-QHCPKHFHSA-N 412.551 5.092 0 1 HKAF Cc1cc(C(F)(F)F)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550349 UYNJLYCBWHCPAD-NQIIRXRSSA-N 400.352 5.422 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C(c1ccccc1)c1ccccc1 587602015 HVLBVTVQMHARDU-RPLLCQBOSA-N 408.453 5.555 0 1 HKAF CC[C@]1(C23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604150 UPMQEHQHSBVAJG-ZNEPBNEGSA-N 404.506 5.719 0 1 HKAF C[C@H](CC(=O)O)c1c(-c2ccc(Br)cc2)[nH]c2ccc(F)c(Cl)c12 587628649 QCHKNUQCSDVUNK-SECBINFHSA-N 410.670 5.968 0 1 HKAF Cc1cccc(Br)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587677875 MIBPCEFTDZZLJH-BTDLBPIBSA-N 413.128 5.283 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(O)cc2Cl)N1 587693161 MJJUSZWVUKOLJI-GYKQLYQFSA-N 405.094 5.224 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3ccnc3)cc2Cl)N1 587699373 XASXCYJRYFKGEI-WYRIXSBYSA-N 420.713 5.051 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1C(F)(F)F 587712620 PUTRRIUDCWLXPX-BMLIUANNSA-N 402.229 5.539 0 1 HKAF CC(C)[C@@]1(c2ccc(OCCF)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587713227 CMOUFCKYSNPVIL-QKKBWIMNSA-N 424.329 5.370 0 1 HKAF CCCC[C@@]1(c2ccc3c(c2)OCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 587831958 ANMVORCBKYAJBI-ZSEKCTLFSA-N 420.322 5.285 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccs3)cc2)N1 587852853 NOTQQIKRUMBUJH-YUNKPMOVSA-N 402.332 5.940 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccsc3)nc2)N1 587853480 NJAGTRQWLSBJJQ-WLRWDXFRSA-N 403.320 5.335 0 1 HKAF Cc1ccc(-c2ncc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 587853503 NOTFBTCFPJQJPO-BUXKBTBVSA-N 417.347 5.644 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc2ncccc12 587865088 USHCBALOBOGFMC-UHFFFAOYSA-N 411.383 5.204 0 1 HKAF CC(C)Cc1ccc([C@H](C)C(=O)NCCCC(=O)Nc2cccc(Cl)c2)cc1 653779467 REWPFAMTLYODGJ-KRWDZBQOSA-N 400.950 5.177 0 1 HKAF C[S@@](=O)c1ccc([C@@H](CC2CCCC2)c2[nH]c3ncccc3c2Cl)cc1Cl 653780439 DKRAUWFHWZEQMO-CHAGWJKLSA-N 421.393 6.319 0 1 HKAF CC(C)c1cc(O)ccc1[C@@H]1c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961779516 TZKCOTWKTPAXDN-DEOSSOPVSA-N 422.569 5.756 0 1 HKAF Cc1c(F)ccc2c1[C@](c1cccc(Oc3ccccc3)c1)(c1ncco1)NCC2 962373063 IJTNWSVIQPUXOJ-RUZDIDTESA-N 400.453 5.352 0 1 HKAF Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2NCCc3cc(-c4ccccc4)ccc32)cc1 962668332 NKMACKPNVFSIPA-PMERELPUSA-N 414.552 7.045 0 1 HKAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](c2ccc(Cl)cc2)(c2ccccc2Cl)N1 962899150 QKMUXDOVGQWPLK-SIKLNZKXSA-N 416.279 5.023 0 1 HKAF CSc1cccc([C@]2(c3cc(F)ccc3F)NCCc3c2sc(C)c3C)c1 963007072 FZBYZGFBQOAMPI-JOCHJYFZSA-N 401.547 5.803 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1ccc(-c2cccc(C(=O)O)c2)cc1 963062868 XXCAAMCYIAMFIR-HHHXNRCGSA-N 424.500 5.018 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1cccc(Cl)c1)c1ccc(C)c(C)c1 963609493 NJOPOGQUSFPONI-QYBDOPJKSA-N 421.968 5.800 0 1 HKAF COc1ccc(OC)c2c1C[C@@H](C)NC2(/C=C/c1ccccc1)/C=C/c1ccccc1 963634122 JMLQOIRDZXYCPT-YWTYIKLYSA-N 411.545 5.860 0 1 HKAF COc1cc(N[C@@H](C)CCCNC(=O)Nc2cccc(Cl)c2)c2ncccc2c1 1772600368 BDJLSDYAAHWPAU-HNNXBMFYSA-N 412.921 5.299 0 1 HKAF CCOC(=O)c1ccc(-c2c(C)nc3c(OCc4ccccc4C)cccn23)cc1 1857538546 RSQXJDWBULZJBI-UHFFFAOYSA-N 400.478 5.374 0 1 HKAF CC(C)c1cc(-c2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)n[nH]1 1857554461 REXPOXWKEKDBDY-UHFFFAOYSA-N 422.838 6.516 0 1 HKAF Cc1cccc(NC(=O)CSc2nnc(CCCc3c[nH]c4ccccc34)o2)c1C 1911579039 FRRMQOAPJAKRFS-UHFFFAOYSA-N 420.538 5.074 0 1 HKAF CC(C=C[C@@]1(C)[C@H](C)C(=O)CC[C@H]1C)=CCc1c(O)c(Cl)c(C)c(C=O)c1O 2356478792 SETVRSKZJJWOPA-GTAYFMOCSA-N 404.934 5.559 0 1 HKAF CC(=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)[C@H](C)C(C)C 2356515368 MGWRVECYAHBEFQ-KUWRYKAQSA-N 412.702 7.801 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1C[C@H](C)[C@H]2[C@@H]3CC[C@H]4C(C)(C)CCC[C@@]45C[C@]35CC[C@]12C 2356551989 YWQSXCGKJDUYTL-CDEPNZKNSA-N 410.730 9.054 0 1 HKAF O=C(O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCCCCCc4ccc(O)cc4)[C@@H]4C=C[C@@H]1[C@@H]2[C@@H]43 2356673750 OMHJQGZJZUFMMT-VBJVOSJISA-N 406.566 5.846 0 1 HKAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](c3cc(C(F)(F)F)n[nH]3)CC[C@H]12 261177055 VDGOOKRFIJJCSX-PDPNEWPVSA-N 410.524 5.916 0 3 HKAF CC1(C)CCc2cc3c(cc2O1)OC(C)(C)[C@H]1c2c(ccc4c2CCC(C)(C)O4)O[C@H]31 1617587 RBXIIYKLGLKWAW-BJKOFHAPSA-N 420.549 6.282 0 1 HKAF O[C@H](CN(Cc1cccc(Oc2ccccc2)c1)c1cccc(F)c1)C(F)(F)F 13490883 CIHVNYOIDZBRGS-OAQYLSRUSA-N 405.391 5.548 0 1 HKAF COc1cc2c(cc1CC=C(C)C)C[C@@H](c1ccc(O)c(CC=C(C)C)c1O)CO2 13515383 MVAUGMLUJKTORM-HXUWFJFHSA-N 408.538 5.843 0 1 HKAF biogenic CC[C@@H](C)CCCCCCCCCCCCc1cc(O)cc(OS(=O)(=O)O)c1 14592799 RWDARASLUJPOMS-LJQANCHMSA-N 414.608 6.454 0 1 HKAF biogenic CC1(C)C=Cc2cc(-c3cc4cc5c(cc4o3)OCO5)c3c(c2O1)C=CC(C)(C)O3 15205991 YQLBHQWZBYDSHX-UHFFFAOYSA-N 402.446 6.197 0 1 HKAF biogenic CC(C)N(C(=O)[C@@H]1C[C@H]2CC[C@@H]3[C@@H](CC[C@@]4(C)[C@@H]3CCC(=O)N4C)[C@@]2(C)C1)C(C)C 27986219 VMAUAPIAAHKASV-ZNJZWBQQSA-N 416.650 5.111 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3C=Cc4cc(C(=O)O)ccc4[C@@H]3CC[C@]12C)C(C)C 28090745 UNTVUXKLSQXPLR-AIDKGEFFSA-N 409.570 5.583 0 1 HKAF Nc1cc(N)c2nc(-c3ccccc3)c(Sc3ccc(Cl)c(Cl)c3)nc2c1 40410373 XISMPHFRKUSUAZ-UHFFFAOYSA-N 413.333 5.919 0 1 HKAF COc1cc(/C=C\Cc2cc(O)c3cc(-c4ccccc4)oc3c2)cc(OC)c1OC 40565776 PLWKMJHOHRKSGA-CLFYSBASSA-N 416.473 6.087 0 1 HKAF Cc1ccc(CNC(=O)OC(C)(C)C)cc1C(=O)N[C@H](C)c1cccc2ccccc12 43017739 WFKRNMAWGCVMCU-GOSISDBHSA-N 418.537 5.664 0 1 HKAF FC(F)(F)c1ccc(-c2nc(CNc3ccc(Oc4ccccc4)cc3)co2)cc1 72101713 HQKMYZGPPAIPRP-UHFFFAOYSA-N 410.395 6.765 0 1 HKAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1C[C@H](F)CN1C(=O)c1cncs1 72176694 OBUVCWPZKZGURL-YJBOKZPZSA-N 401.894 5.092 0 1 HKAF O=C(NCc1ccncc1)c1ncoc1-c1ccc(Oc2ccccc2)c(Cl)c1 73298441 SDVYNDQTJXGRQO-UHFFFAOYSA-N 405.841 5.112 0 1 HKAF COc1cccc([C@H](O)c2nnc(Nc3cccc(Oc4ccccc4)c3)s2)c1 82078533 JNHJVKAGQCIPGN-FQEVSTJZSA-N 405.479 5.164 0 1 HKAF CCC[C@@H](C1CC1)n1c(=O)c(C)nc2c(-c3ccc(Cl)cc3Cl)ccnc21 84672494 NLZBSIOTBMXFKJ-SFHVURJKSA-N 402.325 5.825 0 1 HKAF Nc1nccc2c1ccn2-c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 84714093 CCPQGGSPSMGREW-UHFFFAOYSA-N 412.280 5.559 0 1 HKAF CCCCC/C=C\C/C=C\CCCCCCCCOCC(=O)COP(=O)(O)O 96095600 WIKTZNNDPBWNFJ-HZJYTTRNSA-N 418.511 5.495 0 1 HKAF in-vitro Fc1ccc(N(Cc2nc3ccccc3[nH]2)Cc2ccc(Cl)cc2Cl)cc1 96922631 NMLMUTGJPYOIRV-UHFFFAOYSA-N 400.284 6.216 0 1 HKAF COc1ccc(CN2[C@@H]3CCC[C@@H]2CC(OC(=O)Nc2cc(C)ccc2OC)C3)cc1 101190916 HAXQRKHECWFMGM-WOJBJXKFSA-N 424.541 5.146 0 1 HKAF O=C(Nc1ccc(F)cc1)c1ccc(SCc2ccc(-c3ccsc3)cc2)nc1 145223104 XTCZITXLNWHOBV-UHFFFAOYSA-N 420.534 6.494 0 1 HKAF C[C@H]1CCCC(=O)N[C@H](c2ccccc2)[C@H](C)CCCC(=O)N[C@H]1c1ccccc1 169351626 VXISWQYLXNBKND-CVFFRKHJSA-N 406.570 5.328 0 1 HKAF CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccsc2)[C@H]2C(=O)CC(C)(C)CC2=N1 169690632 AREMHURATKVOOF-LEWJYISDSA-N 410.514 5.343 0 1 HKAF Clc1cnc2[nH]c([C@@H]3CCCNC3)cc2c1-c1ccnc(NCc2ccccc2)c1 226047867 JGGDNGJUYIVCRF-GOSISDBHSA-N 417.944 5.357 0 1 HKAF CC1(C)CC[C@H]2C(=CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)C1 238769150 OBHWNKUWFZOSIH-UEPLPWSWSA-N 412.702 7.779 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 261113615 IKIJKOANNGAZST-TYKWCNGQSA-N 412.549 6.584 0 1 HKAF CCCCNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccccc2F)n1 299878530 JFSQJLUSRGTJBT-DCTVWTRXSA-N 424.564 5.295 0 1 HKAF N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 586984863 VOAPOJMSPQLRBH-LBPRGKRZSA-N 416.266 5.180 0 1 HKAF Cc1ccc2c3c(cc(CC(=O)NC4CCCCCCC4)nc13)-c1ccccc1C2=O 586998263 ZHTLTMBUSOBYRF-UHFFFAOYSA-N 412.533 5.526 0 1 HKAF c1ccc(COc2ccc3nc([C@@H]4CS[C@H](Cc5ccccc5)N4)[nH]c3c2)cc1 587041291 MNBAXNMOSGCUFV-XZOQPEGZSA-N 401.535 5.088 0 1 HKAF COc1cc(/C=C/c2nc3ccc(C(C)(C)C)nc3[nH]2)cc(Cl)c1OCC(C)C 587046780 MBVSEIAKJJINJD-JXMROGBWSA-N 413.949 6.123 0 1 HKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587062289 QRCYKVOIUOHMDU-ZDUSSCGKSA-N 405.203 6.298 0 1 HKAF COc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1F 587071859 QSJHWISVKXRIRI-HNNXBMFYSA-N 419.884 5.173 0 1 HKAF FC(F)(F)CSc1cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)ccn1 587093486 NMTBTJVRPOLSLY-UHFFFAOYSA-N 417.481 6.431 0 1 HKAF CCCCCC[C@H](C(=O)OCC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106598 MDYQQSJNQRNFLP-IBGZPJMESA-N 401.506 6.063 0 1 HKAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(Cl)cc(F)c4[nH]3)c(F)c2)c1 587138179 BHOISAFVYAXJAB-UHFFFAOYSA-N 402.759 5.666 0 1 HKAF COc1cc(-c2nc3cc(F)c(F)c(F)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143303 ANZJZHABKPHRSC-UHFFFAOYSA-N 416.330 5.160 0 1 HKAF Fc1ccc2c(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)coc2c1 587175446 SKUCGBVERCRXIE-UHFFFAOYSA-N 415.140 5.776 0 1 HKAF Cc1c(Br)cc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1C 587232834 BTBMWJWHQHYXHJ-UKRRQHHQSA-N 422.367 5.493 0 1 HKAF Cc1cccnc1[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587335586 HQOCSRDIYHSTRH-XZLZDHACSA-N 417.480 5.690 0 1 HKAF C[C@@]1(CCCCCCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348045 CACYXIGJSSGQLQ-GMAHTHKFSA-N 400.446 5.074 0 1 HKAF C[C@]1(c2ccc3cccc4c3c2CC4)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349221 BISWLLKUULQRGT-IXCJQBJRSA-N 424.471 6.057 0 1 HKAF CCOc1ccc([C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587352479 OLWSXHKVXSWGGR-RSXGOPAZSA-N 418.464 5.594 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCc3ccc4ccccc4c32)[C@@H]1c1ccc(F)cc1 587355156 TWEFSUKIQYZPAI-VPUSJEBWSA-N 410.444 5.885 0 1 HKAF Brc1ccc(-c2nc3c(s2)-c2nc4cccc5c4c(c2CC3)CC5)cc1 587359970 KKPRLNMMYVJGKT-UHFFFAOYSA-N 419.347 5.985 0 1 HKAF COc1cccc(-c2cc(-c3cnc4ccccc4n3)nc3c2oc2ccccc23)c1 587363224 PGZIJIKAELQVOA-UHFFFAOYSA-N 403.441 6.267 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C)C(C)(C)[C@H](C(=O)O)C3)c1 587366844 QVQFXNVOXCCMPO-KUHUBIRLSA-N 415.489 6.043 0 1 HKAF COc1cccc(COc2cccc(Cl)c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587375377 LSQGLSGTSKTAHQ-JOCHJYFZSA-N 423.896 5.525 0 1 HKAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(Cl)cc1 587379994 NMXSTGRYBJFPOP-HSZRJFAPSA-N 423.896 5.525 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(F)cc3)nc3c(C)cccn13)O2 587384031 JELFJCGTTOLWRC-HXUWFJFHSA-N 401.441 5.046 0 1 HKAF COc1cc2c3c(c1)O[C@@](Cc1ccc(Cl)cc1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587428727 OTYWGYRHAGPJON-RDPSFJRHSA-N 408.856 5.373 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C(=O)c1ccccc1)(c1ccc(C)c(C)c1)CC2=O 587491627 XTWUBKVJXOYOMJ-MHZLTWQESA-N 414.501 5.705 0 1 HKAF O=C1C[C@H](c2cc(Cl)ccc2OCc2ccccc2)Oc2c1ccc1c2CCCC1 587497300 AEABSDNCASGBLA-RUZDIDTESA-N 418.920 6.504 0 1 HKAF COC(=O)c1ccc(-c2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2)cc1 587515197 LRZFVFVCMWOSTR-DEOSSOPVSA-N 413.473 5.121 0 1 HKAF CCOC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587531853 IHJANGFHPLEBJX-DEOSSOPVSA-N 416.473 5.709 0 1 HKAF C[C@]1(c2c(Cl)ccc(F)c2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552577 AVRFLNSXQCNCKY-DYESRHJHSA-N 419.235 5.715 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccn1)C1CCCCC1 587585843 GTVSFKZAZBRKOA-RDGATRHJSA-N 401.462 5.225 0 1 HKAF Cc1ccc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587600377 BFNWDVFTFWJLPS-SHQCIBLASA-N 408.453 6.071 0 1 HKAF CSc1ccc2c(c1)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611589 GREPLQWZQTTXFP-URXFXBBRSA-N 404.487 5.308 0 1 HKAF CC1(C)CCc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2O1 587616637 LLZTZEDVPTXXQL-QPPBQGQZSA-N 402.446 5.199 0 1 HKAF CCc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2ccc(C)cc12 587616829 MKFAXGKGWWLWJP-ATIYNZHBSA-N 414.457 5.886 0 1 HKAF COc1ccc2occ([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 587616867 NAMBAGAAOZDEGK-XUZZJYLKSA-N 402.402 5.024 0 1 HKAF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 587624235 HCZCNVHODIGVFL-UHFFFAOYSA-N 401.215 6.363 0 1 HKAF CCOC(=O)c1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2ccc(F)c(Cl)c12 587631718 JPYKXGYFFGACMO-GFCCVEGCSA-N 424.900 5.252 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(O)cc2Cl)N1 587698617 ZELKXGUUROZWPW-HYORBCNSSA-N 405.094 5.224 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccc(F)cc2)N1 587737457 XSNRFXXWZHTYKO-WHEQGISXSA-N 414.293 6.018 0 1 HKAF CCC[C@@H](CC1(c2nc3ccc(Cl)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782320 RZFZAOMKHIBXEH-IBGZPJMESA-N 424.972 6.578 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(C)(C)C)[nH]c3ccccc23)N1 587790126 HPIHDOOBPAXEPA-MPBGBICISA-N 415.350 5.991 0 1 HKAF Cc1[nH]c2c(C)ccc(C)c2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587802132 KBGNMDRFCFDBFO-LAJNKCICSA-N 401.323 5.618 0 1 HKAF CC(C)[C@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 587805291 SZTWKPXZVYDRJR-ASSNKEHSSA-N 401.323 5.503 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](OCc3ccccc3)C2(C)C)N1 587813289 UEROWOVWCPKLSZ-VQUVXCFPSA-N 418.350 5.333 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)CCc3ccccc32)N1 587822866 MZKXGWREFICOFT-RCDICMHDSA-N 402.351 5.729 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc3ccccc3o2)(C(C)(C)C)N1 587831762 YFLQWBOEFUWHOC-DMZKTXOQSA-N 416.334 6.158 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3)s2)N1 587847324 KJDYJJMSXCYPJM-YUNKPMOVSA-N 402.332 5.940 0 1 HKAF Cc1noc2nc(-c3cccs3)cc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)c12 587876656 STVROEUSLYAPMI-UHFFFAOYSA-N 418.409 5.057 0 1 HKAF CCC[C@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C(C)C 587956193 ZPUFARJODFQXDK-INIZCTEOSA-N 401.348 6.444 0 1 HKAF O=C(CSc1cccc(O)c1)Nc1ncc(Cc2cccc3ccccc23)s1 653706305 BLIRTTVFJHDNNN-UHFFFAOYSA-N 406.532 5.324 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(C)c1cc2ccccc2[nH]1 961781309 XEDFXGBCTNDLAP-AREMUKBSSA-N 417.553 5.583 0 1 HKAF COc1ccc2c(c1)[C@H](c1c(C)nn(-c3ccc(Cl)cc3)c1C)N(C(C)C)CC2 962092947 RPBWPXFNQGRUNI-XMMPIXPASA-N 409.961 5.507 0 1 HKAF CC(C)C[C@H](c1ccccc1)[C@@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962702692 SMJJOMAGHWTLFX-XPGWFJOJSA-N 409.423 5.314 0 1 HKAF CC[C@H](C)C[C@@]1(c2ccc(C3OCCO3)s2)N[C@@H](CC)Cc2c1[nH]c1ccccc21 962944206 HFLGYHMRWCEJPD-TZPNTHKFSA-N 424.610 5.879 0 1 HKAF Cc1ccnc2c1CCN[C@]2(c1cccc(CN2CCCC2)c1)c1ccccc1Cl 963070046 DZLUSXVBMBOSFF-AREMUKBSSA-N 417.984 5.077 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccc(OC(F)F)c(OC2CCCC2)c1 963222776 CUKUALVHCYPGCM-XDHUDOTRSA-N 415.524 6.355 0 1 HKAF Clc1ccc2nc(N3CCc4c([nH]c5ccc(Br)cc45)C3)sc2c1 1857613959 WFMGFSFACBPQEQ-UHFFFAOYSA-N 418.747 5.756 0 1 HKAF CC(=O)c1cccc(-c2cnc3cnc(-c4ccc(CNc5ccccc5)cc4)cn23)c1 1857617257 MBYKOJLXFGPJDH-UHFFFAOYSA-N 418.500 5.878 0 1 HKAF O=C1C[C@@H](c2ccc(-c3nnc(-c4ccccc4Cl)o3)cc2)Oc2ccccc21 1911583026 RKGMKFWNZIKNNL-NRFANRHFSA-N 402.837 5.764 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C=C(C(=O)O)[C@H](CCc2ccoc2)[C@]2(C)CCCC(C)(C)[C@H]12 2356655392 DJGJPNDCXJTXRM-PDFGSZSQSA-N 414.542 5.564 0 1 HKAF CO[C@@H]1CC[C@]2(C)C(CC[C@H](C)CCOC(C)=O)=C(C)[C@@H](OC(C)=O)C[C@H]2C1(C)C 2356756427 DXDXHGPOYKHGNN-ILLQCITISA-N 422.606 5.465 0 1 HKAF CC(C)CCC[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21CO 2356784955 QTQKNZXEFYEVDA-MWOBXYEVSA-N 418.662 5.764 0 1 HKAF CC(C)(C)c1noc(-c2ccoc2)c1C(=O)NCc1cccc(OC(F)(F)F)c1 775898 LDLDGHSMKWDURI-UHFFFAOYSA-N 408.376 5.061 0 1 HKAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCCc1ccc(CC)cc1 2483676 UPWYGZBSPCYFQC-UHFFFAOYSA-N 420.553 5.573 0 1 HKAF O=C(CCc1ccccc1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc(Cl)cc1 8600106 FYLLRPLEHBUBPA-AREMUKBSSA-N 414.936 5.928 0 1 HKAF aggregator COc1c(-c2c(C)cc(OC)c3c(OC)cccc23)c(O)cc2c1[C@H](C)N[C@H](C)C2 13359032 RPYYNECGOSGRFR-CABCVRRESA-N 407.510 5.142 0 1 HKAF biogenic CCc1ccccc1C(=COCCN1CCC[C@@H](C(=O)O)C1)c1ccccc1CC 13800099 POIQWOVQJHZXQH-JOCHJYFZSA-N 407.554 5.014 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C)C[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 13864666 XUTZDXHKQDPUMA-APYFDJFPSA-N 415.706 7.174 0 1 HKAF O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCO 14454631 GGDUSUKUCOFETL-UHFFFAOYSA-N 412.699 8.426 0 1 HKAF biogenic,in-vitro FC(F)(F)c1cc(COC[C@]2(c3ccccc3)CCCN2)cc(C(F)(F)F)c1 26663558 HOJXDVPSQSRWNU-SFHVURJKSA-N 403.366 5.520 0 1 HKAF CCCCCC(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1 28335367 POLHMQVYTXKMPM-UHFFFAOYSA-N 418.522 5.208 0 1 HKAF CCN(CC)CCOCCCCCCCCCCCCOCCN(CC)CC 28865233 CVADDNMESAEFDK-UHFFFAOYSA-N 400.692 5.604 0 1 HKAF O=C(O)c1cccc(-c2cnc(C(=O)CCc3ccc(Oc4ccccc4)cc3)o2)n1 29135774 OBWHVJOVCOXSAT-UHFFFAOYSA-N 414.417 5.043 0 1 HKAF Cc1ccc(C(=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)c2ccc(C)cc2)cc1 29544539 QOSBWTPYDSLSLM-ZQRDMSKRSA-N 424.588 6.214 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 34024323 JZVFJDZBLUFKCA-LDJJICPCSA-N 412.702 7.801 0 1 HKAF N[C@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 36324267 TZYWVNRQPJYYMS-OKZBNKHCSA-N 403.366 5.514 0 1 HKAF O=C(O)c1ccc2cc(-c3ccc(O)c([C@H]4CC[C@@H]5CCCC[C@H]5C4)c3)ccc2c1 40863369 KSIXWQINPZPMLI-BSRJHKFKSA-N 400.518 6.985 0 1 HKAF CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Nc1cc(F)ccc1C 40933918 WZAIWTPZFGYJLI-OAQYLSRUSA-N 418.556 6.819 0 1 HKAF C[C@H](CN(C)C)C(=O)Nc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1 45195649 JUKUQSFRRRGTHK-OAHLLOKOSA-N 404.539 5.095 0 1 HKAF CCN(CCCN1CCCCC1)c1cc(C)nc(Nc2ccc(C(F)(F)F)cc2)n1 45302498 OELXHXXXXDCMFA-UHFFFAOYSA-N 421.511 5.250 0 1 HKAF CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(-c3cc(F)cc(F)c3)ccc21 58538447 HLEYPFUJALMVDA-RUZDIDTESA-N 411.467 5.887 0 1 HKAF CO[C@H]1CCCCCCCCC[C@@H](C)OC(=O)[C@H](Sc2ccccc2)CC1=O 72175319 SDISEYVTWQNHCA-BVYCBKJFSA-N 406.588 5.578 0 1 HKAF O[C@H](c1ccc(Cl)cc1)c1nnc(Nc2cc(C(F)(F)F)ccc2F)s1 82078043 ZOFZODKUASQIPT-CYBMUJFWSA-N 403.788 5.175 0 1 HKAF CCCCCNC(=O)[C@H](CC(C)C)Nc1nc(-c2ccc(C(C)C)cc2)cs1 82195950 YOLQIOBDJBNJGF-FQEVSTJZSA-N 401.620 6.067 0 1 HKAF Cc1ccc2c(c1)S[C@H](c1ccccc1)[C@@H]1C(=N2)c2ccccc2[C@H]1c1ccccc1 95562949 KDQIDXUBKCXTBC-IUAQSZDVSA-N 417.577 7.725 0 1 HKAF CO[C@@]1(C(C)C)C=C2[C@H](OC(C)=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)COC(C)=O)[C@H]2CC1 95910464 AJRWAVGXZFZZSG-YCBFDDBMSA-N 420.590 5.075 0 1 HKAF biogenic,in-vitro O=C(O)c1cc2ccc(-n3c(S)nnc3-c3cc(Cl)cc(Cl)c3)cc2s1 96273200 BZFPTCOLSLHEBW-UHFFFAOYSA-N 422.318 5.443 0 1 HKAF c1ccc(CSc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)cc1 96939320 KUAMNBCROQDWMB-UHFFFAOYSA-N 404.643 7.560 0 1 HKAF Fc1cccc(F)c1[C@@H]1CC(c2ccccc2)=NN1C1=N[C@@H](c2ccccc2)S1 98083942 KACHUZFVJUVDJM-RBBKRZOGSA-N 405.473 5.918 0 1 HKAF COc1cccc2c1O[C@@H](CN1[C@H]3C=C(c4cccc5ccccc45)C[C@H]1CC3)CO2 100984891 ZIQRGFPFGAMDTI-VSKRKVRLSA-N 413.517 5.309 0 1 HKAF C1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@@H]1N2CCOc1cccc2ncccc12 101019806 CNRWYKRQNMMFHH-DQEYMECFSA-N 406.529 6.087 0 1 HKAF CCc1sc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC)cc1Br 103873424 AXCGMENXAVDHHH-KRWDZBQOSA-N 410.333 5.054 0 1 HKAF COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccsc4)C3=C(O)C2)cc1 103940361 IRSNEXHJQIEMBX-BXKMTCNYSA-N 402.519 6.386 0 1 HKAF CC(C)Oc1cc(F)cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 140215938 ACALNZBAXMJCAY-UHFFFAOYSA-N 414.484 5.222 0 1 HKAF C[C@H](Nc1nccc(N2C(=O)OC[C@H]2c2ccccc2)n1)c1ccc2ccccc2c1 142053105 OOULKJKKWRKOSP-JTSKRJEESA-N 410.477 5.501 0 1 HKAF O=C(Nc1ccc(F)cc1)c1ccc(SCc2ccc(-n3cccc3)cc2)nc1 145223553 WWWHDIJQWIWOON-UHFFFAOYSA-N 403.482 5.556 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCCC(=O)N1Cc1cccc(-c2cccnc2)c1 167764904 SGVBPEZWAYENNY-JOCHJYFZSA-N 416.521 5.410 0 1 HKAF CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C[C@@]2(O)c1ccnn1C 169293829 HEESPKVKRSKCJE-XVTZWQNCSA-N 400.563 5.243 0 1 HKAF CC(C)CC[C@@H](O)[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4CCCC[C@]4(C)[C@H]3CC[C@@]21C 169684330 XIRMANMWPYJKKT-MTQMJBMOSA-N 402.663 6.504 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@H]2/C(=C/c3occ4c3C[C@H](O)CC4)CCC[C@@]12C 195154372 JDORDYYPUXBNLV-MCLZTFORSA-N 414.630 6.306 0 1 HKAF C[C@H]1CCC[C@]2(C)CC[C@]3(C)[C@H](C=C[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 205547684 INZYDYJREHWAIL-OVTZBHJPSA-N 412.702 7.635 0 1 HKAF CC(C)=CCC/C(C)=C/C/C=C(\C)[C@H]1CC[C@@H]2[C@@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@@]12C 473128136 YRLSPFMOGLJPJU-RFDIIPGASA-N 424.713 8.853 0 1 HKAF CC1=N[C@@H](C)C(=O)N(Cc2ccc(C3CCCCC3)cc2)c2cc(C(=O)O)ccc21 473151842 RMWFJCDVBQVPLQ-KRWDZBQOSA-N 404.510 5.177 0 1 HKAF O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cncnc6[nH]5)c34)c12 586883429 JQODQFNHHNRVSH-UHFFFAOYSA-N 416.440 5.692 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2nc(Cl)c[nH]c-2n1 586981731 NAORVJDNSIHQBE-UHFFFAOYSA-N 409.715 5.347 0 1 HKAF Sc1nc(S)c2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2n1 587015896 XBYWNWHEIMIEKP-UHFFFAOYSA-N 412.352 5.028 0 1 HKAF Fc1cc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2cc1F 587020433 AUHSGVXOUGZUES-UHFFFAOYSA-N 405.433 5.770 0 1 HKAF COC(=O)c1ccc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2n1 587072020 ORFVQLOIFPJZOB-NSECZPHNSA-N 416.308 5.417 0 1 HKAF CC(C)(C)c1ccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2c1 587082432 NYPLMWQKQHZSTA-UHFFFAOYSA-N 411.936 7.396 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cnn(-c4ccccc4Cl)c3)nc3cccc1c23 587103741 KSXWUKHWQIOVLO-UHFFFAOYSA-N 407.860 5.952 0 1 HKAF Fc1cccc(C2(F)CC(c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)C2)c1 587131726 SHQRIODTHVKPCA-UHFFFAOYSA-N 402.750 5.996 0 1 HKAF Fc1cc(Br)c2[nH]c([C@@H](Nc3ccccc3)c3ccccc3F)nc2c1 587149830 MOXWYSNBFRIIHT-SFHVURJKSA-N 414.253 5.805 0 1 HKAF CC(C)Oc1ccc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2c1 587154128 JOVNDSHYBUPSIA-UHFFFAOYSA-N 419.456 5.174 0 1 HKAF C[C@@H](CSc1ccc(F)cc1)c1nc2cccc(I)c2[nH]1 587170356 PILHNUPFKQRQFB-JTQLQIEISA-N 412.271 5.202 0 1 HKAF C[C@@]1(c2c(F)ccc(F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332595 LWPROIMPJVDAKT-PGRDOPGGSA-N 402.343 5.223 0 1 HKAF CC1(C)[C@H](Oc2ccccc2)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587348892 AZSWIHOQXPUAEF-MVERNJQCSA-N 418.464 5.507 0 1 HKAF COc1cccc(-c2cc(-c3cc(C(F)(F)F)nn3C)nc3c2oc2ccccc23)c1 587360960 WCOCKWOEBCWVOU-UHFFFAOYSA-N 423.394 6.076 0 1 HKAF COc1cccc(-c2c(CCC(C)C)c(-c3ccccc3)nc3c2oc2ccccc23)c1 587365407 KLLJFINHNZWICI-UHFFFAOYSA-N 421.540 7.912 0 1 HKAF C[C@]1(c2cc3ccccc3s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587376968 ZIKYWFJIQLNCGC-ISKFKSNPSA-N 404.462 6.020 0 1 HKAF CCN(CC)c1ccc([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587387209 OIMVYLYYHSTFDV-SANMLTNESA-N 400.522 5.332 0 1 HKAF COc1ccc([C@@]2(C=C(SC)SC)CC(=O)c3cc(C)cc(N)c3O2)cc1 587410696 WIDMVYWURTYDDX-NRFANRHFSA-N 401.553 5.014 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(C)cc(CN4CCCC[C@H]4C)c1C)[C@@H](C2)C3=O 587434569 ARVAMANDXKNJAV-XRWSKCOISA-N 405.538 5.175 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1ccc(F)cc1)(c1ccc(F)cc1)CC2=O 587466499 LQEJDZMEFTUVED-VWLOTQADSA-N 408.444 5.726 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCc3ccccc3F)c1)CC2=O 587466695 MFIKXGMDHPJSLB-DEOSSOPVSA-N 406.453 5.769 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21 587470438 NGEFZXBHRYXTHI-CLOONOSVSA-N 423.509 5.175 0 1 HKAF C[C@]1(Cc2cc(F)ccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587508519 ZARBLAGWIPLPMZ-NRFANRHFSA-N 403.291 5.434 0 1 HKAF CC[C@]1(c2ccc(OCCCCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587524572 SCLUTJLQJCGWFD-AREMUKBSSA-N 422.521 5.470 0 1 HKAF C[C@]1(c2ccccc2-c2ccc(C(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587531304 YBDHZMRKDRTKQW-HHHXNRCGSA-N 412.485 5.811 0 1 HKAF C[C@]1(c2ccccc2OC(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557970 UHPORPKJESHXKJ-WIYYLYMNSA-N 416.351 5.168 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1c2[nH]c2ccc(F)cc12 587573533 ZFFWESLNXJDXPU-PXDATVDWSA-N 415.420 5.206 0 1 HKAF Cc1ccccc1-c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 587615070 VJSSSGFDRBDQKE-OFNKIYASSA-N 415.470 5.527 0 1 HKAF Cc1ccc(C)c(NC(=S)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587661662 QZNOYAJPBUZPPP-UHFFFAOYSA-N 403.482 5.065 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(Br)c2)N1 587679305 MVXODKDQBAHQKS-DYZYQPBXSA-N 413.128 5.148 0 1 HKAF C/C(=C\c1cc(Cl)ccc1O)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587702961 PVUFTKWXRQALAX-BGLJTIQHSA-N 410.714 5.626 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(F)ccc2F)(C(F)(F)F)N1 587706572 QTPDRRFBMYILIF-BCTVWOGZSA-N 424.182 5.207 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)cc2OC(F)F)N1 587715343 HMUQDZCJDFALMO-LZVRBXCZSA-N 418.228 5.126 0 1 HKAF COc1c(F)cc(CC[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587722944 USKVDXZITRFRCK-HWPZZCPQSA-N 414.265 5.083 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccc(F)cc3)c2)N1 587735822 QJZAQCWRXRPRFS-WHEQGISXSA-N 414.293 6.018 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)CN(C)Cc2ccccc2)N1 587742571 SAJYCDYGKQAJGL-VFNWGFHPSA-N 419.382 5.322 0 1 HKAF Cc1ccc(C)c(-n2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 587752395 DAPWSKKOSZHZBD-IVZQSRNASA-N 413.334 5.619 0 1 HKAF CCc1ccccc1-n1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587755281 OJHORRQZLRSURR-PEBXRYMYSA-N 413.334 5.565 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(C3CCCCC3)nc2)N1 587776067 VXEFYSXLAQJINM-CWTRNNRKSA-N 404.327 5.050 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OC(C)(C)C)cc2)N1 587794517 OVKARKXYXHNRDX-ASSNKEHSSA-N 406.339 5.563 0 1 HKAF COc1ccccc1C[C@@H]1CCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587811598 WJXLHEHBPWJFLK-JKXTWKSPSA-N 418.350 5.369 0 1 HKAF Cc1cc(C(C)(C)C)cc(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587816249 VUHOPHJJBMTRQK-NPMXOYFQSA-N 418.394 6.300 0 1 HKAF CCOc1cccc2cc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)oc12 587830787 USHPAKCYQDNQAS-XUSGNXJCSA-N 418.306 5.531 0 1 HKAF CCC[C@]1(c2ccc(Cl)s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587847167 JNEYYSHCCWIOMQ-BTDLBPIBSA-N 402.760 5.881 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncnc(Cl)c1C(C)C 587856761 YOFPJMGJVWNZRX-UHFFFAOYSA-N 411.720 5.812 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C(F)(F)F)ccc1Cl 587869046 YZVHZCVDWBPWTK-UHFFFAOYSA-N 421.728 5.634 0 1 HKAF O=C(c1ccc(COc2ccc(F)cc2)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587873796 NACBTUCXUIAQPH-UHFFFAOYSA-N 404.372 5.202 0 1 HKAF COc1ccc(CCCc2nc3cc(Cl)cc(Br)c3[nH]2)c(OC)c1 587928530 INOGLJTYCPWEHX-UHFFFAOYSA-N 409.711 5.171 0 1 HKAF COC(=O)c1ccc2nc(-c3cccc(-c4ccc(OC)cc4OC)c3C)[nH]c2c1 587929061 LLXAAMMCIIAVDR-UHFFFAOYSA-N 402.450 5.009 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cccc(F)c2[nH]1 587960150 OEYOTMYZYLAKQO-XSCOUVMYSA-N 420.616 8.556 0 1 HKAF Oc1nc2cc(Cl)ccc2n1C1CCN(CCCCc2c[nH]c3ccccc23)CC1 653903277 ADUYXHYSTCIMEO-UHFFFAOYSA-N 422.960 5.536 0 1 HKAF COc1ccc2c(c1)[C@](c1ccccc1C)([C@H]1CC[C@@H](C(=O)O)C1)N(C(C)C)CC2 962086802 CYBGAIHJMPTWFF-YZIHRLCOSA-N 407.554 5.015 0 1 HKAF COc1ccc2c(c1OC)[C@]1(C[C@H](C)c3c(Br)cccc31)N(C)[C@H](C)C2 962640474 WJIPOQVSWCIAMB-DJEJFTSGSA-N 416.359 5.094 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1cn(-c2ccc(Cl)c(Cl)c2)nn1 963235056 FNKOIGVFNRWBIX-QRQCRPRQSA-N 415.368 5.494 0 1 HKAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2C1=Cc2cc(Cl)cc(Cl)c2OC1 963635679 NQQSTVMQVOHROW-BIBXISHDSA-N 406.309 5.062 0 1 HKAF CCn1cc(-c2ccc3c(c2)[C@H](Nc2ccc(Cl)cc2)CCc2nnc(C)n2-3)cn1 1857540415 ZSBDKRBBDNFMHY-OAQYLSRUSA-N 418.932 5.212 0 1 HKAF CCN(C)c1cccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c12 1857560781 XQTDUJGQAKCZOE-UHFFFAOYSA-N 416.569 5.356 0 1 HKAF O=c1c2ccccc2nc(-c2ccc(OCc3ccccc3)cc2)n1Cc1ccccc1 1857757994 DPSKGJVKKUMNDA-UHFFFAOYSA-N 418.496 5.691 0 1 HKAF CC(C)c1cc(COc2ccccc2CC(=O)O)cc(-c2ccc3c(c2)[C@H](N)CO3)c1 1911582629 WQVBAYOMZJYFJK-HSZRJFAPSA-N 417.505 5.075 0 1 HKAF C[C@@H]1C(=O)CC[C@@H]2[C@@H]3C=C[C@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]12C 2356540852 AVTCCGXNGVAPQI-ZEXBMUQKSA-N 410.686 7.843 0 1 HKAF CC1=CCC[C@](C)(CC[C@]2(C)C(C)=CCC[C@@H]2C)O[C@H]1[C@@H](O)c1cc(O)ccc1O 2356631043 NSUMOOGGTKRLQO-MBAUQFBBSA-N 414.586 6.178 0 1 HKAF O=C(NC(=C(NC(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 2356645086 FLXYELUYMMEJHD-UHFFFAOYSA-N 418.496 5.372 0 1 HKAF CN1C(=O)[C@H]([C@H](Nc2ccccc2)c2ccc(Br)cc2)c2ccccc21 206048675 HTUIAVIVZAOCMD-LEWJYISDSA-N 407.311 5.363 0 3 HKAF O=C(NC1CCCC1)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)cc1F 773453 HIFHGPKKRZLKGD-UHFFFAOYSA-N 402.828 5.613 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1cnn(-c3ccc(F)cc3)c1N2 6482551 YCVJEIIUIBLCAU-MUJSDITESA-N 421.560 5.262 0 1 HKAF O[C@@H](CCN1CCN(c2cccc3ccccc23)CC1)c1csc2ccccc12 13491122 SSPZTQRQPYEDFI-DEOSSOPVSA-N 402.563 5.300 0 1 HKAF c1ccc(CCCNCCCCNCCOC(c2ccccc2)c2ccccc2)cc1 13760440 DKFCKRNSTGLFQA-UHFFFAOYSA-N 416.609 5.385 0 1 HKAF CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(F)c(F)c(F)c(F)c23)C1(C)C 14975742 QZLZVRDMGYFIQN-UHFFFAOYSA-N 411.439 5.489 0 1 HKAF Cc1cc(Br)c2c(c1)[C@H]1CCN[C@H](Cc3cccc4ccccc34)[C@@H]1N2 26669091 SXUYSGJPFRBFEI-JMUQELJHSA-N 407.355 5.393 0 1 HKAF CCN(CC)CCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc2cc(N)ccc12 29205112 DVTNPFOXJDRYTK-UHFFFAOYSA-N 419.360 5.016 0 1 HKAF C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/C[C@](C)(O)CC 33820702 SDNPMPPOEBUGME-AVDHBQPESA-N 412.658 6.900 0 1 HKAF CCC[C@H](Nc1cncc(-c2ccc(CN3CCC(O)CC3)cc2)n1)c1ccccc1 36409766 TTZVEPTUSLPUJG-DEOSSOPVSA-N 416.569 5.054 0 1 HKAF N[C@@H]1CC[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 38209980 OGWFIIQUFKCEMC-MOPGFXCFSA-N 417.393 5.690 0 1 HKAF CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC1CCN(Cc3cc(F)cc(C(F)(F)F)c3)CC1)C2 40424878 YVFGWBFINQJJPD-CNDZOEFASA-N 412.515 5.613 0 1 HKAF COc1cc2c(cc1OC)Sc1ncnc(Nc3cccc(Cl)c3F)c1NC2 40568151 DOSXEYXHFVVBCT-UHFFFAOYSA-N 418.881 5.107 0 1 HKAF O[C@H](CNCc1ccccc1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 45371274 NSQSXKXTVAETFT-MRXNPFEDSA-N 414.349 5.096 0 1 HKAF COc1cccc(OC)c1[C@@H](Nc1ccc(C)cc1Cl)C(=O)CCc1ccncc1 52595038 OHZCUVCSIVLPOA-DEOSSOPVSA-N 424.928 5.416 0 1 HKAF C[C@H](Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cccnc2c1-c1cccc(F)c1 72315264 PMXZDPXXSNWPIS-LBPRGKRZSA-N 418.863 5.534 0 1 HKAF FC(F)(F)c1c(N2CCC(F)(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12 95575901 ZWWVHLMUJGABRK-UHFFFAOYSA-N 418.438 5.166 0 1 HKAF COc1cc(Sc2c(-c3ccccc3F)[nH]c3ccccc23)cc(OC)c1OC 95593474 QSVZRUNURFWYJU-UHFFFAOYSA-N 409.482 6.151 0 1 HKAF C[C@H]1[C@H]2Cc3ccc(Nc4ccc(Cl)c(Cl)c4)cc3[C@@]1(C)CCN2CC1CC1 100935589 DQCFFESGZOYPIK-XXEARWCOSA-N 415.408 6.671 0 1 HKAF Oc1ccc([C@@]2(c3ccc(OCc4ccc5ccccc5n4)cc3)C[C@@H]3CC[C@@H]2C3)cc1 101144269 WEASJDHFFGWSTR-ZMKXSNQSSA-N 421.540 6.626 0 1 HKAF O[C@]1(c2cccc(Cl)c2Cl)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12 101185043 UTSZTPIAGJECRH-BRLLKYFNSA-N 401.337 5.489 0 1 HKAF COc1ccc2c(=O)c(-c3ccccc3)c(-c3ccc(Cl)cc3)oc2c1CC(=O)O 103263480 SNRQLAIYXJXKOV-UHFFFAOYSA-N 420.848 5.416 0 1 HKAF CO[C@]1(CCc2ccccc2)CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 118920137 GCBCNNNYHZBPGK-JLKUKDNHSA-N 408.626 6.616 0 1 HKAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2ccccn2)c1F 167857759 SAVJPPGWHMJGIZ-JXFKEZNVSA-N 420.484 5.015 0 1 HKAF Cc1ccc2c(c1)S[C@H](c1ccccc1)[C@H]1C(=N2)c2ccccc2[C@@H]1c1ccccc1 169292013 KDQIDXUBKCXTBC-YIKNKFAXSA-N 417.577 7.725 0 1 HKAF CC(C)c1cc(C(C)C)c([P@]2(=O)C[C@@H]3C(Cl)(Cl)[C@@]3(C)C2)c(C(C)C)c1 195471456 PKOMNWPTRSMZCM-KHOMTPLRSA-N 401.358 6.869 0 1 HKAF C[Si](C)(C)CCCCCn1cc[n+](Cc2ccc(CC[Si](C)(C)C)cc2)c1 195487200 PTDBLFOYXJMKHG-UHFFFAOYSA-N 401.767 6.213 0 1 HKAF C/C=C(\CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@@]21C)C(C)C 238784004 HIHARYSBUQWZCH-IJZVEOPYSA-N 424.669 7.663 0 1 HKAF CC(C)SCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253632359 ABMKCJQMQXHKCT-XGKIBQHTSA-N 404.704 7.094 0 1 HKAF CC(=O)N(C)[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](N(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 255273493 VPOYXIYUORUTSW-ABNZAYLASA-N 402.667 5.442 0 1 HKAF CN(Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1)Cc1cccc(Cl)c1 473131976 QFODNUVZLWBGML-UHFFFAOYSA-N 419.908 5.657 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(CC(=O)OCC)ccc4[nH]3)cc2)CC1 586878950 CAEPQYADJKGTNJ-XUTJKUGGSA-N 418.581 6.800 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(C)cc(Br)c3[nH]2)c1 586879027 ODKOTJYSKOYJIQ-UHFFFAOYSA-N 419.322 6.149 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cccc(C(F)(F)F)c3O)nc3ccc(O)c1c23 586986924 RBZMXHZXLVFHSD-UHFFFAOYSA-N 407.347 5.543 0 1 HKAF Cc1cc(C(F)(F)F)ncc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987509 XTNAOBNQETUAJV-UHFFFAOYSA-N 406.363 5.541 0 1 HKAF Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)sc1Br 586993010 CWOVKIYNTUQMPG-UHFFFAOYSA-N 422.303 5.951 0 1 HKAF CCc1ccccc1NC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586995081 DWCKBVANNUWZGO-UHFFFAOYSA-N 406.485 5.498 0 1 HKAF COc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCO4)cc(Cl)c1OCC(C)C 587047444 XEHUMUCFQBQSOD-SNAWJCMRSA-N 400.862 5.159 0 1 HKAF Fc1cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2c(F)c1F 587049227 JKZUQRAVKRXRGB-UHFFFAOYSA-N 408.810 7.121 0 1 HKAF CCOC(=O)c1ccc2nc(-c3ccc(-c4cccc(OC)c4)cc3Cl)[nH]c2c1 587051597 FBBYXOMTGCKMIA-UHFFFAOYSA-N 406.869 5.736 0 1 HKAF COC(=O)c1cc(Cl)c2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2c1 587051624 QFCZQIKIDMAINB-UHFFFAOYSA-N 421.667 6.237 0 1 HKAF FC(F)(F)Sc1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587052298 ZYFBJFHSUGBZRO-UWVGGRQHSA-N 403.256 6.753 0 1 HKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587070171 QFJLXIMRAJFBBA-OAHLLOKOSA-N 406.938 6.744 0 1 HKAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 587095282 URBHKAMJGDDZEH-UHFFFAOYSA-N 422.328 7.060 0 1 HKAF CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C\c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099898 XAHZLLOXDWZBSL-MFNMGSCBSA-N 407.557 7.396 0 1 HKAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)cc2N1 587127121 RXCVKLWWWLFFFY-KGFZYKRKSA-N 423.748 5.406 0 1 HKAF Fc1cccc(C2(F)CC(c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)C2)c1 587131328 FDXRMVKFUNZWDD-UHFFFAOYSA-N 417.484 6.721 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 587195191 DFXAILLPCZQSQR-UHFFFAOYSA-N 407.301 5.611 0 1 HKAF C[C@@]1(c2c(Cl)ccnc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327703 HDHKBAKCXYDXJF-DYESRHJHSA-N 418.251 5.507 0 1 HKAF CC1(C)[C@@H]2CC[C@@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H]2N=O 587336276 MOJZFOLEZNOSOS-MYNHGSQSSA-N 409.457 5.220 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc(Cl)c4Cl)s1)[C@@H](C2)C3=O 587450911 LZUBILVMAJXERH-YEJXKQKISA-N 417.313 6.219 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cccc(Br)c1)(C(C)C)CC2=O 587459879 ZJPGFCFEGJMHQL-NRFANRHFSA-N 403.316 5.624 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1cc(Cl)ccc1Cl)([C@@H]1CCOC1)CC2=O 587461716 LXCDIQBOJLIQMI-MCMMXHMISA-N 421.320 5.549 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1OCc1ccccc1)CC2=O 587463150 UZNSGXOKNSCGOR-XMMPIXPASA-N 422.908 6.284 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCc1ccc(F)cc1)CC2=O 587469664 BPTSJUGLRXPSJU-XMMPIXPASA-N 406.453 5.769 0 1 HKAF O=C1C[C@H](c2cccn2-c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 587500956 ZBOATARVBJGKDL-JOCHJYFZSA-N 422.322 5.825 0 1 HKAF O=C1C[C@@H](c2ccccc2OCc2ccccc2F)Oc2c1ccc1c2CCCC1 587501828 FXSMCBIAPIZEQS-VWLOTQADSA-N 402.465 5.990 0 1 HKAF O=C1C[C@](c2ccc(F)cc2)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 587509604 SSTUPMXVPXJPHJ-VWLOTQADSA-N 406.884 6.267 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cc(Cl)cc1Cl 587540725 BMSQJWGCAYWGAO-FXAWDEMLSA-N 421.663 6.055 0 1 HKAF CCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587541555 FPZALQTWVBNSMD-REWPJTCUSA-N 410.853 5.537 0 1 HKAF COc1cc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 587543541 KTMTYYIHUDVOCT-GHTZIAJQSA-N 417.244 5.411 0 1 HKAF C[C@@]1(Cc2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544681 FTQFCROFCHFKOG-UGKGYDQZSA-N 414.379 5.374 0 1 HKAF C[C@]1(CC23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601435 FZPXXTHZYCWGGO-MGSHGJMMSA-N 404.506 5.719 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc3cccnc23)N1 587692208 AWTOXRZVVYNPAJ-GIGQVBGESA-N 405.698 5.413 0 1 HKAF CC[C@H](C)n1nc(C)c(Cl)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587695990 KJPCTSAZGOIJJQ-YMNVWFMLSA-N 414.750 5.341 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ccnc(Cl)c3c2)N1 587704935 LIFCYWLYWRAOKM-YPMLDQLKSA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2F)(C(F)(F)F)N1 587707068 SKVVHTOVYGDKQE-ABKXIKBNSA-N 406.192 5.067 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCCCF)cc2)N1 587714614 GIWBDFJMJFPARR-ZUOKHONESA-N 410.302 5.124 0 1 HKAF COc1c(F)cc(F)cc1/C=C/[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587715454 CQVDTTMDBVWWLO-GNSGZIEQSA-N 412.249 5.164 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OC(F)(F)F)N1 587715625 CFUDJFAPHFUYSM-JDNHERCYSA-N 404.201 5.110 0 1 HKAF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1Cl 587721946 XDYQWVURLMQGDV-CQLKUDPESA-N 402.666 5.013 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2C(=O)OC(C)(C)C)N1 587793850 NUMPVYGBZNRYEC-HXPMCKFVSA-N 420.322 5.167 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC/C2=C/c2ccccc2)N1 587820202 YUICOSYFISDFLR-VWXMKKSPSA-N 400.335 5.975 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(CN3CCCC3)cs2)N1 587847297 KGEOCVWXXQTJED-RBZFPXEDSA-N 423.395 5.043 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([C@@H]3CCCCO3)s2)N1 587847898 MNEZZFIPTBIGJU-CILWKZBWSA-N 410.352 5.515 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(Cl)cs1 587860932 GCBSMBIVTNFCHE-UHFFFAOYSA-N 401.702 5.659 0 1 HKAF CCOc1ccc(CC(=O)n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)cc1 587864858 RHBFPNUAQLGYCF-UHFFFAOYSA-N 418.415 5.249 0 1 HKAF CCOc1ccccc1-c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923144 QXPLIGFKQLLUAX-UHFFFAOYSA-N 414.505 7.163 0 1 HKAF Nc1c(-c2nc(-c3ccc(Cl)cc3)cs2)c(O)cn1-c1ccc(Cl)cc1 958043839 OEGPAFDMKQZXAG-UHFFFAOYSA-N 402.306 5.862 0 1 HKAF Clc1ccc2[nH]cc([C@H]3c4ccccc4C[C@H]4CN(c5ccccc5)CCN43)c2c1 962629929 CWODILPAARHZKF-HFZDXXHNSA-N 413.952 5.658 0 1 HKAF COc1cc2c(cc1OC)[C@@H](c1cccc(-c3ccc(Cl)cc3)n1)N(C)[C@H](C)C2 962640037 YKHBZNFUSYUWLF-MYYSRTQBSA-N 408.929 5.385 0 1 HKAF Cc1ccccc1[C@@H]1C[C@@H]1[C@@]1(C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962644199 RFWJOAYLBKUYGV-XXHZYJAKSA-N 408.589 5.761 0 1 HKAF Cc1ccc([C@@]2(Cc3ccc(F)cc3)NCCc3cccc(-c4ccccc4)c32)cc1 962663964 HNSJFCGXKNPFJT-GDLZYMKVSA-N 407.532 6.433 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2ccc(Oc3ccc(F)cc3F)cc2)N1 962954774 LNYKQGDXIRHEDH-HFJWLAOPSA-N 418.487 6.426 0 1 HKAF COc1ccc([C@@H]2NCCc3c(C)ccnc32)cc1COc1ccc(Cl)cc1C 963078923 ZTRGGFNCSPUKRC-QHCPKHFHSA-N 408.929 5.175 0 1 HKAF C[C@]1(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963099476 HKVUZVALWDAVGY-RXVVDRJESA-N 406.423 5.109 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ccc(F)cc1)c1cc(Cl)cs1 963643330 ZRZBHSYFEXFWSH-XMHCIUCPSA-N 417.933 5.384 0 1 HKAF Cc1ccc2c(n1)[C@H]([C@@H](C)C(=O)Nc1ccc(Cl)c(-c3noc(C)n3)c1)CC[C@H]2C 1772649219 BUAQQQXCXVROEG-DFHBCGBQSA-N 424.932 5.658 0 1 HKAF Cc1cccc2c1c(Oc1c(Cl)cccc1Cl)nn2-c1ccc(C(=O)O)cc1 1772654725 LTUFVSKPIXPHQV-UHFFFAOYSA-N 413.260 6.131 0 1 HKAF Cc1cccc(Cl)c1NC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)cnc1N 1857565913 LIFWMTSYYJCQRT-UHFFFAOYSA-N 421.806 5.444 0 1 HKAF O=C(Nc1cc(-c2[nH]c(Cc3ccccc3)nc2-c2ccc(F)cc2)ccn1)C1CC1 1857575121 AFZIRKJTSPMVSW-UHFFFAOYSA-N 412.468 5.217 0 1 HKAF COC(=O)c1ccc(NC(=O)[C@H]2CC=C(CCC=C(C)C)C[C@@H]2c2ccccc2)cc1 1911586050 NIGHIRRAYJJFBP-LOSJGSFVSA-N 417.549 6.278 0 1 HKAF CC(C)CC(C)(C)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356791559 IRUMHQHMEQWWER-OHPSOFBHSA-N 414.718 8.025 0 1 HKAF CO[C@@H]1OC(=O)C2=CC[C@@H]3[C@](C)(CC[C@H]4[C@]3(C)CC[C@H]3C(C)(C)CCC[C@]34C)[C@H]21 2356846245 OLOLYAQBLACKEO-VXRXKMDOSA-N 400.603 6.127 0 1 HKAF CC(C)(C)c1ccc(Cn2c(Br)nc3cc(Cl)c(Cl)cc32)cc1 5834032 SEGZOYLGHCOSFK-UHFFFAOYSA-N 412.158 6.451 0 1 HKAF Fc1ccc(-n2cc(CN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1 26160024 LQQXOQVEOVMHRP-UHFFFAOYSA-N 412.508 5.791 0 1 HKAF C[C@@H]1C(=O)c2c([nH]c3ccc(Cl)cc3c2=O)C[C@@H]1c1ccc(Cl)cc1Cl 27084068 MGDOHBDZYQVUPU-ZANVPECISA-N 406.696 5.647 0 1 HKAF CCOc1cc(OCC)c2c(=O)c(CC)c(-c3ccc(C(F)(F)F)cc3)oc2c1 27091067 ZVZKBFLJLRFSSV-UHFFFAOYSA-N 406.400 5.839 0 1 HKAF CCc1noc(CC)c1CCCCCCOc1ccc(OC)cc1Br 27863408 RHMHWPUAMDLLID-UHFFFAOYSA-N 410.352 5.752 0 1 HKAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(O[C@@H](C)c3ccccc3)c2)[nH]1 40935760 OCMPQLHIFUTCQA-HNNXBMFYSA-N 405.498 6.140 0 1 HKAF CC(C)c1onc(-c2ccc(F)cc2)c1-c1ccnc(N[C@H](C)c2ccccc2)c1 45287595 ZDGWVGGUWRXRME-QGZVFWFLSA-N 401.485 6.839 0 1 HKAF Cc1cccc(NC(=O)CSc2snnc2-c2ccc3ccccc3c2)c1C 45302324 GZZRJWSCATUNJL-UHFFFAOYSA-N 405.548 5.706 0 1 HKAF O=C(OCc1ccccc1)N1CC[C@H]2C[C@@H]1c1cc(-c3cc4ccccc4o3)ccc12 61924053 BTNCGYQZSCSVSF-YADARESESA-N 409.485 6.671 0 1 HKAF CCCCc1ccc(CN[C@@H]2CCCC[C@H]2NCc2ccc(CCCC)cc2)cc1 66078797 BZHSIVUDMWXDPH-VSGBNLITSA-N 406.658 6.562 0 1 HKAF O=C(NCC1(c2ccc(F)cc2)CCCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 72116277 VMCKNFNPDRBVMT-JOCHJYFZSA-N 408.561 5.056 0 1 HKAF COc1ccc(-c2cc3c(OC(=O)c4c(O)cc(OC)cc4OC)cccc3o2)cc1 96922082 OBDNXMYUJMOZAP-UHFFFAOYSA-N 420.417 5.050 0 1 HKAF Cc1cc(/C=C/c2cc(C(=O)Sc3ccc(F)cc3)cc(N(C)C)c2)cc(C)c1O 98208042 HDIQCNNYMZBHKA-AATRIKPKSA-N 421.537 6.317 0 1 HKAF in-vitro Fc1cccc2[nH]cc([C@H]3CC[C@H](N4CCN(c5cccc6[nH]ccc56)CC4)CC3)c12 101182332 VMZQQRPOHNPIKW-KDURUIRLSA-N 416.544 5.637 0 1 HKAF CC1(C)CC2=Nc3nn(-c4ccccc4)c(O)c3[C@H](c3ccc(F)cc3)C2=C(O)C1 103686738 MVWHJQWCYZAKDR-LJQANCHMSA-N 403.457 5.567 0 1 HKAF c1cc2oc3ccc(OCCN4CCCCC4)cc3c2cc1OCCN1CCCCC1 117143048 ABVDMOXWUCYGBM-UHFFFAOYSA-N 422.569 5.315 0 1 HKAF CCc1cccc(CC)c1-c1cc(C)c2c(n1)C[C@H](C)N(c1cc(C3CC3)nn1C)C2 169686055 WDOLUYWNGRMXSI-SFHVURJKSA-N 414.597 5.744 0 1 HKAF Cc1noc(C)c1-c1ccc(-c2nc3cnccn3c2N[C@@H](C)c2ccccc2)cc1 299819602 ATBSLIIYZHREFU-INIZCTEOSA-N 409.493 5.841 0 1 HKAF CC(C)c1cc(C(C)C)c(S(=O)(=O)n2cnc3ccc(Cl)cc32)c(C(C)C)c1 299867546 QGKFJXGPPMPEFO-UHFFFAOYSA-N 418.990 6.297 0 1 HKAF Oc1cc(O)cc(C2=C(Cc3ccccc3)c3cc(O)cc(O)c3[C@@H]2c2ccccc2)c1 473087046 JRCDEDDTEBZXLY-HHHXNRCGSA-N 422.480 5.808 0 1 HKAF CCOC(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3)nc2c1 586878641 HZSWJIAVSXHKKU-UHFFFAOYSA-N 400.434 5.080 0 1 HKAF CC(C)COc1cc2nc(CCc3cc4ccccc4o3)[nH]c2cc1Br 586904195 SOFUOHZMJAALLU-UHFFFAOYSA-N 413.315 5.892 0 1 HKAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)cc(Br)c2[nH]1 586962689 GQIUKPZPXQGSBN-NSHDSACASA-N 413.728 5.026 0 1 HKAF CCOc1cc(/C=C/c2nc3cc(OC)c(F)cc3[nH]2)cc(Br)c1OC 586978232 NSMJCSFLFWBIMA-AATRIKPKSA-N 421.266 5.051 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC[C@@H](N(C)CC(F)(F)F)C4)-c1ccccc1C2=O 586993173 MDSCAZDVLAWDOK-CQSZACIVSA-N 410.439 5.106 0 1 HKAF Cc1cccc(C)c1NC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586994879 BFIWNZMSDUSZDY-UHFFFAOYSA-N 406.485 5.553 0 1 HKAF Clc1cc(Br)c2[nH]c(-c3nc(Br)ccc3Cl)nc2c1 587005539 YYJVWRJIJLOXRV-UHFFFAOYSA-N 421.907 5.457 0 1 HKAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)s1 587014528 MXNZWOKSWLPHPP-MRVPVSSYSA-N 400.729 5.508 0 1 HKAF Oc1nccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 587063978 HMBREYOJDKKDIW-UHFFFAOYSA-N 404.857 5.018 0 1 HKAF CC(C)Oc1cc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2cc1Br 587070531 HNEPAHLYAZFDAM-UHFFFAOYSA-N 407.695 5.191 0 1 HKAF Clc1ccc(CC/C(=C/c2nc3ccc4ncccc4c3[nH]2)c2ccccc2)cc1 587074159 UDLJBGRKVWNXCL-JZJYNLBNSA-N 409.920 6.938 0 1 HKAF O=C(c1ccccc1)c1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587076459 MLCJKJJYBZUDOW-QHCPKHFHSA-N 415.924 5.784 0 1 HKAF CC(C)(C)c1ccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2n1 587082950 XHEIXAPPDWLHSL-UHFFFAOYSA-N 412.924 6.791 0 1 HKAF COc1ccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(Cl)n1 587083983 PYCPGJJUUPIUOE-UHFFFAOYSA-N 406.589 5.068 0 1 HKAF Cc1cc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145536 YMDSNQQGHIMTOM-UHFFFAOYSA-N 415.346 5.456 0 1 HKAF O=S(=O)(c1ccc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2c1)C(F)(F)F 587152591 AKRIHMYLGUCCEX-UHFFFAOYSA-N 420.387 5.330 0 1 HKAF Cc1ccc(C)c2[nH]c(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc12 587165629 GWXCSZKPVVQJGN-UHFFFAOYSA-N 411.484 5.656 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cncc(Br)c3[nH]2)c1 587196140 QJZBDJHAGNZIBF-UHFFFAOYSA-N 417.307 5.067 0 1 HKAF CN(C)c1ncccc1-c1nc2cc(Br)c(OCc3ccccc3)cc2[nH]1 587196165 RHGNTUGAVLJGGN-UHFFFAOYSA-N 423.314 5.032 0 1 HKAF CC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(F)ccc2O1 587330438 FDIZCENLWUGQRH-LADGPHEKSA-N 406.384 5.221 0 1 HKAF CC(C)=CCC/C(C)=C\CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352504 JSOKWGJKWZEZQW-OLCUIXDDSA-N 422.540 7.122 0 1 HKAF COc1cccc(-c2c(Cc3ccc(Cl)s3)c(C)nc3c2oc2ccccc23)c1 587364826 IDWNDYMYPSMCTD-UHFFFAOYSA-N 419.933 7.271 0 1 HKAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(C(C)(C)C)ccc41)[C@@H](C2)C3=O 587447463 SEUFQEZCEDUCHU-RBISFHTESA-N 424.496 5.228 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cc3ccccc3)ccc1OC)CC2=O 587484029 VYUCJJDWIQTDTB-VWLOTQADSA-N 402.490 5.651 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1nc(-c3cc(C)c(C)cc3C)cs1)CC2=O 587493346 FDTFJLJBICBMCC-QFIPXVFZSA-N 407.535 6.100 0 1 HKAF CCCOc1cc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCC 587502740 DUWUYSZJVNZAGN-NRFANRHFSA-N 414.929 6.113 0 1 HKAF O=C1C[C@H](c2ccc(F)c(I)c2)Oc2c1ccc1c2CCCC1 587508670 WTKZBMPLMONUJR-GOSISDBHSA-N 422.237 5.016 0 1 HKAF COC(=O)C[C@@]1(c2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587509304 ROSPEVNDMUPXHQ-JOCHJYFZSA-N 418.411 5.008 0 1 HKAF COC(=O)c1ccccc1-c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522073 DVNIZKNNQANSNB-RUZDIDTESA-N 412.485 5.726 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc(Cl)c1O 587549024 YPLXKBGJLUQIGO-UZLBHIALSA-N 403.217 5.108 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(C(F)(F)F)c1F 587550149 SXQHITGYZVTFEH-YWZLYKJASA-N 422.305 5.392 0 1 HKAF Cn1c(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587552182 OCQYBWVHHCCYAO-KNQAVFIVSA-N 405.837 5.240 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccs2)cc1 587610335 FMOUOWIYXQYUDZ-ZJSXRUAMSA-N 400.455 5.824 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc(F)c(Cl)c2F)N1 587719356 LEGUKPOEYSZAMA-ADNUTGFCSA-N 408.620 5.283 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(C)(C)C)(c2ccc(F)cc2)N1 587735553 XQSMYIZCSFQPLY-YEJXKQKISA-N 408.330 5.941 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CC=C(CCCC(C)(C)O)CC2)N1 587824520 BYPZPPWOJSESEY-ZJTDPSCFSA-N 424.398 5.831 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)o1 587832163 YWPRRUWHJSLYBJ-QKVFXAPYSA-N 400.291 5.780 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2-c2ccsc2)N1 587854212 QMRSLNFMSWRUQY-WYRIXSBYSA-N 403.320 5.335 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 587861034 KHRXOAIKICPWSL-JKSUJKDBSA-N 420.818 5.675 0 1 HKAF O=C(O)CCCCCCCCCCCCc1nc2c(Cl)c(Cl)cnc2[nH]1 587956929 MJOLHSPQKLAYNE-UHFFFAOYSA-N 400.350 6.183 0 1 HKAF C[C@@H](CCNCCC12CC3CC(CC(C3)C1)C2)Nc1ccnc2cc(Cl)ccc12 653692828 RAMTZOVPPUAYHY-SELVFMLMSA-N 412.021 6.275 0 1 HKAF Cc1nc(-c2cc3ccccc3o2)sc1COc1ccc2c(c1)OC[C@H]2CC(=O)O 653737545 CHSJVOXJIQLYFT-OAHLLOKOSA-N 421.474 5.394 0 1 HKAF Cc1ccc(C)c(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)n1 653775428 XJCSYUBFZIVTMY-UHFFFAOYSA-N 424.500 5.624 0 1 HKAF Cc1ccc(CC[C@]2(C3CC3)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1 962644856 XNGGGCHFKANRQW-JDXGNMNLSA-N 422.616 5.980 0 1 HKAF Cc1onc(-c2cccc(Cl)c2Cl)c1[C@@]1(C)c2ccsc2CCN1C(N)=O 962708023 JOFZLIPDGIGEFZ-LJQANCHMSA-N 422.337 5.219 0 1 HKAF CSc1ccc([C@@]2(C3CCC3)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962714900 RVUPWJLWFZGOPS-CYFREDJKSA-N 413.627 5.955 0 1 HKAF COc1ccc([C@]2(CCCCCC(=O)O)c3c(F)cccc3C[C@H]3CCCN32)cc1 963100624 BXMALHHMULQWOF-CJFMBICVSA-N 411.517 5.134 0 1 HKAF CCCc1ccc([C@@]2(CCC3OCCCO3)c3ccccc3C[C@@H](C)N2CCC)cc1 963259060 RAJCWUJYGYIKPR-DFHRPNOPSA-N 421.625 6.083 0 1 HKAF O=C(Nc1ccc(OCc2nc3ccccc3s2)cc1)Nc1ccccc1Cl 1857581067 DGCBUNZRPKGEDX-UHFFFAOYSA-N 409.898 6.173 0 1 HKAF COC1CCN(Cc2cc(-c3ccc(C(C)C)cc3)n(-c3ccc(F)cc3)n2)CC1 1857581458 GWTVIVJIFGVISN-UHFFFAOYSA-N 407.533 5.413 0 1 HKAF COc1ccc(Cn2cc(CN3c4ccccc4Sc4ccccc43)nn2)cc1 1857594808 LRWNRLJMUNUWJT-UHFFFAOYSA-N 400.507 5.138 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C=C2C(=O)O[C@H](c3ccoc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n1c[n+](C)c2nncc(N)c21)CC[C@]1(C)C2=CCCC(C)(C)[C@@H]2CC[C@@H]1C 2356856853 SEAURGZSHCIKNY-UNVFRBQDSA-N 422.641 5.363 0 1 HKAF COc1ccc(-c2coc3c4c(c(CC=C(C)C)c(O)c3c2=O)OC(C)(C)C=C4)cc1 2554939 LDARSRVDRQBFHA-UHFFFAOYSA-N 418.489 5.867 0 3 HKAF biogenic,in-vitro COc1cc(OC)cc(-c2sc3ccc(OC)cc3c2-c2ccc3cc[nH]c3c2)c1 61948068 NZVNECFEMBFIPJ-UHFFFAOYSA-N 415.514 6.742 0 3 HKAF c1cc(SC2CCCCC2)cc(-c2nc3cnccn3c2NC2CCCCC2)c1 61959780 PWHDFQFFKZEGLR-UHFFFAOYSA-N 406.599 6.566 0 3 HKAF CC[C@@H](CCCc1ccc(OC)cc1)CCC(=O)N(c1ccccc1)c1ccccc1 203473095 KWUKXHJHCBPBSL-QHCPKHFHSA-N 415.577 7.189 0 3 HKAF O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(Cc2cccnc2)n1 13534789 DJIZQXACFIGGIL-UHFFFAOYSA-N 424.287 5.665 0 1 HKAF CCCCCN[C@H](CNC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 13737254 ZIUYGBIASUXFLQ-XMMPIXPASA-N 409.618 6.576 0 1 HKAF COc1c(O)cc2oc(-c3cc(O)cc(O)c3)cc2c1C/C=C(\C)CCC=C(C)C 14610512 WLJKBVCQTOXSPP-LZYBPNLTSA-N 408.494 6.460 0 1 HKAF biogenic,in-vitro CC1=C2C[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]43C)[C@H]2CC[C@]12O[C@@H]1C[C@@H](C)CN[C@H]1[C@H]2C 14806475 QASFUMOKHFSJGL-PZCMRLNNSA-N 411.630 5.002 0 1 HKAF CN(C)C12C[C@H](c3ccccc3)C([C@@H](c3ccccc3)C1)[C@H](OC(=O)C(C)(C)C)C2 28863139 QTJGCUCNGLCPFR-CULZIHDPSA-N 405.582 5.626 0 1 HKAF CCc1ccc(-c2nc(C)c(CCOc3ccc4c(c3)CC[C@H]4CC(=O)O)n2C)cc1 28952000 RNVUYHUTJDDRFV-NRFANRHFSA-N 418.537 5.084 0 1 HKAF CC1=C(C(C)C)[C@@H]1C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34175418 HBUXJBGKOKXRBP-KHNVBWEVSA-N 410.686 7.555 0 1 HKAF CC(=O)N[C@@H](C)c1cnc(-c2cnc(Oc3ccc(OC(C)C)cc3)s2)s1 35259993 CVAJIWQTUPPAIF-LBPRGKRZSA-N 403.529 5.043 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\C[C@@H](O)CC\C3=C/F)CCC[C@@]21C 38791703 GBYUWSOLZWQQPT-UDPKSVHCSA-N 402.638 7.916 0 1 HKAF O=S(=O)(c1cccc2ccccc12)N1N=C2CCCC[C@H]2[C@H]1c1ccc(F)cc1 42989054 PFSBBKSUGSPKCV-NFBKMPQASA-N 408.498 5.271 0 1 HKAF O=C(O)c1[nH]c2c(-c3ccccc3)cccc2c1CCCOc1cccc2ccccc12 43200347 KTRRVUAMYYAKSN-UHFFFAOYSA-N 421.496 6.698 0 1 HKAF COc1cc(Nc2nc(C)c(Cc3cccc(Cl)c3)s2)ccc1-c1cnco1 73157943 QBUWDNJZVDZAFK-UHFFFAOYSA-N 411.914 6.103 0 1 HKAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2cccc(C)c2)C1 82145679 OATQFTOAGDZMEU-UXHICEINSA-N 420.601 5.847 0 1 HKAF Cc1cnc(-c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2ccccc2)o1 82163300 SOXCJGGQUVZTKH-UHFFFAOYSA-N 410.399 5.738 0 1 HKAF CC/C(=C(/c1ccc(O)cc1)c1ccc(NC(=O)N(C)C)cc1)c1ccc(O)cc1 96907943 LVTWNSIMQDNKLU-VHXPQNKSSA-N 402.494 5.560 0 1 HKAF O=C1O[C@@](c2ccccc2)(c2ccncc2)CC(O)=C1SCCc1ccccc1 100364116 LZZVLMOAAXHUKF-DEOSSOPVSA-N 403.503 5.018 0 1 HKAF FCCc1ccc([C@@]2(c3cccs3)C[C@H]3c4ccccc4[C@H]2c2cccc[n+]23)s1 100819807 NMLFXWQVLHDUDJ-TUSQITKMSA-N 418.582 6.034 0 1 HKAF O=C(Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CC[C@H](Oc2ccc(F)cc2)CC1 103235719 GRVHWWSPQFJFDX-KDYLLFBJSA-N 412.383 5.236 0 1 HKAF CCCCNC(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F 105177394 JELQPQNUDRRWPB-UGJIMAENSA-N 424.564 5.295 0 1 HKAF COc1cc(/C=C\CC/C=C/C=C(\C)CC[C@@H](O)c2ccco2)cc(OC)c1OC 136936155 BWOGYZBWMQTAEE-GNUGEVKRSA-N 412.526 6.115 0 1 HKAF CCOC(=O)/C=C(C)/C(F)=C\C=C(C)\C=C\c1c(Cl)cc(OC)c(C)c1Cl 169289761 VSXATMDFYANSRS-VIISYENXSA-N 413.316 6.633 0 1 HKAF O[C@@H](C[C@@H]1CCCCN1)c1cc(-c2ccccc2)nc2c(C(F)(F)F)cccc12 169333475 ZJTKQLQPEGHTAA-KKSFZXQISA-N 400.444 5.486 0 1 HKAF C[C@H](N)CNc1nc(-c2ccncc2)nc2cc(-c3ccc(C(C)(C)C)cc3)sc12 223677007 VJTDZRQDCSDOLW-HNNXBMFYSA-N 417.582 5.477 0 1 HKAF CCCCC[C@H](C)C/C=C\C/C=C\C/C=C/C/C=C\CC[C@H](C)C(=O)NCCF 231934566 MHVQQJCJBNFDST-YJFCNLJUSA-N 405.642 7.490 0 1 HKAF COc1ccc(/C=C2\C(=O)N(C)c3ccc(Cl)cc32)cc1O[C@@H]1C[C@H]2CC[C@H]1C2 253632964 FFFLXXMNEHFKKE-NOHKAAJESA-N 409.913 5.433 0 1 HKAF COC(=O)[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccc(SC)cc2)s1 253685212 DKEAXYAQHUXDHX-GPBIDZIOSA-N 411.592 5.176 0 1 HKAF c1ccc(CN2[C@H]3CCCC[C@@H]3C3=C([C@@H](c4ccco4)ON3)[C@H]2c2ccccc2)cc1 299814000 DGPSOURKQBTBED-DOQQYFFYSA-N 412.533 5.926 0 1 HKAF Clc1ccc(-c2ccc(-c3nccn3-c3ccc([C@H]4CCCNC4)cc3)o2)cc1 299826884 UUIIAYHWTPAHPU-IBGZPJMESA-N 403.913 5.920 0 1 HKAF Cc1ccc(Cn2nc(C(=O)NC3CCCCC3)c3c2-c2c(C)csc2C3)cc1 299832151 SDQCZGQMPNVOQB-UHFFFAOYSA-N 405.567 5.243 0 1 HKAF CC[C@H](C)Nc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccccc2F)n1 299879454 KSEJIORGIAFDGT-ZUGPOPFOSA-N 424.564 5.294 0 1 HKAF Cc1nc(Br)sc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587011553 PQDGCTJYFIBJCL-UHFFFAOYSA-N 412.618 5.309 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Br)ccc4[nH]3)c21 587030266 ARNRVQSPTXDUOQ-GFCCVEGCSA-N 412.356 6.284 0 1 HKAF COC(=O)c1ccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2c1 587060217 GFTBKMFKFBIJCU-UHFFFAOYSA-N 413.864 5.885 0 1 HKAF FC(F)(F)Sc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1 587064111 AYFGDJGPRSFXAH-UHFFFAOYSA-N 424.831 6.667 0 1 HKAF Fc1cc(C(F)(F)F)c2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2c1 587064247 GJKRRTGCMYWHQK-UHFFFAOYSA-N 410.754 6.213 0 1 HKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cccc(I)c2[nH]1 587068019 WKMJLAVKXZWRAM-SNVBAGLBSA-N 412.658 5.269 0 1 HKAF Cc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1Cl 587072404 VRRUFXZQSSZDDR-MRXNPFEDSA-N 420.340 5.987 0 1 HKAF O=C1c2ccccc2-c2c(CCc3cccc(C(F)(F)F)c3)cnc3cccc1c23 587104484 WTNOLYCUUMYVBQ-UHFFFAOYSA-N 403.403 6.250 0 1 HKAF CC[C@@H](Oc1ccccc1F)c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 587154188 ABNNUFBHQUVDSQ-OAQYLSRUSA-N 420.440 5.811 0 1 HKAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587167627 PDQHGXSPPUFESJ-INIZCTEOSA-N 410.346 5.229 0 1 HKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2c(Br)ccnc2[nH]1 587247909 XLQJKWNHEFTOBH-UHFFFAOYSA-N 409.287 5.135 0 1 HKAF CC[C@]1(c2ccc(Cl)c(N)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330030 ZWVXCJCJKMCDFQ-FYYLOGMGSA-N 411.860 5.431 0 1 HKAF COc1cccc(-c2cc(-c3ccccc3C(C)(C)C)nc3c2oc2ccccc23)c1 587365372 JXRZKNHRQYFINO-UHFFFAOYSA-N 407.513 7.621 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3c(Cl)cccc3Cl)o1)O2 587375324 LBOKNBSWTRYCMY-LJQANCHMSA-N 418.276 5.763 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(-c3ccccc3)cc1)(c1cccnc1)O2 587395059 NUIWFUUPEGVXBL-MHZLTWQESA-N 406.485 5.548 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccs1)(c1c(N)sc3c1CCCC3)O2 587415147 XVENNMLETYJTIH-JOCHJYFZSA-N 410.564 5.070 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC(C)C)(c1cc(Cl)ccc1OC)CC2=O 587459044 BHCYNSORYOHICL-HSZRJFAPSA-N 402.918 5.914 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc(Cc3ccccc3)nc1C)CC2=O 587494734 NQNAYNQCASPDDP-XMMPIXPASA-N 407.535 5.581 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cccc21 587512547 FBIXUHUJJUUTGN-QHCPKHFHSA-N 419.521 5.570 0 1 HKAF O=C1C[C@@H]([C@H]2CCCCN2C(=O)OCc2ccccc2)Oc2c1ccc1c2CCCC1 587517491 OCUOXFIXPIUEFO-VWNXMTODSA-N 419.521 5.091 0 1 HKAF COC1=Cc2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccsc21 587535769 OIGQPKUPOQEOBK-SANMLTNESA-N 414.526 5.994 0 1 HKAF COc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587541036 DCWDDSKVMQFETJ-PXNSSMCTSA-N 417.244 5.411 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2c(F)cccc2F)o1 587559789 YZOCHHZJBJGZMX-QPPBQGQZSA-N 420.367 5.633 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccn(-c2ccccc2F)c1 587568431 LTKJKCAMHXCJRN-ZJSXRUAMSA-N 401.393 5.025 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1ccc(F)cc12 587572867 XEHPMPHSSWXFII-ZEQKJWHPSA-N 410.400 5.417 0 1 HKAF COc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(C)C 587596363 VFDUCTSCGKYSEH-WIOPSUGQSA-N 404.462 5.536 0 1 HKAF C[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599876 IMLFNHPANNCGTN-RPLLCQBOSA-N 424.452 6.062 0 1 HKAF CC(C)c1c(Cc2cccc(Cl)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587621860 MMWDTFNAQWOJBP-UHFFFAOYSA-N 402.723 6.174 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3C)c(CC(=O)O)c2c1 587639025 MQDAQXXLNUMEMH-GFCCVEGCSA-N 400.316 6.046 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2Nc2ccccc2)N1 587749094 MVIQWIFDMZOYEW-XMDBHEJHSA-N 403.339 5.372 0 1 HKAF CCCCn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587757526 OKQFANPGDZLMLW-RCDICMHDSA-N 415.350 5.967 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(c2ccccc2)c2ccccc2)N1 587813208 NFUDOBQSIPEPFT-FYSMJZIKSA-N 424.357 6.170 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@](C)(c3ccccc3)CC2)N1 587816951 GIQMMOQOLSMSHU-KBJGYGKASA-N 400.335 5.626 0 1 HKAF Cc1cc(C)cc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 587817678 DNXQXOUWKDOWDY-FYSMJZIKSA-N 424.357 6.496 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C(=O)C3CCC3)c2)N1 587821627 WNTWDLHGYMLLCX-MPBGBICISA-N 402.307 5.195 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3cccs3)cs2)N1 587852474 LIYUSCPWSRCNNQ-XTZNXHDOSA-N 408.361 6.002 0 1 HKAF CC(C)(C)c1ccc(Nc2ncccc2-c2nc(-c3cccc(Cl)c3)cs2)cc1 587920259 GNGYGCURAHUEQQ-UHFFFAOYSA-N 419.981 7.567 0 1 HKAF Cc1cc(-n2c(-c3cccs3)ccc2-c2cccs2)nn1Cc1ccccc1F 587946908 ZEXLQASMPJNZHK-UHFFFAOYSA-N 419.550 6.627 0 1 HKAF Fc1ccc2[nH]c(-c3cccc(N4C[C@@H]5CN(Cc6ccccc6)C[C@H]5C4)c3)cc2c1 618017161 HHQLULDIWJULNZ-GOTSBHOMSA-N 411.524 5.542 0 1 HKAF Cc1nc(-c2cccc(Cl)c2)sc1COc1ccc2c(c1)OC[C@@H]2CC(=O)O 653740410 ANKBTKFKNQIIQO-AWEZNQCLSA-N 415.898 5.302 0 1 HKAF COc1cc2c(cc1OC)[C@@H](c1cc(C)c(Br)c(C)c1)N(C)[C@H](C)C2 962641410 SEJODRMKMSMQIV-SPLOXXLWSA-N 404.348 5.049 0 1 HKAF Cc1ccc(-n2nc(C)c([C@@H]3NCCc4cc(-c5ccccc5)ccc43)c2C)c(C)c1 962667891 WSHSWSGCOKZZLL-MUUNZHRXSA-N 407.561 6.008 0 1 HKAF C[C@@H](CC(=O)O)[C@]1(c2ccc(Cl)cc2)NCCc2cccc(-c3ccccc3)c21 962672233 WEKUBWWKOXHVBU-SSOJOUAXSA-N 405.925 5.507 0 1 HKAF COc1c(C)cc([C@@]2(C)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cc1C 962948485 AIBRHTJWAWQQLK-JOCHJYFZSA-N 419.487 5.246 0 1 HKAF Cc1ccc([C@]2(c3cccc(Br)c3)NCCc3c2sc(C)c3C)cc1 963016113 XMLVRJWVNQRHIF-JOCHJYFZSA-N 412.396 5.873 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]21C=CC(c2ccccc2)(c2ccccc2)CC1 963116364 WNWINJGESBQKJZ-WNJJXGMVSA-N 409.548 6.378 0 1 HKAF C[C@H]1c2c(F)cccc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)Nc1cccnc1 1772653488 RSYDXQDUBAUOIG-MSOLQXFVSA-N 404.489 5.225 0 1 HKAF CN1C(=N)N[C@](c2ccccc2)(c2cccc(-c3ccc(-c4ccccc4)cc3)c2)C1=O 1857575464 CSFICYUCFDVENJ-MUUNZHRXSA-N 417.512 5.261 0 1 HKAF O=C1NC(c2ccccc2)(c2ccccc2)CC(O)=C1Sc1ccccc1Cl 1857582464 ZRHCATRUHGMJSD-UHFFFAOYSA-N 407.922 5.665 0 1 HKAF Cc1c2c(cc3c1C(=O)C[C@]1(C)[C@@H]3CC[C@@H]1[C@H](C)C=C[C@@H](C)C(C)C)CC[C@H](O)C2 2356479249 JEBBAGYMMFYRSR-LCECTPTQSA-N 408.626 6.415 0 1 HKAF C[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C[C@H]1OC(=O)c1ccccc1 2356745489 FODHMRRHZAVFBM-SNJIPBQFSA-N 408.582 6.070 0 1 HKAF COC1=CC(c2ccc[nH]2)=N[C@]12O[C@H](C)C[C@H]1CCCCCCCc3ccc([nH]3)[C@@H]12 2356791813 IYXCTYVGDOJTOK-PILYLSNXSA-N 407.558 5.478 0 1 HKAF COc1cccc(Nc2nc(-c3sc(NC(=O)c4ccccc4)nc3C)cs2)c1 8666194 IHVOBIFSUVQDNT-UHFFFAOYSA-N 422.535 5.580 0 3 HKAF aggregator CC1(C)C[C@@H](NCc2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 4665162 DVVNXTBZXPYWJS-HSZRJFAPSA-N 400.522 5.009 0 1 HKAF CCOC(=O)N1C(=S)N=C(C)/C(=C(/O)OCC)[C@@H]1c1cccc(Cl)c1Cl 26578427 ZDUFPHWRWAGROF-YEQVNJDRSA-N 417.314 5.059 0 1 HKAF CCOC(=O)C1=C(c2ccsc2)N=C(C)/C(=C(/O)OCC)[C@@H]1/C=C/c1ccccc1 27524799 SUUIJTGGJIFCOD-FKVNQSKWSA-N 423.534 5.633 0 1 HKAF Oc1cc(NCCCNCc2cc(Cl)cc(Cl)c2Cl)cc2ccccc12 28366978 OKBKGZCGXVKGJQ-UHFFFAOYSA-N 409.744 6.097 0 1 HKAF O=C(Nc1oc(-c2ccccc2)nc1-c1ccccc1)c1ccccc1C(F)(F)F 35274571 HZTVLROYKDNIQN-UHFFFAOYSA-N 408.379 6.280 0 1 HKAF O=C(O)c1ccc(-c2cccc(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)c2)cc1 40917060 UQQGPFQPDNZYJB-UHFFFAOYSA-N 424.540 6.892 0 1 HKAF O=C(O)CCCC(=O)Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl 40956261 ZSXPGRXLINFKKP-UHFFFAOYSA-N 403.645 5.599 0 1 HKAF C[C@@]1(c2ccccc2)CC([C@@H]2CCC[C@H]2C(=O)NC2(c3ccccc3)CCC2)=NO1 45259000 BNOVZRYNDIHNQL-RQTOMXEWSA-N 402.538 5.290 0 1 HKAF COc1ccc(-c2c(C(=O)c3ccccc3)oc3ccc4c(C)cc(=O)oc4c23)cc1 45373798 WUGWSPBSKCVDTI-UHFFFAOYSA-N 410.425 5.754 0 1 HKAF O=C1C[C@@H](c2ccc(Cl)cc2Cl)C[C@@H]2Sc3ccc(Cl)cc3C(=O)[C@@H]12 58557013 PZKSLHZFBRDKRX-LANCPOTRSA-N 411.737 6.067 0 1 HKAF O=C(c1ccccc1-c1ccccc1)N1CCCC[C@@H]1CCOc1ccc(F)cc1 72119905 PZTKKGBQVCJMCG-JOCHJYFZSA-N 403.497 5.957 0 1 HKAF COc1cccc(C(=O)N2CCCC[C@H]2CCOc2ccc(Cl)c(Cl)c2)c1 72120004 CZWWVUYCUQLYEF-INIZCTEOSA-N 408.325 5.466 0 1 HKAF Cc1ccc(Sc2ccc(O)cc2)c(Nc2ncnc3nc(C(C)C)ccc23)c1 73314039 LDAAHOHGJLRTBZ-UHFFFAOYSA-N 402.523 6.057 0 1 HKAF COc1ccc(-c2ccc(C(=O)O)cc2)cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C 80357019 HBNBYJCDYSPKDL-UHFFFAOYSA-N 414.545 7.076 0 1 HKAF COc1cc2nc(NCC3CCCCC3)nc(NCCC(C)(C)C)c2cc1OC 82129621 SJJPNPSRMJNZNW-UHFFFAOYSA-N 400.567 5.487 0 1 HKAF CC[C@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCc3cccc(F)c3)ncnc21 82181492 ONHNTRLPIXXVDX-HNNXBMFYSA-N 423.923 5.944 0 1 HKAF CCN(CC)CCC[C@@H](C)Nc1ccnc(COc2ccc(Cl)c(Cl)c2)c1 95607691 KBWNKCKFDGRQQH-MRXNPFEDSA-N 410.389 5.890 0 1 HKAF O=C(CCc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccccn1)CCCCC2 103239425 ACGKUXIWVPCLSR-UHFFFAOYSA-N 419.550 5.236 0 1 HKAF C[C@H]1CC=C([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)NC1 118921782 OKQBXIRUGKXBKP-AGQBKMEESA-N 413.646 5.047 0 1 HKAF Cc1ccc(/C=C/c2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccccc45)ccc23)c(C)n1 147662314 HPJPZVODQVTPBB-PYEYBSRVSA-N 406.489 5.123 0 1 HKAF O=C(Nc1ccc(F)cc1)c1ccc(SCC(=O)c2csc3ccccc23)nc1 261192629 ZRUBXERACCVODB-UHFFFAOYSA-N 422.506 5.663 0 1 HKAF CC1(C)C=Cc2c(ccc3c(=O)c(-c4ccc(C(F)(F)F)cc4Cl)coc23)O1 299837786 KUMHCAFVLYLQOI-UHFFFAOYSA-N 406.787 6.316 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1 586915349 DCROSRWDHDGMPB-CJFMBICVSA-N 414.530 5.931 0 1 HKAF CCS(=O)(=O)c1ccccc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586921588 FITZDDNNTXUOBV-UHFFFAOYSA-N 419.531 5.300 0 1 HKAF Nc1nc(-c2cccc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c2)cs1 587020504 AQFVGBXVRBHOJY-UHFFFAOYSA-N 410.808 5.488 0 1 HKAF Cc1cc(Br)ccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587101666 IZEIXGFZSSFFTD-UHFFFAOYSA-N 400.275 6.184 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C1 587105128 PKQZKWVFDVSHPL-HNNXBMFYSA-N 400.478 5.171 0 1 HKAF FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c(Cl)nccc4[nH]3)n2n1 587120329 YNQZSHZEBJNINW-UHFFFAOYSA-N 414.778 5.007 0 1 HKAF COc1cc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2cc1Cl 587138768 VDOVPFDCJAJNCN-UHFFFAOYSA-N 414.795 5.535 0 1 HKAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587162795 DIOQMPUHFXJBOY-NRFANRHFSA-N 402.498 5.630 0 1 HKAF C[C@@]1(c2cc(F)c(F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327997 AEPLYNCMKMVMOV-IRLDBZIGSA-N 418.798 5.737 0 1 HKAF O=C(O)CCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348062 CDHAQMBOUAKFGN-ZCYQVOJMSA-N 420.436 5.041 0 1 HKAF CC(C)Cc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587353522 LDUGASVNLBDGKK-AZGAKELHSA-N 404.481 6.004 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccccc1OCc1cccc(F)c1)[C@@H](C2)C3=O 587426571 DQVKPPRRKJHEQK-NBGIEHNGSA-N 404.437 5.076 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1cccc(C(=O)OC)c1)CC2=O 587478319 IXGYMCDWTBBGQV-XMMPIXPASA-N 416.473 5.505 0 1 HKAF O=C1C[C@@](Cc2cccnc2)(c2cccc(Cl)c2)Oc2c1ccc1c2CCCC1 587498780 GUESSHNULHWVIW-VWLOTQADSA-N 403.909 5.717 0 1 HKAF O=C1C[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)Oc2c1ccc1c2CCCC1 587509983 TULXALZXDZTNKN-VWLOTQADSA-N 402.465 5.990 0 1 HKAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC(C)C 587596705 RAZMCASYZKGQRJ-WIOPSUGQSA-N 420.461 5.139 0 1 HKAF C[C@]1(c2cccc(-c3ccccc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604815 YVRFNPOITDVQBG-SHQCIBLASA-N 408.453 5.936 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCOc1c2ccc2ccccc12 587609082 MEDAGHNYNYSNJV-KCWPFWIISA-N 424.452 5.575 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc2ccc(Cl)cc12 587616382 CTMMJVSOGZCIGU-SIKLNZKXSA-N 408.862 5.963 0 1 HKAF O=Cc1cc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)sc2s1 587618637 PCIHUSVSIKEDET-PXNSSMCTSA-N 408.456 5.184 0 1 HKAF O=C(Nc1c(Cl)cc(Cl)cc1Cl)n1ncc2ccc(Cl)cc2c1=O 587651432 SXSFFWGAXYSAOG-UHFFFAOYSA-N 403.052 5.090 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)c(O)c2Cl)N1 587696373 UBCYNPVIKVTVQA-NZFNHWASSA-N 405.094 5.224 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)c(O)c2Cl)N1 587698015 XWAZMJZZPDHAAY-NZFNHWASSA-N 405.094 5.224 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 587779692 DDPXUTSUTLXXLX-UHFFFAOYSA-N 416.830 6.968 0 1 HKAF CCC[C@H](CC1(c2nc3cccc(O)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782893 ZRDFDXSIMXBMNO-LJQANCHMSA-N 406.526 5.630 0 1 HKAF Cc1ccc([C@]2(C3CCCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587818828 KDAQKBHVKNIQRD-QRQCRPRQSA-N 402.351 5.865 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3cc(O)ccc3c2)N1 587830249 CGWJHTHMVNQYRU-XUSGNXJCSA-N 400.291 5.245 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ccc(O)cc3)n2)N1 587849896 BPCRQRQSJXUQCC-MGNBDDOMSA-N 419.319 5.041 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccsc2)N1 587852616 HRALJXBHJGDQSE-ODXCJYRJSA-N 402.332 5.940 0 1 HKAF Clc1cc(Br)cc(-n2c(-c3ccccc3)ccc2-c2ccccc2)c1 587939456 DTTRUFULFBTAFZ-UHFFFAOYSA-N 408.726 7.227 0 1 HKAF c1ccc(-c2csc3ncnc(N4CCC(CNCc5cccs5)CC4)c23)cc1 653676019 FGVMKDCOAGQONL-UHFFFAOYSA-N 420.607 5.426 0 1 HKAF Cc1c(F)ccc2c1[C@H](c1c(-c3ccc4c(c3)CCCC4)[nH]c3ccccc13)NCC2 962092090 LTGUOZKGDNZSKW-MUUNZHRXSA-N 410.536 6.396 0 1 HKAF CC1(C)CC(Nc2ccccc2N)=C[C@]2(C1)NCCc1cccc(-c3ccccc3)c12 962665999 LXQDEFVDNHKEHR-MUUNZHRXSA-N 409.577 6.093 0 1 HKAF Cc1sc2c(c1C)CCN[C@]2(Cc1sccc1Br)c1ccco1 963009752 DIQOZDBZPXLFPK-GOSISDBHSA-N 408.386 5.414 0 1 HKAF Cc1sc2c(c1C)CCN[C@H]2c1ccc(Br)cc1Br 963027622 QEMVYUPJTZWQBT-AWEZNQCLSA-N 401.167 5.125 0 1 HKAF COc1cccc2cc3c(nc12)[C@](c1ccc(C)cc1)(c1cccc(Cl)c1)NCC3 963046962 NDXPHVZOCPEJBS-SANMLTNESA-N 414.936 5.643 0 1 HKAF CCOC(=O)CCc1cccc(-c2cc(C)cc(Nc3nccc(C4CC4)n3)c2)c1 1772615084 WEANZFXFNRCVOQ-UHFFFAOYSA-N 401.510 5.569 0 1 HKAF CC(C)=CCCC1=CC[C@H](C(=O)Nc2ccc(C(=O)O)cc2)[C@@H](c2ccccc2)C1 1911578333 PPPBWPZMOZTBJL-BJKOFHAPSA-N 403.522 6.190 0 1 HKAF CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)OC[C@H](O)CO 2356284984 IDSLCYURGAOTOA-XMMPIXPASA-N 404.591 5.585 0 1 HKAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@]3(C)CC[C@@](C)(C=CC(=O)O)C[C@@]3(C)CC[C@]21C 2356392861 RFUWXMLQNIWPAD-NNRYINNASA-N 414.630 6.662 0 1 HKAF C[C@@H]1[C@@H](N(C)C)CC[C@]23C[C@@]24CC[C@]2(C)[C@H]([C@@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13 2356425028 CYRRFNXMEABDML-PBQARCCKSA-N 400.695 5.916 0 1 HKAF COc1cc2c(c(C)c1-c1c(C)cc(OC)c3c(OC)cccc13)C(C)=N[C@@H](C)C2 2356469474 OZTUUTKWRGIPDM-HNNXBMFYSA-N 403.522 5.903 0 1 HKAF CC(=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)[C@H](C)C(C)C 2356501388 XOTDQICKJVYJLO-ZUZJONHDSA-N 400.691 7.491 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CCC2=C3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 2356507865 IZXQUMVHHUTUOE-MEWZOWSLSA-N 412.702 8.089 0 1 HKAF COc1ccc2c3c(c(=O)oc2c1)[C@](C)(CCC=C(C)CC(=O)CC(C)C)[C@@H](C)O3 2356725248 BARNHVLIPVGYOX-CRICUBBOSA-N 412.526 5.572 0 1 HKAF CC(C)[C@@H](C)C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356803066 WRNDTGGWXREMJF-LJUXCICSSA-N 414.674 6.382 0 1 HKAF CC(C)=CCN1C(=O)[C@]2(O[C@H](C)CC3=CCC[C@@H]32)c2c(Br)cccc21 36381957 WNIVGPRDFFPVKC-IVZHQMGZSA-N 402.332 5.102 0 3 HKAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2c1cc(C(F)(F)F)[nH]n1 195317954 VDGOOKRFIJJCSX-QZRQRXROSA-N 410.524 5.916 0 3 HKAF CN1CCCC[C@H]1[C@@H](NC(=O)c1cccc(C(F)(F)F)c1Cl)c1ccccc1 3819066 XPXKFXNVIAOBEI-HKUYNNGSSA-N 410.867 5.314 0 1 HKAF in-vitro COC1(c2ccccc2)CCN(CCCC[C@@]23CCCc4cccc(c42)NC3=O)CC1 13473705 CDDHUZMECJQZTG-AREMUKBSSA-N 418.581 5.021 0 1 HKAF c1cc(CNCc2cccc3ccccc23)cc(CNCc2cccc3ccccc23)c1 28259040 IAFKGJDUKOQOKR-UHFFFAOYSA-N 416.568 6.573 0 1 HKAF O=C(NC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc2ccccc2c1 28821382 STOCYDYRKOTYJF-UHFFFAOYSA-N 412.455 5.253 0 1 HKAF Cc1cc(OCc2cc(-c3ccc(Cl)cc3)on2)cc2scc(CC(=O)O)c12 28822706 GTZMHMRAOJUYKJ-UHFFFAOYSA-N 413.882 5.724 0 1 HKAF Cc1cc(O)cc2c1O[C@@]1(C)CC[C@H]3[C@@](C)(CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]43C)[C@@H]1C2 38797969 LRMHPGVONLYGQD-JQGWRLNDSA-N 412.614 6.024 0 1 HKAF O=C(O)c1cccc(-c2ncccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 40556729 KDRGQJRCUVUELE-UHFFFAOYSA-N 415.876 6.346 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C 49109893 UROOOIRPCHRDFE-RSXGOPAZSA-N 421.585 5.913 0 1 HKAF Cc1nsc(-c2ccc(Nc3nc4c(s3)CCC[C@H]4c3ccccc3)cc2)n1 73157301 ZXQCCIHUTQZQLB-SFHVURJKSA-N 404.564 6.182 0 1 HKAF CCCCCn1c(C(C)C)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 82179004 MJCMDKVELMMNCE-UHFFFAOYSA-N 405.468 5.771 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@H]1/C(=C/c1ccc(-c4cccc(Cl)c4)cc1)CN2C3 100951041 FNNDPKKFONPQIL-NMBYOYAXSA-N 421.968 5.684 0 1 HKAF Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)c(C)c(C)c1OCCO 103225940 JEDYEDGJRRMJRZ-DENIHFKCSA-N 412.595 5.464 0 1 HKAF COc1ccc(/C=C2\CCCC3=C(c4ccc(OC)cc4)Nc4ccccc4N=C32)cc1 103270111 XZZLOAAHEPUZPV-DYTRJAOYSA-N 422.528 6.881 0 1 HKAF CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2ccsc2)C2=C(O)CC(C)(C)CC2=N1 104004066 SBRWBUZICIXVAR-HXUWFJFHSA-N 407.539 5.535 0 1 HKAF O=C(c1ccccc1-c1ccccc1)N1C[C@@H]2CN(c3ccc4ccccc4n3)C[C@@H]2C1 116823340 XNCXEFDPSSQEHF-ZRZAMGCNSA-N 419.528 5.110 0 1 HKAF COCC1CCC2(CC1)NC(=O)C(c1cc(-c3ccc(Cl)cc3)ccc1C)=C2O 118695792 QUDJZAROROKQGO-UHFFFAOYSA-N 411.929 5.290 0 1 HKAF CC(=O)COc1cccc([C@H](C)Nc2cc(-c3ccc4occ(C)c4c3)nc(C)n2)c1 142145757 VGYHKDIOEGSKRS-KRWDZBQOSA-N 415.493 5.648 0 1 HKAF Cc1ccc(C(C)C)cc1N1CCc2nc(-c3cccc4[nH]nc(C)c34)cc(C)c2C1 146998190 NHPYCNCXFBMHPF-UHFFFAOYSA-N 410.565 6.236 0 1 HKAF COc1cccc(OC)c1[C@H]1CC(F)(F)C(=O)N1Cc1cccc(-c2ccccc2)c1 167865939 IQQJHNDTIRISLY-HXUWFJFHSA-N 423.459 5.480 0 1 HKAF O=C(c1ccccc1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 169326004 KLHUDMURQSAHAW-UHFFFAOYSA-N 406.290 5.025 0 1 HKAF O=C(/C=C\c1ccc(F)cc1)NC1CCC(CCN2CCc3ccccc3CC2)CC1 206856388 PKAAKDKAQKIIAF-ZROIWOOFSA-N 420.572 5.005 0 1 HKAF Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1-n1cc(-c2cccnc2)cn1 473249629 XEXBRZPNVDDJRA-UHFFFAOYSA-N 422.410 5.514 0 1 HKAF O=C(O)/C=C/c1ccccc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586878150 ALZVBVMKOJQUNM-AATRIKPKSA-N 400.278 5.365 0 1 HKAF OCCCCCCCCCCCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586894604 OAHDNZSAIVPPCX-UHFFFAOYSA-N 406.876 6.161 0 1 HKAF Fc1cc(Cl)cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586986727 ZYORYWFGTXFGDB-QGZVFWFLSA-N 408.702 5.303 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cccc(F)c3Br)nc3ccc(O)c1c23 586986947 RLAOWPCHYAJVPB-UHFFFAOYSA-N 420.237 5.720 0 1 HKAF CC(C)Oc1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 587011430 PBZMDFZPMFIBAI-UHFFFAOYSA-N 420.559 7.117 0 1 HKAF C/C=C\C[C@@H]1c2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C[C@@H]1CC(=O)OC 587098271 QBHJPLXWSXRFOO-UIZHIOIMSA-N 411.501 5.540 0 1 HKAF CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1c1nc3cccc4c3c(c12)-c1ccccc1C4=O 587105992 JFBHZNVUYXIXMU-KUHUBIRLSA-N 412.489 5.615 0 1 HKAF FC(F)(F)c1cc(Cc2nc3cncc(Br)c3[nH]2)cc(C(F)(F)F)c1 587110358 SCKRYBORUNBWTB-UHFFFAOYSA-N 424.142 5.349 0 1 HKAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587151626 TVZBLIRLIKHWFT-SSDOTTSWSA-N 421.163 5.762 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587192686 ZGKCAKSXSZYBSB-KRWDZBQOSA-N 409.383 5.076 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2ccco2)[C@@H]1c1ccc(F)cc1 587337500 RUAWXWOYEMSUHN-ILBGXUMGSA-N 418.395 5.566 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2C2CCCCC2)[C@@H]1c1ccc(F)cc1 587347493 AZAVSUQZADAKJY-FBILRYNDSA-N 408.513 6.400 0 1 HKAF COc1cccc(-c2cc(COc3cccc(C=O)c3)nc3c2oc2ccccc23)c1 587362791 KHHBXTDBCAAUBR-UHFFFAOYSA-N 409.441 6.048 0 1 HKAF CCC[C@]1(c2cc(C)sc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587377194 QXRJSTQGJFDDSC-LADGPHEKSA-N 410.510 6.264 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](C(=O)OCC)C(C)C)CC2=O 587476726 AKURNRKMWLEQNE-RDGATRHJSA-N 410.510 5.041 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ncc(-c3ccc(C(C)(C)C)cc3)o1)CC2=O 587491069 RNNRHKHAKFWLBZ-NRFANRHFSA-N 405.494 6.004 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1sc(-c3ccc(C)n3C)nc1C)CC2=O 587493429 HGBXVJIZLIOIQR-QHCPKHFHSA-N 410.539 5.304 0 1 HKAF O=C1C[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)Oc2c1ccc1c2CCCC1 587505541 HTKFMUKMMCGIDR-QFIPXVFZSA-N 412.407 6.551 0 1 HKAF O=C(N[C@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1)OCc1ccccc1 587514988 ZGGBXSDULUXLRN-RXFWQSSRSA-N 419.521 5.138 0 1 HKAF Cc1cc(C)c2[nH]c3c(c2c1)CC[C@@]31Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591854 XEDZHGGVYIYTKW-RLWLMLJZSA-N 411.457 5.294 0 1 HKAF COc1ccc(-c2ccccc2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587598516 BJJZQJSKOVJJFE-RPLLCQBOSA-N 424.452 5.771 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2cccc(O)c2)c1 587610112 PSUQQXSOIWVLFK-JYFHCDHNSA-N 410.425 5.468 0 1 HKAF Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2Cn2ccnc2)cc1 587623407 SORLXLFOURSNTD-UHFFFAOYSA-N 406.287 5.027 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(C(C)(C)C)cc3)c2c1 587642481 SLHIXCYCSSBQMZ-AWEZNQCLSA-N 401.472 7.229 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1Cc1cccc(C(F)(F)F)c1 587655536 LUWKEIUZKXODNX-UHFFFAOYSA-N 416.349 5.409 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCCCF)cc2)N1 587714607 GIWBDFJMJFPARR-RBZFPXEDSA-N 410.302 5.124 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2OCC2CC2)N1 587727089 AHFTXRWOTQUQGU-GIPWTMENSA-N 408.286 5.140 0 1 HKAF Cc1cccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 587819779 NMIQKQXQCYXGNP-IQMFZBJNSA-N 410.330 6.187 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C3CC3)oc3ccc(O)cc23)N1 587829373 QKTXYDVEYFFPOS-SBKAZYGRSA-N 416.290 5.541 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2sccc2Br)N1 587842852 GQICAXTZQZQLKC-GLEZIHRCSA-N 419.157 5.210 0 1 HKAF COc1ccc2sc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587855813 GXQKVLMFGAXAHH-DGIBIBHMSA-N 406.320 5.435 0 1 HKAF FC(F)(F)c1ccc([C@@H]2CC(c3ccc4c(c3)OCCO4)=NN2c2ccccc2)cc1 653905715 BYYHGRDJZQAFDJ-NRFANRHFSA-N 424.422 5.832 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@H]1c1ccc(-n2ccnc2)c(Cl)c1 962378728 ZJDGJZCWFFONHI-JOCHJYFZSA-N 408.958 5.073 0 1 HKAF COc1ccc2c(c1OC)[C@]1(C(C)=COc3c(Cl)cc(Cl)cc31)N(C)[C@@H](C)C2 962631077 IZQOGIGTEHEGEL-WHEQGISXSA-N 420.336 5.427 0 1 HKAF COc1cccc2cc([C@H]3c4ccccc4C[C@H]4CN(c5ccccc5)CCN43)oc12 962641057 NBJPVEYDUSJVCQ-BKMJKUGQSA-N 410.517 5.278 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2c[nH]c3cccc(OCc4ccccc4)c23)N1 962942834 CCDIWGSMUJATLK-GDJIYFAZSA-N 421.544 6.242 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CSc2nc(C)c(C)c(O)n2)(C(C)(C)C)N1 962960296 WNXTXIOWEMVDPW-FYSMJZIKSA-N 424.614 5.238 0 1 HKAF CCSc1ccc([C@@]2(CCCC(=O)O)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963094673 CMNMPMIAXIILTE-CYFREDJKSA-N 413.558 5.457 0 1 HKAF CCCN1[C@H](c2c[nH]c3cc(OCc4ccccc4)ccc23)c2ccccc2C[C@H]1C 963241742 NWPUBCSRPCMXCO-NGOKVRLYSA-N 410.561 6.493 0 1 HKAF CCCc1cccc([C@@H]2c3ccc(C)cc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)c1 963915368 MMFIPOCXUWGHEO-ZJSXRUAMSA-N 423.553 5.673 0 1 HKAF COc1cc2c(cc1C(=O)Nc1ccc(F)cc1)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C 1772571659 QBABTUWZPWBBEJ-WRALFONMSA-N 411.517 5.088 0 1 HKAF CNc1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2F)ncn1 1772651085 RHFJSQKINYLHQG-UHFFFAOYSA-N 422.247 5.401 0 1 HKAF COc1cc2c(cc1CC=C(C)C)C(=O)C[C@@H](c1ccc(Oc3ccccc3)cc1)O2 1857629807 IPNLZIVXFGSARF-SANMLTNESA-N 414.501 6.703 0 1 HKAF COc1cc(N[C@H](C)CCCNC(=O)/C(C)=C/c2ccccc2)c2ncccc2c1 1857632459 UQWCYNBKLFYYDR-LRXXLLMYSA-N 403.526 5.044 0 1 HKAF CC[C@@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)NC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 1911574398 SEDJNDCEFGRADD-NHGNFSCUSA-N 412.662 6.420 0 1 HKAF Cc1cc(C)c(-c2cccc(N)n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 1911574614 JDUTVKVDOQGKTH-UHFFFAOYSA-N 424.504 5.174 0 1 HKAF CC(=O)OCc1cc(O)c2c(c1)[C@H]([C@H](C)CCC=C(C)C)[C@H](OC(C)=O)C[C@H]2C 2356418619 PKMNHSSVMBTKOL-MYNHACEVSA-N 402.531 5.360 0 1 HKAF CC=C(C)c1c(Oc2cc(O)c(Cl)c(C)c2C(=O)OC)cc(C)c(O)c1Cl 2356625252 FRONXIYLAGGHEB-UHFFFAOYSA-N 411.281 6.024 0 1 HKAF C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCCN5CCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C 5844996 PDWOMRLKPDZJKU-ZVBSOXDTSA-N 414.634 5.169 0 1 HKAF Nc1ccccc1NC(=O)CCCCCCC(=O)c1ccc(-c2cccnc2)cc1 13588616 FNFQNQNCCZPBLG-UHFFFAOYSA-N 401.510 5.493 0 1 HKAF Cc1ccccc1-c1nc(CCC(C)(C)C)c(C(=O)Nc2cccc(C(=O)O)c2)[nH]1 13674694 KKTWRFYXOJMDRW-UHFFFAOYSA-N 405.498 5.314 0 1 HKAF COc1ccccc1[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 13741239 FPYRIFNCEWMAJB-SANMLTNESA-N 421.540 5.927 0 1 HKAF Cc1ccc(NC(=S)O[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 25978146 SHVBGIJQWVPGND-SFHVURJKSA-N 406.338 5.653 0 1 HKAF COc1ccc([C@H]2CN(c3ccc(OC)cc3)C(=O)[C@@H]2CCCc2ccccc2)cc1 26742854 BSKPRFKZFHPZLO-CLJLJLNGSA-N 415.533 5.473 0 1 HKAF Cn1nc(C(F)(F)F)c(/C=C2\SC(=S)N=C2O)c1SCc1ccccc1 28822806 OKHCDLNRANULSC-XFFZJAGNSA-N 415.487 5.060 0 1 HKAF CCC(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)=C(C)C 33833819 STLJXSQSUAPXFX-GAXYEMJKSA-N 412.702 8.089 0 1 HKAF O=C1CS[C@H](c2ccc(Cl)cc2)N1CCNc1ccnc2cc(Cl)ccc12 35091157 LAHRTVAEFSCGBS-HXUWFJFHSA-N 418.349 5.228 0 1 HKAF O=C(c1ncc(-c2ccccn2)[nH]1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 38876273 UPFNTRSCXDSHMP-UHFFFAOYSA-N 412.880 5.359 0 1 HKAF Cc1cc(SCc2cc(-c3c(Cl)cccc3Cl)no2)ccc1OCC(=O)O 40567034 ZSAPXRXIOZHBRQ-UHFFFAOYSA-N 424.305 5.713 0 1 HKAF O=C(Cc1c[nH]cn1)Nc1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)s2)c1 45195468 LVTLMABOHJSAAZ-UHFFFAOYSA-N 417.469 5.002 0 1 HKAF CN(C)CC(C)(C)CNc1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn12 72183109 OIRPBIAQSYSCMP-UHFFFAOYSA-N 417.532 5.202 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccncc2)C[C@H](c2ccc3c(c2)OCO3)C1 103998845 XPFDAXFUXWEJAI-SSOJOUAXSA-N 411.461 5.439 0 1 HKAF COc1ccnc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1ccc2oc3ccccc3c2c1 139843309 KZHOUIVIZGUISG-BEFAXECRSA-N 416.477 5.108 0 1 HKAF Cc1cc(F)ccc1Oc1cc(C(C)(C)C)ccc1C(=O)Nc1ccc(C(=O)O)nc1 143191502 AQRWRKNSKFWYIA-UHFFFAOYSA-N 422.456 5.569 0 1 HKAF CC(=O)[C@@H](CCCCCCC(=O)O)CCC[C@H](O)COc1ccc(C(C)(C)C)cc1 169316946 IOWSXDNPRCVHGW-UNMCSNQZSA-N 420.590 5.525 0 1 HKAF O=S1(=O)C(c2ccccc2)=C(c2ccccc2)[C@@H]2[C@H]3CC[C@@H](C3)[C@]21N1CCCCC1 169345592 UKYDGBIQJSMNLJ-MTTURAJASA-N 419.590 5.212 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2/C(=C/c3occ4c3C[C@H](O)CC4)CCC[C@]21C 195154361 JDORDYYPUXBNLV-WTXXXTJXSA-N 414.630 6.306 0 1 HKAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(Oc3ccccc3)c2)n1 221305696 RFKWHWTWIQHNBA-LAUBAEHRSA-N 418.497 5.423 0 1 HKAF CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H](CC[C@@]21C)O3 238740550 IKUYBMRKMWNUMR-QVXYHUMFSA-N 414.674 7.137 0 1 HKAF CC1(C)C=C[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1 257402587 DAYKSLOBCZJGHS-PMBZNHQKSA-N 424.713 7.945 0 1 HKAF endogenous,in-man Cn1c(C(=O)c2ccc(Oc3ncccc3-c3ccccc3)cc2)nc2ccccc21 299856796 CDMFRKAAVZIALT-UHFFFAOYSA-N 405.457 5.659 0 1 HKAF CCCC(Br)(CCC)c1nc2ccc(OCc3ccccc3)cc2[nH]1 586971635 WLTXLABWFMONGL-UHFFFAOYSA-N 401.348 6.332 0 1 HKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(C(C)(C)C)nc2[nH]1 586982730 PFUOIUKTIUXOSP-INIZCTEOSA-N 414.391 6.390 0 1 HKAF Cc1cc(C)c2[nH]c(-c3ccccc3OCc3ccc(Br)cc3)nc2c1 586999116 VXINKFKPLQHSKM-UHFFFAOYSA-N 407.311 6.188 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(/C=C\c3ccsc3)[nH]c12 587025092 GFIDIXVTGRMPOY-WTKPLQERSA-N 413.424 6.066 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c(C)cnc(Cl)c3[nH]1)N2 587032994 WWRKWNPRGLBHHC-OTXQMUPVSA-N 419.963 5.047 0 1 HKAF COc1cc(-c2nc3ccc(Br)c(C)c3[nH]2)cc(Cl)c1OCC(C)C 587044632 JPRHQTLPFHYHTM-UHFFFAOYSA-N 423.738 5.998 0 1 HKAF Clc1cccc(/C=C\c2nc3c(Cl)c(Br)cnc3[nH]2)c1Cl 587053904 JJFIOHPXXYASMO-PLNGDYQASA-N 403.494 5.851 0 1 HKAF CC[C@H](Oc1ccccc1Cl)c1nc2c(Cl)c(Br)cnc2[nH]1 587061722 IVBVAKLTPFOWGQ-JTQLQIEISA-N 401.091 5.557 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ncc(Cl)cc3Br)nc3cccc1c23 587102123 RDENJZSLVLDLRG-UHFFFAOYSA-N 421.681 5.924 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(Br)cc(F)c1C3 587104031 MKAQGCZKJAEVJJ-UHFFFAOYSA-N 416.249 5.919 0 1 HKAF COc1ccccc1-n1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cn1 587105321 YISYJQYRTWOFLQ-UHFFFAOYSA-N 403.441 5.308 0 1 HKAF Fc1cc(Br)ccc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 587142924 RCUXTDBMBONELT-UHFFFAOYSA-N 405.999 5.172 0 1 HKAF FC(F)(F)c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 587183968 MLOUIPJYJBRMMD-DAXSKMNVSA-N 414.168 5.357 0 1 HKAF C[C@]1(c2cccc(Cl)c2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327183 FNYXAKLSRGJVCL-SIKLNZKXSA-N 417.263 6.112 0 1 HKAF CCc1ccc2c(c1)[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359334 RJHDIDSAFBGAJJ-ZCYQVOJMSA-N 404.437 5.131 0 1 HKAF CC[C@@H](C)Oc1c(Cl)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587418643 AKUSBEMVULYISS-GKABBXAVSA-N 402.874 5.023 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(Cl)c(OC)ccc3c1)CC2=O 587463826 YZGDILIRHUOHOF-DEOSSOPVSA-N 410.897 6.041 0 1 HKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1C[C@H]3C[C@@H]2C[C@@](Br)(C3)C1 587497820 DITWLGQGOFVHET-SYUGIOTNSA-N 401.344 5.243 0 1 HKAF O=C(Oc1cccc2c1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 587524613 PFQXWBQHUUDWAI-MUUNZHRXSA-N 424.496 5.592 0 1 HKAF CCSc1cc(Br)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587532764 OGCWVJQMPIRKHA-IBGZPJMESA-N 417.368 6.146 0 1 HKAF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]c2c(Cl)cccc12 587551420 FEUDFFNUANHCNW-WZONZLPQSA-N 405.837 5.538 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc2cccnc12 587552550 SHJIBJQZKUDSOC-AUSIDOKSSA-N 403.821 5.297 0 1 HKAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(-c3nc4ccccc4[nH]3)c2c1 587650136 YGLJTLUBVXMLSW-UHFFFAOYSA-N 421.909 5.435 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(F)ccc2F)(C(F)(F)F)N1 587706574 QTPDRRFBMYILIF-VPTHRUTESA-N 424.182 5.207 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)(F)F)c(Cl)c2)N1 587714570 VZVBDVOFOSMOHK-VPTHRUTESA-N 422.647 5.884 0 1 HKAF CC[C@]1(c2c(F)cccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 587714689 BADQAWPYGIHZFE-MGNBDDOMSA-N 400.694 5.569 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OC(F)(F)F)N1 587715621 CFUDJFAPHFUYSM-ABKXIKBNSA-N 404.201 5.110 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)cc2)N1 587715679 RVVKVXILHMYHML-BMLIUANNSA-N 402.229 5.405 0 1 HKAF CC(C)Oc1ccc(CC[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587792785 MTUKZHVGWFMYSL-IFXJQAMLSA-N 406.339 5.584 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(=O)C3CCC3)c2)N1 587816276 VYXUKSIPLFIBPP-MPBGBICISA-N 402.307 5.195 0 1 HKAF Cc1ccccc1-c1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587821050 SPQBPZIHBZBWBF-NPMXOYFQSA-N 410.330 6.187 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccsc3)nc2)N1 587854615 REQDEPMSYYMUTN-WLRWDXFRSA-N 403.320 5.335 0 1 HKAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(Br)c(C)c3[nH]2)cc1 587933648 UJAUWJHGFNCSMX-FQEVSTJZSA-N 407.311 5.823 0 1 HKAF Fc1ccccc1-c1ccc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)o1 962634056 HCSQNUSBZPZTBF-SKCUWOTOSA-N 424.519 5.922 0 1 HKAF Cc1cc(Cl)ccc1[C@@]1(C)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963185630 RUOJUCRGRMXPLA-SJLPKXTDSA-N 418.242 5.183 0 1 HKAF Cc1cc(-c2nc(-c3ccc(Cl)c(C(F)F)c3)n3c2CCOCC3)cc(C)n1 1772628178 MPCPWTZBCYORMX-UHFFFAOYSA-N 403.860 5.393 0 1 HKAF CCOc1cc(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)cc(OCC)c1O 1857570526 GEESGRNHYLBYGX-UHFFFAOYSA-N 406.507 5.975 0 1 HKAF CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4CCCC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356285659 DYMJMYRIBWWKMH-PIYPIFEUSA-N 414.718 8.025 0 1 HKAF CC(C)=CC(=O)OCC1=CCC[C@H]2[C@@](C)(CCc3ccoc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c1ccc(NC(=O)Nc2nc([C@H](N)c3ccccc3Cl)cs2)cc1 61927793 ZUSNGCMKPYMDEV-GOSISDBHSA-N 400.935 5.612 0 3 HKAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1cnn(-c3ccc(F)cc3)c1N2 6482569 YCVJEIIUIBLCAU-UKNJCJGYSA-N 421.560 5.262 0 1 HKAF Oc1cc(NCCCN[C@@H]2CCc3c(Cl)cc(Cl)cc32)nc2ccccc12 13487796 TYDKIWXWMQGFBW-GOSISDBHSA-N 402.325 5.326 0 1 HKAF CCCCc1ccc(C2=NN(S(=O)(=O)c3ccc(CCCC)cc3)CCC2)cc1 13557100 XWHKRVIJWNWBMW-UHFFFAOYSA-N 412.599 5.561 0 1 HKAF CCCCCn1cc(C(=O)N[C@H](C)c2ccc3ccccc3c2)c(=O)c2ccccc21 13678341 BOURBCAYHOFUDB-LJQANCHMSA-N 412.533 5.836 0 1 HKAF COc1c(Br)cc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc1C(C)(C)C 13780160 NWSAURDZWOHHFM-AUWJEWJLSA-N 420.734 5.901 0 1 HKAF CCOC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc1ccc(Cl)cc1Cl 13862190 OBOGTBJFQCODDM-UHFFFAOYSA-N 421.280 5.479 0 1 HKAF Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@@H]2C(C)(C)C(=O)O 28566300 JEFUCHIBJHJCTM-NRFANRHFSA-N 405.494 5.412 0 1 HKAF O=C(O)COc1c(O)cc(-c2ccccc2)cc1OCc1ccc(C(F)(F)F)cc1 28825957 TVGUNUUJRZCCRN-UHFFFAOYSA-N 418.367 5.120 0 1 HKAF CC(C)SCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 40368786 ABMKCJQMQXHKCT-DQRWPFNMSA-N 404.704 7.094 0 1 HKAF COc1ccc(CNCc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)cc1 45188590 DVKIOYQCBWQYFD-UHFFFAOYSA-N 419.528 6.195 0 1 HKAF c1ccc(COc2ccc(Cn3nccc3-c3ccc(-n4ccnc4)cc3)cc2)cc1 45189116 VZGCCNVKGCROGG-UHFFFAOYSA-N 406.489 5.363 0 1 HKAF Cc1cccc(-c2ccccc2)c1Oc1nc(N)nc(NCc2ccc3occc3c2)n1 64539299 DJHYSMKKGDNTER-UHFFFAOYSA-N 423.476 5.580 0 1 HKAF COc1cc2nc(N3CCCCCC3)nc(NC[C@H](C)c3ccccc3)c2cc1OC 82127046 TUZYQBGRDLTBTE-SFHVURJKSA-N 420.557 5.243 0 1 HKAF COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)NC2CCCCC2)cc1 95591691 JSAKVNVQUTZKNO-JDHQLRNLSA-N 421.537 5.345 0 1 HKAF Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)C[C@H]1COCC[C@@H]1N1CCCC1 96170670 KIEUEUXRWPSMDL-BBRMVZONSA-N 423.397 5.106 0 1 HKAF CCCNC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 103185425 NKPZBBDRVLRTLX-UHFFFAOYSA-N 401.677 5.398 0 1 HKAF COc1cc(C(=O)OCC=C(C)C)nc2c(OC/C=C(\C)CCC=C(C)C)cccc12 219778978 SYPFLYIREKEJIJ-XSFVSMFZSA-N 423.553 6.438 0 1 HKAF CCOc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3n2C[C@@H](C)OCC3)cc1Cl 220996527 LFHKUCYPFAQQRG-MRXNPFEDSA-N 411.933 5.242 0 1 HKAF CC1(C)CC[C@]2(C)CC=C3[C@@](C)(CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 238768369 YZXXDCMEYOSCRT-DULDIKPFSA-N 410.730 9.198 0 1 HKAF CC1=C(O)[C@@H](C[C@H](C)CC/C=C(\C)CC/C=C(\C)CCCc2ccoc2)OC1=O 238775640 KMWTVCMTGSLJFU-ARDFBARUSA-N 400.559 6.839 0 1 HKAF CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1cc(-c2ccccc2F)nc2ccc(OC)cc12 299853019 DFOGUDXCDUKCIC-HKZFZQDASA-N 420.528 5.203 0 1 HKAF COc1cc(/C=C/c2ccc(C(F)(F)F)cc2)c(C(=O)O)c(O)c1CC=C(C)C 473083204 AZCVLZAZCNZVBP-VMPITWQZSA-N 406.400 5.797 0 1 HKAF Oc1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccccc2)n1 473161121 ZXSGFWVBKHFTBY-UHFFFAOYSA-N 404.469 6.248 0 1 HKAF CCS(=O)(=O)c1ccc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c2c1 587011822 KZSWIYXJTOPWHA-UHFFFAOYSA-N 417.943 5.109 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)c(F)c(F)c3[nH]2)C[C@H]2CCCC[C@@H]21 587027837 STRSGOMZEZMJLR-KCXAZCMYSA-N 419.472 5.117 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5cccc(F)c5[nH]4)c23)cc1 587039388 UHSXQKMMGFVDTJ-UHFFFAOYSA-N 406.511 5.974 0 1 HKAF CCOC(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1 587095020 MQWXGBQTUYCWNA-UHFFFAOYSA-N 402.294 5.444 0 1 HKAF CCn1c2ccccc2c2cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)ccc21 587105298 XFNNWTLZNWMTCI-UHFFFAOYSA-N 424.503 7.241 0 1 HKAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2cncc(Br)c2[nH]1 587128110 GLOKOGWYISYURW-UHFFFAOYSA-N 407.243 5.449 0 1 HKAF CCc1ccccc1NC(=O)c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1 587240411 DGKDJFJMTIDNSY-UHFFFAOYSA-N 401.310 5.415 0 1 HKAF COc1ccccc1Nc1ccccc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587240903 KMALGYBJCIATHS-UHFFFAOYSA-N 417.818 6.654 0 1 HKAF CC[C@H](OC)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587345002 DKZBENJKWZATNG-FBILRYNDSA-N 420.480 5.903 0 1 HKAF CO[C@H](C)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587346519 JETAWSAONKBNPV-GKLUMCFYSA-N 406.453 5.513 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2C2=CCCCC2)[C@@H]1c1ccc(F)cc1 587355837 WSBSVVBCBZYKMH-NOOIUNMQSA-N 406.497 6.320 0 1 HKAF COc1cccc(-c2cc(CCc3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 587357991 NSZWFTZYJSFFNY-UHFFFAOYSA-N 413.904 7.095 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1c(-c3ccccc3)nn(C)c1Cl)CC2=O 587462384 QADPWLHXPNLNBL-QHCPKHFHSA-N 410.901 5.279 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCCC(=O)OCC)(c1ccc(F)cc1)CC2=O 587465515 DXTZKOKLOHFGPV-XMMPIXPASA-N 414.473 5.078 0 1 HKAF O=C1C[C@@H](c2ncc(-c3ccc(Br)cc3)[nH]2)Oc2c1ccc1c2CCCC1 587496526 HWQKCCLEKMGQPD-FQEVSTJZSA-N 423.310 5.425 0 1 HKAF CC1(C)C[C@@H]([C@]2(Cc3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)CCO1 587536739 WDRIISGANNCIAB-IDISGSTGSA-N 404.550 5.717 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cc2ccccc2)ccc1O 587607343 ICSCXZKRAWRHGV-RPLLCQBOSA-N 424.452 5.392 0 1 HKAF CC(C)c1cccc2c1OCCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607561 HYDGSFLXUFYKPX-BKMJKUGQSA-N 416.473 5.545 0 1 HKAF Cc1ccccc1-c1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587613089 NILPAAURKSDUGK-NFBKMPQASA-N 415.470 5.527 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OCC2CC2)N1 587700572 UYOGOZHFWPZOMF-GIPWTMENSA-N 424.741 5.654 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2F)(C(F)(F)F)N1 587701251 CDKUBYOMKOPXEX-FVMDXXJSSA-N 406.192 5.067 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CCC(F)(F)F)c2)N1 587708954 GOQOHYXKXGOGCG-VOJFVSQTSA-N 416.256 5.707 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)ccc2Cl)N1 587712307 OIQPWUDRHQFOFI-ZKANADHPSA-N 422.647 5.884 0 1 HKAF CCC[C@@H](CC1(c2nc3cncc(C)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781771 NGRQTTACLCFDRR-FQEVSTJZSA-N 405.542 5.628 0 1 HKAF CC(C)CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587794664 PIQIYXALLKUZTA-OYHNWAKOSA-N 420.366 5.811 0 1 HKAF CC[C@@H]1c2cc(OC)ccc2CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587806795 JKKDHENFOGPBJM-FIRDEBMASA-N 418.350 5.466 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2sc2ccccc32)N1 587858414 QEIIYEVBDOUCFW-QKVFXAPYSA-N 416.359 5.917 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc3ccc(Cl)cc23)N1 587859110 VRHOWTXTBAERSK-LZVRBXCZSA-N 410.739 6.080 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2c(C)cccc2s1 587867441 ZEQYKTOUXCUSBQ-UHFFFAOYSA-N 403.429 5.875 0 1 HKAF CCCCOc1cc2nc(C[C@@H](C)c3cccc(OC)c3)[nH]c2cc1Br 587929708 DAMNMVPGIFVBGT-CQSZACIVSA-N 417.347 5.859 0 1 HKAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(Br)c(C)c4[nH]3)c2)c1 587932150 OOAQUUNCHQKMBZ-UHFFFAOYSA-N 409.283 5.682 0 1 HKAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(C(F)(F)F)c(Cl)cc4[nH]1)(C3)C2 587950912 OQKUNDYYEURLNX-ORMMXULVSA-N 412.839 5.389 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(C)nc2[nH]1 587958362 FLZSWGMTODAEAR-ZACMJQCDSA-N 417.641 8.121 0 1 HKAF COCCCN1CCc2ccc(OC)cc2[C@@]1(CC(C)(C)C)c1cc(F)cc(F)c1 961327068 SPLCTDBOSRDDMQ-RUZDIDTESA-N 417.540 5.548 0 1 HKAF COc1ccc2c(c1OC)[C@H](c1cccc(OCc3cccc(F)c3)c1)N(C)[C@@H](C)C2 962569054 MBLANPLOOHEHNH-GKVSMKOHSA-N 421.512 5.388 0 1 HKAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@](c3ccsc3)(C3CCCCC3)N12 962659018 FCXUVSSJLKCCRG-RPBOFIJWSA-N 420.578 5.219 0 1 HKAF CCn1cc([C@@H]2NCCc3cccc(-c4ccccc4)c32)c2c(C(=O)OC)cccc21 962676274 YHXWSCIIMAVEMM-SANMLTNESA-N 410.517 5.350 0 1 HKAF Fc1cccc(CC[C@@]2(c3ccc(Cl)c(F)c3)NCCc3nc4ccccn4c32)c1 962984611 NGWQIVCCRFOXPI-DEOSSOPVSA-N 423.894 5.288 0 1 HKAF Cc1onc(-c2ccc(F)cc2)c1[C@]1(C)c2ccsc2CCN1Cc1cccnc1 962999562 SKPWNOZWLFJEAW-DEOSSOPVSA-N 419.525 5.567 0 1 HKAF CCC[C@@H](C)N1CCC(N(Cc2ccccc2)C(=O)Nc2ccc3c(c2)OCO3)CC1 1772570740 FNLHOPZUOLWLFS-LJQANCHMSA-N 423.557 5.102 0 1 HKAF O=c1c2ccccc2oc2c(Cc3ccc(O)cc3)[nH]c(-c3ccc(Cl)cn3)c12 1772612943 GHCBJWXCDOCOGF-UHFFFAOYSA-N 402.837 5.286 0 1 HKAF COC(=O)N1C(C=CC=Cc2ccc(OC)cc2)=Cc2ccccc2[C@H]1CC(C)=O 1857622427 PSOQXJJOHWTUNT-XMMPIXPASA-N 403.478 5.408 0 1 HKAF COC(=O)C(C)=CC=CC=C(C)C=CC=C(C)C=C[C@@]1(O)C(C)(C)CCC[C@@]1(C)O 2356603594 GEKLHUINVVEIBY-CLJLJLNGSA-N 414.586 5.359 0 1 HKAF C[C@]1(c2nnc(-c3ccc(Cl)cc3)o2)CC(c2c(Cl)cccc2Cl)=NO1 13660351 SBKROXDEKFYLAJ-GOSISDBHSA-N 408.672 5.737 0 3 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1ccc(Cl)c(C)c1)Oc1ccccc1-3 3831964 MMQYPFTZXJAWGY-RUZDIDTESA-N 401.937 7.405 0 1 HKAF Cc1ccc(Cl)c(Nc2ccccc2C(=O)NOCc2ccccc2)c1Cl 13438037 NTVDNFZZUDOSTQ-UHFFFAOYSA-N 401.293 5.907 0 1 HKAF O=C(c1cc2ccccc2[nH]1)c1cc2cc(OC(=O)c3ccccc3Cl)ccc2[nH]1 13472556 PELIICSLIWRORX-UHFFFAOYSA-N 414.848 5.753 0 1 HKAF COC(=O)CCC/C(=C\c1ccc(OC)c(Cl)c1)c1ccc(OC)c(Cl)c1 13836083 VHISYSGSIPFWDE-RVDMUPIBSA-N 409.309 5.895 0 1 HKAF CC[C@H](C)C(=O)OCCCc1cc(OC)c2oc(-c3ccc4c(c3)OCO4)cc2c1 15149516 MGCSMWCSVJYFBV-HNNXBMFYSA-N 410.466 5.359 0 1 HKAF biogenic,in-vitro COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 23191858 BJCNATUOCUEACR-UHFFFAOYSA-N 402.519 5.367 0 1 HKAF C/C(=C/C=C/C(C)=C/C(=O)O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCCCF 26658839 UFMSWCORDTZMFE-UKDZHJSKSA-N 416.577 7.010 0 1 HKAF O=C(NCCCCN1CC[C@@H]2c3ccccc3CC[C@@H]21)c1ccc(-c2ccccc2)cc1 26722520 GQTWYBPXHKYSKB-IZLXSDGUSA-N 424.588 5.668 0 1 HKAF CCCCc1ccc(-c2ccc3c(C)c(-c4ccc(C(=O)O)c(O)c4)[nH]c3c2F)cc1 34963332 BDYIBXJRPKJJNK-UHFFFAOYSA-N 417.480 6.696 0 1 HKAF CC[C@]1(c2ccc(F)c(F)c2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F 36479981 RZPZIECBKIKUJY-KRWDZBQOSA-N 404.766 5.682 0 1 HKAF CC(C)C(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 38838997 IDTRTXTWGAYTFN-KIXKDDPBSA-N 416.646 5.539 0 1 HKAF COC(=O)[C@H](Oc1cccc(C(C)(C)C)c1)c1ccc(Oc2ccc(Cl)cc2)cc1 39242683 CZRATCNRJDCHRR-HSZRJFAPSA-N 424.924 6.723 0 1 HKAF COC(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccc(Oc2ccc(C(C)(C)C)cc2)cc1 39242752 FLXQUXSXQSOKHW-QHCPKHFHSA-N 424.924 6.723 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc2[nH]ncc2c1 40914073 UYWJHPBUSXDXOJ-DOFZRALJSA-N 419.613 7.647 0 1 HKAF in-vivo CCCCCCSc1cc(Cl)c(C(=O)CCN2CCOCC2)cc1Cl 42922985 SDPLWAMOXIELLX-UHFFFAOYSA-N 404.403 5.571 0 1 HKAF CC[C@H](C)c1ccc(Nc2nc(C)cc(N(CC)CCCN3CCCCC3)n2)cc1 45337558 RKYUQHJPDKHGFC-FQEVSTJZSA-N 409.622 5.744 0 1 HKAF C[C@@H](O)CCCC12CCC(c3nnc(-c4ccccc4C(F)(F)F)n3C)(CC1)CC2 71319263 LWSUXLRGYIUHPP-NYYVNYEXSA-N 421.507 5.644 0 1 HKAF CC[C@@H](C)Nc1ncc(C(=O)N(CC)Cc2cccc(C)c2)c(-c2ccccc2F)n1 82152025 GQUOJNOMUMAZKE-GOSISDBHSA-N 420.532 5.464 0 1 HKAF CCCCCn1cc(C(=O)N[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21 101541057 ZFRFZWWSLWYYAE-IUUIHGGBSA-N 412.549 5.275 0 1 HKAF CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccccc2Cl)C2=C(O)CCCC2=N1 104697220 FEWKVXNQDZGLFR-OAQYLSRUSA-N 410.876 5.926 0 1 HKAF O=C(NC[C@H]1CN(c2ccc(C3CCCCC3)cc2)C(=O)O1)c1ccc(Cl)s1 113088325 WWOCGHITABMUNN-KRWDZBQOSA-N 418.946 5.204 0 1 HKAF CCC[C@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1O)CCCC3 113122783 KQZJWAGZEBEZMA-KRWDZBQOSA-N 409.551 6.133 0 1 HKAF COC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1 114544921 FFWPTFBKOVWYNP-YITNKKICSA-N 410.473 5.266 0 1 HKAF COc1ccc(CCN(C)CCCn2c3ccccc3c3ccccc32)cc1OC 136287864 NAMRTQPMBLSMSG-UHFFFAOYSA-N 402.538 5.376 0 1 HKAF COc1cccc(CCc2ccccc2OCc2cc(OC)c(OC)c(OC)c2)c1 169311008 DXZWAEMAAQEIJC-UHFFFAOYSA-N 408.494 5.085 0 1 HKAF Cn1cccc1/C=C/c1cc(/C=C/c2ccc(OCc3ccccn3)cc2F)n[nH]1 208971693 FIJWDFRFNMDMFF-RJECPTDASA-N 400.457 5.202 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@H]3[C@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 255212552 GMBQZIIUCVWOCD-GDZLRJHTSA-N 416.646 5.794 0 1 HKAF CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@]2(C)CC1 255260914 QIPITLICOVJMDG-XPQMPFJNSA-N 424.713 8.377 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(F)c(Cl)cc2[nH]1 586981880 VZVGABHVJQOVIH-UHFFFAOYSA-N 404.670 5.884 0 1 HKAF CC(C)Oc1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 586998828 PIMVVFVOBSPYAU-ZZXKWVIFSA-N 401.260 5.012 0 1 HKAF Cc1cc2c(Br)ccc(-c3nc4cc(C)c(Br)cc4[nH]3)c2o1 587003835 NAHWZQGKKUTJNI-UHFFFAOYSA-N 420.104 6.118 0 1 HKAF COc1cc(/C=C\c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc(Cl)c1OCC(C)C 587047020 RSAWIMHUXBIUKZ-PLNGDYQASA-N 418.852 5.267 0 1 HKAF FC(F)(F)c1nc2ccc(-c3nc4cc(Br)cc(Cl)c4[nH]3)cc2[nH]1 587120822 WKQDADCBZOUISA-UHFFFAOYSA-N 415.600 5.541 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)c(F)c1 587144389 KIEXAKWMLGBZBJ-UHFFFAOYSA-N 403.457 5.735 0 1 HKAF Fc1ccc(/C=C/c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(F)c1 587147789 BKNPKLCMFBGVMW-DUXPYHPUSA-N 419.147 5.673 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c(F)c2)c(F)c1 587152478 OISCUEALNJWQBN-UHFFFAOYSA-N 408.404 5.345 0 1 HKAF Cc1cc(Br)c2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2c1 587244977 UCZASGKPROLUSU-UHFFFAOYSA-N 406.283 5.553 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2ccco2)[C@H]1c1ccc(F)cc1 587337508 RUAWXWOYEMSUHN-ZCYQVOJMSA-N 418.395 5.566 0 1 HKAF CC(C)[C@]1(c2cc(F)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337797 VWRBCCHFMPDPIM-ISKFKSNPSA-N 412.407 5.720 0 1 HKAF C[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348776 ATRYZINZOLQGHY-XCZPVHLTSA-N 424.471 6.473 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(C[C@H]3CCCc4cccc2c43)[C@@H]1c1ccc(F)cc1 587353247 OHRZICGONVZPCS-OQRIRGNISA-N 400.449 5.609 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3ccccc3)nc1-c1ccccc1)O2 587389874 DHEWSHMLRVVXOZ-DEOSSOPVSA-N 409.489 5.196 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3cc(Br)ccc3c1)CC2=O 587457809 NRILPZFFMPYNMD-NRFANRHFSA-N 411.295 5.967 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1-c1ccc(OC)cc1)CC2=O 587475680 BVWHODAOOYRORX-SANMLTNESA-N 402.490 5.901 0 1 HKAF O=C(O)c1ccc(F)cc1-c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587503996 LNDGGLFVLXCLFB-XMMPIXPASA-N 416.448 5.776 0 1 HKAF CC(C)OC(=O)Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587516980 YPLGPDTWHVYCMN-DEOSSOPVSA-N 417.505 5.178 0 1 HKAF Cc1cccc(C(=O)Oc2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)c1 587524007 MRVXNVYCXLHKJG-RUZDIDTESA-N 412.485 5.800 0 1 HKAF CC(C)Cc1ccc([C@]2(c3cccs3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587530331 FMXADKRLWNEHKN-MHZLTWQESA-N 416.586 6.734 0 1 HKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N1CCCC1 587594594 NEDQHEHVOMDLCW-DHLKQENFSA-N 401.462 5.004 0 1 HKAF CC(C)c1ccc2c(c1)[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604080 QRXJHOABHDCIHN-OZXSUGGESA-N 400.474 5.709 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc2ccc(Cl)cc12 587616380 CTMMJVSOGZCIGU-DENIHFKCSA-N 408.862 5.963 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(C(=O)C(=O)OC)c2c1 587639133 NVYTVYNLUMRKKC-LBPRGKRZSA-N 414.299 5.467 0 1 HKAF COc1ccc(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587691955 FJLGWOABQOYUMZ-WYRIXSBYSA-N 412.730 5.242 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2F)(C2CCCC2)N1 587727242 MZWZYOJTNULMLX-YEJXKQKISA-N 406.314 5.695 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC3CCCCC3)nc2)N1 587772087 NIBVVRLQGYZADW-LRTDBIEQSA-N 419.338 5.318 0 1 HKAF CCCCc1ccc(-n2c(O)ccc2OCc2ccccc2)c(Br)c1 587937406 QUTHALDZIYPQFQ-UHFFFAOYSA-N 400.316 5.867 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c(O)ncnc2[nH]1 587958390 FWVAMDDVVBEYFX-UUQHCRCUSA-N 420.601 6.913 0 1 HKAF C/C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1 653719497 DQYOYKPEXFRMRE-XAYXJRQQSA-N 413.561 6.236 0 1 HKAF C[C@@]1(c2ccc(Cl)s2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962953891 KGXGTFVTGKVEEL-QGZVFWFLSA-N 401.881 5.335 0 1 HKAF Cc1ccc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c2ccccc12 962955925 MLLKAQZRZONENV-HSZRJFAPSA-N 411.467 5.908 0 1 HKAF O=C(OCCCCOc1ccc(-c2cc(=S)ss2)cc1)c1cccnc1 1772656961 MSWDONMIEHWNFT-UHFFFAOYSA-N 403.550 5.617 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356322633 UJDBZVSBLYRMDU-XHRIUOSRSA-N 418.706 6.830 0 1 HKAF CC(=CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 2356479765 CTWRZEHGRSDRPG-CIKQXQIZSA-N 412.702 7.801 0 1 HKAF CC(C)[C@@H](O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356630258 IWXJGKGAPXGSCN-FRGNILMWSA-N 418.662 5.330 0 1 HKAF CC=C(C)[C@H](O)[C@H](C)C=C(C)C=CCC(C)=CCc1oc(OC)c(CC)c(=O)c1C 2356652635 KARZXNDNDLSNJC-YKSBVNFPSA-N 414.586 5.864 0 1 HKAF Cc1cc2ncn(C/C=C3/c4ccccc4COc4ccc(C(=O)O)cc43)c2cc1C 2012841 WZXFXUCKNJCHJG-NKVSQWTQSA-N 410.473 5.376 0 1 HKAF CC(C)CCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1c(F)cccc1Cl 2484775 SHVVXDCERNHEKU-UHFFFAOYSA-N 404.844 5.716 0 1 HKAF CC(C)(C)c1ccc(CN2CCC(Nc3cc(=O)oc4ccc(Cl)cc34)CC2)cc1 13673215 UCUWLCFHMWIYIF-UHFFFAOYSA-N 424.972 5.820 0 1 HKAF Cc1cc(C)cc(CN(C)C(=O)c2c(-c3ccccc3C)c3ccccc3c(=O)n2C)c1 13742629 SBIVMYBYKVLWQU-UHFFFAOYSA-N 424.544 5.403 0 1 HKAF Cc1noc(C)c1-c1ccc2ncnc(NCc3cccc(-c4ccccc4)c3)c2c1 13828582 OAHMSEBBFXMQOA-UHFFFAOYSA-N 406.489 6.181 0 1 HKAF CCOP(=O)(OCC)[C@H](Nc1nc2ccc(OC)cc2s1)c1ccc(F)cc1 28571863 SVUJMJJZCBPKAS-SFHVURJKSA-N 424.434 5.821 0 1 HKAF CCOC(=O)C[C@@H](C)CCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1 28821618 HVASTZWHTVRDNH-NRFANRHFSA-N 418.581 6.675 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@]13C 34235783 JQFQUXQUOLIBLM-YDPPSCFKSA-N 424.713 8.089 0 1 HKAF O=C1c2ccccc2[C@](OCc2ccc(O)cc2)(c2ccccc2)N1Cc1ccccc1 35064332 WMRLUQXKAAFQLC-MUUNZHRXSA-N 421.496 5.466 0 1 HKAF CC(C)C[C@@H]1CCSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1 38216332 QPAJVXSGDOMVHC-IBGZPJMESA-N 424.639 6.270 0 1 HKAF Clc1ccc2c(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)ncnc2c1 40402210 JBMGNUFDDDRKSW-UHFFFAOYSA-N 423.328 6.957 0 1 HKAF COc1c(O)cc2c(c1CC=C(C)C)O[C@@H]1c3cc(CC=C(C)C)c(O)cc3OC[C@@H]21 43078494 VFTCTZLSYLIKOO-NBGIEHNGSA-N 422.521 5.734 0 1 HKAF biogenic c1cnc2ccc(NCc3ccc(-c4ccc(CNC5CCCC5)cc4)cc3)cc2c1 45187104 VATXCYFPVSGISC-UHFFFAOYSA-N 407.561 6.546 0 1 HKAF C/C=C/C(=O)OCCc1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O 66101205 XICPNRJOPZLJKP-GORDUTHDSA-N 402.277 5.164 0 1 HKAF CC[C@H](C)Nc1ncc(C(=O)N2CCCC2)c(-c2ccc(-c3ccccc3)cc2)n1 82159349 BCPZONWGXCVXHT-SFHVURJKSA-N 400.526 5.257 0 1 HKAF Cc1oc(-c2cnc(NCC3CCCCC3)nc2-c2ccccc2)nc1-c1ccccc1 82162599 JAWCXICERPYJCN-UHFFFAOYSA-N 424.548 6.766 0 1 HKAF Cc1c(N)cc2c(c1C)O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2 95578344 ZEBVAEBIDRCUFK-DQCZWYHMSA-N 415.706 8.408 0 1 HKAF COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)N2CCC(C)CC2)cc1 95589542 IYWKSVRNQXLVKW-CQYWEGEGSA-N 421.537 5.155 0 1 HKAF CSC(=O)Cc1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1 103239626 RFDZWDOAEGRSCH-UHFFFAOYSA-N 422.550 5.545 0 1 HKAF CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(C)cc2)nc2c(C)cc(C)cc12 169334652 LVDGFCDATNTPFI-MHZLTWQESA-N 418.625 6.763 0 1 HKAF CCOc1cc(/C=C\c2nc3c(C)cnc(Cl)c3[nH]2)cc(Br)c1OC 586978470 TZZGDLZJBYDGKP-WAYWQWQTSA-N 422.710 5.260 0 1 HKAF C[C@@H]1CN(Cc2ccccc2)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586987538 CKFFNUZNNRHXKE-MRXNPFEDSA-N 406.485 5.271 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(C(F)(F)F)cc4N)nc13)-c1ccccc1C2=O 586992993 JJLDQHNBQBEKNO-UHFFFAOYSA-N 404.391 6.023 0 1 HKAF Cc1cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cc1Cl 586998503 LIIARXSYAQPINI-CLFYSBASSA-N 413.702 6.718 0 1 HKAF Cc1ccc2c(ccc3nc(-c4csc(-c5cccc(Cl)c5Cl)n4)[nH]c32)n1 587015354 NBLKTHGAHMLIIQ-UHFFFAOYSA-N 411.317 6.517 0 1 HKAF Cc1oc(-c2ccsc2)nc1Cc1nc2cccc(OCc3ccccc3)c2[nH]1 587026352 CJOPGAISMGIXTC-UHFFFAOYSA-N 401.491 5.758 0 1 HKAF COc1cc(/C=C/c2nc3cc(Cl)cc(F)c3[nH]2)cc(Cl)c1OCC(C)C 587046353 GRPTTXFKTATHHP-SNAWJCMRSA-N 409.288 6.223 0 1 HKAF COc1cnc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)cc1Cl 587064229 FPVNYNMJYLRQPF-UHFFFAOYSA-N 406.589 5.068 0 1 HKAF Cc1ccc(-c2nc3c(C)ccc4c3c(c2CCC(=O)O)-c2ccccc2C4=O)cc1 587100686 OHHBNFTZJBLMLH-UHFFFAOYSA-N 407.469 5.747 0 1 HKAF Cc1ccc2c3c(cc(-c4c(O)ccc5ccc(=O)oc45)nc13)-c1ccccc1C2=O 587103544 YKYGDHGRLBCAIY-UHFFFAOYSA-N 405.409 5.234 0 1 HKAF O=C1c2ccccc2-c2c(Cc3ccccc3)c(C(F)(F)Cl)nc3cccc1c23 587103800 LMUAPHAZKOXUSC-UHFFFAOYSA-N 405.831 6.325 0 1 HKAF COCCn1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c2ccccc21 587105224 SZRXLRKHVKOLBY-UHFFFAOYSA-N 404.469 5.714 0 1 HKAF CC(C)Oc1ccc([C@@H]2CCc3c2nc2cccc4c2c3-c2ccccc2C4=O)cc1 587107683 SXGUITAMTMQHPS-IBGZPJMESA-N 405.497 6.312 0 1 HKAF FC(F)(F)Oc1cccc(CSCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 587124446 XMWAVYYQLSBHJU-UHFFFAOYSA-N 418.343 5.216 0 1 HKAF Fc1cc(Cc2nc3cc(Br)cc(Cl)c3[nH]2)ccc1-c1ccccc1 587145824 RIQXMOICFWGOMM-UHFFFAOYSA-N 415.693 6.376 0 1 HKAF CC(C)(C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 587354988 PAAIDJQESPJZTK-ZEQKJWHPSA-N 404.481 6.017 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2[nH]c4ccc(F)cc4c2C3)c1 587359771 HRGSRRVQFMHLSS-UHFFFAOYSA-N 420.443 6.848 0 1 HKAF C[C@]1(Cc2nc3ccccc3s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587374094 OBSISMGGBCCFEE-LADGPHEKSA-N 419.477 5.501 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Oc4cc(F)ccc4F)cc1)[C@@H](C2)C3=O 587421975 BGWZEAPRKYUAGG-UUOWRZLLSA-N 408.400 5.429 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Cl)c(Br)c1)CC2=O 587455911 HQOSCFDPSFIAJP-IBGZPJMESA-N 409.707 5.641 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1cc(Cl)cc(Cl)c1)CC2=O 587461058 JNICMBKLVCVYSO-HYGBKTPJSA-N 420.336 5.588 0 1 HKAF CCc1ccc(-c2nc3ncccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587513741 FFSALGBLVVDGEN-HSZRJFAPSA-N 423.516 5.544 0 1 HKAF Cc1cccc(COc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c1 587521982 FPIWZEWOIADHBL-NDEPHWFRSA-N 412.529 6.333 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2Cl)o1 587546788 KPUXTJMDWXJRCV-QPPBQGQZSA-N 418.832 6.009 0 1 HKAF Cc1ccccc1[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611696 JHQIVVVRWPFUOH-WIOPSUGQSA-N 414.482 5.668 0 1 HKAF CCOC(=O)c1c(-c2cc(Br)ccc2F)[nH]c2ccc([C@H](C)CC)cc12 587642708 PMCRQQLTRYPGTH-GFCCVEGCSA-N 418.306 6.427 0 1 HKAF Cc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587675584 AFSXBFMADSXUJW-DYZYQPBXSA-N 413.128 5.283 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(Cl)o2)N1 587682758 VFHYRFRGJMUZGH-DAZKTRTLSA-N 423.507 5.221 0 1 HKAF CCCC[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587695618 BWJQSOSTJFJXIY-ZUOKHONESA-N 410.758 6.210 0 1 HKAF CCc1ccccc1-n1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587755279 OJHORRQZLRSURR-FPTDNZKUSA-N 413.334 5.565 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3ccccn3)c2)N1 587770089 HZLUCYHPVJSUIR-LRTDBIEQSA-N 413.290 5.399 0 1 HKAF Cc1ccc(-c2cnc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)c(C)c1 587774946 OOOUBJBKOGYADH-RNODOKPDSA-N 415.306 5.484 0 1 HKAF CCC[C@H](CC1(c2nc3cc(F)cnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781345 IJDOESUMRIDDLI-GOSISDBHSA-N 409.505 5.459 0 1 HKAF CO[C@@H]1C[C@H](c2ccccc2)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587812377 QIXNMZHAAGIJED-VMEXJKBYSA-N 418.350 5.300 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)Cc2ccccc2-3)N1 587814413 HQDUOZXMFDZBRA-SHACYNPGSA-N 422.341 5.957 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(O)cc3)cc2)N1 587833766 PFMRLGBJAZWGHO-WHEQGISXSA-N 412.302 5.584 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(O)cc3)s2)N1 587845331 DPWMTMZLVSEZMC-GIPWTMENSA-N 418.331 5.646 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1cccc(OC)c1 587860014 OMTHZORQTHRZMV-UHFFFAOYSA-N 422.337 5.509 0 1 HKAF CCN(c1ccc(-c2csc(-c3ccc(C(C)(C)C)cc3)n2)cc1)S(C)(=O)=O 587923455 QDAHDQATCJAKPD-UHFFFAOYSA-N 414.596 5.561 0 1 HKAF FC(F)(F)c1cc(Br)cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c12 587964559 COLIXBSUXFEHSI-UHFFFAOYSA-N 411.265 6.184 0 1 HKAF Cc1ccccc1COc1ccc(-c2onc(C(=O)O)c2-c2ccc(Cl)cc2)cc1 653729621 XDMNMKADFVEOOM-UHFFFAOYSA-N 419.864 6.248 0 1 HKAF CC1(C)CCC(C)(C)c2cc3c(cc21)O[C@H]1CCCC[C@@]31c1ccc(C(=O)O)c(F)c1 653738935 WUMXEFVHKYADBL-WNCULLNHSA-N 422.540 6.494 0 1 HKAF FC(F)(F)c1ccc([C@H]2CCCC[C@@]23NCCc2cc(-c4ccccc4)ccc23)cc1 962663962 FJNYOIQZWRTAAF-AOYPEHQESA-N 421.506 7.071 0 1 HKAF Oc1ccc2c(c1)[C@]1(C[C@H](c3ccccc3)O2)NCCc2cccc(-c3ccccc3)c21 962672256 XXWRKPUPPWEACU-PXJZQJOASA-N 419.524 5.972 0 1 HKAF Cc1ccc(Sc2ccc([C@@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)o2)cc1 962761191 HAZDKHMPMOWBLU-FXAWDEMLSA-N 417.452 5.474 0 1 HKAF Clc1ccccc1C[C@]1(c2ccco2)c2ccsc2CCN1Cc1cccnc1 962993279 ARWGOZQUNCHREO-XMMPIXPASA-N 420.965 5.934 0 1 HKAF COc1cc(Cl)ccc1-c1cccc([C@]2(C)NCCc3c(C(=O)O)cccc32)c1 963131750 OGLMXCOHKWEFBW-DEOSSOPVSA-N 407.897 5.123 0 1 HKAF CCCc1nn(C)c2c(NCc3ccccc3Cl)nc(/C=C/c3ccco3)nc12 1857576131 WWBBMZCDMFRCNC-VAWYXSNFSA-N 407.905 5.345 0 1 HKAF OCc1cccc(-c2cnc3cnc(-c4ccc(CNc5ccccc5)cc4)cn23)c1 1857608863 TUSBLFJGIZRHMF-UHFFFAOYSA-N 406.489 5.168 0 1 HKAF O=C(Nc1nccnc1OCc1ccc(Cl)cc1)Nc1cccc2ccccc12 1857649370 DVOOLWKLFYMBAS-UHFFFAOYSA-N 404.857 5.506 0 1 HKAF C[C@@]12CC3CC(C(=O)Nc4nc5ccc(OC(F)(F)F)cc5s4)(C1)C[C@](C)(C3)C2 1857774940 IJNBVFADIFQQDL-UWMIKVSISA-N 424.488 6.130 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CCC2=C3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356306593 GZBHQYMDTNXBIZ-VHAZEXQBSA-N 414.674 6.526 0 1 HKAF CC(=CC[C@H](O)c1ccoc1)CCC=C(C)CCC[C@@H](C)C=C1OC(=O)C(C)=C1O 2356344772 PQUZEETWPHPNIP-KNQAVFIVSA-N 414.542 6.455 0 1 HKAF CCCCC[C@H](O)C=CCCCC[C@H](CCN)[C@@H](CCc1ccccc1)CC(=O)O 2356452400 OAKLHQCYJTXQSN-DSITVLBTSA-N 417.634 5.733 0 1 HKAF CN[C@H]1CC[C@]23C[C@@]24CC[C@]2(C)[C@H]([C@@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C 2356505778 PLKVWYPBRRRIQG-WKWIIZQQSA-N 400.695 5.964 0 1 HKAF COc1cc(O)c(C)c(CC=C(C)CC=CC(C)=C[C@H](C)[C@H](O)C(C)=CC(C)C)n1 2356675617 CHFFBNSQZJTFMA-HFZDXXHNSA-N 413.602 6.085 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4C[C@H](O)CC[C@@H]4[C@@H]3CC[C@]12C)C(C)C 2356678631 NJKOMDUNNDKEAI-YNKQKGBQSA-N 414.718 8.025 0 1 HKAF CC(C)=CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356732242 HWNMKCKZWVCWCI-KXOVETRDSA-N 418.662 5.330 0 1 HKAF CC(=CCc1cc(O)cc(C)c1O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 2356737811 GTWCNYRFOZKWTL-FGZHOGPDSA-N 402.663 8.334 0 1 HKAF O=C(CSC1=NN/C(=C2\C=Nc3ccccc32)O1)c1ccc(-c2ccccc2)cc1 136076431 RTGQGCKTXSIFDO-ATJXCDBQSA-N 411.486 5.245 0 3 HKAF CCCCN(CCCC)S(=O)(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C 3778064 DQBPGBYTUSLIHW-UHFFFAOYSA-N 412.596 5.169 0 1 HKAF CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1 5916988 IJULURRDAJBGTI-LBPRGKRZSA-N 419.978 5.686 0 1 HKAF CCN1C(=O)c2ccccc2Sc2ccc(NC(=O)Cc3ccc(OC)cc3)cc21 8600660 RQNSFALVZOBPCP-UHFFFAOYSA-N 418.518 5.008 0 1 HKAF O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(Cc2ccccc2)n1 13534749 JJTDTEOYDJOFKZ-UHFFFAOYSA-N 423.299 6.270 0 1 HKAF CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(C)cc3Cl)n(CC)nc12 13553411 VZPYZPRHLPMGQF-UHFFFAOYSA-N 413.009 6.795 0 1 HKAF COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2cccc(OC)c2)cc1 13604448 SNFHUYKHZAAHSU-JWQCQUIFSA-N 401.506 5.431 0 1 HKAF O=C(c1cccc2ccccc12)c1c(Cl)n(CCN2CCOCC2)c2ccccc12 13742581 UZYFGPBEIHCYBT-UHFFFAOYSA-N 418.924 5.011 0 1 HKAF Cc1cc2c(c(C)c1Cl)[C@H](c1ccc3c(c1)OCO3)C[C@](O)(c1ccccc1)O2 13829993 KYYVRYSZSONILS-MHECFPHRSA-N 408.881 5.445 0 1 HKAF COc1cccc2c1-c1ccc3c(c1[C@H](c1cc(C)cc(C)c1)O2)C(C)=CC(C)(C)N3 13863766 BFFNEJBHCHAMGY-MHZLTWQESA-N 411.545 7.068 0 1 HKAF Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4csc5ccccc45)c3)cc12 14957839 YULFZKNFQQGIAT-IBGZPJMESA-N 414.534 5.097 0 1 HKAF CSc1sc(C(=N)N)cc1-c1nc(-c2ccccc2)c(-c2ccccc2)s1 28771034 RIHJAWPPUVURQR-UHFFFAOYSA-N 407.589 6.212 0 1 HKAF O=C(Nc1cccc2cnccc12)N[C@@H]1CCc2ccccc2[C@@H]1Cc1ccccc1 28959095 QEMYRXIETDRZCN-AZGAKELHSA-N 407.517 5.698 0 1 HKAF C[C@@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@@](C)(O)c2ccccc2)c1 29407463 PNDZVDCEOHUNSU-QKZGOTKPSA-N 419.653 6.871 0 1 HKAF c1ccc(-n2cc[n+]3c2[C@@H]2c4ccccc4[C@H]3CC2(c2ccoc2)c2ccoc2)cc1 29484771 WGDONZLYAXXXOL-RPBOFIJWSA-N 405.477 5.376 0 1 HKAF Cc1ccc(NC(=O)c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1Cl 43104069 RDXKMXCUFPHPPU-UHFFFAOYSA-N 406.835 6.327 0 1 HKAF COc1ccccc1Nc1nnc([C@H](O)c2ccc(Oc3ccccc3)cc2)s1 82083254 BQLKYINHWLSEKR-HXUWFJFHSA-N 405.479 5.164 0 1 HKAF c1ccc(-c2cnc(-c3cnc(NCC4CCCCC4)nc3-c3ccco3)s2)cc1 82165491 ZGSJSHBFSNHLEP-UHFFFAOYSA-N 416.550 6.519 0 1 HKAF CCOc1ccccc1-c1nc(O)c2c(n1)c(-c1ccccc1)nn2-c1ccccc1 84587483 SFBYEIBIERRIJG-UHFFFAOYSA-N 408.461 5.254 0 1 HKAF C/C(=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O)CC/C=C(\C)[C@H]1C[C@@H](O)C(C)(C)O1 85546632 YHXSUSPTGLHIRR-WREAVTNASA-N 422.949 5.016 0 1 HKAF CCN(CC)CCOc1ccc(Nc2nc(C)c(OCc3ccccc3)c(C)n2)cc1 95573911 MEOIUBODRBKCGJ-UHFFFAOYSA-N 420.557 5.137 0 1 HKAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3cccc(OC[C@H]4CC4(F)F)c3)C2)cc1 96172970 VWIBNSKYJORTIG-VQIMIIECSA-N 415.480 5.071 0 1 HKAF Cc1ccn2c(C(=O)NCc3ccc(Oc4ccc(Cl)cc4)cc3)c(C)nc2c1 96917495 LTFYEUARLCFXFH-UHFFFAOYSA-N 405.885 5.327 0 1 HKAF CN1[C@H]2CC[C@H]1CC(O[C@H](c1ccc(F)cc1)c1cccc(Br)c1)C2 100834459 MTATUXXQZDSZDW-IRFCIJBXSA-N 404.323 5.319 0 1 HKAF Cc1ccc(C(C)C)c(SC2=C(O)C[C@](CCc3ccccc3)(C(C)C)OC2=O)c1 103220200 GVFPDUARCHQQKB-AREMUKBSSA-N 424.606 6.955 0 1 HKAF COc1cc(/C=C/c2ccc(OCCN(C)Cc3ccccc3)cc2)cc(OC)c1 103299359 CHSTYTAVTIUSBI-MDZDMXLPSA-N 403.522 5.385 0 1 HKAF CCCCC[C@H](O)c1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OC)cc1 142677550 KUFDEMAAVZOJIN-ZLNRFVROSA-N 402.575 5.877 0 1 HKAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2ccccn2)c1F 167857549 SAVJPPGWHMJGIZ-UZLBHIALSA-N 420.484 5.015 0 1 HKAF CC(=O)N[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 255221656 JRMQHVWVFCDIOA-SDZORPQXSA-N 403.607 5.102 0 1 HKAF C1=C(Cc2ccccc2)CCN(CC[C@@H](c2csc3ccccc23)N2CCCC2)C1 299824745 WWEXFJSAHWQFBA-SANMLTNESA-N 416.634 6.303 0 1 HKAF Cc1cc(N2CC[C@H](CN3CCC[C@H]3C)C2)ccc1NC(=O)c1ccc2[nH]ccc2c1 299845268 XABYXUIYVFWUMX-WOJBJXKFSA-N 416.569 5.039 0 1 HKAF Clc1ccc(OCc2nc3c(Cl)c(Cl)cnc3[nH]2)c(Br)c1 586977271 KEOROFPBNWLLGG-UHFFFAOYSA-N 407.482 5.260 0 1 HKAF COc1cc(OC)c2nc(-c3cccn3-c3ccc(Br)cc3C)[nH]c2c1 586981009 IVIAPWMWZHDUTC-UHFFFAOYSA-N 412.287 5.109 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4c(C(F)(F)F)cccc4[nH]3)cc2)n1 587020072 FJFVZQVHKUCWBU-UHFFFAOYSA-N 405.470 6.306 0 1 HKAF Fc1c(Cl)cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1F 587040525 NIDHGLONBYXKKI-UHFFFAOYSA-N 413.880 6.340 0 1 HKAF Clc1cc(Br)c2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 587052139 WZJYREMEJBVOIC-DTWKUNHWSA-N 416.533 6.557 0 1 HKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(Br)c(F)c(F)c2[nH]1 587061713 ILRJGIDIASTXGI-NSHDSACASA-N 401.638 5.787 0 1 HKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(Cl)cc(Br)c2[nH]1 587066116 IYBPMMPWSAOXRW-SECBINFHSA-N 400.103 6.081 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc3ccccc3cc2[nH]1 587072262 PWDUCHNCGMVCOX-GEYPENSJSA-N 407.344 7.389 0 1 HKAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cc(Br)ccc2[nH]1 587076801 PBCGTCLZCANWKR-UHFFFAOYSA-N 400.663 5.413 0 1 HKAF COc1ccc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c1 587086771 LQVCQTOEOLJJGV-CSKARUKUSA-N 413.308 5.602 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@H](c1ccc(OC(C)C)cc1)CC4)-c1ccccc1C2=O 587095764 ADPBXZPDWMXRFA-FQEVSTJZSA-N 419.524 6.620 0 1 HKAF Cc1ccc2c(ccc3nc([C@@H](C)n4nc(C(F)F)c(Cl)c4C(F)F)[nH]c32)n1 587129710 ZTXUTAJGHFVZGL-MRVPVSSYSA-N 411.790 5.754 0 1 HKAF C[C@@H](c1nc2ccc(O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587200048 UJYYPTRCUBOVGV-HNNXBMFYSA-N 413.477 5.210 0 1 HKAF C[C@]1(c2nc(C(F)(F)F)cs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327054 DRPOXJXSZYISIZ-APWZRJJASA-N 423.387 5.281 0 1 HKAF CC(C)[C@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329368 DVHGRZJBPSJGAY-ISKFKSNPSA-N 412.407 5.720 0 1 HKAF CCC[C@@]1(c2cn(CC)nc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342621 OMPCGCXSFJBHPY-UPVQGACJSA-N 408.473 5.111 0 1 HKAF CCOc1cc(OC)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353280 YPTVBBOPNNNVOK-ILBGXUMGSA-N 422.452 5.213 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(=O)c3csc(C)c3)cc1)O2 587412525 ZQYKOSQIBDJHJI-HSZRJFAPSA-N 406.507 5.080 0 1 HKAF COC(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587510651 WXLZQHWBEXLGRZ-JOCHJYFZSA-N 418.411 5.008 0 1 HKAF COc1cccc(C2(c3cccc(OC)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587521179 BHRVAWUXVVUDMI-UHFFFAOYSA-N 414.501 5.492 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1CCC(F)(F)F 587545135 GKKVJKXNRRPUNZ-KNQAVFIVSA-N 414.379 5.590 0 1 HKAF CCCC[C@@H]1Cc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587603932 QDGQONNAEGOYSD-LZECLLPCSA-N 400.474 5.612 0 1 HKAF Cc1ccccc1-c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 587615071 VJSSSGFDRBDQKE-REWPJTCUSA-N 415.470 5.527 0 1 HKAF Oc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625834 NCJRKYCFQYKEMM-UHFFFAOYSA-N 414.132 6.885 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)NC1CCCCCC1 587626258 RFNSLSNBEPRSIL-UHFFFAOYSA-N 406.370 5.967 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3cccc(Cl)c3)CC2)N1 587696779 FKOYFUPKADOQON-CYBMUJFWSA-N 423.757 5.272 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)cc2)N1 587715045 RFFCTMGBDBPXSJ-BMLIUANNSA-N 402.229 5.405 0 1 HKAF CCc1ccccc1-n1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587755282 OJHORRQZLRSURR-RCDICMHDSA-N 413.334 5.565 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccncc2)(c2ccccc2)N1 587780287 ZVXXCBBIBQEEEG-IVZQSRNASA-N 411.318 5.004 0 1 HKAF COc1cccc(OCc2ccc(-c3nc4c(C)c(Br)ccc4[nH]3)cc2)c1 587780772 IFKKPTUOTCMPQM-UHFFFAOYSA-N 423.310 5.888 0 1 HKAF CC(C)c1ccc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1 587806025 UKFKUTMYEZZZTG-QKVFXAPYSA-N 401.323 5.817 0 1 HKAF Cc1ccc(C)c([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587816032 SNCFVGFEUDYFIF-MZNJEOGPSA-N 424.357 6.031 0 1 HKAF CC(C)c1cccc2c1OCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587833946 JBVPWMLMTVDPRV-ZSEKCTLFSA-N 404.323 5.272 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2sc(C)nc2C)cs1 587873306 YJXDSUMDDYAPIC-UHFFFAOYSA-N 400.504 5.274 0 1 HKAF COc1ccccc1Oc1ccc(-c2nc(-c3ccc(SC)cc3)cs2)cc1 587926482 ZRBVCJRSWOBEDP-UHFFFAOYSA-N 405.544 7.000 0 1 HKAF COc1ccc([C@@H](c2ccccc2)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 587932460 FMKSJQLFRWXASF-CQSZACIVSA-N 418.806 5.166 0 1 HKAF COc1cc2c(cc1OC)[C@@H](c1cc(Cl)cc(Br)c1)N(C)[C@@H](C)C2 962575851 WBVMLORDRXMIEE-JEOXALJRSA-N 410.739 5.086 0 1 HKAF CCCCCOc1ccc([C@H]2NCCc3cnc4c(OC)cccc4c32)cc1OCC 963052755 DTLILHVHPQHNKH-RUZDIDTESA-N 420.553 5.446 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CC(=O)C(F)(F)F)c1ccc(C(C)C)cc1 963230811 AUORGSINYSGDED-UUOWRZLLSA-N 417.515 6.232 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CC)c1ccc(Cl)c(Br)c1 963243909 UFSKUFNCOZSGIR-BTYIYWSLSA-N 406.795 6.413 0 1 HKAF NC(=S)c1cccc(-c2cc(C(F)(F)F)cc3c2ccn3CC(F)(F)F)c1 1857592684 YOONUCFYTLNIGM-UHFFFAOYSA-N 402.363 5.524 0 1 HKAF Cc1cn(-c2ccc3[nH]c(-c4nc(-c5cccc(C(F)(F)F)c5)n(C)n4)cc3c2)cn1 1857620053 COYPGUASEAOKPF-UHFFFAOYSA-N 422.414 5.143 0 1 HKAF CCN(CC)c1nccc(-c2sc(-c3ccc(-c4ccccc4)cc3)nc2C)n1 1857639176 UJNKPAXAJDZSQO-UHFFFAOYSA-N 400.551 6.089 0 1 HKAF CCC(=CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356384733 WSQWPVHORPUSOR-HQIMOVAUSA-N 414.718 8.025 0 1 HKAF Cc1cc(O)c(C)c2c1CC[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 2356387641 BXFFLLUMZSVWOY-XJGOYTCSSA-N 416.690 8.532 0 1 HKAF CC(C)=CCCC(C)=CCc1cc2c(cc1O)OC[C@@H]1c3cc4c(cc3O[C@@H]21)OCO4 2356565665 GWPLWWRLEHMIPE-IBVKSMDESA-N 420.505 5.966 0 1 HKAF CC(C)CCC[C@](C)(O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356602806 MGGGWBGPYZQTFY-VJQOOSOISA-N 402.663 6.792 0 1 HKAF CC(=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@@H]3CC[C@@]12C)[C@@H](C)C(C)C 2356656720 XHBUOPUSZGNMDC-GJLBAVKTSA-N 400.691 7.491 0 1 HKAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C(=O)C=C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 2356779788 DVMUKIWOCNJTAW-ZLGBDVCUSA-N 413.646 6.028 0 1 HKAF CC(C)[C@@H](C)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356803067 WRNDTGGWXREMJF-OGDVNNLWSA-N 414.674 6.382 0 1 HKAF COc1ccc(C[C@@H]2C(=O)C[C@H]3CCN(CC4CCCCC4)[C@H]4CCC[C@@H]2[C@@H]43)cc1 211062371 LEDLUXYLXJQMCA-XTPWPRAMSA-N 409.614 5.514 0 3 HKAF CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@@H]1c1cccc2ccccc12 4153212 GRAUDNBJSQKLRC-UKILVPOCSA-N 416.521 5.247 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@@H]3[C@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 8214920 GMBQZIIUCVWOCD-QXYDHVFOSA-N 416.646 5.794 0 1 HKAF CCc1nc2c(-c3ccc(C(F)(F)F)cc3Cl)ccnc2n1[C@H](CC)COC 13479595 TUNSQAQKXUSTEG-CYBMUJFWSA-N 411.855 5.930 0 1 HKAF Cc1ccc(F)c([C@H]2[C@H]3C=CC[C@H](c4ccccc4)[C@@H]3C(=O)N2Cc2ccccc2)c1 13661914 JKQUHEGFTUFCCP-GXVHRJHYSA-N 411.520 6.194 0 1 HKAF CCc1cc(Sc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2ncccc2n1 13744314 QBFFEGMWDIILBH-UHFFFAOYSA-N 410.506 5.191 0 1 HKAF COc1ccc2c(c1CC=C(C)C)O[C@H]1c3ccc(O)c(CC=C(C)C)c3OC[C@]21O 14781024 XOWMUIMFYAHWQD-UIOOFZCWSA-N 422.521 5.132 0 1 HKAF biogenic O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1CCCCc1ccccc1 26022764 GFCXRTRECNWYEP-UHFFFAOYSA-N 417.119 5.919 0 1 HKAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)SC(C)(C)C)[C@H]3CC[C@H]12 26387356 ZTCPRLTVZUYVAK-ZJZKYWNMSA-N 405.648 5.524 0 1 HKAF CC[C@H](O)c1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1cccc2ccccc12 26569479 NTFDOHUTBGQNQM-NLFFAJNJSA-N 414.524 6.271 0 1 HKAF O=C(Nc1cccc2cnccc12)N[C@@H]1CCc2cc(F)ccc2[C@@H]1Cc1ccoc1 28959310 MVMZTCPJMDJVMN-LADGPHEKSA-N 415.468 5.430 0 1 HKAF O=C(Cc1csc2ccccc12)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 29042837 VCQVKJCYOWFNKO-VWNXMTODSA-N 418.606 5.314 0 1 HKAF Oc1cc(Nc2ccnc3cc(I)ccc23)c(F)cc1Cl 45191352 AMAWGOBSJBIUFT-UHFFFAOYSA-N 414.605 5.081 0 1 HKAF O=C(CCNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(Cl)cc1 45337241 CYASWKWNFVPOQN-UHFFFAOYSA-N 424.772 5.496 0 1 HKAF CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)CO[C@@H](c1ccccc1)C(C)(C)C 49036710 XHYUQWCPKNBQON-FTJBHMTQSA-N 419.609 5.915 0 1 HKAF c1csc(CNc2ncnc3c2nc(C2CCCCC2)n3CCN2CCCCC2)c1 82190338 GPSXMKCDYOHLMG-UHFFFAOYSA-N 424.618 5.034 0 1 HKAF CCc1c(C(=O)OCCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(Cl)cc12 84712934 ITSVQBLBEILJMZ-UHFFFAOYSA-N 410.945 5.774 0 1 HKAF c1ccc([C@H](c2ccc(CCN3CCCCC3)cc2)C23CC4CC(CC(C4)C2)C3)cc1 95561406 MOWUAJQQTAGGBT-PHPBTLJDSA-N 413.649 7.063 0 1 HKAF CC(C)(c1nc2ccccc2s1)N1CC(C(F)(F)F)=C(c2ccccc2)C1=O 103181074 COPXAJZFAXDIMW-UHFFFAOYSA-N 402.441 5.390 0 1 HKAF CO[C@@]1(c2ccc(C(F)(F)F)cc2)C=CC(C2CCCCC2)(C2CCCCC2)OC1 103215734 SGWXMILQLJSAPB-QHCPKHFHSA-N 422.531 7.033 0 1 HKAF CCOC(=O)c1c(C)nc2nc3c(c(N)c2c1-c1ccc(Cl)cc1)CCCCC3 103223294 GNYQUGTUGTVWGT-UHFFFAOYSA-N 409.917 5.286 0 1 HKAF CN(C)C(=S)O[C@@H]1C[C@@H]2CCCC[C@@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1 103247416 UFLKWWJBZJDAKK-URHAGFEASA-N 424.585 5.959 0 1 HKAF O=C(N[C@H]1C[C@@H]2CCCC[C@@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1)C1CC1 103247462 LJWRPLIFMNTPGE-DLSPTWIKSA-N 404.529 5.622 0 1 HKAF CN(C)c1cc2[nH]c(C3CCCCC3)nc2cc1NC(=O)c1ccc(C(C)(C)C)cc1 103255798 WHJOZFIBAJLGLQ-UHFFFAOYSA-N 418.585 6.226 0 1 HKAF COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(O)=C2[C@@H]1c1ccccc1C 104698774 YNTNKCZDTKUEJF-HSZRJFAPSA-N 402.494 5.451 0 1 HKAF Nc1ccc(-c2nc3ccccc3nc2C2CN(c3ccc4ccccc4n3)C2)cc1 140185712 QDEVKVQGDAITDL-UHFFFAOYSA-N 403.489 5.031 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](NC(=O)C5CCC5)CC[C@@]43C)[C@@H]1CC=C2n1ccnc1 141902677 SCCOPOUBXQKNAP-LQYUUDITSA-N 419.613 5.582 0 1 HKAF COc1cc(F)cc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2ccccc2)c1 166893921 ROUDRFVLTWSVAI-QFIPXVFZSA-N 419.496 5.764 0 1 HKAF COc1cccc(OC)c1[C@H]1CCC(=O)N1Cc1ccc(Oc2nc(C)cs2)cc1 167098100 RUQICYBKEJVNCY-GOSISDBHSA-N 424.522 5.125 0 1 HKAF CCCCN1Cc2cccc(C(=O)Nc3cccc(-c4nc5ccccc5[nH]4)c3)c2C1=O 205421514 ZASJPNQPCUAUTM-UHFFFAOYSA-N 424.504 5.238 0 1 HKAF C[C@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1cc2cc(F)ccc2s1 205434096 OZVSQJWMHMBDFU-LBPRGKRZSA-N 407.470 5.338 0 1 HKAF Cc1cc(-c2cccc(F)c2)cc(CNc2c(F)ccc(OCC(=O)O)c2C)c1F 218847043 HVEDJWCNDYQZDT-UHFFFAOYSA-N 415.411 5.463 0 1 HKAF CC(=O)OC[C@H](OC(C)=O)[C@]1(C)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1 238747925 DDPNMLGNRUJAQD-ARQMHLQSSA-N 408.579 5.052 0 1 HKAF CC(C)[C@@H](C)/C=C\[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4[C@@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 255219656 IJWMVKBLTSNFEG-UVGRTFAFSA-N 412.702 7.657 0 1 HKAF CC1(c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)n(-c3ccccc3)n2)CC1 299824655 LNTOZVGJRVNTIE-UHFFFAOYSA-N 400.404 5.587 0 1 HKAF O=C(O)c1c(CCCOc2ccc3c(c2)CCCC3)c2cccc3c2n1CCS3 299851596 HASLVVNHEHIJPI-UHFFFAOYSA-N 407.535 5.336 0 1 HKAF Brc1ccc(-c2ccc(/C=C/c3nc4cc5cn[nH]c5cc4[nH]3)o2)cc1 586998885 RLQVKJACZJKWNC-SOFGYWHQSA-N 405.255 5.632 0 1 HKAF COC(=O)c1cc2nc(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)[nH]c2cc1OC 587030552 HKYCWLWPQKWTTD-CYBMUJFWSA-N 421.522 5.317 0 1 HKAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 587042525 LGGZVPFHHWJPGV-QGZVFWFLSA-N 422.337 5.156 0 1 HKAF FC(F)(F)Oc1ccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 587069038 CQKRMLZTWSEQAS-UHFFFAOYSA-N 418.802 6.361 0 1 HKAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(Cl)c2[nH]1 587114205 QXNYAQDWLBJBHZ-LBPRGKRZSA-N 418.644 5.240 0 1 HKAF C[C@]1(c2nc3ccc(OCc4ccccc4)cc3[nH]2)C=C(c2ccccc2F)NO1 587157927 VVQUTDFJZUKLFE-XMMPIXPASA-N 401.441 5.072 0 1 HKAF CCCC[C@]1(c2ncccc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342060 YLFUQNMVMXQXPG-RDGATRHJSA-N 405.469 5.679 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(F)cccc1O[C@@H](C)c1ccccc1)O2 587382409 QWUGTDIYSKCABU-LMKMVOKYSA-N 405.469 5.737 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4ccc(Cl)cc4F)s1)[C@@H](C2)C3=O 587426001 JXLKKOJDEDQMSK-NYHFZMIOSA-N 414.885 5.879 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(Br)ccc2CC1(C)C 587457806 NQIWSSBUONJKMH-QFIPXVFZSA-N 415.327 5.550 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)(c1ccc(Cl)cc1)CC2=O 587459404 DAKBSFOWPUHCAQ-VWLOTQADSA-N 406.909 6.102 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1sc(-c3ccc(OC)cc3)nc1C)CC2=O 587494315 KYGJEGHJGLKZJG-DEOSSOPVSA-N 423.534 5.666 0 1 HKAF O=C1C[C@@H](c2ccc(OCc3ccccc3)c(Cl)c2)Oc2c1ccc1c2CCCC1 587506665 NWDKMQPCAJZOKO-VWLOTQADSA-N 418.920 6.504 0 1 HKAF CCCCc1ccc(-n2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)cc1 587516822 FCORJTNRNSTJGL-RUZDIDTESA-N 400.522 5.800 0 1 HKAF CCCCc1ccc([C@@]2(C(=O)OCC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587523175 NTQAMHNTVOIXHD-AREMUKBSSA-N 406.522 5.332 0 1 HKAF O=C1C[C@](c2ccccc2)(c2coc3ccc(O)cc23)Oc2c1ccc1c2CCCC1 587531840 IAXHFTOBGNSUOQ-MHZLTWQESA-N 410.469 5.926 0 1 HKAF C[C@]1(c2cc(C(F)(F)F)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547976 MLPPRBIPETXFCX-WIYYLYMNSA-N 418.342 5.427 0 1 HKAF CCCOc1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587594797 JECFOVDZHWEYIQ-BWKNWUBXSA-N 404.462 5.501 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc2ccc(Cl)cc12 587616383 CTMMJVSOGZCIGU-UGKGYDQZSA-N 408.862 5.963 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cccc(OC(F)F)c3)c2c1 587643985 ZZDOLCDSHMALTA-LBPRGKRZSA-N 401.409 5.300 0 1 HKAF Cc1cccc(Br)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587676355 GTSMPNYHGDBOQK-BTDLBPIBSA-N 413.128 5.283 0 1 HKAF Cc1cc(Br)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587683825 XLPWAWNQVPTMSS-BTDLBPIBSA-N 413.128 5.283 0 1 HKAF Cc1cc(Cl)cc2c1OCCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587699524 QNLTVONRMUNWTD-MPBGBICISA-N 424.741 5.500 0 1 HKAF CC(C)C[C@]1(Cc2cccc(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587704108 SFEKOZBFWDGVQH-LHSJRXKWSA-N 424.785 6.260 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cccc(F)c2)N1 587727867 CDXSIQCPJDZSSC-YUNKPMOVSA-N 403.270 5.142 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCN(Cc3ccccc3)CC2)N1 587772189 YDRXIPBBCZMGSN-IVZQSRNASA-N 417.366 5.076 0 1 HKAF CC(C)[C@@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 587805295 SZTWKPXZVYDRJR-LRTDBIEQSA-N 401.323 5.503 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2nccs2)N1 587851394 BOQSUOCIMBZJMD-VOJFVSQTSA-N 403.320 5.335 0 1 HKAF Cc1ccc(-c2nc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cs2)cc1 587853179 PKJDNXBFENMFNZ-BLVKFPJESA-N 417.347 5.644 0 1 HKAF O=C(Nc1cccc(Nc2ccnc(NC(=O)C3CC3)c2)c1)c1cccc(Cl)c1 653852003 YFFLRXNHRUQGET-UHFFFAOYSA-N 406.873 5.079 0 1 HKAF COc1cc2c(cc1OC)[C@](c1ccc(C)c(C)c1)(c1cccs1)N(C)[C@H](C)C2 962564349 GTJHODSXGJUUIY-IQGLISFBSA-N 407.579 5.550 0 1 HKAF CC1(C)Cc2cccc([C@@H]3c4ccccc4C[C@@H]4CN(c5ccccc5)CCN34)c2O1 962634282 IEFNGOWRHUABMO-BVAGGSTKSA-N 410.561 5.236 0 1 HKAF COc1cc2c(cc1OC)[C@](CCc1ccc(C)c(C)c1)(C1CCCC1)N(C)[C@@H](C)C2 962635226 RGQJDBQMIIIIGO-KMRXNPHXSA-N 421.625 6.215 0 1 HKAF O=C(OCc1ccccc1)N1CC[C@H]([C@@H]2NCCc3cc(-c4ccccc4)ccc32)C1 962664827 HSEGIXKUQKVKSH-AHWVRZQESA-N 412.533 5.199 0 1 HKAF CC1(C)[C@H]2CC[C@]3(C2)[C@H]1[C@]1(CCC3(C)C)c2ccsc2CCN1Cc1ccco1 962715902 YGTMHRFCXBHDTD-HTICLFEKSA-N 409.639 6.857 0 1 HKAF COc1ccc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1COCC(F)(F)F 963115446 WYGNIWMDXZQBHP-GHTZIAJQSA-N 409.423 5.023 0 1 HKAF Cc1cc(C)c2cc([C@@H]3N[C@H](C(=O)O)Cc4ccc(Cl)c(C(F)(F)F)c43)[nH]c2c1 963179508 LYGWWWGGWKCLOB-LPHOPBHVSA-N 422.834 5.145 0 1 HKAF CN1CCc2c(Br)cccc2[C@@]1(CC(C)(C)C)c1ccc(F)cc1F 963288487 CAQPSNLFADZSTA-NRFANRHFSA-N 408.330 5.895 0 1 HKAF NCCSc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccccc3)c2)[nH]1 1772650965 MUOFVOPPHGCPBQ-UHFFFAOYSA-N 405.502 5.072 0 1 HKAF Oc1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)nc3c2Cc2cccc(O)c2-3)cc1 1857558647 SSOQSIZWYIHHLC-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF Cc1ccc(-c2ccccc2N2CCN(CCc3c[nH]c4ccc(F)cc34)CC2)cc1 1857764604 XMJDOWSHMTYRGN-UHFFFAOYSA-N 413.540 5.647 0 1 HKAF CC(C)=CCCC(C)=CCC[C@](C)(O)[C@H]1Cc2c(O)c(C=O)c(C)c(Cl)c2O1 2356332161 AKZMNMUPGWZYPW-XXBNENTESA-N 406.950 5.694 0 1 HKAF CC(C)[C@H](O)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356340215 JZCPTPIGOKTFQQ-YBXJHMOVSA-N 400.647 6.280 0 1 HKAF O=C(O)CCC=C1CC[C@H](c2ccc(O)cc2)[C@H](CCCCCC[C@@H]2C=CCC2)C1 2356367271 ZQMKWTFIKQVFIO-YMVVMYQSSA-N 410.598 7.374 0 1 HKAF CC(=O)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@@]5(C)CCCC(C)(C)[C@H]5CC[C@@]43C)[C@H]12 2356378110 WITVYVWRRGIEDG-XSXQQDDMSA-N 412.702 8.067 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C=Cc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 2356471921 FLDVEKQSXXBPDV-VVYSMVTKSA-N 418.621 7.211 0 1 HKAF CC(C)C1=CC2=CC=C3C(C)(C)[C@@H](OC(=O)c4ccccc4)CC[C@]3(C)C2=C(O)[C@@H]1O 2356531247 UAFNBKSIDYRJDO-AIUHUKMKSA-N 420.549 5.674 0 1 HKAF CC1=C2C[C@@]34CC[C@H]5CCC[C@H](C6=CCC7=C6[C@@H]3[N@]3C[C@]36CCC[C@@H]6C7)[C@@]4(C)[C@@]25CC1 2356762708 OGBNNUCMJFMTRR-PCNLTNJZSA-N 413.649 6.957 0 1 HKAF CN(Cc1ccc(Cl)c(Cl)c1)[C@@H](C(=O)NCc1ccccc1)c1ccco1 95566643 KDELQQDXOOSJDR-HXUWFJFHSA-N 403.309 5.076 0 3 HKAF CCCCNC(=O)c1ccc2c(c1)[C@H](NCc1ccccc1)CC1(CCCCC1)O2 2489043 IBKQEEUITKKMII-HSZRJFAPSA-N 406.570 5.533 0 1 HKAF C[C@]1(CO)CCC[C@@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1CC(=O)[C@]3(C)CC[C@@]12C3 5809822 CFPMRJFTBKYCRR-QLVRXMHWSA-N 424.581 5.186 0 1 HKAF COc1cccc([C@@H](Cc2ccncc2)c2ccc(OC)c(OC3CCCC3)c2)c1 13441979 NRCPZOPUNOYCLZ-XMMPIXPASA-N 403.522 5.795 0 1 HKAF CC(C)c1ncc([C@@H](CCCCCCc2ccc3c(n2)NCCC3)CC(=O)O)cn1 13583243 TZEHAFMMPSPZTD-IBGZPJMESA-N 410.562 5.105 0 1 HKAF C[C@]1(O)CC(=O)O[C@@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)s2)C1 27438789 BTQJILDQUFRQTI-VGOFRKELSA-N 411.548 5.026 0 1 HKAF CCc1ccccc1Oc1ccc(/C=C(\NC(=O)CCC2CCCC2)C(=O)O)cc1 28476482 XWZZKRPLJFIGSJ-XLNRJJMWSA-N 407.510 5.553 0 1 HKAF Fc1ccc(C2=Nc3c(Sc4ccccc4)ncnc3Sc3ccccc32)cc1 35984049 FCPYJDFKANJYJB-UHFFFAOYSA-N 415.518 6.401 0 1 HKAF O=C(O)c1ccc2cc(-c3ccc(O)c([C@H]4CC[C@H]5CCCC[C@H]5C4)c3)ccc2c1 40863371 KSIXWQINPZPMLI-STSQHVNTSA-N 400.518 6.985 0 1 HKAF CC1=C(CCCC(=O)N2CCOCC2)c2cc(Cl)ccc2[C@H]1Cc1ccccc1 45356554 PFFHGIBQZZIRIQ-QHCPKHFHSA-N 409.957 5.483 0 1 HKAF COc1ccc([C@H](NC(=O)C(F)(F)F)[C@H]2CCCC=C2c2ccccc2)cc1OC 66167366 QJWPGXZNJDKHIZ-RXVVDRJESA-N 419.443 5.307 0 1 HKAF CC(C)(C)OC(=O)NC[C@@H](c1c[nH]c2ccc(Cl)cc12)N(O)Cc1ccccc1 71332069 TZJNUIXNZSMRGE-FQEVSTJZSA-N 415.921 5.279 0 1 HKAF CCCCCc1nc(-c2cnc(N3CCC(C)CC3)nc2-c2cccc(C)c2)oc1C 82173484 WMNVIKVGPCJZAU-UHFFFAOYSA-N 418.585 6.384 0 1 HKAF CCCCc1ncc(/C=C(\CCc2ccccc2)C(=O)O)n1Cc1ccccc1Cl 84544199 SXZMGFRTEQNQIN-CAPFRKAQSA-N 422.956 6.028 0 1 HKAF CC(C)=CCC[C@@]1(C)C=Cc2cc3c(cc2O1)OC[C@@H](c1ccc(O)cc1O)C3=O 85996590 LCZIPVBITKFABC-CPJSRVTESA-N 406.478 5.367 0 1 HKAF C[C@@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c3cccc(Cl)c3)c2c1 95555506 WKRMQQQULWOWMC-GFCCVEGCSA-N 412.272 5.978 0 1 HKAF C=C(c1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1-c1ccc2c(c1)OCO2 95593565 RGHGZAFVDBGVHK-UHFFFAOYSA-N 420.461 5.178 0 1 HKAF COc1cccc(-c2nc3ccn(Cc4ccc(OC(F)(F)F)cc4)cc-3n2)c1F 100068537 JRUKNJJWDXZRAJ-UHFFFAOYSA-N 417.362 5.145 0 1 HKAF O=c1oc2ccccc2c2c1[C@H]1O[C@@](c3ccsc3)(Cc3c1ccc1ccccc31)O2 102846166 WSZOLPLBXAYCET-OZXSUGGESA-N 424.477 5.915 0 1 HKAF CCC[C@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(CC)cc1)CCCC3 113125378 AKBBHUWFVVUZJB-IBGZPJMESA-N 407.579 6.681 0 1 HKAF O=C(O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCS3 299865156 NKNPHHGNUNPDRP-UHFFFAOYSA-N 403.503 5.610 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cscc3Br)nc3ccc(O)c1c23 586992949 BWNCWMLFJIUUSY-UHFFFAOYSA-N 408.276 5.643 0 1 HKAF Cc1ccc2c3c(c(Cc4ccc(OC(F)F)c(F)c4)cnc13)-c1ccccc1C2=O 586995959 OBMXSLXOPLGQFO-UHFFFAOYSA-N 419.402 6.086 0 1 HKAF Cc1nc(COc2cccc(-c3nc4ccc(Br)cc4[nH]3)c2)cs1 587020056 FCRAZUSHOWDLPG-UHFFFAOYSA-N 400.301 5.336 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccnc(Cl)c2[nH]1 587086438 KELWNHJDBLSSFQ-VOTSOKGWSA-N 418.715 5.642 0 1 HKAF C/C=C\COc1ccc(CCc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587097301 LDYFYOFMCZHKPG-ARJAWSKDSA-N 419.524 6.495 0 1 HKAF Cc1ccc2c3c(c4c(nc13)C(CC(=O)O)=C(c1cccs1)C4)-c1ccccc1C2=O 587101651 IIUCLVYYTCQMSG-UHFFFAOYSA-N 423.493 5.758 0 1 HKAF Nc1ccc2c(c1Br)-c1nc3cccc4c3c(c1C2)-c1ccccc1C4=O 587101737 LYERTFXUXGJQJO-UHFFFAOYSA-N 413.274 5.362 0 1 HKAF Nc1ccc(N2CCCCC2)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106966 PMJJPDDABTXWJY-UHFFFAOYSA-N 405.501 5.686 0 1 HKAF CC(C)(C)c1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2n1 587110286 QFJYPCJGNUFOET-UHFFFAOYSA-N 401.354 5.884 0 1 HKAF O=C(c1ccccc1)c1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587151507 ZLJVFLYVMWIHHX-RUZDIDTESA-N 421.475 6.135 0 1 HKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc1 587157601 BRXYHFNJUIOPBB-UHFFFAOYSA-N 400.331 5.747 0 1 HKAF CSc1ccc2nc(-c3ccc(NC(=O)Cc4ccccc4C)cc3O)[nH]c2c1 587240673 NYDOGVWHKQRHPY-UHFFFAOYSA-N 403.507 5.147 0 1 HKAF C[C@]1(c2c[nH]cc2-c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344367 GOCJPBZVGHTUCC-AZGAKELHSA-N 413.448 5.801 0 1 HKAF Cc1nc(-c2ccc(Br)cc2)sc1-c1cc2c3c(cccc3n1)CC2 587360759 PRAPVYTYPJZCFG-UHFFFAOYSA-N 407.336 6.195 0 1 HKAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc(F)cc1 587383500 CLKBRJRSGMNDES-HSZRJFAPSA-N 421.468 5.401 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3cc(C)ccc3C)nc3c(C)cccn13)O2 587393778 MEOYQRSSRRILBI-JOCHJYFZSA-N 411.505 5.524 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(C=C(C)Oc3ccc(Br)cc31)CC2=O 587457654 MHGFGHSAJRXKEA-NRFANRHFSA-N 415.283 5.264 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1-c1ccc(F)c(C)c1)CC2=O 587468604 YPJROGYVORRJTQ-SANMLTNESA-N 404.481 6.340 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(CN3CCCCC3)c1)CC2=O 587473867 CKIDCQUYDYAGIV-SANMLTNESA-N 423.553 5.220 0 1 HKAF CC[C@]1(c2c(C)n(CC(=O)O)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587515131 JNJNWHYVFAHEIF-AREMUKBSSA-N 417.505 5.184 0 1 HKAF Cc1ccn2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(-c3ccccc3)nc2c1 587516511 XQAPYZIVHHZPJL-QHCPKHFHSA-N 408.501 5.895 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ncc2ccccc12 587552091 NKXJJTZWKORSQK-SIKLNZKXSA-N 403.821 5.297 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([C@@H]2CCCCO2)s1 587612225 LFKPFWSOHSKYFA-ITSWEJNFSA-N 408.475 5.398 0 1 HKAF COc1ccc(OC)c(C(=O)c2c(C(F)(F)F)[nH]c3cc(Cl)c(F)cc23)c1 587628870 SLFIOUKIXJWEJG-UHFFFAOYSA-N 401.743 5.227 0 1 HKAF CCOC(=O)c1c(Cc2cc(F)c(Cl)nc2Cl)[nH]c2cc(Cl)c(F)cc12 587629189 FQBQADOVUJJVDY-UHFFFAOYSA-N 419.642 5.569 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(F)c3)c(C(=O)c3cc(C)ccc3O)c2c1 587640999 HXVZVDPVMLTXTM-MRXNPFEDSA-N 401.481 6.733 0 1 HKAF COc1cc(C)c(Cl)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587692112 JVKRHGRUIRFPCM-JEOXALJRSA-N 412.730 5.356 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)c(O)c2Cl)N1 587696375 UBCYNPVIKVTVQA-ZIDLFYJRSA-N 405.094 5.224 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccccc2C(F)(F)F)N1 587710969 IEKCFOVVXLYFTN-ZMZPIMSZSA-N 416.256 5.599 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(C(F)(F)F)cccc32)N1 587715086 RHOCPJRQEVDEJS-MLCYQJTMSA-N 414.240 5.331 0 1 HKAF CCCCn1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 587754905 FJZJJWVMVBFYRF-RBZFPXEDSA-N 416.338 5.362 0 1 HKAF Oc1c(Br)ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587784888 VQVSBHJFVZIGEV-JYRVWZFOSA-N 421.294 5.780 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(O)c2)N1 587834683 STAMRTIIGNTYFO-RCDICMHDSA-N 412.302 5.120 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3cccs3)cs2)N1 587852472 LIYUSCPWSRCNNQ-MGNBDDOMSA-N 408.361 6.002 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC/C2=C\c2cccs2)N1 587852621 MDRFEAVLCFUOQD-NNDDWHDWSA-N 406.364 6.037 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nnc(-c2ccccc2)s1 587860820 FTOOSUAMDQLRFW-UHFFFAOYSA-N 417.321 5.763 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(C(F)F)cc(C2CC2)n1 587864435 HAFSRMURTYJHLZ-UHFFFAOYSA-N 424.373 5.562 0 1 HKAF COc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)c(C(F)(F)F)c1 653915950 FEKQREDSRFJAMD-UHFFFAOYSA-N 401.409 6.157 0 1 HKAF Cc1cccc([C@@]2(CC(C)(C)C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1C 962986434 BXRBNURCQJNCHW-FDDCHVKYSA-N 421.915 5.514 0 1 HKAF Cc1ccnc2c1CCN[C@]21CC(C)(C)CC2=C1[C@H](C(C)C)Nc1ccccc1N2 963068254 KHHAKJHHVBYQEX-OZXSUGGESA-N 402.586 5.367 0 1 HKAF O=C(NCc1ccccc1)[C@@H](Sc1nc2cc(Cl)ccc2s1)c1ccccc1 1857579812 QWUSHZUGRQAXLU-FQEVSTJZSA-N 424.978 6.100 0 1 HKAF CC(C)C[C@H](NC(=O)OCc1ccccc1)[P@](=O)(Oc1ccccc1)C(C)(C)C 1911573222 IMUVVYBDLHYALX-PBBNMVCDSA-N 417.486 6.441 0 1 HKAF CC1(C)[C@@H](O)CC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@H]2CC[C@H]2[C@@H]3[C@H]4CC[C@@]3(CC[C@@]21C)C(=O)O4 2356387695 DUENBZLSJKSMFL-BEDCZEFBSA-N 414.630 5.738 0 1 HKAF COC(=O)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 2356519142 PMSBFIOIWUJZFP-HZURFWTKSA-N 414.630 6.360 0 1 HKAF CC(C)=CCCC(C)=C[C@H](O)CC(C)=CCCC(C)=CCc1cc(O)cc(C)c1O 2356524716 CCXCYBDVGSLXIT-VWLOTQADSA-N 412.614 7.065 0 1 HKAF CC(C)C1=CC[C@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]12 2356534652 GXSBDSFFYOOCGN-RSCYRPKESA-N 424.713 8.233 0 1 HKAF CC[C@H](C)CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 2356635716 IBWBTXGHONHYOZ-WIGCRIHZSA-N 400.691 7.779 0 1 HKAF C[C@@]1(Cc2cc(Cl)ccc2C(F)(F)F)C(=O)Nc2cc(C(F)(F)F)ccc21 61905081 HKOABKLRTCZBNK-INIZCTEOSA-N 407.741 5.830 0 3 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@](C)(O)/C=C\c1cc(O)c(C)cc1O 13385238 XWQHOLPJPWBQKN-JUIZPVCTSA-N 412.614 7.370 0 1 HKAF CCCC[C@]1(CC)CS(=O)(=O)c2ccc(C)cc2[C@@H](c2ccc(F)cc2)[C@H]1O 13672990 QGOXWYNDZSFSGE-DNVJHFABSA-N 404.547 5.001 0 1 HKAF CCc1nc(-c2cccc(C)c2)c(-c2ccnc(N(C)C(=O)c3ccccc3)c2)s1 13673393 ISRJBUPUNYJTLS-UHFFFAOYSA-N 413.546 6.020 0 1 HKAF CCC(=O)C[C@H]1c2c(ccc(OC)c2OC)-c2ccc3cc4c(cc3c2N1C)OCO4 14619061 JROWJKLOBOOQMR-IBGZPJMESA-N 419.477 5.113 0 1 HKAF biogenic CCCCC/C=C\CCC(=O)CCCCCCCCCCCCCCCC(=O)OC 14619625 FVQRHFBXFNGYAZ-VKAVYKQESA-N 422.694 8.497 0 1 HKAF COc1c(CC=C(C)C)c(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1CC=C(C)C 14780948 ZUFQGSMGEHTARR-UHFFFAOYSA-N 420.505 5.897 0 1 HKAF biogenic O=[S@@](CC(F)(F)C(F)(F)F)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 28220381 URGPBBLLLHSWAF-HHHXNRCGSA-N 400.372 5.049 0 1 HKAF CN(C(=O)c1cccs1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 28335034 NSUPEERZFKQLDQ-UHFFFAOYSA-N 418.606 5.507 0 1 HKAF O=C(c1cnc(Nc2cccc(C(F)(F)F)c2)s1)c1ccccc1C(F)(F)F 28337319 IGURROUMZLDVOG-UHFFFAOYSA-N 416.346 6.155 0 1 HKAF Cc1ccc(-c2csc(NC(=O)c3ccc(Nc4ccncn4)cc3)n2)c(C)c1 28952623 VLVJYJNBPYAETJ-UHFFFAOYSA-N 401.495 5.213 0 1 HKAF O=C(O)[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1 29220453 FMAOHXQWZBRBQC-QHCPKHFHSA-N 419.908 5.753 0 1 HKAF CCCCSCCCc1cc([C@@H](CC)[C@H](CC)c2ccc(O)cc2)ccc1O 29391492 VGGNONNHCHUDLR-DNQXCXABSA-N 400.628 7.251 0 1 HKAF O=C(O)CC/C=C\C[C@H]1CO[C@@H](c2ccc3ccccc3c2)O[C@H]1c1cccnc1 36242241 QILXQJUTHTWRNC-IETVTQMWSA-N 403.478 5.449 0 1 HKAF C[C@@H](O)c1cccc(-c2ccc(Nc3ccnc4cc(-c5nccs5)ccc34)cc2)c1 45196122 ZQOJLLPNGYCGOX-QGZVFWFLSA-N 423.541 6.822 0 1 HKAF COc1ccc(CCNC(=O)c2cc(C)ccc2O)cc1-c1ccc(C(C)(C)C)cc1 45227373 WGIGOPOCRZJORD-UHFFFAOYSA-N 417.549 5.646 0 1 HKAF CC(C)(C)c1ccc(C(SC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc2)cc1 66113518 HVICNYDIWPVGLL-QHCPKHFHSA-N 419.590 5.421 0 1 HKAF Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(c1)NC(=O)C21CCC(F)(F)CC1 73161500 MQIQLCMOHRXXEA-UHFFFAOYSA-N 423.463 5.777 0 1 HKAF CC/C(=C/C=C/C(O)(CC)CC)c1cccc(OCc2ccc(CO)c(CO)c2)c1 80345787 ZPQGIRYXMGFFNL-PFFMQNFESA-N 410.554 5.151 0 1 HKAF in-vitro Cc1ccc(CNc2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccccc3F)n2)o1 82150438 CHRYSJGPHALMJM-VFNWGFHPSA-N 422.504 5.105 0 1 HKAF Cc1cccc(-c2nc(N[C@@H]3CCCC[C@H]3C)ncc2-c2nc3ccccc3s2)c1 82167472 GDTSNTCNNRGFBK-YLJYHZDGSA-N 414.578 6.719 0 1 HKAF CCCOCCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2F)n1 82175009 HHETUOICKSPGDU-UHFFFAOYSA-N 400.523 5.252 0 1 HKAF COCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2F)n1 82176111 FVFMTLWHXFKMDR-UHFFFAOYSA-N 406.486 5.132 0 1 HKAF O=C(Nc1cccc(Nc2ccc3c(c2)CCc2ccccc2C3=O)c1)c1cccs1 95580205 KVTQCVZCQXCJQE-UHFFFAOYSA-N 424.525 6.074 0 1 HKAF O=C(CCc1coc2cccc(OCC3CCCCC3)c2c1=O)c1ccc(O)cc1 96258451 SZROQWMXFIMBGE-UHFFFAOYSA-N 406.478 5.273 0 1 HKAF C[C@@]1(O)C=C2CC[C@H]3[C@@H]4CC=C(n5cnc6ccccc65)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 96928439 BQNFIOYJQIGYGE-LHYRVYERSA-N 402.582 6.201 0 1 HKAF Cc1cc(-c2cccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c2)cs1 101172205 AVOYVKPTDLXTLX-UHFFFAOYSA-N 403.503 5.334 0 1 HKAF CN[C@H]1CC[C@H](N(Cc2ccncc2)C(=O)c2sc3ccccc3c2Cl)CC1 103072770 KPTAQXGMYMSABR-CALCHBBNSA-N 413.974 5.123 0 1 HKAF C[C@@H](NCc1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118922311 HNPFUHUXZIRHMG-LYLGZYPGSA-N 407.642 6.105 0 1 HKAF O=[N+]([O-])c1ccc(N2c3nc4ccccc4cc3Sc3cc4ccccc4nc32)cc1 137973068 HCPWFSRDRXUUJD-UHFFFAOYSA-N 422.469 6.626 0 1 HKAF CC[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(CCc4ccccc4)cc3)oc2c1 168630601 JBEQJHRQEDMFEG-FQEVSTJZSA-N 423.516 5.530 0 1 HKAF CCCCC1([C@@H](O)/C=C/[C@@H]2CCC(=O)[C@@H]2CCCCCCCCC(=O)O)CCC1 169315216 QYZWGTJQKWCRIU-JQZIEACZSA-N 406.607 6.065 0 1 HKAF CC(C)NC[C@H](O)COc1c(C(C)(C)C)cc(/C=C/c2ccccc2)cc1C(C)(C)C 169315723 HZZLFCTXTCSMBF-NSFRLNINSA-N 423.641 6.190 0 1 HKAF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(/C=C1\SC(=O)N(Cc3ccccc3)C1=O)O2 169326819 JQOOJLVSLYKVKX-OCNISVCISA-N 423.534 5.181 0 1 HKAF CC(C)CCC[C@@H](C)/C=C\C[C@H](C)CCC[C@@H](C)/C=C\CC/C=C\CCCC(=O)O 169636575 YFZUHLGNZYWTSU-SGURTIPESA-N 418.706 8.985 0 1 HKAF Cc1ncccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1 223487202 NTEQIAUIPMYBNN-IZZDOVSWSA-N 403.459 5.867 0 1 HKAF CC1CCC2(CC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 238733844 XFPSVMNKBLSWJA-XNHKNAPCSA-N 412.658 6.520 0 1 HKAF CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 261499074 XGIZPVUTLMXXTK-XHUJCTCHSA-N 416.690 6.894 0 1 HKAF endogenous,in-man CCOc1ccccc1N1[C@H](c2ccccc2)[C@@]12C(c1ccccc1)=Nc1ccccc12 299847904 XTIDSQHPZXFIHY-FYZJSYNQSA-N 416.524 6.677 0 1 HKAF CCCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccccc2F)n1 299878531 JFSQJLUSRGTJBT-IIZJSDIPSA-N 424.564 5.295 0 1 HKAF Brc1ccc2c(c1)[C@H]1c3cc(Br)ccc3[C@H](C2)N2CCC[C@@H]12 473245085 UFLBFHHANSUTOM-FHWLQOOXSA-N 419.160 5.419 0 1 HKAF O=[S@](Cc1nc2c(Cl)cnc(Cl)c2[nH]1)C(c1ccccc1)c1ccccc1 586960838 PZRIKHAMTGHSAA-HHHXNRCGSA-N 416.333 5.303 0 1 HKAF CC(C)(C)c1ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c1 586961658 XJLDBTPLNTZFID-RUZDIDTESA-N 419.388 5.363 0 1 HKAF Cc1ccc2c3c(cc(-c4ncccc4Br)nc13)-c1ccccc1C2=O 586992881 FMADACBGOIZCOC-UHFFFAOYSA-N 401.263 5.579 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cccc(Oc4ccccc4)c3)nc3ccc(O)c1c23 586993175 ULURJOPTPHDWAJ-UHFFFAOYSA-N 415.448 6.611 0 1 HKAF Cc1ccc2c3c(cc(-c4cccc(F)c4Br)nc13)-c1ccccc1C2=O 586995132 IUGDITJRXLJBPW-UHFFFAOYSA-N 418.265 6.323 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(Cl)cc(F)c3[nH]1)N2 587031282 MRNCLZAKORXKOJ-CVSYOPMASA-N 422.938 5.482 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c([C@@H]3SCCc4sccc43)nc2c1 587036435 BELMAEDBKBEGNX-CYBMUJFWSA-N 408.392 6.041 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2c(Cl)ccnc2[nH]1)c1cccc(Cl)c1 587072438 WOVIKPUWOLNSMB-CQSZACIVSA-N 407.301 5.073 0 1 HKAF FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4nccc(Cl)c4[nH]3)n2n1 587120057 PCQULOMTLQSNFM-UHFFFAOYSA-N 414.778 5.007 0 1 HKAF Cc1cc(Br)cc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 587136769 MNUYUUMWWQUSPH-UHFFFAOYSA-N 418.491 5.856 0 1 HKAF COC(=O)c1cc2[nH]c(/C(=C\c3ccc(F)cc3)c3cccs3)nc2cc1OC 587163332 HVYFYEMJHMTEEO-YBEGLDIGSA-N 408.454 5.148 0 1 HKAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc(F)c(Br)c2[nH]1)C1CCCC1 587226389 PTULNRQZSZVTOC-AWEZNQCLSA-N 412.303 5.221 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](CCc2ccccc2)(C(F)F)[C@@H]1c1ccc(F)cc1 587326115 AJDTWNCMRVIDJB-ZJSXRUAMSA-N 412.407 5.527 0 1 HKAF O=C1c2ccc(O)cc2OC2(C[C@@H]3CC[C@H](C2)N3C2CCCC2)[C@@H]1c1ccc(F)cc1 587333926 DBZVOGPVJNTWGP-SIUNLJBMSA-N 421.512 5.198 0 1 HKAF CCN(C)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587338979 QWLWBBUNRAWAAD-UKILVPOCSA-N 405.469 5.262 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]3COCc2ccccc2)c1 587363409 SQOIFUAYVNGPAZ-HXUWFJFHSA-N 421.496 6.513 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Cl)c(Cl)c(C(F)(F)F)c1)O2 587382353 PAUXOQGOTJVACU-QGZVFWFLSA-N 404.215 5.783 0 1 HKAF COc1cc2c3c(c1)O[C@@]1(CCC(C)(C)c4ccc(Br)cc41)[C@@H](C2)C3=O 587417905 NHEPRJOKFZEKST-HTAPYJJXSA-N 413.311 5.172 0 1 HKAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c1ccc1ccccc41)[C@@H](C2)C3=O 587446821 GIQDVDXXAFLMSQ-RBISFHTESA-N 418.448 5.084 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(F)cc1Br)CC2=O 587465486 DNTGNVFMNXLQNP-FQEVSTJZSA-N 407.279 5.213 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCc1ccccc1)(C1(O)CCCCC1)CC2=O 587478884 CFGLSAMBECICRE-SANMLTNESA-N 408.538 5.377 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C)nc1-c1cc3ccccc3o1)CC2=O 587479549 ZSRFXGUUSFTGIE-OAQYLSRUSA-N 402.450 5.198 0 1 HKAF O=C1C[C@@H](c2ccc(COc3ccc(F)cc3F)o2)Oc2c1ccc1c2CCCC1 587504255 IESUUARTQPRSDB-QHCPKHFHSA-N 410.416 5.722 0 1 HKAF O=C1C[C@@](c2ccccc2)(c2c(Cl)cccc2Cl)Oc2c1ccc1c2CCCC1 587506782 OZDUZMMYKLIBQA-RUZDIDTESA-N 423.339 6.781 0 1 HKAF O=C1C[C@]2(CC[C@H](c3ccc(C(F)(F)F)cc3)C2)Oc2c1ccc1c2CCCC1 587507646 NNUAYXYMBUZJOY-GAJHUEQPSA-N 400.440 6.256 0 1 HKAF O=C1C[C@@](c2ccccc2)([C@H]2CCC[C@@H](C(=O)O)C2)Oc2c1ccc1c2CCCC1 587528912 GOONEGMAXMOJDS-ZTEVPRNISA-N 404.506 5.317 0 1 HKAF CCc1ccc2c(c1)C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587528929 GTWHJDKBVJZUOV-MUUNZHRXSA-N 408.497 5.581 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)cc1F 587548099 NDRLGVLAAOURLR-YLJYHZDGSA-N 404.315 5.253 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(C2CCCCC2)s1 587612297 LVOBBOVWDKJMFA-KNQAVFIVSA-N 407.491 5.599 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(C(F)(F)F)N1 587709168 IZNNJKGFOPRCFC-JDNHERCYSA-N 406.192 5.067 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1c(Cl)cccc1Cl 587867212 UUKNIVGOZFPRGV-UHFFFAOYSA-N 402.203 5.328 0 1 HKAF COc1cc(-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)ccn1 587923373 NPKDVTKRTSOVJG-UHFFFAOYSA-N 401.466 6.168 0 1 HKAF CSc1ccccc1[C@]1(c2ccccc2Cl)NCCc2c1sc(C)c2C 963021540 JPKSYFAWNXGEQU-QFIPXVFZSA-N 400.012 6.178 0 1 HKAF c1cnc2c(OCCCN3CCN(c4cccc5sccc45)CC3)cccc2c1 1772624416 HPWPNAWXBNRTHL-UHFFFAOYSA-N 403.551 5.041 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356507580 XZEUYTKSAYNYPK-WGVHQUKRSA-N 412.702 7.779 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)[C@H](CO)[C@@H]1CC3 2356655882 ORZKEIGPXNMCHC-GBWLAVQLSA-N 414.674 6.671 0 1 HKAF CC(C)=CCCC(C)=C1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)C=C[C@H](O)C(C)(C)[C@@H]3CC[C@]12C 2356719524 ALSLQXDARSAWLG-IKKYEYIXSA-N 424.713 8.255 0 1 HKAF COC(=O)c1ccc2nc(-c3ccc(C)cc3)c(Cc3ccc(OC)cc3C)n2c1 95600012 QZAALZFUKGZKNS-UHFFFAOYSA-N 400.478 5.004 0 3 HKAF Cc1ccc(-c2nc3c(C)cc(Br)cn3c2Cc2cccc(F)c2)cc1 95603453 XPAOUGGMCICKMQ-UHFFFAOYSA-N 409.302 6.111 0 3 HKAF CCCCN(C(C)=O)c1ccc2c(c1)[C@H]1C[C@H]2CCN1C(=O)OCc1ccccc1 100589438 GLIXECOSZKZGEU-HYBUGGRVSA-N 406.526 5.411 0 3 HKAF Cc1ccccc1NC(=O)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1[C@H]2Cc1ccccc1 263590779 PLHMBVMNVPVFOT-JAOKQIQISA-N 404.554 5.418 0 3 HKAF O=C(NC1CCCC1)c1c(-c2ccc(F)cc2)noc1-c1ccc(F)cc1Cl 773420 MIBWIBYSXLSBPA-UHFFFAOYSA-N 402.828 5.613 0 1 HKAF C[C@H](NC(=O)C1(C(F)(F)F)CC(C)(Cl)C1)c1ccc(Oc2ccccc2)cc1 26501770 BDFXEQUXPBUFOF-JAGHRAMZSA-N 411.851 5.996 0 1 HKAF Brc1ccc(Nc2nnc(-c3ccc(Br)cc3)s2)cc1 28638303 NXUVGSMEGBVGBM-UHFFFAOYSA-N 411.122 5.474 0 1 HKAF Clc1cccc([C@](c2ccc(CN3CCCC3)cc2)(c2ccoc2)n2ccnc2)c1 29134766 KURRCMBXISJIRZ-RUZDIDTESA-N 417.940 5.566 0 1 HKAF CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)c(Cc3nnn[nH]3)n2C1 43121271 QZCCYBUEFNCWHH-UHFFFAOYSA-N 403.917 5.162 0 1 HKAF CCCCCN1CC[C@H](NC(=O)c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)C1 45193984 HDYIQOBQDUYIPE-DEOSSOPVSA-N 421.585 5.057 0 1 HKAF O=C(Nc1ccccc1)Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12 49070121 RPQTVLZPPZHYEE-UHFFFAOYSA-N 420.476 5.186 0 1 HKAF CO[C@@H]1c2occc2[C@@H](O)C[C@@H]2[C@]1(C)C[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]21C 49785295 MRMQROGLXJNWRO-WOHKTHDMSA-N 400.603 6.679 0 1 HKAF CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(C(=O)c3ccc(C)cc3)cc2)cc1 68588887 TUJPDXHUWUZMDX-UHFFFAOYSA-N 423.534 5.049 0 1 HKAF biogenic CC[C@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCc3ccc(C)cc3)ncnc21 82179126 WFGUXRHARCWVPY-INIZCTEOSA-N 401.514 5.166 0 1 HKAF Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)C[C@H]1C=C(C(F)(F)F)C=C[C@@H]1C2 84653974 VUDCUVCODCIJBC-VXGBXAGGSA-N 409.860 5.604 0 1 HKAF COc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(=O)[C@H]1CCc2ccccc21 89470106 AIZQSTZVLBDALQ-FQEVSTJZSA-N 412.407 6.174 0 1 HKAF Cc1cc2ncn(C3=CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)c2cc1C 96927794 GXWBHVXZKPEFMM-APJCQQALSA-N 416.609 6.428 0 1 HKAF O[C@H]1CC[C@@H](c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)C1 139146887 XIDKCIBKXWPXKX-WBVHZDCISA-N 403.507 5.856 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1C(=O)C[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCCC(C)(C)[C@H]1CC3 255261727 QVROYAVYZJYRKH-PJDDAWSGSA-N 424.713 8.687 0 1 HKAF COc1cc(Sc2c(-c3ccccc3)[nH]c3cc(F)ccc23)cc(OC)c1OC 473104213 OSWODNUIOPLVSY-UHFFFAOYSA-N 409.482 6.151 0 1 HKAF C[C@@H](SCc1ccccc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586963625 PLSKIAKIZVUMIJ-SNVBAGLBSA-N 415.278 6.339 0 1 HKAF CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(C(C)(C)C)cc2[nH]1 586981340 INSQDWWLCQQJII-UHFFFAOYSA-N 415.375 6.715 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(N4CCCC4)c(F)c3)nc3ccc(O)c1c23 586986811 OOZJRIYMOUXMBM-UHFFFAOYSA-N 410.448 5.558 0 1 HKAF CC(C)Oc1cc2nc(-c3csc4ccc(O)cc34)[nH]c2cc1Br 587033661 YZLSGYPPLNQJLV-UHFFFAOYSA-N 403.301 5.700 0 1 HKAF COc1cc2nc(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2cc1C 587047025 RTWGYUHNHDWINP-VOTSOKGWSA-N 400.906 5.747 0 1 HKAF Fc1cc(Br)cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587051546 TZVLRWGQVBLWDR-BDAKNGLRSA-N 400.078 6.042 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(Cl)cnc4[nH]3)c(Cl)cc12 587078109 HWQZLBDYFAQWBP-JTQLQIEISA-N 418.280 5.464 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc2c1 587093979 XEAAIJJHXUMPBA-UHFFFAOYSA-N 423.154 6.338 0 1 HKAF CCOC(=O)Cc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1F 587103235 IXWNAZZVBZUGKN-UHFFFAOYSA-N 411.432 5.358 0 1 HKAF FC(F)(F)Oc1cccc(CSCc2nc3cc(C(F)(F)F)cnc3[nH]2)c1 587121943 HSABAZBGRMPPMB-UHFFFAOYSA-N 407.339 5.309 0 1 HKAF CCOc1cc(/C=C\c2nc3cc(Br)c(C)nc3[nH]2)ccc1OC(F)F 587130352 KZKAAGQYJAHSDF-ALCCZGGFSA-N 424.245 5.199 0 1 HKAF CCOC(=O)Cc1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1 587164308 PTBJUDLIXKJVIF-PDGQHHTCSA-N 406.482 5.458 0 1 HKAF C[C@]1([C@@H]2C[C@@H]2c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331357 PJQFBRIIGAAJIV-LTWPEAGASA-N 422.883 6.106 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)/C(=C\c2cccs2)CCC3)c1 587367274 ZZONEGQNIYUITL-VLGSPTGOSA-N 423.537 7.595 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](c2ccc(C)cc2)C3)c1 587367760 ULFMZNWQGRTZRO-HXUWFJFHSA-N 419.524 7.238 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3cccc(OC)c3)cc1)CC2=O 587484126 XYWVGJUHPLCHFK-VWLOTQADSA-N 418.489 5.639 0 1 HKAF CC[C@@]1(c2ccc(Br)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587495243 BWULZXABLNVYOW-NRFANRHFSA-N 419.746 6.252 0 1 HKAF O=C1C[C@H](c2ccc(OCc3ccc(F)c(F)c3)cc2)Oc2c1ccc1c2CCCC1 587505339 MHLCEYRGWKGWOH-RUZDIDTESA-N 420.455 6.129 0 1 HKAF Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587508296 OXLZPZRXIFFEAH-HXUWFJFHSA-N 410.876 5.559 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1OC(F)(F)F 587554756 JDCQQXOKAHJKDK-XLIONFOSSA-N 420.314 5.133 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(F)cc2F)o1 587566652 AIBAFBWGUVJIEJ-ZJSXRUAMSA-N 420.367 5.633 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)Nc1cccnc1Cl 587625376 BTIPBRCJEADXLF-UHFFFAOYSA-N 421.728 5.815 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2C(F)(F)F)N1 587714562 VXWNEQSUAVNSEB-VPTHRUTESA-N 406.192 5.370 0 1 HKAF CCn1nc(CC[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587761625 BHVTWZNHFXTHPW-ORAYPTAESA-N 416.338 5.166 0 1 HKAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC(C)C 587792376 KNTLKSPAJLJQOZ-LRTDBIEQSA-N 422.338 5.255 0 1 HKAF CCCCOc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587798570 YZQLKPCJCNUUDP-LHSJRXKWSA-N 406.339 5.565 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C2(O)CCCCC2)N1 587821339 HUIUHNVFXMSLSV-NYHFZMIOSA-N 418.350 5.061 0 1 HKAF CC(C)[C@@]1(c2cc3ccccc3o2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587828180 MPOQDRNMYBIRRP-ZSEKCTLFSA-N 402.307 5.768 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccc(O)cc3)c2)N1 587831489 HPYWEYCVYQXQHA-XMHCIUCPSA-N 412.302 5.584 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(O)cc2)N1 587835970 YVPCAJNZTDFJRM-RCDICMHDSA-N 412.302 5.120 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(CN3CCCC3)cs2)N1 587849285 SARIASQRFNMJNP-ZUOKHONESA-N 423.395 5.043 0 1 HKAF COc1ccc(-c2ccc(-c3nc4c(F)c(F)c(Cl)cc4[nH]3)cc2)cc1OC 587928548 JPZOYIWZOAUNPF-UHFFFAOYSA-N 400.812 5.846 0 1 HKAF COc1ccc(-c2cccc(-c3nc4ccnc(Br)c4[nH]3)c2C)c(OC)c1 587929308 MOWPIMPJWQPWDC-UHFFFAOYSA-N 424.298 5.380 0 1 HKAF COc1cccc(C2(c3nc4cc(Cl)cc(Br)c4[nH]3)CCCC2)c1 587931945 RKMGAKXPNPSUCB-UHFFFAOYSA-N 405.723 5.848 0 1 HKAF O=C(O)c1cc(Br)cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 587949519 VQKPFHIZKRZXRY-UHFFFAOYSA-N 423.266 5.407 0 1 HKAF COC(=O)c1cc(Br)c2[nH]c(/C=C\c3cccc4ccccc34)nc2c1 587969454 SWJFLDMXLUONQN-KTKRTIGZSA-N 407.267 5.436 0 1 HKAF CC[C@@H](c1cccc(OC)c1)[C@]1(CC)c2ccsc2CCN1Cc1cccn1C 962378279 YFVLKCYEKPKGKL-WIOPSUGQSA-N 408.611 5.953 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CCc2ccccc2)(c2cccc(C)c2C)N1 962938883 AEBOOLJZWQNKRY-IADCTJSHSA-N 408.589 6.585 0 1 HKAF Cc1nc2scc(C3CC3)n2c1[C@H]1c2ccsc2CCN1Cc1cccnc1 962991818 FIVYGZMMFNMCPQ-OAQYLSRUSA-N 406.580 5.186 0 1 HKAF Cc1cccc2c1[C@H](c1ccc3cc[nH]c3c1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963856303 WVOLLFAPGVWGEN-XXBNENTESA-N 420.509 5.202 0 1 HKAF COc1ccc2nc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(Cl)cc3)nc2c1 1857650765 WCHPDIHPVKBDRL-UHFFFAOYSA-N 424.909 5.029 0 1 HKAF Cc1sc(-c2cccc(Cl)c2)nc1OC(=O)N1CCC(N2CCCCC2)CC1 1857767070 KZNSSVGCNBAAIC-UHFFFAOYSA-N 419.978 5.221 0 1 HKAF Brc1ccc(-c2csc(N3COc4ccc5ccccc5c4C3)n2)cc1 1857772298 TXPHRIWFLDERCP-UHFFFAOYSA-N 423.335 6.082 0 1 HKAF CCCCC[C@@H](O)C=CC(=CCCCCCCCC(=O)O)Cc1cccc(O)c1 2356373434 AFQXEDJRLDNVOM-HSZRJFAPSA-N 402.575 6.174 0 1 HKAF C[C@@H]1CCC[C@]2(C)CC[C@]3(C)[C@H](C=C[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 2356412139 INZYDYJREHWAIL-HOUYOZLHSA-N 412.702 7.635 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc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c3ccoc3)C[C@@H]2[C@@]2(C)CCCC(C)(C)[C@@H]12 15166213 YICWDSWOFGXBBN-IYXACIGFSA-N 400.515 5.224 0 1 HKAF biogenic CCCCCn1c2cc(C(F)(F)F)ccc2c2oc(C(=O)N3CCOCC3)cc21 26385830 HQAQYYCKQFZVNR-UHFFFAOYSA-N 408.420 5.069 0 1 HKAF C[C@H]1C(=O)c2c(n(O)c3ccc(Cl)cc3c2=O)C[C@H]1c1ccc(Cl)c(Cl)c1 27089099 WZMMANFTFJNFIU-BXKDBHETSA-N 422.695 5.358 0 1 HKAF Cc1cc(-c2c(F)cc3/c(=N/c4ccccn4)ccn(C4CC4)c3c2F)cc(C)n1 27329480 MWENFPSFSMITJM-ZTKZIYFRSA-N 402.448 5.561 0 1 HKAF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C=C([P@H](=O)O)CC[C@]4(C)[C@@H]3CC[C@]12C 27549538 KJKOZLCYQNBBEX-PEBPRRILSA-N 419.546 5.441 0 1 HKAF COc1cc([C@H]2C[C@H](OC3CCCCC3)c3cc4c(cc32)OCO4)cc(OC)c1O 28089204 SPILAHSPTWGSLZ-APWZRJJASA-N 412.482 5.064 0 1 HKAF CCCC[C@@H](O)CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28528725 IQHQCVIBXRNUMY-HSZRJFAPSA-N 421.560 5.613 0 1 HKAF OC1(c2ccccc2)CCN([C@@H](c2ccccc2)c2ccccc2C(F)(F)F)CC1 28708184 VBFYXOKBNYPBSS-QHCPKHFHSA-N 411.467 5.778 0 1 HKAF CCN(CC)CCCOc1cc2c(cn1)[C@@H](c1ccc(Cl)c(Cl)c1)CN(C)C2 28825293 KVVJWXBYIMMQTR-LJQANCHMSA-N 422.400 5.076 0 1 HKAF Cc1ccc([C@H](O)c2cccc([C@H](C)CN3CCCC[C@@H]3CC3CCCCC3)c2)cc1 29411067 GJBDYIWLLXEWQA-ZPJFYFFZSA-N 419.653 7.005 0 1 HKAF CCCCC/C=C\C/C=C\CCCCCCCCCCCCCc1ccc(C=O)[nH]1 34576336 XRPAGQHROSRLNO-HZJYTTRNSA-N 413.690 9.134 0 1 HKAF O[C@H](COc1cccc2[nH]ccc12)CN1[C@@H]2C=C(c3ccc4ccccc4c3)C[C@H]1CC2 36248160 ZECABFDWVHQCGW-GVAUOCQISA-N 424.544 5.381 0 1 HKAF CCCCCC[C@@H](Sc1nc(Cl)cc(NCCc2ccccc2)n1)C(=O)O 40393177 BJBAGSHQHZYGGS-MRXNPFEDSA-N 407.967 5.300 0 1 HKAF Cc1cc(C)c2nc(-c3cccnc3)cc(C(=O)Nc3ccc4ccccc4c3)c2c1 40865993 RWSUTJCZVCXQIB-UHFFFAOYSA-N 403.485 6.319 0 1 HKAF N[C@H](CCc1cc(-c2ccc3cnccc3c2)no1)Cc1ccc(C(F)(F)F)cc1 43202405 HZEDOBNROFBZAQ-HXUWFJFHSA-N 411.427 5.411 0 1 HKAF Fc1ccc(NC(=S)Nc2ncnc3c2sc(=S)n3-c2ccccc2)cc1 45286189 VLNYQYKJSFSZSZ-UHFFFAOYSA-N 413.528 5.159 0 1 HKAF c1ccc(C(CNc2cncc(Oc3cccc4cccnc34)n2)c2ccccc2)cc1 82068912 ICARJNBOSIVOFJ-UHFFFAOYSA-N 418.500 6.061 0 1 HKAF COc1ccccc1[C@@H](O)c1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 82078081 JHWVBAMMHFANGC-HXUWFJFHSA-N 405.479 5.164 0 1 HKAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccccc2)C1 82132950 FVFFXNXSPLFQOS-WOZUAGRISA-N 420.601 5.277 0 1 HKAF O=C(c1cnc(N2CCCCC2)nc1-c1ccc(-c2ccccc2)cc1)N1CCCC1 82153537 QEPIVMFGRFVKPE-UHFFFAOYSA-N 412.537 5.037 0 1 HKAF CC[C@@H](C)Cn1c(-c2cccnc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188135 ONJIRUOZDFODJQ-QZTJIDSGSA-N 400.530 5.150 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 95560055 HPTHUMWGDKHRBF-LJQANCHMSA-N 421.374 6.204 0 1 HKAF CC1=C(C(=O)OC2CCCC2)[C@@H](c2coc3ccccc3c2=O)C2=C(O)CCCC2=N1 101478259 SGGUTOYRQMWQNK-JOCHJYFZSA-N 419.477 5.087 0 1 HKAF CN(C)CCCN1C(=O)C(=C(c2ccccc2)c2ccccc2)c2cc(F)ccc21 103192184 COUGLQGPTLUFKX-UHFFFAOYSA-N 400.497 5.083 0 1 HKAF CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(O)=C2[C@H]1c1ccco1 104048835 FZYZAUVLVXQPJH-NIYFSFCBSA-N 412.489 6.158 0 1 HKAF CC[C@H](Nc1cc(C)cc(CN2CC[C@@H](C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 118388204 CMEDZQAIDUYNGV-KNQAVFIVSA-N 400.950 5.427 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 135649282 PRKPDIRLXGMLSU-KUIQRPKXSA-N 400.691 7.491 0 1 HKAF O=C(c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1)N1CCCCC1 145576290 AHNRYRMCWPICBG-HXUWFJFHSA-N 420.534 5.628 0 1 HKAF C[C@@H]1C[C@H]2C3=CC=C(c4cncc(F)c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCN(C)C(=O)C=C12 169236246 ZRIMUHGYPGOPDC-LUKLVLPWSA-N 406.545 5.411 0 1 HKAF CCCC/C=C\CCCCCCCCOC(=O)CCCCCCC/C=C\CCCC 169622306 DLWIEMYWILBAKT-HWAYABPNSA-N 420.722 9.484 0 1 HKAF CC1=Nc2nc3ccccc3n2[C@@H](c2ccco2)[C@H]1C(=O)Nc1ccc(F)c(Cl)c1 169724286 KYCWRDXLEJWCRP-PMACEKPBSA-N 422.847 5.372 0 1 HKAF C/C=C(/C)[C@H](O)[C@@H](C)/C=C(\C)C/C=C/C(C)=C\Cc1nc(OC)c(OC)c(O)c1C 238775583 ZQLBCAUKNYXILZ-RVNHJFJSSA-N 415.574 5.457 0 1 HKAF CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4C(=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@@]3(C)CC[C@]12C 255245866 NJNPMDXPFWEXDS-PWKXLIGRSA-N 424.713 7.945 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCCC(C)(C)[C@@H]3CC[C@]12C 263637647 OORMXZNMRWBSTK-HUNNLDBVSA-N 414.762 9.524 0 1 HKAF O=C(N[C@H]1CC[C@H](CCN2CCc3ccc(F)cc3C2)CC1)c1cc2ccccc2[nH]1 473130592 LAYSDYUVMIPZMR-RXAXNXDRSA-N 419.544 5.044 0 1 HKAF Oc1cccc(CCCCc2nc3c(Br)ccc(Br)c3[nH]2)c1 586896805 YQUZQCXRDYOBEQ-UHFFFAOYSA-N 424.136 5.359 0 1 HKAF CCc1cc(O)nc(SCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)n1 586967048 SIOKDHQTXCAXIE-UHFFFAOYSA-N 419.535 5.190 0 1 HKAF CCOc1cc(/C=C\c2nc3cc(OC)c(F)cc3[nH]2)cc(Br)c1OC 586978304 NSMJCSFLFWBIMA-WAYWQWQTSA-N 421.266 5.051 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(Br)ccc3O)nc3ccc(O)c1c23 586985394 WAPLCCADRJCUTI-UHFFFAOYSA-N 418.246 5.287 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc4c(c3[nH]1)CCCC4)N2 587031563 ONOUCQDQYKWXSK-OMJMQIJPSA-N 424.595 5.569 0 1 HKAF Fc1cnc(Cl)c2[nH]c(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587071488 NLTRNKMLXMZLFL-TWGQIWQCSA-N 414.267 6.153 0 1 HKAF Clc1nccnc1N1CCC(c2nc3ccc(Oc4ccccc4)cc3[nH]2)CC1 587084512 BKJUJHLERAOECC-UHFFFAOYSA-N 405.889 5.183 0 1 HKAF Cc1ccc(Cc2nc3cc(Cl)cc(Br)c3[nH]2)cc1C(F)(F)F 587095060 OQMZNSAJZFCFOU-UHFFFAOYSA-N 403.629 5.897 0 1 HKAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(C(C)(C)C)nc2[nH]1 587122704 WPPPMKIQGUCHPJ-UHFFFAOYSA-N 400.404 5.678 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Cl)cc(F)c4[nH]3)c(F)c2)c1 587147303 LKZOEUWDWXHHIF-UHFFFAOYSA-N 414.795 5.535 0 1 HKAF Cc1c(Cl)ccc2nc(-c3cc(I)ccc3Cl)[nH]c12 587182652 LOAYQOFGPVYSFK-UHFFFAOYSA-N 403.050 5.450 0 1 HKAF O=C(Nc1ccccc1)c1ccc(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)cc1 587244944 SHAKRIPRJQYJMZ-UHFFFAOYSA-N 413.424 6.094 0 1 HKAF CCCOc1cc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2cc1Br 587259548 VIRBWSHDYVFJGH-SFHVURJKSA-N 424.342 5.510 0 1 HKAF O=C1c2ccc(O)cc2OC2(CCC(C3CCCCC3)CC2)[C@@H]1c1ccc(F)cc1 587351607 KHESOXHKMDYNQD-RMIBCPJUSA-N 408.513 6.400 0 1 HKAF COc1cccc(-c2cc(-c3ccc(C(F)(F)F)cn3)nc3c2oc2ccccc23)c1 587358633 DSJYBWNLZCBATM-UHFFFAOYSA-N 420.390 6.737 0 1 HKAF Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587389897 DOAMOQSFSPJGHA-RUZDIDTESA-N 423.516 5.753 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1cccc(C)c1 587399078 HPZLAEOQJOIRIY-QHCPKHFHSA-N 403.478 5.180 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3ccc(C(C)C)cc3)o1)CC2=O 587479506 IJAFMZCYAGKUCV-RUZDIDTESA-N 420.505 6.347 0 1 HKAF C[C@@]1(c2ccc(-c3ccc(Cl)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587505137 YHWCTVJWOSPQSC-SANMLTNESA-N 402.921 6.766 0 1 HKAF Cc1ccc(C)c(-c2[nH]c3ccccc3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587528441 ZSTIMHOAUXLBKI-SANMLTNESA-N 421.540 7.037 0 1 HKAF Cc1cccc(Br)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542178 XMPKBBHIBFMOQP-GHTZIAJQSA-N 411.251 5.166 0 1 HKAF CC[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545265 HAILSFBMYOWDCE-DENIHFKCSA-N 414.379 5.678 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1cccs1 587615729 XQLGLYSJGRUTFZ-RDGATRHJSA-N 414.482 5.554 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(CNC(=O)OC(C)(C)C)c(CCCC3OCCO3)c2c1 587642917 QBVXXLIHVUDUGA-MRXNPFEDSA-N 416.562 5.402 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CC=C(Br)CC2)N1 587681396 KSVDPVNPPBEEAD-MOCULFSLSA-N 417.160 5.417 0 1 HKAF CCCCO/C=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587704943 KDLWUYZDEVFCAO-DABRSWAMSA-N 410.249 5.210 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)cc2C(F)(F)F)N1 587711564 LABZFBXJKFEDFK-XLFHBGCDSA-N 418.228 5.110 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2OC(F)(F)F)N1 587718296 IHALZYLETDMIRB-BCTVWOGZSA-N 422.191 5.250 0 1 HKAF CC[C@@]1(c2cc(F)c(OC)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587719061 KDQVYTVOKNUURA-OVWNDWIMSA-N 414.265 5.063 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2OC(F)(F)F)N1 587720405 NOEBQQFUROKSJR-BCTVWOGZSA-N 422.191 5.250 0 1 HKAF CC(C)=C1NCCc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc21 587792323 IHFFFZSPWSCOCY-WHEQGISXSA-N 415.350 5.108 0 1 HKAF CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCC)c1 587800049 FDULOAHCIGUTHF-YUNKPMOVSA-N 408.311 5.009 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(OCc3ccccc3)CC2)N1 587809697 JGHSQBAYNAFUMB-DBXLBAIQSA-N 418.350 5.477 0 1 HKAF COC(=O)CCCCCCCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587812400 YYQIVBQXPTXOJE-AUUYWEPGSA-N 414.359 5.457 0 1 HKAF Cc1ccccc1-c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587827248 IYSNTPUAXFDACQ-ASSNKEHSSA-N 400.291 5.780 0 1 HKAF CC(C)c1cccc2c1OCCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587835890 RFOVLMXNXNLTFY-JLCFBVMHSA-N 418.350 5.662 0 1 HKAF Cc1cccc(-c2nc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cs2)c1 587854287 SMRSEEGYJPWXMW-CWTRNNRKSA-N 417.347 5.644 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(Oc2ccccc2)cc1 587862784 JKRVQPKENZJTAG-UHFFFAOYSA-N 410.395 6.359 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1ccc(Cl)cc1 587864054 BUWJPZISBODGMA-UHFFFAOYSA-N 408.807 5.504 0 1 HKAF COc1ccc(-c2ccc(-c3nc4nc(C)c(Br)cc4[nH]3)cc2)cc1OC 587927209 PDTRTQBMZWXAQK-UHFFFAOYSA-N 424.298 5.380 0 1 HKAF COc1cc(C2(c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)CC2)ccc1C 587927638 VBGGBPSBPLHDOR-UHFFFAOYSA-N 411.530 6.237 0 1 HKAF COc1ccc(-c2cccc(-c3nc4c(Cl)c(Br)cnc4[nH]3)c2)cc1 587936034 PVZGXLYMRCTNHK-UHFFFAOYSA-N 414.690 5.716 0 1 HKAF Nc1cccc(Br)c1-n1c(-c2cccs2)ccc1-c1cccs1 587937645 UHHPIQKQSXAKQP-UHFFFAOYSA-N 401.354 6.279 0 1 HKAF CCCOc1cc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2cc1Br 587951125 JKQJUZPJVLJJNE-UHFFFAOYSA-N 401.304 5.713 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]12CCCCCCC21CC1 961752878 WBKAGQGQNWDSSE-AREMUKBSSA-N 410.602 6.168 0 1 HKAF Cc1c(F)ccc2c1[C@@]1(C=C(c3ccccc3O)Oc3ccc4ccccc4c31)NCC2 962298380 LIHQTIOLZKIFBZ-MUUNZHRXSA-N 423.487 5.816 0 1 HKAF Cc1cccc(C)c1CC[C@@]1(c2cccc(Cl)c2)NCCc2c1c(C(C)C)nn2C 962920498 MXORPFNFZHSKSB-SANMLTNESA-N 422.016 5.836 0 1 HKAF Cc1sc2c(c1C)CCN[C@]2(C[C@](O)(c1ccccc1)C(F)(F)F)C(C)(C)C 963012665 QHMKKGVWTSZXAU-SFTDATJTSA-N 411.533 5.592 0 1 HKAF CCOP(=O)(OCC)[C@@H](N(O[C@H](C)c1cc[n+](C)cc1)C(C)(C)C)C(C)(C)C 1857613936 SRYWXYURLCJIIJ-IEBWSBKVSA-N 415.535 5.243 0 1 HKAF CCCC=CCC=CCC=CCC=CCC=CCC=CCC(=O)OC(CO)CO 2356532708 UVLMLZSAFTZAMD-UHFFFAOYSA-N 402.575 5.361 0 1 HKAF CC(=CCCC(=CC=CC1=CC(=O)O[C@H]1O)CO)CCC1=C(C)CCCC1(C)C 2356623481 IXZLFRIHNOJYGA-XMMPIXPASA-N 400.559 5.296 0 1 HKAF CCC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]1CC[C@@H]1[C@@H]2CC=C2C[C@@H](O)CC[C@]21C)C(C)C 2356653590 LPKGEXRCVBMHFE-VWKKVNCTSA-N 414.718 8.025 0 1 HKAF COc1cc(O)c(C)c(CC=C(C)CC=CC(C)=C[C@@H](C)[C@H](O)C(C)=CC(C)C)n1 2356675619 CHFFBNSQZJTFMA-QFQXNSOFSA-N 413.602 6.085 0 1 HKAF C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)NCc5ccccc5)[C@@H]4CC[C@]3(CC1=O)C2 36387910 XXTWNNJUTAYEDM-IUSASLOISA-N 407.598 5.675 0 3 HKAF O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)Nc1cc(F)cc2c1OCOC2 1025572 BNJCJLVNKUEGJU-UHFFFAOYSA-N 421.453 5.613 0 1 HKAF CC(C)C[C@@H]1CN2C(=NC[C@H]2C2CCCCC2)N1CCC12CC3CC(CC(C3)C1)C2 5962801 QNKXLYUZSLTESN-REPWKVNNSA-N 411.678 5.944 0 1 HKAF CCOC(=O)c1c(CC)c(C(=O)SCC)c(C2CCC2)[n+](C)c1-c1ccccc1 13801289 TXHVSWXZNWCEIS-UHFFFAOYSA-N 412.575 5.078 0 1 HKAF CCS[C@H](Cc1ccc2oc(Cc3nc(-c4ccccc4)oc3C)cc2c1)C(=O)O 27302822 DSGGNDMOVRMGCQ-JOCHJYFZSA-N 421.518 5.736 0 1 HKAF CC[C@@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4ccc(F)cc4)oc3C)ccc21 28563449 HOLWSQOWERGNCR-IFMALSPDSA-N 423.484 5.551 0 1 HKAF FC(F)(F)c1cc(Nc2nnc(Cc3c(Cl)cccc3Cl)o2)ccc1Cl 28862903 FQEZZYRVVGWUID-UHFFFAOYSA-N 422.621 6.383 0 1 HKAF CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cccc(C)c2)nc1CC 28956410 DMQLXMXYNAJBCN-BJKOFHAPSA-N 417.553 5.817 0 1 HKAF Clc1ccc([C@H](Cc2c(Cl)cccc2Cl)Cn2ccnc2)c(Cl)c1 33493885 VHYNOIWRVJDVMR-GFCCVEGCSA-N 400.136 6.523 0 1 HKAF Cc1cccc([C@@](C)(O)[C@H]2CCCC3=Cc4c(-c5ccc(F)cc5)ncn4C[C@@]32C)c1 45245705 PZXDYRZHRISNBO-DOEKTCAHSA-N 416.540 6.109 0 1 HKAF C[C@@H](Oc1ccc2ncc([C@@H]3C[C@H]3C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl 45373211 QACCVOJRKKIYFM-WKPIXPDZSA-N 419.283 5.410 0 1 HKAF C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 70455570 GMBQZIIUCVWOCD-VXLWFVRDSA-N 416.646 5.794 0 1 HKAF Cc1cccc(-c2nc(NC3CCCCC3)ncc2C(=O)N(C)C2CCCCC2)c1 82145794 CLVZPCPWKCTNEP-UHFFFAOYSA-N 406.574 5.601 0 1 HKAF COc1cc(/C=C/c2nnc(-c3ccc(Cl)cc3Cl)o2)cc(OC)c1OC 96284430 WIHARNJSUAVRSG-QPJJXVBHSA-N 407.253 5.240 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CN)CC[C@]4(C)[C@H]3CC[C@@]21C 96914252 YYGAFSDGRDQHGJ-WNWGVQQNSA-N 401.723 7.683 0 1 HKAF c1ccc2c3c(ccc2c1)O[C@H](c1c[nH]c2ccccc12)N[C@H]3c1c[nH]c2ccccc12 98084487 BIRPDCCULMGMTN-WUFINQPMSA-N 415.496 6.573 0 1 HKAF OC1=C2C(=Nc3nc(SCc4ccccc4)nc(O)c3[C@@H]2c2ccccc2)CCC1 100704387 MVBRMIOMQSLWMP-LJQANCHMSA-N 415.518 5.689 0 1 HKAF OC1=C2C(=Nc3nc(SCc4ccccc4)nc(O)c3[C@H]2c2ccccc2)CCC1 100704388 MVBRMIOMQSLWMP-IBGZPJMESA-N 415.518 5.689 0 1 HKAF COc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1O[C@H]1C[C@@H]2CC[C@@H]1C2 100742893 JITWRUMFYWXWGT-VFVRVIDISA-N 406.309 5.822 0 1 HKAF CCN(CC)CCCCCCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1 103299336 FSBYFESMSCCEQW-VAWYXSNFSA-N 411.586 6.155 0 1 HKAF O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(-c2cccc3ccccc23)c1 113791480 FSAPKGGWSCLGCG-UHFFFAOYSA-N 401.849 6.111 0 1 HKAF Cc1cc([C@@H](C[C@@H](c2ccc(Br)cc2)c2ccccc2C)N=O)ccn1 169730224 INISOYAKHGTHDU-FCHUYYIVSA-N 409.327 6.491 0 1 HKAF NC1=N[C@@](c2ccccc2)(c2cccc(-c3ccccc3)c2)C(=O)N1C1CCCCC1 218649960 RHABWWDRGMFEQE-MHZLTWQESA-N 409.533 5.087 0 1 HKAF C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccc(C(=O)OCC)c4)c3c2)c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c1cc(NC(=O)c2c(Cl)cc(N3CCCCC3)cc2Cl)ccc1O 473115001 QICVTFAEGDDJAY-UHFFFAOYSA-N 421.368 6.239 0 1 HKAF O=Cc1ccc(OCc2occc2-c2nc3cc(Br)cc(F)c3[nH]2)cc1 586900343 GFMDEMRBEQVRDQ-UHFFFAOYSA-N 415.218 5.116 0 1 HKAF Cc1ccc(-c2nnc(SCc3nc4cc(F)cc(C(F)(F)F)c4[nH]3)n2C)cc1 586965198 LKHZHNBNBVEVQU-UHFFFAOYSA-N 421.423 5.117 0 1 HKAF CCCC(Br)(CCC)c1nc2cc(Br)c(F)c(F)c2[nH]1 586970139 AMWIGZVSTBQXGO-UHFFFAOYSA-N 410.100 5.794 0 1 HKAF CCOC(=O)c1ccc2[nH]c(-c3cccn3-c3ccc(Br)cc3C)nc2c1 586980688 DOULYVFGHYZWGD-UHFFFAOYSA-N 424.298 5.268 0 1 HKAF Cc1ccc2c3c(c(Cc4cccc(F)c4C(F)(F)F)cnc13)-c1ccccc1C2=O 586994043 VKMMNBKANRTUMA-UHFFFAOYSA-N 421.393 6.503 0 1 HKAF Brc1c(OCc2nc3cc4ccccc4cc3[nH]2)ccc2ccccc12 587002518 VUXKWDRFGCFVOC-UHFFFAOYSA-N 403.279 6.211 0 1 HKAF CCOC(=O)c1ccc2[nH]c(-c3ccc(CSc4nc(C)cs4)cc3)nc2c1 587022555 YUXNMQOJHBBZGB-UHFFFAOYSA-N 409.536 5.464 0 1 HKAF Cc1c(Br)ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 587063553 WDALUGIBXVIFMT-UHFFFAOYSA-N 411.730 6.545 0 1 HKAF O=C1c2ccccc2-c2cc(Cc3cccc(Br)c3)nc3cccc1c23 587101158 DOHLTTNSXWQNAI-UHFFFAOYSA-N 400.275 5.800 0 1 HKAF Cc1cc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2cc1Br 587163473 JLZPRWCINMAOHJ-XNTDXEJSSA-N 413.315 6.423 0 1 HKAF Cc1c(Br)cc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1C 587204601 KSCBBARVUYQZGQ-OAHLLOKOSA-N 424.383 5.424 0 1 HKAF COC(=O)Nc1ccc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)cc1 587243557 OBNBNQFDZYZWDI-UHFFFAOYSA-N 414.181 5.190 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCOc3c(Cl)cccc32)[C@H]1c1ccc(F)cc1 587331190 PCKDZRUNFVRKNN-REWPJTCUSA-N 410.828 5.222 0 1 HKAF C[C@]1(c2ccccc2CCCCF)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333933 OEIOUVROTCUALW-AZGAKELHSA-N 422.471 6.098 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cccc(Cl)c2CC3)c1 587358401 AWWYXNFNGHZVKD-UHFFFAOYSA-N 411.888 7.076 0 1 HKAF COc1cccc(-c2cc(-c3ccc(C(F)(F)F)n3C)nc3c2oc2ccccc23)c1 587361366 ZTTKTYUQAMXJOI-UHFFFAOYSA-N 422.406 6.681 0 1 HKAF COc1cccc(-c2cc(-c3cc(OC)ccc3OC)nc3c2oc2ccccc23)c1 587363316 QNOZFVLWTAHINT-UHFFFAOYSA-N 411.457 6.341 0 1 HKAF COc1cccc(-c2cc(-c3nccc4ccccc34)nc3c2oc2ccccc23)c1 587363421 MXPIMPDXICFZRU-UHFFFAOYSA-N 402.453 6.872 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)(C13CC4CC(CC(C4)C1)C3)O2 587405909 OCDWXICJJLUCGW-XRXOXJPUSA-N 401.550 5.740 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](c2ccccc2)Oc2cc(O)ccc21 587486687 MHZVICLWUXGLAX-AZGAKELHSA-N 416.473 5.435 0 1 HKAF CCOC(=O)[C@@]1(c2ccc(C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587526606 YQIPNCGOUGFSGA-SANMLTNESA-N 406.522 5.287 0 1 HKAF O=C(O)CC[C@]1(c2ccc3c(c2)CCCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587528496 AFQGLMFKMIKTIV-AREMUKBSSA-N 404.506 5.170 0 1 HKAF O=C1C[C@](c2ccccc2)([C@@H]2CC=CC[C@@H]2C(=O)O)Oc2c1ccc1c2CCCC1 587529562 PHLBRKOBGXPPNC-HXAGEGRHSA-N 402.490 5.093 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1SC(F)(F)F 587552999 CUCICFFTBROBOV-XLIONFOSSA-N 418.392 5.707 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cc(Cl)nc1Cl 587554925 YKSDSJZDGOEOAX-CRAIPNDOSA-N 422.651 5.450 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2F)s1 587568033 JYOHPYKJEHZFFB-ZJSXRUAMSA-N 418.445 5.963 0 1 HKAF CCCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587593483 DSWMCKBOUJHYTH-DHLKQENFSA-N 420.461 5.283 0 1 HKAF Cc1ccsc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612916 LMQRCSZWBDIUIV-OFVILXPXSA-N 414.482 5.668 0 1 HKAF Nc1ccccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1 587623344 QLELNXQACLKCRR-UHFFFAOYSA-N 403.283 5.723 0 1 HKAF Fc1cc2c(-c3ccccc3F)c(-c3ccccc3Br)[nH]c2cc1Cl 587629393 NTZFRJROXVOHFT-UHFFFAOYSA-N 418.668 7.196 0 1 HKAF Oc1nccc2c(Oc3c(-c4ccccc4)[nH]c4cc(Cl)c(F)cc34)cccc12 587632629 MWGGJXTYGXTSGJ-UHFFFAOYSA-N 404.828 6.674 0 1 HKAF O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3cccc(Br)c3)[nH]c12 587637612 DKEBJLOJOGVILN-UHFFFAOYSA-N 412.161 5.041 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2cccc(C(F)(F)F)c2)N1 587710049 BNGNZLRMGBCSSD-RNMACCOLSA-N 414.240 5.896 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccc(F)cc3)n2)N1 587736757 UDKCMUDDUATJJV-QKVFXAPYSA-N 415.281 5.413 0 1 HKAF CC[C@]1(c2ccc([C@H](C)OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587795653 SAHRMLSGYIQKGD-HKZYLEAXSA-N 406.339 5.483 0 1 HKAF CCc1ccc(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587798711 VMHMUDVUSHSRDS-LAJNKCICSA-N 414.322 5.164 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)NCc1ccc(Cl)cc1 587856328 VBSTYSJACZNVRO-UHFFFAOYSA-N 424.715 5.667 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 587858123 CYBCIHDTTBBAPS-DNVCBOLYSA-N 407.341 6.134 0 1 HKAF Cc1cc(F)c2[nH]c(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)nc2c1 587948451 CTKHWNNUCZLZFZ-ULYRPOKDSA-N 408.517 6.295 0 1 HKAF Fc1c(Br)ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587950189 QIJAHNKARSPANW-JLHYYAGUSA-N 409.258 6.427 0 1 HKAF O=C(O)c1cc(Br)c([C@@H]2c3ccsc3CCN2Cc2ccco2)s1 962717658 VJDFKRQJAJCJDW-HNNXBMFYSA-N 424.341 5.011 0 1 HKAF O=C1CSC2=Nc3c(sc4ccc(Cl)cc34)[C@H](c3ccc4ccccc4c3)N12 1857593122 VPROVJRQLOASRW-FQEVSTJZSA-N 420.946 6.374 0 1 HKAF CC(C)CC[C@H]1O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2[C@@H]1C 2356413481 YHRVCEOENVRMCE-YJMTXZGBSA-N 416.646 5.347 0 1 HKAF CC(C)CC=C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356444838 KUVJXIWTCCCGQO-NKMCXGMGSA-N 400.691 7.491 0 1 HKAF CC(C)=CCC[C@@]1(C)C=Cc2c([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)ccc(O)c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c1nc2ccc(C)cc2[nH]1 2356647351 JLYVYGVEWUYESF-ZLNRFVROSA-N 421.629 5.965 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)C[C@H](C)[C@@H]4[C@@H]3CC[C@@]12C)C(C)C 2356681981 LAGFCVRVICMFFF-RRRQHMFVSA-N 414.718 8.169 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCC(C)C)C1 2356746351 PZCACFCRRKXFLZ-YIYYBQRVSA-N 416.690 7.649 0 1 HKAF O=C(Nc1cc(Cl)ccc1Cl)c1cccc2c1C(=O)N(C1CCCCC1)C2 4992446 CWDHLFBEKSVJHF-UHFFFAOYSA-N 403.309 5.534 0 1 HKAF CCCCNc1nc(C)nc2c1nc(-c1ccccc1)n2CCCN1CCCC[C@@H]1C 7991832 DIPQUOCUROXXET-IBGZPJMESA-N 420.605 5.278 0 1 HKAF C[S@@](=O)c1ccc(CSc2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 13491666 PRYUWQSCZBKGMW-LJAQVGFWSA-N 423.538 5.308 0 1 HKAF in-vivo Cc1c(C(=O)NCc2ccc(Cl)cc2)nc2ccccc2c1-c1ccccc1F 13765048 PBDVYJLASLOWGK-UHFFFAOYSA-N 404.872 5.933 0 1 HKAF CC(C)(C)c1ccc([C@H](c2cccc(O)c2)C2CCN(Cc3ccccc3)CC2)cc1 13803306 ZDRADNOKATWGBW-NDEPHWFRSA-N 413.605 6.734 0 1 HKAF CC(C)=CC[C@@H]1Cc2c(cc(O)c3c2O[C@@H](c2c(O)cccc2O)CC3=O)OC1(C)C 15212614 VFMQTYFXQGAJKJ-SPLOXXLWSA-N 424.493 5.196 0 1 HKAF biogenic CN(C)CCNCc1ccc2c(-c3ccccc3)nc3cc(Cl)c(Cl)cc3n12 19365753 DEKZGQFBQFDOJE-UHFFFAOYSA-N 413.352 5.113 0 1 HKAF CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2F)[C@@H]1c1cccs1 20904264 PIVMIEGGUYSRNL-VXKWHMMOSA-N 422.525 5.463 0 1 HKAF O=C(NCc1ccccc1)c1ccc(O)c2[nH]c(-c3ccc(Cl)cc3Cl)nc12 28950430 RNFTUEXFTPYNGF-UHFFFAOYSA-N 412.276 5.172 0 1 HKAF COc1ccc(-c2nc3sc(C(F)(F)F)nn3c2-c2ccc(OC)cc2)cc1 28975725 STQVGSJVMKKBLM-UHFFFAOYSA-N 405.401 5.161 0 1 HKAF CCC/C=C/C=C/C(=O)O[C@@H]1C[C@H]2[C@@H](CCCC[C@H](O)CCC)CCC[C@H]2N[C@@H]1C 32297201 RLTXIRPCJHXWEP-WHZAVNHLSA-N 419.650 5.699 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 36188574 QASMLJURBZXYNW-POGLOZAFSA-N 401.679 6.928 0 1 HKAF Clc1ccc([C@H]2CC3(N4CCCC4)CCNC2[C@@H](c2ccc(Cl)cc2)C3)cc1 40762681 PDEIXHJAKUQXOA-SSPWFOHLSA-N 415.408 5.851 0 1 HKAF CSc1ccc(Cc2nnc3sc(-c4cc(Cl)ccc4Cl)nn23)cc1 40949895 ABBFVKRQWDGODL-UHFFFAOYSA-N 407.351 5.472 0 1 HKAF Cc1cccc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2-c2nc3ccccc3s2)c1 82173397 PIOUOJBMHRVRGN-ROUUACIJSA-N 414.578 6.211 0 1 HKAF CCCCCc1nc(-c2cnc(N3CCC(C)CC3)nc2-c2ccccc2F)oc1C 82175817 SXTAQZZTVGONPD-UHFFFAOYSA-N 422.548 6.215 0 1 HKAF C[C@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2ccc(F)cc2Cl)nn1 84652277 WHLPUYVQMUBDER-CYBMUJFWSA-N 407.901 6.715 0 1 HKAF COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2)c1 95580011 AOQWRXDLJQSDOY-QHCPKHFHSA-N 420.480 6.049 0 1 HKAF COc1cccc(F)c1Oc1ccc(-c2nc(C3CCC3)n3ccnc(N)c23)cc1 96168117 FKPOFCIMTPSOFG-UHFFFAOYSA-N 404.445 5.186 0 1 HKAF COC(=O)CCCCCCCO[C@@H](Cn1cncn1)c1ccc(-c2ccccc2)cc1 103273017 YLBRUWYAEBBQNX-DEOSSOPVSA-N 421.541 5.217 0 1 HKAF COc1ccc([C@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)c(OC)c1 104040514 VCWIKNXXUDJAIN-XMMPIXPASA-N 406.526 6.192 0 1 HKAF O=C(O)c1cccc2c1oc1c(C(=O)O)ccc(Nc3cccc(C(F)(F)F)c3)c12 137367318 GDDBSPUMQGJRDO-UHFFFAOYSA-N 415.323 5.745 0 1 HKAF Cn1nc(-c2ccccc2)cc1-c1ccc(C(=O)Nc2ncc(Cl)cc2F)s1 142663136 GPWAAAYMQAUUQB-UHFFFAOYSA-N 412.877 5.255 0 1 HKAF CCc1ccc(Nc2nc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3o2)cc1 199081246 WBJJAJMGYLQGHH-UHFFFAOYSA-N 413.521 6.684 0 1 HKAF Fc1c(Cl)cccc1Nc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1 203003770 GUYBCVOYKZSHHI-UHFFFAOYSA-N 423.677 5.119 0 1 HKAF C/C(=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@@H]4[C@H]3CC[C@@]21C)[C@@H](C)C(C)C 255280422 XHBUOPUSZGNMDC-LIXITAEZSA-N 400.691 7.491 0 1 HKAF COc1cc(Nc2nc(C3C4CC5CC(C4)CC3C5)cs2)cc(OC)c1OC 299822029 NGXRIYZVMDZROR-UHFFFAOYSA-N 400.544 5.452 0 1 HKAF CCCOc1cc2nc([C@@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2cc1Br 586892949 YLEIOKOROYXJBM-YJYMSZOUSA-N 403.320 5.260 0 1 HKAF O=Cc1cc(Br)cc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 586982678 OERNOUGIHUMRBZ-UHFFFAOYSA-N 405.251 5.036 0 1 HKAF Cc1ccc2c3c(c(CCNC(=O)OCc4ccccc4)cnc13)-c1ccccc1C2=O 586995906 KLDFSSGWSJXKBS-UHFFFAOYSA-N 422.484 5.224 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cnc3ccccc3c2[nH]1 587034355 HTBOLNFWANAPQZ-QGZVFWFLSA-N 400.507 5.597 0 1 HKAF COc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c(Cl)c2)c1 587051437 COSRLHHUJATDCM-UHFFFAOYSA-N 402.803 6.578 0 1 HKAF COc1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2cc1OC 587060476 NFZRQPNHGKBHTM-UHFFFAOYSA-N 415.880 6.116 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(O)nc(S)nc2[nH]1 587069909 FYGXWUUNHIPLIP-GZXATSTBSA-N 407.326 5.020 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c(Cl)c2)cc1F 587145137 IUFMWBIJOBJGCB-UHFFFAOYSA-N 408.757 6.554 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c(Cl)c2)cc1F 587145564 MNFYUARKGKEVBC-UHFFFAOYSA-N 422.784 7.156 0 1 HKAF COc1ccc(-c2ccc(-c3nc4ccc(Br)nc4[nH]3)c(F)c2)c(F)c1 587149880 VLPCOPSXYBHVTO-UHFFFAOYSA-N 416.225 5.341 0 1 HKAF COc1cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1OC 587159962 ZOEQWHNSXMGWGR-OAQYLSRUSA-N 412.848 5.541 0 1 HKAF CC(C)[C@@H](c1nc2c(Cl)cnc(Cl)c2[nH]1)N(C)C(=O)OCc1ccccc1 587197251 BQZGNQCDPJPIKY-INIZCTEOSA-N 407.301 5.230 0 1 HKAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cccc(C(F)(F)F)c2[nH]1 587198426 JVPXTWLVXQWOGS-UHFFFAOYSA-N 410.399 5.108 0 1 HKAF Clc1ccc([C@@H]2Cc3c(nc4cccc5c4c3CC5)-c3ccccc32)cc1Cl 587209269 MKOPQYQUMOSCGJ-IBGZPJMESA-N 402.324 6.995 0 1 HKAF C[C@]1(c2c[nH]c3cc(F)ccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332093 IQIONNQGKOTYPB-LADGPHEKSA-N 405.400 5.426 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccnc2)[C@H]1c1ccc(F)cc1 587337201 LWKCPWGXMYPCGW-AHWVRZQESA-N 411.432 5.229 0 1 HKAF CC1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(O)ccc2O1 587348521 CZNNGMMHZNFZIZ-DHLKQENFSA-N 420.436 5.052 0 1 HKAF COc1ccccc1C[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353132 QNKYJKOURNEAEX-AOYPEHQESA-N 420.480 5.536 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CC[C@@H](Cc3ccccc3)C2)[C@H]1c1ccc(F)cc1 587353797 OZPYFSKKHJLIFY-SQOVJYTMSA-N 402.465 5.672 0 1 HKAF COc1cccc(-c2cc(C3C(=O)CC(C)(C)CC3=O)nc3c2oc2ccccc23)c1 587367794 WBNNWMRXZDHVEL-UHFFFAOYSA-N 413.473 5.698 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](C2)C3=O 587422818 UWHPAAUDOHAURS-KBXCAEBGSA-N 416.317 5.396 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)c3ccccc13)CC2=O 587458520 KIYYTAHOPBPQAZ-OAQYLSRUSA-N 411.295 5.967 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(=O)O)cc3F)cc1)CC2=O 587468018 WEERMEIEPQPJOE-HSZRJFAPSA-N 420.436 5.556 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCc3cc4c(cc31)-c1ccccc1CC4)CC2=O 587477427 CFAJCRHUOJILGT-GDLZYMKVSA-N 424.540 6.307 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)c(C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587504552 WZIHBYOGBJMQSC-QFIPXVFZSA-N 406.913 5.728 0 1 HKAF O=C1C[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)Oc2c1ccc1c2CCCC1 587509745 WXXWBNAYSZYXPK-JOCHJYFZSA-N 413.300 6.839 0 1 HKAF CC(C)(Oc1ccc2c(c1)CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O 587526761 ZXRLDKJAVFKMCQ-AREMUKBSSA-N 420.505 5.004 0 1 HKAF COc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 587527536 WJLDEQQTLXEAFC-SANMLTNESA-N 400.474 5.189 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)c(O)c1Cl 587541923 GSXVBEHPCWPAEC-YWZLYKJASA-N 403.217 5.108 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1SC(F)(F)F 587552991 CUCICFFTBROBOV-FXAWDEMLSA-N 418.392 5.707 0 1 HKAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1-c1ccccc1 587595764 SLLNMMAFANCVEW-RPLLCQBOSA-N 424.452 5.771 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 587603888 SCHYZUVHWQUYIT-SQHAQQRYSA-N 408.453 6.071 0 1 HKAF O=C(c1c(-c2cccc(OC(F)F)c2)[nH]c2ccc(F)c(Cl)c12)C(F)(F)F 587628763 PEVJFJUUONYSLR-UHFFFAOYSA-N 407.697 5.974 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3ccc(Cl)cc3)c2)N1 587693404 DPGZDKHCFMAHCJ-WYRIXSBYSA-N 420.713 5.051 0 1 HKAF COc1ccc(C(F)(F)F)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587712302 OHQSEIGQEDMIJU-XLFHBGCDSA-N 418.228 5.239 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)c(F)cc2Cl)N1 587722297 XXQFUTOMDXJFNS-WNWIJWBNSA-N 404.657 5.318 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3cccc(F)c3)s2)N1 587728437 DZDQGNIMRMDFIU-MLCYQJTMSA-N 421.310 5.474 0 1 HKAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 587783079 WBMBMMBQUZBXHD-UHFFFAOYSA-N 400.356 5.413 0 1 HKAF CC[C@H](OC)c1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587789263 BXKGFGVPQLBYSG-ZEWGMFERSA-N 406.339 5.483 0 1 HKAF CC[C@H](C)Oc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587798286 ZQAGFLBJKZJTTD-OYMPBJRDSA-N 422.338 5.398 0 1 HKAF CC(C)=CCC/C(C)=C/CC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812861 LOXSYHVYUUDJDK-NJQVJVQRSA-N 408.399 6.811 0 1 HKAF CCCCCC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587813182 MWNZKTIEIDJVBW-OPAMFIHVSA-N 404.367 6.336 0 1 HKAF CC(C)c1ccc2c(c1)[C@]1(CCCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587836074 RLAFJTREDLNXHS-JLCFBVMHSA-N 418.350 5.662 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccs3)s2)N1 587848276 NDWWCLMCWOBODA-MLCYQJTMSA-N 408.361 6.002 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccsc2)N1 587851523 CGBWHMBZOZXNKH-FKIZINRSSA-N 402.332 5.940 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3cccs3)cc2)N1 587852461 LEURZVGPKZLRNO-LRTDBIEQSA-N 416.359 6.114 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccc(Cl)cc1C 587871361 UVGUJZXRODHCIM-AWEZNQCLSA-N 402.853 5.157 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(C)nc2sc3c(c12)CCCC3 587873215 WCEXAHHRBWDZIV-UHFFFAOYSA-N 408.502 5.269 0 1 HKAF Cc1c(F)ccc2c1[C@](CCCCCCC(=O)O)(c1ccc(Cl)cc1F)NCC2 962294286 BLOKBFPBHFBCIS-QHCPKHFHSA-N 421.915 5.741 0 1 HKAF Cc1cc2c(cc1F)[C@@](c1ccccc1)(c1ccc(Br)cc1F)NCC2 962303849 XFFFQGRBDFFBJT-JOCHJYFZSA-N 414.293 5.473 0 1 HKAF C[C@@]1(C(=O)c2ccc(C(F)(F)F)cc2)c2ccsc2CCN1Cc1cccnc1 962994567 DQLUOKMFNSVEBH-NRFANRHFSA-N 416.468 5.318 0 1 HKAF Cc1ccc([C@@]2(c3cccc(CN4CCC4)c3)NCCc3c2sc(C)c3C)cc1 963014254 UPDIHFZOZSLYEE-SANMLTNESA-N 402.607 5.317 0 1 HKAF Cc1ccc(C)c([C@@]2(CCc3ccccc3C)c3c(F)cccc3C[C@@H]3CCCN32)c1 963108261 OPBAMKHIUAZSFC-SVEHJYQDSA-N 413.580 6.648 0 1 HKAF CCOC(=O)CC[C@]1(c2cc(C)c(C)cc2C)c2c(F)cccc2C[C@@H]2CCCN21 963113562 RSEBLGDTFLNKNQ-LVXARBLLSA-N 409.545 5.358 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccccc1OCc1cnc(Cl)s1 963235550 WYBQZRRMAJMKDB-KSFYIVLOSA-N 412.986 6.122 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCCCC(=O)O)c1ccc(C(C)C)cc1 963256549 DPAZPDKGZKDIKI-IDISGSTGSA-N 407.598 6.355 0 1 HKAF O=C(O)COc1ccc2ccn(CCCOc3ccc(Oc4ccccc4)cc3)c2c1 1772623805 YTIREQGJPWYZLM-UHFFFAOYSA-N 417.461 5.366 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](NC(=O)C5CC5)CC[C@@]43C)C1=CC=C2n1ccnc1 1772649247 FXNKENQIKAPLLL-FNLDOCMJSA-N 403.570 5.112 0 1 HKAF Oc1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)nc3c2Cc2c(O)cccc2-3)cc1 1857557835 QVWDBMPZQPXQIZ-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF Cc1cccc(C)c1-c1cccc(COc2ccc(N3C(=O)CC[C@@H]3C(=O)O)cc2)c1 1857768783 BVOWZMOLEIEMNW-HSZRJFAPSA-N 415.489 5.129 0 1 HKAF CO[C@H](C=CCCCCCCC=C(Br)Br)[C@H]1CCCO1 2356552412 PEUQTGHGULKWLT-HUUCEWRRSA-N 410.190 5.708 0 1 HKAF COc1ccc(C[C@H](N)c2csc(NC(=O)Nc3ccc(C(C)C)cc3)n2)cc1 61907597 YQXKYDVAZXRPJD-IBGZPJMESA-N 410.543 5.162 0 3 HKAF CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC2CCCCC2)cc1 773369 IUALTDYZUSFITQ-UHFFFAOYSA-N 408.473 5.609 0 1 HKAF COc1ccc(-c2noc(-c3ccc(Cl)cc3F)c2C(=O)N[C@H](C)C(C)C)cc1 2480856 HTVVCACRAUJNHS-CYBMUJFWSA-N 416.880 5.584 0 1 HKAF Cn1c(COc2ccc(Cl)cc2Cl)c(CN2CCCCC2)c2ccccc21 13766327 CBTXBKZASCULII-UHFFFAOYSA-N 403.353 6.050 0 1 HKAF Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4cccc5ccccc45)c3)cc12 14957850 OVRDDZHIRBTAAC-QFIPXVFZSA-N 408.505 5.035 0 1 HKAF CC(C)(C[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1 28525396 LKQJUECNABLWPW-FQEVSTJZSA-N 413.517 5.522 0 1 HKAF Oc1ccc(OCc2ccc3ccccc3n2)cc1[C@@]1(c2ccccc2)C[C@H]2CC[C@@H]1C2 29040782 ZKLNDDMIESNWFZ-YOLRXJNRSA-N 421.540 6.626 0 1 HKAF COc1c(COc2ccc(NC(C)=O)cc2)c(C(F)(F)F)c(OC)c2ccccc12 29135635 SMQZBJMKEAAIAK-UHFFFAOYSA-N 419.399 5.413 0 1 HKAF CC(=O)N1CCC[C@H](Nc2ccccc2Oc2ccc(Cl)cc2)c2ccccc21 34807538 AZCNVZBFSGUDLV-NRFANRHFSA-N 406.913 6.432 0 1 HKAF O=C(O)CC/C=C\C[C@@H]1CO[C@H](c2ccc(Cl)cc2Cl)O[C@H]1c1cccnc1 36242622 XDZGJTGQHCYFCC-GPRBEPSASA-N 422.308 5.602 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 40165458 DDJMOMHMVFXEQF-PPPSAVNNSA-N 400.691 7.923 0 1 HKAF endogenous,in-man C[C@@H]1CN(Cc2cccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)c2)C[C@@H](C)O1 45302507 CQGXTFIMCBLOMJ-QZTJIDSGSA-N 415.512 5.645 0 1 HKAF O=C(O)C1=Cc2cc(Cl)c(OCC3CCCC3)c(Cl)c2O[C@H]1C(F)(F)F 66259135 AOXONZFWDHPDFF-OAHLLOKOSA-N 411.203 5.354 0 1 HKAF CN1[C@H]2CC[C@@H]1[C@@H](CNc1ccc(Br)nc1)[C@@H](c1ccc(Cl)cc1)C2 73159194 CSQWTWVZSNGFRN-ZSYWTGECSA-N 420.782 5.176 0 1 HKAF Cc1cccc(-c2nc(NCc3ccc(C(C)(C)C)cc3)ncc2-c2ncc(C)o2)c1 82173128 NHZFCMMVEWRUEE-UHFFFAOYSA-N 412.537 6.325 0 1 HKAF CCCc1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1C[C@H](C)CC 82189411 QIMWMSXJBKCAOC-CQSZACIVSA-N 420.388 5.786 0 1 HKAF O=C(O)Cc1ccc(N(Cc2ccccc2)Cc2ccc(Oc3ccccc3)cc2)cc1 84732060 WYJPFZREOPVNMP-UHFFFAOYSA-N 423.512 6.313 0 1 HKAF O=C(CCCc1ccc2cccnc2n1)NCc1nc(-c2cccc(Cl)c2)cs1 95572434 AZBVGGJDBOFQAC-UHFFFAOYSA-N 422.941 5.046 0 1 HKAF N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc2c(c1)CCCC2)C(=O)O 95582949 XDHCXBRJKTWUNW-DEOSSOPVSA-N 417.574 5.002 0 1 HKAF COc1ccc(-n2c(SCc3ccccc3)nc3c4ccccc4nc-3c2O)cc1 100705441 DYEXCDLEVFSHSI-UHFFFAOYSA-N 413.502 5.532 0 1 HKAF Cc1cnc(Nc2ccc(-c3cccc(OC(F)(F)F)c3)cc2F)c(C(=O)O)c1 103277351 JFCFSEXFWVNSCF-UHFFFAOYSA-N 406.335 5.537 0 1 HKAF COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(O)=C2[C@H]1c1ccc(F)cc1 104702516 WOOGRBNTXIYGMU-QFIPXVFZSA-N 406.457 5.281 0 1 HKAF C[C@H]1CC[C@@H]([C@@H](C)[C@H]2[C@@H](O)C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)NC1 135684451 PNCADIYJKRZFGU-OFMODGJOSA-N 417.678 5.001 0 1 HKAF Cc1ccc(S(=O)(=O)c2cnc3cc(Cl)ccc3c2N2CCC(C)CC2)cc1 144110479 ZDMWJOUNIJROFI-UHFFFAOYSA-N 414.958 5.266 0 1 HKAF C=Cc1cc2c(cc1OC)[C@@H](c1ccccc1)N[C@](CC)(CCCC)CS2(=O)=O 147751891 UULJKKGMHQPNOS-DNQXCXABSA-N 413.583 5.144 0 1 HKAF COc1cc(CNc2ccc(-c3c(-c4ccncc4)cnn3C)cc2)nc2ccccc12 169326621 XKUCJEMFMBBLND-UHFFFAOYSA-N 421.504 5.318 0 1 HKAF Fc1cccc(CNc2cccc(-c3cc(NC4CCCCC4)ncc3Cl)n2)c1 169703741 FPLCTKFXLONEEC-UHFFFAOYSA-N 410.924 6.293 0 1 HKAF CC(C)=CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 169711164 AYQGEWALVNGKIC-GRGXKFILSA-N 408.586 5.644 0 1 HKAF COc1cc(-c2noc3c2CCC[C@@H]3Oc2ccc(F)cc2)ccc1-n1cnc(C)c1 205501366 SOHMFVZPAJCQAH-NRFANRHFSA-N 419.456 5.440 0 1 HKAF COc1c(C#N)ccc2[nH]c(-c3cn4c(n3)[C@@H](c3ccc(F)cc3C)CCC4)cc12 221801415 UWBHYFPDKTVLBC-GOSISDBHSA-N 400.457 5.285 0 1 HKAF CCC/C=C/C[C@@H]1C/C=C/C=C(C)/C=C/C=C/[C@H](O)[C@@H](O)/C=C(C)/C=C/C=C/C(=O)N1 255194322 ALYLZDHKQZUVDF-DFBVVMEGSA-N 423.597 5.017 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 256368967 AWYDNKRGSOPYQB-VKTVHRNRSA-N 400.691 7.779 0 1 HKAF endogenous,in-man CCN(CC)CCOc1ccc(/C=C/c2ccc(-c3ccc(OC)cc3)cn2)cc1 473096730 ZPYNNJSNTDIBRF-WUXMJOGZSA-N 402.538 5.648 0 1 HKAF Cc1ccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCCO5)o3)cc2)nc1 473154835 MEJZHMPLGKQBGG-UHFFFAOYSA-N 417.490 5.171 0 1 HKAF CC(C)(C)c1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)c(Cl)c2)o1 473158147 VIJXPVHZPCETRP-UHFFFAOYSA-N 422.868 5.283 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(C4CCCCC4)cc3)nc3ccc(O)c1c23 586991587 POWUZTWJYMJDDB-UHFFFAOYSA-N 405.497 6.867 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c(-c3ccnc(Br)c3Cl)nc2c1 587005570 KVTKZRGOAMAUCA-UHFFFAOYSA-N 411.008 5.713 0 1 HKAF Fc1cc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2cc1Br 587017482 LWNXYLMABYNQRP-UHFFFAOYSA-N 409.671 5.303 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]1CN(Cc2ccccc2)C[C@H]31 587106079 LKKXBDYIAOJHDR-XXBNENTESA-N 416.524 5.608 0 1 HKAF FC(F)(F)Oc1cccc(CSCc2nc3cc(Cl)c(Cl)cc3[nH]2)c1 587126486 XQNHVYRPXMBWOP-UHFFFAOYSA-N 407.244 6.202 0 1 HKAF Cc1cc(Br)c(-c2nc3cc(Br)cc(F)c3[nH]2)cc1F 587137671 FJSDJRWZSBFIFC-UHFFFAOYSA-N 402.036 5.342 0 1 HKAF Cc1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145458 XHAKMRKYTDNPQZ-UHFFFAOYSA-N 415.251 6.349 0 1 HKAF CCCCC[C@]1(c2cn(C)nc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343675 URHZIIKKJWDAAI-ILBGXUMGSA-N 422.500 5.408 0 1 HKAF COc1cccc(-c2cc(-c3c[nH]c4ncc(C)cc34)nc3c2oc2ccccc23)c1 587363686 SLEZLSIBLAODOQ-UHFFFAOYSA-N 405.457 6.508 0 1 HKAF COc1cccc(-c2cc(-c3ccsc3C(=O)O)nc3c2oc2ccccc23)c1 587365192 JTFXVPDWNWUQDH-UHFFFAOYSA-N 401.443 6.083 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(Cl)ccc1NC)CC2=O 587459945 FFOMGRHRUBOBGD-VWLOTQADSA-N 421.924 5.949 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)cc1OC(F)(F)F)CC2=O 587464282 NCLAUYLXIRJFJC-INIZCTEOSA-N 400.780 5.603 0 1 HKAF CN(C)/C=C\[C@@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587505808 LRXRGHYKOJXPDA-DGVDTQEHSA-N 416.348 5.808 0 1 HKAF C[C@@H](C(=O)O)n1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587516640 ULEOMFDNTKCALO-MQNRADLISA-N 403.478 5.046 0 1 HKAF C[C@@H]1CCCCN1CCOc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587517521 OYCUWKFDHVNVMW-NIYFSFCBSA-N 419.565 5.525 0 1 HKAF Cc1ccc(-n2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c(C)c1 587577299 NACATASUWUMHFS-JYFHCDHNSA-N 411.457 5.503 0 1 HKAF CCCCC[C@H](C)CNC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660444 FQUNRPXKHMSLLF-INIZCTEOSA-N 411.546 5.142 0 1 HKAF CCCCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587713278 BXJPEQRFCXVEMY-MPBGBICISA-N 410.302 5.530 0 1 HKAF Cc1cc(OC(F)(F)F)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587718537 IOOIOZUGWTWYMW-QGHHPUGFSA-N 418.228 5.419 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(F)cc2Cl)N1 587728987 UMIOPJMPYXZMJB-MLCYQJTMSA-N 400.694 5.373 0 1 HKAF Cc1ccc(C)c([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587738997 FLJQATQEMPGLPW-PBTPNVJISA-N 417.366 5.058 0 1 HKAF CCn1nc(CC[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587761624 BHVTWZNHFXTHPW-DJJJIMSYSA-N 416.338 5.166 0 1 HKAF CCOc1cc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)C 587801127 ITTLORQWNPXQCM-FPTDNZKUSA-N 420.366 6.042 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OC2CCCC2)N1 587810319 KQWUSPZANQEWBS-ZSEKCTLFSA-N 404.323 5.533 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2ccccc2)(c2ccccc2)N1 587816084 TYDUKZIDIPXECN-IQMFZBJNSA-N 424.313 5.249 0 1 HKAF Cc1ccc([C@@]2(C3CCCCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587821213 TYPOZPHXHHNVSJ-WAIKUNEKSA-N 416.378 6.255 0 1 HKAF Fc1ccc([C@H](CCn2c(-c3ccccc3)ccc2-c2ccccc2)c2ccco2)cc1 587946011 RHPIYQJLMFTQNH-SANMLTNESA-N 421.515 7.776 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(C)nc2[nH]1 587958359 FLZSWGMTODAEAR-UKFPHXRLSA-N 417.641 8.121 0 1 HKAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CC3CCCCCC3)[nH]c2c1 587961776 WXSVYDGCOOVIBW-UHFFFAOYSA-N 417.962 5.530 0 1 HKAF COc1ccc2c(c1)[C@@](C)(c1ccc3noc(-c4ccccc4)c3c1)N(C(C)C)CC2 962094694 WVGSYAICXVHASC-HHHXNRCGSA-N 412.533 6.033 0 1 HKAF CCc1ccc(-c2ccc([C@@H]3c4ccsc4CCN3Cc3cccn3C)o2)cc1 962396376 GKPXFWVUBZPAII-VWLOTQADSA-N 402.563 6.057 0 1 HKAF Cc1ccc([C@]2(c3ccc(F)cc3)c3cccc(F)c3CCN2[C@H]2CCSC2)nc1 962701835 LRFGJZMUVPIBIB-CPJSRVTESA-N 422.544 5.324 0 1 HKAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](CC[C@H]2C[C@H]3CC[C@H]2C3)N1 963184185 QRZYFGYWZDCBNQ-YMKFXDTLSA-N 401.856 5.215 0 1 HKAF Cc1cc(-c2nc(-c3ccc(Cl)c(C(F)F)c3)n3c2CCO[C@H](C)C3)cc(C)n1 1772654946 NIPQASLLMQUANY-CQSZACIVSA-N 417.887 5.781 0 1 HKAF Cc1ccc([C@@H]2c3ccsc3CCN2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 1857567464 UASRQNQGPSMRKH-HXUWFJFHSA-N 417.361 6.543 0 1 HKAF CCC1CCC(c2nc3ccccc3n2CCC(=O)N(CC)C2CCCCC2)CC1 1857609957 NKVOOLWBSLFOPB-UHFFFAOYSA-N 409.618 6.291 0 1 HKAF COc1ccc(C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2c2cccc(Cl)c2)cc1 1857611212 VTHHNXQVCOMVAW-DEOSSOPVSA-N 416.908 5.618 0 1 HKAF CCCCC[C@@H]1C[C@@H]2[C@H](NC)CC[C@]34[C@H](C[C@@]23C1)[C@@]1(O)CCC[C@](C)(C[C@H]4O)C1 2356425840 TZHRSSAYNMUCJN-JVZXMRAJSA-N 403.651 5.043 0 1 HKAF C=CC(C)=CC[C@@H]1C(C(=O)N[C@H](C)c2ccccc2)=CC[C@H]2C(C)(C)CCC[C@]12C 2356498921 MSTFSWXMCDISCF-DAHKTCFSSA-N 405.626 7.165 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)ccc2c1OC[C@@H]1c3cc4c(cc3O[C@@H]21)OCO4 2356752725 MNVKKIZBXXYHDP-IBVKSMDESA-N 420.505 5.966 0 1 HKAF O=C(OCc1ccccc1)N1CC[C@H]2C[C@H]1c1cc(-c3ccc4c(c3)OCO4)ccc12 102814076 DLVOOBPECZYQPY-REWPJTCUSA-N 413.473 5.653 0 3 HKAF O=C(c1ccccc1)c1ccc(OCCOc2ccc(Nc3ccccc3)cc2)cc1 1629471 GOQMAVNCFPLIOZ-UHFFFAOYSA-N 409.485 6.119 0 1 HKAF C[C@@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1)c1ccc(F)cc1 4075980 HLLLJGNVRALAQE-XFPJRNFQSA-N 412.848 5.041 0 1 HKAF CC(C)=CCC/C(C)=C\CC/C(C)=C/CCC(=O)OC/C=C(\C)CCC=C(C)C 11616358 ZPACYDRSPFRDHO-HZFAVMBESA-N 400.647 8.422 0 1 HKAF investigational Nc1sc(-c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)c1ccc(Cl)cc1 13518367 WPKPCBVGTUYHRL-UHFFFAOYSA-N 424.352 7.202 0 1 HKAF CC(/C=C/C1=C(c2cc(C(C)C)cc(C(C)C)c2OCCCF)CCC1)=C\C(=O)O 13527149 HCXVTFDYDVOCPY-XJZNFUNPSA-N 414.561 7.196 0 1 HKAF Cc1ccc(N(C(=O)Nc2ccccc2)[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c(C)c1 13652450 DNCWQCPKPXRZQQ-SFHVURJKSA-N 412.493 5.340 0 1 HKAF CCC[n+]1c(CC)c(C(=O)SCC)c(CC)c(C(=O)OCC)c1-c1ccccc1 13801275 UETMOJCSVOLHSA-UHFFFAOYSA-N 414.591 5.246 0 1 HKAF CC(C)=CCc1c(O)ccc(-c2coc3c(CC=C(C)C)c(O)cc(O)c3c2=O)c1O 14727593 VHWHNZUORPFYQI-UHFFFAOYSA-N 422.477 5.300 0 1 HKAF biogenic CC(C)[C@H](N)CN1[C@H]2CC[C@@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 22939576 FJEFLHYWSUMBKN-MBDJBHLASA-N 414.540 5.050 0 1 HKAF CCCCCN[C@H](c1ccc(OC)cc1)[C@H](NCCCCC)c1ccc(OC)cc1 27901846 SBSPVTRMYXNIFB-CLJLJLNGSA-N 412.618 6.046 0 1 HKAF COc1ccc(C2=C(c3ccc(OCCN(C)C)cc3)c3ccccc3OCC2)cc1 28460900 JOCZQNCKXDYSQG-UHFFFAOYSA-N 415.533 5.377 0 1 HKAF CN(C)CC[C@H](NC(=O)/C=C/c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 28653929 OACORGJUEPUCKC-LTMNZSFGSA-N 410.867 5.181 0 1 HKAF CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(-c2ncco2)c1 28890931 ZDPYRQHDVDJEMD-GOSISDBHSA-N 423.509 5.466 0 1 HKAF CCC(CC)COc1c(Cl)cc2c(c1Cl)O[C@@H](C(F)(F)F)C(C(=O)O)=C2 34024343 OBUDAKFQDWSDSX-OAHLLOKOSA-N 413.219 5.600 0 1 HKAF O=[S@@](CC(F)(F)F)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1 34077339 PLFPJJZBPGBELL-AREMUKBSSA-N 419.255 5.720 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 34801271 AEWWFKWBCCJQAS-VGXFKPFASA-N 414.634 5.237 0 1 HKAF CCc1nn(C2CCCC2)c2c1CCn1c(-c3ccc(C(F)(F)F)cc3)nnc1-2 35091000 NLEBNSLWMFVAAA-UHFFFAOYSA-N 401.436 5.061 0 1 HKAF C[C@@H](C(=O)OCCCc1ccccc1)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 40810822 CTGIXAGBIQLQDR-COPCDDAFSA-N 422.590 6.061 0 1 HKAF CN1CCC(COCc2cc(C(F)(F)F)cc(Cl)n2)(c2ccc(F)cc2)CC1 43178339 IWZSETOJTMHNIP-UHFFFAOYSA-N 416.846 5.073 0 1 HKAF Cn1ncc(Br)c1-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 45355531 MGQBRTUTEMOGLZ-UHFFFAOYSA-N 405.683 5.147 0 1 HKAF O=C(NC1CC1)[C@@H](C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2ccccc21 66258470 DTISPNQDEGGOEE-JOCHJYFZSA-N 407.945 5.757 0 1 HKAF Cc1ccccc1-c1ccc2nc(N)c(CCC(=O)N(C)C3CCCCC3)cc2c1 72178147 GIIJYEDQRPSYMU-UHFFFAOYSA-N 401.554 5.516 0 1 HKAF CCOc1ccccc1-c1nc(CN(Cc2ccccc2)[C@@H](C)c2ccccc2)co1 72182519 IAHSUFRZPUCYRX-NRFANRHFSA-N 412.533 6.504 0 1 HKAF CCOc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(C(F)(F)F)cn2)cc1 73168515 MHEZQXUHNPRCFQ-UHFFFAOYSA-N 417.387 5.134 0 1 HKAF Cn1ccc2ccc(Oc3c(Cl)cnn(Cc4cccc5ccccc45)c3=O)cc21 73369187 XOZAPQKMPBXEMJ-UHFFFAOYSA-N 415.880 5.382 0 1 HKAF CC(=O)N(C)c1cccc(-c2cc3c(Nc4cccc(C(C)C)c4)nccc3n2C)c1 82082688 OQNDTZVYQPBJKX-UHFFFAOYSA-N 412.537 6.090 0 1 HKAF COc1cc2nc(N3CCC(C)CC3)nc(NC[C@H](C)c3ccccc3)c2cc1OC 82125746 UECGAPZUFXQKPW-SFHVURJKSA-N 420.557 5.099 0 1 HKAF Cc1cccc(-c2nc(NC3CCCCC3)ncc2C(=O)N[C@H]2CCCC[C@@H]2C)c1 82145097 RUYYNHBFIUPQFO-AVRDEDQJSA-N 406.574 5.505 0 1 HKAF CCN(CC)C[C@H](O)COc1ccc2c(c1C(C)C)CC[C@H]1C(C)(C)CCC[C@]21C 82156647 YHRNRXTVQDMVBB-IUGBQFMMSA-N 415.662 5.922 0 1 HKAF CC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1cc(-c2cccc(F)c2)nc2ccc(OC)cc12 95583887 KKSVXJKOINWIEN-IMCRMFDQSA-N 420.528 5.203 0 1 HKAF BrC1=CC[C@@H]2C(=C1)[C@@H]1c3cc(Br)ccc3C[C@@H]2N2CCC[C@@H]12 100931760 IBQFOMGOINHVJA-FCLVOEFKSA-N 421.176 5.161 0 1 HKAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(C)s2)C2=C(O)CC(C)(C)CC2=N1 104083957 RUTHFYBQRWAUQY-VFNWGFHPSA-N 415.555 5.223 0 1 HKAF C[C@@H](NC(=O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118922333 NOVUBZJSKIJHDS-JBZGATTQSA-N 421.625 5.745 0 1 HKAF COc1cc(F)c([C@H]2CCCC(=O)N2Cc2ccc(OC(F)(F)F)cc2)c(F)c1 167025167 RRJYXCDXJRDYBZ-QGZVFWFLSA-N 415.358 5.126 0 1 HKAF O=C1Nc2ccccc2[C@@H](O)C1(Cc1ccccc1Cl)Cc1ccccc1Cl 169346091 GQBIVUKIWPCPJV-OAQYLSRUSA-N 412.316 5.451 0 1 HKAF O=C(O)C[C@H](NC(=O)c1cccc(-c2ccccc2Cl)n1)c1cccc(Cl)c1 203336823 XXDNGKZSQNJBDE-IBGZPJMESA-N 415.276 5.001 0 1 HKAF C/C=C(\C)C(=O)O[C@H]1C[C@H]2Cc3occ(C)c3C[C@]2(C)[C@@H](C)[C@@H]1OC(=O)/C(C)=C/C 238780645 VFXPFKHNRXPZTI-ZSMVZHNNSA-N 414.542 5.105 0 1 HKAF CC(C)N(CCOc1ccc([C@@H](c2cccs2)c2ccccc2F)cc1)C(C)C 299867149 XLMZZEJRSLHSRD-RUZDIDTESA-N 411.586 6.565 0 1 HKAF CCCCCc1ccc(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)cc1 586992028 SVIZLOCVRHYEQC-UHFFFAOYSA-N 407.513 6.860 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4c(Br)cncc4[nH]3)cc2)n1 587020010 BOZQRDDCPMPPST-UHFFFAOYSA-N 417.357 5.445 0 1 HKAF FC(F)(F)c1cc(Br)cc2nc(CSCc3ccsc3)[nH]c12 587026736 MKWUKZDXKPQCRU-UHFFFAOYSA-N 407.280 5.839 0 1 HKAF FC(F)(F)c1cc(Br)cc2nc([C@H]3SCCc4sccc43)[nH]c12 587036613 HOLSIFAARLDTCW-ZDUSSCGKSA-N 419.291 5.784 0 1 HKAF Cc1cc(F)c2nc(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)[nH]c2c1 587058863 KBVXRCYPGXNKKW-UHFFFAOYSA-N 419.891 5.741 0 1 HKAF Clc1ccc(CC/C(=C/c2nc3cnc4ccccc4c3[nH]2)c2ccccc2)cc1 587074573 ZLVUTKVFGWSMHH-SILNSSARSA-N 409.920 6.938 0 1 HKAF Nc1cc(-c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)ccc1F 587139365 HOWQILCIIAPPTD-UHFFFAOYSA-N 414.362 5.222 0 1 HKAF COC(=O)c1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1OC 587163896 NGMMYQMTPOAYIY-VBKFSLOCSA-N 408.454 5.148 0 1 HKAF Cc1cc(C)c(-c2nc3cccc4c3c(c2CCC(=O)O)-c2ccccc2C4=O)c(C)c1 587207865 YDYOUAUWESMWND-UHFFFAOYSA-N 421.496 6.056 0 1 HKAF CC(C)(C)OC(=O)N[C@H](c1nc2cc(Br)cc(F)c2[nH]1)C1CCCC1 587225067 JOWYOYDMFSTVCT-AWEZNQCLSA-N 412.303 5.221 0 1 HKAF Cc1cc(Cl)cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c12 587241119 ZPJIBOIUISIUFQ-WTBBCNCBSA-N 419.953 5.080 0 1 HKAF COC(=O)C1(c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C)CCC1 587362644 LQUWIDDEGZWDPC-UHFFFAOYSA-N 401.462 5.560 0 1 HKAF COC(=O)c1ccnc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1 587363895 QLMQOFSSVLMJAL-UHFFFAOYSA-N 410.429 5.505 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(c1ccccc1C)O2 587372799 RHATUXBOXZIGGR-QHCPKHFHSA-N 422.322 5.557 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(Br)cc3F)o1)O2 587381651 KTZSUNQNQLBXBS-IBGZPJMESA-N 416.246 5.445 0 1 HKAF CCOC(=O)c1[nH]c2ccc(CC)cc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587525464 MMFKJJKRNQZMQA-JOCHJYFZSA-N 417.505 5.492 0 1 HKAF Nc1nc2c(s1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C[C@H](c1ccccc1)C2 587537938 LZNLZZBDCHNHFY-CRICUBBOSA-N 416.546 5.195 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1OC(F)F 587558228 VQTLGTIEJOZUNB-XLIONFOSSA-N 418.779 5.350 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(SC2CCCC2)cc1 587614835 VFVVDUVKPHVVBX-RCZVLFRGSA-N 418.514 6.130 0 1 HKAF CCc1cccc(CC)c1NC(=O)c1c(-c2ccccc2)[nH]c2c(C)cc(Cl)cc12 587626171 DNODIQPEPDBLBP-UHFFFAOYSA-N 416.952 7.174 0 1 HKAF O=C(O)c1cccc2c(C(=O)C(F)(F)C(F)(F)F)c(-c3ccc(F)cc3)[nH]c12 587638114 UFGDEPHKCAJYNP-UHFFFAOYSA-N 401.262 5.053 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)c(N)c(Cl)c2)N1 587694147 OJHGDVORBNFCBZ-RBHXEPJQSA-N 418.137 5.275 0 1 HKAF CC[C@]1(c2ccccc2OC(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587713517 DLIGAPXBTZDUHL-JEOXALJRSA-N 414.265 5.377 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2OCC2CC2)N1 587731958 MHEQKDAPEAQJRM-GIPWTMENSA-N 408.286 5.140 0 1 HKAF Fc1cc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2cc1Br 587784313 PVTVWPWYJMHCGC-DHZHZOJOSA-N 423.285 6.214 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccc(-c3ccccc3)cc2)N1 587817463 CFGPTKYUYFSDAY-FYSMJZIKSA-N 424.357 6.463 0 1 HKAF COc1cc(O)cc(-c2cccc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2)c1 587931492 JUHFBNWGAVFKOZ-UHFFFAOYSA-N 420.778 5.025 0 1 HKAF Cc1cc(OC(C)(C)C)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O 587942219 WMWJADYQFKXQGB-UHFFFAOYSA-N 417.547 6.936 0 1 HKAF C/C(=C/c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C1CCCCC1 587966082 AGIYPPVOVMYPDE-YFHOEESVSA-N 403.242 6.208 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(C)Cc1ccc(O)cc1 961778370 CWDRZZIPDVEBPE-VWLOTQADSA-N 408.542 5.001 0 1 HKAF C[C@@]1(c2ccccc2Cc2ccccn2)c2cccc(F)c2CCN1[C@H]1CCSC1 962697979 IRTFFBSCTCTYNF-HFZDXXHNSA-N 418.581 5.439 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CC(=O)C[C@@H](c3ccc(C(C)C)cc3)C2)N1 962947603 CBIXNWKBRKXIQE-LGVUCKNBSA-N 400.566 5.948 0 1 HKAF Cc1cccc(C)c1[C@H]1CCC[C@]2(C1)c1ccsc1CCN2Cc1cccnc1 962997947 NCADZONGEGOQFA-NVQXNPDNSA-N 402.607 6.371 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@@]3(/C=C/c1ccc(O)cc1)c1ccccc1 963027951 AVHYADMZPLIQSB-XNWPQPEVSA-N 408.501 5.052 0 1 HKAF Cc1ccc(-c2ccc([C@@]3(C)N[C@H](C(=O)O)Cc4cc(C)c(O)cc43)cc2)c(Cl)c1 963506843 GDXDAXZZUMDCAT-WIOPSUGQSA-N 421.924 5.192 0 1 HKAF CC(C)[C@@H](C)[C@H](O)C[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1772644349 LWNXAKRKGITUJQ-HGHFQEAUSA-N 414.674 6.526 0 1 HKAF O=C(O)c1ccc(-n2nc(Oc3c(Cl)cccc3Cl)c3ccccc32)c(F)c1 1772654794 SVWMRFBEGOFZSM-UHFFFAOYSA-N 417.223 5.962 0 1 HKAF O=C1CSC2=Nc3c(sc4ccc(Cl)cc34)[C@@H](c3ccc4ccccc4c3)N12 1857593123 VPROVJRQLOASRW-HXUWFJFHSA-N 420.946 6.374 0 1 HKAF CC(C)[C@H]1COC(=O)N1c1cncc(N[C@@H](C)c2ccc(-c3cccc(F)c3)cc2)n1 1857646309 PRMMQZQOPIAEKU-HRAATJIYSA-N 420.488 5.437 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(O)=CC[C@]4(C)[C@H]3CC[C@]12C 2356515150 CPTCHGRDJMOIJZ-HGEJZMCISA-N 400.691 8.406 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356542664 ZMYWGDOERFHVLQ-CLPHPYAUSA-N 416.646 5.250 0 1 HKAF C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CCC5=C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 2356570336 DWCSNWXARWMZTG-SPZGTFFFSA-N 414.630 5.714 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)CCC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356641677 YLPQYQLAPDSRON-DMSILOSBSA-N 414.762 9.380 0 1 HKAF Cc1cc2c(c(O)c1Br)-c1ncoc1C(=O)[C@]1(C)CC[C@H](C(C)C)[C@H]21 2356802296 SBSHUVJNZWRMRR-QRVQBPJGSA-N 404.304 5.470 0 1 HKAF O=C(NCc1cccc(C(F)(F)F)c1)c1[nH]c(C(F)(F)F)nc1-c1ccccc1 72138637 YGGKUBQAXBLVLF-UHFFFAOYSA-N 413.321 5.044 0 3 HKAF CC(C)(C)c1csc(-c2cc3cc(OCc4ccccc4CC(=O)O)ccc3o2)n1 3788224 PSILZZNMGXTOOP-UHFFFAOYSA-N 421.518 6.060 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4521575 INBGSXNNRGWLJU-COOVLLJXSA-N 402.663 6.504 0 1 HKAF endogenous,in-man Clc1ccc(-c2c[nH]cc2[C@@H](c2ccc(-c3ccccc3)cc2)n2ccnc2)cc1 5974803 HWSJKRRNBGOLBM-AREMUKBSSA-N 409.920 6.836 0 1 HKAF CC[C@@H](C)Oc1c(C(=O)N[C@H]2CN3CCC2CC3)cc(Cl)cc1C1CCCCC1 13451299 SWXPKOBGSPXSSP-ZHRRBRCNSA-N 419.009 5.389 0 1 HKAF CCCCN1c2cc(C)nc3c(-c4ccc(Cl)cc4Cl)nn(c23)C[C@@H]1CC 13672707 CHHBUGYESNQUFF-HNNXBMFYSA-N 403.357 6.112 0 1 HKAF CCOC(=O)c1c(N(CC)Cc2ccccc2)nc2ccccc2c1-c1ccccc1 13862479 LSEIUEBWUJORCH-UHFFFAOYSA-N 410.517 6.105 0 1 HKAF CC(C)(C)c1cc(-c2cc(-c3cc(F)c(O)c(F)c3)[nH]n2)cc(C(C)(C)C)c1O 26653373 JOHFVOJBTLBEQU-UHFFFAOYSA-N 400.469 6.028 0 1 HKAF C[C@]12Cc3cn4c(nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12)nc1ccccc14 27204799 GIQHGRUKLUVHHK-LEGVPQJPSA-N 415.581 5.201 0 1 HKAF CCC(=O)N(c1ccccc1)[C@H]1CCN2C[C@@H](c3ccccc3)c3ccccc3[C@@H]2C1 27994342 ASBWZSLPLOXCAV-YGPDHOBYSA-N 410.561 5.781 0 1 HKAF CC[C@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(C4CCCCC4)oc3C)ccc21 28565219 VZZWXAKUDHTJLN-RBBKRZOGSA-N 411.542 5.793 0 1 HKAF Cc1ccc(NC(=O)CSc2nnc(C)n2-c2cccc3ccccc23)c(Cl)c1 35002860 NIBIIVXMODTAMJ-UHFFFAOYSA-N 422.941 5.422 0 1 HKAF O=C1OC2(CCC(c3nc4cc(-c5ccc(F)cc5)ccc4[nH]3)CC2)c2ccccc21 40423308 ZAQBYJHHGLITIO-UHFFFAOYSA-N 412.464 6.093 0 1 HKAF CC(C)=CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 40893750 JGBRCVYPUYKCSI-SVIVQIBPSA-N 416.646 5.250 0 1 HKAF CC[C@H](Cc1ccc(OCCN2CC=C(c3ccc(Cl)cc3)CC2)cc1)C(=O)O 40950460 ZMCMESSSPAZOTD-LJQANCHMSA-N 413.945 5.161 0 1 HKAF Cc1[nH]c(C)c(-c2ccc(Oc3cccc(Cl)c3)cc2)c(=O)c1Br 40979936 MSNGIDLSKDKKHY-UHFFFAOYSA-N 404.691 5.867 0 1 HKAF CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CCN(c2ccccc2)CC1 53092909 SEVHFLWDUVZRME-UHFFFAOYSA-N 406.530 5.407 0 1 HKAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccccc2)C1 82132949 FVFFXNXSPLFQOS-JSXRDJHFSA-N 420.601 5.277 0 1 HKAF CC[C@H](C)Nc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccccc2F)n1 82153190 XFOQPOKOBJGXKK-SFHVURJKSA-N 420.532 5.544 0 1 HKAF C[C@H](CNc1ncnc2c1nc(C1CCCCC1)n2C[C@@H]1CCCO1)c1ccccc1 82188285 NPXANKNPHOACGX-NQIIRXRSSA-N 419.573 5.269 0 1 HKAF O=C1C[C@H](c2ccccc2)C(=O)N[C@@H](c2ccccc2)C/C=C\C[C@@H](c2ccccc2)N1 95664104 GPBYDCUKLUJVJM-SGDABOFVSA-N 424.544 5.225 0 1 HKAF O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cnc3ccccc3c1)CC2 96173085 FAHIANPLXOTJJI-UHFFFAOYSA-N 424.548 5.125 0 1 HKAF Cc1ccc(S(=O)(=O)N[C@H]2CCCCCCCCCCC(=O)O[C@@H](C)CC2)cc1 103205103 IFXIUHSCMJJJJI-SFTDATJTSA-N 423.619 5.268 0 1 HKAF COc1ccc(-c2sc(N)c(C(=O)c3cccc(Cl)c3)c2CC(C)(C)C)cc1 103228509 SJPCSKKAKVIFAG-UHFFFAOYSA-N 413.970 6.479 0 1 HKAF COc1ccc(Oc2cc(NC[C@@H]3CC[C@@H]4C[C@@H]3C4(C)C)ncn2)c2ccccc12 104930708 ZNTNTKVQCJZOOE-QKLQHJQFSA-N 403.526 5.915 0 1 HKAF CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1cccnc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c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)CCC1 586877667 JSOKVJGSCWXCDY-UHFFFAOYSA-N 419.422 6.195 0 1 HKAF Cc1ccc2c(ccc3nc(COc4ccc5ccccc5c4Br)[nH]c32)n1 587002243 VNWWBZHIJKXBGJ-UHFFFAOYSA-N 418.294 5.914 0 1 HKAF C[C@H]1CCc2sc(-c3nc4c(C(F)(F)F)cc(Br)cc4[nH]3)cc2C1 587034144 PLNPXQMGPCCGJY-QMMMGPOBSA-N 415.278 6.198 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(OC)c(OC)cc2[nH]1 587034606 PWHXZEGOJUSWKU-CQSZACIVSA-N 409.511 5.066 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc3ncccc3c2[nH]1 587035714 YRRIPDWJBROMQI-SFHVURJKSA-N 400.507 5.597 0 1 HKAF Cc1c(Cl)ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587068979 CEAALXRXWKCDQS-GHXNOFRVSA-N 409.316 6.928 0 1 HKAF Cc1onc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1COc1ccc(Cl)cc1 587075284 FUEJQDONHVFNIJ-UHFFFAOYSA-N 419.771 5.080 0 1 HKAF Cc1onc(-c2nc3c(Br)cccc3[nH]2)c1COc1ccc(Cl)cc1 587076409 SDRKAPMYXWSKES-UHFFFAOYSA-N 418.678 5.521 0 1 HKAF CC(C)Oc1cc2nc(Cc3ccccc3C(F)(F)F)[nH]c2cc1Br 587096425 BCBQVWQQIYTKDN-UHFFFAOYSA-N 413.237 5.722 0 1 HKAF Cc1cc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2cc1Br 587167145 NSHPDOWMDHRJRQ-QGZVFWFLSA-N 417.282 5.142 0 1 HKAF Cn1c(O)cc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 587341218 IXLKFNHGTUCZAV-ZCYQVOJMSA-N 417.436 5.003 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-c1ccc(C(=O)O)c(Cl)c1)O2 587377250 VPSXFZGGLIJDLF-OAQYLSRUSA-N 407.853 5.302 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccc(C(F)(F)F)c3)s1)O2 587381776 LMXKVUBZLPDEJO-QGZVFWFLSA-N 403.425 6.031 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(Br)cc1F)CC2=O 587468677 YWQBEOCXBSVKTM-HXUWFJFHSA-N 407.279 5.213 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(OCC)cc1)CC2=O 587480907 PXLIMDJPRCZAMB-AREMUKBSSA-N 402.490 5.652 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC2(CCCCC2)Oc2cc(O)ccc21 587485791 JYZGRZKLMHBHHX-RUZDIDTESA-N 408.494 5.396 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc3ccc(SC)cc3nc1Cl)CC2=O 587494006 VRPZLCBOUCWVRD-FQEVSTJZSA-N 413.926 5.975 0 1 HKAF O=C1C[C@@]2(CCc3c(Br)cc(F)cc32)Oc2c1ccc1c2CCCC1 587510974 ZQASLCMWGRMYKN-OAQYLSRUSA-N 401.275 5.274 0 1 HKAF O=C(O)C[C@@H]1CCC[C@@H](c2ccccc2)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587529166 JYFKPJGBQMUJQV-NHZRIVAWSA-N 404.506 5.328 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(C(F)(F)F)ccc1F 587543304 BNKFOFNCCWBSOW-XLIONFOSSA-N 404.315 5.253 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccccc1Cl 587550220 VSPYDICPVITWEY-QPPBQGQZSA-N 417.848 5.539 0 1 HKAF C[C@]1(Cc2cc(Cl)cnc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553188 UERRBFTYSQOWFY-LAUBAEHRSA-N 416.260 5.057 0 1 HKAF C[C@H](C[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1cn(C)c2ccccc12 587580413 XRGOOVNEFJHNBX-VILGCMSXSA-N 413.473 5.408 0 1 HKAF COc1ccc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 587599262 DNXTWEHGHFLBFF-JYFHCDHNSA-N 412.441 5.431 0 1 HKAF CCCCOc1c(OC)cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599755 ZUEKOVCNFGZEMO-BWKNWUBXSA-N 420.461 5.283 0 1 HKAF COc1ccc(-c2[nH]c3cc(F)ccc3c2-c2cccc(F)c2)c(Br)c1 587634170 CRKJGVFTMXQTJG-UHFFFAOYSA-N 414.249 6.551 0 1 HKAF Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1Cl 587714235 DWAZUYQNZWOQES-MGNBDDOMSA-N 400.694 5.487 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(F)cc3F)o2)N1 587723691 BRNWQPWTSSDBEL-FVINQWEUSA-N 422.244 5.750 0 1 HKAF Cc1onc(-c2ccc(F)cc2)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587731567 HDKBODJNVFOFHX-FVINQWEUSA-N 419.269 5.314 0 1 HKAF COc1cccc(OCc2ccc(-c3nc4cc(Br)c(C)cc4[nH]3)cc2)c1 587780788 IQHFUOCFVLZHNR-UHFFFAOYSA-N 423.310 5.888 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C3CCCCC3)cc2)N1 587816354 WWOROQASMRBZME-IQMFZBJNSA-N 416.378 6.434 0 1 HKAF CCc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)oc2ccc(C)cc12 587830337 SMEUKSUKSXKBBW-MCMMXHMISA-N 416.334 6.003 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2sccc2Br)N1 587847418 XNQZOUMUOROMGT-VXJOIVPMSA-N 419.157 5.210 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nnc(Cl)c2ccccc12 587864402 FQKVCQALWGNWJB-UHFFFAOYSA-N 418.806 5.553 0 1 HKAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587927406 QGKOWXNMBGDKCZ-LLVKDONJSA-N 415.362 5.171 0 1 HKAF CC(C)(C)c1ccc(-c2cc(O)n(-c3cc(Cl)cc(Br)c3)c2O)cc1 587940353 KAJYODRNTCNGDE-UHFFFAOYSA-N 420.734 6.269 0 1 HKAF c1ccc(-c2cccc(Cc3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c2)cc1 587961750 PFCUJHNNLCUWTF-UHFFFAOYSA-N 417.537 7.097 0 1 HKAF COc1cc2c(cc1OC)[C@@H](c1cc(C)c(Br)c(C)c1)N(C)[C@@H](C)C2 962641397 SEJODRMKMSMQIV-LHSJRXKWSA-N 404.348 5.049 0 1 HKAF Cc1ccc([C@@]2(C3CCCC3)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1C 962976710 NZPPCIYXAIFOAD-AUSIDOKSSA-N 419.899 5.268 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 963244961 YSFIEFOPHCNXFX-OGAOOZNCSA-N 413.649 6.998 0 1 HKAF Cc1c(F)cc([C@@H]2c3cccc(Br)c3CCN2C)cc1Br 963288509 CMEXIEFHZJHVQG-QGZVFWFLSA-N 413.128 5.236 0 1 HKAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2Cc1ccccc1F 963842146 VCIMHJAVMNISDL-NQIIRXRSSA-N 413.489 5.054 0 1 HKAF c1ccc(Nc2ncnc3c2[C@H](c2ccccc2)c2ccc4ccccc4c2O3)cc1 1772582445 MLCCJAHWMNHQJS-HSZRJFAPSA-N 401.469 6.659 0 1 HKAF Cc1cc(-c2nc(-c3ccc(OC(C)C)c(C)c3)n3c2CCO[C@H](C)C3)cc(C)n1 1772586722 LCTKKJOLGDBCEA-LJQANCHMSA-N 405.542 5.286 0 1 HKAF S=C1Nc2c(sc3ccc(Cl)cc23)[C@@H](c2cccc(Br)c2)N1 1857563179 RUWXVNDAQOKADR-CYBMUJFWSA-N 409.761 5.707 0 1 HKAF Cc1ccc(-c2cc(-c3cc4cc(Br)ccc4o3)nc(S)n2)s1 1857589586 MPHASDYTCHQYQR-UHFFFAOYSA-N 403.326 5.978 0 1 HKAF OCc1ccc(Oc2ccc(N3CCC4(CC3)OCCc3sccc34)cc2)cc1 1857650538 HXLCKHHVKRVWFF-UHFFFAOYSA-N 407.535 5.101 0 1 HKAF C=CC(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(C(C)(C)C)cc3)cc2)cn1 1857746473 PAKQTWXBGSSCPQ-UHFFFAOYSA-N 414.509 5.815 0 1 HKAF Cc1cccc(-c2nn(CC(=O)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1 1911586675 WUMKPDVHXOBFHH-UHFFFAOYSA-N 419.488 5.107 0 1 HKAF CC(C)=CCCC(C)=C[C@@H](O)CC(C)=CCCC(C)=CCc1cc(O)cc(C)c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c1c(-c2ccccc2Cl)noc1-c1cccc2ccccc12 774673 WFCCUWGDGCTJDX-INIZCTEOSA-N 420.896 5.316 0 1 HKAF CC(C)[C@H](C)NC(=O)c1c(-c2ccccc2F)noc1-c1cccc2ccccc12 2482996 JPJNDBNVQIMETG-INIZCTEOSA-N 402.469 6.075 0 1 HKAF C[C@H]1CCC[C@@H](Nc2nc(-c3ccc(Br)cc3)nc3ccccc23)[C@@H]1C 5093382 LRICNPFRWRGABL-QMTMVMCOSA-N 410.359 6.296 0 1 HKAF COc1ccc(C2=NN(c3ccccc3)C(=O)[C@H]3CC=CC[C@H]23)cc1OC1CCCC1 26153727 CMEUONJHZIAWNP-VXKWHMMOSA-N 416.521 5.350 0 1 HKAF Clc1ccc([C@H](OC[C@@H]2CCCN2CCc2ccccc2)c2ccccc2)cc1 27195141 FWLUOMHGUIZGMY-IZZNHLLZSA-N 405.969 6.153 0 1 HKAF O=C(Cc1ccc(Cl)cc1)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1 28570076 NZJIVIZUFHVQRZ-LJQANCHMSA-N 415.345 5.975 0 1 HKAF Nc1nccn2c(C3CCC3)nc(-c3cccc(OCc4ccc(Cl)cc4)c3)c12 28885312 NBULNDKUWJZCDR-UHFFFAOYSA-N 404.901 5.478 0 1 HKAF Cc1cccc2c(=O)[nH]c(C3=C[C@@H](N4CCC(c5ccc(Cl)cc5)CC4)CC3)nc12 28954768 JYFRAWWHTLNOTA-NRFANRHFSA-N 419.956 5.310 0 1 HKAF c1ccc2cc(Cc3noc(-c4cn(CCN5CCCC5)c5ccccc45)n3)ccc2c1 34391166 QWWNFUGRXCEBQM-UHFFFAOYSA-N 422.532 5.531 0 1 HKAF CCOC(=O)c1c(-c2ccc(C)cc2)cc(-c2ccccc2)nc1N1CCCCC1 45496835 BTRPFZZQIYVMIY-UHFFFAOYSA-N 400.522 5.891 0 1 HKAF CCN(CC)c1ccc(CCCc2ccc(Nc3ccccc3C(=O)O)cc2)cc1 53174583 ZCMWBUITOPUMIQ-UHFFFAOYSA-N 402.538 6.150 0 1 HKAF COc1cccc(-c2ccc3nccc(Nc4ccc(N5CCN(C)CC5)cc4)c3c2)c1 58538301 MPYSFSAKGUFQCW-UHFFFAOYSA-N 424.548 5.406 0 1 HKAF CCn1c2ccccc2c2cc(CCCN3CCC4(C=Cc5ccccc54)CC3)ccc21 73224479 NSXNLISSDBXWQB-UHFFFAOYSA-N 420.600 6.808 0 1 HKAF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NC2CCCCC2)nc1-c1ccc(F)cc1 82136258 FTTCEAMHBGMJFQ-IIBYNOLFSA-N 410.537 5.336 0 1 HKAF CCCCNc1ncc(C(=O)NCc2ccccc2Cl)c(-c2ccc(F)cc2)n1 82140646 JSIUMFYMAUPSSH-UHFFFAOYSA-N 412.896 5.078 0 1 HKAF CCN(Cc1ccccc1)C(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc(F)cc1 82141381 VCOHFXJKEKXBBX-UHFFFAOYSA-N 420.532 5.037 0 1 HKAF COc1cc2cc(-c3cccc(-c4ccccc4)c3)[n+](C)c(C)c2c(OC)c1OC 95561875 ZTAGLNCVJZSAAM-UHFFFAOYSA-N 400.498 5.333 0 1 HKAF Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSC3CCCCC3)O2)cc1 95615503 RLHMSCJDXJYGRU-RBBKRZOGSA-N 421.006 5.347 0 1 HKAF COc1cc2c(c(OC)c1-c1c(O)cc(OC)c3c(OC)cccc13)C(C)=N[C@@H](C)C2 95909460 CLRLXEFRRVACNF-ZDUSSCGKSA-N 421.493 5.000 0 1 HKAF biogenic,in-vitro CCN(CC)C(=O)[C@H]1Sc2ccccc2-c2c1c1cc(Cl)ccc1n2CCF 96909217 QOWZZQODNBDIID-NRFANRHFSA-N 416.949 5.946 0 1 HKAF CN1C(=O)[C@](C)(c2ccccc2)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 96928717 NRDYDSNEKUWGBF-QHCPKHFHSA-N 424.422 5.304 0 1 HKAF Oc1ccc2c(c1)CCc1ccc(cc1O)Oc1cccc(c1)CCc1ccc-2c(O)c1 103248713 XQVPDJQIKYHQEN-UHFFFAOYSA-N 424.496 6.147 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2ccncc2)C[C@H](c2ccc3c(c2)OCO3)C1 103998852 XPFDAXFUXWEJAI-GKVSMKOHSA-N 411.461 5.439 0 1 HKAF CC(C)CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 145548981 GSCVGOWYANABRL-LJQANCHMSA-N 408.523 5.388 0 1 HKAF CCC(CC)NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 145580236 IUCUEUKHOPTJKY-QFIPXVFZSA-N 408.567 6.280 0 1 HKAF Cc1cc(C(=O)O)c2[nH]c(-c3c(F)c(F)c(-c4ccc(O)cc4)c(F)c3F)nc2c1 168635415 YQZSTUZKFCJKJJ-UHFFFAOYSA-N 416.330 5.166 0 1 HKAF CC[C@@H](/C=C/[C@@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 255222145 JZVFJDZBLUFKCA-JPHMJKRTSA-N 412.702 7.801 0 1 HKAF NC[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4ccccc4)n3)c(Cl)cn2)CC1 261118479 JDSQHSZBUZZGJW-UAPYVXQJSA-N 421.976 5.339 0 1 HKAF CC1=CCCC(C)(C)[C@H]1/C=C(\C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991138 JNVPPJMQIDZEQM-UEBLJOKOSA-N 409.529 6.938 0 1 HKAF Cc1cc(F)c2[nH]c([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)nc2c1 587031679 PBLOJQOHHGDZJK-LLUUXILJSA-N 402.520 5.137 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587073704 KHQFEPZQEXEUMC-UHFFFAOYSA-N 410.904 7.651 0 1 HKAF FC(F)(F)Sc1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c1 587232404 TWYSSMCTCFBGHU-UHFFFAOYSA-N 403.429 5.725 0 1 HKAF CC(C)[C@@H]1CCc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587353130 NYJVSFNWTDQWKX-LNBJVWSJSA-N 416.492 6.004 0 1 HKAF COc1cccc(-c2cc(CC(=O)Cc3ccccc3)nc3c2oc2ccccc23)c1 587366687 YFRKNMLFBBZSOU-UHFFFAOYSA-N 407.469 6.011 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@@H](c3ccccc3)N(C)[C@H](c3ccccc3)C1)O2 587392537 BLNFQAVZYDXKAP-ZEQRLZLVSA-N 412.533 5.489 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(CSCc4ccco4)c1)[C@@H](C2)C3=O 587454417 YFMCTRCXDUFXDF-YADARESESA-N 422.502 5.219 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2[nH]c3ccc(F)cc3c21 587472434 QLQDHXQRDAGSNA-VWLOTQADSA-N 407.485 5.798 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cccc(CC(=O)O)c3)cc1)CC2=O 587480122 FJTIYXPZUNIKKT-DEOSSOPVSA-N 416.473 5.345 0 1 HKAF O=C1C[C@](Cc2ccc(Cl)cc2)(c2ccccn2)Oc2c1ccc1c2CCCC1 587498248 DLRHDORKNVJFKE-RUZDIDTESA-N 403.909 5.717 0 1 HKAF CCCCCCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587520490 CXRBEDUYSLXTGE-XMMPIXPASA-N 408.538 6.240 0 1 HKAF Cc1nc2ccccc2c(C(=O)O)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587527915 VIBFOKGQKBOPFA-VWLOTQADSA-N 401.462 5.001 0 1 HKAF Cc1ccc(N)c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587580147 QYHLPMHPKUMCHH-SQHAQQRYSA-N 423.468 5.188 0 1 HKAF CCc1cc(CC)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(CC)c1 587604401 WGSROJCJKMCTGB-OZXSUGGESA-N 402.490 5.782 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(O)c2)cc1 587609622 OJNFMTPTWXPZFN-OZXSUGGESA-N 410.425 5.468 0 1 HKAF C[C@]1(c2cc(Br)cs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610785 DWEKEXVLCPQKPM-QFBILLFUSA-N 417.280 5.093 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccccc3)[nH]c2Cl)N1 587698614 PCJSVXZRHTXDPH-QLJPJBMISA-N 420.713 5.255 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2cccc(Cl)c2)N1 587701483 NLDSQJLEKIOHER-GIGQVBGESA-N 420.713 5.255 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2C(F)(F)F)N1 587711262 JHCFDDRSFQXYOI-BMLIUANNSA-N 402.229 5.405 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ncc2C(F)(F)F)N1 587717650 XLLHKIXSZYUZQQ-NZFNHWASSA-N 423.635 5.279 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccccc3F)c2)N1 587730195 WYZSJQYCFPVFQF-MCMMXHMISA-N 414.293 6.018 0 1 HKAF CCOc1ccc([C@@]2(C3CC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587799090 ACJQDAHUVZEQBX-LRTDBIEQSA-N 404.323 5.175 0 1 HKAF CCc1cccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587815804 QIUNGALJDBKGCQ-GYCJOSAFSA-N 424.357 5.977 0 1 HKAF Cc1cccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587815989 SEJWYCLOMKNPTB-QMHKHESXSA-N 410.330 5.723 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3O)cc2)N1 587833539 OJFQJNAULRTYOJ-DMZKTXOQSA-N 412.302 5.584 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCC3)Oc3ccccc32)N1 587837682 KGWKHVUXJGOOAO-LRTDBIEQSA-N 402.307 5.071 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccccc3)o2)N1 587842473 FLMFLBPGEXCOMQ-YUNKPMOVSA-N 418.331 5.956 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccccc3)cs2)N1 587853243 LRCLQPGPLZUSPW-ZMZPIMSZSA-N 403.320 5.335 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3sccc3nc2Cl)N1 587855933 HJSWULQMISGDBB-BCTVWOGZSA-N 411.727 5.475 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nnc(C)n1-c1ccccc1 587860208 ODVSQHDYRDLFJI-UHFFFAOYSA-N 414.296 5.134 0 1 HKAF CCC/C=C/C[C@@H]1C/C=C/C=C(C)/C=C/C=C\[C@H](O)C/C=C(C)/C=C/C=CC(=O)N1 653717559 UMYFIUGQWGBKLX-CHQDMZBXSA-N 407.598 6.046 0 1 HKAF COCCOc1ccc(/C=C/C(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1 653786122 ZKTAZBPNNAFASE-JXMROGBWSA-N 422.550 5.412 0 1 HKAF COc1cccc([C@@]2(c3cc(C)ccc3C)NCCc3cc(-c4ccccc4)ccc32)n1 962657781 DFNDZHZUDQWCIZ-GDLZYMKVSA-N 420.556 5.812 0 1 HKAF CC(C)c1nn(C)c2c1[C@](CSc1ccccc1)(c1ccc(Cl)cc1)NCC2 962922122 VNNMXYMKIUGTPW-QHCPKHFHSA-N 412.002 5.379 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc3cc(C)ccc3n(CC(C)C)c2=O)N1 962952618 VHEDNNBMTWGYRM-NIYFSFCBSA-N 413.565 5.461 0 1 HKAF CCC[C@H](C[C@H]1c2ccsc2CCN1Cc1cccnc1)NC(=O)OC(C)(C)C 962995244 MPPHTUCCPVUSEP-QUCCMNQESA-N 415.603 5.326 0 1 HKAF COc1ccc2c(c1)[C@H](c1nc(-c3cc(C)c(OC)c(C)c3)cs1)N[C@H]1CC[C@@H]21 962997641 RGJXCYVQCVCAPX-RCZSKKKRSA-N 406.551 5.383 0 1 HKAF Cc1sc2c(c1C)CCN[C@]2(c1ccc(F)cc1)c1cnc(-c2ccccc2)s1 963014005 SNAPMWCYKNIPBU-XMMPIXPASA-N 420.578 6.065 0 1 HKAF CCCC[C@H]1CCC[C@]12c1c(ccc(OC)c1OC)CCN2C(=O)c1ccccc1N 963151679 YBJXLWZZXJSWSR-AFMDSPMNSA-N 422.569 5.170 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC(=O)C(F)(F)F)c1ccc(C(C)C)cc1 963230808 AUORGSINYSGDED-HOYKHHGWSA-N 417.515 6.232 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c2c1O[C@H](c1ccccc1)[C@H](O)C2=O 1772656783 WUWNEEGAGYFEHY-VDFKVXEMSA-N 408.494 5.010 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C=C(C(=O)O)[C@H](CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@@H]12 2356655396 DJGJPNDCXJTXRM-UWHHFBIGSA-N 414.542 5.564 0 1 HKAF C[C@]1(c2nnc(-c3cccc(Cl)c3)o2)CC(c2c(Cl)cccc2Cl)=NO1 12477189 GURMMJJMXWHBRV-GOSISDBHSA-N 408.672 5.737 0 3 HKAF COc1ccc(C[C@H](N)c2csc(NC(=O)Nc3ccccc3C(C)(C)C)n2)cc1 61930049 PURDEZNJFLIDCP-SFHVURJKSA-N 424.570 5.336 0 3 HKAF CN1C(=O)c2ccccc2Sc2ccc(NC(=O)NCc3ccc(Cl)cc3)cc21 8587579 UCSSDABADYGCNN-UHFFFAOYSA-N 423.925 5.403 0 1 HKAF CCCC[C@H]1Cc2cc(OC(C)=O)ccc2-c2c(C=O)c3cc(OC(C)=O)ccc3n21 13650958 UBGGMPHQLKURCA-SFHVURJKSA-N 419.477 5.259 0 1 HKAF Cc1ccc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cn1 13738241 AEHGTZRFVOZVLJ-UHFFFAOYSA-N 415.968 5.635 0 1 HKAF CCCC[C@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)O)cc3F)c2c1 26498736 AARANZAXYFPTGU-INIZCTEOSA-N 410.489 5.682 0 1 HKAF CC1=C(c2ccc(O)cc2)[C@H](CCCCCCN2CCOCC2)c2ccc(O)cc21 26577627 PIUNGHCOTLTNOX-XMMPIXPASA-N 407.554 5.408 0 1 HKAF C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 27852877 FYHRJWMENCALJY-QVZZEMSHSA-N 402.663 6.361 0 1 HKAF Clc1cccc(-n2ncnc2NCc2cccnc2-c2ccsc2)c1Cl 29126449 PXEBQNDTKBRMDN-UHFFFAOYSA-N 402.310 5.310 0 1 HKAF C[C@@H](CN1CCC(CN2CCCCC2)CC1)c1cccc(C(=O)c2ccccc2)c1 29412503 WILUHSVPBYPZDZ-QFIPXVFZSA-N 404.598 5.219 0 1 HKAF C1=C(c2ccc(CCN3Cc4ccccc4C3)cc2)[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 36289109 JLAMKRXQRNZJDJ-MFMCTBQISA-N 420.600 5.780 0 1 HKAF COC(=O)[C@@](C)(Oc1ccc(Cl)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 39242771 GCQBDFHOIXLQMV-QFIPXVFZSA-N 417.288 6.253 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCCCCCC(=O)O)C(C)(C)CCC1 43067461 MKEXKEUZTYHRRE-RVRNSXJZSA-N 413.602 6.279 0 1 HKAF COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cc(Cl)ccc1C 49050619 ZOMODUIYBKFQKZ-KBMIEXCESA-N 411.973 6.365 0 1 HKAF COc1cc2c(cc1OC)C(=O)N1C=C(c3cccc4c3oc3ccccc34)C[C@H]1C=N2 49807959 SSYBUBSRXIKFES-INIZCTEOSA-N 424.456 5.575 0 1 HKAF O=C(Nc1cccc(OC(F)(F)F)c1)c1sccc1SCc1ccncc1 64559037 BIWYREYBGHKXQT-UHFFFAOYSA-N 410.442 5.586 0 1 HKAF Cc1ccc(C(=CCCN(C)[C@H]2CCCC[C@@H]2C(=O)O)c2ccc(C)s2)s1 66260198 FYTXKVCIBOQTCL-HKUYNNGSSA-N 403.613 5.823 0 1 HKAF Cc1[nH]c(CO)c(Cl)c(=O)c1-c1ccc(Oc2cccc(C(F)(F)F)c2)cc1 72177691 VBDWNBIKGCBULL-UHFFFAOYSA-N 409.791 5.307 0 1 HKAF CCCCCc1nc(-c2cnc(N(C)CC(C)C)nc2-c2cccc(C)c2)oc1C 82173014 SQULOCFVXXBDOL-UHFFFAOYSA-N 406.574 6.240 0 1 HKAF Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)C[C@@H]1C=CC(C(F)(F)F)=C[C@H]1C2 84711889 JBCFQFUXKQFWTL-RYUDHWBXSA-N 409.860 5.604 0 1 HKAF Cc1cc(C)c(-n2c(SCC(=O)Nc3ccccc3C)nc3cccnc32)c(C)c1 84731961 KIEGOTVMWMPRRC-UHFFFAOYSA-N 416.550 5.385 0 1 HKAF CO[C@@H]1Cc2c(csc2-c2ccc(C)cc2)C2(CCN(Cc3ccccc3)CC2)O1 95557589 IDXDVRFUQHNRCQ-DEOSSOPVSA-N 419.590 5.760 0 1 HKAF COc1ccc(-c2c(C(=O)c3ccccc3)[nH]c3ncnc(-c4ccccc4)c23)cc1 96921768 JLMDPXLHVDQXQS-UHFFFAOYSA-N 405.457 5.532 0 1 HKAF COC1=CC(c2ccc[nH]2)=N/C1=C/c1ccc(CCCCCCCCCCC(C)C)[nH]1 100308052 DVJJVLQBPFYTPJ-LGUFXXKBSA-N 421.629 7.426 0 1 HKAF in-vitro Cc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-c3ccc(N)nc3)c1)=N2 101383348 JDKIKCPGDWEOOV-UHFFFAOYSA-N 410.399 5.121 0 1 HKAF CCC1=C(Sc2ccccc2)[C@@H](COCc2ccc(Cl)cc2)C(=S)NC1=O 102816692 VZXDXVCZWNOGIR-GOSISDBHSA-N 417.983 5.386 0 1 HKAF COc1ccc(-c2nc3cc(-c4csc(C(=O)NCCC(C)C)c4)cnc3[nH]2)cc1 103248076 TVWMRPWVPSKLOP-UHFFFAOYSA-N 420.538 5.138 0 1 HKAF CC(C)(C)c1ccc(Oc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1 103303370 ZOWPQULSJIFHAL-UHFFFAOYSA-N 410.424 5.483 0 1 HKAF COc1cccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4cccs4)C3=C(O)C2)c1 104701304 KNQLJGLOUJWXEQ-FYSMJZIKSA-N 402.519 6.386 0 1 HKAF FC(F)(F)CNCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 145529692 CUAAOVGNPUEZHW-GOSISDBHSA-N 420.456 5.654 0 1 HKAF c1ccc([C@@H]2CCc3cc(Oc4ncc(CN5C6CCC5CC6)s4)ccc3O2)cc1 145613067 SQQIPCBHTQZYCO-XPJNUEMQSA-N 418.562 6.129 0 1 HKAF CC(C)=CC[C@@H]1C(=O)[C@H](C(=O)CC(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O 147577950 OLHLJBVALXTBSQ-IRLDBZIGSA-N 414.586 5.610 0 1 HKAF CCCOc1cncc(C2=CC[C@H]3[C@@H]4CCC5=CC(=O)NCC[C@]5(C)[C@H]4CC[C@]23C)c1 169208570 MHWMSZKSOJDCRB-FMYYWVMOSA-N 420.597 5.553 0 1 HKAF CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@@H]1c1ccc(-c2ccccc2)cc1 169728291 NPCZTDPKZMXZAZ-JWQCQUIFSA-N 415.533 5.734 0 1 HKAF c1ccc(CN2[C@@H](c3ccccc3)C3=C(NO[C@@H]3c3ccccn3)[C@@H]3CCCC[C@@H]32)cc1 195451792 JJQHRZMERXCEHL-SSVAKIOMSA-N 423.560 5.728 0 1 HKAF CC(=O)OC1[C@H]2CC[C@@H]1[C@@H]1[C@@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 195516703 SBDFAYSYHLEGJM-OTWAGTCISA-N 424.966 5.036 0 1 HKAF C/C=C(\C)C(=O)O[C@H]1[C@@]2(C)C=C[C@@]13CC[C@H]1[C@@](C)(CCC[C@@]1(C)C(=O)O)[C@@H]3CC2 238757760 XAGOABKVVNRUKC-SRDWAYAESA-N 400.559 5.528 0 1 HKAF CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C)C(C)C 255201101 BVVFRHKBULZQCQ-NQQYUQBLSA-N 414.718 8.313 0 1 HKAF CN1[C@H]2CC[C@H]1[C@H](c1cc(-c3ccc(Cl)cc3)no1)[C@H](c1ccc(Cl)cc1)C2 261181970 WHFIJZLIDVACTG-QQURRQIPSA-N 413.348 6.382 0 1 HKAF CCC(C)(C)c1ccc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)cc1 586882020 QZARAPXEQVFQNU-UHFFFAOYSA-N 411.265 6.699 0 1 HKAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(Cl)ccnc4[nH]3)c(=O)oc2c1C 586918787 UQDIICISVIORJD-UHFFFAOYSA-N 423.900 5.270 0 1 HKAF CC(C)Oc1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587025803 IETXPHKEHVAHBM-WTNAPCKOSA-N 423.582 5.487 0 1 HKAF CCOC(=O)c1ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2c1 587048839 YYOHXZUJFISUCU-UHFFFAOYSA-N 411.288 6.380 0 1 HKAF O=C(O)c1cc(Br)cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c12 587054546 OGMQUHLYDBLDDZ-PLNGDYQASA-N 412.070 5.501 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(O)nc(S)nc2[nH]1 587069900 FYGXWUUNHIPLIP-CKRBCLJCSA-N 407.326 5.020 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cccc(Br)c1CC3 587101730 LXXWGHNAHCHMFM-UHFFFAOYSA-N 412.286 5.974 0 1 HKAF Cc1ccc(NC(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1Cl 587103557 JMKIBPXZHLSPSG-UHFFFAOYSA-N 412.876 5.589 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(Oc4ccccc4)c(F)c3)nc3cccc1c23 587104571 YTXPOMBZKVJJGB-UHFFFAOYSA-N 417.439 7.045 0 1 HKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(F)c(Br)c2[nH]1 587114894 YSNFBXNTPFOKED-SECBINFHSA-N 401.201 5.830 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc5ncccc5c4[nH]3)c(F)c2)c1 587147519 RIWNZHRQYMMGTH-UHFFFAOYSA-N 413.408 5.291 0 1 HKAF CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1Cc1c2nc2cccc3c2c1CC3)CC(OC)=CC4 587215011 YJXBEFOTACPWON-UYJGJPIRSA-N 411.589 6.594 0 1 HKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587247196 JSVPEDRPCQEVLW-UHFFFAOYSA-N 421.500 6.770 0 1 HKAF Cc1cc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1C=O 587350196 DIJHAJDIFQKNHV-AHWVRZQESA-N 418.464 5.543 0 1 HKAF C[C@]1(c2cnc3ccsc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587375137 RDBQWZDTTMPJMW-JTHBVZDNSA-N 405.450 5.415 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)c(C(=O)c3ccccc3)n3ccccc13)O2 587394474 VYKHSZJKKYIFJJ-JOCHJYFZSA-N 410.473 5.076 0 1 HKAF CC(=O)CCCCCCCCCCCC[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587403692 PRKIIRQZUMIPDK-VWLOTQADSA-N 401.591 6.571 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1C(C)C)CC2=O 587458338 RXNJMLQVYMYPOG-HXUWFJFHSA-N 403.316 5.937 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(-c3cc(C)ccc3C)c1Cl)CC2=O 587461336 MFPYZCLQIMHUDD-NRFANRHFSA-N 424.928 5.816 0 1 HKAF O=C1C[C@H](c2ccc(Br)c3ccccc23)Oc2c1ccc1c2CCCC1 587498089 NUAIVVBSFNRGKB-JOCHJYFZSA-N 407.307 6.188 0 1 HKAF COc1ccccc1OCc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587534807 YYRFSANYWJEEJF-XMMPIXPASA-N 404.462 5.453 0 1 HKAF Cc1cc(F)ccc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587566905 BSNMDJLIZXDTDI-WIOPSUGQSA-N 416.404 5.803 0 1 HKAF CCC[C@H](OC)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587597631 VFNLGXAKUFUAAA-CHZKFRDHSA-N 418.489 5.757 0 1 HKAF CC1(C)[C@H](OCc2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587599448 FXJQZBHUNAJQAV-DRLORSAXSA-N 416.473 5.108 0 1 HKAF Cc1nc(-c2ccccc2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587615956 YEPYTCYZWOZNQI-XXBNENTESA-N 415.470 5.527 0 1 HKAF O=C(c1cccs1)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 587622028 UUQGHSZWTOILTE-UHFFFAOYSA-N 414.206 5.118 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)c3ccc(Br)cc3)c(C(F)(F)F)[nH]c12 587625040 ZYAXWDRSDLPDAN-UHFFFAOYSA-N 416.624 6.142 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(F)c3F)o2)N1 587725140 BMUABKZZGJWFLV-CFMSYZGJSA-N 422.244 5.750 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3cccc(F)c3)n2)N1 587731401 LPNXRPGNOBDGCH-MGNBDDOMSA-N 421.310 5.474 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2N)(C2CCCC2)N1 587745616 GCXGHOGVKHCEEH-ZSEKCTLFSA-N 403.339 5.138 0 1 HKAF Cc1ccc(-c2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 587814803 IZLGFKLMMKPMOS-FYSMJZIKSA-N 424.357 6.361 0 1 HKAF CC(C)c1ccc(C[C@@H](C)[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587818283 HMGLZRCXFGVEAI-HLFMIMNKSA-N 404.367 6.166 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(/C=C\c3ccccc3)cc2)N1 587818580 ITVHFVOWJPDXIH-LQSNSBEWSA-N 422.341 6.382 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccccc3)o2)N1 587826572 FATRFWWXKBXRGX-LRTDBIEQSA-N 400.291 5.646 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 587848420 OKYSKLPLOPLUJG-ASSNKEHSSA-N 416.359 6.249 0 1 HKAF CCOc1ccc(OCc2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)o2)cc1 587874495 CXVWZWNNWXHCNF-UHFFFAOYSA-N 420.396 5.054 0 1 HKAF FC(F)(F)c1cc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2cc1Br 587951540 NUXKGCCEDSYYTG-UHFFFAOYSA-N 411.221 5.943 0 1 HKAF COC[C@@H](C)Oc1ccc([C@@H](CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl 653799725 ZWOHLWADEZHKEZ-OXQOHEQNSA-N 412.961 6.342 0 1 HKAF Clc1ccc(-n2c(-c3ccccc3)c(-c3ccccc3)c3c(Cl)ncnc32)cc1 653851663 TZIACKOYGJVZKK-UHFFFAOYSA-N 416.311 7.061 0 1 HKAF C[C@]1(c2ccc3ncc(Br)cc3c2)c2c(F)cccc2C[C@@H]2CCCN21 963091734 AAIVDPITXQWOSW-AVRDEDQJSA-N 411.318 5.420 0 1 HKAF Cc1cc(-c2ccc(CNC(=O)c3ccc4c5ccccc5n(C)c4c3)cc2)ccn1 1772576083 WCGNSADKAGPGKN-UHFFFAOYSA-N 405.501 5.632 0 1 HKAF Cc1cccc(N(C(=O)NC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(C)c2)c1 1772588978 WLCAXOYFRNFWEE-MEMLXQNLSA-N 424.541 5.059 0 1 HKAF Clc1cccc([C@H]2CC(c3ccc4c(c3)OCO4)=NN2c2ccccc2)c1Cl 1772643201 HEFQPPRLVCDKRZ-LJQANCHMSA-N 411.288 6.078 0 1 HKAF CC(C)[C@@H](NC(=O)OCc1ccccc1)[P@@](=O)(Oc1ccccc1)C(C)(C)C 1911572563 KUGCXRQVZDZMNY-WTYVLRPYSA-N 403.459 6.051 0 1 HKAF CC1=C[C@H](CNCC2CCCCC2)[C@H](C(C)C)C[C@@H]1Cc1nc2cccc(C)c2[nH]1 2356356250 KZTOZSHNNTXTQH-SMIHKQSGSA-N 407.646 6.438 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356398589 WMXFLZHWFZIIBF-TXSPWDPESA-N 424.713 8.543 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H](CC(=O)O)[C@H]([C@]3(C)CCCCC3=O)CC[C@@]12C 2356419394 QOKGFICMPVDWTL-GDEXZJLYSA-N 418.662 7.132 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCC[C@]1(C)CCc2cc(C)c(C)c(O)c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c1cc(OC)c(OC)cc1C=C[C@@H]1CCC=C[C@@H]1c1ccc(OC)c(OC)c1 2356683774 DPPUNDFHJDXSHJ-PXNSSMCTSA-N 410.510 5.493 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(Cl)c1)Oc1ccc(Cl)cc1-3 3831936 YTMMXBWUMWUPPN-DEOSSOPVSA-N 422.355 7.750 0 1 HKAF Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Oc2ccc(C(C)(C)C)cc2)cc1 13442511 YDSSZIUQYFXSNF-UHFFFAOYSA-N 420.557 6.451 0 1 HKAF CC(C)(Oc1ccc(CC(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)cc1)C(=O)O 13649351 WHDPKKQAGGOYNY-UHFFFAOYSA-N 416.688 5.070 0 1 HKAF CCc1nc(-c2cccc(Cl)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1 13673399 BGPZLFWCEXPQPC-UHFFFAOYSA-N 419.937 6.340 0 1 HKAF CC(C)CCN(Cc1ccc2ccc(C(=N)N)cc2c1)C(=O)c1ccc2ccccc2c1 28524207 GAOAEFJXSDPDRH-UHFFFAOYSA-N 423.560 5.966 0 1 HKAF Cc1ccccc1[C@H](SCCCN1CCC[C@@H](C(=O)O)C1)c1cccc(C)c1C 28902760 KRXMDHPSOWRMNO-QPPBQGQZSA-N 411.611 5.621 0 1 HKAF Clc1ccc2c(NCCCNCc3ccc(Br)cc3)ccnc2c1 34545089 AZVLGZZDQRTKFL-UHFFFAOYSA-N 404.739 5.243 0 1 HKAF O[C@@H](CNc1ccnc(Nc2ccc(Cl)cc2)n1)c1ccccc1C(F)(F)F 45189351 NPTTUWXXLAOEHJ-INIZCTEOSA-N 408.811 5.038 0 1 HKAF O=C(OCc1ccccc1)N1CCc2c([nH]c3ccccc23)[C@H]1CCC(F)(F)F 45231122 WWIGVVFFAQYPKP-LJQANCHMSA-N 402.416 5.746 0 1 HKAF CCCOc1ccc(Oc2ccc(-c3ccc([C@H](C)NC(=O)COC)cc3)cn2)cc1 45321004 GIFITHLBBCNHQQ-SFHVURJKSA-N 420.509 5.153 0 1 HKAF O[C@H]1c2ccccc2O[C@@H](c2ccc(OCCN3CCCC3)cc2)[C@@H]1c1ccccc1 45351734 WJUZCUCUSWFOHJ-PVHODMMVSA-N 415.533 5.112 0 1 HKAF CC(=O)SCC[C@H](CCCCC(=O)Nc1cccc(Cl)c1)SC(C)=O 49069028 MSWZPORMXNHYNN-KRWDZBQOSA-N 401.981 5.157 0 1 HKAF O=C(/C=C\c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1)NCc1cccc(F)c1 51023973 ACBQWMRXGLCZEC-WDZFZDKYSA-N 405.860 5.352 0 1 HKAF COc1cc([C@@H](C)CCCc2ccc(F)cc2)cc2c1-c1cnccc1C(C)(C)O2 59687908 ZUWMWZBYLNCDJN-KRWDZBQOSA-N 405.513 6.650 0 1 HKAF O[C@@H](c1cccc(OCc2ccccc2)c1)c1nnc(Nc2ccccc2Cl)s1 82081812 UPBIRDBMOZPNLH-FQEVSTJZSA-N 423.925 5.596 0 1 HKAF Fc1ccc(F)c(-c2nc3ccn(Cc4ccc(Br)cc4)cc-3n2)c1F 100068439 PHCFVCRCGQKURP-UHFFFAOYSA-N 418.216 5.278 0 1 HKAF CC[C@@H](C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1cccnc1 100703346 WUJMWYDETVIUIA-MLGOLLRUSA-N 410.543 5.318 0 1 HKAF COc1ccc(C(=O)Nc2cccc(-c3ccc(OC4CCN(C)CC4)cc3)c2)cc1 103242611 WXDGSDGXYXNZHS-UHFFFAOYSA-N 416.521 5.088 0 1 HKAF C1=N/c2ccc(cc2)/N=C/c2ccc(cc2)OCc2cccc(n2)COc2ccc/1cc2 104528260 DFJXVTZAJCINNC-LPHFKDDMSA-N 419.484 6.054 0 1 HKAF CC(C)OCCCNCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1 141425397 SNZVLBZGHRYFIM-UHFFFAOYSA-N 418.537 5.216 0 1 HKAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2ncc(C)s2)c1 167851146 FMAOIOLKTPUQSK-DNVCBOLYSA-N 422.550 5.245 0 1 HKAF COc1ccccc1[C@@H](Cc1ccccc1)N1CCN(C2CCCCCCC2)CC1 169317905 DJTZHWUVKLRUAA-AREMUKBSSA-N 406.614 5.710 0 1 HKAF O=C(c1cnccc1Oc1ccc2cccnc2c1)N1CCN(C2CC2)c2ccccc21 169349692 GEMAUICASOBLMZ-UHFFFAOYSA-N 422.488 5.051 0 1 HKAF COc1ccc(-c2noc([C@H]3[C@@H](c4ccc(Cl)cc4)C[C@@H]4CC[C@@H]3N4C)n2)cc1 169714423 UHKLODIEZLNQLP-NRDMVMEKSA-N 409.917 5.133 0 1 HKAF Cc1c(CCC(=O)O)ccc(OCc2sc(F)cc2-c2ccc(Cl)cc2)c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c1ccc(-c2ccc(CNCCNc3ccnc4cc(Cl)ccc34)s2)cc1 299853378 JNEBUYILRPCWCL-UHFFFAOYSA-N 408.958 5.401 0 1 HKAF Oc1ccc(-c2ccccc2-c2nc3ccc(I)cc3[nH]2)cc1 586897981 CTHLCIQZMBNKLR-UHFFFAOYSA-N 412.230 5.207 0 1 HKAF COC(=O)c1cc(Br)c2[nH]c(-c3ccccc3-c3ccc(O)cc3)nc2c1 586899401 VRPJKOBLTAGOCK-UHFFFAOYSA-N 423.266 5.152 0 1 HKAF Cc1ccc(-n2ccnc2SCc2nc3cc(Cl)c(F)c(F)c3[nH]2)c(C)c1 586967197 ZLKXKNKFIHFXGA-UHFFFAOYSA-N 404.873 5.589 0 1 HKAF O=C1c2ccccc2-c2cc(Cc3cccc(C(F)(F)F)c3)nc3ccc(O)c1c23 586985167 AZPPRWWKQIFVOP-UHFFFAOYSA-N 405.375 5.761 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(C(F)(F)F)cc4Cl)nc13)-c1ccccc1C2=O 586993183 MHSXRZWIJJBZDQ-UHFFFAOYSA-N 423.821 7.094 0 1 HKAF Cc1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cc1Cl 587010955 KFXLQCLCZUQMCQ-UHFFFAOYSA-N 410.951 7.292 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2c(F)cnc(Br)c2[nH]1 587014404 LDYVZNPNEJPTEX-UHFFFAOYSA-N 423.698 5.612 0 1 HKAF CNc1cc(Cl)ccc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587067094 NGBRJUJQDXIEER-UHFFFAOYSA-N 420.616 5.586 0 1 HKAF O=C(c1ccccc1)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2c1 587085566 USEAXWVUCNEGMF-UHFFFAOYSA-N 410.864 5.571 0 1 HKAF CC(=O)c1ccc2cccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2n1 587107499 SWQJSJDLXBGGRH-UHFFFAOYSA-N 400.437 5.864 0 1 HKAF CNc1c(F)cccc1-c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 587135442 APQGXVKOSATSMW-UHFFFAOYSA-N 415.428 5.136 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(F)c(F)c(F)c4[nH]3)cc2F)c1 587144392 UZHJCKAJXZBJRT-UHFFFAOYSA-N 416.330 5.160 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc5c(c4[nH]3)CCCC5)c(F)c2)c1 587147706 YGNPOJAHNMCCRP-UHFFFAOYSA-N 416.452 5.622 0 1 HKAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1F 587151097 GDQYQZIECRTJDN-DTWKUNHWSA-N 417.175 5.894 0 1 HKAF N[C@@]1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)C[C@H]1c1ccccc1F 587154472 PRCPSRPQORWEQS-WNSKOXEYSA-N 400.482 5.320 0 1 HKAF Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2n1C 587341610 KAZQQOPAVRISRB-RSXGOPAZSA-N 415.464 5.606 0 1 HKAF COc1cccc(-c2c(C)c(-c3ccc(Cl)cc3O)nc3c2oc2ccccc23)c1 587357429 IOFOOWLJNWUHDC-UHFFFAOYSA-N 415.876 6.991 0 1 HKAF Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)sc2ccccc12 587374060 NSVQPICFIVPMRE-DHLKQENFSA-N 418.489 6.329 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1F)(C1CC1)CC2=O 587465420 DPNMKPJXTNSRFX-NRFANRHFSA-N 419.290 5.517 0 1 HKAF Cc1ccc([C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497313 AGMJBHGHTMJRJW-AREMUKBSSA-N 402.921 6.436 0 1 HKAF O=C1C[C@@H](c2ccc(I)cc2F)Oc2c1ccc1c2CCCC1 587504634 KJUZGPDLHMAWNX-SFHVURJKSA-N 422.237 5.016 0 1 HKAF O=C1C[C@H](c2ccccc2-c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587510981 ZGTTWTIZGKLKHO-XMMPIXPASA-N 422.446 6.958 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN1CCC(C)CC1 587514838 PQBHWTKUNPKAIB-SANMLTNESA-N 419.565 5.512 0 1 HKAF Cc1ccc(-c2nc3ccccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587516110 USHWVOKPSRINQK-XMMPIXPASA-N 422.528 6.203 0 1 HKAF O=C1C[C@@H](c2c[nH]c3cccc(OCc4ccccc4)c23)Oc2c1ccc1c2CCCC1 587523930 IWRUAUJIWOGLLM-SANMLTNESA-N 423.512 6.332 0 1 HKAF C[C@]1(Cc2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549082 PTBSMKBLBGSSLK-DENIHFKCSA-N 414.379 5.374 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@H]2Cc1ccccc1 587602504 IFXJMIPONHQCIU-CZZAQMAHSA-N 400.474 5.526 0 1 HKAF CCCCN(CCCC)c1ccc(-c2nn(C(=O)CC)c(=O)c3ccccc23)c(O)c1 587662770 PPZDVLOJEHUSTG-UHFFFAOYSA-N 421.541 5.226 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccc(Cl)c(Cl)c2)N1 587695946 OIQMVORBQKBMTP-YPMLDQLKSA-N 417.149 6.103 0 1 HKAF Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1Cl 587697444 WESYERKQYFRGBQ-XLFHBGCDSA-N 403.122 5.827 0 1 HKAF Cc1cc(C(F)(F)F)ncc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587710413 CNSUIZPFQUYWII-DYZYQPBXSA-N 417.244 5.108 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(-c3cccs3)c2)N1 587722289 XXJLPNBJPZXOBG-YBTHPKLGSA-N 420.322 6.079 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3cccc(F)c3)n2)N1 587731402 LPNXRPGNOBDGCH-MLCYQJTMSA-N 421.310 5.474 0 1 HKAF Cc1ccc([C@]2(c3cccnc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587773822 KABWPJVXLQEQHL-OYHNWAKOSA-N 411.318 5.118 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cccnc3)cc2)N1 587778410 MYWQDVIFNHJXII-LRTDBIEQSA-N 413.290 5.399 0 1 HKAF COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC(C)C 587790732 HYBXSJISUJIYPS-BUXKBTBVSA-N 408.311 5.008 0 1 HKAF CCOc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC 587803090 VYVYTLBNXQMBNX-LRTDBIEQSA-N 422.338 5.183 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CC=C(CCCC(C)(C)O)CC2)N1 587824510 BYPZPPWOJSESEY-IUSZMWJPSA-N 424.398 5.831 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccccc3)o2)N1 587831757 YEUYZNHMXBZHOU-LRTDBIEQSA-N 400.291 5.646 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(C(F)(F)F)nc1 587853973 CCQXNBYLNPMFRP-UHFFFAOYSA-N 402.203 5.659 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2cccc(F)c2s1 587868106 UQQCHLPZLPSRDX-UHFFFAOYSA-N 421.375 5.015 0 1 HKAF COc1ccc2cc([C@@H](C)c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)ccc2c1 587933958 BQEQRGATBWJETJ-LLVKDONJSA-N 420.818 6.429 0 1 HKAF Cc1ccc(CCc2nc3nc(C(=O)c4ccccc4)c(-c4ccccc4)c-3c(O)[nH]2)o1 653693407 BHNSHGMWXAJVOK-UHFFFAOYSA-N 423.472 5.200 0 1 HKAF Cc1c(F)ccc2c1[C@H](c1c(C3CCCC3)[nH]c3ccc(C(C)(C)C)cc13)NCC2 962086700 AFEJLLWPASYXJT-AREMUKBSSA-N 404.573 6.806 0 1 HKAF CCOc1ccccc1-n1cccc1[C@@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962703548 NBSDPZCRBIQXHE-CJAUYULYSA-N 422.569 5.468 0 1 HKAF CCOC(=O)CCC[C@@]1(c2cc(F)cc(F)c2)c2ccc(F)cc2C[C@H]2CCCN21 963098698 JAOSIPXLLWQBNC-ZJSXRUAMSA-N 417.471 5.101 0 1 HKAF CCSc1ccc([C@@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)c(Cl)c1Cl 963102454 KFGOWXOOQJDDGK-YCRPNKLZSA-N 410.385 6.529 0 1 HKAF C[C@@]1(c2cccc(-c3cccc(CC(=O)O)c3)c2)c2c(F)cccc2C[C@H]2CCCN21 963114737 WKZQGSJOZNCCEK-YIXXDRMTSA-N 415.508 5.404 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CCc1ccccc1)c1ccccc1C 963603211 BNGZKCAVEQWUIG-DCFHFQCYSA-N 401.550 5.423 0 1 HKAF FC(F)(F)c1cccc(Nc2nc(C(Cl)(Cl)Cl)nc3sccc23)c1 1772618222 QHRXVZLMAVQRPD-UHFFFAOYSA-N 412.651 6.280 0 1 HKAF COc1cc(OC)c(NC(=O)NCCC2=CS[C@@H]3C[C@@H](C)CC[C@H]23)cc1Cl 1857535946 PRIPWHITKPWISS-BBEJJTJUSA-N 410.967 5.304 0 1 HKAF Cc1cccc(C)c1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NCCc1ccccc1 1857542502 QTBHPQXJELWRFR-VWLOTQADSA-N 411.549 5.167 0 1 HKAF COC1CCN(Cc2cc(-c3ccc(C(F)(F)F)cc3)n(C3CCCCC3)n2)CC1 1857548464 MGRSWPSXEHNRLR-UHFFFAOYSA-N 421.507 5.685 0 1 HKAF COc1cc2c(c(OC)c1-c1ccc(OC)c3c(OC)cc(C)cc13)[C@@H](C)N[C@H](C)C2 1857596157 MWONATDKBORUOS-HZPDHXFCSA-N 421.537 5.445 0 1 HKAF CC[C@@H](C)OC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 1857755873 XRDLAFPSGZQPAG-CQSZACIVSA-N 413.901 5.184 0 1 HKAF OCc1cc2c3ccccc3n(Cc3cccc(F)c3)c2c(-c2c[nH]c3ccccc23)n1 1857767699 TWJYABUACIAJES-UHFFFAOYSA-N 421.475 6.018 0 1 HKAF S=C(Nc1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1ccc2c(c1)OCCO2 1857772481 DJWUWQKHGCJTLN-GOSISDBHSA-N 421.547 5.067 0 1 HKAF CN[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@]35CC[C@]12C 2356487194 RXSFCOUBKQSZFV-IRHCZACHSA-N 400.695 5.964 0 1 HKAF C[C@@H](CC[C@H](C)[C@@H](C)CO)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356592628 DUZMPSZAXXOQBT-WNALDESUSA-N 416.690 6.607 0 1 HKAF COc1cc(O)c(CC=C(C)CCC=C(C)C)c2c1[C@@H]1Oc3cc(O)ccc3[C@H]1CO2 2356697136 KQOZBCGTGONGDN-FQRUVTKNSA-N 422.521 5.951 0 1 HKAF C[C@H]1CC[C@@H]([C@H](C)[C@@H]2C[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2)NC1 2356735208 DADHFMSASPSIMH-UZLIVNTHSA-N 415.662 5.209 0 1 HKAF CN(Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1)Cc1cnc2ccccn12 11935099 YZIIBMAJKKVEHH-UHFFFAOYSA-N 423.520 5.159 0 3 HKAF C[C@@H](C(=O)NC(C)(C)C)n1c(C(c2ccccc2)c2ccccc2)nc2ccccc21 95567935 WFTJLEBNGKEDTM-IBGZPJMESA-N 411.549 5.692 0 3 HKAF Cc1csc(-c2nc3ccccc3n2[C@@H](C(=O)NC(C)(C)C)c2ccccc2)c1 95599291 APTALLRFQBHSED-OAQYLSRUSA-N 403.551 5.577 0 3 HKAF O=C(Nc1ccc2ncccc2c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 203475802 OFQMZJLZUCGLAS-UHFFFAOYSA-N 409.876 6.356 0 3 HKAF O=C(Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1cc(Cl)cc(Cl)c1 1044699 YUNCQBRVEREBDR-UHFFFAOYSA-N 402.155 5.371 0 1 HKAF Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(c3cccc(-c4ccccc4)c3)C2)C1 4238108 PINCGCHKSKHLCL-SANMLTNESA-N 415.537 5.091 0 1 HKAF C[C@@H]1CSC2=C1c1c(O)cc([C@@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C 13455731 CDHDXFFFAFVYKB-JKSUJKDBSA-N 412.570 6.923 0 1 HKAF CCN(CC)CCCOc1ccc(-c2ccc(C(=O)N3CCC(C)CC3)cc2)cc1 13488923 GVTYNYBEBVWRFJ-UHFFFAOYSA-N 408.586 5.336 0 1 HKAF Cc1cc(C)c(NC(=O)c2cccc3sc(NC(=O)OC(C)(C)C)nc23)c(C)c1 13533811 XBCALEDAGNICDX-UHFFFAOYSA-N 411.527 5.821 0 1 HKAF CC1(C)C=Cc2c(c(C(=O)c3ccccc3)c(O)c3c(-c4ccccc4)cc(=O)oc23)O1 14558134 FAZVFXHNTSBJBV-UHFFFAOYSA-N 424.452 5.581 0 1 HKAF biogenic CN(Cc1ccc(F)cc1)[C@@H]1CC[C@H](C(c2ccccc2)c2ccccc2)N(C)C1 22932236 LYUZMHHNZPYBFH-CLJLJLNGSA-N 402.557 5.552 0 1 HKAF COc1ccc(C(=O)c2[nH]c3cc(-c4cccc(F)c4)cc(O)c3c2C)c(OC)c1 28379525 BNRZHVONGDWQKF-UHFFFAOYSA-N 405.425 5.236 0 1 HKAF O=c1c2cc(F)c(-c3cccc4cnccc34)cc2n(C2CC2)c2snc(O)c12 28572087 VBDBVGOJRRMHMG-UHFFFAOYSA-N 403.438 5.006 0 1 HKAF O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Nc2ccncn2)cc1 28952527 AKJAPJSPYTVXLW-UHFFFAOYSA-N 407.886 5.249 0 1 HKAF CC(C)(Oc1ccc(CNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cc1)C(=O)O 28978935 OMNQOAZYICYSHQ-UHFFFAOYSA-N 423.896 5.179 0 1 HKAF CN1CCC(c2cccc3[nH]c(-c4nc(CCc5ccc(Cl)cc5)no4)cc23)CC1 36311387 XRRSGVAKNLABMJ-UHFFFAOYSA-N 420.944 5.466 0 1 HKAF CCCCn1c2ccccc2c2cc(C=O)nc(-c3cc(OC)c(OC)c(OC)c3)c21 40421615 XMWDWFXMQIKLBC-UHFFFAOYSA-N 418.493 5.495 0 1 HKAF Cc1ccc([C@@H](CCN(C)C)NC(=O)c2cccc(-c3ccc4ccccc4c3)c2)cc1 45290385 QLEPOEKQYKHHPP-MUUNZHRXSA-N 422.572 6.238 0 1 HKAF COCCCN1CCC(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1 49067712 WLBLFYZQNPYCCQ-UHFFFAOYSA-N 410.949 5.008 0 1 HKAF CCOc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(CC)(c4ccccc43)[C@@H]2C1=O 68588125 UXMOSFCDANTQEI-IOXNAGQWSA-N 423.512 5.046 0 1 HKAF biogenic C[C@@H]1[C@@H](OC2CCCC2)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]21 70454728 HGHCDDIPMDTEIA-ZAJDKKEBSA-N 414.630 5.856 0 1 HKAF FC(F)(F)c1ccccc1CNCc1coc(-c2ccc(Cl)cc2Cl)n1 72186083 ARZDOVJEJQPDEP-UHFFFAOYSA-N 401.215 5.957 0 1 HKAF O=C(O)[C@@H]1C[C@@H]1COc1nc2c(F)c(-c3ccc(-c4ccccc4)cc3)c(F)cc2[nH]1 72316452 XYDQMCFXISPLLU-IAGOWNOFSA-N 420.415 5.275 0 1 HKAF C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCCC3)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C 82151379 MSLPWLIMOWYVED-IIZJSDIPSA-N 422.548 5.001 0 1 HKAF COc1cc(/C=C2\CCCn3c(-c4ccc(F)cc4)cnc32)ccc1-n1cnc(C)c1 95578834 PDOPNEXCTFCJFK-UDWIEESQSA-N 414.484 5.526 0 1 HKAF COc1ccc([C@H](O)/C=C/c2coc3cccc(OCC4CCCCC4)c3c2=O)cc1 95593082 ANGDVNGZHOCRPF-OWSFEGEDSA-N 420.505 5.508 0 1 HKAF O=Cc1ccc(OCCCCCCCCCCCCOc2ccc(C=O)cc2)cc1 96906290 SFOALOMUABTMCG-UHFFFAOYSA-N 410.554 6.670 0 1 HKAF CCOc1ccc(-c2cnc(NC(CC)CC)c(C(=O)c3ccc(Cl)cc3)c2)cc1 96938325 GAXADXZJYQCIRK-UHFFFAOYSA-N 422.956 6.632 0 1 HKAF CC1(C)O[C@@]23CC[C@@]4(C)C(=CC[C@H]5Cc6c([nH]c7ccccc67)[C@@]54C)C2=CC(=O)[C@@H]1O3 139588584 JLENOOOPKJFMMJ-MQEXBILOSA-N 415.533 5.128 0 1 HKAF Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(NC2CCCC2)n1 144323369 OLMCGMLUUUDEGH-UHFFFAOYSA-N 404.489 5.447 0 1 HKAF Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 586890591 RHAQKGIRFUIVOB-QFYYESIMSA-N 413.237 5.490 0 1 HKAF CCOc1cc(/C=C/c2nc3c(C)ccc(C)c3[nH]2)cc(Br)c1OC 586978391 QLSPRQFLKJNGCW-CMDGGOBGSA-N 401.304 5.520 0 1 HKAF O=C1c2ccccc2-c2cc(Cc3ccc(C(F)(F)F)cc3)nc3ccc(O)c1c23 586986578 NJCJWUZEGHMRMS-UHFFFAOYSA-N 405.375 5.761 0 1 HKAF COc1cncc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c12 587018524 FWOIERNLXVXTLJ-UHFFFAOYSA-N 419.337 5.723 0 1 HKAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cccc(F)c2[nH]1 587018952 RPJDYUUNEWZUMA-UHFFFAOYSA-N 406.313 6.458 0 1 HKAF CC(C)Oc1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2c1 587030781 IGAAZKHRHWEJPH-UHFFFAOYSA-N 402.317 5.577 0 1 HKAF Clc1ccc(CC/C(=C\c2nc3cc4c(cc3[nH]2)OCCO4)c2ccccc2)cc1 587074425 XLXCNJZBVXSIJL-XMHGGMMESA-N 416.908 6.161 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(Cl)nc4[nH]3)c(Cl)cc12 587078255 MPPPKQGPLOAAHF-SNVBAGLBSA-N 418.280 5.464 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2c1 587119514 DPBBEGCSTIOYEX-UHFFFAOYSA-N 422.760 5.378 0 1 HKAF Fc1ccc(-c2ccccc2-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1F 587146047 XCCOTRGLOOFNGS-UHFFFAOYSA-N 419.656 6.591 0 1 HKAF CC(C)Oc1cc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c2cc1Br 587170585 QZBVGRXLZVTYKS-LBPRGKRZSA-N 423.351 6.148 0 1 HKAF CCCC[C@@]1(CCCCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354987 SEALCWZVFZUTDG-VWNXMTODSA-N 414.473 5.464 0 1 HKAF COc1cccc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)oc12 587357261 TZNGGODEQSYRNY-WIOPSUGQSA-N 418.420 5.560 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1OCCC(C)C)O2 587376808 KNICEUMYVXMCNV-HXUWFJFHSA-N 418.331 5.471 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1c(C)nc3c(C)cccc3c1Cl)O2 587378883 FEOWAEIOEBLMBK-XMMPIXPASA-N 408.929 5.752 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](c3ccc(C(F)(F)F)cc3)C1)CC2=O 587464931 ZHLIGFCRDFFLOV-OYHNWAKOSA-N 404.428 6.035 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(C(C)(C)C)[nH]c3c(F)cc(F)cc13)CC2=O 587469667 BREHUJAPMMYABP-IBGZPJMESA-N 413.464 6.108 0 1 HKAF CCCOc1ccc([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)c(OCCC)c1 587478616 GPTJCMUODUVTPA-RUZDIDTESA-N 412.526 5.803 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(Cl)o1 587538228 DLYDEQWHDYAEFN-RHSMWYFYSA-N 421.630 5.104 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cccc(Cl)c2n1 587552464 RPKGFOMMADYJCX-WMZHIEFXSA-N 403.821 5.297 0 1 HKAF C[C@]1(c2ccc3c(c2)-c2ccccc2C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603422 OKHZEPYFBYKIPC-LBNVMWSVSA-N 420.464 5.840 0 1 HKAF CC(C)c1ccc2c(c1)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604079 QRXJHOABHDCIHN-JYFHCDHNSA-N 400.474 5.709 0 1 HKAF CC[C@]1(c2c(Cl)cccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587693349 NGBLMKGFPAJGSX-YPMLDQLKSA-N 417.149 6.083 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2c(Cl)cccc2Cl)N1 587696482 ULLHWMYVDUULLY-YPMLDQLKSA-N 417.149 5.887 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)c(F)c2)N1 587709763 CLXKQJRCUYPBMF-XYZCENFISA-N 420.219 5.544 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)cnc2Cl)N1 587712917 MCOYXNNMBMYJPS-UOWDBTKRSA-N 423.635 5.279 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)cc2)N1 587715048 RFFCTMGBDBPXSJ-DYZYQPBXSA-N 402.229 5.405 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(Br)c2)N1 587719783 QOWGKBXFHYCCEB-ZKANADHPSA-N 417.091 5.113 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(OC(F)(F)F)c2)N1 587723222 VSPWEUVQBHDYAG-VPTHRUTESA-N 422.191 5.250 0 1 HKAF CCn1nc(CC[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587762922 HDXVLZMNPHEMPM-SCLBCKFNSA-N 416.338 5.166 0 1 HKAF CCCc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC 587801111 IQBLADYWKAEVRF-ASSNKEHSSA-N 406.339 5.563 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccccc1-c1ccccc12 587829112 QQHPMGONPTXCNH-NPMABZOXSA-N 422.297 5.229 0 1 HKAF Cc1sc2ccccc2c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587857289 ZLZYAGFIOYHGJP-BIBXISHDSA-N 404.348 5.909 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C(=O)OC)ccc1C 587865731 HALXFMPECOONOS-UHFFFAOYSA-N 404.388 5.052 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cccnc2[nH]1 587959308 LJDIILUODXUYGX-WWMAXSSBSA-N 403.614 7.812 0 1 HKAF Cc1ccc(Br)c([C@@]2(C)NC3(CC3)Cc3ccc(Br)cc32)c1 961612164 FAIABSYRNIIZOG-SFHVURJKSA-N 421.176 5.462 0 1 HKAF COc1ccc([C@]2(C)c3ccsc3CCN2Cc2ccco2)cc1Br 962712776 OGYIQLPSLAAYHE-HXUWFJFHSA-N 418.356 5.434 0 1 HKAF CCCCC[C@@]1(CCCCC(=O)O)c2cccc(F)c2CCN1[C@@H]1CCSC1 962720237 ZZANPCKRRYJMDV-WZONZLPQSA-N 407.595 5.610 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(-c3cc(C(=O)O)ccc3C)o2)N1 962950708 HUTQIDZGOINXBJ-GYCJOSAFSA-N 400.478 5.448 0 1 HKAF COc1cc(OC)cc(-c2cc3c(cc2O)CC[C@@H]2[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]23)c1 1772586783 CYNVVRJVGBUYFM-QEUIGEMPSA-N 406.522 5.502 0 1 HKAF COc1ccc(C(c2ccc(OC)cc2)[S@](=O)Cc2csc(C3CC3)n2)cc1 1857606476 DGIWTLGDWBRTEL-MUUNZHRXSA-N 413.564 5.076 0 1 HKAF O=C(Nc1ccc(Cl)cc1)Nc1cccc(Nc2cccc(N3CCCC3)c2)c1 1857763363 KOFNITGIVOUJDS-UHFFFAOYSA-N 406.917 6.328 0 1 HKAF CCOP(=O)(OCC)[C@@H](Nc1ccc(C)cc1)c1cc2ccccc2nc1O 1857771078 OPXBYMHPFXLGBW-OAQYLSRUSA-N 400.415 5.626 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@@]12C)C(C)C 2356399285 ROTWMWMXABSNJC-OXAPSANGSA-N 424.669 7.519 0 1 HKAF COc1ccc(NC(=O)O[C@@H]2C=C[C@@H](c3c(C)nn(-c4ccccc4)c3C)C2)cc1 2356568415 AVRJSRBYUGYYNK-XMSQKQJNSA-N 403.482 5.159 0 1 HKAF CCN(CC)C(=O)CC[C@@H]1CC[C@]2(CCCN(Cc3cccc4ccccc34)C2)O1 96018799 OIAVXLKBTCXYQS-BVAGGSTKSA-N 408.586 5.002 0 3 HKAF Cc1cc(O)cc2c1O[C@@]1(C)CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@@]3(C)[C@H]1C2 6484520 LRMHPGVONLYGQD-WAQQIABFSA-N 412.614 6.024 0 1 HKAF COc1c2c(cc3occ(-c4ccc(OCC=C(C)C)cc4)c(=O)c13)OC(C)(C)C=C2 13311948 GPQZCCFYBAOMCX-UHFFFAOYSA-N 418.489 5.998 0 1 HKAF biogenic CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(OC)cc3Cl)n(C)nc12 13553409 IKESAXGEZQURKX-UHFFFAOYSA-N 414.981 6.012 0 1 HKAF CCSC(C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@H]12)SCC 14947099 QDXJDBBTILTBMC-WJHCDBIXSA-N 418.668 6.210 0 1 HKAF CCCCN(C[C@@H](c1ccccc1)C1CCCCC1)C(=O)Nc1ccc(C)cc1C 26400488 VNFFVPHQXVLHLW-VWLOTQADSA-N 406.614 7.302 0 1 HKAF Cn1cc(-c2ccc(Cl)cc2)c([C@@H](c2ccc(Cl)cc2Cl)n2ccnc2)c1 26658849 BKAGEDZBILNZHR-OAQYLSRUSA-N 416.739 6.487 0 1 HKAF O=C(O)CC[C@H](Cc1ccc(OCc2ccc3ccccc3n2)cc1)c1ccccc1 26722657 FYQQKKWEXPVKTH-HSZRJFAPSA-N 411.501 6.005 0 1 HKAF O=C(Nc1ccc(Oc2ncnc3[nH]ccc23)cc1)Nc1cccc(C(F)(F)F)c1 34962139 CRNIURWEBLRATC-UHFFFAOYSA-N 413.359 5.413 0 1 HKAF COc1nc2ccc(Br)cc2cc1[C@H](c1ccccc1)N1CCCCC1 40895321 MTKHNRGTGUMHAG-NRFANRHFSA-N 411.343 5.581 0 1 HKAF CC(C)Oc1ccc(CNC(=O)[C@@H]2CCC[C@H]2C2=NO[C@@](C)(c3ccccc3)C2)cc1 45287308 UQLXBAVXOJZDGU-JQYIIUTOSA-N 420.553 5.198 0 1 HKAF CN(C)CCOc1ccc(C(=O)C[C@H](Sc2ccccc2)c2ccccc2)cc1 72113558 NCMGYLSLFXSJND-VWLOTQADSA-N 405.563 5.733 0 1 HKAF Cc1ccc(S[C@@H](CC(=O)c2ccc(OCCN(C)C)cc2)c2ccccc2)cc1 72116431 HATWQJAAOKIDTC-SANMLTNESA-N 419.590 6.042 0 1 HKAF COc1ccc(C2=NN(C(=O)c3ccc(C)nc3)[C@H](c3ccc(Cl)cc3)C2)cc1 84704270 JEMOYIHPDNWXED-QFIPXVFZSA-N 405.885 5.044 0 1 HKAF Nc1nccn2c(C3CCC3)nc(-c3ccc(Oc4ccccc4)c(C(F)(F)F)c3)c12 96168338 ZNKUQGZGGRNDOB-UHFFFAOYSA-N 424.426 6.057 0 1 HKAF Cn1c(S(=O)(=O)C(F)(F)c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1 96914890 AOVGEXZVNFOMFU-UHFFFAOYSA-N 424.472 5.277 0 1 HKAF Cc1[nH]c2ccccc2c1[C@H]1CC[C@H](N2CCN(c3cccc4[nH]ccc34)CC2)CC1 101181255 ORDLTNPENGIZSO-OYRHEFFESA-N 412.581 5.806 0 1 HKAF CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 104004232 CKJBODZUSQSOBJ-NRFANRHFSA-N 407.901 5.490 0 1 HKAF [C-]#[N+]c1ccc(N2C(=O)[C@@](C)(CF)N(c3ccc(C)cc3)C2=S)cc1C(F)(F)F 167760109 ZHALOWHQZIVHHB-LJQANCHMSA-N 421.419 5.431 0 1 HKAF N=C(CC1CCCCC1)[P@@](=O)(O)C[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O 169718201 JPDOHTKUERKCPC-CQSZACIVSA-N 420.273 5.455 0 1 HKAF CCC[C@H]1CC(=O)[C@@H]2C(=NC(C)=C(C(=O)OCC)[C@@H]2c2ccc(C(C)(C)C)cc2)C1 169728300 VCSIYSHHCXOHRI-CQLNOVPUSA-N 409.570 5.755 0 1 HKAF CN[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@@H](C)N(C)C)[C@H](O)C[C@]4(C)[C@H]3CC[C@H]2C1(C)C 257469524 KYQBSELITRKZKQ-CKSDSUCISA-N 418.710 5.180 0 1 HKAF CC(C)=CCC/C(C)=C/C/C=C(\C)[C@H]1CC[C@H]2[C@@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@]21C 473128133 YRLSPFMOGLJPJU-BCOSKGINSA-N 424.713 8.853 0 1 HKAF Brc1ccc(Br)c2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc12 586887314 SWHXRYTUUIGVCK-KPZWWZAWSA-N 418.132 5.459 0 1 HKAF Oc1c(-c2nc3c(Br)ccc(Br)c3[nH]2)ccc2c1CCCC2 586899346 YQSNUCXIBIFNBJ-UHFFFAOYSA-N 422.120 5.339 0 1 HKAF Cc1c(-c2cccc(Br)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586984375 KCEGTYHPEBOIPP-UHFFFAOYSA-N 416.274 5.890 0 1 HKAF O=C1c2ccccc2-c2cc([C@@H]3C[C@H]3c3ccc(Cl)s3)nc3ccc(O)c1c23 586994482 USUJJQPPINGYHP-ZIAGYGMSSA-N 403.890 6.138 0 1 HKAF Ic1ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2c1 587025321 IBUSTDIYABOMSK-UHFFFAOYSA-N 402.260 5.563 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncc(C(F)(F)F)cc4[nH]3)c21 587032070 YOUGVNILKBPNBC-NSHDSACASA-N 402.445 5.936 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5c(C)nc(C)cc5[nH]4)c23)cc1 587040284 YFBXSJWRIAUWKN-UHFFFAOYSA-N 417.563 5.847 0 1 HKAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(C)c(C)cc3[nH]2)c1 587048130 FJMBDLDZXBQMQS-CMDGGOBGSA-N 410.905 5.224 0 1 HKAF Cc1cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2cc1Br 587062111 CBCLIFNRCSOGBF-UHFFFAOYSA-N 411.730 6.545 0 1 HKAF Clc1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cn1 587063887 BVOLZXNJDNCINC-UHFFFAOYSA-N 423.303 5.965 0 1 HKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c2)cc1 587067656 JJTLZEQFLNOOAH-UHFFFAOYSA-N 404.684 5.744 0 1 HKAF COc1cc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1F 587071368 KMJLXRQFWRPOOL-QFTHKXHQSA-N 405.300 6.384 0 1 HKAF Cc1cnc2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2c1 587075938 LAJMAERJAJWMGL-LGMDPLHJSA-N 422.919 6.622 0 1 HKAF FC(F)(F)c1cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2cc1Br 587084491 NYNBIVWBPLHHDA-UHFFFAOYSA-N 416.628 5.473 0 1 HKAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc(C(F)(F)F)c2[nH]1 587112359 IVGKLCZCUSJUMK-QGZVFWFLSA-N 415.337 5.000 0 1 HKAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(C)cc4[nH]3)nc2n1 587114852 KJPLVJGCZVFMOZ-UHFFFAOYSA-N 405.449 5.337 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587189968 FMXOQPOGADKGKG-KRWDZBQOSA-N 406.313 5.826 0 1 HKAF CCOC(=O)c1ccc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2c1 587247061 GDMOKJBHOSYBKR-UHFFFAOYSA-N 401.466 5.154 0 1 HKAF C[C@@]1(CCc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327169 FHYRTMCIAGBKAW-VWNXMTODSA-N 410.872 5.935 0 1 HKAF CCCC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332923 KIUOAZJQERHWER-UKILVPOCSA-N 408.444 6.115 0 1 HKAF CCC[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353489 QTJHNLSQVJTQOM-NOZRDPDXSA-N 406.453 5.594 0 1 HKAF CCOC(=O)C1(c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)CCCC1 587361850 CPSIJQWFROWFGB-UHFFFAOYSA-N 415.489 6.032 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)c(OCC)c1)CC2=O 587456126 KZLKYSFDNRDGPS-SFHVURJKSA-N 405.288 5.212 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-c3ccc(C)c(Cl)c3)c1)CC2=O 587459652 CLJDCVWMBQNBNR-SANMLTNESA-N 420.936 6.854 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3ccccc3OC)o1)CC2=O 587482999 QEQQXKCSTMHSHK-HSZRJFAPSA-N 408.450 5.232 0 1 HKAF C[C@]1(c2cnc(Nc3ccc(F)cc3)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587510891 YVGIFITXIWZFDS-HSZRJFAPSA-N 408.498 5.785 0 1 HKAF COc1ccc(-c2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1OC 587535030 HOHAIRYEONSBAP-NRFANRHFSA-N 421.518 5.413 0 1 HKAF C[C@]1(c2cc(Br)cs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610787 DWEKEXVLCPQKPM-VQIMIIECSA-N 417.280 5.093 0 1 HKAF CCc1c(-c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[nH]c2ccc([C@H](C)CC)cc12 587638939 KFVBRHGUHGIQDO-LLVKDONJSA-N 411.760 6.792 0 1 HKAF Cc1cc2c(c(C)c1Cl)[C@]1(CCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587693570 DWXVRQBJIFOWBA-GIPWTMENSA-N 424.741 5.419 0 1 HKAF CC[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587709883 CUSCTECYXHVDJH-ZMZPIMSZSA-N 416.256 5.795 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2C(F)(F)F)N1 587711282 JOBBZZGMEUAEQA-BCTVWOGZSA-N 406.192 5.370 0 1 HKAF CC[C@]1(c2ccc(OC(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587715628 HZLOOCDNARJCIA-JEOXALJRSA-N 414.265 5.377 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(F)cc2)N1 587729763 DGCDTKKEPUEEHF-JLCFBVMHSA-N 414.293 5.553 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccnc1 587748971 CHGYPYUJNRNXFQ-XUSGNXJCSA-N 414.322 5.014 0 1 HKAF Cc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587757063 ULQJUCJFKOZXSA-QRQCRPRQSA-N 413.334 5.619 0 1 HKAF CCOc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCC)c1 587801540 LKVGLYKFQZFOHU-ZSEKCTLFSA-N 422.338 5.183 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C)c2ccc(C)c(C)c2n1 587863374 YTOPOAHKKLOROY-UHFFFAOYSA-N 411.427 6.040 0 1 HKAF Brc1ccccc1CNn1c(-c2ccccc2)ccc1-c1ccccc1 587940573 MAJDCKCKRORNHT-UHFFFAOYSA-N 403.323 6.328 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(O)cc2[nH]1 587958770 HVWCNTFCNACRBA-WWMAXSSBSA-N 418.625 8.123 0 1 HKAF CC[C@H](C)Oc1ccccc1[C@H]1c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962631430 DVSWRGGRJQUPRI-YGZVCBRSSA-N 412.577 5.700 0 1 HKAF CC(C)[C@@]1(CCc2ccccc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962640398 QUZMVWVERRXLGM-YTMVLYRLSA-N 410.605 5.918 0 1 HKAF C[C@@H](c1ccc(C(F)(F)F)cc1)[C@H]1c2ccsc2CCN1Cc1cccnc1 962995234 MPLUYUVFMBSYAO-BTYIYWSLSA-N 402.485 6.065 0 1 HKAF CC(=O)OC1=C(c2cnc3ccccc3c2)Oc2cc3ccccc3cc2-n2cccc21 1857546423 KBEHTEGCAHJHQJ-UHFFFAOYSA-N 418.452 5.960 0 1 HKAF Cc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1ccnc(N2CCOCC2)n1 1857761749 DLOLRKSFEHDOLV-UHFFFAOYSA-N 414.534 5.079 0 1 HKAF CN(Cc1ccc2[nH]ccc2c1)C(=O)CCc1cccc(-c2nc3ccccc3[nH]2)c1 1911575782 BXLDXAALJSKSHY-UHFFFAOYSA-N 408.505 5.302 0 1 HKAF CC[C@@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356501713 KYOFIJXMVNQYFC-DZRZADDHSA-N 412.702 8.233 0 1 HKAF CC[C@H](C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 2356747512 ATHNEOVVWTUWBM-FSOAZURTSA-N 414.718 7.881 0 1 HKAF CC(C)C=CCC=C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356792142 JJDHLKGFUBGROW-JZQQPFIGSA-N 410.686 7.721 0 1 HKAF O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2ccc(F)c(F)c2)c2ccoc12 61930881 IFQVDCIDEZQNFV-UHFFFAOYSA-N 417.333 6.649 0 3 HKAF O=C(c1cccnc1)N(Cc1ccccc1)[C@H](c1ccccc1)c1nc2ccccc2[nH]1 95568499 SJXSLLHXFUHNNL-RUZDIDTESA-N 418.500 5.390 0 3 HKAF NC(=O)c1ccc2c(c1)[C@H](NCc1cccc(C(F)(F)F)c1)CC1(CCCCC1)O2 763334 UIFXEVFNUBAGNJ-LJQANCHMSA-N 418.459 5.121 0 1 HKAF CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 5837803 AEOWFQHMVVCALP-RUZDIDTESA-N 410.989 6.491 0 1 HKAF CN(C)CCCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 8536370 PZMFDOCJIRZYEY-UHFFFAOYSA-N 416.500 5.275 0 1 HKAF CCCC[C@H](c1ccccc1)N(CCC)c1nc(-c2ccc(OC)cc2C)n(C)n1 13610711 XLEAWWFFZMNYAE-HSZRJFAPSA-N 406.574 5.947 0 1 HKAF c1ccc(C(OCCC2CCN(CCCc3cccnc3)CC2)c2ccccc2)cc1 13778623 DCJVMJIANHUMED-UHFFFAOYSA-N 414.593 5.923 0 1 HKAF CC(C)=CCC[C@]1(C)/C=C/[C@H](OC(=O)C=C(C)C)[C@]2(C)O[C@@H]2CC/C(CO)=C\C1 14828782 FUGMARDYCOVINL-UDAMVHDBSA-N 402.575 5.433 0 1 HKAF O=C(O)CCC/C=C/C[C@@H]1[C@@H](COCc2ccccc2)[C@@H]2C[C@@]1(c1ccccc1)CO2 26013127 ZREITZXFTXLALN-LKGWGQOUSA-N 420.549 5.377 0 1 HKAF c1ccc(C(c2ccccc2)[C@H]2CC[C@H]3CN2CCN3c2cccc3ccccc23)cc1 28392038 QVYKCXRORLVKGF-LITSAYRRSA-N 418.584 6.325 0 1 HKAF CCCN1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccc(F)cc3)=NN12 38147837 UHFRRFCLRIADKD-NRFANRHFSA-N 413.924 5.225 0 1 HKAF COc1ccc(Nc2c(C(C)C)ccc3c2C[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)C3)cc1 40865276 AHBQXDHDGLSMFN-XSBVVTFOSA-N 421.581 6.558 0 1 HKAF O=C1[C@H](Cc2ccccc2)N=C(C2CCCCC2)c2ccccc2N1Cc1ccccc1 66136672 MOIZXJAFRJATCU-SANMLTNESA-N 422.572 6.214 0 1 HKAF CC(=O)c1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2 71789431 GWXUFWHMPOHKOC-UHFFFAOYSA-N 424.540 6.875 0 1 HKAF Fc1ccc(Oc2cncc(NCCc3ccc(Oc4ccccc4)cc3)n2)cc1 82068681 UXDNAIJJABDIJX-UHFFFAOYSA-N 401.441 5.855 0 1 HKAF CCCC[C@H](CC)CNc1nc(NC2CCCCC2)c2cc(OC)c(OC)cc2n1 82124960 HNEFUVWQQJFPGY-KRWDZBQOSA-N 414.594 6.020 0 1 HKAF O=C(c1cccc2ccccc12)N1Cc2ccccc2C[C@@H]1CNCc1ccccc1 84669129 ZTTGXIOPBRMOBF-RUZDIDTESA-N 406.529 5.197 0 1 HKAF Cc1cc(Cl)ccc1C1=N[C@@H](CC(N)=O)c2onc(C)c2-c2sc(C)c(C)c21 96284456 MCCFTCOHZYUCJM-HNNXBMFYSA-N 413.930 5.058 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H]1[C@@H](O)CCC[C@H]1O 101448140 XZCGVHQBCITDBO-LBYHVNQJSA-N 418.618 5.950 0 1 HKAF COc1ccccc1Nc1nnc(Nc2nc(-c3ccc(Cl)cc3)cs2)s1 103167674 YGXOIIITTGQOCP-UHFFFAOYSA-N 415.931 5.811 0 1 HKAF Fc1ccc2nc(Nn3c(-c4ccc(Cl)cc4)nnc3-c3cccnc3)sc2c1 103196068 ZOBZEPZQFJLUAY-UHFFFAOYSA-N 422.876 5.285 0 1 HKAF Cc1cccc(N[C@@H](c2ccco2)P(=O)(Oc2ccccc2)Oc2ccccc2)c1 103198393 RKAAKCZLEIMALG-XMMPIXPASA-N 419.417 7.050 0 1 HKAF COc1c(Cl)cc(Cl)cc1[C@H]1Nc2ccccc2N=C2CC(C)(C)CC(O)=C21 103897936 DDWXMSAQNRVULC-HXUWFJFHSA-N 417.336 6.873 0 1 HKAF FCCc1ccc([C@@]2(c3cccs3)C[C@@H]3c4ccccc4[C@@H]2c2cccc[n+]23)s1 169352022 NMLFXWQVLHDUDJ-SDUSCBPUSA-N 418.582 6.034 0 1 HKAF CC(C)=CCC/C(C)=C\C=C\C1=C[C@@]2(C)C[C@@]1(C)[C@@H](/C=C(\C)CCC=C(C)C)CC2=O 169355797 XWYRFBXKAWNVEG-TYSDMYQHSA-N 420.681 8.860 0 1 HKAF C/C=C/c1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2OCC)c1 224880370 PJKHPLDJDHQEAC-XCVCLJGOSA-N 400.478 5.623 0 1 HKAF CC(C)[C@H]1CC[C@@]2(C)C1=CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C 255201977 CFXLJOUEZZQVSK-XIHUCVDXSA-N 410.730 9.054 0 1 HKAF Cc1cc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586878627 HRIWHAJVTAAWIJ-UHFFFAOYSA-N 412.424 5.228 0 1 HKAF C[C@@H](SCc1ccccc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586960253 AHCJLALJYADWCQ-OAHLLOKOSA-N 401.560 6.834 0 1 HKAF O=[S@](Cc1nc2cc(F)c(F)c(F)c2[nH]1)C(c1ccccc1)c1ccccc1 586961836 YIJQIWNAAUVADK-MUUNZHRXSA-N 400.425 5.019 0 1 HKAF Cc1cnc2[nH]c(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)nc2c1 587014317 PQWBEGKCCRPXEH-UHFFFAOYSA-N 421.526 5.328 0 1 HKAF Clc1cc(Br)c2[nH]c(-c3cnc(Cc4ccccc4)s3)nc2c1 587021098 FIWLIJQVBQAOTM-UHFFFAOYSA-N 404.720 5.693 0 1 HKAF CS(=O)(=O)c1ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2c1 587048298 RZMBEWUXEYGCBP-UHFFFAOYSA-N 417.317 5.607 0 1 HKAF Cc1cc(Br)cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 587080012 MNPXSWSGABSRSM-CQSZACIVSA-N 403.711 5.011 0 1 HKAF Fc1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2c(F)c1F 587082590 SEOAWMNRTTWEQP-UHFFFAOYSA-N 409.798 6.516 0 1 HKAF CC(=O)n1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c2cc(C)cnc21 587105364 ZREJCVWAGSIUJW-UHFFFAOYSA-N 403.441 5.431 0 1 HKAF Cc1cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2cc1Br 587122202 SUBOSAJGUMGNMF-UHFFFAOYSA-N 411.181 5.076 0 1 HKAF Cc1cc2nc(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)[nH]c2cc1C 587131054 WBCYMUQRURDJGN-UHFFFAOYSA-N 419.435 5.397 0 1 HKAF CC(C)(C)c1cccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c12 587141624 XPINLXIIZIKDRF-UHFFFAOYSA-N 408.517 7.098 0 1 HKAF CC(C)[C@@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)N(C)C 587198492 GUVIDNPFHFIWSH-IBGZPJMESA-N 402.336 5.163 0 1 HKAF Cc1cc(C)c2c(N)c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)sc2n1 587208607 VXXDGTKYTPJUPV-UHFFFAOYSA-N 407.498 5.922 0 1 HKAF Cn1c(O)cc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 587341211 IXLKFNHGTUCZAV-ILBGXUMGSA-N 417.436 5.003 0 1 HKAF COc1cccc(-c2c([C@H](C)C(=O)OC(C)(C)C)cnc3c2oc2ccccc23)c1 587362816 LACFXSOVMUMXSR-HNNXBMFYSA-N 403.478 6.102 0 1 HKAF COc1cccc(-c2cc(-c3ccc([C@@H](C)OC)cc3)nc3c2oc2ccccc23)c1 587362865 MCUWLBLMAUDPCJ-QGZVFWFLSA-N 409.485 7.031 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(C)c(C)c2OCC3)c1 587367368 WBSGXPCBWLCBQE-UHFFFAOYSA-N 421.496 6.875 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccc(C(F)(F)F)cc4)s1)[C@@H](C2)C3=O 587420185 DYQMFNYRXCFPDJ-LIRRHRJNSA-N 417.408 5.326 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1OCc1ccccc1C)[C@@H](C2)C3=O 587443773 PQTBSFFJKNIPAU-CPJSRVTESA-N 416.473 5.080 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(C)C)c(Br)c1)CC2=O 587455580 DFUKNCJFNLJSPP-HXUWFJFHSA-N 419.315 5.601 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3ccc(Cl)c(Cl)c3n1)CC2=O 587462793 SZBIXRFPDOSTRH-GOSISDBHSA-N 402.277 5.906 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](c2ccc(F)cc2)Nc2ccccc21 587472405 PTKKTTNDRRBRCF-NVQXNPDNSA-N 417.480 5.901 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(Cc3ccc(C)cc3)c1C)CC2=O 587476226 QNKATQZGMHFSDY-HSZRJFAPSA-N 404.510 5.221 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3cccc(C(=O)O)c3)c1)CC2=O 587488409 IVPOPLWBKMBFQL-HSZRJFAPSA-N 402.446 5.416 0 1 HKAF CCCc1sc([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1Br 587489878 FBMSBSWZBKBFCG-FQEVSTJZSA-N 423.372 6.002 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cccc(C(=O)O)c3)cc1)CC2=O 587491411 VIXKBGPFPVQOIN-HSZRJFAPSA-N 402.446 5.416 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cnc(OC)c(C)c3)s1)CC2=O 587493409 GWYNKSBBPZXALV-LJQANCHMSA-N 409.507 5.492 0 1 HKAF O=C1C[C@@](CCc2ccccc2)(C2(O)CCCCC2)Oc2c1ccc1c2CCCC1 587533614 RRZBUSXWPLHEKY-MHZLTWQESA-N 404.550 5.597 0 1 HKAF C[C@]1(c2c(Cl)[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553235 UPINJRPYCYWHRJ-AUSIDOKSSA-N 405.837 5.404 0 1 HKAF O=Cc1ccc([C@@]2(C3CCCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587602915 LOSNWQCWGCOLFV-JYFHCDHNSA-N 414.457 5.252 0 1 HKAF COc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)(F)C(F)(F)F)cc1 587630257 XAZPOGFDESADGK-UHFFFAOYSA-N 421.724 6.016 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](C)C(F)(F)F)N1 587712207 ZZVYAJGLQKIBOS-FMTVUPSXSA-N 416.256 5.564 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(Cl)cc2Cl)N1 587713870 DFNYCPZAYUESAR-HYORBCNSSA-N 407.085 5.658 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OC(F)(F)F)N1 587722216 RPNFINLZQJMINU-ABKXIKBNSA-N 404.201 5.110 0 1 HKAF CC(C)[C@@]1(c2ccc(Cl)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587724159 DZXDIUJWDRKHGQ-WYRIXSBYSA-N 414.721 5.815 0 1 HKAF CC(=O)c1cccc(CC[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F 587725995 HEECRGQOJLAMCS-WYRIXSBYSA-N 408.286 5.138 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn(-c3ccccc3F)c2)N1 587728466 SIVIAVRSYXCVKC-ODXCJYRJSA-N 403.270 5.142 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC=C2NNc2ccccc2)N1 587749163 NHDHDBTXDBOTOS-LHSJRXKWSA-N 416.338 5.002 0 1 HKAF CCCOc1ccc(CC)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587798465 YCHFMUHYRRAUNG-YEJXKQKISA-N 406.339 5.563 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCOc3cc4c(cc32)CCC4)N1 587834806 MIEBGDWQMPQQCA-WHEQGISXSA-N 416.334 5.027 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ccsc3)n2)N1 587851684 ILWMATWMOZLQEA-JDNHERCYSA-N 409.349 5.397 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccsc3)n2)N1 587852339 FQLSMZVYHBOJSN-NSPYISDASA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccccc1Cl 587863514 AXAKKYPXEWOWSV-UHFFFAOYSA-N 424.806 5.340 0 1 HKAF CCc1cccc(C)c1NC(=S)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587869905 UEALSUGKONYIGW-UHFFFAOYSA-N 420.460 5.088 0 1 HKAF Cc1ccc(OCc2cccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)c2)c(C)c1 587874105 ULWOEPQAASBJMR-UHFFFAOYSA-N 414.436 5.679 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)c2)cc1 587935580 OJKFAUXNUDLMEX-UHFFFAOYSA-N 423.266 5.366 0 1 HKAF O=C(NCc1ccc(Cl)c(F)c1Cl)c1ccc2[nH]nc(-c3ccncc3)c2c1 653849923 XCHPMRIRNSGKEK-UHFFFAOYSA-N 415.255 5.001 0 1 HKAF Clc1cccc(-n2c(-c3ccccc3)c(-c3ccccc3)c3c(Cl)ncnc32)c1 653851615 DYQILZXZUPISEA-UHFFFAOYSA-N 416.311 7.061 0 1 HKAF Cc1cc2c(cc1F)[C@H](c1ccc(-c3ccc(-c4cccs4)s3)s1)NCC2 962369888 BTFRHOKJYHCEFR-JOCHJYFZSA-N 411.592 6.888 0 1 HKAF COc1c(C)cc([C@]2(C)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cc1C 962948489 AIBRHTJWAWQQLK-QFIPXVFZSA-N 419.487 5.246 0 1 HKAF Cc1ccc(CC[C@@]2(c3cc(F)cc(Cl)c3)NCCc3nc4ccccn4c32)cc1 962984904 OMMQGUWXZQLQMV-VWLOTQADSA-N 419.931 5.457 0 1 HKAF Cc1cccc([C@@]2(c3ccc(Cl)c(Cl)c3)NCCc3nc4ccccn4c32)c1 962985447 OZPLMZGDFQTDRO-QHCPKHFHSA-N 408.332 5.387 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CC(C)(C)C)c1ccccc1C(=O)OCC 963227657 KAZXHHCGDBHQLV-CCLHPLFOSA-N 407.598 6.200 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1ccc(-c2ccc(C)cc2Cl)cc1 963244597 WRNUSCGYZQKVGT-DCFHFQCYSA-N 403.997 7.236 0 1 HKAF COc1cccc(CC[C@H]2CN(Cc3c[nH]c4cc(OC)ccc34)CCC2(F)F)c1 1772580810 IBYSHYLECOPGNW-IBGZPJMESA-N 414.496 5.275 0 1 HKAF Nc1c([S@](=O)CCCF)sc2nc(-c3cccs3)cc(-c3ccccc3)c12 1772620122 CXQJAEMPTJFPNP-HHHXNRCGSA-N 416.568 5.741 0 1 HKAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C3(O)CCCC3)cc21 1857612239 DFOVAJCLKBBSHZ-UHFFFAOYSA-N 412.533 5.102 0 1 HKAF Cc1cccc(-c2ccc([C@H](C)Nc3cncc(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)c1 1857647746 SXRIGDKFLSRURD-PGRDOPGGSA-N 416.525 5.606 0 1 HKAF CC(C)=CCC[C@]12C(=O)CC[C@H](C)[C@]1(C)CC[C@](C)(O)[C@H]2Cc1c[nH]c2ccccc12 2356334629 KPIWQVIPQWGFNG-PWYBXAIBSA-N 421.625 6.610 0 1 HKAF CC(C)[C@@]1(C[C@@H](C)[C@@H]2CC[C@@H]3C4=CC[C@@H]5C[C@@H](N)CC=C5CC4=CC[C@@]32C)C=NCC1 2356399929 KQZKJUXZBIWAKG-VVKBFBAWSA-N 420.685 6.876 0 1 HKAF COC(=O)CCC(=O)OC[C@@H]1CC[C@]2(C)C(C)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1 2356617056 OYHUVLDVWBMUEA-MHOPESGUSA-N 416.558 5.488 0 1 HKAF CC(=CCCC(C)=CCC[C@]1(C)C=Cc2cc(O)cc(C)c2O1)CCC=C(C)C(=O)O 2356786986 BDTFDPRRJCCONP-HHHXNRCGSA-N 424.581 7.129 0 1 HKAF CC(=CCCC(=CC(=O)O)C(=O)O)CCC=C(C)CC[C@@H]1[C@H](C)CCCC1(C)C 2356826416 HXBOSQKHNKUOJW-IFMALSPDSA-N 404.591 6.778 0 1 HKAF O=C1[C@@H](n2ccc3ccccc32)c2cccc(F)c2N1Cc1ccc(C(F)(F)F)cc1 206025574 VINDBWLATZKMJP-QFIPXVFZSA-N 424.397 5.935 0 3 HKAF COc1ccc(Br)cc1-c1onc(C(C)(C)C)c1C(=O)N[C@@H](C)C(C)C 775994 BYWMQCZRVVNDPJ-LBPRGKRZSA-N 423.351 5.185 0 1 HKAF O=C(NC1CCCCC1)c1c(-c2ccccc2F)noc1-c1cccc2ccccc12 2482321 BJCRSQKFOPNZHK-UHFFFAOYSA-N 414.480 6.363 0 1 HKAF CC1(C)C[C@H](NCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 5069703 PZURXKVDEJINQZ-QHCPKHFHSA-N 418.512 5.148 0 1 HKAF Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccccc3)CC2)CC1 13474973 SFQVZFORUREWSK-UHFFFAOYSA-N 404.598 5.253 0 1 HKAF CCCc1cc(=O)oc2c3c(c4c(c12)O[C@H](c1ccccc1)C=C4)OC[C@@H](C)C3=O 29133418 JZQJFDHWXUEDTM-KDOFPFPSSA-N 402.446 5.104 0 1 HKAF Cc1ccccc1-c1ccc(/C=C/[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3C[C@H](O)CC[C@H]32)nc1 34802897 JNCSTKPNBWVWMX-VRMJDYDTSA-N 417.549 5.045 0 1 HKAF CO[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)/C=C/c2ccccc2)[C@@H]2CCc3cc(O)ccc3[C@@H]12 35242324 YMYKNMQIMCLSTQ-VJVLVSNPSA-N 404.550 5.318 0 1 HKAF CCC[C@@]1(c2ccc(F)cc2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F 36479193 UMSZZDWDDFJAIH-GOSISDBHSA-N 400.803 5.933 0 1 HKAF CN(C)CCCC(=O)c1ccc2sc3ccc(C(=O)CCCN(C)C)cc3c2c1 39208147 WYQZWZLGSRXQFP-UHFFFAOYSA-N 410.583 5.104 0 1 HKAF COC(=O)c1cc(-c2ccnc3ccccc23)c2ncc(-c3ccc(OC)cc3)cn12 40394356 ODHYIKPFXHOOSS-UHFFFAOYSA-N 409.445 5.012 0 1 HKAF COc1cc(Nc2cncc(Sc3cccc4ccccc34)n2)cc(OC)c1OC 40936889 BDJYSNDBFUBGRJ-UHFFFAOYSA-N 419.506 5.550 0 1 HKAF CCC[C@@H](C(=O)O)c1cc(Oc2ccccc2)cc(-c2ccc(C(F)(F)F)cc2)c1 64624674 YUKWJJUIYSFQHR-JOCHJYFZSA-N 414.423 7.133 0 1 HKAF in-vitro CCCC(CCC)C(=O)N[C@H]1CC[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@@H]12 84668852 UVQBVPXKEBCYIC-TYPHKJRUSA-N 410.524 5.248 0 1 HKAF Cc1cc(C2=NN(C(=O)NC3CCCCC3)C[C@H]2Cc2ccccc2)ccc1Cl 95579395 KSZPIHAXMHBLHP-HXUWFJFHSA-N 409.961 5.569 0 1 HKAF O=c1c2ccccc2sn1[C@H](Cc1ccccc1)c1nnc(-c2cccc(F)c2)o1 95593946 OVBIHZQBCFSSJC-LJQANCHMSA-N 417.465 5.084 0 1 HKAF COc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn23)cc1 96168183 AJBATNKYSNPWJH-UHFFFAOYSA-N 408.461 5.446 0 1 HKAF Cc1cccc(-c2nc3ccccc3nc2OC2CN(c3ccc4ccccc4n3)C2)c1 96168821 MKHXDBHRHWGONV-UHFFFAOYSA-N 418.500 5.421 0 1 HKAF O=P(O)(O)C(F)(F)c1ccc(-c2cccc(Cc3ccc(Cl)cc3)c2)cc1 96284989 SNCQNFSYTYUVHU-UHFFFAOYSA-N 408.768 5.825 0 1 HKAF Cc1ccc([C@H]2N=C(N3N=C(c4ccccc4)C[C@@H]3c3c(F)cccc3F)S2)cc1 98082628 ZTICLBINCVAKSL-GGAORHGYSA-N 419.500 6.226 0 1 HKAF CC/C(=C(\c1ccccc1)c1ccc(OC(C)=O)cc1)c1ccc(S(C)(=O)=O)cc1 103167736 HZBFZJMKHVRKPU-IZHYLOQSSA-N 420.530 5.385 0 1 HKAF C[C@@H](Nc1ccccc1)[C@H]1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 117307014 XKXGPCJOUDRYIM-RKVPGOIHSA-N 424.894 6.148 0 1 HKAF CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1 118869467 LAVPQYWZXNNFLD-UHFFFAOYSA-N 424.331 5.801 0 1 HKAF N=c1ccc(Cl)cn1CCCCCCCCCCCCn1cc(Cl)ccc1=N 143873012 PBOCUTWKYNKIPO-UHFFFAOYSA-N 423.432 6.157 0 1 HKAF Clc1cnc2[nH]c([C@H]3CCCNC3)cc2c1-c1cccc(NCc2ccccc2)n1 220184662 XGHGQKIHOZHNQX-KRWDZBQOSA-N 417.944 5.357 0 1 HKAF CC(C)=CCC[C@@]12[C@@H](Cc3c[nH]c4ccccc34)[C@@H](C)CC[C@]1(C)[C@@H](C)CC[C@H]2O 238776097 FPEXNLMEEYKYDQ-MFTJFIPNSA-N 407.642 7.286 0 1 HKAF Clc1ccc2c(Nc3ccc(CN4CCCC4)c(-c4ccccc4)c3)ccnc2c1 473117877 IZLFEOUPCGOGBU-UHFFFAOYSA-N 413.952 6.895 0 1 HKAF O=Cc1ccc(OCc2occc2-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 586901198 QXDHRLLBYMRGIQ-UHFFFAOYSA-N 424.456 5.793 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(Cl)c(Cl)c3O)nc3ccc(O)c1c23 586984925 CCDHXMDSROJOPM-UHFFFAOYSA-N 408.240 5.831 0 1 HKAF Cc1ccc2c3c(c(Cc4c(Cl)cccc4Cl)cnc13)-c1ccccc1C2=O 586992959 GSOMSZPHGXFPDZ-UHFFFAOYSA-N 404.296 6.652 0 1 HKAF Fc1c(Br)cc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1F 587004965 GOHLWKBKDRDRLI-UHFFFAOYSA-N 423.442 5.082 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c1 587016048 NTFNZVUZIWJVHN-UHFFFAOYSA-N 412.312 5.359 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc3c(cc2[nH]1)OCCCO3 587035233 QPSSZALUSSLWLP-HNNXBMFYSA-N 421.522 5.210 0 1 HKAF CN(C)C(=O)c1ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2c1 587048314 SGNIHFYOZALCRI-UHFFFAOYSA-N 410.304 5.906 0 1 HKAF Fc1cc2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2cc1Br 587082843 XWAYFVATUDUMHF-UHFFFAOYSA-N 421.657 5.018 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1ccc3ccccc3c1OCC4)-c1ccccc1C2=O 587100674 DXAZXNSWZHEZGP-UHFFFAOYSA-N 413.476 6.510 0 1 HKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)cc1 587159287 XBMPDDGMQYNYEQ-UHFFFAOYSA-N 400.388 5.173 0 1 HKAF O=C(CCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1ccc(F)cc1 587163705 RQDJDEFGYIGBSJ-UHFFFAOYSA-N 401.466 5.794 0 1 HKAF C[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(F)ccc2O1 587330828 FZXSKVMWOQJZRZ-IKGTYDGASA-N 408.400 5.096 0 1 HKAF CCOc1ccc([C@@]2(CC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587347547 FEUXUVYDEINCKW-ILBGXUMGSA-N 406.453 5.594 0 1 HKAF CCOC(=O)[C@H](C(C)=O)c1c(C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587363057 PDFUZUKVWXWCCC-OAQYLSRUSA-N 417.461 5.201 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(/C=C/c3ccoc3)oc3ccc(O)cc13)O2 587415000 XLOJGKHXWVMFMN-WYAMSBGYSA-N 401.418 5.499 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(CN(CC)CC)c1)CC2=O 587467131 CUNXPJOSMIDJAN-VWLOTQADSA-N 411.542 5.076 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC=C(C)C)c(OCC)c1)CC2=O 587481706 RPQZBVVKEULKAA-HSZRJFAPSA-N 410.510 5.795 0 1 HKAF O=C1C[C@@](Cc2ncc[nH]2)(c2ccc(Cl)cc2F)Oc2c1ccc1c2CCCC1 587505170 LBZOCAQWLSEONH-HSZRJFAPSA-N 410.876 5.184 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(Cl)cc1 587551537 GPLRXQDEPRCCPU-QPPBQGQZSA-N 417.848 5.539 0 1 HKAF C[C@]1(c2cccc(-c3ccncc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588280 SDMONQNDJZXWOE-ZEQKJWHPSA-N 409.441 5.331 0 1 HKAF Cc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587708824 DZXBEKXPQWHZSM-GTNSWQLSSA-N 402.229 5.237 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=Cc3ccc(N)c4cccc2c34)N1 587744972 IPWSVRJUURASTE-IPQOISQHSA-N 409.302 5.128 0 1 HKAF CCCOc1cccc(Cc2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)c1 587777531 ANGZLLQLOASGRR-UHFFFAOYSA-N 416.477 5.521 0 1 HKAF CCOc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCC)c1 587802200 PWOSSPSIJSPALU-ZSEKCTLFSA-N 422.338 5.183 0 1 HKAF CCCC[C@@H]1Cc2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587818151 CEBGQGIVADWWCH-SRVWHDFXSA-N 402.351 5.729 0 1 HKAF CC(C)c1ccc([C@]2(C(C)(C)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587827416 OOIKMQVNHAZIKF-PEBXRYMYSA-N 420.366 5.260 0 1 HKAF CC(C)[C@]1(CSc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587846304 QIDLEIDXQAOYCH-VLIAUNLRSA-N 408.380 5.766 0 1 HKAF O=C(CCC(=O)n1nc2cc1Oc1ccc(F)cc1-2)Nc1ccc(Cl)cc1Cl 587874303 UFYMFRPNRXUQSS-UHFFFAOYSA-N 420.227 5.161 0 1 HKAF O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)c1cccc2nc[nH]c12 653617747 AZCSFLKUENJDTO-UHFFFAOYSA-N 424.382 5.086 0 1 HKAF O=C(Nc1ccccc1)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1 653707764 OYSSRZMGKIFYKX-UHFFFAOYSA-N 401.249 5.857 0 1 HKAF Clc1cc(Cl)c2c(c1)C=C([C@@H]1NCCc3cccc(-c4ccccc4)c31)CO2 962660803 DKEHYNLBEWDVTH-QHCPKHFHSA-N 408.328 6.323 0 1 HKAF O=C(O)CCC[C@@]1(c2ccc(Cl)s2)c2ccsc2CCN1Cc1ccco1 962708727 JWOVEFDNLIDUNB-FQEVSTJZSA-N 421.971 5.613 0 1 HKAF COc1ccc(-c2cccc(C(F)(F)F)c2)cc1[C@@H](CC(=O)O)c1ncc(C)s1 1772576435 WMPZVGPFSLMUJM-QGZVFWFLSA-N 421.440 5.753 0 1 HKAF COc1ccc(-c2cc(OC(C)=O)c3c(-c4ccccc4OC)c(N)oc3c2)cc1 1772601431 UDBVXMXMXNQMLH-UHFFFAOYSA-N 403.434 5.292 0 1 HKAF O=C(O)c1ccc(-n2nc(Sc3c(Cl)cccc3Cl)c3ccccc32)cc1 1772605076 DURCFIMJGSOKDP-UHFFFAOYSA-N 415.301 6.182 0 1 HKAF CC(=O)c1cccc(OCc2nc3ccc(Oc4cc(C)c(N)c(C)c4)cc3n2C)c1 1857536429 RIDJLUVDAFRICJ-UHFFFAOYSA-N 415.493 5.346 0 1 HKAF Fc1cc(Cl)ccc1-c1ccc(Cn2nnc3c(C(F)(F)F)cccc32)cn1 1857573726 DJKPPIVKNOICOI-UHFFFAOYSA-N 406.770 5.353 0 1 HKAF COc1ccc(Sc2ccccc2-c2cn(-c3c(F)cccc3OC)nn2)cc1 1857582349 ZKONROYEGUEBQX-UHFFFAOYSA-N 407.470 5.242 0 1 HKAF CC(=O)O[C@@H]1CC(=CC[C@@]2(C)[C@@H]3CCC=C(C)[C@@]3(C)CC[C@H]2C)[C@@H](OC(C)=O)O1 2356404006 ZREAIEZMYZQUFC-AABJVZIXSA-N 404.547 5.300 0 1 HKAF CC(=O)OCc1cc(O)c2c(c1)[C@H]([C@H](C)CCC=C(C)C)C[C@@H](OC(C)=O)[C@H]2C 2356522969 AXMCHASUBUDAKX-ZNJVGYFFSA-N 402.531 5.360 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC(C)(C)[C@@H]2CC=C(C)[C@H](CC[C@@H](C)CC(=O)O)[C@@]2(C)C1 2356575200 FIDMJZXGMPOOHA-WERZEZIMSA-N 404.591 6.164 0 1 HKAF CC(C)CCN1CC2=C(C1=O)[C@]1(C)CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)O)[C@H]1CC2 2356807729 YBFBLICDGYTHKZ-SEYSYZRTSA-N 401.591 5.279 0 1 HKAF CCCCNc1c(-c2ccc(-c3cc(C(C)=O)cs3)c(OC)c2)nc2ccccn12 61959639 GIAVZYKSVAPEAZ-UHFFFAOYSA-N 419.550 6.153 0 3 HKAF Cc1c(C)c(C)c(C(=O)C2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)c(C)c1C 3833930 FCHJVVNHKCFFDZ-UHFFFAOYSA-N 402.538 5.445 0 1 HKAF O[C@H](COc1cccc2[nH]ccc12)CN1CCC(c2cc3ccccc3s2)CC1 3991707 YVOIIEQOIZEGMN-IBGZPJMESA-N 406.551 5.002 0 1 HKAF O=C(C[C@@H]1CCCN2CCCC[C@H]12)N1c2ccccc2Sc2ccc(Cl)cc21 5537499 XEJPICPNWDTWAV-FUHWJXTLSA-N 412.986 6.124 0 1 HKAF Cc1cc(O)cc2c1O[C@@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)CC2 13552124 GZIFEOYASATJEH-XXAUWVGASA-N 402.663 8.223 0 1 HKAF CCCCC[C@@H](C)C/C=C\C/C=C\C/C=C\C/C=C\CC[C@H](C)C(=O)NCCF 13766111 MHVQQJCJBNFDST-KAVAWQGWSA-N 405.642 7.490 0 1 HKAF COC(=O)c1ccc(CNc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 26951357 FZXAAPFSOWBFFA-UHFFFAOYSA-N 405.885 5.137 0 1 HKAF C[C@@H]1C[C@@H](N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 27098742 VGFZCFWVSYIXEK-KBMIEXCESA-N 410.517 5.610 0 1 HKAF CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2ccc3ncccc3c2C1 28821548 IAOGMLSADOILPN-FQEVSTJZSA-N 417.528 5.504 0 1 HKAF CCc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(Cl)cc3Cl)n2C)cc1 29125036 NVJPPNSZYVEFKO-GFMRDNFCSA-N 420.365 5.369 0 1 HKAF CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 34951214 JZVFJDZBLUFKCA-GIOUYSFASA-N 412.702 7.801 0 1 HKAF endogenous,in-man C[C@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@H](O)c2ccccc2)c1 39297348 OSWZXLQHCUXZDR-MWVDVNALSA-N 405.626 6.697 0 1 HKAF Cc1cc(F)ccc1-c1ccc(C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc1 40411668 NYRFRZQRJIRSDI-DEOSSOPVSA-N 403.497 5.623 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@@H]3CC[C@@]21C 40498159 YSWDCQJTPYALJE-GCHPYGTFSA-N 404.635 6.742 0 1 HKAF Cc1cnc(C(=O)Nc2cccc(-c3cccc(-c4nc5cccc(C)c5[nH]4)c3)c2)cn1 45230392 RXNABVVVNFYQMD-UHFFFAOYSA-N 419.488 5.556 0 1 HKAF C[C@H]1CN(Cc2cccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)c2)C[C@@H](C)O1 45302505 CQGXTFIMCBLOMJ-HDICACEKSA-N 415.512 5.645 0 1 HKAF Fc1cccc(COc2ccc(Nc3cc(-c4cccnc4)ncn3)cc2Cl)c1 66112203 LLGRWVCEOGRFJQ-UHFFFAOYSA-N 406.848 5.654 0 1 HKAF COc1ccc(CCN(C)Cc2coc(-c3ccc(Cl)cc3Cl)n2)cc1OC 72101624 BGNSHICQKOYERR-UHFFFAOYSA-N 421.324 5.340 0 1 HKAF Clc1ccc(-c2nnc3sc(Nc4ccc(Br)cc4)nn23)cc1 73196971 GZTQTBHTCHMCCU-UHFFFAOYSA-N 406.696 5.012 0 1 HKAF CC(C)[C@H](C(=O)Nc1ccc(Cl)cc1)n1c(-c2cscn2)nc2ccccc21 73390720 QQXXELPSJGSUQI-LJQANCHMSA-N 410.930 5.649 0 1 HKAF CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2C(=O)c2cccc(Cl)c2)cc1 84710759 SGHNUKOSKYHHPV-SFHVURJKSA-N 416.952 6.729 0 1 HKAF O=C(O)CCC/C=C\C[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1/C=C/[C@@H](O)COc1ccc(Cl)cc1 102177965 LXTJSOWJRUNEQA-HUFZAQBQSA-N 418.961 5.499 0 1 HKAF CCOC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@@H]1c1c(Cl)cccc1Cl 103212739 UTSMBABFEUKUEL-SFHVURJKSA-N 419.333 5.854 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118915269 CPQUIAPJXYFMHN-BTQQYVALSA-N 400.691 7.635 0 1 HKAF in-vitro CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 119250204 VETZNBAGZJYCQT-KQJFTRTDSA-N 414.674 7.102 0 1 HKAF in-man O=C(O)c1ccnc(-c2ncn(CCc3ccccc3Cl)c2-c2ccc(F)cc2)c1 225952733 GQLJLAHNTIEQPG-UHFFFAOYSA-N 421.859 5.346 0 1 HKAF C[C@@H]1CC[C@@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2C 299813352 WQLVFSAGQJTQCK-XYMDRCQISA-N 414.630 5.714 0 1 HKAF C[C@@H]1CCc2c(c3c(O)cc([C@H](C)[C@H](C)CCCc4ccc(F)cc4)cc3oc2=O)C1 299849634 OBHCTNGAKXZLER-KZNAEPCWSA-N 422.540 6.525 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c(-c3c(CC)oc4ccccc34)nc2c1 586904401 VEFWRPVCOPKNBB-UHFFFAOYSA-N 413.271 5.478 0 1 HKAF CCCCOc1cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2cc1Br 586908893 UOYDWNONAJKACA-UHFFFAOYSA-N 415.287 5.143 0 1 HKAF COc1cc(/C=C/c2nc3ccc(OC(F)(F)F)cc3[nH]2)ccc1Br 586978166 YHJHXXJYHJVZQP-XVNBXDOJSA-N 413.193 5.403 0 1 HKAF Cc1cc(Br)ccc1OCc1nc2cccc(OC(F)(F)F)c2[nH]1 586981793 UABIJDHBLDOCJY-UHFFFAOYSA-N 401.182 5.111 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1c(Cl)cc(Cl)nc1CC4)-c1ccccc1C2=O 586992422 FPKMMVAKHXLLPF-UHFFFAOYSA-N 417.295 6.222 0 1 HKAF Brc1ccc(-c2ccc(/C=C\c3nc4cc5ccccc5cc4[nH]3)o2)cc1 586998759 QJPIBUUKGWJJHD-BENRWUELSA-N 415.290 6.909 0 1 HKAF CC(C)n1c(-c2nc3c(F)cccc3[nH]2)cc(Br)c1Br 587005313 SLEOPWDYTQWGKZ-UHFFFAOYSA-N 401.077 5.276 0 1 HKAF Clc1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2nc1Cl 587041515 WMCVTBAVCOBXMA-UHFFFAOYSA-N 413.333 6.110 0 1 HKAF Clc1ccc(-n2cccc2)cc1-c1nc2ccc(I)cc2[nH]1 587048806 APYIBDSLBHFGMQ-UHFFFAOYSA-N 419.653 5.279 0 1 HKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 587062895 XWFYKQYOUGJKAY-CQSZACIVSA-N 423.694 5.296 0 1 HKAF Clc1cccc(COc2ccc(/C=C/c3nc4cnc5ccccc5c4[nH]3)cc2)c1 587070381 IDNIRTFWHBUOJQ-JLHYYAGUSA-N 411.892 6.514 0 1 HKAF Clc1cc(Br)c2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2c1 587085621 XCXQNMHZPCNUJQ-UHFFFAOYSA-N 420.097 5.756 0 1 HKAF COc1cc(-c2nc3ccc4ncccc4c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144479 ZVXXZWRNMWHUOT-UHFFFAOYSA-N 413.408 5.291 0 1 HKAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587148761 FWNLVTRTLWMYRO-VWLOTQADSA-N 409.464 6.696 0 1 HKAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587149861 NSIVNEBRZLDTGZ-IBGZPJMESA-N 401.363 5.802 0 1 HKAF CCCCOc1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c2cc1Br 587162151 TXQQFFOTIRBURS-LSDHHAIUSA-N 403.295 5.915 0 1 HKAF CC(C)[C@@H](c1nc2cc(Cl)c(Cl)nc2[nH]1)N(C)C(=O)OCc1ccccc1 587197256 BTBWTBHGHWQXIM-HNNXBMFYSA-N 407.301 5.230 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1c(Cl)sc(Cl)c1CC3 587208588 VJPVDAPJIXDVPS-UHFFFAOYSA-N 408.309 6.580 0 1 HKAF Cc1cc(=O)oc2c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c(O)ccc12 587209951 YIOGUPYAEJRLPB-UHFFFAOYSA-N 405.409 5.234 0 1 HKAF CCc1ccccc1NC(=O)c1nc2cc(Br)c(OCC(C)C)cc2[nH]1 587241581 XHZZWXKENRSUAQ-UHFFFAOYSA-N 416.319 5.175 0 1 HKAF CCCOc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587351821 VIWIKYORMLFNRX-ZCYQVOJMSA-N 406.453 5.594 0 1 HKAF COc1ccc2occ([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2c1 587358024 VIBJLELFHVJIMI-ZCYQVOJMSA-N 418.420 5.560 0 1 HKAF COc1cccc(-c2cc(-c3oc4ccccc4c3C)nc3c2oc2ccccc23)c1 587367302 VHUROPBBCVYEAX-UHFFFAOYSA-N 405.453 7.378 0 1 HKAF CCC[C@@]1(c2cc(C)sc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587377199 QXRJSTQGJFDDSC-VWNXMTODSA-N 410.510 6.264 0 1 HKAF CCC[C@]1(c2ccc(Cl)c(Br)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414082 RRBAHDCUNWOPDU-JLTOFOAXSA-N 421.718 5.554 0 1 HKAF CCc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587531379 ZQZGGCDRBYJBCR-NDEPHWFRSA-N 408.497 5.581 0 1 HKAF C[C@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545213 GXFIKIQVHBIEGD-WIYYLYMNSA-N 400.352 5.288 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c2ccccc2c1O 587555028 ZCKFIMAAIFVXRY-RDPSFJRHSA-N 418.832 5.607 0 1 HKAF CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(C)C 587597269 QLIJJFYYBSMVOL-RDGATRHJSA-N 404.462 5.617 0 1 HKAF Cc1cc(C(C)(C)C)cc(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604838 ZHBMZTFCRJFWNE-KCWPFWIISA-N 416.517 6.184 0 1 HKAF Fc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccc(F)cc2)cc1 587622469 NLKSLWSIUBDGKL-UHFFFAOYSA-N 424.248 6.419 0 1 HKAF Cc1nc2ccc(Br)cc2c(Cl)c1Cc1c(C)[nH]c2cc(F)ccc12 587633157 ZAKMJEQXXHIBDX-UHFFFAOYSA-N 417.709 6.479 0 1 HKAF CCOc1ccc(-c2nn(C(=O)CC3CCCC3)c(=O)c3ccccc23)cc1OCC 587672762 ZZODRRPYLNMXPF-UHFFFAOYSA-N 420.509 5.081 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C(Cl)c3ccccc3CC2)N1 587706093 OSUIWRPMNVSNFC-GIPWTMENSA-N 406.726 5.760 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C(F)(F)F)c2Cl)N1 587712856 RBCNVAUVQQOKHD-VPTHRUTESA-N 422.647 5.884 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(OC3CCC3)c2)N1 587715058 GVOBOPKOWYRUKV-YBTHPKLGSA-N 408.286 5.282 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(F)(F)F)ccc2F)N1 587715946 YUTZVNXWJLLYID-XYZCENFISA-N 420.219 5.544 0 1 HKAF CCCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587790749 GGLCKSRRXABNJE-ODXCJYRJSA-N 408.311 5.009 0 1 HKAF Cc1cc(C(C)(C)C)cc(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587816248 VUHOPHJJBMTRQK-IQMFZBJNSA-N 418.394 6.300 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C3CC3)oc3ccc(O)cc23)N1 587829369 QKTXYDVEYFFPOS-CFMSYZGJSA-N 416.290 5.541 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NCc1ccccc1 587860553 ZOWKJDZYICHZTF-UHFFFAOYSA-N 406.338 5.178 0 1 HKAF CC(C)(C)Oc1ccc(O)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 587938221 QQJXVZKUSQMRNW-UHFFFAOYSA-N 413.517 6.606 0 1 HKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587952636 UYXZFLVTZBWTLB-SUNKGSAMSA-N 419.285 6.391 0 1 HKAF COc1ccc2c(c1OC)[C@@H](c1ccccc1Oc1ccccc1C=O)N(C)[C@H](C)C2 962560626 CYLBJJBBVVXIIG-CRICUBBOSA-N 417.505 5.274 0 1 HKAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@]2(c1ccccc1Cl)C1CCC1 962721517 VTMTZAXOACXUEP-GAJHUEQPSA-N 401.978 5.886 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C[C@H](C)CC(=O)O)(c2ccc(C)cc2C)N1 962950709 SMZWULVWUVDQMD-AZZGJVAJSA-N 404.554 5.454 0 1 HKAF COc1ccc2c(c1)[C@](C)(c1cc3sccc3s1)N(Cc1ccc(F)cc1)CC2 963303400 PPUJORKHPLZJAW-XMMPIXPASA-N 423.578 6.432 0 1 HKAF CCOP(=O)(OCC)[C@H](N(O[C@H](C)c1ccncc1)C(C)(C)C)C(C)(C)C 1857609231 HPBKDHJVTHGBGP-AEFFLSMTSA-N 400.500 5.813 0 1 HKAF CC(=O)n1cc(C(=O)Nc2cc(C(=O)O)cc(-c3cccc(F)c3)c2)c2ccccc21 1857749258 BZUYEBXKVZECEE-UHFFFAOYSA-N 416.408 5.058 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356538428 DDJMOMHMVFXEQF-JQCIDXNDSA-N 400.691 7.923 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@@]4(C)C[C@@H](O)CC[C@]34C)[C@H]1C[C@H](CN1CCCCC1)C2=O 2356873493 YHCZRFRDIZKNKD-SIDNIDGVSA-N 401.635 5.061 0 1 HKAF O=C(c1ccco1)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1 3956148 NKTLLAFDKOAHDB-UHFFFAOYSA-N 400.522 5.469 0 1 HKAF COc1ccccc1CN[C@H]1C2CCC(CC2)[C@H]1C(c1ccccc1)c1ccccc1 13725344 MNBGJRGNTDGFDU-SOVOJBPTSA-N 411.589 6.422 0 1 HKAF CC1(C)Cc2c(-c3ccccc3)c(-c3cc(Cl)ccc3Cl)c(CC(=O)O)n2C1 13737362 CLGSJJXPPRENOX-UHFFFAOYSA-N 414.332 6.338 0 1 HKAF CO[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12 14446122 HYNBIKVBCFFGIQ-KHXVRRRFSA-N 414.674 7.222 0 1 HKAF biogenic CC[C@@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 26005874 SRCSBMBYPRHSJZ-XMMPIXPASA-N 423.560 5.845 0 1 HKAF Clc1cc(CN2CCCCC2)cc(OCCCNc2nc3ccccc3s2)c1 26503296 IYIBMPLSRQWHQA-UHFFFAOYSA-N 415.990 5.817 0 1 HKAF COc1ccc(SCCCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 28886704 JNUXRGUUFGFGOV-UHFFFAOYSA-N 411.398 5.306 0 1 HKAF CCN(CC)CCCNc1nc(Nc2ccc(Cl)c(Cl)c2)c2ccccc2n1 29205550 OTUDRZMFXRFELW-UHFFFAOYSA-N 418.372 5.824 0 1 HKAF COc1cc(OC)c2c(c1-c1ccc(C)cc1)C[C@H](C)N(Cc1ccccc1)[C@H]2C 31853331 BTXUAKYLSLIJMI-PMACEKPBSA-N 401.550 6.187 0 1 HKAF CCC[C@@H](C)CCC[C@@H](C)C(=O)C[C@H](O)[C@@H](C)C/C=C/C1=C(C)CCCC1(C)C 39162882 JSSNFOHEHRIBDT-HVHPLVMWSA-N 404.679 7.658 0 1 HKAF in-man Cc1cccc2nc(-c3cccc(-c4cccc(NC(=O)c5csnn5)c4)c3)[nH]c12 45321921 AHVYFIKGSSHPEM-UHFFFAOYSA-N 411.490 5.309 0 1 HKAF COc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)c(F)c1 73223706 OQWISWGHGXMIDP-UHFFFAOYSA-N 410.832 5.038 0 1 HKAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NCC3CCCCC3)nc2-c2ccccc2)C1 82133189 VLZSRCJSKDMTGV-KDURUIRLSA-N 406.574 5.254 0 1 HKAF CC[C@H](C)Nc1ncc(C(=O)N(CC)Cc2cccc(C)c2)c(-c2ccc(F)cc2)n1 82140277 QLYJICCOBKIISN-SFHVURJKSA-N 420.532 5.464 0 1 HKAF CCc1cnc(-c2cnc(NCCc3ccc(OC)cc3)nc2-c2ccco2)s1 82166382 BLCWACKFTPNPNS-UHFFFAOYSA-N 406.511 5.086 0 1 HKAF CC[C@@H](C)Cn1c(C[C@@H](C)c2ccccc2)nc2c(NCc3ccccc3)ncnc21 82178630 OVMBCURBKBDTDH-WOJBJXKFSA-N 413.569 5.831 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccsc2)nc2c(NCCc3ccccc3F)ncnc21 82180777 UKQNYULJYNOCQR-OAHLLOKOSA-N 409.534 5.395 0 1 HKAF CCCCCn1c(-c2cccnc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188118 IKFPVOVXBPWTEN-GOSISDBHSA-N 400.530 5.294 0 1 HKAF CCCc1ccc(N2C(=O)c3[nH]nc(C(C)(C)C)c3[C@H]2c2ccccc2OC)cc1 96176950 FALSDNZMYFWPCC-JOCHJYFZSA-N 403.526 5.418 0 1 HKAF CCCCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1cccnc1 100703621 AAJNXUSVXWKSOL-INIZCTEOSA-N 410.543 5.320 0 1 HKAF Cc1cccc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2ncc(C)o2)c1 105196632 YFKVLKKIHUQDQW-GIUOSPMZSA-N 402.542 5.898 0 1 HKAF O=C(Cc1ccc2ncccc2c1)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1 116815113 VMPRVBMCLLMYRA-UHFFFAOYSA-N 408.505 5.357 0 1 HKAF CC1=C(CC/C(C)=C/C=C/[C@@]2(C)CCc3cc(C(=O)O)ccc3O2)C(C)(C)CCC1 135767218 LETDMCNTDMLJHX-FCDFZOAESA-N 408.582 7.278 0 1 HKAF COCCOc1ccc(-c2ccc(-c3csc(Nc4cccc(C)n4)n3)cc2)cn1 145286620 FICPMRMGEKPFPA-UHFFFAOYSA-N 418.522 5.344 0 1 HKAF CC[C@H](c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1)N(CC)CC 165214492 WFAKQSQXTGGGGY-LJQANCHMSA-N 406.551 5.908 0 1 HKAF CCN(CC)CCC[C@@H](C)/N=c1\cc(-c2ccc(Cl)cc2)sc2ccccc12 169316871 GJGZSWIGEAFKQT-CUBIIZMHSA-N 413.030 6.633 0 1 HKAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC/C=C\c1ccc(O)cc1 238737504 HGWQWDQGDCAJEH-YDKSFLPTSA-N 412.614 7.762 0 1 HKAF FC(F)(F)c1ccc2c(c1)nc(CC1CCCC1)n2C[C@@H]1CCCN2CCCC[C@H]12 299824063 AIWPTBQHEGYMFS-GHTZIAJQSA-N 419.535 6.052 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cc2)CC1 586879018 CNORSFPVFXPNDC-WGSAOQKQSA-N 404.554 6.855 0 1 HKAF CCC(C)(C)c1ccc(-c2nc3cc(Oc4ccc(C(=O)OC)cc4)ccc3[nH]2)cc1 586880176 DQGPOAGOWABMSO-UHFFFAOYSA-N 414.505 6.496 0 1 HKAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 586963623 PKZFFNRMTYVUGV-LBPRGKRZSA-N 400.451 5.222 0 1 HKAF Cc1cc(C)c2[nH]c3c(c2c1)CCc1c-3nc2ccc(O)c3c2c1-c1ccccc1C3=O 586989340 FQRGGVBIQWNLHL-UHFFFAOYSA-N 416.480 6.016 0 1 HKAF CCc1ccc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 586989615 CLAXWLJSALEXFP-UHFFFAOYSA-N 409.441 5.008 0 1 HKAF CCCC[C@@H](OC)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586989845 RKHZBNQMLARZKI-RUZDIDTESA-N 423.512 6.697 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(F)c(Br)c2[nH]1 587014054 GSJJJUFCMMYPBJ-UHFFFAOYSA-N 422.710 6.217 0 1 HKAF FC(F)(F)c1cc(Br)cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c12 587025364 IZSYVWSINIJWDW-UHFFFAOYSA-N 423.257 6.740 0 1 HKAF CSc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587028683 YWGIWJYCQZLVPE-YSSFQJQWSA-N 411.596 5.421 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5cc(F)cnc5[nH]4)c23)cc1 587037245 BYWVYGRTMRFEKZ-UHFFFAOYSA-N 407.499 5.369 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5c(C)ccnc5[nH]4)c23)cc1 587037279 CPRKQRDSGWPNOU-UHFFFAOYSA-N 403.536 5.539 0 1 HKAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(C)cc(C)c3[nH]2)c1 587048319 IFBBXXPACOTJEF-CMDGGOBGSA-N 410.905 5.224 0 1 HKAF FC(F)(F)c1ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2c1 587048853 ZGYKAKPQKSZLDZ-UHFFFAOYSA-N 407.222 7.223 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cncc(Br)c4[nH]3)c2)c1 587050502 RBCOMNMTHFZVKL-UHFFFAOYSA-N 412.674 5.520 0 1 HKAF Clc1cccc(-n2nc(-c3nc4cnc5ccccc5c4[nH]3)cc2-c2ccco2)c1 587068307 PTEWSVOEXHHZCI-UHFFFAOYSA-N 411.852 5.877 0 1 HKAF C/C=C\C[C@@H]1Cc2nc3c(C)ccc4c3c(c2[C@@H]1CC(=O)OC)-c1ccccc1C4=O 587097887 ORWGZDNAVXGBAS-UMZBGCALSA-N 411.501 5.540 0 1 HKAF COc1ccc2cc(/C=C/c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)ccc2c1 587105973 CQYGIVXSXHTRFI-JLHYYAGUSA-N 413.476 6.778 0 1 HKAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4c(C)ccc(C)c4[nH]3)cc2)cc1F 587147267 JLTCLWSHPHEKQZ-UHFFFAOYSA-N 401.485 5.326 0 1 HKAF Cc1c(Br)cc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1C 587227544 ZKYBHIPLYKTGRF-QGZVFWFLSA-N 422.367 5.698 0 1 HKAF C[C@@]1(c2ccnc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332308 RTHUULKGUCAOTI-FPOVZHCZSA-N 417.358 5.219 0 1 HKAF C[C@@]1(c2c(Cl)[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334068 XBYDFAWZJWTQJV-HYBUGGRVSA-N 421.855 5.940 0 1 HKAF CN(C)/C=C\[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337477 RRGYDCAQFAFJRT-HRPBQWOBSA-N 421.443 5.000 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351013 FWHFIZQCIFPCON-RWCIVJTCSA-N 422.540 6.812 0 1 HKAF COc1cccc(-c2cc(-c3ccc(F)cc3Cl)nc3c2oc2ccccc23)c1 587360620 QRRUKHYSJFIOGA-UHFFFAOYSA-N 403.840 7.116 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](CCc2ccccc2)CC3)c1 587366370 LRBNWDUPZDCBMV-FQEVSTJZSA-N 419.524 7.319 0 1 HKAF COc1cccc(-c2cc(-c3cc(CC(=O)O)cs3)nc3c2oc2ccccc23)c1 587367079 YHZKTCDFAMKSLX-UHFFFAOYSA-N 415.470 6.012 0 1 HKAF CCOC(=O)c1ccc(-c2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 587399083 HSQOQESPFYZCSV-AREMUKBSSA-N 415.489 5.302 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587421398 KMIGLAMOZKQHLS-CVDCTZTESA-N 410.391 5.405 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1nc4ccccc4n1[C@@H](C)c1ccccc1)[C@@H](C2)C3=O 587433233 WQYMLKQJMBMOHU-BIUIGEDTSA-N 410.473 5.143 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CNc1ccc(Cl)cc1)(c1ccccc1)CC2=O 587462944 RRTQDUHGRJCNCT-RUZDIDTESA-N 421.924 5.971 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(Cl)c(Cl)c1)CC2=O 587463515 XYYISZOHUNQQPB-OAQYLSRUSA-N 423.292 5.377 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3cccc(C(=O)O)c3)cc1)CC2=O 587492875 ZACHEBIRZPATBH-AREMUKBSSA-N 416.473 5.591 0 1 HKAF C[C@]1([C@@H]2CC=C(Br)CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547379 ZUBGMTVJIVWWKC-LZHZSBQWSA-N 415.283 5.191 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2c1ccc1ccccc12 587587130 FTNOFQBDCSGFHT-NVQXNPDNSA-N 407.425 5.730 0 1 HKAF CCOc1cc(OCC)cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587593437 DFLWNORYXVRHQZ-RDGATRHJSA-N 420.461 5.067 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(Cl)c3)o2)N1 587697428 GLZMMVXYGWRINS-YBTHPKLGSA-N 420.709 6.125 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)[nH]c3ccc(Cl)cc23)N1 587703233 XNHUULRLKIFGKG-CQLKUDPESA-N 409.686 5.052 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ncccc3F)o2)N1 587726859 LSGAFMCCUNXWKF-YPMLDQLKSA-N 405.242 5.006 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccccc3F)c2)N1 587730196 WYZSJQYCFPVFQF-WHEQGISXSA-N 414.293 6.018 0 1 HKAF COc1ccc2ccccc2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587805041 CXNDYDBHIBSLAZ-QKVFXAPYSA-N 400.291 5.374 0 1 HKAF CC[C@@]1(c2ccc(-c3ccccc3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814909 WSLOOODQJVZQPL-FYSMJZIKSA-N 424.357 6.443 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(c2ccccc2)c2ccccc2)N1 587819438 MLICJIOXEOGHIB-NPMXOYFQSA-N 410.330 5.996 0 1 HKAF CC(C)C/C=C(/c1ccccc1)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587821421 UYCJPKBSZCBUSV-WZZPSOHESA-N 402.351 6.293 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2C(=O)c2ccccc2)N1 587823158 OOQYESGQTKPIOP-AOSWFRPUSA-N 416.334 5.391 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc3ccccc3c2Cl)N1 587852376 GAENLTOTNUQJNK-XLFHBGCDSA-N 410.739 6.080 0 1 HKAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1 587934741 FOFISOKBHVAXKO-AREMUKBSSA-N 418.496 5.983 0 1 HKAF Fc1cnc(Br)c2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc12 587949477 HVRNYVYBRIJPPZ-ZHACJKMWSA-N 410.246 5.822 0 1 HKAF C[C@H]1N(c2ccc(OC(C)(C)C(=O)O)cc2)C(=O)c2ccccc2N1c1ccccc1 653783699 KKIVKRGAMDDUSO-QGZVFWFLSA-N 416.477 5.073 0 1 HKAF O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1ccccc1 957856801 QFTBUJCOSFEGRN-UHFFFAOYSA-N 411.958 6.079 0 1 HKAF c1ccc(Cc2nocc2[C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1 962636940 JOSKDEUPFNVBAE-RBJSKKJNSA-N 421.544 5.102 0 1 HKAF Cc1ccc([C@]2(c3ccc(F)cc3)c3cccc(F)c3CCN2[C@@H]2CCSC2)nc1 962701849 LRFGJZMUVPIBIB-NLFFAJNJSA-N 422.544 5.324 0 1 HKAF COc1cccc([C@@]2(c3ccc(C)c(C)c3)c3ccc(F)cc3C[C@@H]3CCCN32)n1 963112923 XXPZLESEYCWHFE-BKMJKUGQSA-N 402.513 5.159 0 1 HKAF CC(C)(C)OC(=O)Nc1nccc(Cl)c1[C@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963117187 XUQMXMFDIYTROW-HNAYVOBHSA-N 417.912 5.331 0 1 HKAF Cc1cc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)c(C)n1-c1ccnn1C(C)C 963125249 SJLPLRRARLWNOV-NRFANRHFSA-N 403.357 5.413 0 1 HKAF Cc1ccc2oc([C@@H]3N[C@H](C(=O)O)Cc4ccc(Cl)c(C(F)(F)F)c43)c(C)c2c1 963171354 BWAPENRBJXPMAY-KBXCAEBGSA-N 423.818 5.410 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2C12C=C(c1ccccc1)SC(c1ccccc1)=C2 963226945 IVDHDNHZFRWNDJ-QFIPXVFZSA-N 423.625 7.368 0 1 HKAF O=C1[C@@H]2C=CC=C[C@@H]2[C@@H](c2ccc(Oc3ccccc3)cc2)N1c1ccc2nc[nH]c2c1 1772608288 CHKREEOQSZISDH-PPJWLVRDSA-N 419.484 5.802 0 1 HKAF Clc1ccc(-n2ccc([C@@H](c3ccc(Cl)cc3Cl)n3ccnc3)c2)cc1 1857540607 WYGZUDPMZOMYKX-FQEVSTJZSA-N 402.712 6.272 0 1 HKAF Cc1noc(C)c1-c1ccc2c(Nc3ccc(Cl)cc3)nn([C@@H]3CCCCO3)c2c1 1857566555 KWFCRALYSFDVKS-NRFANRHFSA-N 422.916 6.404 0 1 HKAF Clc1ccc(-c2nnc(Nc3ccc(Br)cc3)s2)c(Cl)c1 1857591870 ZFIKCHJDAMYZTH-UHFFFAOYSA-N 401.116 6.018 0 1 HKAF O=C(O)C[C@H](c1ccc2c(c1)O[C@@H](c1ccc(-c3cccc(O)c3)cc1)CC2)C1CC1 1857633328 PHEYUQCJRZQNEM-LOSJGSFVSA-N 414.501 6.094 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@@H]3CC[C@]12C)C(C)C 2356751225 WBTPOQYEYUEYSR-PHYGGMEFSA-N 400.691 7.491 0 1 HKAF Cc1nc(-c2ccccc2)sc1[C@]1(C)CC(c2ccc(OC(F)(F)F)cc2)=NO1 13660398 IMBUGPIFBRPWEL-FQEVSTJZSA-N 418.440 6.057 0 3 HKAF COc1ccccc1-c1cc2c(Nc3cc(OC)c(OC)c(OC)c3)nccc2[nH]1 82084048 XJZGXQBKOWUVKB-UHFFFAOYSA-N 405.454 5.008 0 3 HKAF C[C@@H](Cc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1)C(=O)O 13554029 BWEWSCNBSSRZNC-NRFANRHFSA-N 422.524 6.863 0 1 HKAF COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(-c3ccncc3)cc1)CC2 13806147 ZQGJURWSBLKGJD-UHFFFAOYSA-N 413.399 5.371 0 1 HKAF O[C@@H](/C=C1\C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 13901719 WXLTVTMEQSZESS-VNMIWEMJSA-N 413.536 5.712 0 1 HKAF Cc1cc(Br)c2c(c1)[C@H]1CCN[C@@H](Cc3cccc4ccccc34)[C@H]1N2 26669095 SXUYSGJPFRBFEI-JZWVFAODSA-N 407.355 5.393 0 1 HKAF C[C@H](CO[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O)c1ccccc1 27558466 UBLWJPGPEJEPCL-GYCJOSAFSA-N 404.897 5.276 0 1 HKAF Clc1cc(Nc2ncnc3nn4ccccc4c23)ccc1OCc1ccccc1 28137756 SXKKJDFMAPGQSG-UHFFFAOYSA-N 401.857 5.254 0 1 HKAF CN(c1cccc(Cl)c1)c1ncc(C(F)(F)F)c(Nc2ccc3[nH]cnc3c2)n1 28520778 TYFCEWJSIGSMEL-UHFFFAOYSA-N 418.810 5.537 0 1 HKAF CC(C)CCN(Cc1ccc2ccc(C(=N)N)cc2c1)C(=O)c1cccc2ccccc12 28525486 MDPNAJSOXUUCRL-UHFFFAOYSA-N 423.560 5.966 0 1 HKAF Cc1cc(Nc2ccc(OCC3CCCCC3)cc2)c2cc(NC(N)=O)ccc2n1 29342781 NDOYBYWHYUTYOC-UHFFFAOYSA-N 404.514 5.737 0 1 HKAF CN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccccc1F 40421851 WTHQYJVUCPHIHT-UHFFFAOYSA-N 404.504 6.363 0 1 HKAF O=C(O)c1ccccc1-c1ccc(CCc2ncc(Cc3cccc(Cl)c3)[nH]2)cc1 49053644 FNOBOFXMKQFITR-UHFFFAOYSA-N 416.908 5.804 0 1 HKAF COc1ccc2c3c(oc2c1Br)[C@H](C)CC[C@H]1C(C)(C)CCC[C@]31C 66258545 BVANDEYLFYDUIB-DHZVRSILSA-N 405.376 7.185 0 1 HKAF O=c1[nH]c(=S)[nH]c(-c2ccc3ccccc3c2)c1Cc1c(O)ccc2ccccc12 72171823 BXWUFWSOZYXODV-UHFFFAOYSA-N 410.498 5.702 0 1 HKAF COc1cc(-c2ccc(N[C@@H](C)c3ccc(F)cc3)nc2)ccc1-c1ccnnc1 72177243 UAHGFKVJYBCXCK-INIZCTEOSA-N 400.457 5.526 0 1 HKAF COc1ccccc1CNc1ncc(-c2nc3ccccc3s2)c(-c2ccco2)n1 82166231 YJDIQQLJJCGKRE-UHFFFAOYSA-N 414.490 5.634 0 1 HKAF Cc1cnc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccccc2C)o1 82177337 KWUBGFSWDAORNN-UHFFFAOYSA-N 412.537 6.325 0 1 HKAF CC[C@H](C)CNC(=O)c1cc(-c2cnc3[nH]c(-c4ccc(OC)cc4)nc3c2)cs1 103248080 WJOZIBBXHBCESC-AWEZNQCLSA-N 420.538 5.138 0 1 HKAF CC1(C)CC2=Nc3ccccc3N(C(=O)c3ccccc3)[C@H](c3ccco3)C2=C(O)C1 104695848 ZITUIXAPJZRCES-XMMPIXPASA-N 412.489 6.386 0 1 HKAF Cn1cncc1-c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 113654649 OAXWKOAQPWOHNF-UHFFFAOYSA-N 419.532 5.407 0 1 HKAF C[C@@H]1CC[C@]2(NC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 118937130 XYNPYHXGMWJBLV-BQSXMXLKSA-N 415.662 5.367 0 1 HKAF endogenous,in-man CCCCN(C)Cc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 145625820 BTKZSYOCVZGCOB-QFIPXVFZSA-N 408.567 6.234 0 1 HKAF CC(=O)OC[C@H](O)COC(=O)CCCCCCCCCCCCCCC(C)C 169248582 DSTHIRZZOOYDNA-QFIPXVFZSA-N 400.600 5.571 0 1 HKAF CCCCN(CCCC)C[C@@H](O)c1nc(-c2ccc(Cl)cc2)nc2ccccc12 169334591 LAMCXKQNVLGQRK-JOCHJYFZSA-N 411.977 5.886 0 1 HKAF CCCCC[C@H](C)[C@@H](C)c1cc(OCC2CC2)c2c(c1)OC(C)(C)c1ccncc1-2 169347738 MRLUGCSTUIYFTK-RBUKOAKNSA-N 407.598 7.485 0 1 HKAF O=C(c1cnccc1Oc1ccc2occc2c1)N1CCN(C2CC2)c2ccccc21 169349694 KYBOAWZHMHJXLA-UHFFFAOYSA-N 411.461 5.249 0 1 HKAF COc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1O[C@@H]1C[C@H]2CC[C@H]1C2 253700181 JITWRUMFYWXWGT-ZJNRKIDTSA-N 406.309 5.822 0 1 HKAF CC[C@H](/C=C/[C@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 255222144 JZVFJDZBLUFKCA-HGWAVUGESA-N 412.702 7.801 0 1 HKAF CCC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]1CC[C@@H]1[C@H]2CC=C2C[C@@H](O)CC[C@@]21C)C(C)C 255227473 LPKGEXRCVBMHFE-ZUZWBMIASA-N 414.718 8.025 0 1 HKAF CCCCN(Cc1ccc(C(=O)O)cc1)C(=O)c1ccc(Oc2ccccc2F)cc1 584598523 SVNWCVFZMPJBLW-UHFFFAOYSA-N 421.468 5.759 0 1 HKAF Oc1ccccc1C1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CC1 586896377 CKLFKQWCMSIFDA-UHFFFAOYSA-N 413.193 5.010 0 1 HKAF COc1ccc2c(C)c(CCc3nc4cccc(C(C)(C)C)c4[nH]3)c(=O)oc2c1C 586917590 DHVVQRGYGAJMEU-UHFFFAOYSA-N 404.510 5.377 0 1 HKAF Cc1ccc2c(ccc3nc([C@@H](Cc4cccc(Br)c4)CC(C)C)[nH]c32)n1 586983200 WZXYHYJOBZFYKW-QGZVFWFLSA-N 422.370 6.554 0 1 HKAF Clc1ncc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc-2[nH]1 586998919 SDKKKZUWBPQJLW-VURMDHGXSA-N 401.651 5.151 0 1 HKAF Cc1cc(C)c2[nH]c(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)nc2c1 587007321 HFAOWHNHODKCCP-UHFFFAOYSA-N 424.298 5.378 0 1 HKAF Clc1ccc(-c2cc(-c3nc4cc(Br)ncc4[nH]3)ccc2Cl)cc1 587047346 GZOAFPDHMPJPCN-UHFFFAOYSA-N 419.109 6.361 0 1 HKAF CCOC(=O)c1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c1 587063746 UWSZABNBAMUWPC-UHFFFAOYSA-N 406.869 5.639 0 1 HKAF Cc1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2n1 587064975 XTISPDWAFUMIIQ-UHFFFAOYSA-N 402.885 5.620 0 1 HKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4ccnc(Br)c4[nH]3)c2)cc1 587067732 MWCVWSUSQKPQDF-UHFFFAOYSA-N 414.690 5.200 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(F)c(C)c4[nH]3)c(Cl)cc12 587078242 MBIGJRWUSOKYRT-LBPRGKRZSA-N 414.864 5.863 0 1 HKAF CC(C)CCOc1cc2nc(C(F)(F)c3ccccn3)[nH]c2cc1Br 587089503 SOGGNPCYPNKMKB-UHFFFAOYSA-N 410.262 5.285 0 1 HKAF CCCOc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(OCCC)c1 587105834 FNOPILBFRSQWFF-UHFFFAOYSA-N 423.512 6.691 0 1 HKAF C[C@H](c1nc2ccc3c(c2[nH]1)CCCC3)n1nc(C(F)F)c(Cl)c1C(F)F 587128140 GTMZMTYDQDJKBS-MRVPVSSYSA-N 400.807 5.776 0 1 HKAF COc1ccc(C(=O)c2ccccc2-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1F 587144943 SDAQMLDKCGMKEW-UHFFFAOYSA-N 418.321 5.165 0 1 HKAF O=C(Nc1cccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1)c1ccc(F)cc1 587163177 LXGOCEQEUNYUEE-UHFFFAOYSA-N 403.310 5.178 0 1 HKAF COc1cc2nc(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)[nH]c2cc1Cl 587195877 MGOXKWVIPMJWOM-UHFFFAOYSA-N 401.894 5.572 0 1 HKAF COC(=O)C[C@@H]1CCCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587362293 IXOWMUPPIZDXNB-INIZCTEOSA-N 401.462 5.640 0 1 HKAF COc1cccc(-c2cc(CC(=O)c3ccccc3OC)nc3c2oc2ccccc23)c1 587362972 NONDPPAAEUIVFN-UHFFFAOYSA-N 423.468 6.091 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Br)cc1C(F)(F)F)O2 587383528 XZJOKVSLTYQNAC-QGZVFWFLSA-N 414.221 5.239 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1O[C@H]1C[C@H]3CC[C@@]1(C)C3(C)C)O2 587403590 OXPJWKWZPFGDCK-LBOZZCPMSA-N 405.538 5.877 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(Cc3ccc(Cl)cc3)c1C)CC2=O 587459386 CXPZSGXXULSGFG-QFIPXVFZSA-N 424.928 5.566 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1OC1CCCC1)CC2=O 587460449 GEHUAROTMADRMI-JOCHJYFZSA-N 400.902 6.026 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)c3cccc(Cl)c3)cn1C)CC2=O 587462996 SMFARYKMENWBOY-JOCHJYFZSA-N 423.896 5.274 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3ccc(F)cc3)cc1)CC2=O 587469674 BUBHUPYWQABFDN-AREMUKBSSA-N 420.480 5.943 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@](CC)(CC(=O)O)Cc2ccccc21 587491363 ULOUUKICDRHJHO-JWQCQUIFSA-N 408.494 5.023 0 1 HKAF O=C1C[C@@]2(CCC[C@@H]2c2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587508254 OJCSCQLQPMEBJL-NFBKMPQASA-N 400.440 6.256 0 1 HKAF CC1CCN(c2ccc(N)c([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)CC1 587516137 YLQYQLYHWVHTNK-AREMUKBSSA-N 404.554 5.265 0 1 HKAF O=C1C[C@H](c2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)Oc2c1ccc1c2CCCC1 587526924 RYFPOWXRLYYKLR-KCBBTTLTSA-N 402.538 5.463 0 1 HKAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(=O)c1ccco1 587533635 RXUVAAPVJHTCLW-JOCHJYFZSA-N 418.445 5.093 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(Cl)cc1O 587547807 UQLZAIKXIFFWDC-XLIONFOSSA-N 403.217 5.108 0 1 HKAF CCCC[C@]1([C@H]2CCOC(C)(C)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605677 AHQJOPHDLZTOGI-SMTRDTIPSA-N 410.510 5.488 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N1C(=O)c2ccccc2C1=O 587627602 FEORFTRIJZABCV-UHFFFAOYSA-N 412.289 5.315 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc4c(c3)NC(=O)CO4)c2c1 587642162 PVIAQHLNEUUBOA-NSHDSACASA-N 416.399 5.262 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C(Cl)c3ccccc3CC2)N1 587706099 OSUIWRPMNVSNFC-PRWKNARSSA-N 406.726 5.760 0 1 HKAF COc1cc(Cl)cc(F)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587719837 LZPSKHCQJBDANB-WNWIJWBNSA-N 402.666 5.013 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3cccc(F)c3)no2)N1 587727857 CCXZKIMRBUMEGO-GIGQVBGESA-N 405.242 5.006 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)s1 587844510 BKYGNNVIYJWVCU-OVWNDWIMSA-N 422.388 6.310 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc(Cl)s2)N1 587846580 IDTBZFBEVJNBDW-BTDLBPIBSA-N 402.760 5.685 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2c(CC)cccc2s1 587862015 YUHWQOVOGVMZOY-UHFFFAOYSA-N 418.349 6.417 0 1 HKAF N/C(=C/c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1)c1ccccc1 587922375 CUALZOBPFCVZML-XSFVSMFZSA-N 411.505 6.554 0 1 HKAF C[C@@H](Nc1ncnc2ncc(-c3cnn(C)c3)cc12)c1c(Cl)ccc(F)c1Cl 653819835 JJFZVQIFOACJKG-SNVBAGLBSA-N 417.275 5.044 0 1 HKAF Cc1cc2c(cc1F)[C@]1(CCC[C@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C)NCC2 962090201 HFWNPURMAWMYIV-NSXLHWASSA-N 402.554 5.065 0 1 HKAF COC(=O)c1ccc(-c2ccccc2[C@@H]2NCCc3c2sc(C)c3C)cc1Cl 963027576 QDXDJDIDEQOAQK-NRFANRHFSA-N 411.954 5.707 0 1 HKAF CCCCCc1ccc([C@@]2(c3ncco3)NCCc3c(Cl)cc(Cl)cc32)cc1 963119536 GZXOUUJMHXVSSF-HSZRJFAPSA-N 415.364 6.152 0 1 HKAF CCOP(=O)(OCC)[C@H](N(O[C@H](C)c1cn(C)cn1)C(C)(C)C)C(C)(C)C 1857539354 JPGPKRXXXWYEON-WBVHZDCISA-N 403.504 5.152 0 1 HKAF CCCCCCC(C)(C)c1cc(OCCO)c2c(c1)OC(C)(C)c1cn(CC)nc1-2 1857577322 UBTCOVALQKCDAS-UHFFFAOYSA-N 414.590 5.817 0 1 HKAF CCNc1ccc(Oc2ccc(-c3[nH]c4cccc(F)c4c(=O)c3C)cc2F)cc1 1857600251 NXFUCNVNAQNAEM-UHFFFAOYSA-N 406.432 6.006 0 1 HKAF Oc1noc2c(F)c(Oc3ccc(CN4CCC[C@H]4c4cccc(F)c4)cc3)ccc12 1911572184 PTFVUOOTTZAQAI-FQEVSTJZSA-N 422.431 5.941 0 1 HKAF CC1=C[C@H](CNC(=O)c2ccccc2)[C@@H](C(C)C)C[C@@H]1Cc1nc2ccc(C)cc2[n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n1c(-c2ccc(F)cc2)[n+](C)c2ccccc21 3878748 XICGSKNNKYSGSQ-UTSGNWPNSA-N 423.552 5.276 0 3 HKAF CCCCn1c(-c2ccc(C(C)(C)C)cc2)nc2cc3[nH]c(=O)c(C(C)C)nc3cc21 15936870 XXIGDKVSFIMVAO-UHFFFAOYSA-N 416.569 6.161 0 3 HKAF Brc1ccc([C@@H]2[C@H]3CSc4ccccc4C3=NN2c2ccccc2)cc1 6041570 AFHSHLMTBPFEII-SIKLNZKXSA-N 421.363 6.137 0 1 HKAF Cc1ccc(CN2CCC(C(=O)Nc3ccc(-c4cc5ccccc5[nH]4)cc3)CC2)o1 12716877 OBJNNBMWUAKVOJ-UHFFFAOYSA-N 413.521 5.587 0 1 HKAF COc1ccc2c3c(c(=O)oc2c1)[C@@](C)(CC/C=C(\C)Cc1cc(C)co1)[C@@H](C)O3 13460831 VQRPFWMTIIMDKU-PCHPTOQVSA-N 408.494 5.711 0 1 HKAF in-vitro CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12 13553388 VLHIKSVDLITNMK-UHFFFAOYSA-N 419.400 6.657 0 1 HKAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4N(C=O)C4CCCCC4)[C@@H]3CC[C@@H]12 13740912 GWOHHTZQGRQPDS-LMZXXRHXSA-N 414.634 5.010 0 1 HKAF CC(C)c1ccccc1NC(=O)/C=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12 13761295 BOYUWVOTYKNCDE-BQYQJAHWSA-N 417.292 5.948 0 1 HKAF CCCCN(CCCC)CCCCOc1ccc(-c2cn3cccc(C)c3n2)cc1 26294935 HEUGUQJJBQRVIU-UHFFFAOYSA-N 407.602 6.371 0 1 HKAF CCCCc1cc2c(cc1C(=C1CC1)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C 28459938 QCWNVPMGGVCEIT-UHFFFAOYSA-N 416.605 7.672 0 1 HKAF COC(=O)[C@H](Oc1ccc2c(c1)CCC2)c1ccc(Oc2ccc(Cl)cc2)cc1 39242712 KQEHMRXLUYYGDE-HSZRJFAPSA-N 408.881 5.914 0 1 HKAF CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc(OC)c1 40873683 XXZRTORMTYSLJD-MQVPCNEGSA-N 415.537 6.315 0 1 HKAF COc1ccc(Nc2ncnc3cc4c(cc23)nc(C(C)C)n4C2CCCCC2)cc1 40915076 PXNYQCSMAWJROH-UHFFFAOYSA-N 415.541 6.360 0 1 HKAF O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1cccc(Cl)c1F 42989699 YWGUGSBEWBRBFU-UHFFFAOYSA-N 424.931 5.618 0 1 HKAF C[C@H](CN(C)C)C(=O)Nc1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)c1 45323604 LQVMDSPXOUYWBJ-MRXNPFEDSA-N 416.500 5.172 0 1 HKAF Cc1cc(C)c[n+](CCCCc2ccc(CCCC[n+]3cc(C)cc(C)c3)cc2)c1 45355758 KXVBMQMGXRVIJD-UHFFFAOYSA-N 402.626 5.541 0 1 HKAF COc1ccc(CNCCCCNc2c3c(nc4ccccc24)CCCC3)cc1OC 71295913 NNXKOOIDENOEBF-UHFFFAOYSA-N 419.569 5.113 0 1 HKAF COc1cc(-c2nc(CN[C@H](C)c3cccc4ccccc34)co2)cc(OC)c1OC 72182473 QVSWMTCOGBMLHK-MRXNPFEDSA-N 418.493 5.371 0 1 HKAF CCCCCCC(C)(C)c1cc(OC)c([C@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)c(OC)c1 72315134 OQIFPCMADBETAH-SWGGMNADSA-N 414.630 7.061 0 1 HKAF COc1cc(Nc2nc3c(s2)CCC[C@@H]3c2ccccc2)ccc1-c1nnc(C)o1 73158052 VGHUJEFEILOOKQ-QGZVFWFLSA-N 418.522 5.722 0 1 HKAF Cc1cccc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2-c2nc3ccccc3s2)c1 82173396 PIOUOJBMHRVRGN-HDICACEKSA-N 414.578 6.211 0 1 HKAF CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2cccc(Cl)c2)cs1 82193212 QRAMHOKCGHVHDL-UZLBHIALSA-N 420.022 5.765 0 1 HKAF O[C@@H](CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)C[C@@H](O)c1ccccc1 95784758 GFOVXYXDEXXDMF-FGZHOGPDSA-N 417.530 5.585 0 1 HKAF O=C(Nc1ccc(-c2ccccc2)cc1C(=O)O)c1cccc(Oc2ccccc2)c1 96938207 VBBVLGPCFIFSAA-UHFFFAOYSA-N 409.441 6.096 0 1 HKAF Cn1s/c(=N/c2ccc(Br)cc2)nc1-c1ccc(Cl)cc1Cl 103181254 XGDJUQHAFVHWIB-XDJHFCHBSA-N 415.143 5.450 0 1 HKAF CCCCCOC(=S)S[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 169322107 MMLHUMSHVRBXRP-INIZCTEOSA-N 403.400 6.156 0 1 HKAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C=C(P(=O)=O)CC[C@]4(C)[C@H]3CC[C@]12C 169684328 VAZGGNWSINMGEQ-FLVLYDBPSA-N 419.546 6.227 0 1 HKAF C/C=C(/C)[C@H](O)[C@H](C)/C=C(C)\C=C/C[C@@H](C)/C=C\c1oc(OC)c(C)c(=O)c1C 238787968 PIYNCLUPGLBENL-ANTLJZNTSA-N 400.559 5.770 0 1 HKAF COc1ccc(CNc2nc(-c3ccccc3F)c(Cc3ccccc3)s2)cc1 299825919 LVKICMZBCSMQPG-UHFFFAOYSA-N 404.510 6.161 0 1 HKAF CSc1sc(-c2nc3ccc(F)c(F)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586919749 FXZCLFBGTPUDGE-UHFFFAOYSA-N 422.931 5.127 0 1 HKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cccc(C(C)(C)C)c2[nH]1 586982597 MLDFIKCRAPPDID-QGZVFWFLSA-N 413.403 6.995 0 1 HKAF C[C@@H](C(=O)O)c1c(-c2cccc(F)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987257 CFOJIABQRGNPPC-GFCCVEGCSA-N 413.404 5.146 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(Cl)cc4[nH]3)c(Cl)cc12 587077875 BNBDOQOEDIMAHY-LLVKDONJSA-N 417.292 6.069 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(F)cc2[nH]1 587087435 QHJYHHXTHRHCSD-VQHVLOKHSA-N 401.272 5.732 0 1 HKAF COc1ccccc1[C@@H]1CC(=O)Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587098876 VSNWVKPTBVYJMH-NRFANRHFSA-N 419.480 5.410 0 1 HKAF CCOC(=O)[C@@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)-c2ccccc21 587107268 REFYHGSRNXUYDR-HXUWFJFHSA-N 405.453 5.316 0 1 HKAF FC(F)(F)c1cc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)cc(C(F)(F)F)c1 587110420 VYROKRFOBLJRTM-UHFFFAOYSA-N 414.136 5.893 0 1 HKAF Cc1cc(C)c2[nH]c(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)nc2c1 587121567 FWMVFTFZXZQLGB-UHFFFAOYSA-N 403.429 6.177 0 1 HKAF Cc1cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2cc1Br 587127856 AVOCRVLVHYALRM-UHFFFAOYSA-N 420.282 6.362 0 1 HKAF CCc1c([C@H](CC)Sc2ccoc2C)nc2cccc3c2c1-c1ccccc1C3=O 587209298 NFWVVUNNBKGJBN-NRFANRHFSA-N 413.542 7.153 0 1 HKAF CNc1cccc(-c2cccc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c2)c1 587233552 SBWVPNJIEIKZGK-UHFFFAOYSA-N 405.505 5.770 0 1 HKAF COc1cccc(-c2cc(-c3cc(F)cc(F)c3F)nc3c2oc2ccccc23)c1 587360560 QIHQKITVMFDYBR-UHFFFAOYSA-N 405.375 6.741 0 1 HKAF CCOc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c(O)c1 587361776 AHJCFWINAHALOU-UHFFFAOYSA-N 411.457 6.428 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3cc(C)c(Cl)c(C)c3)o1)O2 587377847 ZNWVDJNVXOCKJE-OAQYLSRUSA-N 411.885 5.726 0 1 HKAF Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587390782 IUFNXYRUAZMJHK-XMMPIXPASA-N 409.489 5.445 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc(Cl)c4Cl)o1)[C@@H](C2)C3=O 587417359 CHSKQARFNYCKKQ-ZSEKCTLFSA-N 401.245 5.751 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3c(Br)cc(C)cc31)CC2=O 587461704 XYPVWTFXYPBDOO-NRFANRHFSA-N 417.299 5.059 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(Br)cc1F)CC2=O 587468674 YWQBEOCXBSVKTM-FQEVSTJZSA-N 407.279 5.213 0 1 HKAF COc1cc(Br)cc(F)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587503619 ICNTWPPEGIPSQD-GOSISDBHSA-N 405.263 5.182 0 1 HKAF CCN1CCC[C@@H]1Cn1c(C)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587510702 CEDGPAWXQNFMBI-NLFFAJNJSA-N 406.570 5.175 0 1 HKAF Cc1nc2ccccc2c(C(=O)O)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587527910 VIBFOKGQKBOPFA-RUZDIDTESA-N 401.462 5.001 0 1 HKAF CC(C)Oc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587541629 GFVHCTVSFUTBSX-XUZZJYLKSA-N 424.880 5.710 0 1 HKAF CC(C)Oc1ccc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545117 GUTZVLQGXFXWCR-NZQKXSOJSA-N 410.853 5.536 0 1 HKAF CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(C)C 587597268 QLIJJFYYBSMVOL-RCZVLFRGSA-N 404.462 5.617 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1c2sc2ccccc12 587619304 RLIXFWSGWSRCIX-OFVILXPXSA-N 414.482 5.800 0 1 HKAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1ccc(C(C)C)cc1 587623174 MYSHEYSKSYRPPO-UHFFFAOYSA-N 411.303 5.491 0 1 HKAF Fc1ccc2c(-c3c(F)cccc3Cl)c(-c3ccccc3Br)[nH]c2c1 587633425 BPDNQKGUVHTVMZ-UHFFFAOYSA-N 418.668 7.196 0 1 HKAF COc1ccc2c(C)cc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nc2c1 587660269 DVCQPDMMQRGKSL-UHFFFAOYSA-N 411.436 5.057 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3ccc(Cl)cc3)c2)N1 587693403 DPGZDKHCFMAHCJ-WLRWDXFRSA-N 420.713 5.051 0 1 HKAF CC(C)CC[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587697520 GUMDOKXWRGRDFK-SZNDQCEHSA-N 424.785 6.456 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(Cl)cc2)N1 587701614 VICZHRIAWCMPPR-MPBGBICISA-N 419.725 5.656 0 1 HKAF CCOC(OCC)c1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587795590 RCTMESWDOQHCOX-XCLFUZPHSA-N 422.338 5.283 0 1 HKAF CCCCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587797054 VHQZHIBGLKALGG-SPLOXXLWSA-N 406.339 5.781 0 1 HKAF CC(C)c1ccc2c(c1)[C@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587816587 AOBVBAWICBGYIX-PEBXRYMYSA-N 402.351 5.826 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(C2CCCCC2)N1 587817443 CBOQHLXAALKAMT-HJPURHCSSA-N 416.378 6.141 0 1 HKAF CCCCc1oc2ccccc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587825873 BKICILPVLRXABQ-WHEQGISXSA-N 416.334 6.301 0 1 HKAF Cc1ccc(-c2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)o1 587828218 MXRXLESASSYOGI-GTJPDFRWSA-N 400.291 5.780 0 1 HKAF Cc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 587831504 XOXJUGQKBBSZES-LRTDBIEQSA-N 400.291 5.780 0 1 HKAF Cc1cc(C)c2c(c1)[C@@]1(CCCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587833015 DPSXETDAMYWXQE-LHSJRXKWSA-N 404.323 5.155 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccn3)s2)N1 587849168 REDZAPWBPOBHAX-JEOXALJRSA-N 403.320 5.335 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2c(F)cccc2s1 587862497 PVGLGUHWHNJIOF-UHFFFAOYSA-N 420.387 5.620 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)NC12CC3CC(CC(C3)C1)C2 587862717 GIDZXDBBEZZIRR-UHFFFAOYSA-N 419.447 5.104 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 587868592 ORZPBTFJRXXCME-GJZGRUSLSA-N 421.806 5.070 0 1 HKAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587928856 CRTRZVBGNNMNMK-ACJLOTCBSA-N 414.349 6.054 0 1 HKAF O=C(Nc1cnn(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1)c1ccccc1 621476356 GSHAUTKDGKJUON-UHFFFAOYSA-N 413.321 5.221 0 1 HKAF c1ccc(Oc2ccc(-c3cncn3CCNc3cccc4ccccc34)cc2)cc1 653850957 ABLYKPQNTWYFSM-UHFFFAOYSA-N 405.501 6.608 0 1 HKAF COCCCN1CCc2ccc(OC)cc2[C@@]1(C)CSc1ccc(Cl)cc1 961319302 HNILUDCVGGFDAU-JOCHJYFZSA-N 405.991 5.251 0 1 HKAF Clc1cccc2c3c([nH]c12)[C@]1(CCC3)c2ccsc2CCN1Cc1cccnc1 962995699 GRUVGFTYQLGTDJ-DEOSSOPVSA-N 419.981 5.916 0 1 HKAF Cc1ccc([C@@]2(c3ccc(Cl)c(Cl)c3)NCCc3c(C)ccnc32)cc1Cl 963071910 MBHZIPFHZUBZGS-QFIPXVFZSA-N 417.767 6.096 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@H]2c1ccc(-c2ccc(C3OCCO3)cc2)cc1 963269069 FEJVNGKDIFHUNY-XMMPIXPASA-N 421.924 5.296 0 1 HKAF O=Cc1cc(-c2ccc(C=CC(=O)O)cc2)cc(C2C3CC4CC(C3)CC2C4)c1O 2356283728 YVWCWCYVMWJXSM-UHFFFAOYSA-N 402.490 5.509 0 1 HKAF CC1=C[C@H](CNCc2ccccc2F)[C@@H](C(C)C)C[C@@H]1Cc1nc2cccc(C)c2[nH]1 2356287875 QYZLKNCISDIAQO-DNVJHFABSA-N 419.588 6.197 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 2356410438 LENYQUOTRXGYQY-QFPOLSRASA-N 424.713 8.543 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCC(=O)O)CC[C@@H]32)C1 2356504104 FCQRLHQHKFKTQE-NXZPFCMGSA-N 418.618 6.078 0 1 HKAF CC=C(C)[C@@H](CC=C(C)CC=CC(C)=CCc1nc(OC)c(OC)c(O)c1C)OC 2356600600 QTBUSGOHOPZBHZ-JOCHJYFZSA-N 415.574 5.866 0 1 HKAF CC(=O)Oc1cc(C)c(OC(C)=O)c(CC=C(C)CCC[C@@H](C)CCCC(C)C)c1 2356804740 UYZSQPHPJZLZMD-IBGZPJMESA-N 416.602 6.967 0 1 HKAF Cc1ccccc1Nc1nc(-c2sc(NC(=O)c3ccccc3)nc2C)cs1 8578467 MBUCPJAEYOJAAH-UHFFFAOYSA-N 406.536 5.879 0 3 HKAF C[C@@]1(C(=O)NCc2cccc(C(F)(F)F)c2)CCN1Cc1ccc2ccccc2c1 61904247 RJWNCVQQFQTGHA-QHCPKHFHSA-N 412.455 5.139 0 3 HKAF CS(=O)(=O)c1ccc(-c2sc(Cc3ccccc3)nc2-c2ccc(F)cc2)cc1 1544146 JYEIFLFWIPVEJV-UHFFFAOYSA-N 423.534 5.611 0 1 HKAF COc1cc(Nc2nc3cc(C(F)(F)F)ccc3n3cccc23)cc(OC)c1OC 1864336 IMCLBXOFMFYEDT-UHFFFAOYSA-N 417.387 5.276 0 1 HKAF C[C@H](C(=O)O)N(Cc1ccccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 10450434 QZXLPZCVSQEMJL-SNVBAGLBSA-N 401.677 5.154 0 1 HKAF Cc1ccc([C@@H](C)Nc2cccn([C@@H](CN3CCCC3)c3ccccc3)c2=O)cc1 13488457 DLOLFQZEKAMAKM-BWKNWUBXSA-N 401.554 5.015 0 1 HKAF CC(C)=CCc1cc([C@H]2COc3cc(O)c(CC=C(C)C)c(O)c3C2=O)ccc1O 14780914 CEBSROOTTDEPKN-LJQANCHMSA-N 408.494 5.180 0 1 HKAF biogenic CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](C)C[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 26949829 XUTZDXHKQDPUMA-VHYBNMORSA-N 415.706 7.174 0 1 HKAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@@H]1N(C)Cc1ccccc1 28242315 DZLXIAFYUJZFJC-SFTDATJTSA-N 405.369 5.790 0 1 HKAF O=C(Nc1cc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12)C1CCCC1 40393165 OFTNLHSJWNDJGZ-UHFFFAOYSA-N 400.309 6.414 0 1 HKAF O=C(Nc1cccc(Nc2ccc3c(c2)OCc2ccccc2C3=O)c1)c1ccccc1 95580191 PYCVNKMOBPWESY-UHFFFAOYSA-N 420.468 5.806 0 1 HKAF Cc1nc(SCC(=O)c2ccc(Cl)c(Cl)c2)n(Nc2ccccc2)c1C 103244313 JVAWFRKQIKDZAC-UHFFFAOYSA-N 406.338 5.657 0 1 HKAF COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](Nc3ccccc3)[C@@H]2C)OCO4)c1OC 105520897 GBOIKVXJSZURGV-GKLUMCFYSA-N 419.477 5.031 0 1 HKAF CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)[C@@H]1CC[C@H](Nc2ccccc2)C1 114097418 TVTVNRYRJNAIKK-GGAORHGYSA-N 422.569 5.113 0 1 HKAF NC(=O)/C=C/c1ccc(Oc2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1 221310297 VSTANNMHRYLYHJ-KGVSQERTSA-N 403.459 5.270 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](C)C[C@@H]4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 253641131 PVJNSDNELNARLT-VMADZMKISA-N 413.690 6.950 0 1 HKAF CC(=O)O[C@H]1CC[C@H]2C(=CC[C@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 255195747 ANZQHGMZAPLDMI-RZCAZMKASA-N 414.674 7.569 0 1 HKAF CSCC(C)(C)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 586968469 DWPDCPXVRJCXNO-UHFFFAOYSA-N 405.361 5.545 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2cncc(OC)c2[nH]1 586981052 DWCQSNPHDJNRNP-UHFFFAOYSA-N 404.308 5.355 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2nc(C(C)(C)C)ccc2[nH]1 586981130 KXQODKZIOIVVNX-UHFFFAOYSA-N 409.331 5.784 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(O)cc3C(F)(F)F)nc3ccc(O)c1c23 586985346 CHRJMMGEXOMKJP-UHFFFAOYSA-N 407.347 5.543 0 1 HKAF CO[C@@H]1C[C@@H](c2ccccc2)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990788 FGKYOUJLZTVTIE-KSFYIVLOSA-N 407.469 5.569 0 1 HKAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(C)c(C)c3[nH]2)c1 587048537 JVBYYOSBXBRJEG-KHPPLWFESA-N 410.905 5.224 0 1 HKAF C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccnc2[nH]1 587053080 AVQTXQZXYJGPJG-GFCCVEGCSA-N 400.265 6.197 0 1 HKAF Fc1cc2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2cc1Cl 587056971 QWEFUENMDZMZSE-UHFFFAOYSA-N 411.647 6.501 0 1 HKAF CC(C)Oc1cc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1Br 587070805 UIECJSHOFLEYLN-ZDUSSCGKSA-N 422.754 5.051 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(F)c(F)cc4[nH]3)c(Cl)cc12 587078102 HPVGGEFZVBGNGI-SNVBAGLBSA-N 418.827 5.693 0 1 HKAF CCCOc1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2cc1Br 587085944 PLPRMJNKORFJGB-UHFFFAOYSA-N 416.706 5.983 0 1 HKAF FC(F)(F)c1ccc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c(C(F)(F)F)c1 587095063 OTNCLFWEPOGIMT-UHFFFAOYSA-N 400.109 5.969 0 1 HKAF Cc1ccc2c3c(cc([C@@H]4C[C@H]4c4ccc(Cl)s4)nc13)-c1ccccc1C2=O 587102294 NBPNQFUYAUZKFM-IAGOWNOFSA-N 401.918 6.741 0 1 HKAF Cc1c(C2(c3ccccc3)CCNCC2)nc2cccc3c2c1-c1ccccc1C3=O 587107216 QVCHFCJUOJWUNC-UHFFFAOYSA-N 404.513 5.424 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2c2ccccc2Cl)[C@H]1c1ccc(F)cc1 587333499 STNWLPIHENTSQL-PBXXJUDPSA-N 422.883 6.250 0 1 HKAF Cc1ccccc1C[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357922 WRNITQLNXHNTHI-AOYPEHQESA-N 402.465 5.590 0 1 HKAF COc1cccc(-c2cc(CNC(=O)OC(C)(C)C)nc3c2oc2ccccc23)c1 587359183 DYCSBAYSGRLMHS-UHFFFAOYSA-N 404.466 5.681 0 1 HKAF C/C(=C/[C@]1(c2ccsc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)N(C)C 587379572 YWMCARDFZDVDSI-OEJQAWNNSA-N 423.509 5.313 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[C@@H](C2)C3=O 587450646 NWHFZIBWDHQFGD-AFMDSPMNSA-N 408.538 5.659 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3cccc(Cl)c3)cc1)CC2=O 587462086 NGAWJFGQVVTTLF-HSZRJFAPSA-N 408.881 6.497 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC2=O 587479800 CPNZLFXMVJAZCT-QFIPXVFZSA-N 410.554 6.352 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](c2ccccc2)Oc2cc(O)ccc21 587486683 MHZVICLWUXGLAX-AOYPEHQESA-N 416.473 5.435 0 1 HKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1ccccc1)Nc1ccccc12 587521586 CPKOANUDWNUGLU-IGKIAQTJSA-N 409.485 5.162 0 1 HKAF CC[C@]1(c2cc(F)c(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587556379 JMVVJAGCTZCNGB-PGRDOPGGSA-N 400.352 5.077 0 1 HKAF CCCCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F 587559619 YAEWTWYBUTVBBS-ZJSXRUAMSA-N 408.425 5.413 0 1 HKAF CCc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2ccc(C)cc12 587616831 MKFAXGKGWWLWJP-GJZUVCINSA-N 414.457 5.886 0 1 HKAF COc1ccc2occ([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 587616868 NAMBAGAAOZDEGK-ZJSXRUAMSA-N 402.402 5.024 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2cccc(Br)c2)N1 587680338 PKURKIUXXPFENG-QGHHPUGFSA-N 413.128 5.169 0 1 HKAF COc1cc(Cl)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 587691066 BPKVKFWFLGXGEY-QPFGOUBPSA-N 419.121 5.527 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(C(F)(F)F)c2)N1 587712057 NJBHWQJSQDBUFO-VVVCHXIZSA-N 418.228 5.110 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2Br)N1 587721750 QLBMDXJJWHARPT-BCTVWOGZSA-N 417.091 5.113 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccco1 587750572 ITZUPXIPVYFGGF-LAJNKCICSA-N 417.322 5.271 0 1 HKAF Cc1cccc([C@]2(c3ccccn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587773691 RGTPDZIACDZETE-OYHNWAKOSA-N 411.318 5.118 0 1 HKAF CC(C)CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587795343 REEAIQFYKAZWEQ-LHSJRXKWSA-N 406.339 5.637 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](c3ccccc3)OC2(C)C)N1 587835389 WGRJINZWCIDVTM-PJUBBZNESA-N 404.323 5.258 0 1 HKAF CCCCCCc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587844444 AFMRVPQHPXKLLP-XCLFUZPHSA-N 410.396 6.396 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(Br)c2)N1 587846479 HTYVGIZJKRIYBU-NXSYQRQQSA-N 405.130 5.036 0 1 HKAF Cc1cc(OC(C)(C)C)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O 587943532 GXUMSTWMKSIAQK-UHFFFAOYSA-N 415.436 5.304 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CC3CCCCCC3)[nH]c12 587961300 RNBLDCJHAFCLEQ-UHFFFAOYSA-N 415.459 6.347 0 1 HKAF COc1ccc(C)cc1[C@@]1(C)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961778302 QILVDSOEVPGZCL-AREMUKBSSA-N 422.569 5.418 0 1 HKAF CCCCCc1ccc([C@@]2(C(F)(F)F)c3cc(OC)ccc3CCN2C(C)C)cc1 962086940 DVSNSTACVHRQAN-DEOSSOPVSA-N 419.531 6.500 0 1 HKAF Cc1cccc(CC[C@]2(c3ccc(F)c(Cl)c3)NCCc3c2sc(C)c3C)c1 963004323 BXZLZFGHMDZXDM-XMMPIXPASA-N 413.989 6.488 0 1 HKAF Cc1ccc2nc(-c3ccc(F)cc3)c([C@H]3c4c(F)cccc4C[C@H]4CCCN43)n2c1 963116430 WYAQULAOMYDSPQ-CJFMBICVSA-N 415.487 5.698 0 1 HKAF CC(C)(C)c1ccc([C@@]2(c3cncc4ccccc34)NCCc3ccc(O)cc32)cc1 963340052 FKVFVVCJJMAAMV-MUUNZHRXSA-N 408.545 5.676 0 1 HKAF COc1ccc(C(C)C)cc1-c1cc(Cl)cc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772577912 SNDAWRAAJUGCGL-LJQANCHMSA-N 414.889 5.437 0 1 HKAF CC(C)CNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772603156 AQYXKYVLDIWONM-ACCUITESSA-N 411.509 5.258 0 1 HKAF CC[C@@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356330170 HAUSGVBENZHLGK-FDVBFTCWSA-N 412.746 9.300 0 1 HKAF O=C(O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCCCc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@H]1[C@@H]2[C@H]43 2356570829 XCPLQXFRKHDBSP-MNDCNNRLSA-N 406.522 5.089 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc2c(c1O)C(=O)[C@@H](O)[C@H](c1ccccc1)O2 2356661772 OKUXAUZJIPCHNX-RPBOFIJWSA-N 408.494 5.010 0 1 HKAF CC(C)[C@@H](C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)cc1F 2480208 SWBHGTVPLJZDTR-GFCCVEGCSA-N 404.844 5.715 0 1 HKAF C=C(c1ccccc1)c1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2)n1 13214460 MJYXXNPPRXPPGL-UHFFFAOYSA-N 409.532 8.144 0 1 HKAF COc1cc(OC)c2c(c1-c1c(C)cc(O)c3c(OC)cccc13)C[C@@H](C)N[C@@H]2C 13359227 WPLXJOWQGIILET-HUUCEWRRSA-N 407.510 5.142 0 1 HKAF biogenic CCCCN(CC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(CC)nc12 13553402 ZYEVEEPLVIVOPI-UHFFFAOYSA-N 405.373 6.360 0 1 HKAF CC(C)S(=O)(=O)Nc1ccc2nc(Cc3ccc(Oc4ccccc4)cc3)[nH]c2c1 13560449 ODCZSTMLJZVPMX-UHFFFAOYSA-N 421.522 5.096 0 1 HKAF Cc1ccccc1Sc1ccc2c(-c3c(Cl)cccc3Cl)c(=O)ncn2n1 13864343 WIULXZIMZXTPDW-UHFFFAOYSA-N 414.317 5.523 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3C=Cc4cc(C(=O)O)ccc4[C@@H]3CC[C@]12C)C(C)C 28090751 UNTVUXKLSQXPLR-FZLIGCFJSA-N 409.570 5.583 0 1 HKAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1ccc(Cl)cc1)C(F)(F)F 28568091 AGGMHZBJHNUETP-IBGZPJMESA-N 404.831 5.692 0 1 HKAF COc1ccc([C@@H]2C[C@@H]2C(=O)O)cc1-c1cc2c(cc1C)C(C)(C)CC(=O)N2C(C)C 28952272 BMAVXZVUHVOIPQ-ICSRJNTNSA-N 421.537 5.281 0 1 HKAF CCO[C@@H]1Cc2ccccc2[C@@H]1Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC 28956403 ZMRNNGNFCBYSLG-GGAORHGYSA-N 418.541 5.212 0 1 HKAF O=C(c1cc2c(cc1F)OC(c1ccccc1)(c1ccccc1)O2)N1CCCCC1 29054736 XTESHPWNXCEONX-UHFFFAOYSA-N 403.453 5.124 0 1 HKAF CCCn1nc(-c2ccc(OC)cc2)c2c1/C(=C/c1ccc(OC)cc1)CSC2 29307412 JHTBTVUCYYBDDA-XMHGGMMESA-N 406.551 5.765 0 1 HKAF Cc1nc(SCc2ccccc2)n(Nc2cccc(Cl)c2)c1-c1ccccc1 29333854 GCJQOHQIDNNXCD-UHFFFAOYSA-N 405.954 6.679 0 1 HKAF COc1cc(NCCCCCCN2C[C@H](C)S[C@@H](C)C2)c2nccc(C)c2c1 29569572 SDXSTJJYEAQNOP-OALUTQOASA-N 401.620 5.350 0 1 HKAF Oc1ccc(-c2nc(-c3ccc(O)cc3)n(-c3ccc(O)cc3)c2-c2ccccc2)cc1 35325087 WYFLOIAQDNIEKG-UHFFFAOYSA-N 420.468 5.990 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@@H]3CC[C@H]1/C(=C/c1ccc(-c4ccc(OC)cc4)cc1)CN2C3 36270863 AMHYXJZDPUGVJV-JULKCUBSSA-N 417.549 5.039 0 1 HKAF COc1ccc(NCCCOc2ccc(-c3nc4c(ccc5ccccc54)o3)cc2)cc1 40846867 JNCOAILBEHFYSU-UHFFFAOYSA-N 424.500 6.538 0 1 HKAF Cc1oc(-c2ccccc2)nc1C/C=C/c1ccc(C[C@H](C(=O)O)n2cccc2)cc1 40918915 ZDSICGBVBMSSBE-PRSVDJLGSA-N 412.489 5.576 0 1 HKAF Cc1cccc2[nH]c(-c3cccc(-c4ccc(CNCc5cccc(N)c5)cc4)c3)nc12 45210499 BETFLSYULUHMAV-UHFFFAOYSA-N 418.544 6.077 0 1 HKAF C[C@H](Cc1ccc(Oc2ccccc2)cc1)NC[C@@H](O)c1cccc(C(F)(F)F)c1 45227056 VEMKGZQACSFDPC-UZUQRXQVSA-N 415.455 5.752 0 1 HKAF CC(=O)N[C@@H](C)c1ccc(-c2ccc(Oc3cccc(Oc4ccccc4)c3)nc2)cc1 45334798 IMNLLULRLRVSSI-IBGZPJMESA-N 424.500 6.530 0 1 HKAF Cc1cc(C)c(-c2cccc(COc3ccc4c(c3)OC[C@@H]4CC(=O)O)c2)c(C)c1 59570230 AQKJHSVMUFRPBD-NRFANRHFSA-N 402.490 5.809 0 1 HKAF Nc1c(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccc2nccnc12 63298242 DOLVPVSWTLFZMQ-UHFFFAOYSA-N 423.398 5.542 0 1 HKAF Fc1cc(F)cc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c1 66167039 DPMZLTILZOHTHA-UHFFFAOYSA-N 400.479 5.020 0 1 HKAF C[C@@H]1C[C@@H](C)CN(c2ncc(-c3nc4ccccc4s3)c(-c3ccc(F)cc3)n2)C1 82164589 OQSHMWCWIOYBHD-HZPDHXFCSA-N 418.541 6.042 0 1 HKAF O=C(O)CC1=C/C(=C\c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c2ccc(F)cc21 84724473 FBJFBJSUIISFFM-WOJGMQOQSA-N 424.393 6.924 0 1 HKAF CCN(CC)C(=O)[C@H]1Sc2cccc(OC)c2-c2c1c1ccccc1n2CCF 96909197 QJQTZNPNVAWAGZ-QFIPXVFZSA-N 412.530 5.302 0 1 HKAF CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccsc2)C2=C(O)CC(C)(C)CC2=N1 100632868 LDBZZIDGXREODI-FQEVSTJZSA-N 410.514 5.970 0 1 HKAF OC1=C2C(=Nc3nc4ccccc4n3[C@@H]2c2cccc(F)c2Br)CCC1 103539403 XAOBRSIIQJXPIO-LJQANCHMSA-N 412.262 5.609 0 1 HKAF Cc1ccc(-c2c([C@@H](CC3CC3)C(=O)O)c(C)nc3sc4c(c23)CCCC4)cc1 113123738 YFHZZJZFHCSGMJ-LJQANCHMSA-N 405.563 6.427 0 1 HKAF Cc1ccccc1-c1nc(CN2CCC[C@H](C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)C2)c(C)o1 227332747 VUWRBUAIYNWXQK-QXPQREGVSA-N 423.601 5.111 0 1 HKAF C/C(=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](C)C(C)C 255233802 MGWRVECYAHBEFQ-FZCLYCEDSA-N 412.702 7.801 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 586879619 UXCNWJXTQJZWQD-UHFFFAOYSA-N 406.388 5.399 0 1 HKAF Brc1ccc(Br)c2[nH]c(-c3ccc(C4CCC4)cc3)nc12 586881261 SCNSEUSCRVHIPQ-UHFFFAOYSA-N 406.121 6.022 0 1 HKAF COC(=O)c1cc(Br)c2[nH]c(-c3cccc(-c4ccccc4)c3O)nc2c1 586896494 MSOOVLGRQFYWES-UHFFFAOYSA-N 423.266 5.152 0 1 HKAF CC[C@@H]1OCCC[C@@H]1c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 586907502 AVLYCUOPRAJFRJ-YJBOKZPZSA-N 417.431 5.507 0 1 HKAF CCCCOc1cc2[nH]c(-c3ccc4oc(=O)ccc4c3)nc2cc1Br 586916692 UPRJHASPRMTMNV-UHFFFAOYSA-N 413.271 5.278 0 1 HKAF CC(C)COc1cc2nc([C@@H](C)SCc3ccccc3)[nH]c2cc1Br 586963446 NXYWFDBJWHRYKK-CQSZACIVSA-N 419.388 6.355 0 1 HKAF Cc1ccc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)c(C)c1 586992197 ZHPKANKZZIZQDY-UHFFFAOYSA-N 409.441 5.063 0 1 HKAF Clc1ccnc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc12 586999166 XNGGWTAUVQRUKK-SOFGYWHQSA-N 400.663 5.804 0 1 HKAF Clc1cccc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c12 587022058 UVFOSDSLAKJUIK-UHFFFAOYSA-N 403.898 6.145 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c([C@H]3SCCc4sccc43)nc2c1 587036436 BELMAEDBKBEGNX-ZDUSSCGKSA-N 408.392 6.041 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c2)c1 587048495 BTSUYQAHMUMMDK-UHFFFAOYSA-N 412.779 5.684 0 1 HKAF Nc1ccc(-c2ccc3nc([C@H]4C[C@H]4c4c(Cl)cccc4Cl)[nH]c3c2)cc1N 587051957 WJPXBQNBWNENAX-KGLIPLIRSA-N 409.320 5.972 0 1 HKAF COc1cc(-c2nc3cc(OC)c(C)cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143574 JMRMIBWAHJYDOI-UHFFFAOYSA-N 406.413 5.060 0 1 HKAF Cc1c(Br)cnc2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc12 587153368 ZEDPRTIHYQGCLT-GOSISDBHSA-N 411.278 5.369 0 1 HKAF COc1cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)nn1-c1ccccc1F 587157168 XAMWUHVFUSOTFB-UHFFFAOYSA-N 400.413 5.356 0 1 HKAF Cc1c(Br)cc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2c1C 587159296 XFDCEBPQMYRDAF-UHFFFAOYSA-N 423.285 6.228 0 1 HKAF CNc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c2)c1 587235637 PGEFYBPWASDLER-UHFFFAOYSA-N 401.819 6.611 0 1 HKAF C[C@@H]1CCC[C@@H](N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 587345382 OXVOQUNBUABPLD-PWAGRJGVSA-N 423.528 5.304 0 1 HKAF COc1cccc(-c2c(Cc3cnc(OC)cc3C)cnc3c2oc2ccccc23)c1 587364370 VEKHGWJHPALCGF-UHFFFAOYSA-N 410.473 5.959 0 1 HKAF COc1cccc(-c2c(Cc3ccc4c(c3)OCO4)c(C)nc3c2oc2ccccc23)c1 587365527 NAEPWSCMQJFBJK-UHFFFAOYSA-N 423.468 6.285 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ccc1OCc1ccccc1C)O2 587375966 BEDDKPLIUUPWNN-QHCPKHFHSA-N 407.897 5.825 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(C)c(C)c3)nc3sccn13)O2 587415473 SZCGIZMSSTZMKF-LJQANCHMSA-N 403.507 5.277 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccccc4)nc1-c1ccccc1)[C@@H](C2)C3=O 587433224 WPGUFEBREAFVLW-KDYSTLNUSA-N 422.484 5.096 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(O[C@H](C)CC)c(OC)c1)CC2=O 587460011 KKOPQQFNHFMIDZ-ZUOKHONESA-N 418.917 5.891 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3ccc(Oc4ccccc4)cc31)CC2=O 587475717 CDLMSSSZYCYWQE-MHZLTWQESA-N 414.501 6.334 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccccc3OC)cc1)CC2=O 587483008 TWPDHBSDFQMKBG-SANMLTNESA-N 402.490 5.901 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OC(=O)c3cccc(C)c3)c1)CC2=O 587484171 WYWROQFRAVWPQW-DEOSSOPVSA-N 416.473 5.579 0 1 HKAF Cc1cc(Cl)cc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C(C)(C)C)[nH]c12 587500531 PQDJEDAYSDPKNL-NRFANRHFSA-N 421.968 7.013 0 1 HKAF O=C1C[C@H](c2cn(-c3ccc(Cl)cc3Cl)nn2)Oc2c1ccc1c2CCCC1 587502808 FJXCYTFANNFEPP-HXUWFJFHSA-N 414.292 5.159 0 1 HKAF O=C(O)CC[C@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587507451 QPKCHIPALLXKTA-JOCHJYFZSA-N 419.304 5.598 0 1 HKAF CC(C)N1CCCc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587592038 HEVJANOBAIRYLX-BVAGGSTKSA-N 415.489 5.256 0 1 HKAF Cc1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 587600183 MQJMWQYZRTZYFA-IGKIAQTJSA-N 424.452 6.196 0 1 HKAF Cc1ccccc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587600901 DALPCRSOKVOMBV-RPLLCQBOSA-N 408.453 6.071 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601467 GJRKOWJZUFOESW-RPLLCQBOSA-N 408.453 5.606 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H](Cc1ccccc1)C2 587604740 VYANSHLVNQORDP-BLFHIAQRSA-N 400.474 5.526 0 1 HKAF COc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 587616443 KFCUOKSKWMDVHA-DHLKQENFSA-N 414.413 5.364 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(c3ccc(Cl)cc3)CC2)N1 587700906 UCYJXKLCUHHAFX-PCODGMICSA-N 422.769 6.329 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cccc2OC(F)F)N1 587717070 KKPLPLMNGLWGHO-PWJLMRLQSA-N 420.656 5.467 0 1 HKAF CC(C)CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587795804 RQOZONUNFJIZKS-OYHNWAKOSA-N 420.366 5.811 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H](Cc3ccccc3)C2)N1 587818991 UCMTWBIIXTUREY-ZWWNWMABSA-N 402.351 5.751 0 1 HKAF CC[C@]1(C)C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2O1 587832311 JLTBBVIECRFBMS-DYXDTQHNSA-N 404.323 5.317 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2c(s1)C[C@@H](C)CC2 587863800 JGDCLMFUNZPUME-LBPRGKRZSA-N 420.456 5.452 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2cccc(C)c2)o1 587871916 PVHQQQICMUFRDA-UHFFFAOYSA-N 420.440 5.257 0 1 HKAF NC(=O)c1ccc(-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)cc1 587922938 ILTWVKKXVOSBEW-UHFFFAOYSA-N 413.477 5.863 0 1 HKAF Oc1ccc(OCCCc2ccccc2)n1-c1ccc(-c2cccc(F)c2)c(F)c1 587943454 CEFBRFCQTAJXPP-UHFFFAOYSA-N 405.444 6.140 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cccnc2[nH]1 587959309 LJDIILUODXUYGX-XSCOUVMYSA-N 403.614 7.812 0 1 HKAF C[C@@H]1CC[C@H]2C=C3CC[C@@H](CCCCCCCCCCCC(=O)O)N3[B-](F)(F)N21 914431428 NPOWJWDCKUAFLV-AQNXPRMDSA-N 411.366 5.952 0 1 HKAF CCCCCc1ccc([C@]2(CCCCC(=O)O)NCCc3cc(C)c(F)cc32)cc1 962147383 PCYAJAKPGUBVBB-SANMLTNESA-N 411.561 5.901 0 1 HKAF Clc1c[nH]c2nccc-2c1[C@@H]1c2ccccc2C[C@@H]2CN(c3ccccc3)CCN12 962632744 LOKWJZPIFMEJHY-DVECYGJZSA-N 414.940 5.004 0 1 HKAF COc1ccc2c(c1OC)[C@H](c1ccn(-c3c(C)cc(C)cc3C)c1)N(C)[C@@H](C)C2 962638289 PGMDBLFWNHDLFT-DFBJGRDBSA-N 404.554 5.386 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCc2ccccc2)(c2ccccc2Cl)N1 962941812 FDBXDOJCUNWYKO-HRFSGMKKSA-N 414.980 6.622 0 1 HKAF Cc1ccccc1CC[C@]1(C2CCCC2)c2ccsc2CCN1Cc1cccnc1 963003832 DPOUEFLOWRUGQV-MHZLTWQESA-N 416.634 6.528 0 1 HKAF Cc1cc(C)cc(CC[C@]2(c3cc(C)ccc3C)NCCc3c2sc(C)c3C)c1 963010368 NPSXCSSNBPONSY-HHHXNRCGSA-N 403.635 6.621 0 1 HKAF CC1=C2CCN(Cc3ccccc3)C[C@@H]2CC[C@@]12c1ccc(F)cc1C[C@@H]1CCCN12 963118577 ZRMYRIUFHIXZNZ-ULNCZQIZSA-N 416.584 5.674 0 1 HKAF CC1(C)OC(=O)N([C@H]2CC[C@H](c3nnc(-c4ccccc4)o3)CC2)[C@@H]1c1ccccc1 1772588376 KMFHNUGFNIBTEZ-NJDAHSKKSA-N 417.509 5.735 0 1 HKAF COc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3)Oc3cc4c(c(N)c32)CCCC4)cc1 1772632441 MOXOTJQEMDQHML-JOCHJYFZSA-N 423.516 5.832 0 1 HKAF FC(F)(F)C[C@@H](c1cccs1)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12 1857587987 NRURPLQDLUXFAA-INIZCTEOSA-N 405.872 7.634 0 1 HKAF C1=CCN2C=CC(=NCCCCCN=C3C=CN(C1)c1ccccc13)c1ccccc12 1857627153 YEHZTOPIJHUADS-UHFFFAOYSA-N 408.549 5.373 0 1 HKAF CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]([C@@H](C)[C@H](O)CCC(C)C)[C@@]4(C)CC[C@@H]32)C1 2356585834 DNOWADDTTWTLLY-WYIZAALGSA-N 416.690 7.014 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]1CC[C@@H]1[C@@H]2CC=C2C[C@@H](O)CC[C@]21C)C(C)C 2356662090 BXOXOWBUVFPMTG-DKBPNWFJSA-N 400.691 7.635 0 1 HKAF CCOc1ccc(C2=Nc3cc(C)ccc3NC(c3ccncc3)=N2)cc1OCC 6743672 QMTVLFAXCAXVIQ-UHFFFAOYSA-N 400.482 5.138 0 1 HKAF CCC(=O)N(c1ccccc1)C1(c2nccs2)CCN(CCc2ccccc2)CC1 26508646 BSOGYUOSODTVSX-UHFFFAOYSA-N 419.594 5.120 0 1 HKAF COC(=O)N1C[C@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)c(Cl)c1 27522203 ICQKWAQKBISVLL-RHSMWYFYSA-N 416.688 5.192 0 1 HKAF O=C1NC(=O)/C(=C/c2ccc(OCCn3c4ccccc4c4ccccc43)cc2)S1 27875321 OLGGEDZOXPFAFI-JCMHNJIXSA-N 414.486 5.197 0 1 HKAF CCCCOC(=O)[C@H]1C[C@@H](c2[nH]c(CCCC)nc2Cl)N(c2ccccc2)O1 28350894 MPOYUINHKJFZKL-DLBZAZTESA-N 405.926 5.001 0 1 HKAF CCC[C@@H](C)Nc1ncnc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc12 28356356 XBWNAUFEINAEIY-CQSZACIVSA-N 405.452 5.633 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)n2ccnc2)C(C)(C)CC[C@H]1n1ccnc1 28637588 YATHTDAMJIBVQL-HFANYONCSA-N 416.569 6.103 0 1 HKAF CC(C)(C)c1cc(-c2cc(=O)c3ccc(OCCO)cc3o2)cc(C(C)(C)C)c1O 40380259 PXWYUVUAJAAGFS-UHFFFAOYSA-N 410.510 5.132 0 1 HKAF O=C(CCc1c[nH]cn1)Nc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 45195689 ANNIDAVZGUILRC-UHFFFAOYSA-N 407.477 5.191 0 1 HKAF Cc1cccc2[nH]c(-c3cccc(-c4cccc(C(=O)NCCN5CCCC5)c4)c3)nc12 45302725 WQHPGEKQUJKUKS-UHFFFAOYSA-N 424.548 5.031 0 1 HKAF CNCCNCc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 45334884 VYLVQKOPDFDWSR-UHFFFAOYSA-N 424.470 5.225 0 1 HKAF CCCOCCCNC(=S)Nc1cc(OCCC)c(Cl)cc1OCCC 66080003 DPAUQPCRMQSJCU-UHFFFAOYSA-N 402.988 5.021 0 1 HKAF Fc1cccc(Sc2cc3ccccc3[n+](CCCCCc3ccccc3)c2)c1 71317890 GXMQPORPSYJLBO-UHFFFAOYSA-N 402.558 6.831 0 1 HKAF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NC2CCCCC2)nc1-c1ccc(F)cc1 82136257 FTTCEAMHBGMJFQ-KKSFZXQISA-N 410.537 5.336 0 1 HKAF CCCCNc1ncc(C(=O)N[C@@H](C)CC)c(-c2ccc(-c3ccccc3)cc2)n1 82153808 BTLWAVNQSJJLLF-SFHVURJKSA-N 402.542 5.551 0 1 HKAF Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N2CCCC2)c1 82216788 NIXYQFLWAAPVBG-TZEULACYSA-N 418.585 5.171 0 1 HKAF COc1c(CC=C(C)C)c(O)cc2c1[C@@H]1Oc3cc4c(cc3[C@@H]1CO2)C=CC(C)(C)O4 85955994 SVHCNENPWOPFOI-AVRWGWEMSA-N 420.505 5.703 0 1 HKAF endogenous,in-man Oc1cccc([C@]23CCN(CCc4ccccc4)[C@@H](Cc4[nH]c5ccccc5c42)C3)c1 100725711 VKQDNMNJRBVFMC-RBISFHTESA-N 408.545 5.423 0 1 HKAF CCN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(-c2ccccc2)cc1 103266128 LAXJXFSEENIJJE-UHFFFAOYSA-N 412.577 5.728 0 1 HKAF CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccccc2)C2=C(O)CC(C)(C)CC2=N1 103544253 MPDMKTMPQMZUDS-DEOSSOPVSA-N 415.533 5.917 0 1 HKAF CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C)s2)C2=C(O)CC(C)(C)CC2=N1 104008090 URIQQZCOIFGORV-QHCPKHFHSA-N 421.562 6.244 0 1 HKAF NC1(c2ccc(-c3nc4cc(Br)ccn4c3-c3ccccc3)cc2)CCC1 113654223 FBANRZKZWPNHSN-UHFFFAOYSA-N 418.338 5.769 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(CCCO)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 141085821 UPHXRVZRRMJRQX-KOATWEQASA-N 409.614 5.621 0 1 HKAF C[C@H](CCCc1ccc(F)cc1)c1cc(O)c2c3c(c(=O)oc2c1)N1CCC3CC1 143127327 FTBYATCBLSHCCD-OAHLLOKOSA-N 407.485 5.462 0 1 HKAF Fc1cccc(F)c1CNc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1 149811070 NATALHCUHSIDAV-UHFFFAOYSA-N 410.754 5.614 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCCC(=O)N1Cc1ccccc1-c1ccccc1 166711830 HNVARYMSRAYOLM-QHCPKHFHSA-N 415.533 6.015 0 1 HKAF COc1cc(N[C@@H](C)CCCNc2ccnc3cc(Cl)ccc23)c2ncccc2c1 169327015 XGGLHZNSHPBQNK-INIZCTEOSA-N 420.944 6.138 0 1 HKAF C[C@@H](CCCCc1ccc(F)cc1)c1cc(O)c2c3c(c(=O)oc2c1)CC[C@@H](C)C3 169344031 LZZHUHCWGBVPKU-SJORKVTESA-N 408.513 6.279 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@H]1c1ccc(-c2ccccc2)c(F)c1 169728397 JDBBGSVRIRQZTP-BJKOFHAPSA-N 419.496 5.483 0 1 HKAF C[C@@H](NCc1cc2cc(OCc3ccccc3)ccc2[nH]1)c1cccc2ccccc12 200331218 ALQXJYXDVNQDJH-HXUWFJFHSA-N 406.529 6.751 0 1 HKAF COc1cc(-c2cnc(C)n2C)ccc1Nc1cc2cc(-c3cnn(C)c3)ccc2cn1 207742801 WRODWFBJNYLOMF-UHFFFAOYSA-N 424.508 5.096 0 1 HKAF Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc(C(C)(C)C)n1C1CCN(C)CC1 220775738 TUHWPYBFZVUGKV-UHFFFAOYSA-N 421.507 5.632 0 1 HKAF OC(c1ccccc1)(c1ccccc1)C1CCN(Cc2ccc(-n3cccc3)cc2)CC1 299835713 LHXGULVAQGYACV-UHFFFAOYSA-N 422.572 5.625 0 1 HKAF Clc1nccc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1Br 586979346 LFDGRHYKYVMEFN-UHFFFAOYSA-N 400.663 5.833 0 1 HKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc3c(c2[nH]1)CCCC3 586982758 PPSFWNMDXUACSB-SFHVURJKSA-N 411.387 6.577 0 1 HKAF Cc1cc(Br)c2nc(-c3ncc(NC(=O)OC(C)(C)C)s3)[nH]c2c1 587023311 NANZBHLWIPMNSB-UHFFFAOYSA-N 409.309 5.104 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc4ccccc4cc3[nH]2)C[C@@H]2CCCC[C@@H]21 587028469 YHMFCCGPXJECAS-VJBMBRPKSA-N 415.562 5.853 0 1 HKAF Clc1ccccc1OCc1ccc(-c2nc3ncc(Br)cc3[nH]2)o1 587065014 RKMHKOCNYIQHFF-UHFFFAOYSA-N 404.651 5.213 0 1 HKAF COc1cc(Cl)ccc1-c1nc2cc(Br)c(Br)cc2[nH]1 587066241 LAAWMDMWAOLYCV-UHFFFAOYSA-N 416.500 5.417 0 1 HKAF Oc1ccccc1-c1cc(-c2nc3cc(F)cc(F)c3[nH]2)c2cccc(Cl)c2n1 587082252 KSWNXHDNIOYMRA-UHFFFAOYSA-N 407.807 6.082 0 1 HKAF Cc1ccc2c3c(c(CC(=O)O)c(-c4ccc(Cl)s4)nc13)-c1ccccc1C2=O 587102918 SBWOZSMRFNSDHS-UHFFFAOYSA-N 419.889 5.764 0 1 HKAF Cc1nc2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc2cc1Br 587124093 IENDVRCWWUBNOY-DAXSKMNVSA-N 414.250 5.811 0 1 HKAF Oc1c(Br)ccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c12 587145643 OXLNRNMUEXBZOB-UHFFFAOYSA-N 401.210 5.643 0 1 HKAF COC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327936 ILUIZBVJSPLUPL-FYYLOGMGSA-N 412.844 5.086 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ncc[nH]2)(C2CCCCC2)[C@@H]1c1ccc(F)cc1 587350605 XLEUQDDGNMXXGK-ZJSXRUAMSA-N 406.457 5.089 0 1 HKAF O=Cc1cccc([C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587354121 MZHLEEVCEFRRBB-NOZRDPDXSA-N 402.421 5.008 0 1 HKAF O=C1c2ccc(O)cc2OC2(CCC(c3ccccc3)CC2)[C@H]1c1ccc(F)cc1 587356230 ZRZFGPXHWJRAPF-OUXPZVHUSA-N 402.465 5.987 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)[nH]c3cc(Br)ccc13)O2 587370522 FROPEMVXVTTWJJ-HNNXBMFYSA-N 405.679 5.181 0 1 HKAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccccc1C 587401325 WASXRYZAWSAHBT-XMMPIXPASA-N 417.505 5.570 0 1 HKAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1CSc1ccccc1 587411445 ZYNCKKNPMAZGPW-QHCPKHFHSA-N 405.519 5.585 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC(=O)Nc1ccccc1)(c1ccccc1)CC2=O 587471403 RVCYQQLLHLWPCI-AREMUKBSSA-N 415.489 5.234 0 1 HKAF CC(C)(C)C(=O)Nc1nc(Cl)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501188 RBZQTGXGMIYFQN-SFHVURJKSA-N 412.917 5.305 0 1 HKAF CC[C@]1(c2ccc(-c3ccccc3F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502974 JLTBORFWKMFJPQ-HHHXNRCGSA-N 400.493 6.642 0 1 HKAF CC(C)(C)OC(=O)c1cc(F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1 587508195 SVWZMDUADISLKB-HXUWFJFHSA-N 414.448 5.505 0 1 HKAF Nc1sc2c(c1[C@]1(c3ccccn3)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 587534159 BEHVVTGOZATUJI-RUZDIDTESA-N 416.546 5.002 0 1 HKAF CC(C)(C)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549330 RRFPDGHTAVFBMK-HYBUGGRVSA-N 408.881 5.949 0 1 HKAF CC(C)(C)c1[nH]c2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588741 LJZRAIUFJXBLDA-URXFXBBRSA-N 413.473 5.874 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccs2)s1 587611311 HWIOWFPFEYLDGO-KNQAVFIVSA-N 406.484 5.885 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(Cc3ccccc3F)c(Sc3cc(C)ccc3C)c2c1 587640917 GNXOJDHTONQXBT-SFHVURJKSA-N 417.593 8.179 0 1 HKAF CS(=O)(=O)c1ccc2[nH]c(C(F)F)c(C(=O)c3ccc(Cl)c(Cl)c3)c2c1 587650262 QIWRQANQHOPNGC-UHFFFAOYSA-N 418.248 5.047 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cccnc2Cl)N1 587702512 DNBVKBHXBDEUQX-ZMZPIMSZSA-N 420.713 5.051 0 1 HKAF COc1ccc(C(F)(F)F)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587713700 UKBVJJPTPSHETM-VVVCHXIZSA-N 418.228 5.239 0 1 HKAF COc1cccc(C)c1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587786760 MMBHTBMDLIBBBZ-UHFFFAOYSA-N 403.320 5.734 0 1 HKAF CC[C@H](C)Oc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587798243 YVVHQIWKWUNZIZ-RRMDADRESA-N 422.338 5.398 0 1 HKAF COc1ccc(C(C)(C)C)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587810991 YSZXXTDDIUJXAI-YUNKPMOVSA-N 406.339 5.518 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cc3ccccc3)cc2)N1 587815862 QSOIJVVNAMXGIP-VOIUYBSRSA-N 424.357 5.977 0 1 HKAF CC(C)c1cc([C@]2(C(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587822760 QYOLDODHNUYPHZ-FPTDNZKUSA-N 420.366 5.851 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SC(C)(C)C)cc2)N1 587841155 QDABFAMVLFJXLW-BUXKBTBVSA-N 408.380 6.102 0 1 HKAF Cc1cccc([C@@]2(c3ccc(F)cc3)c3ccsc3CCN2Cc2cccnc2)n1 962991931 GHCYOEMZNFGWAB-RUZDIDTESA-N 415.537 5.336 0 1 HKAF Clc1nc(Cl)c([C@H]2c3ccsc3CCN2Cc2cccnc2)c(Cl)n1 963000660 WGFOSNQRFRKECL-CQSZACIVSA-N 411.745 5.041 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1ccc(-c2cccc(C(=O)O)c2)cc1 963062871 XXCAAMCYIAMFIR-MHZLTWQESA-N 424.500 5.018 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)CC(=O)Nc1ccc(Br)cc1 963239072 JBJZOTBMJLRXCM-KSFYIVLOSA-N 415.375 5.350 0 1 HKAF COc1ccc(C(C)C)cc1-c1cc(F)cc([C@@H](CC(=O)O)c2ncc(C)s2)c1 1772582984 VHAYMOCNJJZVNU-HXUWFJFHSA-N 413.514 5.996 0 1 HKAF CC(C)(C)c1nc(Nc2ccc(Cl)cc2)sc1Cc1ccc2c(c1)OCO2 1772634448 BRJPNOATEDPQTA-UHFFFAOYSA-N 400.931 6.157 0 1 HKAF COc1ccc(CC(=O)Nc2ccccc2-c2cccc3c2[nH]c2ccccc23)cc1 1857642946 QKZPXHZSKSKABG-UHFFFAOYSA-N 406.485 6.178 0 1 HKAF CC1=C[C@H](CNCc2cccnc2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 2356301725 CTDZLRSFKCRXKA-RBZQAINGSA-N 416.569 5.319 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C(OCC[C@@]21C)[C@]1(C)CC[C@H](O)CC1=CC3 2356418499 KWWIDBSRZVKILE-ASNMRXPPSA-N 400.647 7.037 0 1 HKAF CC(C)CCCCCCCCCCCCCCC=CCCC=CCCCC(=O)O 2356486072 DNEGLXLXJLONIP-UHFFFAOYSA-N 406.695 9.251 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@@H]3C(=CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]2C1 2356682029 DHMXQDJRIWEARK-USVVPODMSA-N 410.686 7.987 0 1 HKAF COc1c(CC=C(C)C)c(O)cc2c1[C@@H]1Oc3c(CC=C(C)C)cccc3[C@@]1(O)CO2 2356684569 RVMXTZWFKVXQMJ-UIOOFZCWSA-N 422.521 5.132 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)C=CC(C)C)CC[C@@H]32)C1 2356744152 HJWVRQICRBWPME-NEBILRMLSA-N 412.658 7.345 0 1 HKAF COc1ccc(Br)cc1-c1onc(C(C)(C)C)c1C(=O)NC1CCCC1 775550 PBRHORAWWVTMGW-UHFFFAOYSA-N 421.335 5.083 0 1 HKAF O=C(NC1CCCCC1)c1c(-c2ccc(F)cc2)noc1-c1c(F)cccc1Cl 2484649 MPTWQEVJPQVPFH-UHFFFAOYSA-N 416.855 6.003 0 1 HKAF COc1ccc2cc(O)c(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc2c1 6484989 FIQZKGVJJVFFQF-UHFFFAOYSA-N 410.882 5.583 0 1 HKAF O=C1NCc2cc(Nc3ccc(F)cc3F)ccc2N1c1c(Cl)cccc1Cl 13588788 HUYPKVUIYSQWAT-UHFFFAOYSA-N 420.246 6.377 0 1 HKAF CCCCCn1cc(C(=O)N[C@@H](C)c2ccc3ccccc3c2)c(=O)c2ccccc21 13678339 BOURBCAYHOFUDB-IBGZPJMESA-N 412.533 5.836 0 1 HKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCN(C(=O)CO)C=C21 26258917 AHGMWEWSNMOGNW-QKLQHJQFSA-N 415.574 5.065 0 1 HKAF CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCc1ccc(O)c(OC)c1 33984313 OAQVNHWNJRZYDE-YSTUJMKBSA-N 413.602 6.607 0 1 HKAF CCOc1ccc([C@@H]2N=NC(C3=C(O)c4ccccc4C3=O)=C[C@H]2c2ccccc2)cc1 34133050 YVXPJXPFXRUBAW-DHLKQENFSA-N 422.484 6.426 0 1 HKAF biogenic CCCCC[C@@]1(c2ccccc2)CC(=O)[C@H](Sc2ccccc2C(C)C)C(=O)O1 36140300 QLVSGNQNTLCWPY-ZCYQVOJMSA-N 410.579 6.263 0 1 HKAF COc1ccc(Br)c(CC2CCN(CCc3ccccc3Cl)CC2)c1 39351185 BFEUCMOJXSMTKZ-UHFFFAOYSA-N 422.794 5.608 0 1 HKAF Clc1ccc(Cl)c(Nc2nc(C(Cl)(Cl)Cl)nc3ccccc23)c1 43013124 LJTNRWKSOJQOEY-UHFFFAOYSA-N 407.515 6.507 0 1 HKAF CCCCCC[C@@H](O)C/C=C\CCCCCCCc1nnc(Nc2ccccc2)o1 49033371 KSZSQGOTIGVGKC-QQWLQNCRSA-N 413.606 6.974 0 1 HKAF CC(C)CCC[C@@H](C)CCC[C@H](C)CCNCCNC1C2CC3CC(C2)CC1C3 49054080 OMMRNNMMBCQXFB-YMRPZUHKSA-N 404.727 6.649 0 1 HKAF CCN(C(=O)c1ccc2c(c1)CCCC2)c1ccnc(N[C@@H](C)c2ccccc2)n1 49055280 HYSZMLOSXPVMSG-SFHVURJKSA-N 400.526 5.195 0 1 HKAF OCCN(Cc1ccccc1)c1cc(Oc2ccc3oc4ccccc4c3c2)ncn1 82067316 IKBLMMGCDHWBRU-UHFFFAOYSA-N 411.461 5.167 0 1 HKAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccccc2F)C1 82151476 LHRUUZRTFDZZHN-ROUUACIJSA-N 424.564 5.678 0 1 HKAF Cc1nc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc(F)cc2)sc1C 82164351 FWHQENJBUIDOJR-UHFFFAOYSA-N 424.932 6.289 0 1 HKAF Cc1cccc(CNc2nc(-c3cccc(C)n3)c(-c3ccc4ncnn4c3)s2)c1 84730864 DSKSACIENVKOMV-UHFFFAOYSA-N 412.522 5.144 0 1 HKAF c1ccc(CNCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)nc1 95561214 XMOSBLJPEBOIEB-UHFFFAOYSA-N 416.613 6.051 0 1 HKAF Fc1cccc2[nH]cc([C@H]3CC[C@@H](N4CCN(c5cccc6[nH]ccc56)CC4)CC3)c12 101182327 VMZQQRPOHNPIKW-WGSAOQKQSA-N 416.544 5.637 0 1 HKAF OC1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@@H](C1)N2Cc1csc2ccccc12 101185277 VFPMJQLPEIDGKV-IRXDYDNUSA-N 418.389 6.223 0 1 HKAF CCOc1ccccc1[C@H]1C2=C(O)CCCC2=Nc2nc(-c3cccc(Cl)c3)nn21 103541875 KDMGGLMVUPOJTJ-NRFANRHFSA-N 420.900 5.669 0 1 HKAF CCOc1ccccc1[C@H]1C2=C(O)C[C@@H](c3ccccc3)CC2=NC(C)=C1C(=O)OC 103544065 KYFPGPXUVIDZIA-MHECFPHRSA-N 417.505 5.460 0 1 HKAF CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1 104078134 UFBMRHXFEMMDBC-HSZRJFAPSA-N 416.521 5.312 0 1 HKAF COc1ccccc1-n1nc(C2CC(C)(C)OC(C)(C)C2)cc1-c1ccc(C)nc1 145505879 ACOTUHHBXOJGFA-UHFFFAOYSA-N 405.542 5.703 0 1 HKAF c1ccc(C2=NN=C(c3ccccn3)[C@@H]3[C@@H]4C[C@H]([C@@H]5[C@@H]6C[C@@H](c7ccccc76)[C@H]54)[C@@H]23)nc1 169294237 QAEQEAQDVFBXJR-MKADWGDSSA-N 416.528 5.083 0 1 HKAF O=C(O)COc1ccc(F)c(NCc2c(F)ccc(-c3cccc(F)c3)c2F)c1F 218915915 CTGLXZFBGOVYCN-UHFFFAOYSA-N 423.337 5.125 0 1 HKAF Oc1c(-c2ccccc2)cccc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586896120 GUUYEWIOYUCKEE-UHFFFAOYSA-N 404.775 6.155 0 1 HKAF CCc1c([C@H](C)NC(=O)OC(C)(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586988057 XEIYKBBNEAMZFZ-ZDUSSCGKSA-N 418.493 5.300 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(-c5ccc(F)cc5)s4)nc13)-c1ccccc1C2=O 586996215 QLISMQGCMADDPA-UHFFFAOYSA-N 421.496 7.289 0 1 HKAF Cc1ccc2c3c(cc([C@H]4CCN(C(=O)OC(C)(C)C)C4)nc13)-c1ccccc1C2=O 587097674 PCVWGIHUFUWWGJ-INIZCTEOSA-N 414.505 5.479 0 1 HKAF COC(=O)c1oc2c(c1C)-c1nc3c(C)ccc4c3c(c1CC2)-c1ccccc1C4=O 587101527 OABYXNKUCDKOAA-UHFFFAOYSA-N 409.441 5.208 0 1 HKAF Fc1cc(Br)c2[nH]c(-c3cc(Br)c(F)cc3F)nc2c1 587136009 JVUIHQYSMSWIPY-UHFFFAOYSA-N 405.999 5.172 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(OC)c(C)cc4[nH]3)cc2F)c1 587143367 DRZSHHXXJDOCQH-UHFFFAOYSA-N 406.413 5.060 0 1 HKAF CC(=O)c1cccc(OCCOc2cccc(-c3cc4c5c(cccc5n3)CC4)c2)c1 587211146 CQTVJOLXCQJHCS-UHFFFAOYSA-N 409.485 5.661 0 1 HKAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(Cl)cc(F)c2[nH]1 587230290 CONICRUNUIBLNG-UHFFFAOYSA-N 424.863 5.245 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(OCc3ccccc3)cc2[nH]1 587236035 WDWGUQGKPZFCNK-WOJBJXKFSA-N 421.541 5.693 0 1 HKAF C[C@]1(c2cc3cc(F)ccc3o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331460 HDTIUSPEIPIREK-ISKFKSNPSA-N 406.384 5.691 0 1 HKAF C[C@@]1(c2cccc(F)c2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336043 SOPAFMGWUVAAEP-KNQAVFIVSA-N 400.808 5.598 0 1 HKAF O=C1c2ccc(O)cc2OC2(CCCCCCCCCCC2)[C@@H]1c1ccc(F)cc1 587351384 JPQPYJAWLQMEHX-XMMPIXPASA-N 410.529 6.934 0 1 HKAF CCOC(=O)[C@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)[C@@H](C)C1 587362599 KKURYFWPWRCASU-DOTOQJQBSA-N 415.489 5.886 0 1 HKAF COc1cccc(-c2cc(-c3cnc4ccnn4c3C)nc3c2oc2ccccc23)c1 587363225 PJFIBWIWXPSZEA-UHFFFAOYSA-N 406.445 5.675 0 1 HKAF COc1cccc(-c2cc(-c3ccc(C(=O)O)s3)nc3c2oc2ccccc23)c1 587367056 XVKQOEQCQBQXQG-UHFFFAOYSA-N 401.443 6.083 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1ccc(Cl)c(C(=O)O)c1)[C@@H](C2)C3=O 587422583 QSZSZPOJAWOJIE-MBSDFSHPSA-N 420.848 5.203 0 1 HKAF COc1cc2c3c(c1)O[C@@](CC14CC5CC(CC(C5)C1)C4)(c1ccccc1)[C@@H](C2)C3=O 587445431 JWHLFMFQEVNTCX-LLHNNZTASA-N 414.545 5.945 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](CCc1cc(F)ccc1Br)CC2=O 587469130 WPGQSTUYRFUSSR-CQSZACIVSA-N 407.279 5.213 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1OCc1ccccc1)CC2=O 587479178 LNVJIVISULGURT-AREMUKBSSA-N 402.490 5.804 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1sc3ccccc3c1Br)CC2=O 587495420 OECBMYRSUHHFMJ-INIZCTEOSA-N 417.324 6.028 0 1 HKAF CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H]2CCC[C@H](C1)N2Cc1cccs1 587495811 UPOPCWSSLSQVQW-LDSCYUJKSA-N 411.567 5.327 0 1 HKAF CC(C)Oc1cc(Br)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587496217 HOOTYVMZIVOYER-OAQYLSRUSA-N 415.327 5.822 0 1 HKAF O=C1C[C@H](c2cccc(Oc3ccc(Cl)cc3)c2)Oc2c1ccc1c2CCCC1 587505165 YTWAXEBWVMXNLT-XMMPIXPASA-N 404.893 6.718 0 1 HKAF O=C1C[C@@H](c2c(-c3ccc(F)cc3)nc3ccccn23)Oc2c1ccc1c2CCCC1 587505650 JHTKPFLNZGZBLY-QFIPXVFZSA-N 412.464 5.726 0 1 HKAF O=C1C[C@](c2ccncc2)(c2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587507333 LRQVHSRVOHDLOB-DEOSSOPVSA-N 423.434 5.888 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587518216 CNKOHXWXXKDABS-OHUGHZGNSA-N 411.542 5.079 0 1 HKAF COc1cc(-c2ccc(C=O)cc2)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587524337 MCEZTSFNTCXNLK-SANMLTNESA-N 412.485 5.760 0 1 HKAF COc1ccc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587548567 ODSOIZJCWMMGAH-RXVVDRJESA-N 416.351 5.123 0 1 HKAF C[C@@]1(c2cccc(OC(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552508 AGVGLTKNIRSAIJ-RXVVDRJESA-N 416.351 5.168 0 1 HKAF CCc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587576867 LAVGDZOJZBWMPC-OZXSUGGESA-N 411.457 5.448 0 1 HKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C1CCCC1 587579992 WMDBUXSPPJHASA-RCZVLFRGSA-N 403.478 5.629 0 1 HKAF Cc1oc(-c2ccccc2)nc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588014 REWSFQUAGNWRNU-CPJSRVTESA-N 413.429 5.233 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2cccs2)n1 587616225 ZGTBBWWVCGMTND-NZQKXSOJSA-N 401.443 5.219 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(C(F)(F)F)cc3)c2c1 587641404 IPKAFLNYLUPLNG-LLVKDONJSA-N 413.361 6.950 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2ccc(Br)cc2)N1 587683622 VDYDPJXYNKRPJW-BTDLBPIBSA-N 413.128 5.169 0 1 HKAF CC[C@@]1(c2c(F)cc(F)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587721713 QFUJRPXHAODETO-NIVTXAMTSA-N 402.229 5.193 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Br)c2F)N1 587726520 JPBZPNZWPIGSGT-VPTHRUTESA-N 417.091 5.113 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccc(F)cc12 587727820 DOFYPYIWYVGGCI-YTEVENLXSA-N 412.277 5.534 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@H](C2)N3c2ccccc2)N1 587771453 SVBVNGCGAZEDEW-SIJHPFGISA-N 415.350 5.149 0 1 HKAF CC(C)=CCC/C(C)=C/C=C\[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587815549 NOKRVVAWDNOTSJ-OVWHSNRNSA-N 406.383 6.587 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCOc1ccccc1 587858330 FDNJDDQNFWNPQK-UHFFFAOYSA-N 405.281 5.365 0 1 HKAF Cc1ccccc1COc1c(C)cc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN32)cc1C 963100601 KFWYUSKXTBSUOE-XNMGPUDCSA-N 415.552 6.440 0 1 HKAF Cc1c(C)c2ccc(O[C@H](C)[C@]3(C)c4c(F)cccc4C[C@@H]4CCCN43)cc2oc1=O 963101093 LGNQNWQPYRUDET-QKSGUBBWSA-N 421.512 5.252 0 1 HKAF O=c1c2ccccc2oc2c(Cc3ccc(O)cc3)[nH]c(-c3ccncc3Cl)c12 1772619465 PCMMYGOFQQGDFJ-UHFFFAOYSA-N 402.837 5.286 0 1 HKAF Cc1ccc(N2CCc3cc(O)ccc3[C@]2(C)c2ccc(/C=C/C(=O)O)cc2)cc1F 1772623514 DPOZIINKXXKYMY-JHVZDVHPSA-N 417.480 5.264 0 1 HKAF c1ccc(COc2cc(OCc3ccccc3)c3c(-c4ccccc4)coc3c2)cc1 1772820553 JDNZULXLMHWPAY-UHFFFAOYSA-N 406.481 7.258 0 1 HKAF CCCCC[C@@H](O)c1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1 1857596064 REWFYBUVJAZDQT-XMMPIXPASA-N 404.941 6.935 0 1 HKAF O[C@@H](CNc1ccc(-c2ccccc2)cc1)COc1cccc2[nH]c3ccccc3c12 1857635494 KULGSXAPQGZJEO-QFIPXVFZSA-N 408.501 5.840 0 1 HKAF COc1cccc(CC(=O)Nc2ccccc2-c2cccc3c2[nH]c2ccccc23)c1 1857643029 QYMNJYUULKXPDO-UHFFFAOYSA-N 406.485 6.178 0 1 HKAF O[C@H](c1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn12)[C@@H]1CCCN1 1857653597 IEYYQDNXXXURNS-RDPSFJRHSA-N 403.913 5.107 0 1 HKAF CC(=CCN1[CH]N(C)c2ncnc(N)c21)CC[C@]1(C)C2=CCC[C@H](C)[C@@]2(C)CC[C@@H]1C 2356305491 JESXBXHCYMGUJV-WJQBNGMASA-N 422.641 5.960 0 1 HKAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@]3(C)CC[C@](C)(C=CC(=O)O)C[C@@]3(C)CC[C@]21C 2356392860 RFUWXMLQNIWPAD-ICVFAKLLSA-N 414.630 6.662 0 1 HKAF C[C@@H](CC[C@H](C)[C@H]1C[C@@H]1C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356462774 DSCWSZBNGFQSCJ-JECUGTONSA-N 414.718 7.715 0 1 HKAF CC(=CCCC[C@@H](C)C=C1OC(=O)C(C)=C1O)CCc1coc(Cc2ccoc2)c1 2356703410 AXEKDYZDPHMMNX-GOSISDBHSA-N 410.510 6.421 0 1 HKAF CC(C)CC(C)(C)C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356791557 IRUMHQHMEQWWER-AGECUREYSA-N 414.718 8.025 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CC[C@]1(C)C2=CCC[C@H](C)[C@@]2(C)CC[C@@H]1C 2356842689 MXGORNADMFGTNH-WJQBNGMASA-N 423.649 5.798 0 1 HKAF CS(=O)(=O)c1ccc(-c2nn(CCc3ccccc3)cc2-c2ccc(F)cc2)cc1 836392 YTLPYUWXEWWKRU-UHFFFAOYSA-N 420.509 5.002 0 1 HKAF CN(CCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1)Cc1ccccc1 1540867 UGGLIKVGGHFAIU-UHFFFAOYSA-N 400.501 5.273 0 1 HKAF CN(Cc1ccc(COC(=O)[C@@H](c2ccccc2)C2CCCCC2)o1)C1CCCCC1 13601993 HVOWODINLRMUOC-SANMLTNESA-N 423.597 6.451 0 1 HKAF O=C(O)CCCOc1cccc(/C=C/c2ccc3cc(Cl)c(Cl)cc3n2)c1 13727973 JSBGCWCLWVHKOO-SOFGYWHQSA-N 402.277 5.956 0 1 HKAF C[C@@H]1CC=C[C@H]2[C@@H](c3ccc(Br)cc3F)N(Cc3ccccc3)C(=O)[C@H]12 13830009 CIPDVFAPNIGCCR-CVDLLHPYSA-N 414.318 5.500 0 1 HKAF Cc1ccc(F)c([C@@H]2[C@@H]3C=CC[C@@H](c4ccccc4)[C@@H]3C(=O)N2Cc2ccccc2)c1 13830781 JKQUHEGFTUFCCP-HSWFVFMJSA-N 411.520 6.194 0 1 HKAF Cc1cc2[nH]c(C(=O)NCC3CCCCC3)c(CCc3ccccc3)c2cc1C(=O)O 29128353 DULIZTLKOVADRZ-UHFFFAOYSA-N 418.537 5.270 0 1 HKAF C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)c1ccccc1 36294867 UNIXCKUMWRLUBV-YADARESESA-N 421.968 6.029 0 1 HKAF Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@]1(O)[C@H](OC(=O)c1ccccc1)C2 40421861 IEHCQOHUOBIHHN-XSBVVTFOSA-N 418.533 5.722 0 1 HKAF biogenic,in-vitro O=C(O)c1cccc(-n2ccnc2-c2cc(Cl)ccc2OCc2ccccc2)c1 40564792 LDUHSQSKATZTOV-UHFFFAOYSA-N 404.853 5.470 0 1 HKAF Cc1c(CNCCCNc2nc3ccccc3[nH]2)[nH]c2cc(Cl)cc(Cl)c12 45302477 MTLXVFPJFDKVOT-UHFFFAOYSA-N 402.329 5.251 0 1 HKAF c1cncc(CCNCc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)cc2)c1 45323431 HDOJVNGTQNMWJE-UHFFFAOYSA-N 410.546 5.686 0 1 HKAF Cc1cc(=O)oc2cc(OCCCCCOc3ccc4c(C)cc(=O)oc4c3)ccc12 66078057 DVBIXHXWFXVSFW-UHFFFAOYSA-N 420.461 5.144 0 1 HKAF CC(C)c1cccc2c1[C@H](CCC[C@@H]1c3c(cccc3C(C)C)CCN1C)N(C)CC2 73129719 PRFDDGBZIRABCH-MKPDMIMOSA-N 418.669 6.862 0 1 HKAF O=C(NCC1CCCCC1)c1cnc(NCc2ccccc2)nc1-c1ccccc1F 82151348 SROAWRURSXGYMP-UHFFFAOYSA-N 418.516 5.205 0 1 HKAF O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 113794183 UYFRJXOBXCZLSO-UHFFFAOYSA-N 409.913 5.758 0 1 HKAF C[C@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 123211531 XYNPYHXGMWJBLV-GTGHUROTSA-N 415.662 5.367 0 1 HKAF CCCN(CCC)c1cccc2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12 142745596 WMCIPGLJMYHCRT-UHFFFAOYSA-N 400.954 5.914 0 1 HKAF O[C@H](CN1CCCCC1)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12 169333897 FKUDEKLUYHHKJU-OAQYLSRUSA-N 401.337 5.728 0 1 HKAF CC(=O)O[C@H]1CC[C@@H]2[C@@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C/CC(C)C)C1 255271090 UCACJVAPKGZMLE-YZXXHFGTSA-N 414.674 7.425 0 1 HKAF CC[C@H](C)NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F 299887580 ZCUHJOCIFKATHC-GGTBVAQXSA-N 424.564 5.294 0 1 HKAF FC(F)(F)c1cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2cn1 587015909 XYQZBEXJIDYRDX-UHFFFAOYSA-N 415.227 6.074 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(Cl)cc3[nH]1)N2 587032976 WQUICCHKFUHXLQ-UQDQQJHMSA-N 404.948 5.343 0 1 HKAF CCCCOc1cc2nc([C@@H]3Cc4ccccc4S3)[nH]c2cc1Br 587043135 PAZBBOZLKSMYJW-SFHVURJKSA-N 403.345 5.894 0 1 HKAF Clc1ccc(-c2cc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)ccc2Cl)cc1 587048437 VSYRFNWSBIREDD-UHFFFAOYSA-N 408.115 7.511 0 1 HKAF Oc1nc2cc3[nH]c(-c4ccc(COc5cccc(Cl)c5Cl)o4)nc3cc2[nH]1 587056449 OPGGRAXRZXIMGH-UHFFFAOYSA-N 415.236 5.291 0 1 HKAF Clc1ccccc1OCc1ccc(-c2nc3c(Br)cccc3[nH]2)o1 587064452 KKMPJSXIXYEBDV-UHFFFAOYSA-N 403.663 5.818 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(F)cnc2[nH]1 587086020 BUCFAJCEXXHKAU-VOTSOKGWSA-N 402.260 5.127 0 1 HKAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587114283 RVCUXPIJBVQPIH-NSHDSACASA-N 423.744 5.376 0 1 HKAF Cc1c(Br)ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 587116088 NBSTWHGRKJGLBP-UHFFFAOYSA-N 407.193 5.263 0 1 HKAF Fc1cc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc(N2CCCC2)n1 587177630 RDKTWUDVIHUQKQ-UHFFFAOYSA-N 415.497 5.641 0 1 HKAF C[C@@]1(c2cc(-c3ccccc3)no2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348186 QQQDBVWTVFBCFP-ZCYQVOJMSA-N 415.420 5.461 0 1 HKAF CCOC(=O)C[C@@]1(CCC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352265 WBRUPASGSDAPSH-LADGPHEKSA-N 414.473 5.018 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c([nH]c(C(=O)O)c2C)CC3)c1 587363657 SBEKZBXPTFGYOM-UHFFFAOYSA-N 424.456 5.757 0 1 HKAF COc1ccc([C@@]2(c3ccccc3Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587377857 KRMKSVBDAGROPC-XMMPIXPASA-N 423.896 5.157 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1OCC(C)C)O2 587379177 ZWNAJIAJPNRCIF-IBGZPJMESA-N 404.304 5.081 0 1 HKAF COc1cc2c3c(c1)O[C@](C)([C@H](C)Oc1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O 587441326 SHUMQTBZERHXNG-AWCXEYNZSA-N 400.474 5.336 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccccc3C(=O)OC)o1)CC2=O 587476597 CWSVVFLDEZNJMW-QFIPXVFZSA-N 406.434 5.098 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc3cc(O)ccc3c1)CC2=O 587487063 YLRKXIGYTBFSTK-NDEPHWFRSA-N 424.496 6.113 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(C)cc3)nc3sccn13)CC2=O 587496871 AKGKDRQVEKMRRK-FQEVSTJZSA-N 418.518 5.736 0 1 HKAF CCOC(=O)[C@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587507563 RGAPAETZHJTDEP-JOCHJYFZSA-N 419.304 5.296 0 1 HKAF CN(C)/C=C/[C@@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510999 ZKPQDNLMFRZRQJ-ZVQQDINOSA-N 415.455 5.520 0 1 HKAF CC(C)(C)OC(=O)Nc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511028 IKKXUHMESOANPH-RUZDIDTESA-N 407.510 5.793 0 1 HKAF CC[C@@H](C)c1ccc(NC(=O)C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587514922 XQSFHBUTYJDHFF-WGDIFIGCSA-N 405.538 5.832 0 1 HKAF O=C1C[C@H](c2c[nH]c3cc(OCc4ccccc4)ccc23)Oc2c1ccc1c2CCCC1 587525460 NIOSUTFWBWHYHB-HHHXNRCGSA-N 423.512 6.332 0 1 HKAF COc1ccc(-c2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1 587531431 KDJQLUURAMUKAM-RUZDIDTESA-N 404.531 6.183 0 1 HKAF Cc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538190 CWDSKEXOIQRQFI-WIYYLYMNSA-N 411.251 5.166 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCOc1ccc(Cl)cc12 587553164 UDFSHJHMIVIZIF-NZQKXSOJSA-N 408.837 5.075 0 1 HKAF Cc1ccc(N)c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587580144 QYHLPMHPKUMCHH-IGKIAQTJSA-N 423.468 5.188 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Oc2ccccn2)c1 587584690 ADXQQPKFDLWWSQ-RDGATRHJSA-N 411.413 5.282 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccs3)c(C(=O)C(F)(F)C(F)(F)F)c2c1 587643190 ZMUZEPANOAFKRV-SNVBAGLBSA-N 401.400 6.790 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)c(N)c(Cl)c2)N1 587694145 OJHGDVORBNFCBZ-CQLKUDPESA-N 418.137 5.275 0 1 HKAF CCOc1ccc(Cl)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587696008 KLFQKAITIFONDY-JEOXALJRSA-N 412.730 5.438 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2C[C@@H]2c2ccccc2Cl)N1 587700721 WFMAYXFOAKESEG-HBYYQFAISA-N 408.742 5.795 0 1 HKAF CC(C)CC[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587704034 RKVVEICJGBORRB-LHSJRXKWSA-N 424.785 6.456 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccco1 587749789 GBADNRYBZFJEIA-XUSGNXJCSA-N 417.322 5.271 0 1 HKAF CC(C)c1ccc(C[C@H](C)[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587818284 HMGLZRCXFGVEAI-KIMHZCHSSA-N 404.367 6.166 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccccc3)o2)N1 587831711 YATRLSPRGVQEFR-ODXCJYRJSA-N 402.263 5.597 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3cccs3)s2)N1 587854091 POWLGFYYJXEBSR-XXFAHNHDSA-N 409.349 5.397 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CC12CC3CC(CC(C3)C1)C2 587868292 YTCYPMLSRZWYGJ-UHFFFAOYSA-N 419.447 5.219 0 1 HKAF Cc1cccc(C)c1OCc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873991 RJWFGVFEWYAZFG-UHFFFAOYSA-N 414.436 5.679 0 1 HKAF Cc1c(Br)cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1C 587949376 UJUMIQVRLCUUSB-UHFFFAOYSA-N 407.311 6.325 0 1 HKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 587952729 WGBMXHMNVODWSJ-HFXUHXBXSA-N 422.525 6.188 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccnc(O)c2[nH]1 587961182 RXELFLQOJOEKKH-WWMAXSSBSA-N 419.613 7.518 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1COc1ccc2c(c1)OC[C@@H]2CC(=O)O 653740434 IGDIQNUQFVGOBM-AWEZNQCLSA-N 415.898 5.302 0 1 HKAF COc1c(Cc2ccccc2)cc(-c2ccccc2)cc1C(=O)N[C@H]1CC[C@H](C)CC1 653842835 IKZMPAFFXXAWEZ-WBANQOEISA-N 413.561 6.262 0 1 HKAF COc1ccc([C@@]2(CCc3cccc(Cl)c3)NCCc3ccc(F)c(C)c32)cc1 962094643 UBCCGXAYGMZBEP-RUZDIDTESA-N 409.932 5.818 0 1 HKAF Cc1ccc(CC[C@@]2(c3ccccc3C)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1C 962896237 AXNZCBOPTLXTBH-IGKIAQTJSA-N 417.524 5.226 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c[nH]c3cccc(OCc4ccccc4)c23)N1 962942850 CCDIWGSMUJATLK-HMILPKGGSA-N 421.544 6.242 0 1 HKAF CCCCCCc1ccc([C@@]2(CCC(=O)O)c3ccccc3C[C@H](C)N2CCC)cc1 963222713 CFUCQPYYTQMVPU-DWACAAAGSA-N 421.625 6.574 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1([C@@H](Cc1ccccc1)n1cncn1)C(C)(C)C 963241915 OUNNSUZCSJGTNN-FZBZCGEPSA-N 416.613 5.660 0 1 HKAF CCCc1cccc([C@H]2c3ccc(C)cc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)c1 963915366 MMFIPOCXUWGHEO-QPPBQGQZSA-N 423.553 5.673 0 1 HKAF COc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1OC(=O)c1ccccc1C 1857584645 JLCPSLPCLQIRTN-UHFFFAOYSA-N 415.445 5.097 0 1 HKAF Cc1ccccc1C(=O)N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2ccccc12 1857618151 LPHDEQMBAJXIHH-UHFFFAOYSA-N 409.411 5.086 0 1 HKAF COc1ccc(Nc2nccc(-c3cn(C4CCCC4)c4ccccc34)n2)c(OC)c1 1857746996 QZRRSQKOXYIYMF-UHFFFAOYSA-N 414.509 5.974 0 1 HKAF CCCC=CC[C@@H]1CC=CC=C(C)C=CC=C[C@@H](O)CC=C(C)C=CC=CC(=O)N1 2356390220 UMYFIUGQWGBKLX-CLJLJLNGSA-N 407.598 6.046 0 1 HKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CC(=O)NCC[S@](C)=O 2356554473 XQVRPWAJMCYTNW-LFYAFONDSA-N 401.701 5.946 0 1 HKAF O=C(NC1CCCC1)[C@@H](c1ccccc1)n1c(-c2cccs2)nc2ccccc21 95571253 ACOLWRWSVMVYAU-JOCHJYFZSA-N 401.535 5.413 0 3 HKAF COc1ccccc1CNC(=O)c1c(C(C)(C)C)noc1-c1cccc2ccccc12 775991 LKEIBZQKPZGSEF-UHFFFAOYSA-N 414.505 5.731 0 1 HKAF COc1ccc(-c2noc(-c3cccc4ccccc34)c2C(=O)N[C@@H](C)C(C)C)cc1 2480826 NQZAKAHGFDWQFD-KRWDZBQOSA-N 414.505 5.945 0 1 HKAF CCCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1c(F)cccc1Cl 2484891 CMUXYCHGNFXHLB-UHFFFAOYSA-N 407.272 5.984 0 1 HKAF CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCc1ccccc1N 4080441 WGDNSYGQIVSJJZ-RPBOFIJWSA-N 421.585 5.723 0 1 HKAF CC(C)N(CC[C@]1(c2ccc(-c3ccccc3)cc2)C[C@H]2CCCCN2C1=O)C(C)C 26265429 WYIANLZLPPZWJB-IXCJQBJRSA-N 418.625 5.885 0 1 HKAF CN(C(=O)C1[C@@H](c2ccccc2)[C@@H]1c1ccccc1)[C@H]1CCCC[C@@H]1N1CCCC1 26747807 WBABSZHKMKONHN-QORCZRPOSA-N 402.582 5.049 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@@H]3CC[C@]12C 27519822 YSWDCQJTPYALJE-ROWYOKMFSA-N 404.635 6.742 0 1 HKAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H](SCCC)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC 27989968 RYZUEKJBYZVQPP-RWWCJPMWSA-N 424.647 5.490 0 1 HKAF COc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=N)NC(C)C)cc3)sc2c1 28471540 QYVSVVMIGBVJHU-UHFFFAOYSA-N 401.919 5.139 0 1 HKAF CCCC[C@@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)O)cc3OC)c2c1 29473174 ORTIMSQPYMEJKE-QGZVFWFLSA-N 422.525 5.551 0 1 HKAF CCC(=O)[C@H]([C@@H](C)/C=C/CCSc1ccccc1)[C@@H](O)CCCCCC(=O)OC 31872526 NLKNRIQOWCDPRF-VTEWAQTOSA-N 420.615 5.441 0 1 HKAF CCOC(=O)[C@]12C[C@@]1(c1ccc(-c3ccccc3)cc1)c1cc(Cl)ccc1NC2=O 34821503 ICNIQJRZECJZDR-JWQCQUIFSA-N 417.892 5.198 0 1 HKAF CCN(CC)c1ccc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1 36351922 UQMWZLFAACNVCC-UHFFFAOYSA-N 415.459 5.671 0 1 HKAF CC[C@@H](COc1cccc(C(F)(F)F)c1)OC(=O)NCc1cccc(Cl)c1 38289572 AADLHSYKYWGWSL-INIZCTEOSA-N 401.812 5.443 0 1 HKAF O=C(Nc1nccs1)[C@@H](CC1CCCC1)c1ccc(SC(F)(F)F)cc1 38853467 PTGLJEXOWPNUTH-HNNXBMFYSA-N 400.491 6.058 0 1 HKAF Cc1ncsc1C(=O)N(Cc1cncc2c(F)cccc12)c1cccc(Cl)c1 40950111 XXIXGQOROJMOBY-UHFFFAOYSA-N 411.889 5.639 0 1 HKAF CN(c1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 43074519 GWLKWIJXTVRQMT-UHFFFAOYSA-N 414.528 5.329 0 1 HKAF Cc1nc2nc(-c3ccc(Cl)cc3)cn2c(-c2ccc(Cl)cc2Cl)c1CN 58538206 DDEPLNNIMHQSQJ-UHFFFAOYSA-N 417.727 5.791 0 1 HKAF C[C@H]1CCCC(=O)N[C@H](c2ccccc2)[C@H](C)CCCC(=O)N[C@@H]1c1ccccc1 66148515 VXISWQYLXNBKND-RXJAJXMTSA-N 406.570 5.328 0 1 HKAF c1ccc(COc2cccc(-c3nnc4ccc(-c5c[nH]c6ccccc56)nn34)c2)cc1 82060567 DZWLLJMDAJMSGE-UHFFFAOYSA-N 417.472 5.519 0 1 HKAF Cc1cccc(-c2nc(NCC3CCCCC3)ncc2C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 82146246 LJPVHCIJPYPZPV-WOJBJXKFSA-N 420.601 5.562 0 1 HKAF CCN(C)C(=O)c1cnc(NCc2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 82159389 KILLYNAOYTZUPJ-UHFFFAOYSA-N 422.532 5.515 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccsc2)nc2c(NCCCc3ccccc3)ncnc21 82179907 JFARMYDKLCXPHJ-QGZVFWFLSA-N 405.571 5.646 0 1 HKAF CCCCCn1c(-c2ccc(Cl)cc2)nc2c(NCc3ccc(F)cc3)ncnc21 82185510 FHRHNMNDTDVIAQ-UHFFFAOYSA-N 423.923 6.088 0 1 HKAF Cc1cccc2nccc(NCCCNCCCNc3ccnc4cccc(C)c34)c12 84727364 OEWJAQWCNQOTDE-UHFFFAOYSA-N 413.569 5.294 0 1 HKAF Brc1cccc(Sc2ncccc2OCCCc2ccccn2)c1 96910917 NAUNHTIYTTVTKL-UHFFFAOYSA-N 401.329 5.402 0 1 HKAF Cc1cc(NCc2cnc(C)n2Cc2ccc(-c3ccccc3)cc2N)ccc1F 96940274 HDISVUGGZHAGKK-UHFFFAOYSA-N 400.501 5.549 0 1 HKAF COC(=O)[C@]1(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C=C1C 103277894 LMLPVBKWBZSJGI-JOCHJYFZSA-N 418.320 5.086 0 1 HKAF Cc1cccc(-c2nc3n(n2)[C@H](c2ccccc2Cl)C2=C(O)CC(C)(C)CC2=N3)c1 103541901 YROJZDKQENRZDH-OAQYLSRUSA-N 418.928 6.215 0 1 HKAF COc1ccccc1-n1nc(OC2CCC(F)(F)CC2)cc1-c1ccc(Cl)cc1 145198943 QWTOYMMBYIZUDZ-UHFFFAOYSA-N 418.871 6.158 0 1 HKAF O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2ccccc2Cl)cc1 216052730 CGELMXCEOZOWEK-UHFFFAOYSA-N 423.343 6.038 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 255208677 DZUAZCZFSVNHEF-NZTKQWRVSA-N 410.686 8.009 0 1 HKAF c1ccc(-c2nc3ccccc3nc2-c2ccc(OCCN3CCCCC3)cc2)cc1 299856482 IZHJBMDCXJQPII-UHFFFAOYSA-N 409.533 5.829 0 1 HKAF Clc1cc(Cl)c(Br)c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 586975318 MUXCJFLXIJGTHV-UHFFFAOYSA-N 411.901 6.001 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(C(F)(F)F)cccc2[nH]1 586981668 SNRXRIGVYDCXGY-UHFFFAOYSA-N 420.232 6.110 0 1 HKAF Cc1c(-c2ccc(C(F)(F)F)c(F)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586993906 RHVCZEYOYMRDLO-UHFFFAOYSA-N 421.393 6.888 0 1 HKAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587011610 LRIINVMGVXABFN-UHFFFAOYSA-N 407.848 6.258 0 1 HKAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cccc(C(C)(C)C)c3[nH]2)cc1 587040662 QCMAABMENBGCDC-IBGZPJMESA-N 409.555 5.147 0 1 HKAF Brc1cccc2nc(COc3ccccc3C3SCCS3)[nH]c12 587042010 RJXBKZZAELZDOT-UHFFFAOYSA-N 407.358 5.383 0 1 HKAF COC(=O)c1ccc2nc(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2c1 587046283 DXTPQFAENMMNSN-YVMONPNESA-N 414.889 5.217 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(NC4=NCCCS4)cc3)nc3cccc1c23 587208772 ZKVYBDVQLXTYOZ-UHFFFAOYSA-N 421.525 6.018 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)C3(CCCCC3)C1)O2 587400008 NEUCFZDZRBNMAJ-XMMPIXPASA-N 414.546 5.015 0 1 HKAF COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccccc1 587401822 YPGDRSJZXHVIGH-VWLOTQADSA-N 403.478 5.045 0 1 HKAF CCCC[C@@H](CC)COc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441110 JCAULZWGPJMRFL-VJBLKOIQSA-N 408.538 5.953 0 1 HKAF COc1cc2c3c(c1)O[C@]1(CC[C@@H]1c1ccccc1OCc1ccccc1)[C@@H](C2)C3=O 587444381 SSCJYWLIOWSSLO-VHSZZVNMSA-N 412.485 5.338 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1C(C)(C)C)CC2=O 587478960 XEVROVUMCDHOSA-QFIPXVFZSA-N 404.510 5.534 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](c2ccccc2)Oc2ccc(O)cc21 587491830 QADLRIBAADJJAV-AOYPEHQESA-N 416.473 5.435 0 1 HKAF Cc1nn(C)c(Oc2ccc(Cl)cc2)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587502661 SHGAJSVMPFCKMA-OAQYLSRUSA-N 422.912 5.760 0 1 HKAF O=C1C[C@]2(CCCc3nc(-c4ccc(F)cc4)sc32)Oc2c1ccc1c2CCCC1 587508207 OHSFPYKYSQCYCV-VWLOTQADSA-N 419.521 6.025 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(Cl)c1Cl 587544643 NDZDZNCVSNRAOE-FOIQADDNSA-N 403.217 5.108 0 1 HKAF CCc1ccc(-c2cnc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 587585915 ILKLYSVZGTWQTA-QPPBQGQZSA-N 413.429 5.313 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCNc1cc3ccccc3cc12 587591567 CUKXEULRFSCPCR-OZXSUGGESA-N 409.441 5.218 0 1 HKAF CCCCCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587594399 HGWRKYASPYOLPV-WIOPSUGQSA-N 404.462 5.664 0 1 HKAF COC(=O)C(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]c2cc(Cl)c(F)cc12 587629078 ZORXFUMXHRWMDH-UHFFFAOYSA-N 400.620 5.290 0 1 HKAF O=C(c1cccc(Cl)c1)c1c(-c2cccc(Cl)c2)[nH]c2c(C(=O)O)cccc12 587637945 HDXQNZJNLGFCLO-UHFFFAOYSA-N 410.256 6.071 0 1 HKAF Cc1cc(Br)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587683828 XLPWAWNQVPTMSS-DYZYQPBXSA-N 413.128 5.283 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OC(F)(F)F)c2)N1 587721389 PTFUEOVBVKRKMV-BMLIUANNSA-N 418.228 5.285 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(F)cc3)s2)N1 587737070 WBTDWXXWDIRUMM-PRWKNARSSA-N 420.322 6.079 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2c2ccccc2n3C)N1 587755276 HKMOYDYDDSPGRA-XMHCIUCPSA-N 413.334 5.194 0 1 HKAF CCCOc1c(OC)cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587788837 AFVDGYHDFUAVEA-BUXKBTBVSA-N 408.311 5.009 0 1 HKAF COc1ccc2c(c1)[C@H](C)[C@@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587810067 SIRHWGHFOLSBEW-RRMDADRESA-N 404.323 5.076 0 1 HKAF Cc1cccc(-c2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 587819752 NFTCQKOAIHVOGX-NPMXOYFQSA-N 410.330 6.187 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccccc3)o2)N1 587828131 MLYIHWQOOLWCDH-FKIZINRSSA-N 402.263 5.597 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3O)cc2)N1 587833542 OJFQJNAULRTYOJ-MCMMXHMISA-N 412.302 5.584 0 1 HKAF Cc1csc2sc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)c12 587854543 CQEQLBKUQGIVOC-FVMDXXJSSA-N 410.377 6.105 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccsc3)nc2)N1 587854613 REQDEPMSYYMUTN-JEOXALJRSA-N 403.320 5.335 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncc(C)cc1Br 587860766 BULPSYYAVBKBJQ-UHFFFAOYSA-N 412.209 5.033 0 1 HKAF CC[C@@]1(Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)CC(=O)c2ccccc2C1 587961196 QKWBNOHMOKJBMN-MHZLTWQESA-N 410.517 5.910 0 1 HKAF Fc1cccc(C[C@]2(c3cccc(F)c3)NCCc3cc(-c4ccccc4)ccc32)c1 962669929 SZLSROUNZNMOGF-MUUNZHRXSA-N 411.495 6.264 0 1 HKAF Clc1ccccc1C1([C@H]2c3ccsc3CCN2Cc2ccco2)CCOCC1 962713192 UIOBTQJNTYWTRI-JOCHJYFZSA-N 413.970 5.842 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2ccc(OCc3ccccc3)c(F)c2)N1 962956742 YVHTVJFEJXKKMS-CCLHPLFOSA-N 414.524 6.074 0 1 HKAF Cc1sc2c(c1C)CCN[C@@H]2c1cn(-c2ccc(F)cc2)nc1-c1ccccc1 963015336 AUCVBCPNJVCCMP-HSZRJFAPSA-N 403.526 5.592 0 1 HKAF Fc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3c4cc5c(cc4CCN32)OCO5)cc1 1772651973 WAEVDQMBMRSJAV-BKMJKUGQSA-N 412.464 5.281 0 1 HKAF O=C(/C=C/c1ccccc1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1 1857540037 VMOMIOVWFCHYAV-RMKNXTFCSA-N 424.888 5.879 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)C(=O)N(C)C)C1 1857634708 HKLKLVZHSLPJAA-VPUDDTBISA-N 415.618 5.221 0 1 HKAF O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2nc(-c3ccc(O)cc3)ccc12 1857745760 MDVQTRIRPZQVDF-UHFFFAOYSA-N 412.533 6.152 0 1 HKAF CO[C@@H]1c2occc2[C@H](O)C[C@@H]2[C@]1(C)C[C@@H]1[C@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]21C 2356615813 MRMQROGLXJNWRO-IOFAQZATSA-N 400.603 6.679 0 1 HKAF Cc1ccc(-c2cccc([C@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c2)cc1 13813356 DVJJAPJWXFRLRG-XGIDPOPLSA-N 407.557 6.574 0 3 HKAF aggregator Fc1ccc(-[n+]2nc(Nc3ccccc3)sc2-c2cccc(Cl)c2Cl)cc1 15936839 BQTRPPZJLOSEEE-UHFFFAOYSA-N 417.316 6.276 0 3 HKAF C[C@H]1C(=O)c2c([nH]c3ccc(Cl)cc3c2=O)C[C@@H]1c1ccc(Cl)cc1Cl 27084063 MGDOHBDZYQVUPU-RNCFNFMXSA-N 406.696 5.647 0 1 HKAF CS(=O)(=O)c1ccc(-c2nc3sc4ccccc4n3c2-c2ccccc2)cc1 27563402 FWOVSBHAKXFWMG-UHFFFAOYSA-N 404.516 5.287 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2cc(O)c(F)cc2O1 27624375 KZRRQQNVZTVAGK-YMDGTMPZSA-N 400.578 7.814 0 1 HKAF CSc1cccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)c1O 29216326 HBGKFTYCWISVDN-UHFFFAOYSA-N 420.317 6.466 0 1 HKAF CCOC(=O)Sc1ccc2c(c1)[C@]1(C)CCN(CCc3ccccc3)[C@H](C2)[C@@H]1C 29398349 FMCDGYVXQQXTOP-XYURVEJXSA-N 409.595 5.702 0 1 HKAF CC(C)(C)c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1 35933353 CBLLHAMJWDFKBI-UHFFFAOYSA-N 417.553 7.113 0 1 HKAF COc1ccc(CNCCCCCNCc2ccc(Cl)c(Cl)c2)cc1Cl 45226506 UQXVXRREQRYCOW-UHFFFAOYSA-N 415.792 5.705 0 1 HKAF Cc1[nH]c(C)c(-c2ccc(-c3cccc(C(F)(F)F)c3)nc2)c(=O)c1Br 45302734 PJTLURISAIGCBN-UHFFFAOYSA-N 423.232 5.502 0 1 HKAF CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)N[C@H](C)c1ccccc1 58582942 SIPLDWKCFLEICO-ONZRMHGCSA-N 401.635 6.872 0 1 HKAF CSc1nc(NCc2ccccc2Cl)c2cnn(C[C@H](C)c3ccccc3)c2n1 72123193 LZNGDDGHDNTMEN-HNNXBMFYSA-N 423.973 5.617 0 1 HKAF CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccccc2OC)cs1 82193603 CRAAPPJQANRBRG-PXNSSMCTSA-N 415.603 5.120 0 1 HKAF Cc1ccc([C@H]2CC(c3ccc(Cl)c(Cl)c3)=NN2C2=NC(=O)CS2)cc1 95573702 TZFWDZAJJMUALL-QGZVFWFLSA-N 404.322 5.082 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CCC4=C[C@](C)(O)CC[C@@]43C)[C@@H]1CC=C2n1cnc2ccccc21 96928438 BQNFIOYJQIGYGE-KAZXAOQTSA-N 402.582 6.201 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 97974914 OYXZMSRRJOYLLO-CFYWPNBCSA-N 402.663 6.360 0 1 HKAF FC(F)(F)c1c(-c2ccc(NC3CC3)c(Cl)c2)ccn2c(CC3CC3)nnc12 114494721 AONHSWKVTDQGAU-UHFFFAOYSA-N 406.839 5.595 0 1 HKAF COc1ccccc1[C@@H]1CN2CCC[C@H]2c2cc(OCCCN3CCCCC3)ccc21 140524486 KGXVLSBKFYJYCG-FTJBHMTQSA-N 420.597 5.232 0 1 HKAF C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 141877471 VCYNHQOAZQMPOJ-TZNORDHQSA-N 413.646 5.575 0 1 HKAF CCCCCCCCS(=O)(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1C(=O)O 143729247 BVFBKNJTLSEKER-UHFFFAOYSA-N 423.962 5.807 0 1 HKAF COC(=O)c1ccc(O)c(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1 146235684 UEDRNSGNDIOZJT-CTXABYMZSA-N 424.625 7.867 0 1 HKAF CCOC(=O)/C(=C/c1ccc(Br)cc1)CSc1nc2ccccc2o1 169308074 IRZWDJXPNGUHHJ-SDNWHVSQSA-N 418.312 5.329 0 1 HKAF CC1(C)[C@H](O)CC[C@@]2(C)Oc3c(O)cc(/C=C/c4cc(O)c5cc[nH]c5c4)cc3C[C@H]12 169311101 PMDMNKQSILGACC-DEDLWAPMSA-N 419.521 5.240 0 1 HKAF C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@@H]2CCN(CCc3ccccc3)C[C@H]21 169373625 MEFBNOXISJBUAP-MMOPVJDHSA-N 412.499 6.027 0 1 HKAF CC(C)=CCC/C(C)=C\CC/C(C)=C\CC[C@]1(C)CCc2c(cc(C)c(O)c2C)O1 201705007 KNOLXXFWGWYXEX-YMCDKREISA-N 410.642 8.292 0 1 HKAF CSc1ccccc1Nc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1 203004787 RSBNBTRRTSQRCF-UHFFFAOYSA-N 417.336 5.049 0 1 HKAF Clc1cnc2[nH]c([C@@H]3CCCNC3)cc2c1-c1cccc(NCc2ccccc2)n1 220184583 XGHGQKIHOZHNQX-QGZVFWFLSA-N 417.944 5.357 0 1 HKAF CC[C@H](C)C[C@H](C)C[C@H](CO)C[C@@H](C)/C=C(C)/C=C(/C[C@@H](C)C(=O)OC)C(=O)OC 238741046 WZRMQIAMDZWMAG-YOZQJBESSA-N 424.622 5.328 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@@H](N)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 299848773 XBCGINQJTOMOTB-DFTCMXSESA-N 403.695 6.406 0 1 HKAF CCCCOc1cc2nc([C@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2cc1Br 586889279 MCZQQYWWYOTHNQ-JLTOFOAXSA-N 417.347 5.650 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC(NNc1ccccc1)=CC4)-c1ccccc1C2=O 586998229 ZBKMYPXLGXBGEJ-UHFFFAOYSA-N 403.485 5.354 0 1 HKAF O=C(Nc1nc(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)cs1)c1cccs1 587019367 LLPGVCKNVFKTSN-UHFFFAOYSA-N 409.323 5.231 0 1 HKAF CNc1cc(Cl)ccc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587067086 MZSKCGDABOPTKY-UHFFFAOYSA-N 420.616 5.586 0 1 HKAF Cc1cc(Cl)ccc1OCCCc1nc2ccc(SC(F)(F)F)cc2[nH]1 587067233 ZMZJNJKRTKQZAS-UHFFFAOYSA-N 400.853 6.148 0 1 HKAF FC(F)(F)Oc1cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2cc1Cl 587067888 AVLQHCWGJCJKIY-UHFFFAOYSA-N 413.186 5.825 0 1 HKAF FC(F)(F)c1cc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2cn1 587070464 JGCBMYXCZSBDOD-UHFFFAOYSA-N 403.791 5.876 0 1 HKAF CCCCOc1cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2cc1Br 587085192 ZRKOBVNEBNNSAI-UHFFFAOYSA-N 415.118 5.873 0 1 HKAF Cc1ccc2c3c(cc(-c4cccc(OCCCC(=O)O)c4)nc13)-c1ccccc1C2=O 587098275 WSCWCYMPJIPSJP-UHFFFAOYSA-N 423.468 5.665 0 1 HKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cccc(OCc3ccccc3)c2[nH]1 587114668 WZJPMWPUJJKBGJ-MRXNPFEDSA-N 410.439 6.507 0 1 HKAF CSc1ccc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c2c1 587121463 FIADNDYZBGNDOC-UHFFFAOYSA-N 421.469 6.282 0 1 HKAF FC(F)(F)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)c(I)c1 587179134 QRASRFRXUNPGEX-UHFFFAOYSA-N 422.575 5.507 0 1 HKAF Cc1nc2[nH]c(-c3cc4ccccc4cc3NC(=O)C(C)C)nc2cc1Br 587246630 DPVCJPHBPFRMJS-UHFFFAOYSA-N 423.314 5.444 0 1 HKAF CC(C)Oc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345015 DLHJKELOINRQCL-NOZRDPDXSA-N 406.453 5.593 0 1 HKAF CC(C)c1cccc2c1OCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587361030 XFBGANFYYXIGMZ-BVAGGSTKSA-N 418.464 5.692 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)/C(=C\c2ccccc2)CCC3)c1 587367447 QPSVFICUSJOFJG-FXBPSFAMSA-N 417.508 7.534 0 1 HKAF COc1cc2c3c(c1)O[C@](c1cccc(SC)c1)(c1cc(F)ccc1F)[C@@H](C2)C3=O 587424822 VSSIJGVEHXICDP-YADARESESA-N 424.468 5.387 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccc(OCc4ccc(F)cc4Cl)c1)[C@@H](C2)C3=O 587426513 DAXKZYAKTZMUBB-YADARESESA-N 424.855 5.555 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C=C(SC)SC)(c1ccccc1C)CC2=O 587489899 FLWXAGXGLTWWAG-QHCPKHFHSA-N 414.592 6.081 0 1 HKAF CCCOc1ccc(CC)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597724 RRBWXQIKQPEQTM-RDGATRHJSA-N 404.462 5.446 0 1 HKAF CC[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603211 NSXSPPRBWZZRKN-LSYYVWMOSA-N 422.480 6.326 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccccc2)o1 587615837 HRGRIGSUXPEWGG-QPPBQGQZSA-N 400.386 5.480 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2ccccc2Cl)N1 587701979 YMKKBCDZTXIDRY-WLRWDXFRSA-N 410.714 5.264 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCC(F)(F)F)c2)N1 587712658 QATIDZDLYNGMES-DYZYQPBXSA-N 418.228 5.153 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2F)N1 587718232 MVSWIKNMGBQEHO-VPTHRUTESA-N 417.091 5.113 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(N3CCCCC3)c2)N1 587766312 NAZJRMPQSBOALP-QKKBWIMNSA-N 403.339 5.202 0 1 HKAF CCOc1cc(OCC)cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587801148 JADDBLLLDMHAQG-ZSEKCTLFSA-N 422.338 5.183 0 1 HKAF COc1ccccc1-c1ccc(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)cc1 587930129 DGOZOKZBVRXZFX-UHFFFAOYSA-N 406.489 5.737 0 1 HKAF Cc1cc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2cc1Cl 587949072 NQVKVIYJEGMJQT-LPXYKDPNSA-N 424.972 6.809 0 1 HKAF Cc1cc(Br)c2[nH]c(CCCCCCCCCCCCC(=O)O)nc2c1 587957175 ROPOFYNTPGULFZ-UHFFFAOYSA-N 423.395 6.552 0 1 HKAF O=C(O)CCCCCCCCCCCCc1nc2cccc(OC(F)(F)F)c2[nH]1 587957658 OKOMWUPSSLOUCP-UHFFFAOYSA-N 414.468 6.380 0 1 HKAF COc1ccc2nc(Oc3ccc(Cl)c(Cl)c3)nc(NCc3ccco3)c2c1 653766960 OCNISEIKFNUOSU-UHFFFAOYSA-N 416.264 5.943 0 1 HKAF COc1ccc(-c2ccc([C@H]3c4ccsc4CCN3Cc3cccn3C)cn2)cc1 962368669 BODBWFATOPIOQY-VWLOTQADSA-N 415.562 5.305 0 1 HKAF CCc1ccc([C@@]2(c3ccnc(C)c3)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1 962622279 BKUOSYIJKCCIJD-XHCCPWGMSA-N 416.565 5.138 0 1 HKAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2ccccc2-c2ccc(Cl)c(Cl)c2)N1 962911187 YVWOIQOGQIIWJV-PZJWPPBQSA-N 416.279 5.488 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)C(/C=C/c2ccccc2)(/C=C/c2ccccc2)N1 962946289 KWWFGVCONHTPCB-QHFFFFOVSA-N 404.557 6.714 0 1 HKAF FC(F)(F)c1cccc2c1[C@H](c1cc3cc(Cl)ccc3[nH]1)NCC21CCOCC1 962961041 SDFABJXWHLVIAA-FQEVSTJZSA-N 420.862 5.581 0 1 HKAF c1cncc(CN2CCc3sccc3[C@]2(CC2OCCO2)C2CCCCCC2)c1 963001346 ARIWCJVMFQBDJZ-DEOSSOPVSA-N 412.599 5.130 0 1 HKAF Cc1sc2c(c1C)CCN[C@]21C=C(Nc2ccccc2)C[C@H](c2ccccc2)C1 963016914 CVJJJIAGGLOROP-HFZDXXHNSA-N 400.591 6.280 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@@]3(/C=C\c1ccc(O)cc1)c1ccccc1 963027945 AVHYADMZPLIQSB-RQMRKHCNSA-N 408.501 5.052 0 1 HKAF Cc1ccnc2c1CCN[C@@H]2c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1 963076937 URFLFRMQNZALRV-OAQYLSRUSA-N 403.284 5.863 0 1 HKAF CCOC(=O)[C@H](C)N[P@](=O)(COC)Oc1c(C(C)C)cccc1[C@H](C)C1CC1 1772571950 KTSUFAARRJYRCI-FYCBBRDGSA-N 411.479 5.041 0 1 HKAF Cc1c(-c2ccc(Oc3ccc(N(C)C)cc3)c(F)c2)[nH]c2cccc(F)c2c1=O 1857578778 FAQGKYRVYZGIMW-UHFFFAOYSA-N 406.432 5.640 0 1 HKAF CC(C)(C)c1ccc(-c2ccc3c(C(=O)Nc4cccc(F)c4)cc(O)nc3c2)cc1 1857629473 XUQYGASCJRFEEZ-UHFFFAOYSA-N 414.480 6.296 0 1 HKAF CCC[P@](=O)(Oc1ccccc1)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 1911577302 WOHAKZQAGRWZAR-DJUQAAIZSA-N 423.449 6.379 0 1 HKAF CC(C)=C[C@H](CO)C(C)=CCCC(C)=CCC[C@@]1(C)CCc2cc(O)cc(C)c2O1 2356417935 QTEJGXGKZMMAET-SQHAQQRYSA-N 412.614 6.812 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc(O)c2c(O)c3c(cc12)C[C@](C)(O)CC3=O 2356522868 XDCYRXRRQCNEGZ-VWLOTQADSA-N 410.510 5.072 0 1 HKAF CC(C)=CC[C@H](O)C(C)=CCCC(C)=CCCC(C)=CCc1cc(O)cc(C)c1O 2356841150 NFFRHNZITCQLDW-SANMLTNESA-N 412.614 7.065 0 1 HKAF CC[C@H](C)Sc1cccc(-c2nc3cc(C)ccn3c2NCc2ccccc2)c1 36382312 AHKNADWKRMVWFM-IBGZPJMESA-N 401.579 6.812 0 3 HKAF COC(=O)c1cccc(C[C@]2(C)C(=O)Nc3cc(-c4ccccc4Cl)ccc32)c1 61908537 NPAOOIHXRALAON-DEOSSOPVSA-N 405.881 5.246 0 3 HKAF CC(C)c1ccc(NC(=O)Nc2nc([C@@H](N)c3ccccc3Cl)cs2)cc1 61927794 ZUSNGCMKPYMDEV-SFHVURJKSA-N 400.935 5.612 0 3 HKAF CSCC[C@@H](C(=O)Nc1c(C)cccc1C)N1CCC(Cc2ccccc2)CC1 72137821 BETLHJFAJFDSHE-QHCPKHFHSA-N 410.627 5.318 0 3 HKAF CC(C)CCNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(F)cc1Cl 2483238 OVBPLQRPAYTJCB-UHFFFAOYSA-N 404.844 5.716 0 1 HKAF CC(C)Oc1ccccc1C1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 13779673 VYXVWGFEAFGRIW-UHFFFAOYSA-N 420.597 5.480 0 1 HKAF COc1ccccc1C(=O)C[C@H](CC(=O)c1ccc(F)cc1)c1cccc(C(=O)O)c1 13907051 KFFBWUSSQAHYHR-IBGZPJMESA-N 420.436 5.162 0 1 HKAF c1ccc([C@@H]2CCc3ccc(OCCCN4CCN(c5ccccc5)CC4)cc32)cc1 26507866 KNKKDPPARKXECL-MHZLTWQESA-N 412.577 5.356 0 1 HKAF O=C(Nc1cccc2cnccc12)N[C@@H]1CCc2cc(O)ccc2[C@H]1Cc1ccccc1 28959365 UFYQTAFLSSXIDE-AOYPEHQESA-N 423.516 5.403 0 1 HKAF Cc1ccc([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN2C(=O)c2ccccc2)cc1 29128759 LSXGYACLBJICLR-NDEPHWFRSA-N 416.524 6.654 0 1 HKAF COc1ccc(NC(=O)Nc2ccc([C@@H]3CN4CCC[C@H]4c4ccccc43)cc2)cc1 29226582 TZGYXJGJLVOBLN-DQEYMECFSA-N 413.521 5.622 0 1 HKAF Clc1ccc(C[C@H](Cc2ccc(-c3ccccc3)cc2)n2ccnc2)c(Cl)c1 32090091 NVQBYKHOPUTNFK-QHCPKHFHSA-N 407.344 6.883 0 1 HKAF Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(Cl)c1OCCO 35796559 XCOOCMMEPVWFGD-OXQOHEQNSA-N 418.986 5.501 0 1 HKAF CN(C)CC[C@@H]1CCCc2ccc(NC(=O)Nc3cccc(Cl)c3Cl)cc21 45189013 CRCKAMVUPBZHNY-HNNXBMFYSA-N 406.357 6.009 0 1 HKAF S=C(Nc1ccc2ncnc(Nc3ccccc3)c2c1)Nc1cccc2ccccc12 45260802 VSDHGEFKJHSJGM-UHFFFAOYSA-N 421.529 6.336 0 1 HKAF Fc1ccc2nc(-c3cccc(-c4ccc(CNC[C@@H]5CCCO5)cc4)c3)[nH]c2c1 45302151 FALYBOCSJXJNLZ-QFIPXVFZSA-N 401.485 5.305 0 1 HKAF CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1nc2c(C)cccc2[nH]1 49723221 JKFZDIOUSVLQIK-ICSRJNTNSA-N 410.308 5.854 0 1 HKAF CCC(CC)(NC(=O)c1cnn2c1N[C@H](c1ccccc1)CC2(C)C)c1ccccc1 66113918 SOZDXLZQYICFHX-QFIPXVFZSA-N 416.569 5.620 0 1 HKAF O=C(O)CNc1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)c(Cl)c1 72105891 UNYIELANNNGUKK-UHFFFAOYSA-N 411.929 5.677 0 1 HKAF Cc1cnc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2ccco2)o1 82166019 YXSPXLYCTPYYDS-UHFFFAOYSA-N 416.359 5.211 0 1 HKAF C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]12 95911534 JUMCLWDAFILWKD-BYRJTPJBSA-N 424.713 8.233 0 1 HKAF biogenic,in-vitro CCOc1ccc2ccccc2c1C(=O)Oc1cccc2oc(-c3ccccc3)cc12 96922095 DSDTYCZSPZBYMY-UHFFFAOYSA-N 408.453 6.871 0 1 HKAF CCCCCn1c2ccccc2c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)ccc21 96938072 NYYAXZBPWLXGNF-UHFFFAOYSA-N 414.593 6.683 0 1 HKAF CC(C)(C)c1ccc(CN2CCC(/N=c3\cc(O)oc4ccc(Cl)cc34)CC2)cc1 101028922 LCUDDISCOUEHMA-HPNDGRJYSA-N 424.972 5.655 0 1 HKAF COc1ccc(-c2cc3cc(/C=C/c4cc(OC)cc(OC)c4)ccc3oc2=O)cc1 103181244 CIULIGYDTHEAQI-SNAWJCMRSA-N 414.457 5.656 0 1 HKAF CC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(N(C)C)cc2)C2=C(O)CC(C)(C)CC2=N1 103646443 IJDKCODRMKQEMD-QHCPKHFHSA-N 421.585 5.209 0 1 HKAF CCOc1cc([C@H]2/C(=C(\O)OC(C)C)C(C)=Nc3nc4ccccc4n32)ccc1O 103657755 FTZKYBQYECLVCB-MRJHHRETSA-N 407.470 5.031 0 1 HKAF COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nn(-c4ccccc4)c(O)c32)cc1 103881891 XXVRTFNWJZQCND-FQEVSTJZSA-N 415.493 5.437 0 1 HKAF C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 135688309 BADUKLRFTFBRSD-PUHUBZITSA-N 415.662 5.760 0 1 HKAF C[C@@H]1[C@H]2Cc3ccc(OC(=O)c4ccc(F)cc4)cc3[C@@]1(c1ccccc1)CCN2C 169321684 FOJNXCZDMCJBEO-ADCSMLMYSA-N 415.508 5.227 0 1 HKAF N#CN1[C@H](c2ccc(Cl)cc2)[C@@H](c2ccccc2)C(=O)C[C@@H]1c1ccc(Cl)cc1 195090070 GTFNZNFOQZIXSK-YFNKSVMNSA-N 421.327 6.315 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/c3occ4c3C[C@H](O)CC4)CCC[C@]21C 195154386 JDORDYYPUXBNLV-UPOWXRGCSA-N 414.630 6.306 0 1 HKAF Cc1n[nH]c(=Nc2ccc3c(c2)ncn3-c2ccc(C(F)(F)F)cc2)c2ccccc12 473105988 VXTNOSWGTSCNHS-UHFFFAOYSA-N 419.410 5.461 0 1 HKAF Cc1ncc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(C)c1Br 586979036 OKYHJZQYALATDX-UHFFFAOYSA-N 421.167 5.053 0 1 HKAF Clc1cc(Br)c2[nH]c(-c3ccnc(Br)c3Cl)nc2c1 587005727 PHNLALPCIVCTMN-UHFFFAOYSA-N 421.907 5.457 0 1 HKAF COc1cc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2cc1C 587022294 WUKXNKRNJWIDHF-UHFFFAOYSA-N 413.506 5.809 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccccc3CCC(F)(F)F)nc3cccc1c23 587104497 SFLBSTRNQXGJJS-UHFFFAOYSA-N 403.403 6.608 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)C(C)(C)C 587206077 VAIQOLGFJXYXRQ-FQEVSTJZSA-N 421.541 5.276 0 1 HKAF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)Cc3nc4cccc5c4c(c3[C@H]12)CC5 587216217 WNHTUDQKPPSHCI-AUGLRMBUSA-N 401.594 5.967 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(Br)c(F)cc2[nH]1 587236099 ZGSZZKQYMKEZJW-ZWNOBZJWSA-N 412.303 5.015 0 1 HKAF COc1ccccc1Nc1ccccc1-c1nc2cc(C)c(Br)cc2[nH]1 587241001 NHRVJTKJIVLNKM-UHFFFAOYSA-N 408.299 6.053 0 1 HKAF C[C@@]1(c2cc(F)c(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330315 GVOCXUVUFRQGGV-UNMCSNQZSA-N 418.798 5.737 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccncc2)[C@H]1c1ccc(F)cc1 587345274 ILZVNJYGMDRRKW-AZGAKELHSA-N 411.432 5.229 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)c3cccc4cccc2c34)[C@H]1c1ccc(F)cc1 587353844 PEVAGRUGEQTBEY-JYFHCDHNSA-N 410.400 5.135 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(C)(C)[C@H](C(=O)O)C3)c1 587365037 CRSVEOTUOBPWLE-SFHVURJKSA-N 401.462 5.482 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3ccc(Br)cc13)CC2=O 587457735 BYUJYPZXJGEHAE-IBGZPJMESA-N 400.272 5.295 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccc3ccccc3c1)CC2=O 587470320 SAMKGDLGYXPOEU-ZUSJUXBOSA-N 401.506 5.434 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Oc1ccccc1C=O)CC2=O 587483091 UWZOJXYVAXXNAV-XMMPIXPASA-N 402.446 5.656 0 1 HKAF Cn1cc(C(=O)c2cccc(Cl)c2)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587497286 AADLQBKIOFDRII-QHCPKHFHSA-N 419.908 5.495 0 1 HKAF O=C1C[C@@H](c2cccc(F)c2I)Oc2c1ccc1c2CCCC1 587507686 RTYOYEKJFZPDSY-KRWDZBQOSA-N 422.237 5.016 0 1 HKAF O=C1C[C@@H](c2c[nH]c3ccc(OCc4ccccc4)cc23)Oc2c1ccc1c2CCCC1 587523873 IMGZREXYKVHVMQ-MHZLTWQESA-N 423.512 6.332 0 1 HKAF O=C1C[C@H](c2cc(OCc3ccccc3)ccc2O)Oc2c1ccc1c2CCCC1 587524413 ODBWTSJUDCGREZ-RUZDIDTESA-N 400.474 5.557 0 1 HKAF O=C1C[C@@H](c2nc3ccc(Br)cc3s2)Oc2c1ccc1c2CCCC1 587536116 RMKUQWNJKKDQNF-KRWDZBQOSA-N 414.324 5.644 0 1 HKAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1-c1ccccc1 587595765 SLLNMMAFANCVEW-SHQCIBLASA-N 424.452 5.771 0 1 HKAF CCOC(=O)c1c(-c2cc(F)ccc2Br)[nH]c2ccc([C@H](C)CC)cc12 587643962 ZECCLUNETYEXKU-GFCCVEGCSA-N 418.306 6.427 0 1 HKAF Cc1ccc(C(F)(F)F)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587710950 IBHAIMFLNDRRMN-BMLIUANNSA-N 402.229 5.539 0 1 HKAF Cc1ccc(F)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1Cl 587715297 BZEWYEASLCZVDS-XTZNXHDOSA-N 400.694 5.487 0 1 HKAF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1Cl 587721948 XDYQWVURLMQGDV-RBHXEPJQSA-N 402.666 5.013 0 1 HKAF Cc1c(F)cccc1-c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587723102 VFTBKCMGIXIPCB-WIUDPPPLSA-N 418.281 5.919 0 1 HKAF Cc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587752158 CEHHNUGJENANJV-QRQCRPRQSA-N 413.334 5.619 0 1 HKAF CC[C@H](C)c1ccc([C@@]2(CC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587811468 GJIGPVIQEFINLH-AYSMAOOMSA-N 404.367 6.290 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OC2CCCC2)N1 587813350 VFVQJMOFVYZNOO-LRTDBIEQSA-N 404.323 5.533 0 1 HKAF C/C=C/[C@]1(C2=C(C)C=CCC2(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587815909 RBZXMIMNGVNWOW-OUMSRSOVSA-N 404.367 6.196 0 1 HKAF CC(C)c1ccc([C@]2(C(C)(C)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587827414 OOIKMQVNHAZIKF-FPTDNZKUSA-N 420.366 5.260 0 1 HKAF CCc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)oc2ccccc12 587827849 LTZPQHJREHXMCM-LAJNKCICSA-N 402.307 5.695 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(O)c3)cc2)N1 587835425 WFZHBONRPYIXMY-DMZKTXOQSA-N 412.302 5.584 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Nc1c(F)cccc1F 587864817 MDNWCMCSHNRWOE-UHFFFAOYSA-N 411.330 5.326 0 1 HKAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587927417 QGKOWXNMBGDKCZ-NSHDSACASA-N 415.362 5.171 0 1 HKAF CO[C@@H](C)COC1CCC(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CC1 587952990 YSPAQYPLJFYIAN-HJOIGYKYSA-N 421.566 5.917 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(/C=C\c3cccc4ccccc34)nc2c1 587968687 NXTBOFYPUPSLNF-HJWRWDBZSA-N 406.329 6.924 0 1 HKAF COc1cc2c(cc1OC)[C@](c1ccc(C)c(C)c1)(c1cccs1)N(C)[C@@H](C)C2 962564305 GTJHODSXGJUUIY-AVRWGWEMSA-N 407.579 5.550 0 1 HKAF C[C@H](C(=O)c1ccccc1)[C@@]1(C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962629309 JKVMLZDBANVKKA-ZNFSXRAMSA-N 410.561 5.168 0 1 HKAF Cn1nc2ccc(Br)cc2c1[C@@H]1NCCc2cc(-c3ccccc3)ccc21 962668723 QQLFNVWBKHYHHD-JOCHJYFZSA-N 418.338 5.238 0 1 HKAF O=C(O)CC[C@@]1(c2ccc(Cl)cc2)c2ccsc2CCN1Cc1ccco1 962711579 MEZQEYMWVCGGPD-OAQYLSRUSA-N 401.915 5.161 0 1 HKAF CCOC(=O)CC[C@@]1(c2cc(F)cc(Cl)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963096631 FRQCXYIEYJNMPG-NZQKXSOJSA-N 419.899 5.226 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)c1c(-c2ccc(Cl)cc2)noc1C 963613647 VHUAWRPMOYNTTK-NPMABZOXSA-N 412.917 5.118 0 1 HKAF CCC[C@@H]1C[C@H](CCc2ccc(O)c(OC)c2)O[C@H](C=C(C)CCC=C(C)C)O1 2356352556 WJMAMCWCNHAOTC-OTNCWRBYSA-N 402.575 6.326 0 1 HKAF CC1=C(C=CC2=C3CC[C@H]([C@H](C)C=C[C@](C)(O)C(C)C)[C@@]3(C)CCC2)C[C@H](O)CC1 2356391022 HYLCFKGHPPBTLL-NPYOGTTKSA-N 412.658 6.900 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C[C@H](O)CC[C@@]4(C)C3=CC[C@]12C 2356416634 AGVCHWQWQGSFDP-KHXXOFOMSA-N 410.686 7.721 0 1 HKAF CC(C)=CCCC1=C[C@H](CC(C)=CCC[C@]2(C)C=Cc3cc(O)cc(C)c3O2)OC1=O 2356440446 BNWXBVSPPVIYFO-RPLLCQBOSA-N 422.565 6.580 0 1 HKAF CC(C)[C@@H](C)C[C@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356452304 LSZJAIFORSLKOY-GCIRPZEUSA-N 416.690 6.606 0 1 HKAF COc1ccc(C(=O)[C@@H]2C(=O)O[C@](C)(CCC=C(C)CCC=C(C)C)[C@@H]2C)c(O)c1 2356458359 KIPSERMYRVHHGN-YBGOQADZSA-N 414.542 5.624 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1C=CC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356500235 PSJWKKYLLIKCCF-ZYSMVMOGSA-N 410.686 7.865 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356573137 APYVEUGLZHAHDJ-WQOBWHEXSA-N 404.679 6.439 0 1 HKAF CC(=CCc1c(O)cc(C=Cc2ccccc2)c(C(=O)O)c1O)CC=CC(C)(C)O 2356581702 GQZRMSLCMZMVGT-UHFFFAOYSA-N 408.494 5.172 0 1 HKAF CC(=CCC[C@@H](C)C=C1OC(=O)C(C)=C1O)CCCc1coc(Cc2ccoc2)c1 2356622017 YIWFEASCLZQHBJ-GOSISDBHSA-N 410.510 6.421 0 1 HKAF COc1cc(C)c(O)c(C[C@H]2[C@@H]3CCC(=C(C)C)[C@@H](CCC(=O)O)[C@H]3CC[C@H]2C)c1 2356802252 SAEUKSAQLUZKAT-UMAORYOQSA-N 414.586 6.141 0 1 HKAF COc1ccc2cc(-c3cn(C(=O)N(c4ccccc4)c4ccccc4)nn3)ccc2c1 198393515 SZYVRHJMVOAKKD-UHFFFAOYSA-N 420.472 5.913 0 3 HKAF O=c1c(-c2ccc(Cl)c(Cl)c2)cccn1[C@H](CN1CCCC1)c1ccccc1 1553827 MDYGKMRDEQAVJL-JOCHJYFZSA-N 413.348 5.507 0 1 HKAF O=C(O)CCCCCCc1ocnc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1 13834180 JEBGHNRJBBVSHT-UHFFFAOYSA-N 416.477 6.241 0 1 HKAF COc1c(-c2c(C)cc(OC)c3c(OC)cccc23)c(O)cc2c1[C@H](C)N(C)[C@@H](C)C2 14421090 JITCIHHOZPFUCR-HOTGVXAUSA-N 421.537 5.484 0 1 HKAF biogenic CCOc1ccc(Br)cc1-c1cc(Nc2ccc(Cl)cc2)nc(N)n1 26396019 YPFQDDYUMBCPDZ-UHFFFAOYSA-N 419.710 5.284 0 1 HKAF Fc1ccccc1CO[C@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 27546939 CWSRCSCGTHQTFM-SXOMAYOGSA-N 401.525 5.637 0 1 HKAF CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)nc3sc4ccccc4n23)cc1 27560713 TZEWPOKPSDQKJZ-UHFFFAOYSA-N 404.516 5.287 0 1 HKAF CCCCSCCCc1cc([C@@H](CC)[C@@H](CC)c2ccc(O)cc2)ccc1O 29391487 VGGNONNHCHUDLR-BJKOFHAPSA-N 400.628 7.251 0 1 HKAF CSc1ccc(-c2nc(-c3cccc(NC(C)=O)c3)c(-c3ccncc3)[nH]2)cc1 38143318 RAYMZLRCGJSAFH-UHFFFAOYSA-N 400.507 5.486 0 1 HKAF O=C(Cc1ccc(F)cc1)S[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 39233086 UQUXAKQLUJBVTD-SFHVURJKSA-N 409.313 5.573 0 1 HKAF CC1=C(/C=C/C2=CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)[C@@H](O)CCC1 40164519 REBCKWLPJGCBRY-RFBNZYKSSA-N 400.647 6.734 0 1 HKAF endogenous,in-man CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](CO)[C@@H]1CC3 40165506 UPEGTKGKNWDIAN-HFSHLDMRSA-N 416.690 6.751 0 1 HKAF endogenous,in-man O=C(c1csc2ccccc12)N(Cc1ccccc1)C1CCC2(CC1)OCCO2 40896629 UGAGGRBTZIFCOZ-UHFFFAOYSA-N 407.535 5.229 0 1 HKAF Cc1ccc(/C=C/C(=O)O)c(OCC[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c1 45340257 PKMNMSCDYRNEDJ-DRUWVYPFSA-N 410.510 5.276 0 1 HKAF COc1ccccc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(O)cc1 49808500 LPUQWNJVLYEPBX-GIWBLDEGSA-N 422.481 5.246 0 1 HKAF CCOc1ccccc1N(Cc1ccccc1)Cc1coc(-c2cccc(F)c2)n1 72103719 LYLYVSRSAYZSFL-UHFFFAOYSA-N 402.469 6.086 0 1 HKAF C[C@H](CCc1ccccc1)Nc1cc(Oc2ccc(C(=O)c3ccccc3)cc2)ncn1 82067652 IMWZIXHISVJXNC-HXUWFJFHSA-N 423.516 5.933 0 1 HKAF CC(C)N(Cc1ccccc1)C(=O)c1cnc(NC2CCCC2)nc1-c1ccco1 82142843 PSZKJTROGVZURX-UHFFFAOYSA-N 404.514 5.142 0 1 HKAF CCCCCCOCc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F 100818079 WNXMYSCWVVBIRN-UHFFFAOYSA-N 420.431 5.139 0 1 HKAF OC1(c2ccc(Cl)c(Cl)c2)C[C@H]2CC[C@H](C1)N2Cc1coc2ccccc12 101185334 YQJSOEKFOQHZGK-IAGOWNOFSA-N 402.321 5.754 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccc3c(c2)OCO3)C[C@@H](c2cccs2)C1 103971051 SCYAEIROVFUQQK-OYLFLEFRSA-N 416.502 6.106 0 1 HKAF Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4c(F)cccc43)cccc2cn1 118639969 QTDRSEIGXUBECZ-LJQANCHMSA-N 415.415 5.005 0 1 HKAF C/C=C(/C)C(=O)O[C@@H]1[C@H](O)C[C@]2(C)[C@@H](CC/C(C)=C\C(=O)O)C(C)=CC[C@H]2C1(C)C 137743897 SAXSBOCXDXLSTA-VLEAEDFOSA-N 418.574 5.055 0 1 HKAF COc1cccc2c1-c1ccc3c(c1[C@@H]([C@@H]1/C=C/CCCCC1)O2)C(C)=CC(C)(C)N3 169311170 NYZPSKBMSBIASN-NPYAPQCGSA-N 415.577 7.540 0 1 HKAF COc1ccc2c(c1)N[C@H](c1c(F)cccc1Cl)[C@@H]1C(=O)CC(C)(C)CC1=N2 169722086 MUTFGIGDWWSLNP-LEWJYISDSA-N 400.881 5.732 0 1 HKAF Fc1cc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)ccc1C(F)(F)F 200394736 XJOXSXUGPLCLSO-UHFFFAOYSA-N 418.434 6.729 0 1 HKAF CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc(-c2ccn[nH]2)cc1)c1ccccc1 218422271 BXYRCNCGUCJPBH-CCUDOUGISA-N 420.512 6.544 0 1 HKAF CCc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1 224106665 XTQCXARPHLZHEE-UHFFFAOYSA-N 415.545 5.189 0 1 HKAF CC(C)[C@@]12CC=C3[C@@](C)(CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]1[C@@H](C)CC2 255221437 JNXIOHHREZIVAB-SLGZZCBNSA-N 424.713 8.233 0 1 HKAF O=C(CCSc1nnc(-c2ccncc2)s1)Nc1c(Cl)cccc1Cl 473085533 XLKVYWWRZCQAMZ-UHFFFAOYSA-N 411.339 5.028 0 1 HKAF Cc1oc2c(c1-c1nc3cc(Br)cc(C(F)(F)F)c3[nH]1)C(=O)CCC2 586902741 FPADLXZOPQGVRH-UHFFFAOYSA-N 413.193 5.432 0 1 HKAF CCOc1cc(/C=C/c2nc3cc(F)c(F)cc3[nH]2)cc(Br)c1OC 586978404 QXIZGVJKQIFFGU-SNAWJCMRSA-N 409.230 5.181 0 1 HKAF Ic1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 587023088 DKOQAFLTSKPIPU-UHFFFAOYSA-N 409.277 5.020 0 1 HKAF Cc1ccc2[nH]c(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCC4)nc2c1C 587032180 ZRWFELSYZPFKFG-UHFFFAOYSA-N 421.953 6.303 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(Cl)cc3[nH]1)N2 587032974 WQUICCHKFUHXLQ-QOUOVQQFSA-N 404.948 5.343 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587033533 IFGTXTGXRIVRCF-GFCCVEGCSA-N 419.337 5.751 0 1 HKAF COc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c(Cl)c2)c1 587051224 BBPZGYDJQAITKP-UHFFFAOYSA-N 403.791 5.973 0 1 HKAF Cc1cc(-c2nc3c(C)c(C)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587059048 MBNSKUOVMGGACE-UHFFFAOYSA-N 415.928 5.910 0 1 HKAF Clc1cccc(-c2cc(-c3nc4ncc(Br)c(Cl)c4[nH]3)n[nH]2)c1 587068182 KMRDKXMZARAWHN-UHFFFAOYSA-N 409.074 5.084 0 1 HKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587069414 KCPOZHMKDFBTPB-CYBMUJFWSA-N 404.901 5.424 0 1 HKAF CCCCc1c(CP(=O)(OC)OC)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587101837 ISICGVCJLTUPCF-UHFFFAOYSA-N 423.449 6.083 0 1 HKAF C[C@@H](CSc1ccc(F)cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 587170026 HWJCVIOCMQNSGN-QMMMGPOBSA-N 400.704 5.409 0 1 HKAF CCCOc1cc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2cc1Br 587176734 QAMWKVNMDZSKML-UHFFFAOYSA-N 415.266 5.051 0 1 HKAF Cc1cccc(C)c1OC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346614 JUBFBCOQTSMFKE-WIOPSUGQSA-N 406.453 5.345 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CC=C(c3ccccc3)CC2)[C@H]1c1ccc(F)cc1 587356204 ZHYKCRSZZHUHEE-AZGAKELHSA-N 400.449 5.897 0 1 HKAF CCc1cccc2c1OCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356292 JFDFQBWFRPFFCJ-RCZVLFRGSA-N 404.437 5.131 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CCCC(=O)[C@]2(C)C3)c1 587365422 HHTCYQXMILFTJY-HHHXNRCGSA-N 409.485 6.355 0 1 HKAF O=C1c2ccc(O)cc2OC(c2cccs2)(c2cccs2)[C@@H]1c1ccc(F)cc1 587372019 DSBDYDWFDYPELC-OAQYLSRUSA-N 422.502 5.957 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(CSc4ccccc4)c(OC)c1)[C@@H](C2)C3=O 587449806 CYFIRLQIOSTUCC-NBGIEHNGSA-N 418.514 5.485 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(F)c(Br)c1)CC2=O 587467868 TWFPBAAOSRVWRJ-HXUWFJFHSA-N 407.279 5.517 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1sc(-c3ccc(F)cc3)nc1C)CC2=O 587472613 RZWJWETWUMKRPO-QHCPKHFHSA-N 411.498 5.796 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](OCC)c1ccccc1)CC2=O 587478600 KBLNVEFJODDBBL-SXOMAYOGSA-N 416.517 5.983 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N(c2ccccc2)c2ccccc21 587484881 GXWWOXDTYOKVEO-SANMLTNESA-N 413.473 5.274 0 1 HKAF CCOC(=O)[C@@H](Cc1ccc(C)cc1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526866 UPWFXOMYLNRFQK-GJZUVCINSA-N 406.522 5.020 0 1 HKAF Nc1sc2c(c1[C@]1(c3cccnc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 587535049 HZMVQXOFTUFACV-RUZDIDTESA-N 416.546 5.002 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ccc2ccncc12 587549943 UAEWFQMIRZDXEE-REWPJTCUSA-N 403.821 5.297 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cccc1OC(F)F 587557513 SFNHGFMXHFPGOO-YLJYHZDGSA-N 418.779 5.350 0 1 HKAF CCc1ccc([C@@]2(c3cccnc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587585650 GGYSDWJMOXBWSS-SQHAQQRYSA-N 423.468 5.255 0 1 HKAF CCc1ccc(CC(C)(C)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587603675 QURAVHPFEKRSIU-RCZVLFRGSA-N 402.490 5.554 0 1 HKAF C[C@]1(c2cc(Cl)sc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615529 XZRBIQUVFFIEOZ-DNVCBOLYSA-N 407.274 5.638 0 1 HKAF O=C(O)Cc1c(-c2ccc(Cl)cn2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625675 JYDWLMQCDNNBSA-UHFFFAOYSA-N 422.712 5.548 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=Cc3cc(Cl)ccc3OC2)N1 587695064 ICDHJOMHQKIULI-OVWNDWIMSA-N 408.698 5.293 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(Cl)c(Cl)cc32)N1 587703729 ZLYJSNIZBXKSHD-NIVTXAMTSA-N 415.133 5.619 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ccnc(Cl)c3c2)N1 587704930 LIFCYWLYWRAOKM-MGNBDDOMSA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2c(F)cccc2Cl)N1 587717759 GONOQDFKLIBLTP-HWPZZCPQSA-N 400.694 5.589 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccccc3F)c2)N1 587730197 WYZSJQYCFPVFQF-XMHCIUCPSA-N 414.293 6.018 0 1 HKAF Cc1cc(C)cc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587758444 XOBLSWULFMILDO-OYHNWAKOSA-N 413.334 5.619 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1 587780717 ZODOVMMLTPLZKF-UHFFFAOYSA-N 420.516 6.127 0 1 HKAF Cc1nc(-c2ccccc2)[nH]c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587791989 NSLYRBBOERHVEU-XUSGNXJCSA-N 414.322 5.084 0 1 HKAF CCOc1ccc(OCC)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587804413 ZGXDBHJKXUWLDC-LRTDBIEQSA-N 422.338 5.183 0 1 HKAF Cc1cc(C)c2c(c1)CC(C)(C)C[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587824630 XXPLVBIRIBPYDA-IQMFZBJNSA-N 416.378 5.955 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(c3ccc(O)cc3)CC2)N1 587834589 SJAKWVUURHTYJY-PCODGMICSA-N 404.323 5.381 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2cc(OC)ccc2s1 587867301 WLXJYMFGKAPNKV-UHFFFAOYSA-N 419.428 5.575 0 1 HKAF Brc1ccc(Br)c2[nH]c(-c3ccc(OC4CCC4)cc3)nc12 587951992 LCRNRSUKPFSALI-UHFFFAOYSA-N 422.120 5.686 0 1 HKAF FC(F)(F)C(F)(F)c1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cn1 587956767 WAUCFSSKSAHZRB-MRXNPFEDSA-N 417.381 5.987 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c(/C=C\c3cccc4ccccc34)nc2c1 587969024 PLRSKPBTPKHVEH-HJWRWDBZSA-N 417.228 6.668 0 1 HKAF COc1cc(C=O)ccc1-c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1 653698587 BSQVJNCDUAEBNR-UHFFFAOYSA-N 413.861 5.716 0 1 HKAF COc1ccc2c(c1OC)[C@@H](c1ccc(-c3cc(C)cc(C)c3)cc1)N(C)[C@H](C)C2 962628162 OJRDOOCNZYQFFS-NIYFSFCBSA-N 401.550 5.953 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cn(-c3ccc(Cl)cc3Cl)nn2)N1 962949290 FEOGHSGBKRXWJZ-ZSEKCTLFSA-N 412.324 5.069 0 1 HKAF CCOC(=O)CC[C@@]1(c2cc(C)c(C)cc2C)c2c(F)cccc2C[C@@H]2CCCN21 963113561 RSEBLGDTFLNKNQ-HFZDXXHNSA-N 409.545 5.358 0 1 HKAF Cc1ccc2nc(-c3ccc(F)cc3)c([C@@H]3c4c(F)cccc4C[C@@H]4CCCN43)n2c1 963116432 WYAQULAOMYDSPQ-CPJSRVTESA-N 415.487 5.698 0 1 HKAF Cc1ccccc1[C@]1([C@@H]2CCC[C@H](C)C2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963229749 PXTXHPJYHDIUCS-ZELUXDHKSA-N 414.549 5.212 0 1 HKAF FC(F)(F)c1ccc(N2CCN(CCOc3ccc4ccccc4c3)CC2)cc1 1857648465 ZCHHMMIVCMFXLD-UHFFFAOYSA-N 400.444 5.060 0 1 HKAF Fc1ccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(CN4CCOCC4)n3c2)cc1 1857649547 CNSJERKTTMOZOG-UHFFFAOYSA-N 421.903 5.293 0 1 HKAF Cc1ccc(CSc2nc(N)c3c4c(sc3n2)C[C@H](C(C)(C)C)CC4)s1 1857748748 MONCEUMMVDWRDL-GFCCVEGCSA-N 403.642 6.087 0 1 HKAF O=C(Nc1ccc(Cl)c(-c2nnc3c(Cl)cccn23)c1)c1ccc(Cl)cc1 1911573798 LRTLHDUXPNLVJJ-UHFFFAOYSA-N 417.683 5.609 0 1 HKAF CC=C(C)C(=O)OC[C@@H]1[C@H](OC(=O)C(C)=CC)CC[C@@H]2Cc3occ(C)c3C[C@@]21C 2356451430 GESXOZGUMUECSU-JKPKGCNWSA-N 414.542 5.107 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2[C@H](OC(=O)C=C(C)C)c3occ(C)c3C[C@@]2(C)[C@@H]1C 2356528526 YFTBXGVKABIJQN-FFJQWNKYSA-N 414.542 5.625 0 1 HKAF CC(=CCCc1ccoc1)CCC=C(C)CCC[C@H](C)C[C@]1(O)C=C(C)C(=O)O1 2356791332 INSCVBGXYZLIFV-SQJMNOBHSA-N 400.559 6.273 0 1 HKAF CCc1nc2c(OCCC3CCCCC3)cccn2c1N(C)C(=O)c1ccccc1F 61905600 QAWMSFDBJCFNFN-UHFFFAOYSA-N 423.532 5.662 0 3 HKAF O[C@@](c1ccccc1)(c1nc(-c2cccc(C(F)(F)F)c2)cs1)C(F)(F)F 61907673 RNURDSFRXIOPHF-INIZCTEOSA-N 403.347 5.627 0 3 HKAF CN(C)c1cccc(CNc2nccc3[nH]c(-c4cccc(C(F)(F)F)c4)nc23)c1 82082293 HXLBGZUHTUIPQR-UHFFFAOYSA-N 411.431 5.322 0 3 HKAF CC[C@H](CCCc1ccc(OC)cc1)CCC(=O)N(c1ccccc1)c1ccccc1 203473099 KWUKXHJHCBPBSL-HSZRJFAPSA-N 415.577 7.189 0 3 HKAF CCC(=O)N(C1CCCCCCC1)C1CCN(CCCOc2ccc(F)cc2)CC1 3993836 LQAZWKSHGLDNPG-UHFFFAOYSA-N 418.597 5.411 0 1 HKAF CC1(C)CCC(C)(C)c2cc(C3(c4ccc(C(=O)O)cc4)SCCS3)ccc21 5762193 NWFLPURWUQNLIV-UHFFFAOYSA-N 412.620 6.415 0 1 HKAF CN(C)Cc1ccc(CSCCCCCSCc2ccc(CN(C)C)o2)o1 13452569 DCTRPSAPKPORBP-UHFFFAOYSA-N 410.649 5.333 0 1 HKAF O=C(Nc1ccc(F)cc1F)Nc1cnc2ccc(Cl)cc2c1-c1ccccc1 13737634 NVKYPGQLEOWILM-UHFFFAOYSA-N 409.823 6.477 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1Cc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O 14825104 ZDMLVDJENNJFML-QGZVFWFLSA-N 422.477 5.207 0 1 HKAF biogenic CC[C@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4ccccc4)sc3C)ccc21 28566356 MDOUYVQGTYTRTO-RBBKRZOGSA-N 421.562 5.881 0 1 HKAF Cc1ccc(-n2cc3c(n2)c(NC(=O)NCc2ccccc2)nc2ccccc23)cc1 28710908 YFABQMSWGGEFMR-UHFFFAOYSA-N 407.477 5.204 0 1 HKAF O=C(O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(F)cc2Cl)n1 38268955 ATYIYCGUNFUDCG-UHFFFAOYSA-N 406.240 5.396 0 1 HKAF CNC(=O)/C=C/c1cnc2ccc(O[C@H](C)c3c(Cl)ccc(F)c3Cl)cc2c1 45364177 WADWCVLVMLDBOV-STWLFGJUSA-N 419.283 5.580 0 1 HKAF in-vitro C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 61389568 GMBQZIIUCVWOCD-GJQTUHROSA-N 416.646 5.794 0 1 HKAF CO[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)NCCC(C)C)CC[C@H]4[C@@H]3CC[C@@H]2C1 72134960 FPYGMKMGRVHQNZ-BAVCMNQCSA-N 403.695 6.685 0 1 HKAF Cc1cc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)nc(C)c1Br 73160592 QAFCXKOWBDUYMW-MRXNPFEDSA-N 415.715 5.032 0 1 HKAF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccccc3F)n2)C1 82151601 IRJNGUASXAFUFF-QZTJIDSGSA-N 424.564 5.170 0 1 HKAF Cc1cccc(-c2nc(N3CCCCC3)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 82173303 VKXBHHSRMADXRC-UHFFFAOYSA-N 410.521 6.073 0 1 HKAF CC(C)=CCC/C(C)=C/CC[C@H](C)[C@@]1(C)CCC2=C1CC[C@@H]1C(C)(C)CCC[C@]21C 95914466 JCONZYYZINSVKI-KNGMKZGOSA-N 410.730 9.819 0 1 HKAF biogenic,in-vitro CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H](CCc3ccoc3)[C@H](CCCO)CC[C@H]21 96270790 FUZYWESKSLTSJX-JHRRKWFBSA-N 400.647 7.260 0 1 HKAF Cc1csc(Nc2ncc(Sc3ccccn3)cc2OCc2ccccc2)n1 96284833 LNDXOEJPYHCIAV-UHFFFAOYSA-N 406.536 5.715 0 1 HKAF CCN1C(=O)[C@H](c2ccccc2)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 96922307 SIHMSDNDQPTUKO-NRFANRHFSA-N 424.422 5.520 0 1 HKAF CC(C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1cccs1 100703373 SVMXJQPRLZYLPQ-OAHLLOKOSA-N 401.557 5.594 0 1 HKAF O=C(NC12CC3CC(CC(C3)C1)C2)N[C@H]1CC[C@H](OCc2c(F)cccc2F)CC1 101098582 BYVQOOJCIFDJPB-NLPDUPBUSA-N 418.528 5.061 0 1 HKAF O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(Oc2ccc(-c3ccccc3)cc2)CC1 103269877 UOYCWQZNXUQGJP-FTJBHMTQSA-N 412.533 5.463 0 1 HKAF CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(O)c2)C2=C(O)CC(C)(C)CC2=N1 103520984 OBJSHHWQLKYHNV-QFIPXVFZSA-N 409.526 5.712 0 1 HKAF Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc([C@@H]2CCCNC2)cc1 169340493 XFFNYLDVSCBRCG-JOCHJYFZSA-N 400.570 5.655 0 1 HKAF O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1cc(Cl)cc(Cl)c1 473114003 IBNJJBGOQUDBKY-UHFFFAOYSA-N 405.369 5.068 0 1 HKAF Cc1c(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)oc2c1[C@H](O)CCC2 586904732 AFENHPUHMQQVOF-LLVKDONJSA-N 415.209 5.282 0 1 HKAF CCOc1cc(/C=C/c2nc3cc(Cl)cc(C)c3[nH]2)cc(Br)c1OC 586977764 HZNDJOJOOOUTPX-AATRIKPKSA-N 421.722 5.865 0 1 HKAF Cc1ncc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(C)c1Br 586978979 NBOPHMKOQFLNJZ-UHFFFAOYSA-N 404.617 5.676 0 1 HKAF CC1(C)CCSc2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc21 586993406 LVVSHQPRKZXPHE-UHFFFAOYSA-N 423.537 6.592 0 1 HKAF N[C@H](Cc1nc2cccc(OCc3ccccc3)c2[nH]1)c1ccc(Br)cc1 586996283 CYXXQDBXOJCOLQ-GOSISDBHSA-N 422.326 5.147 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(OC)cc(OC)c2[nH]1 587032828 CWVNFFKOJNLWGD-HNNXBMFYSA-N 409.511 5.066 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cccc(Cl)c3[nH]1)N2 587033358 YVVVUDSWCOBSPJ-BNDQCTAISA-N 404.948 5.343 0 1 HKAF CC(C)(C)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1 587080123 AFWHNJUGVCKPKH-UHFFFAOYSA-N 401.901 5.891 0 1 HKAF COc1cc(-c2nc3cc(C)c(Cl)cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143550 IJXBZUBJPDHLSW-UHFFFAOYSA-N 410.832 5.705 0 1 HKAF COc1ccc(C(=O)c2ccccc2-c2nc3cc(OC)c(Cl)cc3[nH]2)cc1F 587144865 QFJLCSFXLOHANF-UHFFFAOYSA-N 410.832 5.271 0 1 HKAF CCCCCOc1cc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c2cc1Br 587152066 YMMZSZLQNXDCKU-SFHVURJKSA-N 424.289 5.221 0 1 HKAF CCCCOc1cc2nc([C@H](C)Oc3ccc(F)cc3)[nH]c2cc1Br 587168394 HXKHHQKEMLZALO-LBPRGKRZSA-N 407.283 5.783 0 1 HKAF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587172163 YBEVHCPPNGXOAE-AWEZNQCLSA-N 419.550 6.875 0 1 HKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 587238451 JMRQQZKHBLXZSB-UHFFFAOYSA-N 412.415 6.071 0 1 HKAF CC[C@]1(c2cccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331246 IXVIFDSOSQTBTK-NFBKMPQASA-N 414.835 5.988 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCOc3cc(Cl)ccc32)[C@@H]1c1ccc(F)cc1 587331279 PHMCTQVUBPKPRO-FYYLOGMGSA-N 410.828 5.222 0 1 HKAF CC1CCC(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)CC1 587347764 UXBOKLGFZHDSDO-KGGRFHARSA-N 423.528 5.304 0 1 HKAF CCC[C@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354591 OAZONAANEZIIBV-AZGAKELHSA-N 404.481 6.062 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C(c2cccnc2)CC3)c1 587363162 OHADGQLLTKWSQH-UHFFFAOYSA-N 404.469 6.538 0 1 HKAF COc1cccc(-c2cc(-c3cc(C(=O)O)cs3)nc3c2oc2ccccc23)c1 587365479 MRYINJPUYAXQQM-UHFFFAOYSA-N 401.443 6.083 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1Oc1ccc(Cl)cc1Cl)O2 587377273 VTHYSQULQMGZSY-NRFANRHFSA-N 414.288 6.383 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)c(C)c1)(c1ccccc1Cl)CC2=O 587465415 DKJKSVDYVPUQAQ-VWLOTQADSA-N 424.899 6.355 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)c3ccccc3)cc1)CC2=O 587482509 OVYMRDGRRDWWDW-RUZDIDTESA-N 416.473 5.313 0 1 HKAF O=C1C[C@]2(CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)Oc2c1ccc1c2CCCC1 587518849 RGQBUZCGZYJRSO-DDZLNHKNSA-N 401.550 5.202 0 1 HKAF O=C1OCc2ccc(-c3ccc([C@@H]4CC(=O)c5ccc6c(c5O4)CCCC6)o3)cc21 587532734 NMPHEVOANWCZJQ-QHCPKHFHSA-N 400.430 5.202 0 1 HKAF CC[C@H]1CN=C(Nc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)S1 587537650 JRTSVXQPRGGLKD-DFBJGRDBSA-N 420.578 5.739 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(Cl)c2)o1 587542854 AKCURCUKPDQRLQ-URXFXBBRSA-N 418.832 6.009 0 1 HKAF CC(C)n1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccccc21 587580043 WUWAGYLWZVYXKM-NZQKXSOJSA-N 400.434 5.026 0 1 HKAF C[C@@]1(c2cccc(Oc3ccccc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602142 WTHKJCINZSKFPO-IGKIAQTJSA-N 424.452 6.062 0 1 HKAF Clc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2cccnc2)cc1 587621359 BSHVWJPSVWUKGW-UHFFFAOYSA-N 423.701 6.189 0 1 HKAF Fc1ccc2[nH]c(-c3ccc(Br)cc3)c(-c3ccccn3)c2c1Cl 587628382 NHEVHNPJJAJNKI-UHFFFAOYSA-N 401.666 6.452 0 1 HKAF Cc1cc(Cl)cc2c1OCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587694576 HGLOBVYWKIOHKP-JEOXALJRSA-N 410.714 5.110 0 1 HKAF CCCOc1ccc(Cl)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587697891 PLWGVEBDIWVFFC-WLRWDXFRSA-N 412.730 5.654 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)cc2N2CCCC2)N1 587726455 IQLWASWZMVLDJF-ZSEKCTLFSA-N 421.329 5.125 0 1 HKAF CCOc1cccc(OCC)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587803814 XZVFJNDCUSNYSD-LRTDBIEQSA-N 422.338 5.183 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)s2)(C2CCC2)N1 587850520 ZLXIYPOIKKDJIF-MGNBDDOMSA-N 414.771 5.881 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCSc3c(Cl)cccc32)N1 587857814 NHUWWKAXLNCJLL-MGNBDDOMSA-N 412.755 5.515 0 1 HKAF Fc1ccc(F)c(-c2csc(COc3ccc(C4SCCS4)cc3)n2)c1 587922709 XIFDATYICFCMSJ-UHFFFAOYSA-N 407.532 6.146 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(O)cc2[nH]1 587958766 HVWCNTFCNACRBA-RCHUDCCISA-N 418.625 8.123 0 1 HKAF FC(F)(F)c1ccc(-n2ncc3c2CC2(CCCCC2)c2c-3[nH]c3ccccc23)cc1 621478508 WPFJBICCDZDLOD-UHFFFAOYSA-N 421.466 6.797 0 1 HKAF Cc1ccc(C2=C[C@]3(NCCc4cc(C)c(F)cc43)c3cc(Cl)c(C)cc3O2)cc1 962295231 CLKQKOTUAVXYJU-AREMUKBSSA-N 419.927 6.227 0 1 HKAF Clc1ccc(C(=CCCN2CCc3ccccc3C2)c2ccc(Cl)cc2)cc1 1772632995 YFYVWKOXKJTAMY-UHFFFAOYSA-N 408.372 6.874 0 1 HKAF O=C(NC[C@H]1CCCN(Cc2nc3ccccc3s2)C1)c1ccc2ccccc2c1 1772655175 KTYMYKBCBUASMF-GOSISDBHSA-N 415.562 5.092 0 1 HKAF O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1NS(=O)(=O)c1ccccc1 1857589000 USUUWWHRCJHUDW-UHFFFAOYSA-N 421.305 5.047 0 1 HKAF CC(C)=C[C@@H](O)CC(C)=CCc1c(O)cc2c(c1O)O[C@H](c1ccccc1)CC2=O 2356482510 NZQIAPMLLOBATL-JPYJTQIMSA-N 408.494 5.010 0 1 HKAF CC1=C(C(C)C)[C@H]1C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356512295 XMKPXGGZJIEBEJ-JLMDCIATSA-N 412.702 7.635 0 1 HKAF C[C@@H](CO)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356577430 DKISDYAXCJJSLZ-BBUGEBPPSA-N 404.679 6.441 0 1 HKAF C[C@@H]1CCC([C@H](C)[C@@H]2[C@H](O)C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1 2356602686 IWJUNMWYVUJLJD-RZVXKJCHSA-N 414.678 5.450 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1cc(O)cc(O)c1)O2 2356651817 CVIHLQPNGRNSIC-QFIPXVFZSA-N 424.493 5.451 0 1 HKAF CC(=O)O[C@@H]1CC[C@]2(C)C(=CC=C3[C@@H]2CC[C@]2(C)[C@@H]3CC[C@H]2[C@@H](C)C=CCC(C)C)C1 2356658568 WYYWMDKEJYOPEU-VGGRGQITSA-N 424.669 7.656 0 1 HKAF COc1cc([C@@H](O)c2nc(/C=C/c3ccc(C(F)(F)F)cc3)cs2)ccc1F 61928000 YDRJBPYPOSIMOT-SBLNNXNXSA-N 409.404 5.562 0 3 HKAF C[C@H](CCC1=NCCN1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 5842726 OIWWZBNLXIPEMI-GBURMNQMSA-N 400.651 5.424 0 1 HKAF O=C1N(c2ccccc2)c2ccccc2[C@@]1(Cc1ccncc1)Cc1ccnc(F)c1 13556075 QJFWYPLAZRLAIV-AREMUKBSSA-N 409.464 5.017 0 1 HKAF Clc1ccc(OCCNCc2ccc(-c3ccccc3)cc2)c2c(Cl)c[nH]c12 13798076 QKTPBUJMUOSYFI-UHFFFAOYSA-N 411.332 6.310 0 1 HKAF CCCC[C@H]1N=C(O)C2(CCCC2)N1Cc1ccc(-c2ccccc2C(=O)O)cc1 13833601 ILERVMNMFVURPH-QFIPXVFZSA-N 406.526 5.653 0 1 HKAF CC(=O)O[C@@H]1/C=C(\C)[C@@H](OC(=O)c2ccc(O)cc2)C/C=C(/C)CCCC1(C)C 14441602 YUURXLYREVDXOP-JUYKCAJISA-N 400.515 5.342 0 1 HKAF C[C@@H]1C(=O)c2c3c(c4oc(=O)cc(-c5ccccc5)c4c2O[C@@H]1C)C=CC(C)(C)O3 14768075 JCKXVEVCXNXGQW-UONOGXRCSA-N 402.446 5.244 0 1 HKAF biogenic CCCCOCCCNc1ncnc2nc(-c3ccccc3)c(-c3ccccc3)nc12 28347480 IWEWJNBLXUGEPO-UHFFFAOYSA-N 413.525 5.373 0 1 HKAF C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCCC3)cc2)cc1 28761162 UUADCMGWFPSKNX-SFTDATJTSA-N 406.570 5.231 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 35033196 UROPIWALBBMYRP-YNHCFRPBSA-N 420.678 5.554 0 1 HKAF COc1ccc([C@H]2[C@H]3CCCCC3=NN2S(=O)(=O)c2cccc3ccccc23)cc1 43121972 YJCWBGMUNMLUDC-URXFXBBRSA-N 420.534 5.140 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc(S[C@@H](C)C(=O)O)c1O 45290780 KADIXQAVRLWQEJ-LKRGWDPISA-N 418.599 6.004 0 1 HKAF O=C(Nc1cccc(OC(F)F)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1 66076473 CSZJMIWRCUIPRP-UHFFFAOYSA-N 400.347 5.159 0 1 HKAF Fc1ccc(CSc2nnc(-c3ccc4c(c3)OCCO4)n2-c2ccccc2)cc1 72118425 FCISWJUZMIZCQM-UHFFFAOYSA-N 419.481 5.137 0 1 HKAF O=C(Nc1ccccc1)c1cccc(Oc2cncc(NC3CCCCCC3)n2)c1 82068642 MOLPQORGEVSATH-UHFFFAOYSA-N 402.498 5.656 0 1 HKAF CCOc1ccc(-n2cnc3cc(NCCCc4ccc(CC)cc4)cnc32)cc1 95593137 VQTSWULCRQZZGQ-UHFFFAOYSA-N 400.526 5.426 0 1 HKAF CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)csc21 95593566 HRLKLBHUUARAHR-UHFFFAOYSA-N 412.599 5.260 0 1 HKAF COC1=CC(c2ccc[nH]2)=N/C1=C/c1ccc(CCCCCCCCCC(C)C)[nH]1 100304762 QWQIDJSUNKLTOG-XIEYBQDHSA-N 407.602 7.036 0 1 HKAF in-vitro CCN1C=CCC(C(=O)O[C@H]2CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)=C1 102176682 RYXXIGYUYAHCPV-XRKIENNPSA-N 407.554 5.283 0 1 HKAF CC1=C(CC/C(C)=C/CCC2=CC[C@H]([C@H]3COC(=O)C3)OC2=O)C(C)(C)CCC1 141571870 RRCWZZNUUYHHOI-GOQBNCRASA-N 400.559 5.825 0 1 HKAF [C-]#[N+]c1ccc(-c2nnc([C@H](Nc3ccc([N+]#[C-])c(Cl)c3C=C)[C@H](C)O)o2)cc1 143536524 AUIDAXLHTYOMCV-HXPMCKFVSA-N 405.845 5.669 0 1 HKAF Cc1c(F)cc(NC(=O)C2CCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 144326013 RGWFWYOEZNZTNQ-UHFFFAOYSA-N 417.484 5.436 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)CCCCSc1nc2ccccc2[nH]1 144527195 DFGXNACATNLXBD-UHFFFAOYSA-N 409.599 6.711 0 1 HKAF O=C(OC[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1cccs1)c1ccc2ccccc2c1 169359629 HKCXATAGMOKJIB-HKBBJULASA-N 415.558 5.624 0 1 HKAF O[C@H](COc1cccc(-c2csc3ccccc23)c1)CN1CCc2ccccc2C1 219727583 YDCVKPYWYMUMJL-QFIPXVFZSA-N 415.558 5.366 0 1 HKAF CC(C)[C@H]1C[C@@H](O)[C@H]2[C@]3(C)CC=C4C(=CC[C@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@]12C 255219677 IKBSUPYQHIJKAQ-ORHVTZAJSA-N 424.713 7.945 0 1 HKAF CC[C@H](CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 256442052 LGJMUZUPVCAVPU-GZDVJKJLSA-N 416.734 8.105 0 1 HKAF Cc1cc(OCCCc2c(C(=O)O)n3c4c(cccc24)SCC3)cc(C)c1Cl 299852140 NZEFYOHVASXLPS-UHFFFAOYSA-N 415.942 5.727 0 1 HKAF COc1cccc(-c2ccc(CNC(=O)[C@@H]3CC34CCCCC4)c3cnccc23)c1 584649065 XJEGKCQCXDJWIP-DEOSSOPVSA-N 400.522 5.497 0 1 HKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cccc(C(=O)O)c2[nH]1 586983058 VHMZZXIYXASUQY-AWEZNQCLSA-N 401.304 5.396 0 1 HKAF CC1(C)C(=O)Nc2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc21 586990545 YTEZYRVNZNNLLU-UHFFFAOYSA-N 406.441 5.049 0 1 HKAF CCCCCOc1cc2nc(-c3ccc(Cl)cc3NC)[nH]c2cc1Br 587067025 KVBPALIASGPZPL-UHFFFAOYSA-N 422.754 6.257 0 1 HKAF Clc1cccc(COc2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2)c1 587072558 YSGIEJJBUPHFJF-UHFFFAOYSA-N 403.696 6.769 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc3cn[nH]c3cc2[nH]1 587086358 HHYXAEUHVOTSCT-SREVYHEPSA-N 423.307 5.470 0 1 HKAF Cc1ccc2c3c(cc(-c4cccc(O[C@@H](C)C(=O)O)c4)nc13)-c1ccccc1C2=O 587096627 MDHJNGDVWWDJBZ-HNNXBMFYSA-N 409.441 5.274 0 1 HKAF Cc1nn(-c2ccccc2)c(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105100 OIWXEDPLHXHHDE-UHFFFAOYSA-N 401.469 5.916 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1F 587148585 CKNWKLXNKBQCBE-IBGZPJMESA-N 404.338 6.028 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 587233189 KAPDVDADWBBSPE-CMPLNLGQSA-N 414.731 5.140 0 1 HKAF C[C@@]1(c2cc(F)cc(F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334007 OUCNTHZUWAJRRT-UGKGYDQZSA-N 402.343 5.223 0 1 HKAF Cc1cccnc1[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587335581 HQOCSRDIYHSTRH-KXVHNFKESA-N 417.480 5.690 0 1 HKAF CCCC[C@@]1(c2ncccc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342062 YLFUQNMVMXQXPG-WIOPSUGQSA-N 405.469 5.679 0 1 HKAF COc1cc(Cl)ccc1-c1cccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587377050 GJQOBYXTRMSGFJ-DEOSSOPVSA-N 407.897 5.787 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc4ccccc4c3)nc3ccccn13)O2 587393775 MDKJHVUBYSKUPW-QHCPKHFHSA-N 419.484 5.752 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(Cl)c(C)cc1O)[C@@H](C2)C3=O 587422005 ORVKKBAYTJLCMT-UUOWRZLLSA-N 406.865 5.054 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H]1O[C@@H]1c1ccccc1)CC2=O 587491103 NCXMQXPZFDXNLD-LGPLSSKUSA-N 400.474 5.346 0 1 HKAF COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587505872 WAXWQTDKWBQZII-NRFANRHFSA-N 401.300 5.217 0 1 HKAF Cc1ccc(C)c(-n2ncc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)c1 587517407 MSPQTXRHJRWFEM-SANMLTNESA-N 400.522 5.557 0 1 HKAF C[C@H](c1ccc(C(F)(F)F)cc1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550394 VEPNHARISWGJLC-NHLCRCCNSA-N 414.379 5.545 0 1 HKAF C[C@]1(c2c(F)cc(Cl)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555177 FRFDIZHGXQRJLR-WIYYLYMNSA-N 402.780 5.201 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2)cc1F 587556020 UICQMMKKPJQXRD-JYFHCDHNSA-N 412.416 5.901 0 1 HKAF CC(C)(C)c1ccc(CC[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587603148 MXAGMDYHLZZSPE-GGAORHGYSA-N 402.490 5.653 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CC1(CCCC1)Oc1ccccc12 587610898 RBGOLQKLHVVSAT-GJZUVCINSA-N 414.457 5.345 0 1 HKAF COc1ccc(-c2[nH]c3cccc(F)c3c2-c2ccc(C)cc2)c(Br)c1 587633016 WDFIJGJBMNLYHL-UHFFFAOYSA-N 410.286 6.721 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(CC(=O)OC)c2c1 587637891 BAQZQDFPZUDYNY-CYBMUJFWSA-N 400.316 5.826 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H]2c2ccc(Cl)cc2)N1 587697064 LGQSAAISOXWRSH-RRBXVBTKSA-N 408.742 5.939 0 1 HKAF CC[C@]1(c2cccc(Cl)c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587726214 WDNZKHYUNOQQFJ-XTZNXHDOSA-N 400.694 5.569 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C=O)cc3)cc2)N1 587823901 SIEJWGLRRHGLTR-PSLXWICFSA-N 424.313 5.691 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc(C=O)sc3s2)N1 587856494 IEKCKDULKOJKDN-ZKANADHPSA-N 410.333 5.301 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1ccc(C)c(C)c1 587863612 DZHLNBDMNOKBDA-UHFFFAOYSA-N 405.445 5.439 0 1 HKAF CC(C)Oc1ccc(OC(C)C)n1-c1nn(COc2ccccc2F)cc1Cl 587945617 LOQFAVNNXLGHES-UHFFFAOYSA-N 407.873 5.077 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc(/C=C(/C)CCC=C(C)C)[nH]c4c3)o2)cc1 587966695 DXBYRKRISVWNEJ-VKAVYKQESA-N 414.509 6.438 0 1 HKAF CCOC(OCC)c1ccc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)cc1 961617176 UFZGGHIAZUUJBG-FQEVSTJZSA-N 416.359 5.288 0 1 HKAF COc1ccc2c(c1)[C@](C)(c1ccc(Br)cc1Cl)N(C(C)C)CC2 962085922 BBQDIGPTOHJVLK-FQEVSTJZSA-N 408.767 5.641 0 1 HKAF COc1ccc2c(c1)[C@@]1(C[C@@H]3CCC[C@H](C1)N3C(=O)OC(C)(C)C)N(C(C)C)CC2 962091296 NLFSWUVUOGZWMH-NXKWYNOOSA-N 414.590 5.109 0 1 HKAF CC(C)(C)OC(=O)N1CCCC[C@]2(CC1)NCCc1cccc(-c3ccccc3)c12 962659054 AJOFSJDEMJQBQX-AREMUKBSSA-N 406.570 5.506 0 1 HKAF CSc1ccc([C@@]2(CCCCC(=O)O)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963087634 DHRCVTBKIIVBDM-CYFREDJKSA-N 413.558 5.457 0 1 HKAF CCN(CC)c1ccc2cc([C@@]3(C)c4ccc(F)cc4C[C@@H]4CCCN43)c(=O)oc2c1 963111791 RJIADAUTBRUFIP-HFZDXXHNSA-N 420.528 5.062 0 1 HKAF Cc1cc(-c2nc(-c3ccc(Cl)c(C(F)(F)F)c3)n3c2CCOCC3)cc(C)n1 1772573365 BHFRZNUWOWEKSC-UHFFFAOYSA-N 421.850 5.474 0 1 HKAF Oc1cccc(-c2cc(-c3cccc(C(F)(F)F)c3)nc3c2Cc2ccc(O)cc2-3)c1 1857546739 WXMAFPSEZZOGBK-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1 1857565533 BMJSFVWDFBAWEB-UHFFFAOYSA-N 422.440 5.676 0 1 HKAF CC=Cc1cc([C@H]2CC(=O)c3ccc(O)c(CC=C(C)C)c3O2)ccc1OC(C)C 2356328903 LOMFVXOLTBGKBK-RUZDIDTESA-N 406.522 6.428 0 1 HKAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(CC[C@H](Cc6ccccc6)C5)[C@@]3(C)[C@@]4(C)[C@]21O 2356370223 NOASNVCWMDMJSW-GTRWZROWSA-N 408.582 5.290 0 1 HKAF CC1(C)[C@H]2CC=C3[C@@H](CC[C@]4(C)[C@H]([C@@H]5CCC(=O)O5)CC[C@]34C)[C@@]2(C)CC[C@H]1O 2356564529 SGQMUBHNHIZPSY-FVQISWPKSA-N 400.603 5.658 0 1 HKAF CC1=CCC[C@](C)(CC[C@]2(C)C(C)=CCC[C@@H]2C)O[C@@H]1[C@H](O)c1cc(O)ccc1O 2356631044 NSUMOOGGTKRLQO-VBZRGDGWSA-N 414.586 6.178 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CC[C@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@@H]21 2356782316 DPSRVOWVSJLMOX-ZEZQGNGESA-N 423.649 5.798 0 1 HKAF CC1=C(Cc2c(O)cc(C)oc2=O)[C@]2(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@]3(C)[C@H]2CC1 2356798419 PGQIYFXKLHRAJW-KWLALQDESA-N 414.586 5.526 0 1 HKAF Cc1cc2nc(-c3ccc(F)cc3)c(CC3CCCCC3)n2c(C)c1Br 95569101 VDBYGGCQSYWMCK-UHFFFAOYSA-N 415.350 6.643 0 3 HKAF O=C(NC1CCCCC1)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F 2482420 UWCZABYINMNGOI-UHFFFAOYSA-N 416.855 6.003 0 1 HKAF Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)[C@@H](C)C3)cc2)c1-c1ccccc1 3962678 IJXRJXMYHWPNMW-FQEVSTJZSA-N 422.576 6.094 0 1 HKAF Cc1cc(NCCCCCCCNc2cc(C)nc3ccccc23)c2ccccc2n1 14947239 XBNIRTMPVHZLQN-UHFFFAOYSA-N 412.581 6.874 0 1 HKAF CC[C@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4ccccc4F)oc3C)ccc21 28566074 HPTWYTJROHXJTH-AZUAARDMSA-N 423.484 5.551 0 1 HKAF CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N(C)c1ccccc1 29054514 BGVMOAYPPKYPSF-XMMPIXPASA-N 400.566 6.396 0 1 HKAF CC(=O)OC[C@@H](O)COC(=O)C[C@H](C)CCC1=C(C)CC[C@@H]2C(C)(C)CCC[C@@]12C 34467022 BFUQQIDOPSTXTF-KJFBJOSPSA-N 422.606 5.203 0 1 HKAF N[C@H]1CC[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 34661427 OGWFIIQUFKCEMC-RBUKOAKNSA-N 417.393 5.690 0 1 HKAF O=C(Nc1c(F)cccc1F)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)s1 35796481 ZYPDOLOIVUQBHA-UHFFFAOYSA-N 417.786 6.618 0 1 HKAF COc1cc(N[C@H](C)CCCN)c2ncccc2c1Oc1ccc(Cl)cc1Cl 40465075 WPTUGKUKJSFAAM-CYBMUJFWSA-N 420.340 5.882 0 1 HKAF CC(C)=CC[C@H]1Cc2c(cc(O)c3c2O[C@@H](c2ccc(O)cc2O)CC3=O)OC1(C)C 59777491 CYGYKDZFDJECKM-LHSJRXKWSA-N 424.493 5.196 0 1 HKAF biogenic O[C@@H]1CN(CCCCc2ccccc2)CCc2cc(OCc3ccccc3)ccc21 64559247 IVXXSCFPBJLDFZ-HHHXNRCGSA-N 401.550 5.180 0 1 HKAF Cc1ccc(-c2nnc(-c3cccnc3)n2Nc2nc3ccc(Cl)cc3s2)cc1 64564934 VPZQJZVRNUVRSJ-UHFFFAOYSA-N 418.913 5.454 0 1 HKAF CCCNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF 71329407 QXVVBMMIVRLWQN-XTQVGHSUSA-N 401.595 5.536 0 1 HKAF NC(=O)c1ccccc1Nc1cc(Oc2cccc(Cl)c2)ncc1C(F)(F)F 73169377 OCHCLSOFYOZAEG-UHFFFAOYSA-N 407.779 5.389 0 1 HKAF c1ccc(Oc2cccc(-c3ccc4nnc(-c5ccc6nccnc6c5)n4c3)c2)cc1 82082286 GRRNWOPZAWHYIP-UHFFFAOYSA-N 415.456 5.799 0 1 HKAF CC(C)CN(CC(C)C)C(=O)c1cnc(NCC2CCCCC2)nc1-c1ccccc1 82133791 QLRPVTNJAGQXRH-UHFFFAOYSA-N 422.617 5.890 0 1 HKAF CCc1cnc(-c2cnc(NCCc3ccccc3F)nc2-c2ccccc2)s1 82163209 LEEGXHMGQJGPAN-UHFFFAOYSA-N 404.514 5.623 0 1 HKAF O=C(Nc1cc(Cl)cc2c1[nH]c1cnc(NCc3ccccc3)cc12)C(F)(F)F 95556593 DAJRPUVKTDMHMF-UHFFFAOYSA-N 418.806 5.482 0 1 HKAF Cc1ccc([C@@H]2N=C(N3N=C(c4ccccc4)C[C@H]3c3c(F)cccc3F)S2)cc1 98082625 ZTICLBINCVAKSL-JTHBVZDNSA-N 419.500 6.226 0 1 HKAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cccc(C)c2)C2=C(O)CC(C)(C)CC2=N1 104076792 YMQDINDVZRLLJG-GCJKJVERSA-N 409.526 5.162 0 1 HKAF Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(CCN(C)C)cc3)cc12 114715267 YWNDYELINWISEL-UHFFFAOYSA-N 410.587 5.268 0 1 HKAF CC(C)=CC[C@H]1C(=O)c2c(O)cc3c(c2O[C@@H]1c1ccc(O)cc1O)C=CC(C)(C)O3 138700086 QSQBJRRFAIOANT-GAJHUEQPSA-N 422.477 5.277 0 1 HKAF O=C(N[C@H]1CCc2ccc(O)cc2[C@H]1Cc1ccc(Cl)cc1)OCc1ccccc1 140472808 VPUSKBZBCKVJSQ-RPWUZVMVSA-N 421.924 5.613 0 1 HKAF Clc1ccc(C2=CCOCC2)c(O[C@H]2C[C@H](Nc3nc4ccccc4s3)C2)n1 146109665 XPRMRYWRDCTTSY-GASCZTMLSA-N 413.930 5.170 0 1 HKAF Cc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2nc(O)cs2)cc1 169726308 LQKQOMSUBIBLAG-QGZVFWFLSA-N 414.328 5.275 0 1 HKAF O=C1Nc2ccc(-c3csc(-c4ccccc4)n3)cc2/C1=C/c1[nH]cc2ccccc12 221765882 YAPWRUZWFDHYHM-BKUYFWCQSA-N 419.509 6.451 0 1 HKAF CCCCCCC(C)(C)/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCO 231934753 OSHWPCDXHKYMLM-INOUCWAESA-N 403.651 6.657 0 1 HKAF Clc1ccc([C@@H]2C[C@@]3(N4CCCC4)CCN[C@H]2[C@@H](c2ccc(Cl)cc2)C3)cc1 253883820 PDEIXHJAKUQXOA-NVPYSNMXSA-N 415.408 5.851 0 1 HKAF Cc1cc2c(cc1C)C(Cl)=C(c1nnc(-c3cccc(C(F)(F)F)c3)o1)CCC2 299868941 STQPBLAZNUFLOQ-UHFFFAOYSA-N 418.846 6.816 0 1 HKAF COc1ccc(-n2cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cn2)cc1 586986475 BFPYGNKBXPFNHM-UHFFFAOYSA-N 419.440 5.013 0 1 HKAF O=C1c2ccccc2-c2cc([C@@H]3CCN(Cc4ccccc4)C3)nc3ccc(O)c1c23 586988138 LWIMTIQDLIARDV-GOSISDBHSA-N 406.485 5.141 0 1 HKAF NC(=O)c1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587070368 IBUMYDBPMWYCPT-IZZDOVSWSA-N 403.869 5.065 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(S)nc(S)nc2[nH]1 587072762 WKMMGYFJGNXOCN-CKRBCLJCSA-N 423.394 5.603 0 1 HKAF CC(C)Oc1cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1Br 587079336 CSVIHQBWBXMERJ-KRWDZBQOSA-N 407.695 5.442 0 1 HKAF FC(F)(F)c1cnc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c1 587080944 IAOWXZKQVSSMJM-UHFFFAOYSA-N 414.778 5.007 0 1 HKAF CC(C)=CCOc1ccc(CCc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587108201 WZNSTLRLUBYHOI-UHFFFAOYSA-N 419.524 6.576 0 1 HKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587113103 KBBWMIVZPPUOAS-MRVPVSSYSA-N 419.191 5.969 0 1 HKAF FC(F)(F)Oc1ccc2c(-c3nc4c(Cl)cc(C(F)(F)F)cc4[nH]3)n[nH]c2c1 587127544 WMQWNJAWGWZGKM-UHFFFAOYSA-N 420.700 5.677 0 1 HKAF Cc1cc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145022 QREXRDJQASOSKA-UHFFFAOYSA-N 416.239 5.744 0 1 HKAF CCCc1nc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)nn1-c1ccccc1F 587155966 JSYVKVLJEKHZBK-UHFFFAOYSA-N 423.801 5.574 0 1 HKAF CC[C@H](C)n1ncc(I)c1-c1nc2c(C(C)(C)C)cccc2[nH]1 587180190 DXFHMWMBJURLMV-NSHDSACASA-N 422.314 5.300 0 1 HKAF CC(C)(C)c1cccc2nc(-c3cc(I)ccc3Cl)[nH]c12 587182800 NLLBZLNIZPKCFD-UHFFFAOYSA-N 410.686 5.785 0 1 HKAF O=C(O)Cc1c(-c2ccc3c(c2)CCCC3)nc2cccc3c2c1-c1ccccc1C3=O 587208005 ZXEMDENULQRELT-UHFFFAOYSA-N 419.480 5.619 0 1 HKAF CCCCOc1cc2nc(-c3ccc4ccccc4c3N)[nH]c2cc1Br 587253525 BNKIBXPUFZVNOZ-UHFFFAOYSA-N 410.315 5.907 0 1 HKAF CC[C@]1(C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326752 CSNYQGVURPXZQL-WBVHZDCISA-N 404.306 5.237 0 1 HKAF C[C@@]1(c2ccccc2CCCCF)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333923 OEIOUVROTCUALW-AHWVRZQESA-N 422.471 6.098 0 1 HKAF COc1cccc(-c2c(Cc3ccc(OC)c(F)c3)cnc3c2oc2ccccc23)c1 587360254 NBFMQTNLKAHGKN-UHFFFAOYSA-N 413.448 6.395 0 1 HKAF COc1cccc(-c2c(C)c(C34CC5CC(CC(C5)C3)C4)nc3c2oc2ccccc23)c1 587366063 PUYRGQDIOPNBLB-UHFFFAOYSA-N 423.556 7.433 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cccs1)([C@@H]1O[C@H]1c1ccccc1)CC2=O 587492874 CYKZFSOVUCVLFB-QPTUXGOLSA-N 406.503 5.407 0 1 HKAF O=C1C[C@H](c2ccc(OCc3cccc(Cl)c3)cc2)Oc2c1ccc1c2CCCC1 587500630 MQJOQWNFJAMKEQ-RUZDIDTESA-N 418.920 6.504 0 1 HKAF O=C1C[C@H](c2nn(Cc3ccccc3)c3ccccc23)Oc2c1ccc1c2CCCC1 587514498 GIWUUURJOGAVMA-RUZDIDTESA-N 408.501 5.670 0 1 HKAF COC(=O)c1sc2ncc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1C 587537813 KNQRJNFKZUSVJH-DEOSSOPVSA-N 421.518 5.151 0 1 HKAF CCc1ccc2oc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1 587619808 ZLCLYHVLMDCQNA-DHLKQENFSA-N 400.430 5.578 0 1 HKAF COC(=O)Cc1c(-c2ccccc2N)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627825 KDVKVMZFAAHMFJ-UHFFFAOYSA-N 416.321 5.170 0 1 HKAF Cc1cc2c(c(C)c1Cl)[C@]1(CCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587693574 DWXVRQBJIFOWBA-YBTHPKLGSA-N 424.741 5.419 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)[nH]c3ccccc23)N1 587702114 CZZDPJBYJYWCEE-OVWNDWIMSA-N 407.714 5.521 0 1 HKAF CC(C)[C@]1(CCc2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587703721 ZKSCVVQPUHMUAG-QKKBWIMNSA-N 424.785 6.260 0 1 HKAF Fc1cnc2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc2c1 587783009 VLFSFJBNMHMQRG-UHFFFAOYSA-N 409.464 5.934 0 1 HKAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC(C)C)c1 587792770 MRIUWMCPLWIZFG-ODXCJYRJSA-N 408.311 5.008 0 1 HKAF COc1ccc([C@]2(C(C)(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587808422 NUPXEWVQBZMDKZ-ASSNKEHSSA-N 406.339 5.421 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](OCc3ccccc3)C2(C)C)N1 587813291 UEROWOVWCPKLSZ-ZFGLAFRWSA-N 418.350 5.333 0 1 HKAF Cc1ccc(-c2csc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)cc1 587851171 BELANEIIMYPHQC-HXPMCKFVSA-N 417.347 5.644 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3cccs3)cs2)N1 587852475 LIYUSCPWSRCNNQ-YPMLDQLKSA-N 408.361 6.002 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C(F)(F)F)cc(Cl)n1 587861351 SESSYMUYQGGQGV-UHFFFAOYSA-N 421.728 5.634 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c2C)c(OC)c1 587930194 QUQORHQNHUHNID-UHFFFAOYSA-N 412.411 6.241 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1cccc(C2=NC(C)(C)CO2)c1 587934564 ICPRYZDZXKJZKZ-JRGCBEDISA-N 410.558 5.578 0 1 HKAF COc1ccc2c(c1OC)[C@H](c1cc3cc(Cl)ccc3nc1Cl)N(C)[C@@H](C)C2 962639217 VITABROWUMYDSY-YUNKPMOVSA-N 417.336 5.525 0 1 HKAF Fc1ccccc1[C@@]1(Cc2ccccc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962693799 DGSQJFAHYDEBEI-RXFWQSSRSA-N 421.556 5.815 0 1 HKAF CN1CCc2c(Br)cccc2[C@]1(c1ccccc1)c1ccc(Cl)nc1 963280837 PZAMELUFLYSPQT-NRFANRHFSA-N 413.746 5.277 0 1 HKAF Fc1cccc(F)c1-c1c(Cl)nc(Cl)n1-c1ccc(OC(F)(F)F)cc1 1772588232 YKTMELFQBFCHIY-UHFFFAOYSA-N 409.141 6.023 0 1 HKAF COc1ccc(-c2nc(O)c3ccccc3n2)cc1Oc1ccc(Cl)cc1Cl 1772611518 BBSUYBULKPLJLZ-UHFFFAOYSA-N 413.260 6.110 0 1 HKAF O[C@@]1(Cc2ccccc2)CCCCC[C@@]12C=Cc1c(cnn1-c1ccc(F)cc1)C2 1857587263 APXZPYAXPCKNLS-IZZNHLLZSA-N 402.513 5.505 0 1 HKAF CCn1c2ccccc2c2cc(NC(=O)C[C@H](C)CC(=O)Nc3ccccc3)ccc21 1857642305 JXUQRXKBUXOQDP-GOSISDBHSA-N 413.521 5.808 0 1 HKAF C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 2356358430 ZQHLKKFDMULTFL-ZCQLFPNHSA-N 412.614 5.922 0 1 HKAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2[C@H](OC(=O)C(C)C)[C@@H]2C(=O)CC[C@H](C)[C@@]12C 2356446169 ZWZYJBYNCRIMLI-ABNQZFCISA-N 416.514 5.014 0 1 HKAF CC(C)C(C)(C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356629313 ZMJOEKMTLFBAFL-NCPIWMMJSA-N 416.734 8.105 0 1 HKAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCc1ccccc1OC 4295218 KNCZRXAUMCMENE-RTWAWAEBSA-N 400.544 5.087 0 1 HKAF O=C1CCc2ccc(O)c(c2)Oc2ccc(cc2)[C@H](Sc2ccccc2)CCO1 5822857 WKQOKEONSAJJTJ-HSZRJFAPSA-N 406.503 5.897 0 1 HKAF Brc1ccc([C@H]2[C@H]3CSc4ccccc4C3=NN2c2ccccc2)cc1 6041571 AFHSHLMTBPFEII-UGKGYDQZSA-N 421.363 6.137 0 1 HKAF CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)Cn1c(-c2ccccc2)[n+](C)c2ccccc21 12524097 XKNDOQYVKIKTTR-LEEZEASISA-N 405.562 5.137 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)n1ccc2ccccc21 13761794 ZKJLGJLBCWOCRC-RFFLMJFYSA-N 416.565 5.195 0 1 HKAF c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C4(Cc5ccccc5C4)N3)n2)cc1 13863918 CCNRQAJHYLJWSR-XMMPIXPASA-N 416.528 5.439 0 1 HKAF CCCc1c(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)ccc2c1ccn2C 14977262 IJQXLXIHFZMCIG-IBGZPJMESA-N 421.537 5.483 0 1 HKAF FC(F)(F)c1cnc(Nc2ccc3[nH]ccc3c2)nc1Nc1ccc2[nH]ccc2c1 28522981 QDYUKNSNGMOXTI-UHFFFAOYSA-N 408.387 5.945 0 1 HKAF COC(=O)c1ccc(-c2cnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)cn1 29136206 UTWDGRQHDOERLC-UHFFFAOYSA-N 412.445 5.006 0 1 HKAF Clc1ccc2c(NCCCCNc3cc(Cl)cc4ncccc34)ccnc2c1 29215229 UAUADRSZVFRDSO-UHFFFAOYSA-N 411.336 6.394 0 1 HKAF Cc1cc(NC(=O)C(=O)O)cc(C)c1Oc1ccc(O)c(-c2cccc(Cl)c2)c1 29399890 QBHSVERNSNJTOY-UHFFFAOYSA-N 411.841 5.145 0 1 HKAF CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H]5CCCC(C)(C)[C@@]5(C)CC[C@]4(C)C3=CC[C@@H]12 34475433 NINOWLHIYZJIFS-QDTJLPTPSA-N 424.713 8.377 0 1 HKAF Cn1c(-c2ccccc2OC(F)(F)F)nnc1C1(c2ccc(Cl)cc2)CCC1 40955656 JGPTYPUUBLBVQQ-UHFFFAOYSA-N 407.823 5.504 0 1 HKAF CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(OCc2ccccc2)cc1 43062351 UPSWDUIISSYJJJ-DEOSSOPVSA-N 404.897 5.617 0 1 HKAF Cc1cccc2nc(-c3ccc(-c4cccc(NC(=O)Nc5ccsc5)c4)cc3)[nH]c12 45209953 TZDTWCDHIZKUOZ-UHFFFAOYSA-N 424.529 6.911 0 1 HKAF CCCCCCN1CCCN(Cc2ccc(C(=O)Nc3ccc(CC)cc3)cc2)CC1 45322602 GSBGNBISSVHYOK-UHFFFAOYSA-N 421.629 5.589 0 1 HKAF CC(c1ccccc1)(c1ccccc1)c1nc(-c2ccc(F)cc2)c(CC(=O)O)s1 49111473 NKUNQYZWFFFZEA-UHFFFAOYSA-N 417.505 5.931 0 1 HKAF COc1ccc(CNc2ccc(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)cc2)cc1OC 64549677 LPLYQFGBWIHNGM-FGZHOGPDSA-N 421.924 5.956 0 1 HKAF CCN(c1nc(NCc2ccco2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 82066448 OAVQQBHIIDDGEN-UHFFFAOYSA-N 423.517 5.037 0 1 HKAF Cc1cccc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2-c2nc3ccccc3s2)c1 82173399 PIOUOJBMHRVRGN-QZTJIDSGSA-N 414.578 6.211 0 1 HKAF COc1ccc([C@@H]2C(c3ccc(C)cc3)=NO[C@]23SCc2ccccc2C3=O)cc1 103188460 RMOQKPHNVXRNEZ-RDGATRHJSA-N 415.514 5.348 0 1 HKAF CC(C)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 139051786 CEEWEUZUOUXMSR-OAQYLSRUSA-N 424.566 5.767 0 1 HKAF CN(Cc1cccc(CNc2ccnc3cc(Cl)ccc23)c1)Cc1ccccn1 208201895 HNOYNCXOTWKIOQ-UHFFFAOYSA-N 402.929 5.527 0 1 HKAF Nc1cnc(-c2ccc(C3CCC3)c(OCc3cc(Cl)ccc3Cl)c2F)cn1 212116280 PFYMIQDLFVBUJF-UHFFFAOYSA-N 418.299 6.018 0 1 HKAF Cc1cccc(Cc2ccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)cc2)c1 216051913 UBSORMUUPHCAMF-UHFFFAOYSA-N 402.925 5.693 0 1 HKAF CN1[C@H]2CC[C@H]1[C@@H](C(=O)OCc1ccccc1)[C@@H](c1ccc(Cl)c(Cl)c1)C2 253756835 QFEVQBUJEXGMJH-JWWGGVBKSA-N 404.337 5.303 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 257378780 AOQRDALGACAKHI-YNZTXCSSSA-N 414.718 7.881 0 1 HKAF endogenous,in-man Cc1cc(Br)c2c(c1)[C@@H]1CCN[C@@H](Cc3cccc4ccccc34)[C@@H]1N2 299809740 SXUYSGJPFRBFEI-AVCGJXAMSA-N 407.355 5.393 0 1 HKAF COc1ccc(-c2nc(CSCc3cccc(Cl)c3)nc3ccsc23)cn1 299838855 RHKNYLSKSAGUOS-UHFFFAOYSA-N 413.955 5.849 0 1 HKAF COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2=O 473132455 STCNCIGJHHIFOF-UHFFFAOYSA-N 416.502 5.007 0 1 HKAF CCCOc1cc2[nH]c(-c3oc4c(c3C)[C@H](O)CCC4)nc2cc1Br 586905132 HHDNGEKXUIBNJO-CQSZACIVSA-N 405.292 5.052 0 1 HKAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586915622 GEINQNFTBOXFHC-YJYMSZOUSA-N 408.807 5.452 0 1 HKAF COc1cc(/C=C\c2nc3ccc(Br)c(C)c3[nH]2)ccc1Br 586975342 APAKLSBNTWMZEU-YWEYNIOJSA-N 422.120 5.575 0 1 HKAF Brc1ccc([C@H](c2nc3ccc4ncccc4c3[nH]2)N2CCCC2)cc1 586984352 JQJQXPFLVPBBSQ-HXUWFJFHSA-N 407.315 5.059 0 1 HKAF Cc1ccc2c3c(cc(-c4c(F)cccc4Br)nc13)-c1ccccc1C2=O 586996067 PEMKMGFUQXKNDB-UHFFFAOYSA-N 418.265 6.323 0 1 HKAF Clc1ncnc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc12 586997815 DWQSRUYZPHOLHL-VURMDHGXSA-N 401.651 5.199 0 1 HKAF C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccnc(O)c2[nH]1 587057500 XXTJWJAZFDDPNE-LLVKDONJSA-N 416.264 5.903 0 1 HKAF Fc1ccc(/C=C\c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(F)c1 587147663 AJKFZZISEIJOFP-RQOWECAXSA-N 419.147 5.673 0 1 HKAF O=C1c2ccc(O)cc2OC(c2cccs2)(c2cccs2)[C@H]1c1ccc(F)cc1 587372016 DSBDYDWFDYPELC-NRFANRHFSA-N 422.502 5.957 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1c(N)sc3c1CCC3)O2 587415749 WNAULBVKUOWRRS-QHCPKHFHSA-N 424.953 5.272 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1OCc1ccc(F)cc1)[C@@H](C2)C3=O 587427506 IHXFQAVEWUAHMY-YADARESESA-N 424.855 5.555 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(=O)OC)cc3)s1)CC2=O 587492308 BVOGEJKWKZUNGN-HXUWFJFHSA-N 422.502 5.566 0 1 HKAF O=C1C[C@@](c2ccccc2)(c2ccc(Cl)cc2O)Oc2c1ccc1c2CCCC1 587499442 JDMHCEGMSNIVTF-RUZDIDTESA-N 404.893 5.833 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512571 YSQPIMDICYUMJU-GMAHTHKFSA-N 421.537 5.035 0 1 HKAF Cc1noc(C)c1COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587528337 XKWQNXBLNRMNNP-DEOSSOPVSA-N 403.478 5.456 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)cc1Cl 587550656 VUOJDYRQCYOJGQ-XLIONFOSSA-N 420.770 5.767 0 1 HKAF CC[C@]1(c2ccc([C@H](C)OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592397 GWPWQUGEWPWTRT-ZYBREQRGSA-N 404.462 5.367 0 1 HKAF CCO[C@H](C)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587592847 HQIHFSGNMBEPJP-QOFFVNHYSA-N 404.462 5.367 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3cnn(-c4ccccc4)c3C)c(C(=O)C(=O)OC)c2c1 587641456 FZSYVMUHZUXJBN-HNNXBMFYSA-N 415.493 5.198 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccccc3)[nH]c2Cl)N1 587701952 WYUNLBDLQREZPT-HWPZZCPQSA-N 420.713 5.255 0 1 HKAF Cc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587708808 DSFOIVUBKFNDQI-GLEZIHRCSA-N 408.258 5.298 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(C(F)(F)F)c2)N1 587712059 NJBHWQJSQDBUFO-XYZCENFISA-N 418.228 5.110 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(OC3CCC3)c2)N1 587715055 GVOBOPKOWYRUKV-PRWKNARSSA-N 408.286 5.282 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCSc3cc(F)c(F)cc32)N1 587736378 VTURGKYSFMMIHP-YYSFKGJASA-N 414.290 5.140 0 1 HKAF CCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587791294 HFNBVFRDVQKPOI-ODXCJYRJSA-N 408.311 5.009 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)CCC(C)(C)O3)N1 587830867 GHDLORKESFSIAF-FKIZINRSSA-N 404.323 5.315 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([C@@H]3CCCCO3)s2)N1 587847901 MNEZZFIPTBIGJU-WQBCIRTESA-N 410.352 5.515 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCSc3c(Cl)cccc32)N1 587857097 KCAOSRJYUWIXNZ-MLCYQJTMSA-N 412.755 5.515 0 1 HKAF CCOC(=O)c1ccc(-n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)cc1 587865905 OMUISOLZONRBBW-UHFFFAOYSA-N 404.388 5.134 0 1 HKAF CCC[C@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C(C)C 587955062 FNJDZTBFICEXCX-HNNXBMFYSA-N 405.951 5.557 0 1 HKAF Brc1cccc(-c2nnc(/C=C/c3ccc(-c4ccccc4)s3)o2)c1 653793314 UCZHJZMLBCRITJ-ZRDIBKRKSA-N 409.308 6.398 0 1 HKAF O=C(/C=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)OCCCc1ccccc1 653818641 MJDNTVNNTQPWHL-CMDGGOBGSA-N 418.276 5.362 0 1 HKAF COc1ccc2c(c1)[C@](c1ccc(C)cc1)(c1cccc(Cl)c1)N(C(C)C)CC2 962091244 NJBRCGXUGBKWOW-SANMLTNESA-N 405.969 6.215 0 1 HKAF COc1ccc2c(c1OC)[C@](c1ccccc1)(c1ccc(C)cc1C)N(C)[C@H](C)C2 962622326 BRBMCNSWVFRFOL-HRFSGMKKSA-N 401.550 5.489 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cccc(OC)c1OCc1ccccc1C 963244906 XUBRGQGJTMOALX-KDYSTLNUSA-N 415.577 6.329 0 1 HKAF Clc1cc(Cl)cc(NC[C@@H]2CCCN(c3nc4ccc(Cl)nc4[nH]3)C2)c1 1772605788 FDOSXCQQCNMBJH-NSHDSACASA-N 410.736 5.247 0 1 HKAF CC(=O)N[C@H](C)c1ccc(CN2CCc3c(ccc(OC4CCC4)c3Cl)C2)cc1 1772628557 BPZNTKRMUZENSJ-MRXNPFEDSA-N 412.961 5.027 0 1 HKAF Cc1cccc(Cl)c1-n1cnc2nc(SCc3cccc(F)c3)sc2c1=O 1857593912 LBNGOVCDLOQTBX-UHFFFAOYSA-N 417.918 5.235 0 1 HKAF NC(=O)c1c(F)ccc(N(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)c1F 1857595480 RFRVIGGQNFJALB-UHFFFAOYSA-N 421.274 5.577 0 1 HKAF CCCCN(C)C(=O)CCCCC/C(=C(/C)c1ccc(OC)cc1)c1ccccc1 1911574976 KYNSWRKEJXWIQO-XTCLZLMSSA-N 407.598 6.835 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4CCCC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356285658 DYMJMYRIBWWKMH-IDOZNVNLSA-N 414.718 8.025 0 1 HKAF CC(C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4[C@H](CC[C@@H]5C(C)(C)C(=O)CC[C@]45C)[C@@]3(C)CC[C@@]12C 2356488574 SGRIUEWFBPMBQH-GMDBJHHFSA-N 410.686 7.843 0 1 HKAF C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@H]3CC[C@@H]3C(C)(C)[C@H](O)CC[C@]34C)[C@@H]2[C@@H]1C 2356611661 FECFVGBVIVEEFA-VISMOEBFSA-N 412.702 7.635 0 1 HKAF CC(=O)OC[C@@H](O)COC(=O)C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C 2356669369 YRLGSSSUMSWYFS-XMMPIXPASA-N 420.590 5.599 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)c(-c2cccnc2O)cc1O 2356791221 GMNLYZMBIUXKNI-SJCIARIUSA-N 407.554 6.207 0 1 HKAF CCCCNc1c(-c2ccc(OC)c(SC3CCCCC3)c2)nc2cnccn12 36382306 QWPVUHQESZCRHC-UHFFFAOYSA-N 410.587 6.042 0 3 HKAF O=C(c1ccccc1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1 3815918 XHGVOFUYLQFSIW-UHFFFAOYSA-N 421.544 5.154 0 1 HKAF CCCCN(C)C(=O)CC[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 4392989 YTFBWWVIESDPNF-YWBWYGPRSA-N 413.602 5.018 0 1 HKAF O=C(O)CCCCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 13727291 QQCOPENJHMALCM-UHFFFAOYSA-N 413.473 6.309 0 1 HKAF Cc1cc(C)c(NC(=O)C(C)(C)CCCCCCOCC(C)C)c2c1CC(C)(C)O2 13747626 RQBSIMXUAVWAFW-UHFFFAOYSA-N 417.634 6.605 0 1 HKAF CS(=O)(=O)c1ccc(-c2sc(Br)cc2-c2ccc(F)cc2)cc1 26185411 JVSUFGDPEPHINB-UHFFFAOYSA-N 411.317 5.387 0 1 HKAF CC[C@H]1C=C2NC(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@@H]3[C@H]12 27213543 YBSFMQHCAIWRPP-VXRSWXAHSA-N 413.690 7.348 0 1 HKAF C[C@@H](CO[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O)c1ccccc1 27558464 UBLWJPGPEJEPCL-FYSMJZIKSA-N 404.897 5.276 0 1 HKAF CC[C@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(C4CCCCC4)oc3C)ccc21 28565215 VZZWXAKUDHTJLN-UNMCSNQZSA-N 411.542 5.793 0 1 HKAF CC[C@@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4cccc(C)c4)oc3C)ccc21 28565446 ANZBIERYZKGLBF-GGAORHGYSA-N 419.521 5.721 0 1 HKAF C[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl 28820617 HSLFOYFJYRSLKF-JTQLQIEISA-N 417.745 5.038 0 1 HKAF Cc1ccc(-c2c(C)c(CNC3CCCC3)nn2-c2ncc(Cl)cc2Cl)cn1 40875056 ALMZVCUSOYGRHT-UHFFFAOYSA-N 416.356 5.285 0 1 HKAF O=C(Nc1ccc(OC2CCN(Cc3ccccc3)CC2)c(Cl)c1)c1ccco1 45322291 KHVABZJGTBZWSP-UHFFFAOYSA-N 410.901 5.229 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 80431001 CSVWWLUMXNHWSU-OYQPQXIVSA-N 414.718 7.881 0 1 HKAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2ccc(F)cc2)C1 82139589 IZVFZJYZIBWFPO-MSOLQXFVSA-N 412.553 5.026 0 1 HKAF CC[C@H](C)NC(=O)c1cnc(N[C@H](C)CC)nc1-c1ccc(-c2ccccc2)cc1 82154169 WFMGIIWYZNPQFL-ZWKOTPCHSA-N 402.542 5.549 0 1 HKAF O=C(Nc1ccccc1F)N1CCc2sccc2[C@@H]1c1ccc(C(F)(F)F)cc1 84654141 VZHKEZUUXGWVSZ-IBGZPJMESA-N 420.431 6.086 0 1 HKAF Cc1cn(-c2ccc(Nc3cccc4c3nc(-c3ccc(F)cc3)n4C)cc2F)cn1 95579273 XFFCCMXGPAYYCB-UHFFFAOYSA-N 415.447 5.756 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 96014903 KZJWDPNRJALLNS-SCSMPKKZSA-N 414.718 8.025 0 1 HKAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H](CCc3ccoc3)[C@@H](/C=C/C(=O)O)CC[C@H]21 96923223 ULWWPUNKSKVCLF-ZCOTVNKDSA-N 412.614 7.128 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(-c4ccc(Cl)s4)s1)CN32 100969912 ULKBAZWILNDSNA-BHAMWFEHSA-N 405.972 5.169 0 1 HKAF C[S@@](=O)/C=C/c1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1 103239556 WPXKQCIXDYJFEN-OMCKQGILSA-N 422.550 5.462 0 1 HKAF CC(C)(O)c1ccccc1-c1ccc2[nH]c(/C=C/c3ccccc3C(F)(F)F)nc2c1 117145331 HZTDHVDOWLGLQH-WYMLVPIESA-N 422.450 6.647 0 1 HKAF FC(F)(F)c1cccc(Nc2ccc(Oc3ncccc3-c3ccncn3)cc2)n1 139330791 QRCOJBWGNFFJTP-UHFFFAOYSA-N 409.371 5.488 0 1 HKAF Cc1ccc([C@H]2CN3CCC[C@H]3c3cc(OCCCN4CCCCC4)ccc32)cc1 140523117 SHAFCOFWNARKDQ-SXOMAYOGSA-N 404.598 5.532 0 1 HKAF [C-]#[N+]c1ccc(N2C(=O)C3(CCC3)N(c3ccccc3C)C2=S)cc1C(F)(F)F 167715613 AJQAYWDOSZZMGP-UHFFFAOYSA-N 415.440 5.625 0 1 HKAF CC(C)c1ccccc1-c1ncc(F)c(NC2(c3ccc(-c4cccnc4)cc3)CC2)n1 169302945 JMNFIHZZWJUPBY-UHFFFAOYSA-N 424.523 6.569 0 1 HKAF C1=C(c2ccc(CCN3Cc4ccccc4C3)cc2)[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 169367156 JLAMKRXQRNZJDJ-JDXGNMNLSA-N 420.600 5.780 0 1 HKAF COc1cc(Cl)c2[nH]c(=O)c3sccc3c2c1-c1ccc(C2(CN)CCC2)cc1 215587872 IVSFDPBTELBDIK-UHFFFAOYSA-N 424.953 5.452 0 1 HKAF CC(C)=CCc1c2c(c(O)c3occ(-c4ccc(O)cc4O)c(=O)c13)C=CC(C)(C)O2 238743912 MOERHLHLFZAAMY-UHFFFAOYSA-N 420.461 5.270 0 1 HKAF Clc1ccc(-c2ccc(-c3nccn3-c3ccc([C@@H]4CCCCN4)cc3)o2)cc1 299823898 AYOKKAGQVOATKD-NRFANRHFSA-N 403.913 6.267 0 1 HKAF CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccn1)c1ccc(-c2ccccc2)cc1 299867615 QJVJBCPIYYANNJ-ZPOKTZCFSA-N 413.565 5.259 0 1 HKAF Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2nc(C)c(C)o2)c1 299875937 DUGTYSSATNEJPV-VVBCARDSSA-N 416.569 6.206 0 1 HKAF Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(F)cc2)oc1C 299884351 SWXXMMLRXFSWGW-TWHMBJNJSA-N 420.532 6.037 0 1 HKAF Cc1ccc(C)c2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc12 587000858 SQOGTIAFPOOBDK-UHFFFAOYSA-N 407.315 5.616 0 1 HKAF CC(C)(C)c1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2n1 587002511 VSUNSWUFBLEDLL-UHFFFAOYSA-N 410.315 5.750 0 1 HKAF CC(C)n1c(-c2nc3nc(Cl)ccc3[nH]2)cc(Br)c1Br 587005136 OSVARVQPOKCRFK-UHFFFAOYSA-N 418.520 5.186 0 1 HKAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587012574 TYGLVINOGTVDON-UHFFFAOYSA-N 407.848 6.258 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587032895 DSJXLGAAQRONEB-GFCCVEGCSA-N 418.444 5.463 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(F)c(F)c(F)c2[nH]1 587035807 ZHFZNHGGYSNWCM-LBPRGKRZSA-N 403.429 5.466 0 1 HKAF FC(F)(F)c1cc(Cc2nc3c(Br)ccnc3[nH]2)cc(C(F)(F)F)c1 587110314 RJNYOMSFQZWEQQ-UHFFFAOYSA-N 424.142 5.349 0 1 HKAF COCCC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330884 GCQFPFIXXPFULG-NOZRDPDXSA-N 424.443 5.351 0 1 HKAF CCO[C@H](C)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587352008 VTZBIOWCFCFUFB-RCQUUQHHSA-N 420.480 5.903 0 1 HKAF COc1ccccc1C1CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587352448 OJCOGLDUFLJIDA-ZIHXIXRQSA-N 404.437 5.215 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3ccc(O)cc32)[C@@H]1c1ccc(F)cc1 587358191 WBUNDPAVXRQFIM-VPUSJEBWSA-N 424.427 5.520 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)Cc2cc(OC)ccc2C3)c1 587363371 SATOSASJOUZDLH-UHFFFAOYSA-N 407.469 6.160 0 1 HKAF O=C1C[C@@H](c2cnn(-c3ccc(Br)cc3)c2)Oc2c1ccc1c2CCCC1 587496047 HJVWVMMPBGUYCE-NRFANRHFSA-N 423.310 5.220 0 1 HKAF O=C1C[C@@H](c2nc3cc(Br)ccc3s2)Oc2c1ccc1c2CCCC1 587535900 PIBNFHQWVLMUPC-KRWDZBQOSA-N 414.324 5.644 0 1 HKAF COc1cc(C)ccc1OCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587563272 BDIRKXPQPASQES-UHFFFAOYSA-N 415.209 5.240 0 1 HKAF Cc1c(F)ccc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n(C)c12 587567348 GQWLUQOPIBABJL-GBXCKJPGSA-N 403.409 5.034 0 1 HKAF C[C@]1(c2ccc(F)cc2N2CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568490 MOXQBBKMXNHFAZ-WIOPSUGQSA-N 419.452 5.009 0 1 HKAF COc1cc(C)c(Cl)c(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587691126 CETMTYYYCASFAU-DGIBIBHMSA-N 412.730 5.491 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC=C(c3ccc(F)cc3)CC2)N1 587733361 LHTVYBNOIBIULD-LRTDBIEQSA-N 404.298 5.724 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccc(F)cc3)s2)N1 587736767 UETDXGJELAPRSZ-YPMLDQLKSA-N 421.310 5.474 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC=C2NNc2ccccc2)N1 587751594 YKDLOKGIIHNUAE-SZNDQCEHSA-N 416.338 5.002 0 1 HKAF CCOC(=O)C[C@@]1(CCCC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587792222 AYXDZRHCWILUIM-VBKZILBWSA-N 414.359 5.097 0 1 HKAF COc1ccc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 587804221 AGKOROYTXPKWKD-QKVFXAPYSA-N 400.291 5.374 0 1 HKAF CCc1cc(CC)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(CC)c1 587818719 IYNIYXIHHHMDMK-XMHCIUCPSA-N 404.367 5.899 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)sc2Cl)N1 587842469 FKYMMSFYBAHTNB-ZIDLFYJRSA-N 409.151 5.754 0 1 HKAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587930969 JASYRLHKNGOHRG-NSYGIPOTSA-N 411.530 6.293 0 1 HKAF C/C(=C/c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C1CCCCC1 587969578 ZTGMMCDLGHYLCR-YFHOEESVSA-N 403.242 6.208 0 1 HKAF COc1cccc([C@H](C)Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(C)n2)c1 653773155 NTAHKXLCXAWVAN-ZDUSSCGKSA-N 403.404 5.532 0 1 HKAF Cn1c(SCc2ccc(Cl)cc2)nnc1-c1sc(-c2ccccc2)cc1N 958021755 BIHZQYWWSHQJKK-UHFFFAOYSA-N 412.971 5.739 0 1 HKAF COc1cc(OC)cc([C@@]2(c3ccccc3Cl)NCCc3ccc(F)c(C)c32)c1 962377484 RLZSWQYOZQBIRB-DEOSSOPVSA-N 411.904 5.242 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCN(Cc3ccccc3)c3ccccc32)N1 962944904 IFQOBNDWYQMDNH-PIKZIKFNSA-N 407.561 5.746 0 1 HKAF CCCCc1ccc([C@@]2(CCC(=O)O)N[C@@H](CC)Cc3c2[nH]c2ccccc32)cc1 962950526 RQPHIOGUCANHON-RXFWQSSRSA-N 404.554 5.543 0 1 HKAF COc1cccc(Cl)c1-c1cc(Cl)cc([C@H](CC(=O)O)c2ncc(C)s2)c1 1772593166 PJQFNQMXWZBTMF-HNNXBMFYSA-N 422.333 6.041 0 1 HKAF O=C(c1cccc2ccccc12)n1nc(OCCCN2CCCCC2)c2ccccc21 1857546295 OXUZUFGQZRDDAF-UHFFFAOYSA-N 413.521 5.133 0 1 HKAF CC1(Oc2ccc(Cl)cc2)CCN(CCOc2ccccc2C(F)(F)F)CC1 1857567064 MLQFCCRYUWOUAD-UHFFFAOYSA-N 413.867 5.671 0 1 HKAF Cc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1n[nH]c(=NC2CCCCC2)o1 1857747859 GIXWYTNQZDAJAD-UHFFFAOYSA-N 416.550 6.002 0 1 HKAF CCOP(=O)(OCC)[C@H](Nc1ccc(F)cc1)c1cc2ccccc2nc1O 1857772775 RMXOOHHUWZGYQH-FQEVSTJZSA-N 404.378 5.456 0 1 HKAF CC1(C)[C@@H](O)CC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@H]2CC[C@H]2[C@H]3[C@H]4CC[C@@]3(CC[C@@]21C)C(=O)O4 2356387697 DUENBZLSJKSMFL-OREAQEPQSA-N 414.630 5.738 0 1 HKAF CC(C)=CC[C@@H](O)C(C)=CCCC(C)=CCC[C@]1(C)CCc2cc(O)cc(C)c2O1 2356463170 RFIIOYJLKCYOCK-XNMGPUDCSA-N 412.614 6.955 0 1 HKAF C[C@@H]1CC[C@@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)NC1 2356528204 UUCQCKZTFQEWEI-HSYPONGVSA-N 415.662 5.209 0 1 HKAF COc1c(CC=C(C)C)c2c(c3oc(=O)cc(-c4ccccc4)c13)C(=O)[C@H](C)[C@H](C)O2 2356531989 DJQOFJYLUOKIRR-CVEARBPZSA-N 418.489 5.577 0 1 HKAF CO[C@H](C=CCCCCCCC=C(Br)Br)[C@@H]1CCCO1 2356552410 PEUQTGHGULKWLT-CABCVRRESA-N 410.190 5.708 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 2356799580 UPEHPQZJYSSSEI-SBVYREMISA-N 418.662 5.618 0 1 HKAF C[C@]1(Oc2ccccc2-c2cc[nH]n2)CCN(Cc2ccc(OC(F)(F)F)cc2)C1 61905812 HPIXCFXWEXEKGL-NRFANRHFSA-N 417.431 5.019 0 3 HKAF C[C@@H](C(=O)OCCCc1ccccc1)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27556792 CTGIXAGBIQLQDR-STZQEDGTSA-N 422.590 6.061 0 1 HKAF CCc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@H]2[C@H](CC)C(=O)O 28563175 KIPPYACIJFQVQP-UNMCSNQZSA-N 419.521 5.666 0 1 HKAF Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@@H]2[C@H](C(=O)O)C1CC1 28563633 OOLVQJBWJFELGB-LADGPHEKSA-N 417.505 5.412 0 1 HKAF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 28758436 MSACRDQFQDDJGO-SUNSNLEWSA-N 406.010 5.616 0 1 HKAF CC[C@@H](c1ccccc1)C(c1ccc(OC(C)=O)cc1)c1ccc(OC(C)=O)cc1 29251588 FIPPGLGGVVLMKL-VWLOTQADSA-N 402.490 5.863 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C)C[C@@H]4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C 36189457 PVJNSDNELNARLT-GNYWTKFVSA-N 413.690 6.950 0 1 HKAF O[C@H]1CCCN(Cc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)s3)cc2)C1 45230625 AQIKCLRUTHNJGE-SFHVURJKSA-N 407.514 5.054 0 1 HKAF Fc1ccccc1-n1nc2c(cnc3ccccc32)c1OCc1ccccc1Cl 66066129 AAFXZNIGLSLXPH-UHFFFAOYSA-N 403.844 5.945 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CCC(F)(F)CC2)C(C)(C)CCC1 72108023 KZKVSRAQSNCSDH-SFZCRTJJSA-N 403.557 6.776 0 1 HKAF O=C(Nc1ccc(-c2ccccc2)cc1)Nc1ccc(-c2ccnc3nc[nH]c23)cc1 73275140 GCLFXARMPHAWHV-UHFFFAOYSA-N 405.461 5.936 0 1 HKAF CCCCNC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccccc1F 82150528 DSANNWJWJIHJHE-UHFFFAOYSA-N 412.896 5.078 0 1 HKAF COc1ccc(Oc2c(Cl)cnn([C@H](C)c3cccc4ccccc34)c2=O)cc1 95598193 QHVNTQKWEYUHDF-OAHLLOKOSA-N 406.869 5.460 0 1 HKAF COC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCCCCC1 96175110 WDGCGKRIKOAWEM-UHFFFAOYSA-N 402.498 5.063 0 1 HKAF O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3ccc(Cl)cc31)c1ccccc1CO2 100641913 JXZPEVIFHGPYHB-DJKKODMXSA-N 416.864 5.412 0 1 HKAF CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc(Cl)cc1 103909609 VSWWSLIMDDFEGI-AWEZNQCLSA-N 401.919 5.408 0 1 HKAF COc1cc(-c2cnc(C)n2C)ccc1Nc1cc2cc(-c3cccnc3)ccc2cn1 207742610 NJQJASPATMIFDV-UHFFFAOYSA-N 421.504 5.758 0 1 HKAF COc1ccc(-c2ccccc2[C@@H]2[C@@H]3C=CCC[C@]3(C)C(=O)N2Cc2ccccc2)cc1 253960999 HSBMVFCIUCQNEN-GKRYNVPLSA-N 423.556 6.418 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)=O 255206765 DMPCQZBAZOKWKU-VTZOAHQMSA-N 414.674 6.958 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC[C@H](C(C)C)[C@@]3(C)CC[C@]12C 255222457 KETZXRQFCKBMKO-KZSVFKSRSA-N 410.730 9.054 0 1 HKAF CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccccc3)c2C)CC1 299867886 QQQQTJUTYTVAOX-UHFFFAOYSA-N 410.558 5.972 0 1 HKAF O=C([C@@H]1C[C@H]1c1ccccc1)N(C[C@@H]1CCCNC1)c1ccc(-c2ccccc2)cc1 299871188 YADANUCSRVPRIW-COFKYPDJSA-N 410.561 5.490 0 1 HKAF O=C(Nc1cccc(Cl)c1)Nc1cc2ncncc2cc1OCc1ccccc1 473153136 ZCBOUUCGIRZFRK-UHFFFAOYSA-N 404.857 5.506 0 1 HKAF O=[S@@](Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)C(c1ccccc1)c1ccccc1 586958153 DJMMCUYRMNSFHC-NDEPHWFRSA-N 416.880 5.533 0 1 HKAF Fc1cc2[nH]c(CCNc3ccc(Br)cc3)nc2cc1C(F)(F)F 586996774 YXLHVIFFZSIGGA-UHFFFAOYSA-N 402.189 5.138 0 1 HKAF Fc1cc(Cl)cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 587001578 NUNIPCAJFHPHTO-UPHRSURJSA-N 409.642 5.060 0 1 HKAF Cc1nc(C2CC2)sc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587012105 OEHVZZRVAOZJAB-UHFFFAOYSA-N 402.239 5.654 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Cl)c(F)cc2[nH]1 587069068 BSEMJFIKPUVNRR-PVLSTCQYSA-N 409.719 7.028 0 1 HKAF CC(C)NC(=O)Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587103468 HLASXOAIVFYZAC-UHFFFAOYSA-N 407.473 5.643 0 1 HKAF O=C(NCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1cccc(C(F)(F)F)c1 587112221 RABXNRWAZRBNGP-UHFFFAOYSA-N 421.728 5.184 0 1 HKAF COc1ccccc1Nc1ccccc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587240887 RAIPNNYTNHSPJF-UHFFFAOYSA-N 407.473 6.774 0 1 HKAF Cc1ccc(CCc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1N 587250622 NRICXVQCCZCCBT-UHFFFAOYSA-N 402.336 5.036 0 1 HKAF Cc1ccc(C2(c3ccc(C)o3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 587348170 CPVAJUHUJXMUKM-HSZRJFAPSA-N 418.420 5.637 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(C)C)nn(Cc3ccccc3)c1Cl)O2 587378138 AEYXEUXNRPPYED-IBGZPJMESA-N 409.917 5.305 0 1 HKAF Cc1nc2ccccc2c(Cl)c1CC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587499693 MFBSNQTYZLBHEG-SANMLTNESA-N 419.952 6.432 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587518215 CNKOHXWXXKDABS-FHAGJXEFSA-N 411.542 5.079 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2)C1 587519016 SXOKTUFJASSFBC-LOSJGSFVSA-N 411.542 5.081 0 1 HKAF COc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)CC(=O)c2ccc3c(c2O1)CCCC3 587529466 ALXQRQMVDHZTQV-MUUNZHRXSA-N 424.496 5.868 0 1 HKAF O=C1C[C@H](c2nc(-c3ccc4ccccc4c3)cs2)Oc2c1ccc1c2CCCC1 587535959 QFQAOYSXAUFXKS-XMMPIXPASA-N 411.526 6.549 0 1 HKAF Cc1cc(Cl)cc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nc12 587552369 QUZSYUAOWCVGIH-GBXCKJPGSA-N 417.848 5.605 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1cccs1 587615730 XQLGLYSJGRUTFZ-WIOPSUGQSA-N 414.482 5.554 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C)c(Cc3c(C)nc4ccc(C(=O)O)cc4c3Cl)c2c1 587642452 SEXXYIWKSMGFLI-ZDUSSCGKSA-N 420.940 6.789 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]2c2ccccc2Cl)N1 587692631 BONSKQAZKHVMFT-UFAGZECESA-N 408.742 5.939 0 1 HKAF CCCCO/C=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587707344 UICZYBBDJIOHOF-IFYTVOTQSA-N 410.249 5.210 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(F)cc(F)c2)(C(F)(F)F)N1 587709423 MJPARBAMSYRRCT-PWJLMRLQSA-N 424.182 5.207 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)cc2OC(F)F)N1 587721770 XINWDEBPWSMEOF-LZVRBXCZSA-N 418.228 5.126 0 1 HKAF CC(C)[C@@]1(c2cccc(Cl)c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587726383 WZUAGYAFHPKOAW-WYRIXSBYSA-N 414.721 5.815 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccncc2)N1 587778924 OYFRDUDNNSEFPF-NYHFZMIOSA-N 411.318 5.004 0 1 HKAF Cc1onc(-c2ccccc2)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587799534 ZUVZSBUGPUQHPK-GTJPDFRWSA-N 415.306 5.349 0 1 HKAF CC[C@H](C)c1ccc(OC)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587808807 QSZHRFVVHKFMSX-QRQYBIJMSA-N 406.339 5.734 0 1 HKAF CC(C)c1cc([C@]2(C(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587823222 SSOITQDVSACTHT-PEBXRYMYSA-N 420.366 5.851 0 1 HKAF O=C(O)CCCCCCCCCCCCc1nc2cnc(C(F)(F)F)[nH]c-2n1 587957490 MDIKZRMCRIXLGO-UHFFFAOYSA-N 400.445 5.242 0 1 HKAF O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1ccc2ncsc2c1 621476107 LTQGDZNZFAVFJE-UHFFFAOYSA-N 403.294 5.100 0 1 HKAF c1ccc(N2CCN3[C@H](Cc4ccccc4[C@]3(CC3CCCC3)c3ccccc3)C2)cc1 962640490 QWZSGUYFDLFZLW-DGPALRBDSA-N 422.616 6.257 0 1 HKAF Cc1ccccc1[C@@H]1C[C@@H]1[C@]1(C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962644185 RFWJOAYLBKUYGV-COTPGQAASA-N 408.589 5.761 0 1 HKAF O=C(Nc1cccc(Nc2ccc3c(/C=C/c4ccccc4)[nH]nc3c2)c1)[C@@H]1CCOC1 1772634066 KHOPYRWYQSTWNO-VSRDTVRMSA-N 424.504 5.452 0 1 HKAF O=C(/C=C/c1ccc(F)cc1)Nc1nc(-c2ccc3oc4ccccc4c3c2)cs1 1857642895 BCLAMZLLKGVGKE-KPKJPENVSA-N 414.461 6.501 0 1 HKAF Nc1oc2c(-c3cccc(C(F)(F)F)c3)nccc2c1Nc1ccc(F)c(Cl)c1 1857772399 ASTUQNRHWYYUSO-UHFFFAOYSA-N 421.781 6.632 0 1 HKAF S=C(Nc1ccccc1)N1N=C(c2cccs2)C[C@H]1c1ccc2c(c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c1ccc(-c2nc3ccc(C)cn3c2NCc2ccccc2)cc1 61959755 KHELVDMONQBQRT-LJQANCHMSA-N 401.579 6.812 0 3 HKAF O=C(NCCOc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1ccsc1 2481415 KSLWPDINXGXRGK-UHFFFAOYSA-N 424.909 5.532 0 1 HKAF CS(=O)(=O)c1ccc(-c2c(Br)csc2-c2ccc(F)cc2)cc1 3814659 UZQCYTGGHYSMIZ-UHFFFAOYSA-N 411.317 5.387 0 1 HKAF COc1ccc(-c2cc(C(F)(F)F)nc(N[C@H](C)c3ccccc3)n2)cc1OC 4757783 SSYPSVLJYKPLEO-CYBMUJFWSA-N 403.404 5.353 0 1 HKAF CN(C)c1ccc(-c2nc3ncnc(N)c3c(-c3ccccc3)c2-c2ccccc2)cc1 13529834 FSAWFKKQVBJPCL-UHFFFAOYSA-N 417.516 5.674 0 1 HKAF CC(C)=CCc1cc([C@@H]2COc3cc(O)c(CC=C(C)C)c(O)c3C2=O)ccc1O 14780911 CEBSROOTTDEPKN-IBGZPJMESA-N 408.494 5.180 0 1 HKAF biogenic C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)c1cccc(O)c1 28383281 WPGYOKXMAPXGPW-GPXOXTDOSA-N 404.485 5.197 0 1 HKAF C[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 28820609 IMGXWRKTVOMDLZ-JTQLQIEISA-N 417.745 5.038 0 1 HKAF C1=C(c2ccc(CCN3CCc4ccccc43)cc2)[C@H]2CN(Cc3ccccc3)C[C@H]2C1 29127939 WWQFGJHILWPTGQ-PXJZQJOASA-N 420.600 5.827 0 1 HKAF C/C=C/CN(Cc1ccccc1Cl)c1ccc(C(=O)NCc2cccnc2)cc1 72107609 BRFBMIJDVYFMSZ-NSCUHMNNSA-N 405.929 5.248 0 1 HKAF FC(F)(F)c1ccc(-c2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)cc1 73257756 DCRLPDKZLRTSJF-UHFFFAOYSA-N 414.430 7.583 0 1 HKAF O=C(NCC1CCCCC1)c1cnc(NCc2ccccc2)nc1-c1ccccc1 82132835 BXRNXFKJCRANRT-UHFFFAOYSA-N 400.526 5.066 0 1 HKAF CCCOCCCNc1ncc(-c2nc3ccccc3s2)c(-c2ccccc2F)n1 82175004 SDGGUUQMJHFNTD-UHFFFAOYSA-N 422.529 5.788 0 1 HKAF COc1ccc(Cc2ccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)cc2)cc1 95575473 NGASTPOLTDYGHU-UHFFFAOYSA-N 418.924 5.393 0 1 HKAF C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C 95910280 RJBBOSXUQGUNDD-AENRXNTRSA-N 412.706 6.082 0 1 HKAF CC/C(=C\C[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 96014387 JNYKCGNCXSSXEF-NQDUAKDMSA-N 412.702 7.945 0 1 HKAF S=c1[nH]nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1 101419913 XIUOLJTWTRUVGZ-UHFFFAOYSA-N 401.539 5.890 0 1 HKAF CCCCN(c1sc2ccccc2c1Br)S(=O)(=O)c1ccccc1 115230699 XGASUQACLSYTOW-UHFFFAOYSA-N 424.385 5.659 0 1 HKAF CC(=O)Nc1ccccc1-c1ccc2[nH]c(/C=C/c3ccc(C(C)(C)C)cc3)nc2c1 117144967 GEVKFYGTGFJHID-LFIBNONCSA-N 409.533 6.656 0 1 HKAF C[C@H]1[C@H]2Cc3ccc(OC(=O)c4ccccc4F)cc3[C@@]1(c1ccccc1)CCN2C 169320451 SYUBFWFBZCDVLU-IPEONRORSA-N 415.508 5.227 0 1 HKAF CCCN(CCC)C(=O)[C@H]1C(C)=Nc2ccnn2[C@H]1c1ccc(Cl)c(Cl)c1 169720767 IBUCUBNOYQICMA-OALUTQOASA-N 407.345 5.150 0 1 HKAF CC[C@H](/C=C\[C@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C)C(C)C 255222148 JZVFJDZBLUFKCA-NKPQTSPPSA-N 412.702 7.801 0 1 HKAF Cc1cccc(CNc2cccc(-c3cc(N[C@H]4CC[C@H](N)CC4)ncc3Cl)n2)c1 261101578 GKFIGZDTKUOLII-WGSAOQKQSA-N 421.976 5.399 0 1 HKAF N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4ccccc4)n3)c(Cl)cn2)CC1 261138204 MNASVSQLOIJTDA-IYARVYRRSA-N 407.949 5.091 0 1 HKAF FC(F)(F)c1ccc(Oc2ccc(-c3noc(-c4n[nH]c5ccccc45)n3)cc2)cc1 299861649 INZMYYZREYETLY-UHFFFAOYSA-N 422.366 6.091 0 1 HKAF CCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1cccc(C(F)(F)F)c1 473102925 LSSYSYTZPUNDNN-UHFFFAOYSA-N 404.392 5.058 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 586879173 LFVCTWAZKANTRR-UHFFFAOYSA-N 407.267 5.666 0 1 HKAF CCCCc1cc(=O)oc2cc(OCc3nc4cc(Cl)c(F)cc4[nH]3)ccc12 586919230 XQFPWJIKVSZIML-UHFFFAOYSA-N 400.837 5.383 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2cccc(C(N)=O)c2[nH]1 586981065 FFXSYMMESBIIJA-UHFFFAOYSA-N 416.319 5.050 0 1 HKAF Cc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1Br 586984022 GBKYWBYEXLMFBW-UHFFFAOYSA-N 416.274 5.890 0 1 HKAF CCN1/C(=C\c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)Sc2ccccc21 586993795 PEORBAWWKNTQAA-OEAKJJBVSA-N 422.509 6.082 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC[C@@H](N(C)Cc1ccccc1)C4)-c1ccccc1C2=O 586997602 TUERMIXHGRTZBH-HXUWFJFHSA-N 418.540 5.744 0 1 HKAF CCOc1cc2oc(=O)c(-c3nc4c(C)ccc(C)c4[nH]3)cc2cc1Br 586998458 KHCRMILABMXJBJ-UHFFFAOYSA-N 413.271 5.114 0 1 HKAF CCCOc1cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2cc1Br 587023987 UCUJTTPYMIIIAS-UHFFFAOYSA-N 414.328 5.905 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3ncsc3-c3ccccc3)nc2c1 587028295 PNLIFXZHIVEIPL-UHFFFAOYSA-N 413.346 6.391 0 1 HKAF Sc1nc(S)c2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2n1 587048885 ZUZPVORTUNRKBK-UHFFFAOYSA-N 405.335 5.571 0 1 HKAF Oc1nc(NCc2ccccc2)c2nc(/C=C\c3cccc(Cl)c3Cl)nc-2[nH]1 587053527 DWJZOZHNWCYFPT-KTKRTIGZSA-N 412.280 5.099 0 1 HKAF Cc1c(Cl)ccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c12 587061245 SMALILCJBTZMAN-UHFFFAOYSA-N 404.300 7.060 0 1 HKAF Oc1ccccc1-c1cc(-c2nc3ccnc(Cl)c3[nH]2)c2cccc(Cl)c2n1 587081791 VAMSBDIIQCNMIS-UHFFFAOYSA-N 407.260 5.853 0 1 HKAF Cc1cc(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc(C)c1O 587101196 KIBTZAQFZZBNEA-UHFFFAOYSA-N 423.468 5.371 0 1 HKAF CCCCOc1cc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2cc1Br 587115402 MZKJBBOVYOQPMM-UHFFFAOYSA-N 414.225 5.585 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)cc2F)c1 587144438 XMOBBBVZBYJDOT-UHFFFAOYSA-N 419.456 5.435 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c(Cl)c2)cc1F 587145575 NBIRVZBMNGFPSN-UHFFFAOYSA-N 416.786 6.319 0 1 HKAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2c(F)cnc(Br)c2[nH]1 587151331 XEMVYTZAAZVMEK-OAHLLOKOSA-N 415.241 5.200 0 1 HKAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587151628 TVZBLIRLIKHWFT-ZETCQYMHSA-N 421.163 5.762 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccnc(Br)c3[nH]2)cc1F 587152251 YLMOMEOTIKZMFH-KRWDZBQOSA-N 416.225 5.167 0 1 HKAF Cc1c[nH]c2c1[C@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351196 ZDZLTHYLWZCVRQ-DHLKQENFSA-N 405.469 5.395 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCO[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 587361424 YNUGLJAPNSBXAW-LSQMVHIFSA-N 404.437 5.181 0 1 HKAF COc1cccc(-c2cc(-c3cccc(-n4cnnn4)c3)nc3c2oc2ccccc23)c1 587362138 CCLGUAULOOOPQJ-UHFFFAOYSA-N 419.444 5.299 0 1 HKAF C/C(=C/[C@]1(c2ccsc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)N(C)C 587379578 YWMCARDFZDVDSI-ZOHGIBHYSA-N 423.509 5.313 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(OC(F)(F)F)cc1)(C(C)(C)C)CC2=O 587464911 YZNGTBURKPENBQ-JOCHJYFZSA-N 422.443 6.150 0 1 HKAF CC(C)(C)OC(=O)NC[C@@H]1CCCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587511727 NCYYGACXFLJKBJ-BVZFJXPGSA-N 413.558 5.374 0 1 HKAF O=C1C[C@]2(CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)Oc2c1ccc1c2CCCC1 587518851 RGQBUZCGZYJRSO-WBWMCNGVSA-N 401.550 5.202 0 1 HKAF CCCC[C@@H](CC)COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520971 GWSWDJVRMGRUNA-PIIWDFAUSA-N 420.593 7.041 0 1 HKAF O=C1C[C@@]2(CCCc3cc4c(cc32)-c2ccccc2CC4)Oc2c1ccc1c2CCCC1 587527983 YGPUVWRZDXUHBO-SSEXGKCCSA-N 420.552 6.528 0 1 HKAF C[C@@]1(Cc2cc(Cl)cc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544571 FLIBWTDUFYHFCD-KNQAVFIVSA-N 415.272 5.662 0 1 HKAF CCCCCOc1cc2nc(CCOCc3ccccc3)[nH]c2cc1Br 587566102 VEXHVWRKKIWXQK-UHFFFAOYSA-N 417.347 5.654 0 1 HKAF Cc1cccnc1[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587589574 VQZSMUUWBDBDNF-IUBQTAPSSA-N 401.462 5.154 0 1 HKAF Cc1ccc(C)c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587600275 AKINFZWPDPWKJS-LEAFIULHSA-N 422.480 5.914 0 1 HKAF Cc1c(-c2ccc(Br)cc2O)[nH]c2c1c(Br)cc1n[nH]cc12 587620855 IIODHCJOGXEYKR-UHFFFAOYSA-N 421.092 5.250 0 1 HKAF Clc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccccc2)cc1 587621660 GTGWIOXLQIRWFV-UHFFFAOYSA-N 422.713 6.794 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C1CCCC1 587753326 VAYQJBVPLKUFLB-GTJPDFRWSA-N 405.355 5.745 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(Cc3ccccc3)CC2)N1 587763917 APNOGNUVVDHPLC-KSFYIVLOSA-N 417.366 5.004 0 1 HKAF CC[C@H](C)Oc1c(OC)cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587791534 JZEXDICZEFYOQP-QAJFTPDKSA-N 422.338 5.398 0 1 HKAF CCCCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587797013 VAAJMSROSNBEKB-ZSEKCTLFSA-N 422.338 5.399 0 1 HKAF CCC[C@H](OC)c1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587798279 ZOJUZEHXPFDVAP-YFYZNPQRSA-N 420.366 5.874 0 1 HKAF CO[C@@H]1C[C@H](c2ccccc2)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587812291 QCANYHXTBJMFRC-UDUMWDJMSA-N 418.350 5.300 0 1 HKAF Cc1c(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c(C)c1C=O 587818232 GZTZCMMLBNVXHO-CHNSCGDPSA-N 404.323 5.258 0 1 HKAF CCc1ccc(CC(C)(C)[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587821703 XCJOBALDYISPDA-SPLOXXLWSA-N 404.367 5.995 0 1 HKAF CC(C)c1cc([C@@]2(C(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587822764 QYOLDODHNUYPHZ-RCDICMHDSA-N 420.366 5.851 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2cc(C(F)(F)F)ccc2s1 587870994 NBDBRBLVDLJSNJ-UHFFFAOYSA-N 407.392 5.706 0 1 HKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 587950489 LXNKZZJDZFELQP-LBTNJELSSA-N 409.368 6.159 0 1 HKAF C[C@]1(c2cc(Cl)ccc2Oc2ccccc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962927090 ZFTXHNCSRQYZSC-WMZHIEFXSA-N 411.860 5.134 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](Cc2ccccc2)(c2ccccc2C(=O)O)N1 962956476 YGCLVECMKXFVON-WINIVTDRSA-N 410.517 5.277 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]2(CCc1cccc(Br)c1)C1CC1 963105461 MGCPNQJOEHZSOJ-JTHBVZDNSA-N 414.362 5.847 0 1 HKAF CN1CCc2c(Br)cccc2[C@@H]1[C@@H](c1ccccc1)c1ccc(F)cc1 963289640 PRMDQJKYMLFXAM-XZOQPEGZSA-N 410.330 5.949 0 1 HKAF CC(C)c1ccc(COc2ccc(N(CCN)C(=O)c3cccnc3Cl)cc2)cc1 1772596791 ZOOZYFKTHUEKKH-UHFFFAOYSA-N 423.944 5.043 0 1 HKAF O=C(/C=C/c1ccccc1)Nc1cc2nc[nH]c(=Nc3ccc(F)c(Cl)c3)c2s1 1857539869 QYSPUHCWSARYAQ-RMKNXTFCSA-N 424.888 5.301 0 1 HKAF COc1ccc(CCN(C)CCCN2c3ccccc3Sc3ccccc32)cc1 1857634914 QFKBDYMVVCEXSV-UHFFFAOYSA-N 404.579 5.863 0 1 HKAF CC(C)CC[C@H]1O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2[C@H]1C 2356413480 YHRVCEOENVRMCE-YGOWMERSSA-N 416.646 5.347 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC=C2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356472231 PAFFRGPILQJRRL-AROJKAEASA-N 414.718 7.881 0 1 HKAF CC(C)(O)C=CC[C@@]1(C)[C@H]2CC[C@@H]3Cc4c([nH]c5ccccc45)[C@@]3(C)[C@]2(C)CC[C@H]1O 2356491988 UCZDOMMSHDUFIK-UEUNZZLKSA-N 421.625 5.892 0 1 HKAF CO[C@@H]1C[C@@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)c2ccc(C(C)C)cc21 2356648940 UUEITCHLKYSZKN-OVSMBABESA-N 416.558 5.373 0 1 HKAF CC(C)c1ccc(/C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1 13122309 JPKDQGIHXQOKGQ-XQNSMLJCSA-N 402.519 5.658 0 3 HKAF O=C1Nc2ccccc2[C@@H](c2ccccc2)N1C1CCN(CC2CCCCC2)CC1 13553577 LLZCJDKJRWKNNO-RUZDIDTESA-N 403.570 5.668 0 1 HKAF Cc1cc2c3c(c1Br)O[C@H](C)N=C3C(=O)C[C@]1(C)CC[C@@H](C(C)C)[C@H]21 15267065 GZVNTXSTGFGYHN-KOXIMRRESA-N 404.348 5.414 0 1 HKAF biogenic COCCOCOc1cc2c(c(C)c1C)O[C@@](C)(CC/C=C/CCC=C(C)C)CC2 27189610 ZJKYUZNLHFQEKL-TTZARTBGSA-N 416.602 6.469 0 1 HKAF O=C1N(CCCCCCOc2ccc(C(F)(F)F)cc2)CCN1c1ccccc1 29401530 VVSBSFLZYMSKGX-UHFFFAOYSA-N 406.448 5.587 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(N(C)C)cc2)C(C)(C)CCC1 72108024 MILMRFNLYUZXPC-FSDIUQKZSA-N 418.625 7.223 0 1 HKAF COc1cc(CNc2cc(Oc3cccc4ccccc34)ncn2)cc(OC)c1OC 82067487 AEXSDRALELGXRU-UHFFFAOYSA-N 417.465 5.060 0 1 HKAF COCCn1c(-c2ccc(Cl)cc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82187904 QKBUUNQYSZUSBN-MRXNPFEDSA-N 421.932 5.009 0 1 HKAF Cc1oc(-c2cnc(N(C)CC(C)C)nc2-c2ccc(F)cc2)nc1-c1ccccc1 82219676 GJSPMVZGRQNBGR-UHFFFAOYSA-N 416.500 6.005 0 1 HKAF CCCCSc1c(-n2cc(C)c3c2CC(C)(C)CC3=O)ccc2c(N)ncnc12 84603767 JWMNNGKBRMWHGI-UHFFFAOYSA-N 408.571 5.358 0 1 HKAF CCCCCCn1cc(COc2ccc3c(c2)O[C@H](c2ccccc2)CC3=O)nn1 84689282 PPYYCWNWXNGXBY-QHCPKHFHSA-N 405.498 5.144 0 1 HKAF C[C@@H](c1c[nH]nc1-c1ccccc1)N1CCC(CCC(=O)Nc2ccccc2)CC1 96271757 ODOVTEFMVFIJDE-IBGZPJMESA-N 402.542 5.269 0 1 HKAF O=C(CN1C(=O)S/C(=C\C2=C(Cl)c3ccccc3CCC2)C1=O)c1ccccc1 103234605 XTXDHKYCHYCXOB-MOSHPQCFSA-N 423.921 5.435 0 1 HKAF CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccc2C)C2=C(O)CC(C)(C)CC2=N1 104004287 BQKHXYBNCWIYFP-QFIPXVFZSA-N 401.510 5.473 0 1 HKAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCCNCCC(=O)O 143642689 IAORULDJULCWPV-HZJYTTRNSA-N 408.627 5.371 0 1 HKAF CCN(CC)C[C@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2cc(OC)ccc12 169333845 UERKQPFVUOSNOD-QFIPXVFZSA-N 419.352 5.592 0 1 HKAF CC(C)=CCC[C@H](C)[C@H]1CCC2=C3CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255214241 GXGUDXDDESQQQQ-QTXQYQNPSA-N 412.702 8.089 0 1 HKAF Cc1cc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586878665 IKKMFCOZPAWTAJ-UHFFFAOYSA-N 412.367 5.802 0 1 HKAF CCCCOc1cc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2cc1Br 586909584 YQWVQKLQQDZEBU-GFCCVEGCSA-N 417.303 5.085 0 1 HKAF CC(C)(C)c1cccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12 586959166 JCANXTKTEONYER-RUZDIDTESA-N 419.388 5.363 0 1 HKAF O=C1c2ccccc2-c2c(Cc3ccccc3)c([C@@H]3CCCNC3)nc3ccc(O)c1c23 586989496 LKXKXCAKNVPQJC-GOSISDBHSA-N 420.512 5.210 0 1 HKAF O=Cc1ccc(-c2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)o1 586989954 BFTFFVLSFUCUNI-UHFFFAOYSA-N 417.420 5.891 0 1 HKAF FC(F)(F)c1ncc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc-2[nH]1 587015038 CIVJEDKLYKEQPM-UHFFFAOYSA-N 416.215 5.421 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(F)c(F)c(F)c2[nH]1 587035804 ZHFZNHGGYSNWCM-GFCCVEGCSA-N 403.429 5.466 0 1 HKAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587080660 SBFVOIFADCLBMS-IBGZPJMESA-N 414.896 5.171 0 1 HKAF COc1ccc(-c2ccc(-c3nc4c(Br)ccnc4[nH]3)c(F)c2)c(F)c1 587148553 KCVYOKJZXFBYQJ-UHFFFAOYSA-N 416.225 5.341 0 1 HKAF CCOC(=O)Cc1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1 587164307 PTBJUDLIXKJVIF-LDADJPATSA-N 406.482 5.458 0 1 HKAF Clc1cc(I)cc(-c2nc3cc4ccccc4cc3[nH]2)c1 587182986 SVLQEZHNCRWAMY-UHFFFAOYSA-N 404.638 5.641 0 1 HKAF CC(C)Oc1cc2nc([C@H](C)c3ccc(N(C)C)cc3)[nH]c2cc1Br 587197867 WMGMSXAFRGHQEV-CYBMUJFWSA-N 402.336 5.330 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCc3ccc(Cl)cc3C2)[C@@H]1c1ccc(F)cc1 587326472 BVOPYFCWTZSZEN-VWNXMTODSA-N 408.856 5.471 0 1 HKAF CC(C)(O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587349843 GCUARDQAEIWGNT-DHLKQENFSA-N 406.453 5.033 0 1 HKAF COc1cccc(-c2cc(-c3occc3Br)nc3c2oc2ccccc23)c1 587361694 ZCRRPZMORJTUKG-UHFFFAOYSA-N 420.262 6.679 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1O)(c1ccccc1Cl)CC2=O 587463162 VJRTZQOSTARDIC-RUZDIDTESA-N 422.908 5.921 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cc(Br)c1F)CC2=O 587465029 FEWIBMYRJTTZFQ-MRXNPFEDSA-N 413.670 5.606 0 1 HKAF CCCc1c(O)ccc2c1OC1(CCN(Cc3c(F)cccc3Cl)CC1)CC2=O 587466924 QKCNSMZSKKTDJI-UHFFFAOYSA-N 417.908 5.137 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(CN3CCC[C@@H](C)C3)c1)CC2=O 587474312 DXUKJALFHRMZGA-CRICUBBOSA-N 423.553 5.292 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1Cc1ccc([C@H](C)C(=O)O)cc1)CC2=O 587492692 YBOCGXWPDLBYDQ-KGVVXCLESA-N 422.521 5.280 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COCC(F)(F)F 587502130 TUJMLNWIYVDQHS-NRFANRHFSA-N 420.427 5.359 0 1 HKAF CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587505050 SQYXKSMMKWLXBM-FQEVSTJZSA-N 401.300 5.433 0 1 HKAF Cc1ccc([C@]2(c3c(F)cccc3F)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587506804 PMWXMDGUMIFBOU-SANMLTNESA-N 404.456 6.061 0 1 HKAF CN(C)/C=C\[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587507487 MFMLTEZKZXHMDS-WHIOSMTNSA-N 415.455 5.520 0 1 HKAF O=C1C[C@@H](c2cc(Br)ccc2OC(F)F)Oc2c1ccc1c2CCCC1 587510110 YTOAPKXBJHQGBT-SFHVURJKSA-N 423.253 5.636 0 1 HKAF CC(C)(C)[C@]1(c2cc3ccccc3nc2N)CC(=O)c2ccc3c(c2O1)CCCC3 587512573 YTWJYXVTXQHFDC-AREMUKBSSA-N 400.522 5.603 0 1 HKAF Cc1ccc(-c2nc3ncccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587514670 IWTKMQHKIWGXKT-QFIPXVFZSA-N 409.489 5.290 0 1 HKAF Cc1ccc([C@]2(C(=O)c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587521817 GLJULQHYHABRQD-NDEPHWFRSA-N 410.513 5.926 0 1 HKAF CC(=O)c1ccc(-c2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 587523841 LYRKKDVOACQIHC-NDEPHWFRSA-N 410.513 6.316 0 1 HKAF COc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587541037 DCWDDSKVMQFETJ-XLIONFOSSA-N 417.244 5.411 0 1 HKAF CCCC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545079 GOSDHTGYMRQWNF-XUZZJYLKSA-N 408.881 6.093 0 1 HKAF COc1c(C)cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587546313 QEUYSTUHXGMFIJ-XXBNENTESA-N 410.853 5.240 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(Cl)cc1Cl 587557168 MFZMSQKXPNAPML-FXAWDEMLSA-N 405.208 5.541 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(c1ccc(F)cc1)CC2 587571697 OURWNUHIQFYFMO-ONWYWGCKSA-N 404.437 5.590 0 1 HKAF Cc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587575919 GXVMMLYJWJKLBG-OZXSUGGESA-N 411.457 5.503 0 1 HKAF CC[C@H](C)c1ccc([C@]2(CC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587602352 JKOZQFQYHIHKMP-RUJAXMSRSA-N 402.490 6.173 0 1 HKAF COc1ccc(-c2[nH]c3cccc(F)c3c2-c2cccc(F)c2)c(Br)c1 587634526 ITPZKESQQMMZRJ-UHFFFAOYSA-N 414.249 6.551 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H]2c2ccc(Cl)cc2)N1 587694624 HLLVCWOWVQVJMH-RRBXVBTKSA-N 408.742 5.939 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2cccc(C(F)(F)F)c2)N1 587710053 BNGNZLRMGBCSSD-WOZMCRCCSA-N 414.240 5.896 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)(F)F)nc2Cl)N1 587712454 KRFNJZXRZNSRDQ-WJWGPLDTSA-N 423.635 5.279 0 1 HKAF CC(C)[C@@]1(c2ccc(Cl)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587726054 TZLLDPWAAVNWPA-WYRIXSBYSA-N 414.721 5.815 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2F)(C2CCCC2)N1 587728830 TYACAJBELFAUSR-ZSEKCTLFSA-N 406.314 5.695 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC=C(NNc3ccccc3)C2)N1 587750145 RRLHXABUFPMFNW-QKKBWIMNSA-N 416.338 5.002 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2Cc2cccs2)N1 587849508 AFSZIUVEJGHTSL-BLVKFPJESA-N 405.336 5.123 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3sccc3nc2Cl)N1 587855935 HJSWULQMISGDBB-VPTHRUTESA-N 411.727 5.475 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(C3(c4ccc(OC)cc4)CC4(CCC4)C3)nc2c1 587938774 ZZJCKRAALBWFCK-UHFFFAOYSA-N 410.901 5.262 0 1 HKAF COc1ccc2c(c1)[C@@](C)(c1sc(Nc3cccc(C)c3)nc1C)N(C(C)C)CC2 962092821 QRRFBIABHJMLAS-VWLOTQADSA-N 421.610 6.042 0 1 HKAF Cc1cccc([C@@]2(c3ccc(Cl)c(Cl)c3)NCCc3ccc(F)c(C)c32)c1 962143495 IBRCYSWQXXBERH-QHCPKHFHSA-N 400.324 6.187 0 1 HKAF Cc1nc2ccc(Br)cn2c1[C@@H]1NCCc2cccc(-c3ccccc3)c21 962669928 PXPWGQAUJIGCQH-JOCHJYFZSA-N 418.338 5.307 0 1 HKAF Fc1ccc([C@@]2(CCSc3ccccn3)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963095037 CAPIIUORBXEVDM-DHLKQENFSA-N 422.544 5.806 0 1 HKAF Fc1ccc([C@]2(CCSc3ccccn3)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963095040 CAPIIUORBXEVDM-RCZVLFRGSA-N 422.544 5.806 0 1 HKAF CCCCc1ccc([C@]2(c3ccnc(C)c3)c3c(F)cccc3C[C@H]3CCCN32)cc1 963100919 IZNSZNOFCNOOGJ-NAKRPHOHSA-N 414.568 6.184 0 1 HKAF Cc1c(C)c2ccc(OC[C@@]3(C)c4ccc(F)cc4C[C@H]4CCCN43)c(C)c2oc1=O 963113247 SPZDJRZNZYTVHY-IBVKSMDESA-N 421.512 5.172 0 1 HKAF CCOc1ccccc1-c1cc(Cl)cc([C@H](CC(=O)O)c2ncc(C)s2)c1 1772603556 VLEFNGKBXNDVHQ-SFHVURJKSA-N 401.915 5.777 0 1 HKAF COc1cccc(C(=O)Nc2cccc(Nc3ncnc4c3Cc3ccccc3N4)c2)c1 1857634984 IGTCEJWDJGZTHJ-UHFFFAOYSA-N 423.476 5.129 0 1 HKAF COc1ccc2nc(-c3ccc(Cl)cc3)c(-c3ccc([S@](C)=O)cc3)nc2c1 1857650722 IDWXMLHTGMEACM-NDEPHWFRSA-N 408.910 5.363 0 1 HKAF CC(C)(C)c1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)c(C(C)(C)C)c1 1911578387 WIIXOGOVCBLROX-UHFFFAOYSA-N 406.614 6.520 0 1 HKAF CC1(C)C=CC[C@]2(C)Oc3ccccc3C[C@@H]2CC[C@@]2(C)Oc3ccccc3C[C@H]2C1 2356422187 ISSPUSZYYOWQJE-PJEHFJQTSA-N 416.605 7.163 0 1 HKAF CC(=O)O[C@@H]1C[C@]2(C)[C@@H]3CCC(C)=CCO[C@]3(C)CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@@H]12 2356681024 BTAWZZWVNLKTFR-SHOHUZQXSA-N 416.646 6.702 0 1 HKAF CC(C)[C@@H]1CCNC1=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](N)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356683201 KWJAIEDSFQYEAZ-UXACMGOESA-N 424.717 6.678 0 1 HKAF CCCC[C@@H]1CC[C@](CCc2ccc(O)c(OC3CCCC3)c2)(OC(C)=O)C[C@@H]1O 2356770214 AODKBWKXEGJSHL-PBXXJUDPSA-N 418.574 5.299 0 1 HKAF CCCCCCc1ccc(N2C[C@H](C)[C@@H](CC(=O)NCc3ccccc3)C2=O)cc1 15937313 VBDFPOUKJZHTBW-GBXCKJPGSA-N 406.570 5.115 0 3 HKAF N[C@@H](c1ccccc1)c1csc(NC(=O)Nc2ccccc2Oc2ccccc2)n1 61930724 BHAANUCEUMXLIS-NRFANRHFSA-N 416.506 5.628 0 3 HKAF C[C@@H](O[C@H]1CCCN[C@H]1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 3808292 AXRHJNPWSRJZKN-VMDGZTHMSA-N 417.393 6.295 0 1 HKAF CCCC(=O)OCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C 3961313 CVKNZADKHLEGHJ-GHSBTYJGSA-N 400.559 6.362 0 1 HKAF O=C(Cc1ccccc1)N1CCC(CCOC(c2ccccc2)c2ccccc2)CC1 13862275 UGHZFJPSXAOFJJ-UHFFFAOYSA-N 413.561 5.664 0 1 HKAF C[C@@H](C(=O)OC/C=C/c1ccccc1)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27559647 XWEWIPKKCFHQRD-BHVIHHKRSA-N 420.574 6.142 0 1 HKAF CN1CCC[C@H]1COc1cncc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 27710916 AXYSPQALCJKBDE-INIZCTEOSA-N 404.354 5.259 0 1 HKAF CC(C)(C)c1cc(N2CCCN(c3ccc(C(=O)O)cc3)C2=O)cc(C(C)(C)C)c1 28364620 ARQDMZVHHSLCFM-UHFFFAOYSA-N 408.542 5.817 0 1 HKAF NCC1CCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 28826288 JYJMXNAOFVREBW-UHFFFAOYSA-N 417.597 5.285 0 1 HKAF CCCCN(CCCC)CCCOc1ccc(-c2csc(-c3ccccc3)n2)cc1 29476587 UTSZDVDIHSENKX-UHFFFAOYSA-N 422.638 7.148 0 1 HKAF C/C(=C\CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O 33821002 SNPWCSWYZDJTND-CXNKPBRXSA-N 416.646 6.453 0 1 HKAF O=C(O)CC/C=C\C[C@@H]1CO[C@@H](c2cccc3ccccc23)O[C@H]1c1cccnc1 36242212 FGBMMJPOIOWZGC-SOLGJABRSA-N 403.478 5.449 0 1 HKAF COc1ccccc1Nc1c(C(C)C)ccc2c1C[C@@H]1[C@](C)(CCC[C@@]1(C)C(=O)O)C2 40392740 GHGBNQZJYFVWKZ-XSBVVTFOSA-N 421.581 6.558 0 1 HKAF CCCCC/C=C\C/C=C\CCCCCCCCNCCc1c[nH]c2ccccc12 53295026 AEIDZDAUAKRQJO-HZJYTTRNSA-N 408.674 8.114 0 1 HKAF CC(C)(O)[C@H]1Cc2cc3cc(-c4ccc(OCc5ccccc5)cc4)oc3cc2O1 72176854 BDFFMMOXMREZKQ-RUZDIDTESA-N 400.474 5.753 0 1 HKAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccccc2)C1 82132954 FVFFXNXSPLFQOS-MHTWAQMVSA-N 420.601 5.277 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccccc2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181062 KRPRETOISDYNEE-MRXNPFEDSA-N 405.933 5.805 0 1 HKAF O=C(O)c1cc(-c2ccc(Oc3ccccc3)cc2)nc2c1cnn2Cc1ccncc1 95584061 TWEJQDJVTXZKRY-UHFFFAOYSA-N 422.444 5.032 0 1 HKAF O=C(O)CCCCOc1ccccc1-c1cc(-c2ccccc2)n(-c2ccccc2)n1 95587576 NIHAIVDZQCOTDI-UHFFFAOYSA-N 412.489 5.840 0 1 HKAF O=C(Nc1c(-c2ccccc2)[nH]c2ccc(Cl)cc12)c1cc2ccccc2oc1=O 96910144 UMNXSZFDTRQKFJ-UHFFFAOYSA-N 414.848 5.847 0 1 HKAF CCCCCn1cc(C(=O)NC23CC4C[C@](C)(C2)C[C@](C)(C4)C3)c(=O)c2cnccc21 101152532 LSENZBIVROPMEM-SOHPKTPWSA-N 421.585 5.066 0 1 HKAF CC1=C(O)/C(=C/[C@H](C)CC/C=C(/C)CCCc2coc(Cc3ccoc3)c2)OC1=O 101638014 YIWFEASCLZQHBJ-MGPQNOLOSA-N 410.510 6.421 0 1 HKAF CC[C@@H](C)CCC[C@](C)(CCC[C@@H](C)CCCC(C)C)[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 102191879 CYGHPBQDCJXIPT-UOSKWKFBSA-N 420.810 10.550 0 1 HKAF O=C1CCC[C@H](c2ccnn2-c2ccccc2)N1Cc1cccc(-c2ccccc2)c1 166843795 WRXUBKJYXPELAE-RUZDIDTESA-N 407.517 5.793 0 1 HKAF CC(C)N(C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 169323615 DXSCVNXGNJVZAB-SBBXWAFZSA-N 412.618 5.013 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@@]43C)[C@H]1CC[C@@H]2O 169361462 GIQHGRUKLUVHHK-WLTOGLOBSA-N 415.581 5.201 0 1 HKAF CCN1CN(CC)[C@H](c2ccc(Cl)cc2Cl)[C@H]1c1ccc(Cl)cc1Cl 253672106 OCPPLUHBDZDJSE-RTBURBONSA-N 418.195 6.698 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 255285019 YQQOGXLLGWWKQH-KGKMSRLMSA-N 414.718 8.169 0 1 HKAF CCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Oc1ccc(C(F)(F)F)cc1 473099431 FRSRWYYAZYCRFY-UHFFFAOYSA-N 403.404 5.663 0 1 HKAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586962066 AXDMRXOQUVOAGW-LBPRGKRZSA-N 402.829 5.283 0 1 HKAF Cc1ccc2c3c(cc(Cc4cc(Cl)cnc4Cl)nc13)-c1ccccc1C2=O 586993634 PARNRZWHXBKWAF-UHFFFAOYSA-N 405.284 6.047 0 1 HKAF Cc1ccc2c3c(cc(C[C@@H](C)NC(=O)OC(C)(C)C)nc13)-c1ccccc1C2=O 586995597 ITIXRFFUYLTMPU-OAHLLOKOSA-N 402.494 5.210 0 1 HKAF N[C@H](N=O)c1ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c1 587015234 HRQFVXTXIQITAO-OAHLLOKOSA-N 404.282 5.384 0 1 HKAF FC(F)(F)Oc1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cc1Cl 587021510 KUSHBSBPFACTTB-UHFFFAOYSA-N 409.820 5.829 0 1 HKAF O=C1CSc2ccc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cc2N1 587044209 RVUXZVCSUOQHME-UHFFFAOYSA-N 414.515 5.551 0 1 HKAF N[C@@H](N=O)c1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587068841 ALVJGYLIPLJOQD-VMMLISQSSA-N 418.884 5.689 0 1 HKAF COc1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2cc1Cl 587080495 DKPFBQQMGDPJHK-UHFFFAOYSA-N 410.264 5.255 0 1 HKAF Cc1ccc2c3c(cc([C@H](C)c4nc5ccccc5s4)nc13)-c1ccccc1C2=O 587101625 IUXCDZUIDQBXRU-HNNXBMFYSA-N 406.510 6.516 0 1 HKAF Oc1nccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 587112177 PLTKLJCDJLPDHY-UHFFFAOYSA-N 423.316 6.035 0 1 HKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587112508 HVMNQQHHQNKLLN-HNNXBMFYSA-N 412.480 7.079 0 1 HKAF Fc1ccc(-c2ccccc2-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1F 587145572 MVTZITVNOAAHEI-UHFFFAOYSA-N 419.656 6.591 0 1 HKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(SC(F)(F)F)ccc3[nH]2)cc1 587157651 CNQKZFUAKAYCKZ-UHFFFAOYSA-N 416.399 6.460 0 1 HKAF Ic1cccc(/C=C/c2nc3ccc4c(c3[nH]2)CCCC4)c1 587183978 MUMFWUGPTGJCTF-DHZHZOJOSA-N 400.263 5.217 0 1 HKAF C[C@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327451 GPMYRKIJBIDLNV-NFBKMPQASA-N 414.379 5.407 0 1 HKAF C[C@@]1(CCc2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347773 PURDDGXNFFQTOO-RSXGOPAZSA-N 415.464 5.763 0 1 HKAF COc1cccc(-c2cc(-c3cc(F)c(N)c(F)c3F)nc3c2oc2ccccc23)c1 587359388 GAYYCZYTACOAGR-UHFFFAOYSA-N 420.390 6.323 0 1 HKAF COc1cccc(-c2c(Cc3ccc4c(c3)CCO4)cnc3c2oc2ccccc23)c1 587365234 FEFMFWDMOLVGOJ-UHFFFAOYSA-N 407.469 6.182 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(F)cccc1O[C@H](C)c1ccccc1)O2 587382410 QWUGTDIYSKCABU-PUAOIOHZSA-N 405.469 5.737 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(-c3ccc(Cl)c(Cl)c3)cs1)O2 587410958 AFZHTPHWFMGVFP-KRWDZBQOSA-N 405.306 5.714 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](c3ccccc3)S[C@@H](c3ccccc3)C1)O2 587415785 XIGDTUFMTYDVER-OCYIUTNCSA-N 415.558 6.291 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(Cl)c(Cl)c4)o1)[C@@H](C2)C3=O 587422175 XGGPBYBKLJGZKQ-YEJXKQKISA-N 401.245 5.751 0 1 HKAF CCC[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442671 NAIKFJCMNZIJDU-ATIYNZHBSA-N 400.474 5.931 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc(C)c(Cl)c1)CC2=O 587460526 GUEWUWPDOOSGPE-JOCHJYFZSA-N 401.890 5.059 0 1 HKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(Br)=COc1ccc(F)cc12 587502039 BJHUQMSPQCCKAQ-OAQYLSRUSA-N 415.258 5.194 0 1 HKAF O=C1C[C@](c2ccccc2)([C@H]2CC=CC[C@@H]2C(=O)O)Oc2c1ccc1c2CCCC1 587529566 PHLBRKOBGXPPNC-YBXDKENTSA-N 402.490 5.093 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc(Cl)c1Cl 587541004 CTTWAJIVRHOAOP-OXJNMPFZSA-N 421.663 6.055 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1ccccc1Cl 587543552 CEPHIUNSIAOTGS-XXBNENTESA-N 418.836 5.139 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cc(Cl)nc1Cl 587554928 YKSDSJZDGOEOAX-QAPCUYQASA-N 422.651 5.450 0 1 HKAF C[C@@]1(c2ccc(-c3ccncc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587740 PQWNZGUXXZFMIX-OZXSUGGESA-N 409.441 5.331 0 1 HKAF CC(C)CCOc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595572 KZAVHWVIAUJDET-DHLKQENFSA-N 404.462 5.520 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccccc2)n1 587611773 JNILWPHUEAKFNQ-UGKGYDQZSA-N 401.443 5.219 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(C(F)(F)F)N1 587700291 AHAPQHXMBPQAHS-KPZWWZAWSA-N 416.256 5.513 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ncc3ccccc23)N1 587706658 RNUWZBHQVBXVKV-MLCYQJTMSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)ccc2F)N1 587711013 IOJPLHCJKUZUBC-ZKANADHPSA-N 406.192 5.370 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(F)c2)N1 587728893 GCAUPYXLAJKCRC-PEBXRYMYSA-N 414.293 5.553 0 1 HKAF Cc1ccc(C)c(-n2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 587754068 KKTMMWTXVNYPEV-OYHNWAKOSA-N 413.334 5.619 0 1 HKAF CC(C)n1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587756876 MOOVNZMGGQWLDX-ZSEKCTLFSA-N 401.323 5.747 0 1 HKAF CCC[C@H](CC1(c2nc3cncc(C)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781772 NGRQTTACLCFDRR-HXUWFJFHSA-N 405.542 5.628 0 1 HKAF CC(=O)c1c(C)cc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587815058 KCHDGWSKMJRGRD-GTJPDFRWSA-N 404.323 5.340 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3cccc(C(=O)O)c23)N1 587827728 QESLEMUYELLNSK-GIPWTMENSA-N 414.274 5.063 0 1 HKAF CC(C)CSc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587848815 YDPDFZGEYGBEFI-RBZFPXEDSA-N 408.380 5.960 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(CN3CCCCC3)cs2)N1 587850264 YETYMXHFFHAZQP-RBZFPXEDSA-N 423.395 5.259 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3nccs3)cc2)N1 587852814 JHPLAIWLNMFODP-VOJFVSQTSA-N 403.320 5.335 0 1 HKAF COc1cccc(-c2cccc(-n3c(O)ccc3O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)c2)c1 587927888 ZHVILFXRYBHDOA-BTZRARBUSA-N 419.565 6.698 0 1 HKAF CC(C)CSC[C@]1(C)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961777127 NZNYEAJQPWXNLY-HSZRJFAPSA-N 404.620 5.442 0 1 HKAF COc1cccc2cc3c(nc12)[C@]1(CC(=O)C[C@@H](c2ccc(C(C)C)cc2)C1)NCC3 963061409 BTJRKRMHHLMJTB-AMGIVPHBSA-N 414.549 5.245 0 1 HKAF CCOC(=O)CCC[C@@]1(c2ccc(C)cc2)NCCc2c(Cl)cc(Cl)cc21 963125335 UHAGZGREZCYJBY-QFIPXVFZSA-N 406.353 5.425 0 1 HKAF Cc1c([C@@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)oc2ccccc12 963184073 PUEFALQIUBYYEV-DOTOQJQBSA-N 409.791 5.102 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CS(=O)(=O)c1ccccc1)c1ccccc1 963241139 LULICSJYBXNHSG-HFZDXXHNSA-N 419.590 5.061 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1([C@@H](Cc1ccccc1)n1cncn1)C(C)(C)C 963241917 OUNNSUZCSJGTNN-RMXYQJDTSA-N 416.613 5.660 0 1 HKAF C[C@]1(c2ccc(Oc3ccc(Cl)cc3Cl)cc2)NCCc2ccc(O)cc21 963340347 GSVCSOGZFANPKR-JOCHJYFZSA-N 400.305 5.901 0 1 HKAF COc1cccc([C@]2(c3ccc(Cl)c(F)c3)NCCc3cccc(Cl)c32)c1 963390410 JDFQARRPLKUWFK-JOCHJYFZSA-N 402.296 5.579 0 1 HKAF Cc1ccc(-c2nc(NC(=O)Nc3ccccc3)sc2-c2ccc(Cl)cc2)cc1 1772622688 RUVBZPHHFNKYSK-UHFFFAOYSA-N 419.937 7.083 0 1 HKAF CSc1ccc(/C=C2/C(C)=C(CC(=O)NCCC(C)C)c3cc(F)ccc32)cc1 1772643430 VFKVHLQHTUMTDS-XKZIYDEJSA-N 409.570 6.428 0 1 HKAF CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN4CC[C@@H](O)C4)c4ccccc43)CC2)CC1 1857571655 UVJCSVMAXSVVJZ-NMVJMZGASA-N 423.645 5.060 0 1 HKAF O=C(O)[C@@H]1CS[C@H](c2ccccc2Cl)N1C(=O)c1cccc(-c2ccccc2)c1 1857746088 LETYEXDVBXLJLM-RBBKRZOGSA-N 423.921 5.348 0 1 HKAF CC1(C)C(=O)CC[C@]2(C)C3=CC[C@]4(C)[C@@H]5CCCC(C)(C)[C@]5(C)CC[C@]4(C)[C@H]3CC[C@H]12 2356448940 VNCZGYRTXJCYPQ-WONQLXEYSA-N 424.713 8.377 0 1 HKAF CC(C)CCC[C@@H]1C(=O)OC[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](O)CC[C@@]54C)[C@@H]2CC[C@@H]13 2356478459 FMGJZNYCKWFPAI-UJDOIOMVSA-N 414.630 5.906 0 1 HKAF CC(C)=CCCC(C)=CCC[C@@](C)(O)[C@H]1Cc2c(O)c(Cl)c(C)c(C=O)c2O1 2356482305 JAXLESZZOAELTH-AUSIDOKSSA-N 406.950 5.694 0 1 HKAF CC[C@@H](C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356732220 GYDIPQRLDOTECG-VBYSWRRDSA-N 410.730 9.076 0 1 HKAF CCCCNc1c(-c2cccc(-c3cc(C(C)=O)cs3)c2)nc2ccc(C)cn12 36382351 LMCAYKBLZJXPDW-UHFFFAOYSA-N 403.551 6.453 0 3 HKAF O=C(O)c1ccc(Nc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1 1646709 RSYJTYQTKKUHMY-UHFFFAOYSA-N 409.367 5.757 0 1 HKAF Cc1cn(Cc2ccccc2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12 13589703 LJEWJUWTKPBRNQ-UHFFFAOYSA-N 410.304 5.952 0 1 HKAF Cc1cc(C(C)(C)C)c(OC(=O)NS(=O)(=O)Oc2ccccc2)c(C(C)(C)C)c1 13747523 YZFUQINOMPGMCG-UHFFFAOYSA-N 419.543 5.002 0 1 HKAF COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1nccn1C 27206004 SXOJDQMSUXHVPE-UHFFFAOYSA-N 405.723 5.297 0 1 HKAF CCOC(=O)C1=C(c2ccoc2)N=C(C)/C(=C(/O)OCC)[C@@H]1/C=C/c1ccccc1 27525285 NANOPLXYCXWAMA-FKVNQSKWSA-N 407.466 5.164 0 1 HKAF CC(=O)c1cc(C)cc2nc(-c3ccc(NC(=O)COc4ccccc4C)cc3)oc12 29048457 SHNIXQXKKHCCRG-UHFFFAOYSA-N 414.461 5.332 0 1 HKAF Fc1ccc2c(CCCCN3[C@H]4CCC[C@@H]3c3c([nH]c5cccc(F)c35)C4)noc2c1 29306810 RVCVITJTEQPETF-KSFYIVLOSA-N 421.491 6.062 0 1 HKAF COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1[C@@H]1C=C(C)CC[C@@H]1C(C)C 34255918 OJZQYJGQIQVZMQ-WOJBJXKFSA-N 408.538 6.018 0 1 HKAF biogenic CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](N(C=O)C5CCCCC5)CC[C@@H]4[C@@H]3CC[C@@H]12 36189602 GWOHHTZQGRQPDS-XHZYNZNMSA-N 414.634 5.010 0 1 HKAF O=C(Nc1cccc(-c2ccccc2)c1)[C@@H]1CC(=O)N(c2cccc3c2CCCC3)C1 40764421 WMXSNEJGJSVQAK-JOCHJYFZSA-N 410.517 5.224 0 1 HKAF Cc1cc(=O)oc2c1ccc1oc(C(=O)c3cccc(Cl)c3)c(-c3ccccc3)c12 45369771 UHLUANOZDFRQKT-UHFFFAOYSA-N 414.844 6.399 0 1 HKAF COc1cc2nc(NCC3CCCCC3)nc(NCc3cccs3)c2cc1OC 82125279 HWIPOZMRSPQONW-UHFFFAOYSA-N 412.559 5.313 0 1 HKAF CC(C)(C)c1ccc(-c2cc(NCc3ccc(OC(F)(F)F)cc3)ncn2)cc1 82160743 GIJGCTOJKXTOFF-UHFFFAOYSA-N 401.432 5.952 0 1 HKAF CCCCCn1cc(C(=O)NC23CC4C[C@](C)(C2)C[C@](C)(C4)C3)c(=O)c2cccnc21 101094661 SWELXFURIBQVOH-SOHPKTPWSA-N 421.585 5.066 0 1 HKAF CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N1 104004024 YRGYXEPSTWYSCV-JOCHJYFZSA-N 419.500 5.612 0 1 HKAF C[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@@H]1C[C@H]1C 137555941 DSCWSZBNGFQSCJ-CDLJQVHFSA-N 414.718 7.715 0 1 HKAF O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCc2cccs2)cc1 141887916 KRLJONORBJUVOU-UHFFFAOYSA-N 414.530 5.663 0 1 HKAF Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(Nc2ccccc2)n1 144442502 OILJOIXWVIYWSO-UHFFFAOYSA-N 412.468 5.836 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)OCc1cccs1 169305890 JVBGBRBEKHETSN-AVHBIOJASA-N 400.628 7.937 0 1 HKAF c1ccc(C2(c3nnc(-c4sc5ccccc5c4OC4CCNCC4)o3)CC2)cc1 169307416 NZOYGIVRWNMMNF-UHFFFAOYSA-N 417.534 5.162 0 1 HKAF CN(c1ccc(C(=O)c2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1Cl 169326008 GQFZEWJFYZHYAA-UHFFFAOYSA-N 420.317 5.050 0 1 HKAF COc1ccc2c(c1)N[C@@H](c1c(F)cccc1Cl)[C@@H]1C(=O)CC(C)(C)CC1=N2 169722085 MUTFGIGDWWSLNP-SFTDATJTSA-N 400.881 5.732 0 1 HKAF C[C@@H](CCc1ccncc1)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 221708708 LSCUPDKAFUIRHJ-QYZOEREBSA-N 405.582 6.904 0 1 HKAF O=C(CCCN1[C@H]2CC[C@H]1CN(c1ccc(Cl)cc1)CC2)c1ccc(F)cc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c1ccccc1NC(=O)c1ccc(-c2nnc(Cc3cccc4ccccc34)o2)cc1 299831396 BQOWROLRGWBKOQ-UHFFFAOYSA-N 420.472 5.315 0 1 HKAF O[C@@H](c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1)c1cccc2ccccc12 299869840 VLAKSARCMBLWCU-GZYPRZQVSA-N 419.568 6.938 0 1 HKAF Brc1cc2nc(-c3ccc(C4CCC4)cc3)[nH]c2cc1Br 586880694 PONJQYIMNQJUID-UHFFFAOYSA-N 406.121 6.022 0 1 HKAF Cc1c(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)oc2c1[C@H](O)CCC2 586903995 PGFIWRVEJBHZSO-QGZVFWFLSA-N 401.491 5.778 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(Cl)cc(Cl)c3O)nc3ccc(O)c1c23 586985912 MDIDJYCEFPIEJP-UHFFFAOYSA-N 408.240 5.831 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(N4CCCCCC4)cc3)nc3ccc(O)c1c23 586988673 VNQJRFQKCZGZPS-UHFFFAOYSA-N 420.512 6.199 0 1 HKAF Cc1cc2c(Br)ccc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2o1 587002728 CRSRHLDHFIKTJH-UHFFFAOYSA-N 413.168 6.205 0 1 HKAF Cc1nccc2[nH]c(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)nc12 587012499 BFNHWHMIIKNLOT-UHFFFAOYSA-N 416.937 6.301 0 1 HKAF c1ccc(C[C@H]2N[C@@H](c3nc4ccc(Sc5ccccc5)cc4[nH]3)CS2)cc1 587042697 WBUKGZQXUQCZLQ-YADHBBJMSA-N 403.576 5.660 0 1 HKAF N=C(N)c1ccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2c1 587081991 BPQCUDCXHFPDOW-UHFFFAOYSA-N 413.868 5.088 0 1 HKAF FC(F)(F)CCc1ocnc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587091632 GTAUJPPLQBHOEM-UHFFFAOYSA-N 414.412 5.990 0 1 HKAF CCOC(=O)COc1ccccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098336 XGDNFEFCITUQIK-UHFFFAOYSA-N 423.468 5.364 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]1CN(Cc2ccccc2)C[C@@H]1C3 587105727 GMSCYSPPJVHZAN-PMACEKPBSA-N 416.524 5.293 0 1 HKAF CCOC(=O)c1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(C)nc1C 587106122 LUZJHIADTGCQML-UHFFFAOYSA-N 408.457 5.302 0 1 HKAF COC(=O)c1ccc2nc(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)[nH]c2c1OC 587144654 BNZFHNFGOGCYEP-UHFFFAOYSA-N 424.859 5.793 0 1 HKAF Oc1ccc(Nc2cccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2)cc1 587242174 OKPZMBOBZWGNDP-UHFFFAOYSA-N 415.678 5.490 0 1 HKAF CCCC[C@H](C(=O)OCC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349692 QKLGCEOLDMCBHF-IZIIKQMZSA-N 414.473 5.018 0 1 HKAF Cc1ccc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2c1 587349810 CSRCDQDDQXLBQH-VPUSJEBWSA-N 412.460 6.267 0 1 HKAF CC(C)CC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352475 JKXGLAXQOCYAQG-RSXGOPAZSA-N 404.481 6.222 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]([C@@H]2CCCN2C)CCC3)c1 587362598 HYVGYRMCPWKUGL-KNQAVFIVSA-N 412.533 6.171 0 1 HKAF CCC[C@]1(c2ccc(Br)c(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587412047 GXCFGBYZRHJPCD-IIBYNOLFSA-N 401.300 5.209 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCCC[C@H]1CNC(=O)OC(C)(C)C)CC2=O 587471654 UXZKDRLHAQMSMS-UPCLLVRISA-N 417.546 5.154 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](CCC)N1CCCC1)CC2=O 587473746 BWAOVQBDHCHWOL-AHWVRZQESA-N 407.554 5.470 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OCc3ccccc3)c1)CC2=O 587480754 PFDJTDUXZWHGDX-SANMLTNESA-N 402.490 5.804 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2CCc2cc(O)ccc21 587483022 QJRXBGLKOWOFLA-SANMLTNESA-N 400.474 5.058 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C(C)C)cc1)(c1cccnc1)CC2=O 587492934 YVFBAFTYKVWTGL-SANMLTNESA-N 401.506 5.772 0 1 HKAF Cc1nc(-c2ccc(O)cc2)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587530206 DFIBBRIPFOKUNQ-XMMPIXPASA-N 405.519 5.584 0 1 HKAF Cc1ccc([C@@]2(C3CCCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587602401 JXZOIAUOGMTBPY-JYFHCDHNSA-N 400.474 5.748 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)c3ccc(Cl)c(Cl)c3)c(C(F)(F)F)[nH]c12 587624942 WRLGQZLQVQEZSC-UHFFFAOYSA-N 406.618 6.686 0 1 HKAF Cc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccccn2)cc1 587627643 GLJIISBZMRAWLV-UHFFFAOYSA-N 420.356 7.243 0 1 HKAF Cc1ccc([C@@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3c(C(=O)O)cccc23)cc1 587637544 CHYAYKYJGMAZIF-LJQANCHMSA-N 419.864 5.711 0 1 HKAF CCCc1c(-c2cc(Br)ccc2F)[nH]c2ccc(S(C)(=O)=O)cc12 587650459 WWMSWNFBCLKHLH-UHFFFAOYSA-N 410.308 5.093 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccc(Cl)cc3)on2)N1 587702295 WGUBICUXOSGJDG-APBUJDDRSA-N 421.697 5.520 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(F)cc(F)c2)(C(F)(F)F)N1 587709171 IZYAXZVIPCZTSI-PWJLMRLQSA-N 424.182 5.207 0 1 HKAF CC[C@@]1(c2c(F)ccc(F)c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587716241 JNRXDAATPVQASQ-NIVTXAMTSA-N 402.229 5.193 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=C(c3ccc(F)cc3)CC2)N1 587732858 KGCMWTUVZAUHNK-YEJXKQKISA-N 404.298 5.724 0 1 HKAF Brc1ccnc2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc12 587784723 VGNKCSSIMPCFAD-FLIBITNWSA-N 406.283 5.470 0 1 HKAF Cc1ccccc1-c1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 587851761 JIIWGMHLYOPBNN-HXPMCKFVSA-N 417.347 5.644 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(Oc2ccccc2)cc1 587868167 HNEMYFKLUSBLOQ-UHFFFAOYSA-N 411.383 5.754 0 1 HKAF CC1=C([C@@]2(C)NC3(CC3)Cc3ccc(Br)cc32)Sc2ccccc2N1 961617151 UAFPIBHIOUIPCH-FQEVSTJZSA-N 413.384 5.792 0 1 HKAF C[C@H]1Cc2ccc(Cl)cc2[C@@]12NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962953531 IZVQRUDDGFRTHG-RCDICMHDSA-N 421.890 5.446 0 1 HKAF Cc1ccc([C@]2(C3CCCC3)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1C 962976711 NZPPCIYXAIFOAD-CVDCTZTESA-N 419.899 5.268 0 1 HKAF CCC(=O)N[C@@H](C)c1ccc(CN2Cc3ccc(OCC4CC4)cc3[C@@H](F)C2)cc1 1772625643 COMIDLROXGIYLN-XDHUDOTRSA-N 410.533 5.089 0 1 HKAF O=C(Nc1ccc(Cl)c(-c2ccc3c[nH]nc3c2)c1)c1cccc(C(F)(F)F)c1 1857542880 LNZNERORTWAXSB-UHFFFAOYSA-N 415.802 6.154 0 1 HKAF O[C@@H](CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 1857635399 KYMGYOATABWYJM-VWLOTQADSA-N 420.984 5.171 0 1 HKAF CCCCCCN1C(=O)C(O)=C(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccccc1 1857767331 ICCHEGZTQNSWKO-HXUWFJFHSA-N 403.444 6.138 0 1 HKAF CC(C)=CCC=C(C)[C@@H]1CC[C@@](C)(O)[C@H]1Cc1c(O)c(Cl)c(C)c(C=O)c1O 2356324338 QIUWFFMCYFLNHN-BTCOZLQPSA-N 406.950 5.494 0 1 HKAF C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@@H](C)CO2 2356565446 CIBAPVLFORANSS-GPEBTXFLSA-N 414.630 6.002 0 1 HKAF COc1ccc2c(c1)c([C@H](C)CC(=O)O)c(C)n2Cc1ccc(Br)cc1 1486328 ZGLPWVFYTARBPC-CYBMUJFWSA-N 416.315 5.347 0 1 HKAF Clc1cc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2cc1Cl 13801501 AHIUBISCZNESPU-UHFFFAOYSA-N 411.336 5.117 0 1 HKAF COc1cc(O)c(C(=O)C=Cc2ccccc2)c(O)c1[C@@H]1C=C(C)CC[C@@H]1C(C)C 17193270 HFZKMAAAZSRYAY-WOJBJXKFSA-N 406.522 6.098 0 1 HKAF biogenic CC(C)CCC[C@@]1(c2ccccc2)CC(=O)[C@@H](SCCc2ccccc2)C(=O)O1 18023795 GLFAMZFRRNQVRB-NOZRDPDXSA-N 410.579 5.569 0 1 HKAF CN(C(=O)C1[C@H](c2ccccc2)[C@H]1c1ccccc1)[C@H]1CCCC[C@@H]1N1CCCC1 26747819 WBABSZHKMKONHN-CXSMSNRLSA-N 402.582 5.049 0 1 HKAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4Cc5oc(C(=O)c6ccccc6)cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 27419908 QQZREEIDGFPMCP-CWOMJUSXSA-N 418.577 5.829 0 1 HKAF CCc1c(C(=O)c2cccc3ccccc23)nc(SCc2ccccc2)[nH]c1=O 28635498 RTYXZWGHIHGFRG-UHFFFAOYSA-N 400.503 5.009 0 1 HKAF Cc1ccccc1-c1cccc2c1CCN2c1nc2ccc(F)cc2c(C(=O)O)c1C 29467930 MVUMJSIKCGFPAX-UHFFFAOYSA-N 412.464 6.050 0 1 HKAF C[C@]12CCC=C[C@H]1[C@H](c1ccc(Br)cc1F)N(Cc1ccccc1)C2=O 36388145 VLYJICXLKPVNJX-VCOUNFBDSA-N 414.318 5.644 0 1 HKAF C[C@H]1CC(=O)[C@](C)(CCC(=O)O)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@@H](C)CCC(=O)O)[C@@H]12 40496830 VKFJUKMHHGHLBA-ZQRFPHFHSA-N 406.563 5.026 0 1 HKAF CCOC(=O)c1ccc(OCCCCCCOc2ccc(Br)cc2)cc1 45196266 MSXWTWWOJKEVDB-UHFFFAOYSA-N 421.331 5.644 0 1 HKAF CCCC(=O)O[C@@H](C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C)c1ccccc1 45357807 KEBFXXZRYMOFQZ-CUYJMHBOSA-N 407.554 5.587 0 1 HKAF C[C@H]1CCCN1[C@H]1CC=C(c2ccc(NC(=O)OCc3ccccc3)c(F)c2)CC1 72318339 PGEBLGFMKXZZNY-AVRDEDQJSA-N 408.517 5.995 0 1 HKAF C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@@H]2CCN(C[C@@H]3CCCCO3)C[C@@H]21 73163522 RWRVBLQXKOJFGU-WXSAJPJJSA-N 406.492 5.354 0 1 HKAF CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1cccc(OC)c1 84462346 ULKDYEQKUVARHE-QGOAFFKASA-N 410.539 5.055 0 1 HKAF C[C@](O)(CCCCCCCC/C=C/C=C/c1ccccc1)C[C@@]1(C)OC(=O)C[C@H]1O 96086025 BBUUFCRHKRIKHW-XRXSLGMHSA-N 414.586 5.584 0 1 HKAF in-vitro CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O 96095558 BQXYAHWVQOZPTF-KUBAVDMBSA-N 412.658 8.890 0 1 HKAF in-vitro Cc1cncc(N2CCC(N(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)c1 103303231 XZGXLRPOTMAXIV-UHFFFAOYSA-N 412.459 5.611 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 144451718 OKEDJTRCSWQCAB-KRWDZBQOSA-N 423.520 6.080 0 1 HKAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4N(C=O)C4CCCCC4)[C@@H]3CC[C@@H]12 148243736 GWOHHTZQGRQPDS-GHYYLGMGSA-N 414.634 5.010 0 1 HKAF C[C@@H]1C=C(CCCCCCCCCCCCCCC2=C(O)[C@@H](C)OC2=O)C(=O)O1 155595742 AOIIBPKSOSMTEV-RTBURBONSA-N 406.563 6.077 0 1 HKAF NC1(c2ccc(-n3c(-c4ccccc4)nc4ccc(-c5ccccc5)nc43)cc2)CCC1 169705886 QUNYXZCMKPSHDT-UHFFFAOYSA-N 416.528 6.092 0 1 HKAF COc1cccc(N2C(=O)[C@@H]3C[C@H](CC(C)(C)C)c4c([nH]c5ccccc45)[C@@H]3C2=O)c1 195476267 QRWXHCBPNZPYER-YIFZBPKDSA-N 416.521 5.373 0 1 HKAF O=C(Nc1ccc(OCc2ccccc2)c(Cl)c1)c1cc(-c2cccc(O)c2)on1 210900332 TUBZULJEHMNQAJ-UHFFFAOYSA-N 420.852 5.532 0 1 HKAF CCC/C(=C\Cl)CCCC(=O)N[C@H](C)C[C@@H](C)C(=O)[C@H](C)CC/C=C/Cl 238769266 OEEXJHFQVSGEBK-PSLWREJISA-N 404.422 6.348 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)CCC[C@]4(C)[C@H]3CC[C@@]21C 255200740 BPZOUHWJXJNACU-PNOHJNFHSA-N 400.735 8.990 0 1 HKAF C[C@@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255219863 INBGSXNNRGWLJU-QPAURRPFSA-N 402.663 6.504 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@H]4C[C@@]45CCc4ccccc45)[nH]c3c2)cc1 586889868 NUGURMOMZAVRQC-QFQXNSOFSA-N 410.473 5.513 0 1 HKAF Oc1c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)ccc2c1CCCC2 586898168 MUDQBMGATKOKAO-UHFFFAOYSA-N 411.221 5.596 0 1 HKAF CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(OC(C)C)cc2[nH]1 586981206 FJUNTOVPPMGCIU-UHFFFAOYSA-N 417.347 6.205 0 1 HKAF Cc1cc(Br)ccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586994347 YOIXJXWNOQZEEF-UHFFFAOYSA-N 414.302 6.493 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@H](NC(=O)OCc1ccccc1)C4)-c1ccccc1C2=O 586995045 DIGUWYZTIGMECL-OAQYLSRUSA-N 420.468 5.278 0 1 HKAF Cc1cc2c(Br)ccc(-c3nc4cc(Br)ncc4[nH]3)c2o1 587003656 LNKOPXAEFVVORJ-UHFFFAOYSA-N 407.065 5.205 0 1 HKAF COc1cccc(-c2ccc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c(Cl)c2)c1 587052408 SAPSYXQZNWSWKI-UHFFFAOYSA-N 402.803 6.578 0 1 HKAF Clc1cccc2c(-c3nc4cnc5ccccc5c4[nH]3)cc(-c3ccccc3)nc12 587082028 DNNUPJUVCYWUCH-UHFFFAOYSA-N 406.876 6.647 0 1 HKAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1 587092368 FIHMFUARMQPQQG-UHFFFAOYSA-N 400.109 5.969 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(Cl)c(Br)c3)nc3cccc1c23 587102091 PTBVOHYANLZKAJ-UHFFFAOYSA-N 420.693 6.529 0 1 HKAF C[C@H](Oc1ccc(CCc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1)C(=O)O 587105600 ASPPJRADAPNWPM-INIZCTEOSA-N 423.468 5.083 0 1 HKAF O=C(CCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccc(F)cc1 587162310 JAKJDIIKSREMBN-UHFFFAOYSA-N 415.184 5.299 0 1 HKAF CN(C)CCOc1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1 587163093 GXQIQTHJWMCUCV-XMHGGMMESA-N 407.514 5.293 0 1 HKAF Cc1cccc(C)c1OC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346611 JUBFBCOQTSMFKE-RCZVLFRGSA-N 406.453 5.345 0 1 HKAF Cc1nc2ccncc2cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346793 NJNQPEKGEZQPGH-ZCYQVOJMSA-N 414.436 5.057 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]3c2ccc(Cl)cc2)c1 587358518 CQPWFNIGKXGNJR-HXUWFJFHSA-N 411.888 6.998 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1cccc(Cl)c1 587377032 FUPOXENLLVYWLB-QFIPXVFZSA-N 423.896 5.525 0 1 HKAF CC[C@H](C)Oc1c(Cl)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587418645 AKUSBEMVULYISS-OCMWWKOBSA-N 402.874 5.023 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(Cl)cc3F)o1)CC2=O 587465624 FYFYINLXZSMOKN-NRFANRHFSA-N 400.833 6.104 0 1 HKAF CCCCC[C@@H]1[C@@H](CC(=O)OC)CC[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 587477734 GGWGZVMAUIRQSP-SWWFSWNPSA-N 402.531 5.218 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC(C)(C)CC(=O)O)(c1ccc(C)cc1)CC2=O 587488421 IWRZHUJVKSSZRN-VWLOTQADSA-N 410.510 5.405 0 1 HKAF CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H]2CCC[C@H](C1)N2C(=O)OC(C)(C)C 587489926 WXKWFRBJXQKTNT-LZFXEFOOSA-N 415.530 5.001 0 1 HKAF CC[C@]1(CCc2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587495664 FCJIYEXEVYHPDK-QHCPKHFHSA-N 413.355 6.075 0 1 HKAF CCC[C@]1(c2ccc(OC(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587503278 GFVIXCGEFXWUOM-JOCHJYFZSA-N 404.428 6.125 0 1 HKAF O=C1C[C@H](c2ccc(-c3ccc(C(F)(F)F)cn3)cc2)Oc2c1ccc1c2CCCC1 587507530 MVYPSUDBKVODIF-HSZRJFAPSA-N 423.434 6.353 0 1 HKAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccncc1 587514778 JYEXZETUFFKIDN-DEOSSOPVSA-N 415.489 5.255 0 1 HKAF C[C@@]1(c2cccc(N3Cc4ccccc4C3=N)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587518676 NARIJQKZKUJIFB-NDEPHWFRSA-N 422.528 5.792 0 1 HKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1ccccc1)Oc1ccccc12 587536482 UNYXGEMTKNCBLN-IGKIAQTJSA-N 410.469 5.129 0 1 HKAF C[C@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540529 AXXLNUKWKHMFKP-WIYYLYMNSA-N 401.245 5.576 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc(C(F)(F)F)c1 587551212 YLIKVROIQBJZIF-FXAWDEMLSA-N 404.315 5.253 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(Cl)cc(Cl)c12 587551889 KVPGXGMUFWJCFY-SIKLNZKXSA-N 413.256 5.502 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCc1ccccc1)c1ccccc1 587600632 BNCCRNMINRLMRV-LSYYVWMOSA-N 422.480 5.882 0 1 HKAF C[C@]1(c2csc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611259 GAXUMTGZSHIJDP-VQIMIIECSA-N 417.280 5.093 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCSc1c(Cl)cccc12 587619929 VVWUGPDQCDECQK-PGRDOPGGSA-N 410.878 5.399 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)cc2C(F)(F)F)N1 587709742 CLCINOBVLYRSFU-XLFHBGCDSA-N 418.228 5.110 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3nccc(Cl)c3s2)N1 587855821 HAIIKEDSPRFCSV-BCTVWOGZSA-N 411.727 5.475 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCOc1ccccc1 587864235 HXJFMRFIJCEUGH-UHFFFAOYSA-N 404.388 5.077 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c2)cc1 587936148 SBCQRUGIACVLNT-UHFFFAOYSA-N 402.803 6.578 0 1 HKAF Oc1c(-c2ccccc2)cc(OCc2ccccc2)n1-c1ccnc(Br)c1 587941408 UVPIFJLSMWWODV-UHFFFAOYSA-N 421.294 5.586 0 1 HKAF CC(C)c1nn(C)c2c1[C@H](c1ccc(-c3cccc(Br)c3)s1)NCC2 962914208 DJDLOSYPBNPZQH-FQEVSTJZSA-N 416.388 5.270 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CC(=O)C(F)(F)F)(c2cc(C)oc2C)N1 962955420 SENIZEPVFSKXIQ-QKKBWIMNSA-N 404.432 5.067 0 1 HKAF CC(=O)N[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(c5cccnc5)=CC[C@H]4[C@@H]3CC[C@H]2[C@H]1C 1772603530 SAZDFZFCNCTGDS-KZTNUMFNSA-N 406.614 5.868 0 1 HKAF Clc1cc(Cl)cc(NC[C@H]2CCCN(c3nc4ccc(Cl)nc4[nH]3)C2)c1 1772605787 FDOSXCQQCNMBJH-LLVKDONJSA-N 410.736 5.247 0 1 HKAF CCCC[C@]1(c2cc(OC)c(OC)c(OC)c2)CC(c2ccc(Cl)cc2)=NO1 1772612199 SOUJHCXFVGJHTK-JOCHJYFZSA-N 403.906 5.576 0 1 HKAF CC(=CCN1[CH]N(C)c2ncnc(N)c21)CC[C@]1(C)C2=CCC[C@H](C)[C@]2(C)CC[C@H]1C 2356305489 JESXBXHCYMGUJV-RXJAJXMTSA-N 422.641 5.960 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@]4(C)C3=CC[C@@]12C)C(C)C 2356453109 OJFVQALEVDJRGR-RQIDPIAKSA-N 412.702 7.801 0 1 HKAF COC(=O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCCCCCc4ccccc4)[C@@H]4C=C[C@@H]1[C@@H]2[C@@H]43 2356694971 OVQNZDVEWYMACH-NGLCIPOMSA-N 404.594 6.229 0 1 HKAF C[C@H]1CC[C@]2(NC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 2356747419 RNRSCNSOTUEDQF-FIRKVUNCSA-N 412.662 5.253 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2C(CC=C3C[C@H](O)CC[C@H]3C)=CCC[C@@]21C)C(C)C 2356774024 PEZYBANEVGHIMB-TUDSXCHASA-N 414.718 8.335 0 1 HKAF COc1cccc(-c2nc3c(Nc4cccc(C(F)(F)F)c4)nccc3[nH]2)c1F 205214167 CMZWZZFTXFOBPU-UHFFFAOYSA-N 402.351 5.535 0 3 HKAF COc1ccc(NC(=O)Nc2cccc(NC(=O)Nc3ccc(OC)cc3)c2F)cc1 1024125 BUUBZSTUGQFJPX-UHFFFAOYSA-N 424.432 5.131 0 1 HKAF Cn1c(O)c(C2=Nc3ccccc3S[C@H](c3cccs3)C2)c(=O)c2ccccc21 3846511 ZFNCPBZTTAIJIC-FQEVSTJZSA-N 418.543 5.664 0 1 HKAF biogenic CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl 4296349 KPPBZGIBVMVMQU-MJGOQNOKSA-N 409.288 5.141 0 1 HKAF CCCC[C@@H]1Cc2cc(OC(C)=O)ccc2-c2c(C=O)c3cc(OC(C)=O)ccc3n21 13650957 UBGGMPHQLKURCA-GOSISDBHSA-N 419.477 5.259 0 1 HKAF CC(C)[C@@H]1CCN=C1C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@@H](N)CC=C4CC3=CC[C@]21C 14516457 MDFXXDNRJSIVTL-BVEJOCMISA-N 420.685 6.876 0 1 HKAF biogenic C=C[C@](C)(CC=CC(C)(C)O)c1c2c(c(OC)c3ccc(=O)oc13)C=CC(C)(C)O2 15204669 PAJXCEQIFJWZCW-RUZDIDTESA-N 410.510 5.147 0 1 HKAF biogenic O=c1[nH]c(SCCCCCCCCc2ccccc2)ncc1Cc1ccncc1 27314249 YECBGECXTSKSPT-UHFFFAOYSA-N 407.583 5.431 0 1 HKAF CCN(CC)CCC[C@H](C)Nc1ccnc(COc2cc(Cl)cc(Cl)c2)n1 28520828 SZDIGVPQDRTSSA-HNNXBMFYSA-N 411.377 5.285 0 1 HKAF Cc1cc(CCC(=O)O)ccc1-c1coc(-c2cnc(OC(C)C)c(Cl)c2)n1 38147483 AILNOENJMWSXGK-UHFFFAOYSA-N 400.862 5.170 0 1 HKAF Cc1oc2c3c(ccc2c(=O)c1C)OC[C@H]1[C@@H]3Nc2cc3ccccc3cc2C1(C)C 49110560 YALDSLVZVUEOKG-RDPSFJRHSA-N 411.501 6.016 0 1 HKAF CN1C(C)(C)C=C(CNc2ccc3c(c2)Cc2cc(Br)ccc2-3)C1(C)C 71316392 RMUCLWPDXMBLLS-UHFFFAOYSA-N 411.387 5.861 0 1 HKAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccccc3F)n2)C1 82151595 IRJNGUASXAFUFF-HDICACEKSA-N 424.564 5.170 0 1 HKAF COC(=O)c1ccc([C@@H](c2ccc(Nc3nc4ccccc4o3)cc2)n2ccnc2)cc1 89469056 XBGHZEQQURGHPO-QHCPKHFHSA-N 424.460 5.192 0 1 HKAF Clc1cc(NCc2ccco2)c2[nH]c3cnc(NCc4ccccc4)cc3c2c1 95554862 UZAKMMQUMFYACL-UHFFFAOYSA-N 402.885 6.187 0 1 HKAF Cc1ccc(-c2ccc3c(c2)[nH]c(=O)c2nc(-c4c(F)cccc4Cl)[nH]c23)cc1 96270708 YOUUXSOSPBCMRE-UHFFFAOYSA-N 403.844 5.839 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](OC(=O)c3cccc(Cl)c3)CCC[C@@]21C 96914349 YATFPZAWIWVAQM-BZTZPJLGSA-N 405.022 7.544 0 1 HKAF CC(=O)NCCc1coc2cc(Cc3cccc(C(F)(F)F)c3)c3c(c12)CCCO3 103233505 RGGVVJRPCVNZRP-UHFFFAOYSA-N 417.427 5.046 0 1 HKAF [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@H](C)OC(=O)CC)c(C)c1Cl 143537175 CGOHJXPIZUVKMF-VBKZILBWSA-N 424.888 5.744 0 1 HKAF COc1ccc(-c2nc3ccc(/C=C/C(=O)O)cc3nc2-c2ccc(OC)cc2)cc1 144548601 BAHGGPDSMRDUMK-LNKIKWGQSA-N 412.445 5.079 0 1 HKAF COc1cccc(OC)c1[C@H]1CCC(=O)N1Cc1cccc(Oc2ccccc2)c1 167317304 MDWAKJNHSDZNKH-OAQYLSRUSA-N 403.478 5.360 0 1 HKAF O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)cc2)CC1 168379999 XCIVGPGSJPAWCB-HDICACEKSA-N 415.461 5.008 0 1 HKAF Cc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2COC(c2ccccc2)c2ccccc2)N3C)cc1 195213059 PZCLLOMRKKUTII-ZZXHUEHTSA-N 411.589 6.368 0 1 HKAF Cc1cccc(Nc2cc(-c3ccccc3)nc(SCc3nc4ccccc4[nH]3)n2)c1 299828949 OVHOIPMUSUVXKU-UHFFFAOYSA-N 423.545 6.364 0 1 HKAF O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OC/C=C/c1ccccc1 473149117 HKQWGQKRXXFZLY-JXMROGBWSA-N 412.316 6.536 0 1 HKAF Cc1c(Cl)ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 587001483 YLNKGIXUCUURJD-DJWKRKHSSA-N 405.679 5.229 0 1 HKAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cccc(C(F)(F)F)c2[nH]1 587003250 QDLYRWYPTCOIPS-ZDUSSCGKSA-N 423.236 5.068 0 1 HKAF Fc1cnc(Br)c2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc12 587016511 XJQPCNKELQFVOD-UHFFFAOYSA-N 409.671 5.303 0 1 HKAF Cc1nc(COc2cccc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2)cs1 587020722 XHTSGSZIYZCRQE-UHFFFAOYSA-N 407.392 5.732 0 1 HKAF CSc1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587028682 YWGIWJYCQZLVPE-YSGRDPCXSA-N 411.596 5.421 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)cc(F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 587028728 ZPVAVQVZOUQKKH-KKXDTOCCSA-N 417.937 5.492 0 1 HKAF Nc1c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)sc2cc(Br)ccc12 587032964 WJFHLBRIYKIDCD-UHFFFAOYSA-N 414.115 5.491 0 1 HKAF OCc1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 587064059 LHNPXFGZZAQJIF-UHFFFAOYSA-N 417.896 5.409 0 1 HKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587070066 POOGVFQQLAYBFY-VIFPVBQESA-N 421.678 5.054 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc3ccccc3cc2[nH]1)c1cccc(Cl)c1 587072002 RSBUUJQDALXZRD-LJQANCHMSA-N 421.928 6.178 0 1 HKAF COc1cccc(Br)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587101384 GJGFKPXEDJJMMU-UHFFFAOYSA-N 416.274 5.884 0 1 HKAF Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587104072 RIUNQOXLKUHAEU-UHFFFAOYSA-N 415.467 7.228 0 1 HKAF CCCc1c(-c2ccc(Cl)cc2Cl)nc2cccc3c2c1-c1ccccc1C3=O 587104095 NSWSBURSKWLBPK-UHFFFAOYSA-N 418.323 7.373 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@H]2c3nc4cccc5c4c(c3[C@H]2C1)-c1ccccc1C5=O 587106135 LVBCGVVJEVSAGZ-QAPCUYQASA-N 412.489 5.268 0 1 HKAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587109698 SFXHLVDQKJIMJW-UHFFFAOYSA-N 414.408 6.098 0 1 HKAF FC(F)(F)Sc1ccc(/C=C\c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 587123539 DKFLFOUGXHHENS-UTCJRWHESA-N 422.781 7.017 0 1 HKAF Cc1cc(Br)c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1F 587137800 LUTAFNRFNYTNCT-UHFFFAOYSA-N 407.592 6.112 0 1 HKAF Fc1ccc(F)c(SCc2cccc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c2)c1 587141231 OCDVHGWUMMWLMA-UHFFFAOYSA-N 406.379 6.218 0 1 HKAF Cc1ccc2c(ccc3nc(Cc4csc5nc(-c6ccc(F)cc6)cn45)[nH]c32)n1 587165738 BHBSZKHWHGHSPY-UHFFFAOYSA-N 413.481 5.526 0 1 HKAF CCc1ccc(-c2nc3cccc4c3c(c2CCC(=O)O)-c2ccccc2C4=O)cc1 587206512 LFHIASHDHSBEOT-UHFFFAOYSA-N 407.469 5.693 0 1 HKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cccc(Br)c2[nH]1 587247133 HRKFLHPNYQEHQQ-UHFFFAOYSA-N 408.299 5.740 0 1 HKAF CC(C)(C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 587354976 PAAIDJQESPJZTK-BVAGGSTKSA-N 404.481 6.017 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC[C@@H]3c2nccn2C)c1 587364019 YVGVEZMKJDJEPF-IBGZPJMESA-N 409.489 5.858 0 1 HKAF COc1cccc(-c2cc(-c3c(C)sc4ccccc34)nc3c2oc2ccccc23)c1 587367174 URGMDHKEXWBXEH-UHFFFAOYSA-N 421.521 7.847 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(C)cc4C)nc4ccccn14)[C@@H](C2)C3=O 587436615 SEBIFIYCBDKCJM-SIBVEZHUSA-N 410.473 5.115 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(-c4ccccc4F)sc31)CC2=O 587466176 JDZJYSLRUSBINZ-DEOSSOPVSA-N 423.509 5.804 0 1 HKAF O=C1C[C@@H](c2cc(Cl)ccc2OCc2ccccc2)Oc2c1ccc1c2CCCC1 587497302 AEABSDNCASGBLA-VWLOTQADSA-N 418.920 6.504 0 1 HKAF Cc1ccc(C)c([C@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587509731 WRVYJXNMLHPVTK-HHHXNRCGSA-N 416.948 6.745 0 1 HKAF C[C@H]1CCCCN1CCOc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587517522 OYCUWKFDHVNVMW-SIBVEZHUSA-N 419.565 5.525 0 1 HKAF O=C1C[C@@H](c2ccc(Sc3ccccc3Cl)nc2)Oc2c1ccc1c2CCCC1 587530646 CZPKUKUWFRXZTJ-NRFANRHFSA-N 421.949 6.472 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)c(O)c1Cl 587541922 GSXVBEHPCWPAEC-QRWLVFNGSA-N 403.217 5.108 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1c2ccc(Cl)c1Cl 587551549 GSLYUVBQUTWPJG-AVRDEDQJSA-N 413.256 5.502 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cnc(Cl)cc2c1 587552065 NATGVAUUCFDASD-NFBKMPQASA-N 403.821 5.297 0 1 HKAF Cc1ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)nc2c1 587552138 NUDYBYWKJVNQHE-REWPJTCUSA-N 417.848 5.605 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(F)c2F)o1 587568004 JJNLADJKHQRSKE-HYBUGGRVSA-N 420.367 5.633 0 1 HKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C1CCCC1 587579995 WMDBUXSPPJHASA-RDGATRHJSA-N 403.478 5.629 0 1 HKAF CCC[C@H](OC)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587597621 VFNLGXAKUFUAAA-AMZDPNTKSA-N 418.489 5.757 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(Cc1ccccc1)CC2 587600794 BMTNNNIQWGWEJM-CXSPSCEVSA-N 400.474 5.526 0 1 HKAF CC(C)(C)c1ccc2c(c1)[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601551 DNDNDZBPIDEQHW-KCWPFWIISA-N 414.501 5.883 0 1 HKAF CC(C)CCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602854 ZIFJPKBUSXQAJA-ZEQKJWHPSA-N 402.490 6.076 0 1 HKAF Cc1ccc(C)c2sc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nc12 587660929 KCLPLAYVMZXKEL-UHFFFAOYSA-N 401.466 5.418 0 1 HKAF Cc1cc(F)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587720559 SLJHBYNGTOEJDI-MLCYQJTMSA-N 400.694 5.487 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccncc3)cc2F)N1 587725269 OIGPYTVPVVBFBQ-LAJNKCICSA-N 415.281 5.413 0 1 HKAF Cc1cncc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 587784897 VUYFTXPPPBRHNR-UHFFFAOYSA-N 405.501 6.103 0 1 HKAF CCCCOc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587798573 YZQLKPCJCNUUDP-SPLOXXLWSA-N 406.339 5.565 0 1 HKAF COc1ccccc1C[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804876 CTBQGYVMPYFFDL-LHSJRXKWSA-N 406.339 5.225 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC2CCCC2)(c2ccccc2)N1 587814116 GCZGQJIPIVNCNV-IVZQSRNASA-N 402.351 5.946 0 1 HKAF C/C=C\[C@]1([C@@H]2C(C)=CCCC2(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587816264 VYDICNKCEDBQCE-IJKGFWOCSA-N 406.383 6.276 0 1 HKAF Cc1cccc([C@@H]2CC(=O)C[C@@]3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)c1 587816845 DZIVVPUBJKYNJA-UZSYQUHHSA-N 416.334 5.163 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@@](C)(c3ccccc3)CC2)N1 587816953 GIQMMOQOLSMSHU-UJUVCNOISA-N 400.335 5.626 0 1 HKAF COc1ccc2occ([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587825859 BAUKAUQPHHTIAV-BIBXISHDSA-N 404.279 5.141 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3oc4ccccc4c3c2)N1 587833777 OWJVPRQYHXKBKW-YTEVENLXSA-N 410.286 6.111 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](CC)c1ccccc1 587858514 IIISQHSZNJIANL-MRXNPFEDSA-N 403.309 6.090 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1oc2ccccc2c1C 587865062 UCUSSFFNFMIYOP-UHFFFAOYSA-N 414.383 5.711 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2c(s1)CCCC2 587866800 JXVZBYKPLVXPKO-UHFFFAOYSA-N 420.456 5.596 0 1 HKAF C[C@@H](Cn1nc(C(F)(F)F)cc1C1CC1)c1nc(-c2cccc(Cl)c2)cs1 587921315 UIMUSQBAILWBCK-NSHDSACASA-N 411.880 6.360 0 1 HKAF CC(C)c1ccc(-c2cc(O)n(CC3CCN(Cc4ccc(F)cc4)CC3)c2O)cc1 587947237 UEVVAIWINVBQOP-UHFFFAOYSA-N 422.544 5.741 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccnc(N)c2[nH]1 587958167 BFFRMQOVKBDPID-UUQHCRCUSA-N 418.629 7.394 0 1 HKAF CC[C@H](NC(=O)c1c(O)c(-c2ccccc2OC)nc2ccccc12)c1ccccc1 653865387 ZUXSXXLMTAKNIE-FQEVSTJZSA-N 412.489 5.497 0 1 HKAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@]2(c1cccc(C(F)(F)F)c1)C1CC1 962698746 JLTDJISIJZQCMN-XMSQKQJNSA-N 421.503 5.862 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2cccc(OC)n2)(c2ccc(C)cc2C)N1 962958134 OSXFUUMCBGBDAE-PPHZAIPVSA-N 411.549 5.405 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1cc2ccc(N(CC)CC)cc2oc1=O 963222455 BKPKRRDMPYUIOE-UZTOHYMASA-N 418.581 5.559 0 1 HKAF CC(C)c1ccc(-c2c[nH]cc2[C@@H](c2ccc(Cl)cc2Cl)n2ccnc2)cc1 1857553053 PKEJTUBRRYVHJC-HSZRJFAPSA-N 410.348 6.946 0 1 HKAF Oc1ccc(CCOCCCCCN=c2c3c([nH]c4ccccc24)CCCC3)cc1 1857586317 AZMKNSQZSVBTKB-UHFFFAOYSA-N 404.554 5.083 0 1 HKAF CCC/C=C/C[C@@H]1CC=CC=C(C)C=CC=C[C@H](O)CC=C(C)C=CC=CC(=O)N1 1857627554 UMYFIUGQWGBKLX-SYDLEVAESA-N 407.598 6.046 0 1 HKAF CCCCC=CCCCCCCCCCCC[C@@H]1CC(=O)c2c(O)ccc(O)c2O1 2356340873 ZNRVGESJHSZJBE-OAQYLSRUSA-N 416.602 7.469 0 1 HKAF Cc1c2c(cc3c1[C@H](O)C[C@]1(C)[C@@H]3CC[C@@H]1[C@H](C)C=C[C@@H](C)C(C)C)CC[C@H](O)C2 2356393679 PWOLTSTXQZMPQX-ORXXNTMISA-N 410.642 6.266 0 1 HKAF CC(C)CC[C@H](C)[C@]1(C)CC[C@]2(C)C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@H]1[C@@H](O)C3 2356541188 QHISKWZQHJJWLW-YCOBDBJPSA-N 416.690 6.894 0 1 HKAF Cc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccccc2C(F)(F)F)cc1 95567446 BPNAZNDIVKMISR-UHFFFAOYSA-N 416.446 7.073 0 3 HKAF CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCC[C@H]4C)cc3)cc2)CC1 13488943 FOYKBJJFKMBMBU-JOCHJYFZSA-N 420.597 5.479 0 1 HKAF CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccc(Cl)c(Cl)c2)cc1 13814334 GLUXRABXTHAEQS-UHFFFAOYSA-N 417.380 5.661 0 1 HKAF CCCCCN(CCCCC)CCCOc1ccc(-c2cn3cccc(C)c3n2)cc1 13819562 PBJPJNRSONFFFQ-UHFFFAOYSA-N 421.629 6.761 0 1 HKAF COC(=O)c1nc(-c2cc(Cl)cc(Cl)c2)c(-c2cc(Cl)cc(Cl)c2)[nH]1 25976778 BINCZQORKNALFX-UHFFFAOYSA-N 416.091 6.144 0 1 HKAF O[C@@H](c1cc(-c2ccc(Cl)cc2)nc2c(C(F)(F)F)cccc12)[C@H]1CCCCN1 27523229 SVTJOSIFLMVFJH-NQIIRXRSSA-N 420.862 5.750 0 1 HKAF OC1(c2ccccc2)CCN([C@@H](c2ccccc2)c2cccc(C(F)(F)F)c2)CC1 28708187 CXKJTTFMVSISJF-QHCPKHFHSA-N 411.467 5.778 0 1 HKAF Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C(C)C)nc1)CC2 29547617 WGXXJWXSMDDCJM-UHFFFAOYSA-N 422.916 5.949 0 1 HKAF CCN(CC)Cc1cccnc1-c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 38149563 OQVXQVLNQXKKKJ-UHFFFAOYSA-N 415.581 6.140 0 1 HKAF CO[C@]1(CCC2CCCCC2)CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 38309000 GNDHVOPOCXMQSU-JLKUKDNHSA-N 414.674 7.344 0 1 HKAF O=C(O)CCC[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 49013746 YTDWKPSJWUXUKF-QFIPXVFZSA-N 400.906 5.161 0 1 HKAF Cc1cncc(Oc2ccc(NC(=O)Nc3cc(Cl)nc4ccccc34)cc2)n1 64510463 CPYGFDYKFARTQT-UHFFFAOYSA-N 405.845 5.423 0 1 HKAF CC(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 64624755 VDKSIHRRZLCAGD-HQDRACASSA-N 420.678 5.410 0 1 HKAF in-vitro CC(C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@](C)([C@@H]4CC[C@@H](O)C(C)(C)[C@H]4C)[C@H](C)[C@@]3(C)CC[C@]12C 69481987 BICHKMMUIQBJJU-KTIPYDGZSA-N 416.734 7.961 0 1 HKAF biogenic,in-vitro CC(C)(C)c1ccc(/C=C/c2ccc(-c3ccc(Br)s3)s2)cc1 72170613 HBVLZUNQVJZELT-RMKNXTFCSA-N 403.410 7.707 0 1 HKAF COc1cc2nc(NCc3ccc(F)cc3)nc(NCCC(C)(C)C)c2cc1OC 82129267 TUYYFDZLRLNTOJ-UHFFFAOYSA-N 412.509 5.246 0 1 HKAF CCCOCCCNc1ncc(-c2ncc(CC)s2)c(-c2ccccc2F)n1 82175007 FCZMVWIXVHQRJW-UHFFFAOYSA-N 400.523 5.197 0 1 HKAF Brc1ccc(Cn2ccc3nc(-c4ccc5ccccc5c4)nc-3c2)cc1 100068206 VMTMTXMTSZIGFZ-UHFFFAOYSA-N 414.306 6.014 0 1 HKAF O=C(CSc1nnccc1-c1cccc2ccccc12)N1CCCc2ccccc21 103300210 RSIAOMGHSNTPGJ-UHFFFAOYSA-N 411.530 5.368 0 1 HKAF COc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nn(-c4ccccc4)c(O)c32)c1 103547434 KLUDQDJQBCURGV-HXUWFJFHSA-N 415.493 5.437 0 1 HKAF CCc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1 104007850 DRFMDOVIIUGFST-CVDCTZTESA-N 423.553 5.416 0 1 HKAF CCS(=O)(=O)N(Cc1ccc(F)c(C(F)(F)F)c1)c1cc2ccccc2s1 115228546 NNZNCTVRKSEVGZ-UHFFFAOYSA-N 417.449 5.416 0 1 HKAF CC[C@H](C)C(=O)[C@]12C3=C(CC=C(C)C)C[C@H](CC=C(C)C)[C@@]1(C)CC[C@H]2C(C)(C)O3 140017936 UZFXHYXGPYVMSV-CPKNJQBZSA-N 412.658 7.800 0 1 HKAF CC[C@H]1C[C@@H](c2c(OC)cccc2OC)N(Cc2ccc(OC(F)(F)F)cc2)C1=O 166917254 AOCDGVABEPVMBN-RDJZCZTQSA-N 423.431 5.102 0 1 HKAF CC(C)c1ccc(NC(=O)[C@H](CC(=O)c2ccc(C(C)C)cc2)n2ccnc2)cc1 169333765 WSOREAIXILTVLC-QHCPKHFHSA-N 403.526 5.583 0 1 HKAF COC(=O)[C@@H]1[C@H]2CC[C@@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(C)s2)cc1)C3 169369654 WNGKSXJKUCQJJD-AWLOJEOQSA-N 407.579 5.400 0 1 HKAF Cc1ccc2ccccc2c1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 586884172 QKTKAGCMHJPIBR-UHFFFAOYSA-N 421.216 6.353 0 1 HKAF Oc1cccc(CCCCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 586896729 WGEHWDFSDAVCAO-UHFFFAOYSA-N 402.338 5.872 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(Cl)ccc1SCC3 586992419 BHSGNIKMNIQMTQ-UHFFFAOYSA-N 415.901 6.120 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@H]4c1ccccc1Cl)-c1ccccc1C2=O 586993987 SWCVYMIYIPFLEF-FQEVSTJZSA-N 423.899 6.055 0 1 HKAF Clc1ccc(Br)nc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587005350 UXHASMYEKYYYIV-UHFFFAOYSA-N 400.663 5.833 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c2)c1 587051234 ZMJZZQZCMZSXMZ-UHFFFAOYSA-N 401.680 6.670 0 1 HKAF Clc1cnc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c1Cl 587081653 SJTVOZNRMBPOCA-UHFFFAOYSA-N 415.671 5.295 0 1 HKAF FC(F)(F)c1cccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 587114154 WTHXMKRZQUSFRD-UHFFFAOYSA-N 409.127 6.030 0 1 HKAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(SC)cc4[nH]3)cc2)cc1F 587147244 IDDQSOSMIZFTNC-UHFFFAOYSA-N 419.525 5.431 0 1 HKAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cnc5ccccc5c4[nH]3)cc2)cc1F 587147554 PREXIMHIOAAVLS-UHFFFAOYSA-N 424.479 5.258 0 1 HKAF CC(C)[C@@H](c1nc2cc(Cl)cc(Cl)c2[nH]1)N(C)C(=O)OCc1ccccc1 587198239 VFNCIQRFJYDIKJ-SFHVURJKSA-N 406.313 5.835 0 1 HKAF CNc1cccc(-c2cccc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)c2)c1 587235543 OEYIEQADMYOLBH-UHFFFAOYSA-N 422.282 5.399 0 1 HKAF Cc1ccc(NC2(c3nc4cc(Br)cc(C(=O)O)c4[nH]3)CCCC2)cc1 587236704 FTCOIWBQLCKSIC-UHFFFAOYSA-N 414.303 5.213 0 1 HKAF CC(C)[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349783 VPONMCBHFDVOEJ-AOYPEHQESA-N 415.464 5.923 0 1 HKAF CCOc1ccc([C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587352472 OLWSXHKVXSWGGR-AHWVRZQESA-N 418.464 5.594 0 1 HKAF CCCCC[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358584 WSWRCLZLZQKKKY-RSXGOPAZSA-N 420.480 6.072 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccccn2)(c2cccs2)[C@H]1c1ccc(F)cc1 587374619 KYQSCQGQONMTGV-UPVQGACJSA-N 417.461 5.291 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C(=O)OC(C)(C)C)c3cc(C)ccc13)O2 587391571 SHHGIOWYBRCJHS-OAQYLSRUSA-N 406.482 5.330 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cc4c(cc3nc1Cl)CCC4)CC2=O 587463396 YRYNUUJSZSGTNU-JOCHJYFZSA-N 407.897 5.742 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3cccc(C(F)(F)F)c3)c1)CC2=O 587464500 RPIRJGHILKBTPN-HXUWFJFHSA-N 416.399 5.256 0 1 HKAF O=C1C[C@@H](c2ccc(F)c(OCc3ccccc3)c2)Oc2c1ccc1c2CCCC1 587508491 VXTKEZQQWRWCRH-DEOSSOPVSA-N 402.465 5.990 0 1 HKAF COc1ccc([C@]2(c3ccccc3OC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525603 QSZCWJZOZXFTDT-MHZLTWQESA-N 414.501 5.492 0 1 HKAF CC(C)(C)c1csc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)n1 587535226 JJJWBSWLPVJGSG-JOCHJYFZSA-N 417.574 6.693 0 1 HKAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 587539129 HVBTVPUKLFHMNL-NQIIRXRSSA-N 411.251 5.166 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccs2)cc1F 587553281 GGQLWLAHIAVHSV-URXFXBBRSA-N 418.445 5.963 0 1 HKAF CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(C)C 587592828 HLRCDNQMOSUBKN-WIOPSUGQSA-N 420.461 5.281 0 1 HKAF C[C@]1(c2ccc(N3CCCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596529 RQEMNZKVCCUUMR-JYFHCDHNSA-N 415.489 5.260 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C(=C\N(C)C)c2cccc(Cl)c2)N1 587696840 FZMXFZRIBGTEAS-FNACSESGSA-N 423.757 5.420 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2cccs2)(C(F)(F)F)N1 587707534 VERCSMJXNHINDC-XTBMQEOPSA-N 420.269 5.655 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)(F)F)cc2F)N1 587710985 IJIMTBWQVZMVRO-ZKANADHPSA-N 406.192 5.370 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccncc2)(c2ccccc2)N1 587780290 ZVXXCBBIBQEEEG-QRQCRPRQSA-N 411.318 5.004 0 1 HKAF CCCc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC 587802440 RYSWJSXENRVFFV-ZSEKCTLFSA-N 406.339 5.563 0 1 HKAF CO[C@@H]1C[C@H](c2ccccc2)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587812287 QCANYHXTBJMFRC-RKGQZRNOSA-N 418.350 5.300 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3cccs3)n2)N1 587852400 KTNMHVDPIHBTHB-ABKXIKBNSA-N 409.349 5.397 0 1 HKAF Cc1ccccc1-c1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587855364 VEAZWXJBMSOMGR-HXPMCKFVSA-N 417.347 5.644 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(-c2ccccc2)cc1 587862541 QYQMYFMZGPKIFV-UHFFFAOYSA-N 422.406 5.933 0 1 HKAF COc1cc(/C=C/C(=O)N(Cc2cccc3[nH]c4ccccc4c23)C(C)C)ccc1O 653708438 CBEQHARBUNEXIY-WYMLVPIESA-N 414.505 5.486 0 1 HKAF CC(C)(C)[C@@]1(c2ccccc2C(F)(F)F)NCCc2cc(-c3ccccc3)ccc21 962666556 KKXVBKTUWLZZQA-RUZDIDTESA-N 409.495 6.808 0 1 HKAF Cc1cccc([C@]2(c3ccc(Cl)c(Cl)c3)NCCc3nc4ccccn4c32)c1 962985444 OZPLMZGDFQTDRO-HSZRJFAPSA-N 408.332 5.387 0 1 HKAF FC(F)(F)[C@]1(C(Cl)(Cl)Cl)c2ccsc2CCN1Cc1cccnc1 962998784 QGBALAAGSXYDSK-CYBMUJFWSA-N 415.695 5.329 0 1 HKAF CC[C@H](C)[C@@H]1CCCC[C@]12N[C@H](C(=O)O)Cc1ccc(Cl)c(C(F)(F)F)c12 963184345 RCYFCRDDODMVCX-DCFBYQPESA-N 403.872 5.389 0 1 HKAF CCOC(=O)CCc1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1 1772579064 VOXDKJVPZYMAPG-UHFFFAOYSA-N 415.415 5.402 0 1 HKAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(COC(=O)C(C)C)=CC[C@@H]1C(C)(C)CCC[C@]12C 2356509787 AUTYPXDJUSQKDU-MNVNNWCQSA-N 420.590 5.219 0 1 HKAF COc1cc2c(cc1O)[C@H]1C[C@@H](C[C@H]3CCCC[C@H]13)OC(=O)C=Cc1ccc(O)c-2c1 2356777820 DRUCJGHRVXTYRK-YRXWBPOGSA-N 420.505 5.396 0 1 HKAF CC(C)[C@@H](O)CC=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356842202 MLUDFMIOIVFQGZ-JAFQAJIXSA-N 414.674 6.526 0 1 HKAF CC1=CCC[C@@H]2[C@@](C)(CC/C(C)=C/Cn3c[n+](C)c4c(N)ncnc43)[C@H](C)CC[C@@]12C 8584444 NALGSOQQUZLOIK-FGOPRVDBSA-N 422.641 5.363 0 3 HKAF in-vitro COc1ccc(Br)cc1-c1onc(C(C)(C)C)c1C(=O)N[C@H](C)C(C)C 775993 BYWMQCZRVVNDPJ-GFCCVEGCSA-N 423.351 5.185 0 1 HKAF COc1cc(N[C@@H](C)CCCN)c2nccc(C)c2c1OCCCCc1ccccc1 5931478 LBHZSCXJLORTAR-FQEVSTJZSA-N 421.585 5.493 0 1 HKAF COc1ccc(-c2ccc(/C=C/[C@@H]3[C@@H]4[C@@H](C)OC(=O)[C@@H]4C[C@@H]4CCCC[C@H]43)nc2)cc1 13673154 BHDWIWHASKLYGV-AAWXZMRRSA-N 417.549 5.774 0 1 HKAF CCC(=O)OC1=C(c2ccc(OC)cc2)Sc2ccc(Cl)cc2-n2cccc21 13739861 RYRWECLSAIUNTF-UHFFFAOYSA-N 411.910 6.024 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCCC[C@@H](P(=O)(O)O)[P@](C)(=O)O 13742049 HLSKAJYMVHWBBB-LGPAEFAASA-N 420.467 6.370 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1c(F)cccc1F)Oc1ccccc1-3 13781711 REAASUOBXJQINY-QRVIBDJDSA-N 401.456 7.130 0 1 HKAF O=C(O)c1ccc2c(c1)[C@H](SCCn1cnc3ccccc31)c1ccccc1CO2 27079887 JWWLSTKCEZOZMX-HSZRJFAPSA-N 416.502 5.150 0 1 HKAF C[C@@H](C(=O)OCCc1ccccn1)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27559974 MSITXWHXNVQEKN-YVWKXTFCSA-N 409.551 5.066 0 1 HKAF CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5c(c4)CCC5)c3c2C)cc1 28567956 RZPZZCPORMPUHF-UHFFFAOYSA-N 412.537 5.977 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@H]1C[C@H]3O 33820981 UROPIWALBBMYRP-LHUVMQPUSA-N 420.678 5.554 0 1 HKAF CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccccc12 40866107 ZDORZWQJMOTQBL-UHFFFAOYSA-N 400.453 5.205 0 1 HKAF CC1=C(c2nc3c(C)cccc3[nH]2)[C@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 45317141 JZWZOVRMFCFJOE-FQEVSTJZSA-N 410.308 5.821 0 1 HKAF CC1=C[C@H](COc2ccccc2)O[C@]2(C1)C(=O)N(Cc1ccccc1)c1ccccc12 66148966 JEFAFCFJFXXLPZ-KCWPFWIISA-N 411.501 5.243 0 1 HKAF CCCCCCN1C[C@H](O)[C@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccccc1 72135099 GMPZFDPIEMHNIC-SDHSZQHLSA-N 422.548 5.014 0 1 HKAF O[C@@](c1ccc(Cl)cc1)(c1ccc(C(F)(F)F)cc1)c1cnc2ccccc2c1 72186311 CJFYTSIORJIKLY-JOCHJYFZSA-N 413.826 6.191 0 1 HKAF CC(C)CN(C)C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccccc1 82132339 IKCACZKTUCWFDF-UHFFFAOYSA-N 408.933 5.137 0 1 HKAF CCCCNC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc(F)cc1 82136220 QPLFJHOSEIUBAL-UHFFFAOYSA-N 412.896 5.078 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccc(Cl)cc2)cc1)C3 100810870 VPTOTYACZAFVTR-VUFXPRFFSA-N 421.968 5.684 0 1 HKAF c1ccc(CN2[C@H]3CC[C@H]2CC(CCOC(c2ccccc2)c2ccccc2)C3)cc1 100825429 UOILZIPMBMUBNA-NSOVKSMOSA-N 411.589 6.626 0 1 HKAF CCC[C@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1cccc(OC)c1)CCCC3 113123697 RBVCIOVXCDPCPA-SFHVURJKSA-N 409.551 6.127 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118923939 PZELUKPNJYWGOY-LFHHJJBJSA-N 400.691 7.635 0 1 HKAF COc1ccc(CCN(C)CCN2c3ccccc3CCc3ccccc32)cc1OC 137807402 FYGJGKMSRFWBRA-UHFFFAOYSA-N 416.565 5.115 0 1 HKAF O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4ccc(F)c(F)c4)c(F)c3F)nc12 144714127 NWKHEKJGLCAMKL-UHFFFAOYSA-N 422.284 5.430 0 1 HKAF C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2c1cc(C(F)(F)F)[nH]n1 195317966 VDGOOKRFIJJCSX-VVQCEJHCSA-N 410.524 5.916 0 1 HKAF CCn1c(C2Cc3ccccc3C2)nnc1[C@@H](C)CC(=O)Nc1cccc2ccccc12 219626418 XGFXJNFHRPTVAR-SFHVURJKSA-N 424.548 5.466 0 1 HKAF COc1ccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(NC(C)(C)C)n3c2)cc1 473112984 GYSSXADWKUUIGK-UHFFFAOYSA-N 405.929 6.541 0 1 HKAF CCC(C)(C)c1ccc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)cc1 586881878 PIHKSCBAVUTRPP-UHFFFAOYSA-N 411.265 6.699 0 1 HKAF O=[S@@](Cc1nc2cc(Cl)c(Cl)cc2[nH]1)C(c1ccccc1)c1ccccc1 586957747 BDFOKBNZLKMLHW-MHZLTWQESA-N 415.345 5.908 0 1 HKAF COc1cccc(-c2ccc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c(Cl)c2)c1 587051344 CBQFFWADIJIUQI-UHFFFAOYSA-N 403.696 6.866 0 1 HKAF FC(F)(F)Oc1ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2c1 587071585 OKFWTLLOHVLCGV-UHFFFAOYSA-N 424.209 6.497 0 1 HKAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1 587083126 HNGIAMJIPNNMMS-UHFFFAOYSA-N 400.265 5.191 0 1 HKAF Clc1cccc(C2(c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)CC2)n1 587085877 LYHQGIAWRPQYFU-UHFFFAOYSA-N 402.910 5.968 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(F)cnc2[nH]1 587086019 BUCFAJCEXXHKAU-SREVYHEPSA-N 402.260 5.127 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)-c1nc2c(C)ccc4c2c(c1CC3)-c1ccccc1C4=O 587098132 VDFMRIIJEVSTOT-UHFFFAOYSA-N 400.481 6.310 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(F)c(Br)c3F)nc3cccc1c23 587103193 HHIOVMGQGIDFSC-UHFFFAOYSA-N 422.228 6.154 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(OCC(F)(F)F)cc3)nc3cccc1c23 587104632 VVDNHROMFCHEGP-UHFFFAOYSA-N 405.375 6.054 0 1 HKAF Cc1c(-c2ccc(Oc3ccccc3)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587105972 COOODGWHYCRZJC-UHFFFAOYSA-N 413.476 7.214 0 1 HKAF Cc1ccc(/C=C\c2nc3cc(Br)c(Br)cc3[nH]2)cc1F 587146222 DWAVCUWKZVATQL-PLNGDYQASA-N 410.084 5.706 0 1 HKAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(C)ccc(C)c3[nH]2)c1C 587165516 CNMBNZCPNRQSSN-UHFFFAOYSA-N 419.500 5.515 0 1 HKAF CC(C)[C@H](c1nc2cc(Br)cc(Cl)c2[nH]1)N(C)C(=O)OC(C)(C)C 587198139 UOZDDTFPEYCJJM-CQSZACIVSA-N 416.747 5.543 0 1 HKAF COc1cccc2c1[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355703 ZJIPFYBUDCLJEL-UKILVPOCSA-N 404.437 5.131 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(C(C)(C)C)c(O)cc1O)O2 587402700 BINGRQNZDDUEIB-SANMLTNESA-N 417.505 5.195 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)[C@@H](C2)C3=O 587418859 DKROJJNIFUNBIY-SJCJKPOMSA-N 402.290 5.222 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC(F)(F)F)c(Cl)c1)CC2=O 587463966 DRCKGQNQMICWTE-LJQANCHMSA-N 414.807 5.777 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(-c3ccccc3F)cc1)CC2=O 587468317 UAQKMSKJSSRJML-SANMLTNESA-N 404.481 6.422 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(SCc3ccccc3)nc1)CC2=O 587489053 AOWRGVOJZNXTOZ-OAQYLSRUSA-N 406.507 5.134 0 1 HKAF COc1ccc([C@]2(c3cccc(Cl)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497569 BRIAHHDXUNZEJH-SANMLTNESA-N 418.920 6.136 0 1 HKAF O=C1C[C@]2(CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587509971 UVVBKWMTWIRBCV-QPPBQGQZSA-N 414.467 6.646 0 1 HKAF Cc1nc2ccc(-c3ccccc3)cn2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587515745 QMTSYTLSYUYEFD-XMMPIXPASA-N 408.501 5.895 0 1 HKAF C[C@@]1(c2ccccc2OC(=O)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587526620 VWRSQPVJQBDARZ-MHZLTWQESA-N 412.485 5.665 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531306 YCOYJJZNIGLDAM-HHHXNRCGSA-N 412.485 5.481 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ccnc(Cl)c2c1 587551516 GEKXJHNCEAXLIZ-UGKGYDQZSA-N 403.821 5.297 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OC(F)(F)F)c1F 587554101 HDWZQVUUDMWZGE-OXJNMPFZSA-N 420.314 5.133 0 1 HKAF O=C(c1ccc(Cl)cc1Cl)c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587628233 JOVHIHHRIZFHKW-UHFFFAOYSA-N 410.581 6.517 0 1 HKAF CCOc1ccc(-c2nn(-c3ccc(C)cc3)c(=O)c3ccccc23)cc1OCC 587669351 KDIMIKWFMQJPKF-UHFFFAOYSA-N 400.478 5.159 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cc(O)cc2Cl)N1 587698588 YYZJWBRUCRWZLB-GYKQLYQFSA-N 405.094 5.224 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)cc(Cl)c2)N1 587698823 JUNXLGQTZXLMHB-XLFHBGCDSA-N 403.122 5.693 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3nc(Cl)ccc32)N1 587703218 GIZKTSOTMWROQO-GIPWTMENSA-N 423.757 5.387 0 1 HKAF Cc1cc(C)cc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587711703 YATZCJXHSZFFPU-XIKOKIGWSA-N 416.256 5.545 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(OC(F)(F)F)c2)N1 587723221 VSPWEUVQBHDYAG-PWJLMRLQSA-N 422.191 5.250 0 1 HKAF CC(C)[C@@]1(c2ccc(C(C)(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587810582 DBYQJUZUEYNWGX-WNSKOXEYSA-N 418.394 6.320 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)CCC3)(C(C)(C)C)N1 587812958 MFFYCJHAFQDSDD-QKFKETGDSA-N 416.378 5.901 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ccc(C(C)(C)C)cc32)N1 587816761 CUWLVYFQNPLSAK-FATZIPQQSA-N 416.378 6.000 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H]2CCc2ccccc2)N1 587818076 BNJKSZUMCALZLO-QRFQSNJMSA-N 402.351 5.751 0 1 HKAF Cc1ccccc1-c1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 587851242 HVIHCBBPDLGPBU-HXPMCKFVSA-N 417.347 5.644 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(C3CCCCC3)s2)N1 587855347 UYTFGISKCGEMQS-ADLMAVQZSA-N 409.368 5.716 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1cc(Cl)ccc1Cl 587873182 VOTYSWXTLXWTRG-UHFFFAOYSA-N 410.301 5.640 0 1 HKAF C[C@H](Nc1ncnc2ncc(-c3cnn(C)c3)cc12)c1c(Cl)ccc(F)c1Cl 653819834 JJFZVQIFOACJKG-JTQLQIEISA-N 417.275 5.044 0 1 HKAF CCCC[C@@H](CC)COc1ccc([C@]2(C)c3cc(OC)ccc3CCN2C(C)C)cc1 962085824 ASWGIVGWXYAOFG-SKCUWOTOSA-N 423.641 6.820 0 1 HKAF COc1ccc2c(c1)[C@@](c1ccc(C)cc1)(c1c(N)sc(C)c1C)N(C(C)C)CC2 962092330 QGRIKIAJPLJVDC-SANMLTNESA-N 420.622 5.823 0 1 HKAF COc1cc2c(cc1OC)[C@](C[C@@H](C)CC(C)(C)C)(c1ccccn1)N(C)[C@H](C)C2 962617849 CPBLDHHFDJGKGP-GNBJCERTSA-N 410.602 5.681 0 1 HKAF c1ccc(-c2cccc3c2[C@](c2ccccc2)(c2nccc4ccccc24)NCC3)cc1 962669097 OZZUVYUBTFOQLX-SSEXGKCCSA-N 412.536 6.339 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(COc3cccc(Cl)c3)o2)N1 962950361 MPCSHONJXCOMFI-VOIUYBSRSA-N 406.913 6.007 0 1 HKAF CC(=O)Oc1cccc([C@]2(c3ccc(C)cc3)c3ccc(F)cc3C[C@@H]3CCCN32)c1 963119008 YLNIHAFXHQIKJF-RPLLCQBOSA-N 415.508 5.372 0 1 HKAF FC(F)(F)c1ccc(-c2ccc([C@H]3NCCc4c(Cl)cc(Cl)cc43)cc2)cc1 963126862 XGGUISNPERCFSQ-OAQYLSRUSA-N 422.277 6.914 0 1 HKAF COc1cccc(NC(=O)Nc2ccc(-c3cc4ccccc4n3C(=N)O)cc2)c1 1772574437 KESUAIOCJKBPRI-UHFFFAOYSA-N 400.438 5.302 0 1 HKAF CC1=C2[C@H](/C=C(\C)C(=O)NCCc3ccc(Br)cc3)CC[C@@H](C)[C@H]2CC1 1772627621 CQIMLMYPHBOQSL-RFIQQHCTSA-N 416.403 5.827 0 1 HKAF O=C(NCC1CCC(F)(F)CC1)c1c(Cl)ccc2nc(C3=CCCC3)ccc12 1857609269 LJKPLYHODNXCAL-UHFFFAOYSA-N 404.888 6.011 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](COC(=O)CCC(=O)O)[C@@]2(C)CCc1ccoc1 2356382296 VMJXBULAZAIARU-FAYOUJPWSA-N 402.531 5.399 0 1 HKAF CC(C)n1cc(CCCC(=O)N(C)C[C@@H]2CCCN3CCCC[C@@H]23)c2ccccc21 2356519708 MXCDFKBAUBOGKK-UPVQGACJSA-N 409.618 5.268 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCC[C@@]1(C)CCc2c(C=O)c(O)cc(C)c2O1 2356584885 VVUPQSRSJMZZQI-NDEPHWFRSA-N 424.625 7.796 0 1 HKAF CC1(C)CC[C@]2(C)CC=C3[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@H]2C1 2356602898 OZQWSBFSSQJLEC-LGAARRQYSA-N 410.686 7.987 0 1 HKAF CC1=C(CCC(C)C)OC[C@]23CC[C@H]4[C@@H](CC[C@H]5C[C@@H](O)CC[C@@]54C)[C@H]2CC[C@@H]13 2356675055 FWDWUWPIWNWLFQ-DALHWZPRSA-N 400.647 6.727 0 1 HKAF COc1ccc([C@@H]2NC(=O)N=C(c3ccccc3)/C2=C2/Nc3ccccc3S2)cc1 103839314 IHYIMEBNXWMYHF-HFEWCJDKSA-N 413.502 5.378 0 3 HKAF COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@@H]23)c2c1OC(C)(C)C2 585990 WPKUFAIEVOBXTL-QUCCMNQESA-N 422.569 5.260 0 1 HKAF Cc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)n1 6783240 FWJIOVWYLXDCDZ-FCHUYYIVSA-N 419.550 5.027 0 1 HKAF COc1cc(O)ccc1[C@@H]1COc2c(cc(CC=C(C)C)c(O)c2CC=C(C)C)C1=O 14780906 YECSENDGXURKQA-QFIPXVFZSA-N 422.521 5.483 0 1 HKAF biogenic,in-vitro CN(C)CCCCNc1cc(-c2ccc(N3CCCCC3)cc2)nc2ccccc12 28244534 JCDZONMMSRYCMB-UHFFFAOYSA-N 402.586 5.646 0 1 HKAF CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccnc1 28384147 BIZGKIPGLCBLHP-UHFFFAOYSA-N 419.259 5.564 0 1 HKAF CC[C@@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)sc3C)ccc21 28566354 MDOUYVQGTYTRTO-IRLDBZIGSA-N 421.562 5.881 0 1 HKAF COc1cc2ncn(Cc3ccccc3C(=O)Nc3ccc(Cl)cc3)c2cc1OC 28571792 MVFRQFHVENDAOT-UHFFFAOYSA-N 421.884 5.008 0 1 HKAF Cc1ccc(CN2CCC(NC(=O)NCc3ccc(-c4ccccc4)cc3)CC2)cc1 28874128 KDDKDAQXAZDDHK-UHFFFAOYSA-N 413.565 5.126 0 1 HKAF CC(=O)N(c1cccc(-c2ccccc2)c1)c1nc2ccc(F)cc2c(C(=O)O)c1C 29468674 IJLQZHXOKLTSPN-UHFFFAOYSA-N 414.436 5.732 0 1 HKAF CCCN(CCC)C(=O)C1=C(C)Nc2ccnn2[C@@H]1c1ccc(Cl)c(Cl)c1 38395623 NGUGUHKJDYAZIS-LJQANCHMSA-N 407.345 5.127 0 1 HKAF CC(C)N(CCC(CCN(C(C)C)C(C)C)(C(N)=O)c1ccc(Cl)cc1)C(C)C 39254114 IPWUSBDFTFJPER-UHFFFAOYSA-N 424.073 5.081 0 1 HKAF Cc1cc(Br)c2c(c1)[C@@H]1CCN[C@H](Cc3cccc4ccccc34)[C@H]1N2 40701139 SXUYSGJPFRBFEI-ZEYPLWLESA-N 407.355 5.393 0 1 HKAF CO[P@@](C)(=O)Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 40892493 BPMHDNJABBOROI-AREMUKBSSA-N 400.440 5.304 0 1 HKAF COC(=O)CCc1c(C)c2ccc(OCc3cccc4ccccc34)c(C)c2oc1=O 42989697 MHUKAIBFCFMMCR-UHFFFAOYSA-N 416.473 5.248 0 1 HKAF CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(C(F)(F)F)cc3)c(CC(=O)O)n2C1 43076045 HZHUZSPIGDNKNC-UHFFFAOYSA-N 413.439 6.050 0 1 HKAF S=C(Nc1cccc(Cl)c1)N[C@@H]1CCN(c2ccnc3cc(Cl)ccc23)C1 45303110 JTKAKABTTHKLNX-MRXNPFEDSA-N 417.365 5.107 0 1 HKAF COC(=O)[C@H](Oc1cccc(-c2ccc3sc(C(=N)N)cc3c2)c1)c1cccs1 45355691 SLKMBSWRTAUUSA-HXUWFJFHSA-N 422.531 5.207 0 1 HKAF COc1cc(-c2nnc(N[C@@H](C)c3ccc(F)cc3)cc2C)ccc1-n1cnc(C)c1 72173380 QKDRJHOOWYGFGP-KRWDZBQOSA-N 417.488 5.267 0 1 HKAF Cc1oc(-c2cnc(NC3CCCCC3)nc2-c2ccccc2)nc1-c1ccccc1 82162517 ALXWGDHGBZXGLC-UHFFFAOYSA-N 410.521 6.519 0 1 HKAF Clc1ccc([C@H]2CC(c3ccccc3)=NN2c2ncc(Br)cn2)cc1 84727125 ZJWOTOHYSLAYQI-GOSISDBHSA-N 413.706 5.248 0 1 HKAF COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(OC(F)(F)F)c1)CC2 95553322 FTGGMBBDQLBTAQ-UHFFFAOYSA-N 420.309 5.207 0 1 HKAF Nc1n[nH]c2nc(-c3ccccc3)cc(-c3c(-c4ccccc4)[nH]c4ccccc34)c12 103183404 OFDMDHWQEZSQPM-UHFFFAOYSA-N 401.473 6.022 0 1 HKAF C[C@@H](Cc1ccc(-c2ccccc2)cc1)SC(=O)[C@@H](C)NC(=O)c1ccccc1 103183700 DELXEIDVTIWZPJ-RBUKOAKNSA-N 403.547 5.363 0 1 HKAF CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N1 104004032 YRGYXEPSTWYSCV-QFIPXVFZSA-N 419.500 5.612 0 1 HKAF CCOc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2C)cc1 104705677 NWDUJAWDVDSDGU-XMMPIXPASA-N 416.521 5.841 0 1 HKAF CC(C)OC(=O)/C=C\n1cnc(-c2cc(Cl)cc(Oc3ccc(Cl)cc3)c2)n1 115885535 RPUBPDUTNUVBJQ-FPLPWBNLSA-N 418.280 5.467 0 1 HKAF Cc1nc(N[C@H](C)c2cncc(-c3cnn(C)c3)c2)cc(-c2ccc(Cl)c(F)c2)n1 141851608 CJAQSEVUOYYISN-CYBMUJFWSA-N 422.895 5.213 0 1 HKAF CC(C)c1cccc2c1[C@H](CCC[C@H]1c3c(cccc3C(C)C)CCN1C)N(C)CC2 169337188 PRFDDGBZIRABCH-SVBPBHIXSA-N 418.669 6.862 0 1 HKAF Cc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1Cc1sc(=O)[nH]c1O 169722720 RPDXULKKXYHOCI-UHFFFAOYSA-N 415.820 5.506 0 1 HKAF CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C)C(C)C 255222150 JZVFJDZBLUFKCA-QUEPUEFYSA-N 412.702 7.801 0 1 HKAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc4ccccc4cc3[nH]2)cc1 586948448 IKNGADCWIFPBIE-UHFFFAOYSA-N 413.502 5.492 0 1 HKAF COc1cc(/C=C/c2nc3ccc(Br)c(C)c3[nH]2)ccc1Br 586975338 APAKLSBNTWMZEU-XBXARRHUSA-N 422.120 5.575 0 1 HKAF Cc1cnc(Cl)c2[nH]c([C@@H](Cc3cccc(Br)c3)CC(C)C)nc12 586983040 UHLILKLNNFGCIS-CQSZACIVSA-N 406.755 6.055 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1sc2ccccc2c1CC3 586993831 QPYGRMLMUGZBGI-UHFFFAOYSA-N 405.478 6.132 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1cc(C(F)(F)F)ccc1C4)-c1ccccc1C2=O 586993998 TWDGBIHIIZRRPY-UHFFFAOYSA-N 401.387 6.345 0 1 HKAF CC(C)(C)c1cccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 587004374 UCZFYEUQBOGPDW-GFCCVEGCSA-N 413.315 5.258 0 1 HKAF Brc1cccn2ncc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c12 587007231 XAPCVXFWKSOXFI-UHFFFAOYSA-N 421.323 5.791 0 1 HKAF COc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1F 587018011 SZFVYVBMWQMADE-UHFFFAOYSA-N 424.320 5.249 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)c(F)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 587026762 MOWXQSKPVZXQRU-AGRHKRQWSA-N 417.937 5.492 0 1 HKAF CSc1ccc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 587031029 NSTJLYUBAQZYTE-LWHXSLQUSA-N 416.597 5.412 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c([C@H]3SCCc4sccc43)nc2c1 587036490 CPVGPRHDQPZNGM-ZDUSSCGKSA-N 419.291 5.784 0 1 HKAF COc1cc(/C=C/c2nc3c(F)cnc(Cl)c3[nH]2)cc(Cl)c1OCC(C)C 587046485 HFICRZRQGBQOGM-SNAWJCMRSA-N 410.276 5.618 0 1 HKAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2ccc(F)c(Br)c2[nH]1 587148785 HFRQSCNQQALSPE-SFHVURJKSA-N 414.253 5.805 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@@H]4c4cccc(F)c4)[nH]c3c2)cc1 587161288 MALUPBDZVLSFBC-WOJBJXKFSA-N 402.425 5.552 0 1 HKAF C[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325957 ILHGHAAGPAUGKA-UNMCSNQZSA-N 417.263 6.112 0 1 HKAF COc1ccc2c(c1Cl)CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327243 GBMPRWDMYUHHFW-URXFXBBRSA-N 424.855 5.394 0 1 HKAF COCCC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330892 GCQFPFIXXPFULG-ZCYQVOJMSA-N 424.443 5.351 0 1 HKAF C[C@]1(c2cc(F)c(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331706 JWNBHQYCSMGFAK-VGOFRKELSA-N 420.333 5.362 0 1 HKAF C[C@]1(c2c(Cl)[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334070 XBYDFAWZJWTQJV-RDPSFJRHSA-N 421.855 5.940 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2C2=CCCCC2)[C@H]1c1ccc(F)cc1 587355836 WSBSVVBCBZYKMH-GVUKDKGQSA-N 406.497 6.320 0 1 HKAF Cc1cccc2c1OCCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355920 HDAPXGKSBDBFJD-RDGATRHJSA-N 404.437 5.267 0 1 HKAF COC(=O)[C@]1(C)CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587363019 OPGONWFDPPDCCV-RUZDIDTESA-N 401.462 5.325 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCC[C@H]1c1ccccc1C(F)(F)F)O2 587383379 WMQKPMJHNMAGNC-JTSKRJEESA-N 403.444 6.048 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Oc3ccc(F)cc3)cc1Cl)O2 587384925 PTZHMTMPMDCNHX-QHCPKHFHSA-N 411.860 6.043 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCc3cccc4ccccc34)c1)O2 587400356 QZBGHKYOMBEVEE-SANMLTNESA-N 409.485 6.016 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc(-c3cccc(F)c3)nc1C)CC2=O 587465440 CTNJBZXBHISRHT-HSZRJFAPSA-N 411.498 5.796 0 1 HKAF O=C1C[C@@H](c2ccc(-n3cc(C(F)(F)F)cn3)cc2)Oc2c1ccc1c2CCCC1 587504912 HAOIDIHBJIEWPZ-NRFANRHFSA-N 412.411 5.476 0 1 HKAF O=C1C[C@H](CCc2cccc(SC(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587510167 ZLQCCGXVEOSWES-INIZCTEOSA-N 406.469 6.144 0 1 HKAF CSc1cc(Br)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587532838 PAEYWLWWSUMGML-GOSISDBHSA-N 403.341 5.756 0 1 HKAF C[C@@]1(c2cc(F)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547386 LGWNGNRLXBLWQO-RXVVDRJESA-N 418.342 5.427 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC2CCCCC2)nc1 587587458 MWSUUNXMSGQNQR-RDGATRHJSA-N 417.461 5.202 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(N3CCC(C(N)=O)CC3)c2c1 587639691 BMBSQXQDENZZNT-OAHLLOKOSA-N 409.961 5.704 0 1 HKAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)c(C(=O)c3ccc(Cl)cc3)c2c1 587649312 PQHOTKSXBAJZSR-UHFFFAOYSA-N 409.894 5.123 0 1 HKAF CCc1cccc(C)c1NC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662398 ZRWXQWKAXDSGJA-UHFFFAOYSA-N 417.509 5.319 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c2[nH]c2ccc(Cl)cc32)N1 587700735 SRTDCTPNZQOKAG-CFMSYZGJSA-N 419.725 5.447 0 1 HKAF Cc1cc(OC(F)(F)F)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587718533 IOOIOZUGWTWYMW-BTDLBPIBSA-N 418.228 5.419 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)(F)F)cc2)N1 587720888 OOZJTFAODYQZFK-FVMDXXJSSA-N 404.201 5.110 0 1 HKAF CCO[C@H](C)c1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587794642 PEFDOUZVPHXASD-LKBUQDJMSA-N 406.339 5.483 0 1 HKAF Cc1cccc2c3c([nH]c12)[C@@]1(CCC3)N[C@H](C)Cc2ccc(F)c(Br)c21 587800563 BRGGZLDCVNDMGM-DMZKTXOQSA-N 413.334 5.492 0 1 HKAF Cc1cccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 587819780 NMIQKQXQCYXGNP-NPMXOYFQSA-N 410.330 6.187 0 1 HKAF CCCC[C@]1(CCCCC(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587832699 ZZVDKXOSZUNAMO-ORAYPTAESA-N 400.332 5.153 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccsc3)cs2)N1 587850171 XWANDOXGQKSAMW-MLCYQJTMSA-N 408.361 6.002 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(-c3ccccc3)s2)N1 587853278 MDTUJIIVFQRDJE-FKIZINRSSA-N 417.347 5.509 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccccc2)cc1 587870142 AFAXXBYFYMQBJX-UHFFFAOYSA-N 416.452 5.355 0 1 HKAF CCCCOc1cc2nc([C@H](CC)O[C@H]3CCC[C@H](C)C3)[nH]c2cc1Br 587951629 XAHPARUWDAJROF-DOXZYTNZSA-N 423.395 6.551 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(COc3ccc(F)cc3Cl)o2)N1 962958992 VHDUMNSIFPYUKZ-OWJWWREXSA-N 424.903 6.146 0 1 HKAF Cc1ccc(Sc2ccc([C@@]3(C)c4c(F)cccc4C[C@@H]4CCCN43)cc2)cc1 963106098 QPXDGBVXXCNIPM-LVXARBLLSA-N 403.566 6.569 0 1 HKAF COc1ccc(-c2ccc([C@@]3(C4CC4)c4c(F)cccc4C[C@@H]4CCCN43)cc2)cc1 963114490 UEZQRJSDCGHCHB-RBJSKKJNSA-N 413.536 6.175 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 963235113 FVLQUVCOYMZOHP-KKSFZXQISA-N 413.562 5.180 0 1 HKAF O=c1n(Cc2ccc3ccccc3c2)c2ccccc2n1Cc1ccc2ccccc2c1 1772573156 LMGBBWBWAKPXHN-UHFFFAOYSA-N 414.508 6.206 0 1 HKAF Cc1sc(-c2ccc(-c3csc(-c4ccccc4)n3)cc2)nc1-c1ccccc1 1857582740 DVXHRDGSPCCICW-UHFFFAOYSA-N 410.567 7.576 0 1 HKAF CCN(C(=O)CCn1c2cccc(C)c2nc1[C@H]1CC[C@H](CC)CC1)C1CCCCC1 1857593097 RNLWSFPOKITDMD-HZCBDIJESA-N 423.645 6.600 0 1 HKAF COc1ccc(-c2cc3c(cc2OC)CC[C@@H]2[C@@H]3CC[C@@]3(C)[C@H]2CC[C@]3(C)O)cc1 1857641932 AAJULEUNCHNSOB-WRHIHAPESA-N 406.566 5.978 0 1 HKAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]5(CC[C@@H](Cc6ccccc6)C5)[C@@]3(C)[C@@](C)(C4)[C@]21O 2356369106 CFYWJOPGYQODMB-XEJYLCLJSA-N 408.582 5.290 0 1 HKAF C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@@H](C)CO2 2356488324 INLFWQCRAJUDCR-IIXKTHSZSA-N 400.647 6.823 0 1 HKAF COC(=O)C1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@H](C)CCOC(=O)C(C)C 2356549896 LKEDBIJRCHKPBF-KNDQPZNBSA-N 406.607 5.944 0 1 HKAF CC(C)=CCC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356560405 YOKYCJJGBUSVGT-GRVKXUEOSA-N 412.658 6.712 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@H]2C3=CC(=O)N(CCc4ccccc4)C3=CC[C@@]12C 2356608942 KJDSEFLYDWGLDK-YZPBYRIBSA-N 417.637 6.802 0 1 HKAF COc1ccc2c3c(c(=O)oc2c1)[C@@](C)(CCC=C(C)CC(=O)CC(C)C)[C@@H](C)O3 2356725250 BARNHVLIPVGYOX-NSYGIPOTSA-N 412.526 5.572 0 1 HKAF Cc1noc(C)c1COc1ccccc1C(=O)N(C)Cc1ccc(C(C)(C)C)cc1 34878922 CXFPQUGESVRLIC-UHFFFAOYSA-N 406.526 5.440 0 3 HKAF CCc1nc2c(OCc3ccc(Cl)cc3Cl)cccn2c1N(C)C(=O)C(C)C 61925922 ISBTXZIKNROSQS-UHFFFAOYSA-N 420.340 5.401 0 3 HKAF CCCOc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1 95597863 PXRIBIUGGSNSRD-UHFFFAOYSA-N 420.896 5.679 0 3 HKAF CCOC(=O)Cc1c(-c2cccc(Br)c2)nc2c3ccccc3ccn12 95604353 ORYGYLVQZVRAMI-UHFFFAOYSA-N 409.283 5.023 0 3 HKAF C[C@H]1[C@@H]2[C@H](C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 263590872 WQLVFSAGQJTQCK-SUKOIDOUSA-N 414.630 5.714 0 3 HKAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 4214972 FRPVYSJOQDFUBA-DQEYMECFSA-N 420.597 6.314 0 1 HKAF COc1ccc(Nc2cc(C(=O)NC3CCC(C)CC3)c3ccccc3n2)cc1OC 4909585 IMKXXYJMACWWIC-UHFFFAOYSA-N 419.525 5.304 0 1 HKAF COc1cccc2c1O[C@@H](CN1[C@H]3CC[C@@H]1C=C(c1cccc4ccccc14)C3)CO2 13589030 ZIQRGFPFGAMDTI-FSSWDIPSSA-N 413.517 5.309 0 1 HKAF Cc1cc(C)c(-c2ccc(NCCC3CCN(Cc4ccccc4)CC3)nn2)c(C)c1 13863634 BHRSKWREJWGODQ-UHFFFAOYSA-N 414.597 5.783 0 1 HKAF CO[C@H]1c2c(c3c(c4c(-c5ccccc5)cc(=O)oc24)OC(C)(C)C=C3)O[C@H](C)[C@H]1C 14555311 STOSFQGFUXQJCN-DOQJBMMISA-N 418.489 5.749 0 1 HKAF c1ccc(CN[C@@H]2C3C[C@@H]4CC[C@H](C3)N4[C@H]2C(c2ccccc2)c2ccccc2)cc1 22943551 AIGRKPPMDORFBF-YCOSFKFOSA-N 408.589 5.602 0 1 HKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCN(C(=O)CO)C=C21 26258929 AHGMWEWSNMOGNW-ZWOKBUDYSA-N 415.574 5.065 0 1 HKAF CCCCC1=NC2(CCCC2)CC(=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1 29346753 KJBYJLFLIMICSV-UHFFFAOYSA-N 418.537 5.686 0 1 HKAF c1cc(CNCCc2ccncc2)cc(-c2csc(-c3nc4ccccc4[nH]3)c2)c1 45210400 JGMGEQVOIKCQMM-UHFFFAOYSA-N 410.546 5.686 0 1 HKAF COc1cc2c(cc1OC)-c1n[nH]c(NCc3c(Cl)cccc3Cl)c1CC2 45253119 VBNISAQFHUFNMA-UHFFFAOYSA-N 404.297 5.111 0 1 HKAF CNc1ccc(/C=C/c2ccc(OCCCCCCCCCCCCF)cc2)cc1 45300340 UWYDVPLWQHNSGR-OUKQBFOZSA-N 411.605 8.148 0 1 HKAF CCCc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 45357107 DGYMGPLTQHVOOF-UHFFFAOYSA-N 420.896 6.118 0 1 HKAF c1ccc2c(c1)c1ccccc1n2CCCCCCn1c2ccccc2c2ccccc21 49014079 HQJSEXZUUBJDPH-UHFFFAOYSA-N 416.568 8.163 0 1 HKAF CCC(CC)Nc1c2c(nc3c(-c4ccc(OC)cc4C)c(CSC)nn13)CCC2 72113334 NEHGAJCRJDRGBX-UHFFFAOYSA-N 424.614 5.666 0 1 HKAF O=C(O)C[C@H](Cc1nc2cc(Cl)ccc2[nH]1)c1ccc(Cl)c(C(F)(F)F)c1 72118757 XEVXPFPNNOYXPR-JTQLQIEISA-N 417.214 5.690 0 1 HKAF Cc1ccccc1-c1nc(N[C@@H]2CCCC[C@@H]2C)ncc1-c1nc2ccccc2s1 82177221 PVJOAPJMMFHZGQ-FXAWDEMLSA-N 414.578 6.719 0 1 HKAF NCc1ccc(CNC(=O)[C@@H](Cc2ccccc2)c2ccc(-c3ccccc3)cc2)cc1 95580956 HSGKBGCFILFOAC-NDEPHWFRSA-N 420.556 5.455 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4Nc5nocc5C[C@]4(C)[C@H]3CC[C@]12C 96906626 CDSNJPKIZZSWGQ-SEJPNDGZSA-N 412.662 7.332 0 1 HKAF CCOC(=O)Sc1ccc2c(c1)[C@]1(C)CCN(CCc3ccccc3)[C@@H](C2)[C@@H]1C 100799560 FMCDGYVXQQXTOP-VVMVZBAXSA-N 409.595 5.702 0 1 HKAF CC1=NNC(=O)[C@H]1[C@H](c1c[nH]c2ccccc12)c1c(-c2ccccc2)[nH]c2ccccc12 103157451 RSYSQPQKFAIVBB-RPWUZVMVSA-N 418.500 5.570 0 1 HKAF CCC/C=C/C[C@H]1C/C=C/C=C(C)/C=C/C=C\[C@H](O)C/C=C(C)/C=C/C=C/C(=O)N1 105577484 UMYFIUGQWGBKLX-AMTQCHCISA-N 407.598 6.046 0 1 HKAF CC/C=C\C/C=C\C=C\[C@H](O)C/C=C\CCCCC(=O)c1c(O)cc(O)cc1O 140481877 IOUZORJQGVEPBC-IAUCYMKRSA-N 400.515 5.322 0 1 HKAF COc1ccc(Cl)c(-c2cc(C)c3c(n2)CCN(c2cc(C(C)C)ccc2C)C3)c1 147017427 QPYFZURHSJUTRN-UHFFFAOYSA-N 420.984 6.714 0 1 HKAF C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\N=C/C=C/C=C/c1cccs1 169329530 KTOADSLZMISDOR-RJIKGDNLSA-N 411.983 6.274 0 1 HKAF COc1ccc(-c2cc3c(OC)c(CC=C(C)C)c(OC)cc3oc2=O)c(OC)c1 238740165 CVRRHSSOXTVUSP-UHFFFAOYSA-N 410.466 5.003 0 1 HKAF C[C@H](CN1CCCC[C@H]1CC1CCCCC1)c1cccc([C@H](O)c2ccccc2)c1 253634496 OSWZXLQHCUXZDR-KKVCJECGSA-N 405.626 6.697 0 1 HKAF CC[C@H](/C=C\[C@@H](C)[C@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@H]1CC3)C(C)C 255209725 FQJAPGMYXUZOEN-XIVIDEQZSA-N 412.702 7.945 0 1 HKAF CC(C)CC(=O)C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C 261524834 WCONBNFLHMTKFI-VFHVBYDTSA-N 416.646 5.539 0 1 HKAF Oc1cc(O)cc(C2=C(Cc3ccccc3)c3cc(O)cc(O)c3[C@H]2c2ccccc2)c1 473087048 JRCDEDDTEBZXLY-MHZLTWQESA-N 422.480 5.808 0 1 HKAF CCn1cc(-c2c[nH]c(=N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)cn1 473109205 QWZNMBNNYHYEKF-UHFFFAOYSA-N 412.518 6.052 0 1 HKAF Cc1cc(Br)ccc1OCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586980888 GVEXFAFZRFUHLO-UHFFFAOYSA-N 403.173 5.371 0 1 HKAF CC(C)(C)c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2n1 587012518 YRVDQSGDXNFWMB-UHFFFAOYSA-N 419.575 7.022 0 1 HKAF Clc1ccc(-c2nc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)cs2)cc1 587016153 QARLPGBIXQQGHX-UHFFFAOYSA-N 417.921 6.586 0 1 HKAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(F)c(F)cc2[nH]1 587018566 HVSQFSAADXIEGY-UHFFFAOYSA-N 424.303 6.597 0 1 HKAF COc1cc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2cc1Cl 587031457 NTYWWHKZOQLBLT-UHFFFAOYSA-N 408.708 5.451 0 1 HKAF Clc1ccc(-c2cc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)ccc2Cl)cc1 587047788 NJTSNFHZAAIGHG-UHFFFAOYSA-N 407.264 5.179 0 1 HKAF Fc1cnc(Cl)c2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc12 587070044 QGOGWVMYASTILG-FOWTUZBSSA-N 412.295 6.577 0 1 HKAF Cc1cnc2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2c1 587075936 LAJMAERJAJWMGL-GHRIWEEISA-N 422.919 6.622 0 1 HKAF CCCCOc1cc2nc(-c3ccc(OC)nc3Cl)[nH]c2cc1Br 587087298 NVXGQSVSHHCAAW-UHFFFAOYSA-N 410.699 5.228 0 1 HKAF O=C(Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1)NC1CC1 587103043 CXRMDTYHDCPJDL-UHFFFAOYSA-N 405.457 5.397 0 1 HKAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cnc5ccccc5c4[nH]3)c(F)c2)c1 587138658 PPYVOBUGUDLIRG-UHFFFAOYSA-N 401.372 5.422 0 1 HKAF CCCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352118 IHJXCRGRMUCOBV-BDYUSTAISA-N 418.508 6.756 0 1 HKAF COc1c(C)cc(C)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352903 PMSCYXGWVXHVLB-RCZVLFRGSA-N 406.453 5.431 0 1 HKAF COc1cccc(-c2cc(-c3cccc(NC(C)=O)c3)nc3c2oc2ccccc23)c1 587362736 LZPRVAWXCKHLPN-UHFFFAOYSA-N 408.457 6.282 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCc3cccc4ccccc34)c1)O2 587400355 QZBGHKYOMBEVEE-AREMUKBSSA-N 409.485 6.016 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccccc1C(F)(F)F)CC2=O 587464468 RBFOCZBMJKLVJO-OAQYLSRUSA-N 421.415 5.116 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(C=C(c3ccccc3)Oc3ccc(F)cc31)CC2=O 587470780 IVIWWLZOQBHGHR-AREMUKBSSA-N 416.448 5.778 0 1 HKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1cc(Br)ccc1NC21CC1 587497723 MEAKUYCMLWPMGF-QFIPXVFZSA-N 410.311 5.147 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccccc3)nc3sccn13)CC2=O 587498396 GWWCMHIGGXRGAP-IBGZPJMESA-N 404.491 5.427 0 1 HKAF Cc1ccc(C)c(-c2[nH]c3ccccc3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587528440 ZSTIMHOAUXLBKI-AREMUKBSSA-N 421.540 7.037 0 1 HKAF Nc1sc2c(c1[C@]1(c3ccccc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 587534219 BVLCULFKYYNHCQ-AREMUKBSSA-N 415.558 5.607 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H]2c1ccc(Cl)cc1 587551824 KHMRHSPRKVQACM-ZHRMCQFGSA-N 406.865 5.714 0 1 HKAF CC(C)(C)OC(=O)C1(C)CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587591237 BOKBWSQMKPVAAU-CCYWVKEMSA-N 424.493 5.015 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCCCC2)cc1 587595625 POBUIRGBOVQIOW-JYFHCDHNSA-N 415.489 5.476 0 1 HKAF CCOC(=O)CCCCCc1c(-c2cccc(Cl)c2)[nH]c2cc(Cl)c(F)cc12 587628843 RTSBKVIHRHHQNB-UHFFFAOYSA-N 422.327 6.947 0 1 HKAF O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3cccc(C(F)(F)F)c3)[nH]c12 587637373 HPPKMRRCIALTIC-UHFFFAOYSA-N 401.262 5.297 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3Cl)c(-c3ccc(F)cc3)c2c1 587640886 GCDONBWYTDVPEL-AWEZNQCLSA-N 412.335 8.461 0 1 HKAF COc1cc(Cl)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587691006 AZNJBXZGOKYQCS-QPFGOUBPSA-N 419.121 5.527 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cccc2N2CCCC2)N1 587698709 ZUZHDLCDGMGIRV-MPBGBICISA-N 423.757 5.465 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(C(F)(F)F)c2F)N1 587710704 HKELLQTTYSHIHC-QZTNRIJFSA-N 424.182 5.509 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2C(F)(F)F)N1 587712096 NXDJEOUMIXICGW-BCTVWOGZSA-N 422.647 5.884 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)F)c(Cl)c2)N1 587722844 ZYLRGJYYRFDUQO-VPTHRUTESA-N 420.656 5.467 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2c2ccccc2n3C)N1 587753238 AMRJBYYLPUEDJG-DMZKTXOQSA-N 413.334 5.194 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C1CCCC1 587753328 VAYQJBVPLKUFLB-LAJNKCICSA-N 405.355 5.745 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC3CCCCC3)nc2)N1 587768455 CXXACVDFCOGXTL-ZSEKCTLFSA-N 419.338 5.318 0 1 HKAF Cc1cccnc1[C@@H]1CCC[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587769993 HKPPGGRESVKWGF-PDSXEYIOSA-N 403.339 5.379 0 1 HKAF Cc1c(Br)ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587783853 HNGLLKFPFBIRPL-NTEUORMPSA-N 419.322 6.383 0 1 HKAF Cc1cccc(C2(c3cccc(C)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587816377 XKMASEKJNUJNJM-KRWDZBQOSA-N 424.357 6.031 0 1 HKAF Cc1ccccc1C(=O)Nc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587874167 WHGGJMQBSOXTOA-UHFFFAOYSA-N 413.408 5.044 0 1 HKAF Cc1ncc(-n2c(-c3cccs3)ccc2-c2cccs2)nc1Br 587941336 SDSYVHVZWKDJPK-UHFFFAOYSA-N 402.342 5.795 0 1 HKAF Oc1cc(-c2ccccc2)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 587946290 UMESMAGVSVWRLG-UHFFFAOYSA-N 401.437 5.976 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c([C@H](CC)O[C@@H]3CCC[C@@H](C)C3)nc2c1 587951420 UUCGGINQRQQAPN-MRRJBJDNSA-N 423.351 5.549 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c[nH]c(=N)[nH]c-2n1 587962555 YNJOIVVRMKWPCM-WWMAXSSBSA-N 419.617 6.571 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 685935415 QQWIMVRGPKFDGM-LGQXFTNKSA-N 424.713 8.543 0 1 HKAF biogenic,in-vitro CCOC(=O)CCCC[C@@]1(c2cc(C)cc(C)c2)c2ccc(F)cc2C[C@H]2CCCN21 963105078 ISYCREXXFBPCHA-SHQCIBLASA-N 423.572 5.830 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@]2(c1ccc(Cl)nc1)c1ccc(F)c(F)c1 963105188 LZGWYNFZBSECEK-WZONZLPQSA-N 414.858 5.465 0 1 HKAF CCC[C@@]1(c2ccsc2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963181712 RASQBTZGYOZESG-RDJZCZTQSA-N 403.853 5.063 0 1 HKAF CCCCCCc1ccc([C@@]2(CCC(=O)O)c3ccccc3C[C@@H](C)N2CCC)cc1 963222712 CFUCQPYYTQMVPU-DFHRPNOPSA-N 421.625 6.574 0 1 HKAF CCN(C)C(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857590290 UIVYMANQVISZNZ-ZHHJOTBYSA-N 415.662 5.821 0 1 HKAF CCCCCCOc1cc2c(cc1OCCCCCC)[C@@H]1CC(=O)C[C@@H](C)N1CC2 1857603547 HLDOVSWPDLRVKA-YKSBVNFPSA-N 415.618 6.255 0 1 HKAF CC1=C[C@@H](c2c(O)ccc3c2[nH]c2c4c(c(C)cc23)OC(C)(C)C=C4)[C@H](C(C)C)CC1 1857649346 YMYLFXVATQVYAG-GHTZIAJQSA-N 415.577 7.615 0 1 HKAF CCCN1CCC(N(Cc2cccnc2)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 1857756750 MYAZRJLIDGICMI-UHFFFAOYSA-N 420.479 5.009 0 1 HKAF CC(C)=CC[C@@H](O)C(C)=CCCC(C)=CCC[C@@]1(C)CCc2cc(O)cc(C)c2O1 2356463169 RFIIOYJLKCYOCK-VPUSJEBWSA-N 412.614 6.955 0 1 HKAF CC(C)=CCCC(C)=CCOc1ccc2c(=O)c(-c3ccc4c(c3)OCO4)coc2c1 2356579174 SGXJZIPHRSORAX-UHFFFAOYSA-N 418.489 6.260 0 1 HKAF COc1cc(O)c(CC=C(C)CCC=C(C)C)c2c1[C@H]1Oc3cc(O)ccc3[C@H]1CO2 2356697137 KQOZBCGTGONGDN-IBVKSMDESA-N 422.521 5.951 0 1 HKAF O[C@@H](Cc1ccccc1Br)c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 61906813 PEDOVPNRWMQYJV-INIZCTEOSA-N 411.221 5.134 0 3 HKAF CCCCc1nc2ccccc2nc1Oc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 1540851 WZXOIBWQRUQFII-UHFFFAOYSA-N 422.492 5.612 0 1 HKAF O=C1c2ccc(-c3ccccc3)cc2CC[C@H]1CCN1CCC(c2ccccc2)CC1 13588383 UQMOLDLXMWSOEC-VWLOTQADSA-N 409.573 6.368 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(CCCc5ccccc5)CC[C@@]43C)[C@@H]1CCC2=O 13671515 AYCYYEHALVLQDH-CCHFCTFWSA-N 408.626 6.352 0 1 HKAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)OC3CCCCCC3)CN(C)[C@H]1C2 27520338 MBYARJXYTMMETQ-CKUXNOBLSA-N 408.586 5.448 0 1 HKAF Cc1sc(C(=N)N)cc1-c1csc(Nc2ccc(Oc3ccccc3)cc2)n1 27998771 BPTSLRVJHZVZJK-UHFFFAOYSA-N 406.536 6.000 0 1 HKAF Cc1ccc([C@@H](O)[C@H]2CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)cc1 28389941 LFTDMBYAYYEBDL-ARMFNRFLSA-N 402.513 5.799 0 1 HKAF CC[C@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4cccc(C)c4)oc3C)ccc21 28565448 ANZBIERYZKGLBF-JTHBVZDNSA-N 419.521 5.721 0 1 HKAF CC1=C(c2nc3ccccc3s2)[C@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 45318690 BUEQVWRGYXLMAG-IBGZPJMESA-N 413.333 6.246 0 1 HKAF CC(C)(C)c1cccc(C(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)c1 45370418 UNNUWHXBIJOHMZ-UHFFFAOYSA-N 401.466 5.198 0 1 HKAF Cc1noc(NC(=O)N2CCC3(CC2)CC(c2ccccc2C(F)(F)F)C3)c1C 73155994 NAAFNDYUYBIHTF-UHFFFAOYSA-N 407.436 5.502 0 1 HKAF CCc1cnc(-c2cnc(NCc3ccccc3OC)nc2-c2ccccc2F)s1 82176030 BKQNUBMKJOJQLA-UHFFFAOYSA-N 420.513 5.589 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NC3CCCCCC3)ncnc21 82197313 TZRFYCAFGNGIMD-MRXNPFEDSA-N 423.561 5.388 0 1 HKAF CC(C)=CCC[C@](C)(O)[C@H](O)CC/C(C)=C/CC/C(C)=C/Cc1c[nH]c2ccccc12 96917631 QSCZFXVTYWFEJV-IQRZJAOQSA-N 423.641 7.022 0 1 HKAF CC[C@@](C)(CCC[C@@H](C)CCCC(C)C)CC[C@@H](C)CCC[C@@H](C)CCCC(C)C 102191892 BMQOPLQIXUYINH-KRCBVYEFSA-N 422.826 11.084 0 1 HKAF Cc1cc2nc(-c3cccs3)n(-c3cc4nc(N)nc(N)c4cc3Cl)c2cc1C 103249549 QVSHWWXRWHNQBE-UHFFFAOYSA-N 420.929 5.132 0 1 HKAF Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(F)ccc43)cccc2cn1 118636150 AILCSHZLWQQZEZ-LJQANCHMSA-N 415.415 5.005 0 1 HKAF C[C@@H]1CCC2=C(C1)c1c(O)cc([C@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C 142003137 LMZMEMKXSLGEMN-QZTJIDSGSA-N 408.557 7.402 0 1 HKAF O=C1N(c2ccc3c(C(F)(F)F)csc3c2)CCN1c1cnccc1C1CC1 144444349 CDVMCZZUUDEKMM-UHFFFAOYSA-N 403.429 5.639 0 1 HKAF Cc1cc(C(C)(C)O)cc(Nc2cc3ccc(-c4cc(F)ccc4C)cc3cn2)n1 169700015 VITQLWFDDMWUOS-UHFFFAOYSA-N 401.485 6.024 0 1 HKAF CC[C@H](/C=C\[C@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 255222155 JZVFJDZBLUFKCA-VQOZWITMSA-N 412.702 7.801 0 1 HKAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cccc(OCc3ccccc3)c2[nH]1 586964242 VVEXVXWMVWMFLI-GOSISDBHSA-N 406.511 5.189 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cccc(Br)c3)nc3ccc(O)c1c23 586983650 ADBZHMDWDXTWMJ-UHFFFAOYSA-N 402.247 5.581 0 1 HKAF FC(F)(F)C(F)(F)c1cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2cn1 587084061 UHIZCNPWWDYGAY-UHFFFAOYSA-N 424.760 5.994 0 1 HKAF Clc1cc(-c2nc3cccc(I)c3[nH]2)c2ccccc2n1 587085647 YZJDUASTXPTDAV-UHFFFAOYSA-N 405.626 5.036 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(F)cc(F)c2[nH]1 587086455 KRJYVCFFQAJPGS-SREVYHEPSA-N 419.262 5.872 0 1 HKAF Fc1ccc(/C=C(\c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c2cccs2)cc1 587164114 ODGQSYWLJKMBSK-ZSOIEALJSA-N 422.834 7.025 0 1 HKAF Cc1cc(Br)c2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2c1 587203307 FCUMCNQHSMVXRQ-CQSZACIVSA-N 410.356 5.116 0 1 HKAF Cc1c(Br)ccc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c12 587242097 OYLUGZQOSQRWRQ-UHFFFAOYSA-N 400.320 5.676 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCOc3c(Cl)cccc32)[C@H]1c1ccc(F)cc1 587328312 JFCXXBWNOSIRCS-XUZZJYLKSA-N 424.855 5.612 0 1 HKAF CC(C)(C)C[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338086 SVTNLSSUAOSHLB-JYFHCDHNSA-N 422.471 6.361 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C2CCOCC2)[C@H]1c1ccc(F)cc1 587361418 YNKXIULHHNQYKK-AHWVRZQESA-N 418.464 5.212 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(F)(F)F)cc1Br)O2 587382357 PCGIZADKLCJQRK-HNNXBMFYSA-N 400.194 5.065 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC(=O)Oc3ccccc3)cc1)O2 587389263 JQBFMCACJXCMRU-DEOSSOPVSA-N 402.450 5.069 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C(F)(F)F)cc4)s1)[C@@H](C2)C3=O 587423775 UZEHUEURZXUIBP-BTYIYWSLSA-N 416.420 5.931 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1Cl)(c1ccccc1OC)CC2=O 587459130 CAHYLFNTAVTUBW-VWLOTQADSA-N 422.908 5.916 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)CC2=O 587462223 OGIPIABCAGDNAC-XMMPIXPASA-N 422.908 6.284 0 1 HKAF O=C1C[C@](c2ccc(Cl)cc2)(c2cccc(F)c2)Oc2c1ccc1c2CCCC1 587505782 PYZGAFOYIDGTIG-VWLOTQADSA-N 406.884 6.267 0 1 HKAF COc1ccc([C@]2(CCCCCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524250 KYCFWGNBHNZDJJ-SANMLTNESA-N 422.521 5.470 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(Cl)ccc1C(F)(F)F 587547686 MAIADKXGPKVRQF-KXBFYZLASA-N 421.758 5.162 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1c2ccc(Cl)c1Cl 587551552 GSLYUVBQUTWPJG-XMSQKQJNSA-N 413.256 5.502 0 1 HKAF Oc1nc(O)c2ccc(-c3ccc(Nc4c5ccccc5nc5occc45)cc3)nc2n1 587555083 NLXIXSJBJVVUCR-UHFFFAOYSA-N 421.416 5.141 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Oc2ccccn2)c1 587584688 ADXQQPKFDLWWSQ-RCZVLFRGSA-N 411.413 5.282 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2ccccc2)c1 587591858 HYNAIXVFKYZVRP-SQHAQQRYSA-N 424.452 5.674 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1ccccc1 587601085 QPYSHOQCLNIYFR-ZEQKJWHPSA-N 410.425 5.887 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccccc3Cl)no2)N1 587693609 DYRPJGHXLHBQIC-OVWNDWIMSA-N 421.697 5.520 0 1 HKAF COc1c(C)cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587694206 PCYXQPRMTQFYTR-NSPYISDASA-N 412.730 5.356 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC(F)(F)F)c2)N1 587724019 YVWVWJSNKHKKQJ-JDNHERCYSA-N 404.201 5.110 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(Cc3ccccc3)CC2)N1 587766910 OWRXRQXBEBRSMB-KSFYIVLOSA-N 417.366 5.004 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccncc3)cc2)N1 587777765 JNCREGLBJNTXGF-PEBXRYMYSA-N 411.318 5.448 0 1 HKAF COC(=O)c1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1OC 587783951 JTYVMCCPSGVAIY-XNTDXEJSSA-N 414.461 5.108 0 1 HKAF Cc1[nH]c2c(C)ccc(C)c2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587805974 UECKXTYLVVKWFA-LAJNKCICSA-N 401.323 5.618 0 1 HKAF Cc1cccc(-c2csc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)c1 587855270 UENVAWXBAIBHMV-BUXKBTBVSA-N 417.347 5.644 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc3ccc(Cl)nc23)N1 587857516 KVKAXTOQPKJOSY-PWJLMRLQSA-N 411.727 5.475 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc3cn[nH]c3cc2[nH]1 587949560 WZPHLIXPLYDFBZ-LPXYKDPNSA-N 416.525 5.724 0 1 HKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3c(Br)ccc(Br)c3[nH]2)C1 587969615 RAPHKSRVAMWWFK-NXEZZACHSA-N 400.158 6.018 0 1 HKAF Cc1cc([C@H]2c3ccsc3CCN2Cc2cccn2C)cc(C)c1Br 962399646 RTPKGSRUXRFPIL-NRFANRHFSA-N 415.400 5.614 0 1 HKAF C[C@@]1(c2ccc(-c3ccsc3)s2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962696461 FKVDNSMKXKQFGO-ZHRRBRCNSA-N 415.624 6.243 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2c[nH]c3cccc(OCc4ccccc4)c23)N1 962942851 CCDIWGSMUJATLK-VKGTZQKMSA-N 421.544 6.242 0 1 HKAF Oc1cc([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c2ccccc2c1 962951861 GEKCYIRSKNLULM-QFIPXVFZSA-N 413.439 5.305 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@]3(/C=C\c1ccc(O)cc1)c1ccccc1 963027948 AVHYADMZPLIQSB-SUMNQVSJSA-N 408.501 5.052 0 1 HKAF C[C@]1(c2ccc(Br)c3ccccc23)NCCc2c(Cl)cc(Cl)cc21 963124123 QHXOTYRAKYCIAV-HXUWFJFHSA-N 421.165 6.318 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)CC(=O)Nc1ccc(Br)cc1 963239071 JBJZOTBMJLRXCM-AOMKIAJQSA-N 415.375 5.350 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1cccc(Cl)c1Cl)C1CCCC1 963257432 KDNPGSIDUMASRW-OSPHWJPCSA-N 402.409 7.084 0 1 HKAF Oc1c(Br)cc(-c2cccc3oc4ccccc4c23)cc1Br 1772600166 PFAHZXLTHDQVIA-UHFFFAOYSA-N 418.084 6.484 0 1 HKAF Oc1ccc(C=Cc2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@H]3c2ccccc2)cc1 2356515568 SJLDVTZZJYMCTL-XTEPFMGCSA-N 422.480 6.239 0 1 HKAF CC(C)CC[C@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356598206 IPYACDRNRIVGLI-QKSHGXOVSA-N 404.679 6.439 0 1 HKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5CO[C@H](O)[C@H]54)C3=CC[C@H]12 2356801408 QOTHQFYQXIMAHN-PKUNRZJBSA-N 414.586 5.020 0 1 HKAF CCc1nc2c(-c3ccc(Cl)cc3Cl)ccnc2n1[C@H](CCOC)C1CC1 13479591 WEDUAVJGSAKMSR-GOSISDBHSA-N 404.341 5.955 0 1 HKAF C[C@@H](COC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2O)cc1)CC(C)(C)C 13603832 NFILBRWXGOPTRA-LJQANCHMSA-N 402.534 6.955 0 1 HKAF CC(C)(CCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1)c1nnn[nH]1 13729690 NTKZVVBJSIYYTJ-UHFFFAOYSA-N 421.932 5.595 0 1 HKAF C[C@@]1(C2CCCCC2)N[C@@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 13863923 VOSXUKXXGOUBDV-KCWPFWIISA-N 410.565 6.241 0 1 HKAF CCCN(CCC)[C@@H]1CCc2c(ccc(CCc3ccc(Cl)cc3)c2OC)C1 27407133 NWSXNSLKBWYNLE-HSZRJFAPSA-N 400.006 6.113 0 1 HKAF C[C@H]1CN(CCc2ccccc2)[C@H](CCc2ccccc2)C[C@@]1(C)c1cccc(O)c1 28568071 QXGODTNSOZTPPI-TZIIFLTASA-N 413.605 6.236 0 1 HKAF Clc1ccc([C@@H]2CO[C@](Cn3ccnc3)(c3ccccc3Cl)O2)c(Cl)c1 28768259 TWSPNUPQJYVQMY-OALUTQOASA-N 409.700 5.484 0 1 HKAF Clc1ccc([C@@H]2CO[C@@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 28769177 WJFWSYABOJESIA-RBUKOAKNSA-N 409.700 5.484 0 1 HKAF O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(CN2CCCCC2)c1Cl 28825948 NFYBLIIVAQYCEO-UHFFFAOYSA-N 400.994 5.272 0 1 HKAF C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@@](C)(O)C(C)C 33956030 HVAVRRBYXYEBNC-RYOQPIELSA-N 412.658 6.756 0 1 HKAF CC(=O)N[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 34513654 RBBVXROQBNFDAF-OPWYDLDLSA-N 401.591 5.022 0 1 HKAF biogenic COc1ccc(-c2nnc(CCC(=O)c3ccc(-c4ccccc4)cc3)o2)cc1OC 43011245 ROCQPPBVFBLOQQ-UHFFFAOYSA-N 414.461 5.236 0 1 HKAF CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1cc(-c2ccc(F)cc2)nc2ccc(OC)cc12 45365978 FBDKIDHZHWWMNH-MYVTVGRVSA-N 420.528 5.203 0 1 HKAF COc1cc(O)c(C(=O)CCc2ccccc2)c2c1[C@@H]1C[C@@H](C(C)C)C=C[C@]1(C)O2 59774102 HQPBWCKPGXUXIH-DGUDUIIESA-N 406.522 5.683 0 1 HKAF biogenic CC(C)(C)c1ccc(-c2nc(CNCc3ccc(OC(F)(F)F)cc3)co2)cc1 72182537 SQYHUNNQNQDHFU-UHFFFAOYSA-N 404.432 5.828 0 1 HKAF Cc1cccc(-c2nc(NCc3ccccc3)ncc2C(=O)NCC2CCCCC2)c1 82145339 OVZSMZXQVIFSMR-UHFFFAOYSA-N 414.553 5.374 0 1 HKAF CCCCNc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccccc2F)n1 82152639 JMLQUPULAVVBAK-UHFFFAOYSA-N 420.532 5.546 0 1 HKAF N=C(N)SCc1c(Cl)ccc2c1oc1c(CSC(=N)N)c(Cl)ccc12 84687928 QJZGDWFOSCICGL-UHFFFAOYSA-N 413.355 5.146 0 1 HKAF Clc1cc(Cl)cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1 95594635 GGHZTDKHIZRELM-UHFFFAOYSA-N 421.353 5.583 0 1 HKAF CO/C=C\[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)cc(C34CC5CC(CC(C5)C3)C4)cc1OC2(C)C 95602791 BDARCOUKTBOYTA-XQJOSDQISA-N 422.609 6.691 0 1 HKAF COc1cc(-c2nc(C3CCC3)n3ccnc(N)c23)ccc1Oc1ccccc1F 96168213 VXFPHHFHSWUHEF-UHFFFAOYSA-N 404.445 5.186 0 1 HKAF CNc1ccc(-c2cccc([C@H](C)C(=O)Nc3ccc(-c4ccnc(C)c4)cc3)c2)cn1 103273502 UJLZJKYJBJOEDJ-IBGZPJMESA-N 422.532 5.903 0 1 HKAF Fc1ccc(Cn2c(-c3nnc(SCc4ccccc4)o3)nc3ccccc32)cc1 103285993 MERFYZZRJHWYOG-UHFFFAOYSA-N 416.481 5.566 0 1 HKAF CC/C(=C(\c1ccc2[nH]ncc2c1)c1ccc(/C=C/C(=O)O)cc1OC)c1ccccc1 114547949 LMANLGXMQRKGKV-HWRWZSNVSA-N 424.500 6.038 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCCC(=O)N1Cc1csc(-c2ccccc2)n1 167239886 DVETXMSHKZDDED-IBGZPJMESA-N 422.550 5.471 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCCC(=O)N1Cc1cccc(-c2cncs2)c1 167578395 NPPBRYYJKAJECL-IBGZPJMESA-N 422.550 5.471 0 1 HKAF CC1=NC(C)=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)[C@H]1C(=O)Nc1ccccc1 169724994 KFDFDPABWDTBAV-GMAHTHKFSA-N 413.477 5.005 0 1 HKAF CC1(C)C=C[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 257402589 DAYKSLOBCZJGHS-UBDXAWBSSA-N 424.713 7.945 0 1 HKAF endogenous,in-man O=C(Nc1cnccc1Br)c1cccc(-c2ccc3ccccc3c2)c1 299821945 CPSPDZNAUKTMPS-UHFFFAOYSA-N 403.279 5.917 0 1 HKAF COc1ccc(CCO[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1OC 299866729 WLGVXUXMTFTTDD-OAQYLSRUSA-N 421.324 5.208 0 1 HKAF COc1cc(OC)c2[nH]c(-c3cc(Br)ccc3OCCC(C)C)nc2c1 586981023 DFSKVPPJHDYXHV-UHFFFAOYSA-N 419.319 5.435 0 1 HKAF Fc1cc(F)c2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2c1 586998568 MVFLFZFHLGCDCP-SOFGYWHQSA-N 401.210 6.034 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc3c(cc2[nH]1)OCCO3 587072691 UWLHHWGHGPASCT-MIIDOCDQSA-N 415.320 6.007 0 1 HKAF C[C@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccccc1C(F)(F)F 587098176 NZLLWRBDWCFGLJ-ZETCQYMHSA-N 405.164 5.774 0 1 HKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587113921 OSXGDSDASFHGCR-SSDOTTSWSA-N 408.733 5.342 0 1 HKAF FC(F)(F)Sc1ccc(/C=C\c2nc3c(Br)ccnc3[nH]2)cc1 587125798 RJPMEXOWZIYTGC-UTCJRWHESA-N 400.223 5.503 0 1 HKAF CCCc1nc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)nn1-c1ccccc1F 587155759 GUPNHXZJMXZIGM-UHFFFAOYSA-N 423.801 5.574 0 1 HKAF Cc1cc(F)c2[nH]c(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc2c1 587165206 MRBLSSYDNSUDRM-UHFFFAOYSA-N 415.447 5.487 0 1 HKAF CCOC(=O)c1oc2c(c1C)-c1nc3cccc4c3c(c1CC2)-c1ccccc1C4=O 587206721 LSQFPTMBAIWSOD-UHFFFAOYSA-N 409.441 5.290 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(CN4CCOCC4)cs3)nc3cccc1c23 587207614 HIUHQXZUKCZNCB-UHFFFAOYSA-N 412.514 5.007 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1c(N)sc3c1CC[C@@H](C)C3)O2 587415181 QIIKAHRBCHCDNM-DLUDVSRJSA-N 418.562 5.255 0 1 HKAF COc1cc2c3c(c1)O[C@@H](C[C@@H](c1ccccc1)c1cn(C)c4ccccc14)[C@@H](C2)C3=O 587430911 LBWQUFTVDZFRRT-FBLLAGFSSA-N 423.512 5.525 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(OC)c(OC)c1)CC2=O 587480255 OGUBTVOZLFMLHQ-AREMUKBSSA-N 418.489 5.271 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3ccc(C(=O)OC)cc3)c1)CC2=O 587484349 ZVSXFVGWJHTXSR-DEOSSOPVSA-N 416.473 5.505 0 1 HKAF Cc1cccc(OCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1C 587564853 ZMGLZNZPWILQPZ-UHFFFAOYSA-N 415.209 5.420 0 1 HKAF Cc1sc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br 587612373 JTQXPSHGNOODMS-APWZRJJASA-N 417.280 5.228 0 1 HKAF Cc1c(-c2cccc(Br)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587620432 BQWCJGAEQHBBNZ-UHFFFAOYSA-N 405.093 5.545 0 1 HKAF COc1ccc(C(=O)c2c(C(F)(F)C(F)(F)F)[nH]c3cc(Cl)c(F)cc23)cc1 587629886 MLQRRTKWCQHDFB-UHFFFAOYSA-N 421.724 5.854 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cc(O)cc2Cl)N1 587695260 QQNLMYZVRFLYFO-VGDKGRGNSA-N 405.094 5.224 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc(C(F)(F)F)c2)N1 587713640 TZDXEWWLRZBLQZ-PWJLMRLQSA-N 422.647 5.884 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccc(F)cc3)s2)N1 587736762 UETDXGJELAPRSZ-MGNBDDOMSA-N 421.310 5.474 0 1 HKAF Cc1ccc([C@]2(c3ccccn3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587770077 HXKFLSQYSNJGTB-QRQCRPRQSA-N 411.318 5.118 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2(c3ccccc3)CCCC2)N1 587814168 GKZGZBPKZKDEGI-VFNWGFHPSA-N 402.351 5.850 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2C2CCCCC2)N1 587821159 SRQUXPNWIIUKJG-RCDICMHDSA-N 402.351 6.260 0 1 HKAF CC(C)[C@H]1CCc2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587822691 LZTZSTJEOWVLJB-UZSYQUHHSA-N 402.351 5.584 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1ccccc1C(F)(F)F 587871225 QOGNTXVLBRZNMP-UHFFFAOYSA-N 409.408 5.352 0 1 HKAF Fc1c(Br)cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1F 587957083 ZZEOATJBHLDURL-OAHLLOKOSA-N 413.265 5.978 0 1 HKAF CCOC(=O)c1ccc(N[C@@H](c2ccccc2)c2ccc(Br)cc2)cc1 653811094 JFMMQBUJSWJIEG-NRFANRHFSA-N 410.311 5.827 0 1 HKAF Clc1ccc([C@@]2(Cc3ccncc3)NCCc3cccc(-c4ccccc4)c32)cc1 962664122 FSXQYCRPVZWRBZ-HHHXNRCGSA-N 410.948 6.034 0 1 HKAF C/C=C/C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)[nH]nc3c2)c1 1772642464 ZACHHEAUUMPPDM-HFBQGMEHSA-N 407.473 5.479 0 1 HKAF COc1ccc(CCOCCCCCN=c2c3c([nH]c4ccccc24)CCCC3)cc1 1857573656 WZYKETQNVWSQLW-UHFFFAOYSA-N 418.581 5.386 0 1 HKAF CC(C)(O)C=CC[C@@]1(C)[C@H]2CC[C@H]3Cc4c([nH]c5ccccc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c1noc(C)c1-c1ccc2ncnc(NCc3ccc(Br)cc3)c2c1 13828584 IRXZXGCYFUDOLM-UHFFFAOYSA-N 409.287 5.276 0 3 HKAF COc1cccc([C@H](NC(C)=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1 61908709 MSXSONOFCFQQBZ-SFHVURJKSA-N 406.429 5.063 0 3 HKAF O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)NC1C[C@@H]2CCC[C@@H](C1)N2C1CC1 1368782 WOEAYXLJAHISIF-GJZGRUSLSA-N 401.860 5.028 0 1 HKAF COc1ccc2c(-c3csc(-c4c[nH]c5ccc(Br)cc45)n3)c[nH]c2c1 1863774 ZINIWQCGXMQQSK-UHFFFAOYSA-N 424.323 6.211 0 1 HKAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](COc3ccc4ccc(=O)oc4c3)C(C)=CC[C@@H]2C1(C)C 5427150 XZODJQWDEJBNRO-HUBRGWSESA-N 424.537 5.512 0 1 HKAF biogenic COc1ccc2cc1Oc1ccc(cc1)[C@H](Sc1ccccc1)CCOC(=O)CC2 5822855 ALLBCYIXUFOALQ-XMMPIXPASA-N 420.530 6.200 0 1 HKAF Ic1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 8424703 GXWFZOVGPDNGFD-UHFFFAOYSA-N 422.269 6.015 0 1 HKAF O=C(Nc1ccc2c(c1)N(C1CCCC1)C(=O)c1ccccc1S2)c1ccccc1 8608159 ZSMPMENRGTVRRP-UHFFFAOYSA-N 414.530 5.993 0 1 HKAF aggregator CCn1c(=O)n(CC)c2cc(-c3[nH]c(-c4cccnc4)nc3-c3cccc(C)c3)ccc21 14958517 SZIMRDXGLARAFL-UHFFFAOYSA-N 423.520 5.270 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 26271014 XWDAKKDQJHVMKG-LPJPOILFSA-N 410.686 8.009 0 1 HKAF Cc1cccc[n+]1CCCCCc1cccc(CCCCC[n+]2ccccc2C)c1 28861773 WFCFUGCSPVTEPD-UHFFFAOYSA-N 402.626 5.704 0 1 HKAF C[C@@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc(C(=O)c2ccccc2)c1 29411472 NVCHWGDAUAEPHA-WXVAWEFUSA-N 403.610 6.846 0 1 HKAF Clc1ccc([C@H](c2ccccc2)N2CCN([C@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)cc1 35901833 BEMCBSQBMKYLNS-WZJMRIORSA-N 423.044 6.406 0 1 HKAF O[C@](C[C@@H]1CCCN2CCCC[C@H]12)(c1ccccc1)c1ccc(-c2ccccc2)cc1 38728489 CFPXIUWNGQSGTA-RFYMFKDESA-N 411.589 6.244 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@]12C[C@@H](C(=O)O)N[C@H]1Nc1ccccc12 64625164 CDIMKTSDCHCEQN-HIXCIXFFSA-N 408.586 5.932 0 1 HKAF in-vitro CC(C)N(C[C@H](O)COc1ccccc1C(=O)CCc1ccccc1)c1ccccc1 73165231 ASZADUKGYFMBNS-DEOSSOPVSA-N 417.549 5.157 0 1 HKAF CC1CCN(C(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2ccccc2)CC1 82133214 VUVKNAWYQJDXJU-UHFFFAOYSA-N 420.944 5.281 0 1 HKAF Cc1cnc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc(-c3ccccc3)cc2)o1 82176685 XVJBPGCAXGDESD-OALUTQOASA-N 424.548 6.256 0 1 HKAF O=C(c1cnccc1Oc1cc(Cl)ccc1Cl)N1CCOc2ccccc21 95576431 UBWMCRNMTIYMMA-UHFFFAOYSA-N 401.249 5.220 0 1 HKAF OC1(c2cccc(Cl)c2Cl)C[C@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12 101185051 UTSZTPIAGJECRH-HZPDHXFCSA-N 401.337 5.489 0 1 HKAF Cc1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4Cl)CC(O)=C32)s1 103921297 IHTLIVPFMODOLO-OYLFLEFRSA-N 420.965 7.339 0 1 HKAF CCCCN(CCCC)C[C@H](O)c1nc(-c2ccc(Cl)cc2)nc2ccccc12 169334592 LAMCXKQNVLGQRK-QFIPXVFZSA-N 411.977 5.886 0 1 HKAF Cc1ccc(Oc2nc3cc(Cl)c(C#Cc4ccccc4)cc3[nH]2)cc1C(=O)O 200490804 PDRSUSNUEHCSFJ-UHFFFAOYSA-N 402.837 5.415 0 1 HKAF C[C@@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)C1 299845617 MIXABWQHZDQHOX-VFNWGFHPSA-N 418.368 5.309 0 1 HKAF CCCC(=O)Nc1ccc(CCNC(=O)c2[nH]c3ccc(Cl)cc3c2CC)cc1 299856368 BPRKVZYPOIPJKM-UHFFFAOYSA-N 411.933 5.095 0 1 HKAF CCOC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1Cn1cnc2ccccc21 473090678 ACJFLLGRMFZZLW-UHFFFAOYSA-N 422.488 5.114 0 1 HKAF Cc1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1F 587064061 LJUBHUMIZZDAFC-UHFFFAOYSA-N 419.887 6.365 0 1 HKAF Cc1c(Br)cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1C 587133177 ZNGBBTJZEMXPTL-ONEGZZNKSA-N 417.175 5.808 0 1 HKAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(C)c(F)cc4[nH]3)cc2)cc1F 587147624 PYDNSOGVFDORRT-UHFFFAOYSA-N 405.448 5.157 0 1 HKAF CC(C)c1ccc2c(c1)[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355719 GIMOGNQUUUJEOD-RSXGOPAZSA-N 418.464 5.692 0 1 HKAF Cc1ccc(C)c2c1OCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356071 HTZBNVSYFLGGTC-WIOPSUGQSA-N 404.437 5.185 0 1 HKAF COc1cccc(-c2cc(-c3cc4cccc(OC)c4o3)nc3c2oc2ccccc23)c1 587365339 GBBRNCBMBLYTMH-UHFFFAOYSA-N 421.452 7.078 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(Sc4ccccc4Cl)nc1)[C@@H](C2)C3=O 587454457 ZIGFWEPNRYYKIR-NYHFZMIOSA-N 409.894 5.384 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3ccn(C(=O)OC(C)(C)C)c3c1)CC2=O 587475733 OJHSQELBKWALRZ-QFIPXVFZSA-N 421.493 5.789 0 1 HKAF O=C1C[C@H](c2ccc(-n3ccnc3)c(Br)c2)Oc2c1ccc1c2CCCC1 587501494 IYAVAUUBOWCUCJ-OAQYLSRUSA-N 423.310 5.220 0 1 HKAF O=C1C[C@H](c2c(F)ccc(Br)c2Cl)Oc2c1ccc1c2CCCC1 587502445 FATDOMNNSXOPFS-MRXNPFEDSA-N 409.682 5.827 0 1 HKAF COc1ccc([C@@]2(Cc3cccc(F)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587504692 NCFCMOZTBAFBMJ-HHHXNRCGSA-N 416.492 5.817 0 1 HKAF O=C1C[C@H](c2cccc(-c3ccc(C(F)(F)F)cc3)c2)Oc2c1ccc1c2CCCC1 587506462 JSGLVGIJFSHSLK-XMMPIXPASA-N 422.446 6.958 0 1 HKAF COC(=O)C[C@]1(c2cccc3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587527151 WHRXIWFIJQBZPZ-SANMLTNESA-N 400.474 5.142 0 1 HKAF CC(C)COc1ccc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544000 CXNCJXPNXOSUAP-QPPBQGQZSA-N 424.880 5.783 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(C(F)(F)F)c1Cl 587550631 VPLOGIKZNPYTFN-OXJNMPFZSA-N 420.770 5.767 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCCC2)cc1F 587568827 NMDCSCNGRMSRDF-RDGATRHJSA-N 419.452 5.225 0 1 HKAF CC1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 587579872 AHRJZYVRGWIGQF-OZXSUGGESA-N 415.489 5.331 0 1 HKAF Cc1ccc(SC(C)(C)[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587607442 MTGDLBSVSYOMDK-REWPJTCUSA-N 406.503 5.602 0 1 HKAF Cc1c(Br)csc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610775 DVLBVSVUDHDBEA-CRAIPNDOSA-N 417.280 5.228 0 1 HKAF O=C(c1c(-c2ccc(OC(F)F)cc2)[nH]c2cc(Cl)c(F)cc12)C(F)(F)F 587629613 FBGIVEBCMOQVDQ-UHFFFAOYSA-N 407.697 5.974 0 1 HKAF Nc1c(Cl)cc(Cl)cc1C(=O)Oc1c(-c2ccccc2)[nH]c2cccc(F)c12 587633314 ZKEPBARCENLVNW-UHFFFAOYSA-N 415.251 6.082 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccccc3C(F)(F)F)c2c1 587639901 FHDOIZQGCSKNLO-NSHDSACASA-N 413.361 6.950 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)cc(Cl)c2)N1 587698820 JUNXLGQTZXLMHB-HUTHGQBESA-N 403.122 5.693 0 1 HKAF CCOc1cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)ccc1C 587778302 KXAGRUINSPIHFX-UHFFFAOYSA-N 415.209 5.598 0 1 HKAF CC/C=C/C[C@H]1[C@H](CC(=O)O)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587829626 RNYXARJDJOEHIY-KIELVOHLSA-N 424.354 5.175 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=Cc3c(ccc4ccccc34)OC2)N1 587835567 PXLZZSQFFPRPRS-JCQPUDPBSA-N 424.313 5.793 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1cccc(F)c1 587855625 NGVPKVBRIBYMRU-UHFFFAOYSA-N 410.301 5.640 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C12CC3CC(CC(C3)C1)C2 587862448 OEIYTZVICGTMTH-UHFFFAOYSA-N 404.432 5.434 0 1 HKAF CCCC[C@@H](CNC)N1CCN(CCC23CC4CC(CC(C4)C2)C3)[C@H]([C@@H](C)CC)C1 653723974 WNUIPHOLXVRYFV-PEEKXLACSA-N 417.726 5.403 0 1 HKAF Cc1ccc(C2=CSC3=NC4=C(CSc5ccccc54)[C@H](c4ccccc4)N23)cc1 653895774 NWHRQMAERSLEEM-VWLOTQADSA-N 424.594 6.970 0 1 HKAF COc1cccc([C@]2(c3cc(C)ccc3C)NCCc3cc(-c4ccccc4)ccc32)n1 962657787 DFNDZHZUDQWCIZ-LJAQVGFWSA-N 420.556 5.812 0 1 HKAF Cc1ccc(C[C@@]2(C(F)(F)F)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962701357 KBUCARHLAFGWJS-UWJYYQICSA-N 409.492 5.498 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)C(Cc2ccc(C)cc2)(Cc2ccc(C)cc2)N1 962949745 QNUHUGFIQXKUNJ-XMMPIXPASA-N 408.589 6.390 0 1 HKAF CCCCCCOc1ccccc1[C@H]1c2ccsc2CCN1Cc1cccnc1 962994221 CIVBTNACPJOZHJ-VWLOTQADSA-N 406.595 6.250 0 1 HKAF COc1cccc2cc3c(nc12)[C@@](CCc1ccccc1)(c1cc(C)ccc1C)NCC3 963059032 RZDGHQGXFYKRJR-GDLZYMKVSA-N 422.572 5.882 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC(=O)C(F)(F)F)c1ccc(Cl)s1 963258140 NXZUEPBODAGRIW-BFUOFWGJSA-N 415.908 5.823 0 1 HKAF CN1CCc2c(Br)cccc2[C@@]12CCc1cc(Br)ccc1C2 963280053 LJCSJZPGGIFVLY-IBGZPJMESA-N 421.176 5.084 0 1 HKAF CN1CCc2c(Br)cccc2[C@@]1(c1ccc(Cl)cc1)C1CCCC1 963288842 GBWNOBBIIRXWGG-NRFANRHFSA-N 404.779 6.024 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](c3ccsc3)Nc3c(ccc4c3CCCC4)[C@H]21 1857550731 QXEBBPGCVMMMOF-TUNNFDKTSA-N 410.583 6.092 0 1 HKAF Cc1ccc(OCCc2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1C 1857614523 GBJYWCCTKBGYBA-UHFFFAOYSA-N 400.566 5.247 0 1 HKAF O=C(c1ccc(-c2ccccc2)cc1)N(c1nccc2ccccc12)[C@@H]1CCCNC1 1857752346 SJRIWRFBPGSPPK-XMMPIXPASA-N 407.517 5.301 0 1 HKAF COc1ccc(OC)c2c1C[C@H]1c3cc([C@@H](C)c4ccccc4)sc3CCN1C2 1857757453 DCNMWUAKTCVIOB-KKSFZXQISA-N 405.563 5.573 0 1 HKAF C[C@H]1CC[C@]2(NC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5CCC=C(O)[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 2356332116 ABWGJSLIJIBLBD-ODFRGKLDSA-N 413.646 6.058 0 1 HKAF CC(=CCC[C@](C)(O)CCCc1ccoc1)CCC[C@H](C)C=C1OC(=O)C(C)=C1O 2356532079 QFBUNOKEKXMSCV-DFBJGRDBSA-N 416.558 6.159 0 1 HKAF O=C(O)CCC=CC[C@@H](CCCCCC[C@@H]1C=C(CO)CC1)Cc1ccc(O)cc1 2356633209 QAMRKKHMHVUAKC-YADHBBJMSA-N 414.586 6.031 0 1 HKAF CC1=CC[C@@H]2[C@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)O 2356693211 BSSGYOHVEPJDRQ-IRXITSINSA-N 422.562 5.064 0 1 HKAF CC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]3Cc4cc(O)ccc4O[C@]3(C)CC[C@@H]12 2356739455 BNRLGSUWUGMYKJ-IWICPCASSA-N 410.598 6.314 0 1 HKAF C[C@H]1CC[C@]2(NC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 2356747421 RNRSCNSOTUEDQF-SPZGTFFFSA-N 412.662 5.253 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1[C@H](O)CC[C@]2(C)[C@@H]1C[C@H](O)[C@@H]2[C@H](C)C=CCC(C)C 2356790666 FVJIHTMQQWXGDJ-RIZDQLMDSA-N 414.630 5.646 0 1 HKAF CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C(=O)O)CC4=C(C(=O)O)CC[C@@H]4[C@]4(C)C[C@@H]4[C@H]3[C@@H]12 2356863717 VHYIXEUPLWPJOV-AVNDWSJZSA-N 400.559 5.377 0 1 HKAF Cc1cc(O[C@H](C)c2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2ccccc2n1 11686918 GSBQRUQGRWSSFO-QGZVFWFLSA-N 407.477 5.530 0 1 HKAF O=C(Nc1ccc(Cl)cc1)N[C@H]1CCC[C@H](NC(=O)Nc2ccc(Cl)cc2)C1 13493797 XBWNJGQLNCAOLX-ROUUACIJSA-N 421.328 5.248 0 1 HKAF CC[C@@]1(c2ccc(CNc3ccccc3)cc2)Oc2ccccc2-n2cccc2C1=O 13675331 JNJMKXNEZVZYHV-MHZLTWQESA-N 408.501 5.970 0 1 HKAF CCCCC[C@H](C)C/C=C\C/C=C\C/C=C\C/C=C\CC[C@H](C)C(=O)NCCF 13766113 MHVQQJCJBNFDST-KTADQZMGSA-N 405.642 7.490 0 1 HKAF c1ccc2c(NCCCCCCCCNc3ccncc3)c3c(nc2c1)CCCC3 13801253 HAAQFCDOAGMIPV-UHFFFAOYSA-N 402.586 6.373 0 1 HKAF CC(C)=CCN1c2cc(Br)ccc2[C@@]2(CC=C(C)C)CC(=O)N(C)[C@@H]12 15217250 UKUFKGOAWMVCIL-LEWJYISDSA-N 403.364 5.018 0 1 HKAF biogenic CN1C(=O)[C@H](Cc2ccc3ccccc3c2)N=C(c2ccccc2)c2cc(Cl)ccc21 26993597 OQBCDJKBSURKLU-DEOSSOPVSA-N 424.931 5.918 0 1 HKAF C[C@H](C(=O)OCC(=O)c1ccccc1)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27556071 QPPLHRWKCMWRRN-DBVUQKKJSA-N 422.546 5.311 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CCN[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3 27990535 FXYWZSZQPOXFIV-DIADYQGESA-N 415.706 6.875 0 1 HKAF COc1cc(COc2ccc(-c3nn(C)cc3-c3ccncc3)cc2)nc2ccccc12 35919711 BAKYRZWLXMZDHC-UHFFFAOYSA-N 422.488 5.285 0 1 HKAF O=C(c1ccccc1)N1N=C(c2ccccn2)C[C@@H]1c1ccc(Oc2ccccc2)cc1 42923646 FLWONQIUWUIUMO-AREMUKBSSA-N 419.484 5.865 0 1 HKAF CN(C)C12CCN(Cc3ccccc3)C([C@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 45245662 DJKNYMFRKAULGK-IQSWHWFKSA-N 410.605 5.923 0 1 HKAF COc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)sc2CC(=O)O)cc1 45372104 LQZPMNBKIAFLLB-UHFFFAOYSA-N 417.486 5.905 0 1 HKAF COc1ccccc1[C@@H]1S[C@@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccc(F)cc1 49803905 JWESMYAXISKMKG-FUDKSRODSA-N 424.472 5.679 0 1 HKAF Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4ccc(F)cc43)cccc2cn1 59259618 QTLBTSMPTYIABU-LJQANCHMSA-N 415.415 5.005 0 1 HKAF CCOc1ccc2c3c(oc2c1)C(C)(C)c1cc(OCCN(CC)CC)ccc1C3=O 71334904 MVRHUUSYWROLBH-UHFFFAOYSA-N 421.537 5.422 0 1 HKAF CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(N(CC)CC)cc1 100704780 FGVHYDPQSPIWEA-GOSISDBHSA-N 424.570 5.354 0 1 HKAF Fc1ccc2c(CCCCN3[C@@H]4CCC[C@@H]3c3c([nH]c5cccc(F)c35)C4)noc2c1 100758119 RVCVITJTEQPETF-OPAMFIHVSA-N 421.491 6.062 0 1 HKAF COc1ccc(-c2c(C)noc2[C@H]2[C@@H](c3ccc(Cl)cc3)C[C@H]3CC[C@H]2N3C)cc1 101165983 MRFZMPJKMYTXDM-YJRNTSOCSA-N 422.956 6.046 0 1 HKAF COc1ccc(CN(CCc2ccccc2)Cc2ccc(Cl)c(Cl)c2)cc1O 103277637 SARQHCXJNLAYCT-UHFFFAOYSA-N 416.348 5.953 0 1 HKAF CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2ccccc2C)C2=C(O)CC(C)(C)CC2=N1 104004365 LWHBDGPBOLBRRN-HSZRJFAPSA-N 415.537 5.781 0 1 HKAF CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(C)o2)C2=C(O)CC(C)(C)CC2=N1 104005572 AYKGWMOQYAHDMK-XMMPIXPASA-N 419.521 5.818 0 1 HKAF Cc1csc(Nc2ncc(SCc3ccccc3)cc2Oc2ccccc2)n1 115872973 ICFDGIUNTZOZLF-UHFFFAOYSA-N 405.548 6.675 0 1 HKAF COc1cccc(Cl)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 166832862 IKCZHNQGMYTGED-GJZGRUSLSA-N 417.786 5.059 0 1 HKAF Cc1cccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1 168377721 XEALUAITBGZBLD-BGYRXZFFSA-N 411.498 5.177 0 1 HKAF O=C(C1CCN(c2ncccc2Cl)CC1)N(CC1CC1)c1ccc(Cl)cc1 169340857 WUBCYSSIRVGHNL-UHFFFAOYSA-N 404.341 5.048 0 1 HKAF Cc1ccc(/C=C2\CN3[C@@H]4CC[C@@H]3[C@@H](COC(=O)c3ccccc3)[C@@H]2C4)cc1Cl 169368734 PNDOIIRQADCQOY-RJECATFVSA-N 407.941 5.372 0 1 HKAF CC1=C[C@@H]2c3cc([C@@H]4CC(=O)c5c(O)cc(O)cc5O4)c(O)cc3OC(C)(C)[C@@H]2CC1 238787963 OFLLWFQGLTWNOR-ZVGUJKQYSA-N 422.477 5.121 0 1 HKAF O=C(O)CC/C=C\C[C@@H]1CO[C@@H](c2ccc(C(F)(F)F)cc2)O[C@H]1c1cccnc1 253713845 XOQYYYDNOJHZEH-VYSBBFIWSA-N 421.415 5.314 0 1 HKAF CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4[C@H](CC[C@H]5C(C)(C)C(=O)CC[C@@]45C)[C@]3(C)CC[C@]12C 255197255 AVHGSHJBWASVAK-QCGIGPCTSA-N 424.713 8.233 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC=C3[C@H]4CC[C@H]([C@H](C)/C=C\CC(C)C)[C@@]4(C)CC[C@H]32)C1 255279107 WYYWMDKEJYOPEU-DRXCMFLVSA-N 424.669 7.656 0 1 HKAF O=c1c2ccccc2nc(-c2ccccc2/C=C/c2ccccc2)n1Cc1ccccc1 299866699 WFZVVRDCUCXFCB-FMQUCBEESA-N 414.508 6.282 0 1 HKAF Oc1c(-c2ccccc2)cccc1-c1nc2c(Br)cnc(Cl)c2[nH]1 586896946 VCCWMNPOUKMSBL-UHFFFAOYSA-N 400.663 5.413 0 1 HKAF Oc1ccccc1C1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CC1 586897287 YSTVHVROHPGJJU-UHFFFAOYSA-N 413.193 5.010 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(F)ccc3-n3ccnc3)nc3ccc(O)c1c23 586988547 LGGXGQFUEVYJKO-UHFFFAOYSA-N 407.404 5.144 0 1 HKAF CCN(CC)S(=O)(=O)c1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1 587056069 YMJYVEHTGOWBBY-FLIBITNWSA-N 424.353 5.071 0 1 HKAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587068686 AZTDYXKKZZJPTI-SNVBAGLBSA-N 421.772 5.539 0 1 HKAF Oc1ccccc1-c1cc(-c2nc3ccc4ncccc4c3[nH]2)c2cccc(Cl)c2n1 587082384 MBHZNDVRSZVXAE-UHFFFAOYSA-N 422.875 6.352 0 1 HKAF CC(C)Oc1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587109271 FPNIAYGFGGGEOT-UHFFFAOYSA-N 402.338 5.979 0 1 HKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587111868 BNBZUPMITMLWGG-HNNXBMFYSA-N 408.423 6.159 0 1 HKAF CSc1ccc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c2c1 587113394 IVAUFGGLBBMZJX-UHFFFAOYSA-N 411.474 5.176 0 1 HKAF CC(C)[C@H](c1nc2cccc(OCc3ccccc3)c2[nH]1)N(C)C(=O)OC(C)(C)C 587198107 UBECIVGXPGXWHZ-OAQYLSRUSA-N 409.530 5.706 0 1 HKAF Fc1cc(Br)cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 587232658 YFMGPIRCDMNEQT-UHFFFAOYSA-N 400.251 5.014 0 1 HKAF Oc1ccc(Nc2cccc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2)cc1 587241839 BGUQQFCKJBTOFO-UHFFFAOYSA-N 403.791 6.351 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(SC)ccc2C3)c1 587366005 PPOYYMJTAKVEKE-UHFFFAOYSA-N 409.510 6.950 0 1 HKAF COC(=O)N[C@H](c1ccccc1)C(C)(C)[C@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 587385654 DPZRDXSBEJSELC-RCZVLFRGSA-N 424.541 5.061 0 1 HKAF CC(C)=CCC/C(C)=C\CC/C(C)=C\CC[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587403625 PDXHZSJMBAGZPA-VVUAKCKUSA-N 409.614 7.501 0 1 HKAF COc1cc2c3c(c1)O[C@](CCC(=O)c1cccs1)(c1cccs1)[C@@H](C2)C3=O 587450971 MLBMAVHVKXSYJY-NYHFZMIOSA-N 410.516 5.124 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3ccc(Br)cc3n1)CC2=O 587458235 IDOCSHRRXZKELY-FQEVSTJZSA-N 412.283 5.362 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(F)(F)F)ccc1C(F)(F)F)CC2=O 587461465 MTLREMXTGKMFQM-KRWDZBQOSA-N 418.333 6.089 0 1 HKAF O=C1C[C@](c2cccnc2)(c2ccc(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 587508890 UTLMZTMNONPRAJ-DEOSSOPVSA-N 424.327 6.176 0 1 HKAF Cc1ccc(C)c(-c2n[nH]cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587592319 XZGXPYQOQQPDQP-SQJMNOBHSA-N 412.445 5.102 0 1 HKAF CCn1c2ccccc2c2cc(NC(=O)c3c(C)[nH]c4ccc(F)c(Cl)c34)ccc21 587632514 XVDSTXGCAZONTO-UHFFFAOYSA-N 419.887 6.649 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccc(C(F)(F)F)cc2)N1 587709716 AQBCRZAWMMUJOP-BZNIZROVSA-N 416.256 5.815 0 1 HKAF CCCOc1c(OCC)cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587789965 DJJUAKOEDIIFRE-ZUOKHONESA-N 422.338 5.399 0 1 HKAF CC[C@@]1(c2ccc(OCC(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587795816 RUZMADSUXQDDMQ-QRQCRPRQSA-N 420.366 5.811 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](OCc3ccccc3)C2(C)C)N1 587809547 ISRJORBERPTCFG-JVJLVOBOSA-N 418.350 5.333 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3cccc4c3c2CC4)N1 587816102 UEJLQUZSZLJDDZ-ZLOXQWCVSA-N 410.330 5.638 0 1 HKAF CCCCCC[C@]1(c2ccc(O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587834688 SUJKIPUYNOAPFJ-IVZQSRNASA-N 420.366 6.042 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)s2)N1 587849307 SIWAMNBUWSPZSG-AYVTZFPOSA-N 419.157 5.210 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc3ccccc3c2Cl)N1 587852375 GAENLTOTNUQJNK-VVVCHXIZSA-N 410.739 6.080 0 1 HKAF COc1cccc(-c2cc(O)cc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c2)c1 587933629 TZUVDBIFLUDUPV-UHFFFAOYSA-N 402.347 5.769 0 1 HKAF COc1c(OC/C=C(\C)CCC=C(C)C)cc(O)c2c(=O)cc(-c3ccccc3)oc12 653757796 BFUMGTLXQSQLQR-QGOAFFKASA-N 420.505 6.246 0 1 HKAF FC(F)(F)c1ccc(/C=C\c2cc3ccccc3nc2Cl)c(C(F)(F)F)c1 653793327 ZTBNVTNVKVVWPF-WAYWQWQTSA-N 401.737 7.096 0 1 HKAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@H]2c1ccn(C2CCCC2)c1 962958656 OWQUSHHFDQKQJK-NRFANRHFSA-N 404.476 5.363 0 1 HKAF O=C(Nc1ccc(F)c(Cl)c1)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 1857545418 ZBENQXATCDLKBU-IBGZPJMESA-N 421.324 6.374 0 1 HKAF Cc1ccc(N(C(=O)c2ccc[nH]2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 1857607292 OKDRUGZFWYLJQM-DEOSSOPVSA-N 415.537 5.160 0 1 HKAF Nc1ccccc1NC(=O)c1ccc(CSc2ccc(C(F)(F)F)cn2)cc1 1857615918 FXVDVEUASRDZEY-UHFFFAOYSA-N 403.429 5.227 0 1 HKAF CC[C@]12CCCC(C)(C)[C@@H]1CC[C@]1(C)[C@@H]2C[C@H](O)[C@]2(C)C3=C(CC[C@@H]21)[C@@H](C)OC3=O 2356336092 IWRWTZUVBMXROH-YWGUACGRSA-N 414.630 6.048 0 1 HKAF C[C@](O)(CCCCCCCCC=CC=Cc1ccccc1)C[C@@]1(C)OC(=O)C[C@@H]1O 2356344502 BBUUFCRHKRIKHW-AYRHNUGRSA-N 414.586 5.584 0 1 HKAF C[C@@H](CCCO)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@]35CC[C@]12C 2356460174 LPOODSGXYAZRMM-IRIJOCFFSA-N 400.647 6.403 0 1 HKAF COc1ccc2c(=O)c3c(oc2c1)O[C@](C)(CCC=C(C)CC(=O)CC(C)C)[C@H]3C 2356647875 WODHGNNMBPUNHS-SSOJOUAXSA-N 412.526 5.788 0 1 HKAF O=C(Nc1ccc(O)c2c(=O)cc(-c3ccccc3Cl)oc12)c1ccc(F)cc1 13661144 DXAOVSJMVRJAFB-UHFFFAOYSA-N 409.800 5.210 0 3 HKAF CC(C)(C)c1noc(-c2ccc(-c3ccccc3)cc2)c1C(=O)N[C@H]1CCCC[C@H]1O 775487 JGXLUJHMLXKRCO-LEWJYISDSA-N 418.537 5.339 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@@]21C 2557441 HKHHYUSFWJROEJ-BOTWBMJRSA-N 404.679 6.584 0 1 HKAF biogenic CCOC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2c1cc(O)c1[nH]c3c(c12)CCCC3 5844644 ORFLNEXNANZXDB-UHFFFAOYSA-N 422.912 5.835 0 1 HKAF O=C(Nc1cccnc1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 6783287 OCHGENKYUUTMMX-YADHBBJMSA-N 417.534 5.005 0 1 HKAF C[C@H](c1ccc2c(c1)Cc1ccccc1-2)N1CCC(N2C(=O)Cc3ccccc32)CC1 13579332 QPOLDKMLCWYJNP-LJQANCHMSA-N 408.545 5.373 0 1 HKAF CCCCc1ncc(/C=C(\Cc2ccc(O)cc2)C(=O)O)n1Cc1ccccc1Cl 13728129 ROGVIUSWIKTOOP-XMHGGMMESA-N 424.928 5.344 0 1 HKAF C/C(=C\c1cc(CC(=O)N(C)CCc2ccccc2)ccc1-c1ccccc1)C(=O)O 13758649 JERHUSLXPUAOKH-LVZFUZTISA-N 413.517 5.085 0 1 HKAF CCCCCCN[C@@H](c1ccc(O)cc1)[C@@H](NCCCCCC)c1ccc(O)cc1 27883736 PYRRFJMLFGBSEJ-UIOOFZCWSA-N 412.618 6.220 0 1 HKAF CCOC(=O)c1cc2c3ccccc3n(Cc3c(F)c(F)c(F)c(F)c3F)c2cn1 35067626 YREANTURRZTFJT-UHFFFAOYSA-N 420.337 5.110 0 1 HKAF CCCSC(=S)SCC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2)s1 40849058 RQBYQWASRFBDRN-CYBMUJFWSA-N 423.650 5.583 0 1 HKAF CCCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc(F)cc2)n1 82136326 ZIGWAYSBSHLCGD-SLWXAUBPSA-N 424.564 5.295 0 1 HKAF CC1(C)C=C2[C@@H]3CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 84154611 NQIUPAJMEMKVPU-IBNURMDSSA-N 424.713 8.377 0 1 HKAF biogenic,in-vitro Cc1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)OCC[C@H]2[C@H]1SC(=O)NC1=O 88342347 SGHUCSVYRLZAQT-RHSMWYFYSA-N 423.412 5.024 0 1 HKAF CCOC(=O)c1c(-c2cccc(Oc3ccccc3)c2)[nH]c2cc(OC)ccc2c1=O 95552265 PZODNGYXJBSPAW-UHFFFAOYSA-N 415.445 5.173 0 1 HKAF COc1cccc(/C=C/c2ccncc2-c2cnccc2/C=C/c2cccc(OC)c2)c1 95921463 JVHCMXRLCDTDAX-WGDLNXRISA-N 420.512 6.502 0 1 HKAF CN(C)c1ccc([C@@]2(c3cc(C(C)(C)C)ccc3O)C(=O)Nc3ccccc32)cc1 96937501 XYRHPUWPPBFGJZ-AREMUKBSSA-N 400.522 5.042 0 1 HKAF CC[C@@H](C)C(=O)C[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 100638910 VFGNLHHTEBTKIV-NJYVYQBISA-N 413.602 5.797 0 1 HKAF CCOC(=O)c1cn(C)c2ccc(F)cc2/c1=N/c1ccc(-c2ccccc2)cc1 103133884 RIRMXLOQXMJPSL-PNHLSOANSA-N 400.453 5.394 0 1 HKAF CCCNC[C@@H](O)COc1c(C(C)(C)C)cc(/C=C/c2ccccc2)cc1C(C)(C)C 169315715 CACPUSBXBALDSD-WOOPDLCSSA-N 423.641 6.191 0 1 HKAF COc1ccc(Cl)c2c1CCC(CN1CCC(c3ccc(Cl)cc3)CC1)=C2 169324727 OMXBAIDFXCCGRN-UHFFFAOYSA-N 402.365 6.211 0 1 HKAF O[C@H](C[C@H]1CCCCN1)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12 169333424 IHPKYBIMUMGNRB-IIBYNOLFSA-N 401.337 5.774 0 1 HKAF Clc1ccc([C@H](c2ccccc2)N2CCN([C@@H]3CC[C@H]4CCCC[C@H]4C3)CC2)cc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c1cc(OCc2ccc3ccccc3n2)ccc1[C@@]1(c2ccccc2)C[C@H]2CC[C@H]1C2 261127947 KNYWUTUCLAODJW-FWMKOTLJSA-N 421.540 6.626 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CCC(=O)C[C@@H]1C[C@H]3O 261496198 HHVQPBXBALLUDF-RGYIGBEPSA-N 418.662 5.618 0 1 HKAF endogenous,in-man CC(=O)n1c2cccc(Br)c2c2cc(-c3ccc4ccccc4c3)nnc21 299828462 WCCDXXLSJHOFED-UHFFFAOYSA-N 416.278 5.827 0 1 HKAF CC(C)C[C@@H](NC(=O)Cn1ccc2cc(-c3cccc4ccccc34)ccc21)C(=O)O 299831104 AFTDNGSNOSIHDJ-HSZRJFAPSA-N 414.505 5.077 0 1 HKAF CCSc1nc(Nc2cccc(O)c2)c2cnn(C[C@H](C)c3ccccc3)c2n1 299856791 CCXWTKZSYDAQLZ-HNNXBMFYSA-N 405.527 5.191 0 1 HKAF Brc1ccc(Br)c2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc12 586884543 QTHOLCPDERBQBQ-BHGXRVDKSA-N 410.153 5.556 0 1 HKAF Brc1ccc(Br)c2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc12 586884545 QTHOLCPDERBQBQ-IJZKUYQOSA-N 410.153 5.556 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(Cc4ccccc4)cc3)nc3ccc(O)c1c23 586991140 JPJOYCNGUGXRRP-UHFFFAOYSA-N 413.476 6.410 0 1 HKAF Nc1nc(-c2cccc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c2)cs1 587022332 WFCGFUFKUMNVRR-UHFFFAOYSA-N 400.532 6.087 0 1 HKAF FC(F)(F)c1cc(Br)cc2nc(CNc3ccccc3Cl)[nH]c12 587061148 BHMGAYNWLCDOIN-UHFFFAOYSA-N 404.617 5.610 0 1 HKAF O=C1c2ccccc2-c2cc(CCc3ccc(Br)cc3)nc3cccc1c23 587101464 HCVSFFAQMGGARV-UHFFFAOYSA-N 414.302 5.994 0 1 HKAF Cc1cc(C)c2c(N)c(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)sc2n1 587102099 QBXYUCREMZCSMT-UHFFFAOYSA-N 421.525 6.230 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc4ccccc4c3OC(F)F)nc3cccc1c23 587104493 XFDUKJDZQYOHIE-UHFFFAOYSA-N 423.418 6.868 0 1 HKAF FC(F)(F)c1ccc2ncc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)cc2c1 587111874 IKHOWDWLGPCPCD-UHFFFAOYSA-N 415.724 6.469 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4ccc(C(=O)N(C)C)cc4[nH]3)c(Cl)c2)cc1F 587145143 JGZWZNZWFMYMMX-UHFFFAOYSA-N 407.876 5.700 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4ccc(Br)cc4[nH]3)c(Cl)c2)cc1F 587145641 OWPYMALCYQDMHN-UHFFFAOYSA-N 415.693 6.760 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(F)cc(-c4cccc(OC)c4)c3)nc2c1 587160588 XDZHMAWVDVNQKZ-UHFFFAOYSA-N 410.832 5.485 0 1 HKAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 587164179 XQPWEGCOVPRLGL-UHFFFAOYSA-N 400.331 5.499 0 1 HKAF Cc1cc2[nH]c(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc2c(C)n1 587165803 KKBPGHVVIMEXAH-UHFFFAOYSA-N 412.472 5.051 0 1 HKAF Cc1cc(Cl)cc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 587183247 WASZWMKTWTYIPZ-UHFFFAOYSA-N 403.050 5.450 0 1 HKAF Nc1ccc2oc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)cc2c1 587251472 FMQQKVBYSFHBIP-UHFFFAOYSA-N 412.165 5.219 0 1 HKAF Cc1ccc2c(c1C)OCCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355724 GLFORYKGFYMTLD-BVAGGSTKSA-N 418.464 5.575 0 1 HKAF CCC[C@@H](C)OC(=O)Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587362410 HCCGKFZZWNXJEQ-MRXNPFEDSA-N 403.478 5.931 0 1 HKAF COc1cccc(-c2cc(/C=C(/C)Nc3ccccc3)nc3c2oc2ccccc23)c1 587362731 LQEWBDLEXIIKLH-SDXDJHTJSA-N 406.485 7.130 0 1 HKAF COc1ccc2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2c1Br 587370011 AKZMOHSVQAHLTI-IBGZPJMESA-N 412.283 5.208 0 1 HKAF CCSc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587370881 YKUNJFIFGTXJGI-ISKFKSNPSA-N 408.494 5.918 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(c3ccccc3)Oc3cc(C)c(Cl)cc31)O2 587380580 WNRQLPHBNLUDLG-RUZDIDTESA-N 417.892 5.833 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCC)(c1ccc(Br)c(C)c1)CC2=O 587456992 UHIKMKKMBORTBD-JOCHJYFZSA-N 417.343 6.076 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(C1CC1)CC2=O 587457644 LXOWSOHKDWDZDO-NRFANRHFSA-N 401.300 5.378 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cccc(C(=O)O)c3)cc1)CC2=O 587491412 VIXKBGPFPVQOIN-QHCPKHFHSA-N 402.446 5.416 0 1 HKAF O=C1C[C@@H](c2ccccc2-c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587510980 ZGTTWTIZGKLKHO-DEOSSOPVSA-N 422.446 6.958 0 1 HKAF CCOC(=O)C[C@]1(c2ccc3ccccc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587522213 GEDXKZVWBOKSAZ-MHZLTWQESA-N 414.501 5.533 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)nc1C(F)(F)F 587555995 NDVCTIQGSYDJEG-CRAIPNDOSA-N 421.758 5.162 0 1 HKAF COc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599885 IPIMZXAYFCKHNB-SHQCIBLASA-N 424.452 5.306 0 1 HKAF Cc1ccc([C@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3c(C)cc(Cl)cc23)cc1 587623864 ANAYXYRPMJBGQP-FQEVSTJZSA-N 424.327 6.975 0 1 HKAF Cc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2-n2ccnc2C(C)C)cc1C 587649642 AGJKLWHHQMVJRG-UHFFFAOYSA-N 407.539 5.164 0 1 HKAF COc1ccc(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587700558 ZGDODFMVFGBCAY-WYRIXSBYSA-N 412.730 5.242 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(OCC3CC3)c2)N1 587718284 MYNCFYLUFFMEOR-BIBXISHDSA-N 408.286 5.140 0 1 HKAF COc1ccc(Cl)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F 587718536 NIRYNBNKQDAOIY-CQLKUDPESA-N 402.666 5.013 0 1 HKAF COc1ccc(C[C@H](C)[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587726164 VLDGXJKVILSNDI-XXRNEEKGSA-N 410.302 5.190 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2c2ccccc2n3C)N1 587755274 HKMOYDYDDSPGRA-MCMMXHMISA-N 413.334 5.194 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(-c4ccccc4)cc32)N1 587817625 MRTRQQFHNZCIIE-IZHWHUGBSA-N 422.341 5.979 0 1 HKAF CC(C)c1ccc(C[C@@H](C)[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587821965 YZTCPPKOONHIQE-HLFMIMNKSA-N 404.367 6.166 0 1 HKAF CC[C@]1(c2ccc3c(c2)CCCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 587834012 JQWLKZJSLVMCKT-LRTDBIEQSA-N 404.323 5.101 0 1 HKAF Cc1ccc(-c2nc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cs2)cc1 587849539 AOLOITYEXVWADB-HXPMCKFVSA-N 417.347 5.644 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc3ccc(Cl)nc23)N1 587857517 KVKAXTOQPKJOSY-VPTHRUTESA-N 411.727 5.475 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3sccc3nc2Cl)N1 587857749 MVMRCJZHYNECFS-VPTHRUTESA-N 411.727 5.475 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1cccc(Cl)c1 587865039 PCIXANXCBQFUMO-UHFFFAOYSA-N 408.807 5.504 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1cc(C)ccc1C 587866970 OMKVQIUHGPEPEY-UHFFFAOYSA-N 419.472 5.830 0 1 HKAF O=C(OCc1ccccc1)N1CCC[C@H](c2nc(-c3cccc(Cl)c3)cs2)C1 587920279 HCBWSSUHAPTGCQ-SFHVURJKSA-N 412.942 5.980 0 1 HKAF CC[C@@]1(Cc2nc3cc(Br)c(C)c(C)c3[nH]2)CC(=O)c2ccccc2C1 587961799 UWNZWKVQFBKXIM-QFIPXVFZSA-N 411.343 5.710 0 1 HKAF Cc1ccoc1C(=O)Nc1ccc(N2Cc3cc(Cl)ccc3C2=O)c(Cl)c1 653733750 HYHWSRWYMPPWAU-UHFFFAOYSA-N 401.249 5.308 0 1 HKAF Fc1ccc([C@]2(C3CCCCC3)NCCc3cc(-c4ccccc4)ccc32)c(F)c1 962660468 CNBZQBFUFJMWJT-HHHXNRCGSA-N 403.516 6.601 0 1 HKAF CSc1ccccc1[C@@]1(c2ccsc2)NCCc2cccc(-c3ccccc3)c21 962668786 RBMXJFOJQRNRRN-AREMUKBSSA-N 413.611 6.575 0 1 HKAF Cc1ccc([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c2ccccc12 962955932 MLLKAQZRZONENV-QHCPKHFHSA-N 411.467 5.908 0 1 HKAF Cc1sc2c(c1C)CCN[C@@]2(CCc1cccc(F)c1)c1ccc(Cl)cc1F 963012554 QENDTCFRXJIGGH-QHCPKHFHSA-N 417.952 6.319 0 1 HKAF COC(=O)c1ccc([C@@]2(CCC(F)(F)F)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963095187 CLRAQCHDAVVYEF-KNQAVFIVSA-N 421.434 5.219 0 1 HKAF Fc1cccc2c1[C@](c1ccccc1CN1CCSCC1)(C1CC1)N1CCC[C@@H]1C2 963102474 MWJQAOVDQDDQJH-ATIYNZHBSA-N 422.613 5.049 0 1 HKAF COc1cc(OCc2ccccn2)ccc1/C=C/c1cc(/C=C/c2cccn2C)n[nH]1 1772628254 UPBWDLRYTJAUMH-REVVXPLQSA-N 412.493 5.072 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C/C/C=C\CCC(=O)N[C@@H](CO)C(=O)O 1857580931 XUVNWEALAJSOLD-YZZHJVNESA-N 415.574 5.026 0 1 HKAF COc1ccc(-c2c(C)[nH]c3c(C4=CCCCC4)c(-c4ccccc4)nn3c2=O)cc1 1857603631 ZHNMTNRIYSSSJS-UHFFFAOYSA-N 411.505 5.631 0 1 HKAF CC(C)(C)c1ccc(SCc2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)cc1 1857606819 MZQBZGFWSIPDGB-SFQUDFHCSA-N 416.590 6.511 0 1 HKAF CSc1ccc(/C=C2/C(C)=C([C@@H](C)C(=O)NCCN(C)C)c3cc(F)ccc32)cc1 1857636941 NNBKZCGLDGWASW-VVRYKASASA-N 424.585 5.189 0 1 HKAF O=C(Cc1ccc(Cl)cc1)Nc1ccccc1-c1cccc2c1[nH]c1ccccc12 1857757178 BUCZDHCYRXRELM-UHFFFAOYSA-N 410.904 6.823 0 1 HKAF CC(C)CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)C=C[C@@]3(CC[C@H]2[C@@]1(C)C(=O)O)C4 2356384029 JGWDLHUEZNKLAX-BAGMSWPUSA-N 402.575 5.608 0 1 HKAF CO[C]1C=CC(=C2C=C(C(=O)Nc3ccccc3)C=C(c3ccc(OC)cc3)O2)C=C1 2356850236 UILIBQUOUYNJIV-UHFFFAOYSA-N 412.465 5.190 0 1 HKAF CC(C)(C)c1ccc(CC(=O)N2CC[C@]2(C)C(=O)Nc2cccc3c2CCCC3)cc1 61905363 HBZKNLYVPRIYHQ-HHHXNRCGSA-N 418.581 5.035 0 3 HKAF CCCCN(CCCC)CCCOc1ccc(C(=O)c2cn3ccc(C)cc3n2)cc1 3776124 OTANKOIOWJWUIZ-UHFFFAOYSA-N 421.585 5.545 0 1 HKAF COc1cc(O)cc(O)c1C(=O)[C@H]1CC(CCC=C(C)C)=CC[C@@H]1c1ccccc1 13410540 LPKJICQWVHIRIV-YADHBBJMSA-N 406.522 6.156 0 1 HKAF biogenic COc1ccc(-c2oc3cc(OC)ccc3c2-c2cc(OC)c(OC)c(OC)c2)cc1 13474193 JIAJCWOTJDKSAM-UHFFFAOYSA-N 420.461 5.810 0 1 HKAF CC(=O)c1cccc(-c2ccc(NCCC3CCN(Cc4ccccc4)CC3)nn2)c1 13863640 XKAQJCZEQXYHNC-UHFFFAOYSA-N 414.553 5.060 0 1 HKAF C[C@H](NC[C@@H](Cc1ccccc1)NCc1ccc(F)cc1)c1cccc2ccccc12 26995558 NROYBARDVSLPQI-HFZDXXHNSA-N 412.552 6.031 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)c(F)cc2O1 27624383 KZRRQQNVZTVAGK-VKVNSWABSA-N 400.578 7.814 0 1 HKAF Clc1ccc(CN2CCCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 28376586 RXYALQHUOOVXGO-UHFFFAOYSA-N 419.012 6.070 0 1 HKAF CCN(c1cccc2ccccc12)[C@H]1CCCc2nc(-c3cccnc3)cc(OC)c21 29053159 HHZIUGCHISUKOA-VWLOTQADSA-N 409.533 6.209 0 1 HKAF Cc1c(-c2ccccc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12 34232642 MUISBZFKLKRXON-UHFFFAOYSA-N 424.588 6.530 0 1 HKAF COc1c(Cl)c(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)c1Cl 43322258 VOKZNMHODFRDQM-UHFFFAOYSA-N 412.742 6.050 0 1 HKAF O=C(Nc1cccc(-c2ccc(CN3CCC(O)CC3)cc2)c1)c1ccc(Cl)cc1 45187382 MRYQIHALEJVVOH-UHFFFAOYSA-N 420.940 5.216 0 1 HKAF CC(C)n1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc21 45349698 PHVKYRWCTDTIMS-UHFFFAOYSA-N 424.533 6.019 0 1 HKAF O=C(O)/C=C/c1ccc(OCc2ccccc2)cc1OCCc1ccc2ccccc2c1 45386903 IXFAJVJBLAGTDS-FYWRMAATSA-N 424.496 6.138 0 1 HKAF O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(C(F)(F)F)ccc12 63298424 XFRYMFRHCLWJQY-UHFFFAOYSA-N 400.282 5.311 0 1 HKAF F[C@@H]1CCCN(Cc2cccc(-c3nc(-c4cccc(C(F)(F)F)c4)c[nH]3)c2)C1 66252668 VURDZIDCCAHGMT-LJQANCHMSA-N 403.423 5.696 0 1 HKAF CCN(CC)CCC[C@H](C)NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 71331519 IMTXCXCVQAKVIK-IBGZPJMESA-N 421.610 5.717 0 1 HKAF COc1ccc(-n2c(-c3ccccc3)c(-c3ccccc3)c3c(Cl)ncnc32)cc1 73139890 JFTXWYIITCMHJC-UHFFFAOYSA-N 411.892 6.417 0 1 HKAF CCN(Cc1ccccc1)C(=O)c1cnc(NC2CCCCC2)nc1-c1ccco1 82142919 IBCKNUSASDYQKT-UHFFFAOYSA-N 404.514 5.144 0 1 HKAF O=C1Nc2ccc(Br)cc2/C1=C(\c1ccccc1)c1nc2ccccc2[nH]1 84739135 WZKZZKWFFLVCIE-VXPUYCOJSA-N 416.278 5.237 0 1 HKAF C/C(=C\Cn1c[n+](C)c2ncnc(N)c21)CC[C@@]1(C)C2=CCCC(C)(C)[C@H]2CC[C@@H]1C 85543604 AGTCBVBMJBPVIF-VSPYMDSUSA-N 422.641 5.363 0 1 HKAF Cc1c(OCCCCCCN2CCCC2)ccc2c(=O)cc(-c3ccccc3)oc12 96271273 CEZZKAHZNNVPOC-UHFFFAOYSA-N 405.538 5.803 0 1 HKAF COc1cccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2C)c1 104698425 MRUXJIVNMAGDGO-HSZRJFAPSA-N 402.494 5.451 0 1 HKAF O[C@H]1CN2CCCCCC/C=C\CCC3=C[C@H]4CN5CCCC/C=C\CC[C@](C2)([C@@H]14)[C@H]35 140615145 GFQQVZDOEWJQSB-UKESSMMZSA-N 424.673 5.327 0 1 HKAF CC[C@H](OC)c1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(Cl)cc1Cl 143650824 JEOAIQOULILFTM-KRWDZBQOSA-N 424.759 6.636 0 1 HKAF Cc1c(OCC(=O)O)ccc(F)c1NCc1cc(-c2cccc(F)c2)ccc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c1ccccc1)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 299811957 HNPFUHUXZIRHMG-SAZKFQKGSA-N 407.642 6.105 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@@H]3[C@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 299873037 CIBAPVLFORANSS-BJIOBPEYSA-N 414.630 6.002 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1/C=C(\C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991136 JNVPPJMQIDZEQM-PVGBUVFQSA-N 409.529 6.938 0 1 HKAF Cc1ccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2c1 587006826 BTWJROILRTXLPA-UHFFFAOYSA-N 410.271 5.070 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2c1 587016850 OPQAVTUYLPQEPN-LLVKDONJSA-N 407.339 5.576 0 1 HKAF Cc1ccc2[nH]c(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCC4)nc2n1 587030332 CWUIVJOFOOFOQC-UHFFFAOYSA-N 408.914 5.389 0 1 HKAF CCS(=O)(=O)c1ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c1 587063665 YLBFZOSQDCPQLR-UHFFFAOYSA-N 410.926 5.268 0 1 HKAF COC(=O)c1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587069144 FMOSKPUNVWBTJK-MNDPQUGUSA-N 416.908 6.176 0 1 HKAF Cc1cc(C)c2[nH]c3c(c2c1)CCc1c-3nc2c(C)ccc3c2c1-c1ccccc1C3=O 587096156 HHUBGWVDWUGXHN-UHFFFAOYSA-N 414.508 6.618 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1cc(C(C)(C)C)ccc1CC4)-c1ccccc1C2=O 587100831 PEVQUIGTXZKBNQ-UHFFFAOYSA-N 403.525 6.818 0 1 HKAF FC(F)(F)Oc1cccc(CSCc2nc3ccc(Br)nc3[nH]2)c1 587125053 PBLKKYOXFRESJZ-UHFFFAOYSA-N 418.238 5.052 0 1 HKAF O=C(O)c1ccc(-c2cc(-c3nc4cccc(C(F)(F)F)c4[nH]3)ccc2F)cc1F 587138944 XADPOGCRNWVPSS-UHFFFAOYSA-N 418.321 5.892 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c(F)c2)c(F)c1 587153336 YQYFNRAPDVNRMF-UHFFFAOYSA-N 405.404 5.068 0 1 HKAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccc(Br)c(F)c2[nH]1 587162049 BLYRRXMOYCSLSS-UHFFFAOYSA-N 413.221 5.502 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(C)(C)C 587207024 ZPGRYKBGHBIMFW-CQSZACIVSA-N 419.875 5.717 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1 587233447 PMDYLZKJKWNULA-NWDGAFQWSA-N 401.454 5.336 0 1 HKAF CC[C@@]1(c2cc(F)c(O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328058 ANAFRFZHJAGWOZ-OFNKIYASSA-N 414.379 5.180 0 1 HKAF COc1cccc(-c2cc(Cn3ccc(C(F)(F)F)n3)nc3c2oc2ccccc23)c1 587358457 BOJIEWNRQRPSIT-UHFFFAOYSA-N 423.394 5.920 0 1 HKAF Cc1ccc([C@]2([C@H](C)Oc3ccc(C=O)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587398908 GKZIXKQOFUFWPE-HFJWLAOPSA-N 415.489 5.026 0 1 HKAF Cc1ccc(C)c(Nc2nc(C)c([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)s2)c1 587413145 MNRYNIVWUPGVNU-QHCPKHFHSA-N 407.539 5.583 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C3CCCCC3)cc1)(C(C)C)CC2=O 587490657 SXTZQHVASVOTNA-HHHXNRCGSA-N 406.566 6.909 0 1 HKAF O=C1C[C@H](c2ccc(OCc3cccc(F)c3)cc2)Oc2c1ccc1c2CCCC1 587505856 QIRASHQZBRPCCU-RUZDIDTESA-N 402.465 5.990 0 1 HKAF O=C1C[C@H](c2cccc(OCc3ccccc3Cl)c2)Oc2c1ccc1c2CCCC1 587506528 NCTMVPLZGOJUTI-RUZDIDTESA-N 418.920 6.504 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2)C1 587519017 SXOKTUFJASSFBC-RPBOFIJWSA-N 411.542 5.081 0 1 HKAF CCOC(=O)C[C@@]1(c2ccc(OCC)c(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587522738 HPMIFWYJPDOCGS-AREMUKBSSA-N 422.521 5.086 0 1 HKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1-c1ccc3ccccc3c12 587529292 MXSDNDBONUKDBD-GDLZYMKVSA-N 402.493 6.608 0 1 HKAF CC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541241 FCLLVNGDWKZGQP-SIKLNZKXSA-N 415.272 5.966 0 1 HKAF COc1ccc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587548560 ODSOIZJCWMMGAH-GHTZIAJQSA-N 416.351 5.123 0 1 HKAF CCCCCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587594397 HGWRKYASPYOLPV-RCZVLFRGSA-N 404.462 5.664 0 1 HKAF C[C@@]1(c2ccc(N3CCCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596526 RQEMNZKVCCUUMR-BVAGGSTKSA-N 415.489 5.260 0 1 HKAF CCCCC[C@@H]1[C@@H](CC(=O)O)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587600453 AQLSVRSYOFLCJN-XXLAOTKRSA-N 424.493 5.174 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccccc2)o1 587618549 UQHJSCNDISNUBA-RDGATRHJSA-N 414.413 5.267 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc3cccnc23)N1 587692209 AWTOXRZVVYNPAJ-OVWNDWIMSA-N 405.698 5.413 0 1 HKAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1C(F)(F)F 587710305 FVJVVMPPPKRESS-BBATYDOGSA-N 416.256 5.713 0 1 HKAF COc1ccc([C@@]2(C(C)(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587724381 HNXRZLBGMVDPKJ-LAJNKCICSA-N 424.329 5.560 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(C3CCC3)c2F)N1 587726263 HRMSXSFTIIWGKQ-QKVFXAPYSA-N 406.314 5.793 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C1CCCCC1 587754479 YYTHRZRUHAHIQQ-MCMMXHMISA-N 419.382 6.135 0 1 HKAF Cc1cc(C)c(-n2cccn2)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587757670 HHYMSVVXTVBMPN-XOBRGWDASA-N 414.322 5.014 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccccn3)cc2)N1 587772960 PUTNRQGBAPZWBI-ASSNKEHSSA-N 413.290 5.399 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCCC3)Oc3ccccc32)N1 587836749 BFJWWVWSXWFLPI-FPTDNZKUSA-N 416.334 5.461 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(Cl)cc1Cl 587869219 CWSZNLXMSSNORB-UHFFFAOYSA-N 409.244 5.114 0 1 HKAF CC(C)Nc1nc2cnccc2nc1N1CCC([C@H](F)c2ccc(F)cc2F)CC1 653679173 IFGWFMXHSOTQFS-FQEVSTJZSA-N 415.463 5.051 0 1 HKAF CCn1ccc(C(=O)Oc2cccc([C@@H]3NCCc4cc(-c5ccccc5)ccc43)c2)n1 962669883 PNLXXOOATOBKDV-SANMLTNESA-N 423.516 5.024 0 1 HKAF Cc1ccc(C)c(-c2n[nH]cc2[C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c1 962697053 HOOSQCWSDYPSCU-BXKMTCNYSA-N 407.558 5.286 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2nn(-c3ccc(OC)cc3)c3ccccc23)N1 962955120 LXEIUIZGZHXUHO-XGCWNURASA-N 422.532 5.529 0 1 HKAF Cc1sc2c(c1C)CCN[C@@]21C[C@]23CC[C@@H]4c5ccoc5C=C[C@@]4(C)[C@@H]2CC[C@H]1C3 963019734 IJWVXRPFGBIHGF-ZAZSFWAPSA-N 419.634 6.716 0 1 HKAF COC(=O)c1ccccc1-c1ccc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963092465 AXUKKIDWNAQUKI-OFVILXPXSA-N 401.481 5.389 0 1 HKAF CN1CCc2c(Br)cccc2[C@]1(Cc1ccccc1)c1ccc(O)cc1 963269055 DVRBNVTXQFYVPD-QHCPKHFHSA-N 408.339 5.129 0 1 HKAF Cc1cc(F)c([C@H]2c3cccc(Br)c3CCN2C)cc1Br 963279704 JBYYNCNIKUHDAC-QGZVFWFLSA-N 413.128 5.236 0 1 HKAF CCc1ccc([C@]2(Cc3ccccc3)c3cccc(Br)c3CCN2C)cc1 963289911 RPORPBDDJNQDFD-RUZDIDTESA-N 420.394 5.986 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)c1c(-c2ccc(Cl)cc2)noc1C 963613650 VHUAWRPMOYNTTK-ZAMGYDSWSA-N 412.917 5.118 0 1 HKAF Cn1c(CSc2ccc(Cl)cc2)c(C(=O)OC(C)(C)C)c2cc(O)ccc21 1772577269 LKNDQJZVHOSULY-UHFFFAOYSA-N 403.931 5.785 0 1 HKAF Nc1ccccc1NC(=O)/C=C/c1ccc(CSc2cccc3ccccc23)cc1 1857571453 SZSOJKBAFYOFKP-WUKNDPDISA-N 410.542 6.366 0 1 HKAF Cc1noc(C)c1-c1cc(Cl)c(Nc2ccccc2-c2nn[nH]n2)c(Cl)c1 1857588056 KTWSLBGNGZIDMS-UHFFFAOYSA-N 401.257 5.189 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@]4(O)OC(=O)C[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 2356721663 LJBNXGCIASRMAO-VYNZQUPSSA-N 416.646 6.499 0 1 HKAF CCCCN(C(=O)CCC(C)C)[C@@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 2356870083 XNDYYTZSGJWAKQ-XMMPIXPASA-N 416.606 5.250 0 1 HKAF CCO[C@H](Cc1ccc(OCC=C2c3ccccc3-c3ccccc32)cc1)C(=O)O 588574 FKYNRYCTBTZMRP-RUZDIDTESA-N 400.474 5.210 0 1 HKAF O=C1NC(=O)[C@@H](Cc2ccc(C(=O)CCc3ccc(-c4ccccc4)cc3)cc2)S1 1492460 IAAGAIJBYXGKDG-HSZRJFAPSA-N 415.514 5.063 0 1 HKAF CC(C)c1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCc2ccccc2)cc1 2480117 UMKPTVALFICJKU-UHFFFAOYSA-N 414.480 6.201 0 1 HKAF C[C@H](CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O 13729773 HWSWZESMKTVEGZ-QGZVFWFLSA-N 419.477 5.414 0 1 HKAF Cc1cc(C)c(NC(=O)N(Cc2cccc(-c3cc[nH]n3)c2)C2CCCCC2)c(C)c1 13779996 YYSCMSAFCLRSCE-UHFFFAOYSA-N 416.569 6.369 0 1 HKAF O=C(O)CCCCCCCCCCCCCCCCCCc1ccc2c(c1)OCO2 14591320 FOKXWQYKVUZPMN-UHFFFAOYSA-N 418.618 7.674 0 1 HKAF biogenic,in-vitro COC(=O)c1c(SC)cc(-c2ccc(Cl)cc2)cc1-c1ccc(Cl)cc1 27524966 HXTFCLKGVUQERS-UHFFFAOYSA-N 403.330 6.836 0 1 HKAF COC(=O)/C=C/n1cc(-c2ccc(Cl)cc2)c([C@@H](c2ccccc2)n2ccnc2)c1 28467001 LDZRGHHQXWOXDD-CYNGKWMKSA-N 417.896 5.286 0 1 HKAF O=C1[C@@H](O)Cc2c(-c3ccccc3Cl)cccc2N1c1c(Cl)cccc1Cl 29125814 UMCJNDGRCSMBAA-IBGZPJMESA-N 418.707 5.896 0 1 HKAF CN(C)Cc1ccc2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)ccc2c1 33969610 OLJNLERVSXRDLG-UHFFFAOYSA-N 414.936 6.474 0 1 HKAF N=C(N)c1ccc2oc(-c3ccc(OCCCCCOc4ccccc4)cc3)cc2c1 43019081 BCPCILZSHCZXQL-UHFFFAOYSA-N 414.505 6.012 0 1 HKAF O=C(Nc1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)c1)c1cccnc1 45229399 VBZBKBNXCXQXBN-UHFFFAOYSA-N 408.436 5.683 0 1 HKAF CC(C)(C)CCN1CC[C@@H](CNC(=O)c2cc(-c3cccc(Cl)c3)cs2)C1 45324211 YYUWQPUJGFRUCK-INIZCTEOSA-N 405.007 5.556 0 1 HKAF COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc(Cl)cc1C 49046025 MVJHCHSVFFDHAX-KBMIEXCESA-N 411.973 6.365 0 1 HKAF C(=C/[C@H]1CCCN1Cc1ccccc1)\CCCN1CCC2(CC1)NCc1ccccc12 71295161 LSDFJSYOCQOIOD-GLTPZSMMSA-N 415.625 5.082 0 1 HKAF CC1=Nc2ccc(Cl)cc2[C@@H](c2ccccc2)N1Cc1ccc(C(F)(F)F)cc1 72123221 LWVKNDINLFIXAJ-JOCHJYFZSA-N 414.858 7.014 0 1 HKAF Nc1nc(Nc2ccc3nc(-c4ccc(F)cc4)cc(N)c3c2)cc(-c2ccccc2)n1 95574204 GETIJMWRUSBILT-UHFFFAOYSA-N 422.467 5.406 0 1 HKAF CCn1c(=O)c(Sc2ccc(C)cc2)c(Sc2ccc(C)cc2)c2ccccc21 95771610 VVTFEEZQNNGRGZ-UHFFFAOYSA-N 417.599 6.941 0 1 HKAF Fc1ccc(Nc2nc(Cl)nc(Nc3ccc(F)c(Cl)c3)n2)cc1Cl 103201711 BBRSABSZWYNVDV-UHFFFAOYSA-N 402.619 5.597 0 1 HKAF Cc1cc(N)c2cc(NC(=O)c3cccc(-c4ccc5ncccc5c4)c3)ccc2n1 103236389 JLKMHPQPJGBCMF-UHFFFAOYSA-N 404.473 5.593 0 1 HKAF COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccc4ccccc4c32)cc1OC 103866346 SOXCQTOJXSHJJF-XMMPIXPASA-N 413.517 6.707 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118937341 ZMYBKDLUDWAJSA-HDMIIMBSSA-N 400.691 8.067 0 1 HKAF endogenous,in-man C/C=C(/C)C(=O)O[C@H]1C[C@@H](C)[C@](C)(CC/C(C)=C/C(=O)OC)[C@H]2CCC=C(C)[C@]12C 238749129 GRAKDQZADDSMPS-UXMVACPLSA-N 416.602 6.173 0 1 HKAF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C=C([P@@H](=O)O)CC[C@]4(C)[C@H]3CC[C@]12C 253645495 KJKOZLCYQNBBEX-XJMWNJKVSA-N 419.546 5.441 0 1 HKAF CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 261499075 XGIZPVUTLMXXTK-XMGGGZAOSA-N 416.690 6.894 0 1 HKAF endogenous,in-man O=c1cc(CO)oc([C@@H](c2ccccc2)c2c(-c3ccccc3)[nH]c3ccccc23)c1O 299834712 VEYOFQVJLVEXJH-QHCPKHFHSA-N 423.468 5.166 0 1 HKAF O=C(Nc1cccc(-c2cccc(N3CCCC3)n2)c1)Nc1cccc2ccccc12 299836521 NHAAXFJNCOPWPB-UHFFFAOYSA-N 408.505 6.146 0 1 HKAF CC(C)CCOc1cc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586883433 JRXJNFFWXZGIIF-DUQZYUJVSA-N 417.391 6.218 0 1 HKAF CC(C)(C)c1cccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586985783 RPJLOKJJSXWRPK-HXUWFJFHSA-N 412.375 5.808 0 1 HKAF O=C(NCc1nc2ccc(Sc3ccccc3)cc2[nH]1)c1cc2c(s1)CCC2 587034212 DHUNIWAHUYSIPJ-UHFFFAOYSA-N 405.548 5.194 0 1 HKAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587068704 BLYJYIYUIRXGFT-SNVBAGLBSA-N 404.219 5.053 0 1 HKAF Cc1ccc(NC(=O)[C@@H](N=O)c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(C)c1 587104902 WSVSLPAOTOOEMR-DEOSSOPVSA-N 421.456 5.509 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C3 587105729 GMSCYSPPJVHZAN-VQTJNVASSA-N 416.524 5.293 0 1 HKAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(C)c(C)c4[nH]3)cc2)cc1F 587147247 IFOWBHBFFXMCIG-UHFFFAOYSA-N 401.485 5.326 0 1 HKAF c1ccc(CNc2ncccc2-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 587230280 RIOUZMQRSFEBRF-UHFFFAOYSA-N 406.489 5.816 0 1 HKAF Nc1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c2ccccc2c1 587251921 OPJCVGGQKBNCOP-UHFFFAOYSA-N 422.204 5.626 0 1 HKAF CCCCCCc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 587275769 FRNHOAUAFLVATO-UHFFFAOYSA-N 416.315 5.436 0 1 HKAF CCC[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350011 WMIPVCSKNWLYPL-AZGAKELHSA-N 415.464 6.067 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CSC)(c1ccc(C(F)(F)F)cc1)CC2=O 587464642 VEMVJMZDFONQIB-FQEVSTJZSA-N 410.457 5.587 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(ccn3C(=O)OC(C)(C)C)c1)CC2=O 587477943 WNXVWUXNUKLKJO-QFIPXVFZSA-N 421.493 5.789 0 1 HKAF O=C1C[C@@H](c2c(F)cc(Cl)cc2Br)Oc2c1ccc1c2CCCC1 587503624 IDJGMUVBEOJRHG-KRWDZBQOSA-N 409.682 5.827 0 1 HKAF COC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587504786 GCTWOHYODWKWCJ-QFIPXVFZSA-N 418.411 5.008 0 1 HKAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)cc1OC(C)C 587504983 KDTJOVYLAOXLEW-FQEVSTJZSA-N 400.902 5.721 0 1 HKAF Cc1ccc(-c2ccc(OC[C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 587520810 GACOGJSAEKGAHW-MUUNZHRXSA-N 412.529 6.344 0 1 HKAF Cn1c2c(c3ccccc31)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580885 ZVKDMPNLZASSMZ-ATIYNZHBSA-N 411.457 5.077 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cc(Cl)ccc3Cl)c2c1 587641137 KMQNPOAQWKBWKO-SNVBAGLBSA-N 414.254 7.238 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2cc(Cl)cc(Cl)c2)N1 587698811 JPOJNWPJXIXDML-YPMLDQLKSA-N 417.149 5.887 0 1 HKAF COc1ccc(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587700556 ZGDODFMVFGBCAY-WLRWDXFRSA-N 412.730 5.242 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C1CCCCC1 587754477 YYTHRZRUHAHIQQ-DMZKTXOQSA-N 419.382 6.135 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2cn(C)c3ccccc23)N1 587754560 DWWLIUPJQQODGY-RZPAJPLTSA-N 413.334 5.543 0 1 HKAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)cc1 587784214 FWCPAHROYBPZCG-PMACEKPBSA-N 400.503 5.658 0 1 HKAF CC[C@H](C)Oc1c(OC)cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587794547 OVQDDLJWGXEYKO-QAJFTPDKSA-N 422.338 5.398 0 1 HKAF COc1cccc([C@@H]2CCCC[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)c1 587812230 YRSGECMNWQZYCA-SDYXESRWSA-N 418.350 5.684 0 1 HKAF CC[C@H](C)c1ccc([C@]2(CC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587814226 SEINDEGLXSIIRS-KIMHZCHSSA-N 404.367 6.290 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](c3ccccc3)c3ccccc32)N1 587817832 NKIVFXNCVPBEDC-ZCLJVBCSSA-N 422.341 5.902 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2cccs2)N1 587849882 WUWOPPKQUSIZRL-SZNDQCEHSA-N 416.359 5.670 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccnc(Br)c1 587863564 BSPJCKFPQJNSMA-UHFFFAOYSA-N 412.209 5.114 0 1 HKAF COc1ccc(CCCc2nc3cccc(OCc4ccccc4)c3[nH]2)cc1OC 587926364 XVQISJACVKPESW-UHFFFAOYSA-N 402.494 5.334 0 1 HKAF COc1ccc(/C=C\Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)c(OC)c1 587930833 WDIHUIGFGUNYSY-SREVYHEPSA-N 402.519 5.987 0 1 HKAF Cc1c(F)ccc2c1[C@@H](c1cn(-c3ccccc3)nc1-c1cccc(Cl)c1)NCC2 962090214 HRPXXYXRYVHTCZ-RUZDIDTESA-N 417.915 5.875 0 1 HKAF Cc1cc2c(cc1F)[C@@](c1ccc(Br)cc1)(C1CCCCC1)NCC2 962380597 WZMBIUDZVLUVLV-QFIPXVFZSA-N 402.351 5.866 0 1 HKAF CCOC(=O)[C@H](CC)[C@]1(c2cccc(C)c2)NCCc2cccc(-c3ccccc3)c21 962664775 KLVSVBHKHUNRJG-LSYYVWMOSA-N 413.561 5.641 0 1 HKAF CCC[C@@]1(c2ccc(Cl)c(O)c2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962698928 DCNOCDODUKYKKJ-OPAMFIHVSA-N 405.966 5.592 0 1 HKAF Cc1ccc(C)c([C@]2(C[C@@H](C)CC(=O)O)c3ccsc3CCN2Cc2ccco2)c1 962709076 QWWYUZAQVDACJP-BVZFJXPGSA-N 423.578 5.761 0 1 HKAF C[C@@]1(c2cnc3ccsc3c2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962955964 MODGUVPMCCTJRY-FQEVSTJZSA-N 418.484 5.230 0 1 HKAF COc1ccc(Cl)cc1-c1cc(Cl)cc([C@@H](CC(=O)O)c2ncc(C)s2)c1 1772607132 OPIIWWNXKUMBPY-QGZVFWFLSA-N 422.333 6.041 0 1 HKAF Cc1cccc(C)c1-c1cccc(COC2=C[C@H]3SC(CCC(=O)O)=C[C@@H]3S2)c1 1772636813 CNLZRXZDFVSSKZ-LEWJYISDSA-N 424.587 6.308 0 1 HKAF CC1(C)C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C(F)(F)F)cc1 1857615742 NKWSFVOTVFOHDU-UHFFFAOYSA-N 416.321 5.476 0 1 HKAF Cc1ccnc(NC(=O)[C@@H](C)c2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)c1 1857636196 LHSSURSAQNZWRD-AWEZNQCLSA-N 400.404 5.290 0 1 HKAF Cc1cc(C)c2cc(C(=O)NC3CC4(CCCCC4)NC4(CCCCC4)C3)n(C)c2c1 1857773384 IEKGWNOUPQOPOY-UHFFFAOYSA-N 421.629 5.683 0 1 HKAF CC[C@H](C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356596530 KBCUEZZDVQYXRC-HBJJXLPESA-N 414.718 8.025 0 1 HKAF CCCCN(C(=O)CCC(C)C)[C@@H](C(=O)NCc1ccccc1)c1ccc(OC)cc1 2356810785 BBKUENJTSKWUAI-RUZDIDTESA-N 424.585 5.118 0 1 HKAF COc1ccc(-c2ccoc2)cc1[C@H]1[C@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 13661984 WYRUCDCEDBQBNX-XQHQYKGYSA-N 413.517 5.867 0 3 HKAF CCCn1c(C)c(CC(=O)Nc2ccc(N(C)c3ccccn3)cc2)c2ccccc21 199264169 ALQGLUJVFRHTRG-UHFFFAOYSA-N 412.537 5.704 0 3 HKAF Cc1ccc(NC(=O)O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2[C@H]3Cc2ccccc2)cc1 263590742 MRZDBOCCOAGDRV-WRUQEBNYSA-N 404.554 5.418 0 3 HKAF COC(=O)c1c(-c2ccccc2)sc(-c2cccc3ccccc23)c1C(=O)OC 1619597 QFBXMAQYDZFYCR-UHFFFAOYSA-N 402.471 5.809 0 1 HKAF COc1ccc(OCc2ccc(COc3ccc(OC)cc3Cl)cc2)c(Cl)c1 1893211 SLFZXMGBSNPIQC-UHFFFAOYSA-N 419.304 6.169 0 1 HKAF CC[C@@](OC)(c1cc(F)cc(OCc2ccc3ccccc3c2)c1)c1nccs1 13733382 XVKSBHTYCOTLRR-XMMPIXPASA-N 407.510 6.314 0 1 HKAF CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccccc2)oc2ccccc12 26186892 IJHQUGJEAYELMO-UHFFFAOYSA-N 419.609 7.632 0 1 HKAF Fc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3cccs3)C2)cc1 28061401 JLRMAEDIMRDUAS-FQEVSTJZSA-N 405.523 6.366 0 1 HKAF Cc1cc([C@@H](c2ccc(C(C)C)cc2)N2CCN(C(=O)c3ccccc3)CC2)sn1 28249693 RKMBQXRFMVALHB-XMMPIXPASA-N 419.594 5.122 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H]1C(=O)CCC[C@H]1O 28952483 PUKOUYGWBQZNRB-GDMPRFEUSA-N 416.602 6.158 0 1 HKAF CCCC/C=C\CCCCCCCCCCCCCCCCCCCCCC(=O)O 33822169 DRGWDEZYUAKKRZ-WAYWQWQTSA-N 422.738 10.010 0 1 HKAF Cc1cccc(C)c1NC(=O)[C@@H](C)c1ccccc1Nc1c(Cl)cccc1Cl 43120093 BHTKZBRKFXIRTQ-INIZCTEOSA-N 413.348 7.096 0 1 HKAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4N(C=O)C4CCCCC4)[C@H]3CC[C@@H]12 58529339 GWOHHTZQGRQPDS-IESAMAKHSA-N 414.634 5.010 0 1 HKAF Oc1ccc2ccccc2c1-c1sc(Nc2ccccc2)n[n+]1-c1ccc(F)cc1 61969802 HOMQWIPQMBHPQO-UHFFFAOYSA-O 414.485 5.828 0 1 HKAF Cc1ccccc1-c1nc(N[C@H]2CCCC[C@@H]2C)ncc1-c1nc2ccccc2s1 82177223 PVJOAPJMMFHZGQ-PXNSSMCTSA-N 414.578 6.719 0 1 HKAF COc1cc(Cn2c(-c3cccc(C)c3)nc3cc(C)ccc32)cc(OC)c1OC 95557140 OAGIORMWSLAGIO-UHFFFAOYSA-N 402.494 5.394 0 1 HKAF CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 95913997 RKXWJPSYFPRIGF-UAOKIVRESA-N 410.730 9.198 0 1 HKAF biogenic,in-vitro O=C(NC12CC3CC(CC(C3)C1)C2)N[C@H]1CC[C@H](OCc2ccccc2Cl)CC1 101109375 CCVTVCRJSWYIRR-AOZBFSTRSA-N 416.993 5.436 0 1 HKAF Cc1ccc2cccc(OCc3cccc(COc4cccc5ccc(C)nc45)c3)c2n1 103190489 JLLOOXADZOEYRV-UHFFFAOYSA-N 420.512 6.558 0 1 HKAF Clc1cccc(Cl)c1-c1csc(Nc2ccc(Br)cc2)n1 103275024 NDSDHTBENVQUHP-UHFFFAOYSA-N 400.128 6.623 0 1 HKAF FC(F)(F)Oc1ccc(CNc2nc(N3CCCCC3)nc3ccccc23)cc1 141267301 GNKQTRDYESQPCB-UHFFFAOYSA-N 402.420 5.131 0 1 HKAF COC(=O)c1ccc(O)c(C/C=C(/C)CC/C=C(\C)CC/C=C(/C)CCC=C(C)C)c1 206722151 UEDRNSGNDIOZJT-OZBZSNJGSA-N 424.625 7.867 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N1CCN(C)CC1 208228209 DSEVKWGWIFILPO-JDPCYWKWSA-N 410.646 6.238 0 1 HKAF CC1(C)C=C[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 238762358 DAYKSLOBCZJGHS-QHPUVITPSA-N 424.713 7.945 0 1 HKAF c1ccc(CN2[C@H]3CCCC[C@@H]3C3=C([C@@H](c4ccccn4)ON3)[C@H]2c2ccccc2)cc1 254132106 JJQHRZMERXCEHL-YRLQWRJRSA-N 423.560 5.728 0 1 HKAF CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](CO)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 255205770 DIHBDVABCMVSNH-FYNFBBBRSA-N 414.718 7.738 0 1 HKAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cccc(Br)c3[nH]2)c1 586915376 KWRBGZRCIGQVPT-UHFFFAOYSA-N 409.239 5.094 0 1 HKAF Clc1cnc(Br)c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)n1 587005750 QKQNDPGEWPPXMN-UHFFFAOYSA-N 401.651 5.228 0 1 HKAF Cc1c(Br)cnc2[nH]c(COc3ccccc3C3SCCS3)nc12 587041208 LOAWYFJBEGMGIE-UHFFFAOYSA-N 422.373 5.086 0 1 HKAF Clc1ccc(-n2cccc2)cc1-c1nc2cc(Br)cc(Cl)c2[nH]1 587050849 RITICJROXWHPJG-UHFFFAOYSA-N 407.098 6.090 0 1 HKAF Cc1cc(-c2nc3c(Cl)cncc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587059619 UMAJLMXVYQKQSH-UHFFFAOYSA-N 423.307 5.342 0 1 HKAF Cc1cc(Cl)ccc1OCCCc1nc2ccc(OCc3ccccc3)cc2[nH]1 587067159 WDRNQXJHHSQFPC-UHFFFAOYSA-N 406.913 6.115 0 1 HKAF Fc1cc(Br)c2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc2c1 587135133 TVESGNZMELVTIK-UPHRSURJSA-N 407.111 5.330 0 1 HKAF Cc1cc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2cc1F 587161298 OUHFEADPGLZNBK-UHFFFAOYSA-N 416.225 5.766 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](c2ccc(C)cc2)CC3)c1 587366395 LWTLQCNJJDQKAK-NRFANRHFSA-N 405.497 7.043 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccccc4)c(Cl)c1)[C@@H](C2)C3=O 587422769 ZRXJFTYQOUKOCO-MHECFPHRSA-N 406.865 5.416 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1cccc(F)c1)(c1ccc(F)cc1)CC2=O 587465542 FNSRMOIKDNDOHX-RUZDIDTESA-N 408.444 5.726 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(F)cc(OCc3ccccc3)cc1F)CC2=O 587467223 ROLSYJVIOXEZNU-QHCPKHFHSA-N 424.443 5.908 0 1 HKAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccc3ccccc3c1)CC2=O 587470319 SAMKGDLGYXPOEU-BOMYWPOKSA-N 401.506 5.434 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(C=C(c3ccccc3)Oc3ccc(N)cc31)CC2=O 587473339 SEYMURQUAHABAO-AREMUKBSSA-N 413.473 5.221 0 1 HKAF C[C@]1(c2ccc(-c3ccccc3Cl)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587531447 KHGNXJUJZHMGSV-XMMPIXPASA-N 408.950 6.828 0 1 HKAF O=C1C[C@@]2(CC3(CCCCC3)Oc3cc(O)ccc32)Oc2c1ccc1c2CCCC1 587535852 ORYIFQXBTBEMTH-SANMLTNESA-N 404.506 5.617 0 1 HKAF CC(C)C[C@@]1(Cc2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546071 HYHGYWGNGTTXEH-RDGATRHJSA-N 422.908 6.035 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1nccs1 587616754 GOEGYMXPXCYSOS-KNQAVFIVSA-N 401.443 5.219 0 1 HKAF CCOc1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)ccc1C 587778048 IERTZWGJTXDSCI-UHFFFAOYSA-N 415.209 5.598 0 1 HKAF CCOc1cc(-c2nc3cc(Br)c(Br)cc3[nH]2)ccc1C 587778080 IRNVFIMSXRPQGP-UHFFFAOYSA-N 410.109 5.462 0 1 HKAF Clc1cccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 587783190 ZEPGBHRBRWRTNS-UHFFFAOYSA-N 424.931 7.053 0 1 HKAF CC(C)c1ccc2c(c1)[C@@]1(CCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587836140 RTFOGEZHXGYQLZ-LRTDBIEQSA-N 404.323 5.272 0 1 HKAF Cc1cccc(-c2csc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)c1 587856293 XKOOJSGOZJWBMW-HXPMCKFVSA-N 417.347 5.644 0 1 HKAF Cc1ccccc1C(C)(C)c1nc2cc(Br)c(Br)cc2[nH]1 587955273 MJWISGUYJILZMA-UHFFFAOYSA-N 408.137 5.722 0 1 HKAF COc1ccc2c(c1OC)[C@@](c1cccc(C(F)(F)F)c1)(C(C)C)N(C)[C@@H](C)C2 962640554 WVUPHVCPFPEKMG-NYHFZMIOSA-N 407.476 5.499 0 1 HKAF CCOC(=O)CC[C@H](C(=O)CC)[C@]1(CC)NCCc2cccc(-c3ccccc3)c21 962674301 WEJQSGXSSUXSBE-GJZUVCINSA-N 407.554 5.043 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(C[C@](N)(c2ccc(F)cc2)C(F)(F)F)N1 962949677 QHUFXWBCMOSLAD-SSKFGXFMSA-N 419.466 5.253 0 1 HKAF CSc1ccccc1[C@@]1(c2cccc(Cl)c2)NCCc2c(C(=O)O)cccc21 963122426 NBZLCEWIPXDKDE-QHCPKHFHSA-N 409.938 5.198 0 1 HKAF CCC[C@@]1(CCCCCC(=O)OCC)c2cccc(Br)c2CCN1C 963280734 OQOVXDVTHGJCBF-OAQYLSRUSA-N 410.396 5.446 0 1 HKAF COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3c4ccc(OC)cc4CCN23)cc1 1772611233 KMEGVCFAXDEADV-VPUSJEBWSA-N 410.517 5.430 0 1 HKAF Cn1cncc1[C@@](O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)C1CC1 1772611283 PEXKKGMYAIJRBR-QHCPKHFHSA-N 424.331 5.588 0 1 HKAF C[C@@H]1C[C@@H]1C(=O)Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)[nH]nc3c2)c1 1772653284 RCMDUVONVDJPAY-QYDSKGFYSA-N 409.489 6.120 0 1 HKAF CC[C@H](C)C=CC=CCc1ccc(C(C)(C)c2ccc(CC=CC=C[C@@H](C)CC)[nH]2)[nH]1 2356464172 AFEISJXZWHBJNX-ZEQRLZLVSA-N 418.669 8.071 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(C=Cc4ccccc4)=CC[C@H]32)C1 2356471920 FLDVEKQSXXBPDV-SCFPKKRUSA-N 418.621 7.211 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C 2356501218 QTLHKKVOGSJGHS-SFJRNPOASA-N 416.690 6.606 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356514988 UYJOTTBIRXBXME-UGAHOBSISA-N 412.658 7.345 0 1 HKAF CCCCCC=CCC=CCCCCCCCC(=O)OCCc1c[nH]c2ccccc12 2356517383 IFIHQODEQMQNRX-UHFFFAOYSA-N 423.641 8.067 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCCC1=C(C)CC[C@@]2(C)CCC(C)(C)C[C@H]12 2356555237 NHVDFWJNPPZOPG-DGPALRBDSA-N 410.730 10.129 0 1 HKAF CC(C)=CCCC(C)=CCC[C@@](C)(O)[C@H]1Cc2c(O)c(C(=O)O)c(C)c(Cl)c2O1 2356719916 LGWHIUKSRDCMLJ-UZUQRXQVSA-N 422.949 5.580 0 1 HKAF COc1cc2c(cc1C=C(C)C)[C@@H]1COc3c(ccc(OC)c3CC=C(C)C)[C@H]1O2 2356720051 OWVQBBXRFSSWLP-HFZDXXHNSA-N 406.522 6.245 0 1 HKAF C[C@@H]1CC[C@]2(C)CC[C@]3(C)C4=CC[C@@H]5C(C)(C)CCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2[C@@H]1C 2356872303 YRHDJXSJOFXQTP-VJNABNDNSA-N 410.730 9.054 0 1 HKAF C=CC(=O)Nc1cccc(Oc2ncnc3[nH]cc(-c4cnc5ccccc5c4)c23)c1 61959255 DUIUREGYTDJMJK-UHFFFAOYSA-N 407.433 5.090 0 3 HKAF CCn1c(SCCNC(=O)CC(C)C)nc(-c2ccccc2)c1-c1ccccc1 4720599 ZGWGNXIUJBSXNW-UHFFFAOYSA-N 407.583 5.491 0 1 HKAF C=Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 13472267 HWRVHTODBCXJNV-UHFFFAOYSA-N 411.589 6.738 0 1 HKAF CS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2ccc(Cl)cc2)cc1 13487276 FFISDZWEXIJOMR-UHFFFAOYSA-N 410.878 5.184 0 1 HKAF O=C1c2cccc3cccc(c23)N1CCCCCCN1CCN(c2ccccc2)CC1 13531185 SIIBKYDOXOJKRD-UHFFFAOYSA-N 413.565 5.183 0 1 HKAF Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12 14957331 LSVIBAPJYUUVJJ-UHFFFAOYSA-N 413.359 5.135 0 1 HKAF CCOc1ccccc1CN1CCC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1 20997612 YYVBPIGLQNVHLV-OAQYLSRUSA-N 405.517 5.369 0 1 HKAF C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(C(F)(F)F)cc3)CO[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23O4 27418856 KBTBOXHZCGGQLT-YEMUDNHFSA-N 424.503 5.959 0 1 HKAF CCc1ccc(OC)c2cc(-c3ccc(-c4ccc(C(=O)O)c5ccccc45)[nH]3)oc12 29465901 SCNJILJYLFUEPC-UHFFFAOYSA-N 411.457 6.517 0 1 HKAF CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1c2ccccc2CC[C@H]1N1CCCC1 29548271 DSSWVGRPTVOTMX-NHCUHLMSSA-N 403.353 5.217 0 1 HKAF CN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccc(Cl)cc1 40950355 HPAUQLSTYWJWSS-UHFFFAOYSA-N 420.959 6.878 0 1 HKAF Cc1c(C)c2c(c(C)c1OCC(=O)O)CC[C@](C)(CCC[C@H](C)CCCC(C)C)O2 45256814 BLQQGBFYXXLNBL-DWXRJYCRSA-N 418.618 6.792 0 1 HKAF Cc1cccc2nc(-c3ccc(-c4cccc(CNCCc5ccncc5)c4)s3)[nH]c12 45335053 BBWBKOXMZGJNOF-UHFFFAOYSA-N 424.573 5.994 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3/C[C@@H](O)[C@@H]4O[C@@H]4C3)CCC[C@@]21C 49112840 RGZNSLRVRXXNJK-YUAOTPKASA-N 402.619 5.555 0 1 HKAF O=c1c(O)c(-c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)oc2ccccc12 53281543 JLJDFCBDCGRLFI-UHFFFAOYSA-N 414.848 5.672 0 1 HKAF CCNCc1cncc(-c2ccc3[nH]nc(-c4nc(-c5ccccc5)c(C)[nH]4)c3c2)c1C 72176289 WJTKTXSOYVLLTQ-UHFFFAOYSA-N 422.536 5.408 0 1 HKAF CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2ccc3ccccc3c2)c1 72181638 WJKCRVLGAXSVCA-UHFFFAOYSA-N 412.942 5.623 0 1 HKAF CCCCCc1nc(-c2cnc(NCc3ccc(C)o3)nc2-c2ccccc2)oc1C 82162498 DODKZIWHJQGCSL-UHFFFAOYSA-N 416.525 6.353 0 1 HKAF CC1CCC(NCc2ccc3c(c2)CC2=C(c4ccc5c(c4)OCO5)N=N[C@H]23)CC1 87612887 SGJMWENNIXDLHU-QJZASHRNSA-N 401.510 5.558 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H]1SCC(=O)N1c1ccc(F)cc1 95560476 FFSKXFLVUICSHT-IBGZPJMESA-N 404.919 5.690 0 1 HKAF C[C@@H](Cc1ccc2oc3ccccc3c2c1)SC(=O)[C@@H](C)NC(=O)c1ccccc1 103190656 PKMJZKFQLQMKMU-DLBZAZTESA-N 417.530 5.595 0 1 HKAF CC(C)=CCc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(CC=C(C)C)c1O 140318295 PRFPLSQHWPLHRO-UHFFFAOYSA-N 422.477 5.300 0 1 HKAF Cc1ccc(S(=O)(=O)Nc2ccccc2Nc2nc(-c3ccccc3)cs2)cc1 169305085 KTXJOYJUQJHWDU-UHFFFAOYSA-N 421.547 5.663 0 1 HKAF Nc1cnc(-c2ccc(C3CCC3)c(OCc3cccc(C(F)(F)F)c3)c2F)cn1 224566691 JUSBBCOHKYSQQX-UHFFFAOYSA-N 417.406 5.730 0 1 HKAF CC[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(-c2ccsc2)nc2ccc(OC)cc12 253635755 CCUUAAWNWMSJJT-HLIDXEPVSA-N 408.567 5.126 0 1 HKAF CC[C@H](/C=C\[C@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 255222158 JZVFJDZBLUFKCA-XCOKPZMASA-N 412.702 7.801 0 1 HKAF Cc1ccc(S(=O)(=O)N2N=C(C(F)(F)F)C[C@@H]2c2ccc3ccccc3c2)cc1 299839163 QKVOXRREWKCNEH-LJQANCHMSA-N 418.440 5.202 0 1 HKAF COc1ccc(Cl)cc1[S@@](=O)c1c[nH]c2ccc(C(=O)Nc3ccccc3)cc12 299855723 FWCZTAVRUUWLBW-GDLZYMKVSA-N 424.909 5.249 0 1 HKAF Cc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)ccc1NC(=O)c1cnoc1C 473248641 PHCZXQGTJLPZTH-UHFFFAOYSA-N 418.375 5.207 0 1 HKAF CC(C)=C1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)C[C@H](C)CC(C)(C)[C@@H]3CC[C@]21C 535386010 DCWVPPVTQYJCHM-JUXJBJCDSA-N 424.757 9.444 0 1 HKAF in-vitro OCc1ccccc1-c1cccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 586894660 AKGOGCBKWFSIQX-UHFFFAOYSA-N 413.702 5.805 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(F)c(C(F)(F)F)c3)nc3ccc(O)c1c23 586985139 AXOGXJYCCYFBMX-UHFFFAOYSA-N 409.338 5.977 0 1 HKAF COc1ccc(-c2nc3ccc(O)c4c3c(c2CC(C)C)-c2ccccc2C4=O)cc1 586990195 AYAZPXROZBIBSZ-UHFFFAOYSA-N 409.485 6.026 0 1 HKAF FC(F)(F)c1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1Cl 587005387 GRQONYUVJMBNGE-UHFFFAOYSA-N 411.996 5.108 0 1 HKAF FC(F)(F)c1cccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 587041485 VZPOLXNRIBLRCV-UHFFFAOYSA-N 411.452 6.427 0 1 HKAF COc1cc(/C=C\c2nc3cc(F)c(F)c(F)c3[nH]2)cc(Cl)c1OCC(C)C 587046902 OYYXTUUIZNVCQU-PLNGDYQASA-N 410.823 5.847 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(CCO)cc2[nH]1 587069253 DLIBHGSHELAJEP-XGCBERSASA-N 401.337 5.771 0 1 HKAF Cc1cc(Br)c2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc2c1 587124744 LTACFJASIWZABA-DAXSKMNVSA-N 413.262 6.416 0 1 HKAF COc1cc(OC)c2nc(-c3ccc(-c4ccc(C(=O)O)c(F)c4)c(C)c3)[nH]c2c1 587143906 CHCBBPDONNRHRZ-UHFFFAOYSA-N 406.413 5.060 0 1 HKAF Nc1ccc(-c2ccc3nc([C@H](Nc4ccccc4)c4ccccc4F)[nH]c3c2)cc1N 587150803 SSINHGIREIUHQO-RUZDIDTESA-N 423.495 5.735 0 1 HKAF COc1cccc(-c2cc(F)cc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c2)c1 587160364 PVUKNRMAQWILPC-UHFFFAOYSA-N 420.793 6.717 0 1 HKAF Cc1c(Br)cc2nc(-c3cccc(NC(=O)C(C)(C)C)c3)[nH]c2c1C 587242659 YNWOOKVHBFAGNW-UHFFFAOYSA-N 400.320 5.594 0 1 HKAF CCCCCOc1cc2[nH]c(-c3ccc(NC(N)=O)cc3)nc2cc1Br 587243558 ODUYMXLPVMTRAH-UHFFFAOYSA-N 417.307 5.052 0 1 HKAF CC[C@]1(c2ccc(OC(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344045 BMVIGOITTRPTGX-AZGAKELHSA-N 420.480 5.983 0 1 HKAF CC(C)Oc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587345408 FHZUNYVWURKWPJ-NOZRDPDXSA-N 406.453 5.593 0 1 HKAF CCC[C@]1([C@@H]2CCOC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350757 GZWAHAWGXYICQN-VEDVITAVSA-N 412.501 5.634 0 1 HKAF COc1ccc2c(c1)[C@H](C)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354770 VRUUMJSNIPXYPK-CDAVKZRYSA-N 418.464 5.388 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccc(Cl)cc1)(c1ccccc1C(=O)O)O2 587375892 AMWSVLYMYQKDIM-XMMPIXPASA-N 421.880 5.032 0 1 HKAF CCCCC[C@H]1CC[C@H](C2CCC3(CC2)Oc2cc(OC)cc4c2C(=O)[C@H]3C4)CC1 587447628 UJDNLJFGDIMAPH-HLOBCVHMSA-N 410.598 6.758 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)c3cccnc13)CC2=O 587458082 FZSQVYWTLDZTSR-IBGZPJMESA-N 412.283 5.362 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc(C(F)(F)F)cc1)CC2=O 587464708 WJTXLVMDTPFOCU-OAQYLSRUSA-N 415.411 5.861 0 1 HKAF O=C1C[C@H](c2ccc(-c3cccc(Cl)c3Cl)o2)Oc2c1ccc1c2CCCC1 587506604 NLCODPQGZUIPFJ-OAQYLSRUSA-N 413.300 6.839 0 1 HKAF CC[C@@]1([C@@H]2CCCCN2C(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587517227 JMAJSVYYXPVPCX-OFVILXPXSA-N 413.558 5.469 0 1 HKAF CCCCCCC(=O)Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587523904 MCJXHXIACKKMIQ-DEOSSOPVSA-N 406.522 6.148 0 1 HKAF CC[C@@]1(c2c(F)cc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555981 IHDOONBGKMMCFO-UGKGYDQZSA-N 400.352 5.077 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2)cc1F 587556018 UICQMMKKPJQXRD-BVAGGSTKSA-N 412.416 5.901 0 1 HKAF COc1c(C)cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587692524 LAPMVMXXTHXYPA-NSPYISDASA-N 412.730 5.356 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C)c2ccc(C(F)(F)F)cc2)N1 587717304 WUWWVSTZUNQGSI-YRUZYCQGSA-N 416.256 5.986 0 1 HKAF CCc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587757333 UVJOQWRLSICKMD-FPTDNZKUSA-N 413.334 5.565 0 1 HKAF Cc1c(Br)cc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c1C 587782144 GUSRFOMYFWQLBL-UHFFFAOYSA-N 423.310 5.894 0 1 HKAF CCC[C@@H](CC1(c2nc3ccc(OC)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782746 XLELWZHBYORHAX-FQEVSTJZSA-N 420.553 5.933 0 1 HKAF CCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CC 587791848 ISDXUFAVBQGMFD-LRTDBIEQSA-N 406.339 5.563 0 1 HKAF CC[C@H](C)Oc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587798284 ZQAGFLBJKZJTTD-BHVCSQLQSA-N 422.338 5.398 0 1 HKAF Cc1ccccc1-c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587817143 AHVBVCGIXFGZEH-IQMFZBJNSA-N 410.330 6.187 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(=O)C3CCCC3)c2)N1 587822083 ZPENPVFROGACFY-ZSEKCTLFSA-N 416.334 5.585 0 1 HKAF Cc1cc(C)c2c(c1)CC(C)(C)C[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587823978 SSICHMYHNZYPEO-IQMFZBJNSA-N 416.378 5.955 0 1 HKAF Cc1ccccc1[C@]1(c2cccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587847588 LPNPXBOBZWOQIM-LHSJRXKWSA-N 416.359 5.784 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC/C2=C/c2cccs2)N1 587852623 MDRFEAVLCFUOQD-ZBBHCTLUSA-N 406.364 6.037 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1ccc(Cl)cc1 587863719 GHLGQYDFYJMBEH-UHFFFAOYSA-N 411.836 5.476 0 1 HKAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(Cl)cc(Br)c2[nH]1 587926682 KVIGBWUNNBDDNZ-LBPRGKRZSA-N 409.711 5.538 0 1 HKAF COc1ccc(OC(C)(C)C)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F 587943975 UIQWSBWXWBILDK-UHFFFAOYSA-N 415.436 5.298 0 1 HKAF CCOc1cc(CC(C)=O)c(OCC)n1CC[C@H](c1ccc(F)cc1)c1ccco1 587944362 ASQMTVIMZFOFFB-OAQYLSRUSA-N 413.489 5.371 0 1 HKAF COc1cccc2cc([C@@H]3c4ccccc4C[C@@H]4CN(c5ccccc5)CCN34)oc12 962641059 NBJPVEYDUSJVCQ-GJZUVCINSA-N 410.517 5.278 0 1 HKAF O=C(O)CCCC[C@@]1(c2cccc(Cl)c2)NCCc2cccc(-c3ccccc3)c21 962668779 XYDZFFGWCBHCDO-SANMLTNESA-N 419.952 6.041 0 1 HKAF CC(C)C[C@@]1(c2cccc(C(F)(F)F)c2)c2ccsc2CCN1Cc1ccco1 962699921 BFNKJTQJLIRQRI-JOCHJYFZSA-N 419.512 6.708 0 1 HKAF Cc1ccc([C@@]2(C3CCCC3)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1C 962715901 PRLJNTIEVDYTAC-NVQXNPDNSA-N 409.614 6.240 0 1 HKAF CCOC(=O)CCC[C@@]1(c2cccc(OC)c2)N[C@H](CC)Cc2c1[nH]c1ccccc21 962961347 UNJCPWQEMWEHKY-BCHFMIIMSA-N 420.553 5.078 0 1 HKAF Cc1ccc([C@@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)c(OCc2ccccc2)c1 963110142 MQXDGRYTTIQRFP-WNCULLNHSA-N 401.525 5.997 0 1 HKAF C[C@H]1c2ccc(F)cc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)Nc1cccnc1 1772616221 DKIVTKARIWZZCD-MSOLQXFVSA-N 404.489 5.225 0 1 HKAF CN=c1[nH]c2cnc(Nc3cccc(Oc4ccccc4)c3)cc2n1-c1ccccc1 1857593102 SKVWEHLSYRQYMQ-UHFFFAOYSA-N 407.477 5.420 0 1 HKAF CCCCCc1cc(OC)cc(OCCCCCCCCCCC(=O)NC2CC2)c1 1911582569 IGGCLPHXCBCRCJ-UHFFFAOYSA-N 417.634 6.596 0 1 HKAF C[C@@H](CCC[C@@H](C)CO)[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356343098 IDLRVFXWSUWMHI-GWSAHVOQSA-N 418.662 5.332 0 1 HKAF COC1=C(C)C(=O)OC1=C[C@H](C)CCC=C(C)CCC=C(C)CCCc1ccoc1 2356461176 XISQJZUEXCAZSO-OAQYLSRUSA-N 412.570 7.053 0 1 HKAF C[C@H](CO)CCC(=O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356469773 ANPHLQXCHVRCDX-VDYPWYRJSA-N 416.646 5.540 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@@]21C 2356614764 HFNOEDZKKALPKD-JOXSRYROSA-N 418.662 5.332 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)C[C@H](C)[C@@H]4[C@H]3CC[C@@]12C)C(C)C 2356681976 LAGFCVRVICMFFF-HOELONILSA-N 414.718 8.169 0 1 HKAF C[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)(C)O 2356738576 VTJZYXUUWSKREG-SNKZPIBSSA-N 416.690 6.750 0 1 HKAF CCC(=CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 2356762481 ZTQJBFUXLOAEBX-LRZQQTFDSA-N 410.686 7.865 0 1 HKAF O=C(CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc2cc(Cl)ccc2o1 3137874 OFXRBXCICYWOII-UHFFFAOYSA-N 421.724 6.419 0 1 HKAF CC(C)c1cc2c(cc1O)[C@]1(C)CC[C@H](OC(=O)c3ccccc3)C(C)(C)[C@@H]1CC2 13302164 HFAMSEZTLMXOQW-DPZBCOQUSA-N 406.566 6.381 0 1 HKAF biogenic Cc1ccc(NC(=O)c2cc3ccccc3s2)c(C(=O)Nc2ccc(F)cc2)c1 13487504 ZHLDDMAQXYATAS-UHFFFAOYSA-N 404.466 5.853 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C)C(C)C 26385877 DXSCVNXGNJVZAB-FBDRIWDMSA-N 412.618 5.013 0 1 HKAF CC(C)(C)Cn1ccc2cc(OCCCCOc3ccc(-c4nnn[nH]4)cc3)ccc21 28462057 WKGQYKYGORJILM-UHFFFAOYSA-N 419.529 5.106 0 1 HKAF O=S(=O)(c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1)C(F)F 40631975 SQNPDQKOPWLNDJ-UHFFFAOYSA-N 403.237 5.047 0 1 HKAF CCc1ccc(C(=O)N2CCCn3cccc3[C@H]2c2ccc(C(C)(C)C)cc2)cc1 45386306 CHKAJSQJMHQGBK-RUZDIDTESA-N 400.566 5.984 0 1 HKAF Fc1cccc(F)c1Cc1cnc(Nc2ccc(Oc3cccnc3)c(Cl)c2)o1 49112870 STFRTLQSMMACIL-UHFFFAOYSA-N 413.811 6.128 0 1 HKAF CCCC[C@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1 49792813 NLMPOLGGLBGXKT-SXOMAYOGSA-N 419.609 6.060 0 1 HKAF CC(C)=CC[C@]1(C)C(=O)C(C)(C)Nc2c(C)cc(-c3cccc4cc[nH]c34)c(Cl)c21 66251514 VPGLREFJYMSJHR-SANMLTNESA-N 420.984 7.184 0 1 HKAF Cc1ccccc1-c1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1ccccc1)CC2 71340466 GIODXTFZELVTOA-UHFFFAOYSA-N 421.504 5.104 0 1 HKAF O=C(c1ccccc1F)N1CC[C@H]2C[C@@H]1c1cc(-c3ccc4c(c3)OCO4)ccc12 72138159 OBLBPUMQXLQMDZ-HTAPYJJXSA-N 401.437 5.296 0 1 HKAF CC[C@H](C)NC(=O)c1cnc(N[C@@H](C)CC)nc1-c1ccc(-c2ccccc2)cc1 82154172 WFMGIIWYZNPQFL-ROUUACIJSA-N 402.542 5.549 0 1 HKAF CCCCCc1nc(-c2cnc(NC3CCCCC3)nc2-c2ccccc2F)oc1C 82175144 ZBGAFHMXEBOWRL-UHFFFAOYSA-N 422.548 6.723 0 1 HKAF COc1cc(Nc2cccc3[nH]c(-c4ccc(F)cc4)nc23)ccc1-n1cnc(C)c1 95577549 PCAZIKURHILOSM-UHFFFAOYSA-N 413.456 5.615 0 1 HKAF Cc1ccsc1C(=CCCN(C)[C@@H]1CCCC=C1C(=O)O)c1sccc1C 95582269 MTVVZKYZYJUBSB-LJQANCHMSA-N 401.597 5.744 0 1 HKAF CCCCN(C)Cc1c(-c2ccccc2)sc(N)c1C(=O)c1ccc(Cl)cc1 96914657 UCWUZBZNSHVDPB-UHFFFAOYSA-N 412.986 6.114 0 1 HKAF Cc1ccc(S(=O)(=O)Nc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)cc1 103201394 CTWNRJILCYANQX-UHFFFAOYSA-N 421.440 5.394 0 1 HKAF Clc1ccc(N2[C@H](c3ccccc3)[C@@]23C(c2ccccc2)=Nc2ccccc23)cc1 103276143 OLKAHVVUDOZSQY-KXNYULQOSA-N 406.916 6.931 0 1 HKAF CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc4ccccc4n32)cc1OC 103539517 WRDGUEOJTRJCJM-HSZRJFAPSA-N 417.509 5.751 0 1 HKAF CC1(C)CC2=Nc3nn(-c4ccccc4)c(O)c3[C@@H](c3ccccc3Cl)C2=C(O)C1 103547111 CJGFHWXXFYHXNE-IBGZPJMESA-N 419.912 6.081 0 1 HKAF CCOc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 103682737 GYDITFIWXKRIEA-NRFANRHFSA-N 420.900 5.669 0 1 HKAF COc1ccc(CN(c2cc3ccccc3s2)S(=O)(=O)c2ccccc2)cc1 115231122 YYDWKXFJNQAJHE-UHFFFAOYSA-N 409.532 5.305 0 1 HKAF CCCNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2C)O3)s1 145569311 SOGGDGZGNUBLCC-HXUWFJFHSA-N 408.523 5.450 0 1 HKAF CC(C)COC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 167198324 AMBATUWSQRROKC-UHFFFAOYSA-N 410.945 5.524 0 1 HKAF FC(F)(F)c1ccc2nc([C@@H]3[C@H]4Oc5ccc(Oc6ccncc6)cc5[C@@H]43)[nH]c2c1 207814839 MQIILRMBQJPTPO-AABGKKOBSA-N 409.367 5.411 0 1 HKAF CC(C)CC(=O)OC[C@@H]1C[C@]23CC[C@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@H]2CC[C@H]1C3 238757628 ZOILZTWSQHWPGH-IVUJLWJZSA-N 404.591 5.689 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@@H](O)C4(C)C)CC3=CC[C@]12C 238786189 KYXAMSIYYVIHGX-STRZZDKSSA-N 424.713 8.255 0 1 HKAF C[C@H](CN1CCCC[C@H]1CC1CCCCC1)c1cccc([C@H](N)c2ccccc2)c1 253806612 NBDIZIFCDBWQLF-KKVCJECGSA-N 404.642 6.663 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257562753 VETZNBAGZJYCQT-GUUNXTRESA-N 414.674 7.102 0 1 HKAF endogenous,in-man O=C(Nc1cccc(F)c1)Nc1cc2ncncc2cc1OCc1ccccc1F 299831651 KDTKPLSRBIPTOP-UHFFFAOYSA-N 406.392 5.131 0 1 HKAF O=c1oc2ccccc2c(O)c1C1=Nc2ccccc2S[C@H](c2ccccc2O)C1 473109407 RNLOOBHUCZXALK-NRFANRHFSA-N 415.470 5.562 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c(CCc3cc4ccccc4o3)nc2c1 586903397 JVEDPLYNYFQSEE-UHFFFAOYSA-N 413.271 5.034 0 1 HKAF Cc1ccc2c3c(cc(-c4cc5ccc(F)cc5oc4=O)nc13)-c1ccccc1C2=O 586995511 LNDNWCRHTUDXTI-UHFFFAOYSA-N 407.400 5.667 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc3c(c2[nH]1)CCCC3 587034299 HBXLLWAQBJXVDW-LJQANCHMSA-N 403.551 5.928 0 1 HKAF Cc1c(Br)ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 587050258 GVNIJVVQPICJLC-UHFFFAOYSA-N 422.109 6.868 0 1 HKAF Clc1ccc(-c2ccc(-c3nc4cc(Sc5ccccc5)ccc4[nH]3)cc2)nn1 587087155 IGWYXIHJMAUKLO-UHFFFAOYSA-N 414.921 6.492 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(N4CCC(O)CC4)cc3)nc3cccc1c23 587104811 JTVIKEABCCYXCF-UHFFFAOYSA-N 406.485 5.074 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc2c1 587113691 WZAGRGAHWZMRMZ-UHFFFAOYSA-N 406.205 5.868 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)ccc2F)cc1 587139232 CWGDXWOHYCSWQK-UHFFFAOYSA-N 400.240 5.940 0 1 HKAF CC(C)COc1cc2nc(-c3cc4cc(N)ccc4o3)[nH]c2cc1Br 587251689 LOPKDTMOASTMBI-UHFFFAOYSA-N 400.276 5.356 0 1 HKAF O=C(c1ccc(-c2cccs2)cc1)c1c(CO)oc2cc(Br)cnc12 587275613 CJLCKGJUDWRMPB-UHFFFAOYSA-N 414.280 5.042 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(OC)c(OC)c2C3)c1 587362678 MIGIGTGIMMOKLR-UHFFFAOYSA-N 423.468 6.245 0 1 HKAF COc1cccc(-c2cc(CC(=O)Nc3cccc(C)c3)nc3c2oc2ccccc23)c1 587364041 ZHMUZBWBWAKUHG-UHFFFAOYSA-N 422.484 6.146 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-c1ccc(C(=O)O)c(Cl)c1)O2 587377247 VPSXFZGGLIJDLF-NRFANRHFSA-N 407.853 5.302 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)c(CCc3ccncc3)n3ccccc13)O2 587394248 RSNUQRSMJVWKGH-XMMPIXPASA-N 411.505 5.025 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(C)cc4)nc4ccc(C)cn14)[C@@H](C2)C3=O 587436467 ROHGEMFFXHPDDX-AFMDSPMNSA-N 410.473 5.115 0 1 HKAF CCCc1c(O)ccc2c1OC1(CCCCCCCCCCCCCC1)CC2=O 587484518 SQQUEEZVLOJBLM-UHFFFAOYSA-N 400.603 7.524 0 1 HKAF O=C1C[C@@H](c2cccc(OCc3ccccc3F)c2)Oc2c1ccc1c2CCCC1 587500494 CEVYXDPYRDYXDT-VWLOTQADSA-N 402.465 5.990 0 1 HKAF Cc1ccc(-c2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1F 587500973 ACWWMEOEVSHWEQ-HHHXNRCGSA-N 400.493 6.561 0 1 HKAF O=C1C[C@@H](CCc2cccc(SC(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587510170 ZLQCCGXVEOSWES-MRXNPFEDSA-N 406.469 6.144 0 1 HKAF C[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538433 DVMGHSIFKRZUKD-GHTZIAJQSA-N 411.251 5.032 0 1 HKAF Cc1cc(OC(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587554728 JBEAEIQYXBVTKZ-KNQAVFIVSA-N 412.388 5.313 0 1 HKAF C[C@@]1(CCSc2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571385 NQKAHGSOOIMJFO-OFNKIYASSA-N 410.466 5.434 0 1 HKAF Nc1cccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CC(=O)O)c1 587628231 PNQVFXXILBSZRE-UHFFFAOYSA-N 402.294 5.082 0 1 HKAF Cc1cc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nc2ccc(Cl)cc12 587656910 LGLCNYUGPSRSFV-UHFFFAOYSA-N 415.855 5.702 0 1 HKAF Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587681350 WVFBPIYMQZAIGC-QGHHPUGFSA-N 413.128 5.283 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3ccnc3)cc2Cl)N1 587694861 MNIGLSSHBNPTTK-WLRWDXFRSA-N 420.713 5.051 0 1 HKAF CCOc1ccc(Cl)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587696012 KLFQKAITIFONDY-WLRWDXFRSA-N 412.730 5.438 0 1 HKAF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C(F)(F)F)c1 587710082 FHGGUFJADKZMRT-HUTHGQBESA-N 418.228 5.239 0 1 HKAF Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1Cl 587718851 OOTMBFCYDCQFJQ-MLCYQJTMSA-N 400.694 5.487 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2OC(F)(F)F)N1 587720408 NOEBQQFUROKSJR-ZKANADHPSA-N 422.191 5.250 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CSC(F)F)o2)N1 587722435 YQLXZKCLYWWIJT-AYVTZFPOSA-N 406.267 5.261 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2c2ccccc2n3C)N1 587753242 AMRJBYYLPUEDJG-XMHCIUCPSA-N 413.334 5.194 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccccn3)o2)N1 587848119 ZQDNQHCVHPTDFW-WYRIXSBYSA-N 419.319 5.351 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccccc1SC 587867243 YJTUMWSUSWMORB-UHFFFAOYSA-N 406.429 5.378 0 1 HKAF CS(=O)(=O)Nc1ccc(-c2csc(-c3cccc(Oc4ccccc4)c3)n2)cc1 587924241 OAVFLNLGSGVDEG-UHFFFAOYSA-N 422.531 5.641 0 1 HKAF CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCc3ccccc3)cc12 653723633 VNXVKEPBEPZUKM-UHFFFAOYSA-N 413.517 5.796 0 1 HKAF CN(Cc1ccccc1Cl)C(=O)C[C@@]1(C)NCCc2cccc(-c3ccccc3)c21 962664658 PFBGVBIGUJIONC-AREMUKBSSA-N 418.968 5.417 0 1 HKAF COc1ccc(C(F)(F)F)cc1[C@@H]1c2ccsc2CCN1Cc1cccnc1 962999495 RWFCPAUUZJSPER-FQEVSTJZSA-N 404.457 5.318 0 1 HKAF CCOC(=O)CCC[C@]1(c2cc(F)cc(F)c2)c2c(F)cccc2C[C@@H]2CCCN21 963098564 IKRIWXCEGARRGL-RDPSFJRHSA-N 417.471 5.101 0 1 HKAF c1ccc(COc2ccc3[nH]c4c(c3c2)CCN[C@@H]4c2cccnc2-c2ccco2)cc1 963816469 BXJBSFCJWLEFPS-AREMUKBSSA-N 421.500 5.637 0 1 HKAF NC(=O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1 1857753064 WUPSCSBDGJQCQR-UHFFFAOYSA-N 405.457 5.788 0 1 HKAF CCCC(=CCl)CCCC(=O)N[C@H](C)C[C@H](C)C(=O)[C@H](C)CCC=CCl 2356674618 OEEXJHFQVSGEBK-FGTMMUONSA-N 404.422 6.348 0 1 HKAF CCCCCCNc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1 2014430 FATOXPSWJOSMLC-UHFFFAOYSA-N 414.979 5.517 0 1 HKAF O=S(=O)(/C=C/c1ccc(F)cc1)Cc1ccc(Nc2ncnc3ccccc23)cc1 3942634 SUDURCZBZBOZBB-BUHFOSPRSA-N 419.481 5.098 0 1 HKAF CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCCC 4213765 WXTHNSQYEFGFAK-JWQCQUIFSA-N 406.570 6.284 0 1 HKAF O=C(O)/C=C/c1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1 13554025 GRUALMGQQAUCDN-ISLYRVAYSA-N 406.481 6.697 0 1 HKAF CCCCCOc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OCCCCC 13584615 ONBHYFQVYQSQFZ-UHFFFAOYSA-N 410.510 6.304 0 1 HKAF Cc1ccc(C)c(C2(CNC(=O)Nc3c(C(C)C)cccc3C(C)C)CCCC2)c1 13736857 OUUPLVBWAWIJKI-UHFFFAOYSA-N 406.614 7.184 0 1 HKAF COc1cc2c(cc1OC)C(=O)[C@H](CCCCC1CCN(Cc3ccccc3)CC1)C2 13744611 NJXCWOPVWKZAJJ-JOCHJYFZSA-N 421.581 5.531 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)OCOC(=O)C(C)C)C(C)(C)CCC1 26747461 NDHAVAUTZICKCU-NUAALOKZSA-N 400.559 6.218 0 1 HKAF S=C(NCc1ccccc1Cl)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 28709447 KNAUQCVETSFAIZ-JOCHJYFZSA-N 405.954 5.566 0 1 HKAF CCCCNc1nccc(-c2c(-c3ccc(F)cc3)nn3c(OCCF)cccc23)n1 34350560 GFANAAWSJNBJLM-UHFFFAOYSA-N 423.467 5.158 0 1 HKAF Cc1cccc2nc(-c3ccc(-c4ccc(CN5C[C@@H](C)O[C@H](C)C5)cc4)cc3)[nH]c12 45226610 RBCHKZMXDDXCRV-WOJBJXKFSA-N 411.549 5.815 0 1 HKAF COc1ccc(C(=O)[C@H]2C[C@@H]2CN2CC=C(c3c(C)[nH]c4ccccc34)CC2)cc1 45229065 ZIBUAIDTTBQCKB-OFNKIYASSA-N 400.522 5.093 0 1 HKAF CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CCCC(C)C)C1 45673104 RCXPTZJNVLDKKV-XBTUKZESSA-N 400.691 8.043 0 1 HKAF biogenic O=C(NCc1cccs1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 71294773 CTWALDNNFVEIKS-UHFFFAOYSA-N 401.447 5.141 0 1 HKAF O=C(CCC1(c2ccc(F)cc2)CCCCC1)C1CCN(Cc2ccccc2)CC1 72113557 OVEAWGMEVJJGNZ-UHFFFAOYSA-N 407.573 6.289 0 1 HKAF COc1ccc(C(=O)N(Cc2c(C)noc2-c2ccccc2)C2CCCCC2)cc1 72127887 LGLKFIKLBDQBHL-UHFFFAOYSA-N 404.510 5.634 0 1 HKAF COc1ccc(CON(Cc2cccc(Oc3ccccc3)c2)c2ccccn2)cc1 73196105 CLGPJTCJBZCQSC-UHFFFAOYSA-N 412.489 6.021 0 1 HKAF CCCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccc(-c3ccccc3)cc2)n1 82176237 ARXHPADCWIIIMM-UHFFFAOYSA-N 414.578 6.763 0 1 HKAF Cc1ccccc1-c1nc(N(C)CC(C)C)ncc1-c1nc(-c2ccccc2)c(C)o1 82177284 JHWDNDNOHNUFAG-UHFFFAOYSA-N 412.537 6.175 0 1 HKAF CCCCCn1c(CCc2ccccc2)nc2c(NCc3ccc(C)cc3)ncnc21 82179307 OOSUNDCMXFXPTP-UHFFFAOYSA-N 413.569 5.722 0 1 HKAF COc1cc([C@H]2CC(=O)c3ccccc3O2)cc(OC)c1OC(=O)Nc1ccccc1 98084338 AFOWILONQHSNER-HXUWFJFHSA-N 419.433 5.021 0 1 HKAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)COc2ccc(Cl)cc2)[C@@H]2CC[C@@H]1C2 100930628 LXTJSOWJRUNEQA-XPGWYXGVSA-N 418.961 5.499 0 1 HKAF Cc1cc(C2CCC(O)CC2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C 103174162 XNVHTYFHZNWYKC-UHFFFAOYSA-N 405.926 5.330 0 1 HKAF COc1ccc(/C=C\c2ccc3oc(=O)c(-c4ccc(OC)c(OC)c4)cc3c2)cc1 103179819 MQXZUEKJQWPRFA-PLNGDYQASA-N 414.457 5.656 0 1 HKAF CN(C)C(=S)O[C@H]1C[C@@H]2CCCC[C@@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1 103247418 UFLKWWJBZJDAKK-UJXJSONBSA-N 424.585 5.959 0 1 HKAF CCOC(=O)N[C@@H]1C[C@@H]2CCCC[C@@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1 103247456 OATYAVBHSWFIAD-URHAGFEASA-N 408.517 5.842 0 1 HKAF CCOC(=O)[C@](C)(Cc1ccccc1)c1ccnc2c(-c3ccccc3Cl)cnn12 115650336 LMLXWAXYSRKAEI-XMMPIXPASA-N 419.912 5.113 0 1 HKAF Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 141538986 NBGUMAQVGBDBTA-UHFFFAOYSA-N 419.550 5.056 0 1 HKAF CCCCCCCCS(=O)(=O)Nc1ccc(-c2ccccc2Cl)cc1C(=O)O 143729641 YDYLJCKXUMPDBJ-UHFFFAOYSA-N 423.962 5.807 0 1 HKAF COc1cccc2c1-c1ccc3c(c1[C@H]([C@H]1/C=C/CCCCC1)O2)C(C)=CC(C)(C)N3 195038650 NYZPSKBMSBIASN-SMWYRGRHSA-N 415.577 7.540 0 1 HKAF C=CC(=O)Nc1cccc(Nc2ncc3nc(Nc4ccccc4)n(C(C)C)c3n2)c1 199000046 KJFSEEWSSQIOAL-UHFFFAOYSA-N 413.485 5.019 0 1 HKAF C[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(-c2ccoc2)cc1F 253961195 MSAYVNPLYDDUJO-UZLUZJFJSA-N 401.481 5.998 0 1 HKAF Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c2ccccc12 473172359 WEXKYZXMDCSALY-UHFFFAOYSA-N 410.429 5.103 0 1 HKAF CCc1oc2ccccc2c1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586903720 NOJIWEQQBXCVFH-UHFFFAOYSA-N 409.205 6.320 0 1 HKAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)cc1 586937998 IGIVYAAPIKYHBJ-INIZCTEOSA-N 421.522 5.099 0 1 HKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(Cl)c(F)cc2[nH]1 586982586 MJMAKJPWAAXFBM-ZDUSSCGKSA-N 409.730 6.490 0 1 HKAF Oc1nc2cc3nc(/C=C\c4ccc(-c5ccc(Br)cc5)o4)[nH]c3cc2[nH]1 586998943 SSMJOKFGCQRWAH-VURMDHGXSA-N 421.254 5.338 0 1 HKAF Brc1ccc(-c2ccc(/C=C/c3nc4cc5c(cc4[nH]3)OCO5)o2)cc1 586999181 XXJVJEZJUZREFY-SOFGYWHQSA-N 409.239 5.485 0 1 HKAF CC(C)(C)c1cccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c12 587000284 IBNYWXFGSYSQDT-INIZCTEOSA-N 411.347 5.347 0 1 HKAF CSc1ccc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 587070793 HXAPEMIQZMRMEZ-YFJCXSBHSA-N 403.378 6.958 0 1 HKAF Cc1ccc2c3c(cc(-c4cccc(N5CC(C)(C)C5=O)c4)nc13)-c1ccccc1C2=O 587098872 WUUMOOBLLLFWKA-UHFFFAOYSA-N 418.496 5.794 0 1 HKAF CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@H]2c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105529 CNKZNYDYOGMFSD-ZLUZWTFRSA-N 412.489 5.169 0 1 HKAF Fc1cc(Br)ccc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587142589 GWALKPXWKUHGHJ-UHFFFAOYSA-N 410.115 5.181 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cccc(C(F)(F)F)c4[nH]3)cc2F)c1 587142791 DDVSZAQHWSHQMX-UHFFFAOYSA-N 420.793 6.717 0 1 HKAF Fc1cccc([C@H]2C[C@@H]2c2nc3c(Br)ccc(Br)c3[nH]2)c1 587160814 HCIIVPRZXQDWKD-MNOVXSKESA-N 410.084 5.498 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587192586 WGSAQXVQDSWHNU-KRWDZBQOSA-N 405.420 5.538 0 1 HKAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(Br)c(F)c2[nH]1 587201507 PGCQRJXJSSOHEI-UHFFFAOYSA-N 414.319 5.045 0 1 HKAF CCc1ccc([C@@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587352028 IDFRURLOHYKFGF-AOYPEHQESA-N 404.481 6.004 0 1 HKAF CCCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352105 IHJXCRGRMUCOBV-AHKZPQOWSA-N 418.508 6.756 0 1 HKAF CC(C)c1ccc2c(c1)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355828 WOLFAUYAWOODSJ-VPUSJEBWSA-N 416.492 6.245 0 1 HKAF Oc1nc(O)c2ccc(-c3ccc(Oc4ccc(Cl)cc4)cc3Cl)nc2n1 587369311 ZUNZNIBIENUIRH-UHFFFAOYSA-N 400.221 5.202 0 1 HKAF COc1cc2c3c(c1)OC1([C@@H](C2)C3=O)[C@@H](c2ccccc2)CCC[C@@H]1c1ccccc1 587447411 RMRUIJCPSIOQMN-SMIHKQSGSA-N 410.513 5.933 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCc3cc(Br)cc(F)c31)CC2=O 587470721 HEJAUESRDSKADZ-HXUWFJFHSA-N 405.263 5.053 0 1 HKAF O=C1C[C@@H](c2c(Br)ccc(Cl)c2F)Oc2c1ccc1c2CCCC1 587502505 FCFTTYDIDNNACM-INIZCTEOSA-N 409.682 5.827 0 1 HKAF O=C1C[C@@H](c2c(Cl)cc(C(F)(F)F)cc2Cl)Oc2c1ccc1c2CCCC1 587508449 OXJPCYHEMXHHDN-KRWDZBQOSA-N 415.238 6.598 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1 587692292 BBXHLYBCFORKSK-APBUJDDRSA-N 420.713 5.255 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2c(Cl)cccc2Cl)N1 587694684 PZQFDIJJBGLIQN-YPMLDQLKSA-N 417.149 5.887 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)c(F)cc2Cl)N1 587718745 ODDJYYQJQIBMAX-CQLKUDPESA-N 404.657 5.318 0 1 HKAF CCCCn1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 587754908 FJZJJWVMVBFYRF-ZUOKHONESA-N 416.338 5.362 0 1 HKAF Brc1ccc(Br)c2[nH]c(COC/C=C/c3ccccc3)nc12 587781617 XOQRZUMFHPDGNU-QPJJXVBHSA-N 422.120 5.318 0 1 HKAF CCC[C@H](OC)c1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587793870 NXFLCMPTOCGKPJ-RWGOJESNSA-N 420.366 5.874 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)C[C@@]1(CC3)N[C@H](C)Cc2cc(Br)c(F)cc21 587801759 IACYIVQAABAGBV-MCMMXHMISA-N 413.334 5.296 0 1 HKAF CCCc1ccc([C@@]2(C(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587809966 BQWDKQSRFFVVGW-OYHNWAKOSA-N 404.367 5.975 0 1 HKAF Cc1ccc(OCC2CC2)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587810505 UPTISKWRVTXZPZ-LRTDBIEQSA-N 404.323 5.309 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cs2)N1 587849685 VHMMCLKIASRZRR-WJWGPLDTSA-N 405.130 5.036 0 1 HKAF Cc1nc2scc(C3CC3)n2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587855575 JPEIODSNCWISQJ-XYZCENFISA-N 420.351 5.107 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sccc1OCc1ccccc1 587871781 BOUGBFSQFZTQPF-UHFFFAOYSA-N 422.481 5.417 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccnc(N)c2[nH]1 587958169 BFFRMQOVKBDPID-XSCOUVMYSA-N 418.629 7.394 0 1 HKAF Clc1ccc(-c2nnc(/C=C/c3ccc(Br)s3)o2)cc1Cl 653713038 PVLBRRNIBZCOIL-ZZXKWVIFSA-N 402.100 6.038 0 1 HKAF COc1ccc(C2=Cc3ccc(F)cc3[C@H](CC(C)=O)N2c2ccc(O)cc2)cc1 653786059 GERWXYRPLQVLCR-VWLOTQADSA-N 403.453 5.578 0 1 HKAF COc1c(F)cc(CC[C@@H]2c3ccsc3CCN2Cc2cccn2C)cc1F 962374998 QGOPHCVKSCGVQW-HXUWFJFHSA-N 402.510 5.106 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCc1cccc(F)c1)c1ccc(F)cc1F 963233796 DGMCWOGLQJKKCJ-WINIVTDRSA-N 423.522 6.637 0 1 HKAF CCc1cccc([C@]2(C)c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)c1 963840849 CVNPYZCFSOSAKU-QFQXNSOFSA-N 423.553 5.457 0 1 HKAF COc1cc2c(cc1C(=O)Nc1ccc(C)cc1)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C 1772586814 KRZLLNCKBNROLJ-JCYRPKCISA-N 407.554 5.257 0 1 HKAF CCOC(=O)CCc1ccc(-c2cc(C)cc(Nc3nccc(C4CC4)n3)c2)cc1 1772628759 AHWMSLKZLSYUKM-UHFFFAOYSA-N 401.510 5.569 0 1 HKAF CC(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857578136 FONGTJKKNAMZRQ-MBOCNQOASA-N 416.690 6.750 0 1 HKAF O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc2nc(-c3ccsc3)nn2c1 1857586911 CEWYBOBWQYENGH-UHFFFAOYSA-N 419.388 5.000 0 1 HKAF CC(C)CC[C@@H]1C[C@H](Cc2ccc(O)cc2)C[C@H]([C@@]23CC[C@@H]([C@@H](N)C2)C(C)(C)O3)C1 2356369988 KHUUTQFLJGKBMD-YZMSDHBBSA-N 413.646 6.078 0 1 HKAF CC(C)=CCCC(C)=CCOc1ccc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1 2356403897 XHCAXPZUMUUNKN-HSZRJFAPSA-N 408.494 5.876 0 1 HKAF CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCC(=O)C(C)C)C1 2356447899 ISWCIVAWIORWPI-JDTILAPWSA-N 414.674 7.222 0 1 HKAF CC1(C)OC(=O)C=C[C@]2(C)[C@@H]1C[C@H](O)[C@]1(C)C3=CC[C@H](c4ccoc4)[C@@]3(C)CC[C@@H]21 2356507652 ZPDGIAXQQRWSBB-BFYMEHLMSA-N 410.554 5.395 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C 2356543825 YRWIUNJQYGATHV-IRAZZGIESA-N 402.663 6.361 0 1 HKAF COc1cc2c(-c3ccc4cc[nH]c4c3)c(-c3ccsc3)oc(=O)c2cc1OC 36388723 UUFVAAYJGARGFX-UHFFFAOYSA-N 403.459 5.687 0 3 HKAF CCCCn1nnnc1[C@@H](c1cc2ccccc2o1)N(C)Cc1ccc(Cl)cc1 95567536 WGPSYPMFTXCMLX-OAQYLSRUSA-N 409.921 5.094 0 3 HKAF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(C(C)C)cc1 773497 BJTXGVLNWSLQDW-IIBYNOLFSA-N 424.516 5.408 0 1 HKAF CC(C)(C)c1noc(-c2ccccc2)c1C(=O)NCc1cccc(OC(F)(F)F)c1 2483544 ITILSRVZDCHYTO-UHFFFAOYSA-N 418.415 5.468 0 1 HKAF CC[C@]1(c2ccc(CNc3ccccc3)cc2)Oc2ccccc2-n2cccc2C1=O 13675333 JNJMKXNEZVZYHV-HHHXNRCGSA-N 408.501 5.970 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](NCc1ccco1)c1ccccc1 13737294 IRJXFWXQMUTBKI-XMMPIXPASA-N 419.569 6.179 0 1 HKAF FC(F)(F)c1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)ccc1Cl 13808861 ONVYCEKKOOSVPA-UHFFFAOYSA-N 414.818 6.031 0 1 HKAF C[C@@H]1CC=C[C@@H]2[C@@H](c3ccc(F)c(Br)c3)N(Cc3ccccc3)C(=O)[C@@H]21 13830593 ZESNJJBGEWLRGV-GYPMPWGGSA-N 414.318 5.500 0 1 HKAF COc1ccc(C[C@H]2NCCc3c2[nH]c2ccc(C4CCCCC4)cc32)cc1OC 26665767 BNKIQBGUWLBPAV-HSZRJFAPSA-N 404.554 5.662 0 1 HKAF CC(=O)Oc1c(C)n(CCCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1=O 26990258 CONHLPQFJGKPFL-UHFFFAOYSA-N 413.558 5.015 0 1 HKAF CCN[C@@H](c1c(Cl)cccc1Cl)[C@H](NCC)c1c(Cl)cccc1Cl 28764739 NVUUFFOEABCOCG-HDICACEKSA-N 406.184 6.302 0 1 HKAF CN(C)C(=O)Cn1c(-c2ccccc2)c(C2CCCCC2)c2cc(C(=O)O)sc21 36350454 OFQMOHBSPCNHAT-UHFFFAOYSA-N 410.539 5.204 0 1 HKAF COC(=O)Nc1cc(C(=O)c2c(C)cncc2Cl)cc(-c2cccc3[nH]ccc23)c1 66102106 YPDCGTQKLHGIFI-UHFFFAOYSA-N 419.868 5.601 0 1 HKAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2ccc(F)cc2)C1 82139812 ZGUMREAGTIRXSI-OALUTQOASA-N 424.564 5.170 0 1 HKAF c1ccc(OCCNc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3)n2)cc1 82162756 UUVPFUSDQCADOP-UHFFFAOYSA-N 424.529 5.911 0 1 HKAF Cc1cccc(-c2nc(N3CCC(C)CC3)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 82173476 CCKXVSFNVWNDEF-UHFFFAOYSA-N 424.548 6.319 0 1 HKAF COc1ccccc1OC[C@H]1Cc2ccccc2CN1C(=O)c1cccc2ccccc12 84668636 DBHOIOXMNWQGBB-HSZRJFAPSA-N 423.512 5.495 0 1 HKAF Cc1cc(O)cc2c1O[C@]1(C)CC[C@H]3[C@](C)(CC[C@H]4C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]1C2 85916976 LRMHPGVONLYGQD-MYTOUXFFSA-N 412.614 6.024 0 1 HKAF CCN(CC)c1ccc(Nc2nc(-c3ccc(-n4cnc(C)c4)cc3)cs2)c(C)c1 95579448 STHDSCNBFUBXHO-UHFFFAOYSA-N 417.582 6.202 0 1 HKAF CSc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc(-c4ccco4)c3)C2)c1 96272146 RXBYKHNWMUIGEP-LJQANCHMSA-N 420.534 5.159 0 1 HKAF COc1c2c(cc3c1[C@@H]1Oc4ccc5c(c4[C@@H]1CO3)C=CC(C)(C)O5)OC(C)(C)C=C2 96902384 CHRTXQBCJYLRQW-UPCLLVRISA-N 418.489 5.673 0 1 HKAF O=C(c1ccccc1F)N1CC[C@@H]2C[C@@H]1c1cc(-c3ccc4c(c3)OCO4)ccc12 102911810 OBLBPUMQXLQMDZ-VGOFRKELSA-N 401.437 5.296 0 1 HKAF CCOc1ccccc1[C@H]1C2=C(O)C[C@H](c3ccccc3)CC2=NC(C)=C1C(=O)OC 103544052 KYFPGPXUVIDZIA-HOYKHHGWSA-N 417.505 5.460 0 1 HKAF CC(=O)O[C@@H]1C[C@@]2(C)CC(c3ccc(C)c(O)c3)=CC[C@H]2[C@@]2(C)CCCC(C)(C)[C@@H]12 136095251 CCXWTNLPPHXPFG-PSLZPQDOSA-N 410.598 6.668 0 1 HKAF COc1cccc2ccc(COc3ccc(-c4c(-c5ccncc5)cnn4C)cc3)nc12 169324888 JSORIBXUNUENLN-UHFFFAOYSA-N 422.488 5.285 0 1 HKAF O[C@@H](C[C@H]1CCCCN1)c1cc(Oc2ccc(Cl)cc2)nc2ccc(Cl)cc12 169334320 SMKVAEJSDUSUOF-IERDGZPVSA-N 417.336 5.900 0 1 HKAF CCCN(CCC)C(=O)[C@@H]1C(C)=Nc2ccnn2[C@@H]1c1ccc(Cl)c(Cl)c1 169720764 IBUCUBNOYQICMA-RTBURBONSA-N 407.345 5.150 0 1 HKAF COc1ccc(-c2coc3cc(OC/C=C(/C)CCC=C(C)C)ccc3c2=O)cc1 238740590 NIHAJZITTDENLE-RGEXLXHISA-N 404.506 6.540 0 1 HKAF C/C=C(/C)C(=O)O[C@@H]1C[C@@H](C)[C@](C)(CC/C(C)=C/C(=O)OC)[C@H]2CCC=C(C)[C@]12C 238754697 GRAKDQZADDSMPS-UDINGOFWSA-N 416.602 6.173 0 1 HKAF C/C=C(\CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1CC3)C(C)C 255271246 UEZKFNIGXFVXCX-GXOIURNASA-N 412.702 8.089 0 1 HKAF CC[C@H](CC[C@@H](C)[C@@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]21C)C(C)C 255285020 YQQOGXLLGWWKQH-OHLQLBCVSA-N 414.718 8.169 0 1 HKAF Cc1cc2c(Br)ccc(-c3nc4ccc(Br)nc4[nH]3)c2o1 587004639 WYMAGJMLZGKCNL-UHFFFAOYSA-N 407.065 5.205 0 1 HKAF COC(=O)c1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1 587068178 KIHZTKGYNCQRPF-UHFFFAOYSA-N 418.840 5.116 0 1 HKAF O=C(O)c1cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1F 587072305 XWBKJPAYHOPBTN-TWGQIWQCSA-N 422.843 5.803 0 1 HKAF Cc1c(Br)ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587083161 IMYNJVKEHQREFT-UHFFFAOYSA-N 407.098 6.156 0 1 HKAF CCOC(=O)C[C@@H](C(=O)CC)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 587096862 IETWCLYYIRLANG-IBGZPJMESA-N 415.489 5.079 0 1 HKAF COc1cc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2cc1Cl 587138934 WERUGZUDLPWOID-UHFFFAOYSA-N 414.795 5.535 0 1 HKAF CCCCNS(=O)(=O)c1ccc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2c1 587153699 ZFYBBBAAFBKRKW-UHFFFAOYSA-N 423.513 5.114 0 1 HKAF CN1CCN(c2ccc3nc(/C(=C\c4ccc(F)cc4)c4cccs4)[nH]c3c2)CC1 587164304 PQHWIZZIJNGNAZ-HKWRFOASSA-N 418.541 5.104 0 1 HKAF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(I)cc2[nH]1 587169981 GWYRCNBQXSJRPT-JTQLQIEISA-N 412.271 5.202 0 1 HKAF Clc1ccc(COc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)cc1Cl 587209381 OMMWQCQZLNHXEA-UHFFFAOYSA-N 406.312 6.886 0 1 HKAF C[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325954 ILHGHAAGPAUGKA-IFMALSPDSA-N 417.263 6.112 0 1 HKAF CCC[C@@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354589 OAZONAANEZIIBV-AHWVRZQESA-N 404.481 6.062 0 1 HKAF COc1ccc([C@]2(Cc3ccc(Cl)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587379707 WGNDYOMVFKKZSX-DEOSSOPVSA-N 407.897 5.343 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(OC(C)=O)c(OCC)c1)CC2=O 587458331 AIZGLCUOUKAMLA-IBGZPJMESA-N 418.873 5.029 0 1 HKAF CCCC[C@@]1(c2ccc(Cl)cc2Cl)CC(=O)c2ccc(O)c(CCC)c2O1 587460499 GLPAUNXTTQKMHL-QFIPXVFZSA-N 407.337 6.702 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc3c(-c4ccccc4)nn(C)c3s1)CC2=O 587495026 MYEQYKZHJWIJLV-FQEVSTJZSA-N 418.518 5.666 0 1 HKAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccnn1C(C)C 587517898 WUGPKVJFQZMKPU-QHCPKHFHSA-N 403.526 5.457 0 1 HKAF Cc1ccc(-c2onc3ccc([C@@H]4CC(=O)c5ccc6c(c5O4)CCCC6)cc23)cc1 587528364 YCRBNQPUAMHGSQ-VWLOTQADSA-N 409.485 6.389 0 1 HKAF CCSc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1Cl 587532792 ONWPYHDIYCZPCC-JOCHJYFZSA-N 421.389 6.865 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cnc(Cl)cc2c1 587552068 NATGVAUUCFDASD-REWPJTCUSA-N 403.821 5.297 0 1 HKAF O=C(c1ccccc1Cl)c1c(-c2ccccc2Cl)[nH]c2ccc(F)c(Cl)c12 587628786 PYCNWVSYPHPGDG-UHFFFAOYSA-N 418.682 7.165 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc3ccc(Cl)cc23)N1 587696437 KKTOBGMUCAVGNO-OVWNDWIMSA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2cccs2)(C(F)(F)F)N1 587706230 PKVICXHBJCGFJN-QJNXFATRSA-N 420.269 5.655 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(C(F)(F)F)N1 587707031 SDZHILHGDFJSND-XIKOKIGWSA-N 416.256 5.513 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(F)c3F)o2)N1 587725145 BMUABKZZGJWFLV-WVDJIFEKSA-N 422.244 5.750 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C1CCCC1 587753330 VAYQJBVPLKUFLB-XUSGNXJCSA-N 405.355 5.745 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 587831116 WMESWKIMIABRRS-LRTDBIEQSA-N 400.291 5.780 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2SC(C)(C)C)N1 587838117 BGVHZNLUVJMPFU-LRTDBIEQSA-N 422.407 6.277 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(O)cc3)s2)N1 587848977 QJWJGPQAKSEYCG-YBTHPKLGSA-N 418.331 5.646 0 1 HKAF CCc1ccc(OCc2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)cc2)cc1 587873877 ORUIUWAPFMMNRO-UHFFFAOYSA-N 414.436 5.625 0 1 HKAF Cc1c[nH]c2ncc([C@H]3c4ccc5c(c4CCN3C(=O)OC(C)(C)C)NCCC5)cc12 961778785 RXNDNIXVZKAEKL-QFIPXVFZSA-N 418.541 5.112 0 1 HKAF COc1cc2c(cc1OC)[C@](c1ccsc1)(c1c(C)cccc1C)N(C)[C@H](C)C2 962619523 FKGBUZCYCIBKBZ-IQGLISFBSA-N 407.579 5.550 0 1 HKAF Clc1ccccc1C1([C@@H]2c3ccsc3CCN2Cc2ccco2)CCOCC1 962713204 UIOBTQJNTYWTRI-QFIPXVFZSA-N 413.970 5.842 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(C)cc2)(c2ccc(Cl)nc2)N1 962958268 PLWGVHZMJYGEGQ-CLOONOSVSA-N 401.941 5.741 0 1 HKAF Cc1cccc2c1[C@]1(C=C(Cl)CCC1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963905522 YBIQRFLEZYMZFM-VGSWGCGISA-N 405.922 5.133 0 1 HKAF CC(C)[C@H](C)COc1cncc(-c2ccc3c(-c4ccc(N)nc4F)c[nH]c3c2)n1 1772589316 GWGUQJLNQYXSQX-CQSZACIVSA-N 405.477 5.079 0 1 HKAF COc1cccc2cc(/C=C3/C[C@H](c4ccc(Cl)cc4)OC3=O)c(Cl)nc12 1857543990 NESCUFIMQOXJMS-QWSHFYNQSA-N 400.261 5.622 0 1 HKAF CC(C)=CCCC(C)=CCc1cc(C=O)c(O)c(CC=C(C)CCC=C(C)C)c1O 2356284156 QBXXIMHEUYQACX-UHFFFAOYSA-N 410.598 7.381 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@H](CO)CC[C@]4(C)[C@@H]3CC[C@]12C 2356542463 RKYSZGJUFBBPTD-NIDVNYKJSA-N 400.691 7.348 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc2oc(-c3ccc(O)cc3O)cc(=O)c2c1O 2356586511 CNACUOPDTBOMCZ-UHFFFAOYSA-N 422.477 5.518 0 1 HKAF CC(=O)C[C@H](C)COCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]12C 2356784695 PSCPTEHCJTYRLJ-WNGMIWKSSA-N 404.635 6.114 0 1 HKAF C[C@@H](C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)(C)O 2356790448 FOZVAIZOTQTSCI-SNKZPIBSSA-N 414.674 6.526 0 1 HKAF O=C(OCC(Cl)(Cl)Cl)O[C@@H]1CCCC1(c1ccccc1)c1ccccc1 5923710 POJZEPVMECUQSP-QGZVFWFLSA-N 413.728 6.049 0 1 HKAF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1cc(OC)c(OC)c(OC)c1 13680317 GQJKRWKGADIASY-UHFFFAOYSA-N 421.902 5.175 0 1 HKAF CCOC(=O)Cc1sc(-c2nsc3ccccc23)nc1-c1ccc(Cl)cc1 26475823 GZHGQVDFQLBUQY-UHFFFAOYSA-N 414.939 5.846 0 1 HKAF CCC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1cccc2ccccc12 26571688 MQTDARRTMZGNHH-FQEVSTJZSA-N 412.508 6.420 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@](C)(C[C@H](O)C3=CC(=O)O[C@@H]3O)CCC[C@]12C 26971952 JSDANYFQRXTLHP-IHAUWIJTSA-N 406.607 5.224 0 1 HKAF Cc1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2-c2ccccc2)cc1 28382711 HNLBZYLWSAFZFV-UHFFFAOYSA-N 403.482 5.357 0 1 HKAF CC(C)CCNC(=O)c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1 28563465 JGNKJLMYIDLYSB-UHFFFAOYSA-N 416.550 5.878 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3 33986460 RFSQQROZMSPZKI-IUCKADQYSA-N 400.691 7.779 0 1 HKAF O=C(NCC12CC3CC(CC(C3)C1)C2)c1nn(C2CCCCC2)c2c1CCCCCC2 34892420 JUAASCSVJGFOKG-UHFFFAOYSA-N 423.645 5.994 0 1 HKAF COC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C[C@H]2CC[C@@H]1N2CCCCCc1ccccc1 36093299 FZUMFPXNHOWEJA-ZKGSSEMHSA-N 409.545 5.348 0 1 HKAF COc1ccc(Cl)cc1Nc1nc(-c2cnc(NC(=O)C(C)(C)C)s2)cs1 40430091 LINCPHDFVQKLSE-UHFFFAOYSA-N 422.963 5.657 0 1 HKAF O=S(=O)(c1ccccc1)c1ccc(-c2c[nH]c(-c3c(F)cccc3Cl)n2)cc1 64559245 AEAUELBNPWOKBW-UHFFFAOYSA-N 412.873 5.369 0 1 HKAF Cc1ccc(CN[C@@H](CC(C)C)c2nc(-c3ccccc3)c(N3CCOCC3)o2)cc1 72102487 UVZQBKFNDUGJRL-QHCPKHFHSA-N 419.569 5.364 0 1 HKAF Cc1cc(C(=O)NC(C)(C)C)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)oc12 72317601 ZONHEUXIJXAMLY-UHFFFAOYSA-N 421.928 5.835 0 1 HKAF CC1(C)CC(=O)c2c(nn(-c3cccc(Cl)c3)c2-c2ccc(Cl)c(Cl)c2)C1 73221518 FWOTUKBPQCIXBN-UHFFFAOYSA-N 419.739 6.655 0 1 HKAF COc1ccc(-c2cnc(-c3cnc(NCC4CC4)nc3-c3ccco3)s2)cc1 82165567 DMQXOOINFSWYPP-UHFFFAOYSA-N 404.495 5.358 0 1 HKAF C[C@@H]1CCCC[C@@H]1Nc1ncc(-c2nc3ccccc3s2)c(-c2ccccc2F)n1 82175213 OQNPKBKEBSVSMF-BEFAXECRSA-N 418.541 6.550 0 1 HKAF COc1ccc(C(=O)Nc2cccc(Nc3ccc4c(c3)CCCCC4=O)c2)cc1 95579792 RFHOLNCVVDMHFK-UHFFFAOYSA-N 400.478 5.600 0 1 HKAF COc1ccc([C@@H]2OC3=C(C=C2C)C(=O)O[C@H](c2ccc(C(F)(F)F)cc2)C3)cc1 96934096 LAOLJFHZFJPPHW-PZJWPPBQSA-N 416.395 5.674 0 1 HKAF Fc1ccccc1CSc1cc2ccccc2[n+](CCCCCC2CCCCC2)c1 96939340 QHTQUJQYYMROIL-UHFFFAOYSA-N 422.633 7.699 0 1 HKAF COc1ccc2[nH]cc([C@H]3CC[C@H](CCN4CCN(c5ccccn5)CC4)CC3)c2c1 100031642 YFHRSRHMFPVJQU-OYRHEFFESA-N 418.585 5.058 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@H]1/C(=C/c1ccc(-c4ccc(C)cc4)cc1)CN2C3 100950959 VRRMSKNGCUBGOY-DRADGLLLSA-N 401.550 5.339 0 1 HKAF COc1ccc([C@@]2(OC)C=CC(C3CCCCCC3)(C3CCCCCC3)OC2)cc1 103173624 BZZMRAOLJBHECH-AREMUKBSSA-N 412.614 6.803 0 1 HKAF Clc1ccc2c(NCCCCCCCCNc3nccc(Cl)n3)ccnc2c1 103260169 OPYUPMCMPGHNEQ-UHFFFAOYSA-N 418.372 6.196 0 1 HKAF O=C(Nc1ccccc1Cl)c1ccc(-c2cc3scnc3cc2Cl)s1 114455315 IZJNQHNFNWKYND-UHFFFAOYSA-N 405.331 6.584 0 1 HKAF Cc1ncccc1-c1nc2c(Cl)cccc2cc1[C@H](C)Nc1ncnc2[nH]cnc12 144086757 DHDVJIWYMLZLBX-ZDUSSCGKSA-N 415.888 5.098 0 1 HKAF in-vitro COc1ccc(-c2noc([C@H]3[C@@H](c4ccc(Cl)cc4)C[C@H]4CC[C@H]3N4C)n2)cc1 169318927 UHKLODIEZLNQLP-WLRLJWMZSA-N 409.917 5.133 0 1 HKAF CC(C)c1ccccc1S[C@@H]1C(=O)CC(c2ccccc2)(c2ccccc2)OC1=O 169684743 UZZMKSIQOLYPDK-XMMPIXPASA-N 416.542 5.731 0 1 HKAF CC(C)CCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 211261433 MGGGWBGPYZQTFY-FNRPHRCSSA-N 402.663 6.792 0 1 HKAF C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)C[C@](C)(/C=C/C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 238784788 RFUWXMLQNIWPAD-SHXMCYKSSA-N 414.630 6.662 0 1 HKAF Cc1cccc(C(=O)c2cccc([C@H](C)CN3CCCC[C@H]3CC3CCCCC3)c2)c1 253635031 REXHJAHFEIMMEL-LXFBAYGMSA-N 417.637 7.154 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@@]43C)[C@H]1CCC2=O 253639444 FXJBFSBELBAUFO-LDWIIMKJSA-N 413.565 5.409 0 1 HKAF C[C@H]1CCC([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]32C)=NC1 255221378 JMSRDKIFVZVAMX-NQZQQBABSA-N 413.646 5.404 0 1 HKAF Cc1ccc(NC(=O)Nc2cc3ncncc3cc2OCc2cccc(F)c2)cc1 299832904 MGXSHELEMLZPOA-UHFFFAOYSA-N 402.429 5.300 0 1 HKAF CCOc1ccccc1N1[C@@H](c2ccccc2)[C@@]12C(c1ccccc1)=Nc1ccccc12 299847905 XTIDSQHPZXFIHY-SECPYKCTSA-N 416.524 6.677 0 1 HKAF Clc1cc(Cl)c(Br)c(-c2nc3c(Br)ccnc3[nH]2)c1 586976000 RGONHJOBFCVFNJ-UHFFFAOYSA-N 421.907 5.457 0 1 HKAF CC(C)c1ccccc1NC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988549 LKPAUXQMCRRJDA-UHFFFAOYSA-N 422.484 5.456 0 1 HKAF Clc1ccc(-c2nc(-c3ccccc3)c(Cc3nc4cnncc4[nH]3)s2)cc1 587012280 ADEDWDSWDZDXKQ-UHFFFAOYSA-N 403.898 5.388 0 1 HKAF Fc1c(Br)cc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1F 587029407 PCQOVYSSURHAHU-UHFFFAOYSA-N 422.254 5.306 0 1 HKAF CC(C)COc1cc2nc([C@H]3SCCc4sccc43)[nH]c2cc1Br 587036510 DEJSPIDKJZUEJS-KRWDZBQOSA-N 423.401 5.800 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Cl)cc(F)c2[nH]1 587070541 HPUVFOWEVOSHIB-BFJACADWSA-N 409.719 7.028 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587073963 OIKLQLKJQBQAOC-UHFFFAOYSA-N 417.940 5.691 0 1 HKAF Cc1ccc2c3c(cc([C@@H](C)Oc4ccc5c(c4)OCO5)nc13)-c1ccccc1C2=O 587102943 SSFGJVCBHAJIAZ-OAHLLOKOSA-N 409.441 5.623 0 1 HKAF O=C1Cc2nc3cccc4c3c(c2[C@H](c2ccccc2Cl)C1)-c1ccccc1C4=O 587104863 XWFTWBOFHDPOEC-IBGZPJMESA-N 409.872 5.747 0 1 HKAF Cc1ccc(OCC(=O)O)c2c1[C@H](C)c1c-2nc2cccc3c2c1-c1ccccc1C3=O 587105576 ACLMNCPCZWMNQX-AWEZNQCLSA-N 421.452 5.350 0 1 HKAF C[C@H](c1nc2cc(Cl)c(F)c(F)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129495 LMAMLPPKMWGMJI-GSVOUGTGSA-N 417.140 5.829 0 1 HKAF COc1c(F)cc(-c2nc3cc(Br)c(Br)cc3[nH]2)cc1F 587135030 QGTRTGDCRCZBKQ-UHFFFAOYSA-N 418.035 5.042 0 1 HKAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc5ccccc5cc4[nH]3)cc2)cc1F 587147042 CDWBFEXRENUNDK-UHFFFAOYSA-N 423.491 5.863 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cnc5ccccc5c4[nH]3)c(F)c2)c1 587147157 IXYKAEKNKRAIHZ-UHFFFAOYSA-N 413.408 5.291 0 1 HKAF Clc1cc2nc(/C=C\c3cccc(I)c3)[nH]c2c(Cl)n1 587183477 CWLLUBIWNGWQIL-PLNGDYQASA-N 416.049 5.040 0 1 HKAF c1ccc(COc2ccc3nc(CN(Cc4ccccc4)c4ccccc4)[nH]c3c2)cc1 587196012 MQOUYIFWFKKSBZ-UHFFFAOYSA-N 419.528 6.349 0 1 HKAF Cc1nc2cccc3c2c(c1[C@@H](c1ccccc1)[C@H]1C(=O)Oc2ccccc2C1=O)CC3 587216510 CQVMDVGZPPAHCZ-CLJLJLNGSA-N 419.480 5.192 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@@H]2Cn2ccnc2)[C@@H]1c1ccc(F)cc1 587342320 MYXGSPAGFQKBGW-MQVPCNEGSA-N 420.484 5.106 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC3=C(CC[C@H]4[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]43)C1)O2 587407556 KFXAQDBLJYFUTE-AMWFBHELSA-N 419.565 5.567 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc([C@@H](C)CC)cc1)CC2=O 587468420 GCLNNUPYHXSJDS-IVCQMTBJSA-N 409.526 5.611 0 1 HKAF Nc1ccccc1[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500091 LOXNLVSPHLDUJI-VWLOTQADSA-N 403.909 5.710 0 1 HKAF CCCCOc1ccc2ccccc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587520472 CETICWTUFAYRPN-VWLOTQADSA-N 400.518 6.604 0 1 HKAF O=C1C[C@H](c2cccnc2Sc2ccccc2Cl)Oc2c1ccc1c2CCCC1 587532789 ONLBFJVIONKULG-OAQYLSRUSA-N 421.949 6.472 0 1 HKAF CC(C)Oc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587541630 GFVHCTVSFUTBSX-ZJSXRUAMSA-N 424.880 5.710 0 1 HKAF Cc1cc(C(F)(F)F)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550350 UYNJLYCBWHCPAD-RXVVDRJESA-N 400.352 5.422 0 1 HKAF CC[C@]1(c2cc(F)c(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587556274 JCMQPCYHAGJKGD-DENIHFKCSA-N 400.352 5.077 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccccc2)cc1 587602487 YDWKJKWHCJALHL-BVAGGSTKSA-N 410.425 5.887 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2nccs2)cc1 587619112 QVCWDOQGPQAAEN-DENIHFKCSA-N 401.443 5.219 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Cl)c2)(C(F)(F)F)N1 587709015 HFODVDUSHXUWPY-XXFAHNHDSA-N 422.647 5.582 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(C(F)(F)F)N1 587709242 JPQGQUMSJMYZPY-JDNHERCYSA-N 406.192 5.067 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN([C@@H](C)c3ccccc3)CC2)N1 587766655 HAPHTGWHFMKIIE-HOTGVXAUSA-N 417.366 5.175 0 1 HKAF CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)C 587799730 CFXJJPUNIHFUTP-ASSNKEHSSA-N 406.339 5.734 0 1 HKAF Cc1cccc2c3c([nH]c12)[C@]1(CCC3)N[C@@H](C)Cc2cc(Br)c(F)cc21 587807702 XUCBQJYZUHAAIE-WHEQGISXSA-N 413.334 5.492 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587813844 FBZVODLAARAHDW-WAIKUNEKSA-N 410.330 5.723 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)CCc3ccccc32)N1 587822862 MZKXGWREFICOFT-JLCFBVMHSA-N 402.351 5.729 0 1 HKAF CC(C)c1ccc([C@@]2(C(C)(C)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587827417 OOIKMQVNHAZIKF-RCDICMHDSA-N 420.366 5.260 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3oc4ccccc4c3c2)N1 587832458 JYEZKVZYPNLZHH-AMXDTQDGSA-N 410.286 6.111 0 1 HKAF Oc1cc(Cc2ccccc2)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 587945260 LCMOFXHBGOXNHJ-UHFFFAOYSA-N 415.464 5.899 0 1 HKAF C[C@]1(c2ccc(Oc3cnccn3)cc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962696985 HILJXAZZYDVROT-KOSHJBKYSA-N 421.541 5.035 0 1 HKAF CC(C)(C)[C@@]1(c2ccc(Cl)cc2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962985092 AUIBAHYCELTFTB-YWZLYKJASA-N 414.279 5.160 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@]2(c1ccc(Cl)nc1)c1cccc(F)c1F 963086592 BASTYCGPVPSXFO-HXOBKFHXSA-N 414.858 5.465 0 1 HKAF CC1(C)C[C@@]2(c3ccc(F)cc3C[C@H]3CCCN32)c2cc(Br)ccc21 963099587 JRBVOYFGGPXRHJ-VGOFRKELSA-N 400.335 5.534 0 1 HKAF CC(C)c1ccc2[nH]c(C(C)(C)C)c([C@@H]3c4c(F)cccc4C[C@@H]4CCCN43)c2c1 963114504 UGMMOOGLJSZRSL-DFBJGRDBSA-N 404.573 6.838 0 1 HKAF CCOC(=O)c1c(-c2ccccc2Br)oc2c1cc(O)c1ccccc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c1cccc(CN2CCCCC2)c1)c1ccc(Cl)c(Cl)c1 5671342 XKKWHKOQXYNIAY-UHFFFAOYSA-N 421.368 5.178 0 3 HKAF CC(C)C[C@H]1CNC(=S)N1CC1CCN(CC2CCC(C(C)(C)C)CC2)CC1 61936120 UUINSVKPYIYBAE-VTLFHKLASA-N 407.712 5.156 0 3 HKAF CCCCCCSc1cccc(-c2nc3ccccn3c2NCc2ccccc2)c1 61959729 PDZUWKMJOKLFFI-UHFFFAOYSA-N 415.606 7.286 0 3 HKAF Cc1ccc2nc(-c3ccc(Cl)cc3)c(Cc3ccccc3C(F)(F)F)n2c1 95568120 ADTGKQXMLLKMRJ-UHFFFAOYSA-N 400.831 6.573 0 3 HKAF Cc1ccc(Cc2c(-c3ccc(Br)cc3)nc3ccc(Cl)cn23)cc1 95570600 UOTGGWHXJRZCEJ-UHFFFAOYSA-N 411.730 6.316 0 3 HKAF CC(C)CCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cccc2ccccc12 2480283 OHSPQLFEGCIZKW-UHFFFAOYSA-N 402.469 6.077 0 1 HKAF CCCCCCSc1nc(-c2ccc(Cl)cc2)nn1C(=O)N1CCCCC1 13533134 CHOFSZFLPKTBRW-UHFFFAOYSA-N 406.983 5.725 0 1 HKAF C1=C(c2ccccc2)[C@@H](c2ccccc2OCCN2CCCCC2)Oc2ccccc21 26960558 NNPKCCODSGDVPR-MUUNZHRXSA-N 411.545 6.226 0 1 HKAF CC(C)C[C@@H]1CN2C(=NC[C@H]2C2CCCCC2)N1[C@@H](C)C12CC3CC(CC(C3)C1)C2 27210395 MAZRBQBUKHKABG-HHYWAEIXSA-N 411.678 5.942 0 1 HKAF CNc1cc(Oc2ccc3c(C(=O)Nc4ccc(Cl)cc4)cccc3c2)ccn1 29135032 SXZVWFITJZXSHV-UHFFFAOYSA-N 403.869 5.975 0 1 HKAF CCCCN(Cc1ccccn1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 34946593 ZFAPBUWDFPNGAU-UHFFFAOYSA-N 406.370 5.201 0 1 HKAF CCCCCN(C)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12 40861848 HMGZQGSHXOFHQE-UHFFFAOYSA-N 417.336 5.973 0 1 HKAF COc1cc(-c2ccc3c(c2)Nc2ccc(C)cc2NC3=O)ccc1-c1nc(C)no1 43120087 PRTWEUWSAHVLBE-UHFFFAOYSA-N 412.449 5.338 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 45303260 LDBKBEVWUZOTME-XQLFKHJGSA-N 401.635 5.572 0 1 HKAF O=C(O)CCC/C=C/c1ccc(C(=C2C3CCCC2CCC3)c2ccc(O)cc2)cc1 49112098 KOZHTGRZSQLAHW-KVDPPLTDSA-N 416.561 7.062 0 1 HKAF O=C1C(C2=Nc3ccccc3N[C@@H](c3ccc([N+](=O)[O-])cc3)C2)=C(O)c2ccccc21 68583026 VQCQWZKWGQUPIL-HXUWFJFHSA-N 411.417 5.390 0 1 HKAF biogenic CCCN(CCC)c1cc(N(CC)c2ccc(OC)cc2Cl)nc2ccnn12 72114838 MLIOXGQBPYIGQL-UHFFFAOYSA-N 401.942 5.176 0 1 HKAF Cc1ccc(-n2c(-c3ccccc3)c(-c3ccccc3)c3c2ncn2c(C)nnc32)cc1 73140237 VVQRGSFHUGNBFH-UHFFFAOYSA-N 415.500 6.019 0 1 HKAF CNc1nc2cnc(Nc3ccc(Oc4ccccc4)cc3)cc2n1Cc1ccccc1 82081915 TWSMFHOLHSEPEG-UHFFFAOYSA-N 421.504 6.057 0 1 HKAF Clc1cccc(Nc2ncnc3ccc(NCc4ccc5c(c4)OCCO5)cc23)c1 84688646 DSVCZCZPPGAJJN-UHFFFAOYSA-N 418.884 5.410 0 1 HKAF CC1=C(CCC2=C(C)CC[C@@H]3C(C)(C)CCC[C@]23C)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 86031305 ZZGUCDDZQIFCSE-QUKNIHFLSA-N 410.730 9.652 0 1 HKAF biogenic,in-vitro CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@@H](CCCC4(C)C)[C@]3(C)CC[C@]12C 96094990 ZYZJWAJOTPNVPI-QJMYWHNVSA-N 414.762 9.524 0 1 HKAF in-vitro Brc1ccc2cc(CCc3cc4ccc(Br)cc4[nH]3)[nH]c2c1 103259908 FNJQIFAKAMYMOF-UHFFFAOYSA-N 418.132 5.959 0 1 HKAF COc1cccc2ccc(COc3ccc(-c4nn(C)cc4-c4ccncc4)cc3)nc12 137533695 ARNYNONKOHEEHV-UHFFFAOYSA-N 422.488 5.285 0 1 HKAF COc1cccc2c1CCC[C@@H]2Nc1cc(-c2ccc3ncsc3c2)nc(C)n1 142005319 CQGQUVJJJIQFER-SFHVURJKSA-N 402.523 5.560 0 1 HKAF Oc1cc(O)c2c(c1)CCC/C=C\CCCCCCCCCc1cc(O)c-2c(O)c1 238738503 FVFRWPLEBQLVDY-VURMDHGXSA-N 410.554 6.732 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257562755 VETZNBAGZJYCQT-LIDUPCDZSA-N 414.674 7.102 0 1 HKAF endogenous,in-man O=C1N(c2ccc(O)cc2)[C@@H](c2ccc(O)cc2)C1(c1ccccc1)c1ccccc1 299828715 SITHONSGWKZBPC-VWLOTQADSA-N 407.469 5.172 0 1 HKAF COc1cccc(CN(C)Cc2cccc(COc3ccc4ccc(=O)oc4c3)c2)c1 473129495 HHNWKQJPDRAGCK-UHFFFAOYSA-N 415.489 5.013 0 1 HKAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccnc(Cl)c4[nH]3)c(=O)oc2c1C 586918283 NQLXCKSDWDSBCM-UHFFFAOYSA-N 423.900 5.270 0 1 HKAF O=C1c2ccccc2-c2c(Cc3c(Cl)cccc3Cl)cnc3ccc(O)c1c23 586985918 MGUYMFFLLISHFO-UHFFFAOYSA-N 406.268 6.049 0 1 HKAF Cn1cc(/C=C/c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c2ccccc21 586987035 JGMFEFPZBIYNRT-ZHACJKMWSA-N 402.453 5.814 0 1 HKAF Cc1ccc2c3c(cc(-c4cccc(Br)c4O)nc13)-c1ccccc1C2=O 586994104 ULUCPSBXVBVCSK-UHFFFAOYSA-N 416.274 5.890 0 1 HKAF Cc1ccc2c3c(cc(-c4nc(Br)ccc4F)nc13)-c1ccccc1C2=O 586995015 HKGDUGOCINLPCP-UHFFFAOYSA-N 419.253 5.718 0 1 HKAF Cc1nc(-c2ccccc2)sc1Cc1nc2cccc(OCc3ccccc3)c2[nH]1 587011181 IHFUSQPFGZPNHD-UHFFFAOYSA-N 411.530 6.165 0 1 HKAF COC(=O)c1cccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c12 587015415 OVDUAIWFSPKAJS-UHFFFAOYSA-N 404.278 5.447 0 1 HKAF COc1nccc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c12 587038664 PYYHDQZZWISGFV-UHFFFAOYSA-N 419.535 5.239 0 1 HKAF FC(F)(F)Oc1cccc(CSCc2nc3cc4c(cc3[nH]2)OCCCO4)c1 587124478 YMHKZRLYMZKOOD-UHFFFAOYSA-N 410.417 5.056 0 1 HKAF CC(C)(C)c1ccc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2c1 587138712 RKMRRLPLVKFVSI-UHFFFAOYSA-N 406.432 6.171 0 1 HKAF Cc1c(-c2nc3cc(F)cc(Br)c3[nH]2)cc(-c2ccc(F)cc2)n1C 587165745 BRHPAWLULBDOIG-UHFFFAOYSA-N 402.242 5.585 0 1 HKAF C[C@@]1(c2cccc(OC(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327187 FNGPYZQHLSKNRE-OFNKIYASSA-N 414.379 5.407 0 1 HKAF COc1cccc(-c2cc(CCCCCCC(=O)O)nc3c2oc2ccccc23)c1 587365752 ITKSCSYWCISIOH-UHFFFAOYSA-N 403.478 6.234 0 1 HKAF COc1cccc(-c2cc(-c3c(O)ccc4ccccc34)nc3c2oc2ccccc23)c1 587367392 WOVORXSIFNLYKP-UHFFFAOYSA-N 417.464 7.182 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCC)(c1cc(Br)ccc1F)CC2=O 587465145 BFKQLVOTBSYSTH-OAQYLSRUSA-N 421.306 5.907 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1cccc(F)c1)(c1cccc(F)c1)CC2=O 587465832 HHYGFVKSSWACTN-VWLOTQADSA-N 408.444 5.726 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)cc1OCc1ccccc1)CC2=O 587477738 GHGLYJXORVCBTB-VWLOTQADSA-N 418.489 5.639 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCN3CCC[C@@H](C)C3)cc1)CC2=O 587481087 XTEBFJXWYHYWTI-IQGLISFBSA-N 423.553 5.162 0 1 HKAF COc1ccc([C@@]2(c3cccc(Cl)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497565 BRIAHHDXUNZEJH-AREMUKBSSA-N 418.920 6.136 0 1 HKAF O=C1C[C@]2(CCc3c(F)cc(Br)cc32)Oc2c1ccc1c2CCCC1 587505360 IIKVYAXDPZSWQP-NRFANRHFSA-N 401.275 5.274 0 1 HKAF Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587524647 LENYKORVDDEDTF-SANMLTNESA-N 421.540 7.037 0 1 HKAF Cc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538188 CWDSKEXOIQRQFI-NQIIRXRSSA-N 411.251 5.166 0 1 HKAF C[C@@]1(c2ccc(SC(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557521 SKDOKOKVXKZQFY-GCJKJVERSA-N 414.429 5.584 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(COc4cc(C)cc(C)c4)[nH]c3c2)cc1 587563938 CSDIGPFUMQLJBH-UHFFFAOYSA-N 402.450 5.338 0 1 HKAF CCc1ccc(CC(C)(C)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587603677 QURAVHPFEKRSIU-RDGATRHJSA-N 402.490 5.554 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1CC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604207 VGJJWHKYWMDNIU-BORKOYIJSA-N 406.522 6.275 0 1 HKAF Cc1cc2cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)oc2cc1C 587619419 XSBRRHLBDSOWLK-RCZVLFRGSA-N 400.430 5.632 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3Cl)c(C(=O)C(F)(F)F)c2c1 587640243 GNSTYPMMFPQORY-SNVBAGLBSA-N 414.254 7.400 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccc(Cl)c(Cl)c3)c2c1 587640678 IFXURHFLAMGTFG-NSHDSACASA-N 404.293 6.006 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2cc(Cl)ccc2Cl)N1 587695821 SFFYWBXXTYKOBL-YPMLDQLKSA-N 417.149 5.887 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=Cc3cc(Cl)ccc3OC2)N1 587698263 NOEQKBIMJGFVRM-GIGQVBGESA-N 408.698 5.293 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccccc3)[nH]c2Cl)N1 587698608 PCJSVXZRHTXDPH-HWPZZCPQSA-N 420.713 5.255 0 1 HKAF Cc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587710850 UOOSIOYCMSGZCC-GTNSWQLSSA-N 402.229 5.237 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)c(Cl)cc2F)N1 587714409 FMEUNVRNJRVCHC-CQLKUDPESA-N 421.112 5.832 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(C(F)(F)F)c2F)N1 587715952 YYENGEBRUZMMED-VVVCHXIZSA-N 420.219 5.544 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(Cc3ccccc3)C(C)(C)C2)N1 587762963 VWZDTFDEJDYHLG-QRQCRPRQSA-N 417.366 5.002 0 1 HKAF CCOc1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)ccc1C 587777806 DTCJRTVETJMNQJ-UHFFFAOYSA-N 410.109 5.462 0 1 HKAF CC(C)COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587789897 DDLXAUDNTMSSBW-SZNDQCEHSA-N 406.339 5.421 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)sc1Br 587841447 BMEIGZYPHNPKBM-XLKFXECMSA-N 419.157 5.344 0 1 HKAF CCCOc1cc2nc(C3(c4ccc(C)c(OC)c4)CC3)[nH]c2cc1Br 587925006 IMIAWCUTWXWKQF-UHFFFAOYSA-N 415.331 5.511 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2coc3cc(Br)ccc3c2=O)N1 962947921 CTGRWQRTOVKBBO-YEJXKQKISA-N 423.310 5.051 0 1 HKAF Cc1c([C@@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)oc2ccccc12 963184074 PUEFALQIUBYYEV-NVXWUHKLSA-N 409.791 5.102 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1ccc(C)nc1)c1cc(OC)ccc1OC 963241192 MIOBXTPFMXSYTJ-DCFHFQCYSA-N 416.565 5.356 0 1 HKAF CC(C)c1ccc(-c2cc(CN3CC[Si](C)(C)CC3)nn2C2CCCCC2)cc1 1857545013 NRNAVAWDIFEDCC-UHFFFAOYSA-N 409.694 6.703 0 1 HKAF Cc1cccc(Cl)c1NC(=O)[C@@]1(C)C[C@H]2c3ccccc3[C@H]1c1cc(Cl)ccc12 1857549338 NSZAGJSYVKKYOE-XTJBDQBJSA-N 422.355 6.928 0 1 HKAF CNCCN(C)C(=O)[C@H](C)C1=C(C)/C(=C/c2ccc(SC)cc2)c2ccc(F)cc21 1857750949 DXXSYXLZYAXYEB-VVRYKASASA-N 424.585 5.189 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)[C@@H](CO)[C@H]1CC3 2356315811 UPEGTKGKNWDIAN-QOSLDGIASA-N 416.690 6.751 0 1 HKAF CC=C(C)C(=O)OCC1=CCC[C@H]2[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@]12C(=O)O 2356374719 CZUZNUPRGZSCJO-LGHCQICFSA-N 414.542 5.565 0 1 HKAF C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5CC(O)=CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@@H](C)CN2 2356592583 CUAMUAVAAWICIQ-GPEBTXFLSA-N 413.646 6.058 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4[C@H](C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C 2356598733 ZGEARXVVLFISLP-FOKGXVSXSA-N 424.713 7.967 0 1 HKAF CC(C)CCC[C@@](C)(O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356602805 MGGGWBGPYZQTFY-KULHQBROSA-N 402.663 6.792 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356755309 ZMYBKDLUDWAJSA-MPROXOGASA-N 400.691 8.067 0 1 HKAF COc1ccccc1Nc1nc(-c2sc(NC(=O)C(C)(C)C)nc2C)cs1 8579133 APELATXVYUQGPA-UHFFFAOYSA-N 402.545 5.312 0 3 HKAF O=c1c(-c2ccccc2C(F)(F)F)cccn1[C@@H](CN1CCCC1)c1ccccc1 13436623 RCQYYHSZIQSZQA-QFIPXVFZSA-N 412.455 5.219 0 1 HKAF CCC(CC)N1CCc2cn(-c3ccc(OC(F)(F)F)cc3C)c3nc(C)cc1c23 13645773 BFFQAWDYQOJUFZ-UHFFFAOYSA-N 417.475 6.092 0 1 HKAF CCCCOC(=O)Nc1ccc2c(C)c(C)n(Cc3ccc(C(=O)O)cc3OC)c2c1 13650697 NLVYWOAHFSBESF-UHFFFAOYSA-N 424.497 5.362 0 1 HKAF COc1cc([C@@H]2OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]32)ccc1O/C=C\C(C)C 14658112 NXUQPWMHPDPMCA-MPVNAUTKSA-N 424.493 5.048 0 1 HKAF endogenous,in-man O=C(Cn1c(=O)n(Cc2ccccc2)c2ccccc21)c1ccc(Cl)cc1Cl 26727559 NWOGXIAEVUBYDQ-UHFFFAOYSA-N 411.288 5.041 0 1 HKAF C[C@@H]1C(=O)c2c([nH]c3ccc(Cl)cc3c2=O)C[C@@H]1c1ccc(C(F)(F)F)cc1 27098973 HSCRNHUFGOUESH-HZMBPMFUSA-N 405.803 5.359 0 1 HKAF Clc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3cccs3)C2)cc1 28061667 FCXONIMMFQRRES-FQEVSTJZSA-N 421.978 6.881 0 1 HKAF Cc1ccc(CNc2ncnc3nc(-c4ccccc4)c(-c4ccccc4)nc23)cc1 28351615 NMGWNMSJBMHWAH-UHFFFAOYSA-N 403.489 5.674 0 1 HKAF O=C(N[C@H](Cc1ccc(O)cc1)c1ccc(O)cc1)C(c1ccccc1)c1ccccc1 29347645 WUIXYONDHDCUGV-AREMUKBSSA-N 423.512 5.330 0 1 HKAF c1ccc(C2CCN(CCCN3CCC(c4c[nH]c5ccccc45)CC3)CC2)cc1 33987994 ISYLIFCBVIUBEZ-UHFFFAOYSA-N 401.598 5.617 0 1 HKAF Cn1c(-c2ccc(-c3nccs3)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1 40954219 UVSPAWUXRFWMOR-UHFFFAOYSA-N 406.942 5.729 0 1 HKAF Cc1cc(NC[C@@H]2CCN(CC3CCCCC3)C2)nc(Nc2ccc(Cl)cc2)n1 45188042 KXVXOJOAPADAIC-IBGZPJMESA-N 413.997 5.496 0 1 HKAF C[C@H]1CN(c2ccc3[nH]cc(Sc4ccc(-c5cccs5)cc4)c3c2)C[C@H](C)N1 45193957 JDIDICHNFFPIEN-IRXDYDNUSA-N 419.619 6.234 0 1 HKAF Cc1cc(C)c(-n2c(Cl)cn3c(CN4CC=CCC4)c(C(F)(F)F)nc23)c(C)c1 49054352 JYGPHWAYXDNJJM-UHFFFAOYSA-N 422.882 5.484 0 1 HKAF C1=Cc2[nH]c3cc(OCc4ccc(-c5ccccc5-c5nnn[nH]5)cc4)ccc3c2CC1 70718895 BOOIHNNGJZJQLE-UHFFFAOYSA-N 419.488 5.553 0 1 HKAF Fc1cccc(-c2nc(Nc3ccc(Br)cc3)c3cc(F)ccc3n2)c1 72114611 TZFJMBPXUZRAGP-UHFFFAOYSA-N 412.237 6.081 0 1 HKAF CCOC(=O)c1c(-c2ccc(-c3ccc(Cl)cc3)cc2)[nH]c2ccccc2c1=O 84668820 JBBMMDMPUDIORJ-UHFFFAOYSA-N 403.865 5.692 0 1 HKAF Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)C[C@@H]1C=CC(C(F)(F)F)=C[C@@H]1C2 84711892 JBCFQFUXKQFWTL-NWDGAFQWSA-N 409.860 5.604 0 1 HKAF C[C@H]1CC=C[C@@]2(CCC[C@H]3[C@H](Cc4cc(O)cc(Cc5ccccc5)c4)CCC[C@H]32)C1 85543585 AFAPWEJYWCQFHU-RHUOLTODSA-N 414.633 7.714 0 1 HKAF biogenic,in-vitro O[C@@](Cn1ccnc1)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccncc2)cc1 100037441 CWYVPGBOCLRTFU-NDEPHWFRSA-N 417.512 5.548 0 1 HKAF CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(N(C)C)cc2)C2=C(O)CC(C)(C)CC2=N1 103993205 TTWLVZBXTKIHHU-QHCPKHFHSA-N 422.569 5.683 0 1 HKAF COC(=O)CCC/C=C\C[C@H]1C(=O)CC[C@@H]1c1ccc([C@@H](O)C2CCCCC2)cc1 117778583 JBOFLWFXLZLMCS-DJCFNOHKSA-N 412.570 5.653 0 1 HKAF CC(=O)[C@@]1(O[C@@H]2CCCCO2)CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 142164264 QQVAXFGGMRCACY-JIGJNNBISA-N 416.602 5.469 0 1 HKAF C[C@@H](COc1ccc2sc3ccc(OC[C@H](C)CN(C)C)cc3c2c1)CN(C)C 169329230 BWDRDNWSMDGTGE-QZTJIDSGSA-N 414.615 5.208 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253791974 UKRMXWMCDFUMQY-JMBRGTPESA-N 412.702 8.233 0 1 HKAF Oc1ccc(CN2CCC(NCCCCCCn3ccc4ccccc43)CC2)cc1 299855220 ARYOIHAPPNVHGP-UHFFFAOYSA-N 405.586 5.162 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(/C=C/c4ccccc4C(=O)O)[nH]c3c2)cc1 586881612 XSHYRPDDQCOWGG-MDWZMJQESA-N 414.417 5.010 0 1 HKAF c1ccc(C(SCCc2nc3ncc[nH]c-3n2)(c2ccccc2)c2ccccc2)cc1 586971516 YNBSVABXXKQOQL-UHFFFAOYSA-N 422.557 5.572 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(Br)cc3)nc3ccc(O)c1c23 586983948 DOTFKEOATPJNTH-UHFFFAOYSA-N 402.247 5.581 0 1 HKAF Cc1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Cl 586986448 XQZVQPIZRQNQDB-SFHVURJKSA-N 404.739 5.472 0 1 HKAF CCc1ccc(-c2nc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)cs2)cc1 587015557 PNTKDJYJLJHOPB-UHFFFAOYSA-N 412.356 6.295 0 1 HKAF c1ccc(Oc2ccc3nc(Cn4c(-c5cscn5)nc5ccccc54)[nH]c3c2)cc1 587030123 YLCOIGFSUSLUAO-UHFFFAOYSA-N 423.501 5.877 0 1 HKAF Fc1cnc(Br)c2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc12 587063376 UKKZTWHNPHHLMS-UHFFFAOYSA-N 416.681 5.771 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc(-c5ncccc5Cl)[nH]c4c3)o2)cc1 587064748 FLAFJZABPRAHKI-UHFFFAOYSA-N 403.829 5.004 0 1 HKAF Fc1cc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2cc1Br 587083576 ZKCYJWNIQRYHJX-UHFFFAOYSA-N 411.061 5.987 0 1 HKAF CCCCOc1cc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2cc1Br 587090040 KVSDFDXYYZXOPG-LBPRGKRZSA-N 403.601 5.428 0 1 HKAF CCOC(=O)c1c(N)oc(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096559 CXCWNRBWYTZQIZ-UHFFFAOYSA-N 412.445 5.082 0 1 HKAF Cc1ccc(Br)c2c1-c1nc3cccc4c3c(c1C2)-c1ccccc1C4=O 587101667 JGOWBXDZZHDMAU-UHFFFAOYSA-N 412.286 6.088 0 1 HKAF FC(F)(F)Oc1cccc(CSCc2nc3cncc(Br)c3[nH]2)c1 587123032 GFHDWHQVCMOAGB-UHFFFAOYSA-N 418.238 5.052 0 1 HKAF CCCCCOc1cc2nc(-c3cc(F)c(N)c(F)c3)[nH]c2cc1Br 587135257 XPKXGNINUXACHD-UHFFFAOYSA-N 410.262 5.422 0 1 HKAF CCOC1CCN(C(=O)Nc2cccc(-c3cc4c5c(cccc5n3)CC4)c2)CC1 587211566 GUVREHHAUXCIOH-UHFFFAOYSA-N 401.510 5.033 0 1 HKAF COc1cc(Cl)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587330649 OPEIRIKVYABISU-GMAHTHKFSA-N 412.844 5.468 0 1 HKAF C[C@]1([C@@H]2C[C@@H]2c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331353 PJQFBRIIGAAJIV-GCBRTHAASA-N 422.883 6.106 0 1 HKAF O=C1c2ccc(O)cc2O[C@](/C=C2\CCCO2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 587358845 QOEUNYQNWGIGHO-DUPVDZBCSA-N 416.448 5.480 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(Cl)cc3)nc3ccccn13)O2 587380228 RALFCYVKHFQXIL-LJQANCHMSA-N 403.869 5.252 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)O2 587381995 MCRZGMJYQHDVGI-QGZVFWFLSA-N 403.322 5.495 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)c(C(=O)c3ccccc3)n3ccccc13)O2 587394475 VYKHSZJKKYIFJJ-QFIPXVFZSA-N 410.473 5.076 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc(Nc3ccc(Cl)cn3)nc1C)O2 587411123 AZKCBKZMZAOHQR-FQEVSTJZSA-N 414.918 5.015 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4Br)cc1)[C@@H](C2)C3=O 587413348 MYYFXBZPBTXFQF-FDDCHVKYSA-N 421.290 5.613 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(Br)c(C)c1)CC2=O 587455809 GMLVFMJVYPULIF-NRFANRHFSA-N 403.316 5.686 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)c(Cl)nc1C)CC2=O 587456868 CBDLSEYQJXHAGO-IBGZPJMESA-N 424.722 5.345 0 1 HKAF COc1cc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1OC 587500297 ZYWBMCFJHGZAMX-MRXNPFEDSA-N 407.293 5.596 0 1 HKAF O=C1C[C@H](c2cccn2-c2cccc(Br)c2)Oc2c1ccc1c2CCCC1 587505878 WDQQDPKLTANZEH-JOCHJYFZSA-N 422.322 5.825 0 1 HKAF CN(c1ccccc1)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587569561 GRSFSDFENIORDW-JYFHCDHNSA-N 424.456 5.258 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC2CCCC2)cc1 587600218 NBCABYRKJPCXQA-RDGATRHJSA-N 402.446 5.417 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3ccc(Br)cc3)c2c1 587640937 HBCBOMIOIFWGAC-NSHDSACASA-N 406.270 6.613 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2Br)N1 587679634 RHIDMXUPGIEBFJ-BTDLBPIBSA-N 413.128 5.148 0 1 HKAF Cc1cc(Cl)cc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)nc12 587699041 PCJBQVWLBKEANW-PRWKNARSSA-N 419.725 5.722 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(C(F)(F)F)N1 587707028 SDZHILHGDFJSND-KPZWWZAWSA-N 416.256 5.513 0 1 HKAF CC(=O)C[C@@]1(c2c(C)cc(C)cc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587809992 BSJZANDQIRCVRO-OYHNWAKOSA-N 418.350 5.270 0 1 HKAF COc1ccccc1C[C@@H]1CCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587811059 UUYLCXZPTHJZOI-ICSGCJEQSA-N 418.350 5.369 0 1 HKAF CCCc1ccc([C@]2(C(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587814613 UZAIWJWSLAJVSD-NYHFZMIOSA-N 404.367 5.975 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccccc3)o2)N1 587828133 MLYIHWQOOLWCDH-MPBGBICISA-N 402.263 5.597 0 1 HKAF COc1cccc2cc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)oc12 587831787 YHTIGJDXQCRGNP-YBTHPKLGSA-N 404.279 5.141 0 1 HKAF CC1=CSc2ccc(Cl)cc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587854344 DJOBBDPIQVNBFY-NSPYISDASA-N 424.766 6.029 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cccc(C(F)(F)F)c1 587856718 XWIIIKZGYXNKCI-UHFFFAOYSA-N 401.215 6.264 0 1 HKAF COC(=O)c1ccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2c1OC 587957804 VOZMGXMJWYJNDN-UHFFFAOYSA-N 418.534 5.276 0 1 HKAF Cc1cc2c(cc1F)[C@@](c1ccccc1Cl)([C@H]1CC[C@H](C(=O)O)CC1)NCC2 962093119 PDHMCUAYOCWVIY-YGJVYZRNSA-N 401.909 5.068 0 1 HKAF CSc1ccc([C@]2(CCCCC(=O)O)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963087639 DHRCVTBKIIVBDM-YADARESESA-N 413.558 5.457 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cc2ccc(Br)cc2s1 963233281 SYJSQTSZKHRKOK-LHSJRXKWSA-N 400.385 6.410 0 1 HKAF CCCCCC1=C(C)CC[C@@]12NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963817139 JWSNARBSFICVQU-MUUNZHRXSA-N 414.593 6.779 0 1 HKAF Cc1cccc2c1[C@H](c1ccccc1C(C)C)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963863124 OUCKGQZGBNPUPR-DVECYGJZSA-N 423.553 5.844 0 1 HKAF COc1ccc(C(C)C)cc1-c1cc(F)cc([C@H](CC(=O)O)c2ncc(C)s2)c1 1772582983 VHAYMOCNJJZVNU-FQEVSTJZSA-N 413.514 5.996 0 1 HKAF O=S(=O)(Cc1ccccc1)Nc1ccccc1-c1cccc2c1[nH]c1ccccc12 1857652430 DVILQGXRNWENHS-UHFFFAOYSA-N 412.514 5.930 0 1 HKAF C[C@@]12CCC[C@H]1[C@@H]1CC=C3C[C@@H](OC(=O)CCCCCC(=O)O)CC[C@]3(C)[C@H]1CC2 1857653740 BBSMGIZOGHOUNW-BNCSLUSBSA-N 416.602 6.286 0 1 HKAF CC[C@]12CCCN3CC[C@]4(c5ccc(OC)c(O)c5N(c5ccccc5)[C@@H]4CC1)[C@H]32 2356329662 JTXSASOKPOYSFV-ATPOPXNDSA-N 404.554 5.217 0 1 HKAF CC[C@H](C)C(=O)[C@@H]1C(=O)[C@H](CC=C(C)C)C[C@@H](CC=C(C)C)[C@]1(C)CCC=C(C)C 2356397469 NLRBATXBDYLZDD-WFNNXJLASA-N 414.674 7.888 0 1 HKAF C[C@H](CC(=O)O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 2356446550 MOYFRUOSASPJJM-UPLOLBBTSA-N 400.603 6.272 0 1 HKAF CC(C)=CCCC(C)=CCc1c(-c2ccc(O)cc2O)oc2cc(O)ccc2c1=O 2356482860 VEQHJLTWOODSMA-UHFFFAOYSA-N 406.478 5.812 0 1 HKAF CC(C)CC(=O)C[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@H]1[C@@H](O)C3 2356487246 UOJBXGHJDKOZGJ-VWWICIHZSA-N 416.646 5.683 0 1 HKAF CC1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@]3(C)C(C)(C)CCC[C@@]43C)[C@@H]2[C@H]1C 2356518849 DZINXMCMPUDAJI-XJGYEKJSSA-N 424.757 9.444 0 1 HKAF C[C@]1(CCCCCCCCCCCCc2ccc(O)cc2)C[C@]2(C)OC(=O)C[C@H]2O1 2356733156 AVPPXTVRSKQLNJ-AFESJLNVSA-N 416.602 6.479 0 1 HKAF COc1cc(Cc2c(C)cc(OC)c3[nH]c4ccccc4c23)cc2c1[nH]c1ccccc12 1634357 DOOBXUMQHNVKJS-UHFFFAOYSA-N 420.512 6.872 0 1 HKAF biogenic O=S1C2=C(Cc3ccccc3)C(Cc3ccccc3)=C1CCc1cccc(c1)CC2 1659517 AVHBNWRRHBJQSI-UHFFFAOYSA-N 410.582 6.321 0 1 HKAF CN(C)C(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 4081349 KUUHUZDQCPLTOJ-JTHBVZDNSA-N 404.897 5.187 0 1 HKAF CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@@H]1c1cccc2ccccc12 4153213 GRAUDNBJSQKLRC-ILBGXUMGSA-N 416.521 5.247 0 1 HKAF CC(C)O[P@@](=O)(c1ccccc1)N1CCCC(c2ccc(Cl)c(Cl)c2)=N1 13557146 QYMCXDGSTLOWQC-SANMLTNESA-N 411.269 5.737 0 1 HKAF CC(=O)CCCCCCCCCCCCC[C@H](O)CCCCCCCCCC(C)C 14490271 CTAVBJVWNWUPBV-NDEPHWFRSA-N 424.754 9.175 0 1 HKAF biogenic COc1ccc(Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)cc1 27996432 XYMSFXXPWXFMIO-UHFFFAOYSA-N 402.450 5.797 0 1 HKAF COc1cc(Nc2cncc(Oc3ccc4ccccc4c3)n2)cc(OC)c1OC 42888660 JXIUOUKKRBMRQH-UHFFFAOYSA-N 403.438 5.192 0 1 HKAF CC(C)NC[C@@H]1C[C@@]1(C(=O)N(C)Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 66078881 MYIVAEGUZOXGEH-HTAPYJJXSA-N 423.359 5.047 0 1 HKAF Cc1ccc([C@@H](c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(O)ccc3ccccc23)cc1 72118253 IRXRZSTWTGABCP-SANMLTNESA-N 420.512 5.821 0 1 HKAF Brc1ccccc1-c1nc(CNc2ccc(Oc3ccccc3)cc2)co1 72183928 YJIJDVXPUFHVMT-UHFFFAOYSA-N 421.294 6.509 0 1 HKAF CCOP(=O)(OCC)[C@@H](Nc1nccs1)c1ccc(-c2ccncc2)cc1 73199041 RBRUHIVEDMFGNY-GOSISDBHSA-N 403.444 5.582 0 1 HKAF Cc1cc(C)c(-n2c(SCC(=O)Nc3ccccc3)nc3cnccc32)c(C)c1 84687384 PCDIXYJLKWRQSI-UHFFFAOYSA-N 402.523 5.077 0 1 HKAF COc1ccc(C2=NO[C@H](c3c(C)nn(-c4ccccc4)c3-c3ccccc3)C2)cc1 103219484 YRUWGFHMOAEHCB-DEOSSOPVSA-N 409.489 5.722 0 1 HKAF CC1(C)C=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@]2(C)CC1 136563201 YVBDKBSSVHMQTJ-AHNCAJPUSA-N 424.713 8.377 0 1 HKAF CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)O)nc2)c(Oc2ccc(F)cc2)c1 143204296 SPIYZOKCMYZGIH-UHFFFAOYSA-N 408.429 5.261 0 1 HKAF CCNC[C@@H](O)COc1c(C(C)(C)C)cc(/C=C/c2ccccc2)cc1C(C)(C)C 169315711 LIDCPLTXTWAKKA-JXVRESAISA-N 409.614 5.801 0 1 HKAF CCN(CC)C(=S)S[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)cc1 169345010 YNQWJYDNFRZPCJ-OALUTQOASA-N 405.972 5.385 0 1 HKAF COc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(OC(C)C)cc1 169696769 KUSZBSACZKSBEU-QFIPXVFZSA-N 419.525 5.253 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=C[C@@H]3O 238735449 QZTNWQQTEVRSMC-INAFIHMESA-N 416.690 6.606 0 1 HKAF CCC(=O)[C@@H]([C@@H](O)CCCCCC(=O)OC)[C@H](C)/C=C/CCSc1ccccc1 254134349 NLKNRIQOWCDPRF-UJYVMJSBSA-N 420.615 5.441 0 1 HKAF CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255219944 IOWMKBFJCNLRTC-NSYUWUGISA-N 402.663 6.360 0 1 HKAF CC(C)C[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255225043 KYFQWFLHOZFGNN-GZMOTIRBSA-N 410.686 7.721 0 1 HKAF O=c1oc2ccccc2cc1-c1csc(NC(=S)Nc2ccc(Cl)cc2)n1 261099413 GAHALFAIGQXYEA-UHFFFAOYSA-N 413.911 5.379 0 1 HKAF Cc1ccsc1C(=CCCN(C)[C@@H]1CCCC[C@H]1C(=O)O)c1sccc1C 299870718 WVEAQTILSGURKS-IEBWSBKVSA-N 403.613 5.823 0 1 HKAF Oc1ccc(C2(c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)CC2)cc1 586896529 SVLHNHBJLYHQBV-UHFFFAOYSA-N 413.193 5.010 0 1 HKAF CCc1ccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1Br 586978272 YVDPXXCNCGUDJB-UHFFFAOYSA-N 420.179 5.604 0 1 HKAF O[C@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccccc1Cl 587059557 SERPTSOHTYHRGE-ZDUSSCGKSA-N 405.601 5.079 0 1 HKAF O=C(O)c1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2cc1F 587060293 KFFGVYHMUBJWDL-UHFFFAOYSA-N 417.827 5.936 0 1 HKAF FC(F)=C(C[C@H]1CCCN1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587088904 UORKQSHUEJYTLA-SSDOTTSWSA-N 410.184 5.094 0 1 HKAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2cc(Br)ncc2[nH]1 587127868 BEDOULPGSMTIIF-UHFFFAOYSA-N 407.243 5.449 0 1 HKAF O=C(c1nc2c(OCc3ccccc3)cccc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133462 QDILCHITMNBUQS-UHFFFAOYSA-N 415.251 5.819 0 1 HKAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 587159417 PBJJMTWXVDIJNL-UHFFFAOYSA-N 400.310 5.264 0 1 HKAF Fc1cc2[nH]c(-c3cc(I)ccc3Cl)nc2cc1Cl 587182842 OHXAAKVKETZCOP-UHFFFAOYSA-N 407.013 5.280 0 1 HKAF Cc1ccccc1[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350686 FBYMAGISUVHHKT-AOYPEHQESA-N 404.481 6.140 0 1 HKAF COc1cccc(-c2cc(/C=C/[C@H]3C(C)=CCCC3(C)C)nc3c2oc2ccccc23)c1 587365436 KTILDYINCXWWOI-MIFWMJNYSA-N 423.556 8.052 0 1 HKAF COc1cc2c3c(c1)O[C@]1(C[C@@H](c4ccc(F)cc4)Nc4ccccc41)[C@@H](C2)C3=O 587429508 VPFSKXNWPFQAOT-OWHZGTRUSA-N 401.437 5.034 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(Cl)c(OC)ccc3c1)CC2=O 587463828 YZGDILIRHUOHOF-XMMPIXPASA-N 410.897 6.041 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Oc1ccc(OC)cc1)CC2=O 587476097 DDFKZSBNGCKTRI-XMMPIXPASA-N 404.462 5.852 0 1 HKAF CCCOc1cc(Br)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587503372 NTCUVXJLLQPEQO-OAQYLSRUSA-N 415.327 5.823 0 1 HKAF CN(c1ccccc1)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587569556 GRSFSDFENIORDW-BVAGGSTKSA-N 424.456 5.258 0 1 HKAF Cc1cc(C)cc([C@]2(c3cccnc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587586954 MFBMXNKWWMGTRW-SQHAQQRYSA-N 423.468 5.309 0 1 HKAF CCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC 587599754 ZUEIBKYBCPSDSM-WIOPSUGQSA-N 420.461 5.283 0 1 HKAF CC(C)c1ccc2c(c1)[C@@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613781 YZFIZUAVUNZPHG-RCZVLFRGSA-N 402.446 5.155 0 1 HKAF Cc1nc2ccc(C(=O)O)cc2c(Cl)c1Cc1c(C)[nH]c2c(C)cc(Cl)cc12 587624070 DRAZDIJABHLSII-UHFFFAOYSA-N 413.304 6.237 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccc(Cl)cc3)on2)N1 587697762 MQKNIIDRYAWZDJ-APBUJDDRSA-N 421.697 5.520 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C(Cl)c3ccccc3CC2)N1 587706104 OSUIWRPMNVSNFC-YBTHPKLGSA-N 406.726 5.760 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(OCC3CC3)c2)N1 587719566 QDLCZMLCYWNVEX-GIPWTMENSA-N 408.286 5.140 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CSC(F)F)o2)N1 587719905 RPLPCBANERRKNV-VXJOIVPMSA-N 406.267 5.261 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ncccc3F)o2)N1 587726217 HPFWTYDCJSDRPU-GIGQVBGESA-N 405.242 5.006 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2Nc2ccccc2)N1 587749086 MVIQWIFDMZOYEW-OREJSRFESA-N 403.339 5.372 0 1 HKAF Cc1cccnc1[C@@H]1CCC[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587774514 VYJYAOVDFOYQGY-PXARDIRTSA-N 403.339 5.379 0 1 HKAF COc1cccc(OCc2ccc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cc2)c1 587781587 XIKXLUSDUFRTEC-UHFFFAOYSA-N 410.376 5.139 0 1 HKAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587781909 FRBLSHKKMCOFJL-UHFFFAOYSA-N 402.347 5.672 0 1 HKAF Brc1cncc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587785238 ZFOCGGXEFHUJAX-DHZHZOJOSA-N 406.283 5.470 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccccc3)c3ccccc32)N1 587817829 NKIVFXNCVPBEDC-YOQPTCTGSA-N 422.341 5.902 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCC(c3ccccc3)CC2)N1 587823879 SCWKSEAZRWJGOC-FLCDQQBUSA-N 402.351 6.138 0 1 HKAF COc1ccccc1-c1ccc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)cc1 587930167 DTFPECIPNXQMHA-UHFFFAOYSA-N 408.526 7.057 0 1 HKAF COc1cccc(C2(c3nc4c(Cl)c(Br)cnc4[nH]3)CCCC2)c1 587931389 OLFKQIHBVLXJCU-UHFFFAOYSA-N 406.711 5.243 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(C)nc2[nH]1 587958361 FLZSWGMTODAEAR-XKPMTSFDSA-N 417.641 8.121 0 1 HKAF Cc1ccc([C@]2(c3ccccc3CN3CCCC3)NCCc3cc(C)c(F)cc32)cc1 962375543 NXHOSQSMBQDZAD-MUUNZHRXSA-N 414.568 5.476 0 1 HKAF Fc1ccc([C@@]2(c3ccc(F)c(F)c3)NCCc3cc(-c4ccccc4)ccc32)cc1 962675503 ZTVOYBIDLRDGSQ-MHZLTWQESA-N 415.458 6.209 0 1 HKAF Fc1cccc2c1[C@@](c1ccccc1)(c1ccc(C3OCCO3)s1)N1CCC[C@@H]1C2 963100851 LAGXLLUVPRFDMQ-KBMIEXCESA-N 421.537 5.245 0 1 HKAF CCCc1ccc([C@]2(CCC3OCCCO3)c3ccccc3C[C@@H](C)N2CCC)cc1 963259071 RAJCWUJYGYIKPR-SKCUWOTOSA-N 421.625 6.083 0 1 HKAF C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)[nH]nc3c2)c1 1772645492 IYGXZGSRAHSLRJ-QYDSKGFYSA-N 421.500 5.559 0 1 HKAF COc1ccccc1NC(=O)c1c(N)cccc1Sc1ccc(C(F)(F)F)cc1 1857550513 BJUJTFBKYHVINL-UHFFFAOYSA-N 418.440 5.700 0 1 HKAF Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(-c2ccoc2)c1 1857595681 DFSWSCMOHSXENG-UHFFFAOYSA-N 421.491 5.461 0 1 HKAF O=C(N1CCC=C[C@H]1Cc1ccccc1)n1cc(-c2ccc(-c3ccccc3)cc2)nn1 1857770617 FKQUPBBZHZMZAO-VWLOTQADSA-N 420.516 5.453 0 1 HKAF Cc1cc(C)c(NC(=O)c2cc(-c3cc4ccccc4o3)nc3ccccc23)c(C)c1 1911574254 RLZSOGGXPDZQLP-UHFFFAOYSA-N 406.485 6.826 0 1 HKAF CC1(C)C=CC[C@]2(C)Oc3ccccc3C[C@@H]2CC[C@]2(C)Oc3ccccc3C[C@@H]2C1 2356422188 ISSPUSZYYOWQJE-YZUKIZEGSA-N 416.605 7.163 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@@]3(C)[C@@H]4CC=C5[C@@H](CCC(=O)C5(C)C)[C@@]4(C)CC[C@@H]3[C@H]2C1 2356481403 PAVVMAYETSJFLL-PDPKHNJVSA-N 410.686 7.987 0 1 HKAF CC(C)=C[C@H](C)CC=CCc1c(C)cc2c(c1O)C(=O)[C@H](c1ccc(O)cc1O)CO2 2356519493 DTOHKGTXVWEZIA-IERDGZPVSA-N 422.521 5.562 0 1 HKAF C[C@@H]1CC[C@]2(C)C=C[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@@H]1C 2356534429 ZSEJPSTXLLEUQU-LGKLFPHESA-N 424.713 7.801 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@@]4(C)C3=CC[C@]21C)C(C)C 2356640181 RBKDJWIIGGRRML-AZEQRCFLSA-N 408.670 7.641 0 1 HKAF CC(=CCN1[CH]N(C)c2ncnc(N)c21)CC[C@]1(C)[C@H](C)CC[C@]2(C)[C@@H](C)C=CC[C@@H]21 2356835783 AVKUYBSJNRGSEL-WECLNZLDSA-N 422.641 5.815 0 1 HKAF O=C(Nc1ccccc1)c1cc([C@@H]2CCCCN2C(=O)CCCc2ccccc2)on1 61905966 RIMUQFJPVUVSFE-QFIPXVFZSA-N 417.509 5.003 0 3 HKAF c1ccc2c(c1)CCN(CCCCCCCCCCN1CCc3ccccc3C1)C2 2000658 VJWBVWNQBLXWOM-UHFFFAOYSA-N 404.642 6.224 0 1 HKAF CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1c2ccccc2CC[C@H]1N1CCCC1 3780504 RDOAFKQFVDDSKQ-FYYLOGMGSA-N 417.380 5.146 0 1 HKAF FC(F)(F)c1ccccc1O[C@@H](CCN1CCc2ccccc2C1)c1ccccc1 13530616 DWWWVXHEZBGWOH-QHCPKHFHSA-N 411.467 6.274 0 1 HKAF CCOC(=O)c1cc2ccccc2n1Cc1cccc(-c2ccccc2CC(=O)O)c1 13652630 PUUQPGMIAYIDLT-UHFFFAOYSA-N 413.473 5.160 0 1 HKAF Cc1ccc2c(c1)[C@@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1CO2 13735191 YWSSYWJZXZVLJS-SANMLTNESA-N 413.561 6.905 0 1 HKAF C[C@H]1[C@@H]2[C@H](C[C@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CN2 15449112 KWVISVAMQJWJSZ-FSVJDJQTSA-N 413.646 5.287 0 1 HKAF CC(C)N(C(=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C)C(C)C 26385893 AEWWFKWBCCJQAS-UOQKLQBTSA-N 414.634 5.237 0 1 HKAF Cc1cccc(C)c1NC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 26954789 QAHXIOGYJOSPBU-AADTULPUSA-N 420.597 5.155 0 1 HKAF CO[C@@H]1OC(=O)C2=CC[C@@H]3[C@](C)([C@H](O)C[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]34C)[C@H]21 28969534 SZCOSHPHASAUBT-WCGKCGFQSA-N 416.602 5.098 0 1 HKAF Cc1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(C(F)(F)F)cc2c1C(=O)O 29330564 GCAWYZFSCFHJHM-UHFFFAOYSA-N 407.391 6.594 0 1 HKAF C[C@]1(C(=O)O)CCC[C@]2(C)c3cc(OCc4ccc5ccccc5c4)ccc3CC[C@@H]12 40408168 XUUMTBQJKFLNFX-KZQOYIJHSA-N 414.545 6.514 0 1 HKAF CCN(C[C@@H](C)O)C(=O)c1ccc(-c2ccc(-c3nc4c(C)cccc4[nH]3)cc2)cc1 45167053 HUGAWUYCWNVOLL-GOSISDBHSA-N 413.521 5.048 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4cccc(CNCc5ccccc5)c4)s3)nc12 45303067 JRQDHZJEPOUKBO-UHFFFAOYSA-N 409.558 6.557 0 1 HKAF Cc1nc2c(Cl)cccc2n1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1 45353048 LMLSWHPQUWFGHJ-UHFFFAOYSA-N 412.898 5.183 0 1 HKAF Clc1ccc(-c2nc(CNc3ccc(Oc4ccccc4)cc3)co2)c(Cl)c1 72101767 WIEAYFLORWPSQY-UHFFFAOYSA-N 411.288 7.053 0 1 HKAF CCOC(=O)c1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1N1CCCCC1 73273819 GCCHQEJERXICON-UHFFFAOYSA-N 420.940 6.236 0 1 HKAF CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCCC1CCCCC1 82070270 WZSLUMVRWDTTJH-HXUWFJFHSA-N 414.571 5.078 0 1 HKAF C[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3[C@]23CCN(CC2CC2)[C@H](C4)[C@@H]13 100799789 KVTPARWKGZYKAU-SKKRJGRDSA-N 412.533 5.019 0 1 HKAF c1ccc(CN[C@H]2CC[C@@H](c3ccc(OCCCN4CCCCC4)cc3)CC2)cc1 101437317 MYSZKGRXICYNIZ-YOCNBXQISA-N 406.614 5.757 0 1 HKAF Cc1c(-c2nnc(-c3ccccc3)o2)c(-c2ccc(Cl)cc2)nn1-c1ccccc1 103229683 CNHXMARDKAFPKZ-UHFFFAOYSA-N 412.880 6.218 0 1 HKAF O=S(=O)(c1cccc(F)c1)c1sc2ncccc2c1-c1ccc(Cl)cc1 138729370 RVLPVSLZOGDVCU-UHFFFAOYSA-N 403.887 5.589 0 1 HKAF CCOP(=O)(OCC)[C@@H](N(O[C@@H](C)c1ccncc1)C(C)(C)C)C(C)(C)C 169415637 HPBKDHJVTHGBGP-FUHWJXTLSA-N 400.500 5.813 0 1 HKAF COc1cc(OC)c2c(=O)c(-c3ccc(OC)c(OCc4ccccc4)c3)coc2c1 215976702 VNYBXAZEXRJNFZ-UHFFFAOYSA-N 418.445 5.065 0 1 HKAF O=C(c1ccccc1-c1cccs1)N1[C@H]2CC[C@@H]1[C@@H](COc1ccc(F)cn1)C2 226059855 JIEFEDOEWSOKJT-OXFYSEKESA-N 408.498 5.021 0 1 HKAF C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@@]21C)C(C)C 238760075 HIHARYSBUQWZCH-DUHDTFQESA-N 424.669 7.663 0 1 HKAF C/C=C(\C)c1cc(O)c(C)c2c1Oc1cc(O)c(Br)c(C)c1C(=O)O2 238771904 VGUULPBRQIBTRW-VMPITWQZSA-N 405.244 5.225 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2c1cnc(-c2ccccc2)[nH]1 261123407 JVUNQIZFNNFUQK-JNGDMFNZSA-N 416.609 6.484 0 1 HKAF C[C@@H]1CCc2c(c3c(O)cc([C@H](C)[C@H](C)CCc4ccc(F)cc4)cc3oc2=O)C1 299849561 LEEMUPFGEQLFDT-BRWVUGGUSA-N 408.513 6.135 0 1 HKAF Oc1ccc(NC2CCC3(CC2)OCC2(O3)C3CC4CC(C3)CC2C4)c2cccnc12 473117999 JRMZEMUIIGWBES-UHFFFAOYSA-N 420.553 5.233 0 1 HKAF O=S(=O)(Cc1ccccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccccc1 586921686 LCNBMGGFSDVUCS-UHFFFAOYSA-N 417.317 5.511 0 1 HKAF CSc1ccc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2c1 586984965 WVFBJWNIDBLXPD-HNNXBMFYSA-N 403.389 6.420 0 1 HKAF Cc1cc(C)c2c(N)c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)oc2n1 586987358 NOIHAHFAOKVZQV-UHFFFAOYSA-N 407.429 5.159 0 1 HKAF CC(C)Oc1cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2cc1Br 587023387 KENSGBMUGJOQKN-UHFFFAOYSA-N 414.328 5.903 0 1 HKAF Clc1cc(Cl)c2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc2c1 587029301 LWWXEVNQPKQMSC-UHFFFAOYSA-N 400.294 5.391 0 1 HKAF Cc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 587074694 COXPLVAZQQKDPX-OBGWFSINSA-N 421.931 7.227 0 1 HKAF FC(F)(F)Oc1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cc1Cl 587080019 JYJRQXMCGLYANZ-UHFFFAOYSA-N 400.187 5.771 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc3cn[nH]c3cc2[nH]1 587086359 HHYXAEUHVOTSCT-VOTSOKGWSA-N 423.307 5.470 0 1 HKAF COc1cccc2c1OCC(c1cc3c4c(ccc(C)c4n1)C(=O)c1ccccc1-3)=C2 587102662 ZJELVEOSBWCRAI-UHFFFAOYSA-N 405.453 5.696 0 1 HKAF CCOC(=O)/C(=C/c1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105924 HEAQHMXBYBVSKG-PXLXIMEGSA-N 405.453 5.550 0 1 HKAF Cc1c(Br)ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc12 587133346 OTUZNBHRXXSGOW-UHFFFAOYSA-N 402.050 5.311 0 1 HKAF COc1cccc(-c2cc(F)cc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2)c1 587160660 YRASVQKAWJMFCQ-UHFFFAOYSA-N 404.338 6.203 0 1 HKAF Fc1ccc2c(c1)C[C@H](c1nc3cc(C(F)(F)F)c(Br)cc3[nH]1)O2 587174128 MZTWMMFUGWKDRR-CQSZACIVSA-N 401.157 5.160 0 1 HKAF Cc1[nH]c2ccccc2c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346154 LJHWANGMUUUBKT-UKILVPOCSA-N 401.437 5.595 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](c2ccccc2)CCC3)c1 587367501 SIRAZBNJAXIYCN-HXUWFJFHSA-N 419.524 7.319 0 1 HKAF O=C1C[C@]2(CCC=C(NNc3ccc(Cl)cc3)C2)Oc2c1ccc1c2CCCC1 587499945 KGWPMBNKLDUNCG-XMMPIXPASA-N 408.929 5.607 0 1 HKAF O=C1C[C@@]2(CC[C@H](c3ccc(C(F)(F)F)cc3)C2)Oc2c1ccc1c2CCCC1 587507654 NNUAYXYMBUZJOY-SBUREZEXSA-N 400.440 6.256 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccn2)s1 587614503 SSDUZBHTBDSYIP-REWPJTCUSA-N 401.443 5.219 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCNc3ccc(Cl)cc32)N1 587702812 WQXHXOXGJLUBLH-WYRIXSBYSA-N 409.730 5.225 0 1 HKAF COc1ccc([C@]2(C(C)(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587724090 DSQWORNZJIUPKG-GTJPDFRWSA-N 424.329 5.560 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccccn2)N1 587767321 AKJXEHJSMUFWGR-IVZQSRNASA-N 411.318 5.004 0 1 HKAF CCC[C@H](CC1(c2nc3cccc(C)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782404 TZRQMSLONFDTEC-OAQYLSRUSA-N 404.554 6.233 0 1 HKAF Cc1[nH]c2c(C)ccc(C)c2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587802134 KBGNMDRFCFDBFO-XUSGNXJCSA-N 401.323 5.618 0 1 HKAF Cc1cc(C)c(C(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587809838 BKLLXVJIXONVDJ-IVZQSRNASA-N 418.350 5.536 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccccc3)o2)N1 587826571 FATRFWWXKBXRGX-ASSNKEHSSA-N 400.291 5.646 0 1 HKAF CC(C)=CCC/C(C)=C\c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587967440 KCDDJHZUWUKJNC-XFFZJAGNSA-N 403.242 6.374 0 1 HKAF COc1ccc2c(c1)[C@](C)(c1cc(F)c(Br)cc1F)N(C(C)C)CC2 962092899 NWNNJIOIECCVON-HXUWFJFHSA-N 410.302 5.266 0 1 HKAF Cc1cccc(CC[C@@]2(c3ccc(C)cc3C)c3c(F)cccc3C[C@H]3CCCN32)c1 963104235 HVIFALVDWNGWHH-VAVYLYDRSA-N 413.580 6.648 0 1 HKAF CCOC(=O)CCCC[C@@]1(c2ccc(F)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963112560 TZOGKKPMNLGSLX-RCZVLFRGSA-N 413.508 5.352 0 1 HKAF CCOC(=O)CCC[C@]1(c2ccc(C)cc2)NCCc2c(Cl)cc(Cl)cc21 963125333 UHAGZGREZCYJBY-JOCHJYFZSA-N 406.353 5.425 0 1 HKAF Cc1ccc(C)c2c1CCC[C@]21N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963176595 IVPBVISOOSKYJM-KKSFZXQISA-N 423.862 5.154 0 1 HKAF CCCCCC1=C(C)CC[C@]12NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963817140 JWSNARBSFICVQU-NDEPHWFRSA-N 414.593 6.779 0 1 HKAF CCC[C@H](C)N1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2)CC1 1772590233 CDBZANQVCKRWKL-IBGZPJMESA-N 413.993 6.027 0 1 HKAF C[C@@H]1[C@@H]2C[C@H](C[C@H]1NCc1ccc(-c3ccc(Br)s3)s1)C2(C)C 1857750155 WVSUMXPSDBBNRS-RJZRQDKASA-N 410.446 6.399 0 1 HKAF CCC(=CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356384735 WSQWPVHORPUSOR-SJQQJJQDSA-N 414.718 8.025 0 1 HKAF CC1(C)[C@@H](O)CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]([C@@]3(C)C=CC(=O)O3)CC[C@]21C 2356411608 UNSQIEVGNLJREE-HFCWAODJSA-N 414.630 5.904 0 1 HKAF CC(C)=CCCC(C)=CCc1cc([C@@H]2CC(=O)c3c(cc(O)c(C)c3O)O2)ccc1O 2356423230 RILNWSNLVSDZNW-QHCPKHFHSA-N 422.521 6.054 0 1 HKAF COc1cc2c(c(C)c1-c1ccoc1)C[C@H]1[C@@]2(C)[C@@H](O)C[C@H]2C(C)(C)[C@@H](O)CC[C@]21C 2356429526 YDLXVDBWQZWRFB-GJSFJGLESA-N 424.581 5.262 0 1 HKAF CC[C@@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356558075 LGJMUZUPVCAVPU-XGZDGSBNSA-N 416.734 8.105 0 1 HKAF C[C@H]([C@@H]1CC[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@]35CC[C@]12C)N(C)C 2356681370 RJBBOSXUQGUNDD-UMASZPIUSA-N 412.706 6.082 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C[C@@H]1C[C@H]3O 2356709494 HHVQPBXBALLUDF-DNTQJWBWSA-N 418.662 5.618 0 1 HKAF CCCCC[C@H](O)C=CCCCCC[C@H](CCc1ccccc1)[C@@H](C(=O)O)[C@H](C)O 2356768803 RNNFUQMZRJKOML-VHXCZSFDSA-N 418.618 5.765 0 1 HKAF O=C(Nc1cccc(Cl)c1)OCCN1CCCC12CCC(c1ccccc1)CC2 205710023 ZSVJRXGUQKVJTR-UHFFFAOYSA-N 412.961 6.081 0 3 HKAF COc1ccc(-c2cc(Oc3cccc(F)c3F)nnc2-c2ccc(OC)cc2)cc1 1551964 KRRZBNPICSYCJJ-UHFFFAOYSA-N 420.415 5.898 0 1 HKAF Clc1ccc(-c2cc(-c3cc4cc(Br)ccc4nc3Cl)on2)cc1 1660488 CEUNXCOKTDIRPE-UHFFFAOYSA-N 420.093 6.626 0 1 HKAF COc1cc(OC)c2c(c1)[C@@H](CCCCCC[C@@H]1CC[C@@]3(CC[C@@H](C)O3)O1)OC2=O 1890876 MDVWGBKYBVEXHU-RYFDGZFISA-N 418.530 5.330 0 1 HKAF COc1ccc(-c2noc(-c3ccc(F)cc3Cl)c2C(=O)N[C@H](C)C(C)C)cc1 2480842 DTMFGTSAQKPXQE-CYBMUJFWSA-N 416.880 5.584 0 1 HKAF CCc1nc2c(n1C(C1CC1)C1CC1)C(=O)N(C)CN2c1ccc(Cl)cc1Cl 3821128 AUECLXXBKDPVTQ-UHFFFAOYSA-N 419.356 5.295 0 1 HKAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCc1ccccc1F 4295057 UMYZRXLUHPIJRU-RTWAWAEBSA-N 402.535 5.260 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1Cl)Oc1ccc(F)cc1-3 13527212 RFNPESLVOMQSMD-FMCGGJTJSA-N 417.911 7.644 0 1 HKAF CCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@@H](CC)c1ccccc1 13795652 NBTRKUWYJXBILO-DEOSSOPVSA-N 408.545 6.735 0 1 HKAF CO[C@@H]1c2c(c3c(c4c(-c5ccccc5)cc(=O)oc24)OC(C)(C)C=C3)O[C@H](C)[C@@H]1C 14555308 STOSFQGFUXQJCN-KIMHZCHSSA-N 418.489 5.749 0 1 HKAF biogenic Cc1cc(C)cc(-c2c(OC[C@@H]3CCCCN3C)c3ccc(Cl)cc3[nH]c2=O)c1 26578853 KFJHOKALLLCAHV-IBGZPJMESA-N 410.945 5.328 0 1 HKAF CCCN(c1nc(-c2c(C)cc(C)cc2C)n(CC(F)(F)F)n1)C(C1CC1)C1CC1 26848627 ZKUIDNJCUNPWMT-UHFFFAOYSA-N 420.523 5.838 0 1 HKAF O=C(O)C(Cc1ccccc1)(Cc1ccccc1)SCCSc1ccccc1 27654159 AYRNEUYJXWYNLK-UHFFFAOYSA-N 408.588 5.821 0 1 HKAF CC[C@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)sc3C)ccc21 28566352 MDOUYVQGTYTRTO-UNMCSNQZSA-N 421.562 5.881 0 1 HKAF CCCCCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1F 28643081 OMUXIFXTUTYXDK-UHFFFAOYSA-N 404.493 5.068 0 1 HKAF CC[C@]1(C[C@@](O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)CCCc2ccccc21 28826140 YTXMUOSDKIUWKU-PKTZIBPZSA-N 401.472 6.078 0 1 HKAF Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cccc1-c1ccc2nc(N)ncc2c1 35049814 JZILFOHCFXBEHF-UHFFFAOYSA-N 422.410 5.459 0 1 HKAF CCCCCCN1CCN(Cc2cccc(NC(=O)c3cccc(OCC)c3)c2)CC1 45228818 OCUNVZALJHYCPN-UHFFFAOYSA-N 423.601 5.036 0 1 HKAF COc1cc(C)nc2ccc(NC(=O)Nc3ccc4nc(C)cc(OC)c4c3)cc12 45323656 MPMGXYGWGSUHAU-UHFFFAOYSA-N 402.454 5.061 0 1 HKAF CC1(C)CC[C@@]2(CC[C@H]3[C@@H]4CCc5cc(C(N)=S)ccc5[C@H]4CC[C@@]32C)OC1=O 48999032 ZOPXMIHAHSICQQ-NDUHRLLKSA-N 411.611 5.279 0 1 HKAF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccccc1 82132291 FHCLEZOICRFFPD-PGRDOPGGSA-N 406.574 5.444 0 1 HKAF FC(F)(F)c1cc(-n2cnc(-c3ccccc3Nc3ccncc3)n2)ccc1Cl 89455706 IXMRWHWBRPQRHV-UHFFFAOYSA-N 415.806 5.745 0 1 HKAF Nc1nccn2c(C3CCC3)nc(-c3ccc(C(=O)c4ccccc4)c4ccccc34)c12 96168086 GZBBCSBFXZVVEM-UHFFFAOYSA-N 418.500 5.630 0 1 HKAF COc1cc2c(cc1OC)[C@@H](CCc1ccccc1)N(C(=O)c1cccc(F)c1)CC2 96907892 IGFVLHUKTHPTFW-HSZRJFAPSA-N 419.496 5.215 0 1 HKAF C/C(=C\COC(=O)c1ccccc1)C[C@@H](O)[C@]1(C)[C@H]2CCCC(C)(C)C2=CC[C@H]1C 96933121 IWRWLWUPGHVRFA-DUNNSWMWSA-N 410.598 6.340 0 1 HKAF OC1=C2C(=Nc3nc(-c4ccccc4)nn3[C@H]2c2cccc(Br)c2)CCC1 103665720 YDCUYIFOGSUTNN-IBGZPJMESA-N 421.298 5.379 0 1 HKAF CC(C)[C@@H](C)[C@H](C)C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118923987 KTGGCSVZUGUIFS-GCYKYGBNSA-N 416.734 7.961 0 1 HKAF C[C@@H](CCC=C1CC1)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 118933928 JPBYBCDJWOLHTR-OQGFTEGWSA-N 424.713 7.923 0 1 HKAF C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 118937281 CIBAPVLFORANSS-AYSYCMHASA-N 414.630 6.002 0 1 HKAF endogenous,in-man CC[C@H](/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 135847374 CSVWWLUMXNHWSU-IATMJFSXSA-N 414.718 7.881 0 1 HKAF CC1(C)OC(=O)N(c2ccc(-c3cc(-c4ccccn4)cnn3)cc2)[C@H]1c1ccccc1 146950188 NLJNHIUTTDDWCM-DEOSSOPVSA-N 422.488 5.682 0 1 HKAF CCCCC(=O)Oc1ccc2c(c1)[C@@]1(c3ccccc3)CCN(CC3CCC3)[C@@H](C2)C1 169314682 WGYOEFZQMDVJPJ-CUBQBAPOSA-N 417.593 5.889 0 1 HKAF CCC[C@@H]1CC(=O)[C@H]2C(=NC(C)=C(C(=O)OC)[C@@H]2c2ccc(-c3ccccc3)cc2)C1 169728289 DRYQKAWCIABIBK-LGIRGXTLSA-N 415.533 5.734 0 1 HKAF CCc1cc2c(-c3c(C)cc(O)c4c(OC)cccc34)c(O)cc(OC)c2c(C)n1 238748685 AKWTWMOZGJKWDP-UHFFFAOYSA-N 403.478 5.663 0 1 HKAF C[C@H]1[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]21C 238755014 NCQKCGSHPYPBLF-QZDIJJBYSA-N 414.718 7.859 0 1 HKAF COc1cc(O)c(-c2ccc(OC)c3c(OC)cc(C)cc23)c2c1C(C)=N[C@@H](C)C2 238760545 CFBIKBQUHRRMOQ-AWEZNQCLSA-N 405.494 5.300 0 1 HKAF CN1CCC(Oc2ccc(-c3ccc(NC(=O)c4cccc(Cl)c4)cc3)cc2)CC1 299821786 MAZWQYOLQPCZPM-UHFFFAOYSA-N 420.940 5.732 0 1 HKAF C[C@H](C(=O)NCCc1c[nH]c2ccc(O)cc12)c1ccc(-c2ccccc2)c(F)c1 299823661 RWRSAYHAZBVTII-INIZCTEOSA-N 402.469 5.142 0 1 HKAF CCCN(Cc1ccc(C(=O)O)cc1)C(=O)c1ccc(Oc2ccccc2OC)cc1 584598225 HDFMOQYPAALHKY-UHFFFAOYSA-N 419.477 5.238 0 1 HKAF Cc1cccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c12 587007414 KUIXVEIVLHINKI-UHFFFAOYSA-N 410.271 5.070 0 1 HKAF CCN1C(=O)C[C@@H](c2nc3cccc(Br)c3[nH]2)[C@@H]1c1ccccc1Cl 587062661 ZTGVXIFVTDBTKC-XIKOKIGWSA-N 418.722 5.056 0 1 HKAF Cc1c(Cl)ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587069154 FUKDTQSSFFRLLC-XDJHFCHBSA-N 407.344 7.352 0 1 HKAF Fc1cc2nc(-c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1C(F)(F)F 587072378 ZVABDQNLOLDGRC-UHFFFAOYSA-N 420.793 6.620 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(F)cc2[nH]1 587087434 QHJYHHXTHRHCSD-CLFYSBASSA-N 401.272 5.732 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(N5CCCCCC5)cc4)nc13)-c1ccccc1C2=O 587097262 MRBUYQUMLOKQTJ-UHFFFAOYSA-N 418.540 6.802 0 1 HKAF CCOC(=O)[C@H]1Cc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)-c2ccccc21 587099285 XXZVMCALPZQXST-NRFANRHFSA-N 419.480 5.624 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(N5CCOCC5)s4)nc13)-c1ccccc1C2=O 587101658 IRBHADSMKXEWEN-UHFFFAOYSA-N 412.514 5.320 0 1 HKAF CC(C)c1ccccc1NC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104675 USGAPVHOCUKXCF-UHFFFAOYSA-N 406.485 5.751 0 1 HKAF Cc1nc2cccc3c2c(c1Cc1ccc(OCCC(=O)O)cc1)-c1ccccc1C3=O 587105929 HHMUWBCGIDMPAW-UHFFFAOYSA-N 423.468 5.199 0 1 HKAF CCOC(=O)CCOc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587106594 MBLCYSAELNRYCN-UHFFFAOYSA-N 423.468 5.445 0 1 HKAF COc1ccc(-c2nc3cccc4c3c(c2CCC(=O)O)-c2ccccc2C4=O)cc1 587107160 PEPMDUZYPZFQBK-UHFFFAOYSA-N 409.441 5.139 0 1 HKAF COc1cc(-c2nc3cc(Cl)cc(C)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143577 JQAXHOOFZRJDQI-UHFFFAOYSA-N 410.832 5.705 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4nc(Br)c[nH]c-4n3)c(Cl)c2)cc1F 587145856 SWGKRVDNISFKJC-UHFFFAOYSA-N 417.669 5.502 0 1 HKAF CCCCCOc1cc2nc([C@H](C)Oc3ccc(F)cc3)[nH]c2cc1Br 587168674 KVZRKYXDEVDYFK-ZDUSSCGKSA-N 421.310 6.174 0 1 HKAF O=c1c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587172173 YFRDMNCWQMBNIQ-UHFFFAOYSA-N 406.219 5.465 0 1 HKAF CCC[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350002 WMIPVCSKNWLYPL-AOYPEHQESA-N 415.464 6.067 0 1 HKAF C[C@@]1(c2ccc3cc(O)ccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350004 GIMNFHGDOQJAPV-AHWVRZQESA-N 414.432 5.664 0 1 HKAF C[C@@]1(c2cccc(-c3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351661 GVVHEAHNSJLMRO-IAPPQJPRSA-N 424.471 6.473 0 1 HKAF CCc1ccc([C@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587352023 IDFRURLOHYKFGF-AHWVRZQESA-N 404.481 6.004 0 1 HKAF COc1cccc(-c2cc(CC(=O)c3ccccc3O)nc3c2oc2ccccc23)c1 587366336 ODTRKMVHNDDLIM-UHFFFAOYSA-N 409.441 5.788 0 1 HKAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccccc1C 587401002 TZCQAYLUNZLUGK-HSZRJFAPSA-N 403.478 5.180 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc(Cc3ccc(Cl)cc3)nc1C)O2 587415265 ZBPKXHCPVQPZKE-QFIPXVFZSA-N 412.942 5.467 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccc(Cl)cc4)cc1)[C@@H](C2)C3=O 587419889 FTSKFOGHZIFXRN-GBXCKJPGSA-N 406.865 5.416 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)([C@H](C)Oc1ccc(-c4ccc(C)cc4)cc1)[C@@H](C2)C3=O 587439114 JMODISPJLMABQZ-IPZQTHRPSA-N 414.501 5.644 0 1 HKAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(C(C)(C)C)cc41)[C@@H](C2)C3=O 587447113 LMRHFERTCQSPSP-RBISFHTESA-N 424.496 5.228 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1oc3ccccc3c1Br)CC2=O 587458037 FPITZDHPSXIRKG-NRFANRHFSA-N 415.283 5.734 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Oc1cc(C)cc(C)c1)CC2=O 587481981 QSGMJCCTSUBGCK-RUZDIDTESA-N 402.490 6.460 0 1 HKAF C[C@H](c1ccccc1)n1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc2ccccc21 587516734 VLOAMSNADDCZFO-DWXRJYCRSA-N 422.528 6.231 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCCc1ccc(Cl)cc12 587550457 BALOMJROVOUBMK-ZJSXRUAMSA-N 406.865 5.629 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1c(C(F)(F)F)cccc12 587557801 UCVUCKDUBKUXLP-DENIHFKCSA-N 412.363 5.214 0 1 HKAF C[C@]1(c2ccc(F)cc2OC(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558522 WUBLONUSHXRDJS-XMSQKQJNSA-N 416.351 5.010 0 1 HKAF CC(C)CSc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587612570 JUZLCEGWOAPEKF-XUZZJYLKSA-N 406.503 5.843 0 1 HKAF CCOC(=O)c1c(C)[nH]c(-c2[nH]c3ccc([C@@H](C)CC)cc3c2C(=O)OCC)c1C 587644179 PAEJQEGLACZMJQ-ZDUSSCGKSA-N 410.514 5.647 0 1 HKAF Cc1cc(OC(F)F)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587716603 JQEPIMDPWQQSJE-ADLMAVQZSA-N 414.265 5.430 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2F)N1 587726269 HSUGHJHSTGYBDO-JLCFBVMHSA-N 414.293 5.553 0 1 HKAF Cc1cc(F)ccc1-c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587730034 ICVCDFLCLTYRDC-QKVFXAPYSA-N 418.281 5.919 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2cn(C)c3ccccc23)N1 587753337 AWWGTXIJUNUFEA-FYJVZOODSA-N 413.334 5.543 0 1 HKAF Cc1nn(-c2ccccc2)c(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587757540 ONUOFZQOIXQNJT-LAJNKCICSA-N 414.322 5.014 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)(C2CCCCC2)N1 587772912 PRKMNTMXFSOTKC-LHSJRXKWSA-N 403.339 5.341 0 1 HKAF CCOc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCC 587802632 STKMBUACFLUACD-BUXKBTBVSA-N 408.311 5.009 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccc(O)cc2)N1 587834539 SDWQBKSEMRUIFT-MCMMXHMISA-N 412.302 5.584 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(O)c3)cc2)N1 587835428 WFZHBONRPYIXMY-XMHCIUCPSA-N 412.302 5.584 0 1 HKAF COc1c(Cc2ccccc2)cc(O)n1-c1cnc2cc(Br)ccc2c1 587940357 OPKOXOYUJAUVRP-UHFFFAOYSA-N 409.283 5.093 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2nc(-c3ccc(OC4CCC4)cc3)[nH]c2c1 587952149 ZGFDOCLOPTXLFI-UHFFFAOYSA-N 400.322 6.199 0 1 HKAF COc1ccc(C)cc1-c1[nH]c2ccccc2c1[C@@H]1NCCc2nc3ccccn3c21 962988412 YJUULKLAVWVAKZ-VWLOTQADSA-N 408.505 5.035 0 1 HKAF O=C(Nc1cccc(C(F)(F)F)c1-c1cccnc1)c1cccc(-c2ccccn2)c1 1772604316 RLBBJINJWALGGU-UHFFFAOYSA-N 419.406 6.082 0 1 HKAF COC(=O)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)cc1 1857589060 HNYCWNGXVBOEGR-UHFFFAOYSA-N 420.292 6.137 0 1 HKAF FC(F)(F)c1ccc(CSc2nc(N3CCCCC3)c3ccccc3n2)cc1 1857601695 IFVNHHMRBWEYJV-UHFFFAOYSA-N 403.473 5.931 0 1 HKAF COc1ccc2cc1Oc1cccc(c1)CC[C@H](NCCc1ccc(F)cc1)CC2 1857611861 QAIOTHWSOMEMCO-QHCPKHFHSA-N 405.513 5.706 0 1 HKAF CC(C)=CCCC(C)=CCc1cc2c(cc1O)OC[C@H]1c3cc4c(cc3O[C@H]21)OCO4 2356565666 GWPLWWRLEHMIPE-RXFWQSSRSA-N 420.505 5.966 0 1 HKAF C[C@H]1[C@@H]2[C@@H](C[C@@H]3C4=CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 2356650990 YRYHWWSPSYOEEL-RJCBQCIRSA-N 412.614 5.634 0 1 HKAF COc1cc2c(c(-c3c(C)cc(OC)c4c(OC)cccc34)c1O)C[C@@H](C)N[C@H]2C 2356661218 UFIFXCNIBQABEQ-CABCVRRESA-N 407.510 5.142 0 1 HKAF CC(=O)[C@@H](CC=C(C)C)C(C)=CCOc1ccc(CCNC(=O)c2ccccc2)cc1 2356753218 FGXBFPFGWRVMGG-SANMLTNESA-N 419.565 5.546 0 1 HKAF CCC/C=C(\CCC)[C@H](NC(=O)CCc1ccccc1)c1ccc(C(F)(F)F)cc1 13123405 CVULGKRHVFGCGX-NNDWLSIRSA-N 417.515 7.022 0 3 HKAF C[C@@]1(Cc2ccc(Cl)cc2)C(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21 61908525 OILVFPBMGFRINO-QFIPXVFZSA-N 400.280 6.252 0 3 HKAF FC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(C(F)(F)F)c1 598934 GZAMCYJCPQMIHJ-UHFFFAOYSA-N 417.393 5.562 0 1 HKAF Cc1ccc(CNc2nc(CN3CCCC[C@@H]3c3cccnc3)nc3ccccc23)o1 12078684 CLLZIZVKWMFQKT-HSZRJFAPSA-N 413.525 5.266 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1cc(C(=O)O)cc(C/C=C(\C)CCC=C(C)C)c1O 13378015 AMJQNZOGATWKJX-JFMUQQRKSA-N 410.598 7.561 0 1 HKAF c1ccc2c(CCCCCCCCCCCCc3ccnc4ccccc34)ccnc2c1 13745705 SEABZFOPXLVTGV-UHFFFAOYSA-N 424.632 8.469 0 1 HKAF COc1ccc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)cc1Cl 14975410 BHSOPYVVEZFHDB-UHFFFAOYSA-N 408.845 5.383 0 1 HKAF C[C@@H]1C=C(CCCCCCCCCCCCCC[C@@H]2C(=O)O[C@H](C)[C@@H]2O)C(=O)O1 15044479 VUIJDWDZUSJDNC-WKDRNLAYSA-N 408.579 5.242 0 1 HKAF biogenic CC(C)c1ccc([C@H](c2cccs2)c2ccc(C(C)C)cc(=O)c2O)c(=O)c(O)c1 28223032 BNGVQQVMPLYICP-UHFFFAOYSA-N 422.546 5.307 0 1 HKAF Cc1ccc(C(=O)Oc2ccc(N(C(=O)c3ccc(C)cc3)n3cccc3)cc2)cc1 28759119 UDZMURDOLXMUNS-UHFFFAOYSA-N 410.473 5.434 0 1 HKAF CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(OCc2ccccc2)cc1 28949310 PNGWEOYCZVUMLD-UHFFFAOYSA-N 408.548 5.365 0 1 HKAF CC1=C(CC/C(C)=C/CC/C(=C/C[C@H]2OC(=O)C[C@H]2CO)CO)C(C)(C)CCC1 34440876 XYSUNNIWINLBIX-NYWQKZLFSA-N 404.591 5.253 0 1 HKAF Clc1ccc(C2=C(c3cc(-c4ccccc4)no3)[C@@H]3CC[C@H](C2)S3)cc1Cl 66111698 BLHHCJYOCBBQLB-VFNWGFHPSA-N 414.357 7.227 0 1 HKAF FC(F)(F)Oc1ccc(-c2nc(CNCc3ccccc3C(F)(F)F)co2)cc1 72101591 DBKIFVYZWAOIMI-UHFFFAOYSA-N 416.321 5.549 0 1 HKAF CCOC(=O)/C(=C\Nc1ccc(Cl)cc1)c1ccc(OCc2ccccc2)cc1 72176883 WDKKIRQWNCTKKE-KQWNVCNZSA-N 407.897 5.935 0 1 HKAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2ccc(F)cc2)C1 82139809 ZGUMREAGTIRXSI-RBUKOAKNSA-N 424.564 5.170 0 1 HKAF C[C@@H]1[C@H](OC2CCCC2)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 95910278 HGHCDDIPMDTEIA-QSEXVRDJSA-N 414.630 5.856 0 1 HKAF biogenic,in-vitro CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc(Cl)c(C(F)(F)F)n3)C2)cc1 96172950 UURQWPMCQGWURP-GFCCVEGCSA-N 412.839 5.104 0 1 HKAF CCCCCOc1ccc(-c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)no2)cc1 96913492 RVXQNANFCJHVPP-UHFFFAOYSA-N 408.542 5.609 0 1 HKAF CCCOc1ccc([C@H]2[C@H](c3ccccc3)OC(=O)N2c2ccc3nc[nH]c3c2)cc1 116828915 BPNUFMWEIQORLP-ZEQRLZLVSA-N 413.477 5.791 0 1 HKAF O=C(O)C[C@@H]1CCn2c1cc1cc(OCc3ccc(Cl)c(C(F)(F)F)c3)ccc12 117790901 WEZSBHGIKFJOED-ZDUSSCGKSA-N 423.818 5.855 0 1 HKAF Cc1cc(O)c(-c2ccc([C@@H](C)CN(C)C)c(F)c2)c2c1[nH]c(=O)c1sccc12 150149270 LHZSCNHIQYURJR-ZDUSSCGKSA-N 410.514 5.228 0 1 HKAF CN(CCCCCCN1CCN(c2cccc3ccccc23)CC1)c1cccc(O)c1 169328525 JXVZZHLJTOLWAH-UHFFFAOYSA-N 417.597 5.364 0 1 HKAF C[C@H](CCCC(C)(C)N)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253634547 PXBRKHPZKBDNFZ-WFYJKVFESA-N 401.679 6.470 0 1 HKAF CC(C)C/C=C/[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 255225711 LENYQUOTRXGYQY-JKEHGULWSA-N 424.713 8.543 0 1 HKAF CC(C)c1cc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(O)c(C(C)C)c1 586896171 JDHHLYTVMSEQKA-UHFFFAOYSA-N 400.526 6.014 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2c1 587016852 OPQAVTUYLPQEPN-NSHDSACASA-N 407.339 5.576 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(Cl)c(C)c3[nH]1)N2 587030544 FLKBJUWSLGWGEL-ODYDIQAQSA-N 418.975 5.652 0 1 HKAF C[C@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1ccccc1C(F)(F)F 587099017 VVPBHEUBTWAGCY-ZDUSSCGKSA-N 423.463 7.010 0 1 HKAF O=C(c1nc2c(F)cc(Br)cc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133591 VFFSIBBYOWVEBL-UHFFFAOYSA-N 406.013 5.141 0 1 HKAF CCCCCOc1cc2nc(/C=C/c3ccc(F)cc3F)[nH]c2cc1Br 587149196 NEPMTWHZVJSDKZ-SOFGYWHQSA-N 421.285 6.343 0 1 HKAF CC(C)[C@H](c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)N(C)C(=O)OC(C)(C)C 587197557 HHMPBXCWBIJVHK-HXUWFJFHSA-N 407.514 5.358 0 1 HKAF Cc1cc(Cl)cc2c1OCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329401 LSGDHWZNRBMANC-URXFXBBRSA-N 424.855 5.530 0 1 HKAF CC(C)(C)[C@@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352079 IETPXQSLFFEIOD-SQHAQQRYSA-N 418.508 6.308 0 1 HKAF COc1cccc(-c2cc(CCOCc3ccccc3)nc3c2oc2ccccc23)c1 587363148 NUPGHBGRVZHTQQ-UHFFFAOYSA-N 409.485 6.416 0 1 HKAF COc1cccc(-c2cc(-c3ccc(OC)c(CO)c3)nc3c2oc2ccccc23)c1 587364206 ZXTQGGSONRMEEV-UHFFFAOYSA-N 411.457 5.825 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccccc3Br)cc1)O2 587375003 AZAXSITYFSMUCN-OAQYLSRUSA-N 408.295 5.713 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1c(F)cccc1Cl)O2 587382564 SIFSPXCHJZGBGI-JOCHJYFZSA-N 411.860 5.655 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C(F)(F)F)cc3)s1)O2 587384120 YATIKOHDIBOXHU-QGZVFWFLSA-N 403.425 6.031 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Sc3ccc(Cl)cc3)s1)O2 587415157 XYNBXZGQDIJHHB-KRWDZBQOSA-N 401.940 6.150 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C(=O)O)c(Cl)c4)cc1)[C@@H](C2)C3=O 587418464 HYXKQIYXBTXVLO-MBSDFSHPSA-N 420.848 5.203 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)Nc1ccccc1S3)CC2=O 587498992 KYCCRLFJDZXPSS-RUZDIDTESA-N 417.530 6.434 0 1 HKAF CCCOc1c(Cl)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCC 587499567 VPUGWVADGSOTQA-OAQYLSRUSA-N 414.929 6.113 0 1 HKAF O=C1C[C@](Cc2ccc(F)cc2)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 587503222 DJRJZRRBYBDFAL-AREMUKBSSA-N 420.911 6.461 0 1 HKAF O=C1C[C@](Cc2cccc(F)c2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587505722 PVAPGGCIIFVKKG-AREMUKBSSA-N 404.456 5.947 0 1 HKAF O=C1C[C@H](c2ncc(-c3cccc(Br)c3)[nH]2)Oc2c1ccc1c2CCCC1 587506228 WWFNXUSRNJYNFN-HXUWFJFHSA-N 423.310 5.425 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 587552106 NMXYWEDPWWZKIQ-URXFXBBRSA-N 418.832 6.009 0 1 HKAF Cc1ccc(C)c(-n2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 587574169 AVJDRKCLCQMXEQ-ZEQKJWHPSA-N 411.457 5.503 0 1 HKAF Cc1nc(C(C)(C)C)sc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612605 MDCMXYDSRDGLFK-UZUQRXQVSA-N 409.507 5.332 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc(C(F)(F)F)c2)N1 587713684 UHFDMOOSFKZNEJ-PWJLMRLQSA-N 422.647 5.884 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(OCC3CC3)c2)N1 587719572 QDLCZMLCYWNVEX-YBTHPKLGSA-N 408.286 5.140 0 1 HKAF CC[C@@]1(c2ccc(OC(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797446 XBFNHBWBCAYADK-QKKBWIMNSA-N 406.339 5.563 0 1 HKAF CCOc1cc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)C 587801823 NWAIINZJEUVXSI-PEBXRYMYSA-N 420.366 6.042 0 1 HKAF CCCCCc1ccc([C@@]2(CC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587809833 BGVXQXZSVZULRW-WAIKUNEKSA-N 418.394 6.509 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)sc2Cl)N1 587842468 FKYMMSFYBAHTNB-NZFNHWASSA-N 409.151 5.754 0 1 HKAF Fc1ccc2c(c1)-c1cc(n(C(=S)Nc3ccc(Br)c(Cl)c3)n1)O2 587876553 RCTVTFNCDKNCSD-UHFFFAOYSA-N 424.682 5.456 0 1 HKAF COc1ccccc1-c1cc(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O 587944822 INGRTWLOFNMHHT-UHFFFAOYSA-N 409.388 5.635 0 1 HKAF Cc1cccnc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1cc(Cl)c(O)cc1O 653672734 ADYFSAHHBUQVGK-AWEZNQCLSA-N 408.885 5.103 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(C)c(C)n(-c3ccc(OC)cc3)c2C)N1 962962741 YJPJQLDEYUIPGI-UZTOHYMASA-N 413.565 5.906 0 1 HKAF COc1cccc(-c2ccc([C@@]3(C)NCCc4cc5cccc(OC)c5nc43)cc2)c1 963066993 MKMYKKWJRUMFQT-HHHXNRCGSA-N 410.517 5.328 0 1 HKAF Cc1ccnc2c1CCN[C@]2(CCc1cccc(Cl)c1)c1ccc(F)c(Cl)c1 963072751 VCSGFOJXNSTCBA-HSZRJFAPSA-N 415.339 5.858 0 1 HKAF O=C(O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963105231 IZTFEGVIDXQJQV-ZEQKJWHPSA-N 401.481 5.036 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1cccc(Cl)c1Cl)C1CCCC1 963257431 KDNPGSIDUMASRW-MZNJEOGPSA-N 402.409 7.084 0 1 HKAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)NC1CCCCC1 1857560062 WIMRVAKJXGAUJI-DOEKTCAHSA-N 410.646 6.452 0 1 HKAF COc1ccc(CNC(=S)Nc2ccc3c(c2)C(C)(C)CC(C)(C)S3)cc1 1857563320 OPIFZNUHNJMGRF-UHFFFAOYSA-N 400.613 5.734 0 1 HKAF CCCCCC=CC[C@@H](C=CC=CCC=CCCCC(=O)OC)OC(=O)CC(C)C 2356415555 OKHPUUNJBPCHEJ-DEOSSOPVSA-N 418.618 6.873 0 1 HKAF C[C@H]1CN=C([C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)CC1=O 2356660761 SSNUZXQLURLLKP-VLFLZMMDSA-N 411.630 5.612 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O 2356710632 MBIJQAHZUBUPNM-UHFFFAOYSA-N 422.477 5.518 0 1 HKAF COc1cc2c(cc1O)[C@H]1C[C@@H](C[C@@H]3CCCC[C@@H]31)OC(=O)C=Cc1ccc(O)c-2c1 2356777819 DRUCJGHRVXTYRK-RDGPPVDQSA-N 420.505 5.396 0 1 HKAF CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C(=O)O)CC4=C(C(=O)O)CC[C@@H]4[C@]4(C)C[C@@H]4[C@@H]3[C@H]12 2356863718 VHYIXEUPLWPJOV-BPUPNDJQSA-N 400.559 5.377 0 1 HKAF Cn1c(-c2ccsc2)c(-c2cccs2)c2cc(-c3ccc4[nH]ccc4c3)ccc21 36388835 DLORGPOSKOAYAI-UHFFFAOYSA-N 410.567 7.784 0 3 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)O[C@H]1CCC12CCC(c1ccccc1)CC2 96019241 PYMHBSKEKQPHMZ-DHHCDUQHSA-N 403.444 6.761 0 3 HKAF CC(C)(C)c1noc(-c2cccc3ccccc23)c1C(=O)NCCc1ccc(F)cc1 775543 NQGOPVFMECWBET-UHFFFAOYSA-N 416.496 5.904 0 1 HKAF CCOC(=O)c1cc(C(=O)c2ccccc2)n2nc(-c3ccc(Cl)cc3)ccc12 1859985 RRVFUTXNJKKSQK-UHFFFAOYSA-N 404.853 5.062 0 1 HKAF COc1cccc(Nc2ncc(C(=O)Nc3cc(C)ccc3OC)c3ccccc23)c1 4192594 VKIPRKIZJMPWFL-UHFFFAOYSA-N 413.477 5.556 0 1 HKAF FC(F)(F)c1cccc(Nc2nc(C(Cl)(Cl)Cl)nc3ccccc23)c1 5595531 XANFODHXDWRRRS-UHFFFAOYSA-N 406.622 6.219 0 1 HKAF c1ccc2c(NCCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1 13472676 CZZFMTVEVADYHA-UHFFFAOYSA-N 403.570 5.534 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](NCc1ccoc1)c1ccccc1 13737296 VACSHNQLULEGPN-DEOSSOPVSA-N 419.569 6.179 0 1 HKAF O=C(Nc1cccc2cnccc12)N[C@@H](c1ccc(C(F)(F)F)cc1)C1CCCC1 14973731 CPRZRDRNFRKJNI-OAQYLSRUSA-N 413.443 6.307 0 1 HKAF CC[C@@H](C(=O)O)[C@@H]1CCc2cc(OCCn3nc(-c4ccccc4)cc3C)ccc21 28563290 ZCZWMWGKTOSREI-GGAORHGYSA-N 404.510 5.078 0 1 HKAF CCN1CCC[C@H](Cn2c(C(C)C)nc3ccc(-c4ccc(F)cc4)cc3c2=O)C1 28713653 VEJYZHHHRRWZDS-SFHVURJKSA-N 407.533 5.058 0 1 HKAF FC(F)(F)c1ccc2c(c1)N(CCCNc1ccccn1)c1ccccc1S2 28821655 JUARKYQGARXHDD-UHFFFAOYSA-N 401.457 6.205 0 1 HKAF COc1ccc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)cc1 28825281 BDHLYFHGXMWWJR-RRPNLBNLSA-N 420.597 5.232 0 1 HKAF CCCCC[C@H]1CC(=O)c2c(c3c(c4c(CCC)cc(=O)oc24)OC(C)(C)C=C3)O1 29133758 ICTIKHSIIHOUII-INIZCTEOSA-N 410.510 5.844 0 1 HKAF Cc1ccc2ccccc2c1[C@H](C)C(=O)Nc1ccccc1Cc1ccccc1C(=O)O 33821994 SXRSZPDRYMXVDE-IBGZPJMESA-N 423.512 6.179 0 1 HKAF COC(=O)[C@H](Oc1cccc2c1CCCC2)c1ccc(Oc2ccc(Cl)cc2)cc1 39242710 QFKWDACCAJYSTP-XMMPIXPASA-N 422.908 6.304 0 1 HKAF O=C(O)CCCN1CCCC[C@@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 49089475 LHVWRDUSOBRVEA-GOSISDBHSA-N 403.906 5.230 0 1 HKAF C[C@@H]1CCCC(=O)N[C@H](c2ccccc2)[C@H](C)CCCC(=O)N[C@@H]1c1ccccc1 66148512 VXISWQYLXNBKND-RGOSMPGBSA-N 406.570 5.328 0 1 HKAF CCc1cnc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2cccc(C)c2)s1 82167389 PFSQJIXAWBWUFM-UHFFFAOYSA-N 418.541 5.932 0 1 HKAF Clc1cc(NCc2cccnc2)c2[nH]c3cnc(NCc4ccccc4)cc3c2c1 95557727 KSENAVUIAMZFAP-UHFFFAOYSA-N 413.912 5.989 0 1 HKAF O=C(c1c(Cl)cc(Cl)cc1Cl)N1CCn2c(-c3ccccc3)cnc2C1 95565863 GRCXIRBEYYZZDI-UHFFFAOYSA-N 406.700 5.166 0 1 HKAF CCN(CC)C(=O)[C@@H]1Sc2ccc(F)cc2-c2c1c1ccccc1n2CCF 96909190 UFIIMXHKOVDWOD-OAQYLSRUSA-N 400.494 5.432 0 1 HKAF COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3C(Cl)=NC=N[C@@H]32)cc1 98084635 ZCMRDWHYJKVANH-RCZVLFRGSA-N 413.908 5.705 0 1 HKAF O=C(OC[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1cccs1)c1ccc2ccccc2c1 100909240 HKCXATAGMOKJIB-WTYPKXHOSA-N 415.558 5.624 0 1 HKAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)CC(=O)N1Cc1ccc(OC(F)(F)F)cc1 103258897 WIJOFKNWMVOSOA-PBHICJAKSA-N 423.431 5.102 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 119250574 VETZNBAGZJYCQT-MEFYUQHLSA-N 414.674 7.102 0 1 HKAF in-man CCCN(CCC)C(=O)[C@H]1C(C)=Nc2ccnn2[C@@H]1c1ccc(Cl)c(Cl)c1 169720765 IBUCUBNOYQICMA-RBUKOAKNSA-N 407.345 5.150 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@H]1c1ccc(-c2ccccc2)cc1 169728414 CFZAGKUIJPWFLD-ZEQRLZLVSA-N 401.506 5.344 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc(F)c(F)c2)n1 205846488 REBMAXKVJHZZRY-AWEZNQCLSA-N 405.452 5.304 0 1 HKAF C[C@@H](Nc1nc([C@@H](Oc2ccccc2)c2ccccc2)nc2[nH]ncc12)c1ccccc1 206816414 PTMQLMAOXJYUMF-JPYJTQIMSA-N 421.504 5.694 0 1 HKAF CC(C)(O)/C=C\C[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c([nH]c4ccccc34)[C@@]12C 207155387 UCZDOMMSHDUFIK-QLYJKXBESA-N 421.625 5.892 0 1 HKAF C/C=C(/C)C(=O)O[C@H]1C[C@H]2Cc3occ(C)c3C[C@]2(C)[C@@H](C)[C@@H]1OC(=O)/C(C)=C\C 238750741 VFXPFKHNRXPZTI-CMBCVGLMSA-N 414.542 5.105 0 1 HKAF CC[C@H](CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 253609274 KZJWDPNRJALLNS-SEEUXFRTSA-N 414.718 8.025 0 1 HKAF CC[C@H](CC(C)C)C[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255278160 WVNIISADYSWCOG-BSJPTTOTSA-N 414.718 8.025 0 1 HKAF FC(F)(F)Oc1cccc(O[C@@H](CC2CNC2)c2ccc(Cl)c(Cl)c2)c1 299839772 UBQLLVMEOGBWCI-KRWDZBQOSA-N 406.231 5.622 0 1 HKAF Cc1ccc2c3c(cc(-c4cnn(-c5ccc(F)cc5)c4)nc13)-c1ccccc1C2=O 586996891 VAWCRKPZEIEJJR-UHFFFAOYSA-N 405.432 5.746 0 1 HKAF Cc1c(Cl)ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 587027475 RBCDAGPEQMDTFZ-IPELMVKDSA-N 413.974 5.661 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 587072567 RZRLDMKDFIYAQC-NHFGVRTKSA-N 411.254 6.653 0 1 HKAF Fc1cc2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc2cc1Br 587073948 OAAMEJXMUQFRDO-KRWDZBQOSA-N 408.702 5.455 0 1 HKAF COc1cc2[nH]c(-c3noc(C)c3COc3ccc(Cl)cc3)nc2cc1Cl 587075039 DPSILILEMCLXDV-UHFFFAOYSA-N 404.253 5.421 0 1 HKAF CC(C)Oc1cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2cc1Br 587084901 JXFHJMBBMKDTPH-UHFFFAOYSA-N 416.706 5.981 0 1 HKAF CCOC(=O)Cc1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1 587094974 LESNBEGHQDAAIL-UHFFFAOYSA-N 416.321 5.373 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1cc3c(cc1OCC4)CCC3)-c1ccccc1C2=O 587100531 CCDTVEIKOVLLIM-UHFFFAOYSA-N 403.481 5.845 0 1 HKAF Fc1ccc(F)c(SCc2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1 587140829 GOIVRMOLWQQZKE-UHFFFAOYSA-N 420.406 6.819 0 1 HKAF N[C@@H](Cc1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccc(Br)cc1F 587142866 OIQTXNDNXNMDHG-LBPRGKRZSA-N 403.082 5.014 0 1 HKAF Cc1cc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145058 SMYADISMUZZNSG-UHFFFAOYSA-N 416.239 5.744 0 1 HKAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1F 587150408 DFIYBWOPBNERRC-VHSXEESVSA-N 417.175 5.894 0 1 HKAF C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587169155 UPRCTHRJSURLDY-MRVPVSSYSA-N 403.173 5.623 0 1 HKAF O=C(O)CC1=C(c2ccc(Br)cc2)Cc2c1nc1cccc3c1c2CC3 587207074 AXXOTZYFSVDSGK-UHFFFAOYSA-N 406.279 5.038 0 1 HKAF Nc1c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)ccc2ccccc12 587254372 NPXPONXFWCBVMG-UHFFFAOYSA-N 406.205 5.747 0 1 HKAF CC[C@@]1(c2cc(C(=O)O)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329926 FWRFUJDMOTUBLX-URXFXBBRSA-N 424.399 5.033 0 1 HKAF C[C@]1(c2cc(Cl)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339708 ZHAZRDZCSHYQPW-RBBKRZOGSA-N 400.808 5.598 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(Br)=C(C)C3)c1 587358323 RLPLQWWJTDESOF-UHFFFAOYSA-N 406.279 6.339 0 1 HKAF COc1cccc(-c2cc([C@H]3C[C@@H]3c3ccccc3C)nc3c2oc2ccccc23)c1 587364465 ANICXLASCLSQQD-RPWUZVMVSA-N 405.497 7.236 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Oc1cccc(OC)c1)CC2=O 587476827 GKPQKRDGHOWXBY-XMMPIXPASA-N 404.462 5.852 0 1 HKAF O=C1C[C@]2(CCCc3c2cnn3-c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587502072 BKIBEVHFEZVWRH-VWLOTQADSA-N 402.469 5.087 0 1 HKAF O=C1C[C@](Cc2ccccn2)(c2ccc(Cl)cc2F)Oc2c1ccc1c2CCCC1 587503476 HBJUXDJEWQVRAT-RUZDIDTESA-N 421.899 5.856 0 1 HKAF Cc1ccc(Cn2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc32)cc1 587516725 VCOGOJOZVPKQCJ-NDEPHWFRSA-N 421.540 6.583 0 1 HKAF O=C1C[C@@](c2cccnc2)(c2csc3ccccc23)Oc2c1ccc1c2CCCC1 587535482 LKGZAWLGPKOPLT-AREMUKBSSA-N 411.526 6.084 0 1 HKAF Cc1ccc(-c2nc3c(s2)[C@@]2(CCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587536065 QSKTXBQNPSOPPM-AREMUKBSSA-N 415.558 6.194 0 1 HKAF Cc1cc(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587538868 GYZDFDQDTHZVFA-RXVVDRJESA-N 411.251 5.166 0 1 HKAF CC(C)[C@]1(Cc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545602 HNPRCTCHTRJVSJ-URXFXBBRSA-N 408.881 5.645 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C(F)(F)F)ccc1Cl 587545895 IKHPZXFBOFDREN-YLJYHZDGSA-N 420.770 5.767 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c2ccccc2c1O 587555026 ZCKFIMAAIFVXRY-GBXCKJPGSA-N 418.832 5.607 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1-c1ccc(F)cc1 587573296 VSIYJHSHCMHKCL-BWKNWUBXSA-N 413.404 5.296 0 1 HKAF C[C@@]1(c2ccc(-c3ccncc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587736 PQWNZGUXXZFMIX-BVAGGSTKSA-N 409.441 5.331 0 1 HKAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(C)(C)C 587594640 OZZLYTHHXJPMFJ-BKMJKUGQSA-N 418.489 5.575 0 1 HKAF C[C@]1(Cc2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602325 JDWIHSCGYHYMIE-LEAFIULHSA-N 422.480 6.022 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(C)(C)C)(c2ccc(Cl)cc2)N1 587694936 AVSGTJUPNIKFBM-YEJXKQKISA-N 424.785 6.456 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(F)c(Cl)c2)N1 587714316 FGGFCMYYYIBRMY-VGDKGRGNSA-N 407.085 5.658 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2F)N1 587719767 QOHMRHIFAKHGMM-PWJLMRLQSA-N 417.091 5.113 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2N2CCCCC2)N1 587769640 YTKFWCXSOBFOOH-LHSJRXKWSA-N 403.339 5.202 0 1 HKAF Fc1cc(Br)cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587784610 SIJGQHIQWJKYMQ-FLIBITNWSA-N 423.285 6.214 0 1 HKAF CC(C)C[C@@]1(CCc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587810174 CCBNVKCUDLZYRE-KSFYIVLOSA-N 404.367 5.997 0 1 HKAF C/C=C\[C@]1([C@@H]2C(C)=CCCC2(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814702 IIGJAQWHUDKTDE-RIWCNRQVSA-N 406.383 6.276 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@](C)(c3ccccc3)CC2)N1 587816954 GIQMMOQOLSMSHU-YDFBLROQSA-N 400.335 5.626 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3cccc(O)c3)c2)N1 587833698 OXCOXGMJHVIKRI-DMZKTXOQSA-N 412.302 5.584 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2nccs2)N1 587851393 BOQSUOCIMBZJMD-BBATYDOGSA-N 403.320 5.335 0 1 HKAF COc1cc(-c2ccccc2)c(OC)n1CC1CCN(Cc2ccc(F)cc2)CC1 587944977 CFJNEYBXDQQQLU-UHFFFAOYSA-N 408.517 5.224 0 1 HKAF CC1CCN(CCCCCCOc2nc(-c3ccccc3)nc3c2CCCC3)CC1 653721773 UDNCTVUKVWOKSV-UHFFFAOYSA-N 407.602 5.694 0 1 HKAF C1=C(c2ccccc2)N2C(=NC3=C(CSc4ccccc43)[C@@H]2c2ccccc2)S1 653899282 KSPSFORZXFCZEL-DEOSSOPVSA-N 410.567 6.662 0 1 HKAF Cc1sc2c(c1C)CCN[C@]2(C[C@@](O)(c1ccccc1)C(F)(F)F)C(C)(C)C 963012591 QHMKKGVWTSZXAU-LEWJYISDSA-N 411.533 5.592 0 1 HKAF CCC[C@]1(CCCCCC(=O)OCC)c2cccc(Br)c2CCN1C 963280730 OQOVXDVTHGJCBF-NRFANRHFSA-N 410.396 5.446 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](c3ccccc3)Nc3c(ccc4c3CCCC4)[C@@H]21 1857547922 YPEBIXGKOUDPHV-GPXNEJASSA-N 404.554 6.030 0 1 HKAF CC(C)N1CCN([C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccn2)CC1 1857552914 SLKWFYPRHXUEKS-DEOSSOPVSA-N 423.645 5.498 0 1 HKAF CC(=O)c1ccc(Sc2ccc(NC(=O)CSc3nc(C)cc(C)n3)cc2)cc1 1857588128 BABHYZDMSZJOHH-UHFFFAOYSA-N 423.563 5.178 0 1 HKAF Oc1ccccc1-c1cc(-c2ccc(C(F)(F)F)cc2)nc2c1Cc1c(O)cccc1-2 1857604448 ZNTXTOCHRZLGCH-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF Cc1ccc(C(=O)c2cc3cc([C@@H]4Nc5ccccc5C(=O)N4C)cc(C)c3o2)cc1 1857633320 NSVUGCGTDAIGAS-RUZDIDTESA-N 410.473 5.477 0 1 HKAF CC1=C[C@H](CNCc2ncc[nH]2)[C@@H](C(C)C)C[C@@H]1Cc1nc2ccc(Cl)cc2[nH]1 2356288101 WDWVCDOOUNQTCJ-ZHALLVOQSA-N 411.981 5.126 0 1 HKAF Cc1nc(C=C[C@H](O)CC=CCCC[C@H](C)[C@H](O)[C@H](C)C(=O)C(C)(C)C)cs1 2356337227 SQZGLNJGLTXCMY-PZBISTMVSA-N 407.620 5.191 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356490221 ARTLJRSXUMKHFS-JLDSEQPVSA-N 412.702 8.233 0 1 HKAF CC(=CCN1[CH]N(C)c2ncnc(N)c21)CC[C@@]1(C)C2=C(CC[C@H]1C)C(C)(C)CCC2 2356507137 PPRAJJACHIXBMX-NIYFSFCBSA-N 422.641 6.104 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCC[C@@]1(C)CCc2cc(O)c(C=O)c(C)c2O1 2356691148 YZVVWGKWMXQUIQ-NDEPHWFRSA-N 424.625 7.796 0 1 HKAF CC(=O)Nc1cc(-c2ccccc2N(C)C)cn2c(-c3ccc(F)c(Cl)c3)cnc12 61897017 VYYUELHHWGUFLI-UHFFFAOYSA-N 422.891 5.485 0 3 HKAF COc1ccccc1Cc1c(-c2ccccc2)nc2cc(C)c(Br)c(C)n12 95564431 RMUCHWYEYPQFDJ-UHFFFAOYSA-N 421.338 5.980 0 3 HKAF COc1cc(O)cc(O)c1C(=O)[C@@H]1CC=C(CCC=C(C)C)C[C@H]1c1ccccc1 13410503 YYSABONYZSVCIV-YADHBBJMSA-N 406.522 6.156 0 1 HKAF biogenic Clc1cccc(Nc2cncc(-c3cncc(NCCCN4CCCCC4)c3)n2)c1 13648403 SQOMHHDPYUXRBG-UHFFFAOYSA-N 422.964 5.224 0 1 HKAF CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C[C@H]2[C@H](OC(=O)C=C(C)C)CC[C@H](C)[C@]12C 15220191 OJCKWSZQHKHHHR-DMTGPLMPSA-N 414.542 5.625 0 1 HKAF biogenic CC(C)CCC[C@]1(c2ccccc2)CC(=O)[C@@H](SCCc2ccccc2)C(=O)O1 18102213 GLFAMZFRRNQVRB-ILBGXUMGSA-N 410.579 5.569 0 1 HKAF c1ccc(CNc2ccccc2-c2csc(Nc3ccc4c(c3)OCCO4)n2)nc1 28570740 NESFZPLMSLHLTM-UHFFFAOYSA-N 416.506 5.332 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H]1C(=O)CCC[C@@H]1O 28952478 PUKOUYGWBQZNRB-SPGNQWLXSA-N 416.602 6.158 0 1 HKAF CCC[C@@H](CN[C@@H]1COc2ccccc2SC1)CSc1ccccc1OC 38447855 LXJJADVJFPDNAQ-ZWKOTPCHSA-N 403.613 5.347 0 1 HKAF O=C(c1ccc2c(c1)OCO2)[C@@H]1c2ccccc2-c2ccccc2N1C(=O)c1ccco1 40974816 HLHKJMKJKCJINP-DEOSSOPVSA-N 423.424 5.260 0 1 HKAF COc1ccc(CN2CCC(CNCC(c3ccccc3)c3ccccc3)CC2)cc1 45194190 HESBLJUEAXWBLV-UHFFFAOYSA-N 414.593 5.329 0 1 HKAF CCCOc1ccc(Oc2ccc(-c3ccc([C@@H](C)NC(=O)C(C)C)cc3)cc2)cc1 45259889 HQBFQVIUPTYFMW-HXUWFJFHSA-N 417.549 6.768 0 1 HKAF CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1nc2c(C)cccc2[nH]1 51065568 JKFZDIOUSVLQIK-QUCCMNQESA-N 410.308 5.854 0 1 HKAF Cc1ccc(CNc2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccccc3F)n2)o1 82150433 CHRYSJGPHALMJM-QVKFZJNVSA-N 422.504 5.105 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCc3ccccc3C)ncnc21 82180121 UVOQAQWKFUZGBR-QGZVFWFLSA-N 415.541 5.469 0 1 HKAF CN1[C@@H]2CC[C@@H]1CC(O[C@H](c1ccc(F)cc1)c1ccc(Br)cc1)C2 100834203 UYDBIVZVAQJVFB-SBHAEUEKSA-N 404.323 5.319 0 1 HKAF CCN[C@H](c1ccccc1-c1cn(-c2ccccc2)nc1-c1ccc(C)cc1)C(C)C 103184226 LHGFTPCSJJDEKV-MHZLTWQESA-N 409.577 6.821 0 1 HKAF CCOc1ccccc1N1[C@H](c2ccccc2)[C@]12C(c1ccccc1)=Nc1ccccc12 103276172 XTIDSQHPZXFIHY-TUPFJZFKSA-N 416.524 6.677 0 1 HKAF O=[N+]([O-])c1ccccc1CN(c1cc2ccccc2s1)S(=O)(=O)c1ccccc1 115234265 SEIDPXJXAPHANX-UHFFFAOYSA-N 424.503 5.205 0 1 HKAF C[C@H]([C@H](O)CCC(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118932686 SWBPHHNEYRLOHW-LJUDWDCXSA-N 416.690 6.750 0 1 HKAF Cc1cc(-c2cc(F)c3nnc([C@@](C)(F)c4ccc5ncccc5c4)n3c2)sn1 144487187 FVLLNQSZSCOJJU-NRFANRHFSA-N 407.449 5.082 0 1 HKAF C/C=C(/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 255257478 OZNMJHSEUFVTTG-LTUFDPHHSA-N 408.670 7.641 0 1 HKAF CCn1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)c(=O)c2cc(C(C)(C)C)ccc21 299841311 ZDMCHEAJHDFNBT-UHFFFAOYSA-N 404.554 5.869 0 1 HKAF CN(Cc1ccc(Cl)cc1Cl)C1CCN(Cc2cnc(Cl)s2)CC1 299867855 YXJGDLLADPVXOM-UHFFFAOYSA-N 404.794 5.200 0 1 HKAF Brc1cc2[nH]c(-c3occ4c3CCC4)nc2cc1OCc1ccccc1 586905553 TZSSZNZARKHQTO-UHFFFAOYSA-N 409.283 5.653 0 1 HKAF Cc1cc2nc(COc3ccccc3C3SCCS3)[nH]c2cc1Br 587041394 NJDFQSAXEPJAKN-UHFFFAOYSA-N 421.385 5.691 0 1 HKAF CNc1cccc(-c2cccc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c2)c1 587235865 RCKIVRIEJFGOMU-UHFFFAOYSA-N 417.818 6.491 0 1 HKAF Cc1c(Br)ccc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c12 587240589 KXROYDFENNSIJB-UHFFFAOYSA-N 418.291 5.353 0 1 HKAF CC1(C)CCc2ccccc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351502 KBISYYYXSQENFV-RPLLCQBOSA-N 416.492 6.148 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCC[C@@H]1c1ccccc1C(F)(F)F)O2 587383384 WMQKPMJHNMAGNC-VGSWGCGISA-N 403.444 6.048 0 1 HKAF CCCOc1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1Br 587456066 KBSVTLGPTIMJIK-FQEVSTJZSA-N 419.315 5.603 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](C1(c3ccccc3Cl)CCOCC1)CC2=O 587460975 ICSYPPVCGYUQBN-NRFANRHFSA-N 400.902 5.080 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccnc3c(Br)cccc13)CC2=O 587461772 YYJYEWVBSOJCMT-LJQANCHMSA-N 412.283 5.362 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(=O)O)cc3F)cc1)CC2=O 587468312 WEERMEIEPQPJOE-QHCPKHFHSA-N 420.436 5.556 0 1 HKAF Cc1ccc(-c2cccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1Cl 587509581 VIEAEAPUFLBVTR-HHHXNRCGSA-N 416.948 7.075 0 1 HKAF Cc1ccc([C@]2(c3oc4ccccc4c3N)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587509782 IZAGTQUDSYNMJI-NDEPHWFRSA-N 423.512 6.111 0 1 HKAF Cc1cc(O)c([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587510445 YZXIKGNSEQTLGS-AREMUKBSSA-N 418.920 6.142 0 1 HKAF Cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587524084 JEZCGSGNVSYFEE-VWLOTQADSA-N 409.526 5.346 0 1 HKAF COc1ccc2c(c1)OC(c1ccccc1)=C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587531145 IRVWCGDGIGBULY-MUUNZHRXSA-N 424.496 5.868 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OC(F)(F)F)c1F 587554102 HDWZQVUUDMWZGE-OXQOHEQNSA-N 420.314 5.133 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(N2CCCCC2)c1 587597017 TZPCBRZEWNSUQF-WIOPSUGQSA-N 401.462 5.085 0 1 HKAF CC(C)[C@@H]1CCc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587601994 GNPJMMPZRITPDG-FPDDQMOCSA-N 400.474 5.468 0 1 HKAF Clc1ccccc1-c1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 587621993 STUXLCMMMSWTNP-UHFFFAOYSA-N 422.713 6.794 0 1 HKAF Fc1cccc(-c2c(-c3ccc(Cl)c(Cl)c3)[nH]c3cc(Cl)c(F)cc23)c1 587630012 DCFLXFPDYHUOKN-UHFFFAOYSA-N 408.662 7.740 0 1 HKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(Oc2ccccc2)cc1 587660126 NROJOUWQIXRAAA-UHFFFAOYSA-N 408.432 5.984 0 1 HKAF CCCCOc1cccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587660146 ODIINJCFEJYQOP-UHFFFAOYSA-N 416.452 5.070 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3ccnc3)cc2Cl)N1 587694859 MNIGLSSHBNPTTK-NSPYISDASA-N 420.713 5.051 0 1 HKAF C/C(=C\c1cc(Cl)ccc1O)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587704453 UMSCKQGIVSEIQS-IAFAEDHGSA-N 410.714 5.626 0 1 HKAF CCc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587709022 HIWSELCFVNWJSY-VOJFVSQTSA-N 416.256 5.491 0 1 HKAF COc1cc(C(F)(F)F)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587714150 VEODZZQOGBINPS-XYZCENFISA-N 418.228 5.239 0 1 HKAF CC(=O)c1cccc(CC[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F 587730772 YAGNGUGOATUGSQ-APPDUMDISA-N 408.286 5.138 0 1 HKAF CC(=O)n1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587760136 XNLKEGSJWZFXEZ-QKVFXAPYSA-N 415.306 5.001 0 1 HKAF Cc1cc(C)c2[nH]c(C)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587800166 APVIFHBRCFUNAQ-QKVFXAPYSA-N 401.323 5.618 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](Oc3ccccc3)C2(C)C)N1 587806854 BGDJFNXKMANLRG-JRQSSSKMSA-N 404.323 5.195 0 1 HKAF CC[C@@]1(c2ccc(-c3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587813193 MZNICOAFJIYVDD-GYCJOSAFSA-N 424.357 6.443 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccccc3)cc2)N1 587813473 DBWPMQVVAVDYCB-WNSKOXEYSA-N 410.330 6.053 0 1 HKAF CC(=O)c1c(C)cc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587815061 KCHDGWSKMJRGRD-XUSGNXJCSA-N 404.323 5.340 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2SC(C)(C)C)N1 587838115 BGNGOJPCYZGCGD-HXPMCKFVSA-N 408.380 6.102 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccc(C)c(C)c1 587862547 REOHZOQLSQHSIE-HNNXBMFYSA-N 418.415 5.302 0 1 HKAF CSc1ccc(-c2csc(-c3ccccc3I)n2)cc1 587924847 LXEQESNBHNLIAS-UHFFFAOYSA-N 409.317 5.804 0 1 HKAF CCOc1ccc(F)c(F)c1[C@@H]1c2ccccc2C[C@@H]2CN(c3ccccc3)CCN12 962643989 QUENTYQPTUBHJF-IBVKSMDESA-N 420.503 5.200 0 1 HKAF Cc1sc2c(c1C)CCN[C@@]21C=C(Nc2ccccc2)C[C@H](c2ccccc2)C1 963016917 CVJJJIAGGLOROP-LVXARBLLSA-N 400.591 6.280 0 1 HKAF CC(C)(C)OC(=O)NCC1CCC([C@H]2c3ccc(F)cc3C[C@H]3CCCN23)CC1 963105038 IRSURYRKAOELSE-SYYRQRMVSA-N 402.554 5.218 0 1 HKAF FC(F)(F)[C@]1(c2ccc(Cl)c(Cl)c2)NCCc2c(Cl)cc(Cl)cc21 963127237 ZYBKRXHLWKWKGH-OAHLLOKOSA-N 415.069 6.252 0 1 HKAF CN(Cc1ccc(F)cc1)c1cc([C@@H](Nc2ccc(F)cc2)C(F)(F)F)ncn1 1772631912 ILVOPPAHUXZDLM-LJQANCHMSA-N 408.374 5.107 0 1 HKAF O[C@H]1CN[C@H](COCCCCCCCCC/C=C/c2ccc(-c3ccccc3)cc2)C1 1857537338 HCNPWSNTLQGVGJ-MUEDGKAESA-N 421.625 6.227 0 1 HKAF CC(C)N1CCC(N(Cc2ccccc2)C(=O)c2c(Cl)cccc2Cl)CC1 1857547437 BLRQKEXLBJHPGJ-UHFFFAOYSA-N 405.369 5.509 0 1 HKAF COc1ccc(C(=O)Nc2cncc(-c3cc(-c4cccnc4)cs3)c2)c(F)c1 1857775087 BASNKHQROPDRRG-UHFFFAOYSA-N 405.454 5.272 0 1 HKAF CC(C)=C[C@@H]1C[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2Cc4c([nH]c5ccccc45)[C@]23C)O1 2356527112 WQLADPPAYVUSAB-HCEMTYFKSA-N 403.610 6.938 0 1 HKAF CCC[C@@H]1[C@]2(C)C[C@H](O)[C@H]([C@H](C)N(C)C)[C@]2(C)CC[C@]12C[C@@]21CC[C@@H](N)C(C)(C)C1 2356583472 UVVUDBUSZSDPJI-ODEGYIRQSA-N 418.710 5.454 0 1 HKAF CC=C(C)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CC[C@H](C)CC(=O)O)[C@](C)(O)CC[C@H]21 2356668895 FRGMVGYYKMAOOX-SDRHTPNUSA-N 422.606 5.361 0 1 HKAF C[C@@H]1[C@H]2[C@H]3CC[C@H]4[C@](C)(CC[C@H]5C(C)(C)CCC[C@]54C)[C@]3(C)CC[C@@]2(C)CC[C@H]1C 2356706036 OOTXFYSZXCPMPG-LTXMMZLUSA-N 412.746 9.134 0 1 HKAF CC(=CCCC(=CC(=O)O)C(=O)O)CCC=C(C)CC[C@@H]1[C@@H](C)C(=O)CCC1(C)C 2356792971 KDHQVPXRPYDYFP-TZIWHRDSSA-N 418.574 5.957 0 1 HKAF CC(C)c1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCC(C)(C)CO)cc1 773650 MPHCXBSHCXHGLU-UHFFFAOYSA-N 410.489 5.019 0 1 HKAF CCCN(CCC)CCCCOc1ccc(/C=C/c2nc3ccccc3s2)cc1 3781650 YVDVRBKOJZYTRR-DTQAZKPQSA-N 408.611 6.748 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1c2ccccc2OCc2ncccc21 13735311 NHSICSWNBSOOTD-DEOSSOPVSA-N 400.522 5.991 0 1 HKAF c1ccc(Cn2cc[n+]3c2[C@H]2c4ccccc4[C@@H]3CC2(c2ccoc2)c2ccoc2)cc1 13741381 ZSGXEXDVGCYEDI-IZZNHLLZSA-N 419.504 5.435 0 1 HKAF Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1[C@@H](C)CN1CCOCC1 13742565 UALAOOODMWJBTC-IBGZPJMESA-N 412.533 5.227 0 1 HKAF CCCN(CCC)CCc1cc(Br)ccc1OCCCc1ccccc1 13795759 BSDLWPJRXGTLSE-UHFFFAOYSA-N 418.419 6.125 0 1 HKAF C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(-n4ccc(=O)cc4)cc3)ccc2c1 13983238 AFPODXVEPNVDCE-HXUWFJFHSA-N 409.533 5.080 0 1 HKAF CCCC[C@@H](Sc1ccc(OCCCOc2cccc(C)c2C)cc1)C(=O)O 43060456 SPSCEYHKPUTWNP-JOCHJYFZSA-N 402.556 5.887 0 1 HKAF CCCOc1ccc(Oc2ccc(-c3ccc([C@@H](C)NC(=O)CCC)cc3)cn2)cc1 45245597 OADMFFJPIQCVGY-LJQANCHMSA-N 418.537 6.307 0 1 HKAF O=C(NCCSCc1cccc(Br)c1)c1c(Cl)cccc1Cl 49807682 JLSLCHAJTCSCCZ-UHFFFAOYSA-N 419.171 5.419 0 1 HKAF Cc1ccc(-c2nnc(-c3cccnc3)n2Nc2nc3c(Cl)cccc3s2)cc1 64564967 VZLSSZZZOYEPAX-UHFFFAOYSA-N 418.913 5.454 0 1 HKAF C1=C(CCNc2cncc(Oc3ccc(NCc4ccccc4)cc3)n2)CCCC1 82068435 GBQLGCYRDLHFSA-UHFFFAOYSA-N 400.526 6.183 0 1 HKAF CCCCNc1ncc(C(=O)N(CC)Cc2cccc(C)c2)c(-c2cccc(C)c2)n1 82145803 DGDPHSKSXADTLF-UHFFFAOYSA-N 416.569 5.635 0 1 HKAF Clc1ccc([C@H](COCc2ccc3ccccc3c2)Cn2cncn2)c(Cl)c1 103289645 SXCYTHAYFJSRTD-IBGZPJMESA-N 412.320 5.739 0 1 HKAF CC(C)=CCC[C@@]1(C)CCc2c(cc(O)c3c2O[C@H](c2ccc(O)cc2)CC3=O)O1 136920523 VJVGRDMLGWLQOT-OFVILXPXSA-N 408.494 5.634 0 1 HKAF FC(F)(c1ccc(Oc2ncccc2C2CCOCC2)cc1)c1nc2ccccc2[nH]1 142597428 MEDDOFITDRWPHA-UHFFFAOYSA-N 421.447 5.784 0 1 HKAF O=C(O)c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2Oc2ccccc2)cn1 143206003 SEAWCQYTEVZJDD-UHFFFAOYSA-N 403.221 5.131 0 1 HKAF CCCc1ccc(N2C(=O)c3n[nH]c(C(C)(C)C)c3[C@@H]2c2ccccc2OC)cc1 169696768 FALSDNZMYFWPCC-QFIPXVFZSA-N 403.526 5.418 0 1 HKAF CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@H]1c1ccc(-c2ccccc2)cc1 169728293 NPCZTDPKZMXZAZ-LOSJGSFVSA-N 415.533 5.734 0 1 HKAF CC[C@]12CCCN(Cc3ccccc3)[C@H]1c1c([nH]c3ccccc13)[C@H](C(=O)OC)C2 254143406 IBFSIGFORJKEAJ-UGIARPQZSA-N 402.538 5.562 0 1 HKAF COc1ccc(NC(=O)Nc2ccc(Sc3ccnc4ccsc34)cc2)cc1 473117500 ZMFAPJSRMGVMHW-UHFFFAOYSA-N 407.520 6.100 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3cc(Br)ccc3Cl)nc2c1 586980079 HVYQKQUKBMZHNP-UHFFFAOYSA-N 400.501 5.717 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1c([nH]c2ccc(F)cc12)CC3 586988795 QXPWRTLCUAAFSX-UHFFFAOYSA-N 406.416 5.538 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(F)ccc4-n4ccnc4)nc13)-c1ccccc1C2=O 586994734 FDZNAQALCNKCMW-UHFFFAOYSA-N 405.432 5.746 0 1 HKAF CCOc1cc2oc(=O)c(-c3nc4cc(Cl)ccc4[nH]3)cc2cc1Br 586998448 KDCNOJCWDKEFGC-UHFFFAOYSA-N 419.662 5.151 0 1 HKAF Cc1cc(Cl)cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c12 587048596 CSOJPMWJYQXUBU-UHFFFAOYSA-N 403.312 7.665 0 1 HKAF CC(C)COc1cc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2cc1Br 587059331 PNWWUUOCCOBBPF-HNNXBMFYSA-N 422.754 5.256 0 1 HKAF CC(C)(C)c1ccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2c1 587064079 LZXVAVLYLHVUQV-UHFFFAOYSA-N 421.928 5.422 0 1 HKAF C[C@H](Oc1cccc(C(F)(F)F)c1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104417 SZVBBBIRHHIWCV-AWEZNQCLSA-N 419.402 6.605 0 1 HKAF Cc1c(-c2ccc(OC(=O)C(C)(C)C)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587106588 JTTMAXRRNAZBJE-UHFFFAOYSA-N 421.496 6.373 0 1 HKAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587150475 RJFVTIUPAHUJLH-QFIPXVFZSA-N 401.420 5.228 0 1 HKAF COc1cccc(-c2cc(F)cc(-c3nc4cc(F)cc(Br)c4[nH]3)c2)c1 587160463 SQXGETYTVPXOBD-UHFFFAOYSA-N 415.237 5.946 0 1 HKAF Cc1c(-c2nc3cc(Br)cc(F)c3[nH]2)cc(-c2ccc(F)cc2)n1C 587166114 MQLFYKVARYWTIX-UHFFFAOYSA-N 402.242 5.585 0 1 HKAF COc1cc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2cc1Cl 587190684 JETRYAUPBFQLOC-GOSISDBHSA-N 401.894 5.181 0 1 HKAF Nc1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1-2 587338092 QLMDRNHWUIZQPY-RPLLCQBOSA-N 423.443 5.397 0 1 HKAF CCOc1ccc([C@]2(CC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587347554 FEUXUVYDEINCKW-ZCYQVOJMSA-N 406.453 5.594 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCCCC23CCCCC3)[C@@H]1c1ccc(F)cc1 587354708 REATWFYCXMWFMZ-ZEQKJWHPSA-N 408.513 6.544 0 1 HKAF C[C@@]1(c2ccccc2C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358874 YVKWMPFHVDWPAR-AHWVRZQESA-N 402.465 6.073 0 1 HKAF COc1cccc(-c2cc(-c3cccc(Cl)c3O)nc3c2oc2ccccc23)c1 587359593 ZJLCJCOJTZMNLU-UHFFFAOYSA-N 401.849 6.683 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCO[C@@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 587361423 YNUGLJAPNSBXAW-CUYJMHBOSA-N 404.437 5.181 0 1 HKAF CC[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 587383075 VFKTYYSOKYOXJB-GOSISDBHSA-N 417.349 5.886 0 1 HKAF COC(=O)c1cc(F)cc(-c2cccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)c1 587386929 XYTOLFWTKRAKDL-RUZDIDTESA-N 419.452 5.051 0 1 HKAF COc1cccc([C@@]2(c3ccccc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587418403 HBCHMNVRWDTDLJ-DVECYGJZSA-N 406.865 5.048 0 1 HKAF CCCCN(CCCC)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 587427685 FCEWNCNCDZSHMR-NLFFAJNJSA-N 409.526 5.296 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(Br)c[nH]c3c1)CC2=O 587459286 NSGZZCJWTTXEGB-LJQANCHMSA-N 400.272 5.295 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc3ccccc3nc1N1CCCCC1)CC2=O 587474635 IZWFNBZPPLAWBW-DEOSSOPVSA-N 416.521 5.590 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)c1ccccc1)(c1ccccc1)CC2=O 587479362 DCMUNSDNKKOIHM-HHHXNRCGSA-N 414.501 5.869 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(CC)cc21 587487026 YKFTUNBQSYMIGD-MHZLTWQESA-N 412.485 5.361 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)cc(Cl)cc1Cl 587544692 NIXGQSAXROJCSN-PXNSSMCTSA-N 403.217 5.108 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2cccc(F)c2)n1 587573000 UIPBAZCVXLZNCX-UGKGYDQZSA-N 419.433 5.358 0 1 HKAF Cc1ccc([C@@]2(Cc3ccncc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587589561 YFDPOWNNFFYUKB-SHQCIBLASA-N 423.468 5.195 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccc(-c2ccccc2)cc1 587603923 SIXRSOJUTFICAH-RSXGOPAZSA-N 422.480 6.022 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccccc2)n1 587611765 JNILWPHUEAKFNQ-DENIHFKCSA-N 401.443 5.219 0 1 HKAF Cc1cc(Cl)cc2c(NC(=O)OC(C)(C)C)c(CCCCC3OCCO3)[nH]c12 587624643 OIALQAWHSKRQQV-UHFFFAOYSA-N 408.926 5.562 0 1 HKAF CCOC(=O)/C(=C/N(C)C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CC 587625411 HKLOHOMVMAPVSZ-FMIVXFBMSA-N 422.369 5.234 0 1 HKAF CCc1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625706 MJBVEUKJEPODAC-VIFPVBQESA-N 424.385 6.354 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C)cc3O)c(C(=O)c3cccc(F)c3)c2c1 587641493 JJMDXNLFWKTYBA-MRXNPFEDSA-N 401.481 6.733 0 1 HKAF Cc1ccc(NC(=S)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1C 587657695 FCLUVLFYPABSMW-UHFFFAOYSA-N 421.472 5.204 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(F)cc(F)c2)(C(F)(F)F)N1 587709172 IZYAXZVIPCZTSI-VPTHRUTESA-N 424.182 5.207 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(F)(F)F)(c2ccccc2)N1 587709285 KDXAQRRRRKTAJP-DIFFPNOSSA-N 402.229 5.318 0 1 HKAF CC(C)Cn1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 587759382 SVTXOVQNSBVISW-ZUOKHONESA-N 416.338 5.218 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(Cc3ccccc3)CC2)N1 587763920 APNOGNUVVDHPLC-ZHRRBRCNSA-N 417.366 5.004 0 1 HKAF CC(C)COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587795873 SJMAEGIUHDDKJC-QKKBWIMNSA-N 406.339 5.421 0 1 HKAF CCCCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587797050 VHQZHIBGLKALGG-LHSJRXKWSA-N 406.339 5.781 0 1 HKAF Cc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587816530 ZFILTOJJRYNGFK-MWTRTKDXSA-N 410.330 5.723 0 1 HKAF CCc1ccc(CC(C)(C)[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587818247 HALWPWSUOOMYMS-SZNDQCEHSA-N 404.367 5.995 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3nccs3)c2)N1 587852392 GCJHDGKTHKMLMN-ZMZPIMSZSA-N 403.320 5.335 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 587861033 KHRXOAIKICPWSL-HZPDHXFCSA-N 420.818 5.675 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncnc2sc(CC)cc12 587866306 ABRNHOXPHIFUIP-UHFFFAOYSA-N 418.444 5.524 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(COc3ccccc3)n2)cc1 587923024 LVPVKIJHCZMKKW-UHFFFAOYSA-N 400.478 6.677 0 1 HKAF CCOC(=O)CCC[C@@]1(c2ccc(Cl)c(Cl)c2)NCCc2ccc(F)c(C)c21 962087041 BJYRHMFMQBARED-QFIPXVFZSA-N 424.343 5.564 0 1 HKAF Cc1csc2sc([C@@]3(C)c4ccsc4CCN3Cc3cccn3C)c(C)c12 962381590 YQCYNJLGDGSQDW-JOCHJYFZSA-N 412.649 6.301 0 1 HKAF COc1ccc(C[C@@H]2CCC[C@]3(C2)c2cc(OC)c(OC)cc2C[C@H](C)N3C)cc1 962621286 IWQAIKLXHREBST-GCOVDLRRSA-N 409.570 5.217 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(F)cc2)(c2cc(Cl)cs2)N1 962958403 PWFSQXHVLROELY-HXOBKFHXSA-N 410.945 6.238 0 1 HKAF Cn1nc(-c2ccccc2)c2cc([C@@H]3c4ccc(F)cc4C[C@@H]4CCCN43)sc21 963091747 JSZPXWZPCGDELD-MBSDFSHPSA-N 403.526 5.551 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCc1ccc(F)cc1)c1ccc(C)c(C)c1 963231379 QRQIYUXHODYWGH-MUAVYFROSA-N 415.596 6.976 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@H]2c1ccc(-c2ccc(C3OCCO3)cc2)cc1 963269068 FEJVNGKDIFHUNY-DEOSSOPVSA-N 421.924 5.296 0 1 HKAF Cc1nc2cc(Oc3ccc(-c4noc(-c5n[nH]cc5Cl)n4)cc3)ccc2s1 1857549272 BXSJVYOEBQXWGG-UHFFFAOYSA-N 409.858 5.491 0 1 HKAF COc1ccc2ccccc2c1[C@@H]1c2c(n[nH]c2C)Oc2nc3c(c(N)c21)CCCC3 1857752361 VOAWRSAQXWYEAL-NRFANRHFSA-N 412.493 5.022 0 1 HKAF C[C@@H](CCC[C@@H](C)C(=O)O)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356345657 WWAMLGNSINNDPI-YWHSDAJRSA-N 416.646 6.453 0 1 HKAF C[C@@H]1CO[C@H]2C[C@](C)([C@@H]3CC[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]43C)O[C@@H]21 2356433001 RTMWIZOXNKJHRE-KPGXREQXSA-N 416.646 5.589 0 1 HKAF CC1=C(CC[C@H](C)CO)O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]12 2356434281 KIDQUNOGEXTBNB-NAGYDABWSA-N 414.630 5.618 0 1 HKAF CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CC(=O)NCCS(C)(=O)=O 2356482948 CECRDLCMVJASRD-BDTNDASRSA-N 417.700 5.613 0 1 HKAF CC[C@H](C)C=C(C)[C@H](O)[C@@H](C)C=C(C)C=CC=CC=CC=C(C)C(=O)N[C@H](C)CO 2356653210 GDEZZTBHSFKRJN-IODBPXAYSA-N 415.618 5.034 0 1 HKAF Cc1cccc2oc(=O)c3c(c12)O[C@@]1(C(=O)CC(C)C)O[C@H]3[C@@H]2C(=CC[C@@H]2C)[C@H]1C 2356663710 RNMCIHINZSRFRU-TWIPBWHLSA-N 408.494 5.095 0 1 HKAF COC(=O)C[C@H](OC)[C@@]1(CC=C(C)CCC=C(C)CCC=C(C)C)CC(=O)C[C@@H]1O 2356673857 OSIGYNJOJJUONY-LSQMVHIFSA-N 420.590 5.084 0 1 HKAF COC(=O)c1c(-c2ccc(O)cc2)c(-c2ccc(O)cc2)cn1C1=CC=C(O)CC1 2356831622 JRCXJRNFJQKIEL-UHFFFAOYSA-N 403.434 5.097 0 1 HKAF CC(C)=CCC[C@]1(C)C=Cc2c(cc3oc(-c4ccc(O)cc4O)cc(=O)c3c2O)O1 13374702 YLMPUSYATCNAJD-RUZDIDTESA-N 420.461 5.488 0 1 HKAF biogenic O=C1Nc2ccc(Cl)c3c2[C@]1(CCCCN1CC=C(c2ccccc2)CC1)CCC3 13479530 WOSIIVLLLDDXJL-SANMLTNESA-N 420.984 5.826 0 1 HKAF O=C(O)/C(=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccccc1Cl 13609277 UJXMDJBMVHDBFM-JXMROGBWSA-N 410.640 5.452 0 1 HKAF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCC(=O)N(C)C)cc1OC2(C)C 13781725 QGBHDXFADXCURB-WOJBJXKFSA-N 413.602 5.929 0 1 HKAF Oc1cc(O)cc(CCCCCCCCCCCCCCc2cc(O)cc(O)c2)c1 14773833 QUXULJDSRDXUCR-UHFFFAOYSA-N 414.586 6.975 0 1 HKAF biogenic CCCN(CCC)[C@H]1COc2c(cccc2C(=O)c2ccc(C(F)(F)F)cc2)C1 29341511 ONJLWYBUUWLSBG-LJQANCHMSA-N 405.460 5.362 0 1 HKAF C(=C\c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1)\CN1CCCCC1 34776955 VTCNWWJCRSYLPI-CLFYSBASSA-N 418.625 6.108 0 1 HKAF C[C@H](NC(=O)c1cc(Cl)ccc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 35848600 HXOWIUWRSXNBNJ-ZDUSSCGKSA-N 413.832 5.461 0 1 HKAF Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1 35999854 QPJVYLQOALFBLJ-DEOSSOPVSA-N 414.505 5.495 0 1 HKAF in-vitro O=C(O)c1cccc(-c2ccccc2-c2ccc(Cl)cc2OCc2ccccc2)c1 40391924 XAAZGIYGQJXTKJ-UHFFFAOYSA-N 414.888 6.951 0 1 HKAF C[C@]12CC[C@]3(CCC(=O)O3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1 40402400 WNHJVYHUSOTSDL-NBWNZVEYSA-N 400.559 5.181 0 1 HKAF C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)C1CCOCC1 45287750 XIEBKQNZRFBICJ-ZKMPZPQNSA-N 410.533 5.070 0 1 HKAF COc1cc(Nc2nc3cccc(-c4cccc(Cl)c4)c3o2)cc(OC)c1OC 49792951 FZAGFNHIURVENH-UHFFFAOYSA-N 410.857 5.918 0 1 HKAF Cc1ccc(NC(=O)Nc2ccc(Oc3ccc(-c4nccs4)cc3)cc2)cc1 49808208 PXDFVKOGGDGWAF-UHFFFAOYSA-N 401.491 6.555 0 1 HKAF O=C(O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4o3)cc2F)C1 66098096 JJMVINKJGKZWGA-UHFFFAOYSA-N 415.464 5.346 0 1 HKAF CCCCC(=O)OCCc1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O 66099857 WAYPPDBJPUNPLZ-UHFFFAOYSA-N 418.320 5.778 0 1 HKAF CCC(CC)(CNC(=O)C1CCN(Cc2cccc(F)c2)CC1)c1ccc(F)cc1 72114568 CTNOPWMDYLVRGS-UHFFFAOYSA-N 414.540 5.051 0 1 HKAF CC(C)=C[C@@H]1C[C@H](C)[C@H]2CC[C@H](C)c3c2c1c(C)c1nc(-c2ccc(F)cc2)oc31 72122949 MZMXWTCPKIXGRP-ZOGSBNJCSA-N 403.541 8.013 0 1 HKAF COc1ccc(CCN(C)Cc2coc(-c3ccc(C(C)(C)C)cc3)n2)cc1OC 72183233 MQSMQTQOGOSKKA-UHFFFAOYSA-N 408.542 5.331 0 1 HKAF FC(F)(F)c1cc(CNc2cncc(Oc3ccccc3)n2)cc(C(F)(F)F)c1 82068794 FEXHVEFDTWNLJT-UHFFFAOYSA-N 413.321 5.919 0 1 HKAF O=C(Nc1cccc(-c2ccccc2)c1)[C@H](Cc1ccccc1)NCc1cscn1 84688243 RBLZOGOIAYYWJN-DEOSSOPVSA-N 413.546 5.150 0 1 HKAF O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1)c1sccc1-c1cccc(Cl)c1 84690651 PETFWXXCWFKNPI-LJQANCHMSA-N 414.933 5.212 0 1 HKAF CNc1nc(-c2cc(OC)c(OC)c(OC)c2)c(-c2ccc(C(F)(F)F)cc2)s1 95559516 YLJBEIBHGVGDNZ-UHFFFAOYSA-N 424.444 5.563 0 1 HKAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1ncnn1C(C)(C)C 95590691 KJGWTMXMUFOAHU-IAGOWNOFSA-N 403.317 5.016 0 1 HKAF Cn1nc(-c2c(F)cccc2Cl)nc1-c1sc(-c2ccc(O)cc2)cc1Cl 103215297 ZLBZXLYFQPTAOW-UHFFFAOYSA-N 420.296 6.029 0 1 HKAF Cn1cc(C(=O)Nc2ccc(F)cc2Cl)c(Oc2cccc(C(F)(F)F)c2)n1 103294785 WNKWOIZRZJUGOV-UHFFFAOYSA-N 413.758 5.276 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2ccc3c(c2)OCO3)C[C@@H](c2ccccc2)C1 103868087 DZOUCPLVTYOZJJ-DWXRJYCRSA-N 410.473 6.044 0 1 HKAF CSc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3cc4c(cc32)OCCO4)cc1 103890000 RHNAVSMRZKULJU-QFIPXVFZSA-N 407.535 6.030 0 1 HKAF Cc1cccc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)NCC2CC2)c1 105173926 VZRQAPJCKSAJDA-PWZKMPOXSA-N 418.585 5.074 0 1 HKAF CCc1ccc(Nc2nc3cc(NC(=O)c4ccc(OC)c(OC)c4)ccc3o2)cc1 146407896 VOOLDZMGPNPSMY-UHFFFAOYSA-N 417.465 5.403 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCOc1ccccc1 231934518 CZKXOYAPOXVGMG-AVHBIOJASA-N 423.641 7.327 0 1 HKAF NC[C@H]1CC[C@H](c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn32)CC1 261183404 WPBIYAJMSKUXFS-UAPYVXQJSA-N 413.525 5.003 0 1 HKAF CCOc1ccc(OCC)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586990259 BQAVIPQOEUEOKU-UHFFFAOYSA-N 411.457 5.616 0 1 HKAF Cc1ccc2c3c(cc([C@@H](N=O)C(=O)Nc4ccccc4)nc13)-c1ccccc1C2=O 586997578 SXOCZSBNYKWEOM-HSZRJFAPSA-N 407.429 5.201 0 1 HKAF CSc1ccc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 587070789 HXAPEMIQZMRMEZ-IDHPINMPSA-N 403.378 6.958 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(Br)c(C)c2[nH]1 587077588 XHZLDQQEYGECLF-UHFFFAOYSA-N 401.695 5.448 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(F)c(F)cc2[nH]1 587086355 HDUKVSSKSSGJPJ-VOTSOKGWSA-N 419.262 5.872 0 1 HKAF O=C1c2ccccc2-c2cc(Cc3ccc(OC(F)(F)F)cc3)nc3cccc1c23 587102698 DGUQQVRYNQGDJW-UHFFFAOYSA-N 405.375 5.936 0 1 HKAF CCOC(=O)Cc1c(-c2cccc(C=O)c2)nc2cccc3c2c1-c1ccccc1C3=O 587107609 RUESTPCWSOPUNC-UHFFFAOYSA-N 421.452 5.031 0 1 HKAF FC(F)(F)Sc1ccc(/C=C/c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 587125843 UHIOVDJYNWGRLQ-ZZXKWVIFSA-N 422.781 7.017 0 1 HKAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc(Cl)c(C)c3[nH]2)c(O)c1 587240678 OFTIZDWICMLEJD-UHFFFAOYSA-N 405.885 5.387 0 1 HKAF N[C@@H](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1cccc2ccccc12 587258702 IZQGJEWFUKZLSD-INIZCTEOSA-N 423.360 5.996 0 1 HKAF C[C@]1(c2ccc(Cl)nc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327498 GTBZYGDRBUADNY-WIYYLYMNSA-N 418.251 5.507 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cccc(OC)c2CC3)c1 587363362 RXQSDORVJUQIML-UHFFFAOYSA-N 407.469 6.431 0 1 HKAF COc1cccc(-c2cc(/C=C\[C@H]3C(C)=CCCC3(C)C)nc3c2oc2ccccc23)c1 587365430 KTILDYINCXWWOI-LAUMOQQDSA-N 423.556 8.052 0 1 HKAF COc1cccc(-c2cc([C@@H](Cc3ccccc3)C(C)=O)nc3c2oc2ccccc23)c1 587366125 SCYPJGPTNLDVPF-QHCPKHFHSA-N 421.496 6.572 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CSCCc3ccccc32)[C@@H]1c1ccc(F)cc1 587376400 XKSPLEBYVNYOCH-VWNXMTODSA-N 406.478 5.075 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(C(C)C)cc3)nc3ncccn13)O2 587393462 GXLXZEMKLBZUCG-NRFANRHFSA-N 412.493 5.117 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(COc4c(C)cccc4Cl)o1)[C@@H](C2)C3=O 587421976 OLPBFVSDMWWKRU-HJPURHCSSA-N 410.853 5.318 0 1 HKAF CCC[C@]1(c2cc(Br)ccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422016 BPQXSSXIHLRKHA-FOIQADDNSA-N 405.263 5.040 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(O)c(Br)c1)CC2=O 587455795 GEMYTUUSYCLGRM-MRXNPFEDSA-N 411.679 5.173 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-c3ccc(C)c(F)c3)c1)CC2=O 587466981 OQBKPWGPJYIVPH-AREMUKBSSA-N 404.481 6.340 0 1 HKAF O=C1C[C@@](c2ccccc2)(c2ccc3ccccc3c2)Oc2c1ccc1c2CCCC1 587524533 OHNZDOOLTKATFZ-GDLZYMKVSA-N 404.509 6.628 0 1 HKAF CC(=O)c1ccc2c(c1)Cc1cc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc1-2 587526719 XCUMNQVIOMDRPS-LJAQVGFWSA-N 422.524 6.220 0 1 HKAF C[C@@]1(c2c(Cl)ccc(F)c2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552581 AVRFLNSXQCNCKY-UWJYYQICSA-N 419.235 5.715 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)CCC[C@@]31Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589699 PVMNQSKPWZNPGU-GJZUVCINSA-N 411.457 5.375 0 1 HKAF CCCCOc1c(OC)cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599757 ZUEKOVCNFGZEMO-PXDATVDWSA-N 420.461 5.283 0 1 HKAF CCC1CCC(C2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)CC1 587605142 XSOUFDQWHAIBBL-IWJYVYHMSA-N 420.549 6.499 0 1 HKAF Cc1cccc(C)c1NC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660888 IUIWSUMSWAEETE-UHFFFAOYSA-N 403.482 5.065 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(Cl)cc2Cl)N1 587691452 BLWAYEIQABJRFC-MGNBDDOMSA-N 417.149 5.887 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(Cl)c(Cl)c2)N1 587705270 LYRWTSZCQPBZHL-ZKANADHPSA-N 404.110 5.088 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2C(F)(F)F)N1 587714558 VXWNEQSUAVNSEB-BCTVWOGZSA-N 406.192 5.370 0 1 HKAF COc1ccc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 587804762 BRGFHEPEYOEJJQ-LAJNKCICSA-N 400.291 5.374 0 1 HKAF CCCCCc1ccc([C@@]2(CC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587809832 BGVXQXZSVZULRW-QMHKHESXSA-N 418.394 6.509 0 1 HKAF CCCCC/C(=C/c1ccccc1)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587821569 VWMIMKRKFJTCHO-BZWSVIRISA-N 416.378 6.827 0 1 HKAF CSc1ccc2c(c1)CCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587848793 XXRXUHZBAMHSMI-MPBGBICISA-N 406.364 5.424 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc2c(=O)[nH]ccc2c1 587859584 FUDCCCOIUFBXRR-UHFFFAOYSA-N 400.265 5.086 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2coc3cc(Br)ccc3c2=O)N1 962947916 CTGRWQRTOVKBBO-ASSNKEHSSA-N 423.310 5.051 0 1 HKAF C[C@H]1c2ccccc2N(C(=O)c2ccccc2)C[C@@H](C)N1C(=O)NCc1ccccc1 1772620854 CPMICTQRRSBYDM-UXHICEINSA-N 413.521 5.008 0 1 HKAF Brc1cc(Br)cc(-c2cccc3oc4ccccc4c23)c1 1772630383 XQLQXVXZNCSSNZ-UHFFFAOYSA-N 402.085 6.778 0 1 HKAF O=C(O)CCCNCc1cc2cccc(-c3cccc(-c4ccccc4)c3)c2s1 1772646640 WAKDBPOCXFMNBD-UHFFFAOYSA-N 401.531 6.190 0 1 HKAF COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1[C@H](CC(=O)O)c1ncc(C)s1 1772653356 IEYRAJYPAQOVLP-KRWDZBQOSA-N 421.440 5.753 0 1 HKAF O=C(Cc1ccc(Oc2nc3ccccc3s2)cc1F)NCCc1ccccc1F 1857597681 YFIAGDNCBFTQHK-UHFFFAOYSA-N 424.472 5.268 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@@H]1CC=C2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857601605 TZMNZSROTXXMLX-PNILWBGMSA-N 400.691 7.635 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@H]4C(=O)[C@@](C)(CC[C@@H]4O)[C@@H]3CC[C@@]21C 2356333745 VPKWIKLBCGVCGU-DLLSBEPUSA-N 414.630 5.459 0 1 HKAF C[C@H]1CCC([C@H](C)[C@@H]2[C@H](O)C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1 2356585194 HFOSABNORYNULM-PPCKUJLFSA-N 415.662 5.484 0 1 HKAF CCCCC[C@H](O)C[C@H](CCc1ccc(O)c2c1CC[C@@H]1CCC[C@@H]1O2)OC(C)=O 2356772866 KZNRSMJFGRHLFU-CIEVZJJWSA-N 418.574 5.082 0 1 HKAF Clc1cccc(-c2nc3ccc(Br)cn3c2Cc2ccsc2)c1 72103769 GZHUTUPYJRWESG-UHFFFAOYSA-N 403.732 6.070 0 3 HKAF CC(C)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(-c2ccccc2)cc1 2482907 RJQZSJOJPGWHDI-UHFFFAOYSA-N 400.453 5.953 0 1 HKAF COc1cccc(OC)c1[C@@H]1ON=C(c2ccccc2)N1C12CC3CC(CC(C3)C1)C2 6424731 JNKXQNREVLZZMV-IPABLOIBSA-N 418.537 5.365 0 1 HKAF CCCN(CCC)c1nccn2c(Nc3ccc(Cl)cc3Cl)nc(CC)c12 13437361 ZEKCABDGNPZNKX-UHFFFAOYSA-N 406.361 5.969 0 1 HKAF COc1cccc(-c2cc(OCCCC[C@@H](C)C(=O)O)nc(-c3ccccc3)c2)c1 13729764 CLCYPUVDBPCOQP-GOSISDBHSA-N 405.494 5.694 0 1 HKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCN(C(=O)CN)C=C21 26258942 FUOPUFUPGVAHIK-QKLQHJQFSA-N 414.590 5.031 0 1 HKAF Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)c(Cl)n2C1CCCC1 26274815 KNDIBTBKZBMNBL-UHFFFAOYSA-N 404.901 6.241 0 1 HKAF COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(SC)cc2)cc1 27195671 WJGXDQLSFQHUIG-JWQCQUIFSA-N 417.574 6.144 0 1 HKAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](SCC)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC 27998554 TUZIQBBNQXRODW-SAIWXWETSA-N 410.620 5.100 0 1 HKAF CC(C)(CCCCCCCCOc1ccc(CCCCc2ccccc2)cc1)C(=O)O 28225399 QUTBQFXCEDBHQF-UHFFFAOYSA-N 424.625 7.472 0 1 HKAF CCCCOc1ccc(C(=O)n2c(C)c(CCCC(=O)O)c3cc(OC)ccc32)cc1 28376048 OGNGNXGCXSFDBN-UHFFFAOYSA-N 423.509 5.233 0 1 HKAF CCCCCn1cc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc21 28864429 NEYOZOJLARBVRA-MBBDBFLNSA-N 420.597 5.526 0 1 HKAF Cc1ccc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)cc1 28885580 SHAFCOFWNARKDQ-RRPNLBNLSA-N 404.598 5.532 0 1 HKAF CCN(c1cccc2ccccc12)[C@H]1CCCc2nc(-c3ccsc3)cc(OC)c21 29053412 OSNIJNJHNMGELQ-DEOSSOPVSA-N 414.574 6.876 0 1 HKAF COc1cccc([C@H](c2ccc(OCCN3CCCCCC3)cc2)c2cccs2)c1 29130706 ZNLVRWHFLMUQKH-SANMLTNESA-N 421.606 6.192 0 1 HKAF COc1cccc2c1-c1ccc3c(c1[C@@H]([C@@H]1C=CCCCCC1)O2)C(C)=CC(C)(C)N3 29467911 NYZPSKBMSBIASN-XHCCPWGMSA-N 415.577 7.540 0 1 HKAF CC[C@@](O)(c1cn(Cc2ccc3c(-c4ccccc4)csc3c2)nn1)C(F)(F)F 34986857 OAPVSBAGXAEPFZ-HXUWFJFHSA-N 417.456 5.368 0 1 HKAF CCCCCCc1c2c(c(CCCCCC)c3c1Oc1ccccc1O3)C(=O)OC2 35090767 SDUCISSFGZSTKK-UHFFFAOYSA-N 408.538 7.501 0 1 HKAF CC(C)[C@H](C)Nc1cc(-c2[nH]c(SCCCO)nc2-c2ccc(F)cc2)ccn1 40391388 PKGCSMGQINZWAE-HNNXBMFYSA-N 414.550 5.209 0 1 HKAF COc1ccc(SC2=C3CC[C@@H]4[C@H](CC[C@@]5(C)C(=O)CC[C@H]45)[C@@]3(C)CCC2=O)cc1 40810539 NDBWGWXGXUQIEU-ULDDYYNKSA-N 424.606 6.216 0 1 HKAF O[C@@H](c1cccnc1-c1cccc(Cl)c1Cl)C(c1cccnc1)c1cccnc1 43153055 MONUPDKEKDGEQN-QHCPKHFHSA-N 422.315 5.711 0 1 HKAF COc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCc1ccccc1)[C@@H]3c1ccc(C)cc1 45353016 ROOJSARCRWDMSO-MUUNZHRXSA-N 424.544 5.592 0 1 HKAF CC(=O)SCC[C@@H](CCCCC(=O)Nc1cccc(Cl)c1)SC(C)=O 49069026 MSWZPORMXNHYNN-QGZVFWFLSA-N 401.981 5.157 0 1 HKAF CCN(CC)C(=S)S[C@@H](CC(=O)c1ccc(OC)cc1)c1ccc(OC)cc1 49799671 ITSPIDRRVNWQTM-NRFANRHFSA-N 417.596 5.378 0 1 HKAF O=C(OCc1ccccc1)N1CC[C@H]2C[C@@H]1c1cc(NCCc3ccccc3)ccc12 61943061 JURUHTNYTBTIQN-BKMJKUGQSA-N 412.533 5.912 0 1 HKAF O=C(Cn1c(C(=O)c2ccc(Cl)cc2)nc2ccccc21)c1ccc(Cl)cc1 66074842 SJTWJJUMEHPMIB-UHFFFAOYSA-N 409.272 5.457 0 1 HKAF CC(C)=CCc1cccc([C@@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)c1O 66123507 SWLGFCRAFOKHQK-QFIPXVFZSA-N 408.494 5.527 0 1 HKAF biogenic,in-vitro Cc1cc(-c2cc(F)cc(Cl)c2)ncc1[C@H]1CCCN1C(=O)c1cncs1 72176662 UBRMZMFBOXCPPA-GOSISDBHSA-N 401.894 5.283 0 1 HKAF C[C@H]1C[C@@H](Nc2cncc(Oc3ccc(NCc4ccccc4)cc3)n2)CC(C)(C)C1 82068735 CLHNYUDXQVEADA-SIKLNZKXSA-N 416.569 6.508 0 1 HKAF CC[C@H](C)Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2F)n1 82175967 MGXXHLKDCFLAJY-HNNXBMFYSA-N 404.514 6.284 0 1 HKAF Cc1cnc(-c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2ccco2)o1 82219761 DEAVFQVIRHTIJY-UHFFFAOYSA-N 400.360 5.331 0 1 HKAF C[C@@H](Oc1c[nH]c(=O)c(C(=O)Nc2ccccc2)c1)c1c(Cl)ccc(F)c1Cl 96258162 OUEBJJYTKIGEHU-LLVKDONJSA-N 421.255 5.213 0 1 HKAF Cc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)sc2ccccc12 115233485 QXXGPVYDZMIQON-UHFFFAOYSA-N 415.458 5.075 0 1 HKAF CC[C@@H](Nc1ccc(C)c(CNC[C@@H](C)C(=O)O)c1)c1cc(C)c(Cl)c(C)c1 118393084 RZIWBAYBSONRSN-DYESRHJHSA-N 402.966 5.639 0 1 HKAF CC(=O)c1ccc(OCc2ccccc2)cc1O[C@@H](CCC(=O)O)c1ccccc1 140522269 GWPUVRXZIAEMEQ-QHCPKHFHSA-N 404.462 5.453 0 1 HKAF Cc1ccc(-c2[nH][nH]c(=O)c2Cc2c(O)ccc3cc(-c4ccccc4)ccc23)cc1 169311764 QTHNHFXMMJFBBH-UHFFFAOYSA-N 406.485 5.795 0 1 HKAF Cc1ccc(Nc2nc(C[C@@H](C)NC3CC(C)(C)NC(C)(C)C3)ns2)cc1Cl 219194698 NTMZDLWXKAFGBS-CQSZACIVSA-N 422.042 5.073 0 1 HKAF C[C@H](CN1CCCC[C@H]1CC1CCCCC1)c1cccc([C@H](C)c2ccccc2)c1 299808146 OREMYNOLMRLGSV-CWHUZLPRSA-N 403.654 7.767 0 1 HKAF C1=CN2CCCCN3C=CC(=NCCCCCN=C1c1ccccc12)c1ccccc13 377756199 AICVSFQIONNJHX-UHFFFAOYSA-N 410.565 5.597 0 1 HKAF COC(=O)c1cc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c(F)c1Nc1ccccc1 586882949 DEMORYCAFHQPRE-IEKFMOERSA-N 419.500 5.700 0 1 HKAF CC(C)CCOc1cc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2cc1Br 586904904 WOKHEBKUWGTQHC-BEFAXECRSA-N 415.331 5.319 0 1 HKAF O=S(=O)(/C=C\c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1ccccc1 586924549 RZCISQPVQHPNRN-SREVYHEPSA-N 420.334 5.045 0 1 HKAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)cc1 586951373 YVGDKCNOOZRLMP-UHFFFAOYSA-N 407.495 5.172 0 1 HKAF Cc1cc(F)c2[nH]c(-c3ccccc3OCc3ccc(Br)cc3)nc2c1 586998707 NYHHNJAKCDLEIO-UHFFFAOYSA-N 411.274 6.019 0 1 HKAF Clc1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c(Cl)n1 587014021 HAFFGTCKRBNIBV-UHFFFAOYSA-N 416.120 6.362 0 1 HKAF COc1cc(OC)c2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc2c1 587015632 TTXLPBIEQSLSDV-UHFFFAOYSA-N 406.294 5.677 0 1 HKAF FC(F)(F)Oc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Cl 587040584 IDTQTBYWPLBWIQ-HOCLYGCPSA-N 413.852 5.061 0 1 HKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(Cl)ncc(Br)c2[nH]1 587065957 AKOYDNCYAQEEGK-UHFFFAOYSA-N 422.113 5.793 0 1 HKAF Cc1cc(Cl)ccc1OCCCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587067178 WYJOPIKOAVBXCK-UHFFFAOYSA-N 419.781 5.585 0 1 HKAF COC(=O)c1cccc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 587072016 OQAYTCQBZVSIPB-FXUSHXQNSA-N 415.320 6.022 0 1 HKAF O=C(O)CCCc1c(-c2ccc(F)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587102693 DGKYRGUCCWCSJI-UHFFFAOYSA-N 411.432 5.660 0 1 HKAF Fc1cc(Br)cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 587128311 JHCVXVIFILLXCT-UHFFFAOYSA-N 424.245 6.193 0 1 HKAF Fc1c(F)c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c(F)c(F)c1S 587134222 KLHZXPDAAYVQAI-UHFFFAOYSA-N 413.140 5.116 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c(F)c1 587145384 UYYDQVNJECQFMQ-UHFFFAOYSA-N 416.239 5.744 0 1 HKAF Fc1cc(C(F)(F)F)c2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc2c1 587150847 TZPYWNWHDGRNEX-GOSISDBHSA-N 403.354 6.061 0 1 HKAF Cc1c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc(-c2ccc(F)cc2)n1C 587165908 GEGOMRCPBUXIIL-UHFFFAOYSA-N 420.232 5.724 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(F)c(Br)c2[nH]1 587235381 KNAWDLRHHRKVEA-ZYHUDNBSSA-N 412.303 5.015 0 1 HKAF COc1ccccc1Nc1ccccc1-c1nc2ccc(Br)c(O)c2[nH]1 587240576 FZZYDJHRUJUWSO-UHFFFAOYSA-N 410.271 5.450 0 1 HKAF CC1(C)CCc2ccccc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351509 KBISYYYXSQENFV-SHQCIBLASA-N 416.492 6.148 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCCCC23CCCCC3)[C@H]1c1ccc(F)cc1 587354706 REATWFYCXMWFMZ-JYFHCDHNSA-N 408.513 6.544 0 1 HKAF CCc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2ccccc12 587356514 PSLGKNJEGKYLTO-OZXSUGGESA-N 416.448 6.114 0 1 HKAF CC(C)Sc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587369325 FXCVFQKNTCSONB-UKILVPOCSA-N 422.521 6.306 0 1 HKAF COc1ccc(Sc2ccccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587453888 VAWFGOULFUMFSA-NTKDMRAZSA-N 404.487 5.344 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(=O)OC)cc3)o1)CC2=O 587475760 ACGYWZNQDNWBHE-JOCHJYFZSA-N 406.434 5.098 0 1 HKAF Cc1noc(C)c1COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587528338 XKWQNXBLNRMNNP-XMMPIXPASA-N 403.478 5.456 0 1 HKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1C(F)(F)F 587549772 ROHRSFWBPDYLCT-WIYYLYMNSA-N 400.352 5.422 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccc(F)cc2)s1 587572034 QKYGYSKORWVESJ-KNQAVFIVSA-N 419.433 5.358 0 1 HKAF C[C@@]1(c2ccc3c4c(cccc24)CC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600706 BVXHALIGVPNXPA-SQHAQQRYSA-N 408.453 5.521 0 1 HKAF Cc1ccccc1-c1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603027 MMUHEQMLVNVFGY-RPLLCQBOSA-N 408.453 6.071 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(SC2CCCCC2)o1 587611930 HQASVYRTIXGQJH-ZJSXRUAMSA-N 422.502 6.113 0 1 HKAF COC(=O)C(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]c2ccc(F)c(Cl)c12 587628366 MIGQNGBLLJBGPQ-UHFFFAOYSA-N 400.620 5.290 0 1 HKAF COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccc(Cl)c(Cl)c1 587628943 VZDCRAPXLZZMMJ-UHFFFAOYSA-N 400.620 5.285 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3c[nH]c4ccccc34)c(N3CCC(N(C)C)CC3)c2c1 587641562 HMTSOCUGWBMNQZ-SFHVURJKSA-N 414.597 6.360 0 1 HKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)Nc1ccc(Cl)cc1 587662376 ZDKHYORGHPPDMI-UHFFFAOYSA-N 409.873 5.101 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2C(F)(F)F)N1 587711263 JHCFDDRSFQXYOI-BTDLBPIBSA-N 402.229 5.405 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3c(F)cccc3F)o2)N1 587714490 ABQCUXQXYNTECA-SBKAZYGRSA-N 422.244 5.750 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2Br)N1 587727739 PMBSGBUQEVCVDB-PWJLMRLQSA-N 417.091 5.113 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2-c2ccc(F)cc2)N1 587735449 PXDQEURTZFHDKQ-GTJPDFRWSA-N 415.281 5.413 0 1 HKAF Cc1ccc(-c2nc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)co2)cc1 587775917 UZMJWZJKXNTONO-BLVKFPJESA-N 401.279 5.175 0 1 HKAF Cc1cccc2c3c([nH]c12)[C@]1(CCC3)N[C@H](C)Cc2ccc(F)c(Br)c21 587800567 BRGGZLDCVNDMGM-MCMMXHMISA-N 413.334 5.492 0 1 HKAF CC(C)[C@@]1(c2ccc(C(C)(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587813896 QKVDESJVXFOUPE-CMJOXMDJSA-N 418.394 6.320 0 1 HKAF Cc1ccc(-c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587820097 OVDFOXBANYWPIQ-CMJOXMDJSA-N 410.330 6.187 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1ccc(F)cc1F 587860657 BRLJTWUXJRIQTE-UHFFFAOYSA-N 413.371 5.101 0 1 HKAF COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 618016718 IHUUKTIMCAHMQE-XMMPIXPASA-N 416.521 5.898 0 1 HKAF COc1ccc2c(c1OC)[C@@](c1ccnc(Cl)c1)(C1CCCC1)N(C)[C@H](C)C2 962624146 DPGVVKLZOJEGBZ-CMJOXMDJSA-N 400.950 5.062 0 1 HKAF CCN(CC)CCOc1ccc([C@@H]2NCCc3cccc(-c4ccccc4)c32)cc1 962664786 PQVFHSYAJSYKFR-MHZLTWQESA-N 400.566 5.309 0 1 HKAF Cc1ccc2c(c1)[C@@]1(C=C(c3ccccc3Cl)O2)NCCc2nc3ccccn3c21 962988377 YDOZKWHDPCZZRD-RUZDIDTESA-N 413.908 5.119 0 1 HKAF CC(C)c1ccc(C2=C[C@@]3(NCCc4c(C(=O)O)cccc43)c3ccccc3O2)cc1 963128958 CAGRUTDTKOARGQ-MHZLTWQESA-N 411.501 5.331 0 1 HKAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1c(C(C)(C)C)[nH]c2c(C)ccc(F)c12 963639347 UYDSTRDWMGFWJW-QKFKETGDSA-N 410.533 5.554 0 1 HKAF Fc1ccccc1Nc1ncnc2c1[C@@H](c1ccccc1)c1ccc3ccccc3c1O2 1772634774 WOVIEAOYKYEDQI-QHCPKHFHSA-N 419.459 6.798 0 1 HKAF Oc1ccc2cc1Oc1ccc(cc1)CCc1ccccc1Oc1cccc(c1)CC2 1772645384 XRXOTAQNCYFDAC-UHFFFAOYSA-N 408.497 6.861 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)C[C@@H]1C[C@H]3O 2356342081 HWOOALPDOJHOPO-VSRLRJSTSA-N 402.663 6.648 0 1 HKAF CC(C)CC[C@@H]1C[C@H](Cc2ccc(O)cc2)C[C@@H]([C@@]23CC[C@@H]([C@@H](N)C2)C(C)(C)O3)C1 2356369985 KHUUTQFLJGKBMD-DQCFYTIPSA-N 413.646 6.078 0 1 HKAF CC(C)[C@@H]1CC[C@H]2[C@]3(C)CCC4=C(CC[C@@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@]12C 2356637047 FQCKEVJQPWDRQG-DUUZHSSXSA-N 410.730 9.198 0 1 HKAF C=CC(C)=CC[C@]1(C)[C@H](C)CC[C@]23C(=CCC[C@H]12)[C@@H](OC(C)=O)O[C@@H]3OC(C)=O 2356684710 VETHZFSKKYINKU-KTSMFKKLSA-N 402.531 5.076 0 1 HKAF CCC(=O)[C@@H]1[C@H](CC)C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356751367 XFFDYWGJZFMHBB-UVFAUCSCSA-N 400.603 6.112 0 1 HKAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@]2(C)C[C@@H](C3=CC(=O)O[C@H]3O)C[C@@H]12 2356755801 VLTYUYLIFSQZKQ-NEKGXRHHSA-N 400.603 5.863 0 1 HKAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(C)cc2)C2=C(O)CC(C)(C)CC2=N1 848021 KNZHASCMZKMZCR-GCJKJVERSA-N 409.526 5.162 0 1 HKAF O=C(NCCOc1ccccc1)c1c(-c2ccccc2F)noc1-c1ccsc1 2482551 IRRYLNCVIJVWGV-UHFFFAOYSA-N 408.454 5.018 0 1 HKAF CC(C)[S@](=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 5963307 CPMYQFUFQVVJNP-JVMJEMOJSA-N 420.703 6.110 0 1 HKAF CO[C@]1(CCC2CCCCC2)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 13671533 GNDHVOPOCXMQSU-CCHFCTFWSA-N 414.674 7.344 0 1 HKAF Cc1cc(C)c(NC(=O)C(C)(C)CCCCOCc2ccccc2)c2c1CC(C)(C)O2 13747647 ORBPNJFIWAPTMG-UHFFFAOYSA-N 423.597 6.369 0 1 HKAF CC(C)n1cc2c3c(cccc31)[C@H]1C=C(COC(=O)C3CCCCCC3)CN(C)[C@@H]1C2 13794010 BAQKJIGFHOXAQA-ILBGXUMGSA-N 420.597 5.616 0 1 HKAF CC(C)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)CNCc1ccccc1C(=O)O 26184512 QGQQMIXPCNOORX-FPNNDXFKSA-N 419.609 6.308 0 1 HKAF Cc1c2c(nc3ccc(OCCN4CCCCC4)cc13)-c1cc3cc(O)ccc3n1C2 26395758 POPCXANSRUNQQJ-UHFFFAOYSA-N 413.521 5.097 0 1 HKAF COc1ccc(C(=O)[C@@H](Nc2ccc(Cl)cc2Cl)c2ccccc2C)cc1O 26482598 OOJDWFNZMDXOKN-NRFANRHFSA-N 416.304 6.052 0 1 HKAF O=C(NC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1cccc2ccccc12 28821353 HTWMHCRDLFZCSF-UHFFFAOYSA-N 412.455 5.253 0 1 HKAF Cc1ccc(N(C)C(=O)Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 28826697 QYRHBSXLYHHYOQ-UHFFFAOYSA-N 402.372 5.836 0 1 HKAF CC(C)=CCC[C@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 33988550 CHGIKSSZNBCNDW-NSOKLELQSA-N 412.702 8.089 0 1 HKAF CCCCNc1cccc(N2C[C@@H](c3ccc(OC)c(OC4CCCC4)c3)CC2=O)c1 34820602 RFMYYBCZFUDFOJ-FQEVSTJZSA-N 422.569 5.749 0 1 HKAF CC1=CC(=O)C2=C(C[C@@H]3[C@]2(C)CC[C@H]2[C@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]23C)C1=O 42850935 CCDPFNRYKYEVHN-OHTCGOCVSA-N 410.598 5.421 0 1 HKAF CCCCCCSc1ccc(C(=O)CCN2CCOCC2)c(Cl)c1Cl 43076422 ITQVSIWATSZQNW-UHFFFAOYSA-N 404.403 5.571 0 1 HKAF CCCCCCN1CCN(Cc2cccc(NC(=O)c3cc4ccccc4o3)c2)CC1 45195895 ZIGXVEAFYDJZTD-UHFFFAOYSA-N 419.569 5.383 0 1 HKAF CC(C)[C@H]1CC(=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2O1 49053913 YAKMQYYIRBCXQX-OAQYLSRUSA-N 412.316 6.712 0 1 HKAF Cc1cc2c(c(=O)n1-c1ccccc1)[C@@H]1O[C@@](c3ccsc3)(Cc3ccccc31)O2 66147896 GVHLKMUGQOJKTH-ILBGXUMGSA-N 413.498 5.115 0 1 HKAF Cc1cccc(-c2nc(NCC3CCCCC3)ncc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 82146238 LJPVHCIJPYPZPV-BGYRXZFFSA-N 420.601 5.562 0 1 HKAF CCC(O)(CC)c1ccc2cc(-c3n[nH]c4cc(-c5ccccc5)sc34)[nH]c2c1 84635324 YBKODNZGBUDZRA-UHFFFAOYSA-N 401.535 6.447 0 1 HKAF in-vitro Cc1c2c(nn1C(=O)CCN1c3ccccc3Sc3ccccc31)CCCC2=O 95578389 NMCKQBHXPXYZLO-UHFFFAOYSA-N 403.507 5.044 0 1 HKAF Nc1nc(-c2cc3c(s2)-c2ccccc2OCC3)c(-c2ccccc2Cl)s1 95583076 CQGQYJNSZWNZBN-UHFFFAOYSA-N 410.951 6.376 0 1 HKAF CC[C@@H](C)Sc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(OC)cc1 100703588 AFCYUUBDVZHPMC-PXAZEXFGSA-N 411.527 5.295 0 1 HKAF CCOc1ccc(-c2n[nH]c3c2Cc2cc(CN[C@H]4CC[C@H](C)CC4)ccc2-3)cc1 101111550 WLEJAHJUBGRVNA-UEDWGHLCSA-N 401.554 5.715 0 1 HKAF CCc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2OC)cc1 104702424 OGEZYZAYNDBJGW-XMMPIXPASA-N 416.521 5.705 0 1 HKAF O=C(c1cc(Cl)cc(Cl)c1O)c1[nH]c(Cl)c(Cl)c1Br 139385987 BKNMMXRTOQSCHU-UHFFFAOYSA-N 403.874 5.327 0 1 HKAF CN1CC[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC=C(n4cnc5ccccc54)[C@@]3(C)CC[C@@H]12 146058494 ONOKUVALJZYGNK-ZMBVWFSWSA-N 415.581 5.518 0 1 HKAF COC(=O)N1C(/C=C\C=C/c2ccc(OC)cc2)=Cc2ccccc2[C@@H]1CC(C)=O 169313678 PSOQXJJOHWTUNT-WADGCQDQSA-N 403.478 5.408 0 1 HKAF Cc1c(OCCCCOc2ccc(C(=O)O)cc2)ccc(C(=O)CC2CCCC2)c1C 169350424 SYLQPTCTLSPKIH-UHFFFAOYSA-N 424.537 6.003 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)c(C/C=C(\C)CCC=C(C)C)c3O2)cc1 198353686 QCPWUZAGZXPQEF-FZRLKEFVSA-N 422.521 6.048 0 1 HKAF CCCC[Sn](CCCC)(CCCC)c1cc(C(C)(C)C)ccn1 200761441 LBYYZJUTYIDBJJ-UHFFFAOYSA-N 424.261 6.435 0 1 HKAF CC1=CCC[C@H](C)[C@@]1(C)CC/C(C)=C\CC/C(C)=C/C[n+]1cn(C)c2ncnc(N)c21 238783857 BMJABLUWVJRIBX-PZVWGUIDSA-N 422.641 5.674 0 1 HKAF CC[C@H](C)C[C@H](C)C[C@H](CO)C[C@@H](C)/C=C(C)\C=C(/C[C@@H](C)C(=O)OC)C(=O)OC 238785918 WZRMQIAMDZWMAG-DNIIGROTSA-N 424.622 5.328 0 1 HKAF CN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC12CCCCC2 253688713 KDDUICUDCSCLSK-UPVQGACJSA-N 412.980 6.006 0 1 HKAF Cc1cccc(C)c1NC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 253782839 QAHXIOGYJOSPBU-LDKLXIKSSA-N 420.597 5.155 0 1 HKAF CC[C@H](/C=C\[C@H](C)[C@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]21C)C(C)C 255255777 OQMZNAMGEHIHNN-BBXRVNFZSA-N 410.686 7.721 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C 255287643 ZQWIMCCBIVTVLN-OKNUAVKUSA-N 400.691 7.779 0 1 HKAF CSc1sc(-c2nc3cc(F)cc(F)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586920745 XASTZFFMFOUGBD-UHFFFAOYSA-N 422.931 5.127 0 1 HKAF Cc1ccc(-n2cnnc2SCc2nc3cccc(C(C)(C)C)c3[nH]2)cc1Cl 586967643 CAWUVIYFMBWIAU-UHFFFAOYSA-N 411.962 5.695 0 1 HKAF Cc1c(-c2ccc(C(F)(F)F)cc2F)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586985344 CFYLBCLUGZFOCS-UHFFFAOYSA-N 423.365 6.285 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(F)c(Cl)cc3Cl)nc3ccc(O)c1c23 586985493 DWJCPUNAZNNPEN-UHFFFAOYSA-N 410.231 6.265 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c(-c3csc4c3CCOC4)nc2c1 587032424 UVVSIEGEYZHUBW-UHFFFAOYSA-N 403.223 5.145 0 1 HKAF CCOC(=O)c1[nH]c2c(c1C)-c1nc3c(C)ccc4c3c(c1CC2)-c1ccccc1C4=O 587095769 AHOBIALZAIZKBC-UHFFFAOYSA-N 422.484 5.333 0 1 HKAF CCOC(=O)[C@H]1C[C@@H](C(C)C)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587096329 CPXKMGNBJFNQNP-KKSFZXQISA-N 413.517 5.620 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@H]2c3nc4cccc5c4c(c3[C@@H]2C1)-c1ccccc1C5=O 587106125 LVBCGVVJEVSAGZ-CRAIPNDOSA-N 412.489 5.268 0 1 HKAF CC(=O)[C@H](C/C=C/c1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106490 HRLOKDOEMUDIAV-OEMHODTASA-N 403.481 6.222 0 1 HKAF Cc1c(Cl)ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 587182379 JDJIBMRCVDFPFP-UHFFFAOYSA-N 403.050 5.450 0 1 HKAF CC1(C)O[C@H](c2ccccc2)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355670 FOCNSQLXXQUKSS-PPJWLVRDSA-N 418.464 5.569 0 1 HKAF Cc1cccc(C[C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587357088 SLOKMJUCFGXUEU-AHWVRZQESA-N 402.465 5.590 0 1 HKAF COc1cccc(-c2c(Cc3ccccc3)c(C(C)C)nc3c2oc2ccccc23)c1 587366605 WXKATSVPFVEJES-UHFFFAOYSA-N 407.513 7.371 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccccc3)nc1-c1cccs1)O2 587414243 SBEBDSPINBUVAU-HXUWFJFHSA-N 401.491 5.198 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(SCC(F)(F)F)cc1)CC2=O 587459571 DCWFDNBDPNHUAR-HXUWFJFHSA-N 410.457 5.880 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](c2ccccc2O)Oc2ccccc21 587485777 JXHSFZHUBCFMPF-AHWVRZQESA-N 416.473 5.435 0 1 HKAF COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCc1ccccc1 587522904 IYOLDFZFUNLEGI-RUZDIDTESA-N 414.501 5.860 0 1 HKAF CC1(C)Cc2ccc(Cl)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587552427 RNFBPZXLBFBUAG-HYBUGGRVSA-N 406.865 5.485 0 1 HKAF COc1cc(-c2ccccc2)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599686 HJMLWKXGBNDIRG-SHQCIBLASA-N 424.452 5.771 0 1 HKAF C[C@@]1(c2ccc(Cc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603844 RWJBGYRXSCSYAP-LSYYVWMOSA-N 422.480 5.860 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccccc2)ccc1O 587605917 BRTCDKJFACWKIB-OZXSUGGESA-N 410.425 5.468 0 1 HKAF CSc1scc2c1[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609868 DVFVKZCBCPFBLJ-XMSQKQJNSA-N 410.516 5.369 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)s1)C1CCC1 587613699 PSSDXLACQMSOOV-UGKGYDQZSA-N 412.894 5.764 0 1 HKAF Cc1ccc(-c2[nH]c3cccc(F)c3c2[C@H](C(=O)O)c2cn(C)c3ccccc23)cc1 587635496 JAYILJLNHXHDBE-JOCHJYFZSA-N 412.464 5.991 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)cccc2Cl)N1 587691601 GYWBPOYEFZZFCF-HUTHGQBESA-N 403.122 5.693 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3Cl)o2)N1 587691892 ADUUZQDXAYSHKU-PRWKNARSSA-N 420.709 6.125 0 1 HKAF Cc1cc2c(c(C)c1Cl)[C@]1(CCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587700030 UGIAOEGDMWHRNV-BIBXISHDSA-N 424.741 5.419 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2cccc(Cl)c2)N1 587701484 NLDSQJLEKIOHER-OVWNDWIMSA-N 420.713 5.255 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2F)N1 587718228 MVSWIKNMGBQEHO-BCTVWOGZSA-N 417.091 5.113 0 1 HKAF CCc1ccc(N2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 587771724 XBZSIQSNXNMLPA-HNNXBMFYSA-N 417.366 5.181 0 1 HKAF COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc12 587807086 JUBLUMKUWBGZIJ-DMZKTXOQSA-N 414.318 5.548 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC/C2=C\c2ccccc2)N1 587816901 FRZREAQZEBULFC-SWXZMFRHSA-N 400.335 5.975 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2C(C2CCCCC2)(C2CCCCC2)N1 587821184 SWDSCOOTJSTSSY-HNNXBMFYSA-N 408.399 6.478 0 1 HKAF CC(C)c1ccc([C@]2(C(C)(C)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587826283 KGFSMVMPRCWLKU-FPTDNZKUSA-N 420.366 5.260 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 587831117 WMESWKIMIABRRS-YEJXKQKISA-N 400.291 5.780 0 1 HKAF CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(-c3ccc(C)cc3)c2O)n1 587944263 DAKHJRSFCVZMPM-UHFFFAOYSA-N 423.469 5.085 0 1 HKAF CCCCOc1cc2[nH]c(C(=O)CCc3ccccc3)nc2cc1Br 587954023 ZDAXTJAMFYXXTJ-UHFFFAOYSA-N 401.304 5.320 0 1 HKAF CCCC[C@H](CNC)N1CCN(CCC23CC4CC(CC(C4)C2)C3)[C@H]([C@H](C)CC)C1 653722490 WNUIPHOLXVRYFV-ODZKHKBDSA-N 417.726 5.403 0 1 HKAF COc1ccc2c(c1OC)[C@H](c1csc(-c3ccccc3Cl)n1)N(C)[C@@H](C)C2 962615981 AVZWIUIEWVURCA-RBZFPXEDSA-N 414.958 5.447 0 1 HKAF c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@@H]3c3cccc(-c4ccsc4)c3)C2)cc1 962629831 CMERYNKHCYZGCD-XCZPVHLTSA-N 422.597 6.251 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3N[C@@H](C(=O)O)Cc4c3cc(F)cc4C(F)(F)F)o2)cc1 962693727 GHONJBXPFHRDKW-YLJYHZDGSA-N 419.374 5.101 0 1 HKAF CCOC(=O)[C@@]1(c2c(C)c(C)cc(C)c2C)c2ccsc2CCN1Cc1ccco1 962714871 RKCLAXQMYCRJEY-VWLOTQADSA-N 423.578 5.440 0 1 HKAF CC1(C)[C@H]2CC[C@]3(C2)[C@@H]1[C@@]1(CCC3(C)C)c2ccsc2CCN1Cc1ccco1 962715906 YGTMHRFCXBHDTD-NZZVAQPWSA-N 409.639 6.857 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(-c3ccccc3C(=O)OC)cc2)N1 962938894 AKPAOHAZQCVWAQ-DFBJGRDBSA-N 410.517 5.635 0 1 HKAF Cc1ccc(Cn2c([C@H]3c4ccc(F)cc4C[C@@H]4CCCN43)nc3ccccc32)cc1 963115346 VYTWNKAZXFEAFQ-BKMJKUGQSA-N 411.524 5.642 0 1 HKAF C[C@]1(c2ccccc2-c2cccc(C(=O)O)c2)NCCc2c(Cl)cc(Cl)cc21 963116004 BNLBPDHIINKEBD-HSZRJFAPSA-N 412.316 5.768 0 1 HKAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1ccc(F)cc1)c1cc(Cl)cs1 963643316 ZRZBHSYFEXFWSH-DMZKTXOQSA-N 417.933 5.384 0 1 HKAF CC(C)=CC[C@H](O)[C@H](C)CCCC(C)=CCC[C@H](C)C[C@H](O)[C@H]1COC(C)(C)N1 2356383167 CAMGJIALDLKPHB-JTKSJCOOSA-N 409.655 5.348 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356435250 WEQPLVIAFBLKRQ-HNMDBJOOSA-N 416.690 6.894 0 1 HKAF CC(C)=CCC[C@@]12[C@H](Cc3c[nH]c4ccccc34)[C@](C)(O)CC[C@@]1(C)[C@@H](C)CC[C@H]2O 2356528738 GFSPEIJDKJGERO-WMOTUAAJSA-N 423.641 6.401 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(O)C=C[C@@]2(O)C[C@@H](O)CC[C@]12C 2356628364 PZFKMXUOAPXMRJ-PWRNOJCPSA-N 418.662 5.474 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]1CC[C@H]1[C@H]3C(=CC[C@@H]12)C[C@H](O)C[C@H]3C)C(C)C 2356776537 XOUKWBZXHQYSCY-KGXVMUILSA-N 400.691 7.491 0 1 HKAF COc1ccc2c(c1)[C@H](n1ccc3ccccc31)C(=O)N2Cc1ccc(C(C)C)cc1 206026803 PIMJUIQOGXKNQK-SANMLTNESA-N 410.517 5.910 0 3 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2562935 VUCDSTCRVYGRSG-OLPNPSOUSA-N 400.647 6.568 0 1 HKAF biogenic CC(C)(C)c1ccc(C2=C(Cc3ccccc3)c3ccccc3C3=NCCCN32)cc1 13555274 ZFZHQAWDTVDGIN-UHFFFAOYSA-N 406.573 6.561 0 1 HKAF COc1ccc(CO[C@@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc1 13744503 ZMPIAJWCWPGMEU-VSGBNLITSA-N 413.561 5.507 0 1 HKAF CSc1ccc(Cc2cccc(-c3c(O)[nH]c4cc(Cl)ccc4c3=O)c2)cc1 13775729 GDIKOIYBCGSECW-UHFFFAOYSA-N 407.922 5.867 0 1 HKAF CC1=C(/C=C\C2=CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@H](O)CC1 26478226 UVVWRMXOHIVZBN-DIGKGYLGSA-N 400.647 6.734 0 1 HKAF Cc1cc(C)cc(-c2c(OC[C@@H]3CCCCN(C)C3)c3ccc(Cl)cc3[nH]c2=O)c1 26578575 OXFBEFJSHHNIIM-GOSISDBHSA-N 424.972 5.576 0 1 HKAF Nc1c(C(=O)c2cccc(Br)c2)sc2nc(-c3cccs3)ccc12 27076354 OPGDVXCNLSKUIP-UHFFFAOYSA-N 415.337 5.601 0 1 HKAF O=C1N(Cc2ccccc2)c2ccccc2C12CCN(CC1CCCCCCC1)CC2 28528886 KNOVIPKRXOCVMF-UHFFFAOYSA-N 416.609 5.928 0 1 HKAF CCO[C@H]1c2ccccc2-c2c1c1cc(C)ccc1c(=O)n2Cc1ccc(OC)cc1 28955694 CSYKYMVQLIAWFK-SANMLTNESA-N 411.501 5.473 0 1 HKAF O=C(N[C@@H](Cc1ccc(O)cc1)c1ccc(O)cc1)C(c1ccccc1)c1ccccc1 29347650 WUIXYONDHDCUGV-SANMLTNESA-N 423.512 5.330 0 1 HKAF O=C(O)CC/C=C\C[C@H]1CO[C@H](c2cccc3ccccc23)O[C@H]1c1cccnc1 36242210 FGBMMJPOIOWZGC-DELPECOZSA-N 403.478 5.449 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@@H](C)CC(=O)[C@](C)(CCC(=O)O)[C@@H]3CC[C@@]21C 36330305 GOSURFASCRNOMA-MXEPXGSISA-N 418.662 6.988 0 1 HKAF Fc1ccc2nc(-c3cccc(-c4cccc(CNC[C@@H]5CCCO5)c4)c3)[nH]c2c1 45301569 UIDRMBRJMNBGCT-QFIPXVFZSA-N 401.485 5.305 0 1 HKAF Cc1cccc(-c2ccc3c(c2)[C@H](N2CCN(C)CC2)Cc2ccccc2S3)c1 64549307 JXSJIGMUFKVXOT-XMMPIXPASA-N 400.591 5.658 0 1 HKAF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NCc2ccccc2)nc1-c1ccccc1F 82150830 DUOYWUFHHCWZSS-HTAPYJJXSA-N 418.516 5.203 0 1 HKAF C[C@H]1[C@@H]2Cc3ccc(I)cc3[C@]1(C)CCN2Cc1ccccc1 100719844 KAICFMDUDWIURZ-ONGXBYRLSA-N 417.334 5.016 0 1 HKAF O=C(O)CCC/C=C\C[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1/C=C/[C@H](O)COc1ccc(Cl)cc1 100930636 LXTJSOWJRUNEQA-KAJXWAOTSA-N 418.961 5.499 0 1 HKAF COc1ccc([C@H]2C3=C(O)CCCC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 103921366 BPHLJPNHXSEYKL-SANMLTNESA-N 424.500 6.165 0 1 HKAF CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc(N(C)C)cc2)C2=C(O)CCCC2=N1 104700001 IQGCUPCENGYFAK-QHCPKHFHSA-N 419.500 5.339 0 1 HKAF O=c1[nH]c2ccc(-c3ccncc3)cc2c(OCc2ccccn2)c1-c1cccs1 115007781 YUXSKNMEPLBNMX-UHFFFAOYSA-N 411.486 5.293 0 1 HKAF C[C@]12CC[C@@H]3[C@]45CCC[C@](C)([C@H](O)OC4)[C@@H]5CC[C@@]3(C)[C@@H]1Cc1cc(O)ccc1O2 137443934 CZBILTFRGJCVGE-UCOKKNDWSA-N 412.570 5.054 0 1 HKAF Clc1ccc(B(Oc2ccc(Cl)c3cccnc23)c2ccc(Cl)cc2)cc1 195299540 OGODEFKQSAPPLG-UHFFFAOYSA-N 412.512 5.380 0 1 HKAF CCSc1nc(Nc2cccc(Cl)c2)c2cnn(C[C@H](C)c3ccccc3)c2n1 299864841 NARPAPOKJAZNIR-HNNXBMFYSA-N 423.973 6.139 0 1 HKAF Cc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1NC(=O)c1cnoc1C 473249077 SSWALXZVLDEORF-UHFFFAOYSA-N 419.268 5.495 0 1 HKAF c1ccc(C(SCCc2nc3ccccc3[nH]2)(c2ccccc2)c2ccccc2)cc1 586970513 LICGLEHCXRIQOF-UHFFFAOYSA-N 420.581 6.831 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@@H]4c1ccc(F)cc1)-c1ccccc1C2=O 586994722 DKCBBQHGOFKLTK-OAQYLSRUSA-N 407.444 5.541 0 1 HKAF Cc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2cc1Cl 587002738 NCOZTIJMKDVAPO-AWEZNQCLSA-N 403.711 5.011 0 1 HKAF CC(C)(C)c1ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2n1 587015214 GUUAHRMCNLWZPP-UHFFFAOYSA-N 403.338 6.353 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 587050893 RCDJHSVTVNNOAQ-RKDXNWHRSA-N 405.634 6.813 0 1 HKAF CCCOc1cc2nc([C@H](CC)Oc3ccccc3Cl)[nH]c2cc1Br 587061758 JSOGJHACXYEOTJ-INIZCTEOSA-N 423.738 6.298 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Cl)cc(F)c2[nH]1 587070545 HPUVFOWEVOSHIB-WMBPGHKDSA-N 409.719 7.028 0 1 HKAF Cc1cc(Cl)cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587109158 BWYNSMNEYACWIS-UHFFFAOYSA-N 406.757 6.348 0 1 HKAF Nc1ccc(-c2ccc3[nH]c(-c4sccc4-c4ccc(F)cc4)nc3c2)cc1N 587165474 WVTKYPUJEOTZCW-UHFFFAOYSA-N 400.482 5.929 0 1 HKAF CC[C@@]1(c2cc(C(=O)O)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329920 FWRFUJDMOTUBLX-QPPBQGQZSA-N 424.399 5.033 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2F)(C2CC2)[C@@H]1c1ccc(F)cc1 587331859 KFTOBGZVJCIQTC-NOZRDPDXSA-N 406.428 5.421 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3ccc(O)cc32)[C@@H]1c1ccc(F)cc1 587358192 WBUNDPAVXRQFIM-XNMGPUDCSA-N 424.427 5.520 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C)C(C)(C)[C@H](C(=O)O)C3)c1 587366847 QVQFXNVOXCCMPO-LIRRHRJNSA-N 415.489 6.043 0 1 HKAF COc1cc(Cl)ccc1-c1cccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587377051 GJQOBYXTRMSGFJ-XMMPIXPASA-N 407.897 5.787 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C(F)(F)F)cc4)o1)[C@@H](C2)C3=O 587419582 CZIBHLVVLYPKHS-BTYIYWSLSA-N 400.352 5.463 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1nc4ccccc4n1[C@H](C)c1ccccc1)[C@@H](C2)C3=O 587433235 WQYMLKQJMBMOHU-LROSEOONSA-N 410.473 5.143 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1cc(C(C)(C)C)cc4c1CCC4(C)C)[C@@H](C2)C3=O 587445127 IEHJYIXIQDTDMI-KDYSTLNUSA-N 404.550 5.879 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)cc1OCc1cccnc1)CC2=O 587488811 KENNNGNWZBCVOH-DEOSSOPVSA-N 419.477 5.034 0 1 HKAF O=C1CC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587501550 OXSLTMPQJADULC-UHFFFAOYSA-N 423.339 6.781 0 1 HKAF CCOC(=O)c1sc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1N 587536656 YRAHPSRCMAPCGT-LJQANCHMSA-N 421.518 5.246 0 1 HKAF O=C1C[C@]2(C[C@@H](c3ccccc3O)Oc3ccccc32)Oc2c1ccc1c2CCCC1 587536968 ZRCJZDLHTXFVPV-AHKZPQOWSA-N 412.485 5.656 0 1 HKAF C[C@]1(c2ccc(NC3=NCCCS3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587537399 DUMVHADCTDLKAJ-XMMPIXPASA-N 406.551 5.351 0 1 HKAF CCCCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587599249 WRWAAUCZJLGHIS-RDGATRHJSA-N 404.462 5.664 0 1 HKAF COc1ccc([C@@]2(C(C)(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587600987 PQRDOIYWEDRULF-PXDATVDWSA-N 404.462 5.304 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c(C(=O)OC)c2c1 587640479 APKVPOGLYTYAQR-NVXWUHKLSA-N 414.546 5.583 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3cccc(Cl)c3)no2)N1 587698775 JHSOUWFMVDWZPB-DGIBIBHMSA-N 421.697 5.520 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)ccnc2Cl)N1 587704677 KOWXBGIKGFNWNY-BCTVWOGZSA-N 404.110 5.088 0 1 HKAF CC[C@]1(c2ccc(OC(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587722686 ZIZBXXJZXPDHMF-JEOXALJRSA-N 414.265 5.377 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(F)cc3)o2)N1 587733756 LUOZXJTWVDCHPF-GIPWTMENSA-N 404.254 5.611 0 1 HKAF CC(C)=C1NCCc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc21 587792321 IHFFFZSPWSCOCY-MCMMXHMISA-N 415.350 5.108 0 1 HKAF CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)C 587799733 CFXJJPUNIHFUTP-ZSEKCTLFSA-N 406.339 5.734 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(Cc3ccccc3)CC2)N1 587818666 SEBNJVWXDAVRPQ-JUTLFCHVSA-N 402.351 5.751 0 1 HKAF O=C(Nc1ccc(Br)cc1Cl)n1nc2cc1Oc1ccc(F)cc1-2 587872877 SBUKMTIOAZVQOR-UHFFFAOYSA-N 408.614 5.291 0 1 HKAF COc1ccccc1-c1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc1 587931632 LORQVAPZEADUOJ-UHFFFAOYSA-N 404.779 5.368 0 1 HKAF O=C(O)[C@@H]1CCCC[C@@H]1C[C@]1(c2ccccc2)c2ccc(F)cc2C[C@H]2CCCN21 963114524 VNJBONRQKVVRDX-DDKMDXNESA-N 407.529 5.371 0 1 HKAF Cc1cccc(C)c1[C@@]1(C2CC2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963189475 WTRAFYZZFHUDSX-RXVVDRJESA-N 423.862 5.228 0 1 HKAF COc1ccccc1C(=O)c1sc(=N)[nH]c1-c1ccc(Cl)c(C(F)(F)F)c1 1857642260 WVCPRNBQSCQLOH-UHFFFAOYSA-N 412.820 5.134 0 1 HKAF O=CN1CCC[C@H]1COCCCCCC/C=C/c1ccc(Oc2ccccc2)cc1 1857759734 IDHWXUPLVIEHEW-YDSNZTKKSA-N 407.554 6.080 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1CC3 2356410439 LENYQUOTRXGYQY-SRJQOMICSA-N 424.713 8.543 0 1 HKAF C[C@@H]1CC[C@]2(C)[C@H](C)CC[C@H](O)[C@]23CCC2=C(c4c[nH]c5cccc(c45)C2(C)C)[C@H]13 2356535541 CGVQZHKJDJWLLW-JEESHCKVSA-N 403.610 6.836 0 1 HKAF CC1=C2C=C[C@]3(C)[C@H]([C@H](O)C[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@]2(C)CC1 2356558019 JPVAZROWIZUKBT-WPLAQPAHSA-N 412.658 6.280 0 1 HKAF CC(C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@]4(C)CCC(C)(C)C[C@H]4C3=CC[C@]21C 2356625532 PKSBIHVTQFFWSW-DWFIZQNPSA-N 408.714 8.974 0 1 HKAF CC(C)=CC(=O)O[C@@H]1C=C2C(=O)O[C@H](c3ccoc3)C[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12 2356660256 CSCPSRSJYZJSKL-QDSRYJPQSA-N 412.526 5.534 0 1 HKAF CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)CCC=C(C)[C@H]1C[C@H](O)C(C)(C)O1 2356674179 YHXSUSPTGLHIRR-MOPGFXCFSA-N 422.949 5.016 0 1 HKAF COc1cc(OC)c2c(c1-c1ccc(OC)c3c(OC)cccc13)C[C@@H](C)N(C)[C@H]2C 2356708288 JTWIKSOWCMKKAL-CVEARBPZSA-N 421.537 5.479 0 1 HKAF C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@H](CC[C@@H]5CC(=O)CC[C@]54C)[C@@H]3C[C@H]2O[C@@]12CC[C@@H](C)CO2 2356772928 MKSOVCGCFFZGER-JRAIPQJGSA-N 400.603 5.612 0 1 HKAF COc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)NC1CCCCC1 2481203 UKMONEIHDJNNID-UHFFFAOYSA-N 410.901 5.733 0 1 HKAF CCN1C(=O)c2ccccc2Sc2ccc(NC(=O)N3CCc4ccccc43)cc21 6796213 UJVCCDOARYJBGC-UHFFFAOYSA-N 415.518 5.413 0 1 HKAF COc1cc2c(cc1C/C=C(\C)CCC=C(C)C)[C@@H]1COc3cc(O)ccc3[C@@H]1O2 14680700 RQUGKUQXWLYLSN-PUQADGDBSA-N 406.522 6.246 0 1 HKAF CC(C)=CCN1c2cc(Br)ccc2[C@@]2(CC=C(C)C)CCN(C)O[C@@H]12 15217256 NWEUSXXVDOPMJX-NHCUHLMSSA-N 405.380 5.423 0 1 HKAF biogenic O=c1c(O)c(-c2ccc3ccccc3c2)cc(-c2ccc3ccccc3c2)c(O)c1O 27418753 KBBFJRRVOROHGI-UHFFFAOYSA-N 406.437 5.804 0 1 HKAF CCC[C@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(C(C)C)cc1 28823161 HDKIHBKIKZJXBX-INIZCTEOSA-N 409.979 5.340 0 1 HKAF C[C@@](O)(CSc1ccc(Cl)cc1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1 34801500 REAZRCQRIARZBD-QGZVFWFLSA-N 420.283 6.493 0 1 HKAF COc1ccc(-c2c(C)noc2[C@H]2[C@@H](c3ccc(C)cc3)C[C@@H]3CC[C@H]2N3C)cc1 40421514 VXEYCCZPVLWMLA-QSHYMPABSA-N 402.538 5.701 0 1 HKAF COc1cc(NCCC(=N)N)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1 40972640 CSRKHSHIUZUPQL-UHFFFAOYSA-N 418.419 5.101 0 1 HKAF CCCCOc1ccc(/C=C/c2ccc(-c3c(C)[nH]c(C)c(Cl)c3=O)s2)cc1 45323117 VWPHRPNLRAQASD-DHZHZOJOSA-N 413.970 6.723 0 1 HKAF O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 58506829 IQLBXWFUBCPMFQ-FQEVSTJZSA-N 411.288 5.204 0 1 HKAF Cc1ccc(NC(=O)NCCCCNC(=O)Oc2ccc(C3CCCCC3)cc2)cc1 68586713 XPYCJTSPXMFEBR-UHFFFAOYSA-N 423.557 5.733 0 1 HKAF biogenic Cc1cn(-c2ccc(Nc3nc4c(s3)CCC[C@H]4c3ccccc3)cc2C)cn1 73196308 SUEFYOULMNCZTE-FQEVSTJZSA-N 400.551 6.157 0 1 HKAF Cc1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)o1 82165345 JIWKDINDITXWKM-UHFFFAOYSA-N 414.490 6.041 0 1 HKAF CCCCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCc3cccs3)ncnc21 82178397 DGIIVLLFIGIDSA-GOSISDBHSA-N 419.598 6.036 0 1 HKAF CC(C)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(-c3ccccc3)cc2)cs1 82191975 MBOLHBZHKKHISC-QFIPXVFZSA-N 405.567 5.218 0 1 HKAF Cc1cccc([C@@H]2CC(c3ccc(Cl)c(Cl)c3)=NN2C2=NC(=O)CS2)c1 95580624 XRTKTEGOHGAJBQ-KRWDZBQOSA-N 404.322 5.082 0 1 HKAF CCc1c(C)cc(OC2=C(c3c(C)cc(C)cc3C)C(=O)OC23CCCC3)cc1C 103183798 FMLVLAAVMGPFPF-UHFFFAOYSA-N 404.550 6.451 0 1 HKAF O=c1c2ccc(-c3ncccc3C(F)(F)F)cc2[nH]n1-c1ccc(C(F)(F)F)cc1 137452824 XZTHIRNRCYWVIO-UHFFFAOYSA-N 423.316 5.418 0 1 HKAF CNCCCN(C)C(=O)CC1=C(C)/C(=C/c2ccc(SC)cc2)c2ccc(F)cc21 144054214 DCCDMMSGEDTVOC-HMAPJEAMSA-N 424.585 5.333 0 1 HKAF O=C(O)C[C@@H]1CCc2cc(-c3ccc(NC(=O)Nc4ccccc4)cc3)ccc2C1 150226150 CXHMUZQQGKFASI-QGZVFWFLSA-N 400.478 5.577 0 1 HKAF Cc1cnc(-c2ccccc2C2COC2)nc1NCc1ccc(-c2cccnc2)cc1 169304790 BYGUSNGLXSQPQY-UHFFFAOYSA-N 408.505 5.240 0 1 HKAF CC1=N[C@]2(N=C1N)c1cc(-c3cncc(Cl)c3)ccc1CC21CCC(F)(F)CC1 169708600 QYVNHRYCOVFLFE-QFIPXVFZSA-N 414.887 5.138 0 1 HKAF CN1CCCC[C@@H]1CCN1c2ccc(Cl)cc2Sc2cc3ccccc3nc21 205842769 PTDUAULVBZRNBX-GOSISDBHSA-N 409.986 6.365 0 1 HKAF C[C@H](CO)CCC(=O)[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255195077 ANPHLQXCHVRCDX-KKZJBSMNSA-N 416.646 5.540 0 1 HKAF CC(C)C/C=C/[C@H](C)[C@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 255225714 LENYQUOTRXGYQY-VCPJHCIESA-N 424.713 8.543 0 1 HKAF O=C(Nc1ccccc1Cl)Nc1cc(C2(C(F)(F)F)CC2)nn1-c1ccccc1 299820940 FEZNAQIGYBYOPL-UHFFFAOYSA-N 420.822 5.764 0 1 HKAF Clc1ccc(-c2nc3ccc(Nc4ccnc5ccccc45)cc3[nH]2)cc1Cl 299823931 CLTJVQXZXBBFAJ-UHFFFAOYSA-N 405.288 6.829 0 1 HKAF CCOC(=O)c1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1 299864844 NBAHQYYCUNANCX-UHFFFAOYSA-N 420.553 5.416 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)CC1 586881378 VICAJMBMXORQOH-WKILWMFISA-N 412.375 6.851 0 1 HKAF CC(C)c1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(O)c(C(C)C)c1 586896578 OKRPYDVWICUVIU-UHFFFAOYSA-N 408.727 5.993 0 1 HKAF C[C@H]1CCO[C@H](c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)C1 586916971 JFNQVEJKWLCBBZ-GTNSWQLSSA-N 421.394 5.461 0 1 HKAF CC(C)COc1cc2nc([C@H](C)Sc3ncccn3)[nH]c2cc1Br 586961858 MGGOBGVPOKVAPR-NSHDSACASA-N 407.337 5.004 0 1 HKAF CCN(C(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1ccccc1C 586988985 VJPPKHXDHHBGGK-UHFFFAOYSA-N 422.484 5.056 0 1 HKAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 587070798 JPJHMLMEUWFYLE-UHFFFAOYSA-N 420.896 5.568 0 1 HKAF FC(F)(F)Sc1ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2c1 587077135 RMBGQIICEGPZTN-UHFFFAOYSA-N 405.832 6.557 0 1 HKAF Clc1ccc2c(c1)C[C@@H](c1nc3ccc(-c4nc5ccccc5s4)cc3[nH]1)O2 587081735 ZJRCQHAFRONSQQ-IBGZPJMESA-N 403.894 6.169 0 1 HKAF Cc1ccc2c3c(cc([C@@H]4CCN(C(=O)OC(C)(C)C)C4)nc13)-c1ccccc1C2=O 587097677 PCVWGIHUFUWWGJ-MRXNPFEDSA-N 414.505 5.479 0 1 HKAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cccc(OC)c4[nH]3)nc2n1 587115487 WUSQLYGEQXOMFE-UHFFFAOYSA-N 421.448 5.037 0 1 HKAF Cc1c(Br)ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587131840 DJIJYAHMPDHHDY-DJWKRKHSSA-N 403.148 5.500 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cc2F)c1 587143222 MJHMOIZQTJPZKG-UHFFFAOYSA-N 424.859 5.859 0 1 HKAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1 587147617 VXAJWUUMXKBZLE-UHFFFAOYSA-N 416.330 5.160 0 1 HKAF CCCc1nc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)nn1-c1ccccc1F 587157130 WPUVCTQLURMJTN-UHFFFAOYSA-N 413.456 5.695 0 1 HKAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 587160744 GAKZUGLCFLNCIY-GHMZBOCLSA-N 415.184 5.634 0 1 HKAF Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cncc(Cl)c3[nH]2)cc1 587165032 JRKGSJWHSQXPKN-UHFFFAOYSA-N 418.863 5.088 0 1 HKAF Cc1c(Cl)ccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 587169954 GGCAJHNNYMHQMO-UHFFFAOYSA-N 421.906 5.193 0 1 HKAF CC(C)[C@@H](c1nc2c(Cl)c(Cl)cnc2[nH]1)N(C)C(=O)OCc1ccccc1 587197966 QMCIFRFIDDDGGW-INIZCTEOSA-N 407.301 5.230 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)nc2c1 587240055 FVTDNYMGXRHFBV-UHFFFAOYSA-N 418.291 5.353 0 1 HKAF CC(C)[C@@]1(Cc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330493 FSKIJELYXKWNAT-ILBGXUMGSA-N 408.444 5.667 0 1 HKAF Cc1ccc2oc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2n1 587345740 KIYAIHSPFJXHPC-VWNXMTODSA-N 403.409 5.255 0 1 HKAF C[C@]1(CCSc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370382 VWZUECJXUMLHHL-LADGPHEKSA-N 408.494 5.831 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C(F)(F)F)cc4)cc1)[C@@H](C2)C3=O 587424398 YPUBJHJPJDWWEY-CVDCTZTESA-N 410.391 5.870 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc(Cl)cc3)cc1)CC2=O 587460964 JPJYPOWCGJQKAJ-HSZRJFAPSA-N 408.881 6.497 0 1 HKAF O=C1C[C@@](Cc2ccc(F)cc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587509420 RPSKYYZGYNDRBC-SANMLTNESA-N 404.456 5.947 0 1 HKAF CCCCc1ccc([C@]2(C(=O)OCC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587523176 NTQAMHNTVOIXHD-SANMLTNESA-N 406.522 5.332 0 1 HKAF Cc1c(-c2ccc(Br)cc2C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587629616 FDGNYZIHYXWLFS-UHFFFAOYSA-N 406.604 6.717 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(Cl)ccc1CC2(C)C 587696530 KUDINSCWKAQFOI-BIBXISHDSA-N 408.742 5.602 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OCC2CC2)N1 587701168 WOMBSVRFEXMYET-PRWKNARSSA-N 424.741 5.654 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(Br)c2)N1 587719781 QOWGKBXFHYCCEB-VPTHRUTESA-N 417.091 5.113 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2F)(C2CCCC2)N1 587728819 TYACAJBELFAUSR-ASSNKEHSSA-N 406.314 5.695 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2CN2CCCCC2)N1 587766270 MWZJTYURZPLDQF-QRQCRPRQSA-N 417.366 5.198 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(C3CCCCC3)nc2)N1 587776066 VXEFYSXLAQJINM-BUXKBTBVSA-N 404.327 5.050 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cccnc3)cc2)N1 587778409 MYWQDVIFNHJXII-ASSNKEHSSA-N 413.290 5.399 0 1 HKAF CC(C)=CCC/C(C)=C/C=C/[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587815547 NOKRVVAWDNOTSJ-GZWZCASWSA-N 406.383 6.587 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sccc2Oc2ccccc2)N1 587846080 SZGAQOVCUNIOEP-HXPMCKFVSA-N 418.331 6.066 0 1 HKAF Cc1sc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587848137 ZXDYXICTRDHTNA-MLXNANBUSA-N 419.157 5.344 0 1 HKAF COc1ccc(-c2ccc(-c3nc4c(Br)cccc4[nH]3)cc2)cc1OC 587925943 FPFRGAQPGABUEK-UHFFFAOYSA-N 409.283 5.677 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc(/C=C(\C)CCC=C(C)C)[nH]c4c3)o2)cc1 587966694 DXBYRKRISVWNEJ-SAPNQHFASA-N 414.509 6.438 0 1 HKAF Cc1c(F)ccc2c1[C@@](CCc1cccc(Cl)c1)(c1cccc(Cl)c1)NCC2 962304000 YUMRQPGSFZCDPA-XMMPIXPASA-N 414.351 6.463 0 1 HKAF Cc1c(F)ccc2c1[C@@H](c1cccn1-c1cc(Cl)c(Cl)cc1Cl)NCC2 962381296 XVFXELATJAKKIQ-HXUWFJFHSA-N 409.719 6.120 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(C)cc2)([C@@H]2CCOC(C)(C)C2)N1 962947789 KGFIBVFXZOACFT-LGVUCKNBSA-N 402.582 5.849 0 1 HKAF C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C12c1ccsc1CCN2Cc1cccnc1 962997168 KBTZXMBKASYKSQ-NHCUHLMSSA-N 417.622 5.185 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@]2(c1ccsc1)c1ccccc1C(F)(F)F 963112271 XGTQZWCQPQKNPT-GCJKJVERSA-N 417.471 6.218 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1ccc(-c2ccc(C)cc2Cl)cc1 963244599 WRNUSCGYZQKVGT-NFQMXDRXSA-N 403.997 7.236 0 1 HKAF COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3c4cc5c(cc4CCN32)OCO5)cc1 1772605271 PEQKFJBUYHZJAN-HOFKKMOUSA-N 424.500 5.150 0 1 HKAF O=C(NCc1cccc2ccccc12)c1cc2c(OC3CCNCC3)cccc2s1 1857537524 NCTKZHKOFRDXJA-UHFFFAOYSA-N 416.546 5.115 0 1 HKAF CC(C)=C1CCN[C@@H]1C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@]21C 2356337096 VJHRMJFJZGQHMU-RQLUXYQJSA-N 424.717 6.617 0 1 HKAF COc1cc(O)cc(-c2cc3ccc(O)cc3o2)c1C[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)O2 2356408232 YIIMEHMGTCKWAM-JBRSBNLGSA-N 408.494 5.656 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@@]4(C)C=C[C@@]3(CC[C@H]2[C@@]1(C)C(=O)OC)C4 2356467412 PJWZGQUXXYMDML-WWXCFCJWSA-N 412.570 5.537 0 1 HKAF CC(=O)OCc1cc(O)c2c(c1)[C@H]([C@H](C)CCC=C(C)C)C[C@H](OC(C)=O)[C@H]2C 2356522968 AXMCHASUBUDAKX-YTSUXIDCSA-N 402.531 5.360 0 1 HKAF CC(C)CCC[C@H](CO)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356530598 GTZWTRBGKCIOLZ-HPUMWHGRSA-N 418.662 5.332 0 1 HKAF C[C@@H]1c2ccoc2C[C@@H]2[C@@H]1CC[C@]1(O)C(C)(C)[C@@H](OC(=O)c3ccccc3)CC[C@@]21C 2356584491 GHDYDSFLVJFLBO-CEKFMRJLSA-N 422.565 5.748 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@]5(C)C=CC(=O)O5)[C@@]4(C)CC[C@@H]32)C1 2356789507 DJQATLMJYHINQJ-MSLQNIFFSA-N 412.570 5.369 0 1 HKAF CO[C@@H]1CC2=C3C=C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=C(C)C=C[C@H](C)C(C)C 2356803771 XKDCJECDMZNERE-DQYYXLDFSA-N 424.669 7.020 0 1 HKAF CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(-c2ccccn2)n1 3832109 HSQBWWZLDMOFSS-UHFFFAOYSA-N 404.301 5.516 0 1 HKAF CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccc(C(C)C)cc1 4152670 IKTAOMCICFKRLA-UPVQGACJSA-N 408.542 5.217 0 1 HKAF Cc1ccc(C2(CNC(=O)Nc3c(C(C)C)cccc3C(C)C)CCCC2)c(C)c1 13736855 AQVVAYORIURKLH-UHFFFAOYSA-N 406.614 7.184 0 1 HKAF O=Cc1nn(-c2cccc(Cl)c2)c2c1CCC[C@H]2Cc1cccc2ccccc12 26574574 XJFXCIORBMBQPR-IBGZPJMESA-N 400.909 6.154 0 1 HKAF Fc1ccccc1CO[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 27546943 CWSRCSCGTHQTFM-SVBPBHIXSA-N 401.525 5.637 0 1 HKAF CSc1nc(-c2ccc(C(F)(F)F)cc2)c(-c2ccc(C(F)(F)F)cc2)[nH]1 28218759 LAUDETOUURSFTG-UHFFFAOYSA-N 402.363 6.503 0 1 HKAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@H]1N(C)CCc1ccccc1 28237817 DUOSFJSYYXCVHX-FGZHOGPDSA-N 419.396 5.832 0 1 HKAF Nc1[nH]nc2cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)ccc12 34451504 GALVWTFFXPRMQM-UHFFFAOYSA-N 411.387 5.475 0 1 HKAF O=C(Nc1cccc(OCc2ccc(-c3cccc(F)c3)cc2)c1)C1CCNCC1 40421872 MYLMTYUHSBHMEV-UHFFFAOYSA-N 404.485 5.010 0 1 HKAF CCCCc1nc(Cl)c([C@H]2CC(c3cccc4ccccc34)=NN2C(C)=O)n1C 72112257 OALLQZCGFFWIDR-HXUWFJFHSA-N 408.933 5.267 0 1 HKAF O=C1O[C@](CCCO)(c2ccccc2)CCN1c1cccc(-c2ccc(F)cc2F)c1 72116725 TYQJYQYIJIVXSP-VWLOTQADSA-N 423.459 5.647 0 1 HKAF CC(C)(C)CC(C)(C)n1nnnc1CNCCCC(c1ccccc1)c1ccccc1 73169402 UEEDZEIQLUWLLM-UHFFFAOYSA-N 419.617 5.546 0 1 HKAF COc1ccc2cc(C(=O)Nc3ccc(-c4cccc(C(F)(F)F)c4)cc3)ccc2c1 73197017 GIIWJCLTQAZNFZ-UHFFFAOYSA-N 421.418 6.787 0 1 HKAF O=C(N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)[C@H](c1ccccc1)C1CCCCC1 84668439 BYTHRKRURWLFHM-HVWQDESWSA-N 416.609 5.377 0 1 HKAF CO[C@H]1Cc2cc(-c3ccccc3)sc2C2(CCN(Cc3ccccc3)CC2)O1 95555482 GDQRGUCJOHMETE-HSZRJFAPSA-N 405.563 5.452 0 1 HKAF O=C(Nc1cc(Nc2ccc3c(c2)CCCCC3=O)ccc1F)c1cccc(F)c1 95575666 HBFMJONIYGVRND-UHFFFAOYSA-N 406.432 5.870 0 1 HKAF CC[C@@H](CO)Oc1cc(NC(=O)c2ccc3ccccc3c2)c2ncn(C(C)C)c2c1 95771727 HTPLCKIZRPSBAR-FQEVSTJZSA-N 417.509 5.172 0 1 HKAF COc1ccccc1/C=C/C[C@H]1C[C@@H]([C@@H](O)c2ccccc2)CO[C@@H]1c1ccccc1 96921346 MEMSKGSYLNBNTF-PIZJLYKYSA-N 414.545 6.226 0 1 HKAF CC(C)=CCc1cc(C(=O)CC(=O)c2cc3c(cc2O)OC(C)(C)C=C3)ccc1O 100220477 VXOZFACLCCVUMV-UHFFFAOYSA-N 406.478 5.246 0 1 HKAF CC(=O)N1N=C(c2cccc(N)c2)C[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 103200536 OLTQFGJLHFALGP-IBGZPJMESA-N 414.292 5.533 0 1 HKAF Cc1nc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)oc1C 105199510 CVLUIZGUZHAYNA-DFBYTOGESA-N 420.532 6.037 0 1 HKAF CCOc1cccc(F)c1[C@H]1C[C@@H](C)C(=O)N1Cc1csc(-c2ccc(C)cc2)n1 167745013 DOOLJNLUINHQJO-OXQOHEQNSA-N 424.541 5.766 0 1 HKAF CCCc1cc(=O)oc2cc(OC(=O)/C=C/c3ccccc3)c3c(c12)OC(C)(C)C=C3 169336466 BNYPUPKGSTUCAJ-VAWYXSNFSA-N 416.473 5.549 0 1 HKAF CCOC(=O)c1c(CSc2ccc(C(F)(F)F)cc2)n(C)c2ccc(O)cc12 169345883 OGIYSCPAAKBDBK-UHFFFAOYSA-N 409.429 5.372 0 1 HKAF COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2ccccc2OC(C)C)C[C@H]1C 195296929 SRHGMBJUUYCDFO-XFEVJDRUSA-N 420.509 5.354 0 1 HKAF C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)C5=C(CCC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C 238733571 ONKVULBDJSGIEB-KYLVHYEVSA-N 410.686 8.131 0 1 HKAF C[C@@H]1C2=CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]34C)[C@@H]2CC[C@@H]1O 238740888 OLWSWWUSGLHFEB-DUIPFLHSSA-N 412.702 7.779 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C)C(C)C 255253656 OJFVQALEVDJRGR-FRNUHFATSA-N 412.702 7.801 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@@]12C 299847227 YMMFNKXZULYSOQ-XTIUIIHMSA-N 420.678 5.554 0 1 HKAF COc1cc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c2cc1Cl 586968127 NPANVKOMUADJEU-UHFFFAOYSA-N 420.325 5.060 0 1 HKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cnc3ccccc3c2[nH]1 586981967 GLAYQEVYDXIRGR-INIZCTEOSA-N 408.343 6.246 0 1 HKAF O=C1c2ccccc2-c2c(C3CCOCC3)c(-c3ccccc3)nc3ccc(O)c1c23 586992801 XMMRAABKIKJWSE-UHFFFAOYSA-N 407.469 5.713 0 1 HKAF Cc1ccc2c3c(cc(/C=C/c4ccc(Cl)c(Cl)c4)nc13)-c1ccccc1C2=O 586993929 ROXGFQBTPULWRF-VQHVLOKHSA-N 416.307 7.232 0 1 HKAF CCCOc1cc2[nH]c(-c3nc4ccc(OC)cc4s3)nc2cc1Br 587035546 RYPCQCNCZDEUEY-UHFFFAOYSA-N 418.316 5.400 0 1 HKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c2)cc1 587067683 KNLKPGQLKUVAOR-UHFFFAOYSA-N 405.231 5.974 0 1 HKAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cccc(OCc3ccccc3)c2[nH]1 587080941 VPGVXDZZBOGHTL-IBGZPJMESA-N 416.912 5.519 0 1 HKAF COc1ccccc1[C@H]1CC(=O)Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587098880 VSNWVKPTBVYJMH-OAQYLSRUSA-N 419.480 5.410 0 1 HKAF Fc1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1F 587120071 PUGBBMFIHDVRCW-UHFFFAOYSA-N 415.325 5.237 0 1 HKAF C[C@H](Oc1ccc2ccc(=O)oc2c1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208585 BYTRWCZAXDSPQX-HNNXBMFYSA-N 419.436 5.693 0 1 HKAF COc1cccc(-c2cc(-c3ccc(F)c(Cl)c3)nc3c2oc2ccccc23)c1 587358612 ACQUVSAQFMMQOO-UHFFFAOYSA-N 403.840 7.116 0 1 HKAF COc1cccc(-c2c(Cc3cccc4ccncc34)cnc3c2oc2ccccc23)c1 587362088 DGUYCFNBRODMFY-UHFFFAOYSA-N 416.480 6.796 0 1 HKAF C[C@]1(c2nc3c(s2)CCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587372496 JFZGASGSHASLOW-REWPJTCUSA-N 409.482 5.141 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc4noc(-c5ccc(Cl)cc5)c4c1)[C@@H](C2)C3=O 587423520 UXQPZKIYYAOMFR-FDDCHVKYSA-N 417.848 5.646 0 1 HKAF CCCOc1cc(Cl)c([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OC 587459208 GXTDYBIQHCGEQF-IBGZPJMESA-N 404.890 5.502 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1cccc(C(F)(F)F)c1)CC2=O 587464212 LIALXVVJYYLKRG-OAQYLSRUSA-N 421.415 5.116 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(c1cccc(F)c1)CC2=O 587465199 AXQMYABKMYBHRQ-RUZDIDTESA-N 406.453 5.401 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccc(Br)c1Cl)CC2=O 587467849 UUNAGJLMIFDVGG-OAHLLOKOSA-N 413.670 5.606 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCN(Cc3ccccc3)c3ccccc31)CC2=O 587473738 BUVUANYGYVUJTM-MHZLTWQESA-N 413.517 5.616 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccccc1C(=O)OC)CC2=O 587476277 AKAYNAHBXLZPAW-SANMLTNESA-N 416.473 5.040 0 1 HKAF Cc1cccc(OCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1C 587563353 CGDSKWCNAGFBKZ-UHFFFAOYSA-N 415.209 5.420 0 1 HKAF CC(C)COc1cccc(OCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1 587565520 CRLPITLXADBLHE-UHFFFAOYSA-N 402.498 5.008 0 1 HKAF CCc1ccc([C@@]2(c3cccnc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587585636 GGYSDWJMOXBWSS-IGKIAQTJSA-N 423.468 5.255 0 1 HKAF CC(C)(C)[C@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602183 XDDSYBCNLMOOFI-YIXXDRMTSA-N 414.501 5.784 0 1 HKAF CCOC(=O)c1c(-c2cnn(CC)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628277 QMLDNAUOXWWNEZ-UHFFFAOYSA-N 419.325 5.266 0 1 HKAF CCOC(=O)c1c(-c2cc(F)cc(Br)c2)[nH]c2ccc(F)c(Cl)c12 587629387 NJDRSVHWIRZEEH-UHFFFAOYSA-N 414.633 5.706 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2c1 587640661 HYTRPDPHAVLNJY-LLVKDONJSA-N 408.851 6.914 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cccc(OC(F)(F)F)c1 587655314 BHRVHTXQVUTPPP-UHFFFAOYSA-N 418.321 5.230 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(Cl)c2Cl)N1 587700699 ZZUYFRGANOZTEB-XYZCENFISA-N 403.122 5.693 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(F)cc(F)c2)(C(F)(F)F)N1 587709170 IZYAXZVIPCZTSI-BCTVWOGZSA-N 424.182 5.207 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C)c2ccc(C(F)(F)F)cc2)N1 587712909 MBCHYPPEWVYEEC-YRUZYCQGSA-N 416.256 5.986 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccc(C(F)(F)F)cc2)N1 587716260 UBXMFKKNXKCUON-HBRSOCQSSA-N 414.240 5.896 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCSc3c(F)ccc(F)c32)N1 587737211 YVMHTGYEKVGUEW-DYBLOJMWSA-N 414.290 5.140 0 1 HKAF CCC[C@@H](CC1(c2nc3ccc(C)c(C)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782113 PUSIHWYMQMBRSQ-QFIPXVFZSA-N 418.581 6.541 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(C)(C)C)[nH]c3ccccc23)N1 587790131 HPIHDOOBPAXEPA-YUNKPMOVSA-N 415.350 5.991 0 1 HKAF Cc1cc(C)c2[nH]c(C)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587800538 BJJJNTXTIHJTDM-GTJPDFRWSA-N 401.323 5.618 0 1 HKAF CC(C)c1cccc2c1OCCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587835891 RFOVLMXNXNLTFY-PEBXRYMYSA-N 418.350 5.662 0 1 HKAF CC(C)(C)OC(=O)NCc1cccc(-c2nc(-c3cc(F)ccc3F)cs2)c1 587921909 BCICGJXKLDOPIZ-UHFFFAOYSA-N 402.466 5.780 0 1 HKAF Cc1c(F)ccc2c1[C@@](c1ccccc1Cl)(c1ccccc1CN1CCC1)NCC2 962297116 IEDUAZSPVKBKKG-SANMLTNESA-N 420.959 5.431 0 1 HKAF COc1ccc2c(c1OC)[C@@](c1cc(Cl)cc(Cl)c1)(C1CC1)N(C)[C@H](C)C2 962634115 PYVUZQQOUWELQO-DMZKTXOQSA-N 406.353 5.541 0 1 HKAF CCOc1ccc([C@]2(c3ncccc3C)NCCc3cccc(-c4ccccc4)c32)cc1 962663785 GTPCOLCHSMQGTO-LJAQVGFWSA-N 420.556 5.893 0 1 HKAF CCOC(=O)[C@@H](CC)[C@]1(c2cccc(C)c2)NCCc2cccc(-c3ccccc3)c21 962664776 KLVSVBHKHUNRJG-NAKRPHOHSA-N 413.561 5.641 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C=C(SC)SC)(c2ccccc2C)N1 962944461 HYLNBWUFJZTECC-XDHUDOTRSA-N 408.636 6.212 0 1 HKAF CN(Cc1ccc(F)cc1)c1cc([C@H](Nc2ccc(F)cc2)C(F)(F)F)ncn1 1772631911 ILVOPPAHUXZDLM-IBGZPJMESA-N 408.374 5.107 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC=C2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857601604 TZMNZSROTXXMLX-KUTOPBQCSA-N 400.691 7.635 0 1 HKAF COC(=O)[C@H](CC(C)C)NC(=O)[C@]1(C)CCC[C@@H]2c3ccc(C(C)C)cc3CC[C@H]21 1857603626 YWZJJMMOCBAQIM-KWNHSTDBSA-N 413.602 5.350 0 1 HKAF O=C(c1ccc2ccccc2c1)C(F)(F)[C@H](NCc1ccccc1)c1ccccc1 1857768680 PRQNPTSOILNGAW-XMMPIXPASA-N 401.456 6.189 0 1 HKAF CCOc1ccc(NC(=O)c2cc(-c3cc4ccccc4o3)nc3ccccc23)cc1 1911576695 BYVHLXLGUZWXPM-UHFFFAOYSA-N 408.457 6.299 0 1 HKAF Cc1cc(O)cc2c1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1C[C@@H]1O[C@]3(CC[C@H](C)CO3)[C@H](C)[C@@H]12 2356436611 SOJHOFMFPXJBPI-KSEFEAKSSA-N 410.598 5.961 0 1 HKAF C[C@H](C(=O)CC[C@@H](C)CO)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356469775 ANPHLQXCHVRCDX-YRXKYOHKSA-N 416.646 5.540 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC(C)(C)[C@@H]2CC=C(C)[C@H](CC[C@H](C)CC(=O)O)[C@@]2(C)C1 2356575198 FIDMJZXGMPOOHA-CHSJKXJWSA-N 404.591 6.164 0 1 HKAF C[C@@H]1c2ccoc2C[C@@H]2[C@@H]1CC[C@]1(O)C(C)(C)[C@H](OC(=O)c3ccccc3)CC[C@]21C 2356584493 GHDYDSFLVJFLBO-HFAJTLAXSA-N 422.565 5.748 0 1 HKAF COc1ccc(-c2nccc3[nH]nc(-c4cccc(OC(F)(F)F)c4)c23)cc1OC 82078713 KCIAZUWRXXPZDK-UHFFFAOYSA-N 415.371 5.208 0 3 HKAF N=c1c2c(ccn1Cc1ccccc1)Oc1ccc3ccccc3c1[C@@H]2c1ccccc1 102738126 OVXBGBPOTMGUGI-SANMLTNESA-N 414.508 6.455 0 3 HKAF CC(C)(C)c1noc(-c2ccc(-c3ccccc3)cc2)c1C(=O)N[C@@H]1CCCC[C@H]1O 775488 JGXLUJHMLXKRCO-NHCUHLMSSA-N 418.537 5.339 0 1 HKAF CN1C(=O)c2ccccc2Sc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21 8608018 VIVZHEBBWHGQKT-UHFFFAOYSA-N 408.910 5.262 0 1 HKAF CN(C)CCc1ccc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 13588177 IXKNBAGOTATIPL-UHFFFAOYSA-N 413.550 5.687 0 1 HKAF CCCCN(C)C(=O)CCS[C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 13600958 WFWABMOYBVSPBB-QHCPKHFHSA-N 415.599 5.369 0 1 HKAF Cc1cc(C)c(Nc2nc(C)nc(NCc3ccc(C(F)(F)F)cc3)n2)c(C)c1 13759959 RXJUNCIHCQGQGJ-UHFFFAOYSA-N 401.436 5.480 0 1 HKAF CC(C)=CCN1c2cc(Br)ccc2[C@@]2(CC=C(C)C)CC(=O)N(C)[C@H]12 15217249 UKUFKGOAWMVCIL-NHCUHLMSSA-N 403.364 5.018 0 1 HKAF biogenic CCc1c(COc2ccc(/C=C3\SC(=S)N=C3O)cc2)ccc(C(C)=O)c1O 26279049 QZQBHGBNNMUDCZ-ZDLGFXPLSA-N 413.520 5.065 0 1 HKAF O=c1c(O)c(-c2cccc3ccccc23)cc(-c2cccc3ccccc23)c(O)c1O 27421340 MTDKHAPKJNNTIB-UHFFFAOYSA-N 406.437 5.804 0 1 HKAF CCCCc1cc(=O)oc2c3c(c4c(c12)O[C@H](c1ccccc1)C=C4)O[C@H](C)CC3=O 29133175 KYAMLCNSTRSCGH-QRWLVFNGSA-N 416.473 5.636 0 1 HKAF COc1ccc([C@H](C(=O)c2ccccc2)c2ccc(OCCN3CCCC3)cc2)cc1 29406486 SKGZPVMFLDEHQK-SANMLTNESA-N 415.533 5.185 0 1 HKAF CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1 66259845 JMTWRSDESYFLOX-UHFFFAOYSA-N 418.581 5.404 0 1 HKAF COc1cc2c(cc1OC)[C@H](C(C)C)N(Cc1coc(-c3ccc(F)cc3)n1)CC2 72101550 QBOZAIZBMCZJAM-QHCPKHFHSA-N 410.489 5.253 0 1 HKAF COc1cc(-c2ccc(NC(C)(C)c3ccc(F)cc3)nn2)ccc1-n1cnc(C)c1 72176283 ODXPUONRDWLUNA-UHFFFAOYSA-N 417.488 5.133 0 1 HKAF CC/C=C/C/C=C/C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 85617188 SOQKXJABGLKWQX-DDQMTQTPSA-N 408.626 8.442 0 1 HKAF CC(C)=C1CC[C@@H](C)[C@]2(C[C@@H](c3ccoc3)OC2=O)[C@H]1CCNC(=O)OC(C)(C)C 96914157 IMPXGGIBNYTUMC-VUYBDXIFSA-N 417.546 5.551 0 1 HKAF N=C(NCC1CCCCC1)c1c(O)nsc1Nc1ccc(Nc2ccccc2)cc1 101101154 SERDHGHSXPENLL-UHFFFAOYSA-N 421.570 5.831 0 1 HKAF CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 103222291 OASGUUSUZSAIFL-FQEVSTJZSA-N 413.304 6.259 0 1 HKAF CCCCCCn1c(N)nc2cc(NC(=O)c3ccc(CCCCC)cc3)ccc21 169329044 HRMOUIUEMCIRSY-UHFFFAOYSA-N 406.574 6.184 0 1 HKAF CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)[C@@H](c2ccc3ccccc3n2)NC(=O)N1 206458418 UVUSPHOSKCVAHD-JOCHJYFZSA-N 423.501 5.015 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1=CC[C@H](C2=CC(=O)O[C@H]2O)O[C@H]1O 238731758 GIRSFGZJCQRVIO-YVOSVILWSA-N 416.558 5.021 0 1 HKAF C[C@@H]1CC[C@@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@@]5(C)[C@@H]4CC[C@]3(C)[C@H]1[C@H]2C 253986424 GMBQZIIUCVWOCD-QJDWGSGBSA-N 416.646 5.794 0 1 HKAF COc1ccc(Oc2cc(NC[C@H]3CC[C@H]4C[C@H]3C4(C)C)ncn2)c2ccccc12 299887851 ZNTNTKVQCJZOOE-FUHIMQAGSA-N 403.526 5.915 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc4ccc(F)cc4oc3=O)nc3ccc(O)c1c23 586989104 WQGNTUWHDUPLSD-UHFFFAOYSA-N 409.372 5.064 0 1 HKAF COc1cccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c12 586997962 GFDBQZHTQZZAAW-UHFFFAOYSA-N 409.283 5.580 0 1 HKAF Fc1cc(Br)c2[nH]c(-c3cc4ccc(Br)cn4c3)nc2c1 587007311 ZSLONSWRJFAART-UHFFFAOYSA-N 409.056 5.147 0 1 HKAF O=C(Nc1nc(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)cs1)c1cccs1 587020093 WEUTXYQOMQPXRV-UHFFFAOYSA-N 409.323 5.231 0 1 HKAF CC(C)COc1cc2[nH]c(-c3cc4c(s3)CC[C@@H](C)C4)nc2cc1Br 587034685 YANADKJOPBIDHH-GFCCVEGCSA-N 419.388 6.214 0 1 HKAF Oc1c(Br)ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 587052055 WIYCBWFZNOXFQO-UHFFFAOYSA-N 424.081 6.265 0 1 HKAF CCCOc1cc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2cc1Br 587057099 NMXVQBOYIZXWBN-CQSZACIVSA-N 408.727 5.010 0 1 HKAF C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccc(F)c2[nH]1 587057414 WFVXBKCTOZASQY-LBPRGKRZSA-N 417.267 6.941 0 1 HKAF COC(=O)c1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2n1 587073194 GJRSRUDQIXCNOB-OBGWFSINSA-N 417.896 5.571 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(Br)c(F)c2[nH]1 587074105 PYJGGLNEJNKRQJ-UHFFFAOYSA-N 415.693 6.760 0 1 HKAF Cc1cc(Br)cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 587076737 MWMPGBOGIKRSNM-UHFFFAOYSA-N 417.694 5.122 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(N5CCN(C)CC5)cc4)nc13)-c1ccccc1C2=O 587097260 MQMOXIRONFPVDV-UHFFFAOYSA-N 419.528 5.173 0 1 HKAF COc1ccccc1C[C@@H]1CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587097382 LXYSLNGLBLVNMV-SFHVURJKSA-N 405.497 6.036 0 1 HKAF Fc1c(F)c(F)c(/C=C/c2nc3c(Br)cnc(Cl)c3[nH]2)c(F)c1F 587132131 KQOXGVAKMQIRTR-OWOJBTEDSA-N 424.554 5.240 0 1 HKAF CCCCC(CCCC)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587364836 FBQHYPYOYCUIPA-UHFFFAOYSA-N 401.550 8.121 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(-c3ccc(C(F)(F)F)cc3)n1)O2 587382677 NTFIDKJEDRXWJA-QGZVFWFLSA-N 404.413 5.426 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2c(ccc3c(C)cccc23)-c2occ(C)c21 587412344 NLQAOQTUCMIVIY-MHZLTWQESA-N 423.468 5.664 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(C(C)C)cc4)[nH]c4ccccc14)[C@@H](C2)C3=O 587439008 SZOQIGJCNPGMBX-RBTNQOKQSA-N 423.512 6.456 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1cccc(C(F)(F)F)c1)CC2=O 587464211 LIALXVVJYYLKRG-NRFANRHFSA-N 421.415 5.116 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Oc3ccc(OC)cc3)cc1)CC2=O 587485071 YMDOFCQRUIIGFX-SANMLTNESA-N 418.489 6.026 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(c2ccccc2)=COc2cc(O)ccc21 587494687 ZRLRTGTYFHGBBM-AREMUKBSSA-N 414.457 5.345 0 1 HKAF CCC[C@@]1(c2ccc(OC(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587503284 GFVIXCGEFXWUOM-QFIPXVFZSA-N 404.428 6.125 0 1 HKAF COc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 587527535 WJLDEQQTLXEAFC-AREMUKBSSA-N 400.474 5.189 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cc(F)c(Cl)c1F 587553431 AYFOUXVIQIYBAM-MGPUTAFESA-N 406.743 5.166 0 1 HKAF CCC(C)(C)c1ccc(OCc2nc3cc(Cl)cc(Br)c3[nH]2)cc1 587564926 PYISYNSKFNSOFF-UHFFFAOYSA-N 407.739 6.245 0 1 HKAF Cc1ccc(OCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 587565415 HKRVWYJFCKQADR-UHFFFAOYSA-N 403.320 5.638 0 1 HKAF O=C(c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C1CCCC1 587603495 PMNKPXBIZAQQGP-ATIYNZHBSA-N 414.457 5.468 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccsc2)n1 587610266 FJGYOEWAICIAPY-PXNSSMCTSA-N 407.472 5.280 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)c3cccc(OC(F)F)c3)c(C(F)(F)F)[nH]c12 587624659 QSNBMDAEVYDKGQ-UHFFFAOYSA-N 403.734 5.981 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC(F)(F)F)cc3)c(CC3CCCC3)c2c1 587640885 FWDIRDHWGHELPF-MRXNPFEDSA-N 415.499 7.980 0 1 HKAF COc1cc(Cl)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587691577 GOZWYNXZMDOTOK-CQLKUDPESA-N 419.121 5.527 0 1 HKAF CC1=C[C@@H]2C=C([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)C(Cl)=N[C@H]2C=C1 587708723 ZSFXDOGYDSBHBS-VMQKWGEKSA-N 421.741 5.242 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2cccc(C(F)(F)F)c2)N1 587710234 CNHSKNWEPDUXIR-NLJRPCGFSA-N 414.240 5.896 0 1 HKAF Cc1ccc(C)c([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587740747 KNCDCYIDTMMTMM-HKEMUXKASA-N 417.366 5.058 0 1 HKAF CCOc1cccc2[nH]cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 587801985 JMGUHBCSIRSDBJ-PRWKNARSSA-N 403.295 5.092 0 1 HKAF COc1cc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)C 587808478 QGCSGBKDFJUHGU-ASSNKEHSSA-N 406.339 5.652 0 1 HKAF CCCCCCC1(CCCCCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812836 LDMODYWWZJDLBQ-KRWDZBQOSA-N 412.431 7.259 0 1 HKAF Cc1cccc(-c2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 587820077 OPAMTGKNFQUTNB-CMJOXMDJSA-N 410.330 6.187 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccccc1 587858621 KNIFWAQZTYEQCW-ZDUSSCGKSA-N 405.281 5.363 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1c(C)cccc1C 587865203 XDGJRDRYZQHCDO-UHFFFAOYSA-N 418.415 5.304 0 1 HKAF COc1ccc([C@H]2NCCc3ccc(F)c(C)c32)cc1COc1cc(C)cc(C)c1 962148256 SIIRQADWTQPVDP-AREMUKBSSA-N 405.513 5.574 0 1 HKAF Cc1sc2c(c1C)CCN[C@@]2(Cc1ccccc1Br)c1ccco1 963007090 GIRLSWJYOXQFFY-FQEVSTJZSA-N 402.357 5.352 0 1 HKAF O=C(O)CC[C@]1(c2ccc(F)c(Cl)c2)NCCc2c(Cl)cc(Cl)cc21 963105255 HXRPSJMBYIOJPI-GOSISDBHSA-N 402.680 5.040 0 1 HKAF CCCC[C@@H]1CCC[C@]12c1c(ccc(OC)c1OC)CCN2C(=O)c1ccccc1N 963151683 YBJXLWZZXJSWSR-NIYFSFCBSA-N 422.569 5.170 0 1 HKAF CCCN1CCC(N(Cc2ccco2)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 1772576927 BFGIYZZPFRGARH-UHFFFAOYSA-N 409.452 5.207 0 1 HKAF COc1c(Cl)cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc1Cl 1772596817 NCJZQXPZUHLUSP-UHFFFAOYSA-N 415.244 5.945 0 1 HKAF COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)C=Cc2ccccc2)cc1 2356289600 DVTCVHHMJPHVPH-MHZLTWQESA-N 408.501 5.364 0 1 HKAF CC(=O)[C@@H]1C(C)(C)C[C@@H]2C[C@H](C)C[C@@H]2[C@H](OC(=O)C=Cc2ccccc2)[C@]1(C)C(C)C 2356698823 POKZVPGYYXWMBO-WRYQOITHSA-N 424.625 6.571 0 1 HKAF O=C(OCc1c(-c2ccccc2)ncc2ccccc12)c1ccc(Cl)cc1Cl 36388754 KNCKPPKYMPOGNR-UHFFFAOYSA-N 408.284 6.566 0 3 HKAF Cn1c(NCc2ccccc2)nc2cc(-c3cccc(C(F)(F)F)c3)sc2c1=O 61930671 AUIZCSQDMDGMOX-UHFFFAOYSA-N 415.440 5.293 0 3 HKAF O=C(c1ccccc1F)N1CC[C@H]2C[C@H]1c1cc(-c3ccc4c(c3)OCO4)ccc12 102911814 OBLBPUMQXLQMDZ-JTSKRJEESA-N 401.437 5.296 0 3 HKAF O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccccc1O 1004178 ZSTMBJFTOQPVFM-UHFFFAOYSA-N 401.249 5.204 0 1 HKAF O[C@@H](c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12)[C@H]1CCCCN1 1591918 IIKOXHYTYFKHKD-NQIIRXRSSA-N 421.755 6.038 0 1 HKAF COc1ccc(-c2noc(-c3ccc(Cl)cc3F)c2C(=O)N[C@@H](C)C(C)C)cc1 2480857 HTVVCACRAUJNHS-ZDUSSCGKSA-N 416.880 5.584 0 1 HKAF COCCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)cc1F 2481232 XSWOBHJCBSCSIX-UHFFFAOYSA-N 423.271 5.221 0 1 HKAF O=C(Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)N1CCCCC1 13607373 KKRWEGYWRZERQV-UHFFFAOYSA-N 422.743 5.517 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CNC[C@@H](C)CC/C=C(\C)CCC=C(C)C 13827375 FJTBCGHISSWGME-YIACLRQHSA-N 413.734 9.104 0 1 HKAF CC/C(=C(\c1ccccc1)c1ccc(OCCN2CCNCC2)cc1)c1ccccc1 22934047 IFDAIDIIWPDTHT-DQSJHHFOSA-N 412.577 5.340 0 1 HKAF CC(C)N(C(=O)[C@@H]1C[C@@H]2CC[C@@H]3[C@@H](CC[C@@]4(C)[C@@H]3CCC(=O)N4C)[C@@]2(C)C1)C(C)C 27898367 VMAUAPIAAHKASV-XDOCQRMWSA-N 416.650 5.111 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](CCC(=O)OC)OC(C)=O 28333503 GBKUBNVEVWTJNR-ZBELMAEESA-N 400.559 6.179 0 1 HKAF C[C@]1(C(=O)N2CCC[C@H](c3ccccc3)C2)CCC[C@]2(C)c3ccccc3CC[C@@H]12 28525357 KCTVTEAWWHOHNZ-KCPWBINCSA-N 401.594 6.103 0 1 HKAF C[C@]1(C(=O)NCC23CC4CC(CC(C4)C2)C3)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12 28526438 DHBIWVAWNUNKJG-WPKHNGPTSA-N 421.625 5.735 0 1 HKAF CC[C@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4C)oc3C)ccc21 28565228 KCTSMXXWKQWOHK-REWPJTCUSA-N 419.521 5.721 0 1 HKAF NC(=S)N(CC1CC1)c1ccc(OCCn2c3ccccc3c3ccccc32)cc1 28818383 UVFJWOFWQKQTGE-UHFFFAOYSA-N 415.562 5.334 0 1 HKAF FC(F)(F)c1cc(N[C@H]2CCC[C@H](NCc3ccsc3)C2)nc2ccccc12 28950892 BAPWSOFUQJAPJS-HOTGVXAUSA-N 405.489 5.828 0 1 HKAF CN(C)C12C[C@@H](OC(=O)C(C)(C)C)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 36474551 QTJGCUCNGLCPFR-MJAVHUAVSA-N 405.582 5.626 0 1 HKAF CCOC(=O)C1=C(C)NC(SCc2ccccc2)=N[C@H]1c1cccc2ccccc12 40914453 ANJDHEWHFOTJGJ-QHCPKHFHSA-N 416.546 5.611 0 1 HKAF CCc1cnc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccccc2)s1 82162694 FHQSMPPOUDACFS-UHFFFAOYSA-N 406.942 6.095 0 1 HKAF FC(F)(F)c1cccc(Sc2ccc3nnc(-c4cccc(Cl)c4)n3n2)c1 95605067 CVLRVEIOISXDBB-UHFFFAOYSA-N 406.820 5.615 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 96014255 UIPYFONRKZTOIY-GQZGFCDBSA-N 400.691 7.779 0 1 HKAF in-vitro Clc1cccc(C[n+]2ccc3c4ccccc4n(CCCc4ccccc4)c3c2)c1 96922748 YUSYUYCSCUNXRR-UHFFFAOYSA-N 411.956 6.417 0 1 HKAF CCN1CCC(Cn2cncc2CNc2ccc(Cl)c(-c3ccccc3)c2)CC1 96940279 DOTOIUWVQGMFLK-UHFFFAOYSA-N 408.977 5.548 0 1 HKAF Cc1ccc(F)c(-c2nc3ccn(Cc4ccc(OC(F)(F)F)cc4)cc-3n2)c1 100068541 DKUVOSFSXNJCNG-UHFFFAOYSA-N 401.363 5.444 0 1 HKAF CCCCN(CCCC)C[C@H](O)c1cc(-c2ccccc2)nc2ccc(OC)cc12 100676413 RXHOPRJTEMAFCF-SANMLTNESA-N 406.570 5.846 0 1 HKAF CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(N(CC)CC)cc1 100704777 FGVHYDPQSPIWEA-SFHVURJKSA-N 424.570 5.354 0 1 HKAF Cc1ccccc1CSc1nc2n(n1)[C@H](c1cccs1)C1=C(O)CCCC1=N2 102350291 CBQDXHFRISTFID-LJQANCHMSA-N 408.552 5.612 0 1 HKAF CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(Cl)c2Cl)C2=C(O)CCCC2=N1 103522709 XAJFXTNPJBKSST-LJQANCHMSA-N 420.336 6.287 0 1 HKAF COc1cccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4cccs4)C3=C(O)C2)c1 104701322 KNQLJGLOUJWXEQ-VOIUYBSRSA-N 402.519 6.386 0 1 HKAF FC(F)(F)c1ccc(Nc2ccc(Oc3ncccc3-c3ccncn3)cc2)nc1 139330541 RGQUCNBSUPMXAX-UHFFFAOYSA-N 409.371 5.488 0 1 HKAF CC[C@@H](C)CNC(=O)c1ccnc(-c2ccc(CNCCCc3ccccc3)cc2)c1 206766998 HWKUGANVWBQZHD-OAQYLSRUSA-N 415.581 5.247 0 1 HKAF CC(C)C/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255224130 KUVJXIWTCCCGQO-RSLLDVHLSA-N 400.691 7.491 0 1 HKAF CCCOc1ccc2c(c1)[C@@H](N1CCN(C(=O)c3ccccc3)CC1)c1ccccc1-2 473105994 WASPQTVPNHATQS-SANMLTNESA-N 412.533 5.003 0 1 HKAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586964118 VDUKLXOHHFEJAY-GFCCVEGCSA-N 418.828 5.162 0 1 HKAF Cc1cc(Cl)cc2c1OCCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586985025 DOKFUAFIYXFZIM-UHFFFAOYSA-N 413.860 5.716 0 1 HKAF CCc1c(-c2ccc(Cl)cc2Cl)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586985429 HAYBWYOCSPVMPP-UHFFFAOYSA-N 420.295 6.688 0 1 HKAF Brc1cc(/C=C/c2nc3cc4ccccc4cc3[nH]2)cc2c1OCCO2 587000118 GAJKOFRHJFSPSF-AATRIKPKSA-N 407.267 5.420 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c(-c3cnn4cccc(Br)c34)nc2c1 587006935 SLEFUQZQYDVRRD-UHFFFAOYSA-N 415.600 5.312 0 1 HKAF Oc1c(Br)ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 587016302 UXFHUCINIJFNLN-UHFFFAOYSA-N 406.692 5.475 0 1 HKAF Clc1cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c(Cl)n1 587018106 UPIQCMRVOIOBHB-UHFFFAOYSA-N 413.293 5.680 0 1 HKAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)s1 587023460 QJAFNLRWOGEWNM-UHFFFAOYSA-N 418.828 5.706 0 1 HKAF Cc1c(Br)ccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587030040 YXKRPLZZGKFFSE-UHFFFAOYSA-N 400.301 5.336 0 1 HKAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cccc(Cl)c3[nH]2)c1 587049164 PQNKGRDUJSFDRI-MDZDMXLPSA-N 417.296 5.260 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c2)c1 587051243 ZQDYEOLMHUOEDX-UHFFFAOYSA-N 401.680 6.670 0 1 HKAF FC(F)(F)Sc1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587052301 ZYFBJFHSUGBZRO-VHSXEESVSA-N 403.256 6.753 0 1 HKAF CC(C)COc1cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2cc1Br 587086667 BUSGNGRAJRNKLZ-UHFFFAOYSA-N 418.722 6.162 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(/C=C\c4ccc(C)c(F)c4)[nH]c3c2)cc1 587146547 PRSMGOQABVKQDP-XGICHPGQSA-N 402.425 5.760 0 1 HKAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 587159876 WTQYMFXMBLOGOE-UHFFFAOYSA-N 414.337 5.866 0 1 HKAF C[C@H](CSc1ccc(F)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587170188 LTGBQBQMKGEGJC-MRVPVSSYSA-N 401.251 5.639 0 1 HKAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587195830 OCOSWSFCRKCUAX-SNVBAGLBSA-N 401.354 5.818 0 1 HKAF CC(C)COc1cc2nc(-c3ccc4ccccc4c3N)[nH]c2cc1Br 587254430 PSSWBMYWQQPCRE-UHFFFAOYSA-N 410.315 5.763 0 1 HKAF Cc1ccc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)oc2c1 587353262 MTGPJUAZFJHRLK-ILBGXUMGSA-N 402.421 5.860 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(Br)cc1)O2 587373308 UCCSQJFWMMJWCI-JOCHJYFZSA-N 408.295 5.249 0 1 HKAF C[C@]1(c2cc3c(s2)CCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587374699 PRIMULBHEAULFL-ISKFKSNPSA-N 408.494 5.746 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(C)(C)C)[nH]c3ccc(-c4ccccc4)cc13)O2 587397476 WFLNHIQDCIGTSY-XMMPIXPASA-N 424.544 6.730 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4cccc(C(F)(F)F)c4)c1)[C@@H](C2)C3=O 587423613 UCXYWPOUMIHYHN-WMZHIEFXSA-N 410.391 5.870 0 1 HKAF COc1cc2c3c(c1)O[C@](Cc1ccc(Cl)cc1)(c1cccc(F)c1)[C@@H](C2)C3=O 587426589 DZTZGDNSJGPLJX-GBXCKJPGSA-N 408.856 5.373 0 1 HKAF CCc1cc2c(n1Cc1ccccc1)CCC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429998 FHIKEQVDKHHMPL-AJTFRIOCSA-N 413.517 5.087 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OC(C)C)cc1Cl)CC2=O 587459896 IVNRDQFFNRURIS-IBGZPJMESA-N 404.890 5.500 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccc(Cl)cc1)(c1ccc(C)cc1)CC2=O 587463256 UMRWBZHLCZETAD-AREMUKBSSA-N 420.936 6.410 0 1 HKAF COc1c(Cl)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587498005 FAIOLPVPSOSKHR-GOSISDBHSA-N 421.718 5.696 0 1 HKAF O=C1C[C@@H](c2ccc(Oc3cc(F)cc(F)c3)cc2)Oc2c1ccc1c2CCCC1 587503058 KPMHVYTVAGTNOX-DEOSSOPVSA-N 406.428 6.342 0 1 HKAF COC(=O)c1sc2ncc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1C 587537814 KNQRJNFKZUSVJH-XMMPIXPASA-N 421.518 5.151 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1cccc(C(F)(F)F)c1 587543299 BNDXWOHHZXVSCK-UYAOXDASSA-N 414.379 5.374 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1OCC1CC1 587574119 ZASMXSBUYDMPGJ-URXFXBBRSA-N 406.409 5.023 0 1 HKAF CCCCCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587597569 QXVVVLOSIJHRCK-OZXSUGGESA-N 418.489 6.054 0 1 HKAF C[C@]1(c2ccc3c4c(cccc24)CC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600701 BVXHALIGVPNXPA-RPLLCQBOSA-N 408.453 5.521 0 1 HKAF Fc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccc(Cl)cc2Cl)cc1 587630238 HOUOLEHZETYMRF-UHFFFAOYSA-N 408.662 7.740 0 1 HKAF CCOc1ccc(-c2nn(-c3cccc(Cl)c3)c(=O)c3ccccc23)cc1OCC 587669523 SMQBJEKYARJYLF-UHFFFAOYSA-N 420.896 5.504 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ncc3ccccc23)N1 587703335 GTUQTRGTTXNIMH-MLCYQJTMSA-N 405.698 5.413 0 1 HKAF Cc1onc(-c2ccc(F)cc2)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587731566 HDKBODJNVFOFHX-CFMSYZGJSA-N 419.269 5.314 0 1 HKAF CC(C)CCOc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587788831 AFOXMSUFUFMJHQ-SPLOXXLWSA-N 406.339 5.637 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2/CCCO2)(c2ccccc2)N1 587831786 ABXLAMMDLLBJJT-VBGFEGBESA-N 402.307 5.060 0 1 HKAF Cc1cc2c(cc1C)[C@]1(CCCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587835289 OYVHBVNPCNFEAS-LHSJRXKWSA-N 404.323 5.155 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=N)c1ccc2ccccc2n1 587865134 VVIUMIUGBZVXMQ-UHFFFAOYSA-N 410.399 5.389 0 1 HKAF Fc1ccccc1-c1cnc([C@H]2Cc3c([nH]c4ccccc34)[C@@H](C3CCOCC3)N2)[nH]1 653723250 FFYJQSILEVAQNN-FYYLOGMGSA-N 416.500 5.052 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@]12CCC[C@@H](c1ccc(Cl)s1)C2 962400161 SQIGAVZIXWLRKD-OPAMFIHVSA-N 417.043 6.413 0 1 HKAF COc1ccc2c(c1OC)[C@@](CC(=O)c1ccc(C)cc1)(C(C)(C)C)N(C)[C@@H](C)C2 962574345 ULPLOEPOEMQKAS-QYBDOPJKSA-N 409.570 5.403 0 1 HKAF CCCN1[C@H](c2cccn2-c2ccc(Br)cc2)c2ccccc2C[C@H]1C 963256182 BMHSVUVUDUWIPU-HXOBKFHXSA-N 409.371 5.986 0 1 HKAF Cc1cccc(Cl)c1NC(=O)[C@]1(C)C[C@H]2c3ccccc3[C@H]1c1cc(Cl)ccc12 1857549337 NSZAGJSYVKKYOE-UWDQQESISA-N 422.355 6.928 0 1 HKAF COc1c(-c2ccc(OC)c3c(OC)cc(C)cc23)c(O)cc2c1[C@@H](C)N(C)[C@H](C)C2 1857578172 LJOLOTQJTYGVTJ-HZPDHXFCSA-N 421.537 5.484 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356501356 WPBKHQNOGAVHPB-AKZXKJSBSA-N 412.702 7.945 0 1 HKAF CC(C)CC=C[C@H](CO)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356505445 FJZWOTQYPZTQLK-QCYZZNICSA-N 402.663 6.217 0 1 HKAF CC(C)C[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(Cl)ccc1c2=O 61921319 OAZWHDQIXVEXEB-HXUWFJFHSA-N 417.896 5.023 0 3 HKAF CCN(C(=O)CCc1cn(CC)c2ccccc12)c1ccc(Oc2cccnc2)cc1 199265435 LNLNJXDZZXHJSS-UHFFFAOYSA-N 413.521 5.834 0 3 HKAF CSC1(SC)N2Cc3ccccc3N=C2C1(c1ccccc1)c1ccccc1 1656610 RVJDAJWAQCTALO-UHFFFAOYSA-N 402.588 5.912 0 1 HKAF O=C(NCc1ccccc1)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F 2483076 DUPNQGMKOUXUJP-UHFFFAOYSA-N 424.834 5.870 0 1 HKAF Cc1nc2cnccc2n1CCCO[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)O1 11687518 MOKMUEQGGPEMDJ-VQTJNVASSA-N 406.313 5.331 0 1 HKAF c1ccc2c(N3CCCCCC3)nc(CN3CCCC[C@H]3c3nccs3)nc2c1 11995971 LNQUTXDBNSTLOD-FQEVSTJZSA-N 407.587 5.194 0 1 HKAF COC(=O)N1CC[C@@H]2C[C@@H](Sc3ccccc3)c3cc(Cl)nc(Cl)c3[C@@H]21 13586638 CZADGNJKJMSUSC-JDSLSITLSA-N 409.338 5.755 0 1 HKAF Cc1cccc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c12 13737643 NXKIDZWZKSAHSH-UHFFFAOYSA-N 423.850 6.786 0 1 HKAF CCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](C)C(=O)NCCF 13766087 GNIZQTFYBNNAMS-AXCQEZDQSA-N 419.669 7.880 0 1 HKAF O=C(O)COc1c(C(=O)O)sc2c1sc1cc(NCC3CCCCC3)ccc12 14955032 RAAYMVZICJRQFW-UHFFFAOYSA-N 419.524 5.270 0 1 HKAF COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@@H]23)c2c1OC(C)(C)C2 26500353 WPKUFAIEVOBXTL-UYAOXDASSA-N 422.569 5.260 0 1 HKAF Fc1ccc(-c2[nH]c(-c3ccc(Br)s3)nc2-c2ccncc2)cc1 26508746 NBCXZLPCCIVOKY-UHFFFAOYSA-N 400.276 5.769 0 1 HKAF CC[C@@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4C)oc3C)ccc21 28565230 KCTSMXXWKQWOHK-OFNKIYASSA-N 419.521 5.721 0 1 HKAF CC(C)=CCc1cc([C@@H]2CC(=O)c3ccc(O)cc3O2)c(O)c(CC=C(C)C)c1O 31170058 YBZDQCJHEVQZHH-QHCPKHFHSA-N 408.494 5.527 0 1 HKAF biogenic COc1cc2c(cc1OC)Sc1ncnc(Nc3ccc(F)c(Cl)c3)c1NC2 38149515 NAMKSNOXLTXFEG-UHFFFAOYSA-N 418.881 5.107 0 1 HKAF CN1CCC[C@@H](c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)C1 40935803 POYRSGAKCBVQQE-JOCHJYFZSA-N 422.661 5.985 0 1 HKAF O=C(c1ccccc1-c1ccccc1)[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1 43014738 GVJBLPDTPTULKQ-XMMPIXPASA-N 409.504 6.351 0 1 HKAF Cc1cccc2nc(-c3cccc(-c4ccc(CNCCc5ccncc5)cc4)c3)[nH]c12 45226787 UJPFDOMWNNFBDJ-UHFFFAOYSA-N 418.544 5.933 0 1 HKAF C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(C(=O)c3ccccc3)C[C@@H]21 73158224 MSNQMTTUFQUCKG-IDHHARJASA-N 412.455 5.625 0 1 HKAF CCCCCn1c(-c2ccc(OC)cc2)nc2c(NCc3cccc(F)c3)ncnc21 82181437 IBVFYPHWHMTFKW-UHFFFAOYSA-N 419.504 5.443 0 1 HKAF COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(SC)cc1 96177209 IUQRETOXVYWLAA-FQEVSTJZSA-N 407.539 5.188 0 1 HKAF CCOc1cccc(F)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2ncc(C)s2)c1 167556620 RIRYXIASDPQCQR-FOIQADDNSA-N 424.541 5.766 0 1 HKAF FC(F)(F)c1ccccc1-c1cccc(NCc2ccc(-c3cccnc3)cc2)c1 169304957 QHESLYFMTFUQFJ-UHFFFAOYSA-N 404.435 7.047 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@H]1c1cccc(-c2ccccc2)c1 169728370 ZSAXOEADISZRSG-ZEQRLZLVSA-N 401.506 5.344 0 1 HKAF CCCc1ccc(/C=C2\C=C(CCN3CCOCC3)c3ccccc32)c2ccccc12 206949141 LNMJOKWZPNIBKY-LKUDQCMESA-N 409.573 6.452 0 1 HKAF CCCCCCC(C)(C)/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCC 231934498 IRYRMYBLFNDWKY-KBPVOGQWSA-N 401.679 8.075 0 1 HKAF Cc1cc2[nH]c3ccccc3c2c2c1CC[C@]13[C@@H](O)CC[C@@H](C)[C@]1(C)[C@H](O)C[C@@H](C)[C@H]23 238747092 CXQOHHTZVIKVEM-YMNOXGDTSA-N 417.593 5.844 0 1 HKAF C=C(Nc1ccc(C(C)(C)C)cc1)N1[C@H]2CC[C@@H]1C[C@H](S(=O)(=O)c1ccccc1)C2 253805212 KJMLHNUYGCMMLF-FIDNPTQWSA-N 424.610 5.337 0 1 HKAF C[C@H]1CC[C@]2(NC1)O[C@@H]1C[C@@H]3[C@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 255282619 XYNPYHXGMWJBLV-DLFCXVAKSA-N 415.662 5.367 0 1 HKAF Cc1nc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)c(-c2ccccc2)s1 473090672 XDICDRGPXZPGOR-QGZVFWFLSA-N 410.514 5.189 0 1 HKAF Cc1ccc2[nH]c(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nc2c1C 586983845 JPIPJHBWEBUDMG-UHFFFAOYSA-N 420.310 5.862 0 1 HKAF CCOc1cc(Cc2c(C)nc3ccc(O)c4c3c2-c2ccccc2C4=O)ccc1O 586990777 FBYQWUJLAWSBES-UHFFFAOYSA-N 411.457 5.155 0 1 HKAF Clc1nccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 587000383 MWUXJJREKBNSQU-UHFFFAOYSA-N 414.694 5.048 0 1 HKAF Cc1cc(Cl)cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c12 587004381 WGPLKIOLPDBQSR-AWEZNQCLSA-N 403.711 5.011 0 1 HKAF CC(C)(C)c1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 587018734 MZGAXIVHBUXAHU-UHFFFAOYSA-N 405.523 5.346 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4c(F)c(F)c(Cl)cc4[nH]3)cc2)n1 587020294 MAEIZLAILQKQEM-UHFFFAOYSA-N 407.898 6.219 0 1 HKAF Cc1cc(Br)c2[nH]c(COc3ccccc3C3SCCS3)nc2c1 587040663 ISDCAJDLRNOCKA-UHFFFAOYSA-N 421.385 5.691 0 1 HKAF Clc1cccc(COc2ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cc2)c1 587068888 BFGXBZSBPBKPJY-UHFFFAOYSA-N 406.869 5.624 0 1 HKAF Fc1cc(C(F)(F)F)c2nc(-c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587071817 SBSPWZDYQJOBKC-UHFFFAOYSA-N 420.793 6.620 0 1 HKAF CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C/c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099900 XAHZLLOXDWZBSL-QMYBCPIUSA-N 407.557 7.396 0 1 HKAF FC(F)(F)c1nn(CCc2nc3cc4ccccc4cc3[nH]2)c(C2CC2)c1Cl 587116251 AQIRVTQLAQFSHP-UHFFFAOYSA-N 404.823 5.705 0 1 HKAF Fc1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1Br 587134429 LLHYHHQHDPKJOI-DAFODLJHSA-N 407.111 5.330 0 1 HKAF CC(C)CCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353623 LMDFKQWVLDJQBW-BDYUSTAISA-N 418.508 6.612 0 1 HKAF CCOC(=O)/C(=C/N(C)C)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587360643 QUYHPFFDDRAXFG-HMMYKYKNSA-N 416.477 5.122 0 1 HKAF CC(C)=C1Oc2cc(O)ccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587361170 XUEPZMBCXZIFHB-DHLKQENFSA-N 418.420 5.178 0 1 HKAF CCCCOc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 587364119 XKLJBRMUFGSMPI-UHFFFAOYSA-N 423.512 7.503 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C2CCCCC2)CCC3)c1 587365196 FPBZTYMFJGDRBK-OAQYLSRUSA-N 411.545 7.657 0 1 HKAF COc1cccc(-c2cc(-c3csc(C(=O)O)c3)nc3c2oc2ccccc23)c1 587365202 JWNKZGBTWHKQRW-UHFFFAOYSA-N 401.443 6.083 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1oc3ccccc3c1Br)CC2=O 587458038 FPITZDHPSXIRKG-OAQYLSRUSA-N 415.283 5.734 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(Oc3ccc(Cl)cc3)c1)CC2=O 587462583 PIRVBSAEPRKGOP-QHCPKHFHSA-N 408.881 6.497 0 1 HKAF CCC[C@]1(c2ccc(Oc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587525969 ULYXWUBILXLYQG-MUUNZHRXSA-N 412.529 7.019 0 1 HKAF COc1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587542357 ITPMURNPEBMEMA-REWPJTCUSA-N 410.853 5.017 0 1 HKAF C[C@]1(Cc2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544675 FTQFCROFCHFKOG-DENIHFKCSA-N 414.379 5.374 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(Cl)nccc2c1 587553304 VHCHIXVPIYEAMP-KNQAVFIVSA-N 403.821 5.297 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1-c1ccc(F)cc1 587573302 VSIYJHSHCMHKCL-SQJMNOBHSA-N 413.404 5.296 0 1 HKAF COc1ccc(-c2ccccc2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587598519 BJJZQJSKOVJJFE-SQHAQQRYSA-N 424.452 5.771 0 1 HKAF COc1cccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 587603062 ZRKUTJFNYYWIOT-IGKIAQTJSA-N 424.452 5.771 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(c1ccc(O)cc1)CC2 587607346 IDAIOGFCXXOEDQ-ADUWNVSDSA-N 402.446 5.156 0 1 HKAF Cc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2-c2ccccc2Br)cc1 587623989 VJXHVEVRNFXODY-UHFFFAOYSA-N 410.742 7.535 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(C)(C)C)c([C@@](O)(c3ccccc3)C(F)(F)F)c2c1 587640185 FXGYGZPOMWIQCO-CMJOXMDJSA-N 403.488 6.777 0 1 HKAF O=C(c1[nH]c2ccccc2c1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657768 ZMGFHNKEFDXFFN-UHFFFAOYSA-N 417.827 5.026 0 1 HKAF CC[C@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587710496 DBZCKGFVYLPUQF-ADLMAVQZSA-N 416.256 5.795 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccccc3F)no2)N1 587728365 RWWFSODPPYJTGK-OVWNDWIMSA-N 405.242 5.006 0 1 HKAF Cc1cccc(C)c1-n1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587755291 ONSKWDLPLGIRKE-BTYIYWSLSA-N 413.334 5.619 0 1 HKAF COC(=O)CCCCCCCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587812402 YYQIVBQXPTXOJE-IFXJQAMLSA-N 414.359 5.457 0 1 HKAF Cc1cc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C=O 587815814 QKFGHPUCFRHKCI-ZSEKCTLFSA-N 404.323 5.124 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCC(=O)O)(c2ccccc2)N1 587827611 LDQBEPJEVMXYEA-SPLOXXLWSA-N 420.322 5.011 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(O)cc3)s2)N1 587845329 DPWMTMZLVSEZMC-BIBXISHDSA-N 418.331 5.646 0 1 HKAF CSc1scc2c1[C@@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587852139 KMKRYIVABNEULI-MGNBDDOMSA-N 412.393 5.486 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2c(s1)C[C@H](C)CC2 587863799 JGDCLMFUNZPUME-GFCCVEGCSA-N 420.456 5.452 0 1 HKAF COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cnncc4[nH]3)CCCC(C)(C)[C@@H]1CC2 587931460 JGNNXPFCAYZJGW-UQBPGWFLSA-N 420.557 5.249 0 1 HKAF CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1-c1c(N)cccc1Br 587935607 CSXBJXGZEULGQP-UHFFFAOYSA-N 401.304 5.372 0 1 HKAF Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cnc(Cc3ccc(F)cc3)nc2)s1 587947313 VRZSQKOMYJWHON-UHFFFAOYSA-N 421.497 5.051 0 1 HKAF CCc1ccc(C[C@]2(Cc3ccc(Cl)cc3)NCCc3cc(C)c(F)cc32)nc1 962299429 NNSFDWAYUHDTKO-VWLOTQADSA-N 408.948 5.571 0 1 HKAF COc1ccc2c(c1OC)[C@H](c1ncc(-c3ccc(C(C)(C)C)cc3)o1)N(C)[C@@H](C)C2 962635134 QTMUSRIXQYEBPK-QMHKHESXSA-N 420.553 5.622 0 1 HKAF FC(F)(F)[C@@H]1CCC[C@]2(C1)c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962635396 NGTDPLBWQYAFRB-NWSQWKLXSA-N 400.488 5.381 0 1 HKAF CC[C@@]1(c2ccc(Cl)nc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962958548 QEOVDXCNXREXKB-FQEVSTJZSA-N 410.867 5.059 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@]3(c1cc(C)cc(C)c1)c1ccc(C)cn1 963046915 LTGBEXQMQIKESF-HHHXNRCGSA-N 409.533 5.001 0 1 HKAF C[C@@]1(c2cccc(-c3cccc(CC(=O)O)c3)c2)c2c(F)cccc2C[C@@H]2CCCN21 963114732 WKZQGSJOZNCCEK-WNCULLNHSA-N 415.508 5.404 0 1 HKAF COc1ccc([C@@H](CNC(=O)c2ccc(/C=C/c3ccccc3)cc2)n2ccnc2)cc1 1772589253 BMXAFZUXKDHTEC-DIJOXEGBSA-N 423.516 5.082 0 1 HKAF COc1ccc(N2C(=N)[C@@H](c3nc4ccccc4s3)C(=O)[C@H]2c2ccccc2)cc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c2ccccc2)[C@@H](c2cccc(OCCN3CCCCC3)c2)Oc2ccccc21 1612137 XIVLBELVDVKCRL-MUUNZHRXSA-N 411.545 6.226 0 1 HKAF c1ccc(CC2CCN(Cc3ccc(OCCCN4CCCCC4)cc3)CC2)cc1 13526554 SRZKSKAKSQZZRQ-UHFFFAOYSA-N 406.614 5.396 0 1 HKAF O=C(Cc1csc2ccccc12)N[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 13586760 OJILXUXJQHORBV-INIZCTEOSA-N 419.377 5.141 0 1 HKAF C=C(c1ccc(SC(=O)N(C)C)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C 27105508 DTHUCFLLOKELHU-UHFFFAOYSA-N 407.623 7.179 0 1 HKAF O[C@H](CCc1ccccc1)[C@@H]1CCC[C@H]1OCCc1ccc(OC(F)(F)F)cc1 28571158 AATPBSGADBLKLD-BHDDXSALSA-N 408.460 5.307 0 1 HKAF CCCN1N=C2/C(=C/c3ccc(OC)cc3)CSC[C@H]2[C@@H]1c1ccc(OC)cc1 29244201 MEEVCJNTBYJZIA-HEMBGHPDSA-N 408.567 5.273 0 1 HKAF CCCCN(Cc1cccc(O)c1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 34946696 ACIHLXUCCJMZLS-UHFFFAOYSA-N 421.381 5.511 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2/C(=C/c3occ4c3C[C@@H](O)CC4)CCC[C@@]21C 40641267 JDORDYYPUXBNLV-YVJIJOMKSA-N 414.630 6.306 0 1 HKAF Cc1cccc2nc(-c3cccc(-c4ccc(NC(=O)Cc5ccccn5)cc4)c3)[nH]c12 45210129 TZFPBVNZVJHVJZ-UHFFFAOYSA-N 418.500 5.782 0 1 HKAF CN(C)C12CCN(CCc3ccccc3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 45317952 ODTDMOVMBQWMEM-HZVHRBLSSA-N 424.632 5.965 0 1 HKAF Cc1cc2nc(-c3ccc(/C=C\C(=O)NCCCc4ccccc4)cc3)[nH]c2cc1C 51028102 YOQQAZWPPOMVGX-QINSGFPZSA-N 409.533 5.609 0 1 HKAF Cc1cccc(C)c1-c1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 64549130 KQRHCJXCCFJNQW-XMMPIXPASA-N 414.618 5.966 0 1 HKAF O=C(O)c1cccc(-c2cnc(C(=O)[C@H]3CCc4cc(-c5ccccc5)ccc4C3)o2)n1 71318070 GXVIOWILFYSQLD-FQEVSTJZSA-N 424.456 5.090 0 1 HKAF O=C(CN(C(=O)c1cccc(Cl)c1)C1CCCCC1)Nc1cc(F)cc(F)c1 72127954 FXLZSRPVHGSPDJ-UHFFFAOYSA-N 406.860 5.032 0 1 HKAF CCCCCn1c(-c2ccsc2)nc2c(NCCCc3ccccc3)ncnc21 82221742 FMFDZJPATLBLSR-UHFFFAOYSA-N 405.571 5.790 0 1 HKAF CO[C@@H]1Cc2cc(-c3ccccc3)sc2C2(CCN(Cc3ccccc3)CC2)O1 95555481 GDQRGUCJOHMETE-QHCPKHFHSA-N 405.563 5.452 0 1 HKAF Cc1cc(C2=CC[C@H](O)CC2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C 103174164 HFMAPLMZSDXNHD-ZDUSSCGKSA-N 403.910 5.240 0 1 HKAF CC[C@H](COc1cccc(C(F)(F)F)c1)OC(=O)NCc1ccccc1Cl 103192581 QVJRKJOZMGZLOX-OAHLLOKOSA-N 401.812 5.443 0 1 HKAF COc1cc2c(c(OC)c1)[C@@H](c1cccc(Cl)c1Cl)C1=C(O)CCCC1=N2 103627662 AOURFGXVGTVIKS-SFHVURJKSA-N 404.293 6.225 0 1 HKAF C=C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 137540624 FNCTWJAIYWHSQR-VEVYEIKRSA-N 410.686 7.710 0 1 HKAF O=S(=O)(c1ccc(Cl)cc1)c1sc2ncccc2c1-c1ccc(Cl)cc1 138687746 HRULVFZMZKQTBK-UHFFFAOYSA-N 420.342 6.103 0 1 HKAF O=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3-c3ccccc3)nc2c1 144486029 MKYZYHOFNNIWKP-UHFFFAOYSA-N 402.453 6.329 0 1 HKAF C[C@H]1[C@H]2Cc3ccc(OC(=O)c4ccc(F)cc4)cc3[C@@]1(c1ccccc1)CCN2C 169321687 FOJNXCZDMCJBEO-IPEONRORSA-N 415.508 5.227 0 1 HKAF O=C1C[C@](CC2CCCC2)(c2ccccc2)OC(=O)[C@H]1SCCc1ccccc1 169684717 HVMPLIFPUAEMOK-UKILVPOCSA-N 408.563 5.323 0 1 HKAF CCCCNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 169710702 KQNFPNUSCNVXMO-LJQANCHMSA-N 408.523 5.532 0 1 HKAF C[C@@H]1CC(C)(C)CC2=C3C=C[C@@H]4[C@@]5(C)CCCC(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@H]21 238778896 WLTCUPJPYHDSHH-KEEXXOBTSA-N 408.714 8.974 0 1 HKAF O=C(Nc1cccc(-c2ccc3ccccc3c2)c1)c1cccc(Br)c1 299841435 ZUZGDMYOHGBAPN-UHFFFAOYSA-N 402.291 6.522 0 1 HKAF FC(F)(F)Oc1cc(Br)c2nc(-c3ccc(C4CCC4)cc3)[nH]c2c1 586880671 PEUNBVRSVLWTHD-UHFFFAOYSA-N 411.221 6.159 0 1 HKAF FC(F)(F)c1cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1Br 586883607 COVZTNVTAVOXJJ-FZKQIMNGSA-N 407.233 5.716 0 1 HKAF Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cnn1-c1ccccc1 586986963 IGPUGESHDYERLA-UHFFFAOYSA-N 403.441 5.313 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc5cn[nH]c5cc4[nH]3)c(Cl)cc12 587078677 ZGRATFXZUMWLPO-LLVKDONJSA-N 422.872 5.292 0 1 HKAF COc1cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2cc1F 587140452 AYCBHRCDKLCJNA-UHFFFAOYSA-N 400.425 5.948 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4cc(Br)cnc4[nH]3)c(Cl)c2)cc1F 587146045 XBFQCZIXPVBCOY-UHFFFAOYSA-N 416.681 6.155 0 1 HKAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587151585 RXODYDGQSDKJPE-GFCCVEGCSA-N 407.445 6.258 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@@H](C)Oc4ccc(F)c(F)c4)[nH]c3c2)cc1 587152372 ZWYDGOFJEVSVIP-CYBMUJFWSA-N 424.403 5.560 0 1 HKAF Fc1ccc(-c2ccsc2-c2nc3cc(OCc4ccccc4)ccc3[nH]2)cc1 587165556 ZLVFWOZWRULMFY-UHFFFAOYSA-N 400.478 6.677 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(C)(C)[C@@H]3c2cnn(C)c2)c1 587362578 HQIVNKQDKDAUFK-JOCHJYFZSA-N 409.489 5.813 0 1 HKAF COc1cccc(-c2cc(Cc3ccc(O)c(OC)c3)nc3c2oc2ccccc23)c1 587363721 SYNXGZSRSQOLND-UHFFFAOYSA-N 411.457 5.962 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c[nH]c4ccc(OCc5ccccc5)cc14)[C@@H](C2)C3=O 587438076 LYNBDDMOKWFXDH-FNZWTVRRSA-N 411.457 5.244 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCOc3c(Br)cccc31)CC2=O 587459861 QHJZJCYRCIEFAI-NRFANRHFSA-N 417.299 5.141 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)cc(OCc3ccccc3)cc1C)CC2=O 587477749 GMZOAXVULDRIBV-VWLOTQADSA-N 416.517 6.247 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1SCC)CC2=O 587491682 MSVQCQZQTKGVSI-SFHVURJKSA-N 421.356 5.926 0 1 HKAF O=C1C[C@](CSc2ccccc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587504910 OKWJBYGYRVONSZ-SANMLTNESA-N 418.533 6.358 0 1 HKAF O=C1C[C@H](c2cccc(OCc3cccc(F)c3)c2)Oc2c1ccc1c2CCCC1 587508062 YEBCMEWAKSXGFC-RUZDIDTESA-N 402.465 5.990 0 1 HKAF COc1cccc([C@@]2(c3c[nH]c4ncccc34)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587521183 ASJJCWOGRNKYAQ-HHHXNRCGSA-N 424.500 5.359 0 1 HKAF Cc1nc(Nc2ccccc2)sc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587536179 TTZJDVGRCBUMDH-DEOSSOPVSA-N 404.535 5.955 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)c(C(F)(F)F)c1 587547851 MBTKFVHMCGQWAP-YLJYHZDGSA-N 420.770 5.767 0 1 HKAF COc1ccc([C@@]2(C(C)(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 587570426 WVVKWGZSAFLJDP-PXDATVDWSA-N 422.452 5.443 0 1 HKAF CCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CC 587595934 LZYDVAOBCXCASN-RCZVLFRGSA-N 404.462 5.446 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ncc3ccccc23)N1 587706659 RNUWZBHQVBXVKV-XTZNXHDOSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccco2)N1 587729778 DKNJQJFDVIMTEK-FKIZINRSSA-N 404.254 5.146 0 1 HKAF CC(C)n1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587756875 MOOVNZMGGQWLDX-YEJXKQKISA-N 401.323 5.747 0 1 HKAF COc1ccc(-c2cccc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c2)cc1O 587787752 XYPDPLMDOHCCGE-UHFFFAOYSA-N 408.457 6.403 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccsc2N)N1 587844002 LHNBQXAWIWHVFV-FKIZINRSSA-N 417.347 5.058 0 1 HKAF Cc1nc2scc(C3CC3)n2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587858140 YDBTXNMMNNHSSV-XLFHBGCDSA-N 420.351 5.107 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](CC)c1ccccc1 587863862 CCYXECUTCAIHDP-SFHVURJKSA-N 402.416 5.802 0 1 HKAF COc1cc(C)ccc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587924713 CAIGFMUXTAQKSN-UHFFFAOYSA-N 401.182 5.208 0 1 HKAF CCCC[C@H](CC)COc1ccc([C@@]2(C)c3cc(OC)ccc3CCN2C(C)C)cc1 962085820 ASWGIVGWXYAOFG-DWACAAAGSA-N 423.641 6.820 0 1 HKAF Cc1cccc([C@@]2(c3ccccc3C)c3cccc(F)c3CCN2[C@@H]2CCSC2)n1 962716920 UFUADERZNNRIJB-FQRUVTKNSA-N 418.581 5.493 0 1 HKAF Cc1ccc(CC[C@]2(c3cc(C)ccc3C)NCCc3c2c(C(C)C)nn3C)cc1 962904089 BFBOQKFJJMRVPV-HHHXNRCGSA-N 401.598 5.491 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]2(c1cccc(Cl)c1Cl)C1CCCC1 963117283 YGBYSWCBLWXJMT-MBSDFSHPSA-N 404.356 6.587 0 1 HKAF COc1cccc(CC[C@@]2(c3cc(C)ccc3C)NCCc3c(C(=O)O)cccc32)c1 963121022 IMRPKCHOWUZHLN-HHHXNRCGSA-N 415.533 5.032 0 1 HKAF COc1ccccc1CC[C@@]1(c2c(C)cccc2C)NCCc2c(C(=O)O)cccc21 963124495 RCIFDBYATUFIAK-HHHXNRCGSA-N 415.533 5.032 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(c5n[nH]cc5C=O)[C@@]4(C)CC[C@@H]32)C1 1772622303 YQGKSFJLZURRIC-FYVXYBBASA-N 408.542 5.110 0 1 HKAF CCOc1ccccc1-c1cc([C@H](CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c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c1cc(O[C@@H](C)c2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2ccccc2n1 3802495 GSBQRUQGRWSSFO-KRWDZBQOSA-N 407.477 5.530 0 1 HKAF CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCCC 4213770 WXTHNSQYEFGFAK-LOSJGSFVSA-N 406.570 6.284 0 1 HKAF Cc1cn(C2CCCCC2)c2cc(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)ccc12 13589717 GRAADZXYCUWZRB-UHFFFAOYSA-N 418.324 5.647 0 1 HKAF CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(C(=O)O)cc3)c(Br)cc21 13738446 OEYIMBQHYPIFJN-UHFFFAOYSA-N 415.327 5.727 0 1 HKAF CCCCc1nc2ccccc2n1Cc1cc(C)c(O)c(I)c1 26265958 URIKMAIRUXNCSO-UHFFFAOYSA-N 420.294 5.046 0 1 HKAF C[C@@H]1C(=O)c2c([nH]c3ccc(Cl)cc3c2=O)C[C@H]1c1ccc(Cl)c(Cl)c1 27082953 OABGRILNAUDEHD-JOYOIKCWSA-N 406.696 5.647 0 1 HKAF CC(C)=CCC/C(C)=C/c1cc(C)c(COC[P@](=O)(O)CP(=O)(O)O)s1 27708722 AQHCYGFKYPFDSU-RIYZIHGNSA-N 422.420 5.086 0 1 HKAF C1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2CCOc1cccc2cccnc12 28398165 ZAEWLZXHWVJTGL-FTJBHMTQSA-N 406.529 6.087 0 1 HKAF CN(C)CC[C@@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1 28654022 IMWWZKMBTJIMCE-JOCHJYFZSA-N 414.471 5.210 0 1 HKAF Cc1oc(-c2ccc(Cl)cc2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)O 28951964 WHIQMIFTYAJOOQ-KRWDZBQOSA-N 411.885 5.429 0 1 HKAF COc1c(-c2nnc(-c3ccccc3C(F)(F)F)n2C)cc(Cl)c2ccccc12 29042817 WKSQNQABLSQCGP-UHFFFAOYSA-N 417.818 5.983 0 1 HKAF Nc1ccc(C(=O)N2Cc3ccccc3[C@H](c3ccccc3Cl)c3ccccc32)cc1 38653666 NAYFCWJJIIAOEG-AREMUKBSSA-N 424.931 6.263 0 1 HKAF NC(=S)N1CCCc2c(OCCCCCOc3cccc4ccccc34)cccc21 43062176 RKBJWVVRBVDGTB-UHFFFAOYSA-N 420.578 5.464 0 1 HKAF CCCCNC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 45368585 GEEUZDRIQFONQG-UHFFFAOYSA-N 415.704 5.788 0 1 HKAF Cc1ccccc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)NCc3ccccc3)cc2c1 72179221 USPPVRYTYZVYSL-LJQANCHMSA-N 409.533 5.287 0 1 HKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n1 72181409 FPQSWJFTBRDNGN-GOSISDBHSA-N 412.961 6.632 0 1 HKAF O=C(O)[C@@H]1C[C@H]1COc1nc2c(F)c(-c3ccc(-c4ccccc4)cc3)c(F)cc2[nH]1 72316451 XYDQMCFXISPLLU-DLBZAZTESA-N 420.415 5.275 0 1 HKAF CC[C@](C)(CCCC(C)C)CCc1cc(Br)c(O)c(Br)c1 73199085 ILBDBQACCMQLRO-GOSISDBHSA-N 420.229 7.092 0 1 HKAF O=C(/C=C/c1ccc(C(F)(F)F)cc1)Nc1nnc(-c2ccc(Cl)cc2)s1 82157608 DJDVOKYNWSVKQC-XCVCLJGOSA-N 409.820 5.529 0 1 HKAF COc1cc(-c2nc(C)sc2-c2ccc(C(F)(F)F)cc2)cc(OC)c1OC 95557895 IBBSMNDZHRASGA-UHFFFAOYSA-N 409.429 5.830 0 1 HKAF COc1ccc([C@]2(OC)C=CC(C3CCCCCC3)(C3CCCCCC3)OC2)cc1 103173626 BZZMRAOLJBHECH-SANMLTNESA-N 412.614 6.803 0 1 HKAF Cc1cc2c(cc1F)SCCC2(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 103253739 NOOKFBKDNFANPG-UHFFFAOYSA-N 412.533 6.927 0 1 HKAF CCC[C@H](C(=O)O)c1c(C)nc2scc(-c3ccccc3)c2c1-c1ccc(C)cc1 113123203 KUDSZJCXXQNXHD-FQEVSTJZSA-N 415.558 7.215 0 1 HKAF Cn1cncc1-c1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1 113654361 UPXGPTVFECKXRX-UHFFFAOYSA-N 419.532 5.407 0 1 HKAF CCCn1c2c(c3ccccc31)C(=O)c1ccc(OCCN(CC)CC)cc1C2(C)C 114802133 JSMDBZJXVBDSFK-UHFFFAOYSA-N 418.581 5.642 0 1 HKAF CCOCc1cc(O)c(OC)cc1-c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1 166681403 CXDAHVCYAZVNRY-UHFFFAOYSA-N 414.465 5.024 0 1 HKAF CCCOc1cncc(C2=CC[C@H]3[C@@H]4CCN5CCCCC[C@]5(C)[C@H]4CC[C@]23C)c1 169225372 GPFXOHJZGHNQEQ-JFZJWBCSSA-N 408.630 6.345 0 1 HKAF Cc1cc(N[C@H](CC(C)C)C(=O)Nc2ccccc2)nc(NCc2ccccc2C)n1 206779994 QQEPJNTURMPNSO-JOCHJYFZSA-N 417.557 5.171 0 1 HKAF COc1cccc(F)c1[C@@H]1C[C@H](C)C(=O)N1Cc1ccc2oc3ccccc3c2c1 215902859 NZJJLLAOHLKKIZ-YWZLYKJASA-N 403.453 5.843 0 1 HKAF CC1(c2cc(NC(=O)Nc3ccc(Br)cc3)n(-c3ccccc3)n2)CC1 299820523 CZZORSGHIAASJT-UHFFFAOYSA-N 411.303 5.330 0 1 HKAF CC(C)(C)OC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 299840307 UXTASJYYALBGBL-UHFFFAOYSA-N 410.945 5.666 0 1 HKAF CN(Cc1c(Cl)cccc1Cl)C1CCN(Cc2cnc(Cl)s2)CC1 299865947 UVKUWOAYAYKVLZ-UHFFFAOYSA-N 404.794 5.200 0 1 HKAF Fc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 473115216 QTOHFMVFZYPZRX-UHFFFAOYSA-N 422.385 6.241 0 1 HKAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(Cl)c(F)cc3[nH]2)cc1 586947862 ANTUERKVSGFTFA-UHFFFAOYSA-N 415.877 5.132 0 1 HKAF FC(F)(F)c1cccc2nc(COc3ccc(Cl)cc3Br)[nH]c12 586976173 DSNANBFQZNFIKS-UHFFFAOYSA-N 405.601 5.577 0 1 HKAF Cc1ccc2c(ccc3nc([C@@H](c4ccc(Br)cc4)N4CCCC4)[nH]c32)n1 586983666 AWLJDRCLUCXNAG-OAQYLSRUSA-N 421.342 5.367 0 1 HKAF Cc1cc(Br)cc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587011645 AZJUDEWCRYVYJE-UHFFFAOYSA-N 413.138 5.397 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c(C)cnc(Cl)c3[nH]1)N2 587032992 WWRKWNPRGLBHHC-CHPNCVJKSA-N 419.963 5.047 0 1 HKAF FC(F)(F)Oc1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Cl 587048616 ISJNLYQKZVFQAZ-YUMQZZPRSA-N 421.633 6.693 0 1 HKAF C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccnc2[nH]1 587053081 AVQTXQZXYJGPJG-LBPRGKRZSA-N 400.265 6.197 0 1 HKAF Cc1cnc(Cl)c2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc12 587070400 VFYMOFMQXHCUDV-QGOAFFKASA-N 408.332 6.747 0 1 HKAF Cc1cc(Br)c2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 587074766 YALDNZYAIGRZMZ-QGZVFWFLSA-N 404.739 5.624 0 1 HKAF Cc1ccc(-c2cc(-c3nc4cc(Cl)cc(C)c4[nH]3)c3cccc(Cl)c3n2)o1 587081985 BJZOXRWWHNKZOC-UHFFFAOYSA-N 408.288 6.962 0 1 HKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(F)cc(Br)c2[nH]1 587111978 CJIPACJUZQSEDX-SECBINFHSA-N 401.201 5.830 0 1 HKAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)cc2N1 587125906 HJKKBCDIXSCTCP-MADCSZMMSA-N 421.370 5.346 0 1 HKAF COC(=O)c1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1OC 587126357 YLEPLKBUUVHDSO-YHYXMXQVSA-N 408.401 5.140 0 1 HKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1 587242726 YERZKFXVEYDQFN-UHFFFAOYSA-N 413.525 5.436 0 1 HKAF CC(=O)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328934 KXPQQFKEJDGUGU-GMAHTHKFSA-N 410.828 5.028 0 1 HKAF CC[C@]1(c2c(F)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334602 PBSRGXBUUKCIFF-OFNKIYASSA-N 414.835 5.988 0 1 HKAF COc1cccc(-c2cc(-c3cccc(C4CC4)c3F)nc3c2oc2ccccc23)c1 587359112 CWPKMVAUVCVWCN-UHFFFAOYSA-N 409.460 7.340 0 1 HKAF COc1cccc(-c2cc(-c3[nH]c(C)c(C(C)=O)c3C)nc3c2oc2ccccc23)c1 587362110 DYTROEASKHFKTM-UHFFFAOYSA-N 410.473 6.471 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cccc(Cl)c1)(c1cc(C=O)n(C)c1)CC2=O 587458697 BNWJGRVHDYWBCQ-XMMPIXPASA-N 423.896 5.058 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(C1CCOCC1)CC2=O 587460314 HAVRSEZINUNBOY-HSZRJFAPSA-N 400.902 5.285 0 1 HKAF COC(=O)CCCC[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587507166 URONCKHMNUXUGP-VWLOTQADSA-N 410.485 5.299 0 1 HKAF O=C1C[C@]2(C[C@H](c3ccccc3O)Oc3ccccc32)Oc2c1ccc1c2CCCC1 587536971 ZRCJZDLHTXFVPV-XNMGPUDCSA-N 412.485 5.656 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1ccc(Cl)c(Cl)c1 587544784 NYNUFHQGHTZIOV-AZUAARDMSA-N 415.272 5.662 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)F)c(Cl)c1 587553172 FBVKWEOQEXPPFP-FXAWDEMLSA-N 418.779 5.350 0 1 HKAF C[C@]1(c2cc(F)c(F)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555373 GHXMPRJEVMIJTC-GHTZIAJQSA-N 402.780 5.201 0 1 HKAF CCCCOc1cc2nc(COc3ccc(C)cc3OC)[nH]c2cc1Br 587563805 JIKRCIBREQAOLM-UHFFFAOYSA-N 419.319 5.400 0 1 HKAF Cn1c2ccccc2c2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587575595 GBRJFRCVMRODNJ-RPLLCQBOSA-N 421.452 5.740 0 1 HKAF Cc1ccc(C)c(Sc2c(Cc3ccccc3F)[nH]c3cc(Cl)c(F)cc23)c1 587629197 FUAVTWZBFMMSCQ-UHFFFAOYSA-N 413.920 7.458 0 1 HKAF Cc1c(Br)cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587675845 DFYDMOAFPCPNKU-XYZCENFISA-N 413.128 5.283 0 1 HKAF CC1=C[C@@H]2C=C([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)C(Cl)=N[C@@H]2C=C1 587708722 ZSFXDOGYDSBHBS-GMBROJJHSA-N 421.741 5.242 0 1 HKAF Brc1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2n1 587783832 HFDXYRSFAADVLD-MDWZMJQESA-N 406.283 5.470 0 1 HKAF CCC[C@H](OC)c1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587798278 ZOJUZEHXPFDVAP-OSGPJOMKSA-N 420.366 5.874 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(O)cc3)cc2)N1 587833772 PFMRLGBJAZWGHO-XMHCIUCPSA-N 412.302 5.584 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2C2CCOCC2)N1 587837181 ZXCCBSUCXWYMLS-ZSEKCTLFSA-N 404.323 5.106 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2nccs2)N1 587853457 NFUYAMVZKPABSW-ZMZPIMSZSA-N 403.320 5.335 0 1 HKAF C[C@@H](NC(=S)n1nc2cc1Oc1ccc(F)cc1-2)c1ccc(Cl)cc1Cl 587875759 IJWMKTAHKQCNTG-SECBINFHSA-N 408.285 5.586 0 1 HKAF CCCCCOc1cc2nc(C(C)(C)c3ccccc3C)[nH]c2cc1Br 587954638 CULMZGKXWURYAR-UHFFFAOYSA-N 415.375 6.529 0 1 HKAF Cc1ccccc1-c1ccc(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 587958637 CPXHWGCDNNIFRB-UHFFFAOYSA-N 402.807 5.543 0 1 HKAF C[C@@H]1CCCCCCCCCC[C@@]12NC1(CC1)Cc1ccc(Br)cc12 961751540 RVTKMMSISDAQFC-WZONZLPQSA-N 404.436 6.873 0 1 HKAF COc1cc2c(cc1OC)[C@@](CCc1ccc(C)cc1C)(C1CCCC1)N(C)[C@@H](C)C2 962578106 ZYPTWJCHGAPFAL-RBTNQOKQSA-N 421.625 6.215 0 1 HKAF CC1=C[C@@]2(c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c2cc(F)ccc2O1 962635539 IGYOZRSKPSJEGC-YIXXDRMTSA-N 412.508 5.112 0 1 HKAF CC(C)(C)C[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962897979 OBBLYOBOKZGYER-GHTZIAJQSA-N 409.423 5.123 0 1 HKAF O=C(Nc1ccc(Cl)c(-c2nnc3c(Cl)cccn23)c1)c1cccc(Cl)c1 1911571846 BSPFNTNHVPLDLH-UHFFFAOYSA-N 417.683 5.609 0 1 HKAF CC(=O)O[C@@H]1CC=C(C)[C@@H](CCC(C)=CCOc2ccc3oc(=O)ccc3c2)C1(C)C 2356384037 JKNIEMKYGWMWJI-ISKFKSNPSA-N 424.537 5.822 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 2356396710 UKPIEUQYETXRKP-FRGNILMWSA-N 418.662 5.330 0 1 HKAF CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C=C[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356604614 BDCFUHIWJODVNG-JHXIUNCFSA-N 412.702 7.801 0 1 HKAF Cc1cc2c(cc1[C@H](O)c1ccc3cc(C(=O)O)ccc3c1)C(C)(C)CCC2(C)C 26722746 BIFNVRDSMOEDHI-XMMPIXPASA-N 402.534 6.277 0 1 HKAF CN1CC[C@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3N(Cc3ccccc3)[C@@H]12 26734060 UUQLGETXWSEMFB-AOYPEHQESA-N 413.521 5.237 0 1 HKAF CCN(CC)CCC[C@@H](C)Nc1ccnc(COc2cc(Cl)cc(Cl)c2)n1 28520826 SZDIGVPQDRTSSA-OAHLLOKOSA-N 411.377 5.285 0 1 HKAF NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 28825892 CGIXVWNBAIUFQT-UHFFFAOYSA-N 413.565 5.412 0 1 HKAF COc1cc(CNCCNc2ccnc3cc(Cl)ccc23)c(OC)c2ccccc12 29134993 YKXXQSNNDAJSPC-UHFFFAOYSA-N 421.928 5.260 0 1 HKAF O=C(O)c1cncc(-c2ccc(Cl)c(C(=O)NCC34CC5CC(CC(C5)C3)C4)c2)c1 34661595 BFMYHRUQBZNPNN-UHFFFAOYSA-N 424.928 5.046 0 1 HKAF Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)Nc3ccc4ccccc4c3)c2c1 40380122 FSSBBJDSNDJSNN-UHFFFAOYSA-N 403.485 6.319 0 1 HKAF COc1ccc(C(C(=O)NCCc2ccccc2)(c2ccccc2)c2ccccc2)cc1 45497952 IEPAVQCLYWEALH-UHFFFAOYSA-N 421.540 5.389 0 1 HKAF O=C(O)CC/C=C/c1ccc(C(=C2C3CCCC2CCC3)c2ccc(O)cc2)cc1 49113701 GFCCYRGMTBXTRX-PNOMGMFTSA-N 402.534 6.672 0 1 HKAF CCN(CC)CCCCNCc1nccc2c3ccccc3n(Cc3ccccc3)c12 72118240 IDXBYIJHKRLNJP-UHFFFAOYSA-N 414.597 5.449 0 1 HKAF CCCCNc1ncc(C(=O)N(CC)Cc2cccc(C)c2)c(-c2ccc(F)cc2)n1 82139681 YPCFQUANGOGXNS-UHFFFAOYSA-N 420.532 5.465 0 1 HKAF CC[C@@H]1[C@@H](C)C[C@@]2(O)C(=O)O[C@H](C)[C@H]2[C@H]1/C=C/c1ccc(-c2ccccc2C)cn1 84603989 ANMPHNUOGAIMAF-HVFJJDCMSA-N 405.538 5.045 0 1 HKAF Cc1cc(C2=NN(C(=O)NC3CCCCC3)C[C@@H]2Cc2ccccc2)ccc1Cl 95579394 KSZPIHAXMHBLHP-FQEVSTJZSA-N 409.961 5.569 0 1 HKAF C[C@](O)(c1ccccc1)c1ccc(-c2nc(C3CCC3)n3ccnc(N)c23)cc1Cl 96168364 YLZYFSPDSGZBPY-DEOSSOPVSA-N 418.928 5.155 0 1 HKAF Cc1cc(C)cc(C(=O)C2(NC(=O)c3ccc4c(c3C)CCCO4)CCCCC2)c1 103194556 WWFFMUFUVAQRMJ-UHFFFAOYSA-N 405.538 5.252 0 1 HKAF COc1cccc(OC)c1[C@H]1CC[C@@H](C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 103258884 SXUMWRLPVZHYBQ-RHSMWYFYSA-N 423.431 5.102 0 1 HKAF COc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nn(-c4ccccc4)c(O)c32)c1 103547429 KLUDQDJQBCURGV-FQEVSTJZSA-N 415.493 5.437 0 1 HKAF CC[C@@H](C)NC(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 105186321 ZSCPAAWATBNPFJ-IYSACSQVSA-N 420.601 5.463 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@H]1c1cccc(-c2ccccc2)c1 169728369 ZSAXOEADISZRSG-BJKOFHAPSA-N 401.506 5.344 0 1 HKAF CCN(CC)CCOc1ccc([C@H](c2cccs2)c2ccccc2SC)cc1 206288692 HDCDKXZVUHERQM-DEOSSOPVSA-N 411.636 6.371 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C 238760018 RAIDHOLJIAWOMY-JVLVGZHGSA-N 400.647 6.899 0 1 HKAF CCOC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1COCc1ccccc1 473109893 UIWHHHTUKRPEDK-UHFFFAOYSA-N 412.489 5.433 0 1 HKAF FC(F)(F)Oc1cc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586884102 NXSUCNCWSFIMOH-NOTQWWDFSA-N 415.253 5.692 0 1 HKAF CCCCCOc1cc2nc([C@@H](C)Sc3ncccn3)[nH]c2cc1Br 586961446 JEFYPPLSBPGAND-GFCCVEGCSA-N 421.364 5.538 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(OCCN(C)C)ccc4[nH]3)c21 587030532 GUUGWWFBXJXVJI-MRXNPFEDSA-N 420.582 5.462 0 1 HKAF COc1cc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc(Cl)c1O 587046214 NMYVNBJSLCZICM-UHFFFAOYSA-N 407.882 5.874 0 1 HKAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c1 587063822 YSXNGNZUBIOTRY-UHFFFAOYSA-N 420.896 5.568 0 1 HKAF CCOC(=O)c1oc2c(c1C)-c1nc3c(C)ccc4c3c(c1CC2)-c1ccccc1C4=O 587102552 XLVQFAUUZSBIIA-UHFFFAOYSA-N 423.468 5.598 0 1 HKAF CC(C)Oc1cc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2cc1Br 587115063 FPCIPKPVWFGQLY-UHFFFAOYSA-N 400.198 5.193 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4c(F)cnc(Cl)c4[nH]3)cc2F)c1 587143093 KSKZOJFAYRYVFP-UHFFFAOYSA-N 406.219 5.886 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cccc(C(F)(F)F)c3[nH]2)c(Cl)c1 587159935 YWRJNDLELUDVOD-IBGZPJMESA-N 420.793 6.543 0 1 HKAF O=C(N[C@H](c1ccccc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1)c1ccccc1 587221283 VFOWEJCXBYPPNW-RUZDIDTESA-N 419.484 5.875 0 1 HKAF Cn1c(C(F)(F)F)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332575 STIRFWSDEDQRHV-FPOVZHCZSA-N 419.374 5.163 0 1 HKAF CC(C)Cc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587351111 GAYGZDHWVZPGIJ-RSXGOPAZSA-N 404.481 6.004 0 1 HKAF CCCC[C@H](O)[C@@]1(CCCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351165 IEZJZEITXBXNDJ-WMTXJRDZSA-N 400.490 5.370 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccccn2)(c2cccs2)[C@@H]1c1ccc(F)cc1 587374606 KYQSCQGQONMTGV-ISKFKSNPSA-N 417.461 5.291 0 1 HKAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1c(C)cccc1C 587401394 WLURBDOPDCXHFW-XMMPIXPASA-N 417.505 5.488 0 1 HKAF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1cccs1 587451388 OAACOKLPISMMEB-KOSHJBKYSA-N 422.502 5.223 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ncc(Cl)cc1Br)CC2=O 587456870 CFFSTTOFVSGHBN-GOSISDBHSA-N 410.695 5.036 0 1 HKAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1cc(Cl)cc(Cl)c1)CC2=O 587461060 JNICMBKLVCVYSO-UVIRAJKCSA-N 420.336 5.588 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCCC(=O)OCC)(c1ccc(F)cc1)CC2=O 587465512 DXTZKOKLOHFGPV-DEOSSOPVSA-N 414.473 5.078 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C(=O)c1ccc(C)cc1)(c1ccc(C)cc1)CC2=O 587488005 HNGWHTQRQRCNBQ-HHHXNRCGSA-N 414.501 5.705 0 1 HKAF CC[C@H](C)Oc1c(Cl)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587498835 PIPJEJDNGIXTGJ-LHSJRXKWSA-N 414.929 6.111 0 1 HKAF CNc1cccc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587511403 KFVTUVZGJCGQOL-MHZLTWQESA-N 409.485 5.061 0 1 HKAF CC(C)c1ccc2[nH]c(C(C)(C)C)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587525542 NUWRJNRKUAHLBF-XMMPIXPASA-N 415.577 7.174 0 1 HKAF O=C(O)C[C@@H]1CCC[C@@H](c2ccccc2)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587529165 JYFKPJGBQMUJQV-NDIWIEOSSA-N 404.506 5.328 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)cc1C(F)(F)F 587549873 SJGVOCBVOQKJPZ-PXNSSMCTSA-N 420.770 5.767 0 1 HKAF Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587681342 WVFBPIYMQZAIGC-BMLIUANNSA-N 413.128 5.283 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2ccc(Cl)c(Cl)c2)N1 587698930 WFSCITPZAXAHOS-HUTHGQBESA-N 403.122 5.713 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C(F)(F)Cl)N1 587705302 MPIDEYIRSZZLFB-MGPLVRAMSA-N 404.657 5.198 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)CN(C)Cc2ccccc2)N1 587738861 DDTWYPSWZXDJNF-YCRPNKLZSA-N 419.382 5.322 0 1 HKAF Cc1ccc(-c2cnc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)c(C)c1 587772139 DOTGADFSJNPRDJ-XCLFUZPHSA-N 415.306 5.484 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587779857 GZSXSBUCIUMAOY-UHFFFAOYSA-N 400.375 6.454 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C=C(c2ccccc2)c2ccccc2)N1 587818742 JBMXOVAFPGOPFQ-VOIUYBSRSA-N 422.341 6.295 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2C2CCCCC2)N1 587821744 XICYVLKAMUYOHH-FPTDNZKUSA-N 402.351 6.260 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3cccc(C(=O)O)c23)N1 587825012 FLAQORHLEQKVAT-GIPWTMENSA-N 414.274 5.063 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccc(O)cc3)c2)N1 587833120 LZGTXQLZQJTLDH-WHEQGISXSA-N 412.302 5.584 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccn3)s2)N1 587849177 REDZAPWBPOBHAX-WLRWDXFRSA-N 403.320 5.335 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2nc3ccccc3s2)N1 587859366 WCDHYLZETLCNAO-WYRIXSBYSA-N 405.336 5.190 0 1 HKAF O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)n1nc2cc1Oc1ccc(F)cc1-2 587876667 VGVPOABCULYPKB-UHFFFAOYSA-N 422.419 5.336 0 1 HKAF Oc1cc(-c2ccccc2)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 587946446 TWKOUCMXEIMZOX-UHFFFAOYSA-N 413.452 5.152 0 1 HKAF Fc1cc(Br)c2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2c1 587949662 KHRFYQIEZNGEQP-KHPPLWFESA-N 409.258 6.427 0 1 HKAF O=C1CS[C@H](c2cccc(F)c2)N1c1nc(C23CC4CC(CC(C4)C2)C3)cs1 653755720 XQAVOEAMLKFTGG-FUVRYZOOSA-N 414.571 5.529 0 1 HKAF COc1nc2ccccc2cc1/C=C/c1noc(-c2ccc(Br)cc2)n1 653794472 BFJFJEUAHJKBRZ-DHZHZOJOSA-N 408.255 5.226 0 1 HKAF COc1cccc(-c2cccc([C@H]3c4c(ccc(OC)c4OC)C[C@H](C)N3C)c2)c1 962619699 FLEZPJPJJRTJPT-GKVSMKOHSA-N 403.522 5.345 0 1 HKAF Cn1nc(C(F)(F)F)c2cc([C@@H]3c4ccsc4CCN3Cc3ccco3)sc21 962706406 LXMYNNAIGKUVRC-INIZCTEOSA-N 423.485 5.456 0 1 HKAF O=C([C@@H]1Cc2ccccc2[C@]2(C=C(Cl)C[C@H](c3ccccc3)C2)N1)C(F)(F)F 962765746 NBMNREFKPJEDOR-LRQRDZAKSA-N 405.847 5.228 0 1 HKAF CC[C@H](C)C[C@]1(c2ncco2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962963232 WMBKKTXFHUJAIQ-BTYIYWSLSA-N 408.464 5.025 0 1 HKAF Cc1ccc([C@]2(CCc3cccc(C)c3C)NCCc3nc4ccccn4c32)c(C)c1 962984830 NXMKCEVMAUVQHY-NDEPHWFRSA-N 409.577 5.590 0 1 HKAF Cc1cccc(C)c1CC[C@@]1(c2ccc(F)c(F)c2)NCCc2nc3ccccn3c21 962985522 PJIRPUTXZSYEKE-SANMLTNESA-N 417.503 5.251 0 1 HKAF Clc1ccc([C@@H]2CCC[C@@]3(C2)c2ccsc2CCN3Cc2cccnc2)cc1 962994212 CIMAVZCMHJRAQZ-HYBUGGRVSA-N 408.998 6.408 0 1 HKAF COc1cccc2cc3c(nc12)[C@@](c1ccc(Br)c(C)c1)(C1CC1)NCC3 963056862 NHKDESADCOHWLH-QHCPKHFHSA-N 423.354 5.114 0 1 HKAF Cc1cc(Cl)cc2c([C@H]3c4ccc(F)cc4C[C@@H]4CCCN43)c(C(C)(C)C)[nH]c12 963112902 XULJXIJXGGKOGT-FDDCHVKYSA-N 410.964 6.676 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(O)c(C(=O)C(C)C)c1O 1772608058 DALPPLJAXYCNRN-NWLVNBMCSA-N 400.559 6.604 0 1 HKAF CC(C)c1ccc(CSc2nc(O)nc(SCc3ccccc3F)n2)cc1 1857610323 PQOKYGHKZKGMOQ-UHFFFAOYSA-N 401.532 5.424 0 1 HKAF COc1ccc(-c2cc(-c3cc4c(OC)ccc(OC)c4nc3Cl)cc(O)n2)cc1 1857614226 JCBCLHGLLPULLQ-UHFFFAOYSA-N 422.868 5.349 0 1 HKAF CCCCC[C@H](CC(=O)O)c1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@@H](C)[C@@H](C)C2=O 2356449856 AOXPJDCNCHHXBI-QLFBSQMISA-N 416.514 5.315 0 1 HKAF CO[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2[C@H](C)CCCC(C)C 2356499552 GGNMCEMUZBBANL-SOGCRWAYSA-N 416.690 7.302 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CCC2=C3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 2356507866 IZXQUMVHHUTUOE-QBUCUYDHSA-N 412.702 8.089 0 1 HKAF COc1ccc(C=C[C@H]2CCC=C[C@@H]2c2cc(OC)c(OC)cc2OC)cc1OC 2356579192 UAIKPBWIUUZQGF-MOPGFXCFSA-N 410.510 5.493 0 1 HKAF CC[C@@H](C)CC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356614876 LXKSWJFJHIURPU-GQQWAUEISA-N 402.707 7.859 0 1 HKAF CC(C)=CCC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356635828 LXEPWLIYSFZTPE-IXKCLNRLSA-N 414.718 8.025 0 1 HKAF COC(=O)CC(=O)OCC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CCc1ccoc1 2356660927 VPURRDSZEMLSDB-ROKFLILLSA-N 402.531 5.097 0 1 HKAF CC=C(C)OC(=O)C[C@@H]1[C@H](OC(=O)C(C)=CC)CC[C@@H]2Cc3occ(C)c3C[C@@]12C 2356727448 OGARMRCBNAUZBF-GUQHISFFSA-N 414.542 5.454 0 1 HKAF C[C@H](C=CC(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 2356728900 XFAZQRAVFBWICT-YPGRRYAUSA-N 414.630 6.374 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]21C 2356732445 IABNMGOOKVIIKC-KSRYMFKYSA-N 418.662 5.474 0 1 HKAF CC(C)[C@@H](O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356732597 ZNCHPOYZMVVJCK-DVKCRANESA-N 418.662 5.330 0 1 HKAF CC(C)CCN1CC2=C(C1=O)[C@]1(C)CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)O)[C@@H]1CC2 2356807730 YBFBLICDGYTHKZ-VCEJLILHSA-N 401.591 5.279 0 1 HKAF CCCCc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(O)cc1 13558368 GNRSCPKDZFFECT-UHFFFAOYSA-N 400.478 5.666 0 1 HKAF C=C(C)[C@@H]1Cc2c(c(C(=O)[C@@H](C)CC)c(O)c3c(-c4ccccc4)cc(=O)oc23)O1 14585982 KGQQWXVECQTEJR-KSSFIOAISA-N 404.462 5.274 0 1 HKAF biogenic Brc1cnc(Nc2ccc3[nH]ccc3c2)nc1Nc1ccc2[nH]ccc2c1 28522486 HELWBVYLWIFKLJ-UHFFFAOYSA-N 419.286 5.689 0 1 HKAF CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccccc1 29045699 GEUDIMLKJYAWRQ-UHFFFAOYSA-N 412.493 6.179 0 1 HKAF OC[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 36324305 YVFFAQCPRASOKD-SNRMKQJTSA-N 418.377 5.796 0 1 HKAF Cc1ccc([C@@H](C(=O)NCCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 40408313 WIYSIMPCTASBLD-LJAQVGFWSA-N 419.568 6.465 0 1 HKAF O=C(Nc1ccc(Cl)c(C(=O)Nc2cccnc2)c1)c1cc(Cl)cc(Cl)c1 40864339 DEQVGBYJEVEQAE-UHFFFAOYSA-N 420.683 5.546 0 1 HKAF Cc1cc2nc(-c3ccc(F)cc3)c(-c3ccnc(N[C@@H](C)C(C)C)c3)nc2cc1C 45315745 OGZQKKGLYOATPJ-SFHVURJKSA-N 414.528 6.571 0 1 HKAF CCc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1 63298233 XYXLUJQBBIBJFV-UHFFFAOYSA-N 415.522 5.246 0 1 HKAF Cc1ccc2c(c1)CCN(c1nc(C3(c4ccc(F)cc4)CC3)nc(C)c1C)[C@H]2C 64549352 SVYZBEJPDDOQCY-IBGZPJMESA-N 401.529 5.745 0 1 HKAF Cc1ccc2nc(-c3ccc(-c4ccc(-c5ccc(N(C)C)cc5)cc4)cc3)[nH]c2c1 73280573 UKHGQGAFASJIPX-UHFFFAOYSA-N 403.529 6.938 0 1 HKAF CCCCCc1nc(-c2cnc(N3CCC(C)CC3)nc2-c2ccccc2)oc1C 82163064 JIDQUWKRRMWHIS-UHFFFAOYSA-N 404.558 6.076 0 1 HKAF COc1ccccc1CNc1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2F)n1 82176032 XBOCXJBZZVZBEL-UHFFFAOYSA-N 420.513 5.644 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCc3ccccc3C)ncnc21 82180164 WIHUGLFWTYXBAU-MRXNPFEDSA-N 419.960 6.113 0 1 HKAF COc1ccc2c(c1)[C@@]1(COC(N)=N1)c1cc(-c3cc(Cl)c(C)cc3F)ccc1O2 95579785 KKLOGTHCFUTDNH-HSZRJFAPSA-N 424.859 5.157 0 1 HKAF Cc1ccc([C@H]2N(C)c3ccccc3C(=O)N2c2ccccc2-c2ccccc2)s1 95584311 WJBBMUMVOLXNQG-VWLOTQADSA-N 410.542 6.519 0 1 HKAF CN1CCC(COCc2cc(C(F)(F)F)cc(C3CC3)n2)(c2cccc(F)c2)CC1 95589382 GRIDHXFOQBIQKT-UHFFFAOYSA-N 422.466 5.297 0 1 HKAF COc1ccc(/C=C/C(=O)OCCCCNc2ccnc3cc(Cl)ccc23)cc1 95596459 DKYOZCNWTZREMY-IZZDOVSWSA-N 410.901 5.346 0 1 HKAF CO[C@H]1CC[C@@H](C(=O)Nc2cc(-c3ccnc(Nc4ccc(F)cc4)c3)ccn2)CC1 100062075 ACGBFWCBVIXTPZ-OQIWPSSASA-N 420.488 5.170 0 1 HKAF in-vivo Cc1ccc(-c2cc(-c3ccc(Nc4cc(=O)oc5ccccc45)cc3)nc(N)n2)cc1 103175762 DMQCNFSOPHZREM-UHFFFAOYSA-N 420.472 5.551 0 1 HKAF Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1cccnc1)C2 103225830 RNSCIRIAXYVNLI-ACDBMABISA-N 423.387 6.888 0 1 HKAF C/C(=C\C=C\C[C@@H](C)C(Cl)(Cl)Cl)C(=O)N[C@H](c1nccs1)C(C)C 103626198 SASMNYHOQIJNIJ-WCKZTIJKSA-N 409.810 5.855 0 1 HKAF COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(O)cc4)C3=C(O)C2)cc1 104693348 BMOGOUHFGLSSSS-DWXRJYCRSA-N 412.489 6.030 0 1 HKAF Cn1cc(-c2ccc3nc(-c4ccc(C5(N)CCC5)cc4)c(-c4ccccc4)n3c2)cn1 113656929 VBLRWCPOAATBTO-UHFFFAOYSA-N 419.532 5.407 0 1 HKAF CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1cnccc1C 114606467 FWEZMXHWKATMNY-XSRRHSMZSA-N 409.489 5.733 0 1 HKAF CN(C)CCNc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1 116849740 JWSPPXVZTUCCFG-UHFFFAOYSA-N 402.473 5.202 0 1 HKAF COc1cc2c(C)nc(O)c(Cc3cccc(Oc4ccccc4)c3)c2cc1OC 147909343 TVJKXTCTYLBZFM-UHFFFAOYSA-N 401.462 5.649 0 1 HKAF CCCCC1([C@@H](O)/C=C/[C@H]2CCC(=O)[C@@H]2CCCCCCCC(=O)OCC)CCC1 169315196 WEPFFVSSFVLUMV-ATZXJTTGSA-N 420.634 6.153 0 1 HKAF Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C)cnc4[nH]ccc34)cc(C)c2C1 169686065 BEBIYJTWHGHJDC-UHFFFAOYSA-N 410.565 6.236 0 1 HKAF CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)[C@H]2C(=O)CC(C)(C)CC2=N1 169724259 LVJNXLPLFAZAJC-XZOQPEGZSA-N 420.940 5.796 0 1 HKAF CC(C)(C)C1=NN(c2ccc(C(=O)O)cc2)[C@H](c2ccccc2Br)C1 203670298 OEISQMKGRTXAIX-KRWDZBQOSA-N 401.304 5.501 0 1 HKAF CC1(C)CC[C@@]2(C)CC[C@]3(C)[C@@H](CC[C@]4(C)[C@@H]5CCC(=O)C(C)(C)C5=CC[C@@H]43)[C@@H]2C1 238737616 PAVVMAYETSJFLL-ACMXISDVSA-N 410.686 7.987 0 1 HKAF CCCCCC[C@H](C)CCCCCCCCCCC(=O)Cc1cc(O)cc(=O)o1 263614329 GYNSQXCBPSRCAW-NRFANRHFSA-N 406.607 6.965 0 1 HKAF in-vitro CCCCC1CCC(c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)CC1 586889733 MRHOBSACTCSTHW-UHFFFAOYSA-N 407.396 6.824 0 1 HKAF O=c1ccc2cc(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)ccc2o1 586916611 MAEKTUUZAXHPBU-UHFFFAOYSA-N 409.161 5.118 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@H](F)C[C@@H](OCc1ccccc1)C4)-c1ccccc1C2=O 586995938 NSWFFEDMGZURQB-FDDCHVKYSA-N 423.487 6.297 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(-c5ccccc5F)s4)nc13)-c1ccccc1C2=O 586996885 UZKOGKDLYGPPEW-UHFFFAOYSA-N 421.496 7.289 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)c(F)cc3[nH]2)C[C@@H]2CCCC[C@H]21 587026765 MOWXQSKPVZXQRU-BKTGTZMESA-N 417.937 5.492 0 1 HKAF Nc1c(-c2nc3cccc(C(F)(F)F)c3[nH]2)sc2cc(Br)ccc12 587030643 HBHVJZWAHBTWMV-UHFFFAOYSA-N 412.234 5.808 0 1 HKAF Clc1ccccc1CCc1nc2cc(Br)c(Br)cc2[nH]1 587060039 ZERUGMCRZOCOCX-UHFFFAOYSA-N 414.528 5.527 0 1 HKAF Fc1c(F)c(F)c(/C=C\c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(F)c1F 587133734 AZBTZXAYMVWRRU-CLFYSBASSA-N 418.390 6.580 0 1 HKAF Fc1cc(CCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc(F)c1F 587138830 SDTPPAIEKMDLID-UHFFFAOYSA-N 423.154 5.547 0 1 HKAF Fc1ccc(F)c(SCc2cccc(-c3nc4cc(Cl)cc(F)c4[nH]3)c2)c1 587140619 DSYGRUJOXXGFKA-UHFFFAOYSA-N 404.844 6.593 0 1 HKAF COC(=O)c1cc2nc(/C=C/c3ccc(C)c(F)c3)[nH]c2c(F)c1Nc1ccccc1 587146732 UNQILPTZHKUWCQ-ZHACJKMWSA-N 419.431 5.850 0 1 HKAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 587149853 NPCHHJAJPBXIET-GOSISDBHSA-N 401.363 5.802 0 1 HKAF Cc1c(O[C@@H](C)c2cc3c4c(cccc4n2)CC3)ccc2c3c(c(=O)oc12)CCCC3 587216022 QORFEDHYPQIYCR-INIZCTEOSA-N 411.501 5.767 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](C)CCc3ccc(Br)cc31)O2 587370688 HJJGEZUUVUQTFN-QKVFXAPYSA-N 400.316 5.173 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(COc4ccc(Cl)c(C)c4)o1)[C@@H](C2)C3=O 587423753 VVGMJJBUQWXQJN-SBUREZEXSA-N 410.853 5.318 0 1 HKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1COc1cc(F)ccc12 587506503 KNKPWVRZSNXEGK-SANMLTNESA-N 400.449 5.506 0 1 HKAF CCOC(=O)[C@@H]1C[C@@H](c2ccccc2)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522119 FYBPAQLCRYYGPJ-XAXKJMDRSA-N 418.533 5.416 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1c2[nH]c2ccc(F)cc12 587573534 ZFFWESLNXJDXPU-SQJMNOBHSA-N 415.420 5.206 0 1 HKAF CC(C)(C)OC(=O)Nc1c(C2CCC2)[nH]c2c1c(Br)cc1n[nH]cc12 587623637 YHKIIKPXNNBQFV-UHFFFAOYSA-N 405.296 5.421 0 1 HKAF COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1c(Cl)ccc(F)c1Cl 587624881 WEEBSJGZPQWCBH-UHFFFAOYSA-N 414.647 5.593 0 1 HKAF O=C(c1ccc(Br)cc1)c1c(C(F)F)[nH]c2ccc(F)c(Cl)c12 587629659 WCRICOUBEQDTOA-UHFFFAOYSA-N 402.597 5.892 0 1 HKAF O=C(Cc1ccc2ccccc2c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660769 SUMQCGDJSODDPI-UHFFFAOYSA-N 408.432 5.239 0 1 HKAF Cc1c(Cl)ccc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)[nH]c12 587698534 QMXSYEOVXDAYPS-AYLIAGHASA-N 407.714 5.655 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C(=C\N(C)C)c2cccc(Cl)c2)N1 587700801 MJFCYFKWTVLHMK-BCLODKLSSA-N 423.757 5.420 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](C)C(F)(F)F)N1 587710598 TVSYFCFFSUGWPS-SEDUGSJDSA-N 416.256 5.564 0 1 HKAF Fc1cc(Br)cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587784609 SIJGQHIQWJKYMQ-DHZHZOJOSA-N 423.285 6.214 0 1 HKAF CCCCOc1c(OC)cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587795334 RDSJQEAIZXKZPD-RBZFPXEDSA-N 422.338 5.399 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cs2)N1 587845437 RCMYEJKBXZHVJF-ANRSDYALSA-N 419.157 5.210 0 1 HKAF Cc1cc2c(cc1C)[C@@]1(CCS2)N[C@H](C)Cc2cc(Br)c(F)cc21 587857632 MCUCTHRGCNCBAZ-XCLFUZPHSA-N 406.364 5.479 0 1 HKAF COc1cccc(CCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 587929902 AHBSSFCJCMFLQR-UHFFFAOYSA-N 415.209 5.018 0 1 HKAF COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(C2CCCCC2)c1O 587942070 UMLNLRGKYUYEFG-UHFFFAOYSA-N 413.901 6.391 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3cn[nH]c3)c2)cc(-c2ccc3ncsc3c2)n1 653748759 UXZYXWULBKXBOE-AWEZNQCLSA-N 412.522 5.625 0 1 HKAF Cc1ccccc1[C@H](CC(=O)c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O 957602575 CVRVXTKOVUFZST-REWPJTCUSA-N 418.876 5.423 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@]12CCC[C@H](c1ccc(Cl)s1)C2 962400159 SQIGAVZIXWLRKD-KSFYIVLOSA-N 417.043 6.413 0 1 HKAF c1ccc(-c2ccc3c(c2)CCN[C@H]3c2ccc(-c3nc4ccccc4s3)o2)cc1 962659413 GNEBMPCOLUQASW-RUZDIDTESA-N 408.526 6.458 0 1 HKAF FC(F)C(F)(F)Oc1ccc([C@H]2c3ccsc3CCN2Cc2cccnc2)cc1 962998702 POBFLAZMFZFKLC-IBGZPJMESA-N 422.447 5.528 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@]2(c1ccc(Cl)nc1)c1cccc(F)c1F 963086594 BASTYCGPVPSXFO-UZUQRXQVSA-N 414.858 5.465 0 1 HKAF O=C(Cc1ccc(Oc2ccccc2)cc1)NCCc1ccc(OC(F)(F)F)cc1 1857574211 VRQXUKFKVXUVES-UHFFFAOYSA-N 415.411 5.279 0 1 HKAF CCCCn1c(-c2cc(-c3ccc(Cl)cc3Cl)[nH]c(=N)n2)nc2ccccc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c1ccc(F)c(F)c1)c1nc(/C=C/c2ccc(C(F)(F)F)cc2)cs1 61896185 VHHDLHQBPHVMCI-AMGQUURNSA-N 411.395 5.866 0 3 HKAF COC(=O)c1ccc2nc(-c3cccc(Cl)c3)c(Cc3cccc(Cl)c3)n2c1 95567754 SIYURYSVAIGEBE-UHFFFAOYSA-N 411.288 5.686 0 3 HKAF O=C(c1ccc2c(c1)[C@H](NCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 5070908 OMZIKQJNPWKYKE-XMMPIXPASA-N 418.581 5.629 0 1 HKAF CC(=O)O[C@H]1/C=C(/C)[C@H](OC(=O)c2ccc(O)cc2)C/C=C(/C)CCCC1(C)C 6303093 YUURXLYREVDXOP-YHCJQPIBSA-N 400.515 5.342 0 1 HKAF Clc1ccc(CN(Cc2ccc(-c3ccccc3)cc2)n2cnnc2)c(Cl)c1 6582609 WOUHJMVFLQEHCW-UHFFFAOYSA-N 409.320 5.590 0 1 HKAF CC(C)=CCC[C@]1(C)C=Cc2c(cc(O)c3c(=O)cc(-c4ccc(O)cc4O)oc23)O1 13379903 XWOSDRWRTNHQNR-RUZDIDTESA-N 420.461 5.488 0 1 HKAF biogenic Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1CSc1ccc(OCC(=O)O)cc1 13489479 JWWDUIBPFIEOPE-UHFFFAOYSA-N 423.412 5.425 0 1 HKAF CCC[C@H](c1ccccc1)N(CCC)c1nc(-c2ccc(OC)cc2OC)n(C)n1 13610715 DZVQJHYBCIMRMK-OAQYLSRUSA-N 408.546 5.257 0 1 HKAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@](O)(Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C 13760833 KTIOIEDSCPSAJL-ABNLNSKNSA-N 408.626 6.208 0 1 HKAF C[C@@H]1CC=C[C@H]2[C@@H](c3ccc(F)c(Br)c3)N(Cc3ccccc3)C(=O)[C@H]12 13830589 ZESNJJBGEWLRGV-HZNDTHDVSA-N 414.318 5.500 0 1 HKAF CC1=CC[C@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C 14720217 CJRZLPSJKBMUPM-XOQZZAHOSA-N 424.713 8.233 0 1 HKAF endogenous,in-man CCc1cc(CN2CCCCC2)cc(OCCCNc2nc3ccccc3s2)c1 26502900 FSEUEUZEYSWSKR-UHFFFAOYSA-N 409.599 5.726 0 1 HKAF Cc1cc(C)cc(-c2c(OC[C@H]3CCCN(C)C3)c3cc(Cl)ccc3[nH]c2=O)c1 26578533 GDQCFNBHLMLAFR-KRWDZBQOSA-N 410.945 5.186 0 1 HKAF O=C1Nc2ccc(Cl)cc2[C@@H](c2ccccc2)N[C@@H]1Cc1c[nH]c2ccccc12 28240633 SCUOXPXCQXEGTR-DHIUTWEWSA-N 401.897 5.064 0 1 HKAF CCCCCc1ccc(OCCCCCCCCCCC(=O)NC2CC2)cc1O 28649254 ZUZXFSJBHTVPLR-UHFFFAOYSA-N 403.607 6.293 0 1 HKAF Cc1cc(SC(F)(F)C(F)F)ccc1NC(=O)NC(=O)c1c(F)cccc1F 31500117 UZEFSCUGGLZEIR-UHFFFAOYSA-N 422.350 5.185 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@@H](C)C=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 36189522 FAGYSQSLIMHWHR-GSDPNKJRSA-N 413.690 7.300 0 1 HKAF CCOc1ccc(-c2nc(-c3ccc(CCC(=O)O)cc3C)no2)cc1C(F)(F)F 38157810 BBJJPZVEFXGVBW-UHFFFAOYSA-N 420.387 5.147 0 1 HKAF O=C(Sc1ccccc1)S[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 39233099 XPBYCGLPFKFRAV-QGZVFWFLSA-N 409.363 6.577 0 1 HKAF C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1ccccc1 40393469 BFHZIJQQMQWEIY-VQMWNABPSA-N 423.641 6.462 0 1 HKAF CC[C@H](C)CN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(Cl)c(Cl)c1 40412740 FCUZYJPQVKCVEM-RQUSPXKASA-N 406.309 5.405 0 1 HKAF COc1cccc(CCc2ccccc2OCCCCN2CCc3ccccc3C2)c1 40943668 OPXRSVLLXLRXFI-UHFFFAOYSA-N 415.577 5.698 0 1 HKAF COc1ccc(-c2nc3c(C)cc(Br)cn3c2NC2CCCC2)cc1O 43122611 WZIQIZCLJJDMCM-UHFFFAOYSA-N 416.319 5.141 0 1 HKAF Cc1ccc(C(=O)Nc2ccc(O[C@H]3CCN(CCC(C)C)C3)c(Cl)c2)cc1 45168866 UVHOBWXZLVRRKN-FQEVSTJZSA-N 400.950 5.400 0 1 HKAF O=C(c1cc2ccccc2o1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1Cl 71296216 MKWYROQDEXXERI-OAQYLSRUSA-N 400.865 6.078 0 1 HKAF CC(=O)Oc1cc(-c2ccc(C(F)(F)F)cc2)c(OC(C)=O)cc1-c1ccccc1 71329937 OOIJDWCZNLQEOD-UHFFFAOYSA-N 414.379 5.890 0 1 HKAF Clc1ccc(Cn2cnc(-c3ccccc3)c2-c2c[nH]c3cc(Cl)ccc23)cc1 84603291 FNCHBNHNYWOHDO-UHFFFAOYSA-N 418.327 7.054 0 1 HKAF CCCCCOc1ccccc1-c1cc(C(=O)Nc2cccc3ccccc23)no1 96913505 WNMUNCBPLVBBLK-UHFFFAOYSA-N 400.478 6.316 0 1 HKAF Oc1cc(N[C@H]2CC[C@H](NCc3ccc(Cl)c(Cl)c3)CC2)nc2ccccc12 100771572 QTTUVMMVQNZBRE-IYBDPMFKSA-N 416.352 5.760 0 1 HKAF FC(F)(F)c1cccc(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)c1 103279667 JBMMQFUQOHONCF-UHFFFAOYSA-N 410.483 6.112 0 1 HKAF O[C@@H]1CC[C@H](c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)C1 139147266 XIDKCIBKXWPXKX-DOTOQJQBSA-N 403.507 5.856 0 1 HKAF C[C@H]1CC[C@H](O)C/C1=C\C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CC[C@H](O)C(C)(C)O 238731114 DQKNOQRSTKDKAN-OQGWAMQNSA-N 418.662 5.785 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3 261516994 CYEADWAQMXQSDD-DIADYQGESA-N 400.691 7.923 0 1 HKAF Cc1oc2c3c(ccc2c(=O)c1C)OC[C@H]1[C@@H]3c2ccc3ccccc3c2OC1(C)C 299824049 AIRJPJNDYGEDEK-UNMCSNQZSA-N 412.485 5.875 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cnc(Br)cc4[nH]3)cc2)CC1 586878929 BWUJSFBZWZNZAW-WKILWMFISA-N 412.375 6.851 0 1 HKAF FC(F)(F)Oc1cc(Br)cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c12 586888084 WFTGLNFCQLNZBG-ACJLOTCBSA-N 423.232 5.596 0 1 HKAF Fc1cc(Cl)cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 586997860 FLAMHGUVYBNKIN-VURMDHGXSA-N 417.665 6.548 0 1 HKAF c1csc(SCc2c(-c3nc4ccc5ncccc5c4[nH]3)oc3ccccc23)c1 587012381 WZFVZJQTJXMKGD-UHFFFAOYSA-N 413.527 6.878 0 1 HKAF COc1cccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c12 587019369 YFRGQCQTDDEHEJ-UHFFFAOYSA-N 418.349 6.328 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587033537 IFGTXTGXRIVRCF-LBPRGKRZSA-N 419.337 5.751 0 1 HKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Br)cc(Cl)c2[nH]1 587070988 ZDMLEDJZADNCBI-VIFPVBQESA-N 412.114 6.009 0 1 HKAF NC(=O)c1cccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587072310 YDABRJHLENMJOM-FMIVXFBMSA-N 403.869 5.065 0 1 HKAF Nc1ccc(-c2ccc3[nH]c(-c4ccc5ccc(Cl)c(Cl)c5n4)nc3c2)cc1N 587083324 OLKVYRWKYMYKCG-UHFFFAOYSA-N 420.303 5.916 0 1 HKAF C/C=C/C[C@@H]1c2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C[C@H]1CC(=O)OC 587098274 QBHJPLXWSXRFOO-XLYSIVADSA-N 411.501 5.540 0 1 HKAF CCc1c(-c2ccc(Cl)cc2Cl)nc2cccc3c2c1-c1ccccc1C3=O 587103347 GAENSZSWXBNUIE-UHFFFAOYSA-N 404.296 6.982 0 1 HKAF Fc1cnc(Br)c2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc12 587113763 ZMMWAZXLSGVOMM-UHFFFAOYSA-N 411.156 5.094 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@H](C)Oc4ccc(F)c(F)c4)[nH]c3c2)cc1 587152373 ZWYDGOFJEVSVIP-ZDUSSCGKSA-N 424.403 5.560 0 1 HKAF Fc1ccc(-c2cn3c(Cc4nc5cc(C(F)(F)F)ncc5[nH]4)csc3n2)cc1 587166136 NJILPVGJKNGVGB-UHFFFAOYSA-N 417.391 5.083 0 1 HKAF Nc1ccccc1[C@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335479 LUCDQRXUGZWFAR-RSXGOPAZSA-N 417.480 5.558 0 1 HKAF Cc1nn(C(C)C)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343400 SJIAURFXOSVGRU-VWNXMTODSA-N 408.473 5.200 0 1 HKAF C[C@]1(CC23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349963 CYXONGCMJUQSER-NBLLPVJDSA-N 420.524 6.255 0 1 HKAF COc1cccc(-c2cc(-c3cc(C)c(OC)c(C)c3)nc3c2oc2ccccc23)c1 587363022 ORDOPQYGLQOLQJ-UHFFFAOYSA-N 409.485 6.949 0 1 HKAF COc1cccc(-c2cc(-c3nn(C)c4ccccc34)nc3c2oc2ccccc23)c1 587363883 QDRCHFQPBCLJAP-UHFFFAOYSA-N 405.457 6.210 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C2=C(CC3)NC(=O)[C@@H](C)C2)c1 587363919 ULEJVMWUMAKMGQ-AWEZNQCLSA-N 410.473 5.470 0 1 HKAF COc1cccc(-c2cc(Cc3ccccc3SC)nc3c2oc2ccccc23)c1 587366588 UNXMHFFRRVKIGO-UHFFFAOYSA-N 411.526 6.969 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o1)O2 587381397 IBCADOUBFUSSAW-LJQANCHMSA-N 421.802 6.216 0 1 HKAF COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCc1cccc(F)c1 587384594 NEXFZMVITUOVCC-JOCHJYFZSA-N 407.441 5.010 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1sc(Nc4cc(C)ccc4C)nc1C)[C@@H](C2)C3=O 587453667 XYVZHJTYGQDUMN-XDHUDOTRSA-N 420.534 5.483 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cn3cc(Cl)cn3)c(C)s1)CC2=O 587492250 NXTZJWAVVFVVRD-IBGZPJMESA-N 416.930 5.319 0 1 HKAF O=C1C[C@H](c2cc3cc4c(cc3nc2Cl)OCCO4)Oc2c1ccc1c2CCCC1 587499774 NAQYMOXNEHPDOY-HXUWFJFHSA-N 421.880 5.245 0 1 HKAF O=C1C[C@@](c2ccccc2)(c2ccc(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 587501710 CPRDOFBFLPBPHZ-RUZDIDTESA-N 423.339 6.781 0 1 HKAF CCCCN(CCCC)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587503789 ILEBJHMVWDXLLJ-AREMUKBSSA-N 405.582 6.679 0 1 HKAF O=C1C[C@]2(CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)Oc2c1ccc1c2CCCC1 587507657 NNUAYXYMBUZJOY-UZUQRXQVSA-N 400.440 6.256 0 1 HKAF CCOC(=O)[C@H](Cc1ccccc1C)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525095 PTHORRKVKBMZPO-BKMJKUGQSA-N 406.522 5.020 0 1 HKAF COc1ccccc1/C=C1\N2CCC(CC2)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526406 PLVIVVZSMHEJDE-ZGOFBEGVSA-N 415.533 5.045 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(F)cc2)cc1 587567413 AGCIROFEDSYWFH-OZXSUGGESA-N 412.416 5.901 0 1 HKAF Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 587603886 SCHYZUVHWQUYIT-SHQCIBLASA-N 408.453 6.071 0 1 HKAF CC(C)Sc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587609042 UKXYXKBCRGNBCK-ZJSXRUAMSA-N 406.503 5.770 0 1 HKAF C[C@@]1(c2cscc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619107 QUNFGUIVSKJJGA-LPHOPBHVSA-N 417.280 5.093 0 1 HKAF CC(=O)c1c(-c2cc(Cl)ccc2O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626694 VHWJVGNMHMEOKF-UHFFFAOYSA-N 421.724 6.434 0 1 HKAF CCOC(=O)c1c(-c2ccc(Br)cc2F)[nH]c2ccc([C@@H](C)CC)cc12 587643508 VAISKFQAEVRZRC-LBPRGKRZSA-N 418.306 6.427 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2F)N1 587715398 HMMNWUDUMFMULL-PWJLMRLQSA-N 417.091 5.113 0 1 HKAF CC(=O)c1cccc(/C=C/[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F 587727719 PCYAGDRWADLZLI-RELNCKHVSA-N 406.270 5.219 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1/C=C/[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813159 BPXZPNKZNPAUMB-QDOWRZFESA-N 406.383 6.276 0 1 HKAF C/C=C/[C@]1([C@@H]2C(C)=CCCC2(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587816265 VYDICNKCEDBQCE-UBEVNQNKSA-N 406.383 6.276 0 1 HKAF CCc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 587825514 AGSZODWBDHLWFU-WHEQGISXSA-N 414.318 6.034 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)s2)N1 587847615 LTAWQDWYKAXDLY-AYVTZFPOSA-N 419.157 5.210 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cncc2ccccc12 587858870 OEGAZEHHXYYIJP-UHFFFAOYSA-N 412.276 5.492 0 1 HKAF COc1ccc2nc(Oc3cc(Cl)cc(Cl)c3)nc(NCc3ccco3)c2c1 653762952 KMRLQGBZHSOWCY-UHFFFAOYSA-N 416.264 5.943 0 1 HKAF Cc1cc2c(cc1F)[C@@](c1ccc(Cl)cc1)(c1ccc(C(C)(C)C)cc1)NCC2 962298588 NDGRVTRYWWBHEL-SANMLTNESA-N 407.960 6.523 0 1 HKAF Cc1cc(C)cc(CC[C@@]2(C3CC3)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962730209 MJISXFUICRYWNJ-GMAHTHKFSA-N 401.472 5.187 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1ccccc1OCc1ccc(Cl)cc1 963089258 GJUJEHDZBZBERW-SQJMNOBHSA-N 407.916 6.168 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 963244960 YSFIEFOPHCNXFX-AZJIPXMKSA-N 413.649 6.998 0 1 HKAF COc1ccc2c(c1)[C@@H](c1cc3c(C)cc(C)cc3[nH]1)N(Cc1ccc(F)cc1)CC2 963290417 VKFLPIWMMUKXLX-MHZLTWQESA-N 414.524 6.080 0 1 HKAF Oc1ccc2c(c1)[C@@](CCc1ccc(F)cc1)(c1c(Cl)cccc1Cl)NCC2 963340752 HVSOUCUXYQAHRE-QHCPKHFHSA-N 416.323 5.860 0 1 HKAF C[C@]1(C2CCCCC2)O[C@@]2([C@@H]3CCC[C@H](Cc4ccc(=N)[nH]c4)C3)CC[C@H]1[C@@H](N)C2 2356292415 GUPREHWSCHTEKF-AHPAJYDVSA-N 411.634 5.078 0 1 HKAF CCCCC[C@H](O)C=CC(=CCCCCCCCC(=O)O)Cc1cccc(O)c1 2356373435 AFQXEDJRLDNVOM-QHCPKHFHSA-N 402.575 6.174 0 1 HKAF CN[C@@H](C)[C@@H]1[C@H](OC)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@]35CC[C@]12C 2356387951 MDDPOAHYGDIGBP-SPTGXSKESA-N 416.694 5.246 0 1 HKAF C[C@@H]1CCC([C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5[C@H](O)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)=NC1 2356540547 BLVNKXGGFFUMSS-KKJCCZMQSA-N 413.646 5.404 0 1 HKAF O[C@H]1C=CC[C@@](O)(CCCCCCCCCCCC=CCCCc2ccccc2)C1 2356695002 PWMTUNFJUOXOCX-NSOVKSMOSA-N 412.658 7.299 0 1 HKAF CC1(C)C2=CC[C@@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC[C@H]1C(=O)O 2356700142 YGLGULHMTYKQDP-JNXQTUEWSA-N 402.619 6.063 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CC[C@]1(C)C2=C(CC[C@H]1C)C(C)(C)CCC2 2356852300 QOYQXVXFFWDLHS-BCHFMIIMSA-N 423.649 5.942 0 1 HKAF CCCn1c([C@H]2CCCN2c2nc(-c3ccc(OC)cc3)cs2)nc2ccccc21 15937204 MDBAGKUSUOFNKH-JOCHJYFZSA-N 418.566 5.920 0 3 HKAF C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)C4=CC[C@]23C)O[C@@]12CC[C@@H](C)CO2 299872631 QCVKYDNFSXDPSW-LIHAUJKYSA-N 414.630 5.714 0 3 HKAF in-vitro O=C1[C@@H](c2ccccc2)[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1c1ccccc1 12851086 CRLQJTSACHTAGF-LJWNLINESA-N 403.525 6.209 0 1 HKAF O=C(Cc1csc2ccccc12)N[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 13586759 OJILXUXJQHORBV-MRXNPFEDSA-N 419.377 5.141 0 1 HKAF Cc1ccc2c(c1)[C@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1CC2 13735322 AFNCMVHFJLXGFL-HHHXNRCGSA-N 411.589 7.111 0 1 HKAF CCc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1 27707609 JZCAAARUYARJOI-DDVDASKDSA-N 417.480 5.197 0 1 HKAF O=C(OC1CCCC1)c1ccccc1CSc1c(O)cc(-c2ccccc2)oc1=O 32016348 JBBSGFAPNHDPOI-UHFFFAOYSA-N 422.502 5.404 0 1 HKAF CC(C)=CCC[C@@H](C)C[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O 34114940 TUKLOVZJWPPQNS-WRXGLKQZSA-N 404.591 5.264 0 1 HKAF Cc1cc2c(c(=S)[nH]1)C(=O)O/C2=C\c1csc2ccc(Br)cc12 40379494 BWFYBFMBRQAONB-ACAGNQJTSA-N 404.310 5.698 0 1 HKAF O=C(O)c1cccc(-n2cncc2-c2cc(Cl)ccc2OCc2ccccc2)c1 40564205 PGBMWNVGYFSLII-UHFFFAOYSA-N 404.853 5.470 0 1 HKAF CCCOc1ccc(Oc2ccc(-c3ccc([C@H](C)NC(=O)[C@@H](C)O)cc3)cc2)cc1 45245485 LONHCXUKBQXAMV-RBUKOAKNSA-N 419.521 5.493 0 1 HKAF CC(=O)Nc1ccc(OC(=O)c2ccccc2Nc2ccnc(C(F)(F)F)c2)cc1 45388623 IZCCBFBGIRJODV-UHFFFAOYSA-N 415.371 5.022 0 1 HKAF COc1ccc(Cc2nc(C)ccc2OC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC 68572820 APLPHDAYBYUSRJ-UHFFFAOYSA-N 421.537 5.120 0 1 HKAF biogenic C/C=C(\C)[C@H](O)[C@H](C)/C=C(C)/C=C/C[C@@H](C)/C=C/c1oc(OC)c(C)c(=O)c1C 72116149 PIYNCLUPGLBENL-XOKSWVDPSA-N 400.559 5.770 0 1 HKAF CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(-c2cccnc2)s1 96271711 WJYWKEJHMIEDRD-UHFFFAOYSA-N 403.511 5.829 0 1 HKAF Cc1ccc(Cn2cc(C(=O)NCC3CCC(F)(F)CC3)c3ncccc32)c(C)c1 103248961 HMQDMCWRAFEIME-UHFFFAOYSA-N 411.496 5.257 0 1 HKAF CCCOc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)OC(C)C 103543334 WPLICJINWMTIFU-JOCHJYFZSA-N 411.542 5.871 0 1 HKAF CC1(C)CC2=Nc3ccccc3N[C@H](/C(Br)=C\c3ccccc3)C2=C(O)C1 103943790 SHRSGOCRAUCRAD-CNCHJIQNSA-N 423.354 6.621 0 1 HKAF Cc1ccccc1-n1c(SCc2ccc(C(F)(F)F)cc2)nc2nncc-2c1O 103952325 XDIFNPCYOVDFSJ-UHFFFAOYSA-N 416.428 5.092 0 1 HKAF N#Cc1cccc(S(=O)(=O)c2cnc3c(F)cccc3c2-c2ccc(Cl)cc2)c1 115924812 MBOHRXJQTIGYJY-UHFFFAOYSA-N 422.868 5.399 0 1 HKAF N#Cc1cc(COc2ccc3c(c2)cc2n3CC[C@H]2CC(=O)O)ccc1C1CCCC1 117785671 RXTPJDXUECAAGM-IBGZPJMESA-N 414.505 5.712 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137559135 PRKPDIRLXGMLSU-SNPVPZKZSA-N 400.691 7.491 0 1 HKAF Cc1ccc(-c2c(CN)c(CC(C)C)nc3ccc(-c4ccc(C(=O)O)o4)cc23)cc1 149122815 WPNSVJXZTAPFSZ-UHFFFAOYSA-N 414.505 5.826 0 1 HKAF Cc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@@H]32)cc1 169291708 OHYAUCCFBSIOPM-YCVJPRETSA-N 417.577 7.725 0 1 HKAF CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc(C)o2)[C@H]2C(=O)CC(C)(C)CC2=N1 169688120 WFJKPVCDYXVPPB-PKTZIBPZSA-N 404.510 5.353 0 1 HKAF O=C(Nc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc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c1[nH]nc2c1[C@@H](c1cccc(Cl)c1Cl)c1c(nc3c(c1N)CCCC3)O2 299830234 XKJSEWFLTQKDNA-OAHLLOKOSA-N 401.297 5.167 0 1 HKAF Cc1cc(Br)c2nc(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3)[nH]c2c1 586878341 DUDVOJCPGXZQGI-UHFFFAOYSA-N 421.294 5.974 0 1 HKAF Cc1ccc([C@H](C)[C@@H](O)c2nc3c(Br)ccc(Br)c3[nH]2)cc1 586889254 LYQOTORBXPWMTH-MGPLVRAMSA-N 424.136 5.233 0 1 HKAF Cc1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Cl 586986447 XQZVQPIZRQNQDB-GOSISDBHSA-N 404.739 5.472 0 1 HKAF Cc1c(-c2cccc(Br)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586992522 CMNJBQQHAWMBMX-UHFFFAOYSA-N 414.302 6.493 0 1 HKAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(Br)cc(Cl)c3[nH]2)s1 587014270 KQXXHRJOAUTLIC-MRVPVSSYSA-N 400.729 5.508 0 1 HKAF COc1cc(-c2nc3cc(Br)c(C)nc3[nH]2)cc(Cl)c1OCC(C)C 587044792 SAYCJBYQARBBIP-UHFFFAOYSA-N 424.726 5.393 0 1 HKAF Cc1onc(-c2nc3c(Br)cccc3[nH]2)c1COc1ccccc1Cl 587063507 OTKXBYFXARKJJX-UHFFFAOYSA-N 418.678 5.521 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c(Cl)ccnc4[nH]3)c(Cl)cc12 587078689 ZQADUFBLONDLKX-SNVBAGLBSA-N 418.280 5.464 0 1 HKAF CCc1ccc(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 587101784 VXQFHCFNSUEWRO-UHFFFAOYSA-N 407.469 5.611 0 1 HKAF FC(F)(F)Sc1ccc(/C=C\c2nc3cncc(Br)c3[nH]2)cc1 587123831 HITWVVPBXXXKEZ-UTCJRWHESA-N 400.223 5.503 0 1 HKAF Clc1ccc(I)cc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 587183612 ZHQFGUZKKJZMDP-UHFFFAOYSA-N 424.456 5.190 0 1 HKAF Oc1nc2ccc(F)cc2c(-c2ccc(F)cc2)c1-c1cc2c3c(cccc3n1)CC2 587212136 DYZZAHMBNMVOMJ-UHFFFAOYSA-N 410.423 6.199 0 1 HKAF CC(C)(C)[C@@]1(Cc2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340866 UPSMBPGXTHQNIQ-RDGATRHJSA-N 405.469 5.313 0 1 HKAF C[C@]1(c2ccc(N3CCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345519 PSSGFOMTEKANLP-AZGAKELHSA-N 417.480 5.406 0 1 HKAF C[C@]1(c2cccc(-c3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351678 GVVHEAHNSJLMRO-XTEPFMGCSA-N 424.471 6.473 0 1 HKAF COc1cccc(-c2c(CCc3ccc(C)c(C)c3)cnc3c2oc2ccccc23)c1 587365606 HXHFYRDPTMMCGN-UHFFFAOYSA-N 407.513 7.059 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(C(=O)O)ccc2C3)c1 587367144 UARIRFPOQCXIFI-UHFFFAOYSA-N 407.425 5.926 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](Cc2ccccc2)C3)c1 587367421 PWCNIHZKDRKLPM-IBGZPJMESA-N 405.497 6.614 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ccc1OCc1ccccc1F)O2 587386227 UROKSOZGAWGWPR-QFIPXVFZSA-N 411.860 5.655 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)cc(C34CC5CC(CC(C5)C3)C4)c1O)O2 587402702 BKLBBVYKVAQZIV-FUVUBJJASA-N 417.549 5.766 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4ccc(C)c(Cl)c4)cc1)[C@@H](C2)C3=O 587417592 CNCPNFKRXORIRJ-CPJSRVTESA-N 404.893 5.987 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(CN3CCC(C)CC3)c1)CC2=O 587477975 YRCGQQXYLWACLW-VWLOTQADSA-N 423.553 5.292 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587518218 CNKOHXWXXKDABS-UMEGOILYSA-N 411.542 5.079 0 1 HKAF Cc1ccccc1-c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 587615069 VJSSSGFDRBDQKE-NZQKXSOJSA-N 415.470 5.527 0 1 HKAF CCOC(=O)c1[nH]c2ccc([C@H](C)CC)cc2c1C(=O)c1ccc(C(F)(F)F)cc1 587643504 UZQSSLIYMMYMAB-CYBMUJFWSA-N 417.427 6.108 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(F)(F)F)cc2)N1 587709534 AWTFWRJBTOVPFB-QGHHPUGFSA-N 418.228 5.153 0 1 HKAF Cc1cc(OC(F)(F)F)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587715344 BPBMBOBHDQKSER-BMLIUANNSA-N 418.228 5.419 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(Br)c2)N1 587728447 FAAOOURQNLCTIU-PWJLMRLQSA-N 417.091 5.113 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccc(F)cc3)c2)N1 587735412 PRSIWAJKBCBMMB-WHEQGISXSA-N 414.293 6.018 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3ccc(F)cc3)n2)N1 587736889 VAPOTJJABLDAMC-XTZNXHDOSA-N 421.310 5.474 0 1 HKAF Oc1ccc(OCc2ccccc2)cc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 587782970 UKJXIWOOMZZPRA-UHFFFAOYSA-N 400.356 5.413 0 1 HKAF Fc1cc2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2cc1C(F)(F)F 587784144 MVPWDLNDTRUVAL-FLIBITNWSA-N 412.386 6.470 0 1 HKAF Cc1nc(-c2ccccc2)[nH]c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587791987 NSLYRBBOERHVEU-QKVFXAPYSA-N 414.322 5.084 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)CCC3)(C(C)(C)C)N1 587812957 MFFYCJHAFQDSDD-PSLXWICFSA-N 416.378 5.901 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)Cc2ccccc2-3)N1 587817794 BBPBZODJRVALOE-ZLOXQWCVSA-N 408.314 5.783 0 1 HKAF CC[C@]1(c2ccc3c(c2)CCCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 587836058 RHWOVFJPYZXHFX-LRTDBIEQSA-N 404.323 5.101 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SC(C)(C)C)cc2)N1 587841095 PKISZEXCUWINJN-BUXKBTBVSA-N 408.380 6.102 0 1 HKAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1 587929370 HWTFRWLUIRIJTN-LHSJRXKWSA-N 415.331 5.566 0 1 HKAF CO[C@H](C)COC1CCC(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CC1 587950888 DWRGJJJAPSKCDL-XSRFYTQQSA-N 424.385 5.678 0 1 HKAF Cc1ccccc1[C@@H]1C[C@@H]1[C@@]1(C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962644195 RFWJOAYLBKUYGV-MVWACUTHSA-N 408.589 5.761 0 1 HKAF C[C@]1(CCC(=O)c2ccccc2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962949254 DXOCIDFGKCPWBF-JOCHJYFZSA-N 417.471 5.235 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccccc1OC)c1ccccc1SC 963241532 MVRKFOIPDYOMMV-HRFSGMKKSA-N 417.618 6.366 0 1 HKAF CCOC(=O)CCCCCC[C@@]1(c2ccccc2Cl)NCCc2ccc(O)cc21 963353833 UKQSHIWJXWJQBV-DEOSSOPVSA-N 415.961 5.339 0 1 HKAF CCc1cc(-c2sc(Cc3cccc(C(F)(F)F)c3)nc2C)ccc1C(N)=O 1772574115 GLCIFRGIKKCIBI-UHFFFAOYSA-N 404.457 5.389 0 1 HKAF Cc1cnc([C@H](CC(=O)O)c2cc(Cl)cc(-c3cccc(Cl)c3F)c2)s1 1772637757 AYXWKYBBUVMJHL-OAHLLOKOSA-N 410.297 6.171 0 1 HKAF COc1ccc(-c2csc(-n3nc(C)cc3-c3cc4ccccc4oc3=O)n2)cc1 1857576032 NAKSEEFOJVRTGP-UHFFFAOYSA-N 415.474 5.086 0 1 HKAF CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@@H]1C[C@@H]1c1ccc(F)cc1 1857592757 HKDMXVFAYYQTRF-JTHBVZDNSA-N 421.560 5.333 0 1 HKAF Cc1ccc(CSc2nc(N)c3c4c(sc3n2)C[C@@H](C(C)(C)C)CC4)s1 1857748749 MONCEUMMVDWRDL-LBPRGKRZSA-N 403.642 6.087 0 1 HKAF CCCCCC=CCC=CCCCCCCCCCCCC(=O)OC[C@@H](O)CO 2356285230 UCYPOAPUDLUXQX-DEOSSOPVSA-N 410.639 6.257 0 1 HKAF C[C@@H]1c2ccoc2C[C@@H]2[C@@H]1C[C@H](OC(=O)c1ccccc1)[C@]1(O)C(C)(C)CCC[C@@]21C 2356516512 ZZXWDPBNAKZNOO-NKHBZTIESA-N 422.565 5.748 0 1 HKAF C[C@@H]1CC[C@]2(C)CC[C@]3(C)C4=CC[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@H]3[C@H]2[C@@H]1C 2356565717 IWLJRULODREZBY-HVQZJZHUSA-N 412.702 7.635 0 1 HKAF CC1=C[C@H](CNCc2ccccc2)[C@@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 2356761298 VSXOCJFQZLURFB-RBZQAINGSA-N 401.598 6.058 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356801705 RQWFQYUNTZZGLZ-UYIJQFQSSA-N 416.690 6.606 0 1 HKAF CC1=CC[C@]2(C)C(=O)O[C@H](O)[C@H](C(C)C)[C@H]2CC=C(C(=O)O)C2=C(CC1)[C@H](C)CC2 2356855379 RCRCHROCRHFZHP-AEEZNRTOSA-N 416.558 5.014 0 1 HKAF CC(C)n1cnc2c(NCc3ccccc3)cc(N[C@@H](CO)Cc3ccccc3)cc21 61948909 VZXPTZJSWVSPLY-HSZRJFAPSA-N 414.553 5.245 0 3 HKAF COc1ccc2c(c1)[C@@H]([C@H](Nc1ccc(C)cc1)c1ccc(Cl)cc1)C(=O)N2C 206048866 PBTUFFOCWZAJHP-XZOQPEGZSA-N 406.913 5.570 0 3 HKAF O=C1C(Nc2ccccc2)=C[C@H](c2ccc(C(F)(F)F)cc2)N1c1ccc(F)cc1 211058449 SUJIQPVSFCKIFP-OAQYLSRUSA-N 412.386 5.928 0 3 HKAF COc1ccccc1CNC(=O)c1c(C(C)(C)C)noc1-c1ccc(C(C)C)cc1 775954 LJHPHJCMVIBTSJ-UHFFFAOYSA-N 406.526 5.701 0 1 HKAF COc1cccc(CC(=O)Oc2ccc3[nH]c(C(=O)c4cc5ccccc5[nH]4)cc3c2)c1 13472555 XFHINVYFUFBZPF-UHFFFAOYSA-N 424.456 5.037 0 1 HKAF NS(=O)(=O)c1ccc(-c2[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)cc1 13477370 MOCJJBLAAWLLDR-UHFFFAOYSA-N 417.317 5.456 0 1 HKAF CCN(CC)CCC[C@@H](C)Nc1nccc(OCc2ccc(Cl)cc2Cl)n1 28523218 GEUWNBQWPFHPFW-OAHLLOKOSA-N 411.377 5.285 0 1 HKAF CC[C@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4ccc(C)cc4)oc3C)ccc21 28563441 PVTZPAMEGKOLDH-GMAHTHKFSA-N 419.521 5.721 0 1 HKAF Oc1ccc(OCc2ccc3ccccc3n2)cc1[C@]1(c2ccccc2)C[C@H]2CC[C@@H]1C2 29040784 ZKLNDDMIESNWFZ-MMOLPGFLSA-N 421.540 6.626 0 1 HKAF CCCCSCCCCCCCCCCC(=O)Nc1ccc(C(=O)OC)cc1 29216656 OCOYLMYEWGYNRM-UHFFFAOYSA-N 407.620 6.456 0 1 HKAF CC(C)N(C(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 34801268 DXSCVNXGNJVZAB-MALOBWPNSA-N 412.618 5.013 0 1 HKAF CC(C)CNc1ccc2c3c(cccc13)C(=O)N(c1cccc(Br)c1)C2=O 35919732 SBCAEDIFRQXJCA-UHFFFAOYSA-N 423.310 5.471 0 1 HKAF COC(=O)[C@@H](Oc1ccc(Cl)c(C)c1)c1ccc(Oc2ccc(Cl)cc2)cc1 39242774 ITFXYOXAQVPRFM-NRFANRHFSA-N 417.288 6.387 0 1 HKAF CCO[P@@](C)(=O)Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 40395190 YCZQPIPSISTQIP-HHHXNRCGSA-N 414.467 5.694 0 1 HKAF CCOC1(O[C@H]2CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)CCCC1 45497086 AKBRBKNNJBCMTG-NMTVEPIMSA-N 402.619 6.290 0 1 HKAF COc1ccc(-c2c[nH]c(-c3cccc(CN4CCC(F)(F)CC4)c3)n2)c(F)c1 66259690 MKOCWWZXSVIVFC-UHFFFAOYSA-N 401.432 5.123 0 1 HKAF Cn1c(-c2ccc(-c3cnccn3)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1 71318937 PZAIZRLLCHXVBJ-UHFFFAOYSA-N 401.901 5.063 0 1 HKAF CC(=O)Nc1nc2ccc(-c3ccnc(NC(C)(C)c4ccccc4)n3)cc2s1 71330139 YWWPYGURSDURBZ-UHFFFAOYSA-N 403.511 5.059 0 1 HKAF Fc1ccc(-c2nc(NC[C@H]3CCCO3)ncc2-c2nc3ccccc3s2)cc1 82164435 ZVVHEPYEMVWHKT-MRXNPFEDSA-N 406.486 5.150 0 1 HKAF Cc1ccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3F)n2)o1 82175089 DMTPKSZIYBCCKY-UHFFFAOYSA-N 416.481 6.073 0 1 HKAF CCCCCn1c(-c2ccc(Cl)cc2)nc2c(NC3CCCCCC3)ncnc21 82188724 FVZZBHSHOHVECD-UHFFFAOYSA-N 411.981 6.472 0 1 HKAF Cc1c(-c2nnc(-c3ccccc3)o2)sc2ncnc(Nc3ccc(Cl)cc3)c12 95577735 RSMQDJOFDQLJPH-UHFFFAOYSA-N 419.897 6.114 0 1 HKAF CCCCCn1cc(C(=O)N[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21 95580438 ZFRFZWWSLWYYAE-CDSRXRBVSA-N 412.549 5.275 0 1 HKAF Clc1ccc(C2=NN(c3ccccc3)[C@@H](c3cccc4ccccc34)C2)cc1Cl 95582972 LGGXKYNJQDCCPN-RUZDIDTESA-N 417.339 7.502 0 1 HKAF Cc1nc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(F)cc2)oc1C 105191771 SWXXMMLRXFSWGW-AACQNTANSA-N 420.532 6.037 0 1 HKAF CC[C@@H](C)[C@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1)CCCC3 113125423 IUPGJXUVHFRYGH-QRWLVFNGSA-N 407.579 6.673 0 1 HKAF C[C@H](Nc1nccc(N2C(=O)OCC2(C)C)n1)c1ccc(Oc2ccccc2)cc1 142150935 SUBXZMWHSNZXNJ-INIZCTEOSA-N 404.470 5.177 0 1 HKAF CC1(C)OC(=O)N(c2ccc(-n3c(=O)oc4ccccc43)cc2)[C@H]1c1ccccc1 147156001 FRPAWKVPIVBGRV-NRFANRHFSA-N 400.434 5.060 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1ccc(-c2ccccc2)s1 166744735 GSZNHHZGYCSYMK-LJQANCHMSA-N 407.535 5.686 0 1 HKAF C[C@H](c1cccc2ccccc12)N1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 169312121 WYSVTAFOGXZFNZ-GOSISDBHSA-N 406.957 5.583 0 1 HKAF C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(c1ccccc1)CCN2CCCCc1ccccc1 169314786 ATCCNBMEPYAEEA-WVLFPKRMSA-N 411.589 5.968 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C(=O)O)[C@@H](C)CC 169622509 PDJHDVCMHSOQTA-JIAPQDDQSA-N 417.634 6.748 0 1 HKAF N=C(CC1CCCCC1)[P@@](=O)(O)C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O 169718200 ZKFJQRDEHZRABO-OAHLLOKOSA-N 419.380 5.167 0 1 HKAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2c1cc(C(F)(F)F)[nH]n1 195317977 VDGOOKRFIJJCSX-QXTHDXFBSA-N 410.524 5.916 0 1 HKAF CO[C@@]12C[C@@](C)(O)[C@H]3C[C@@]4(C)CC[C@H]([C@@H](C)/C=C\C=C(C)C)[C@@H]4CC=C(CO1)[C@H]32 198877768 FGDVBOIMXKJEPX-VCGQONQMSA-N 400.603 5.658 0 1 HKAF CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1cc(-c2ccccc2)nc2ccc(OC)cc12 253951437 VDHJBPQFAPAQBH-IPFQZCJUSA-N 402.538 5.064 0 1 HKAF CCCc1cnc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)c(F)c1 473099718 GXACTLUADKLFGU-UHFFFAOYSA-N 405.420 5.525 0 1 HKAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 586972645 JTMGOWMVOLJHGZ-QHCPKHFHSA-N 417.534 5.466 0 1 HKAF Cc1ncc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)c(C)c1Br 586979040 OUKVXLQWWXSDNM-UHFFFAOYSA-N 409.125 5.384 0 1 HKAF CSc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587028680 YWGIWJYCQZLVPE-BEVDRBHNSA-N 411.596 5.421 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cnc4ccccc4c3[nH]1)N2 587031485 ODXCEQFKJNGILY-GFQQVXNGSA-N 421.551 5.238 0 1 HKAF Fc1cnc2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2c1 587064874 WMSBVJHVTXBHEW-UHFFFAOYSA-N 406.848 5.451 0 1 HKAF FC(F)(F)c1cc(Br)cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c12 587087604 MAEPXAMTJPCTLN-UHFFFAOYSA-N 414.612 6.146 0 1 HKAF CCCCCOc1cc2nc(C(F)(F)c3ccccn3)[nH]c2cc1Br 587089129 KEIMJGFAVMPGSS-UHFFFAOYSA-N 410.262 5.430 0 1 HKAF Cc1cc(Br)c2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc2c1 587132168 LRPXMTGRQJVRBT-IHWYPQMZSA-N 403.148 5.500 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3c(F)cnc(Cl)c3[nH]2)c(Cl)c1 587159847 VVXVNYSKMJFLED-QGZVFWFLSA-N 406.219 5.711 0 1 HKAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(Br)c(C)c4[nH]3)c2)c1 587160839 FFZFZGQUMBRVNY-UHFFFAOYSA-N 411.274 6.116 0 1 HKAF CCOC(=O)Cc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C1CCC1 587361789 ATTLPXVTEJUICB-UHFFFAOYSA-N 415.489 6.030 0 1 HKAF COc1cccc(-c2cc(-c3cc4ccccc4s3)nc3c2oc2ccccc23)c1 587365099 AXWRUEHMVOLWNN-UHFFFAOYSA-N 407.494 7.538 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1C(F)(F)F)[C@@H](C2)C3=O 587423785 ZHHINNFBYNHQSP-CVDCTZTESA-N 410.391 5.405 0 1 HKAF CCCCCS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587532116 MZIDKWQZJSADLW-QHCPKHFHSA-N 412.551 5.236 0 1 HKAF C[C@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540597 PQSYMAXYPLATLR-WIYYLYMNSA-N 411.251 5.032 0 1 HKAF CCCCO/C=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587704945 KDLWUYZDEVFCAO-JTLSFEFOSA-N 410.249 5.210 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(SC(F)F)cc2)N1 587722758 ZQCINDMTVWLVPR-MGNBDDOMSA-N 416.306 5.701 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)cc2N2CCCC2)N1 587726665 KJOBWIIXPBBTPJ-ZSEKCTLFSA-N 421.329 5.125 0 1 HKAF Cc1onc(-c2ccc(F)cc2)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587729066 BSFIMJQMNHXFNI-WVDJIFEKSA-N 419.269 5.314 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3ccc(F)cc3)n2)N1 587736888 VAPOTJJABLDAMC-MLCYQJTMSA-N 421.310 5.474 0 1 HKAF Cc1cc(Br)c2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2c1 587784663 UEKKWBRWICHYPB-FMIVXFBMSA-N 419.322 6.383 0 1 HKAF Cc1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Br 587784942 WJIXITBJTFYSSW-FMIVXFBMSA-N 419.322 6.383 0 1 HKAF Cc1onc(-c2ccccc2)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587794372 MEXMCDNKEOGLPG-BIBXISHDSA-N 401.279 5.175 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(O)cc2)N1 587835965 YVPCAJNZTDFJRM-FPTDNZKUSA-N 412.302 5.120 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 587848425 OKYSKLPLOPLUJG-ZSEKCTLFSA-N 416.359 6.249 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2cccs2)N1 587849880 WUWOPPKQUSIZRL-QKKBWIMNSA-N 416.359 5.670 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2cccs2)N1 587852408 KWABQXUTZJVKPQ-FKIZINRSSA-N 402.332 5.940 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nncc(-c2ccccc2)n1 587860303 QNGXGGZYBNXEBL-UHFFFAOYSA-N 412.280 5.097 0 1 HKAF CC(C)Oc1ccc(OC(C)C)n1C[C@@H](c1cccc(Br)c1)N(C)C 587939260 JJGVJSLCIYGUDP-SFHVURJKSA-N 409.368 5.128 0 1 HKAF Oc1ccc(OCCCc2ccccc2)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 587945233 KSYRYQWCFZILOC-QHCPKHFHSA-N 419.496 6.160 0 1 HKAF C[C@H](CCc1ccccc1)[C@@H]1N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963171769 BYOOMKIASSNCDI-FXHACXQTSA-N 411.851 5.268 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@H]2c1cc(C(F)(F)F)ccc1Br 963259089 RGUDTCOLSKZOTC-INIZCTEOSA-N 420.656 5.365 0 1 HKAF CCSc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2c(OC)ccc(OC)c21 963613121 UBSZJUSQJPLBDP-FKIZINRSSA-N 422.388 5.202 0 1 HKAF Cc1ccc2nc(-c3ccc(F)cc3)c(OCCCOc3ccc(C)nc3C)n2c1 1772608010 YFFUXKQOBAWTOA-UHFFFAOYSA-N 405.473 5.309 0 1 HKAF O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 1772629864 UMQLASXGJFGXFL-IYARVYRRSA-N 415.461 5.008 0 1 HKAF Cc1nccc2c1[nH]c1cc(OCc3cn(C/C=C/c4ccc(F)cc4)nn3)ccc12 1857534314 GEKHCHNZVUCNHK-NSCUHMNNSA-N 413.456 5.048 0 1 HKAF Fc1ccc(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)cc1 1857615057 ODEGEYDLYULOHB-UHFFFAOYSA-N 424.467 5.012 0 1 HKAF COc1ccc2c3c(c(=O)oc2c1)[C@](C)(CCC=C(C)Cc1cc(C)co1)[C@@H](C)O3 2356597143 VQRPFWMTIIMDKU-CRICUBBOSA-N 408.494 5.711 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC=C[C@@H]2CC[C@@H]3C[C@H](O)CC[C@]3(C)C2=CC[C@@H]1C)C(C)C 2356618148 HKYYLANUJNZBFK-AFSYZBMTSA-N 414.718 8.191 0 1 HKAF CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl 4207467 XMJUWLUFBVQBQO-HKUYNNGSSA-N 409.288 5.141 0 1 HKAF COc1cccc(-c2ccc3ncnc(NCCc4c[nH]c5ccc(OC)cc45)c3c2)c1 4265134 PETXLFQWICXLKY-UHFFFAOYSA-N 424.504 5.450 0 1 HKAF aggregator Oc1cc(NC[C@@H]2CCC[C@@H]2NCc2ccc(Cl)c(Cl)c2)nc2ccccc12 13488723 GQAWHFHCJXEXAJ-KXBFYZLASA-N 416.352 5.618 0 1 HKAF O=C1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1 13493983 OXOCBMINRFJHLS-QFIPXVFZSA-N 417.524 5.413 0 1 HKAF COc1ccc(-c2cc([C@H]3[C@@H](c4ccc(Cl)cc4)C[C@@H]4CC[C@H]3N4C)on2)cc1 13532748 MZBDCJWEXVZTQQ-AYEZKCMBSA-N 408.929 5.738 0 1 HKAF COc1ccc(-c2ccoc2)cc1[C@@H]1[C@@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 13830027 WYRUCDCEDBQBNX-UOQJGJCTSA-N 413.517 5.867 0 1 HKAF CCCCCCOc1ccc(-c2coc3cc(OCCCCCC)ccc3c2=O)cc1 13864258 FNSWIAGNWXXPIA-UHFFFAOYSA-N 422.565 7.378 0 1 HKAF CC(C)c1cc2c(cc1O)[C@]1(C)CC[C@H](OC(=O)c3ccccc3)C(C)(C)[C@H]1CC2 14410554 HFAMSEZTLMXOQW-DXBVXKBHSA-N 406.566 6.381 0 1 HKAF biogenic CC(C)=CCC[C@@]1(C)C=Cc2c(O)ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O1 14690566 BVVVHQJFODXUQX-OFVILXPXSA-N 422.477 5.421 0 1 HKAF biogenic C[C@@H]1CN(CCc2ccccc2)CC[C@@H]1N(C(=O)c1ccco1)c1ccccc1F 26741349 HDPMDSHVUZALEU-KNQAVFIVSA-N 406.501 5.019 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(c2ncccc2C(F)(F)F)CC1 28094633 YGKFWQUPYXJAIV-UHFFFAOYSA-N 417.353 5.531 0 1 HKAF CC(C)c1ccc(C[C@H]2COc3cc(-c4cc(F)ccc4C(=O)O)ccc3[C@@H]2O)cc1 29477325 NLTYFLXPOFYGDK-UQBPGWFLSA-N 420.480 5.599 0 1 HKAF CC[C@@H](Cc1ccc(OCCN2CC=C(c3ccc(Cl)cc3)CC2)cc1)C(=O)O 40950458 ZMCMESSSPAZOTD-IBGZPJMESA-N 413.945 5.161 0 1 HKAF Cc1ccccc1-c1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 64549305 FUZKHNSFTYISEL-XMMPIXPASA-N 400.591 5.658 0 1 HKAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc(F)cc2)C1 82140459 HLAFSUXPFQHCSP-CALCHBBNSA-N 410.537 5.145 0 1 HKAF Cc1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)o1 82162502 RLVNJGQCAHTCSF-UHFFFAOYSA-N 424.529 6.448 0 1 HKAF Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccco2)sc1C 82165528 FUNYGCWESFUBLP-FXBSTXGRSA-N 408.571 5.960 0 1 HKAF CCc1cnc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccccc2F)s1 82175929 LWBYKPUUZYFDHP-UHFFFAOYSA-N 422.504 5.762 0 1 HKAF CCN(CC)C(=O)Cc1c(-c2ccc(OC)cc2)nn2c(C(C)C)cc(C(C)C)nc12 95586608 RSGPEJMEBYSPAK-UHFFFAOYSA-N 422.573 5.063 0 1 HKAF CC(C)c1csc(Nc2ncc(Br)cc2OCc2ccccc2)n1 96284837 NZMWQGDXPMBLLS-UHFFFAOYSA-N 404.333 5.747 0 1 HKAF CC(C)=CCc1cc(C(=O)CC(=O)c2ccc3c(c2)C=CC(C)(C)O3)c(O)cc1O 102943573 XTBSNHSJEVANCR-UHFFFAOYSA-N 406.478 5.246 0 1 HKAF biogenic,in-vitro NC(=O)c1c(NC(=O)c2ccc(Oc3ccccc3)cc2)sc2c1CCCCCC2 103242785 JMXUGRHVJBTQPZ-UHFFFAOYSA-N 420.534 5.551 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2cc(F)ccc2F)C[C@@H](c2cccs2)C1 104049868 HNQGGHWJKLMDBA-JCQPUDPBSA-N 408.473 6.655 0 1 HKAF Cc1ccc2occ([C@H]3Nc4ccccc4N=C4CC(C)(C)CC(O)=C43)c(=O)c2c1 104696239 ASTAKAUSIYVPDQ-HSZRJFAPSA-N 400.478 5.973 0 1 HKAF COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3ccc4nc(C)ccc4c32)cc1OC 104698646 WBUDDNIZMSGWOF-QHCPKHFHSA-N 400.478 5.774 0 1 HKAF CCOP(=O)(OCC)N(C)CCCN1c2ccccc2CCc2ccccc21 113330286 GAYLBQLFBYBTTI-UHFFFAOYSA-N 402.475 5.426 0 1 HKAF in-vivo C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1c[nH]c(-c2ccccc2)n1 118921838 JVUNQIZFNNFUQK-ANSFPUBFSA-N 416.609 6.484 0 1 HKAF CCn1c2ccccc2c2cc(NC(=O)CCCC(=O)Nc3ccc(C#N)cc3)ccc21 218438302 UDSBKTLSAYWGIX-UHFFFAOYSA-N 424.504 5.434 0 1 HKAF CN[C@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]4C(C)(C)[C@H](N(C)C)CC[C@]45C[C@]35CC[C@]12C 255263936 RXSFCOUBKQSZFV-CNIFTNMMSA-N 400.695 5.964 0 1 HKAF CC(C)(C)c1cc(=NC(=O)Nc2ccc(-c3cn4c(Cl)cccc4n3)cc2)[nH]o1 473097072 BYAHAUUZDPJGSS-UHFFFAOYSA-N 409.877 5.006 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cccc(C)c3[nH]2)c1C=O 586967577 BCXANGXCLABCCM-UHFFFAOYSA-N 410.930 5.183 0 1 HKAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(F)cnc2[nH]1 587018876 QPGKOAIFBUGHEK-UHFFFAOYSA-N 407.301 5.853 0 1 HKAF CCN1C(=O)C[C@@H](c2nc3ccc(Br)cc3[nH]2)[C@@H]1c1ccccc1Cl 587061108 KCBOMDMEUBRKLC-ACJLOTCBSA-N 418.722 5.056 0 1 HKAF FC(F)(F)Sc1ccc2nc(C(F)(Br)Br)[nH]c2c1 587088958 VBLCBWNPINFQCT-UHFFFAOYSA-N 408.012 5.044 0 1 HKAF Cc1ccc2c3c(c([C@H](C)c4cn(C)c5ccccc45)cnc13)-c1ccccc1C2=O 587098320 QCXFBUVIMVSBIO-KRWDZBQOSA-N 402.497 6.398 0 1 HKAF CCOC(=O)/C(=C\c1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105922 HEAQHMXBYBVSKG-JCMHNJIXSA-N 405.453 5.550 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@@H]2c3nc4cccc5c4c(c3[C@H]2C1)-c1ccccc1C5=O 587106136 LVBCGVVJEVSAGZ-YJBOKZPZSA-N 412.489 5.268 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4cc(C)cc(Br)c4[nH]3)ccc2F)cc1 587139338 HABDNHMXJLLSIQ-UHFFFAOYSA-N 423.285 6.310 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c(F)c1 587145065 SUWBLGCRTDKCLV-UHFFFAOYSA-N 415.346 5.456 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3ccnc(Br)c3[nH]2)c1 587158421 MAQGDHAZOZJSSP-UHFFFAOYSA-N 412.262 5.126 0 1 HKAF Cc1cc(C)c2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2c1 587178749 KGYYMLPVJNWCDI-UHFFFAOYSA-N 416.184 5.470 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCSc3c(F)cccc32)[C@H]1c1ccc(F)cc1 587335693 OMDNUOJURYVRJF-NZQKXSOJSA-N 410.441 5.421 0 1 HKAF COc1cccc(C[C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587348052 GEPZXVYCRVPIIR-RSXGOPAZSA-N 418.464 5.290 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C(=O)C(F)F)CCC3)c1 587360515 PMZNLZMUVWMQPD-KRWDZBQOSA-N 407.416 5.911 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC2(C3)CC(C(=O)O)C2)c1 587365388 GPTHTNFCUSOCJG-UHFFFAOYSA-N 413.473 5.626 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(C)cc4)nc4ccc(C)cn14)[C@@H](C2)C3=O 587436468 ROHGEMFFXHPDDX-SIBVEZHUSA-N 410.473 5.115 0 1 HKAF CCCc1c(O)ccc2c1OC1(CCC(O)(c3cccc(Cl)c3)CC1)CC2=O 587463723 XSNDKYVASHPKKA-UHFFFAOYSA-N 400.902 5.164 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccc(Cl)cc3)s1)CC2=O 587494336 LJXLUADIZKTUAQ-QHCPKHFHSA-N 412.938 6.607 0 1 HKAF Cn1cc([C@@]2(c3cccc(Cl)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C=O 587499271 ICCZDGHIZDDZNL-VWLOTQADSA-N 419.908 5.279 0 1 HKAF CSc1ccc(-c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587532186 LVVGXVAEMCTMIF-RUZDIDTESA-N 400.543 6.661 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccc(F)cc2)cs1 587567448 APGOMZABUXJGOK-UGKGYDQZSA-N 419.433 5.358 0 1 HKAF Cc1ccc(SC(C)(C)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587607440 MTGDLBSVSYOMDK-OFNKIYASSA-N 406.503 5.602 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2C(F)(F)F)N1 587713105 RNEGBMCGBRXYEH-PWJLMRLQSA-N 406.192 5.370 0 1 HKAF CC(C)[C@@]1(CCc2cccc(N)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587747857 SNEQKPILAAXERK-LHSJRXKWSA-N 405.355 5.189 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccco1 587750576 ITZUPXIPVYFGGF-XUSGNXJCSA-N 417.322 5.271 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(Cc3ccccc3)CC2)N1 587763919 APNOGNUVVDHPLC-OPAMFIHVSA-N 417.366 5.004 0 1 HKAF Cc1onc(-c2ccccc2)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587790958 DHAAWXJNMNDLOG-LAJNKCICSA-N 415.306 5.349 0 1 HKAF CCc1ccc2oc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587827856 LUIDTZBWNFVMRL-GTJPDFRWSA-N 402.307 5.695 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccsc2N)N1 587844419 NTZMUZQBOMITDM-MPBGBICISA-N 417.347 5.058 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 587950187 QFFARUCPUMAHFW-FBMGVBCBSA-N 416.480 6.757 0 1 HKAF Cc1cccc([C@]2(CCc3ccccc3)NCCc3ccc(C(=O)N(C)C)cc32)c1C 962928068 GJSBJSSGWCLRGL-NDEPHWFRSA-N 412.577 5.027 0 1 HKAF CO[C@@H]1C=C(O)[C@H]2[C@]1(O)[C@]1(C)CC[C@@]23CC[C@@H]2[C@H](CCC(C)C)CCC[C@@H]2[C@]31C 2356354523 LLAHCSQLIBTNQL-YROBPTMYSA-N 402.619 5.873 0 1 HKAF CC1(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5C(=O)CC[C@@]5(C)CC[C@@]43C)[C@@]2(C)CC[C@H]1O 2356464490 LSUIHIUUMWDFSZ-MKQIUCNVSA-N 400.647 6.402 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)C5=CC[C@@]43C)[C@H]2C1 2356471976 HANKWAXOCUEZTC-JNFXPUJFSA-N 422.697 8.297 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4[C@H](C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356475675 LRELJMKLEOTFPQ-PFBGYKDESA-N 412.702 7.801 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@@H](C)[C@H]1OC(=O)C(C)=CC 2356550506 VFXPFKHNRXPZTI-CUZADMCMSA-N 414.542 5.105 0 1 HKAF CC(=CCn1c[n+](C)c2nncc(N)c21)CC[C@]1(C)C2=CCCC(C)(C)[C@@H]2CC[C@H]1C 2356856852 SEAURGZSHCIKNY-KYTVRQNUSA-N 422.641 5.363 0 1 HKAF CCCCNc1c(-c2ccc(S[C@@H](C)CC)c(OC)c2)nc2ccc(Cl)cn12 61959556 FIOVIMWCCCAKEJ-HNNXBMFYSA-N 418.006 6.766 0 3 HKAF O=C(c1nc(C(F)(F)F)[nH]c1-c1ccccc1)N1CCC(Cc2ccccc2)CC1 72134217 QSPLVISKGDZAEX-UHFFFAOYSA-N 413.443 5.190 0 3 HKAF O=C(Nc1cccc(F)c1)OCCCN1CCC2(CCC(c3ccccc3)CC2)C1 96019334 ZNWCSBAVKVAABH-UHFFFAOYSA-N 410.533 5.814 0 3 HKAF O=C(O)CN1C(=O)c2ccccc2Nc2ccc(OCc3cccc4ccccc34)cc21 592761 QJEJIWLCLJPSNP-UHFFFAOYSA-N 424.456 5.207 0 1 HKAF O=C(NCc1cccc(C(F)(F)F)c1)c1cc2sccc2nc1C(F)(F)F 1495715 PTLLMMYRTMAZCX-UHFFFAOYSA-N 404.335 5.264 0 1 HKAF CN(C)C(=O)c1cccc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)c1 13589522 YYKCSSDXCXHPSN-UHFFFAOYSA-N 422.485 5.110 0 1 HKAF CO[C@@H]1c2c(c3c(c4c(-c5ccccc5)cc(=O)oc24)OC(C)(C)C=C3)O[C@H](C)[C@H]1C 14555314 STOSFQGFUXQJCN-HLFMIMNKSA-N 418.489 5.749 0 1 HKAF biogenic CC1=C(c2ccc(O)cc2)[C@@H](CCCCCCN2CCOCC2)c2ccc(O)cc21 26577626 PIUNGHCOTLTNOX-DEOSSOPVSA-N 407.554 5.408 0 1 HKAF c1ccc(C(c2ccccc2)[C@@H]2CC[C@H]3CN2CCN3c2ccc3ccccc3c2)cc1 28460426 BKGVRURENLJXJR-VMPREFPWSA-N 418.584 6.325 0 1 HKAF FC(F)(CNc1cccc2oc(NCc3cccc(Cl)c3)nc12)c1ccccn1 28526870 VFKUMQKRGBCEKF-UHFFFAOYSA-N 414.843 5.692 0 1 HKAF CC(=O)O[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 28863177 HMMXRBXGPAQIDO-CAOORNBYSA-N 403.566 5.524 0 1 HKAF O=C(O)CCCn1nc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1=O 29204413 DWAQZQDUDCHDEF-UHFFFAOYSA-N 410.473 5.109 0 1 HKAF Cc1cc(C)c2c(c1C)O[C@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)CC2 45357865 ZQJBTZSSRCFVQZ-RLPNJSHFSA-N 414.718 9.135 0 1 HKAF Cc1cc[n+](CCCc2ccc(-c3ccc(CCC[n+]4ccc(C)cc4)cc3)cc2)cc1 45367963 ZDPIBNFJAXJMLP-UHFFFAOYSA-N 422.616 5.811 0 1 HKAF Cc1cccc([C@@](O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c1 49071932 OAMPPCVFRKPEBQ-OAQYLSRUSA-N 400.375 5.271 0 1 HKAF Fc1ccc([C@H]2CC(c3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)=NO2)cc1 66073673 CZPFMEACJSZOJG-HSZRJFAPSA-N 424.397 6.654 0 1 HKAF Cn1c(-c2ccc(C(=O)NC(C)(C)C)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1 71317458 KBPXVIBNWBHKIX-UHFFFAOYSA-N 422.960 5.134 0 1 HKAF CCOc1ccc(Sc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1 73407403 CZXGUTIKKNYZTB-UHFFFAOYSA-N 422.937 5.648 0 1 HKAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NC3CCCC3)nc2-c2cccc(C)c2)C1 82145525 MPTYFMRATZYCFG-MOPGFXCFSA-N 406.574 5.457 0 1 HKAF O=C(c1cc2ccccc2[nH]1)c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1 82155407 RJZRAQCJBYKZLL-UHFFFAOYSA-N 422.872 5.940 0 1 HKAF O=C1Nc2c(Br)cccc2/C1=C(/c1ccccc1)c1nc2ccccc2[nH]1 84687649 UBWOYAHTNNNZIM-VHEBQXMUSA-N 416.278 5.237 0 1 HKAF C[C@@H](c1ccccc1)[C@H](O)/C=C/[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCC(C)(C)C(=O)O 100801911 IXLKYYJMNDNNKA-QUFCADOMSA-N 412.570 5.338 0 1 HKAF CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(C)o2)C2=C(O)CCCC2=N1 104005606 RGCNSOSPGQXZNH-HSZRJFAPSA-N 407.466 5.018 0 1 HKAF COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCCC2)ccc1O 104033179 ALRZTUWEDIFMAH-QFIPXVFZSA-N 411.498 5.085 0 1 HKAF CC(C)N1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1(C)C 137120280 FDUMSXVQMHLSOY-GGAORHGYSA-N 400.969 5.860 0 1 HKAF Cc1ccc(Cl)c(-c2c3c(nn2C)CCc2cnc(Nc4ccccc4)nc2-3)c1 143041841 BWJRQWWYWBFTKG-UHFFFAOYSA-N 401.901 5.348 0 1 HKAF CCCCC1([C@H](O)/C=C/[C@@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OCC)CCC1 169321150 DWOHKCABYJQWOX-LORPMLANSA-N 406.607 5.763 0 1 HKAF Clc1ccc(OCc2ccccc2)nc1-c1ccnc2[nH]c(C3CCNCC3)cc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n1c(Cc2ccc(Cl)c(Cl)c2)nc2cc(C(F)(F)F)ccc21 299830280 MHNJPEVGTJNARB-UHFFFAOYSA-N 403.231 5.599 0 1 HKAF Clc1cccc([C@@H](c2ccc(OCCN3CCOCC3)cc2)c2cccs2)c1 299859054 HJNJXAFDVAWDKQ-HSZRJFAPSA-N 413.970 5.293 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2c1 586894961 HXJJCBFYMXXCRT-UHFFFAOYSA-N 404.469 5.620 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc4c(c3)OC(F)(F)O4)nc3ccc(O)c1c23 586987435 WFGXBHJJHORZJM-UHFFFAOYSA-N 403.340 5.140 0 1 HKAF Cc1ccc2c3c(cc(CC(=O)Nc4cccc(Cl)c4)nc13)-c1ccccc1C2=O 586994303 XRBMAJUGVCAGPF-UHFFFAOYSA-N 412.876 5.589 0 1 HKAF Clc1ccnc2[nH]c(-c3ccccc3OCc3ccc(Br)cc3)nc12 586998284 HQXRQMJHINXXRB-UHFFFAOYSA-N 414.690 5.620 0 1 HKAF Clc1cncc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c12 586998340 JRBVVHCFUWNGFS-UHFFFAOYSA-N 414.690 5.620 0 1 HKAF Brc1ccc(-c2ccc(/C=C\c3nc4cc5cn[nH]c5cc4[nH]3)o2)cc1 586998886 RLQVKJACZJKWNC-VURMDHGXSA-N 405.255 5.632 0 1 HKAF Nc1c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)sc2cc(Br)ccc12 587030807 ILZHXNGOEXBXEC-UHFFFAOYSA-N 414.115 5.491 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(C(F)(F)F)cccc4[nH]3)c21 587031411 RNRPLYNIZGNLEQ-LBPRGKRZSA-N 401.457 6.541 0 1 HKAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(C)c(F)cc3[nH]2)c1 587048240 HIDBRKCPCAPWSC-FPLPWBNLSA-N 414.868 5.054 0 1 HKAF CN(C)C(=O)c1ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2c1 587072631 ZXGIQZHRWIIOTJ-UHFFFAOYSA-N 411.292 5.301 0 1 HKAF Cc1cc(=O)oc2c(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c(O)ccc12 587103432 XAKQJCFNFGZJNP-UHFFFAOYSA-N 419.436 5.542 0 1 HKAF Fc1cc2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc2cc1-n1cccn1 587125479 RCXHKALPKYOFNS-DAXSKMNVSA-N 404.392 5.670 0 1 HKAF COc1cc(-c2nc3cc4ccccc4cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144120 QCUUTFYRIFOENL-UHFFFAOYSA-N 412.420 5.896 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 587195394 GHBXIJIIBRZRIL-UHFFFAOYSA-N 407.848 5.841 0 1 HKAF Cc1cc(Br)c2[nH]c(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2c1 587203304 FCUMCNQHSMVXRQ-AWEZNQCLSA-N 410.356 5.116 0 1 HKAF CC(=O)[C@H](SCc1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208599 CFYPBIUSBQVFKW-SANMLTNESA-N 409.510 6.010 0 1 HKAF Cc1ccc(NC2(c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)CCCC2)cc1 587237845 ZTLRGXTZODYRDK-UHFFFAOYSA-N 410.390 5.802 0 1 HKAF C[C@@]1(Cc2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344029 FFHKVMFUXUAQCP-ZCYQVOJMSA-N 401.437 5.373 0 1 HKAF COc1cccc(-c2c(C)c(C(C)(C)c3ccccc3)nc3c2oc2ccccc23)c1 587366596 WTUIJAGFBMRNNU-UHFFFAOYSA-N 407.513 7.291 0 1 HKAF COCOc1ccccc1[C@@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 587378737 PKQDABFVYXUGRB-DEOSSOPVSA-N 423.896 5.122 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](COc1ccc(C=O)cc1)(c1ccccc1)CC2=O 587477601 DEFBQKHKEUPQCY-SANMLTNESA-N 416.473 5.097 0 1 HKAF CCCCCCC(=O)Oc1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587477754 ISTIRMFCIRQLLC-QHCPKHFHSA-N 410.510 5.927 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(-c3ccccc3)nn3ccccc13)CC2=O 587483500 MOMVNHJHSSTZPI-AREMUKBSSA-N 412.489 5.540 0 1 HKAF O=C1C[C@@](c2ccc(Br)cc2F)(C2CC2)Oc2c1ccc1c2CCCC1 587504234 HXLKMXLYTXCGRQ-QFIPXVFZSA-N 415.302 5.738 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1[nH]c3ccc(F)cc3c12 587566706 ADTDEBGFEZCCJN-WIOPSUGQSA-N 415.420 5.206 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2ccc(F)cc2)n1 587569387 ILLDQDDGQPQUQM-DHLKQENFSA-N 413.404 5.296 0 1 HKAF CC(C)Oc1ccc(CC[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587593386 IZYGXHPZRCBKEW-JTHBVZDNSA-N 404.462 5.142 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccc(-c2ccccc2)cc1 587603921 SIXRSOJUTFICAH-AOYPEHQESA-N 422.480 6.022 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CC1CCOCC1)c1ccccc1 587611538 SPJSLNGZPLFEIR-BVAGGSTKSA-N 416.473 5.066 0 1 HKAF Cc1cc(Cl)cc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)nc12 587692162 AFQOVANSMGREJF-GIPWTMENSA-N 419.725 5.722 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1 587702131 VMBLGOGEGZVUBD-PRWKNARSSA-N 420.709 6.125 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccccc3nc2Cl)N1 587703754 HFTIBUFYZYTYPL-MLCYQJTMSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(C(F)(F)F)c2)N1 587714096 UQQAYRUSDVUBII-PWJLMRLQSA-N 406.192 5.370 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cccc2OC(F)F)N1 587718921 PCMVVABJVGKRFL-PWJLMRLQSA-N 420.656 5.467 0 1 HKAF CC(C)=C1NCCc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc21 587792319 IHFFFZSPWSCOCY-DMZKTXOQSA-N 415.350 5.108 0 1 HKAF CCOc1cc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)C 587801130 ITTLORQWNPXQCM-RCDICMHDSA-N 420.366 6.042 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC2CCOCC2)(c2ccccc2)N1 587834032 JTSHWYYITLPUJK-OYHNWAKOSA-N 418.350 5.183 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCCC3)Oc3ccccc32)N1 587837768 KZZIHIXLCABKOQ-JLCFBVMHSA-N 416.334 5.461 0 1 HKAF CCCCOc1cc2nc(Cc3ccc(OC)c(OC)c3)[nH]c2cc1Br 587928141 WVWZCJKFUGJXPJ-UHFFFAOYSA-N 419.319 5.112 0 1 HKAF COc1ccccc1-c1ccc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)cc1 587933490 YRTODUCBOKTDHT-UHFFFAOYSA-N 418.802 6.458 0 1 HKAF Fc1c(Br)cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1F 587949196 ASSGTNMZDILPLY-UHFFFAOYSA-N 415.237 5.987 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(F)cc2[nH]1 587963081 ZSHZOZYTDURAPG-WWMAXSSBSA-N 420.616 8.556 0 1 HKAF COc1cc(Cn2c(-c3ccc(O)cc3)c(C)c3cc(O)ccc32)cc(OC)c1OC 653912143 HHGZDCCXCKZBIA-UHFFFAOYSA-N 419.477 5.102 0 1 HKAF CC[C@H](C)[C@]1(c2ccccc2OC)NC2(CC2)Cc2ccc(Br)cc21 961613761 HSSVPMQPBMXMMG-OYHNWAKOSA-N 400.360 5.426 0 1 HKAF COc1ccc2c(c1OC)[C@H](c1ccn(-c3c(C)cc(C)cc3C)c1)N(C)[C@H](C)C2 962638287 PGMDBLFWNHDLFT-CLOONOSVSA-N 404.554 5.386 0 1 HKAF Cc1ccc(C)c(CC[C@]2(c3cccc(F)c3)c3ccc(F)cc3C[C@@H]3CCCN32)c1 963096299 MYAFMLUGAKXZEL-XCZPVHLTSA-N 417.543 6.479 0 1 HKAF c1ccc(COc2ccc(CCN=c3c4c([nH]c5ccccc35)CCCC4)cc2)cc1 1857569233 AWWFDKCWBXMZRF-UHFFFAOYSA-N 408.545 5.769 0 1 HKAF O[C@H]1CN(CC[C@H](F)Cc2ccccc2)CCc2cc(OCc3ccccc3)ccc21 1857611492 JWHMTILOEMGBNO-IGKIAQTJSA-N 419.540 5.128 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3c(OC)c(Cl)c(OC)c(Cl)c3O2)cc1Cl 2356284091 NOFLAMAMSCCPHR-LBPRGKRZSA-N 417.672 5.379 0 1 HKAF CC(=O)OC[C@H](O)COC(=O)C[C@H](C)CC[C@]1(C)C2=CCCC(C)(C)[C@H]2CC[C@@H]1C 2356671433 ZDOKOBAWCCHHEY-NHHJNBEHSA-N 422.606 5.059 0 1 HKAF O=C(CN1[CH]C=Cc2c1ccc1ccccc21)c1ccc(I)cc1 2356870055 VJMKHAKIBLXFLO-UHFFFAOYSA-N 424.261 5.322 0 1 HKAF CC(=CCn1c[n+](C)c2ncnc(N)c21)CC[C@@]1(C)[C@@H]2CCC=C(C)[C@@]2(C)CC[C@H]1C 2356871633 YCSGSEAQYPDNAQ-WSAILGMDSA-N 422.641 5.363 0 1 HKAF CCOc1ccccc1-c1nc2c(s1)CCc1onc(-c3ccc(OC)cc3)c1-2 12477364 ZQKCADBQWUDKAU-UHFFFAOYSA-N 404.491 5.638 0 3 HKAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 4080310 GVPRHKGCFZTESR-DQEYMECFSA-N 421.585 5.343 0 1 HKAF C[C@@H]1CC/C(=C\c2ccc(F)cc2)C2=C1[C@H](c1ccc(F)cc1)N1C(=O)CSC1=N2 5844578 XXQCGJLVUBZNPV-NJGTYAIQSA-N 422.500 5.719 0 1 HKAF C[S@](=O)c1ccc(CSc2nc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1 12365491 IETZEUGQJUBHSE-MUUNZHRXSA-N 405.548 5.168 0 1 HKAF COc1cc2c(cc1OC)CN(CC[C@H](Oc1ccccc1F)c1ccccc1)CC2 13530637 RZTIEZPCWCTIEF-QHCPKHFHSA-N 421.512 5.411 0 1 HKAF O=C1NCc2nc(Sc3ccccc3)ccc2N1c1c(Cl)cccc1Cl 13587244 WUNOECMNATXFRY-UHFFFAOYSA-N 402.306 5.901 0 1 HKAF O=C(O)CCCCCCc1sc(-c2ccccc2)cc1CCCc1ccccc1 13726634 QBLCUCHXZZLQRO-UHFFFAOYSA-N 406.591 7.168 0 1 HKAF CC(=O)c1cc(C)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1 13740874 WVTCHDNRUWZFHP-UHFFFAOYSA-N 410.489 5.126 0 1 HKAF COc1ccc([C@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1 13741235 UOWVHDKXSQIRDC-MHZLTWQESA-N 421.540 5.927 0 1 HKAF CCN(CC)C(=O)c1ccc(C(=C2CCN(c3ccccc3)CC2)c2ccccc2)cc1 13814381 TZZSVBXJFGPKDB-UHFFFAOYSA-N 424.588 6.271 0 1 HKAF CC1(C)C=Cc2cc(-c3coc4c5c(cc(O)c4c3=O)OC(C)(C)C=C5)ccc2O1 14825203 ACNNVOPYPNMOSB-UHFFFAOYSA-N 402.446 5.534 0 1 HKAF biogenic CC[C@H]1C=C2NC(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]3[C@H]12 27213545 YBSFMQHCAIWRPP-GLKSEOFFSA-N 413.690 7.348 0 1 HKAF COc1ccccc1N1CCN(Cc2cccn2-c2ccc(Cl)cc2Cl)CC1 28114271 ABNRNBMAYQODNS-UHFFFAOYSA-N 416.352 5.115 0 1 HKAF C[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)(C)O 34332545 VTJZYXUUWSKREG-WEBRBZGQSA-N 416.690 6.750 0 1 HKAF O=C(O)c1cccc(-c2ccncc2-c2cc(Cl)ccc2OCc2ccccc2)c1 34576395 WSTSJUHYFOKDQM-UHFFFAOYSA-N 415.876 6.346 0 1 HKAF Cc1[nH]c2ccccc2c1C1=CCN(CCCC[C@]2(C)C(=O)Nc3ccccc32)CC1 45302473 UMQRGWGTRZAPIR-MHZLTWQESA-N 413.565 5.646 0 1 HKAF C[C@H](CN(C)C)C(=O)Nc1cccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)c1 45302480 YXBZTSPLRKSVAJ-MRXNPFEDSA-N 416.500 5.172 0 1 HKAF C[C@]1(c2ccccc2)CCCN(C(=O)NCc2ccc(-c3ccc4[nH]ccc4c3)cc2)C1 48998915 HIQKQNMARNQIET-NDEPHWFRSA-N 423.560 6.098 0 1 HKAF CCn1ncc(-c2ccnc3[nH]ccc23)c1-c1ccc(NC(=O)Nc2ccccc2)cc1 49125307 JIJDOMRYZXJLMB-UHFFFAOYSA-N 422.492 5.757 0 1 HKAF CC[C@@H](C)Nc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccccc2F)n1 82175949 RIXLLXJYXBXTHH-OAHLLOKOSA-N 402.473 6.124 0 1 HKAF Fc1ccc(-c2nn(-c3ccccc3)cc2C2=NN[C@H](c3ccc(Cl)cc3)C2)cc1 84757592 YESOBPZQZHEIHN-QFIPXVFZSA-N 416.887 5.771 0 1 HKAF Cc1c2c(cc[n+]1CCC(C)C)c1ccc(OCCC(C)C)cc1n2CCC(C)C 95552543 WWKURMUWXIILLT-UHFFFAOYSA-N 409.638 6.908 0 1 HKAF Oc1ccc(/C=C/C[C@H]2C[C@@H]([C@@H](O)c3ccccc3)CO[C@@H]2c2ccccc2)cc1 96921345 WXZAOZJUBDXSSQ-FNHDHFIBSA-N 400.518 5.923 0 1 HKAF Cc1ncc(CNc2ccc(F)c(F)c2)n1Cc1ccc(-c2ccccc2)cc1N 96940295 QAHJGVPQBDVFBI-UHFFFAOYSA-N 404.464 5.379 0 1 HKAF Fc1ccc([C@H]2CN3CCC[C@H]3c3cc(OCCCN4CCCCC4)ccc32)cc1 140453909 YLNCHDUZZUUTSH-FTJBHMTQSA-N 408.561 5.363 0 1 HKAF O=C(O)c1ccc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cc1Cl 143343738 OVYFBOGJAJEUNV-FQEVSTJZSA-N 404.771 5.484 0 1 HKAF O=C(O)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2)c1-c1cccc(Cl)c1 147832331 WAUQGZPPSFMSTO-UHFFFAOYSA-N 409.272 6.211 0 1 HKAF C=Cc1c(C)nc(Nc2ccc3nc(C)sc3c2)n(Cc2ccc(Cl)cc2)c1=O 204098365 UENJOPXGRSZDGL-UHFFFAOYSA-N 422.941 5.558 0 1 HKAF Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c(F)c1 204533249 HLRCLDCEJSPCMJ-UHFFFAOYSA-N 406.413 5.090 0 1 HKAF COc1ccc(/C=C2/OC(=O)C(Cc3cc(Cl)c4c(c3)OCO4)=C2C(C)C)cc1 238779846 GNRHIDBFAWGJDI-VXLYETTFSA-N 412.869 5.170 0 1 HKAF COc1ccc(CCNCCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1 299829704 HWHDWKPTRKLTOB-UHFFFAOYSA-N 416.540 5.933 0 1 HKAF CC(C)c1ccccc1NC(=O)Nc1cccc(-c2cccc(N3CCCC3)n2)c1 299833123 HRCYLFULZXRXQY-UHFFFAOYSA-N 400.526 6.116 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1c(Cl)cc(Cl)cc1C3 586987082 ZIZAKNFIZJNSDC-UHFFFAOYSA-N 404.252 6.030 0 1 HKAF Nc1ccc(N2CCCCC2)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988643 ULXMWQRKQHLNEA-UHFFFAOYSA-N 421.500 5.391 0 1 HKAF Cc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1Cl 587016745 CQBPLWGHRCCVOB-UHFFFAOYSA-N 424.776 6.063 0 1 HKAF Cc1cc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1F 587031177 LZVKNANYFNHQDD-URXIRXLPSA-N 402.520 5.137 0 1 HKAF O=C(O)c1cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2cc1F 587048438 VTWVSNLCKRYUAN-UHFFFAOYSA-N 401.224 6.041 0 1 HKAF Cc1cnc(Cl)c2[nH]c([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc12 587068444 ADWJHYBNXSVZLU-QEUUCGIYSA-N 406.744 6.593 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccnc(Cl)c2[nH]1 587086437 KELWNHJDBLSSFQ-SREVYHEPSA-N 418.715 5.642 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(N5CCOC5=O)cc4)nc13)-c1ccccc1C2=O 587096023 BMXOFZRRSIGODW-UHFFFAOYSA-N 406.441 5.378 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(Br)c(F)cc1C3 587105002 ZACAQFQIEZUXBW-UHFFFAOYSA-N 416.249 5.919 0 1 HKAF COc1ccc2[nH]c3c(c2c1)-c1nc2cccc4c2c(c1CC3)-c1ccccc1C4=O 587105749 HFWYFQXFORJUSU-UHFFFAOYSA-N 402.453 5.702 0 1 HKAF Cc1cc(F)c2[nH]c(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)nc2c1 587121615 HLFJDAOCRQLGEX-UHFFFAOYSA-N 407.392 6.008 0 1 HKAF COc1cccc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c12 587121660 JOYHXSVVJNYCGE-UHFFFAOYSA-N 405.401 5.569 0 1 HKAF Cc1c(Br)cc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2c1C 587133594 VHJSYVWBUSARPC-UHFFFAOYSA-N 416.077 5.619 0 1 HKAF O=C(Nc1cccc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1)c1ccc(F)cc1 587161990 AMDJBWJBDIALEJ-UHFFFAOYSA-N 401.228 5.323 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 587196425 VLCFJSDNMCVPPE-UHFFFAOYSA-N 409.486 5.071 0 1 HKAF O=C(O)c1ccc(-c2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)o1 587207982 ZSNKZUJNIPOBKV-UHFFFAOYSA-N 417.420 6.071 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(cccc2OC)CC3)c1 587362589 KIQWODIGUKATHI-UHFFFAOYSA-N 407.469 6.431 0 1 HKAF COc1cccc(-c2cc(-c3c[nH]cc3-c3ccccc3)nc3c2oc2ccccc23)c1 587362861 MCQFYNZPGYLLAG-UHFFFAOYSA-N 416.480 7.319 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCCCc4ccccc4)c1)[C@@H](C2)C3=O 587440937 IPSICHMOZRORAE-NVQXNPDNSA-N 400.474 5.196 0 1 HKAF COc1cc2c3c(c1)O[C@]1(c4ccccc4Sc4c(C(C)C)cccc41)[C@@H](C2)C3=O 587451851 LAPGCMHXPRLRJU-FNZWTVRRSA-N 414.526 5.974 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1ccc(Cl)c(F)c1)CC2=O 587466039 JFGOIRVKYVTSBI-HSZRJFAPSA-N 410.872 6.511 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCc3c1cnn3-c1cccc(C)c1C)CC2=O 587474043 CIUNMSUXIDTEFQ-AREMUKBSSA-N 416.521 5.344 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](C(=O)OCC)C(C)C)CC2=O 587476724 AKURNRKMWLEQNE-DHLKQENFSA-N 410.510 5.041 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(Oc3ccccc3)cc1)CC2=O 587476770 FWEYANDYIQICCL-SANMLTNESA-N 402.490 6.408 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC(=O)c3cccs3)c1)CC2=O 587492847 CWERGADGVSYGAC-HXUWFJFHSA-N 408.475 5.332 0 1 HKAF CN(C)/C=C/[C@]1(c2ccc(OC(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587508183 STSLFHLFQDBONW-XIQMRYHBSA-N 413.464 5.103 0 1 HKAF C[C@]1(c2cccc(Cl)c2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545787 PMCDOYZPMOYHKQ-DYESRHJHSA-N 401.245 5.576 0 1 HKAF CCN(CC)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587556238 WLQVFLCMBAEEIJ-ZJSXRUAMSA-N 407.441 5.080 0 1 HKAF Cc1c(F)cccc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587559420 XHNMGJDEFGDVFW-WIOPSUGQSA-N 416.404 5.803 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2F)o1 587568069 KQSHGBYSXGANJD-ZJSXRUAMSA-N 402.377 5.494 0 1 HKAF Cc1cc(Cl)cc2c(CCC3OCC(C)(C)CO3)c(-c3ccccc3F)[nH]c12 587624842 VGJSVEXUDCNGJK-UHFFFAOYSA-N 401.909 6.268 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(Cl)ccc3Cl)c(C(=O)C(=O)OC)c2c1 587642932 WZLDUGDYNCFVCD-LLVKDONJSA-N 404.293 6.011 0 1 HKAF O=C(c1ccc(-c2ccccc2)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661244 VGRMWOSVKBBLIK-UHFFFAOYSA-N 420.443 5.558 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCNc3cc(Cl)ccc32)N1 587698522 OOLHVKAXNACUFR-NSPYISDASA-N 409.730 5.225 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)cc(C(F)(F)F)c2)N1 587711333 KAABFXHGVQFKRQ-XYZCENFISA-N 420.219 5.544 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1C(F)(F)F 587714669 WNOTYEGTAWLLDR-BMLIUANNSA-N 402.229 5.539 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SC(F)(F)F)cc2)N1 587722991 UPCBBQPVQMBENP-XXFAHNHDSA-N 420.269 5.824 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(F)cc2Cl)N1 587726798 KVHWQLAMPNCRIJ-XTZNXHDOSA-N 400.694 5.373 0 1 HKAF COc1ccccc1-n1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587754461 MCIUKWHZPCULBF-YEJXKQKISA-N 415.306 5.011 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sccc2Oc2ccccc2)N1 587844428 NVBPSNGPQHZQNP-CWTRNNRKSA-N 418.331 6.066 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccccn3)o2)N1 587845461 REHDOOMLLXDKFG-NSPYISDASA-N 419.319 5.351 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C3CCCCC3)s2)N1 587849151 QTYZNHCNCWIMOL-FKIZINRSSA-N 408.380 6.321 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3sc4ccccc4c32)N1 587859485 XELNZIRLFBQDGG-GIPWTMENSA-N 402.332 5.527 0 1 HKAF COc1ccc2cc([C@@H](C)c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)ccc2c1 587935794 VQHKZZOIYPSXDY-OAHLLOKOSA-N 408.505 5.708 0 1 HKAF Fc1cc(Br)cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587951121 WPZHXOMJQLKNEO-ZHACJKMWSA-N 409.258 6.427 0 1 HKAF Cc1ccccc1C(C)(C)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587955915 WOBBCAVXDQVVLW-UHFFFAOYSA-N 415.375 6.385 0 1 HKAF Cc1cnc2[nH]c(CCCCCCCCCCCCCCCCCC(C)C)nc2c1 587956899 FKVPETGIXIQCPH-UHFFFAOYSA-N 413.694 8.706 0 1 HKAF CC[C@H](Cc1ccc(C(=O)NCc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O 653805847 UBDKILMGVHORMH-HXUWFJFHSA-N 403.478 5.062 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)c(C)c1[C@H]1c2ccsc2CCN1Cc1ccco1 962713077 SMDNDAAQLJCKGA-HSZRJFAPSA-N 423.969 5.945 0 1 HKAF COc1ccc2c(c1)[C@](c1ccccc1CN1CCCC1)(C1CCCC1)N[C@@H]1CC[C@H]21 962999666 ZBOONDASFIAYMY-RYRVMRHHSA-N 416.609 5.574 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CCC[C@H]1c1ccc(Cl)c(Cl)c1 963610393 OZFHIKCWTKNVGX-ODIUBACGSA-N 406.353 5.708 0 1 HKAF O=C1[C@@H]2C=CC=C[C@H]2[C@@H](c2ccc(-c3ccccc3)cc2)N1c1ccc2nc[nH]c2c1 1772592511 VILUZFCZUPTEBL-JQYIIUTOSA-N 403.485 5.676 0 1 HKAF CCc1cccc(NC(=O)Nc2csc(-c3cc4ccccc4n3C(=N)O)c2)c1 1772611778 YDTJZVVELNGMQL-UHFFFAOYSA-N 404.495 5.917 0 1 HKAF Oc1c(Br)cc(Br)c2ccc(CNc3ccccc3)nc12 1857745713 VOMGWJXQRBUDDZ-UHFFFAOYSA-N 408.093 5.078 0 1 HKAF O=C(O)C[C@@H]1COc2cc(OCCCOc3ccc(-c4ccccc4)cc3)ccc21 1857765199 AQCAZJIZBLVBHO-HXUWFJFHSA-N 404.462 5.152 0 1 HKAF CC=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356382499 CQSRUKJFZKVYCY-SPTWOZHASA-N 414.718 8.025 0 1 HKAF CC(=CCCC(=CC(=O)O)C(=O)O)CCC=C(C)CCC1=C(C)CCCC1(C)C 2356385658 UJEAOVLENYNVEU-UHFFFAOYSA-N 402.575 6.842 0 1 HKAF CC(C)=CCCC(C)=CC[C@@]12CCN(C)[C@@H]1Nc1c(Br)ccc(O)c12 2356461900 YFSNZRUSLZKXIV-SFTDATJTSA-N 405.380 5.562 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@]12C 2356556450 AYXDXVGGAIDTQI-AFKQDPQISA-N 402.663 6.792 0 1 HKAF CC(C)=CCc1c(O)c(C=CC(C)C)c(O)c2c1O[C@H](c1ccc(O)cc1O)CC2=O 2356636147 XCIRMVJXNNMDAI-NRFANRHFSA-N 424.493 5.393 0 1 HKAF Cc1ccccc1C(=O)Nc1ccc(O)c2c(=O)cc(-c3ccccc3Cl)oc12 12468788 CKSLLWHFRQAKNB-UHFFFAOYSA-N 405.837 5.380 0 3 HKAF O=C(c1ccncc1)N1CCC2(CC1)CCN(c1cccc(-c3ccccc3)c1)CC2 3956088 RVNIUCRTBTYTAO-UHFFFAOYSA-N 411.549 5.271 0 1 HKAF Cc1ccc(Nc2nc(=O)c3c4ccccc4n(C(=O)OC(C)(C)C)c3s2)cc1 5930934 JRBDEDSKKMNOMV-UHFFFAOYSA-N 407.495 5.446 0 1 HKAF CCOC(=O)Cc1nc(-c2ccc(Br)cc2)oc1-c1ccc(F)cc1 27081928 HSVVTAIFTDAFLR-UHFFFAOYSA-N 404.235 5.016 0 1 HKAF CCOc1ccc(/C=C/c2sc(Nc3ccccc3)n[n+]2-c2ccccc2)cc1 28712435 XOSOHOOLQIQBQN-OBGWFSINSA-N 400.527 5.733 0 1 HKAF COc1cc(O)cc(O)c1C(=O)[C@@H]1[C@H](CC=C(C)C)C(C)=CC[C@H]1c1ccccc1 28964735 DIHCGASLQARQMP-ZFGGDYGUSA-N 406.522 6.012 0 1 HKAF biogenic COC(=O)c1ccc(NCc2cncn2Cc2ccc(C)cc2)cc1-c1ccccc1 40410691 DXPKCZQNEBDEBD-UHFFFAOYSA-N 411.505 5.306 0 1 HKAF CN1[C@H]2CC[C@@H]1[C@H](C=C(Br)Br)[C@@H](c1ccc(Cl)cc1)C2 40972598 KNYSPQPHDQPIRR-GBJTYRQASA-N 419.588 5.538 0 1 HKAF COc1ccc([C@](c2ccccc2)(c2cccc(OC)c2)n2nnc3ccccc32)cc1 43021415 PSTJXZSMRNLUPJ-HHHXNRCGSA-N 421.500 5.289 0 1 HKAF Clc1ccc(-c2cc(CNC3CCCC3)nn2-c2ccc(Cl)cc2Cl)cc1 43064964 GGVCYYQZZRTFSO-UHFFFAOYSA-N 420.771 6.532 0 1 HKAF O=C(Nc1cccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)c1)c1csnn1 45322050 KECSFJDIPUAEAO-UHFFFAOYSA-N 415.453 5.140 0 1 HKAF COc1ccc2c(c1)[C@]1(OCCC=C[C@H]1C)C(=O)N2Cc1ccccc1C(F)(F)F 66123132 YJZPZMMJNUCTRB-QRQCRPRQSA-N 417.427 5.069 0 1 HKAF Cc1oc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccco2)nc1-c1ccccc1 82165396 LHBWQFGUNZPENH-OXQOHEQNSA-N 414.509 6.358 0 1 HKAF COc1ccc([C@]2(c3cc(C(C)(C)C)ccc3O)C(=O)Nc3c2ccc(F)c3F)cc1 96937512 YLFTWMNAJHQTJY-VWLOTQADSA-N 423.459 5.263 0 1 HKAF c1ccc(CN[C@H]2C3[C@H]4CCC[C@H]3CN(C4)[C@H]2C(c2ccccc2)c2ccccc2)cc1 101621010 FYFPUCQHJNRILA-ATACATFBSA-N 422.616 5.707 0 1 HKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(OCc2ccccc2C(F)(F)F)nn1 103169641 LRNXLTKWKTUXGC-UHFFFAOYSA-N 412.333 6.069 0 1 HKAF O=C(O)c1cccc2c1oc1c(C(=O)O)ccc(Oc3cc(Cl)cc(Cl)c3)c12 136530553 ACLCOZGBIMNSBI-UHFFFAOYSA-N 417.200 6.082 0 1 HKAF CCC(=O)C(CCCCCCOc1ccc(Br)cc1Cl)C(=O)CC 138196157 HOHCGUBZRLNIRU-UHFFFAOYSA-N 417.771 6.006 0 1 HKAF CC(C)[C@H](C)[C@H](C)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 139400391 KTGGCSVZUGUIFS-KTOKKULHSA-N 416.734 7.961 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2ccncc2)c1 167329499 URZVYLCWCFRJGT-NRFANRHFSA-N 402.494 5.020 0 1 HKAF C[C@@H](c1ccc(-c2c(O)c(F)c(F)c3[nH]c(=O)c4sccc4c23)cc1)N(C)C 204651738 CXVVURJCTROACN-JTQLQIEISA-N 400.450 5.016 0 1 HKAF Cc1cccc(C(C)(C)C)c1NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21 207690343 GHXIRGBFVUUTMN-UHFFFAOYSA-N 411.549 5.872 0 1 HKAF CC1(C)CCC[C@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C 238739016 QDUDLLAGYKHBNK-XOEGDGRGSA-N 412.746 9.278 0 1 HKAF C[C@H]1CC[C@]2(C)[C@@H](C)CCC(=O)[C@@]23CC[C@H]2[C@@H](c4c[nH]c5cccc(c45)C2(C)C)[C@@H]13 238765129 FDTRWEJDZJUQIO-KNAQAKRXSA-N 403.610 6.991 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC=C2c1ccnn1-c1ccccc1 253852586 MEYBRQJIPYRMAI-SKWSRTDQSA-N 414.593 6.189 0 1 HKAF COc1cc2nc(C)c(-c3ccc(COc4ccccc4)cc3)c(O)c2cc1Cl 299822916 QGFNYRZZKUKCMD-UHFFFAOYSA-N 405.881 6.157 0 1 HKAF COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(C[C@H]2CCCC[C@@H]2C)CC1 299857919 FSZQXBYUVRKUIV-FUHWJXTLSA-N 406.998 5.432 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(OC)c(C(=O)OC)ccc4[nH]3)cc2)CC1 586879134 FGRULFCDGRQXGR-IYARVYRRSA-N 420.553 6.489 0 1 HKAF CCCCC1CCC(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CC1 586889018 KSJLNLHZVTUBGU-UHFFFAOYSA-N 419.285 6.688 0 1 HKAF Cc1ccc2c3c(cc(Cc4ccccc4C(F)(F)F)nc13)-c1ccccc1C2=O 586991961 BSAUGLUGZSSEST-UHFFFAOYSA-N 403.403 6.364 0 1 HKAF FC(F)(F)c1cc2nc(-c3csc4c3CCOC4)[nH]c2cc1Br 587031889 NDCHBJAUUXJEPA-UHFFFAOYSA-N 403.223 5.145 0 1 HKAF COc1cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2cc1Cl 587048422 BAOMXZQYIDLREA-UHFFFAOYSA-N 419.311 7.366 0 1 HKAF COc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)c(C)c1 587106127 FFXLYURROSQGGM-UHFFFAOYSA-N 409.441 5.057 0 1 HKAF CCOc1cc(/C=C/c2nc3c(Cl)c(Cl)cnc3[nH]2)ccc1OC(F)F 587131192 WJWOZRPBNFGHJJ-GQCTYLIASA-N 400.212 5.435 0 1 HKAF Fc1cc(Br)c(Cl)cc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587136827 OELSLHIKQIOKHN-UHFFFAOYSA-N 411.555 5.943 0 1 HKAF Oc1nc2cc3nc([C@@H](Oc4ccc(F)cc4Cl)c4ccccc4)[nH]c3cc2[nH]1 587158173 GGLDHXZFAZHQQY-IBGZPJMESA-N 408.820 5.106 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587192476 UNDGVFROANUXAF-KRWDZBQOSA-N 421.419 5.418 0 1 HKAF CCc1c([C@@H](CC)Sc2ccoc2C)nc2cccc3c2c1-c1ccccc1C3=O 587209299 NFWVVUNNBKGJBN-OAQYLSRUSA-N 413.542 7.153 0 1 HKAF Oc1ccc(Nc2cccc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c2)cc1 587242922 ZEWPZVUPEHLUNZ-UHFFFAOYSA-N 401.413 6.291 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(C=COc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 587328273 IXSWQLWAWCSQNC-JTHBVZDNSA-N 408.812 5.345 0 1 HKAF Cc1cc([C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1F 587332421 LMJHBWQCISKHHH-NOZRDPDXSA-N 406.428 5.643 0 1 HKAF COc1cccc(-c2cc(-c3ccccc3C(F)(F)F)nc3c2oc2ccccc23)c1 587360387 NEWRLVIQSVLKAC-UHFFFAOYSA-N 419.402 7.342 0 1 HKAF COC(=O)C[C@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)[C@H]1C 587362931 MWWHTIGNQOPXIL-GOEBONIOSA-N 401.462 5.496 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3ccc(Cl)nc3)c3ccccc13)O2 587379906 MKQPDXJMQAWOKQ-JOCHJYFZSA-N 417.896 5.335 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3cccc(Br)c31)CC2=O 587459880 QJWQONGZLBDLTQ-NRFANRHFSA-N 401.300 5.304 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)c1ccccc1n3CC)CC2=O 587474997 JMNOADYLJYKCRK-MHZLTWQESA-N 413.517 6.353 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)cc(CN3CCC[C@@H](C)C3)c1C)CC2=O 587475459 MDHNSWIRKQUGCQ-WGDIFIGCSA-N 421.581 5.900 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(C(C)(C)C)cc1)CC2=O 587488942 LFYYIFHPEGBYFY-VWLOTQADSA-N 410.510 5.368 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@]1(CCC(=O)O)c1ccccc1)CC2=O 587489869 PXTYNNPEODSUFO-CLJLJLNGSA-N 422.521 5.426 0 1 HKAF COc1ccc2c(c1)OC(C(F)(F)F)=C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587509313 RQFQEPYUKXBTHF-QFIPXVFZSA-N 416.395 5.273 0 1 HKAF Cc1ccc(C(=O)Oc2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 587520618 AUXQXKGXEOYASC-RUZDIDTESA-N 412.485 5.800 0 1 HKAF COc1cc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587548731 XQIDTYFZEUEPGI-WIYYLYMNSA-N 417.244 5.411 0 1 HKAF COc1ccc(C(F)(F)F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549564 QWXGIWQAJRPNAY-GHTZIAJQSA-N 416.351 5.123 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2ccc(F)cc2)c1 587572615 SUVYMMFHZAHXOD-BVAGGSTKSA-N 412.416 5.901 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@@H]2Cc1ccccc1 587602502 IFXJMIPONHQCIU-BLFHIAQRSA-N 400.474 5.526 0 1 HKAF CC(C)c1cc([C@]2(C(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587608226 KEYMTZGVIGEPTD-BVAGGSTKSA-N 418.489 5.734 0 1 HKAF COc1ccc(OC)c(C(=O)c2c(C(F)(F)F)[nH]c3ccc(F)c(Cl)c23)c1 587629183 YAMHICDVSNMWGV-UHFFFAOYSA-N 401.743 5.227 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3c[nH]c4ccccc34)c(N3CCC(N(C)C)CC3)c2c1 587641561 HMTSOCUGWBMNQZ-GOSISDBHSA-N 414.597 6.360 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ccc3ccncc23)N1 587699923 SZZAPKIPHAUONJ-APBUJDDRSA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2cccs2)(C(F)(F)F)N1 587707535 VERCSMJXNHINDC-ZVDUZYPISA-N 420.269 5.655 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc3nc(C(C)(C)C)oc23)N1 587776421 CJJWKXFTYGJSLZ-BTDLBPIBSA-N 418.310 5.046 0 1 HKAF Cc1ccccc1C1([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CCOCC1 587833914 IMKCFNBKUJEYKN-YCRPNKLZSA-N 418.350 5.220 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccsc3)c2)N1 587856782 YBIVORIHIRPVDT-ODXCJYRJSA-N 402.332 5.940 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSCc1ccccc1 587863105 CPBBVQMUOQYFNL-UHFFFAOYSA-N 406.429 5.151 0 1 HKAF CCCCCCOc1ccc(C(=O)n2nc(-c3cccc(F)c3)cc2OCC)cc1 587870286 DCUJTDPTTYJRKG-UHFFFAOYSA-N 410.489 5.736 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1nc(-c2ccccc2)cs1 587872062 GKAMJRMUGRMDBR-UHFFFAOYSA-N 407.470 5.094 0 1 HKAF CC(C)(C)OC(=O)[C@H]1C[C@@H]([C@]2(C)NCCc3cccc(-c4ccccc4)c32)C1(C)C 962661937 BFPJJBSEHRIULL-LOYIFYEOSA-N 405.582 5.719 0 1 HKAF Brc1cccc2[nH]nc([C@@H]3NCCc4cccc(-c5ccccc5)c43)c12 962662888 MNQVEIVEADYZEX-OAQYLSRUSA-N 404.311 5.228 0 1 HKAF CCC[C@]1(c2cccc(C(F)(F)F)c2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962706898 MPQNANLGLCGLQO-GCJKJVERSA-N 423.519 6.252 0 1 HKAF CC(C)c1nn(C)c2c1[C@@](CCC1CCCCC1)(c1ccnc(Cl)c1)NCC2 962916202 XIOUOKNRDRCYJJ-HSZRJFAPSA-N 400.998 5.342 0 1 HKAF COc1cc(OC(F)(F)F)ccc1-c1cccc([C@H](CC(=O)O)c2nccs2)c1 1772570026 GAPHMWSPEODBJK-INIZCTEOSA-N 423.412 5.324 0 1 HKAF CCCCOc1cc2c(cc1OC)[C@H]1Cc3c([nH]c4ccc(OC)cc34)CN1CC2 1772606937 IRPNRZLXKKTDDJ-HSZRJFAPSA-N 406.526 5.020 0 1 HKAF Cc1ccc([C@H](CNC(=O)c2ccc(/C=C/c3ccccc3)cc2)n2ccnc2)cc1C 1772630810 UCZSCRJCMATYOS-NRXURXQESA-N 421.544 5.690 0 1 HKAF COc1ccc(Sc2ccccc2-c2cn(-c3cc(OC)ccc3OC)nn2)cc1 1857599320 AZUPDOHNVIZFDE-UHFFFAOYSA-N 419.506 5.111 0 1 HKAF CC(C)n1cc(CCCC(=O)N(C)C[C@H]2CCCN3CCCC[C@H]23)c2ccccc21 2356519707 MXCDFKBAUBOGKK-ISKFKSNPSA-N 409.618 5.268 0 1 HKAF C[C@H]1CC[C@@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)NC1 2356528207 UUCQCKZTFQEWEI-VQJIZTJRSA-N 415.662 5.209 0 1 HKAF CC=C(C)C(=O)O[C@@H]1[C@H](O)C[C@]2(C)[C@H](CC[C@@H](C)CC(=O)O)C(C)=CC[C@H]2C1(C)C 2356599194 QHKXHNFSWCFKJN-QBGXWIPNSA-N 420.590 5.135 0 1 HKAF CCC=CCC(=O)O[C@@H]1CC=C2[C@@H]3CC[C@]4(C)[C@H](C(C)C)CC[C@@H]4[C@H]3CC[C@]2(C)C1 2356790687 FVZWUTGPDNERON-JKEPCURQSA-N 412.658 7.490 0 1 HKAF C[C@@H](CC[C@@H]1CC1(C)C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356826742 HJRZYGICTMFDLO-VAQBAPFFSA-N 400.691 7.469 0 1 HKAF CC(C)N(C)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 2356832615 ICIFJLMTFSQSDT-PERCSONFSA-N 402.711 6.304 0 1 HKAF CN(C(=O)c1cc(COc2ccc(F)cc2Cl)on1)[C@@H]1CCCc2ccccc21 12586465 CLKVLFNZCGGXRL-HXUWFJFHSA-N 414.864 5.196 0 3 HKAF COC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(Cc3ccccc3OC)n2c1 169303006 LYKHSSNDMFULMX-UHFFFAOYSA-N 406.869 5.041 0 3 HKAF COc1cc(Nc2nccc3c2cc(-c2cccc(F)c2)n3C)cc(OC)c1OC 205220159 NRTKIIMFZXPVCK-UHFFFAOYSA-N 407.445 5.149 0 3 HKAF CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 206954537 ATLBCAUXFUWSKE-QFIPXVFZSA-N 408.423 6.179 0 3 HKAF O=C(NCc1ccccc1)c1c(-c2ccccc2F)noc1-c1ccc(F)cc1Cl 2483041 PFDDNKTVQBZISQ-UHFFFAOYSA-N 424.834 5.870 0 1 HKAF CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NC[C@H](O)CC 4212298 FQQMFHBOKYNGIK-VJTSUQJLSA-N 422.569 5.255 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CCC2=C3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 13386960 QGPKBOWNYROFNQ-INTLFBSSSA-N 400.647 6.424 0 1 HKAF biogenic O=C(O)CCc1ccccc1-c1ccc(-c2ccccc2OCc2ccccc2)s1 13554035 ASVCOSIDAVCXKO-UHFFFAOYSA-N 414.526 6.678 0 1 HKAF CCCN1CCCCc2ccc(C(=O)CCC3CCN(Cc4ccccc4)CC3)cc21 13737858 YTVLWARKUSTOKZ-UHFFFAOYSA-N 418.625 6.114 0 1 HKAF COC(=O)c1ccc(-n2nc(C=O)c3c2[C@H](Cc2cccc4ccccc24)CCC3)cc1 26575751 HBGHZWDVPQWKOM-NRFANRHFSA-N 424.500 5.287 0 1 HKAF C[C@@H]1C(=O)c2c([nH]c3ccc(Cl)cc3c2=O)C[C@H]1c1ccc(C(F)(F)F)cc1 27098987 HSCRNHUFGOUESH-IINYFYTJSA-N 405.803 5.359 0 1 HKAF Cc1ccc(C(=O)Nc2ccc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)cc1 28639819 IEXYYJOWCVPVMT-UHFFFAOYSA-N 405.837 5.380 0 1 HKAF C(=C1\CCc2cc3c(nc21)/C(=C/c1ccc2c(c1)OCO2)CC3)\c1ccc2c(c1)OCO2 34858532 MBXUJNDTHJVBDY-VNIJRHKQSA-N 423.468 5.513 0 1 HKAF CC[C@H]1C[C@@H]2NC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@@H](C)CCCC(C)C)[C@H]12 36189475 MASOXJRADXYGSF-UAOBZHRXSA-N 415.706 7.222 0 1 HKAF O=C(Nc1ccc2c(c1)C[C@H](NCc1ccccn1)C2)c1ccccc1-c1ccccc1 40403377 VHIQFTOKJVJIJC-RUZDIDTESA-N 419.528 5.258 0 1 HKAF COc1ccc2c(c1)CN(C)CCn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21 40919081 IJCIPRKZMGOSQU-UHFFFAOYSA-N 418.537 5.508 0 1 HKAF CCn1cc(-c2ccnc3[nH]ccc23)c(-c2cccc(NC(=O)Nc3ccccc3)c2)n1 40974688 BUTSSCBHZQMTEB-UHFFFAOYSA-N 422.492 5.757 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4cccc(CNC[C@H]5CCCO5)c4)s3)nc12 45191897 WVRYNYQGFUPJJD-LJQANCHMSA-N 403.551 5.535 0 1 HKAF Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(F)c1 66129270 FLFDFOZJEHKPGG-UHFFFAOYSA-N 400.479 5.020 0 1 HKAF CCCCNc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2cccc(C)c2)n1 82147283 VZIGVVBDAUNTQE-UHFFFAOYSA-N 416.569 5.715 0 1 HKAF Cc1ccc(-c2cccc([C@@H]3COc4cc5c(cc4O3)OC[C@H]5CC(=O)O)c2)c(C)c1 96269864 YXWBBFNTKPYWQI-CLOONOSVSA-N 416.473 5.434 0 1 HKAF CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1cccc(OC)c1 100704969 ZHXTYFLWVPKBSF-INIZCTEOSA-N 411.527 5.153 0 1 HKAF Cc1cnc(Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)c(-c2ccnc(C)c2)c1 139476355 KAPZUMLJKFHKTH-UHFFFAOYSA-N 420.472 5.660 0 1 HKAF Clc1ccc(Cc2nn3c(Br)c(-c4ccccc4)nc3s2)cc1 299830730 PIQDFUBUGXOCPL-UHFFFAOYSA-N 404.720 5.465 0 1 HKAF Cc1cc(-c2nc3ncc(Br)c(C)c3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586878338 DNSJVCVKJLDBRV-UHFFFAOYSA-N 422.282 5.369 0 1 HKAF CCc1ccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1Br 586978270 YROATCKKLYAACJ-UHFFFAOYSA-N 403.629 6.227 0 1 HKAF COc1cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2cc1OC 587015098 FNFHGHYRBYCPGU-UHFFFAOYSA-N 406.294 5.677 0 1 HKAF Clc1cnc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2c1Cl 587040553 NZLULCAEJWIASZ-UHFFFAOYSA-N 413.333 6.110 0 1 HKAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(CC)cc3[nH]2)c1 587048756 MTCCIYGQQFACAM-UHFFFAOYSA-N 412.921 5.089 0 1 HKAF COC(=O)c1cccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 587057802 VCHACWSUMDWALT-UHFFFAOYSA-N 417.248 5.495 0 1 HKAF CCCCCOc1cc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2cc1Br 587089326 ALBRVHDWLLVFQT-CYBMUJFWSA-N 417.628 5.818 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(N5CCCC5=O)cc4)nc13)-c1ccccc1C2=O 587098429 UWHRUTJMTGATBO-UHFFFAOYSA-N 404.469 5.548 0 1 HKAF CCOC(=O)Cc1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587123659 FMUIIFDNIKHUHN-POHAHGRESA-N 406.429 5.451 0 1 HKAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(Sc3ccccc3)ccc2[nH]1 587149623 NXNOFVASJZTUAO-UHFFFAOYSA-N 418.472 6.060 0 1 HKAF COc1cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1Cl 587159381 OGBDYTBGXCKLTQ-FQEVSTJZSA-N 417.267 6.186 0 1 HKAF Fc1ccc(/C=C(/c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c2cccs2)cc1 587162522 CNZVMHPOLBXNNX-MDWZMJQESA-N 400.381 5.674 0 1 HKAF Fc1ccc(/C=C(\c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c2cccs2)cc1 587164756 WINKPDZXQCTZAJ-WJDWOHSUSA-N 404.445 5.677 0 1 HKAF Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3ccc(Cl)nc3[nH]2)cc1 587165289 OZYHUSLAMBBEDJ-UHFFFAOYSA-N 418.863 5.088 0 1 HKAF CC(C)[C@@]1(COCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346916 CKFPBOCYGXMNCR-AOYPEHQESA-N 420.480 5.502 0 1 HKAF COc1cccc(-c2cc(-c3ccc(F)cc3N(C)C)nc3c2oc2ccccc23)c1 587359612 FPULEIPRZBLKFW-UHFFFAOYSA-N 412.464 6.529 0 1 HKAF C[C@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccsc2S1 587372123 HREXBOCUHLWYNN-BZGUAGMMSA-N 412.507 5.732 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2Sc2c(C(C)C)cccc21 587413262 GJDQVLHVJQZMEB-RUZDIDTESA-N 401.531 6.074 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4ccc(C(F)(F)F)cc4)cc1)[C@@H](C2)C3=O 587420042 DPPSCJDCGZJBQL-GBXCKJPGSA-N 424.418 6.044 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cc(Br)ccc3[nH]1)CC2=O 587457954 DYKPYZXCHNIDFN-LJQANCHMSA-N 400.272 5.295 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccco3)oc3ccc(O)cc13)CC2=O 587483113 REWHVDUSKJJNLC-OAQYLSRUSA-N 404.418 5.763 0 1 HKAF CC(C)(C)C(=O)Nc1ccnc(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587499194 LPDPRZVMMIOSOT-SFHVURJKSA-N 412.917 5.305 0 1 HKAF COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587521082 AJBPSFNZOUWQIP-IRPSRAIASA-N 424.540 6.165 0 1 HKAF C[C@]1(c2cc(Cl)c(N)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545284 OOGBWNMUXGEYOS-LAUBAEHRSA-N 416.260 5.158 0 1 HKAF Cc1ccc(-c2cnc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)c(C)c1 587586886 LJLYCMXHQVYAPI-URXFXBBRSA-N 413.429 5.367 0 1 HKAF Cc1cc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1C=O 587602373 JQZPRKULZOZHLK-RCZVLFRGSA-N 402.446 5.007 0 1 HKAF O=C(c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1)C1CCCC1 587604555 WUWGRHGEBBJEOM-ATIYNZHBSA-N 414.457 5.468 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2c1 587639804 CVSQGKRLUISEQM-NSHDSACASA-N 408.851 6.914 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C)c(Cc3ccc(I)cc3)c2c1 587641913 KRTMZYNQQKETHB-CYBMUJFWSA-N 403.307 6.185 0 1 HKAF CCOC(=O)c1c(C2CN(C(=O)OC(C)(C)C)C2)[nH]c2ccc([C@H](C)CC)cc12 587644023 ZBMLBACKNHJKIR-CQSZACIVSA-N 400.519 5.192 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)cc2Cl)N1 587697320 SPWBIIBYIICSEV-XLFHBGCDSA-N 403.122 5.693 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(O)cc2Cl)N1 587698616 ZELKXGUUROZWPW-GYKQLYQFSA-N 405.094 5.224 0 1 HKAF Cc1nc(C(F)(F)F)ccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587710101 BOSNKTWJKIKIPU-XYZCENFISA-N 417.244 5.108 0 1 HKAF Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1Cl 587714240 DWAZUYQNZWOQES-XTZNXHDOSA-N 400.694 5.487 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2[nH]c2ccc(F)cc32)N1 587728496 FNODTDATWBEKHW-MQJDWESPSA-N 417.297 5.323 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cccs2)N1 587732243 ITCSOTJEQLONQU-MPBGBICISA-N 420.322 5.615 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(N)cc3)o2)N1 587746281 LZHOFSZDXAWCDF-YBTHPKLGSA-N 401.279 5.054 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2(c3ccccc3)CCCC2)N1 587814145 GKDQYGXABAXLCV-VFNWGFHPSA-N 402.351 5.850 0 1 HKAF CC1=C(/C=C/[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)CCC1 587815063 KDWBNHZLDANXGM-MIQCXRRSSA-N 406.383 6.420 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccc(C(C)(C)C)cc2)N1 587821012 SFMFBPPJQJEVFD-QKKBWIMNSA-N 404.367 6.094 0 1 HKAF Cc1ccc([C@]2(c3ccco3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587831465 XCWWKELCRUEGLK-QKKBWIMNSA-N 400.291 5.316 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SC3CCCC3)cc2)N1 587841379 AVBZBHWPWQCPQM-ASSNKEHSSA-N 420.391 6.247 0 1 HKAF Cc1csc2sc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C)c12 587857925 NLQVPSCOACMNJP-XXFAHNHDSA-N 410.377 6.105 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccccc2[nH]c1=S 587866677 JAXPQBJRCFTJCY-UHFFFAOYSA-N 416.428 5.563 0 1 HKAF CCCCc1ccc(-n2c(OCC)cc(CC(C)=O)c2OCC)c(Br)c1 587937508 SHOPFKZSFPZYHS-UHFFFAOYSA-N 422.363 5.511 0 1 HKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587952778 XDOIVGDFAJVDEZ-UVWXRNBGSA-N 419.285 6.391 0 1 HKAF CCC[C@@H](Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1)C(=O)OCC 653807566 PQHAVRUXNDRGCG-SFHVURJKSA-N 421.459 5.157 0 1 HKAF Nc1cccc(-c2ccc3ncc4nc(O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)c1 653852826 MMAHDJLIPXFYLS-UHFFFAOYSA-N 420.394 5.547 0 1 HKAF C[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)Nc2ccc(Cl)cc2)[C@@H]1c1ccccc1 957608712 IHUXVDGMZLQOMQ-BSDZUQITSA-N 418.924 6.265 0 1 HKAF CC(C)(C)c1[nH]c2c(F)cccc2c1[C@H]1c2ccsc2CCN1Cc1cccnc1 963013143 QMKYNGKIZRLQMS-HSZRJFAPSA-N 419.569 6.209 0 1 HKAF Cc1cc(OC(F)(F)F)ccc1[C@@]1(C)c2cccc(Br)c2CCN1C 963282816 YBRCBKTUZYCREU-SFHVURJKSA-N 414.265 5.408 0 1 HKAF Cc1cc(C)cc([C@]2(c3ccc(Br)cc3)NCCc3ccc(O)cc32)c1 963329543 OGZPPDFWEINWDT-QHCPKHFHSA-N 408.339 5.209 0 1 HKAF CC(C)(O)[C@@H]1CC=C2[C@@H]3CC[C@H]4Cc5c([nH]c6ccccc56)[C@]4(C)[C@@]3(C)CC[C@@H]2C1 1772643659 SRGYCQKVCONDPJ-RUFZARBISA-N 403.610 6.532 0 1 HKAF CC(=C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CC(C)C 2356555119 JVYPHKPYYNCGNZ-CNDFOAKRSA-N 414.718 7.881 0 1 HKAF COc1ccc(Cl)cc1C[C@]1(C)C(=O)Nc2ccc(-c3ccccc3OC)cc21 61903708 LEKVNIZMTPKXIV-DEOSSOPVSA-N 407.897 5.477 0 3 HKAF c1ccc(C(CCc2nc(CCNCCCc3ccncc3)c[nH]2)c2ccccc2)cc1 13530343 QYJHLNHROLUENX-UHFFFAOYSA-N 424.592 5.334 0 1 HKAF Fc1ccc(CN2CCC(CCO[C@H](c3ccccc3)c3ccc(F)cc3)CC2)cc1 13760757 MGESTBXJNHZBDQ-HHHXNRCGSA-N 421.531 6.373 0 1 HKAF O=C(NCc1ccccc1)[C@]1(C(F)(F)F)C[C@H](CCC2CCCCC2)CCCO1 13829036 XXQDMUSIDRKDRH-UGKGYDQZSA-N 411.508 5.781 0 1 HKAF C[C@@H]1Oc2c(c3c(c4oc(=O)cc(-c5ccccc5)c24)C=CC(C)(C)O3)C(=O)[C@H]1C 14768073 JCKXVEVCXNXGQW-KBPBESRZSA-N 402.446 5.244 0 1 HKAF biogenic C[C@@H](C(=O)OCC(=O)c1ccccc1)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27556069 QPPLHRWKCMWRRN-AHRSYUTCSA-N 422.546 5.311 0 1 HKAF CCCCN(CCCCF)c1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C 27768902 HIQKZIGQVAJWFC-UHFFFAOYSA-N 424.608 6.627 0 1 HKAF CCCN(CC1CC1)c1cc([C@H](OC)c2c(CC)cc(CC)cc2CC)nc(C)n1 28352704 RGPOFTZANLPEPV-SANMLTNESA-N 409.618 5.834 0 1 HKAF Clc1ccc([C@]2(Cn3ccnc3)OC[C@@H](c3ccccc3Cl)O2)c(Cl)c1 28768239 BVANVJVABVSZKC-RBUKOAKNSA-N 409.700 5.484 0 1 HKAF CC(C)Oc1ccc(C(=O)N(CCc2ccccc2Cl)[C@@H]2CCSC2)cc1 28823642 YUPRJOJXEFMKBX-LJQANCHMSA-N 403.975 5.318 0 1 HKAF CC[C@@]1(C[C@@](O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)CCCc2ccccc21 28826139 YTXMUOSDKIUWKU-GOTSBHOMSA-N 401.472 6.078 0 1 HKAF O=C1C[C@H](c2ccc(Cl)cc2Cl)C[C@@H]2Sc3ccc(Cl)cc3C(=O)[C@H]12 49567367 PZKSLHZFBRDKRX-WBDLMLRWSA-N 411.737 6.067 0 1 HKAF O=C1NC(=O)/C(=C/c2ccc(OCc3ccccc3)cc2OCc2ccccc2)S1 72109965 FYTYCNJXFACJEO-XKZIYDEJSA-N 417.486 5.169 0 1 HKAF COc1ccc(Oc2nc(NC3CCCCC3)nc(N(C)C3CCCCC3)n2)cc1 82066463 JWRZPLQZCGUVSP-UHFFFAOYSA-N 411.550 5.186 0 1 HKAF CCN(C)C(=O)c1cnc(NC2CCCCC2)nc1-c1ccc(-c2ccccc2)cc1 82159789 YYAQKRYGSGZRCQ-UHFFFAOYSA-N 414.553 5.647 0 1 HKAF c1ccc(-c2cnc(-c3cnc(NC[C@@H]4CCCO4)nc3-c3ccccc3)s2)cc1 82162809 SYKGOAJPYLZIOQ-IBGZPJMESA-N 414.534 5.525 0 1 HKAF CCc1cnc(-c2cnc(NCc3ccc(C)cc3)nc2-c2ccccc2F)s1 82176065 KKMKYBOLBCAZER-UHFFFAOYSA-N 404.514 5.889 0 1 HKAF CCN(CC)CCNc1nc2ccc(Nc3ccnc4cc(Cl)ccc34)cc2[nH]1 84672138 AICHKEJGKGOJQB-UHFFFAOYSA-N 408.937 5.262 0 1 HKAF Cc1ccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(Cl)cc2)cn1 84714754 APUIBWTUKWJZSX-NRFANRHFSA-N 410.304 5.688 0 1 HKAF CCCCC[C@H](CO)c1cc(O)cc(C[C@H]2CCC[C@H]([C@@]3(C)C=CC[C@H](C)C3)C2)c1 85543627 KRNHLAGJQXRKBU-PDIXWUFNSA-N 412.658 7.390 0 1 HKAF biogenic,in-vitro CCCCCN(CCCCC)C[C@@H](O)c1cc(-c2ccccc2)nc2ccccc12 100675673 WSSAZUACODWQIP-HHHXNRCGSA-N 404.598 6.618 0 1 HKAF Fc1ccc2c(CCCCN3[C@@H]4CC[C@@H]3c3c([nH]c5ccc(F)cc35)C4)noc2c1 100730860 RKKLLFDATFBVDR-OPAMFIHVSA-N 407.464 5.672 0 1 HKAF OC1(c2ccc(Cl)cc2)C[C@H]2CC[C@H](C1)N2Cc1coc2ccc3ccccc3c12 101185518 OBLDKFKTBGJWKJ-FGZHOGPDSA-N 417.936 6.254 0 1 HKAF CCOP(=O)(OCC)[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccccc1 103218314 YXEHLYVKAHCMQA-SFHVURJKSA-N 415.348 5.400 0 1 HKAF CC(C)NC[C@H](O)COc1c(C(C)(C)C)cc(Oc2ccccc2)cc1C(C)(C)C 169318908 AAZOIYUMCYAANH-IBGZPJMESA-N 413.602 5.812 0 1 HKAF COC(=O)c1ccc(O)c(C/C=C(/C)CC/C=C(/C)CC/C=C(/C)CCC=C(C)C)c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c1cccc(-c2ccc3c(c2)CCCCN3c2ccc(C(F)(F)F)cc2)n1 473118668 KZZZKGXBDZVESM-UHFFFAOYSA-N 411.427 5.341 0 1 HKAF NC(=O)C[C@H](CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1 473144818 DNNIFVGHPNQZGR-QGZVFWFLSA-N 408.885 5.120 0 1 HKAF Brc1n[nH]c2ccc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)cc12 587008536 XZDXMBCKPQNYLA-UHFFFAOYSA-N 419.282 5.448 0 1 HKAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(C)c(C)cc3[nH]2)c1 587047835 AACOVFWJMUBRQH-UHFFFAOYSA-N 412.921 5.143 0 1 HKAF O=C(Nc1ccccc1Cl)c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1 587060223 GORKNKBICMTFKG-UHFFFAOYSA-N 407.701 5.506 0 1 HKAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587069266 HDBGVZHSVAHOQZ-INIZCTEOSA-N 418.953 5.778 0 1 HKAF Cc1ccc2c3c(cc(-c4csc(Br)c4)nc13)-c1ccccc1C2=O 587102265 MRNBKOYWNHRECQ-UHFFFAOYSA-N 406.304 6.246 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cnc4ccccc4c3[nH]2)c(Cl)c1 587158098 FJMYXOJFJLDWQS-JOCHJYFZSA-N 403.844 6.072 0 1 HKAF CC(C)Oc1ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c1 587183389 YRLWZYWUGKJOCT-UHFFFAOYSA-N 412.658 5.275 0 1 HKAF Cc1ccc2c(ccc3nc([C@H](c4ccccc4)N(C)C(=O)OC(C)(C)C)[nH]c32)n1 587189608 BSSUYCNWJNAAKO-NRFANRHFSA-N 402.498 5.376 0 1 HKAF Cc1c(Br)ccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c12 587234044 VNVPKBNWSAECDK-TZMCWYRMSA-N 408.340 5.185 0 1 HKAF COc1ccccc1Nc1ccccc1-c1nc2cc(C)cc(Br)c2[nH]1 587241285 SHVZFRLAHJRHHX-UHFFFAOYSA-N 408.299 6.053 0 1 HKAF COc1ccccc1Nc1ccccc1-c1nc2ccc(F)c(Br)c2[nH]1 587241618 ZKARAYPTXKRABZ-UHFFFAOYSA-N 412.262 5.884 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 587329047 BXOFYQSACPRGDB-VTZPFEBOSA-N 406.428 5.736 0 1 HKAF C/C(=C\[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)N(C)C 587333092 FVRVRBAJORKUIQ-IUVRJAFDSA-N 417.480 5.251 0 1 HKAF CCc1nc2c(s1)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587375488 SVYARCQQAIIUAZ-REWPJTCUSA-N 409.482 5.141 0 1 HKAF COC(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1Cl 587376631 SPHSQOITYQBPOK-JOCHJYFZSA-N 421.880 5.391 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1ccccc1Cl)CC2=O 587461047 JFHIONBODCOUHY-RUZDIDTESA-N 406.909 6.216 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1cc(Cl)cs1)CC2=O 587465104 AKILQLIIQHPOIA-QFIPXVFZSA-N 416.901 6.108 0 1 HKAF CC[C@]1(c2ccc(Cl)c(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587505073 TXHYKAZXKHMFLW-OAQYLSRUSA-N 419.746 6.252 0 1 HKAF O=C1C[C@@](c2ccc(Br)cc2)(c2ccco2)Oc2c1ccc1c2CCCC1 587505110 UTFQURGBCOSLRF-HSZRJFAPSA-N 423.306 5.830 0 1 HKAF COc1cc(F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587505188 LKOHIDUWLBCSCB-GOSISDBHSA-N 405.263 5.182 0 1 HKAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(C)c1OCc1ccccn1 587513029 AAIPVINWOXSTEM-RUZDIDTESA-N 413.517 5.863 0 1 HKAF CC[C@]1(c2c(F)cc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555980 IHDOONBGKMMCFO-SIKLNZKXSA-N 400.352 5.077 0 1 HKAF CC(C)(C)OC(=O)c1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597957 WWTUQDYPICAQTI-REWPJTCUSA-N 418.445 5.050 0 1 HKAF O=C(Nc1ccccc1)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 587621360 BSPDOCSWDPCLJK-UHFFFAOYSA-N 423.192 5.078 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C(F)(F)Cl)N1 587705301 MPIDEYIRSZZLFB-HWPZZCPQSA-N 404.657 5.198 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C(Cl)c3ccccc3CC2)N1 587706916 SOPNKVOLDWGHKN-BIBXISHDSA-N 406.726 5.760 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)c(F)c2)N1 587709749 CLXKQJRCUYPBMF-HUTHGQBESA-N 420.219 5.544 0 1 HKAF Cc1nc(C(F)(F)F)ccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587713309 NADGBLFQUAPZLW-XLFHBGCDSA-N 417.244 5.108 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(Cl)cc2Cl)N1 587716142 IVMRVZHYNQIXLJ-QZTNRIJFSA-N 407.085 5.658 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccccc3)cc2)N1 587806376 ADLBRDRAZZJOJV-PEBXRYMYSA-N 412.302 6.004 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c4c(cccc24)CC3)N1 587814022 FKZYHPXZEYLCFV-ZAMGYDSWSA-N 410.330 5.638 0 1 HKAF CCc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)oc2ccc(C)cc12 587830336 SMEUKSUKSXKBBW-DMZKTXOQSA-N 416.334 6.003 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cs2)N1 587845218 CYBJSRDCJZHIOB-WJWGPLDTSA-N 405.130 5.036 0 1 HKAF COc1cc2c(cc1OC)[C@@]1(CC3(CCCCC3)Oc3ccccc31)N(C)[C@H](C)C2 962569864 MIHRLDYSKWYJSO-DWXRJYCRSA-N 407.554 5.309 0 1 HKAF CCSc1ccc([C@@]2(CCCC(=O)O)c3c(F)cccc3C[C@H]3CCCN32)cc1 963094674 CMNMPMIAXIILTE-DVECYGJZSA-N 413.558 5.457 0 1 HKAF C/C=C(\C)C(=O)Nc1cccc(Nc2ccc3c(/C=C/c4ccccc4)[nH]nc3c2)c1 1772574616 COWYAVNDEFQVQV-AALHFQTCSA-N 408.505 6.382 0 1 HKAF CCc1ccccc1-c1cccc2cc(CNCc3ccc(C(=O)O)cc3)sc12 1772619568 UFRROIBRJQDNPO-UHFFFAOYSA-N 401.531 6.119 0 1 HKAF Cc1cc(N2CCCC2)nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc12 1857632781 RUMWMNBSDBOGLD-UHFFFAOYSA-N 400.309 5.703 0 1 HKAF COc1ccc(-n2cc(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)nn2)cc1 1857649504 UAWYTHRXYDQQLG-UHFFFAOYSA-N 419.488 5.419 0 1 HKAF O=C(O)C[C@@H](NC(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1Cl 1857751104 ZLDIPXNHWVKTAY-CYBMUJFWSA-N 407.080 5.246 0 1 HKAF CC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C 1857769028 VGXONZFELQXFLV-XGZCAYLGSA-N 402.575 5.752 0 1 HKAF CC(C)c1cc(CCNc2ccccc2C(=O)O)cc(-c2ccc3c(c2)[C@H](N)CO3)c1 1911573452 BPOYKMHILAVSKZ-HSZRJFAPSA-N 416.521 5.222 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C[C@H](O)CC[C@@]4(C)C3=CC[C@@]12C 2356416632 AGVCHWQWQGSFDP-HXTUKQKFSA-N 410.686 7.721 0 1 HKAF CC(C)=C[C@@H]1C[C@]23[C@H](CC[C@H](C)[C@]2(C)CC[C@](C)(O)[C@@H]3Cc2c[nH]c3ccccc23)O1 2356447587 XHGDWOIUBXSXIP-GPAXNXEMSA-N 421.625 6.418 0 1 HKAF Cc1c2c(cc3c1C(=O)C[C@]1(C)[C@@H]3CC[C@@H]1[C@H](C)C=C[C@H](C)C(C)C)CC[C@H](O)C2 2356479252 JEBBAGYMMFYRSR-ZHOVBLBESA-N 408.626 6.415 0 1 HKAF CC(C)CCC[C@H](CO)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356530600 GTZWTRBGKCIOLZ-QXADDAJQSA-N 418.662 5.332 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4[C@H](C)[C@H](O)CC[C@]4(C)C3=CC[C@@]12C)C(C)C 2356598734 ZGEARXVVLFISLP-OWHYLDJWSA-N 424.713 7.967 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)ccc(-c2coc3cc(O)cc(O)c3c2=O)c1O 2356599030 LEFFXTVNSKTXIC-UHFFFAOYSA-N 422.477 5.518 0 1 HKAF C[C@]12CCCC[C@@H]1C[C@@H]1NCCCN[C@@H]3C[C@]4(C)CCCC[C@]4(C)[C@@H]3C=CC=C[C@@H]12 2356790397 FNBRMVQUZZRHIE-QECVFCDWSA-N 410.690 6.242 0 1 HKAF CC(C)=CCCC(=CCCC(C)=CCCC1=C(c2ccc(C)o2)C=C[C@]1(C)O)C(=O)O 2356843752 NPAWFSFXBCIQRF-MHZLTWQESA-N 424.581 6.927 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccc(F)c(F)c1)Oc1ccccc1-3 12404508 XGBWGDGYTTWUIM-QRVIBDJDSA-N 401.456 7.130 0 1 HKAF O[C@@H]1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1 13493982 SEGLRXUOVKIQDG-BKMJKUGQSA-N 419.540 5.205 0 1 HKAF Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(Cc2ccncc2)CC1 13738228 DPLBHZUJBZSUAV-UHFFFAOYSA-N 401.941 5.327 0 1 HKAF CN(Cc1ccccc1)C(=O)Nc1c(-c2ccc(F)cc2)c2ccccc2c(=O)n1C 13742618 VCOZZVXBJBIFFG-UHFFFAOYSA-N 415.468 5.009 0 1 HKAF FC(F)(F)c1ccc(Cn2c(Br)nc3cc(Cl)c(Cl)cc32)cc1 13779319 DIOLVZIEOXZLFD-UHFFFAOYSA-N 424.047 6.173 0 1 HKAF CC1(C)CC2=C3C=C[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)CCC2=CC1=O 14493673 OZXHGDBEMSKSQT-XLFRAKDLSA-N 420.637 7.006 0 1 HKAF biogenic CCc1noc(-c2ncn3c2CN=C(c2ccccc2Cl)c2cc(Cl)ccc2-3)n1 26388973 BSORTXBDCHWHAL-UHFFFAOYSA-N 424.291 5.143 0 1 HKAF CC[C@H](O)c1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1cccc2ccccc12 26569483 NTFDOHUTBGQNQM-CPJSRVTESA-N 414.524 6.271 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)c1c[nH]c(Cc2c(Cl)cccc2Cl)n1 28530996 LPWHNQWZGPEIHM-UHFFFAOYSA-N 414.214 5.578 0 1 HKAF O=C(Nc1ccc(Br)cc1)c1ccccc1Cn1ccc2cnccc21 28571127 POKUXORWYHOFMV-UHFFFAOYSA-N 406.283 5.099 0 1 HKAF C1=C(c2ccc(CCN3Cc4ccccc4C3)cc2)[C@H]2CN(Cc3ccccc3)C[C@H]2C1 29127891 JLAMKRXQRNZJDJ-DGPALRBDSA-N 420.600 5.780 0 1 HKAF Cc1ccc([C@H]2c3[nH]c4cc(F)ccc4c3CCN2C(=O)CCc2ccccc2)cc1 35901544 BXLKXLBSGMVMNY-MHZLTWQESA-N 412.508 5.722 0 1 HKAF COc1cccc(N(C)[C@H]2CCCc3nc(-c4c(C)cccc4C)cc(OC)c32)c1C 40420518 HFJAMWJPXYAPQB-QHCPKHFHSA-N 416.565 6.205 0 1 HKAF CC(C)N(C)c1ccc2nc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1 40972748 WBEKTYLGWPSFMA-UHFFFAOYSA-N 416.447 5.065 0 1 HKAF CN(C)CC[C@@]1(c2ccc(Cl)cc2)Cc2cc(-c3ccccc3)ccc2C(=O)O1 53229608 IMYAOTKHJYPCIK-VWLOTQADSA-N 405.925 5.567 0 1 HKAF CC(=O)OCC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccccc2)c2n1CC(C)(C)C2 66123218 FWSVJCAVKVAEGX-UHFFFAOYSA-N 421.924 5.804 0 1 HKAF Cc1nc2c3c(ccc2s1)NC1=C(C(=O)OC1)[C@@H]3c1ccc(Cl)cc1Cl 73157644 HDEDGAMKKRPWBM-OAHLLOKOSA-N 403.290 5.280 0 1 HKAF [O-][n+]1ccc2c(-c3ccc(F)cc3F)ccnc2c1-c1c(Cl)cccc1Cl 73160482 ZLOLCVBDRAYNPI-UHFFFAOYSA-N 403.215 5.787 0 1 HKAF C[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 73222844 KFBHGWRZBOVPTI-SFHVURJKSA-N 411.505 5.171 0 1 HKAF CCCOC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2 95597897 CSTIEFKDZNWZME-UHFFFAOYSA-N 421.443 5.605 0 1 HKAF O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(-c2ccccc2)cc1 96940054 BRLBTOJQLXGOHO-UHFFFAOYSA-N 424.529 5.393 0 1 HKAF Cc1cccc(C(C)C)c1OC(=O)c1cn(-c2ccccc2)nc1-c1ccsc1 98085436 GVRQJMUUCGKRTB-UHFFFAOYSA-N 402.519 6.252 0 1 HKAF OC1(c2cccc(Cl)c2Cl)C[C@@H]2CC[C@@H](C1)N2Cc1coc2ccccc12 101185369 GMEKBIQFYDAEOK-HOTGVXAUSA-N 402.321 5.754 0 1 HKAF COc1ccc([C@H]2C(c3ccc(C)cc3)=NO[C@@]23SCc2ccccc2C3=O)cc1 103188462 RMOQKPHNVXRNEZ-WIOPSUGQSA-N 415.514 5.348 0 1 HKAF CCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1cccc2ccccc12 103266125 BXEHDWYVELQKKS-UHFFFAOYSA-N 420.984 5.868 0 1 HKAF CCCCNC[C@@H](O)c1cc(-c2cccc(C(F)(F)F)c2)nc(C(F)(F)F)c1 169336878 QPOPXUKVVNDYPU-MRXNPFEDSA-N 406.370 5.209 0 1 HKAF Cc1ccc(-c2nnc(SCc3nc4cc(C(F)(F)F)c(F)cc4[nH]3)n2C)cc1 586965354 NYVNRDFJRLPVKE-UHFFFAOYSA-N 421.423 5.117 0 1 HKAF CCc1ccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1Br 586978020 WZADVYGARFUONC-UHFFFAOYSA-N 416.063 5.596 0 1 HKAF CCc1ccc(-c2nc(-c3nc4ccc(Br)c(O)c4[nH]3)cs2)cc1 587015012 BXCBWOLSGUXQBG-UHFFFAOYSA-N 400.301 5.384 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc4ncccc4c3[nH]1)N2 587030808 IUVSGMXAAKUSER-DZZSIBQASA-N 421.551 5.238 0 1 HKAF Brc1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 587040633 PMHCGBOBIMOLJV-UHFFFAOYSA-N 422.351 6.171 0 1 HKAF N[C@@H](N=O)c1ccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2c1 587060401 LHBNPUDFEMJASU-QFIPXVFZSA-N 413.868 5.822 0 1 HKAF CC(C)(C)c1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587070106 RRMYLXKDKLMEFZ-FXBPSFAMSA-N 414.980 7.687 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(Br)cc(C)c2[nH]1 587077304 VIDFODCOUIVUOQ-UHFFFAOYSA-N 401.695 5.448 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c(C)nc(C)cc4[nH]3)c(Cl)cc12 587078574 WIESGXGKLAJDLD-CYBMUJFWSA-N 411.889 5.427 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CN(Cc2ccccc2)C[C@H]1C3 587105730 GMSCYSPPJVHZAN-WOJBJXKFSA-N 416.524 5.293 0 1 HKAF Fc1c(Br)ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 587124678 LAUXALWGAUPQFF-FPYGCLRLSA-N 417.225 6.247 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc(OC)cc(OC)c4[nH]3)cc2F)c1 587142965 IFPIZHMIJFEVEX-UHFFFAOYSA-N 412.848 5.715 0 1 HKAF CC[C@H](Oc1ccccc1F)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587155582 MNQUUFHPIAOHCP-KRWDZBQOSA-N 421.310 6.029 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 587330083 MZTKAYGKYLIFFD-VTZPFEBOSA-N 422.883 6.250 0 1 HKAF CCCc1ccc([C@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587352929 KFQMNCPILDECQF-VPUSJEBWSA-N 418.508 6.394 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(OC)cc2CC3)c1 587361909 FHJXDWFVCBDCFJ-UHFFFAOYSA-N 407.469 6.431 0 1 HKAF COc1ccc(-c2[nH]c3ccccc3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F 587386609 VLABWGOQPGZHNQ-JOCHJYFZSA-N 416.452 5.580 0 1 HKAF C[C@@]1(c2ccc(Oc3ccc(F)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587507383 MMLBCWUVIVEGBH-SANMLTNESA-N 402.465 6.377 0 1 HKAF COC(=O)[C@@]1(c2c(Cl)ccc(F)c2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587508964 UJHCTBMIBBWNQK-NRFANRHFSA-N 423.267 5.045 0 1 HKAF Cc1ccc([C@]2(Cc3nc4ccccc4[nH]3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524991 MZQUSNOIELBFJE-MUUNZHRXSA-N 422.528 5.854 0 1 HKAF CCc1cc(=O)oc2cc(OC[C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc12 587532517 OINKGUHFOMAJPL-SANMLTNESA-N 418.489 5.037 0 1 HKAF CC[C@]1(c2c(Cl)cccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540541 AYXMHBMVXRSLRW-SIKLNZKXSA-N 415.272 5.966 0 1 HKAF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cccc1C(F)(F)F 587550309 UMVVQIUJEOUGAF-NQIIRXRSSA-N 400.352 5.422 0 1 HKAF CCCC[C@@H](CC)CCc1nc2nc(O)nc(O)c2cc1C[C@H](CC)CCCC 587561867 VTMIJHMXWLJLNF-QZTJIDSGSA-N 401.595 6.344 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(COc4cccc(C)c4C)[nH]c3c2)cc1 587564825 YPLALNRFBJCYAM-UHFFFAOYSA-N 402.450 5.338 0 1 HKAF CC(C)Oc1ccc(CC[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587593384 IZYGXHPZRCBKEW-GGAORHGYSA-N 404.462 5.142 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604210 VGJJWHKYWMDNIU-SNOBZRMMSA-N 406.522 6.275 0 1 HKAF CC(C)(C)Sc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606539 HXVCXBOYIPJVGS-REWPJTCUSA-N 406.503 5.986 0 1 HKAF C[C@@]1(c2csc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611255 GAXUMTGZSHIJDP-LPHOPBHVSA-N 417.280 5.093 0 1 HKAF CC(C)[C@@]1(c2cc3ccccc3o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615214 FKUKUYKXANWSEG-RDGATRHJSA-N 400.430 5.652 0 1 HKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1Cc1ccc(Br)cc1 587657563 XODIHICSSCYZRU-UHFFFAOYSA-N 409.258 5.013 0 1 HKAF CCOc1ccc(Cl)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587696102 KWPTVYZBIUURTQ-NSPYISDASA-N 412.730 5.438 0 1 HKAF Cc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587711385 XAQPXAOZWRFGMW-XIKOKIGWSA-N 416.256 5.545 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)c(C(F)(F)F)c2)N1 587716405 ZYGIWNRIRQLIDS-BCTVWOGZSA-N 422.647 5.884 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)F)c(Cl)c2)N1 587722846 ZYLRGJYYRFDUQO-ZKANADHPSA-N 420.656 5.467 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2Br)N1 587723950 ZWCKQRXBBURYCX-BCTVWOGZSA-N 417.091 5.113 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)CCC3)(C(C)(C)C)N1 587810153 BZQNQRSHPJYXAE-QKFKETGDSA-N 416.378 5.901 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2C2CCCCC2)N1 587821749 XICYVLKAMUYOHH-RCDICMHDSA-N 402.351 6.260 0 1 HKAF CC(C)[C@@H]1CCc2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587822688 LZTZSTJEOWVLJB-AOSWFRPUSA-N 402.351 5.584 0 1 HKAF CSc1ccc(-c2csc(-c3ccc(I)cc3)n2)cc1 587924586 DRXAYIPKQWOLNA-UHFFFAOYSA-N 409.317 5.804 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(C)cc2[nH]1 587958821 IHJZYULPYOVUBQ-WGIJKTCHSA-N 416.653 8.726 0 1 HKAF COc1ccc2c(c1OC)[C@](C)(c1cc(Cl)cc(Br)c1)N(C)[C@@H](C)C2 962561542 DARYFOQWFKZLKU-YUNKPMOVSA-N 424.766 5.260 0 1 HKAF Fc1cc(OC(F)(F)F)cc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c1 962719315 TUBJQQSPGDDUKY-AUUYWEPGSA-N 415.427 5.316 0 1 HKAF Fc1cc([C@H]2c3ccsc3CCN2Cc2cccnc2)cc(F)c1Br 962993233 AFTDWSYAZCGVTQ-IBGZPJMESA-N 421.310 5.332 0 1 HKAF Cc1ccc2oc([C@H]3N[C@H](C(=O)O)Cc4ccc(Cl)c(C(F)(F)F)c43)c(C)c2c1 963171415 BWAPENRBJXPMAY-KSSFIOAISA-N 423.818 5.410 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1([C@H](Cc1ccccc1)n1cncn1)C(C)(C)C 963241916 OUNNSUZCSJGTNN-NKPLSRDGSA-N 416.613 5.660 0 1 HKAF CCOc1cc(CNc2ccccc2)ccc1Oc1ccnc2cc(Cl)ccc12 1857541099 SXOPMRNDJUEKGJ-UHFFFAOYSA-N 404.897 6.691 0 1 HKAF O=C(Nc1c(-c2ccccc2)nc2ccccn12)NC1c2ccccc2-c2ccccc21 1857541439 IQFBWOMLIYQREE-UHFFFAOYSA-N 416.484 5.893 0 1 HKAF CC=C(C)[C@H](O)[C@@H](C)C=C(C)C=CC[C@@H](C)C=Cc1oc(OC)c(CC)c(=O)c1C 2356417952 RZWLIPXWCCRKLN-YQOVMPOYSA-N 414.586 6.024 0 1 HKAF CC(C=CC[C@@H](C)C=C1C=C(CO)C(=O)O1)=CCCc1cocc1Cc1ccoc1 2356451973 YJUBZQBWIOZXGE-LJQANCHMSA-N 408.494 5.284 0 1 HKAF C[C@@H]1[C@@H]2[C@H](c3cc(-c4cc(=O)c5c(O)cc(O)cc5o4)c(O)cc3OC2(C)C)C1(C)C 2356478869 WOEBDCLYNHDBHY-FJCUIQBMSA-N 422.477 5.124 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356669468 DDKSQIWASYXGKZ-JURGKQBESA-N 402.663 6.360 0 1 HKAF CC1(C)C(=O)[C@@H]([C@H](O)c2ccccc2)C[C@]2(C)[C@H]1CC[C@]13C=C[C@@H](C[C@@H]12)[C@@](C)(O)C3 2356671988 RLGBUTVIBWFTRW-QNJSRWLLSA-N 408.582 5.085 0 1 HKAF CCCC[C@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356807664 XZSOHMWSWMSLPQ-FRHVDKBWSA-N 402.619 5.581 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CC[C@@]1(C)[C@@H]2CC=C[C@H](C)[C@@]2(C)CC[C@H]1C 2356814290 BZPUVAUDVNJIJI-PHJZJKEYSA-N 423.649 5.654 0 1 HKAF O=C(Nc1ccc2ccccc2c1)N[C@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O 199717975 WHLPCRNOGAVTCT-QFIPXVFZSA-N 421.928 5.196 0 3 HKAF O=C1c2ccc3c4ccccc4n(-c4ccccc4)c3c2C(=O)N1c1ccc(Cl)cc1 1620573 WSIPNSVBXFVYBW-UHFFFAOYSA-N 422.871 6.238 0 1 HKAF O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(Cc2ccccn2)n1 13534786 BYEYRIKXEYOFAF-UHFFFAOYSA-N 424.287 5.665 0 1 HKAF CCCCCCN(CCCCC)CCCCCCCCCCC1N(C)CCCN1C 19331730 SOEZKVHJPKDRIV-UHFFFAOYSA-N 423.774 7.163 0 1 HKAF biogenic C[C@H](c1ccccc1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 26662702 DFZGSDFUPNOHRU-NRSKXHDUSA-N 424.632 6.343 0 1 HKAF CCCCNC(=O)c1cc(/C=C/Cc2ccccc2)ccc1-c1ccc(Cl)cc1 26974641 IFUCNPNZXRQQHD-YRNVUSSQSA-N 403.953 6.793 0 1 HKAF CN1C(=O)[C@@H](Cc2ccc3ccccc3c2)N=C(c2ccccc2)c2cc(Cl)ccc21 26993591 OQBCDJKBSURKLU-XMMPIXPASA-N 424.931 5.918 0 1 HKAF COC(=O)c1c(SC)cc(-c2ccc(F)cc2)cc1-c1ccc(Cl)c(Cl)c1 27526165 ASUMVFUDZKQESA-UHFFFAOYSA-N 421.320 6.975 0 1 HKAF Fc1cccc(CO[C@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 27547882 ZTQWBNHZWSYFKN-SXOMAYOGSA-N 401.525 5.637 0 1 HKAF Cc1ccc(Cn2c(NC3CCN(CCc4ccccc4)CC3)nc3ccccc32)cc1 29569310 IFEKCCPZLRWNNY-UHFFFAOYSA-N 424.592 5.512 0 1 HKAF COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2c(C)cccc2[nH]1)C(F)(F)F 38389259 SMYUZCJLGBMSME-JOCHJYFZSA-N 423.450 5.828 0 1 HKAF Cc1c(Cn2ccnc2)c2cc(Br)ccc2n1Cc1ccccc1Cl 40846131 VRXGBURTJOCXAB-UHFFFAOYSA-N 414.734 5.659 0 1 HKAF CCCc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 43170175 AJBUBZZVUZAPMY-UHFFFAOYSA-N 420.896 6.118 0 1 HKAF FC(F)(F)Oc1cccc(-c2nnc3ccc(-c4cccc(C(F)(F)F)c4)cn23)c1 82082247 WWCQLPVNRWSMLM-UHFFFAOYSA-N 423.316 5.981 0 1 HKAF CC[C@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NC3CCCCCC3)ncnc21 82189388 UVLNUKDAQWJNTJ-INIZCTEOSA-N 411.981 6.328 0 1 HKAF CC(C)(C)NC(=O)Nc1cccc(-c2csc3c(-c4cccnc4)cnc(N)c23)c1 95596811 AISXAEUDXRJYCI-UHFFFAOYSA-N 417.538 5.528 0 1 HKAF FC(F)(F)c1cccc(Sc2ccc3nnc(-c4ccccc4Cl)n3n2)c1 95601811 SXBUFAPTAXTMJR-UHFFFAOYSA-N 406.820 5.615 0 1 HKAF O=c1cc(-c2cccc(-c3csc4ccccc34)c2)sc(N2CCOCC2)c1 101077582 JAJUMUXGQTYGTJ-UHFFFAOYSA-N 405.544 5.494 0 1 HKAF CN1[C@@H]2CC[C@@H]1[C@@H](CNc1ccnc(Br)c1)[C@@H](c1ccc(Cl)cc1)C2 101451353 DZCYWZREDUKUMT-AKHDSKFASA-N 420.782 5.176 0 1 HKAF Cc1ccc(-c2cc(C(=O)Oc3ccc(C(C)(C)C)cc3)n(Cc3ccccc3)n2)cc1 103184665 CPCCOWOYNFOGSK-UHFFFAOYSA-N 424.544 6.424 0 1 HKAF COc1ccc(OC)c([C@@H]2C3=C(O)CCCC3=Nc3ccc4nc(C)ccc4c32)c1 104049020 DNJDBRBFEJOPFJ-DEOSSOPVSA-N 400.478 5.774 0 1 HKAF CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1OC 114545213 DVCGFGFMOUUALV-FDTZCEHLSA-N 424.500 6.038 0 1 HKAF COc1cccc2nc(COc3ccc(-c4c(-c5ccncc5)cnn4C)cc3)ccc12 169324880 VQGQILDFXGFXSR-UHFFFAOYSA-N 422.488 5.285 0 1 HKAF Cc1ccc(-c2cc([C@@H](O)C[C@H]3CCCCN3)c3cccc(C(F)(F)F)c3n2)cc1 169333405 BBRUOXSEHMIAPY-VGSWGCGISA-N 414.471 5.795 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccc(C)s2)cc1)C3 195240219 WNGKSXJKUCQJJD-HVIQUVKESA-N 407.579 5.400 0 1 HKAF CCC[C@H](C)CCC[C@@H](C)C(=O)C[C@H](O)[C@H](C)C/C=C/C1=C(C)CCCC1(C)C 238737965 JSSNFOHEHRIBDT-YVFVYJCDSA-N 404.679 7.658 0 1 HKAF Cc1cccc(C)c1NC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 253782827 QAHXIOGYJOSPBU-ACFUURSCSA-N 420.597 5.155 0 1 HKAF Oc1ccc(OCc2ccc3ccccc3n2)cc1[C@@]1(c2ccccc2)C[C@H]2CC[C@H]1C2 254058100 ZKLNDDMIESNWFZ-FWMKOTLJSA-N 421.540 6.626 0 1 HKAF CC(C)C1=C2CC[C@@]3(C)[C@H](CC[C@H]4[C@@H]5[C@H]6OC[C@@]5(CCC6(C)C)CC[C@]43C)[C@@]2(C)CC1 255280541 XIZAYEJGPTUGCZ-IVHGDPCASA-N 424.713 8.187 0 1 HKAF COc1cc(-n2ccc3cccc(Cl)c32)cc2c1OCCN(Cc1cccnc1)C2 473132470 SYTCTLNEASOHAV-UHFFFAOYSA-N 419.912 5.082 0 1 HKAF CCCCc1cc(=O)oc2cc(OCc3nc4cccc(C(F)(F)F)c4[nH]3)ccc12 586918571 OMCMXRGHFCFJOI-UHFFFAOYSA-N 416.399 5.610 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3sc(-c4ccc(Cl)cc4)nc3C)nc2c1 587014843 RPEAWDYZSMVKMR-UHFFFAOYSA-N 418.747 6.386 0 1 HKAF CCc1ccc(-c2nc(-c3nc4c(Br)cnc(Cl)c4[nH]3)cs2)cc1 587015255 IWKJNSLFWOOXGB-UHFFFAOYSA-N 419.735 5.727 0 1 HKAF Cc1cc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cc1F 587086305 FGLDHZONKVTZFT-BQYQJAHWSA-N 415.299 6.041 0 1 HKAF Cc1cc(Br)cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1O 587102082 PIEMIVYNYMPJNR-UHFFFAOYSA-N 416.274 5.890 0 1 HKAF CC(C)(C)OC(=O)NC[C@@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587103001 CJHNMUZHMSDKIH-AWEZNQCLSA-N 400.478 5.001 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587124762 LVHRLJHBBXIDJJ-JYRVWZFOSA-N 424.447 6.576 0 1 HKAF Fc1c(F)c(F)c(/C=C\c2nc3cc(Cl)cc(Br)c3[nH]2)c(F)c1F 587132755 UUAAURNUUXWJDA-UPHRSURJSA-N 423.566 5.845 0 1 HKAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc(Cl)c(C)c3[nH]2)c1 587147021 FWNRTWRFPQHXGN-UHFFFAOYSA-N 410.832 5.705 0 1 HKAF CCCOc1cc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c2cc1Br 587151980 XMCLWOTUAHDSAU-SNVBAGLBSA-N 411.246 5.532 0 1 HKAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)c(C2CC2)n1 587229958 NFMDQLBVXJZBKI-UHFFFAOYSA-N 420.557 5.825 0 1 HKAF C[C@@]1(c2cnc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328963 LEALHIWOAPQNER-RXVVDRJESA-N 418.251 5.507 0 1 HKAF Nc1cccc2c1-c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331614 DWHFKFFOFPJQRB-AHKZPQOWSA-N 423.443 5.397 0 1 HKAF CC[C@@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353763 MAZULSNGQUZXFF-WSTWLONLSA-N 420.524 6.255 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4ccccc4Cl)c1)[C@@H](C2)C3=O 587419814 MCCOIIQGOGYQIC-CYFREDJKSA-N 406.865 5.416 0 1 HKAF COc1cc2c3c(c1)O[C@](c1cccnc1)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O 587421745 WZTGRLNFDZBDNH-HTAPYJJXSA-N 412.272 5.088 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccccc4C)c1)[C@@H](C2)C3=O 587445522 ZVBOVQZJAPKERS-RXFWQSSRSA-N 416.473 5.080 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(SCC(F)(F)F)cc1)CC2=O 587459561 DCWFDNBDPNHUAR-FQEVSTJZSA-N 410.457 5.880 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccccc3)cc1O)CC2=O 587482375 SVSZXIPJMDTIQV-XMMPIXPASA-N 404.462 5.336 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccccc2O[C@H]1c1ccccc1 587484712 HUACJRUDOWMVGM-UIOOFZCWSA-N 414.457 5.065 0 1 HKAF O=C1C[C@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587504546 HQIWWHRAPGGYFU-AREMUKBSSA-N 420.911 6.461 0 1 HKAF C[C@]1(c2ccc(Oc3ccc(F)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587507382 MMLBCWUVIVEGBH-AREMUKBSSA-N 402.465 6.377 0 1 HKAF Cc1cc2c(cc1[C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)C(C)(C)CCC2(C)C 587527441 WFCDCKUXUHRCAV-RUZDIDTESA-N 402.578 6.929 0 1 HKAF CCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587541550 FPZALQTWVBNSMD-NFBKMPQASA-N 410.853 5.537 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cc(F)c(Cl)c1F 587553429 AYFOUXVIQIYBAM-FOIQADDNSA-N 406.743 5.166 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2cccnc2)cc1 587589239 WNYLVWHUZSCDRS-DHLKQENFSA-N 411.413 5.282 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1COc1ccccc1 587595316 RFBTUAWDQCXZNU-SQHAQQRYSA-N 424.452 5.674 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2nccc(Cl)c2s1 587616543 DNJCDUUHFKBXGV-PXNSSMCTSA-N 409.850 5.358 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCSc1ccc(Cl)cc12 587618120 MWVKYSLGJJPEPU-NFBKMPQASA-N 424.905 5.789 0 1 HKAF C[C@]1(c2cscc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619109 QUNFGUIVSKJJGA-QFBILLFUSA-N 417.280 5.093 0 1 HKAF Cc1ccc([C@H]2C[C@H]2C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587655931 IIDWJWRCZXUCLR-IEBWSBKVSA-N 416.427 5.094 0 1 HKAF Cc1cc(Cl)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1Cl 587691352 DWDHCUDIRPCQTA-XYZCENFISA-N 403.122 5.827 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OCC2CC2)N1 587700575 UYOGOZHFWPZOMF-YBTHPKLGSA-N 424.741 5.654 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3nc(Cl)ccc32)N1 587703221 GIZKTSOTMWROQO-PRWKNARSSA-N 423.757 5.387 0 1 HKAF Cc1ccccc1-c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587820917 RGCIIKDKSLPKPF-NPMXOYFQSA-N 410.330 6.187 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccccc3)o2)N1 587825579 AYBSGULSYQNEET-ZSEKCTLFSA-N 416.290 5.384 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ccsc3)n2)N1 587853872 SDYYTDLNAMOMTE-ABKXIKBNSA-N 409.349 5.397 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 587866381 ZJUVVDQAPXQUGC-VQIMIIECSA-N 406.448 5.846 0 1 HKAF O=C(Nc1cccnc1)N1CCC(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 653826106 UQQRKBSIKSUFPE-UHFFFAOYSA-N 421.928 6.014 0 1 HKAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](c2ccc(Cl)c(F)c2)(C2CCCCC2)N1 962906185 XDDVDRYQSQUIOK-UNMCSNQZSA-N 405.872 5.041 0 1 HKAF Cc1c(C)c2ccc(OC[C@]3(C)c4ccc(F)cc4C[C@H]4CCCN43)c(C)c2oc1=O 963113245 SPZDJRZNZYTVHY-FQRUVTKNSA-N 421.512 5.172 0 1 HKAF O=C(O)c1ccc(-n2nc(Oc3c(Cl)cccc3Cl)c3cccc(F)c32)cc1 1772582850 MHXMSPAFEGEWMP-UHFFFAOYSA-N 417.223 5.962 0 1 HKAF COc1cncc(C2=CC[C@H]3[C@@H]4CC[C@@H]5C[C@@H](NC(C)=O)CC[C@]5(C)[C@H]4CC[C@]23C)c1 1772613462 VAVSFVKKJBRYDG-SVBWJPSSSA-N 422.613 5.631 0 1 HKAF CCCCCc1cccc(OC2CN(c3nc4ccc([C@H](C)NC(C)=O)cc4o3)C2)c1 1772653897 HIDSUWDCKXDXGS-KRWDZBQOSA-N 421.541 5.025 0 1 HKAF COc1cc(CNCCc2c(C)[nH]c3ccc(-c4ccccc4)cc23)cc2c1OCO2 1857536870 RGKSADRETBLSOW-UHFFFAOYSA-N 414.505 5.213 0 1 HKAF CC(=O)Oc1ccccc1/C=C/c1ccc2c(Cl)cc(Cl)c(OC(C)=O)c2n1 1857559373 RNQRGQKKMSORKP-BQYQJAHWSA-N 416.260 5.563 0 1 HKAF O=C(O)c1ccc2c(c1)N(CC1CCC1)C[C@H](c1ccc(Cl)cc1Cl)CO2 1857588915 FLTAOBQLOVJBJL-HNNXBMFYSA-N 406.309 5.474 0 1 HKAF Clc1ccc(N2CCN(CCOc3ccc4ccccc4c3)CC2)c(Cl)c1 1857771688 OBWGUMVVLDVRPZ-UHFFFAOYSA-N 401.337 5.348 0 1 HKAF CC(C)CC=C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356409305 FHHFCZVBBXBYQL-KEEQCGGNSA-N 416.646 5.539 0 1 HKAF CC(CC(=O)CC(C)C)=C1CC[C@@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC[C@@]12C 2356423040 LVHAXINBKWVAEE-OSHPZZKZSA-N 414.630 5.603 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc2c(c1O)C(=O)[C@@H](c1ccc(O)cc1O)CO2 2356595411 FXULBICJYGBORJ-LJQANCHMSA-N 424.493 5.103 0 1 HKAF C[C@H](CO)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356651156 DBSJYKLREKUIIH-PJZDMSPASA-N 420.678 5.412 0 1 HKAF O=C(O)CCc1ccccc1-c1cc(-c2ccccc2OCc2ccccc2)cs1 13554036 CRYKVNWLVHWHOH-UHFFFAOYSA-N 414.526 6.678 0 1 HKAF CC(C)N(C)C(=O)Cn1c(-c2ccccc2)c(C2CCCC2)c2ccc(C(=O)O)cc21 13646628 ODUPBQDLVFZYMO-UHFFFAOYSA-N 418.537 5.531 0 1 HKAF c1ccc(-c2ccc3c(-c4cc5cc(CN6CCCCC6)ccc5[nH]4)n[nH]c3c2)cc1 14949268 PRNXBLOZTIGXJB-UHFFFAOYSA-N 406.533 6.364 0 1 HKAF Cc1ccc([C@H](O)[C@H]2CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)cc1 28389947 LFTDMBYAYYEBDL-AFESJLNVSA-N 402.513 5.799 0 1 HKAF CSc1nc2sc3ccccc3c2c(=O)n1-c1ccc(OC(F)(F)F)cc1 28949294 OYKZWFQTXQGFQO-UHFFFAOYSA-N 408.426 5.221 0 1 HKAF Cc1cc(C)c2oc(-c3ccc(-c4ccc(C(=O)O)cc4Br)[nH]3)cc2c1C 29468071 VLXQIZBNVLKUGF-UHFFFAOYSA-N 424.294 6.481 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4C[C@H](F)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1 40423827 WJJFDQUIJFKNJU-FFLZKFAYSA-N 412.545 5.772 0 1 HKAF O=C(O)c1ccc(-c2ccccc2-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1 40918599 SARGRPSHOSCYAL-UHFFFAOYSA-N 424.540 6.892 0 1 HKAF CN1CCC(COCc2cc(C(F)(F)F)cc(C3CC3)n2)(c2ccccc2)CC1 43207046 FHFZPUAWDJVXHA-UHFFFAOYSA-N 404.476 5.158 0 1 HKAF COc1ccc2c(Nc3c(Cl)cncc3Cl)nccc2c1OC1CCCC1 49088968 PHIWHTOIEFIDDA-UHFFFAOYSA-N 404.297 6.010 0 1 HKAF Oc1ccccc1/C=C/c1nc2ccccc2nc1SCc1nc2ccccc2[nH]1 71295868 GRYGQSXLXORCMU-BUHFOSPRSA-N 410.502 5.674 0 1 HKAF CN(C)c1ccc(-c2ccc(-c3ccc(-c4nc5cccc(O)c5[nH]4)cc3)cc2)cc1 73258804 NHMCISZXESUZDG-UHFFFAOYSA-N 405.501 6.336 0 1 HKAF O=C(Nc1ccc(F)cc1)N1CCc2sccc2[C@@H]1c1ccc(C(F)(F)F)cc1 84654146 WYNBWGVBDVSVCT-IBGZPJMESA-N 420.431 6.086 0 1 HKAF Cc1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)OCC[C@H]2[C@@H]1SC(=O)NC1=O 88342348 SGHUCSVYRLZAQT-PBHICJAKSA-N 423.412 5.024 0 1 HKAF COc1ccc(NC(=O)Nc2cccnc2Oc2cccc(C(F)(F)F)c2)cc1 95592969 ZRWUIFOCXAHZKA-UHFFFAOYSA-N 403.360 5.545 0 1 HKAF Fc1ccc(-c2nc3ccccn3c2-c2cccc(-c3cc4ccccc4o3)c2)cc1 96927581 MIWWXGQZYZVVSD-UHFFFAOYSA-N 404.444 7.221 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 101065014 IKIJKOANNGAZST-XUTJKUGGSA-N 412.549 6.584 0 1 HKAF Cc1cc(N)c2cc(NC(=O)c3ccc(-c4cccc5cccnc45)cc3)ccc2n1 103236387 RCNCHPFUXGOZGH-UHFFFAOYSA-N 404.473 5.593 0 1 HKAF CCOc1cccc(N2[C@@H](c3ccccc3)[C@]23C(c2ccccc2)=Nc2ccccc23)c1 103276183 LWSQUDITYPSJAA-MYABOAQRSA-N 416.524 6.677 0 1 HKAF CC[C@H](C)Nc1ncc(C(=O)N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccccc2F)n1 105178351 KSEJIORGIAFDGT-DQIRPTDVSA-N 424.564 5.294 0 1 HKAF CN(c1cccc(C(=O)c2ccccc2)c1)S(=O)(=O)c1ccc(Cl)cc1Cl 169326009 BIRCEWHGCQRSRF-UHFFFAOYSA-N 420.317 5.050 0 1 HKAF C/C=C(\C)[C@H](O)[C@@H](C)/C=C(\C)C/C=C/C(C)=C/Cc1nc(OC)c(OC)c(O)c1C 238778966 ZQLBCAUKNYXILZ-LIWZISJUSA-N 415.574 5.457 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CCC2=C3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 255285021 YQQOGXLLGWWKQH-RIRNOAQMSA-N 414.718 8.169 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@H](C)[C@H]1CC3 261519760 KLZWTHGLLDRKHD-ZDHSGPMYSA-N 412.702 8.089 0 1 HKAF Cn1cc(-c2ccncc2)c(-c2ccc(OCc3cc(F)c4ccccc4n3)cc2)n1 473149156 IFZCOOASNFNYRA-UHFFFAOYSA-N 410.452 5.415 0 1 HKAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 586885151 AEONIFXCHAQYGW-MGPLVRAMSA-N 413.237 5.490 0 1 HKAF Cc1nc2c(C)ccc3c2c(c1Cc1ccc(Cl)c(Cl)c1)-c1ccccc1C3=O 586992153 DYDWURVYUUEEGT-UHFFFAOYSA-N 418.323 6.961 0 1 HKAF Clc1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cc1Cl 586997277 BJVCHAGDEWGQOF-UPHRSURJSA-N 412.070 5.531 0 1 HKAF CCCCOc1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2cc1Br 587037498 VXZLFTRXLDIAJR-QGZVFWFLSA-N 421.360 5.422 0 1 HKAF COc1cc(/C=C/c2nc3cc4ccccc4cc3[nH]2)cc(Cl)c1OCC(C)C 587047054 SHRSUTQVYBQSFA-CMDGGOBGSA-N 406.913 6.583 0 1 HKAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(I)cc2[nH]1 587063003 ZCEFSQWKMOODOT-CQSZACIVSA-N 412.658 5.351 0 1 HKAF O=C(c1ccccc1)c1ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2c1 587075459 DUDBCLKACPVVDB-UHFFFAOYSA-N 409.876 6.176 0 1 HKAF Cc1ccc2c3c(c4c(nc13)C(CC(=O)O)=C(c1ccccc1)C4)-c1ccccc1C2=O 587099946 ALBDJDBGEOLAST-UHFFFAOYSA-N 417.464 5.696 0 1 HKAF Fc1cncc(Cl)c1Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587176076 LTUASDXWXCNLSU-UHFFFAOYSA-N 424.579 5.002 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(SC4CCCC4)cc3)nc3cccc1c23 587208522 BFOMTDXIURKTFH-UHFFFAOYSA-N 407.538 7.148 0 1 HKAF CC(C)(C)[C@@]1(Cc2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349220 TXZATIPBMOYWLF-DHLKQENFSA-N 405.469 5.313 0 1 HKAF CCCC[C@H](C(=O)OCC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349701 QKLGCEOLDMCBHF-ZILOHOTNSA-N 414.473 5.018 0 1 HKAF O=C1c2ccc(O)cc2OC2(CCC(O)(c3ccccc3)CC2)[C@H]1c1ccc(F)cc1 587356870 RVHTWDVKLHFZJX-XPWZEYHZSA-N 418.464 5.091 0 1 HKAF COc1cccc(-c2cc(-c3ccc4ccccc4n3)nc3c2oc2ccccc23)c1 587364118 XICVYDMVADPPGP-UHFFFAOYSA-N 402.453 6.872 0 1 HKAF COc1cccc(-c2cc(Cn3nnc4ccccc43)nc3c2oc2ccccc23)c1 587364668 ZUOQWMIGHLWEDJ-UHFFFAOYSA-N 406.445 5.450 0 1 HKAF CSc1ccc2c(c1)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587372584 FKVVWMNKIOXOFW-UKILVPOCSA-N 420.505 5.844 0 1 HKAF COC(=O)c1ccc(-c2cccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)cc1F 587384121 ARPULOCIWKTFTH-RUZDIDTESA-N 419.452 5.051 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccccc1-c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587421630 VJQMDIDRWJNSOR-GAJHUEQPSA-N 411.284 6.158 0 1 HKAF CCCC[C@@]1(c2cc(Br)ccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423056 IFHKWJSLNVYWLH-IERDGZPVSA-N 419.290 5.430 0 1 HKAF CCC[C@@]1(c2ccc(Br)cc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587426407 NCAUCSFQSQOIQK-QRWLVFNGSA-N 405.263 5.040 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)([C@@H](C)Oc1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O 587441334 SHUMQTBZERHXNG-BVRTZSTKSA-N 400.474 5.336 0 1 HKAF O=C1C[C@@H](c2ccnc3cc(Br)ccc23)Oc2c1ccc1c2CCCC1 587496533 HYCTXLUUGOXDON-NRFANRHFSA-N 408.295 5.583 0 1 HKAF CC(C)[C@@]1(Cc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545606 HNPRCTCHTRJVSJ-ZJSXRUAMSA-N 408.881 5.645 0 1 HKAF CCCC[C@]1([C@@H]2CCOC(C)(C)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605671 AHQJOPHDLZTOGI-FTGWLVSGSA-N 410.510 5.488 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2c(C3CC3)c(-c3ccc(Cl)cc3)[nH]c2c1 587626567 STUIZQWLSWACMT-UHFFFAOYSA-N 403.753 7.403 0 1 HKAF CCOC(=O)c1c(-c2ccccc2Br)[nH]c2ccc([C@@H](C)CC)cc12 587639480 XLSTXTLAMLHOAB-ZDUSSCGKSA-N 400.316 6.288 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(C(F)(F)F)cc2Cl)N1 587716476 VNRXAHWQYSHBOO-ZIDLFYJRSA-N 423.635 5.279 0 1 HKAF Cc1ccc(-n2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1C 587756691 DXTUDMGJWBCWES-SZNDQCEHSA-N 414.322 5.014 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)O[C@H](C)c2ccccc2)N1 587795577 QZNTWFQXIKMXFX-LKBUQDJMSA-N 420.322 5.032 0 1 HKAF CC[C@]1(c2ccc(OC(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587797448 XBFNHBWBCAYADK-SPLOXXLWSA-N 406.339 5.563 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(ccc4ccccc43)o2)N1 587834071 PVPHWZQVULSVBA-ZLOXQWCVSA-N 424.313 6.285 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)sc2Cl)N1 587844353 NDRMFZBRPNTPFC-ZIDLFYJRSA-N 409.151 5.754 0 1 HKAF C[C@@H](Cn1cccn1)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923006 LNTSAIVDAXSRHK-HNNXBMFYSA-N 402.498 6.098 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cnccc2[nH]1 587958149 BBLUNHGHNQULCZ-UUQHCRCUSA-N 403.614 7.812 0 1 HKAF COc1ccc(C2=NN(c3ccc(-c4ccccc4)nn3)[C@H](c3ccc(F)cc3)C2)cc1 653713195 AHOUCXPHWRADAL-VWLOTQADSA-N 424.479 5.647 0 1 HKAF CCN(CC)CCN1CCC2(N(C)C)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 653862738 HBLUYRQMOSSYET-XPALAHHGSA-N 419.657 5.064 0 1 HKAF CCOC(=O)CCCC[C@@]1(c2c(F)cccc2Cl)NCCc2cc(C)c(F)cc21 962147326 OUBFULPVTKRVFX-HSZRJFAPSA-N 421.915 5.439 0 1 HKAF COc1ccc2c(c1OC)[C@@H](c1cccc(-c3ccc(C(=O)O)cc3)c1)N(C)[C@@H](C)C2 962634604 UNDQRYJXASHFLE-UPCLLVRISA-N 417.505 5.035 0 1 HKAF N=c1n(Cc2ccc(F)cc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 1772585290 SELZDNVSTPJYPU-UHFFFAOYSA-N 400.284 5.465 0 1 HKAF Clc1ccc(-c2nc3occn3c2CNCCc2ccc(Cl)c(Cl)c2)cc1 1857535823 ZKJHXHLEWXBJLJ-UHFFFAOYSA-N 420.727 5.887 0 1 HKAF C(=Cc1ccc(-c2cn3cc(C=CC4=NCCS4)ccc3n2)cc1)C1=NCCS1 1857621908 PIPMWBLCKNUNAI-UHFFFAOYSA-N 416.575 5.318 0 1 HKAF FC(F)(F)c1cccc(-c2nc3cc(Nc4cccc(C(F)(F)F)n4)ncc3[nH]2)c1 1857643648 MTDXHCLSRNKKQP-UHFFFAOYSA-N 423.320 5.801 0 1 HKAF Fc1cccc(-c2ccccc2N2CCN(CCc3c[nH]c4ccc(F)cc34)CC2)c1 1857773066 XQJJMSAULHQJSQ-UHFFFAOYSA-N 417.503 5.478 0 1 HKAF CCCCC[C@@H]1C[C@@H]2[C@H](NC)CC[C@@]34C[C@@]2(C1)[C@@H]3[C@H](O)C[C@@]1(C)CCC[C@@]4(O)C1 2356367853 JEJWGRWLISTUJH-YKVGQIRRSA-N 403.651 5.043 0 1 HKAF CC(C)=CCC(=O)[C@@H](C)CCCC(C)=CCC[C@]1(C)CCc2cc(O)cc(C)c2O1 2356621839 RYPIDQSBZKCZIV-KDYSTLNUSA-N 412.614 7.243 0 1 HKAF CC(=CCc1c(O)c(Cl)c(C)c(C(=O)O)c1O)CCC=C(C)CCCC(C)(C)O 2356720354 YCTOLKGEIMWJTN-UHFFFAOYSA-N 424.965 5.914 0 1 HKAF C[C@H](C=CC(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 2356728897 XFAZQRAVFBWICT-AWCWYAJFSA-N 414.630 6.374 0 1 HKAF CC1=C[C@H](CNC(=O)CC(C)(C)C)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 2356835068 KNZMCGYRSGQQOE-PWRODBHTSA-N 424.589 5.081 0 1 HKAF C1=CC2=CN(C1)CCCCCCCCCCC1=CN(CC=C1)CCCCCCCCC2 2356865907 WMYCLQBSVZVHOL-UHFFFAOYSA-N 424.717 8.143 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C5(C)OCCO5)[C@@]4(C)CC[C@@H]32)C1 36386610 JTGMSUPPBUWABK-LQDRYOBXSA-N 402.575 5.260 0 3 HKAF CCCCCc1ccc(NC(=O)O[C@@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4C2)cc1 205708116 PAEICMMCNZDVHK-NIRIFSCTSA-N 412.574 5.682 0 3 HKAF CC(C)(C)c1noc(-c2ccc(F)cc2Cl)c1C(=O)NCCc1ccc(F)cc1 775573 VVPHLRUQLJOIBT-UHFFFAOYSA-N 418.871 5.543 0 1 HKAF O=C1C[C@@H](CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2[nH]c3ccccc3c21 3916060 SPBXLWNNWOLJEO-HNNXBMFYSA-N 417.484 5.073 0 1 HKAF O[C@H](COc1cccc2[nH]ccc12)CN1CCC(c2cc3c(F)cccc3s2)CC1 13490089 PGLKHSLOMTWKLM-KRWDZBQOSA-N 424.541 5.141 0 1 HKAF Fc1ccc(C(OCCC2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1 13494203 LEJRLSZVESQKJK-UHFFFAOYSA-N 421.531 6.373 0 1 HKAF CC[C@H](C)CCCCCCCCCCCCCCCCCCCCCCC(=O)O 14591989 QKVYEHVFHQOMSA-SANMLTNESA-N 410.727 9.699 0 1 HKAF biogenic,in-vitro Cc1cc(C)cc(-c2c(OC[C@@H]3CCCN(C)C3)c3cccc(Cl)c3[nH]c2=O)c1 26578530 YUKUGGBTQBRLKW-QGZVFWFLSA-N 410.945 5.186 0 1 HKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C(=O)OC)C[C@H]21 26840254 ZVAXIHRCQMBWSY-VQTJNVASSA-N 414.586 6.404 0 1 HKAF CCO[C@@H](Cc1ccc2oc(Cc3nc(-c4cccs4)oc3C)cc2c1)C(=O)O 27309217 GWZXKVVSMSBDBJ-IBGZPJMESA-N 411.479 5.081 0 1 HKAF CC1=NC(C)=C(C(=O)O)[C@H](c2cccc(Cl)c2)/C1=C(\O)OC/C=C/c1ccncc1 28568458 PILPHPXQNHOVSI-QPBXAGQPSA-N 424.884 5.151 0 1 HKAF Cc1ccc(-c2ccc3c(c2)c(CC(N)=O)cn3Cc2ccc3ccccc3c2)cc1 28888235 KRKSOIZMEWSHBN-UHFFFAOYSA-N 404.513 5.846 0 1 HKAF O=C1C[C@@H](c2ccc(Cl)c(Cl)c2)c2c(ccc3cc(Br)ccc23)O1 29136186 QFICNEBMOVCJPI-AWEZNQCLSA-N 422.105 6.350 0 1 HKAF Cc1cc(Cl)ccc1/C(=C/CC[C@H]1CCC=C(C(=O)O)C1)c1sccc1C 29464559 UOAZFNOWJBVVFJ-CNSYBHNRSA-N 400.971 7.041 0 1 HKAF CN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)c1ccc(C(C)(C)C)cc1 35190732 INJVPMDWUJZWCN-UHFFFAOYSA-N 409.961 5.760 0 1 HKAF COc1ccc(CC(C)(C)NC[C@H](COc2cccc(Cl)c2Cl)OC)cc1 40422046 GLXMMOOGCALSDK-QGZVFWFLSA-N 412.357 5.007 0 1 HKAF O=S(=O)(c1ccc(Cl)s1)N1CCCCC(c2ccc(Cl)c(Cl)c2)=N1 40763438 UPCFEJJAMOUHOV-UHFFFAOYSA-N 423.774 5.287 0 1 HKAF Cc1cc(NCCc2ccc(O)cc2)nc(NCC(c2ccccc2)c2ccccc2)n1 45167597 GJYGJJLUIGRAQQ-UHFFFAOYSA-N 424.548 5.389 0 1 HKAF CC(=O)N[C@@H](C)c1ccc(-c2ccc(Oc3cccc(Oc4ccccc4)c3)cc2)cc1 45323189 DHWLHEZSZUAUCO-FQEVSTJZSA-N 423.512 7.135 0 1 HKAF CCc1cc2c(=O)n(CCc3ccccc3F)c(-c3ccccc3O)nc2cc1C 49047351 NWTFEEUZKJXPLN-UHFFFAOYSA-N 402.469 5.022 0 1 HKAF CCCN(Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)ccn12)CC1CC1 49089635 WHADFMBWJJJSBG-UHFFFAOYSA-N 418.507 5.691 0 1 HKAF O=c1oc2ccc(Br)cc2c(=S)n1Cc1ccc(Cl)c(Cl)c1 53297456 UGFKETHHXRQZIZ-UHFFFAOYSA-N 417.111 5.442 0 1 HKAF COC(=O)C(C)(C)[C@@H](c1ccc(Oc2ccc3ccccc3c2)cc1)n1ccnc1 71316206 CHHVTDCSQGINRS-HSZRJFAPSA-N 400.478 5.617 0 1 HKAF O=C1[C@H](c2ccccc2Cl)C[C@@H](c2ccccc2Cl)C(=O)N1Cc1ccccc1 73197423 FLHRKKAPUNVUEY-PMACEKPBSA-N 424.327 5.820 0 1 HKAF O=C(Cc1ccc(Cl)cc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 73224819 PRQRHFISGKWDKJ-UHFFFAOYSA-N 420.940 5.019 0 1 HKAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccccc3F)n2)C1 82150991 XQXWKNBREYZMHA-RQXXJAGISA-N 424.564 5.074 0 1 HKAF O=C(O[C@@H]1CCCN(C(=O)CCc2ccccc2)C1)c1ccccc1-c1ccccc1 82157091 DVAAHLXTTJERQG-HSZRJFAPSA-N 413.517 5.134 0 1 HKAF CCCCCc1nc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccccc2)oc1C 82162982 ZTRAPXGJPCQFCL-KDURUIRLSA-N 418.585 6.322 0 1 HKAF CC1(C)C[C@H](NCCc2ccccc2F)c2cc(C(=O)NC3CCCCC3)ccc2O1 82177807 KAXVCISHEGRASM-QHCPKHFHSA-N 424.560 5.323 0 1 HKAF CC[C@@H](C)Cn1c(C[C@@H](C)c2ccccc2)nc2c(NCc3cccs3)ncnc21 82178866 UFACMQZYMURERQ-QZTJIDSGSA-N 419.598 5.892 0 1 HKAF CO[C@H]1Cc2c(-c3ccc(C)cc3)csc2C2(CCN(Cc3ccccc3)CC2)O1 95557764 GLBRVWCLOHSDAT-XMMPIXPASA-N 419.590 5.760 0 1 HKAF Cc1ccccc1-c1cnc2n1CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2 95565052 KTVACUKXORIBPZ-UHFFFAOYSA-N 419.834 5.187 0 1 HKAF O=C(O)[C@@H]1CCCN(CCC/C=C/c2ccccc2-c2ccc(Cl)cc2Cl)C1 95596866 VLYVVKVWOZWWGI-QWJDCGKQSA-N 418.364 6.250 0 1 HKAF Brc1cccc(Sc2ncccc2OCCCCc2ccncc2)c1 96914161 BQCKCUTYXOSMJY-UHFFFAOYSA-N 415.356 5.792 0 1 HKAF Clc1ccc(-c2nc([C@@H]3CC(c4ccccc4)=NN3c3ccccc3)no2)cc1 96914452 KZIPRSQHFKUGDR-NRFANRHFSA-N 400.869 5.746 0 1 HKAF CCOC(=O)c1oc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2c1C 96933633 ZBAYEVYYPCLWCU-UHFFFAOYSA-N 416.473 6.076 0 1 HKAF Cc1nc([C@@H]2CCOC2)n2c1sc1cc(OCc3ccc4ccccc4n3)ccc12 103244735 MUIMFGAVSXVUQB-QGZVFWFLSA-N 415.518 5.489 0 1 HKAF CCCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3cc4c(cc32)OCO4)cc1 103656992 LQFCXTIDYZUQPJ-HSZRJFAPSA-N 405.494 6.054 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 119291504 WOVIRZFRRNEFES-LSLRJNOFSA-N 414.718 8.313 0 1 HKAF in-man CN1C[C@H](N(C)Cc2ccc(F)cc2)CC[C@H]1C(c1ccccc1)c1ccccc1 169349111 LYUZMHHNZPYBFH-FTJBHMTQSA-N 402.557 5.552 0 1 HKAF Cc1ccc(C2=NN(c3nc(O)cs3)[C@H](c3ccc(Br)cc3)C2)cc1 169726245 HZRHRWXQWZWELB-KRWDZBQOSA-N 414.328 5.275 0 1 HKAF O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2ccc(Cl)cc2)c1 216052872 GPRPGLJMEFUNMD-UHFFFAOYSA-N 423.343 6.038 0 1 HKAF Cc1nc(-c2cc(C(=O)N3CCC(c4ccc(Cl)cc4)CC3)ccc2C)c(C)[nH]1 220796126 MUPHFRGZJOATDV-UHFFFAOYSA-N 407.945 5.675 0 1 HKAF O[C@@H]1CN2CCC/C=C\CCCCCC3=C[C@@H]4CN5CCCC/C=C\CC[C@@](C2)([C@H]14)[C@@H]35 238788425 SVFQETJDDGVUQV-XKSZOQIRSA-N 424.673 5.327 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 247648319 LGJMUZUPVCAVPU-NQCRFQHTSA-N 416.734 8.105 0 1 HKAF N=c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccccc2)[nH]1 473155272 RBDZBWPJFMFPMC-UHFFFAOYSA-N 403.485 5.955 0 1 HKAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 586916342 LKYYUIPKWNELGY-YJYMSZOUSA-N 419.706 5.195 0 1 HKAF Cc1ccc2c3c(c(CCc4cccc(C(F)(F)F)c4)cnc13)-c1ccccc1C2=O 586992677 INLPEXXKNMEDSJ-UHFFFAOYSA-N 417.430 6.559 0 1 HKAF CC(C)Oc1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1 587057924 WTULXYYTYOGDPD-UHFFFAOYSA-N 417.292 6.496 0 1 HKAF N=C(N)c1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587070795 JMAILBFTSRTIIX-IZZDOVSWSA-N 402.885 5.250 0 1 HKAF COC(=O)c1ccc2nc(-c3ccc(F)c(-c4ccc(C(C)=O)cc4)c3)[nH]c2c1OC 587139287 GIPFQJXRHNFJCZ-UHFFFAOYSA-N 418.424 5.034 0 1 HKAF Oc1c(Br)ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 587164776 XBXCYYYWGSQSIA-JLHYYAGUSA-N 415.287 5.821 0 1 HKAF COc1ccc2c(c1)C=C(c1nc3cccc4c3c(c1C)-c1ccccc1C4=O)CO2 587209966 YRCFITWTXMQHKZ-UHFFFAOYSA-N 405.453 5.696 0 1 HKAF O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1coc2ccc(Cl)cc12 587278626 PKHBTTVXRQKLJX-UHFFFAOYSA-N 406.709 6.549 0 1 HKAF C[C@]1(CCc2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329677 FFPKNVTYRYWVTD-LADGPHEKSA-N 412.407 5.560 0 1 HKAF CCCCC[C@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330343 BJNVZECXNVYZKL-AZGAKELHSA-N 419.496 5.948 0 1 HKAF CCC[C@]1(c2cn(CC)nc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342619 OMPCGCXSFJBHPY-ISKFKSNPSA-N 408.473 5.111 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccc(Br)c1)O2 587377980 QZCFFRDFOBHCGB-QFIPXVFZSA-N 408.295 5.249 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(-c4ccccc4)c(C(F)(F)F)s1)[C@@H](C2)C3=O 587419634 DECAZXMUXOSUOF-YWZLYKJASA-N 416.420 5.931 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1nc3ccccc3[nH]1)(c1cccs1)CC2=O 587495111 PBBWODKWGNVHKJ-DEOSSOPVSA-N 418.518 5.386 0 1 HKAF O=C1C[C@@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)Oc2c1ccc1c2CCCC1 587510725 ZTXDRVSFGYQRFI-QFIPXVFZSA-N 413.300 6.839 0 1 HKAF CC(C)(C)OC(=O)n1ccc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc21 587513514 BAHVFQSRVJLXOA-QHCPKHFHSA-N 417.505 6.010 0 1 HKAF CCOC(=O)[C@H](C(C)C)[C@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587523687 MDMVEWXCICAKPE-IGKIAQTJSA-N 420.549 5.347 0 1 HKAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc12 587602119 WIWDENWXEYAHLC-JYFHCDHNSA-N 412.441 5.431 0 1 HKAF Cc1c(C)c(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1C 587604344 VMEQOLXVNGRZQQ-JYFHCDHNSA-N 402.490 5.811 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccc(C(F)(F)F)cc2)N1 587717953 YFCSSFFUQLOPQX-KDXHWZMMSA-N 414.240 5.896 0 1 HKAF Cc1cc(OC(F)(F)F)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587722987 UNZKFVYPBLJAKF-QGHHPUGFSA-N 418.228 5.419 0 1 HKAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)cc1 587784216 FWCPAHROYBPZCG-VQTJNVASSA-N 400.503 5.658 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](OCc3ccccc3)C2(C)C)N1 587809534 ISRJORBERPTCFG-GHNFSYLKSA-N 418.350 5.333 0 1 HKAF Cc1cc(C)c2c(c1)CC(C)(C)C[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587824632 XXPLVBIRIBPYDA-WNSKOXEYSA-N 416.378 5.955 0 1 HKAF CC/C=C\C[C@H]1[C@H](CC(=O)O)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587829624 RNYXARJDJOEHIY-DUOYFEMOSA-N 424.354 5.175 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3cccs3)n2)N1 587853754 RKDPZYBSULFWLY-FVMDXXJSSA-N 409.349 5.397 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Nc1cc(F)cc(F)c1 587854499 GAOMXCABQWGXOK-UHFFFAOYSA-N 412.223 5.614 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 587858124 CYBCIHDTTBBAPS-HNAYVOBHSA-N 407.341 6.134 0 1 HKAF O=C(c1[nH]c(-c2ccccc2)cc1-c1ccccc1)n1nc2cc1Oc1ccc(F)cc1-2 587876532 SYODUQVPMCYRGE-UHFFFAOYSA-N 421.431 6.146 0 1 HKAF COc1ccc(-c2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)cc1OC 587928293 BFAYIVPTROHQAI-UHFFFAOYSA-N 410.271 5.072 0 1 HKAF COc1ccccc1-c1ccc(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)cc1 587933027 SVIWMWSGTIZVTA-UHFFFAOYSA-N 423.266 5.366 0 1 HKAF COc1cccc(-c2cc(O)n(-c3cc(OC(C)C)c(Cl)cc3Cl)c2O)c1 587943062 KFHCCRLJFMFZEN-UHFFFAOYSA-N 408.281 5.658 0 1 HKAF Clc1ccc(Oc2nc(NCc3ccco3)c3cc(Cl)ccc3n2)c(Cl)c1 653766928 GUDINIUSGMZTHX-UHFFFAOYSA-N 420.683 6.587 0 1 HKAF C[C@@H]1CC[C@@H]2C=C3CC[C@H](CCCCCCCCCCCC(=O)O)N3[B-](F)(F)N12 914431429 NPOWJWDCKUAFLV-HSALFYBXSA-N 411.366 5.952 0 1 HKAF Cc1cccc(C)c1CC[C@]1(c2ccc(F)c(F)c2)NCCc2nc3ccccn3c21 962985513 PJIRPUTXZSYEKE-AREMUKBSSA-N 417.503 5.251 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccccc1N1CCC(C(=O)OCC)CC1 963238144 HWIAHHMPRMXVPI-FNZWTVRRSA-N 420.597 5.212 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCc1cccc(C)c1)c1cc(C)ccc1C 963256846 GBZGBHKXCMCTEM-FYBSXPHGSA-N 411.633 7.145 0 1 HKAF COc1ccc2nc(-c3cccc(Oc4ccccc4)c3)cc(-c3ccccc3)c2c1 1772580058 OARBQUOYXPVAED-UHFFFAOYSA-N 403.481 7.370 0 1 HKAF CC(=O)N[C@H](C)c1ccc(CN2CCc3c(ccc(OCC(C)C)c3Cl)C2)cc1 1772632576 XXMUDJKDMVCDAH-QGZVFWFLSA-N 414.977 5.130 0 1 HKAF c1ccc2c(CCNCc3ccc(CNCCc4c[nH]c5ccccc45)cc3)c[nH]c2c1 1857599147 TYTXPTDMAYMPCH-UHFFFAOYSA-N 422.576 5.314 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356352131 NEWQKITUJNEGAS-ZDUJNYJPSA-N 414.718 7.881 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H](CCc3cc(O)ccc3C)C(=O)CC[C@@]12C)C(C)C 2356399287 ROTWMWMXABSNJC-QWHSWLMKSA-N 424.669 7.519 0 1 HKAF CC(C)=CCc1c(O)cc2oc(-c3ccc(O)cc3O)c(C=CC(C)C)c(=O)c2c1O 2356481244 JJCKBMOMTDDNBC-UHFFFAOYSA-N 422.477 5.460 0 1 HKAF CC(=CCN1[CH]N(C)c2ncnc(N)c21)CCC=C(C)CC[C@]1(C)C(C)=CCC[C@@H]1C 2356553524 DESWYACBQCTSJT-BKMJKUGQSA-N 422.641 6.270 0 1 HKAF Cc1cc2c(c(=O)o1)C[C@@H]1[C@](C)(CC[C@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@]13C)O2 2356574383 XVYAFRIRAFSVGL-JRMQFRGHSA-N 414.586 5.272 0 1 HKAF C[C@H]1CC[C@@]2(C[C@@H]3[C@@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)O2)OC1 2356629712 OEWYCDKCYLIWJV-UIEBFFBBSA-N 402.619 5.548 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CCC2=C3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356677754 XMCGXKSKUMSGOT-OMPTXQQOSA-N 400.647 6.280 0 1 HKAF CCc1nc2c(OCC3CCCCC3)cccn2c1N(C=O)Cc1ccc(OC)cc1 61906381 ILKODKUEQBMCQX-UHFFFAOYSA-N 421.541 5.027 0 3 HKAF CC(C)=CCC[C@H](C)C[C@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@@H](c2ccc(Cl)cc2)O1 95566380 AUYOLMPSHYERBZ-GZRFBZBPSA-N 418.990 5.889 0 3 HKAF O=C(O)CCCCCCCCCCCCCCC/C=C/I 5113065 PJRCYRMJRNARKY-BMRADRMJSA-N 408.364 6.871 0 1 HKAF Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@@H]2COC(c2ccccc2)c2ccccc2)N3C)cc1 13559893 PZCLLOMRKKUTII-KUXCXQDQSA-N 411.589 6.368 0 1 HKAF CCN1CC=C(c2ccccc2)[C@@H](C(=O)OCC(c2ccccc2)c2ccccc2)C1 13782819 LOEOHDIZAUWITK-SANMLTNESA-N 411.545 5.397 0 1 HKAF O=C(Nc1ccc(-c2cccc3c2CNC3=O)cc1)Nc1ccc(C(F)(F)F)cc1 14945199 YVMPCLMMNBMFFZ-UHFFFAOYSA-N 411.383 5.260 0 1 HKAF N[C@H](CC[C@@H](N)c1c(Cl)cc(O)cc1Cl)c1c(Cl)cc(O)cc1Cl 26184813 ZHBIHSVEPJVJMD-ZIAGYGMSSA-N 410.128 5.191 0 1 HKAF CCOC(=O)c1ccc(OCCCCCCCCc2c(CC)noc2CC)cc1 27849472 MSDNCVLPYBOUQB-UHFFFAOYSA-N 401.547 5.938 0 1 HKAF CC[C@@H]1C(c2ccc(C(C)=O)c(C(C)=O)c2)=C(C)c2cc(C(C)=O)c(C(C)=O)cc21 27876085 NOZVHGVBDMPFJF-IBGZPJMESA-N 402.490 5.935 0 1 HKAF CCN(CC)CCC[C@@H](C)Nc1nccc(NCc2ccc(Cl)cc2Cl)n1 28523631 STXUPEUBCKDDQA-OAHLLOKOSA-N 410.393 5.318 0 1 HKAF C/C(=C/c1ccccc1)CN(CCCCCN)C(=O)CCCc1c[nH]c2ccccc12 28825924 FKQWUEMIQYIXGE-QOCHGBHMSA-N 417.597 5.552 0 1 HKAF CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2ccc(C)cn2)nc1CC 28956446 OROWAFDBBMNLPV-JTHBVZDNSA-N 418.541 5.212 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C)C[C@H]4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C 36189454 PVJNSDNELNARLT-UTFHESGISA-N 413.690 6.950 0 1 HKAF C[C@H](NC(=O)C(C)(C)Oc1ccncc1)[C@H](Cc1ccc(Cl)cc1)c1ccccc1 36294812 IFMIHWYHYXZLKK-MBSDFSHPSA-N 422.956 5.424 0 1 HKAF CC(C)CCN1CC[C@H](NC(=O)Nc2cccc3[nH]ncc23)c2cccc(Cl)c21 38268546 ILZMLSPSCRIAII-IBGZPJMESA-N 411.937 5.335 0 1 HKAF CCCc1ccccc1OCCCOc1ccc2c(=O)cc(C(=O)O)oc2c1CCC 39213229 WPEXAQBFJCJIFG-UHFFFAOYSA-N 424.493 5.244 0 1 HKAF CC(C)=CCc1c(O)cc(O)c2c1C(=O)c1c(O)c(Cl)c(C)c(Cl)c1OC2 40408417 XCFFTGALQWABRD-UHFFFAOYSA-N 409.265 5.051 0 1 HKAF biogenic O[C@H](c1cccnc1-c1cccc(Cl)c1Cl)C(c1cccnc1)c1cccnc1 43153056 MONUPDKEKDGEQN-HSZRJFAPSA-N 422.315 5.711 0 1 HKAF Nc1c(Cl)cc([C@@H](O)CNCCCCCCCCCc2ccccn2)cc1Cl 45193174 OMSZXUNEWYVRBQ-NRFANRHFSA-N 424.416 5.567 0 1 HKAF COc1ccc(/C(C)=C(/c2ccccc2)c2cc(OC)c(OC)c(OC)c2)cc1O 45350788 QEUWTUGZINHQCH-JLPGSUDCSA-N 406.478 5.406 0 1 HKAF CN(C)[C@@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1 66111537 WQOCQKUJZPLYJO-IBGZPJMESA-N 418.537 5.377 0 1 HKAF O=C(O)CCc1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)c(Cl)c1 72113825 SEUMMXMEORQCGJ-UHFFFAOYSA-N 410.941 6.198 0 1 HKAF CC[C@@H](C)[C@H](NCc1cccc(C)c1)c1nc(-c2ccccc2)c(N2CCCCC2)o1 72186307 HPDABLZTKGCWJC-QPPBQGQZSA-N 417.597 6.517 0 1 HKAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NC2CCCCC2)nc1-c1ccc(F)cc1 82136255 FTTCEAMHBGMJFQ-IERDGZPVSA-N 410.537 5.336 0 1 HKAF CC(C)CN(C)C(=O)c1cnc(NCC2CC2)nc1-c1ccc(-c2ccccc2)cc1 82153303 JCMNRNMFYADOHJ-UHFFFAOYSA-N 414.553 5.361 0 1 HKAF COc1ccc(-c2cnc(-c3cnc(N4CCCC4)nc3-c3ccccc3)s2)cc1 82162745 FTVQJXGITQYTMG-UHFFFAOYSA-N 414.534 5.543 0 1 HKAF CCC(CC)c1nc2c(NCc3cccc(C(F)(F)F)c3)ncnc2n1CCOC 82179029 ROCDJPDYHSUZTO-UHFFFAOYSA-N 421.467 5.007 0 1 HKAF CCC(CC)c1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1C[C@@H]1CCCO1 82188788 ZVRRCRGHGBUQKV-XLIONFOSSA-N 407.562 5.125 0 1 HKAF C[C@]1(C2CCCCC2)O[C@@]2([C@H]3CCC[C@@H](Cc4ccc(O)cc4)C3)CC[C@@H]1[C@H](N)C2 85543288 TZZKJBXWDRLWGL-ZEPRMPBESA-N 411.630 5.977 0 1 HKAF biogenic,in-vitro COc1cc(C(=O)c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cc(OC)c1OC 95594303 JVZDEXCSYRCVHO-UHFFFAOYSA-N 405.425 5.231 0 1 HKAF Cc1cc(Oc2ccccc2)c(C(C)C)cc1-c1cc(C(=O)O)c2cc(F)ccc2n1 95921073 KOLKCHJGWGJCTG-UHFFFAOYSA-N 415.464 6.963 0 1 HKAF in-vitro Cc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccccc3Cl)cc2)c1 100084095 LORDUTPUSGMAQA-UBRQYEGLSA-N 417.940 5.287 0 1 HKAF Cc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SC(C)C)nc(O)c32)s1 100703423 YUQINXIGLVSYTA-MRXNPFEDSA-N 415.584 5.903 0 1 HKAF CCOC(=O)[C@H]1[C@@H](c2ccc(-c3ccc(-c4ccccc4)n3C)cc2)C[C@H]2CC[C@H]1N2 100875849 LXPFIHFWVCMHFG-FCBCXNLDSA-N 414.549 5.146 0 1 HKAF CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc(C)o2)C2=C(O)CC(C)(C)CC2=N1 102677764 LPSDBVFUKWUIJO-QHCPKHFHSA-N 404.510 5.979 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2ccc3ccccc3c2)C[C@@H](c2ccccc2)C1 103880541 UZNICGOSLMCMQZ-BTYSJIOQSA-N 416.524 7.469 0 1 HKAF CC1=C(O)/C(=C\[C@@H](C)CCC/C(C)=C\CCc2coc(Cc3ccoc3)c2)OC1=O 106563910 GOKZWKYAKOVREM-AJRCCUGXSA-N 410.510 6.421 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118937337 WOVIRZFRRNEFES-ZRMYRXRYSA-N 414.718 8.313 0 1 HKAF endogenous,in-man COc1cccc(OC)c1[C@H]1CCCCC(=O)N1Cc1cccc(-c2cscn2)c1 167593178 ZMTCNVKXOVTJKY-HXUWFJFHSA-N 422.550 5.471 0 1 HKAF C[C@H]1C[C@H]2C3=CC=C(c4cncc(F)c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCN(C)C(=O)C=C12 169236325 ZRIMUHGYPGOPDC-COZALYLLSA-N 406.545 5.411 0 1 HKAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(-c2ccc(SC)cc2)cc1 169359808 VBCBQYQOZQQZBS-MLYGIQBYSA-N 405.563 5.115 0 1 HKAF CN1CCC(c2cc3c(-c4cc(NCC5CCOCC5)ccc4F)ccnc3[nH]2)CC1 226048747 NTXRYOUSFHRQKM-UHFFFAOYSA-N 422.548 5.017 0 1 HKAF O[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN1c2ccccc2Sc2ccc(Cl)cc21 299819538 FVXMKGRYMOKOFX-PIIMJCKOSA-N 400.975 5.321 0 1 HKAF Clc1ccc(-c2ccc(-c3nccn3-c3ccc(C4CCNCC4)cc3)o2)cc1 299827308 XFSLOTUELHMEQA-UHFFFAOYSA-N 403.913 5.920 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(Br)c(C)c3[nH]2)c1 586879388 PTIVHBXYWRPNFV-UHFFFAOYSA-N 419.322 6.149 0 1 HKAF Cc1nc(COc2cccc(-c3nc4ccc(Br)c(F)c4[nH]3)c2)cs1 587020260 KOJANBDCNPZMKL-UHFFFAOYSA-N 418.291 5.475 0 1 HKAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 587038995 DBBGJMVFGWYTSH-KRWDZBQOSA-N 411.527 5.124 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4[nH]c(-c5ccc(Cl)cc5)nc4c3)o2)cc1 587068507 BWZQKFXLAQIXRA-UHFFFAOYSA-N 402.841 5.609 0 1 HKAF N=C(N)c1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587070172 SWNYDEIQCNVOSE-SDXDJHTJSA-N 400.913 5.674 0 1 HKAF FC(F)(F)c1cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2cc1Cl 587083387 QZOGJKUSEFTKTP-UHFFFAOYSA-N 416.617 6.757 0 1 HKAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc(C(C)(C)C)c2[nH]1 587114027 UFFQIWPWHWKEQB-NRFANRHFSA-N 403.448 5.279 0 1 HKAF CC(C)COc1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1Br 587150297 BXXGYDSTTQNRCX-QWHCGFSZSA-N 421.285 5.910 0 1 HKAF O=C1C[C@H](c2nc3ccc(Oc4ccccc4)cc3[nH]2)CN1Cc1ccc(F)cc1F 587151433 ZOMZHGQTMOIGOO-INIZCTEOSA-N 419.431 5.150 0 1 HKAF CCCCOc1cc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2cc1Br 587173971 LENCTJQMSUTGTQ-SFHVURJKSA-N 405.267 5.320 0 1 HKAF Fc1cc(Cl)cc2nc(-c3cc(I)ccc3Cl)[nH]c12 587182526 IPWRXKFPHWSIIP-UHFFFAOYSA-N 407.013 5.280 0 1 HKAF C[C@@]1(CCc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327167 FHYRTMCIAGBKAW-UPVQGACJSA-N 410.872 5.935 0 1 HKAF CC(C)COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587345543 FTDXFFMDCDKPKM-AZGAKELHSA-N 420.480 5.840 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(cccc2NC(C)=O)C3)c1 587362037 DSTFXSGHKSNGAL-UHFFFAOYSA-N 420.468 6.186 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@@H]3c2ccccc2)c1 587367845 XXPITMNXTJCRRK-JOCHJYFZSA-N 419.480 6.304 0 1 HKAF C[C@]1(c2cnc3ccsc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587375131 RDBQWZDTTMPJMW-FYYLOGMGSA-N 405.450 5.415 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3ccc4ccccc4c3)cc1)O2 587397773 BAVQDGSVFMZUIX-SANMLTNESA-N 409.485 6.016 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(CCc1c(C)nc4c(C)cccc4c1Cl)[C@@H](C2)C3=O 587424455 ZPBBDCLTSYAOJR-UQBPGWFLSA-N 421.924 5.653 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(COc4ccc(F)c(Cl)c4)o1)[C@@H](C2)C3=O 587425680 GFGNHWVLOFKLPO-OYHNWAKOSA-N 414.816 5.148 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(F)(F)F)c(OCC)c1)CC2=O 587459584 DIZYBIHCTVAMLB-LJQANCHMSA-N 424.415 5.391 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCc1ccccc1)(Cc1ccccc1)CC2=O 587489986 QIXARMGXOWOBMF-MHZLTWQESA-N 400.518 5.924 0 1 HKAF O=C1C[C@]2(C[C@H](c3ccc(F)cc3)Nc3ccccc32)Oc2c1ccc1c2CCCC1 587502175 BSDDGVLAVFIGMH-SQHAQQRYSA-N 413.492 6.122 0 1 HKAF C=CC(=O)Oc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520749 BTBUYNRVPRRKCY-MUUNZHRXSA-N 424.496 5.566 0 1 HKAF CC(C)(C)C[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569709 IXHSNTBZYRQUDI-PXDATVDWSA-N 406.453 5.825 0 1 HKAF Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1Cl 587697446 WESYERKQYFRGBQ-XYZCENFISA-N 403.122 5.827 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2OC(F)(F)F)N1 587717065 FGFVYWAYSIBKIH-DYZYQPBXSA-N 418.228 5.285 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc3nc(C(C)(C)C)oc23)N1 587779768 VVPXVPAYGXBAAQ-BTDLBPIBSA-N 418.310 5.046 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)[C@]1(CCC3)N[C@@H](C)Cc2ccc(F)c(Br)c21 587805338 TUTTVBWTONUHME-WHEQGISXSA-N 413.334 5.492 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1/C=C\[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813160 BPXZPNKZNPAUMB-UOGJXGTNSA-N 406.383 6.276 0 1 HKAF CCCCCCc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587814933 JGBQJPMRTOGUCX-HJPURHCSSA-N 418.394 6.509 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(c2ccccc2)N1 587815289 ZTQKQGXXJRTMHN-MZNJEOGPSA-N 424.357 5.999 0 1 HKAF Cc1ccc(-c2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587817477 CJKYELMDJOUYBW-NPMXOYFQSA-N 410.330 6.187 0 1 HKAF Cc1ccccc1-c1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587818587 IXKMTGSFVOGUQB-IQMFZBJNSA-N 410.330 6.187 0 1 HKAF Cc1ccccc1-c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587827249 IYSNTPUAXFDACQ-LRTDBIEQSA-N 400.291 5.780 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=Cc3c(ccc4ccccc34)OC2)N1 587836125 RSDWUVQHERXQEK-ZAMGYDSWSA-N 424.313 5.793 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccccc3)o2)N1 587842471 FLMFLBPGEXCOMQ-MPBGBICISA-N 418.331 5.956 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccsc2)N1 587851526 CGBWHMBZOZXNKH-MPBGBICISA-N 402.332 5.940 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(C(F)F)cc(C2CC2)n1 587862034 ZWTCPFXFOQIOMX-UHFFFAOYSA-N 410.346 5.172 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1scc(C)c1Cl 587864933 VMWFEWAXPSDWNO-UHFFFAOYSA-N 400.809 5.289 0 1 HKAF COc1ccccc1-c1cc(O)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1O 587943091 LFJSEWJQSUCZHB-UHFFFAOYSA-N 408.281 5.658 0 1 HKAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(SC(F)(F)F)cc4[nH]1)(C3)C2 587951169 SKANHEOZYUVHMX-NFAYLAGKSA-N 410.461 5.328 0 1 HKAF Cc1cc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2cc1Br 587956989 OOQMSKWFVDWQMW-UHFFFAOYSA-N 423.395 6.552 0 1 HKAF C[C@@]1(CCc2ccc(Cl)s2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962634504 HRJNDBILXHQQMU-SQJMNOBHSA-N 423.025 5.996 0 1 HKAF CCOc1ccc(F)c(F)c1[C@H]1c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962643988 QUENTYQPTUBHJF-FQRUVTKNSA-N 420.503 5.200 0 1 HKAF COc1ccc(OCc2ccccn2)c([C@@H]2NCCc3cc(-c4ccccc4)ccc32)c1 962670964 VSAILSURFVXSKG-MUUNZHRXSA-N 422.528 5.571 0 1 HKAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)s2)N1 962896137 AKGFVBXQNWZRCF-QFBILLFUSA-N 421.415 5.261 0 1 HKAF CCC(C)(C)[C@@]1(c2ccc(F)cc2Cl)NCCc2ccc(C(=O)N(C)C)cc21 962928118 GVWSTKPXBSPQGY-QHCPKHFHSA-N 402.941 5.006 0 1 HKAF CCCCCCc1ccc([C@]2(CCC(=O)O)c3ccccc3C[C@H](C)N2CCC)cc1 963222715 CFUCQPYYTQMVPU-RBISFHTESA-N 421.625 6.574 0 1 HKAF CCCN1[C@@H](c2cc(C)c(OCc3csc(C)n3)c(C)c2)c2ccccc2C[C@H]1C 963227525 JLMFZCBCFPEDIZ-CLOONOSVSA-N 420.622 6.393 0 1 HKAF O=C(CCCN1CCC(O)(c2cc(Cl)ccc2Cl)CC1)c1ccc(F)cc1 1857584912 OEJCRLZCGDBNPH-UHFFFAOYSA-N 410.316 5.079 0 1 HKAF C[C@@H](CC[C@H](C)[C@@H](C)CO)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2356307229 PNSWSBWRTBNWNG-XACJTUTOSA-N 402.707 7.716 0 1 HKAF C[C@@H](CO)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356343097 IDLRVFXWSUWMHI-GATMLKPASA-N 418.662 5.332 0 1 HKAF CC(=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@H](CO)CC[C@]4(C)[C@@H]3CC[C@@]12C)[C@H](C)C(C)C 2356379117 IMPDGJJMUUPFGN-UXFHGCHUSA-N 414.718 7.738 0 1 HKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C 2356415311 HAJDPRAOKXTNST-PDELRANMSA-N 412.614 6.582 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356517586 NWNQHWKXHQAOFV-BSDFBTQNSA-N 416.690 6.606 0 1 HKAF CC(C=CC[C@H](C)C=C1OC(=O)C(C)=C1O)=CCCc1coc(Cc2ccoc2)c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c1ccc2c(=O)c3c(oc2c1)O[C@](C)(CC/C=C(\C)CC(=O)CC(C)C)[C@@H]3C 14636291 WODHGNNMBPUNHS-GEQKCUNQSA-N 412.526 5.788 0 1 HKAF Cc1cccc(-c2ccc3c(c2)SCc2c-3nc3ccc(F)cc3c2C(=O)O)c1 26837042 BQRBKNATOFNJTH-UHFFFAOYSA-N 401.462 6.320 0 1 HKAF COc1ccc([C@@H]2[C@@H](CCCC3CCCCC3)C(=O)N2c2ccc(OC)cc2)cc1 27189411 YPWXXNJGJPRLJU-JWQCQUIFSA-N 407.554 6.159 0 1 HKAF CC(C)c1nc(C(C)(C)C)cc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1 27655214 VPMIAOSOTOODMY-MMKWGKFASA-N 411.517 5.388 0 1 HKAF in-vitro COc1c(O)ccc2c1-c1ccc3c(c1[C@H]([C@H]1C=C(C)CCC1)O2)C(C)=CC(C)(C)N3 29411307 AWORLHRQSDNJDQ-NSYGIPOTSA-N 417.549 6.855 0 1 HKAF O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2cc(CO)ccc2c1 38149679 LGQRXFXMSKWBCD-UHFFFAOYSA-N 418.905 5.413 0 1 HKAF COC(=O)c1ccc(Nc2ccc(CCc3ccc(Cl)c(Cl)c3)cc2)cc1 40412435 JYIBLRKTKIHACI-UHFFFAOYSA-N 400.305 6.309 0 1 HKAF O=S(=O)(c1cccc2ccccc12)N1N=C2CCCC[C@H]2[C@@H]1c1ccc(Cl)cc1 42988826 WVFWEWLIYCVEAL-OFNKIYASSA-N 424.953 5.785 0 1 HKAF CCCOc1ccc(Oc2ccc(-c3ccc([C@H](C)NC(=O)CCC)cc3)cn2)cc1 45245596 OADMFFJPIQCVGY-IBGZPJMESA-N 418.537 6.307 0 1 HKAF CCN(CC)CCCNc1cc(-c2ccccc2)nc2cc(-c3cccc(F)c3)nn12 72184577 HEPMDOUINXONEU-UHFFFAOYSA-N 417.532 5.346 0 1 HKAF COc1cc(N[C@@H](C)CCCN)c2nccc(C)c2c1Oc1ccc(F)c(F)c1 73198382 AZDBSNVIZXWALH-AWEZNQCLSA-N 401.457 5.162 0 1 HKAF Cc1ccc(CCNc2ncc(C(=O)NCC3CCCCC3)c(-c3ccco3)n2)cc1 82142218 NFPQDCGZTMPRHF-UHFFFAOYSA-N 418.541 5.010 0 1 HKAF CC1CCN(c2ncc(-c3nc4ccccc4s3)c(-c3ccc(F)cc3)n2)CC1 82164673 WEIDNAAMQZLNSK-UHFFFAOYSA-N 404.514 5.796 0 1 HKAF CC[C@H](C)Cn1c(-c2cccnc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188141 ONJIRUOZDFODJQ-ROUUACIJSA-N 400.530 5.150 0 1 HKAF O[C@H](Cn1c2ccccc2c2ccccc21)[C@H](O)Cn1c2ccccc2c2ccccc21 84689944 JFZFGPGRUNJFHN-VSGBNLITSA-N 420.512 5.324 0 1 HKAF C/C=C(/C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@H]2CCC=C(C)[C@]12C 85841653 YZGKWHGGADYHRU-ZYMRKCDOSA-N 400.559 5.537 0 1 HKAF CCCn1c(C)c(C(=O)c2ccc(Br)c3ccccc23)c2ccccc21 95562644 LJUIOTQUQGYOFU-UHFFFAOYSA-N 406.323 6.506 0 1 HKAF CC(C)=CCC[C@]1(C)C=Cc2c(ccc(C(=O)CCc3cc(C=O)ccc3O)c2O)O1 95587632 UPRWLWONANYJHV-AREMUKBSSA-N 420.505 5.637 0 1 HKAF COc1cc(-c2nc(C3CCC3)n3ccnc(N)c23)cc(OC)c1Oc1ccccc1 96168118 MRLGKCBSYOEPLB-UHFFFAOYSA-N 416.481 5.056 0 1 HKAF CCc1nc2cc(O)ccc2c(Oc2ccc(/C=C/C(=O)O)cc2)c1-c1ccccc1 101376464 XOLNOXKBNUFEQH-XNTDXEJSSA-N 411.457 6.060 0 1 HKAF Cc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c1Cl 103184302 HBLSFQVCUIUPNU-UHFFFAOYSA-N 423.822 5.123 0 1 HKAF Cc1c(N(CCCC(F)(F)F)S(=O)(=O)c2ccccc2)sc2ccccc12 115233712 GUNNQMXXYDNMFS-UHFFFAOYSA-N 413.486 5.748 0 1 HKAF CC(C)C[C@H](C)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 138539177 WBAMVVMXWWWSLU-ZRUUVFCLSA-N 400.691 7.635 0 1 HKAF Cn1c(C(=O)c2ccc(Oc3ncccc3-c3ccnc(F)c3)cc2)nc2ccccc21 139078836 SHXHLNKCPTVLFG-UHFFFAOYSA-N 424.435 5.193 0 1 HKAF CC1(C)CC(=O)[C@@H]2C(=Nc3ccc(Cl)cc3N[C@@H]2c2c(F)cccc2Cl)C1 169722073 YMQXPCUHGBZEHJ-VQTJNVASSA-N 405.300 6.377 0 1 HKAF Cc1cc([C@@H](C[C@H](c2ccc(Br)cc2)c2ccccc2C)N=O)ccn1 169730226 INISOYAKHGTHDU-FGZHOGPDSA-N 409.327 6.491 0 1 HKAF CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1nccs1)c1ccc(-c2ccccc2)cc1 299859209 FLSLDCUYEQNDTF-XCYUPCBOSA-N 419.594 5.320 0 1 HKAF Cc1cccc(-c2ccccc2)c1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586879960 VMRWJEFRYLTVLH-UHFFFAOYSA-N 403.354 6.254 0 1 HKAF N[C@H](Cc1cccc(Br)c1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 586983272 ACESPJDRWJCMFC-GOSISDBHSA-N 408.299 5.360 0 1 HKAF CC1CCN(c2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)CC1 586987820 HNJSBKOBOCFESK-UHFFFAOYSA-N 420.512 6.055 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(-c4cccs4)cc3)nc3ccc(O)c1c23 586993437 HYNFZSZYXXTTLC-UHFFFAOYSA-N 405.478 6.547 0 1 HKAF CCN(C(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)c1ccccc1C 586997628 UJGDEOUDZHKCST-UHFFFAOYSA-N 420.512 5.659 0 1 HKAF O=C1CCc2cc3nc(-c4csc(-c5cc(Cl)cc(Cl)c5)n4)[nH]c3cc2N1 587015923 YPJHGPNAPNDYLF-UHFFFAOYSA-N 415.305 5.545 0 1 HKAF FC1(F)Oc2cc3nc(-c4ccc(-c5cc(Cl)ccc5Cl)o4)[nH]c3cc2O1 587050428 KFMPFXJINLXASA-UHFFFAOYSA-N 409.175 6.118 0 1 HKAF Clc1cccc(COc2ccc(-c3nc4c(Br)nccc4[nH]3)cc2)c1 587069571 DFYPTCOXCGFFCF-UHFFFAOYSA-N 414.690 5.620 0 1 HKAF COC(=O)c1cccc2nc(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)[nH]c12 587083224 JYDMGTZCEGPKTN-UHFFFAOYSA-N 417.852 5.787 0 1 HKAF COC(=O)c1cc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2c(F)c1Nc1ccccc1 587090033 KSMSLMJGVZAWTC-MRXNPFEDSA-N 419.737 5.156 0 1 HKAF CC(C)(C)c1cccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12 587091382 JGDDYDAUPMKAME-UHFFFAOYSA-N 417.353 5.882 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc(Cl)c(F)cc4[nH]3)cc2F)c1 587143489 VOCMBXARZVVOQQ-UHFFFAOYSA-N 405.231 6.491 0 1 HKAF CCCCOc1cc2nc(/C=C\c3ccc(C)c(F)c3)[nH]c2cc1Br 587146204 DCWDTXZEGQPKRF-FPLPWBNLSA-N 403.295 6.122 0 1 HKAF O=C(O)CCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348061 CDHAQMBOUAKFGN-UKILVPOCSA-N 420.436 5.041 0 1 HKAF CC(C)(C)[C@]1(CC2CCCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357508 UTNMVDUWELBMQM-ZEQKJWHPSA-N 410.529 6.646 0 1 HKAF COC(=O)c1ccc(-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C)cc1 587363312 QKGHBULYCVPALG-UHFFFAOYSA-N 423.468 6.419 0 1 HKAF COc1cccc(-c2c(C)c(-c3ccc([C@H](C)OC)cc3)nc3c2oc2ccccc23)c1 587363692 SWXVEVGCJOEBKV-SFHVURJKSA-N 423.512 7.339 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587417624 DGMHBQMOOXLVEU-LHSJRXKWSA-N 400.261 5.281 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1cccc(Cl)c1)[C@@H](C2)C3=O 587417634 DJXDSKMCGHEUHG-CYFREDJKSA-N 406.865 5.416 0 1 HKAF Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nnn1Cc1ccc(Cl)cc1 587500069 LLLLADBZMHKBAH-XMMPIXPASA-N 421.928 5.048 0 1 HKAF CCO[C@H](c1ccccc1)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587522198 GDJCVZOTWNKISU-VSGBNLITSA-N 412.529 6.204 0 1 HKAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C(F)(F)F)c1 587546358 JNDSHUSQDYWZNP-GHTZIAJQSA-N 416.351 5.123 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)ccc(Cl)c1Cl 587547062 SCZWVGWBMBNEGW-OXJNMPFZSA-N 403.217 5.108 0 1 HKAF CCCCn1nc(C)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550199 VINFALBWZOLRQA-JTSKRJEESA-N 412.873 5.054 0 1 HKAF C[C@@]1(c2c[nH]c3cc(Cl)ccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554288 WWNTUYRZIMLGPK-OFNKIYASSA-N 405.837 5.404 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccccc1F 587567367 GZYAXYZOURSQSD-OZXSUGGESA-N 412.416 5.437 0 1 HKAF CC1(C)[C@H](OCc2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587599449 FXJQZBHUNAJQAV-TVZXLZGTSA-N 416.473 5.108 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCc1ccccc1)c1ccccc1 587600634 BNCCRNMINRLMRV-NAKRPHOHSA-N 422.480 5.882 0 1 HKAF Cc1cc(Cl)cc2c([C@H](C(=O)O)c3ccc(Cl)cc3)c(-c3ccccc3)[nH]c12 587624848 UZTWAXPVYGITNY-LJQANCHMSA-N 410.300 6.667 0 1 HKAF Cc1ccc(-c2csc3ncnc(-n4ncc5ccc(Cl)cc5c4=O)c23)cc1 587654656 XTBXAJYVUNZOEX-UHFFFAOYSA-N 404.882 5.019 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2Br)N1 587677316 KFGCJLWSTDKPLT-DYZYQPBXSA-N 413.128 5.148 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)c(Cl)c2)N1 587693865 KIBJSKTYPKXQTA-XYZCENFISA-N 403.122 5.693 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2cccc(Cl)c2)N1 587700083 LOYJNWMTVCPEAS-JEOXALJRSA-N 410.714 5.264 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)ccc2Cl)N1 587711034 IWRFQJMKKXZWHA-BCTVWOGZSA-N 422.647 5.884 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587780740 ZYCGYFCSLCLLMJ-UHFFFAOYSA-N 420.512 6.875 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)OC(C)(C)C)cc2)N1 587791107 IGICANDLUBBOHI-BLVKFPJESA-N 420.322 5.167 0 1 HKAF CC(C)[C@@]1(COCc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587802707 UDILXBANSRPMED-YCRPNKLZSA-N 406.339 5.191 0 1 HKAF CC(C)c1cccc2c1OCCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587834314 KSEZIYXCBOCUBP-JLCFBVMHSA-N 418.350 5.662 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1nccs1 587852949 JSMIIYWLDHBPQI-MLCYQJTMSA-N 420.351 5.076 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c(O)c2)cc1OC 587928189 ZQAHPCUKWHURBL-UHFFFAOYSA-N 416.264 5.322 0 1 HKAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2)c1 587933456 OVYQTPRETBGHQR-UHFFFAOYSA-N 400.356 5.510 0 1 HKAF FC(F)(F)Sc1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 587949894 MGSJCRAGNAABAK-RAXLEYEMSA-N 412.436 7.138 0 1 HKAF Cc1csc(-c2cnc([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)[nH]2)c1 653730842 JJGDDWDDDRGYCY-DENIHFKCSA-N 418.566 5.283 0 1 HKAF Cc1sc2c(c1C)CCN[C@]2(c1ccc(CN2CCCC2)cc1)c1ccccc1F 963011212 OLMFJRAKNXKERT-AREMUKBSSA-N 420.597 5.537 0 1 HKAF CCOC(=O)[C@H](C)N[P@@](=O)(COC)Oc1c(C(C)C)cccc1[C@H](C)C1CC1 1772571952 KTSUFAARRJYRCI-YZCUQEPOSA-N 411.479 5.041 0 1 HKAF CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)OC)NC(=O)[C@@H](N)C(C)C 1772630986 AKDXWLXJQATYJF-COOGSXHMSA-N 410.643 5.275 0 1 HKAF CC(C)(C)OC(=O)NCCCCN=c1cc(/C=C/c2ccccc2)[nH]c2ccccc12 1857603283 FBKSIHWFGBMKAZ-FOCLMDBBSA-N 417.553 5.544 0 1 HKAF CCOP(=O)(OCC)[C@H](Nc1cccc(C)c1)c1cc2ccccc2nc1O 1857649477 LPCRLGKSFDRVGY-NRFANRHFSA-N 400.415 5.626 0 1 HKAF CCCOc1ccc2c(c1)c(C(=O)c1ccc(OC)cc1)cn2CC1CCOCC1 1857654954 HASICPCOVYESAH-UHFFFAOYSA-N 407.510 5.096 0 1 HKAF Cc1cccc(-c2ccccc2N2CCN(CCc3c[nH]c4ccc(F)cc34)CC2)c1 1857765994 GKCMVPCOPWLIIZ-UHFFFAOYSA-N 413.540 5.647 0 1 HKAF Oc1cc(O)cc(CCCC=CCCCCCCCCCc2cc(O)cc(O)c2)c1 2356537343 PFIQXUYXVYYERO-UHFFFAOYSA-N 412.570 6.751 0 1 HKAF COC(=O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCCCc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@H]1[C@@H]2[C@H]43 2356684727 WUXZTXRLZQAUHL-FRYARZSHSA-N 420.549 5.178 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356732219 GYDIPQRLDOTECG-NVLYETHJSA-N 410.730 9.076 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@H]3CC[C@@]12C)C(C)C 2356751226 WBTPOQYEYUEYSR-SKZUVUPWSA-N 400.691 7.491 0 1 HKAF Cc1cnc(-c2nc3ccccc3n2[C@@H](C(=O)Nc2c(C)cccc2C)C2CC2)cn1 95600200 PQFIJBQFKRXCDO-HSZRJFAPSA-N 411.509 5.008 0 3 HKAF CCOc1cc(CN(C)C2CCCC2)cc(Cl)c1OCc1ccc(Cl)cc1 169303409 IGLHXTLIWMMECD-UHFFFAOYSA-N 408.369 6.346 0 3 HKAF CCOc1cccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC2CCCCC2)c1 773435 WWIHJRPQFMTIPL-UHFFFAOYSA-N 408.473 5.609 0 1 HKAF O=C(c1ccc(Cl)cc1)N(C(=S)OCCOc1ccccc1)c1ccccc1 1655249 WQZSVPCGCSOLCL-UHFFFAOYSA-N 411.910 5.367 0 1 HKAF CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl 4296347 KPPBZGIBVMVMQU-HKUYNNGSSA-N 409.288 5.141 0 1 HKAF O=C(N[C@@H]1CCCc2ccccc21)c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1 6751495 JXBBXRBNGDADHC-PIIWDFAUSA-N 413.926 5.048 0 1 HKAF CC(C)=CCc1cc2c(c3c1OC(C)(C)C=C3)O[C@H](c1ccc3c(c1)OCO3)CC2=O 13339869 MYBZQNOWCJPPLN-QFIPXVFZSA-N 418.489 5.815 0 1 HKAF biogenic O=C(O)COc1cccc(CCc2nc(C3CCCCC3)c(C3CCCCC3)o2)c1 13727460 CUNCZZQVROQQQJ-UHFFFAOYSA-N 411.542 6.019 0 1 HKAF CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1 13827737 GAONWOIGVWFSKH-UHFFFAOYSA-N 420.557 5.639 0 1 HKAF CCSC(C[C@]12CCC(=O)C=C1CC[C@H]1C2=CC[C@]2(C)C(=O)CC[C@H]12)SCC 14947098 QDXJDBBTILTBMC-PBIIQAGSSA-N 418.668 6.210 0 1 HKAF COc1cccc(CO[C@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 27546725 TXDIYPDUXRZWER-IZLXSDGUSA-N 413.561 5.507 0 1 HKAF CCCN(Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12)CC1CC1 28903417 UODGRQMCTYUJAX-UHFFFAOYSA-N 415.585 5.529 0 1 HKAF Cc1nc(-c2nc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)cs2)cs1 35796686 IGONDOBLYLNKTI-OAHLLOKOSA-N 420.607 5.817 0 1 HKAF CCCCC[C@H](C)[C@@H](C)c1cc(OC(N)=O)c2c(c1)OC(C)(C)C=C2c1ccncc1 45322409 QNQLTBALJDNJAP-ZWKOTPCHSA-N 422.569 6.462 0 1 HKAF CO[C@@H]1C[C@@H]2[C@](C)(CCC[C@@]2(C)COC(=O)CCC(=O)O)c2ccc(C(C)C)cc21 45370640 UUEITCHLKYSZKN-HWIPXOPOSA-N 416.558 5.373 0 1 HKAF CCC/C(=C\Cl)CCCC(=O)N[C@@H](C)C[C@H](C)C(=O)[C@@H](C)CC/C=C/Cl 49046430 OEEXJHFQVSGEBK-MSPWSITASA-N 404.422 6.348 0 1 HKAF CCSC[C@@H]1C[C@](O)(c2ccccc2)[C@@H](c2ccccc2)[C@H](c2ccc(F)cc2)O1 49073192 FSXDGPMVZPSKCM-CQJMVLFOSA-N 422.565 6.080 0 1 HKAF Clc1ccc(-c2nc(CNC3CCN(Cc4ccccc4)CC3)co2)c(Cl)c1 72103787 GPHFUOLPIZOZNY-UHFFFAOYSA-N 416.352 5.403 0 1 HKAF O=C(N[C@@H](c1ccc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2cnccc2c1 72179888 IACORONISGFLON-OAQYLSRUSA-N 414.336 5.012 0 1 HKAF CC(C)CN(C)C(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccccc1 82132826 JTHTXOLRCUETOV-UHFFFAOYSA-N 422.960 5.180 0 1 HKAF CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1 82133982 LCZIHRSJUILSOO-UHFFFAOYSA-N 414.553 5.185 0 1 HKAF COc1ccccc1CNc1ncc(-c2nc(C)c(C)o2)c(-c2ccccc2C)n1 82177631 AGXXRNVQXJUDKG-UHFFFAOYSA-N 400.482 5.345 0 1 HKAF Cc1ccc2c(c1)N(C(=O)Nc1cc(OC(F)(F)F)cc(-c3cccnc3)c1)CC2 95556191 JQSMSUBLCYQOPZ-UHFFFAOYSA-N 413.399 5.550 0 1 HKAF O=P(O)(O)Cc1ccc(-c2cccc([C@H](O)c3ccc(Cl)c(Cl)c3)c2)cc1 96284980 WQEIWNQAIOLRTH-FQEVSTJZSA-N 423.232 5.420 0 1 HKAF COC(=O)[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccc(SC)cc2)cc1 101038434 VBCBQYQOZQQZBS-ARIDEJRSSA-N 405.563 5.115 0 1 HKAF OC1(c2ccc(Br)cc2)C[C@@H]2CC[C@@H](C1)N2Cc1coc2ccccc12 101185397 QLWQFJPPXAYVOM-OALUTQOASA-N 412.327 5.210 0 1 HKAF Cc1ccc(NC2=NN(C(=O)COc3cccc(C)c3)[C@@H](c3ccccc3)S2)cc1 103196638 RYSUEJOYQOHICV-HSZRJFAPSA-N 417.534 5.340 0 1 HKAF FC(F)Oc1ccc(-c2ccc3c(c2)CNC[C@H]3c2ccc(Cl)c(Cl)c2)nn1 114515076 GMTDFEZUDHTSAN-HNNXBMFYSA-N 422.262 5.287 0 1 HKAF C[C@H]([C@@H](O)CCC(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118932690 SWBPHHNEYRLOHW-OZHBNFMSSA-N 416.690 6.750 0 1 HKAF COc1cc(C)c2[nH]c(=O)c3sccc3c2c1-c1ccc([C@H](CN)C(C)C)c(F)c1 165032180 GOJKTBGMQIQPEP-QGZVFWFLSA-N 424.541 5.564 0 1 HKAF CC1(C)CCC[C@@]2(C)C1=CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]21C 169652938 PLCREXMWSNNUNS-AHNCAJPUSA-N 424.713 8.377 0 1 HKAF Oc1csc(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccc(F)cc2)n1 169726301 CIIDMOCYZAQMCR-MRXNPFEDSA-N 418.291 5.106 0 1 HKAF COc1cc(O)c2c(c1C/C=C(\C)CCC=C(C)C)O[C@H](c1ccccc1)CC2=O 209997877 JNZJOLYHTZUUIO-HKRNCWMRSA-N 406.522 6.343 0 1 HKAF C/C=C(/C)C(=O)O[C@H]1[C@@]2(C)C=C[C@@]13CC[C@H]1[C@@](C)(CCC[C@@]1(C)C(=O)O)[C@@H]3CC2 238736237 XAGOABKVVNRUKC-LTORLRBLSA-N 400.559 5.528 0 1 HKAF COc1cccc(CCNCCCCc2cn(-c3ccc(F)cc3)c3ccccc23)c1 299839975 UHSWIZQHUWNIQL-UHFFFAOYSA-N 416.540 5.933 0 1 HKAF CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 299869046 TVFCVNBUZRJAPZ-DOEKTCAHSA-N 412.577 5.864 0 1 HKAF CCOC(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)nc2c1 586879849 SLQSOWYFDYVSBK-UHFFFAOYSA-N 400.434 5.080 0 1 HKAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(C)nc(C)cc4[nH]3)c(=O)oc2c1C 586919017 WZJQAKGMCKUWPX-UHFFFAOYSA-N 417.509 5.234 0 1 HKAF Clc1cc(Cl)c(Br)c(-c2nc3cc(Br)cnc3[nH]2)c1 586977134 YGAZWSFMVRGYQG-UHFFFAOYSA-N 421.907 5.457 0 1 HKAF CCCCNS(=O)(=O)c1ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2c1 587026979 LLCWZDPAQYBONV-UHFFFAOYSA-N 411.552 5.037 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(C[C@H]4OCCc5ccsc54)[nH]c3c2)cc1 587035496 QRTZCNSDQJYEBL-HXUWFJFHSA-N 420.490 5.060 0 1 HKAF Cc1nccc2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc12 587064138 MXBZHMGDOKOVEY-UHFFFAOYSA-N 402.885 5.620 0 1 HKAF CC(=O)N1CCc2cc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)ccc21 587097396 OLDBDLZWFLHZRI-UHFFFAOYSA-N 404.469 5.331 0 1 HKAF C[C@@H](c1nc2c(Cl)c(Cl)cnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129386 IYWOMIMROHGENI-VKHMYHEASA-N 416.593 5.599 0 1 HKAF CCCCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587352835 YFXIEXDXTPEREX-AOYPEHQESA-N 420.480 5.985 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CS[C@@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1 587376229 PDKMJKZMIASBDL-KCZVDYSFSA-N 412.507 5.569 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)/C(=C/c2ccc(C(C)(C)C)cc2)N2CCC1CC2 587394152 CXBRBSSPAXQHSD-LKWZWFHSSA-N 416.565 5.345 0 1 HKAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O 587428292 JKTCQRHVTLJHAD-IWXAKQBESA-N 411.501 5.080 0 1 HKAF CCCOc1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1Br 587456067 KBSVTLGPTIMJIK-HXUWFJFHSA-N 419.315 5.603 0 1 HKAF CCOC(=O)C[C@]1(c2ccc(Cl)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587505373 MMNYLYHTEOPOHR-QHCPKHFHSA-N 416.876 5.172 0 1 HKAF Cc1ccc(-c2nc3ncccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587516608 YPKBNQJGXSGMEM-HSZRJFAPSA-N 423.516 5.598 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccccc2Cl)no1 587549298 RMFCMMUQCQCUED-NZQKXSOJSA-N 419.820 5.404 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)C1CCCC1 587568935 GJVFMMCKGIJJES-RDGATRHJSA-N 404.437 5.579 0 1 HKAF CCO[C@H](C)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587592846 HQIHFSGNMBEPJP-PKHVTESESA-N 404.462 5.367 0 1 HKAF CC(C)(C)OC(=O)c1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597954 WWTUQDYPICAQTI-OFNKIYASSA-N 418.445 5.050 0 1 HKAF COc1ccc(-c2ccccc2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587598514 BJJZQJSKOVJJFE-IGKIAQTJSA-N 424.452 5.771 0 1 HKAF Cc1c(-c2ccccc2Br)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625169 DHDVGFNMLFDOIB-UHFFFAOYSA-N 422.166 6.943 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(-c3ccc(Cl)cc3Cl)c2c1 587640947 HIZFZBACLPDIOS-CQSZACIVSA-N 412.335 8.461 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2Cl)(C2CCCC2)N1 587695453 JXTZBZRKVYXRDO-LRTDBIEQSA-N 422.769 6.210 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cccc(F)c2)N1 587728583 FKLSJSXWUAPGKC-YUNKPMOVSA-N 403.270 5.142 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(F)cc3)cc2)N1 587729711 DBHYQECYXCSIIH-MCMMXHMISA-N 414.293 6.018 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccccc1N(C)c1ccccc12 587767408 IXRBCVWPUIFUHM-CQSZACIVSA-N 423.329 5.496 0 1 HKAF CCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587791291 HFNBVFRDVQKPOI-FKIZINRSSA-N 408.311 5.009 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccsc3)cc2)N1 587852414 GLJULAFRSKWBPE-ODXCJYRJSA-N 402.332 5.940 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(Cl)c(C(=O)O)c1 587855865 KHXAMDYDMXWMAZ-UHFFFAOYSA-N 411.672 5.596 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3ccoc3)c2)cc(-c2ccc3occ(C)c3c2)n1 653663082 ZSMXKGYXVUCSNI-KRWDZBQOSA-N 409.489 6.940 0 1 HKAF CC(C)(C)[C@@]1(c2ccc(CC(=O)O)s2)c2ccsc2CCN1Cc1ccco1 962706161 LFBFIJCAQSCIPW-QFIPXVFZSA-N 415.580 5.378 0 1 HKAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@]21CCC[C@@H]1c1ccccc1Cl 962715146 SQHCIPFQMZZEQT-HFXUHXBXSA-N 401.978 6.006 0 1 HKAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@]21CCC[C@H]1c1ccccc1Cl 962715151 SQHCIPFQMZZEQT-ICPLQIHGSA-N 401.978 6.006 0 1 HKAF CCCc1ccc([C@@]2(c3ccccn3)NCCc3cnc4c(OC)cccc4c32)cc1 963054246 HYODQBKKWJCNQJ-MHZLTWQESA-N 409.533 5.029 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1ccc(C)cc1)c1ccc(Cl)c(Cl)c1 963244603 WSJPTBUGXCYUQM-SIBVEZHUSA-N 424.415 7.250 0 1 HKAF CCN(CC)c1ccc(NC(=O)Nc2ccc(-c3ccnc4[nH]nc(C)c34)cc2)cc1 1772643305 MUGQYYFPFUTADE-UHFFFAOYSA-N 414.513 5.424 0 1 HKAF Oc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c2Cc2c(O)cccc2-3)cc1 1857540692 QUQQKXAOYBQSKJ-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF Cc1cccc(-c2nc(-c3ccc(Cl)cc3)c3n2CCc2c-3[nH]c3ccccc23)c1 1857541983 YBRQQSOLSOVRDZ-UHFFFAOYSA-N 409.920 6.883 0 1 HKAF Clc1cccc(C[C@]2(COc3ccc4c(c3)[nH]c3ccccc34)CCCNC2)c1 1857550992 BUMABZFDIYXNFN-RUZDIDTESA-N 404.941 5.966 0 1 HKAF CC[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857568641 UPJSPVUFOOUJHO-SNUITSNISA-N 402.663 6.504 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@]12C 2356347831 ZQIOPEXWVBIZAV-JZMYUTNVSA-N 414.762 9.524 0 1 HKAF C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C=C(O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 2356359237 GPPRBZOWVGZNTF-ZCQLFPNHSA-N 412.614 6.405 0 1 HKAF CC(C)[C@@H](O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356386998 DGZVTDWQDGXMNS-QKSHGXOVSA-N 404.679 6.439 0 1 HKAF C[C@H]1CC[C@H]([C@@](C)(O)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)NC1 2356474216 IYNBEJALSUEFDB-JQVSQGBISA-N 415.662 5.065 0 1 HKAF CCNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)c1 13589520 GAUKQFOUBBTFJU-UHFFFAOYSA-N 422.485 5.158 0 1 HKAF Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1[C@H](C)CN1CCOCC1 13742566 UALAOOODMWJBTC-LJQANCHMSA-N 412.533 5.227 0 1 HKAF CC(C)=CCc1c2c(cc3c1O[C@H]1c4ccc(O)c(CC=C(C)C)c4OC[C@@H]31)OCO2 27435385 JFMFKRLWHHXQJT-CPJSRVTESA-N 420.505 5.748 0 1 HKAF C[C@@H](C(=O)OCCc1ccccc1)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 33884388 YMNUQLHCSOVTHI-QMMLZNLJSA-N 408.563 5.671 0 1 HKAF CCOc1ccc([C@H]2N=NC(C3=C(O)c4ccccc4C3=O)=C[C@@H]2c2ccccc2)cc1 34133052 YVXPJXPFXRUBAW-RCZVLFRGSA-N 422.484 6.426 0 1 HKAF biogenic CCN(C)CCc1cccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc12 36311429 MRJAJLNTQWENGC-UHFFFAOYSA-N 408.933 5.151 0 1 HKAF FC(F)(F)c1ccc2c(c1)nc(Nc1ccccc1)n2Oc1ccc(Cl)cc1 40393408 OZVHYCTUYZLWLU-UHFFFAOYSA-N 403.791 6.294 0 1 HKAF CN(CCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccccc1Cl 40420417 GEHMMZDHTYBLQO-UHFFFAOYSA-N 406.932 6.488 0 1 HKAF CC1=CC=CC2=NC[C@@H](C(=O)c3ccc(-c4ccc(Br)cc4)cc3)CN12 43121021 FWLAKUKSMTZQTH-LJQANCHMSA-N 407.311 5.103 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 45284557 AEWWFKWBCCJQAS-YHWFYDKQSA-N 414.634 5.237 0 1 HKAF CCCO[C@H](c1ccc(Br)cc1)[C@@H](SC(C)(C)C)n1cnc(C)c1 45366025 CLRSLKWUYWDGQJ-QZTJIDSGSA-N 411.409 6.152 0 1 HKAF CCN(Cc1ccccc1)C(=O)c1cnc(NCC2CCCCC2)nc1-c1ccco1 82142924 LJLBJQZQZLZCSE-UHFFFAOYSA-N 418.541 5.391 0 1 HKAF COc1ccc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccccc3C)n2)cc1 82177727 PMXCUEYRXHJTBI-UHFFFAOYSA-N 400.482 5.079 0 1 HKAF Clc1ccc([C@@H]2C[C@@H]3CC[C@H](S3)[C@@H]2c2cc(-c3ccccc3)no2)cc1Cl 101388845 KWPJGSRDVFKINU-QDGJQWLKSA-N 416.373 7.184 0 1 HKAF COc1ccc(C(=O)Nc2cc3nc(C4CCCCC4)[nH]c3cc2N2CCCC2)cc1 103255846 MHEAELYHFNPPTF-UHFFFAOYSA-N 418.541 5.472 0 1 HKAF C/C(=C\c1nsc(Nc2ccc(Cl)cc2)n1)NCCc1c[nH]c2ccccc12 103947023 SYPBZWMPQODZGF-WYMLVPIESA-N 409.946 5.610 0 1 HKAF COc1cccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2F)c1 104697053 UFTBPXIHFCFPCY-QFIPXVFZSA-N 406.457 5.281 0 1 HKAF [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@H](C)OC(C)=O)c(C)c1Cl 146641262 RYIIOFQQCZIMDF-ORAYPTAESA-N 410.861 5.354 0 1 HKAF COc1cc2cc(-c3cccc(F)c3)n(Cc3cccc(C(=O)O)n3)c2cc1Cl 169701320 LWMJSEXGBQWYNA-UHFFFAOYSA-N 410.832 5.251 0 1 HKAF O=C1N=C2/C(=C/c3cccc4ccccc34)CNC[C@H]2[C@H](c2cccc3ccccc23)N1 169729986 PDBATHWNPGJGIP-SQGZTUKASA-N 417.512 5.501 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](CO)[C@H]1CC3 261497582 ORZKEIGPXNMCHC-DLTWUULASA-N 414.674 6.671 0 1 HKAF endogenous,in-man COc1ccc(NC(=O)[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@H]32)cc1 299837350 QLLMKZBKUNQDHI-ZRJLEYOISA-N 405.582 6.468 0 1 HKAF CC[C@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 586893851 YYNFXLMEVQJIIR-DNVCBOLYSA-N 423.460 5.286 0 1 HKAF CCOc1cc(/C=C/c2nc3ccc(Cl)c(C)c3[nH]2)cc(Br)c1OC 586978084 LGISIPFXMWPXPM-VMPITWQZSA-N 421.722 5.865 0 1 HKAF COC(=O)c1ccc(Oc2ccc3[nH]c(C(=O)Nc4ccccc4Cl)nc3c2)cc1 587060748 TZNOFTYMROKTDJ-UHFFFAOYSA-N 421.840 5.048 0 1 HKAF Cc1cc(-c2ccccc2-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1F 587104340 SIEWUWQORQLNNI-UHFFFAOYSA-N 415.467 7.228 0 1 HKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(F)c(Br)c2[nH]1 587114895 YSNFBXNTPFOKED-VIFPVBQESA-N 401.201 5.830 0 1 HKAF CC(C)(C)Oc1cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(N)cc1F 587135765 DEMPDNVEBSSHQX-UHFFFAOYSA-N 401.791 5.801 0 1 HKAF CN(CCc1nc2cccc(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587193405 JPRFEZLXANSCDU-UHFFFAOYSA-N 415.468 5.125 0 1 HKAF Fc1cc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2cc1Br 587195652 GNOOYKLAIPTKAE-UHFFFAOYSA-N 410.290 5.671 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCc3cc4ccccc4cc32)[C@@H]1c1ccc(F)cc1 587350512 HWXOXERXUGIKTO-VPUSJEBWSA-N 410.444 5.885 0 1 HKAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4Sc4ccc(C(C)C)cc41)[C@@H](C2)C3=O 587454101 UVTUJPLXZMRMHR-RXFWQSSRSA-N 414.526 5.974 0 1 HKAF CN(C)c1cccc(Br)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587499752 OPVFVWQJJSZSGG-LJQANCHMSA-N 400.316 5.100 0 1 HKAF C[C@]1(c2ccc(OC(F)(F)F)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587506545 NZHVXPWCNICVQF-HXUWFJFHSA-N 410.819 5.998 0 1 HKAF C[C@@]1(Cc2ccc(Br)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587506872 QKSYFWDYWGLOAQ-OAQYLSRUSA-N 403.291 5.434 0 1 HKAF Cc1ccc([C@@]2(c3ccc(Cl)c(N)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587509603 VLIJTSSHWZPECW-AREMUKBSSA-N 417.936 6.018 0 1 HKAF COC(=O)c1ccc(-c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587528024 YJIFYRRBDMZDBX-RUZDIDTESA-N 412.485 5.726 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1ccc(Cl)cc1 587544999 FXSHUMCJNWTREV-CVDCTZTESA-N 418.836 5.139 0 1 HKAF Cc1ccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 587604398 WFPVTHFRICKCED-SQHAQQRYSA-N 408.453 6.071 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(-c3ccccc3)cc12 587605407 ZMNXXUGJDNYBQK-LSYYVWMOSA-N 420.464 5.863 0 1 HKAF CC(C)(C)Sc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587608210 QBAQSAHGBWRCBW-OFNKIYASSA-N 406.503 5.986 0 1 HKAF O=C(c1ccc(C(F)(F)F)cc1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587637585 LFBZJTRCJGOKLF-UHFFFAOYSA-N 401.262 5.135 0 1 HKAF CCOC(=O)c1c(-c2ccc(Br)cc2)[nH]c2ccc([C@@H](C)CC)cc12 587638302 FOENQVPRIVUXPI-ZDUSSCGKSA-N 400.316 6.288 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(Cl)c3)o2)N1 587697426 GLZMMVXYGWRINS-PRWKNARSSA-N 420.709 6.125 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)(F)F)cc2F)N1 587712986 RLKNDMLNFRIHPH-VPTHRUTESA-N 406.192 5.370 0 1 HKAF Cc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC(F)F 587718241 NIOBBGDZKQPXOO-QLJPJBMISA-N 400.238 5.122 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(C3CCC(=O)CC3)CC2)N1 587818306 QBPFXTBDYRYGPQ-PCODGMICSA-N 408.355 5.267 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](c3ccccc3)c3ccccc32)N1 587819832 WTMYSZUMVZGBCL-ZCLJVBCSSA-N 422.341 5.902 0 1 HKAF COc1cccc2sc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)nc12 587863597 DFALCLXJMQAGAA-UHFFFAOYSA-N 405.401 5.185 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Oc2ccccc2)cc1 587870267 CPAJHHGCJPZNQH-UHFFFAOYSA-N 402.425 5.569 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cnccc2[nH]1 587958151 BBLUNHGHNQULCZ-XSCOUVMYSA-N 403.614 7.812 0 1 HKAF c1ccc(CC2CCN(C[C@@H]3CCC(c4ccccc4)(c4ccccc4)O3)CC2)cc1 653702245 BJDXGMTWLRAACB-NDEPHWFRSA-N 411.589 6.064 0 1 HKAF O=C(O)c1ccc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)c(Br)c1 962660275 HTAIFKUIBPENCO-OAQYLSRUSA-N 408.295 5.049 0 1 HKAF CCCC[C@H](CC)CC[C@@]1(CC(C)C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962699366 HERCSQZDIJTGHM-VVZHRXSXSA-N 419.694 7.427 0 1 HKAF CCC[C@]1(c2cccc(C(F)(F)F)c2)c2cccc(F)c2CCN1[C@H]1CCSC1 962706897 MPQNANLGLCGLQO-AVRDEDQJSA-N 423.519 6.252 0 1 HKAF CN(C)C(=O)c1ccc2c(c1)[C@@](CCc1ccc(Cl)cc1)(C1CCCC1)NCC2 962929299 IVTWKHIMGBYBLL-RUZDIDTESA-N 410.989 5.206 0 1 HKAF COc1ccc(CC[C@@]2(C3(O)CCCCC3)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963101217 QPOGDGQFLQFQDE-CUNXSJBXSA-N 423.572 5.378 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]12C=C(c1cccc(O)c1)Oc1ccc(O)cc12 963228196 KZJKDSFHKKDWPY-DNOBIOAJSA-N 413.517 5.432 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1ccccc1OC)c1ccccc1SC 963241527 MVRKFOIPDYOMMV-DCFHFQCYSA-N 417.618 6.366 0 1 HKAF Cc1cc2c(cc1O)[C@]1(CCCCCCCCCCCC[C@H](C)C1)N[C@H](C(=O)O)C2 963473118 RDMMZKDFIMKTJF-FPDDQMOCSA-N 415.618 6.216 0 1 HKAF COc1cc2c(c3c1C(=O)C[C@H](c1ccccc1)O3)C=C[C@](C)(CCC=C(C)C)O2 1857540294 QDMIUSBLODILIC-RLWLMLJZSA-N 404.506 6.312 0 1 HKAF O=C(c1n[nH]c2c(Cl)cccc12)N1CCC(c2ccccc2C(F)(F)F)CC1 1857617418 VEWXOEFELYWRTQ-UHFFFAOYSA-N 407.823 5.255 0 1 HKAF FC(F)(F)c1ccccc1-c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 1857652864 YXUKHPDSQFNWFK-UHFFFAOYSA-N 406.363 6.836 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4ccc(F)cc4c(C(=O)O)c3C)cc2)c(Cl)n1 1857769801 NPMKPVGSRBWMIO-UHFFFAOYSA-N 406.844 6.071 0 1 HKAF Cc1cc(C)c(-c2ccccn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 1911582446 LMWKVXVABNCJLY-UHFFFAOYSA-N 409.489 5.592 0 1 HKAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@]2(C)C[C@](C)(C=CC(=O)O)CC[C@]12C 2356392862 RFUWXMLQNIWPAD-VHEUSWEBSA-N 414.630 6.662 0 1 HKAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2[C@H](OC(=O)C(C)C)[C@@H]2C(=O)CC[C@@H](C)[C@]12C 2356446172 ZWZYJBYNCRIMLI-VZPNWZCSSA-N 416.514 5.014 0 1 HKAF CC(C)C(=O)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356587321 HUEKQDSAUGWXNI-HTYNQVOISA-N 400.647 6.568 0 1 HKAF C[C@]1(Cc2ccccc2OC(F)(F)F)C(=O)Nc2ccc(-c3ccsc3)cc21 61926865 CZJQEPDHGNJKKW-HXUWFJFHSA-N 403.425 5.766 0 3 HKAF COCOc1ccc(Cc2cccc(-c3c(O)[nH]c4cc(Cl)ccc4c3=O)c2)cc1 1533495 JNVNXHMNESKCEC-UHFFFAOYSA-N 421.880 5.128 0 1 HKAF Cc1ccc(NC(=O)N[C@H]2CCC[C@H](NC(=O)Nc3ccc(C)cc3C)C2)c(C)c1 13493809 MHRXAZDZTYHCPR-PMACEKPBSA-N 408.546 5.175 0 1 HKAF CCCC[C@@H](c1ccccc1)N(CCC)c1nc(-c2ccc(OC)cc2C)n(C)n1 13610713 XLEAWWFFZMNYAE-QHCPKHFHSA-N 406.574 5.947 0 1 HKAF O=C(O)/C(=C/c1cc(OCc2ccsc2)ccc1Br)c1ccccc1 13780361 WWBVKXXTYSSPKP-WOJGMQOQSA-N 415.308 5.715 0 1 HKAF O=C(O)C[C@H](c1cnc[nH]1)N(CCCc1ccccc1)Cc1cccc2ccccc12 28341855 QSBYZRXJVFGFGA-RUZDIDTESA-N 413.521 5.214 0 1 HKAF O=C1CS[C@H](c2cnccc2-c2ccc(Br)cc2)N1C1CCCC1 28819549 ODHRXJMXKREBJO-LJQANCHMSA-N 403.345 5.028 0 1 HKAF CCCCCn1cc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc21 28864432 NEYOZOJLARBVRA-FVFHPELPSA-N 420.597 5.526 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 34801273 AEWWFKWBCCJQAS-PSWJACPDSA-N 414.634 5.237 0 1 HKAF Cc1sc2c(c1Br)[C@@H](c1ccc(Br)cc1)CN(C)C2 38157552 HOFWGDUADIMBKR-GFCCVEGCSA-N 401.167 5.159 0 1 HKAF C[C@](O)(c1ccc(S(=O)(=O)c2ccccc2-c2ccc(F)cc2)cc1)C(F)(F)F 64549740 DOPRCGPCIUXMCJ-FQEVSTJZSA-N 424.415 5.095 0 1 HKAF O=C1c2ccccc2[C@@](O)(c2ccc(Cl)cc2)N1Cc1ccc(C(F)(F)F)cc1 66102149 RVBHFDCVFGBLNI-NRFANRHFSA-N 417.814 5.208 0 1 HKAF CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ncccc1Cl)c1ccccc1 72179805 MGWLGPGPYSAHTE-LJQANCHMSA-N 404.901 5.014 0 1 HKAF Fc1ccc([C@H]2[C@@H]3CC[C@H](C[C@H]2c2ccc(F)cc2)N3CCc2ccccc2)cc1 87634379 TULWTCRECLIYGX-LGTXBLIGSA-N 403.516 6.312 0 1 HKAF COc1cc(Cc2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)cc(OC)c1OC 95595492 VTAGWZSWNLQAID-UHFFFAOYSA-N 423.512 6.605 0 1 HKAF CC(C)C(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 136391291 FXFASFPKXQZSRE-ATCMKXLTSA-N 402.663 6.648 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CCCC(C)(C)[C@@H]1CC4 136770364 ZJFCFQZUMBQPHL-WXJQEXDJSA-N 410.730 9.342 0 1 HKAF CCc1cc(CCC#N)ccc1N1CCc2c(C)nc(Nc3ccc(C#N)cc3)nc21 137123109 NVDPSBONGRTBCW-UHFFFAOYSA-N 408.509 5.113 0 1 HKAF CC(C)=CCC/C(C)=C/C[C@@]12CCN(C)[C@@H]1Nc1c(Br)ccc(O)c12 140596067 YFSNZRUSLZKXIV-CCHDSSJHSA-N 405.380 5.562 0 1 HKAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4Cc5oc(C(=O)c6ccccc6)cc5C[C@@]43C)[C@H]1CC[C@@H]2O 169372431 QQZREEIDGFPMCP-KQFFCWFQSA-N 418.577 5.829 0 1 HKAF Cc1cc(C)cc(S(=O)(=O)c2cnc3ccc(F)cc3c2N2CCC(C)CC2)c1 201541267 OPKHXQQUKGIWME-UHFFFAOYSA-N 412.530 5.060 0 1 HKAF CCCCC/C=C/C/C=C/C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 212811223 FQYWAQLILQWTQT-GPAYCMFSSA-N 410.642 8.666 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](C)[C@H]21)C(C)C 255272582 VAXPLJSKWWBBMD-YTKFMZHJSA-N 410.686 7.865 0 1 HKAF COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1OC1CCCC1 473112942 DSQQYMCTNNYJTR-UHFFFAOYSA-N 410.517 6.741 0 1 HKAF COC(=O)c1cc2nc(C3(c4ccccc4O)CC3)[nH]c2c(F)c1Nc1ccccc1 586897247 WNSLUUMXLLDMCO-UHFFFAOYSA-N 417.440 5.018 0 1 HKAF O=[S@](Cc1nc2ccc3c(c2[nH]1)CCCC3)C(c1ccccc1)c1ccccc1 586961668 XMEUMNCQDMNOMU-GDLZYMKVSA-N 400.547 5.480 0 1 HKAF COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(N)c1Cl 586993360 KXQDPFKUKWHKCJ-UHFFFAOYSA-N 400.865 5.666 0 1 HKAF Cc1cc(Br)cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 587007250 YQUJHYMCFRURAR-UHFFFAOYSA-N 405.093 5.316 0 1 HKAF Clc1cccnc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587064539 CPYLGKGTIUYOCE-UHFFFAOYSA-N 414.690 5.620 0 1 HKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2)cc1 587067610 HFESNQOCMNFSAG-UHFFFAOYSA-N 418.859 5.367 0 1 HKAF Fc1cc(C(F)(F)F)c2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2c1 587077768 ZPZQLLHZZUSBTI-UHFFFAOYSA-N 410.758 5.209 0 1 HKAF CCCOc1cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2cc1Br 587083959 FIXXHTPKUTUKPP-UHFFFAOYSA-N 406.711 5.243 0 1 HKAF Cc1cc(F)c2[nH]c(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)nc2c1 587088491 XXPIVDITGLGTKQ-BQYQJAHWSA-N 415.299 6.041 0 1 HKAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(Br)c(Br)cc3[nH]2)c1 587161125 KJNRDKMBPYWGHK-GHMZBOCLSA-N 410.084 5.498 0 1 HKAF CCS(=O)(=O)c1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1 587162451 BFISVZNPGUNJSW-SFQUDFHCSA-N 412.511 5.146 0 1 HKAF COc1ccccc1Nc1ccccc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 587240600 GEUAYCWTBLYXAU-UHFFFAOYSA-N 415.440 6.594 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCOc3ccc(F)cc32)[C@H]1c1ccc(F)cc1 587329643 DBONYKXGBVICGW-LADGPHEKSA-N 408.400 5.097 0 1 HKAF CC1(C)[C@@H]2CC[C@@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@@H]2N=O 587336280 MOJZFOLEZNOSOS-ODBMFVKLSA-N 409.457 5.220 0 1 HKAF CC(C)[C@@]1(CCc2cccc(N)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341006 XKQPKWRJBIILIS-AOYPEHQESA-N 419.496 5.500 0 1 HKAF CC(C)[C@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351375 GKNZNRPUCRKFJQ-RSXGOPAZSA-N 404.481 5.918 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587352388 JATTYUHYVBTKHT-XTEPFMGCSA-N 424.471 6.142 0 1 HKAF CC1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2O1 587353882 NWVDMXMQOMHJTQ-RDGATRHJSA-N 404.437 5.347 0 1 HKAF CC(C)c1ccc2c(c1)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355826 WOLFAUYAWOODSJ-AHKZPQOWSA-N 416.492 6.245 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C)CC2(C3)OCCO2)c1 587365962 OZPDLLVSLYLTGS-HNNXBMFYSA-N 401.462 5.449 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC(c3ccc(Br)cc3)CC1)O2 587371643 MDMRJIRDXWQLCL-UHFFFAOYSA-N 400.316 5.402 0 1 HKAF COc1cc2c3c(c1)O[C@](Cc1ccc(Cl)cc1)(c1ccc(C)cc1)[C@@H](C2)C3=O 587421142 KHZPZEUJXCRMQZ-SQJMNOBHSA-N 404.893 5.543 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(OC)cc3)cc1)CC2=O 587478267 IRZROPOSMUYGLV-RUZDIDTESA-N 418.489 5.639 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(SC(C)C)nc3sccn13)CC2=O 587501946 ZIXTXWKWFRQBFW-MRXNPFEDSA-N 402.541 5.261 0 1 HKAF Cc1ccccc1-c1nc2ccccn2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587514111 GOXFKSWLBPSTOH-HSZRJFAPSA-N 408.501 5.895 0 1 HKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C1CCCC1 587579974 WMDBUXSPPJHASA-DHLKQENFSA-N 403.478 5.629 0 1 HKAF CCOc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(C)C 587596059 MZWQYGPTWPUJDW-OZXSUGGESA-N 418.489 5.926 0 1 HKAF CC(C)(C)c1cc(N)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587615169 WSUBETSZAFVXDA-WZONZLPQSA-N 409.507 5.210 0 1 HKAF COc1cccc2cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)oc12 587616161 IYNIVBGRWIEMME-GBXCKJPGSA-N 402.402 5.024 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)ccc2Cl)N1 587691412 FSYXOEHMXULWAB-XYZCENFISA-N 403.122 5.693 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1Cl 587695864 SHCYIBUPXKMRCC-VVVCHXIZSA-N 403.122 5.827 0 1 HKAF CC(C)[C@]1(Cc2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587700867 SZFCQPRQLOMOQQ-RBZFPXEDSA-N 410.758 5.870 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)cnc2Cl)N1 587712911 MCOYXNNMBMYJPS-JKYUHCHBSA-N 423.635 5.279 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3c(F)cccc3F)o2)N1 587723180 WNEJAQYPWYDZJF-CFMSYZGJSA-N 422.244 5.750 0 1 HKAF CC[C@H](C)Oc1c(OC)cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587791530 JZEXDICZEFYOQP-KQHSUYLTSA-N 422.338 5.398 0 1 HKAF CCc1cccc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587813048 ANMQRPKZHWYGOK-FYSMJZIKSA-N 424.357 5.977 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)s2)N1 587847564 LHMUHSXXYGLBMK-WJWGPLDTSA-N 405.130 5.036 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccsc3)cc2)N1 587855353 VBTSARUFVREHKR-ODXCJYRJSA-N 402.332 5.940 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2c(C)ccc(C)c2s1 587860762 BODWBOYPGAQMQG-UHFFFAOYSA-N 418.349 6.471 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1c(Cl)cccc1Cl 587862008 YQXMYWLZHQBNPV-UHFFFAOYSA-N 401.215 5.933 0 1 HKAF CC(C)(C)c1ccc(Nc2ncccc2-c2nc(-c3ccc(F)cc3)cs2)cc1 587923268 YXAOOVGRHHDWLM-UHFFFAOYSA-N 403.526 7.052 0 1 HKAF Ic1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1 587958786 JRZIEAWFQSJXTH-UHFFFAOYSA-N 410.258 5.425 0 1 HKAF Cc1ccoc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)c(Cl)c1Cl 653733720 SRKNVVBVQPCTIB-UHFFFAOYSA-N 401.249 5.308 0 1 HKAF c1cncc(COc2ccc3[nH]nc(-c4nc5cc(N6CCCCC6)ccc5[nH]4)c3c2)c1 653827667 GLMOWJZAIYMEMR-UHFFFAOYSA-N 424.508 5.071 0 1 HKAF COc1cc2c(cc1OC)[C@@](c1ccc(C)c(C)c1)(c1cccs1)N(C)[C@H](C)C2 962564347 GTJHODSXGJUUIY-CJAUYULYSA-N 407.579 5.550 0 1 HKAF CC1=C[C@]2(c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c2cc(F)ccc2O1 962635531 IGYOZRSKPSJEGC-HOFKKMOUSA-N 412.508 5.112 0 1 HKAF CC(C)[C@]1(c2ccccc2Cl)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962640825 RGYVQPVJFGXXFG-WNCULLNHSA-N 416.996 5.987 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](Cc2ccccc2Cl)(c2csc(C)c2)N1 962945164 IZIIMJNPKXEICI-UQBPGWFLSA-N 421.009 6.602 0 1 HKAF CCOC(=O)CCC[C@]1(c2cccc(OC)c2)N[C@H](CC)Cc2c1[nH]c1ccccc21 962961349 UNJCPWQEMWEHKY-NIYFSFCBSA-N 420.553 5.078 0 1 HKAF COc1cc(Cl)ccc1-c1cccc([C@@]2(C)NCCc3c(C(=O)O)cccc32)c1 963131753 OGLMXCOHKWEFBW-XMMPIXPASA-N 407.897 5.123 0 1 HKAF CC(C)C(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(c5cccnc5)=CC[C@H]4[C@@H]3CC[C@@H]2C1 1772585110 YRFIBCQGWPFBMW-GVMUJBRCSA-N 420.641 6.258 0 1 HKAF CCOC(=O)c1c(Nc2ccccc2)sc(C(=O)c2cnc3ccc(C)cn23)c1C 1857761575 TVKXBGHYRKKAEJ-UHFFFAOYSA-N 419.506 5.164 0 1 HKAF CC(C)[C@@H](NC(=O)OCc1ccccc1)[P@](=O)(Oc1ccccc1)C(C)(C)C 1911572560 KUGCXRQVZDZMNY-MMTVBGGISA-N 403.459 6.051 0 1 HKAF COc1ccc(/C(C)=C(\CCCC(=O)NCCc2ccccn2)c2ccccc2)cc1 1911573608 WQIJLHZEPPNDQL-YYADALCUSA-N 414.549 5.550 0 1 HKAF CC(=O)OCC=C(C)CCC=C(CCC[C@@H](C)[C@H](O)CC=C(C)C)COC(C)=O 2356461333 BZAVZICHJGLLNC-HYBUGGRVSA-N 408.579 5.289 0 1 HKAF CC(=C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CC(C)C 2356510486 BGSMFVUPLGHSLT-QVJUQYADSA-N 400.691 7.635 0 1 HKAF COc1ccc([C@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)CCC=C(C)C)c3O2)cc1 2356624837 QCPWUZAGZXPQEF-XMMPIXPASA-N 422.521 6.048 0 1 HKAF O=C(O)c1ccc2c(c1)[C@@H](SCCc1nc3ccccc3[nH]1)c1ccccc1CO2 13727048 WJUMLQBIJXGXOC-QHCPKHFHSA-N 416.502 5.219 0 1 HKAF O=C(O)CC/C=C\C[C@@H]1CO[C@H](c2cccc3ccccc23)O[C@@H]1c1cccnc1 13740460 FGBMMJPOIOWZGC-BAXUEIAESA-N 403.478 5.449 0 1 HKAF COc1ccc(-c2cccc([C@@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c2)cc1 13830340 DBKAWFFTGBWKDF-YIKNKFAXSA-N 423.556 6.418 0 1 HKAF CCOP(=O)(OCC)C(C[C@H]1CCC[C@@H](C)C1=O)P(=O)(OCC)OCC 13896620 BNQJDMMEAMHZEJ-HUUCEWRRSA-N 412.400 5.240 0 1 HKAF CC[C@@]12CCCN(Cc3ccccc3)[C@@H]1c1c([nH]c3ccccc13)[C@@H](C(=O)OC)C2 17215205 IBFSIGFORJKEAJ-KHMOSXFSSA-N 402.538 5.562 0 1 HKAF C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 27852905 FYHRJWMENCALJY-CYDOCGOVSA-N 402.663 6.361 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@@H]3CC[C@H]1/C(=C/c1ccc(-c4ccc(C)cc4)cc1)CN2C3 36270896 VRRMSKNGCUBGOY-AJMCBIGXSA-N 401.550 5.339 0 1 HKAF Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(CCC(=O)O)cc1 40556697 IJEJUKTZOQSPOU-UHFFFAOYSA-N 420.456 5.767 0 1 HKAF O=C1C[C@@H](C(F)(F)F)Cc2nc3ccc(Cl)cc3c(-c3ccccc3Cl)c21 42878333 AXVHEOGCZRJWMG-JTQLQIEISA-N 410.222 6.516 0 1 HKAF CCOP(=O)(OCC)[C@@H](NC(=S)N[C@H](C)C1CCCCC1)c1ccccc1 59130118 BLADAJQBXMYKDO-VQIMIIECSA-N 412.536 5.384 0 1 HKAF COc1cc(-c2nc(N)sc2-c2ccc(C(F)(F)F)cc2)cc(OC)c1OC 72108557 FZNRMIHAEKLZBO-UHFFFAOYSA-N 410.417 5.104 0 1 HKAF CCOC(=O)/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)nc1 72112546 OHSMUKXSVGDENQ-XBXARRHUSA-N 403.522 5.498 0 1 HKAF CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1 82134033 FUIKLYGKBSSGIO-UHFFFAOYSA-N 408.590 5.134 0 1 HKAF Cc1nc(-c2cnc(N3CCC(C)CC3)nc2-c2ccc(-c3ccccc3)cc2)oc1C 82176740 HJNMXDFCCOICQW-UHFFFAOYSA-N 424.548 6.319 0 1 HKAF Cc1ccc([C@@H]2N(C)c3ccccc3C(=O)N2c2ccccc2-c2ccccc2)s1 95584310 WJBBMUMVOLXNQG-RUZDIDTESA-N 410.542 6.519 0 1 HKAF O[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H](C1)N2Cc1csc2ccccc12 101185285 VFPMJQLPEIDGKV-FAQVEIGNSA-N 418.389 6.223 0 1 HKAF CC(C)(C)Cc1c(-c2ccccc2)sc(N)c1C(=O)c1cccc(C(F)(F)F)c1 103228498 BXDZYNGNBDRZMV-UHFFFAOYSA-N 417.496 6.836 0 1 HKAF Cc1cnc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1-c1cccnc1 103241173 UAFDZVDQHZXIQL-UHFFFAOYSA-N 409.493 5.460 0 1 HKAF Clc1cccc(N2[C@H](c3ccccc3)[C@@]23C(c2ccccc2)=Nc2ccccc23)c1 103276063 IZQXUWNXUUJNQS-KXNYULQOSA-N 406.916 6.931 0 1 HKAF CCOc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=Nc2nc(C(F)(F)F)nn21 103539444 ZDACHCHZMXYAIC-INIZCTEOSA-N 406.408 5.003 0 1 HKAF CCOc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccc4ncccc4c32)ccc1O 104049994 LHSCXQUFHOHRIK-QHCPKHFHSA-N 414.505 6.189 0 1 HKAF CC[C@@H](Nc1cc(CN2CC[C@@H](C(=O)O)C2)c(Cl)cn1)c1ccc(Cl)c(C)c1 118391853 PKDAZZGPBPTDAM-DNVCBOLYSA-N 422.356 5.167 0 1 HKAF CC[C@@H](Nc1ccc(Cl)c(CN2CC[C@@H](C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 118397570 OYGNRJYNZBHNCE-IIBYNOLFSA-N 421.368 5.772 0 1 HKAF CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccc(C)cc3)c2)CC1 140042851 WDZJELNJAGLPJG-UHFFFAOYSA-N 410.558 5.972 0 1 HKAF Cc1c(C2CC2)nc2ccc(-n3ccc(OCc4ccc(C(C)C)cc4)cc3=O)cn12 223387778 GDZWHMKDWTYIGC-UHFFFAOYSA-N 413.521 5.373 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@@H](C)C[C@@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253952110 XUTZDXHKQDPUMA-YNXKNJMZSA-N 415.706 7.174 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@]1(C)CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255280493 XIGODNYMZQPETQ-WSFVJJBCSA-N 410.686 7.721 0 1 HKAF Cc1ccc2c3c(cc(-c4nc5cc(Cl)ccc5n4C)nc13)-c1ccccc1C2=O 586993459 NTIGRTYJEKFOMX-UHFFFAOYSA-N 409.876 5.962 0 1 HKAF Clc1cncc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc12 586998512 LOZROMUEWWXXKR-SOFGYWHQSA-N 400.663 5.804 0 1 HKAF Fc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1F 587017993 SQNFSTRRVJCXCE-UHFFFAOYSA-N 412.284 5.379 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c21 587030698 JRKLQZMOOOICHX-SNVBAGLBSA-N 403.433 5.282 0 1 HKAF CCCCNS(=O)(=O)c1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c1 587054219 NBENVZHMJXKXHZ-JXMROGBWSA-N 424.353 5.119 0 1 HKAF Cc1onc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1COc1ccccc1Cl 587063343 KRZQGPGZHGIJFD-UHFFFAOYSA-N 419.771 5.080 0 1 HKAF FC(Br)(Br)c1nc2cccc(OCc3ccccc3)c2[nH]1 587086510 BSBKZMYICWJWOY-UHFFFAOYSA-N 414.072 5.012 0 1 HKAF FC(F)(F)c1cccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 587112489 KPJWTZKDZXXVQV-UHFFFAOYSA-N 409.127 6.030 0 1 HKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587113520 MJZQSWUDZBBZJF-CYBMUJFWSA-N 410.443 5.759 0 1 HKAF Oc1ccc(CCCCc2nc3cccc4c3c(c2Cc2ccc(O)cc2)CC4)cc1 587215187 CVZZCGZFGFMJLU-UHFFFAOYSA-N 409.529 5.901 0 1 HKAF Cc1cc([C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1F 587332425 LMJHBWQCISKHHH-UKILVPOCSA-N 406.428 5.643 0 1 HKAF CCCCCCN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587347120 SWWZSSLYTWLKGM-QHCPKHFHSA-N 411.517 5.305 0 1 HKAF COc1cccc2c1[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355700 ZJIPFYBUDCLJEL-ILBGXUMGSA-N 404.437 5.131 0 1 HKAF COc1cccc(-c2cc(-c3c(F)c[nH]c4nccc3-4)nc3c2oc2ccccc23)c1 587360589 PNKYJEWSQMVIMS-UHFFFAOYSA-N 409.420 6.291 0 1 HKAF COc1cccc(-c2c(CCNC(=O)C3CCCC3)cnc3c2oc2ccccc23)c1 587361868 BFPKIURUEFMCKW-UHFFFAOYSA-N 414.505 5.506 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(ccc(OC)c2N)C3)c1 587363562 UEGSXPQKTMGURZ-UHFFFAOYSA-N 408.457 5.819 0 1 HKAF CCOC(=O)C(CC)(CC)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587363578 QUHQPICNBHLTQY-UHFFFAOYSA-N 417.505 6.278 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1N1CCCCC1)O2 587377971 QXNHMIRPWHQSHQ-FQEVSTJZSA-N 415.331 5.037 0 1 HKAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cccc(F)c1 587383509 CPHWQAIJKRNGDK-QHCPKHFHSA-N 421.468 5.401 0 1 HKAF CCOc1ccc([C@]2(c3ccc(Cl)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587419240 DINQWKGIFZCPBY-BWKNWUBXSA-N 420.892 5.439 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1csc4c(Br)cccc14)[C@@H](C2)C3=O 587454522 XYOQVRHZFUEGJA-SGTLLEGYSA-N 401.281 5.161 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(NC(=O)c3ccc(C)cc3)c1)CC2=O 587469118 IJODGBPRUPKZCU-DEOSSOPVSA-N 415.489 5.612 0 1 HKAF CCN(CC)Cc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC 587501932 CWGNTPGIJVUHOM-SANMLTNESA-N 407.554 5.296 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN1CCC[C@H](C)C1 587515250 RLWYKMXSBYEBQL-QYBDOPJKSA-N 419.565 5.512 0 1 HKAF COc1cc(-c2ccc(C=O)cc2)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587524332 MCEZTSFNTCXNLK-AREMUKBSSA-N 412.485 5.760 0 1 HKAF O=C1C[C@@](c2ccccc2)(c2cccc3cc(O)[nH]c23)Oc2c1ccc1c2CCCC1 587526403 QYIQQBAMJWPAMF-HHHXNRCGSA-N 409.485 5.661 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(Cl)ccc1C(F)(F)F 587547679 MAIADKXGPKVRQF-BEFAXECRSA-N 421.758 5.162 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(F)cc1F 587566748 ASPYGCUYJWSUOW-URXFXBBRSA-N 419.383 5.164 0 1 HKAF COc1ccc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587598868 CAIHBLALEBOTFN-SQHAQQRYSA-N 424.452 5.771 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(/C=C/c2ccccc2)cc1 587603725 RFDWTXVAHJUNHZ-MZGGCHSKSA-N 420.464 6.266 0 1 HKAF CC1(c2ccccc2)CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604691 VITPKRDTQINULD-OIEGUCRUSA-N 400.474 5.625 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(Cl)cccc2s1 587618349 NYLRROWETORQHE-KNQAVFIVSA-N 408.862 5.963 0 1 HKAF CC(C)Cc1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625370 HJJRPUTZQWWRMI-UHFFFAOYSA-N 419.796 7.724 0 1 HKAF CCOC(=O)C(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]c2ccc(F)c(Cl)c12 587628194 JPCNMBUWTIVUDT-UHFFFAOYSA-N 414.647 5.680 0 1 HKAF CCOC(=O)c1c(-c2cccc(Br)c2)[nH]c2ccc([C@@H](C)CC)cc12 587639366 SZIICMMIRDZDFY-ZDUSSCGKSA-N 400.316 6.288 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(Cl)c(Cl)c2)N1 587693303 NDKPXHZCIKFLGH-VGDKGRGNSA-N 423.540 6.172 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3cccc(Cl)c3)CC2)N1 587696780 FKOYFUPKADOQON-ZDUSSCGKSA-N 423.757 5.272 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H]2c2ccccc2Cl)N1 587697169 MSVKDDZAYHTXKJ-URFZZILJSA-N 408.742 5.939 0 1 HKAF COc1cc(Cl)cc(F)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587719835 LZPSKHCQJBDANB-RBHXEPJQSA-N 402.666 5.013 0 1 HKAF CCOc1cc(CC[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587800321 FOCGHAWCPXPWNR-ZSEKCTLFSA-N 422.338 5.075 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)CCC[C@]31N[C@@H](C)Cc2cc(Br)c(F)cc21 587802161 KMGLHFFZFHCFLR-WHEQGISXSA-N 413.334 5.492 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H]2CCCCC2=O)N1 587824761 YJNVXDYARUFWGC-AOSWFRPUSA-N 416.334 5.125 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)s2)(C2CCC2)N1 587850085 XBIKBIOYSQSQIN-MLCYQJTMSA-N 414.771 5.881 0 1 HKAF Cc1cc2c(cc1C)[C@]1(CCS2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587857631 MCUCTHRGCNCBAZ-RNODOKPDSA-N 406.364 5.479 0 1 HKAF CCCCOc1ccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 587862213 HTJLTZGCMOALQB-UHFFFAOYSA-N 418.415 5.445 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1c(Cl)cc(C(F)(F)F)c(F)c1F 587870794 IZCFNMROMQDEBS-UHFFFAOYSA-N 420.740 6.028 0 1 HKAF COc1ccc2c(c1)[C@@H](c1c(C)c(C)n(-c3cccc(C)n3)c1C)N(C(C)C)CC2 962095583 VOSAUSKPEGRCIX-SANMLTNESA-N 403.570 5.470 0 1 HKAF Brc1cccc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c1 962628316 AHTMZBYPAPFDMQ-ISKFKSNPSA-N 419.366 5.285 0 1 HKAF CSc1ccc(-c2cccc([C@@H]3NCCc4cccc(-c5ccccc5)c43)n2)cc1 962666902 UALPTSXJJKGIOJ-MHZLTWQESA-N 408.570 6.373 0 1 HKAF CCN(CC)C(=O)c1cc(-c2csc(Nc3cc(Cl)cc(Cl)c3)n2)n(C)n1 1772590357 FCQUWNJFJVFAIW-UHFFFAOYSA-N 424.357 5.076 0 1 HKAF O[C@H]1CN(CC[C@@H](F)Cc2ccccc2)CCc2cc(OCc3ccccc3)ccc21 1857611495 JWHMTILOEMGBNO-SQHAQQRYSA-N 419.540 5.128 0 1 HKAF CCC1CCC2(CC1)S[C@H](C)C(=O)N2NC(=O)c1[nH]c2ccc(Cl)cc2c1C 1911581796 FXUSTPHNFBZGEF-QQKMHPFRSA-N 419.978 5.035 0 1 HKAF CC(COCC(C)=C1[C@H]2[C@H](CC[C@H]2C)[C@]2(C)CC[C@@H]12)=C1[C@H]2CC[C@@]2(C)[C@H]2CC[C@@H](C)[C@@H]12 2356579185 SQOAFQJJZLXFIC-XKKLBMINSA-N 422.697 7.820 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@@H]1CC3 2356657676 PZDUAWZXRQLIQU-GXYGUPMQSA-N 414.718 8.169 0 1 HKAF CC(=CCn1c[n+](C)c2nncc(N)c21)CCC=C(C)CC[C@]1(C)C(C)=CCC[C@H]1C 2356819965 FGSZUHSRIRFSSQ-ATIYNZHBSA-N 422.641 5.674 0 1 HKAF CCSC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCc2ccccc2)c1CC 13672332 XLWZXHTVZPTJDB-UHFFFAOYSA-N 419.546 5.870 0 1 HKAF c1ccc2c(c1)SCCc1c-2n(CCCCCCN2CCCCC2)c2ccccc12 13984869 WXHMGIPWTRAKMK-UHFFFAOYSA-N 418.650 7.003 0 1 HKAF CS(=O)(=O)c1ccc(-c2c(-c3ccc(Cl)cc3)nc3sc(Cl)cn23)cc1 27563122 FORAUJOOUWODMZ-UHFFFAOYSA-N 423.346 5.440 0 1 HKAF CCCOc1ccc(-c2coc3cc(OC(F)F)cc(OCCC)c3c2=O)cc1 28979990 MPPSPYOQYYUHON-UHFFFAOYSA-N 404.409 5.639 0 1 HKAF Cc1ccc(C(=O)Oc2c(C(=O)c3ccc(C)cc3)c(C)nn2-c2ccccc2)cc1 35015191 GKDWLIOVAUQAGT-UHFFFAOYSA-N 410.473 5.248 0 1 HKAF O=C(Cc1nnc(-c2cc3ccccc3[nH]2)o1)Nc1cc(C(F)(F)F)ccc1Cl 36379025 XOHHRLORFWNNIS-UHFFFAOYSA-N 420.778 5.071 0 1 HKAF c1ccc(C(O[C@H]2CCN(c3ccccc3)[C@@H](c3ccccc3)C2)c2ccccc2)cc1 40392797 ILDWELVCCUZQLD-URLMMPGGSA-N 419.568 7.203 0 1 HKAF CC(C)Cc1ccc([C@H](C)c2nnc(COc3ccc(-c4ccccc4)cc3)o2)cc1 40861054 YTMUDZQCIWMQHD-FQEVSTJZSA-N 412.533 6.666 0 1 HKAF CC(C)(C)c1ccc(CNC(=O)c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2)cc1 45187469 AZQXCGNWBRPXTO-UHFFFAOYSA-N 417.940 6.111 0 1 HKAF COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1 49034326 MROMHUAADBQPPJ-UHFFFAOYSA-N 415.276 5.507 0 1 HKAF C[C@H]1CCC([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)=NC1 53175252 JMSRDKIFVZVAMX-AGQBKMEESA-N 413.646 5.404 0 1 HKAF COc1ccc2c(c1)[C@]1(OCCC=C[C@@H]1C)C(=O)N2Cc1ccccc1C(F)(F)F 66123133 YJZPZMMJNUCTRB-NYHFZMIOSA-N 417.427 5.069 0 1 HKAF Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc(C)c(C)o2)c1 82173044 DUGTYSSATNEJPV-YWASFDNLSA-N 416.569 6.206 0 1 HKAF CC1(C)CCc2c(c3ccccc3c3nc(-c4cccc(Br)c4)[nH]c23)O1 95577891 XOTDOYVORUHMJK-UHFFFAOYSA-N 407.311 6.249 0 1 HKAF CC1(C)[C@H]2C[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2/C=C/[C@@H](O)COc1ccc(F)cc1 101500861 FBOACMAKXADYFB-LNWDTGPSSA-N 416.533 5.231 0 1 HKAF Cc1cnc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1Cc1ccccc1 103241185 FTQAJUPQIMHTNT-UHFFFAOYSA-N 422.532 5.989 0 1 HKAF COc1ccc(CN/C(C)=C/c2nsc(Nc3ccc(F)c(Cl)c3)n2)cc1 103946997 VXXLXZCYQSWIQT-FMIVXFBMSA-N 404.898 5.233 0 1 HKAF COc1ccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)cc1Cl 167709239 PEIKUOKFODANIT-UHFFFAOYSA-N 408.874 5.035 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)SCc1ccco1 170044966 PZFYXVJBUZGUQW-AVHBIOJASA-N 400.628 8.185 0 1 HKAF S=c1[nH]nc(-c2c(N3CCCCC3)nc3ccc(Cl)cc3c2-c2ccccc2)o1 205453327 QNSIEZUINFOQFH-UHFFFAOYSA-N 422.941 6.258 0 1 HKAF c1ccc(CN2[C@H]3CCCC[C@@H]3C3=C([C@@H](c4ccccc4)ON3)[C@H]2c2ccccc2)cc1 254127717 AXWBMVPUDJKFSZ-LYWOHPCHSA-N 422.572 6.333 0 1 HKAF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cnccc4[nH]3)cs2)cc1 587013775 BAELJNCVSHFEFU-UHFFFAOYSA-N 407.499 5.019 0 1 HKAF Clc1cc(Cl)cc(-c2nc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)cs2)c1 587015913 YCNCLGBKMFBOJF-UHFFFAOYSA-N 416.120 6.362 0 1 HKAF COc1cc(OC)c2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2c1 587039820 FIPCDFMXXZUHIH-UHFFFAOYSA-N 403.507 5.426 0 1 HKAF CSc1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587073504 JRBFVOWXGUJNSD-XDJHFCHBSA-N 404.966 7.112 0 1 HKAF COc1cccc(/C=C2\CCCc3c2nc2c(C)ccc4c2c3-c2ccccc2C4=O)c1 587099234 WWNNHMMKFVMPMZ-XDJHFCHBSA-N 417.508 6.640 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H]1CN(Cc2ccccc2)C[C@H]31 587106073 LKKXBDYIAOJHDR-CVDCTZTESA-N 416.524 5.608 0 1 HKAF Cc1c(Br)cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2c1C 587148063 ZCRCYHBHOUCXKS-UHFFFAOYSA-N 417.257 5.288 0 1 HKAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 587151460 YVCOJKJKOHFHMY-VWLOTQADSA-N 423.491 6.483 0 1 HKAF Fc1ccc(/C=C(\c2nc3cc(Br)ncc3[nH]2)c2cccs2)cc1 587162509 CIABDPKRBRJFHQ-JYRVWZFOSA-N 400.276 5.510 0 1 HKAF O=C1c2ccccc2-c2c([C@H]3CC[C@@H](C(=O)O)C3)c(-c3ccccc3)nc3cccc1c23 587205932 DONCPYXVEPGPLN-ZWKOTPCHSA-N 419.480 6.082 0 1 HKAF O=C1c2ccc(O)cc2OC2(CCN(c3cccc(F)c3)CC2)[C@@H]1c1ccc(F)cc1 587340124 WXXOBCMDGQFDOK-HSZRJFAPSA-N 421.443 5.069 0 1 HKAF COc1cccc(-c2cc(-c3cccc4nn(C)cc34)nc3c2oc2ccccc23)c1 587364398 VXKHEBKLDKBXFV-UHFFFAOYSA-N 405.457 6.210 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3ccc(Cl)c(C(=O)O)c3)c1)O2 587377792 ZGKZFTAUKWGVHL-NRFANRHFSA-N 407.853 5.302 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1O[C@@H]1C[C@H]3CC[C@@]1(C)C3(C)C)O2 587403593 OXPJWKWZPFGDCK-MZKPQHEZSA-N 405.538 5.877 0 1 HKAF COc1cc2c3c(c1)O[C@]1(CCCc4nc(-c5ccc(Cl)cc5)sc41)[C@@H](C2)C3=O 587450643 GXDKMKNHZPHDSV-QMHKHESXSA-N 423.921 5.451 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(C(F)(F)C(F)(F)F)CC2=O 587460271 HPZQIRNWQKUAHA-SFHVURJKSA-N 400.343 5.403 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1cnn3-c1cccc(C)c1C)CC2=O 587474044 CIUNMSUXIDTEFQ-SANMLTNESA-N 416.521 5.344 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Sc3nc4ccccc4[nH]3)o1)CC2=O 587489678 CZNLIBLMTBLRFQ-FQEVSTJZSA-N 420.490 5.672 0 1 HKAF O=C(O)CC[C@]1(c2ccccc2)CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587530398 UILOHRKMTJLSJW-SVBPBHIXSA-N 418.533 5.646 0 1 HKAF CCOc1ccc(OCC)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587594716 HZLKYDRLPQGZMQ-RCZVLFRGSA-N 420.461 5.067 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(O)cc2)cc1 587606754 FZHFCYHLFDGDNP-ZEQKJWHPSA-N 410.425 5.468 0 1 HKAF CCCCC[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611735 TWYURIMMDBBBMB-DHLKQENFSA-N 404.462 5.535 0 1 HKAF Cc1ccc([C@@]2(c3ccco3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587614933 DQELZCMVAUFDCN-BVAGGSTKSA-N 412.441 5.507 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)cccc2Cl)N1 587691604 GYWBPOYEFZZFCF-XYZCENFISA-N 403.122 5.693 0 1 HKAF CCCCn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587757525 OKQFANPGDZLMLW-PEBXRYMYSA-N 415.350 5.967 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCN(Cc3ccccc3)CC2)N1 587772193 YDRXIPBBCZMGSN-OYHNWAKOSA-N 417.366 5.076 0 1 HKAF Cc1ccc(-c2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)no2)cc1 587790993 DVSOHUNLQKDEQT-YUNKPMOVSA-N 401.279 5.175 0 1 HKAF CC(C)=CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587799978 CZRGWKQHRXGBFB-LHSJRXKWSA-N 404.323 5.557 0 1 HKAF Cc1ccccc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587816325 WMGZFBZOUPBTIF-QMHKHESXSA-N 410.330 5.723 0 1 HKAF Cc1ccc(-c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587817475 CJKYELMDJOUYBW-CMJOXMDJSA-N 410.330 6.187 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc3ccccc3o2)(C(C)(C)C)N1 587831763 YFLQWBOEFUWHOC-MCMMXHMISA-N 416.334 6.158 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3cccc(O)c3)c2)N1 587831930 IKIFJBCXDDGCBG-MCMMXHMISA-N 412.302 5.584 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1nccs1 587852562 HHPOYTXYHOBMEM-MGNBDDOMSA-N 420.351 5.076 0 1 HKAF O=C1CCC(c2ccccc2)(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CC1 587971113 TXVVAIJOBRVWDK-UHFFFAOYSA-N 408.807 5.544 0 1 HKAF C[C@@]1(c2ccc(Br)c(F)c2F)NCCc2cccc(-c3ccccc3)c21 962659938 BLOFIAPBYXZMJH-QFIPXVFZSA-N 414.293 5.804 0 1 HKAF Cc1cccnc1[C@@]1(c2cc(F)cc(F)c2)NCCc2cccc(-c3ccccc3)c21 962669164 PFNKSLWGXRGBCT-MHZLTWQESA-N 412.483 5.773 0 1 HKAF CCC[C@@]1(c2c(C)c3ccccc3n2C)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962731919 UXRZGWBYQWBASD-AUSIDOKSSA-N 414.471 5.176 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CC(=O)c2ccccc2O)(c2ccccc2)N1 962946771 JEODYUVQBNHEMM-XHCCPWGMSA-N 410.517 5.314 0 1 HKAF COc1c(C)cc(-c2csc([C@H]3NCCc4c(Cl)cc(Cl)cc43)n2)cc1C 963117065 CGSPIYNASHPEGN-IBGZPJMESA-N 419.377 5.977 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C[C@H](C)CC(=O)O)c1ccc(C(C)(C)C)cc1 963243455 SLHGPGVJQKJATI-UMQWNRPGSA-N 421.625 6.385 0 1 HKAF Oc1ccc(C2=C(c3ccc(OCCn4ccnc4)cc3)c3cc(O)ccc3CC2)cc1 1857544637 TUTOODTURLUDEL-UHFFFAOYSA-N 424.500 5.279 0 1 HKAF O=c1cc(OC[C@@H](Oc2ccccc2)c2ccccc2)ccn1-c1ccc(F)cc1 1857571314 ZYNRCWCGFNGJNT-XMMPIXPASA-N 401.437 5.176 0 1 HKAF O=C(O)[C@H]1CN(c2nc3ccc(Cl)cc3s2)Cc2[nH]c3ccc(Cl)cc3c21 1857593174 BYJDTHPWMFKQDG-LBPRGKRZSA-N 418.305 5.273 0 1 HKAF COc1ccc(SCc2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)cc1OC 1857593522 HAJDHHBICNMLBP-SDNWHVSQSA-N 420.534 5.230 0 1 HKAF Cc1c(Cl)cccc1NC(=O)c1cc(-c2cc3ccccc3o2)nc2ccccc12 1911582081 CEGHUWYGHUSVFU-UHFFFAOYSA-N 412.876 6.862 0 1 HKAF O=C(NC1CCCCC1)c1ccc(-c2ccc(C(=O)NC3CCCCC3)s2)cc1 1911583887 JUFIRGSNBFZAKY-UHFFFAOYSA-N 410.583 5.540 0 1 HKAF CC(C)=C1CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@]3(C)CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@]21C 2356578901 KMYLCLHUHCGKRS-IRJVFTMBSA-N 424.757 9.588 0 1 HKAF C[C@@H]1CC[C@@H]([C@H](C)[C@@H]2C[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2)NC1 2356735205 DADHFMSASPSIMH-AVPUBDQASA-N 415.662 5.209 0 1 HKAF O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(Cc2ccccn2)CC1 12318191 SNLRHQHRYPTEMF-UHFFFAOYSA-N 405.929 5.253 0 3 HKAF CC(C)c1cc(C(C)C)c([P@@]2(=O)C[C@H]3C(Cl)(Cl)[C@@]3(C)C2)c(C(C)C)c1 1658030 PKOMNWPTRSMZCM-KNOQFWTLSA-N 401.358 6.869 0 1 HKAF O=[P@](O)(Oc1cccc(C[n+]2ccsc2)c1)Oc1cccc(-c2ccccc2)c1 13454827 JJOLMVXXTFLOLP-UHFFFAOYSA-O 424.438 5.309 0 1 HKAF COc1ccc2c(c1)CC[C@@H](Cc1cc(C(F)(F)F)ccc1C(F)(F)F)C2=O 13675267 NATHUNAFCLWXGA-LBPRGKRZSA-N 402.334 5.721 0 1 HKAF O=C(Nc1cccc2cnccc12)N[C@H](c1ccc(C(F)(F)F)cc1)C1CCCC1 14973728 CPRZRDRNFRKJNI-NRFANRHFSA-N 413.443 6.307 0 1 HKAF COc1cc2c(c(C)c1C)O[C@@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC2 27618917 KGMRWPGSRWJUKG-LQOPMENNSA-N 424.669 8.595 0 1 HKAF O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccnc1NCc1ccncc1 28957075 IRJYTBZJDRZLFV-UHFFFAOYSA-N 406.795 5.013 0 1 HKAF Cc1cc2c(s1)c1cnn(Cc3ccccc3F)c(=O)c1n2Cc1ccccc1F 36380241 YSOSFTCDXSKARE-UHFFFAOYSA-N 421.472 5.096 0 1 HKAF CCC/C=C(\CCC)[C@H](NS(=O)(=O)c1cccs1)c1ccc(C(=O)OC)cc1 38179204 YHWFKGRHVXBCSC-ZYEUVFMNSA-N 421.584 5.081 0 1 HKAF C[C@H](Nc1nc(N)ncc1Cl)c1cc2cccc(Cl)c2nc1-c1ccccn1 43198041 BIRVZWFKLATGSX-NSHDSACASA-N 411.296 5.149 0 1 HKAF CCCOc1ccc(Oc2ccc(-c3ccc([C@@H](C)NC(=O)C4CC4)cc3)cc2)cc1 45320473 AYGWGWNIOWPSLC-LJQANCHMSA-N 415.533 6.522 0 1 HKAF O=C1C(=O)N(Cc2ccc(Oc3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 45390977 HRSJEMJKLHWGLF-UHFFFAOYSA-N 413.351 5.107 0 1 HKAF COc1ccc2c(c1OC1CCCC1)OCC[C@@H]2Nc1c(Cl)cncc1Cl 49089838 JSIJDONSUVBYPF-INIZCTEOSA-N 409.313 5.654 0 1 HKAF Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@@H](c1cccc(F)c1)C1CC1 53294780 ZTYSMOMJVIYXJW-AREMUKBSSA-N 410.492 6.230 0 1 HKAF CCCCCc1nc(-c2cnc(N3CCCCC3)nc2-c2ccccc2F)oc1C 82175679 PUSDUHUULCDAQD-UHFFFAOYSA-N 408.521 5.969 0 1 HKAF CC[C@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCc3ccccc3)ncnc21 82178238 HCAXLUPLIBBZMT-KRWDZBQOSA-N 401.514 5.160 0 1 HKAF CC1=NC(C)=C(C(=O)O)[C@H](c2cccc(C)c2)/C1=C(\O)OC/C=C/c1ccccc1 100061661 PCEJWTDHGBEYCE-XHKAFXFZSA-N 403.478 5.411 0 1 HKAF Brc1ccc(C2=C(c3cc(-c4ccccc4)no3)[C@H]3CC[C@H](C2)S3)cc1 101389072 HWUDNPRGWFSDEO-DYESRHJHSA-N 424.363 6.683 0 1 HKAF O=S(=O)(c1ccccc1)N(Cc1ccc(Cl)cc1)c1cc2ccccc2s1 115228616 YPTCZFQBJPZTKG-UHFFFAOYSA-N 413.951 5.950 0 1 HKAF CN1CC2CCC1([C@H](NC(=O)c1c(Cl)cccc1Cl)c1ccccc1)CC2 145644429 SXXVTNWHZXGLDD-YOMPXFNTSA-N 403.353 5.339 0 1 HKAF CC1(C)CCC(C)(C)c2cc([C@@H](Cc3ccc(C(=O)O)cc3)[Si](C)(C)C)ccc21 195371530 UCWAYRMSOWMJRG-HSZRJFAPSA-N 408.658 6.938 0 1 HKAF COc1ccc(-c2ccccc2[C@@H]2[C@H]3C=CCC[C@]3(C)C(=O)N2Cc2ccccc2)cc1 253961002 HSBMVFCIUCQNEN-QQJNOOCOSA-N 423.556 6.418 0 1 HKAF CCC[C@H](CC)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255202987 CPLVWRYIIKOCEQ-QSAGBMRRSA-N 414.718 8.169 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]([C@@H](C)/C=C/C(C)C)[C@]4(C)CC[C@H]32)C1 255216953 HJWVRQICRBWPME-BSGHPWLASA-N 412.658 7.345 0 1 HKAF COc1ccc(-c2c(C)c3cc(-c4ccc(C=O)cc4)ccc3oc2=O)cc1OC 299840989 XFGRREWYNXVKII-UHFFFAOYSA-N 400.430 5.265 0 1 HKAF Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)NCC2CC2)c1 299885772 VZRQAPJCKSAJDA-MWRLGJARSA-N 418.585 5.074 0 1 HKAF CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C\c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991894 RHNATHJHIHLEJM-RJMQSIHXSA-N 409.529 6.794 0 1 HKAF Brc1cc(/C=C/c2nc3ccc4c(c3[nH]2)CCCC4)cc2c1OCCO2 587001731 PVOQAGNFARBUEM-VMPITWQZSA-N 411.299 5.146 0 1 HKAF Clc1cc(Cl)cc(-c2nc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)cs2)c1 587015335 MMUKGLIPIHGFQN-UHFFFAOYSA-N 415.132 6.967 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c21 587030342 DDVZMIGTCMYGGJ-GFCCVEGCSA-N 401.457 6.541 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587033905 KFIPCOBTDOILJN-GFCCVEGCSA-N 419.884 5.980 0 1 HKAF N[C@@H](Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1ccccc1Cl 587058666 IAAQTCNURSUISI-INIZCTEOSA-N 404.926 5.736 0 1 HKAF Fc1cccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 587063964 GPKWJNMJATYBON-UHFFFAOYSA-N 405.860 6.056 0 1 HKAF CC(C)CCOc1cc2nc([C@@H](C)n3cc(Cl)cn3)[nH]c2cc1Br 587078902 CWSHHAWHDFOELS-LLVKDONJSA-N 411.731 5.210 0 1 HKAF FC(F)(F)c1cc(Br)cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587079900 IMECWVDJWYGWBV-CYBMUJFWSA-N 417.612 5.674 0 1 HKAF Cc1ccc2c3c(c(C4CCCCC4)c(-c4ncccn4)nc13)-c1ccccc1C2=O 587096534 HZSCNPRTROUKAG-UHFFFAOYSA-N 405.501 6.259 0 1 HKAF CCOC(=O)Cc1nc2c(C)ccc3c2c(c1C1CCCCC1)-c1ccccc1C3=O 587097974 POSZYMBJCDGQJK-UHFFFAOYSA-N 413.517 5.908 0 1 HKAF CC(C)[C@@H](c1nc2c(F)c(F)c(F)c(F)c2[nH]1)N(C)C(=O)OCc1ccccc1 587197574 IHQHHSVWZKDUKF-SFHVURJKSA-N 409.383 5.085 0 1 HKAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587259056 WLRGALGZUFZVTD-HNNXBMFYSA-N 414.843 5.066 0 1 HKAF C[C@]1(c2ccc(Cl)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339114 YCOITHYZMSGICF-RBBKRZOGSA-N 400.808 5.598 0 1 HKAF Cc1cc2c(cc1C)[C@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354217 ALSUUHBVCWEQPO-AHWVRZQESA-N 418.464 5.575 0 1 HKAF CCOC(=O)[C@H]1CCCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587362304 JAJPDVIFTOTRBZ-IBGZPJMESA-N 401.462 5.640 0 1 HKAF COc1cccc(-c2cc(-c3nc4ccccc4nc3C)nc3c2oc2ccccc23)c1 587363605 RCJCIYYDPHRJKS-UHFFFAOYSA-N 417.468 6.575 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(C)c(C)c4)[nH]c4ccccc14)[C@@H](C2)C3=O 587438314 NHBPMSFKSQVQTP-DCFHFQCYSA-N 409.485 5.949 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1OC[C@@H]1CCCO1)CC2=O 587459074 BIIREZMALXECAY-NYHFZMIOSA-N 416.901 5.262 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(-c3ccc(C)cc3C)c1Cl)CC2=O 587461309 MDIIZCBGZVVARW-OAQYLSRUSA-N 424.928 5.816 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H]1O[C@H]1c1ccccc1)CC2=O 587491095 NCXMQXPZFDXNLD-AYRHNUGRSA-N 400.474 5.346 0 1 HKAF CN(C)c1ccc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587503291 NOSFHSGRLLEWND-FQEVSTJZSA-N 400.316 5.100 0 1 HKAF CCC[C@@]1(c2ccc3c(c2)nc(S)n3CC)CC(=O)c2ccc3c(c2O1)CCCC3 587530326 BZFNKCUIBHSYEQ-VWLOTQADSA-N 420.578 5.885 0 1 HKAF Cc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(N)ccc1S2 587538638 QOSHRFONHPQBJU-SANMLTNESA-N 413.542 5.830 0 1 HKAF Cc1cccc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)nc12 587550822 BSOYILPEAQRPMX-CVDCTZTESA-N 417.848 5.605 0 1 HKAF C[C@]1(c2ccc(F)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551294 ZKYJHQMPPJIKRI-GHTZIAJQSA-N 418.342 5.427 0 1 HKAF Cc1cc(OC(F)(F)F)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557425 RNQAAFQTSBZTHT-GHTZIAJQSA-N 416.351 5.302 0 1 HKAF CC(C)COc1cccc(OCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587566079 SWHMYBMTYUUYPY-UHFFFAOYSA-N 414.811 5.729 0 1 HKAF Cc1ccc(-c2csc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)cc1 587613765 QCBYKDXLYCYBAO-NZQKXSOJSA-N 415.470 5.527 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cc2ccccc2)s1 587614157 RJJJSMSBUKDVJF-RCZVLFRGSA-N 414.482 5.747 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCCC2)s1 587614781 UIGDVUPSZJOJAP-NZQKXSOJSA-N 407.491 5.147 0 1 HKAF Fc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccccc2Br)cc1 587630921 SWIVDVFHNYDYNU-UHFFFAOYSA-N 418.668 7.196 0 1 HKAF Cc1ccc(O)c(C(=O)c2c(-c3ccc(Cl)cc3)[nH]c3c(C(=O)O)cccc23)c1 587638723 OSWQMDHGWGCGQO-UHFFFAOYSA-N 405.837 5.432 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(-c3ccccc3Br)c2c1 587639336 RXGTWSUVAURXQD-MRXNPFEDSA-N 404.351 7.778 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)c(-c3nc4ccccc4o3)c2c1 587644161 OMVPILDNMCYDAJ-SFHVURJKSA-N 422.572 8.454 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCNc3cc(Cl)ccc32)N1 587692186 ATJSMUYTPHNRFH-NSPYISDASA-N 409.730 5.225 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc(Cl)ccc3n2C)N1 587699591 QYHWFNFLNFKDRF-APBUJDDRSA-N 407.714 5.357 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC=C2NNc2ccccc2)N1 587751593 YKDLOKGIIHNUAE-SPLOXXLWSA-N 416.338 5.002 0 1 HKAF COc1cccc(OCc2ccc(-c3nc4cc(OC(F)(F)F)ccc4[nH]3)cc2)c1 587781649 XTNOGWXMRUGJKU-UHFFFAOYSA-N 414.383 5.716 0 1 HKAF CCC[C@@H](CC1(c2nc3ccnc(OC)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782616 VQQCMDVWDCOZLS-IBGZPJMESA-N 421.541 5.328 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2C(Cc2ccccc2)(Cc2ccccc2)N1 587814553 UIYXXENPPOPTDK-KRWDZBQOSA-N 424.357 5.803 0 1 HKAF Cc1ccc(SC(C)(C)[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587841844 SCBYBUUZIWTINU-YJYMSZOUSA-N 408.380 6.043 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccsc3)cs2)N1 587850172 XWANDOXGQKSAMW-XTZNXHDOSA-N 408.361 6.002 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc(Cl)cc1 587863989 AOZSUYQDQXCOLE-UHFFFAOYSA-N 424.806 5.340 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@@]1(c1cccnc1)c1cccc(Cl)c1 962396213 FPHYGJSBRUPMJS-DEOSSOPVSA-N 419.981 5.485 0 1 HKAF CC1(C)COC2(C[C@@H]3C[C@]4(C[C@@H]3C2)NCCc2cc(-c3ccccc3)ccc24)OC1 962669915 SWJNIVGSVDZXRS-QXSURTEESA-N 403.566 5.284 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C[C@H](C)CC(=O)O)(c2ccc(C)c(OC)c2)N1 962953163 KOWRGTHYVQRHLL-LLFIXNMYSA-N 420.553 5.154 0 1 HKAF Cc1ccc2c(c1)[C@]1(C=C(c3ccccc3Cl)O2)NCCc2nc3ccccn3c21 962988378 YDOZKWHDPCZZRD-VWLOTQADSA-N 413.908 5.119 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]2(CCc1ccc(Cl)cc1)c1ccccc1 963100645 CGZVLUFZCWRTHV-AHWVRZQESA-N 405.944 6.376 0 1 HKAF CCOC(=O)CCCC[C@]1(c2cc(C)cc(C)c2)c2ccc(F)cc2C[C@H]2CCCN21 963105083 ISYCREXXFBPCHA-SQHAQQRYSA-N 423.572 5.830 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]2(c1ccc(Cl)nc1)c1ccc(F)c(F)c1 963105179 LZGWYNFZBSECEK-MBSDFSHPSA-N 414.858 5.465 0 1 HKAF CCc1ccc([C@]2([C@H]3CC[C@H](C(=O)O)CC3)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963108866 PLTHMNPBNMQECR-ZMQODUKBSA-N 421.556 5.543 0 1 HKAF Cc1c([C@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)oc2ccccc12 963184076 PUEFALQIUBYYEV-WBVHZDCISA-N 409.791 5.102 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]12C=C(c1cccc(O)c1)Oc1ccc(O)cc12 963228198 KZJKDSFHKKDWPY-MYUZEXMDSA-N 413.517 5.432 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@H]2c1ccc2oc(C(=O)c3ccccc3)cc2c1 963260483 XEHFJQJSYLMWDA-DEOSSOPVSA-N 417.892 5.561 0 1 HKAF O=C(Nc1ccc(-c2ccccc2)cc1)[C@H]1CCCN1c1ccc(-n2ccnc2)cc1 1772588832 NKGJSYNBNHQSCL-RUZDIDTESA-N 408.505 5.147 0 1 HKAF COc1cc(-c2nc(O)c3ccccc3n2)ccc1Oc1ccc(Cl)cc1Cl 1857615576 DCUUDKCZMLDTLL-UHFFFAOYSA-N 413.260 6.110 0 1 HKAF CC(C)CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)C=C[C@@]3(CC[C@@H]2[C@@]1(C)C(=O)O)C4 2356384031 JGWDLHUEZNKLAX-YYVCGCKNSA-N 402.575 5.608 0 1 HKAF CCC=CCCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O 2356435783 OSXBYONEOVGKOX-UHFFFAOYSA-N 402.619 8.061 0 1 HKAF CC(C)=CC[C@H](O)C(C)=CCCC(C)=CCC[C@@]1(C)CCc2cc(O)cc(C)c2O1 2356463168 RFIIOYJLKCYOCK-BDYUSTAISA-N 412.614 6.955 0 1 HKAF CC(C)=CCC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356507579 XZEUYTKSAYNYPK-JEBXEDTKSA-N 412.702 7.779 0 1 HKAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(CSc4ccccc4)nc3[C@H](C)[C@@H]21 2356619570 KJMYEPALBFHMKS-XPTKJRCESA-N 413.608 5.689 0 1 HKAF CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1Nc1cc(C)ccc1OC 2455784 LCQLXIIHHBCFKT-UHFFFAOYSA-N 400.862 5.134 0 1 HKAF NCCCCCC(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12 13440128 PEMUNVXTVRPTAA-UHFFFAOYSA-N 410.561 6.041 0 1 HKAF c1ccc(Cn2c3ccccc3c3ccc(OCCO[C@@H]4CCCCO4)cc32)cc1 27309505 PYHJJGFJZZNYFQ-AREMUKBSSA-N 401.506 5.765 0 1 HKAF CS(=O)(=O)Nc1ccc2oc(N[C@@H](CC3CCCCC3)c3ccccc3)nc2c1 28007021 ZQCKPCYOQVFOSZ-IBGZPJMESA-N 413.543 5.323 0 1 HKAF COc1c(CO)cc(-c2ccc(/C=C/C(=O)O)cc2)cc1C12CC3CC(CC(C3)C1)C2 28825688 QQFQEBQDBPRKHI-QPJJXVBHSA-N 418.533 5.420 0 1 HKAF CCCc1cc(=O)oc2c3c(c4c(c12)O[C@H](c1ccccc1)C=C4)OC[C@H](C)C3=O 29133416 JZQJFDHWXUEDTM-KSSFIOAISA-N 402.446 5.104 0 1 HKAF O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(-n2cccc2)ccc1O 38498595 MLSHOVOUZVUGJR-UHFFFAOYSA-N 414.305 5.473 0 1 HKAF O=C(CN1CCC(Cc2ccccc2)CC1)c1c[nH]c2ccc(Br)cc12 40379526 ZBVCONZWRSVBMB-UHFFFAOYSA-N 411.343 5.068 0 1 HKAF CSc1nc(-c2ccnc(N[C@@H]3CCc4ccccc43)c2)c(-c2ccc(F)cc2)[nH]1 40430810 PBUYEKLDYWMODR-HXUWFJFHSA-N 416.525 6.099 0 1 HKAF CN(C)CCCOc1ccc(CNCc2cccc(Oc3ccc(Cl)cc3)c2)cc1 45167647 FQCFMFOVSZIUHD-UHFFFAOYSA-N 424.972 5.753 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3\C[C@@H](O)[C@@H]4O[C@@H]4C3)CCC[C@@]21C 49014391 RGZNSLRVRXXNJK-GAXSSIJPSA-N 402.619 5.555 0 1 HKAF CCCCN(CCCC)C[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 73160601 BKRXEDXQIQRTKG-QHCPKHFHSA-N 411.586 5.144 0 1 HKAF CNc1nc2cnc(-c3ccccc3Oc3ccccc3)cc2n1Cc1ccccc1 82083736 RGQQAMAULGGIIU-UHFFFAOYSA-N 406.489 5.981 0 1 HKAF COc1ccc(OC[C@H]2Cc3ccccc3CN2C(=O)c2cccc3ccccc23)cc1 84669495 VHTZNFJYXITWNQ-HSZRJFAPSA-N 423.512 5.495 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 85601676 DGJHBFBQAQKVKB-GSQFFBPDSA-N 414.718 7.737 0 1 HKAF C=C(c1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1-c1ccc(OC)cc1 95593765 QETMRDFWBNBUNE-UHFFFAOYSA-N 406.478 5.458 0 1 HKAF CCN(CC)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccc4ccccc4c32)cc1 100704203 JQIVLLADNRIRDU-SANMLTNESA-N 424.588 7.536 0 1 HKAF Cc1nc2c(N3CCN([C@H]4CC[C@H](c5c[nH]c6ccccc65)CC4)CC3)cccc2[nH]1 101181351 HGUJUMWPWRLWAO-BGYRXZFFSA-N 413.569 5.201 0 1 HKAF Brc1ccc2[nH]c(CCc3cc4ccc(Br)cc4[nH]3)cc2c1 103259910 MDZDTBQFIUIPAE-UHFFFAOYSA-N 418.132 5.959 0 1 HKAF OC1=C2C(=Nc3nc(SCc4ccccc4F)nn3[C@H]2c2cccc(O)c2)CCC1 104056796 UTHVDGWJMQBZSR-FQEVSTJZSA-N 422.485 5.087 0 1 HKAF FC(F)(F)Oc1cccc(-c2ncccc2CC(c2cccnc2)c2cccnc2)c1 114777637 OPKIDMJRRILWGI-UHFFFAOYSA-N 421.422 5.812 0 1 HKAF CCCCCCCNC(=O)Oc1cccc(-c2ccc([C@@H](C)C(=O)O)cc2F)c1 143603062 OXPBQFRXFBRBJC-MRXNPFEDSA-N 401.478 5.740 0 1 HKAF CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C[C@@]2(O)c1ccnn1C 169293827 HEESPKVKRSKCJE-HOZJOUCCSA-N 400.563 5.243 0 1 HKAF Cc1cc(C(F)(F)F)ncc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2c1 222884977 RNYAXZNOXMYGSC-UHFFFAOYSA-N 405.782 6.412 0 1 HKAF CO[C@H]1CC(c2ccc[nH]2)=N[C@]12O[C@@H](C)C[C@@H]1CCCCCCCc3ccc([nH]3)[C@H]12 238749723 JPTGQNMDWMSVSF-OJDBHETBSA-N 409.574 5.352 0 1 HKAF CCc1ccc(-c2nc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)cs2)cc1 587016285 UGNGKDZGIDAYDZ-UHFFFAOYSA-N 405.470 6.528 0 1 HKAF Cc1nc(COc2cccc(-c3nc4cc(Br)cc(F)c4[nH]3)c2)cs1 587020187 GIOYUISQJAMJMM-UHFFFAOYSA-N 418.291 5.475 0 1 HKAF COc1cc(/C=C\c2nc3ccc(SC)cc3[nH]2)cc(Cl)c1OCC(C)C 587045976 BGCKTYPIFXNCPV-YVMONPNESA-N 402.947 6.152 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 587072214 OWANCUNTFFWOBS-DPECCEGWSA-N 413.308 5.818 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(C3(Cc4ccc(Cl)cc4)CC3)nc2c1 587072966 AGVSRWRXTLZESZ-UHFFFAOYSA-N 418.768 6.528 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(C)cc(F)c4[nH]3)c(Cl)cc12 587078556 VTKZBLHPNIFMAA-GFCCVEGCSA-N 414.864 5.863 0 1 HKAF C/C=C/COc1ccc(Cc2c(C)nc3cccc4c3c2-c2ccccc2C4=O)cc1 587105851 FPOYBMRLOCYERV-ONEGZZNKSA-N 405.497 6.300 0 1 HKAF FC(F)(F)Sc1ccc(/C=C/c2nc3ccc(Br)nc3[nH]2)cc1 587126203 VZPQFZAYCWYAEU-FPYGCLRLSA-N 400.223 5.503 0 1 HKAF COc1cccc(-c2cc([C@@H]3C[C@@H]3c3ccc(F)cc3)nc3c2oc2ccccc23)c1 587360762 SARWEYBHXYIKDP-FYYLOGMGSA-N 409.460 7.067 0 1 HKAF CC(=O)N(c1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1)c1c(C)cccc1C 587413821 PIYUTZRLSVZEQD-HXUWFJFHSA-N 421.522 5.042 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4cccc(C)c4)c(OC)c1)[C@@H](C2)C3=O 587442051 IFAGXDVTLQVPNL-RXFWQSSRSA-N 416.473 5.080 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3ccc(C(C)C)cc3)o1)CC2=O 587479508 IJAFMZCYAGKUCV-VWLOTQADSA-N 420.505 6.347 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCSc3ccc(Br)cc31)CC2=O 587495990 QWSHFGRFLLOFOO-FQEVSTJZSA-N 419.340 5.464 0 1 HKAF CCC[C@@]1(c2cc(Br)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587502415 DLVRAIXGWIQZBV-QFIPXVFZSA-N 417.318 6.128 0 1 HKAF O=C1C[C@@H](C(c2ccc(F)cc2)c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587506592 KXJGPFPBIZRLJU-DEOSSOPVSA-N 404.456 6.010 0 1 HKAF O=C1C[C@H](c2ccc(C(F)(F)F)cc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587510772 YFXWWGMRRABZBM-GOSISDBHSA-N 414.345 6.310 0 1 HKAF O=C1C[C@@H](c2cc(C(F)(F)F)ccc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587511004 ZMKBYKQWFRHNME-SFHVURJKSA-N 414.345 6.310 0 1 HKAF O=C(O)C[C@@H]1CCC[C@H](c2ccccc2)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587529164 JYFKPJGBQMUJQV-IATMXGELSA-N 404.506 5.328 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ccc(Cl)cc2n1 587555244 ZLVPWIGINRRCDS-OFNKIYASSA-N 403.821 5.297 0 1 HKAF Cc1cc(Cl)cc2c(C(O)(C(F)(F)F)C(F)(F)F)c(-c3ccccc3)[nH]c12 587624293 JZUYHVXOFCBANR-UHFFFAOYSA-N 407.741 6.109 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3c(-c4ccccc4Cl)noc3C)c(C(=O)OC)c2c1 587639577 ABYNMTLGJUTALK-ZDUSSCGKSA-N 422.912 6.752 0 1 HKAF COc1cc(C)c(Cl)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587691397 FMNIWQUEFDBMKO-JEOXALJRSA-N 412.730 5.356 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCOc3ccc(Cl)cc32)N1 587694511 GZXCBKXBLPQGST-JEOXALJRSA-N 410.714 5.192 0 1 HKAF Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1Cl 587696877 UQJZYELIFBHLBI-XYZCENFISA-N 403.122 5.827 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3cccc(F)c3)s2)N1 587731454 LYHISFRYJMEYPT-MLCYQJTMSA-N 421.310 5.474 0 1 HKAF CC[C@H](C)Oc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587798287 ZQAGFLBJKZJTTD-RRMDADRESA-N 422.338 5.398 0 1 HKAF CC(C)C[C@@]1(CCc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587810176 CCBNVKCUDLZYRE-OPAMFIHVSA-N 404.367 5.997 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC23CC4CC(CC(C4)C2)C3)N1 587814863 WJYIUVVDIXJCPX-IZLCJXSQSA-N 406.383 5.944 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CCc4ccccc43)CC2)N1 587818304 QBOSOHZWVWQTPE-CGDGTSQQSA-N 414.362 5.776 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cccs2)(c2cccs2)N1 587852483 LLBSKWPUVNDYSQ-HXPMCKFVSA-N 422.388 5.732 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3sc4ccccc4c32)N1 587855012 FDGBWXYRICCEJC-YBTHPKLGSA-N 402.332 5.527 0 1 HKAF Cc1nc(-c2ccccc2)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587856070 XUDHFRWVGHELET-NSPYISDASA-N 417.347 5.644 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(Cl)cccc3s2)N1 587858438 QOLDPELQJNQYOB-NIVTXAMTSA-N 410.739 6.080 0 1 HKAF C[C@@]1(Cc2cccc(C(F)(F)F)c2)NC2(CC2)Cc2ccc(Br)cc21 961329837 ZRZLOJBYCLYBEG-SFHVURJKSA-N 410.277 5.604 0 1 HKAF Brc1ccc2c(c1)[C@@](Cc1ccccc1)(C1CCCCC1)NC1(CC1)C2 961617212 UJDCTRNIGXFNDK-XMMPIXPASA-N 410.399 6.146 0 1 HKAF Cc1ccc(Oc2ccccc2[C@H]2c3ccsc3CCN2Cc2ccco2)cc1 962706048 GYEICIYNTVEZRI-VWLOTQADSA-N 401.531 6.590 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CNC2CCCCC2)(c2ccc(F)cc2)N1 962957833 ZKGMDSVVCZLVKR-FQRUVTKNSA-N 405.561 5.397 0 1 HKAF CC(C)c1ccc(-c2n[nH]cc2[C@H]2c3ccsc3CCN2Cc2cccnc2)cc1 963004107 FMMMCKIUWNJJLI-RUZDIDTESA-N 414.578 5.804 0 1 HKAF CCCN(CCC)C(=O)Cc1c(-c2ccc(CCCF)cc2)nn2c(C)cc(C)nc12 1772579937 XCBVVJWUAVADQL-UHFFFAOYSA-N 424.564 5.106 0 1 HKAF O=C(Cc1ccc2c(c1)OCO2)Nc1ccccc1-c1cccc2c1[nH]c1ccccc12 1857756641 KJJIAHOYYWATQH-UHFFFAOYSA-N 420.468 5.898 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356538429 DDJMOMHMVFXEQF-UWOLELHYSA-N 400.691 7.923 0 1 HKAF C=CC(CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)=C(C)C 2356801114 RIXVWIRLMZEPNM-SJQQJJQDSA-N 412.702 7.945 0 1 HKAF CCCn1c([C@@H]2CCCN2c2nc(-c3ccc(OC)cc3)cs2)nc2ccccc21 15937203 MDBAGKUSUOFNKH-QFIPXVFZSA-N 418.566 5.920 0 3 HKAF Cn1c(O)c(C(=O)C[C@@H](Sc2ccccc2)c2ccccc2)c(=O)c2ccccc21 3846526 BAIUTWCIEBBCRA-JOCHJYFZSA-N 415.514 5.351 0 1 HKAF biogenic CC1=C[C@H]2c3c(CCC(=O)c4ccc(O)cc4O)ccc(O)c3OC(C)(C)[C@@H]2CC1 13373032 WHRKASUSXQKVPY-RTBURBONSA-N 408.494 5.230 0 1 HKAF biogenic CCCC[C@@H](O)C[C@H](O)CCCCCCCCCCC(=O)c1c(O)cc(O)cc1O 13380843 FBFXIJVFPQRQJE-RTBURBONSA-N 424.578 5.189 0 1 HKAF biogenic O=C(O)c1ccccc1-c1ccc(Cn2c(-c3ccccc3)nc(Cl)c2CO)cc1 13823680 VQODPKVVUUVJQP-UHFFFAOYSA-N 418.880 5.109 0 1 HKAF COc1cc(O)c(C(=O)CCc2ccccc2)c2c1[C@@H]1C[C@@](C)(CC[C@H]1C(C)C)O2 14441504 MXMTZYMWKKCEJA-GNBJCERTSA-N 408.538 5.907 0 1 HKAF CC(C)=CCC/C(C)=C/COc1ccc2ccc(=O)oc2c1I 26376599 IPYMRNLHZVHHJI-SDNWHVSQSA-N 424.278 5.469 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\CCCC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 27626863 DPKRCJJVMWZZGG-KKSICHDYSA-N 424.669 8.682 0 1 HKAF COc1ccc(-c2nc(C(=O)N3CCCCC3)sc2-c2ccc(OC)cc2)cc1 28219462 AXIFXSZXLXOZQX-UHFFFAOYSA-N 408.523 5.120 0 1 HKAF CCCCNC[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 28223970 QUSODUKQARGYJT-HSZRJFAPSA-N 415.364 6.146 0 1 HKAF C[C@@](CO)(CCCCC(=O)CCCC[C@@](C)(CO)c1ccccc1)c1ccccc1 28396264 OCDKZSIVJWVBQD-SVBPBHIXSA-N 410.598 5.577 0 1 HKAF Cc1ccc2c(N3CCCCC3)c(Cc3ccccc3)c(N3CCCCC3)nc2n1 32037641 FFVWOZICYDDZMW-UHFFFAOYSA-N 400.570 5.510 0 1 HKAF CC[C@@H](C)/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)CC/C=C(\C)CCC=C(C)C 36330313 YMTDZEGWTFXVOA-KBOIVQAOSA-N 424.411 5.658 0 1 HKAF CC(C)N(C(=O)[C@@H]1C[C@@H]2CC[C@H]3[C@H](CC[C@@]4(C)[C@H]3CCC(=O)N4C)[C@@]2(C)C1)C(C)C 40519843 VMAUAPIAAHKASV-CXEBFRACSA-N 416.650 5.111 0 1 HKAF CC(C)C[C@@H](C(=O)O)c1ccc(-c2ccc(C(F)(F)F)cc2)c(OCC2CC2)c1 43203474 DULVNBRVOVPTNC-HXUWFJFHSA-N 406.444 6.376 0 1 HKAF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NCc2ccccc2)nc1-c1ccccc1 82132781 DQBQUQXWKCOFND-PGRDOPGGSA-N 400.526 5.064 0 1 HKAF CN(CCCCOc1ccn(-c2ccc(Cl)c(Cl)c2)n1)Cc1ccccc1 95555957 PMTPMNLAVJRCSN-UHFFFAOYSA-N 404.341 5.470 0 1 HKAF CCN(CC)CCOc1ccccc1Nc1nc(C)cc(-c2ccc(Cl)cc2)n1 95577536 XZQLWSYGKPSFDH-UHFFFAOYSA-N 410.949 5.570 0 1 HKAF O=C(NCCc1ccccc1)Nc1cccnc1Oc1cccc(C(F)(F)F)c1 95591453 ZTDAZXXVEMMCAF-UHFFFAOYSA-N 401.388 5.257 0 1 HKAF COC(=O)CSc1c(-c2cccc(Cl)c2)nc2ccccc2c1-c1ccccc1 96932498 BFFYYKRUEGYZLP-UHFFFAOYSA-N 419.933 6.487 0 1 HKAF Nc1sc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C(=O)NC1CC1 103144910 ZMTSJIQDTXZWNY-UHFFFAOYSA-N 403.334 5.863 0 1 HKAF CCCCN(c1sc2ccccc2c1C)S(=O)(=O)c1ccc(C(=O)O)cc1F 115232761 AZQUKJDBCMDLRU-UHFFFAOYSA-N 421.515 5.042 0 1 HKAF O=C(O)CCc1ccc2c(c1)c(CCc1ccc(Cl)cc1)cn2-c1ccccc1 141644375 SRCLIANXWAYKCD-UHFFFAOYSA-N 403.909 6.086 0 1 HKAF COc1cccc(S(=O)(=O)c2cnc3cc(F)ccc3c2-c2cccc(F)c2)c1 145373483 ZWMBWMXMKBGYII-UHFFFAOYSA-N 411.429 5.021 0 1 HKAF CNC[C@H](C)c1ccc(-c2c(OC)cc(C)c3[nH]c(=O)c4sccc4c23)cc1F 149337917 JNLCSZJEPDANGR-ZDUSSCGKSA-N 410.514 5.189 0 1 HKAF COc1ccc2c(c1[C@@H]1CCCC(=O)N1Cc1cccc(-c3ccccc3)c1)OCO2 167777899 SLIKAZDQSXPQMR-NRFANRHFSA-N 415.489 5.345 0 1 HKAF Cc1cccc(-c2nc([C@@H](C)O)sc2-c2ccnc(NC(=O)c3ccccc3)c2)c1 169326197 YNLQDEHIGSGIDP-MRXNPFEDSA-N 415.518 5.486 0 1 HKAF CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(-c2ccc(C)cc2)cc1 169330446 WHMZCMLBJAHXCF-UHFFFAOYSA-N 403.913 5.456 0 1 HKAF Cc1ccc(F)c(NC(=O)c2cccc3cc(-c4cccc5[nH]nc(N)c45)ccc23)c1 169350179 QZSMZCSEBFUSRV-UHFFFAOYSA-N 410.452 5.665 0 1 HKAF O=C(Nc1cccc(F)c1)Nc1cc2ncncc2cc1OCc1cccc(Cl)c1 473152700 VLSGXYQTONZFMW-UHFFFAOYSA-N 422.847 5.645 0 1 HKAF Cc1ccc(-c2nc3ccc(O)c4c3c(c2CCC(=O)O)-c2ccccc2C4=O)cc1 586990189 JUHSMNFOPJZULV-UHFFFAOYSA-N 409.441 5.144 0 1 HKAF CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(Br)cc2[nH]1 586996626 RTHNJKCNJNJQQS-UHFFFAOYSA-N 410.109 5.402 0 1 HKAF CC(C)(C)c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2n1 586999146 WTNFKMKIFHVYFI-UKTHLTGXSA-N 422.326 6.448 0 1 HKAF Cc1c(Br)cc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2c1C 587081830 HHXVICJHECQCGA-UHFFFAOYSA-N 406.711 5.196 0 1 HKAF Fc1c(F)c(-c2nc3cc(Br)cc(Cl)c3[nH]2)c(F)c(F)c1S 587134904 QSVWJLWDKHBIDZ-UHFFFAOYSA-N 411.605 5.491 0 1 HKAF Cc1cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1Cl 587159020 LATJONBYLIOOKJ-FQEVSTJZSA-N 401.268 6.486 0 1 HKAF Cc1c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587166489 UATBOWCJUZWDMN-UHFFFAOYSA-N 423.797 6.235 0 1 HKAF CC(C)[C@H](c1nc2ccc(Sc3ccccc3)cc2[nH]1)N(C)C(=O)OC(C)(C)C 587197221 AZWZPGIQEFIZBL-HXUWFJFHSA-N 411.571 6.278 0 1 HKAF O=C(O)c1cc(Br)cc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c12 587242582 UWPVERFEVISKOR-UHFFFAOYSA-N 424.254 5.140 0 1 HKAF C[C@@]1(CCc2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347760 PURDDGXNFFQTOO-AHWVRZQESA-N 415.464 5.763 0 1 HKAF COc1cccc(-c2c(C)c(-c3ccc(F)c(F)c3)nc3c2oc2ccccc23)c1 587360306 ODXXRODSHMDHNI-UHFFFAOYSA-N 401.412 6.910 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1OCC)CC2=O 587457605 LEKICBWPACQSHE-IBGZPJMESA-N 405.288 5.212 0 1 HKAF CCCCc1ccc(-n2cccc2[C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587469413 DUSZVZFEQGUHQZ-VWLOTQADSA-N 403.522 6.185 0 1 HKAF O=C1C[C@@H](c2ccccc2-c2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587507275 LHUVKFRDMFBQKW-DEOSSOPVSA-N 422.446 6.958 0 1 HKAF COc1ccc([C@]2(CC(C)(C)CC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525674 RAXLLOGKVVINDE-AREMUKBSSA-N 422.521 5.326 0 1 HKAF CSC(=C[C@]1(c2ccccc2C)CC(=O)c2ccc3c(c2O1)CCCC3)SC 587532349 MEMXGKWNXIZRGJ-DEOSSOPVSA-N 410.604 6.302 0 1 HKAF COc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587541035 DCWDDSKVMQFETJ-FXAWDEMLSA-N 417.244 5.411 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1ccc(F)cc12 587572860 XEHPMPHSSWXFII-JYFHCDHNSA-N 410.400 5.417 0 1 HKAF C[C@H]1C[C@@H](C)CN([C@@H]2CCCC[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 587583308 ROIXXHASFJYUFN-YEUYVCOFSA-N 421.537 5.013 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OC1CCCC1 587599392 FUKGBBFHJJAPCW-DHLKQENFSA-N 402.446 5.417 0 1 HKAF COc1ccc([C@]2(C(C)(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587600985 PQRDOIYWEDRULF-OFVILXPXSA-N 404.462 5.304 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3nc(Cl)ccc32)N1 587705752 OMAKLESXLQNAET-GIPWTMENSA-N 423.757 5.387 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(C(F)(F)F)c2)N1 587710373 FYABFAMRGAZUQK-XYZCENFISA-N 418.228 5.110 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3F)s2)N1 587728106 RADYSJVQKZJTAE-PRWKNARSSA-N 420.322 6.079 0 1 HKAF CCCOc1c(C)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587795085 QGJUWSRTFRMFSA-XOBRGWDASA-N 406.339 5.617 0 1 HKAF COc1ccccc1[C@@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810964 YQCQTMYKXXOANX-YEJXKQKISA-N 406.339 5.421 0 1 HKAF Cc1ccccc1-c1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587817996 GFNJSWWMEQELRB-NPMXOYFQSA-N 410.330 6.187 0 1 HKAF CC(C)[C@@]1(c2ccc(Cl)s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587846902 JHEOGSMKXWZHMK-BTDLBPIBSA-N 402.760 5.737 0 1 HKAF COc1ccc(C[C@H](C)c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1OC 587925540 DVFQHQJXSUXNGU-KRWDZBQOSA-N 402.494 5.505 0 1 HKAF CC(C)COc1cc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2cc1Br 587951558 ORQXUYIXADZPQA-UHFFFAOYSA-N 415.331 5.959 0 1 HKAF COc1ccc2c(c1OC)[C@@H](c1c(OC(C)C)ccc3ccccc13)N(C)[C@@H](C)C2 962626755 GDDKJUSAAIOHCZ-GKVSMKOHSA-N 405.538 5.610 0 1 HKAF CCn1c2ccccc2c2cc([C@@]3(C)NCCc4cccc(-c5ccccc5)c43)ccc21 962673574 ZEBOJCIGXSIGRG-SSEXGKCCSA-N 416.568 6.891 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccccc2C)(c2cncc3ccccc23)N1 962946898 MFVVTOKMRSRYGA-PBBNMVCDSA-N 417.556 6.241 0 1 HKAF COc1ccc(/C=C\CC/C=C/C=C(\C)CC[C@H](O)c2ccccc2OC)c(OC)c1 1772607181 RYTHIBHSUBAXPE-QAPNULGISA-N 422.565 6.522 0 1 HKAF CC(C)(O)[C@H]1CC[C@H](Nc2ccc3nnc(-c4cccc(C(F)(F)F)c4)n3c2)CC1 1772649835 BEGBEWMECAKSHX-JCNLHEQBSA-N 418.463 5.157 0 1 HKAF Cc1ccc(-c2cc(-c3cc4ccccc4oc3=O)nc(Cc3ccc(F)cc3)n2)cc1 1857557554 WADLSFAWNSYXFG-UHFFFAOYSA-N 422.459 5.955 0 1 HKAF O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2[C@@H]1c1ccccc1 1857604635 OUAZBTMDKBUPEM-IBGZPJMESA-N 403.334 6.235 0 1 HKAF OC12C[C@@H]3CC(C[C@H](C3)C1)N2CCCCCCNc1ccnc2cc(Cl)ccc12 1857641706 MNFUBBOYCZMREI-JOBLXZKLSA-N 413.993 5.443 0 1 HKAF O=C1[C@@H](c2ccc3ccccc3c2)Oc2cc3c(cc2N1Cc1ccccc1)OCO3 1857754515 LBHUKHGUECXWAP-RUZDIDTESA-N 409.441 5.235 0 1 HKAF CC(=O)N[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356495903 JRMQHVWVFCDIOA-VYNSUOIGSA-N 403.607 5.102 0 1 HKAF CC(C)CNC(=O)C=CC=CCCCCCCCCCCc1ccc2c(c1)OCO2 2356506238 GMPNJJVIJHGHTQ-UHFFFAOYSA-N 413.602 6.353 0 1 HKAF CC(C)[C@@H](C)[C@H](C)C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356564994 KTGGCSVZUGUIFS-WQUCEIBKSA-N 416.734 7.961 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]1CC[C@@H]1[C@]3(C)CC[C@@H](O)CC3=CC[C@@]12C)C(C)C 2356715822 SJBCPIPTNBLBFY-YJLODRQASA-N 414.718 8.025 0 1 HKAF CC(=O)c1ccc(-c2cccc(-c3nc4ccccn4c3NC3CCCCC3)c2)cc1 36382358 FDKNRSUCWLCDLV-UHFFFAOYSA-N 409.533 6.616 0 3 HKAF COc1ccc(-c2noc(-c3ccc(F)cc3Cl)c2C(=O)NC2CCCC2)cc1 773975 JVYMKMNRVHSBOB-UHFFFAOYSA-N 414.864 5.482 0 1 HKAF CCCC[C@@H](O)CCCCCCCCCCCCC(=O)c1c(O)cc(O)cc1O 13380847 VTQGNVSMGMLUJY-LJQANCHMSA-N 408.579 6.218 0 1 HKAF biogenic COc1cc2c(cc1OC)CN(CC[C@@H](Oc1ccc(C)cc1)c1ccccc1)CC2 13530652 DHPPYIZBMXGBPH-RUZDIDTESA-N 417.549 5.581 0 1 HKAF Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cccc(N)n3)sc2c1 13536590 UHLYZIUKXJIXGB-UHFFFAOYSA-N 409.902 5.231 0 1 HKAF CCCCCC[C@H](C)OS(=O)(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C 13747435 YNHXNUJRUYIHST-KRWDZBQOSA-N 412.596 5.675 0 1 HKAF Cc1ccccc1S[C@H]1C(=O)C[C@](CCc2ccccc2)(c2ccccc2)OC1=O 13766563 CBOOFXWOJSMVFK-AZGAKELHSA-N 416.542 5.500 0 1 HKAF CCCCC[C@H](O)CCCCCCCCCCCCCCCC/C=C/CC(=O)CC 14494451 NWNLDNPRHOGSDM-KGLAKQQASA-N 422.738 9.095 0 1 HKAF CC1(C)C=C[C@]2(C)CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 14617314 DAYKSLOBCZJGHS-YDPPYFDXSA-N 424.713 7.945 0 1 HKAF endogenous,in-man CCOc1cc2c(cc1OC(C)=O)CCC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]12 26491299 HWAVFONLHJLREU-FGDBOXLNSA-N 414.542 5.189 0 1 HKAF CC1(C)[C@H]2C[C@H](C/C=C/CCCC(=O)O)[C@@H](NC(=O)c3cc4ccccc4o3)[C@@H]1C2 26492610 CPEKACQCRAAAFY-XQEBCRAASA-N 409.526 5.415 0 1 HKAF C[C@@H](c1ccccc1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 26662708 DFZGSDFUPNOHRU-QZFRTWIZSA-N 424.632 6.343 0 1 HKAF CCC[C@H]1C[C@@H]2CCCC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@H]12 29136075 JYYLZWZALJWCBH-HRNQFXIGSA-N 402.663 7.563 0 1 HKAF CC[C@@H](C)CCCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO 34167416 YTEYDCRHTOEYAS-DHIUTWEWSA-N 400.644 6.171 0 1 HKAF biogenic C[C@@](O)(CSc1ccccc1Cl)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1 34801486 SJCZTOXZMFFQNG-QGZVFWFLSA-N 420.283 6.493 0 1 HKAF CCCCCc1c(C)nc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)nc1C 40866176 ZPKDAYYUAPUAPU-IBGZPJMESA-N 424.397 5.912 0 1 HKAF CCCCCc1c(C)nc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)nc1C 40866178 ZPKDAYYUAPUAPU-LJQANCHMSA-N 424.397 5.912 0 1 HKAF Clc1cccc(Nc2nc(C(Cl)(Cl)Cl)nc3ccccc23)c1Cl 43020163 ZWLCMJAOJHYCQE-UHFFFAOYSA-N 407.515 6.507 0 1 HKAF CN1CCc2ccc(/C=C/c3ccc4cc(C(=N)N)ccc4c3)cc2[C@@H]1C1CCCCC1 71788653 FDYCFRDMCYSQNF-YIXADMSASA-N 423.604 6.404 0 1 HKAF COc1cc(Nc2nc3c(s2)CCC[C@@H]3c2ccccc2)ccc1-c1nc(C)no1 73161995 BNPXUXWEQBYHQY-QGZVFWFLSA-N 418.522 5.722 0 1 HKAF CC1(C)Oc2c(c(=O)oc3ccccc23)[C@H]2C3=Cc4ccccc4O[C@@]3(C)CC[C@H]21 73294160 ARKLJRAVXAPKNL-GZAUMTHMSA-N 400.474 5.692 0 1 HKAF Cc1csc(NC(=O)c2ccc(COc3c(Cl)cc(Cl)cc3Cl)o2)n1 95755603 KHPKJSQXMBFPBG-UHFFFAOYSA-N 417.701 5.836 0 1 HKAF CCCCCOc1cccc(-c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)no2)c1 96913491 XAAHEJVKACKWMG-UHFFFAOYSA-N 408.542 5.609 0 1 HKAF COc1ccc(COc2ccc(/C=C/CCSc3nc4ccccc4[nH]3)cc2)cc1 96938099 OMKMUSYDMCOOGN-GQCTYLIASA-N 416.546 6.346 0 1 HKAF CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137579137 JVEARGBOXRHBPV-OFCDJYHHSA-N 414.674 6.382 0 1 HKAF COc1ccc2cc(CN3C(=O)CCC[C@@H]3c3c(OC)cccc3OC)ccc2c1 167871227 YBAASJZFNMNVPA-OAQYLSRUSA-N 405.494 5.119 0 1 HKAF Oc1ccc2cc1Oc1ccc(cc1)/C=C\c1cccc(O)c1Oc1cccc(c1)CC2 169293302 CXOXZTLVFGJSBL-LCYFTJDESA-N 422.480 6.951 0 1 HKAF Cc1cc2cc(-c3nc4ccc(C(=O)O)cc4nc3N3CCCC[C@@H]3C)ccc2[nH]1 205436182 ZYEKSELKTXPICM-HNNXBMFYSA-N 400.482 5.164 0 1 HKAF CCOP(=O)(OCC)[C@@H](N(O[C@@H](C)c1cc[n+](C)cc1)C(C)(C)C)C(C)(C)C 222043295 SRYWXYURLCJIIJ-PKOBYXMFSA-N 415.535 5.243 0 1 HKAF Cc1cccc2oc(=O)c3c(c12)O[C@]1(C(=O)CC(C)C)O[C@@H]3[C@H]2[C@@H](C)CC[C@H]2[C@@H]1C 238758711 OIVSDRARUTXWJF-SWPDEFRWSA-N 410.510 5.175 0 1 HKAF CC(=O)OC[C@@H](CO)OC(=O)C[C@H](C)CC[C@@]1(C)C2=CCCC(C)(C)[C@@H]2CC[C@H]1C 238776866 PJOREQSYWOKTEE-XXXKQHFZSA-N 422.606 5.059 0 1 HKAF Cc1ccccc1-c1cc(-c2ccccc2)nc(NC[C@H]2CC[C@H](C(=O)O)CC2)n1 299829503 VGQOJPXWWDLHKT-KESTWPANSA-N 401.510 5.422 0 1 HKAF CC(=O)OCc1c(C2CCCCC2)oc2ccc(NC(=O)c3ccccc3)cc2c1=O 299869743 VJKGKCZPUJPBFZ-UHFFFAOYSA-N 419.477 5.156 0 1 HKAF Cc1oc2c(c1-c1nc3cc(OCC(C)C)c(Br)cc3[nH]1)C(=O)CCC2 586904101 QVYNRWYPYKQBGQ-UHFFFAOYSA-N 417.303 5.448 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586915618 GEINQNFTBOXFHC-BFUOFWGJSA-N 408.807 5.452 0 1 HKAF Clc1ccc(OCc2nc3cc(Cl)cc(Cl)c3[nH]2)c(Br)c1 586976778 HHNGIQBMNNTJTA-UHFFFAOYSA-N 406.494 5.865 0 1 HKAF COc1cc(/C=C/c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)ccc1Br 586977175 OGPDOXUIZILXLW-HWKANZROSA-N 415.184 5.662 0 1 HKAF Fc1cc(F)c2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2c1 587000764 QHRBIAAZHQKLHA-UHFFFAOYSA-N 415.241 5.278 0 1 HKAF Cc1ccc2c(ccc3nc(-c4sc5cc(Br)ccc5c4N)[nH]c32)n1 587030616 GLUUHKMSAAWGPU-UHFFFAOYSA-N 409.312 5.646 0 1 HKAF Cc1onc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)c1COc1ccc(Cl)cc1 587076906 ZVGFBJBMHMVQLX-UHFFFAOYSA-N 409.660 5.461 0 1 HKAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc(C(F)(F)F)c2[nH]1 587112357 IVGKLCZCUSJUMK-KRWDZBQOSA-N 415.337 5.000 0 1 HKAF O=C(c1nc2c(F)c(Br)ccc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133374 PKBMRSIVGVSKJB-UHFFFAOYSA-N 406.013 5.141 0 1 HKAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccc(Oc3ccccc3)cc2[nH]1 587168540 YXHQHXUUSVWHCA-JOCHJYFZSA-N 416.456 5.863 0 1 HKAF O=C(Nc1ccccc1)c1ccc(-c2nc3c(Br)c(F)ccc3[nH]2)cc1 587243136 BGQVBZVDCZWHGY-UHFFFAOYSA-N 410.246 5.384 0 1 HKAF CCCN(CCC)S(=O)(=O)c1ccc(C(=O)c2coc3ccc(Cl)cc23)cc1 587278857 MSMLFBBVAZBCDQ-UHFFFAOYSA-N 419.930 5.128 0 1 HKAF COc1cccc([C@@]2(C(C)(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587355274 XDFGWMLLXKNDHU-JYFHCDHNSA-N 420.480 5.840 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3ccc(C(F)(F)F)cc3)ccc1O)O2 587382092 NQQONDDRSZIDFE-OAQYLSRUSA-N 413.395 5.675 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1cccc(C)c1)[C@@H](C2)C3=O 587431283 JNMSMVFPFOIUMY-IDISGSTGSA-N 422.484 5.345 0 1 HKAF O=C1C[C@@H](c2ccc(OCc3cn4ccccc4n3)cc2)Oc2c1ccc1c2CCCC1 587514159 GXIXTCOGHSFUFQ-VWLOTQADSA-N 424.500 5.499 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(F)c2)nc1 587570549 LGAVKEZQGNBFSO-WIOPSUGQSA-N 413.404 5.296 0 1 HKAF CC[C@H](C)Oc1c(OC)cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595452 OCADQFVFRJAKTR-MOUXGWKHSA-N 420.461 5.281 0 1 HKAF COc1ccccc1[C@@]1(C2CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599980 JTYAYCZKKOPSDR-JYFHCDHNSA-N 416.473 5.448 0 1 HKAF Cc1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 587600184 MQJMWQYZRTZYFA-RPLLCQBOSA-N 424.452 6.196 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCSc1ccc(Cl)cc12 587618126 MWVKYSLGJJPEPU-REWPJTCUSA-N 424.905 5.789 0 1 HKAF CCOC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2cc(Cl)c(F)cc12 587628230 JTVVDLHYZOXNEY-UHFFFAOYSA-N 410.670 5.496 0 1 HKAF CCOC(=O)c1c(-c2cc(F)c(F)c(Cl)c2F)[nH]c2ccc([C@@H](C)CC)cc12 587642767 QABRKDYNINPTFS-JTQLQIEISA-N 409.835 6.596 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)c(N)c(Cl)c2)N1 587697498 WISHTZAPQBRIAP-QPFGOUBPSA-N 418.137 5.275 0 1 HKAF Cc1cc(C(F)(F)F)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587710129 FJVDDJXYHKAVQE-BMLIUANNSA-N 402.229 5.539 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cccc2C(F)(F)F)N1 587711493 KTCRGQZLOLUOFI-VPTHRUTESA-N 422.647 5.884 0 1 HKAF CC(=O)n1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587760137 XNLKEGSJWZFXEZ-XUSGNXJCSA-N 415.306 5.001 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2N2CCCCCC2)N1 587767199 QVFKZUYBBGOASH-FPDPHYFHSA-N 409.387 5.136 0 1 HKAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC(C)C 587792375 KNTLKSPAJLJQOZ-ASSNKEHSSA-N 422.338 5.255 0 1 HKAF COc1ccc([C@H]2C[C@@H]2[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587807665 LDGSWAWUPWETBO-VMUQWNDESA-N 404.323 5.150 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2C(C2CCCCC2)(C2CCCCC2)N1 587821586 VZOSBLZVXXEWSA-HNNXBMFYSA-N 408.399 6.478 0 1 HKAF Cc1ccc(C(C)C)c2c1[C@]1(CCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587833996 JLZQPTZXEJNBQS-RCDICMHDSA-N 418.350 5.580 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)s2)N1 587849309 SIWAMNBUWSPZSG-VXJOIVPMSA-N 419.157 5.210 0 1 HKAF CC1=CSc2ccc(Cl)cc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587855866 KJWDEFLBTRZBSF-JEOXALJRSA-N 424.766 6.029 0 1 HKAF Fc1ccc(-c2noc(-c3ccc(-n4nc5cc4Oc4ccc(F)cc4-5)nc3)n2)cc1 587873611 JNYBESJAQGSVNR-UHFFFAOYSA-N 415.359 5.035 0 1 HKAF Clc1cc(Br)cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 587955335 HNZWJAMIKQESNP-QGZVFWFLSA-N 411.730 6.353 0 1 HKAF CC(C)c1cccc(C(=O)Nc2cccc(Nc3ccnc(NC(=O)C4CC4)c3)c2)c1 653848900 FVMZLWPHAKPWKE-UHFFFAOYSA-N 414.509 5.549 0 1 HKAF CCOc1cc([C@H]2c3cc(OC)ccc3CCN2C(C)C)c(Cl)cc1OC(C)C 962089837 HYEGXAAOOPLSKE-XMMPIXPASA-N 417.977 5.890 0 1 HKAF CCc1ccc2nc(Cl)c([C@H]3c4cc(OC)c(OC)cc4C[C@@H](C)N3C)cc2c1 962619818 GOWOFZLJVSUVPT-QKFKETGDSA-N 410.945 5.434 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(F)cc2)(c2ccc(Cl)nc2)N1 962947544 BXGUPCIVSZWYJC-KOSHJBKYSA-N 405.904 5.572 0 1 HKAF COc1cccc2cc3c(nc12)[C@H](c1cc(F)c(Br)cc1Cl)NCC3 963065920 KBQACIDMCMDMGT-IBGZPJMESA-N 421.697 5.034 0 1 HKAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CCc1ccccc1)c1ccccc1C 963603213 BNGZKCAVEQWUIG-HRFSGMKKSA-N 401.550 5.423 0 1 HKAF O=C(Nc1nc(-c2ccccc2)cn2cc(-c3ccccc3)nc12)c1ccc(F)cc1 1772583258 AMUGMOHHGIKTMV-UHFFFAOYSA-N 408.436 5.455 0 1 HKAF CCCCc1cc2c(=O)c(Br)c[nH]c2cc1OCCOc1ccccc1 1857534949 NMJCDUVQOOVTIT-UHFFFAOYSA-N 416.315 5.091 0 1 HKAF O=C(Nc1c(-c2ccccc2)nc2sccn12)NC1c2ccccc2-c2ccccc21 1857593038 GWFAGPJBPVQIOR-UHFFFAOYSA-N 422.513 5.954 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC[C@]12C 2356416633 AGVCHWQWQGSFDP-IZWIKZNGSA-N 410.686 7.721 0 1 HKAF CCCC(=CCl)CCCC(=O)N[C@H](C)C[C@@H](C)C(=O)[C@H](C)CCC=CCl 2356674619 OEEXJHFQVSGEBK-KZNAEPCWSA-N 404.422 6.348 0 1 HKAF C[C@H]1[C@H]2[C@H]3CC[C@@H]4[C@H](CC[C@@H]5CC(=O)CC[C@]54C)[C@@H]3C[C@H]2O[C@@]12CC[C@@H](C)CO2 2356772926 MKSOVCGCFFZGER-GMPDEKMRSA-N 400.603 5.612 0 1 HKAF Cc1cc(O)cc2c1C[C@]1(O2)[C@H](C)CC[C@H]2[C@]1(C)CC[C@@H]1C(C)(C)[C@@H](O)CC[C@]12C 2356799825 UWYFEQBOCMFYPZ-DOHZEYLHSA-N 412.614 6.024 0 1 HKAF O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1CCC12CCC(c1ccccc1)CC2 96019240 YERYMCHTKWDLPT-LVKMRUPZSA-N 403.444 6.761 0 3 HKAF C=C/C(=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C)CC=C(C)C 27639772 IQVZGUNZGFTGLM-JZXFTJLQSA-N 424.713 9.592 0 1 HKAF Clc1ccc([C@@]2(Cn3ccnc3)OC[C@H](c3ccc(Cl)cc3Cl)O2)cc1 28769620 YAJAVHCPGKNFEZ-MOPGFXCFSA-N 409.700 5.484 0 1 HKAF COc1cccc(Nc2nnc3cc(-c4c(Cl)cccc4Cl)cc(C)c3n2)c1 38225584 PZNMSLNZLIVELT-UHFFFAOYSA-N 411.292 6.059 0 1 HKAF O=C(NN1CCCCC1)c1ccc2c(c1)N=C(C1CCCCC1)c1ccccc1O2 40939398 ADFHQICRWQKWMA-UHFFFAOYSA-N 403.526 5.624 0 1 HKAF c1ccc(-c2ccc(Cn3cncc3CNc3ccccc3-c3ccccc3)cc2)cc1 40975411 BGYRJYHBTISFLZ-UHFFFAOYSA-N 415.540 6.878 0 1 HKAF CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccc3OCC(=O)O)cc2)n1 49067810 PLYSMWJHSAZJFO-UHFFFAOYSA-N 406.526 5.304 0 1 HKAF CCN(CC)C(=S)S[C@H](CC(=O)c1ccc(OC)cc1)c1ccc(OC)cc1 49799672 ITSPIDRRVNWQTM-OAQYLSRUSA-N 417.596 5.378 0 1 HKAF O=C(NC1CCCCC1)c1cc2ccccc2c(Nc2cccc(C(F)(F)F)c2)n1 66262897 WMJVKDUXVYLRBZ-UHFFFAOYSA-N 413.443 6.060 0 1 HKAF COc1cccc(Oc2ccc3c(NCCCNCc4ccco4)ccnc3c2)c1 72126041 ZMRYSWOSFHVMQZ-UHFFFAOYSA-N 403.482 5.221 0 1 HKAF CC1=C(O)/C(=C\[C@@H](C)CC/C=C(/C)CCCc2coc(Cc3ccoc3)c2)OC1=O 105372507 YIWFEASCLZQHBJ-MFCZDONOSA-N 410.510 6.421 0 1 HKAF CC(=O)c1ccccc1-c1ccc2[nH]c(/C=C/c3ccc(C(F)(F)F)cc3)nc2c1 117140346 WGEYEGJSZQCJOM-MDWZMJQESA-N 406.407 6.622 0 1 HKAF COc1cc(-c2ccncc2)cc2c1ccn2-c1c(C)c(C)nc2ccc(Cl)cc12 118095141 CGWIPGADOYJUDA-UHFFFAOYSA-N 413.908 6.520 0 1 HKAF C[C@H](C(=O)O)c1ccc(-c2cccc(OC(=O)NCCCc3ccccc3)c2)c(F)c1 143919110 ANMVAMOFGILDKL-KRWDZBQOSA-N 421.468 5.402 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2ncc(C)s2)c1 167266721 OTPKWVNXANCRCW-IBGZPJMESA-N 422.550 5.390 0 1 HKAF COc1ccc(Cl)c2c1CCC(CN1CCC(O)(c3ccc(Cl)cc3)CC1)=C2 169324721 ATYHOQOSQQVPDR-UHFFFAOYSA-N 418.364 5.315 0 1 HKAF O=C(Nc1ccc(F)cc1)O[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1 169350920 WUVWQQWBOOWXIX-RBUKOAKNSA-N 411.304 5.782 0 1 HKAF CC1(C)CC[C@@]2(C)CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 238730981 LIIFBMGUDSHTOU-XPCSVPKRSA-N 424.713 8.377 0 1 HKAF COc1ccc(-c2cnc3snc(NC(=O)C4CCCCCC4)c3c2)cc1OC 299821364 LFCLOZYBTATOAJ-UHFFFAOYSA-N 411.527 5.284 0 1 HKAF Cc1cc(Br)c2nc(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)[nH]c2c1 586878344 DZNNKOQEJXHWRO-UHFFFAOYSA-N 421.294 5.974 0 1 HKAF FC(F)(F)c1cccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 586975279 LNEMLAAYFRTOPE-UHFFFAOYSA-N 410.020 6.318 0 1 HKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 586983252 XMPBZMBFWAZAFN-ZDUSSCGKSA-N 419.294 5.535 0 1 HKAF Cc1ccc2c3c(cc([C@H]4C[C@@H]4c4c(F)cccc4Cl)nc13)-c1ccccc1C2=O 586994727 DQEMKSHTESHTGS-ROUUACIJSA-N 413.879 6.818 0 1 HKAF CCOC(=O)c1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 587040459 MYLSOGARZLKXJO-UHFFFAOYSA-N 415.518 5.585 0 1 HKAF CC[C@@H](Oc1ccccc1Cl)c1nc2c(Br)cnc(Cl)c2[nH]1 587062995 YZSIHCNAEBZDLU-SNVBAGLBSA-N 401.091 5.557 0 1 HKAF Fc1c(Cl)cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2c1F 587071390 LXTGLAYWNJAKSK-UHFFFAOYSA-N 410.638 6.530 0 1 HKAF Cc1ccc(-c2cc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)c3cccc(Cl)c3n2)o1 587083490 WTXADLWBWDWFHS-UHFFFAOYSA-N 421.815 5.837 0 1 HKAF CC(C)Oc1ccc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2c1 587138115 APOMUIYNPXKAGZ-UHFFFAOYSA-N 408.404 5.661 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Cl)cc(C)c4[nH]3)cc2F)c1 587143348 CYUUXELOCYBVRH-UHFFFAOYSA-N 410.832 5.705 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c(Cl)c2)cc1F 587145595 NSTGAJHZNFMYFZ-UHFFFAOYSA-N 406.675 6.700 0 1 HKAF Cc1[nH]c(-c2ccco2)nc(=S)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208909 FPYIINRPAJEDGM-UHFFFAOYSA-N 421.481 6.134 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3ccc(Cl)c(C(=O)O)c3)c1)O2 587377794 ZGKZFTAUKWGVHL-OAQYLSRUSA-N 407.853 5.302 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-n3ccc(C(F)(F)F)n3)cc1)CC2=O 587464512 RRSGHGWTNWRGGD-LJQANCHMSA-N 416.399 5.256 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCCN1CCCC[C@@H]1C)CC2=O 587473936 AQQKLVWGYPJHQI-AVRWGWEMSA-N 423.553 5.304 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1cccc3ccccc13)CC2=O 587492900 ZFNVRNIOCQZDLR-RUZDIDTESA-N 404.462 5.223 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccc4sccc4c3)o1)CC2=O 587494486 KGTWTMGUDGRJTK-RUZDIDTESA-N 418.514 6.700 0 1 HKAF C[C@]1(c2ccc(OC(F)F)cc2OC(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587504777 KBOMXOFAGZZSPU-JOCHJYFZSA-N 424.390 5.649 0 1 HKAF O=C1C[C@H](c2cc(C(F)(F)F)nn2[C@H]2CCCCO2)Oc2c1ccc1c2CCCC1 587509346 RTIIZAYOZCWXSJ-UYAOXDASSA-N 420.431 5.186 0 1 HKAF O=C1C[C@H](c2ccccc2Sc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587533375 SJHRYKFANOELOQ-HSZRJFAPSA-N 420.961 7.077 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cccc(Cl)c1 587550576 XSEZAMVCAZNCCD-QPPBQGQZSA-N 417.848 5.539 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1cccnc1 587589238 WNCOUCNJPHZIAE-WIOPSUGQSA-N 411.413 5.282 0 1 HKAF COc1ccccc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587599912 IXCQFDDWOFVLDN-RPLLCQBOSA-N 424.452 5.771 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1Oc1cc(O)ccc12 587606195 CDHGKNNDQMOXIY-ZEQKJWHPSA-N 424.408 5.109 0 1 HKAF CC[C@]1(c2cc(F)c(F)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587721459 VVUXPWDAGOEBNW-DYBLOJMWSA-N 402.229 5.193 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Br)c2F)N1 587725245 CPMHPPPPEFPETG-PWJLMRLQSA-N 417.091 5.113 0 1 HKAF Cc1cc(C)c2nc(O)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587777475 IEHGTXQOBYETHF-MPBGBICISA-N 415.306 5.082 0 1 HKAF Oc1nccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 587784697 UYCRYMNHRHZPBM-UHFFFAOYSA-N 407.473 5.500 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(C)(C)C)[nH]c3ccccc23)N1 587794493 VIUUOQALBQYZIQ-ODXCJYRJSA-N 415.350 5.991 0 1 HKAF CC[C@]1(c2ccc(-c3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587814915 WSLOOODQJVZQPL-VOIUYBSRSA-N 424.357 6.443 0 1 HKAF C/C=C\[C@]1(C2=C(C)C=CCC2(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587815910 RBZXMIMNGVNWOW-QBSAGJGFSA-N 404.367 6.196 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H](Cc3ccccc3)C2)N1 587816970 GMQPZTYOXZEMAC-ZWWNWMABSA-N 402.351 5.751 0 1 HKAF Cc1c(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c(C)c1C=O 587818234 GZTZCMMLBNVXHO-LADRHHBVSA-N 404.323 5.258 0 1 HKAF Cc1cc(C)cc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 587821219 TZIRKXPIUXPNRE-GYCJOSAFSA-N 424.357 6.496 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(C(F)(F)F)cc1 587856346 VGQUYGPTDGGJFU-UHFFFAOYSA-N 401.215 6.264 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2c(F)cccc2s1 587865044 TVUFVEVEPIVYEL-UHFFFAOYSA-N 407.392 5.706 0 1 HKAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(Br)cc(Cl)c2[nH]1 587933984 CQZGHCKBZLIMMO-UHFFFAOYSA-N 403.707 5.560 0 1 HKAF Nc1cccc(Br)c1-n1c(O)cc(-c2c(Cl)cccc2Cl)c1O 587934541 HKPCGWNKBCSYBD-UHFFFAOYSA-N 414.086 5.207 0 1 HKAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 587937839 QQJYXTFNVMLPMH-AREMUKBSSA-N 420.516 5.583 0 1 HKAF CC[C@@]1(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)CC(=O)c2ccccc2C1 587959892 IOPCQGXJIPLMLJ-SANMLTNESA-N 412.558 6.482 0 1 HKAF Clc1ccccc1-c1nc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)co1 961318078 FLWWGKBXRBHMIS-SFHVURJKSA-N 415.718 5.525 0 1 HKAF Clc1ccc(CN2CCC3(CC2)NCCc2cccc(-c4ccccc4)c23)cc1 962665670 JDJXJIYSYREITB-UHFFFAOYSA-N 402.969 5.644 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccccc2Cl)(c2ccccc2OC)N1 962957249 ODVZLANFEPHTKH-QUGAMOGWSA-N 416.952 6.046 0 1 HKAF COc1ccc([C@@]2(CCc3ccc(F)cc3)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963114541 USAHVXGVCIWPQL-IGKIAQTJSA-N 419.515 5.870 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]12CC(C)(C)Oc1ccc(Br)cc12 963232550 SUVXSIIMIZZJLV-HJPURHCSSA-N 414.387 5.910 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@]2(CC(=O)c1ccc(Cl)cc1)C(F)(F)F 963256122 ACPFMWNXJYIFHA-GOSISDBHSA-N 418.242 5.178 0 1 HKAF CSc1ccc([C@@]2(CCc3c(C)cccc3C)NCCc3ccc(O)cc32)cc1 963351663 HYYANHMLIWWLJM-AREMUKBSSA-N 403.591 5.753 0 1 HKAF C[C@H]1C[C@@H]1C(=O)Nc1cccc(Cc2ccc3c(/C=C/c4ccccc4)[nH]nc3c2)c1 1772582959 RKXUOKDOGXXEAF-LSBLNMSNSA-N 407.517 5.919 0 1 HKAF C[C@]12CC[C@@H]3c4ccc(O)c(-c5ccc(C(F)(F)F)cc5)c4CC[C@H]3[C@@H]1CCC2=O 1772585312 URGVAALMTVEEGP-OMANQYLTSA-N 414.467 6.503 0 1 HKAF O=C(O)Cc1cccc(NCc2cc3cc(-c4ccc5ccccc5c4)ccc3s2)c1 1772639359 MQURLYDSZBSNTD-UHFFFAOYSA-N 423.537 6.961 0 1 HKAF CCc1ccccc1-c1cccc2sc(CNc3cccc(CC(=O)O)c3)cc12 1772654506 NQHKWYIATNUDKV-UHFFFAOYSA-N 401.531 6.370 0 1 HKAF CC1(C)C(=O)CC[C@@H]2[C@@H]3CC[C@@H]4C(=CC[C@H]5C(C)(C)C(=O)CC[C@]45C)C[C@@]3(C)CC[C@H]21 2356405908 HYPYJVALUQPMIH-WYWUXLTJSA-N 424.669 7.166 0 1 HKAF CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1 2356451008 RCXPTZJNVLDKKV-UGAHOBSISA-N 400.691 8.043 0 1 HKAF C[C@@H]1CC[C@@H]([C@@](C)(O)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)NC1 2356474215 IYNBEJALSUEFDB-CHAQJVFTSA-N 415.662 5.065 0 1 HKAF CC(C)CC(=O)C[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@@H]1[C@@H](O)C3 2356487243 UOJBXGHJDKOZGJ-LQWSHRRBSA-N 416.646 5.683 0 1 HKAF CC1=CCC[C@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CC/C(C)=C/Cn1c[n+](C)c2c(N)ncnc21 8584447 NALGSOQQUZLOIK-RNRIIRSQSA-N 422.641 5.363 0 3 HKAF in-vitro C[C@@]12CC[C@@H]3[C@]4(C)CCC[C@@](C)(C(=O)NCc5ccccc5)[C@H]4CC[C@]3(CC1=O)C2 36387911 XXTWNNJUTAYEDM-ZBJSVMJZSA-N 407.598 5.675 0 3 HKAF COc1ccc(-c2ccc3c(c2)c(Sc2ccccc2)c(-c2ccccc2)n3C)cn1 95569478 SQFOWQOWZTVYDI-UHFFFAOYSA-N 422.553 7.067 0 3 HKAF CCC[C@H]1[C@@H](NC(=O)Nc2ccc(Cl)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 206044111 MMEQIWNMJNWJJB-QTDGGUCWSA-N 417.981 5.202 0 3 HKAF COc1ccc(-c2noc(-c3ccccc3)c2C(=O)NCCc2ccc(F)cc2)cc1 773883 IPIOPMKOYIANGJ-UHFFFAOYSA-N 416.452 5.129 0 1 HKAF COc1ccc(-c2noc(C)c2C(=O)N[C@@H](C)C(C)C)cc1OCc1ccccc1 776452 CKNASUNQVDRJNW-INIZCTEOSA-N 408.498 5.012 0 1 HKAF COc1ccc(-c2noc(-c3c(F)cccc3Cl)c2C(=O)NC2CCCC2)cc1 776875 CUFLCJSUPHHXNY-UHFFFAOYSA-N 414.864 5.482 0 1 HKAF Cc1ccccc1-c1nc(CN2CCC[C@@H](C(=O)NCCC3=CCCCC3)C2)c(C)o1 5055802 HGVRYWCFSFGPLC-JOCHJYFZSA-N 421.585 5.177 0 1 HKAF C[C@@H](c1ccc2c(c1)Cc1ccccc1-2)N1CCC(N2C(=O)Cc3ccccc32)CC1 13579334 QPOLDKMLCWYJNP-IBGZPJMESA-N 408.545 5.373 0 1 HKAF CC(C)=CCc1cc2c(c3c1OC(C)(C)C=C3)OC[C@@H](c1ccc(O)cc1O)C2=O 14618663 DORNSNGHFGIOBF-FQEVSTJZSA-N 406.478 5.150 0 1 HKAF biogenic C/C=C(\C)c1cc(O)c(C)c(OC(=O)c2c(O)c(C)c(O)c(Cl)c2/C(C)=C/C)c1 15265761 AEQBAXLIEJZXPN-MKICQXMISA-N 416.901 6.139 0 1 HKAF biogenic,in-vitro CCOCCCC[C@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21 26742270 SZWKFRIVTHUWDX-AREMUKBSSA-N 400.522 5.447 0 1 HKAF O=C1OC[C@H]2[C@@H]1Cc1ccccc1[C@@H]2/C=C/c1ccc(-c2cccc(Cl)c2)cn1 28823251 OWGKJNOKBSHVFV-DJJNJRNKSA-N 401.893 5.544 0 1 HKAF Clc1ccc(OC[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 33493822 HFPZVROVIKJAPZ-GFCCVEGCSA-N 416.135 6.360 0 1 HKAF Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1CNCc1ccc(Cl)cc1 36286621 USJYGWZHZURWCD-UHFFFAOYSA-N 408.712 6.435 0 1 HKAF O=C(O)CCc1ccc2oc(Nc3c(Cl)c(Cl)cc(Cl)c3Cl)nc2c1 43176556 CNBJKXPWWPYPTK-UHFFFAOYSA-N 420.079 6.202 0 1 HKAF O[C@@H](CNc1ccnc(Nc2cccc(Cl)c2)n1)c1ccccc1C(F)(F)F 45315016 OIDCCWUBWHMOIO-INIZCTEOSA-N 408.811 5.038 0 1 HKAF CCCNc1ncc(-c2cc(-c3ccccc3Cl)nc(-c3ccccn3)n2)s1 64540747 OLCDRAPKIGNBKF-UHFFFAOYSA-N 407.930 5.804 0 1 HKAF COC(=O)[C@]1(c2ccccc2)C[C@@H]1CN1[C@H]2CC[C@@H]1C=C(c1ccc(Cl)cc1)C2 71319020 ZVHCIKGTRQHMOV-SRTADBNSSA-N 407.941 5.091 0 1 HKAF O=C(Oc1ccccc1)N1CCC(N[C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72101848 ZNJPHSGUPUIDCS-HSZRJFAPSA-N 421.928 5.077 0 1 HKAF Cc1nnc(Sc2c(-c3ccccc3)nc3ccccc3c2-c2ccccc2)s1 72116637 PLGPMTHMQNOCMN-UHFFFAOYSA-N 411.555 6.880 0 1 HKAF CSc1ccc(Oc2cnn(Cc3cccc4ccccc34)c(=O)c2Cl)cc1 73276184 XVZVUZYYFGQYAI-UHFFFAOYSA-N 408.910 5.612 0 1 HKAF COc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1F 73354359 ARNKJISQFPDKSI-UHFFFAOYSA-N 410.832 5.038 0 1 HKAF Clc1ccc(CNc2cc(Oc3ccc4oc5ccccc5c4c3)ncn2)cc1 82068356 KZNGDDNUBKDYGI-UHFFFAOYSA-N 401.853 6.434 0 1 HKAF CC1CCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)CC1 82163073 NXNKTWVZAYNFKD-UHFFFAOYSA-N 412.562 6.170 0 1 HKAF COC(=O)[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccc(SC)cc2)cc1 101038433 VBCBQYQOZQQZBS-RCEKXDHSSA-N 405.563 5.115 0 1 HKAF CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccsc2)C2=C(O)CC(C)(C)CC2=N1 103914526 NAMGTMSKHVTEJS-NRFANRHFSA-N 407.535 5.936 0 1 HKAF Cc1ccc(N2CCc3ncnc(N[C@H](C)c4ccc(Cl)cc4Cl)c3C2)nc1 114995090 CLBSVPYCZLWSCF-CQSZACIVSA-N 414.340 5.223 0 1 HKAF O=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2cc(C(F)(F)F)ccc2F)nc1 118826089 FSPTVAAJIWGNKG-UHFFFAOYSA-N 417.362 5.621 0 1 HKAF O[C@H]1CC[C@H](c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)C1 139147000 XIDKCIBKXWPXKX-RDJZCZTQSA-N 403.507 5.856 0 1 HKAF O=C(Nc1cccc(Br)c1)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 165826573 NTWQGTLUCUFDSM-RZDIXWSQSA-N 407.283 5.100 0 1 HKAF COc1ccccc1[C@H](c1ccc(OCCN(C(C)C)C(C)C)cc1)c1cccs1 206287357 SCEMCYUKNFYCHB-SANMLTNESA-N 423.622 6.435 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCCC(=O)N1Cc1ccc2nc(C)sc2c1 215900808 NWFKASOEMQBZIN-GOSISDBHSA-N 410.539 5.266 0 1 HKAF C[C@H]1C(=O)CC[C@H]2[C@H]3C=C[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C 238774449 AVTCCGXNGVAPQI-GPCZUBCCSA-N 410.686 7.843 0 1 HKAF CC[C@H](C)C[C@H](C)C[C@H](CO)C[C@@H](C)/C=C(C)/C=C(\C[C@@H](C)C(=O)OC)C(=O)OC 238785915 WZRMQIAMDZWMAG-OGXNWXHZSA-N 424.622 5.328 0 1 HKAF C/C=C(/C)[C@H](O)[C@@H](C)/C=C(C)\C=C/C[C@@H](C)/C=C\c1oc(OC)c(CC)c(=O)c1C 238785966 RZWLIPXWCCRKLN-BSVOXESMSA-N 414.586 6.024 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]21C 255195913 AOQRDALGACAKHI-SPPQGARDSA-N 414.718 7.881 0 1 HKAF C/C(=C/C=C/C(C)=C/C=C\C=C(/C)CCCO)[C@@H]1C=C2C(C)(C)C[C@@H](O)C[C@@]2(C)O1 257543277 SMTGOURXPBLNQN-PHWYCCIWSA-N 412.614 5.975 0 1 HKAF endogenous,in-man CCCCCn1cc2c(=O)n(CC34CC5CC(CC(C5)C3)C4)nc-2c2ccccc21 299859137 HPBXVJLLAUTLBT-UHFFFAOYSA-N 403.570 5.709 0 1 HKAF FC(F)(F)c1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1 587000174 GUCYMGIHPXMHSR-UHFFFAOYSA-N 421.216 6.076 0 1 HKAF C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccnc(N)c2[nH]1 587054934 NGNGJLDHNCMELM-LLVKDONJSA-N 415.280 5.779 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c1 587063624 XPQXRXZVVYTMSR-UHFFFAOYSA-N 422.915 6.705 0 1 HKAF Clc1cccc(COc2ccc(-c3nc4cc(Br)ccc4[nH]3)cc2)c1 587069536 COCPQCJDQLZFON-UHFFFAOYSA-N 413.702 6.225 0 1 HKAF COC(=O)c1ccc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2n1 587072019 ORFVQLOIFPJZOB-FTCGGANRSA-N 416.308 5.417 0 1 HKAF Cc1c(CSc2ccc(Cl)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587103049 VHRRCWUUHWIBPL-UHFFFAOYSA-N 415.945 7.009 0 1 HKAF COc1ccc2c(c1)[C@H](CC(=O)O)c1c-2nc2cccc3c2c1-c1ccccc1C3=O 587107127 OQPSRHGABPBKOW-IBGZPJMESA-N 407.425 5.042 0 1 HKAF Fc1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1Br 587126271 WSWUDSWDAHUYRC-BAQGIRSFSA-N 417.225 6.247 0 1 HKAF O=C1CCc2cc3nc(-c4cccc(CSc5cc(F)ccc5F)c4)[nH]c3cc2N1 587140625 DWNDJCOSJWJHJM-UHFFFAOYSA-N 421.472 5.685 0 1 HKAF CCOC(=O)c1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587148846 DGHMLVGIXXRTNC-NRFANRHFSA-N 408.404 5.186 0 1 HKAF C[C@@]1(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)C=C(c2ccccc2F)NO1 587154326 DIBNIPSPIMBEBG-KRWDZBQOSA-N 413.758 5.045 0 1 HKAF CC[C@]1(c2cc(F)c(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331169 ITSYRPHJQDTYOW-NZQKXSOJSA-N 416.370 5.613 0 1 HKAF Cc1ccc2c(c1)OCCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354709 AYOOTQLNLVICSK-ILBGXUMGSA-N 404.437 5.267 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC[C@H]3c2cccnc2)c1 587362432 HGUNZJUBNQRYEQ-FQEVSTJZSA-N 406.485 6.520 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC[C@@H]3c2cccnc2)c1 587362435 HGUNZJUBNQRYEQ-HXUWFJFHSA-N 406.485 6.520 0 1 HKAF C[C@@]1(c2cc3sccc3s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587372294 ILMKVJVYQFNCGV-IRLDBZIGSA-N 410.491 6.082 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(-c3ccc(C(F)(F)F)cc3)nc1C)O2 587383282 RVAXSUAJOXTOEG-KRWDZBQOSA-N 418.440 5.734 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(Cc3ccc(C)cc3)c1C)CC2=O 587476227 QNKATQZGMHFSDY-QHCPKHFHSA-N 404.510 5.221 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(COc1ccc(-c3ccccc3)cc1)CC2=O 587484620 SWDKFDVGGANVHS-SANMLTNESA-N 402.490 5.815 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1sccc1-c1cccc(C=O)c1)CC2=O 587496340 WGFPUASSRFPPNZ-DEOSSOPVSA-N 406.503 5.766 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1cccs1)(c1ccccc1C(=O)O)CC2=O 587496427 XJVRIVWQUBMSLZ-HSZRJFAPSA-N 408.475 5.013 0 1 HKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@H]1C[C@H]3C[C@@H]2C[C@@](Br)(C3)C1 587497824 DITWLGQGOFVHET-WGABNGDZSA-N 401.344 5.243 0 1 HKAF O=C1C[C@H](c2ccc(N3CCCC3)cc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587509395 RYXDEHKCKJXZFA-JOCHJYFZSA-N 415.455 5.891 0 1 HKAF CC(C)(C)OC(=O)Nc1ccccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587512695 OHYBELKZYVOYDV-VWLOTQADSA-N 407.510 5.793 0 1 HKAF Cn1nc(-c2ccccc2)c2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)sc21 587538977 SYPMDXVDEFGFAV-OAQYLSRUSA-N 414.530 5.887 0 1 HKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C1CCCC1 587579997 WMDBUXSPPJHASA-WIOPSUGQSA-N 403.478 5.629 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Oc2ccccc2)c1 587598916 CIFFMWASDZXPLT-OZXSUGGESA-N 410.425 5.887 0 1 HKAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccc(OC(F)(F)F)cc1 587622986 VVTHDMDUKNFADC-UHFFFAOYSA-N 410.193 5.681 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(OC(F)F)cc3)c2c1 587642212 QVSWXBUSBVBLFE-NSHDSACASA-N 411.370 6.533 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c([C@H]3CCCC[C@H]3C(=O)O)c2c1 587643195 ZOFUKSWEKXBPOM-UIAACRFSSA-N 409.957 7.360 0 1 HKAF C[C@@H]1CCc2cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)sc2C1 587660903 JMBGYPGSROORHQ-CQSZACIVSA-N 418.493 5.077 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(C(F)(F)F)ccc32)N1 587709836 BDZCOFDEHSGKRM-MLCYQJTMSA-N 414.240 5.331 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC(F)(F)F)c2F)N1 587721395 PUFLILZHKZNXGZ-VPTHRUTESA-N 422.191 5.250 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)c(Cl)cc2F)N1 587722301 XYFXMHJHHZXHLO-QPFGOUBPSA-N 421.112 5.832 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccc(F)cc3)n2)N1 587736753 UDKCMUDDUATJJV-GTJPDFRWSA-N 415.281 5.413 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(-c3ccccc3)no2)N1 587798362 VEBDNABIXFDLJC-YUNKPMOVSA-N 401.279 5.041 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C2(O)CCCCC2)N1 587821338 HUIUHNVFXMSLSV-IVZQSRNASA-N 418.350 5.061 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(C(F)(F)F)nc1 587864052 BUHXZKHJQFPPAJ-UHFFFAOYSA-N 401.310 5.371 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)N[C@@H]1CCC[C@H](C)[C@H]1C 587864642 QUOGRIXCJAFAMH-WOSRLPQWSA-N 411.493 5.125 0 1 HKAF CCCc1cc(C(=O)n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)cs1 587866984 OXEVXFXFUJTPAE-UHFFFAOYSA-N 408.445 5.670 0 1 HKAF COc1ccccc1-c1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1 587931789 MYCJUWRHGAFEOY-UHFFFAOYSA-N 415.237 5.946 0 1 HKAF Oc1cc(-c2ccc(Cl)cc2)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 587946402 XONKXPUBAFLMRM-UHFFFAOYSA-N 413.807 6.279 0 1 HKAF Cc1ccccc1[C@@]1(C2CCCCC2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962728734 FVISOEDQVNKWKD-JTHBVZDNSA-N 401.472 5.465 0 1 HKAF CN1CCc2c(Br)cccc2[C@@]12CC(=O)C[C@@H](c1ccc(Cl)cc1)C2 963282850 YUEHOIBLHSHMAE-QVKFZJNVSA-N 418.762 5.323 0 1 HKAF C[C@@H](CCCC(C)(C)O)Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 1772585062 UJZFGZSJRPWHFY-KRWDZBQOSA-N 406.534 5.100 0 1 HKAF CCc1ccccc1-c1cccc2cc(CNc3ccc(CC(=O)O)cc3)sc12 1772629578 RNHYCLDILVZJFD-UHFFFAOYSA-N 401.531 6.370 0 1 HKAF CCCC[S@](=O)c1sc2nc(-c3nccs3)cc(-c3nccs3)c2c1N 1772634722 TYJBYGMGVSFXRL-SANMLTNESA-N 420.610 5.033 0 1 HKAF COc1ccc([C@@H]2c3ccc4cccnc4c3Oc3nc4c(c(N)c32)CCCC4)cc1 1772635767 UIYNBKZEXYKPIY-OAQYLSRUSA-N 409.489 5.385 0 1 HKAF Cn1cc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(Cl)nc2)c2ccccc21 1857652146 WGLJSZOLJDOTLS-JOCHJYFZSA-N 414.896 5.218 0 1 HKAF CC(C)=C(C)CC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@@H](O)C[C@@H]1C(=O)O3 2356411040 XBLCKYCBDPEWDW-AHMLDDGOSA-N 414.630 6.564 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCC[C@@]1(C)CCc2cc(C)c(C)c(O)c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c3ccc(Cl)nc3)C3(c4cccnc4)CC2(C3)[C@H]1c1ccccc1 13812986 GFUSGGMKDGYRBN-AOAASEIISA-N 401.941 5.248 0 3 HKAF CCOc1cccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCC2CCCCC2)c1 2478313 OVGQHFZGVIFULL-UHFFFAOYSA-N 422.500 5.857 0 1 HKAF Cc1ccc(C)c(O[C@@H](CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 13973988 JRSDTDHTWWDFQP-DEOSSOPVSA-N 421.585 5.077 0 1 HKAF COc1ccccc1C1=NCC(=O)N(Cc2ccccc2)c2sc3c(c21)CCCC3 21021763 KPJZTILSNDQIMU-UHFFFAOYSA-N 416.546 5.020 0 1 HKAF COc1ccc(-c2cc([C@@H](O)[C@@H]3CCCCN3)c3cccc(C(F)(F)F)c3n2)cc1 27524277 OZJKNWOQEZCERX-SIKLNZKXSA-N 416.443 5.105 0 1 HKAF CCc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1CC[C@@H]1C[C@@H](O)CC(=O)O1 27710078 PNHBRYIAJCYNDA-NHCUHLMSSA-N 419.496 5.116 0 1 HKAF in-vitro Cn1ccc2c(OCCN3[C@H]4CC[C@@H]3C=C(c3ccc5ccccc5c3)C4)cccc21 28386284 PACNMVZHIRIVJY-RPBOFIJWSA-N 408.545 6.031 0 1 HKAF COc1ccc2cc([C@H](C)c3nnc4sc(Nc5ccccc5)nn34)ccc2c1 28823135 PURIBCMSNOVLMX-AWEZNQCLSA-N 401.495 5.243 0 1 HKAF Cc1ccc(S(=O)(=O)N(c2cc(Cl)ccc2CO)[C@H](C)CC(C)(C)C)cc1 28823152 LVTFUIQRTNZOGQ-MRXNPFEDSA-N 409.979 5.161 0 1 HKAF CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccc2ccccc2c1 36294632 WYOWIOBJNTYRNN-UHFFFAOYSA-N 417.552 7.883 0 1 HKAF in-vivo CC(/C=C/C1=CCCCC1(C)C)=C\C=C\C(C)=C\COC(=O)c1ccc(O)cc1O 40391242 LKHBCCXMLJWYFF-OGDGMTFFSA-N 408.538 6.396 0 1 HKAF O=c1c(Cc2ccc(-c3ccccc3)cc2)c(-c2ccc(O)cc2)oc2cc(O)ccc12 40423153 AMBSKUOANQGADA-UHFFFAOYSA-N 420.464 6.129 0 1 HKAF C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)c1ccc(F)cc1 45317537 YXQPDNYJXVGIES-SDUSCBPUSA-N 406.476 5.765 0 1 HKAF CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)CO[C@@H](c1ccccc1)C1CCC1 49036407 HWIDACPLMPKIBW-SXOMAYOGSA-N 417.593 5.669 0 1 HKAF O=c1cnc2cc(OC3CCCCC3)c(Nc3nc(-c4ccccc4)cs3)cc2[nH]1 72110896 QBMHZPITFGHOEX-UHFFFAOYSA-N 418.522 5.502 0 1 HKAF CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2C)n1 82177592 QRANXHFLBNXWHL-QGZVFWFLSA-N 400.551 6.453 0 1 HKAF O=C(O)c1[nH]nc(CCc2ccccc2)c1Cc1cccc(-c2ccc(F)cc2)c1 95557673 PPGFJRINCMDGKZ-UHFFFAOYSA-N 400.453 5.290 0 1 HKAF Cc1ccc(F)c(-c2cccc(C(=O)Cc3cnccc3[C@@H]3CCC[C@H](N)C3)n2)c1F 96177671 XEBUXOJPXKLUDA-AEFFLSMTSA-N 421.491 5.141 0 1 HKAF CCn1c(=O)nc(-c2ccccc2)c2oc3ccc(-c4ccc(CN(C)C)cc4)cc3c21 96906316 KGBFOEHJJVHZQB-UHFFFAOYSA-N 423.516 5.558 0 1 HKAF CCN(CC)C(=O)[C@H]1Sc2cc(OC)ccc2-c2c1c1ccccc1n2CCF 96909193 HFQUWZYJKYAJBG-QFIPXVFZSA-N 412.530 5.302 0 1 HKAF Oc1ccccc1/C=C/C[C@H]1C[C@@H]([C@@H](O)c2ccccc2)CO[C@@H]1c1ccccc1 96921343 XXGOGWCEEDHSHA-ZPISJIGPSA-N 400.518 5.923 0 1 HKAF O=c1ncn(CC2CCCCC2)c2ccc(Oc3ncccc3C(F)(F)F)cc12 96923005 OSVPQOCVTGUTSU-UHFFFAOYSA-N 403.404 5.183 0 1 HKAF CCCCCn1cc(C(=O)NC23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)c(=O)c2cccnc21 101094659 SWELXFURIBQVOH-VFNQFOGHSA-N 421.585 5.066 0 1 HKAF CC(C)(c1ccccc1)c1nnc(-c2sc3ccccc3c2OC2CCNCC2)o1 169307415 HJZXPCUUPLEOTI-UHFFFAOYSA-N 419.550 5.408 0 1 HKAF C=CC(=O)Nc1cccc([C@H](C)Nc2cc(-c3ccc4occ(C)c4c3)nc(C)n2)c1 205332350 ZKQYRCNGNXMHTP-INIZCTEOSA-N 412.493 5.804 0 1 HKAF COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c[nH]c4ccccc34)c12 225373411 YBBHADVVTLEPSZ-UHFFFAOYSA-N 409.449 5.540 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1ccnn1-c1ccccc1 253852582 MEYBRQJIPYRMAI-QBRNEFFTSA-N 414.593 6.189 0 1 HKAF CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 255222147 JZVFJDZBLUFKCA-JYVKWQKBSA-N 412.702 7.801 0 1 HKAF C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@@]5(C)[C@@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 299813345 WQLVFSAGQJTQCK-FAJLRBOFSA-N 414.630 5.714 0 1 HKAF O=S(=O)(/C=C/c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1ccccc1 586924043 FTCJBECEHKJXND-OUKQBFOZSA-N 417.515 5.284 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2ccnc(OC)c2[nH]1 586982380 ULGXICVJTGIIGW-UHFFFAOYSA-N 404.308 5.355 0 1 HKAF Clc1cnc2[nH]c(-c3ccccc3OCc3ccc(Br)cc3)nc2c1 586997911 FWAVEGRBUWAFCF-UHFFFAOYSA-N 414.690 5.620 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4nc(Br)c[nH]c-4n3)c21 587031003 NHOYYCGXJSONTC-SNVBAGLBSA-N 414.332 5.026 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587075872 NUOFWMAFKRXWFN-UHFFFAOYSA-N 411.214 6.050 0 1 HKAF CCCc1c(-c2ccc(C(F)(F)F)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587103560 JYNNJJJJBGQKBL-UHFFFAOYSA-N 417.430 7.085 0 1 HKAF Fc1cc(Br)c2[nH]c(-c3cc(Cl)c(Br)cc3F)nc2c1 587136084 BQYCZBKBHLGTCJ-UHFFFAOYSA-N 422.454 5.687 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(F)c(Br)c2[nH]1)C1CCCC1 587226390 PTULNRQZSZVTOC-CQSZACIVSA-N 412.303 5.221 0 1 HKAF COc1cccc(-c2cc(-c3ccc(C(C)(C)O)cc3)nc3c2oc2ccccc23)c1 587365188 DGMPUBJBZKWQPZ-UHFFFAOYSA-N 409.485 6.551 0 1 HKAF COc1cccc(-c2c(CCCCCC(=O)O)c(C)nc3c2oc2ccccc23)c1 587366321 KXDNNSMAIKUBJK-UHFFFAOYSA-N 403.478 6.153 0 1 HKAF Cc1cc([C@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)s1 587376247 PEOIIGYXYJAONP-UPVQGACJSA-N 410.510 6.120 0 1 HKAF CCCOc1c(Cl)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC 587424181 XSIRCNQQNUJUEL-VFNWGFHPSA-N 402.874 5.025 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c[nH]c4cccc(OCc5ccccc5)c14)[C@@H](C2)C3=O 587436886 CAVZQFGKVXAXND-QYBDOPJKSA-N 411.457 5.244 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCC=C(NNc3ccc(Cl)cc3)C1)CC2=O 587463647 WNHGIPKZNGBWDQ-QHCPKHFHSA-N 412.917 5.387 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1nc(-c3cc(C)c(OC)c(C)c3)cs1)CC2=O 587494671 LPMONAAQZNRELQ-OAQYLSRUSA-N 423.534 5.800 0 1 HKAF O=C1C[C@]2(CCc3c(Br)cc(F)cc32)Oc2c1ccc1c2CCCC1 587510970 ZQASLCMWGRMYKN-NRFANRHFSA-N 401.275 5.274 0 1 HKAF Cc1ccc(C)c(-c2n[nH]cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587592311 XZGXPYQOQQPDQP-BWKNWUBXSA-N 412.445 5.102 0 1 HKAF CCOC(=O)C[C@@]1(CC2CCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596336 NOMRRVPBYRALCE-WIOPSUGQSA-N 424.493 5.016 0 1 HKAF O=C(c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C1CCCC1 587603497 PMNKPXBIZAQQGP-BKMJKUGQSA-N 414.457 5.468 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2cccc(O)c2)c1 587610114 PSUQQXSOIWVLFK-ZEQKJWHPSA-N 410.425 5.468 0 1 HKAF Cc1oc2ccc(O)cc2c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615789 HMSLALSJTYGTOO-QPPBQGQZSA-N 402.402 5.029 0 1 HKAF COc1cc(Cl)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 587691065 BPKVKFWFLGXGEY-CQLKUDPESA-N 419.121 5.527 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1Cl 587696428 UIIDPFGRYGZOPM-XLFHBGCDSA-N 403.122 5.827 0 1 HKAF Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1C(F)(F)F 587710307 FVJVVMPPPKRESS-VOJFVSQTSA-N 416.256 5.713 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(F)cc2F)N1 587725339 PRHIHYGJONAYAX-YBTHPKLGSA-N 421.260 5.281 0 1 HKAF Cc1ccc(-n2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c(C)c1 587753470 JDELSLHCKZCUFC-IVZQSRNASA-N 413.334 5.619 0 1 HKAF CCCOc1c(OC)cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587794095 OAQIECDVLOZWDQ-BLVKFPJESA-N 408.311 5.009 0 1 HKAF CCCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587798147 XPWGOLXIMXSDSU-MPBGBICISA-N 408.311 5.009 0 1 HKAF C[C@@H](Cc1ccc(C(C)(C)C)cc1)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587819309 LQUJFSWZYGXDCE-KIMHZCHSSA-N 418.394 6.340 0 1 HKAF FC(F)(F)Oc1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Cl 587955010 DWVDUJVZXZWNNX-MRXNPFEDSA-N 416.830 6.490 0 1 HKAF COc1cccc([C@@]2(c3cc(C)ccc3C)NCCc3cccc(-c4ccccc4)c32)n1 962656376 APXUSTBJQLHFCF-GDLZYMKVSA-N 420.556 5.812 0 1 HKAF CC(C)c1nn(C)c2c1[C@@]1(C=C(c3ccc(Cl)cc3)Oc3ccccc31)NCC2 962916869 XLSWVJRWYWPGEM-DEOSSOPVSA-N 405.929 5.020 0 1 HKAF CCCN1[C@@H](c2ccc(OC(F)F)c(OC3CCCC3)c2)c2ccccc2C[C@H]1C 963222775 CUKUALVHCYPGCM-OSPHWJPCSA-N 415.524 6.355 0 1 HKAF Cc1ccc([C@@H](CNC(=O)c2ccc(/C=C/c3ccccc3)cc2)n2ccnc2)cc1C 1772630811 UCZSCRJCMATYOS-PCUWGRHASA-N 421.544 5.690 0 1 HKAF CCCCc1cc(NC(=O)CCc2ccc3c(Cl)c(O)ccc3c2)c(C(=O)O)[nH]1 1911580424 IUQPCBOOXYHWRN-UHFFFAOYSA-N 414.889 5.139 0 1 HKAF CC1=C[C@H](CNCc2ncc[nH]2)[C@@H](C(C)C)C[C@H]1Cc1nc2ccc(Cl)cc2[nH]1 2356288100 WDWVCDOOUNQTCJ-YQVWRLOYSA-N 411.981 5.126 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@]4(O)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356306854 KKCUYJKFHVZXJO-QCWMPVQFSA-N 414.674 6.526 0 1 HKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@H]([C@@H]2CC=C3C[C@H](O)CC[C@@]3(C)C2=O)[C@@]1(C)CCO 2356529237 YPMPBUHXNURWKY-YXPVIIQESA-N 402.619 5.316 0 1 HKAF CC(=O)OC[C@H](C)[C@@H]1CC[C@@]2(C)O[C@H]1C=C(C)CCC=C(C)CC[C@@H]2OC(C)=O 2356794535 HZKSNOGDILDBEM-KGZUAYNTSA-N 406.563 5.138 0 1 HKAF Clc1ccc(-c2nc(-c3cccc(Oc4ccccc4)c3)c(-c3ccncc3)[nH]2)cc1 2006288 KWBJZWKTXONOQI-UHFFFAOYSA-N 423.903 7.251 0 1 HKAF CCOc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)NC2CCCCC2)cc1 2481084 QEFLAWHNAUUXFZ-UHFFFAOYSA-N 424.928 6.123 0 1 HKAF CCc1ccccc1-n1c(C)nc2cc(C(=O)NCCc3ccc(Cl)cc3)ccc21 3032310 GOBYXWYAJVKFJU-UHFFFAOYSA-N 417.940 5.522 0 1 HKAF COc1c(Cl)c(O)c2c(=O)c(-c3cc(Cl)c(O)c(Cl)c3)coc2c1Cl 13451755 DLYZYPZOHLDANF-UHFFFAOYSA-N 422.047 5.493 0 1 HKAF biogenic,in-vitro CCCCN(CC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(CC)c12 13553394 PWXWSTUFCQLEAY-UHFFFAOYSA-N 405.373 6.360 0 1 HKAF O=C(Nc1ccccc1)c1cccnc1[S@@](=O)C(c1ccccc1)c1ccccc1 13605227 QAUJYVDSNUIEQX-SSEXGKCCSA-N 412.514 5.231 0 1 HKAF O=C(Nc1ccccc1C(=O)O)c1ccc(Br)c(Oc2ccccc2)c1 13611163 XOENRMSDPFHAEO-UHFFFAOYSA-N 412.239 5.192 0 1 HKAF in-vivo CC(C)=CCc1cc([C@@H]2CC(=O)c3c(cc(O)c(CC=C(C)C)c3O)O2)c(O)cc1O 14727507 XLHAGJGNSIEVFB-QFIPXVFZSA-N 424.493 5.233 0 1 HKAF biogenic Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)N5CCN(c6ccccc6)CC5)(C4)C2)C3)cc1 28896248 PFMKYYGUQHFMAF-CSVUYUCVSA-N 414.593 5.182 0 1 HKAF CC(C)(C)c1ccc2[nH]cc(CCNC(=O)c3ccc(OC(F)(F)F)cc3)c2c1 29040572 UKIPKXUMFGCPIQ-UHFFFAOYSA-N 404.432 5.337 0 1 HKAF CC(=O)N[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 34513656 RBBVXROQBNFDAF-HXRMFLBJSA-N 401.591 5.022 0 1 HKAF biogenic CC1(C)C[C@H](NC(=O)Nc2ccccc2Cl)c2cc(Br)ccc2O1 38279989 GZJQSNLEMHHIIP-HNNXBMFYSA-N 409.711 5.526 0 1 HKAF Clc1ccc(-c2nc(N3CCCCC3)nc3c2CCc2ccccc2-3)c(Cl)c1 45244950 SPPYCPGBSFLPTR-UHFFFAOYSA-N 410.348 6.206 0 1 HKAF FC1CCN(Cc2cccc(-c3nc(-c4cccc(C(F)(F)F)c4)c[nH]3)c2)CC1 66252665 MVNYJLQHGCDXQG-UHFFFAOYSA-N 403.423 5.696 0 1 HKAF CCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1 66259353 FGWRYMHPXJPSPO-UHFFFAOYSA-N 404.554 5.014 0 1 HKAF Cc1c(CNCC(C)C)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1 72176146 RNBQBVQIVKXCDG-UHFFFAOYSA-N 410.525 5.222 0 1 HKAF CC(C)CN(C)c1ncc(C(=O)NCC2CC2)c(-c2ccc(-c3ccccc3)cc2)n1 82159658 MCBMSRQNVPLQJU-UHFFFAOYSA-N 414.553 5.043 0 1 HKAF COc1ccc(N(C(=O)CNc2ccccc2Nc2ccc(Cl)cc2)C(C)C)cc1 84733053 AJSAPFIHHFCFIJ-UHFFFAOYSA-N 423.944 5.946 0 1 HKAF Clc1ccc2c(Nc3ccc4c(c3)NCN(Cc3ccccc3)C4)ccnc2c1 95572310 OMPKZXGSICWCIP-UHFFFAOYSA-N 400.913 6.017 0 1 HKAF Cc1nn(-c2ccccc2)c2nc3c(nc12)/C(=C/c1ccccc1Cl)c1ccccc1-3 95588351 DCDOIFDWXWZNDZ-RCCKNPSSSA-N 420.903 6.347 0 1 HKAF Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc(C)c1Cl 95594360 OJYCLLABLJLPEC-UHFFFAOYSA-N 414.962 5.546 0 1 HKAF Cc1cc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4n3C)cc2)ccn1 139078734 QYTNRSYCALDEEE-UHFFFAOYSA-N 420.472 5.362 0 1 HKAF COc1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 169305413 GYQSILBPRNOVKR-UHFFFAOYSA-N 414.383 5.219 0 1 HKAF CCC[P@](=O)(OCC)c1ccc(Nc2cc(-c3ccccc3OC)ncn2)cc1 169346817 HHPMNGJSIDSQBK-LJAQVGFWSA-N 411.442 5.246 0 1 HKAF Cc1nn(Cc2ccc(COc3ccc(Cl)c(Cl)c3)cc2)c(C)c1CC(=O)O 169704033 YZFWUHDPBKMREN-UHFFFAOYSA-N 419.308 5.061 0 1 HKAF CCCc1nc2c(OC)cccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 204415239 XRNAOAWRWJLMGK-UHFFFAOYSA-N 400.478 5.411 0 1 HKAF CC[C@H](/C=C/[C@H](C)[C@H]1CC[C@@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 255255785 OQMZNAMGEHIHNN-JLSCBDSZSA-N 410.686 7.721 0 1 HKAF CC(C)COc1cc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2cc1Br 586882041 IOWNJTFOVULJJO-BQYQJAHWSA-N 415.287 5.229 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@H](O)[C@H](C)c4ccc(C)cc4)[nH]c3c2)cc1 586892457 SKRBOWMSXRLGPK-WAIKUNEKSA-N 416.477 5.287 0 1 HKAF Cc1cc(Br)ccc1OCc1nc2cc(Br)cc(F)c2[nH]1 586980910 GZQKXRNVYNMTJS-UHFFFAOYSA-N 414.072 5.114 0 1 HKAF Cc1cc(Br)ccc1OCc1nc2ccc(Br)c(C)c2[nH]1 586981265 NGROJVFGEYZSKM-UHFFFAOYSA-N 410.109 5.284 0 1 HKAF COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1C(F)(F)F 586992636 HZXVXNAENOXKFT-UHFFFAOYSA-N 419.402 6.449 0 1 HKAF CC(C)Oc1cc2[nH]c(-c3ccc(-c4nccs4)s3)nc2cc1Br 587022959 APNYSCJBLFAVHF-UHFFFAOYSA-N 420.357 5.965 0 1 HKAF Nc1c(-c2nc3cccc(Br)c3[nH]2)sc2cc(Br)ccc12 587029286 LJIINWBTUQEVCU-UHFFFAOYSA-N 423.133 5.552 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(F)c(C)c3[nH]1)N2 587033630 ZDXBCCHNOZTXSD-NGPAHMQLSA-N 402.520 5.137 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1 587071339 KEPNPJFWWGEQLA-NNCGYZKMSA-N 419.283 6.073 0 1 HKAF Cc1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1Br 587082468 QGUMARYBGDYPTR-UHFFFAOYSA-N 417.694 5.187 0 1 HKAF FC(F)(F)Oc1cccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 587125905 VFYBVGSMPXMZNP-RMKNXTFCSA-N 404.335 6.244 0 1 HKAF Cc1cc(Br)c(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1F 587138172 YXHYDYGHCNZINI-UHFFFAOYSA-N 418.491 5.856 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@H](C)c4ccc(N(C)C)cc4)[nH]c3c2)cc1 587194950 DHYDTGKXKUESJC-MRXNPFEDSA-N 415.493 5.360 0 1 HKAF O=C(Nc1ccccc1)c1ccc(-c2nc3c(Br)cc(F)cc3[nH]2)cc1 587244973 UAQKVEOWBFAWJZ-UHFFFAOYSA-N 410.246 5.384 0 1 HKAF CC1=C(CC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(C)(C)CCC1 587348712 AQCBLVFGXJPFPG-SHQCIBLASA-N 422.540 6.956 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](Cn2ccnc2)CCCC3)c1 587363094 OWSJFMQPBDLZQS-IBGZPJMESA-N 423.516 6.363 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cnccc1C)(c1cccc(F)c1C)CC2=O 587464809 AHPMTGQUMVFYBM-VWLOTQADSA-N 405.469 5.405 0 1 HKAF CCCc1c(O)ccc2c1OC(c1cccc(OC)c1)(c1cccc(OC)c1)CC2=O 587476909 GSSNKTNPWVHQNT-UHFFFAOYSA-N 418.489 5.271 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Sc3ccc(Cl)cc3)o1)CC2=O 587491584 LVKUNWIDTUJINS-FQEVSTJZSA-N 414.910 6.449 0 1 HKAF O=C1C[C@@H](c2cc(C(F)(F)F)nn2C2CCCC2)Oc2c1ccc1c2CCCC1 587506627 KQKJEXSTOKKXKR-IBGZPJMESA-N 404.432 5.602 0 1 HKAF O=C1C[C@]2(CCc3cc(Br)cc(F)c32)Oc2c1ccc1c2CCCC1 587509468 SCNASHCIUFELEI-NRFANRHFSA-N 401.275 5.274 0 1 HKAF CC(C)(C)OC(=O)N1CCc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587515589 VKSUBBUUZZXUKH-QHCPKHFHSA-N 419.521 5.570 0 1 HKAF O=C1C[C@@H](c2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)Oc2c1ccc1c2CCCC1 587526926 RYFPOWXRLYYKLR-UFLMRAFUSA-N 402.538 5.463 0 1 HKAF O=C1C[C@@H](c2ccc(Sc3ccccc3Cl)cc2)Oc2c1ccc1c2CCCC1 587533445 UDSWQSCROJLOND-QHCPKHFHSA-N 420.961 7.077 0 1 HKAF CC(C)C[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548894 RABUMRYTXBPKFW-QPPBQGQZSA-N 408.881 5.949 0 1 HKAF Cc1cc(N2CCCC2)c(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554859 FMTMMIUCYJFHNL-RDGATRHJSA-N 419.452 5.143 0 1 HKAF COc1ccc(-c2[nH]c3cccc(F)c3c2-c2ccccc2C)c(Br)c1 587632260 IJAOVKZQKCMEML-UHFFFAOYSA-N 410.286 6.721 0 1 HKAF COc1ccc(-c2[nH]c3cccc(F)c3c2-c2ccccc2F)c(Br)c1 587634477 GQNZCTZHVJCJNK-UHFFFAOYSA-N 414.249 6.551 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3ccnc3)c(Cl)c2)N1 587694362 LJNUJWRJNCUVJI-WYRIXSBYSA-N 420.713 5.051 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(C(F)(F)F)cc2)N1 587715094 RMKATIDCGSRONY-BBATYDOGSA-N 416.256 5.599 0 1 HKAF Cc1ccc(C(F)(F)F)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587715220 XHJPRBWTXOIWJX-QGHHPUGFSA-N 402.229 5.539 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3)cc2F)N1 587724280 GQBDZQQZPYKCHF-DMZKTXOQSA-N 414.293 6.018 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(F)c3F)o2)N1 587725821 GJZIFXQPFMGGQN-FVINQWEUSA-N 422.244 5.750 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=C(c3ccc(F)cc3)CC2)N1 587733359 LHTVYBNOIBIULD-ASSNKEHSSA-N 404.298 5.724 0 1 HKAF CCOC(OCC)c1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587795588 RCTMESWDOQHCOX-RBZFPXEDSA-N 422.338 5.283 0 1 HKAF COc1ccccc1C[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587804888 CYZNSHVUKFEDRC-LHSJRXKWSA-N 406.339 5.225 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC3CCCC3)cc2)N1 587807900 FAWUVNCDCNXWEL-YEJXKQKISA-N 404.323 5.533 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccn3)s2)N1 587849846 WOSFXFCVHLMSFS-JEOXALJRSA-N 403.320 5.335 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2Cc2cccs2)N1 587852102 KLDVKTLGDHFXIJ-BLVKFPJESA-N 405.336 5.123 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N)cc2)(c2cccs2)N1 587854994 VAIQUWDYPLVBAV-MPBGBICISA-N 417.347 5.058 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C(F)(F)F)ccn1 587865311 UFDYKJKOAHDLPI-UHFFFAOYSA-N 401.310 5.371 0 1 HKAF CCN(c1ccc(-c2csc(-c3cccc4ccccc34)n2)cc1)S(C)(=O)=O 587923532 VEPYFHFGEYTZSS-UHFFFAOYSA-N 408.548 5.416 0 1 HKAF FC(F)(F)C(F)(F)c1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cn1 587949846 DEQHTECXVTXZNZ-UHFFFAOYSA-N 401.379 5.097 0 1 HKAF CCC[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C(C)C 587956262 POAVIYXOCJJNSQ-QGZVFWFLSA-N 405.951 5.557 0 1 HKAF COc1ccc(CO/C(O)=C2/C(C)=Nc3nc4ccccc4n3[C@H]2c2ccco2)cc1 618007165 NZFLBJPNBKHTMX-VFJWVMJUSA-N 415.449 5.320 0 1 HKAF COc1ccc2c(c1OC)[C@](c1cccc(C(F)(F)F)c1)(C(C)C)N(C)[C@H](C)C2 962640548 WVUPHVCPFPEKMG-IVZQSRNASA-N 407.476 5.499 0 1 HKAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](c2ccc(Cl)cc2Cl)(C2CCCC2)N1 962893010 FXJVRJGYRROQRN-PZJWPPBQSA-N 408.300 5.165 0 1 HKAF Cc1cc(-c2nc(-c3ccc(OC(C)C)c(C)c3)n3c2CCO[C@H](CF)C3)cc(C)n1 1772641795 XZAXSFVOHFUEQA-OAQYLSRUSA-N 423.532 5.235 0 1 HKAF COc1ccc(-c2cccc(Cl)c2C)cc1[C@H](CC(=O)O)c1ncc(C)s1 1772648125 LYZXFKKVKREVMP-KRWDZBQOSA-N 401.915 5.696 0 1 HKAF COc1ccc(Sc2ccccc2-c2cn(-c3cccc(OC)c3OC)nn2)cc1 1857566747 DWNCWYNHWBEZKE-UHFFFAOYSA-N 419.506 5.111 0 1 HKAF Cc1ccc(NC(=O)[C@H](C)c2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)nc1 1857633905 HMQQYHAUCXGHDA-CQSZACIVSA-N 400.404 5.290 0 1 HKAF Clc1cccc2c(-n3cnc4c(-c5nc[nH]n5)cc(-c5ccncc5)cc43)ccnc12 1911580161 MASYQGOSXMDVNJ-UHFFFAOYSA-N 423.867 5.074 0 1 HKAF CC(C)=CCCC(C)=CCc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)c(O)cc1O 2356436151 CGAAHNXTXSLXAJ-UHFFFAOYSA-N 422.477 5.518 0 1 HKAF COC1=C(C)C(=O)OC1=C[C@@H](C)CCC=C(C)CCCC(C)=CCCc1ccoc1 2356479639 XSQCUPIVRSNKHU-NRFANRHFSA-N 412.570 7.053 0 1 HKAF CC[C@@H](CC(C)C)C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356511071 WVNIISADYSWCOG-PYYRWUFESA-N 414.718 8.025 0 1 HKAF CC(=CC=C[C@@]1(C)CCc2cc(C(=O)O)ccc2O1)CCC1=C(C)CCCC1(C)C 2356602767 LETDMCNTDMLJHX-MHZLTWQESA-N 408.582 7.278 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356669469 DDKSQIWASYXGKZ-SJIUKTLUSA-N 402.663 6.360 0 1 HKAF COc1cc(-c2cc(=O)c3c(O)cc(O)c(C=C(C)CCC=C(C)C)c3o2)ccc1O 2356765263 GSKCCTCCRCROKT-UHFFFAOYSA-N 422.477 5.735 0 1 HKAF CC(=CCCC(C)=CCCC(C)=CCC[C@]1(C)C=Cc2cc(O)cc(C)c2O1)CO 2356841994 MJZFBVOMKKZNIC-HHHXNRCGSA-N 410.598 7.037 0 1 HKAF COC(=O)C=C(OC)[C@H](C)[C@@H](C=Cc1csc(CCCCCC(C)C)n1)OC 2356868245 WZUBQUSSGYCRFH-IEBWSBKVSA-N 409.592 5.270 0 1 HKAF COc1cc(-c2coc3c(C(=O)Nc4ccc(C(C)C)cc4)cccc23)ccc1O 61929771 SFSJALNFWHEOQO-UHFFFAOYSA-N 401.462 6.190 0 3 HKAF CC(C)=CCC/C(C)=C/COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1 3585487 XHCAXPZUMUUNKN-HZUJZGFBSA-N 408.494 5.876 0 1 HKAF CCCCCc1ccc(-c2ccc(C(=O)Oc3ccc(OCCCC)cc3)cc2)nc1 4718387 MBIVZJNMVJPYEV-UHFFFAOYSA-N 417.549 6.879 0 1 HKAF CC(C)[C@@H]1CC[C@]2(C)[C@H](CCC3=C4CC(C)(C)CC[C@]4(C)CC[C@@]32C)[C@@]1(C)CCO 13374629 DSNLWAKLGZAYFK-AHFUOAOSSA-N 414.718 8.171 0 1 HKAF biogenic O=C(O)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccc(Cl)cc2Cl)n1 13534725 XPIHGXBSMIVTBJ-UHFFFAOYSA-N 409.272 6.211 0 1 HKAF C[C@]12CC[C@@]3(CCC(=O)O3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1 13603694 WNHJVYHUSOTSDL-KYKUSYFHSA-N 400.559 5.181 0 1 HKAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1O[C@H]1C[C@H]2CC[C@@H]1C2 29413709 AOGQPQXZFOWMDY-JKDFXYPNSA-N 407.297 5.217 0 1 HKAF CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(OC)cc3)C[C@@]21C 34802075 OAYLSAHITBROEB-WKWWZUSTSA-N 416.561 5.349 0 1 HKAF O=C(Nc1ccc(Oc2cccc(NC(=O)c3ccccc3)c2)cc1)c1ccccc1 40918837 SXZMZKLWNNJXEN-UHFFFAOYSA-N 408.457 5.984 0 1 HKAF c1ccc(C2=NN(c3nc4nc5ccccc5nc4s3)[C@@H](c3ccccc3)C2)cc1 40951956 YTRHOUCWHXRJHF-OAQYLSRUSA-N 407.502 5.595 0 1 HKAF CC(C)NC(=N)c1ccc(NCCCCCNc2ccc(C(=N)NC(C)C)cc2)cc1 40953615 YJCCSVQMPRKTKC-UHFFFAOYSA-N 422.621 5.028 0 1 HKAF CCCCc1ccc(CN[C@H]2CCCC[C@@H]2NCc2ccc(CCCC)cc2)cc1 66078794 BZHSIVUDMWXDPH-NSOVKSMOSA-N 406.658 6.562 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C 70454735 NAJCQAAOHKVCES-GSFUUBGPSA-N 424.713 8.377 0 1 HKAF CC1=CC[C@H](C)O[C@@]2(C1)C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 72121486 DIMLQSPLVRAKGM-KSFYIVLOSA-N 412.327 5.336 0 1 HKAF c1ccc(CC2CCN(c3cc(Oc4ccc(-c5ccccc5)cc4)ncn3)CC2)cc1 82067560 RUJJSNSEHPSSEQ-UHFFFAOYSA-N 421.544 6.395 0 1 HKAF CCCCCNC(=O)[C@@H]1CCCN1c1nc(-c2cccc(C(F)(F)F)c2)cs1 82197879 HAALGFHQYNAUMH-KRWDZBQOSA-N 411.493 5.104 0 1 HKAF Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3cccc(N(C)C)c3)nc12 96167779 MZDZFBRVVPRKIT-UHFFFAOYSA-N 405.889 5.169 0 1 HKAF COc1cc(-c2cc3ccccc3[nH]2)ccc1-c1cc2ccc(Br)cc2[nH]1 103259919 UOQCMJITWOVEON-UHFFFAOYSA-N 417.306 6.754 0 1 HKAF CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 103911674 IJIPROUPSDGENI-QHCPKHFHSA-N 423.509 5.490 0 1 HKAF Cc1ccc2c(-c3ccc4c(c3)CCCO4)c([C@H](OC(C)(C)C)C(=O)O)c(C)nc2c1 139451631 XDIUOHRHXJZKKY-DEOSSOPVSA-N 419.521 5.784 0 1 HKAF CCOC(=O)c1c(CSc2ccccc2C(F)(F)F)n(C)c2ccc(O)cc12 169345887 QTZYDBPRCVUFAE-UHFFFAOYSA-N 409.429 5.372 0 1 HKAF C[C@@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@@H]2CCN(CCc3ccccc3)C[C@H]21 169373624 MEFBNOXISJBUAP-MDKPJZGXSA-N 412.499 6.027 0 1 HKAF CC1(C)CC(=O)[C@H]2C(=Nc3ccc(C(=O)O)cc3N[C@@H]2c2c(F)cccc2Cl)C1 169722090 LGUKSKUMIRVUCO-WOJBJXKFSA-N 414.864 5.422 0 1 HKAF O=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)C1CCCCC1 199852653 PVWASZAUCMLNNR-UHFFFAOYSA-N 404.432 5.154 0 1 HKAF CC(C)=CCc1c(O)c(CC=C(C)C)c2occ(-c3ccc(O)cc3C)c(=O)c2c1O 238770385 CFUBOHNUPOKQCF-UHFFFAOYSA-N 420.505 5.903 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@@]12C 255269546 SZLHPSKURYFPPQ-ICYWDURPSA-N 410.730 9.364 0 1 HKAF CN(CCCN1CCc2c([nH]c3ccccc23)[C@@H]1c1ccccc1)Cc1ccccc1 299826041 YGMOUIUWBGYGMW-NDEPHWFRSA-N 409.577 5.638 0 1 HKAF Clc1ccc2c(Nc3ccc4oc(=NCCN5CCCCC5)[nH]c4c3)ccnc2c1 474609033 NVWGQSKNAUDYDD-UHFFFAOYSA-N 421.932 5.093 0 1 HKAF O=[S@](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(c1ccccc1)c1ccccc1 586960317 OOJASAONYCVBHO-GDLZYMKVSA-N 414.452 5.620 0 1 HKAF Cc1cc2c(Br)ccc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2o1 587004629 WKEDDCPDZBAKBR-UHFFFAOYSA-N 411.234 5.372 0 1 HKAF Cc1ccnc2nc(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCC4)[nH]c12 587032009 XOXZTPIZTZRNBI-UHFFFAOYSA-N 408.914 5.389 0 1 HKAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(C(C)(C)C)cc3[nH]2)cc1 587040237 LXBOICNAODHJPF-FQEVSTJZSA-N 409.555 5.147 0 1 HKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 587044440 BIXUKXRKPOIJJY-UHFFFAOYSA-N 423.243 6.166 0 1 HKAF Cc1cc(Cl)ccc1OCCCc1nc2cc(Br)cc(Cl)c2[nH]1 587067218 ZBZLGLSLGZMYNU-UHFFFAOYSA-N 414.130 5.952 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Cl)cc(F)c2[nH]1)c1cccc(Cl)c1 587069568 CYVQVNNWVQCHCI-OAHLLOKOSA-N 424.303 5.817 0 1 HKAF Oc1ccccc1-c1cc(-c2nc3cc(Cl)ncc3[nH]2)c2cccc(Cl)c2n1 587081837 WCDOWRJASSMVQG-UHFFFAOYSA-N 407.260 5.853 0 1 HKAF Clc1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c(Cl)n1 587081865 WZEXEWYOXXWHAM-UHFFFAOYSA-N 415.671 5.295 0 1 HKAF Clc1cc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c2ccccc2n1 587084725 FRVMLOUZYBLMFF-UHFFFAOYSA-N 412.905 6.708 0 1 HKAF CCOC(=O)[C@H]1C[C@H](C(C)C)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587096326 CPXKMGNBJFNQNP-IERDGZPVSA-N 413.517 5.620 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2c1 587109729 STFRIWRXKVIOFU-UHFFFAOYSA-N 410.351 5.178 0 1 HKAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 587121443 DOWRXBIOJLKOEZ-UHFFFAOYSA-N 412.293 5.399 0 1 HKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)cc1 587158070 INMKXFDRDVCDAH-UHFFFAOYSA-N 402.322 6.006 0 1 HKAF Cc1c(F)ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12 587165416 UWWUSRNMUXFZHP-UHFFFAOYSA-N 415.447 5.487 0 1 HKAF Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)cc1 587216479 BXQYGMMGRIXOPZ-UHFFFAOYSA-N 400.503 5.110 0 1 HKAF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1OC 587351616 NBHDMZURDQXJAT-WIOPSUGQSA-N 422.452 5.131 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3cc(Br)cnc3c1)CC2=O 587459930 QRGNQPWBQZEVIE-HXUWFJFHSA-N 412.283 5.362 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1cc(Cl)ccc1OC)CC2=O 587461653 LJVLNLCYDLKXEC-QFIPXVFZSA-N 411.885 5.504 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccc(C)cc3)nc1C(C)(C)C)CC2=O 587477827 VIWICQKEVQAINI-HSZRJFAPSA-N 418.537 5.843 0 1 HKAF COc1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1Cl 587505876 LXDSJDOLGJTASN-QHCPKHFHSA-N 408.881 6.194 0 1 HKAF Cc1cc(C(C)(C)C)cc(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604837 ZHBMZTFCRJFWNE-HOFKKMOUSA-N 416.517 6.184 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)F)c(C(=O)c3ccc(F)cc3)c2c1 587641153 KSLSKXIAWRTBOD-LLVKDONJSA-N 413.361 6.706 0 1 HKAF CC(C)=C[C@H]1[C@H](C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)C1(C)C 587657176 XWKKUMQCIMPXST-FXAWDEMLSA-N 408.448 5.220 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(F)c(F)c(F)c(F)c2F)N1 587717774 GTQHKTJMYQOUJY-ZWBDZOEQSA-N 424.182 5.081 0 1 HKAF COc1c(F)cc(F)cc1/C=C/[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587720061 MHCVTSBPFOBDGH-GHGUKCLNSA-N 412.249 5.164 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3)cc2F)N1 587726092 UGHAEZBWTPWTQH-WHEQGISXSA-N 414.293 6.018 0 1 HKAF Cc1onc(-c2ccc(F)cc2)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587729054 BSFIMJQMNHXFNI-FVINQWEUSA-N 419.269 5.314 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2Cc2ccccc2F)N1 587729651 WKVZQJVLFIRYOU-ASSNKEHSSA-N 417.297 5.201 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3ccncc3)c2)N1 587778905 OSFKKYNDUAJGFA-RCDICMHDSA-N 411.318 5.448 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccccc3)C[C@@H](C)C2)N1 587818050 PCLBGBVKTDAWPX-CAAIWKOSSA-N 402.351 5.922 0 1 HKAF C[C@@H]1C[C@H](c2ccccc2)C[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587818052 PCLBGBVKTDAWPX-CZFFTMAUSA-N 402.351 5.922 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CNc1ccccc1F 587857058 ZWVPSHSCJVOHDZ-UHFFFAOYSA-N 408.260 5.147 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(OC)c1C 587858531 IZSWGESJODGHBH-UHFFFAOYSA-N 405.281 5.261 0 1 HKAF COc1ccc(C2(c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)CC3(CCC3)C2)cc1 587937620 QELFFZIUJDSRGR-UHFFFAOYSA-N 404.407 5.980 0 1 HKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(Br)cc(Cl)c2[nH]1 587952069 XQQYRTPVNWYXIB-NSHDSACASA-N 401.691 6.272 0 1 HKAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1cccc2ccccc12 653849328 ZBEAXZAFQYRZBS-YJIIWGRFSA-N 414.549 5.098 0 1 HKAF CC(C)n1c([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)nc2ccccc21 962630780 KQPAJTZKLVDYSP-WNCULLNHSA-N 422.576 5.454 0 1 HKAF COc1cccc([C@@]2(c3cc(C)cc(C)c3)NCCc3cc(-c4ccccc4)ccc32)c1 962663073 NHSVDSZBXVSNQJ-PMERELPUSA-N 419.568 6.417 0 1 HKAF Cc1ccc(Sc2ccc([C@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)o2)cc1 962761209 HAZDKHMPMOWBLU-XLIONFOSSA-N 417.452 5.474 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2c[nH]c(C(=O)NC3CCCCCC3)c2)N1 962944391 HTEPSNPTMGVTLG-QYBDOPJKSA-N 418.585 5.136 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCCC[C@H]2c2ccc(Br)cc2)N1 962953172 QAOTTXJAIDBEJF-ZHRMCQFGSA-N 423.398 6.408 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]21C=CC(c2ccccc2)(c2ccccc2)CC1 963116357 WNWINJGESBQKJZ-LITSAYRRSA-N 409.548 6.378 0 1 HKAF COc1ccc(/C=C/C(=O)Nc2ccc(/C=C/c3cc(OC)cc(OC)c3)cc2)cc1 1772603150 YPDUFEFTQKSCAX-DPTKGTOLSA-N 415.489 5.535 0 1 HKAF Cc1ccc2nc(-c3ccc(F)cc3)c(OCCCNc3ccc(F)c(C)n3)n2c1 1772604081 DSMSNNFVNLSNNI-UHFFFAOYSA-N 408.452 5.172 0 1 HKAF COc1ccc(/C=C\CC/C=C/C=C(\C)CC[C@@H](O)c2ccccc2OC)c(OC)c1 1772607180 RYTHIBHSUBAXPE-ITQWGCRJSA-N 422.565 6.522 0 1 HKAF COc1ccc2cc1Oc1cccc(c1)CC[C@@H](NCCc1ccc(F)cc1)CC2 1857611860 QAIOTHWSOMEMCO-HSZRJFAPSA-N 405.513 5.706 0 1 HKAF CC(=O)O[C@H]1CC=C(C)[C@H](CCC(C)=CCOc2ccc3oc(=O)ccc3c2)C1(C)C 2356384039 JKNIEMKYGWMWJI-UPVQGACJSA-N 424.537 5.822 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356542662 ZMYWGDOERFHVLQ-BOEMQWMTSA-N 416.646 5.250 0 1 HKAF COc1cc(O)ccc1[C@@H]1COc2cc(O)c(CC=C(C)CCC=C(C)C)cc2C1=O 2356639672 ZGULOOFGOGKGGG-QFIPXVFZSA-N 422.521 5.701 0 1 HKAF CN(Cc1ccc(Cl)cc1)[C@H](c1cc2ccccc2o1)c1nnnn1C(C)(C)C 95566821 NABSSTFZSHSQOE-HXUWFJFHSA-N 409.921 5.049 0 3 HKAF CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccsc2)cc1 4051397 WFLSHUMBLNILPH-JTHBVZDNSA-N 418.562 5.454 0 1 HKAF Cc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(Cl)cccc1Cl 5931348 OOSFJKGQOMRDCL-UHFFFAOYSA-N 403.259 6.645 0 1 HKAF O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2cccc3c(Cl)ccc1c23 6567589 NBUAIDOODMOMKK-UHFFFAOYSA-N 402.833 5.367 0 1 HKAF CCc1nc(-c2ccc(OC)cc2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1 13673412 UYXOULQSDIICBV-UHFFFAOYSA-N 415.518 5.695 0 1 HKAF CC(C)N(C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C)C(C)C 26385886 AEWWFKWBCCJQAS-WXPJTRHWSA-N 414.634 5.237 0 1 HKAF O=Cc1nn(-c2ccc(Cl)cc2)c2c1CCC[C@@H]2Cc1cccc2ccccc12 26575081 GVGLQNCEJITYDM-LJQANCHMSA-N 400.909 6.154 0 1 HKAF Cc1ccc(C)c(CO[C@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 27525360 GETCFTYJLDUJTR-WDYNHAJCSA-N 411.589 6.115 0 1 HKAF COc1ccccc1CC(=O)N1C[C@@H]2[C@@H]3CC[C@@](c4ccccc4)(c4ccccc43)[C@@H]2C1 29481374 SVWKCWHXECXTLK-QWMYHGHOSA-N 423.556 5.190 0 1 HKAF Clc1ccc([C@@H](Cc2c(Cl)cccc2Cl)Cn2ccnc2)c(Cl)c1 33493884 VHYNOIWRVJDVMR-LBPRGKRZSA-N 400.136 6.523 0 1 HKAF COc1ccc(CSc2nnc(-c3ccc4occc4c3)o2)cc1C(F)(F)F 40395298 GSCRXPVBGZXVSF-UHFFFAOYSA-N 406.385 5.803 0 1 HKAF COc1ccc(CC(C)(C)NC[C@@H](COc2cccc(Cl)c2Cl)OC)cc1 40422044 GLXMMOOGCALSDK-KRWDZBQOSA-N 412.357 5.007 0 1 HKAF CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC1CCN(Cc3cccc(OC(F)(F)F)c3)CC1)C2 40901323 XTBSOTFVSMTFAI-ZNLUXHQJSA-N 410.524 5.354 0 1 HKAF CCCOc1ccc(Oc2ccc(-c3ccc([C@H](C)NC(=O)OCC)cc3)cn2)cc1 45253734 MUOOVYXKSHJVBJ-SFHVURJKSA-N 420.509 6.137 0 1 HKAF Cn1c(-c2ccc(-c3cccnc3)cc2F)nnc1C1(c2ccc(Cl)cc2)CCC1 71315894 PRPPOLVIRDINKM-UHFFFAOYSA-N 418.903 5.807 0 1 HKAF CC1=Nc2ccc(Cl)cc2[C@@H](c2ccc(C(C)(C)C)cc2)N1CCN1CCCCC1 72125768 AVOCSWBCFNLNCB-RUZDIDTESA-N 424.032 6.578 0 1 HKAF C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(CCN3CCCCC3)C[C@@H]21 73158231 MPXJADGXPKIMSX-MBOZVWFJSA-N 419.535 5.270 0 1 HKAF O=C(Nc1cc(Cl)nc(Cl)c1)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1 73197356 JXJPHZOUDWRHCV-CQSZACIVSA-N 411.676 5.228 0 1 HKAF CCCC[C@@H](CC)CNc1nc(NC2CCCCC2)c2cc(OC)c(OC)cc2n1 82124958 HNEFUVWQQJFPGY-QGZVFWFLSA-N 414.594 6.020 0 1 HKAF CCCCC[C@H](O)/C=C/C(=C/CCCCCCCC(=O)O)CCc1ccccc1 85490980 RNIHHPVQKRWFSE-XJNIWNLCSA-N 400.603 6.858 0 1 HKAF biogenic,in-vitro COc1ccccc1[C@@H]1c2ccc3ccccc3c2Oc2nc3c(c(N)c21)CCCC3 95561382 GRXDSRZJHKMWBO-HSZRJFAPSA-N 408.501 5.990 0 1 HKAF CO[C@H]1C=C(O)[C@H]2[C@@]34CC[C@H]5[C@H](CCC[C@@H]5CCC(C)C)[C@]3(C)[C@](C)(CC4)[C@@]12O 103575502 LLAHCSQLIBTNQL-SAHVQCNHSA-N 402.619 5.873 0 1 HKAF biogenic,in-vitro O=C1Nc2ccccc2[C@@]12N(c1ccccc1)N=C(c1ccccc1)N2c1ccccc1 141264738 NDSSRBXYGILBAY-HHHXNRCGSA-N 416.484 5.180 0 1 HKAF C[C@H]1CCC[C@@H](NC(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 143237050 JUQNLOMOUWTRQC-PKOBYXMFSA-N 402.498 5.321 0 1 HKAF CC1=N[C@H](CC(C)C)C(=O)N(Cc2ccccc2)c2cc(C(=O)OC(C)(C)C)ccc21 473150932 NPBHUXQXVXSMFS-JOCHJYFZSA-N 420.553 5.412 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586916909 PIINUQWMBMOMLJ-CWTRNNRKSA-N 424.806 5.331 0 1 HKAF COc1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cc1OC 586974653 FUKJJNVPBHEFBJ-UHFFFAOYSA-N 402.075 5.316 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H](OCc1ccccc1)C3 586991512 KRVBKNMNXSHSHD-QGZVFWFLSA-N 407.469 5.226 0 1 HKAF FC(F)(F)c1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cc1Cl 587011900 DZEVOWSVBUHZGM-UHFFFAOYSA-N 422.657 5.999 0 1 HKAF Cc1cc(Cl)cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 587011907 SRHICAPAWKSJNI-UHFFFAOYSA-N 410.951 7.292 0 1 HKAF Fc1cc(Br)c2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 587048994 KEPHWGBDSUCUTD-RKDXNWHRSA-N 400.078 6.042 0 1 HKAF C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cncnc2[nH]1 587057960 YMOHJMCLINRWKW-LLVKDONJSA-N 401.253 5.592 0 1 HKAF O=C(CCCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1ccc(Cl)cn1 587082527 RLAPQRRTJKRFJY-UHFFFAOYSA-N 402.203 5.489 0 1 HKAF CC(C)CCOc1cc2nc(-c3cc(CO)ccc3F)[nH]c2cc1Br 587141217 ZTOFLDAWNHCGJI-UHFFFAOYSA-N 407.283 5.049 0 1 HKAF COc1ccc(-c2ccc(-c3nc4ccc(Br)cc4[nH]3)c(F)c2)c(F)c1 587148145 CELDXPNVQGFNTB-UHFFFAOYSA-N 415.237 5.946 0 1 HKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(OCc4ccccc4)cccc3[nH]2)cc1 587159344 ZGJLORALMQYEKX-UHFFFAOYSA-N 422.459 6.428 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2c2ccccn2)[C@@H]1c1ccc(F)cc1 587335391 HFVNJBOCGVIVDW-XRODADMRSA-N 403.453 5.382 0 1 HKAF Cc1cccc([C@]2(C(C)(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587359100 ZNIZWAIQSOMFQU-BVAGGSTKSA-N 404.481 6.140 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(Sc4ccc(Cl)cc4)nc1)[C@@H](C2)C3=O 587453227 QOHJSNICFRHYCU-JTSKRJEESA-N 409.894 5.384 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1cccc(Cl)c1C)CC2=O 587459994 KEBWSCYSJMHGOP-JOCHJYFZSA-N 401.890 5.059 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(F)(F)F)cc3)o1)CC2=O 587464661 VKRCHMWKEKLQFW-OAQYLSRUSA-N 416.395 6.330 0 1 HKAF Nc1sc2c(c1[C@@]1(c3ccncc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 587534610 CSLRLEDMYWMAQG-VWLOTQADSA-N 416.546 5.002 0 1 HKAF CCOc1ccc(Cl)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544037 DGRVNTZENXERSZ-NFBKMPQASA-N 410.853 5.321 0 1 HKAF Cc1[nH]c2c(Cl)cccc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552045 MOMFTOOXNNHGTK-AUSIDOKSSA-N 405.837 5.538 0 1 HKAF CCCc1ccc(OCC)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587594377 HCPREMOVUGYQRQ-DHLKQENFSA-N 404.462 5.446 0 1 HKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Oc1ccccc1 587599967 JPLGQPSUBYNKMZ-IGKIAQTJSA-N 424.452 6.196 0 1 HKAF Cc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587602347 JJGZAXBNYRSIJJ-NAKRPHOHSA-N 422.480 5.914 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(C1CCCCC1)C1CCCCC1 587604145 UMPDMURPYRXUGE-HSZRJFAPSA-N 406.522 6.253 0 1 HKAF Cc1ccccc1[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611695 JHQIVVVRWPFUOH-RDGATRHJSA-N 414.482 5.668 0 1 HKAF Cc1cc2c(cc1Cl)[C@]1(C=CO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587692670 BMFJOJPAMZOSBN-WLRWDXFRSA-N 408.698 5.234 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc3ccc(Cl)cc23)N1 587696435 KKTOBGMUCAVGNO-GIGQVBGESA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2C[C@@H]2c2ccccc2Cl)N1 587700720 WFMAYXFOAKESEG-GGEUHJLKSA-N 408.742 5.795 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2C(F)(F)F)N1 587710400 GDPQVPWZSZGPRX-VPTHRUTESA-N 406.192 5.370 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2OC(F)(F)F)N1 587717058 FGFVYWAYSIBKIH-BTDLBPIBSA-N 418.228 5.285 0 1 HKAF CC(C)[C@@]1(c2ccc(OCCF)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587722465 YWKJMQVEPJUGMV-SZNDQCEHSA-N 424.329 5.370 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3[nH]c4ccc(F)cc4c32)N1 587736806 XBVUFUALMHVNPD-FIKIJFGZSA-N 417.297 5.323 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3ccncc3)c2)N1 587780139 YTJUCLQUSLKIIM-FPTDNZKUSA-N 411.318 5.448 0 1 HKAF CCOC(=O)C[C@@]1(CCCC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587793424 FBBPPPYSMHYODK-VBKZILBWSA-N 414.359 5.097 0 1 HKAF COc1ccc2[nH]c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)c2c1 587801072 DBWRUYKMUPZXMR-FVINQWEUSA-N 403.295 5.010 0 1 HKAF COC(=O)CCCCCCCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587805048 GHZVNHPWVLGVQJ-RHSMWYFYSA-N 414.359 5.457 0 1 HKAF Cc1ccccc1-c1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587818586 IXKMTGSFVOGUQB-CMJOXMDJSA-N 410.330 6.187 0 1 HKAF Cc1ccc([C@@]2(C3CCCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587819155 LNGJNFUHHBVMDW-IVZQSRNASA-N 402.351 5.865 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SC3CCCC3)cc2)N1 587846059 SWQXJSLFSMBWOD-ASSNKEHSSA-N 420.391 6.247 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](C)c2nc3ccccc3s2)N1 587859703 YKUWEQWDHNACNT-JGRMJRGVSA-N 419.363 5.751 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1c(Cl)cccc1Cl 587860822 FVIARNXDWXGNOY-UHFFFAOYSA-N 415.198 5.573 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc2sc(-c3ccccc3)cc12 587872859 RYYJVCIQXRESBQ-UHFFFAOYSA-N 416.481 5.749 0 1 HKAF Oc1cc(-c2ccccc2Cl)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 587944716 GQELLZKDZWYCPP-QGZVFWFLSA-N 411.860 6.174 0 1 HKAF COc1ccc2c(c1)[C@](CC(=O)c1cccc(C)c1)(C(F)(F)F)N(C(C)C)CC2 962093991 VBDYDMPJSWJWSN-JOCHJYFZSA-N 405.460 5.301 0 1 HKAF Cc1c(F)ccc2c1[C@@](c1cccc(Oc3ccccc3)c1)(c1ncco1)NCC2 962373076 IJTNWSVIQPUXOJ-VWLOTQADSA-N 400.453 5.352 0 1 HKAF COc1cc2c(cc1OC)[C@H](c1nc(-c3ccc(Cl)cc3)cs1)N(C)[C@@H](C)C2 962626611 FXCVJCPNQPUCJW-YEJXKQKISA-N 414.958 5.447 0 1 HKAF Cc1cc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c(C)n1Cc1ccccn1 962716912 UBYNLLRQUTWIIF-CPJSRVTESA-N 421.585 5.140 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CCC2OCCCO2)(c2cccc(F)c2)N1 962948811 OPQRDPSOQFBJAG-DFBJGRDBSA-N 408.517 5.018 0 1 HKAF CC(C)(C)c1ccc([C@@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)s1 962950119 DYPHFDVAQOKHDU-LJQANCHMSA-N 409.517 5.805 0 1 HKAF Cc1cccc(C)c1[C@@H]1CCC[C@@]2(C1)c1ccsc1CCN2Cc1cccnc1 962997941 NCADZONGEGOQFA-ATIYNZHBSA-N 402.607 6.371 0 1 HKAF Cc1ccc(C)c([C@@]2(CCCCCC(=O)O)NCCc3c(Cl)cc(Cl)cc32)c1 963107350 MHXUYWLVNRQAIW-HSZRJFAPSA-N 420.380 6.035 0 1 HKAF C[C@]1(c2cccc(-c3cc(C(=O)O)ccc3F)c2)c2c(F)cccc2C[C@H]2CCCN21 963118914 ZYGFROHXLSBIRI-IBVKSMDESA-N 419.471 5.614 0 1 HKAF COc1cccc([C@@]2(c3ccc(Cl)c(F)c3)NCCc3cccc(Cl)c32)c1 963390411 JDFQARRPLKUWFK-QFIPXVFZSA-N 402.296 5.579 0 1 HKAF CCCOc1ccc([C@@H]2[C@H]3C(F)=CC=C(F)[C@H]3C(=O)N2c2ccn3ccnc3c2)cc1 1772644943 MTQAERATFNWYIK-YTFSRNRJSA-N 421.447 5.164 0 1 HKAF CC1=CC[C@]2(C(C)C)CC[C@@](C)(O2)[C@@H](OC(=O)Cc2ccccc2)CCC(C)=CCC1 1857743557 QCWPMFRYVOOFJC-KJYTXNCISA-N 424.625 6.962 0 1 HKAF COc1c(O)cc(-c2ccc(Br)cc2)cc1C1C2CC3CC(C2)CC1C3 2356283335 LTDSLZMGJUBRRH-UHFFFAOYSA-N 413.355 6.370 0 1 HKAF CC(C)=CCC[C@H](C)C=Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2 2356442546 GVSKSNRAUGVYDK-AOMKIAJQSA-N 408.494 5.906 0 1 HKAF COC1=C(C)C(=O)OC1=C[C@H](C)CCCC(C)=CCCC(C)=CCCc1ccoc1 2356443856 BIHGKHBYUFVWCB-OAQYLSRUSA-N 412.570 7.053 0 1 HKAF CCCCC[C@H](O)C=CCCCC[C@@H](CCN)[C@H](CCc1ccccc1)CC(=O)O 2356452401 OAKLHQCYJTXQSN-GVAUOCQISA-N 417.634 5.733 0 1 HKAF C[C@H]1CC[C@]2(NC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 2356460029 HOEJSFZVOUECLS-FFNVBYATSA-N 414.678 5.333 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC=C2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356472232 PAFFRGPILQJRRL-CRUCBFJPSA-N 414.718 7.881 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@H](OC(=O)C=C(C)C)[C@@]2(C)[C@H]1C 2356568294 JKNRDFAUDFWMHQ-OWDHKKECSA-N 414.542 5.625 0 1 HKAF CCCCC[C@@H](CCCC)[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O 2356681686 CABQQMKYOHAMAC-OFNKIYASSA-N 406.563 5.611 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CCC=C(C)CC[C@]1(C)C(C)=CCC[C@@H]1C 2356784529 OYUKOZCIOIIEID-BKMJKUGQSA-N 423.649 6.108 0 1 HKAF COc1cc(O)c(-c2ccc(OC)c3c(OC)cc(C)cc23)c2c1[C@@H](C)N[C@H](C)C2 13359107 XVHCBOXBWSMNHG-HUUCEWRRSA-N 407.510 5.142 0 1 HKAF biogenic COc1cc([C@@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CCNC1)C(C)(C)O2 13455666 AMZHBXGJIJPSJR-KRWDZBQOSA-N 409.545 5.879 0 1 HKAF CCc1nc2c(-c3ccc(Cl)cc3C(F)(F)F)nccc2n1[C@H](CC)C1CC1 13479644 NZCYMEFNWDGBRN-MRXNPFEDSA-N 407.867 6.694 0 1 HKAF C/C(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/CO)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 15156994 OOJOUQLXWXASLN-JZVMQKPUSA-N 410.598 5.751 0 1 HKAF endogenous,in-man O=C(O)c1cc(C2=C(c3cc(Cl)ccc3OCc3ccccc3)CCC2)ncn1 28819291 GJTRMQPDKIWAPN-UHFFFAOYSA-N 406.869 5.502 0 1 HKAF COc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)c(OC)c2ccccc12 28827110 NCGVQNMKHICNHF-UHFFFAOYSA-N 417.509 5.075 0 1 HKAF CCCCCn1cc(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)c2cc(Cl)ccc21 28864680 AOUFQVBTKHDZLB-JOCHJYFZSA-N 422.956 5.653 0 1 HKAF CN(c1nc2cccc(Cl)c2s1)C1CCN(CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1 28957186 DACVFSHONSZURQ-WMZOPIPTSA-N 416.034 5.843 0 1 HKAF O=C(Nc1cccc2cnccc12)N[C@H]1CCc2cc(O)ccc2[C@H]1Cc1ccccc1 28959359 UFYQTAFLSSXIDE-RSXGOPAZSA-N 423.516 5.403 0 1 HKAF CCN1CCC[C@H](Nc2nc(Nc3cc(Cl)cc(Cl)c3)c3ccccc3n2)C1 29204031 RAIYCYTYHNFUBO-INIZCTEOSA-N 416.356 5.576 0 1 HKAF CCCc1nc2c(C)ccnc2n1Cc1ccc(O[C@H](C(=O)O)C2CCCCC2)cc1 29337462 SEFHEEQEMQIRCI-QHCPKHFHSA-N 421.541 5.153 0 1 HKAF O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]2CCN(C3CCCCC3)C(=O)[C@@H]21 36383061 YHZAAIFMPJKHDD-ZTQAJYAQSA-N 421.368 5.305 0 1 HKAF CC(C)Oc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OC(C)C)c1 36475668 CXPKYGRXQJDDNM-UHFFFAOYSA-N 423.557 5.479 0 1 HKAF CCCn1c(-c2ccccc2)c(Cc2c(O)ccc3ccccc23)c(=O)[nH]c1=S 40952175 WAAXWBJNZJYZKU-UHFFFAOYSA-N 402.519 5.432 0 1 HKAF C[C@H](CN(C)C)C(=O)Nc1ccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)cc1 45190568 ADKXDNQPPWMGSU-MRXNPFEDSA-N 416.500 5.172 0 1 HKAF CC[C@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82184858 UBZRSIYBYRKNQP-HNNXBMFYSA-N 421.932 5.511 0 1 HKAF c1ccc(-c2nc(-c3ccc(OCCN4CCCCC4)cc3)c(-c3ccccc3)[nH]2)cc1 98084730 FOZQUUQJVIQCNT-UHFFFAOYSA-N 423.560 6.275 0 1 HKAF CC[C@H](C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1cccnc1 100703347 WUJMWYDETVIUIA-BLLLJJGKSA-N 410.543 5.318 0 1 HKAF CC[C@H](C)CCC[C@@](C)(CCC[C@@H](C)CCCC(C)C)[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 102191873 CYGHPBQDCJXIPT-NFKBJNHLSA-N 420.810 10.550 0 1 HKAF CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2ccccc2C)C2=C(O)CC(C)(C)CC2=N1 104004368 LWHBDGPBOLBRRN-QHCPKHFHSA-N 415.537 5.781 0 1 HKAF CCc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccc(F)cc2)cc1 104700641 FVFKPNCRACNDCI-HSZRJFAPSA-N 404.485 5.835 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C=C[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 135603658 BDCFUHIWJODVNG-VJSFXXLFSA-N 412.702 7.801 0 1 HKAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CN3CCCCC3)CC[C@@H]12 141885917 YNBRXWJXZUQHTC-FQUOBDBDSA-N 401.635 5.061 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](OC(=O)c3cccc4ccccc34)CCC[C@@]21C 169343674 OYNYQOZOUZITEE-BBVNWGEHSA-N 420.637 8.044 0 1 HKAF CC(C)CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 169711119 OXYSILQZQLVAHW-GRGXKFILSA-N 410.602 5.723 0 1 HKAF Cc1ccc(F)c(NC(=O)c2cccc(Oc3ccnc4cc(C(=O)O)sc34)c2)c1 219991307 OYUNKFWRNWXJAW-UHFFFAOYSA-N 422.437 5.487 0 1 HKAF CC(C)[S@](=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253632427 CPMYQFUFQVVJNP-CBNNQMJWSA-N 420.703 6.110 0 1 HKAF Cc1ccc(/C=C2\CN3[C@H]4CC[C@H]3[C@H](COC(=O)c3ccccc3)[C@H]2C4)cc1Cl 253697038 PNDOIIRQADCQOY-ARBRKRLHSA-N 407.941 5.372 0 1 HKAF CC(C)[C@@H](C)/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255205548 DGJHBFBQAQKVKB-AKYKTSNSSA-N 414.718 7.737 0 1 HKAF O=C(O)c1ccccc1/C=C/c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586878422 DAKPVESDJTZLEP-VMPITWQZSA-N 411.177 5.213 0 1 HKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(Cl)c(F)cc2[nH]1 586982584 MJMAKJPWAAXFBM-CYBMUJFWSA-N 409.730 6.490 0 1 HKAF C/C=C/COc1ccc(CCc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586993719 ZORFUWGXGDJPOS-NSCUHMNNSA-N 421.496 5.892 0 1 HKAF Cc1nc(C2CC2)sc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587012068 MVKZDRHJHCUSTP-UHFFFAOYSA-N 402.239 5.654 0 1 HKAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc(Br)c(F)cc2[nH]1 587012583 UGYURAPXBYMHLB-UHFFFAOYSA-N 402.292 5.487 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3cnc(Cl)s3)[nH]c12 587023941 XNBYOEKIIACALG-UHFFFAOYSA-N 422.819 5.611 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587035414 WDSPZYVBGIFCBV-AWEZNQCLSA-N 418.349 6.356 0 1 HKAF COc1cccc(-c2ccc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c(Cl)c2)c1 587052358 POJALBUDQCPSBX-UHFFFAOYSA-N 404.684 6.261 0 1 HKAF CC(=O)c1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 587070542 HQPPNJHNFUFTEO-SFHVURJKSA-N 413.905 5.227 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(Cl)ncc4[nH]3)c(Cl)cc12 587078501 SMZBTZPNMVHEBW-SNVBAGLBSA-N 418.280 5.464 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(F)c1 587145075 TXAZUAYCNGHAMP-UHFFFAOYSA-N 416.786 5.974 0 1 HKAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587150474 RJFVTIUPAHUJLH-JOCHJYFZSA-N 401.420 5.228 0 1 HKAF Cc1nc2nc(-c3ccc(F)cc3-c3ccc(C=O)cc3)[nH]c2cc1Br 587159011 VDBLCRBLWXTWPV-UHFFFAOYSA-N 410.246 5.314 0 1 HKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(Oc4ccccc4)ccc3[nH]2)cc1 587159317 XVIJBAHPICXONH-UHFFFAOYSA-N 408.432 6.641 0 1 HKAF O=C(c1cc2cc(Cl)ccc2s1)c1c(CO)oc2cc(Br)cnc12 587276454 PVQKSUVLWKASFW-UHFFFAOYSA-N 422.687 5.182 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCOc3c(Cl)cccc32)[C@H]1c1ccc(F)cc1 587331182 PCKDZRUNFVRKNN-NZQKXSOJSA-N 410.828 5.222 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3c2[nH]c2ccccc32)[C@@H]1c1ccc(F)cc1 587346862 NURCITAMRXFTHN-BVAGGSTKSA-N 413.448 5.603 0 1 HKAF Cc1cc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)oc2cc1C 587353885 OBZYSODLUWAPJA-AHWVRZQESA-N 416.448 6.169 0 1 HKAF COc1cccc(-c2cc(-c3cc(F)c(Cl)cc3F)nc3c2oc2ccccc23)c1 587359379 FZWMAZUSAFONIU-UHFFFAOYSA-N 421.830 7.255 0 1 HKAF CSc1ccc2c(c1)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587374734 LEXJRHVXVZQGTC-ISKFKSNPSA-N 406.478 5.454 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(CCCOc1ccc(Cl)c(C)c1)CC2=O 587459114 BSCLMCKFLMEVBE-QHCPKHFHSA-N 402.918 5.890 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCC)(c1ccc(OC(F)(F)F)cc1)CC2=O 587464432 QBKIREWNUPVPBW-OAQYLSRUSA-N 408.416 5.904 0 1 HKAF Cc1nc(-c2ccccc2)nc(S)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587534273 YGRSOIAQNICMDL-VWLOTQADSA-N 416.546 5.500 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2F)o1 587568066 KQSHGBYSXGANJD-URXFXBBRSA-N 402.377 5.494 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1ccc(-c2ccccc2)cc1 587603920 SIXRSOJUTFICAH-AHWVRZQESA-N 422.480 6.022 0 1 HKAF Cc1cc2c(cc1C)[C@@]1(CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607129 GGFQTJKBHMUVLM-WIOPSUGQSA-N 402.446 5.039 0 1 HKAF Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)s1 587611392 IHTVIICHRDBIKA-NFBKMPQASA-N 420.511 6.194 0 1 HKAF Cc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccncc2)cc1 587628737 YXVXHCIDARJOJO-UHFFFAOYSA-N 420.356 7.243 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(C(F)(F)F)cc3)c2c1 587641405 IPKAFLNYLUPLNG-NSHDSACASA-N 413.361 6.950 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(Cc3ccccc3)[C@H](C)C2)N1 587759616 HBRSYVOUBZTUHI-MCFFVMPBSA-N 417.366 5.002 0 1 HKAF COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC(C)C 587793855 NVJWUPCWIBGQOR-BUXKBTBVSA-N 408.311 5.008 0 1 HKAF CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)C 587800868 HSLQSDDWRHNDAZ-YEJXKQKISA-N 406.339 5.734 0 1 HKAF CCCCc1oc2ccccc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587831408 WNLXYXGCOKLYFP-MCMMXHMISA-N 416.334 6.301 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cncc(Br)c1 587863786 ILPPYPGNHPRZAZ-UHFFFAOYSA-N 412.209 5.114 0 1 HKAF Oc1cc(-c2ccc(Cl)cc2)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 587946809 YADNTVGOBBAPPB-LJQANCHMSA-N 411.860 6.174 0 1 HKAF COc1ccc(Sc2ccccc2[C@@H]2NCCc3cc(C)c(F)cc32)cc1OC 962298621 NFWHNLOISUIYQZ-DEOSSOPVSA-N 409.526 5.538 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(Cl)cc2)(c2cccc(C)c2)N1 962955473 MOBZGYXLMKHVBJ-LVXARBLLSA-N 400.953 6.346 0 1 HKAF COc1cc(C[C@@H]2CCC[C@]3(C2)N[C@@H]2CC[C@H]2c2ccc(OC)cc23)cc(OC)c1 962994493 KSWHKGKJJYHDHG-SAIAPNCQSA-N 407.554 5.190 0 1 HKAF COc1cccc2cc3c(nc12)[C@](Cc1ccccc1)([C@@H]1CCOC(C)(C)C1)NCC3 963049865 BGGGKFWWBJDRTH-AMGIVPHBSA-N 416.565 5.032 0 1 HKAF Cc1ccncc1[C@]1(c2cc(F)c(F)c(F)c2)c2c(F)cccc2C[C@@H]2CCCN21 963106420 NAHJSYKODCQPSF-BXKMTCNYSA-N 412.430 5.259 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCC(=O)OCC)c1ccccc1OCC 963225535 FEAMLISRMGSJGN-RXFWQSSRSA-N 409.570 5.329 0 1 HKAF CCCCCCOc1ccc(Oc2ccc(-c3noc([C@H](C)NC(C)=O)n3)cc2)cc1 1772578889 FIDIFLKUPJDOGQ-KRWDZBQOSA-N 423.513 5.685 0 1 HKAF Clc1ccc(CCNCc2c(-c3ccccc3)nc3sccn23)cc1Cl 1857543844 ZPWMKEUEFAPJMX-UHFFFAOYSA-N 402.350 5.702 0 1 HKAF Clc1cc(Cl)cc(-c2nc(Sc3nc(-c4cccs4)ns3)n[nH]2)c1 1857593351 DPNPYXFBFUOBSU-UHFFFAOYSA-N 412.352 5.510 0 1 HKAF C[C@H](NCc1ccccc1)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857621946 HNPFUHUXZIRHMG-NEBILRMLSA-N 407.642 6.105 0 1 HKAF CCCCC=CCCCCCCCCCCC[C@H]1CC(=O)c2c(O)ccc(O)c2O1 2356340872 ZNRVGESJHSZJBE-NRFANRHFSA-N 416.602 7.469 0 1 HKAF COc1c(CC=C(C)C)c(O)cc2c1[C@H]1Oc3c(ccc(O)c3CC=C(C)C)[C@@H]1CO2 2356399325 SHSISVOIQZYVQR-SIBVEZHUSA-N 422.521 5.734 0 1 HKAF CC=C(C)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CC[C@H](C)CC(=O)O)C(C)=CC[C@H]12 2356479677 ZIOOTRWFFVRLEB-DYMAAUEWSA-N 404.591 6.166 0 1 HKAF CC(C)[C@@H]1[C@H](C)[C@H]1C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356552677 YQSCMUYRADBXNP-DBLCROEXSA-N 414.718 7.571 0 1 HKAF CC1(C)C(=O)CC[C@@]2(C)[C@@H]3CC[C@H]4[C@@H]5[C@H]6CC[C@@]5(CC[C@]4(C)[C@@]3(C)CC[C@@H]12)C(=O)O6 2356585233 IMLYZVRFONVJHK-FDNJXGCPSA-N 412.614 5.946 0 1 HKAF c1ccc([C@@H]2CC[C@@H]3[C@H](O[C@@H]4CCC[C@H]5[C@@H]4CC[C@H]5c4ccccc4)CCC[C@@H]32)cc1 2356704680 DDVDENDLNFMFHM-LBNVPXNZSA-N 414.633 7.728 0 1 HKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@H]4C3=CC[C@H]12)COC5=O 2356802194 RYESOEGRPGIGRS-QKEASAQJSA-N 412.570 5.372 0 1 HKAF COc1ccc(-c2n(Cc3ccccc3)c3ccccc3[n+]2Cc2ccccc2)cc1 4797510 YWFDALCOUZEVSL-UHFFFAOYSA-N 405.521 5.701 0 3 HKAF COc1cccc(CN2CC[C@]2(C)C(=O)Nc2cccc(Oc3ccccc3)c2)c1F 61902567 HDJRSJUGIGKHEP-RUZDIDTESA-N 420.484 5.230 0 3 HKAF Cc1cccc(CNc2nc3cnc(-c4ccccc4Oc4ccccc4)cc3n2C)c1 82082864 BQLXADXVLZTOFI-UHFFFAOYSA-N 420.516 6.348 0 3 HKAF CCCC[C@H](CC)n1c(CC)nc2c1C(=O)N(C)CN2c1ccc(Cl)cc1Cl 13582791 YDPLDDJWUQCPNL-HNNXBMFYSA-N 423.388 6.075 0 1 HKAF CC(C)NC(=O)c1cc(/C=C/c2cccc(Cl)c2)ccc1-c1ccc(Cl)cc1 26979348 DTHZUUAYNDITRT-VOTSOKGWSA-N 410.344 6.969 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](C)C=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 27304264 FAGYSQSLIMHWHR-VQKJPCTMSA-N 413.690 7.300 0 1 HKAF CCn1cc(-c2ccc(Cl)c(Cl)c2)c([C@@H](c2ccc(C)cc2)n2ccnc2)c1 28468264 QXVLNLCAKWSGDD-HSZRJFAPSA-N 410.348 6.624 0 1 HKAF O[C@@H](CCc1ccccc1)[C@@H]1CCC[C@H]1OCCc1ccc(OC(F)(F)F)cc1 28571157 AATPBSGADBLKLD-FDFHNCONSA-N 408.460 5.307 0 1 HKAF O=C(O)c1ccc(-c2ccc3c(ccn3C(c3ccccc3)c3ccccc3)c2)cc1 29392066 GSPXPYUIYZHDMU-UHFFFAOYSA-N 403.481 6.644 0 1 HKAF Cc1cc(C)cc(C(=O)N2CC[C@H](NCc3ccccc3)C[C@H]2Cc2ccccc2)c1 29394521 PKPKUYSFERUYMH-RRPNLBNLSA-N 412.577 5.309 0 1 HKAF CCCOc1ccc(-c2ccc3c4c([nH]c3c2)-c2cc(O)c(C(=O)O)cc2CC4)cc1 34894059 IRLOQYRDNSOUOJ-UHFFFAOYSA-N 413.473 5.793 0 1 HKAF O=C(O)[C@@H]1c2ccccc2C(=O)N(CC2CC2)[C@H]1c1ccc(Oc2ccccc2)cc1 40413108 ORMHNVLLLLNTLA-RPWUZVMVSA-N 413.473 5.254 0 1 HKAF CC[C@H](Nc1cc(-c2[nH]c(SC)nc2-c2ccc(F)cc2)ccn1)c1ccccc1 40972309 UDJBRVAZYVZVMH-FQEVSTJZSA-N 418.541 6.563 0 1 HKAF CCCOc1ccc(Oc2ccc(-c3ccc([C@@H](C)NC(=O)CC)cc3)cn2)cc1 45258906 DPOSUPYMANQIIJ-GOSISDBHSA-N 404.510 5.917 0 1 HKAF CCCc1ccc(CNC[C@H]2CCC[C@@H](CNCc3ccc(CCC)cc3)C2)cc1 45392035 ZCZOWWVMWRDFQJ-HNRBIFIRSA-N 406.658 6.277 0 1 HKAF O=C(OCc1ccccc1)c1coc(-c2ccc(OCc3ccccc3)c(F)c2)n1 49066886 UFOLUFVPTIONLN-UHFFFAOYSA-N 403.409 5.417 0 1 HKAF CC(=O)O[C@H]1/C=C(/C)[C@H](OC(=O)c2ccc(O)cc2)C/C=C(\C)CCCC1(C)C 49088460 YUURXLYREVDXOP-KQCULEMDSA-N 400.515 5.342 0 1 HKAF CCOP(=O)(OCC)[C@H](NC(=S)N[C@@H](C)C1CCCCC1)c1ccccc1 59130112 BLADAJQBXMYKDO-LPHOPBHVSA-N 412.536 5.384 0 1 HKAF O=C(Nc1ccc(F)cc1)N1CCc2cnccc2[C@H]1c1ccc(C(F)(F)F)cc1 59185685 JWIJQYXDPMEFKN-HXUWFJFHSA-N 415.390 5.419 0 1 HKAF CC1=Nc2ccc(Cl)cc2[C@H](c2ccc(C(C)(C)C)cc2)N1CCN1CCCCC1 72125767 AVOCSWBCFNLNCB-VWLOTQADSA-N 424.032 6.578 0 1 HKAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccccc2F)C1 82151487 LHRUUZRTFDZZHN-MSOLQXFVSA-N 424.564 5.678 0 1 HKAF CC[C@@H](C)Cn1c(C(C)C)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 82189857 ONKDEYOFEFFURB-CQSZACIVSA-N 420.388 5.957 0 1 HKAF S=C(Sc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 95573738 TYIPBHWGQOOWCL-UHFFFAOYSA-N 404.604 5.471 0 1 HKAF CC(C)CN(C)Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 96174017 UBAAYDYRHVFAOA-UHFFFAOYSA-N 410.525 5.141 0 1 HKAF CCCCCN(CCCCC)C[C@@H](O)c1ccc(Br)c2ccccc12 100691704 GQBITSQBCLOZLI-JOCHJYFZSA-N 406.408 6.318 0 1 HKAF O=C(Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 101070898 GRVHWWSPQFJFDX-CZIWCDLHSA-N 412.383 5.236 0 1 HKAF CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C)cc2)C2=C(O)CC(C)(C)CC2=N1 103520851 UYLMFTBMHPZEQB-DEOSSOPVSA-N 415.533 6.183 0 1 HKAF CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 103873144 GJRVGQUNONLLDC-JOCHJYFZSA-N 406.913 6.095 0 1 HKAF CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccs2)C2=C(O)CC(C)(C)CC2=N1 104006891 DLTBJQDHUNJOMU-NRFANRHFSA-N 410.514 5.970 0 1 HKAF Clc1ccc(Sc2oc(C3CCOCC3)nc2-c2ccc3ncnn3c2)cc1 147041364 CSGLQDHPMHEZNX-UHFFFAOYSA-N 412.902 5.083 0 1 HKAF CC(C)CNC(=O)/C=C/C=C/CCCCCCCC/C=C\c1ccc2c(c1)OCO2 147859146 DRMOIHOBUYFDKF-HQJJEGTLSA-N 411.586 6.434 0 1 HKAF Oc1cc2cc(c1)Oc1c(O)cc(cc1O)CCCCCCC/C=C\CCCCC2 169355037 LWPGCSYZHNHGJW-IWQZZHSRSA-N 410.554 7.152 0 1 HKAF CC(C)c1ccccc1Nc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1 203005286 LJFFBSLZCKOLKL-UHFFFAOYSA-N 413.323 5.450 0 1 HKAF N#Cc1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cn1 204020336 GMCHQGJUBIJICJ-UHFFFAOYSA-N 414.472 5.238 0 1 HKAF COc1cc(-c2cnc(C)n2C)ccc1Nc1cc2cc(-c3ccncc3)ccc2cn1 207752895 SQMDALDNLZXQDB-UHFFFAOYSA-N 421.504 5.758 0 1 HKAF Cc1cc(-c2nc(-c3ccc(F)c(OCC4CC4)c3)n3c2CCO[C@H](C)C3)cc(C)n1 221755674 SLIVCTPEVFGRBS-QGZVFWFLSA-N 421.516 5.118 0 1 HKAF C[C@H]1CN=C([C@H](C)[C@@H]2CC[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@@]5(C)[C@@H]4CC[C@]23C)CC1=O 255268121 SSNUZXQLURLLKP-QNWUJLPBSA-N 411.630 5.612 0 1 HKAF O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cccc(NC3CCCC3)n2)c1 299832351 GAHMZSAIQOMSRU-UHFFFAOYSA-N 406.917 6.401 0 1 HKAF Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2F)oc1C 299875378 CVLUIZGUZHAYNA-YHZNOWJQSA-N 420.532 6.037 0 1 HKAF CC[C@H](C)Nc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccccc2F)n1 299879453 KSEJIORGIAFDGT-RPCPWPBFSA-N 424.564 5.294 0 1 HKAF CCCOc1cc2nc([C@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2cc1Br 586892946 YLEIOKOROYXJBM-ORAYPTAESA-N 403.320 5.260 0 1 HKAF Cc1c(-c2ccccc2Br)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586984650 NOGFPOBTLVLDDL-UHFFFAOYSA-N 416.274 5.890 0 1 HKAF COc1c(F)cc(F)cc1Cc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O 586995444 KKTDYYGOGSNQPZ-UHFFFAOYSA-N 401.412 5.632 0 1 HKAF Cc1nc(C2CC2)sc1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587011054 BALQCGSWAFCAFK-UHFFFAOYSA-N 406.349 5.670 0 1 HKAF COc1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cc1OC 587012475 YGUJHBYJTIRFIB-UHFFFAOYSA-N 422.531 6.347 0 1 HKAF Cc1ccnc2[nH]c(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)nc12 587013786 BIGQDCREMIQNAX-UHFFFAOYSA-N 421.526 5.328 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(C)cc5[nH]4)c23)cc1 587037455 FFAGKNQYIANPOS-UHFFFAOYSA-N 402.548 6.144 0 1 HKAF CC(C)(C)c1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2n1 587068284 OWEFDILYTSORHE-UHFFFAOYSA-N 417.900 6.022 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587069209 CZSJZRXUBFNMTC-RYYPSHIISA-N 415.324 5.960 0 1 HKAF COc1cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1F 587070344 HVFSBHAVVYSIQF-JXMROGBWSA-N 408.860 6.113 0 1 HKAF Cc1cc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145388 VHMKSETYATZEGK-UHFFFAOYSA-N 414.358 6.061 0 1 HKAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(Cl)cc(F)c3[nH]2)c1 587147379 OVNYXEBZQMOSMC-UHFFFAOYSA-N 414.795 5.535 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCc3cc(Cl)ccc3C2)[C@H]1c1ccc(F)cc1 587330065 MYAYGZXIQIKCRG-UPVQGACJSA-N 408.856 5.471 0 1 HKAF C[C@@]1(c2cc(F)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331525 HOLZDTWTFIWHNI-UNMCSNQZSA-N 400.808 5.598 0 1 HKAF C[C@@]1(c2ccc(N3CCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345502 PSSGFOMTEKANLP-AHWVRZQESA-N 417.480 5.406 0 1 HKAF Cc1cc2c([nH]1)CC(C)(C)C[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348351 RHASFFIADRZCDY-RCZVLFRGSA-N 405.469 5.395 0 1 HKAF CC[C@]1(c2ccc(OC)cc2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350172 JZWABEKCLMXRHX-ILBGXUMGSA-N 422.452 5.213 0 1 HKAF COC(=O)[C@H]1CCCCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587362641 LMXFUEJOMHXTLD-IBGZPJMESA-N 401.462 5.640 0 1 HKAF COc1cccc(-c2cc(-c3cccc(N4CCC4=O)c3)nc3c2oc2ccccc23)c1 587362838 IMJAXFDZVQOWMI-UHFFFAOYSA-N 420.468 6.060 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Nc3nc4ccccc4s3)cc1)O2 587412403 BUGXURPYPUSHKA-XMMPIXPASA-N 415.518 5.811 0 1 HKAF COc1cc2c3c(c1)O[C@](c1cccc(SC)c1)(c1ccc(F)cc1F)[C@@H](C2)C3=O 587425612 FYOUWFBRSCGUKR-YADARESESA-N 424.468 5.387 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(OCc4ccccc4)ccc4ccccc14)[C@@H](C2)C3=O 587445470 ZIKDDDTWZZTQIG-RBISFHTESA-N 422.480 5.916 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(OC(C)C)c(OC)c1)CC2=O 587462413 ZFKOEVGTKVIPEE-LJQANCHMSA-N 404.890 5.500 0 1 HKAF Cc1cc(CN2CCC[C@@H](C)C2)c(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587513189 IQKVHKLDNYNCAH-DNOBIOAJSA-N 417.593 6.121 0 1 HKAF CC(C)[C@@]1(c2cn(CC(=O)O)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587515367 LIVNAHCAESXBTG-AREMUKBSSA-N 417.505 5.121 0 1 HKAF COc1cc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)ccc1C=O 587527175 VNGCCZWCUAWTNX-SANMLTNESA-N 412.485 5.760 0 1 HKAF CC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541240 FCLLVNGDWKZGQP-KNQAVFIVSA-N 415.272 5.966 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1C(F)(F)F 587542720 AZTRRKIMSWXFIF-FXAWDEMLSA-N 420.770 5.767 0 1 HKAF CC(C)Oc1ccc(CC[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587593385 IZYGXHPZRCBKEW-GMAHTHKFSA-N 404.462 5.142 0 1 HKAF C[C@@]1(c2cc(Cl)sc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615528 XZRBIQUVFFIEOZ-BEFAXECRSA-N 407.274 5.638 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3cccc(F)c3)n2)N1 587733899 SSLVYRRKCNIXRS-YPMLDQLKSA-N 421.310 5.474 0 1 HKAF Cc1cc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(-n2cccn2)c1 587757659 HHRITUDVGXIUGJ-QKKBWIMNSA-N 414.322 5.014 0 1 HKAF C[C@H]1C[C@@H](C)CN([C@@H]2CCCC[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)C1 587757742 BJNMSLMRLWSAPW-OFQQUKTFSA-N 423.414 5.238 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(Cc3ccccc3)CC2)N1 587763915 APNOGNUVVDHPLC-AOMKIAJQSA-N 417.366 5.004 0 1 HKAF CC(C)CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587790263 FFIRABQXXFOSIF-LHSJRXKWSA-N 406.339 5.637 0 1 HKAF Cc1ccc(C)c(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587796020 PNBVUPWEJARTQE-RBZFPXEDSA-N 414.322 5.219 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)[C@@]1(CCC3)N[C@H](C)Cc2ccc(F)c(Br)c21 587805327 TUTTVBWTONUHME-DMZKTXOQSA-N 413.334 5.492 0 1 HKAF CC[C@@]1(c2ccc(-c3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587814911 WSLOOODQJVZQPL-GYCJOSAFSA-N 424.357 6.443 0 1 HKAF Cc1ccccc1-c1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587817995 GFNJSWWMEQELRB-IQMFZBJNSA-N 410.330 6.187 0 1 HKAF COc1ccc(-c2cccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c2C)c(OC)c1 587928428 CANUIHCJZOKROB-UHFFFAOYSA-N 416.374 5.779 0 1 HKAF Oc1cc(-c2ccccc2Cl)c(O)n1-c1cnc2cc(Br)ccc2c1 587942041 YQSKKYWNISRLDP-UHFFFAOYSA-N 415.674 5.520 0 1 HKAF Cc1c(F)ccc2c1[C@@](C(=O)c1ccc(Cl)cc1)(c1ccc(Cl)cc1)NCC2 962304294 ZKPYSZXNHUHDES-HSZRJFAPSA-N 414.307 5.713 0 1 HKAF CCc1ccc([C@@]2(c3cc(C)ccn3)NCCc3cc(-c4ccccc4)ccc32)cc1 962664419 GNYZXUOJPBFUFK-GDLZYMKVSA-N 404.557 6.057 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2ccc(F)c(F)c2Br)N1 962945642 JIFJWIZZXMNOQL-BIBXISHDSA-N 405.286 5.396 0 1 HKAF COc1cccc2cc3c(nc12)[C@@H](c1ccc2cccc(C(F)(F)F)c2n1)NCC3 963047360 OHDJUQBCCMEEFB-JOCHJYFZSA-N 409.411 5.046 0 1 HKAF O=C(N(c1ccccc1)c1ccccc1)N1CCc2ccccc2[C@@H]1c1ccccc1 1772574886 CWCWPHODRGZFMY-MHZLTWQESA-N 404.513 6.592 0 1 HKAF O=C(CN1CCC[C@H](c2nc3ccc(F)cc3[nH]2)C1)c1cc(Cl)cc(Cl)c1 1772589708 LURAPHTZFYQXNX-LBPRGKRZSA-N 406.288 5.071 0 1 HKAF COc1ccc(CNC(=O)c2ccc(F)c(OC3CCCC3)c2)c(C(F)(F)F)c1 1772614169 ITKBTQGYZFSJJY-UHFFFAOYSA-N 411.395 5.105 0 1 HKAF Cc1ccc(-c2ccc3ncc4oc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1 1857553669 BSMZGMHSPCUVAP-UHFFFAOYSA-N 421.378 5.521 0 1 HKAF Oc1noc2c(F)c(Oc3ccc(CN4CCC[C@@H]4c4cccc(F)c4)cc3)ccc12 1911572186 PTFVUOOTTZAQAI-HXUWFJFHSA-N 422.431 5.941 0 1 HKAF CCCOc1ccc2nc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)sc2c1 1911577714 YIKYZCBJLHVTIF-UHFFFAOYSA-N 416.502 5.568 0 1 HKAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]5(CC[C@@H](Cc6ccccc6)C5)[C@@]3(C)[C@@](C)(C4)[C@@]21O 2356369101 CFYWJOPGYQODMB-GYLDXBNJSA-N 408.582 5.290 0 1 HKAF COc1cc(C)c2c(c1C)CC[C@@](C)(CCC=C(C)CCC=C(C)CCC=C(C)C)O2 2356487049 MTGHTKWQBDGLJZ-GDLZYMKVSA-N 424.669 8.595 0 1 HKAF C[C@@H]1[C@H](O)CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]3CC(C)(C)CC[C@@]3(C)CC[C@]21C 2356524754 NCQKCGSHPYPBLF-LCVGCOCSSA-N 414.718 7.859 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 2356580745 XPRWWANUPMYKMF-LRZQQTFDSA-N 410.686 7.865 0 1 HKAF CC(C)=CCCC=C(C)COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1 2356628013 DXMQUDDSYNTIBT-UHFFFAOYSA-N 406.478 5.943 0 1 HKAF CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl 4055520 KXOFWOQTXFTHEZ-PKOBYXMFSA-N 409.288 5.141 0 1 HKAF COc1ccc(Nc2ncc(C(=O)N3CCCc4ccccc43)c3ccccc23)cc1 4734257 NEVDHOOMDTXZCK-UHFFFAOYSA-N 409.489 5.580 0 1 HKAF Clc1ccc2c(NCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1 13472675 KFFMRYQMDWYABB-UHFFFAOYSA-N 423.988 5.798 0 1 HKAF O=C(Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12)c1ccccc1 13489804 IHBHLIHHUAHVAF-UHFFFAOYSA-N 413.317 5.404 0 1 HKAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2F)c1C 13782445 ZBXVVTFXRMGBEE-UHFFFAOYSA-N 402.491 5.097 0 1 HKAF Cc1cccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c1 13864340 QIWQVAGOJGFUOL-UHFFFAOYSA-N 414.317 5.523 0 1 HKAF CCCCCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc21 28864423 WFARREJAFLTZPO-UHFFFAOYSA-N 406.570 5.138 0 1 HKAF C[C@@H](O)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CC[C@@H]1CC(=O)O 29054402 IOOHYRULMOUFEG-VXGBXAGGSA-N 419.905 5.600 0 1 HKAF C[C@](O)(CSc1ccc(F)cc1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1 34801505 CRPQTBRTHURKII-KRWDZBQOSA-N 403.828 5.979 0 1 HKAF CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3CN3CCCC3)cc2)cc1 38149561 UIIFGXYZMQBZFR-UHFFFAOYSA-N 413.565 5.894 0 1 HKAF CN(C)CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc2ccccc2c1 45286211 LPPCDEUWAMBLSG-MHZLTWQESA-N 408.545 5.930 0 1 HKAF Cc1c(-c2cn(C(C)C)cn2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1 45320400 NKBQZUQMWOWSFW-UHFFFAOYSA-N 411.336 6.599 0 1 HKAF in-vitro Cc1cccc(C)c1NN1C(=O)O[C@@](C)(c2ccc(Oc3ccccc3)cc2)C1=O 72106172 QXHDBPNJGOOROZ-DEOSSOPVSA-N 402.450 5.317 0 1 HKAF O=C(OCC1CCN(CCCc2ccccc2)CC1)c1ccccc1-c1ccccc1 73197244 JORNXOKVRJXWNX-UHFFFAOYSA-N 413.561 5.855 0 1 HKAF CCC(CC)[C@H](C)C1(C(=O)Nc2ccccc2SC(=O)C(C)C)CCCCC1 95568716 AMHOWMHYRSJEFV-SFHVURJKSA-N 403.632 6.923 0 1 HKAF CN1CCC(COCc2cc(C(F)(F)F)cc(Cl)n2)(c2ccccc2F)CC1 95589284 YYRRLEKGQAPWHL-UHFFFAOYSA-N 416.846 5.073 0 1 HKAF O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccccc1)c1ccccc1 100705598 TZIOYLAORORDIE-UHFFFAOYSA-N 411.486 5.206 0 1 HKAF COc1ccc(/C=C2\CCCC3=C2N=C2SC=CN2[C@H]3c2ccc(OC)cc2)cc1 102897093 JQRSYAARZMLUFG-LULQDDRCSA-N 416.546 6.156 0 1 HKAF CCCCN(CCCC)C(=O)c1nc(C)c(C)nc1C(=O)Nc1cc(C)ccc1C 103185365 MUWPRGQIIKDDBP-UHFFFAOYSA-N 410.562 5.005 0 1 HKAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cnccn3)cc(-c3cncs3)c2)cc1 113752539 DRQAXANIBUPCQS-INIZCTEOSA-N 400.507 5.067 0 1 HKAF CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)Cc1cccc2ccccc12)C1CC1 139056868 LYXZOUZVKCOQFN-QHCPKHFHSA-N 420.578 5.091 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccccc1Oc1ccccc1 167159288 IVRJUTHGGRGNOW-NRFANRHFSA-N 417.505 5.750 0 1 HKAF COc1cc(N[C@H](C)CCCNC(=O)/C=C/c2ccc(Cl)cc2)c2ncccc2c1 169327381 JCXQABMFCLRWKE-XLNAKTSKSA-N 423.944 5.307 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(Cl)cc2)cc1)C3 195083943 VPTOTYACZAFVTR-LALRBXKLSA-N 421.968 5.684 0 1 HKAF COC(=O)[C@H]1[C@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2cccc(Cl)c2)cc1)C3 261096943 FNNDPKKFONPQIL-YIUXWCFXSA-N 421.968 5.684 0 1 HKAF O=C(CSc1ccc(C(=O)Nc2ccc(F)cc2)cn1)c1ccc2sccc2c1 261167828 SGSJWIIMXPUUEB-UHFFFAOYSA-N 422.506 5.663 0 1 HKAF S=C1[C@H](CCCOCc2ccccc2)[C@@H]2CCC[C@]23C[C@]2(CCN13)OCCS2 263599882 JJZMKOGCLSJYJV-DWQJTFDBSA-N 417.640 5.035 0 1 HKAF Cc1cc(F)ccc1-c1c(-c2ccc(/C=C/C(=O)O)cc2)c2ccc(O)cc2oc1=O 299852358 QVBLSFKMAWYOJB-NYYWCZLTSA-N 416.404 5.378 0 1 HKAF Cc1cc(S(C)(=O)=O)ccc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2c1 299869212 UGEUPBVCAQFHIL-UHFFFAOYSA-N 414.889 5.401 0 1 HKAF CC(=O)c1ccc(-c2cccc(-c3nc4c(F)cnc(Br)c4[nH]3)c2)cc1 586879917 LIWTZSBGXBULQY-UHFFFAOYSA-N 410.246 5.396 0 1 HKAF CCc1oc2ccccc2c1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 586903272 IAEAMOZZPNGUCB-UHFFFAOYSA-N 413.315 6.336 0 1 HKAF Cc1oc(-c2ccccc2)nc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988655 UYBNUAXYQWFOGK-UHFFFAOYSA-N 404.425 5.782 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4c(C(F)(F)F)cc(F)cc4[nH]3)cc2)n1 587020870 ZKGRNJADBCUYRG-UHFFFAOYSA-N 423.460 6.445 0 1 HKAF Fc1ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c1Br 587063675 YNUSFKFAZSFKLF-UHFFFAOYSA-N 415.693 6.376 0 1 HKAF Cc1ccc2c3c(cc(-c4cc5c(ccc6ccccc65)o4)nc13)-c1ccccc1C2=O 587101308 LXBOYESMIZKWTD-UHFFFAOYSA-N 411.460 7.321 0 1 HKAF CN(C)/C=C(\c1ccc(Cl)cc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104866 XYLOOZOMVJKCBW-PXLXIMEGSA-N 410.904 6.050 0 1 HKAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C)c(C)cc4[nH]3)nc2n1 587114513 CYFDDFKUEJZFOP-UHFFFAOYSA-N 419.476 5.646 0 1 HKAF CC(C)Oc1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1 587116107 NTWFOTIGKWCLPT-UHFFFAOYSA-N 400.198 5.193 0 1 HKAF CNc1cccc(-c2cccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2)c1 587234408 FLZOOKVPQPGAPK-UHFFFAOYSA-N 413.706 5.750 0 1 HKAF Cc1ccc2c(c1)[C@@]1(CCS2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587371420 DNVMXYCEZVPEJF-ISKFKSNPSA-N 406.478 5.590 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C(=O)O)c(Cl)c3)cc1)O2 587374712 JDSDWEUVSSZECQ-OAQYLSRUSA-N 407.853 5.302 0 1 HKAF COCOc1ccccc1[C@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 587378739 PKQDABFVYXUGRB-XMMPIXPASA-N 423.896 5.122 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1nc(-c4ccc(Cl)c(Cl)c4)cs1)[C@@H](C2)C3=O 587452021 QAHFKUVEUFSQFY-BUXKBTBVSA-N 418.301 5.614 0 1 HKAF O=C1C[C@@]2(C[C@H](c3ccc(F)cc3)Nc3ccccc32)Oc2c1ccc1c2CCCC1 587502172 BSDDGVLAVFIGMH-SHQCIBLASA-N 413.492 6.122 0 1 HKAF O=C1C[C@]2(CCC[C@H]2c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587503962 DJZWURDMPKOLPC-REWPJTCUSA-N 400.440 6.256 0 1 HKAF O=C1C[C@@H](c2cn(-c3ccccc3)nc2-c2ccncc2)Oc2c1ccc1c2CCCC1 587513554 CIHDAPHWJPNLHI-VWLOTQADSA-N 421.500 5.520 0 1 HKAF COc1ccccc1/C=C1\N2CCC(CC2)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526386 PLVIVVZSMHEJDE-BIWBSIMWSA-N 415.533 5.045 0 1 HKAF CCCCCc1ccc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587529215 LOIPXKKKCFFEAY-MHZLTWQESA-N 420.549 6.024 0 1 HKAF COc1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587542355 ITPMURNPEBMEMA-OFNKIYASSA-N 410.853 5.017 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(C(F)(F)F)ccc12 587545707 HEFVJIOQZPGVGB-SIKLNZKXSA-N 412.363 5.214 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(Cl)cc1Cl 587557174 MFZMSQKXPNAPML-YLJYHZDGSA-N 405.208 5.541 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2cccc(F)c2)n1 587572999 UIPBAZCVXLZNCX-SIKLNZKXSA-N 419.433 5.358 0 1 HKAF Cc1cc(C)cc([C@@]2(c3cccnc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587586952 MFBMXNKWWMGTRW-RPLLCQBOSA-N 423.468 5.309 0 1 HKAF CC(C)=CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587597816 RYIYYBZDVRKYNF-RDGATRHJSA-N 402.446 5.440 0 1 HKAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cc1ccc(C(F)(F)F)cc1 587622229 GBCZYDFDHBJGHD-UHFFFAOYSA-N 408.221 5.725 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1cc(Cl)ccc1O 587625463 ITTUQDRZYXVVTC-UHFFFAOYSA-N 421.724 6.104 0 1 HKAF O=C(c1cccc(OC(F)F)c1)c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587629222 YUFRBGWIDDHJQC-UHFFFAOYSA-N 407.697 5.812 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/C=C/c2ccc(Cl)cc2)N1 587694070 GDIYHASLKGOLBO-TVMTVWKQSA-N 406.726 6.087 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3nc(Cl)ccc32)N1 587705751 OMAKLESXLQNAET-BIBXISHDSA-N 423.757 5.387 0 1 HKAF CC(=O)c1cccc(/C=C/[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F 587725609 FHWVTEKPPYFXAH-YAVQKDKNSA-N 406.270 5.219 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2OCC2CC2)N1 587730118 IQBUYBLZRFJQOO-GIPWTMENSA-N 408.286 5.140 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2-c2ccc(F)cc2)N1 587734553 NZXBKAKNWSJNNJ-GTJPDFRWSA-N 415.281 5.413 0 1 HKAF Cc1cccc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587755337 OUTPAFXZWYLBTA-JLCFBVMHSA-N 413.334 5.619 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2sccc2Br)N1 587847415 XNQZOUMUOROMGT-ANRSDYALSA-N 419.157 5.210 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccsc3)c2)N1 587853297 MJBBRYVJKRHVSS-YUNKPMOVSA-N 402.332 5.940 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CCO[C@@H]1C(C)(C)C 587859537 YTIKEMSAOCOYEB-UGSOOPFHSA-N 411.329 5.347 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3cccc4ccccc34)n2)cc1 587922883 HFZPPAUXKSWCQD-UHFFFAOYSA-N 420.512 7.918 0 1 HKAF COc1ccc2c(c1OC)[C@H](c1c(OC(C)C)ccc3ccccc13)N(C)[C@H](C)C2 962626751 GDDKJUSAAIOHCZ-CRICUBBOSA-N 405.538 5.610 0 1 HKAF COc1ccc2c(c1OC)[C@@H](c1cc3cc(Cl)ccc3nc1Cl)N(C)[C@@H](C)C2 962639204 VITABROWUMYDSY-FKIZINRSSA-N 417.336 5.525 0 1 HKAF Brc1ccc2c(c1)[C@]1(CCCN2)NCCc2cc(-c3ccccc3)ccc21 962662911 CYRHSWXFMQUUAK-XMMPIXPASA-N 419.366 5.711 0 1 HKAF Cc1ccc2nc([C@H]3NCC4(CCOCC4)c4cc(C(F)(F)F)ccc43)ccc2c1 962964257 ZQANDYZGMDRMAV-QFIPXVFZSA-N 412.455 5.303 0 1 HKAF CCC(C)(C)[C@]1(c2ccc(Cl)c(F)c2)NCCc2cc3cccc(OC)c3nc21 963050758 CWQGAYAGHLQHNE-XMMPIXPASA-N 412.936 5.861 0 1 HKAF COc1ccc(Nc2ncnc3c2[C@@H](c2cccc(Cl)c2)c2c(n[nH]c2C)O3)cc1 1772609128 NBWYNKDCDSJBCJ-SFHVURJKSA-N 419.872 5.200 0 1 HKAF Oc1ccc(-c2cc(-c3ccccc3C(F)(F)F)nc3c2Cc2cc(O)ccc2-3)cc1 1857544275 RXMDUOYTJMFFED-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF Cc1cc(N(c2nccc3occc23)C2CCCC2)ccc1-c1c(C)ncc2nccn12 1857602087 RQILOYKDXOGAOZ-UHFFFAOYSA-N 423.520 6.235 0 1 HKAF CC(C)[C@H]1COC(=O)N1c1cncc(N[C@@H](C)c2ccc(-c3ccccc3)cc2)n1 1857755148 OEBVUXIGKHAZKD-LAUBAEHRSA-N 402.498 5.298 0 1 HKAF O[C@H](CNCc1ccc(-c2ccccc2)cc1)COc1cccc2[nH]c3ccccc3c12 1911578548 MZJRCUVNSQPNBZ-HSZRJFAPSA-N 422.528 5.518 0 1 HKAF CC(C)CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@]34C=C[C@](C)(CC[C@H]32)C4)[C@]1(C)C(=O)O 2356384032 JGWDLHUEZNKLAX-ZSLIZDKLSA-N 402.575 5.608 0 1 HKAF CC1(C)c2ccc3c(c2CC[C@H]1O)CC[C@]1(C)[C@@H]2C[C@@](C)(CO)CC[C@]2(C)CC[C@]31C 2356427185 RLAPPWNRKMRMFF-FOWGRLFRSA-N 424.669 6.080 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356440279 VETZNBAGZJYCQT-MQECYHSKSA-N 414.674 7.102 0 1 HKAF CO[C@H]1C(O)=Cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2[C@@H]1CC=C(C)C 2356751513 NMUIQJQZSIHEJJ-IZHWHUGBSA-N 412.482 5.080 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 2356801702 RQWFQYUNTZZGLZ-KKRQCTAQSA-N 416.690 6.606 0 1 HKAF O=C(Nc1ccccc1Cl)c1cc([C@H]2CCCCN2C(=O)C2CCCCC2)on1 61895747 NKEOYANFVZARRB-LJQANCHMSA-N 415.921 5.214 0 3 HKAF O=C1Nc2ccccc2N(C(=O)c2ccc3ccccc3c2)[C@H]1c1nc2ccccc2[nH]1 95566992 UOOAUTSKRJVNCZ-QHCPKHFHSA-N 418.456 5.056 0 3 HKAF CC(C)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(-c2ccccc2)cc1 2483095 NBQMVUJLMZAQMO-UHFFFAOYSA-N 414.480 6.201 0 1 HKAF C[C@H]1[C@@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CN2 8214719 KWVISVAMQJWJSZ-WJTZZWTLSA-N 413.646 5.287 0 1 HKAF COc1cccc(C2CCC(N3CCN(c4cccc5ccccc45)CC3)CC2)c1 13470724 RBBSEEBITXSZAO-UHFFFAOYSA-N 400.566 5.697 0 1 HKAF COc1cc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)cc(C(F)(F)F)c1 13489743 HKISSDWCMYSFSO-UHFFFAOYSA-N 411.387 5.100 0 1 HKAF Cn1cc(-c2ccc(C(=O)O)cc2)c2c1-c1cc3c(cc1CC2)C(C)(C)CCC3(C)C 13742713 JGRMLKMEVPQCNJ-UHFFFAOYSA-N 413.561 6.505 0 1 HKAF O=C1NCc2nc(Sc3ccc(F)cc3)ccc2N1c1c(F)cccc1Cl 27315175 MRZTWZUXAIENFS-UHFFFAOYSA-N 403.841 5.526 0 1 HKAF O=C1OC[C@H]2[C@@H]1Cc1c(ccc(F)c1F)[C@@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1 28823240 JQCNPJDGMIEXGM-WAMAQVDTSA-N 421.418 5.308 0 1 HKAF CCO[C@@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC 28956408 ZMRNNGNFCBYSLG-FYYLOGMGSA-N 418.541 5.212 0 1 HKAF Cc1cc(C)cc(OCC(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)c1 29048710 NIOUBURJAWRLLO-UHFFFAOYSA-N 400.478 5.746 0 1 HKAF COP(=O)(OC)O[C@H](C(C)(C)Cc1ccc(Cl)cc1)P(=O)(OC)OC 29222387 PEIBBZSANJMEQC-AWEZNQCLSA-N 414.759 5.138 0 1 HKAF Brc1cccc(Sc2ncccc2OCCCc2ccncc2)c1 34023707 AXQKEDLOTKRDKL-UHFFFAOYSA-N 401.329 5.402 0 1 HKAF CN1Cc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2CC1=O 40412438 BVUPAXXDXVQPHK-UHFFFAOYSA-N 402.494 5.026 0 1 HKAF CCCCc1cc(O)c2c(c1)OC(C)(C)C=C2C1=CCN(Cc2ccccc2)CC1 45201091 PVCRRBNNWGTSRA-UHFFFAOYSA-N 403.566 6.122 0 1 HKAF CC(=O)c1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)c1 45287040 MRAZONMUKFSBSR-UHFFFAOYSA-N 420.582 5.016 0 1 HKAF Cc1cnc(C(=O)Nc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)cn1 45324804 JSGIFTBACFPOIO-UHFFFAOYSA-N 411.490 5.309 0 1 HKAF COc1cccc2c([C@@H](C)CN3CC=C(c4c[nH]c5ccc(F)cc45)CC3)coc12 45358560 BOFGPBNQTFGHGF-INIZCTEOSA-N 404.485 5.955 0 1 HKAF CC1(C)CCCC(C)(C)N1CCCCCCCCCN1C(C)(C)CCCC1(C)C 45371798 BABKMDZJEDULJD-UHFFFAOYSA-N 406.743 7.803 0 1 HKAF CSc1ccc(-n2c(-c3ccccc3)nc3ccc(Br)cc3c2=O)cc1 72107000 ORMJKYFYTFBVAK-UHFFFAOYSA-N 423.335 5.537 0 1 HKAF COc1ccccc1Oc1cncc(NCCc2ccc(Oc3ccccc3)cc2)n1 82068680 KVVMSWNMXSYIRX-UHFFFAOYSA-N 413.477 5.724 0 1 HKAF CC[C@H](C)Cn1c(C[C@@H](C)c2ccccc2)nc2c(NCc3cccs3)ncnc21 82178867 UFACMQZYMURERQ-ZWKOTPCHSA-N 419.598 5.892 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccsc2)nc2c(NCCc3cccc(F)c3)ncnc21 82179574 KXFMROGWLWZXPB-OAHLLOKOSA-N 409.534 5.395 0 1 HKAF Cc1ccc(-c2ccc(C(=O)Nc3ccc4cc(CN5CCCC5)cnc4c3)cn2)cc1 84651839 KLVCXDDJHLESAO-UHFFFAOYSA-N 422.532 5.453 0 1 HKAF CC(=O)OC[C@H](O)COC(=O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C 85641931 YRLGSSSUMSWYFS-GEZSXCAASA-N 420.590 5.599 0 1 HKAF CO[C@H]1Cc2c(-c3ccccc3)csc2C2(CCN(Cc3ccccc3)CC2)O1 95555803 UUXBZLRYIRHKPX-HSZRJFAPSA-N 405.563 5.452 0 1 HKAF Cc1c(-c2nnc(-c3ccccc3)o2)sc2ncnc(Nc3ccc(F)cc3F)c12 95572378 PXXBODPQQGUDHB-UHFFFAOYSA-N 421.432 5.739 0 1 HKAF CCc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC2CCCC2)cc1 100703834 XWZCVRFLQDMYNB-HSZRJFAPSA-N 407.554 6.179 0 1 HKAF CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc(OC)cc1 100703882 ULDLFKTXHBSADK-INIZCTEOSA-N 411.527 5.153 0 1 HKAF CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@H](CC=C(C)C)C(=O)[C@H]1C(=O)C(C)C 100779552 AXAAMKAGJNUYDB-ANNHOSHMSA-N 400.647 7.498 0 1 HKAF endogenous,in-man COC(=O)[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(-c4ccc(SC)cc4)cc1)CN32 101038431 VBCBQYQOZQQZBS-QZLDSUPHSA-N 405.563 5.115 0 1 HKAF FC(F)(F)c1cccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c1 114754330 QEEBNTVAPQWKOQ-UHFFFAOYSA-N 400.444 6.590 0 1 HKAF CC[C@@H](C)CCCCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O 140337981 QIAIIBVHTBCSOC-IOHDWUOGSA-N 420.722 9.641 0 1 HKAF Cc1ccc2c(-c3cccc4cccnc34)c([C@H](OC(C)(C)C)C(=O)O)c(C)nc2c1 146679108 IJKBGDQJCDGTNS-DEOSSOPVSA-N 414.505 6.008 0 1 HKAF Cc1cn(-c2cc3c(c(-c4ccc(F)cc4)c2)C(=O)NCC3)c2c1C(=O)CC(C)(C)C2 169308168 BASLFXHBMHSLDF-UHFFFAOYSA-N 416.496 5.033 0 1 HKAF C[C@H]1CC[C@]2(C)[C@@H](C)CC[C@@H](O)[C@@]23CCC2=C(c4c[nH]c5cccc(c45)C2(C)C)[C@@H]13 238748159 CGVQZHKJDJWLLW-STKUGLPKSA-N 403.610 6.836 0 1 HKAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=S)CC[C@]4(C)[C@H]3CC[C@]12C 253635915 UYQBCVKVDBCQNJ-QMDPGFMLSA-N 404.664 5.135 0 1 HKAF CN(C)Cc1cc([C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c(O)c([C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c1 299882053 PCMPQMUZQDZRPE-ZXOJXOLHSA-N 423.685 7.313 0 1 HKAF Brc1ccc(Br)c2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc12 586884547 QTHOLCPDERBQBQ-YBIKONCISA-N 410.153 5.556 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@H]4C[C@]45CCc4ccccc45)[nH]c3c2)cc1 586889869 NUGURMOMZAVRQC-RLWLMLJZSA-N 410.473 5.513 0 1 HKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(F)c(F)c(F)c2[nH]1 586981387 AUDHKZRRTLFIMR-LBPRGKRZSA-N 411.265 6.115 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(ccc3ncccc32)[nH]1 586981653 RXPHGPQNPQYMBL-UHFFFAOYSA-N 403.283 5.640 0 1 HKAF c1csc(SCc2c(-c3nc4cnc5ccccc5c4[nH]3)oc3ccccc23)c1 587010793 GJORZNLAXPXRHE-UHFFFAOYSA-N 413.527 6.878 0 1 HKAF Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 587051877 UWONFWDKJWRWQZ-DTWKUNHWSA-N 416.533 6.557 0 1 HKAF Cc1ccc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1 587055334 OUVSLIRVUBMDDC-AWEZNQCLSA-N 413.304 7.110 0 1 HKAF N[C@H](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1ccccc1Cl 587055502 DLQKWJXAYNRSAK-GFCCVEGCSA-N 407.745 5.496 0 1 HKAF COC(=O)c1ccnc2[nH]c([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc12 587069859 FRJOXKQBAHYUHR-VYEILGPVSA-N 416.308 5.417 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc3c(c2[nH]1)CCCC3 587072907 ZXOMYYYRUQHPJW-NSUAACFLSA-N 411.376 7.115 0 1 HKAF Fc1c(F)c(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c(F)c(F)c1S 587135064 RKDFMFMGLIDUCN-UHFFFAOYSA-N 404.388 5.654 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)cc2F)c1 587143397 QIQUBZCRYWUBNH-UHFFFAOYSA-N 422.674 6.400 0 1 HKAF Fc1ccc(-c2cn3c(Cc4nc5cccc(C(F)(F)F)c5[nH]4)csc3n2)cc1 587165649 AAKZGIUXLGVRJP-UHFFFAOYSA-N 416.403 5.688 0 1 HKAF Cc1ccc(C)c2c1OCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356069 HTZBNVSYFLGGTC-RDGATRHJSA-N 404.437 5.185 0 1 HKAF O=C1c2ccc(O)cc2OC2(CCC(O)(c3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 587356867 RVHTWDVKLHFZJX-GMUMFXLYSA-N 418.464 5.091 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C2=CCCCC2)CCC3)c1 587364732 BZUQONVJYORRTJ-NRFANRHFSA-N 409.529 7.577 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(C)cc1OCc1ccccc1)[C@@H](C2)C3=O 587444353 SQWZCSRJUPWFPR-LVXARBLLSA-N 400.474 5.245 0 1 HKAF COc1cc2c(cc1Br)CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587499798 VHWOTMUUPBPLMB-QFIPXVFZSA-N 413.311 5.143 0 1 HKAF Cc1ccc([C@@]2(Cc3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587501944 AZWYDDKUKCIWCV-HHHXNRCGSA-N 400.493 6.116 0 1 HKAF CN(C)/C=C/[C@@]1(c2cccc(OC(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587503193 GANQQCAGPNGWBC-BYUVYSIJSA-N 413.464 5.103 0 1 HKAF COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCC(C)C 587523071 MXQFACXAHOUGLQ-SANMLTNESA-N 408.538 5.880 0 1 HKAF Cc1ccc([C@@]2(Cc3nc4ccccc4[nH]3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524996 MZQUSNOIELBFJE-NDEPHWFRSA-N 422.528 5.854 0 1 HKAF CCOc1ccc([C@]2(CCCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587527843 ZAJCWMQKYKWQMV-VWLOTQADSA-N 408.494 5.080 0 1 HKAF CCCOc1ccc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546159 IUXGWXRMKRKNBC-NZQKXSOJSA-N 410.853 5.537 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(CCCc3ccccc3)c(-c3ccc(Cl)cc3)c2c1 587641157 KSOAJACARHCZES-IBGZPJMESA-N 401.981 8.177 0 1 HKAF CC[C@@]1(c2c(F)cccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587714694 BADQAWPYGIHZFE-XTZNXHDOSA-N 400.694 5.569 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OC(F)(F)F)c2)N1 587721391 PTFUEOVBVKRKMV-DYZYQPBXSA-N 418.228 5.285 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(F)c(Cl)c2)N1 587721446 VTJMXWFYMCKFML-VGDKGRGNSA-N 407.085 5.658 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(C)(C)C)(c2ccc(F)cc2)N1 587735554 XQSMYIZCSFQPLY-ZSEKCTLFSA-N 408.330 5.941 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3cc(C)cc(Br)c3[nH]2)c1 587779884 ILTZOCMJSCOMPC-UHFFFAOYSA-N 407.311 6.367 0 1 HKAF FC(F)(F)c1cc(Br)cc2nc(COC/C=C\c3ccccc3)[nH]c12 587781386 USNQAZLGKXBHJX-DAXSKMNVSA-N 411.221 5.574 0 1 HKAF CCCCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587793532 NMCZSOZCWVDMRR-LHSJRXKWSA-N 406.339 5.781 0 1 HKAF Cc1ccc(C[C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587813510 OEOKZZBLQUQSOZ-BXKMTCNYSA-N 424.357 5.917 0 1 HKAF COc1c(Cc2ccccc2)cc(O)n1-c1cc(OC(C)C)c(Cl)cc1Cl 587943031 IWJNOJZBAZNNMV-UHFFFAOYSA-N 406.309 5.876 0 1 HKAF CC[C@@]1(Cc2nc3cc(Cl)cc(Br)c3[nH]2)CC(=O)c2ccccc2C1 587959951 JGDGFBYVMMVNEX-FQEVSTJZSA-N 417.734 5.747 0 1 HKAF C[C@@H](COc1c(Cl)cccc1Cl)NCc1ccc2c(c1)C(C)(C)N(O)C2(C)C 653755873 BXOSTDJWHDPKCM-AWEZNQCLSA-N 423.384 5.726 0 1 HKAF Cc1cccc(CC[C@]2(c3cccc(C)c3C)c3ccsc3CCN2C(N)=O)c1 962705438 NQKGVTDJESBGLT-VWLOTQADSA-N 404.579 5.487 0 1 HKAF Cc1nc(-c2cccnc2)sc1[C@@]1(C)c2ccsc2CCN1Cc1ccco1 962712656 VRTHZVCRXJOSPD-JOCHJYFZSA-N 407.564 5.490 0 1 HKAF C[C@@]1(Cc2c[nH]c3ccccc23)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962960560 SDEAPWLSRDKXPH-QFIPXVFZSA-N 414.471 5.296 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1ccccc1)c1cc2cccc(OC)c2o1 963234838 VSZHPJFIWVRPOV-MMTVBGGISA-N 411.545 6.390 0 1 HKAF CSc1ccc([C@]2(C3CCCC3)c3cccc(Br)c3CCN2C)cc1 963269486 JUXCDFSPGAIJGW-JOCHJYFZSA-N 416.428 6.093 0 1 HKAF Cc1cccc2c1[C@@H](c1ccc(C(C)C)cc1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963862645 DHAWYLOUDKTDMR-ZJSXRUAMSA-N 423.553 5.844 0 1 HKAF CC1=C[C@H](CNC2CCOCC2)[C@@H](C(C)C)C[C@H]1Cc1nc2ccc(Cl)cc2[nH]1 2356407964 QMTNRNUKMQSYCV-WAOWUJCRSA-N 416.009 5.382 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC=C2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356472234 PAFFRGPILQJRRL-YAYMOSNNSA-N 414.718 7.881 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4[C@H](CC[C@H](O)C4(C)C)[C@H]3CC[C@@]12C 2356562751 CIUWDTKQGZYEEE-XUDSHCJASA-N 412.702 7.945 0 1 HKAF CC(=CCCC(C)C)[C@@H]1CC[C@]2(C)C1=CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]12C 2356565260 SXTIDPQFHVNBMX-SXLKBRFASA-N 424.713 8.543 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356582793 XOCKKQKIUYNBRG-GIUNHBHBSA-N 418.706 6.685 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CCC2=C3CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356585189 GXGUDXDDESQQQQ-OTXFXMEOSA-N 412.702 8.089 0 1 HKAF COc1ccc(-c2ccc3c(c2)[C@H]2C[C@H]3CCN2S(=O)(=O)c2ccccc2C)cc1 102847891 FAGXYHJDLFIJSU-HYBUGGRVSA-N 419.546 5.294 0 3 HKAF CSc1nc2c(sc(=S)n2-c2ccccc2C)c(=O)n1-c1ccc(F)cc1 756701 KWUYWFNPWBVTDX-UHFFFAOYSA-N 415.540 5.137 0 1 HKAF O=C(c1cscc1CCc1ccccc1)c1cscc1CCc1ccccc1 1862778 ICGJMJTZNUGTLV-UHFFFAOYSA-N 402.584 6.611 0 1 HKAF CC[C@@H](C)CCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)O 14490971 FMVRIKNURVCXAV-JWQCQUIFSA-N 412.699 8.280 0 1 HKAF biogenic CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(Br)cc23)C1(C)C 14975750 ZMEPEBXUHCNCIK-UHFFFAOYSA-N 418.375 5.695 0 1 HKAF CCCCCCC1=C(c2ccccc2)[C@]2(Nc3ccc(C(C)(C)C)cc3)CCC[C@@H]2C1 14978575 QAJWNVMZUPLQGY-VIZCGCQYSA-N 415.665 8.763 0 1 HKAF c1ccc(C(OCCN2CCN(CCCc3cccs3)CC2)c2ccccc2)cc1 22938573 LZIOWZFBJQHWNY-UHFFFAOYSA-N 420.622 5.105 0 1 HKAF CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1Br 28391102 DNCFKDLZZSXXJP-UHFFFAOYSA-N 421.069 5.265 0 1 HKAF FC(F)(F)c1cnc(Nc2ccc3[nH]cnc3c2)nc1Nc1ccccc1Cl 28523014 UEYQVGAFBVFHAU-UHFFFAOYSA-N 404.783 5.512 0 1 HKAF C[C@H](NC(=O)C(C)(C)Oc1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 35079393 IROBMYGWVLTDFP-YADARESESA-N 421.968 6.029 0 1 HKAF COc1ccnc2c1c(Sc1ccc(Cl)cc1)c1n2CCC[C@H]1CC(=O)O 40943377 QXIWICPKPDEQLB-LBPRGKRZSA-N 402.903 5.202 0 1 HKAF O=C(NC1(c2ccccc2)CCCC1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1 45244935 QMFCVUBOUYDJOF-FGZHOGPDSA-N 400.522 5.811 0 1 HKAF COc1ccccc1[C@H]1c2c(nc3c(c2N)CCCC3)Oc2ccc3ccccc3c21 71296441 QVGAOTIUMFMLBN-XMMPIXPASA-N 408.501 5.990 0 1 HKAF Cc1ccc(N2CCN(Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)CC2)cc1C 72103158 JTOKXDWDZHKWBG-UHFFFAOYSA-N 415.459 5.299 0 1 HKAF CC[C@@H](C)Nc1ncc(C(=O)NCc2ccccc2Cl)c(-c2ccc(F)cc2)n1 82141227 PAPZLAMGFXSZRU-CQSZACIVSA-N 412.896 5.077 0 1 HKAF CCCCNc1ncc(C(=O)N[C@H](C)CC)c(-c2ccc(-c3ccccc3)cc2)n1 82153815 BTLWAVNQSJJLLF-GOSISDBHSA-N 402.542 5.551 0 1 HKAF Cc1cccc(-c2nc(N[C@H]3CCCC[C@H]3C)ncc2-c2nc3ccccc3s2)c1 82167473 GDTSNTCNNRGFBK-XLIONFOSSA-N 414.578 6.719 0 1 HKAF Cc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2c(O)cccc2c1=O 84654193 PKMXLJVSMZOPJT-UHFFFAOYSA-N 412.367 5.170 0 1 HKAF CC1(C)C=C2[C@@H]3CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 95913999 NQIUPAJMEMKVPU-IMQJRXMUSA-N 424.713 8.377 0 1 HKAF biogenic,in-vitro COc1ccc(Sc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)cc1 96939319 VFDHQGBWCJFPSC-UHFFFAOYSA-N 420.642 7.428 0 1 HKAF CCC[C@H](C)CCC[C@@H](C)C(=O)C[C@@H](O)[C@@H](C)C/C=C/C1=C(C)CCCC1(C)C 100781232 JSSNFOHEHRIBDT-YOMOQJLASA-N 404.679 7.658 0 1 HKAF endogenous,in-man CC1(C)COP(=O)([C@@H](OC(=O)COc2ccc(Cl)cc2)c2ccccc2)OC1 103173520 DBHSFZMPJROTLF-LJQANCHMSA-N 424.817 5.227 0 1 HKAF O=C(O)c1cc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2cc1O 144334781 ZBTBCHMFCUUTFI-UHFFFAOYSA-N 411.244 5.674 0 1 HKAF COc1ccccc1-n1nc(C2CC(C)(C)OC(C)(C)C2)cc1-c1ccc(C#N)cc1 145142855 ZMWUDKRLIKGGBO-UHFFFAOYSA-N 415.537 5.871 0 1 HKAF O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1Cl)c1cc(Cl)ccc1O 205427106 QOPYRAIHEPYRSW-UHFFFAOYSA-N 418.120 5.989 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@@]12C 299847225 YMMFNKXZULYSOQ-KYIIUUHJSA-N 420.678 5.554 0 1 HKAF O=C([C@@H]1C[C@H]1c1ccccc1)N(C[C@H]1CCCNC1)c1ccc(-c2ccccc2)cc1 299871189 YADANUCSRVPRIW-NJTBCWBZSA-N 410.561 5.490 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)cc2)CC1 586879614 GULSWKVEXQYMFO-WKILWMFISA-N 418.478 7.852 0 1 HKAF Cc1ccc2ccccc2c1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586883830 OFKMJSCSTAWBTR-UHFFFAOYSA-N 405.217 6.473 0 1 HKAF O=Cc1cc(Br)cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 586982915 RXVUUXJKRNCIDG-UHFFFAOYSA-N 403.585 5.477 0 1 HKAF Cc1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1C 587000784 QLOKJVAECKTJCY-UHFFFAOYSA-N 407.315 5.616 0 1 HKAF FC(F)(F)Oc1cc2nc(CSCc3ccsc3)[nH]c2cc1Br 587025835 IQMUQBIYNGCCHE-UHFFFAOYSA-N 423.279 5.719 0 1 HKAF C[C@@H]1CCc2sc(-c3nc4c(C(F)(F)F)cc(Br)cc4[nH]3)cc2C1 587034143 PLNPXQMGPCCGJY-MRVPVSSYSA-N 415.278 6.198 0 1 HKAF COc1cc(/C=C/c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc(Cl)c1OCC(C)C 587047021 RSAWIMHUXBIUKZ-SNAWJCMRSA-N 418.852 5.267 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc5c(cc4[nH]3)OCCCO5)c2)c1 587048405 ANAASVFPZJQVBM-UHFFFAOYSA-N 404.853 5.524 0 1 HKAF COc1cccc(-c2ccc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c(Cl)c2)c1 587051515 DGMFUJSIBFNXSY-UHFFFAOYSA-N 405.231 6.491 0 1 HKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2nc(C)c(Br)cc2[nH]1 587066016 DUKIIEJRYJLYFI-UHFFFAOYSA-N 401.695 5.448 0 1 HKAF CNc1cc(Cl)ccc1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587066701 FYDVNAISEXTVFW-UHFFFAOYSA-N 408.727 5.722 0 1 HKAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(Br)c(OC(C)C)cc3[nH]2)n1 587080654 SBBBBDCANCEEMD-JTQLQIEISA-N 411.731 5.601 0 1 HKAF COC(=O)CCCCCCCc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O 587096643 FZHNLHPESTVZHN-UHFFFAOYSA-N 401.506 5.811 0 1 HKAF Cc1c(-c2ccc3cc(N(C)C)ccc3c2)nc2cccc3c2c1-c1ccccc1C3=O 587104384 QVVTTXXTCQBGMM-UHFFFAOYSA-N 414.508 6.641 0 1 HKAF Fc1cc(C(F)(F)F)ccc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587110334 ZQVFHGWYQLYLQA-UHFFFAOYSA-N 413.399 6.665 0 1 HKAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587113414 RUGPNECBXKJTOS-SFHVURJKSA-N 413.468 5.975 0 1 HKAF CCOc1cc(/C=C/c2nc3cc(Cl)c(Cl)nc3[nH]2)ccc1OC(F)F 587130073 JSSFNIITLBGWIA-GQCTYLIASA-N 400.212 5.435 0 1 HKAF COc1cc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC 587345915 ADYOEWCJMIVDCA-ILBGXUMGSA-N 422.452 5.131 0 1 HKAF Cc1ccc2c(c1C)[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355535 DRKWTKUFODYKKS-ZCYQVOJMSA-N 404.437 5.185 0 1 HKAF COC(=O)[C@@]1(C)CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587363020 OPGONWFDPPDCCV-VWLOTQADSA-N 401.462 5.325 0 1 HKAF COc1ccc([C@]2(c3cccc4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)cc1 587404250 VRACLFYJJYCATI-MHZLTWQESA-N 409.485 5.648 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(Cl)cc4)[nH]c4ccccc14)[C@@H](C2)C3=O 587421762 MXKFLGJWGCSKBU-BVZFJXPGSA-N 415.876 5.986 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1cccc(Br)c1)(C1CC1)CC2=O 587456812 BKLDPPZUZRUNAH-OAQYLSRUSA-N 401.300 5.378 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1cc(C)ccc1C)(c1ccccc1Cl)CC2=O 587463187 WGACOIKGXSDBLY-AREMUKBSSA-N 420.936 6.524 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)c(Cl)c1F)CC2=O 587466964 RKADIZQOARSKAS-OAHLLOKOSA-N 413.670 5.606 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCc3cc(F)cc(Br)c31)CC2=O 587471953 NDHQJSOUPMUZCL-HXUWFJFHSA-N 405.263 5.053 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(N3CCC[C@H](C)C3)ccc1N)CC2=O 587476481 PBVHPLRRCNPGQM-LMKMVOKYSA-N 408.542 5.044 0 1 HKAF CCCCc1ccc([C@]2(C(=O)OCC)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587476689 AFCNCMCUADLBNW-VWLOTQADSA-N 410.510 5.111 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(OCC)cc(OCC)cc1OCC)CC2=O 587480284 OLPNNYHZRNGURN-JOCHJYFZSA-N 414.498 5.247 0 1 HKAF CN(C)/C=C\[C@@]1(c2ccc(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587504050 IDZVYIMXXNOWFA-DGVDTQEHSA-N 416.348 5.808 0 1 HKAF O=C1C[C@]2(C=C(c3ccccc3)Oc3cc(O)ccc32)Oc2c1ccc1c2CCCC1 587532580 OZVTWOUIHAEFMW-HHHXNRCGSA-N 410.469 5.565 0 1 HKAF COc1cc2c(cc1OC)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)CC(C)(C)O2 587535756 NRATURIGWKVYGB-RUZDIDTESA-N 408.494 5.004 0 1 HKAF C[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541984 GZXUSPAMCMMYSA-RXVVDRJESA-N 401.245 5.576 0 1 HKAF Cc1ccc(SC(C)(C)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587607435 MTGDLBSVSYOMDK-NFBKMPQASA-N 406.503 5.602 0 1 HKAF CC(C)c1cc([C@@]2(C(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587608227 KEYMTZGVIGEPTD-JYFHCDHNSA-N 418.489 5.734 0 1 HKAF Cc1cc(Cl)cc2c(-c3ccc(F)cc3)c(-c3ccc(Cl)cc3Cl)[nH]c12 587625066 ZQFBYOVKZVFYQP-UHFFFAOYSA-N 404.699 7.910 0 1 HKAF COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1cc(Cl)ccc1Cl 587628924 UZEBUTHSDSTVAO-UHFFFAOYSA-N 400.620 5.285 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(Cl)ccc1CC2(C)C 587696538 KUDINSCWKAQFOI-YBTHPKLGSA-N 408.742 5.602 0 1 HKAF CC(C)CC[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587704036 RKVVEICJGBORRB-SPLOXXLWSA-N 424.785 6.456 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)c(Cl)cc2F)N1 587722312 XYFXMHJHHZXHLO-WNWIJWBNSA-N 421.112 5.832 0 1 HKAF CCCCCCOc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587790001 DPYWXRSCBFZZFI-IVZQSRNASA-N 420.366 6.171 0 1 HKAF COc1ccc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 587804760 BRGFHEPEYOEJJQ-GTJPDFRWSA-N 400.291 5.374 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]2C(=O)c2ccccc2)N1 587818214 CSTVFLCSPCXCLB-NZCGUCNHSA-N 402.307 5.001 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(O)c2)N1 587832632 KDSPHUGCXMSZSC-JLCFBVMHSA-N 412.302 5.120 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(Cl)ccc1O 587858149 YMJPKSJJJKCCKS-UHFFFAOYSA-N 411.672 5.303 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1ccc(OC)c(OC)c1 587859831 JWVFLCWFMGXEKV-UHFFFAOYSA-N 407.297 5.321 0 1 HKAF CCCCC[C@@H](C)CNC(=S)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587863501 LYTSGEPSQOTRHQ-CQSZACIVSA-N 413.509 5.517 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2c(C)nc3ccccn23)cs1 587872231 LBWUTKMQTMEUJU-UHFFFAOYSA-N 419.485 5.157 0 1 HKAF Fc1ccc2c(c1)-c1cc(n(C(=S)Nc3ccc(OCc4ccccc4)cc3)n1)O2 587877181 ZNDFMEZHYXNAJR-UHFFFAOYSA-N 417.465 5.619 0 1 HKAF CSc1ccc(-c2csc(COc3ccc(C4SCCS4)cc3)n2)cc1 587924558 CJONJETZAZYKCS-UHFFFAOYSA-N 417.646 6.590 0 1 HKAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(Br)c(O)c4[nH]3)c2)c1 587933423 ZXAIPGMIIKJJFU-UHFFFAOYSA-N 411.255 5.079 0 1 HKAF C[C@@]1(c2ccc3ccccc3c2OC(F)F)NCCc2cc(-c3ccccc3)ccc21 962658402 COLPTPFAYXCRKW-HHHXNRCGSA-N 415.483 6.517 0 1 HKAF C[C@@H](C(=O)C(F)(F)F)[C@]1(c2ccccc2)c2ccsc2CCN1Cc1ccco1 962706338 LWBDXILEADNDTO-BTYIYWSLSA-N 419.468 5.411 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](Cc2ccccc2Cl)(c2cccs2)N1 962943244 GFCRKXFJFRMDTH-OSPHWJPCSA-N 406.982 6.293 0 1 HKAF CCOC(=O)CC[C@]1(c2cc(C)c(C)cc2C)c2c(F)cccc2C[C@H]2CCCN21 963113564 RSEBLGDTFLNKNQ-RLWLMLJZSA-N 409.545 5.358 0 1 HKAF CCOc1ccc(C)cc1-c1cc(Cl)cc([C@H](CC(=O)O)c2ncc(C)s2)c1 1772599541 KRXDALXKBLVRIP-IBGZPJMESA-N 415.942 6.086 0 1 HKAF Cc1ccc(CSc2nc3ncn(-c4c(C)cccc4Cl)c(=O)c3s2)cc1 1857569972 YSFKTWLOGDPAAO-UHFFFAOYSA-N 413.955 5.405 0 1 HKAF O=C(/C=C/c1ccccc1)Nc1cc2c(Nc3cccc(Cl)c3F)ncnc2s1 1857577392 YEWSMXDKUDRIOL-MDZDMXLPSA-N 424.888 5.879 0 1 HKAF CC1=CC[C@@](Oc2ccc3c(c2)[nH]c2c4c(c(C)cc23)OC(C)(C)C=C4)(C(C)C)CC1 1857774514 BODDYKIMWPFIST-NDEPHWFRSA-N 415.577 7.718 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC=C2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 2356313058 OGQJUYXFIOFTMA-XDMZKGIFSA-N 412.702 8.089 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@@H]1CC=C2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356472233 PAFFRGPILQJRRL-PTYMAMKPSA-N 414.718 7.881 0 1 HKAF CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CCCC(C)(C)[C@@H]5C(=O)C[C@@]43C)[C@@]2(C)CC1 2356712084 OZFAGHUNGAZEMO-GBZNTQHQSA-N 424.713 8.377 0 1 HKAF CCc1ccc(-c2nc3cc4[nH]c(=O)c(C)nc4cc3n2CC2CCCCC2)cc1 15936868 WDOGCCJMZGOAIQ-UHFFFAOYSA-N 400.526 5.391 0 3 HKAF COc1ccc(-c2noc(-c3ccc(Cl)cc3F)c2C(=O)NC2CCCC2)cc1 774010 SSGYWKGHPWJTNC-UHFFFAOYSA-N 414.864 5.482 0 1 HKAF O=C(Nc1ccccc1O)c1ccc(-c2ccc(C(=O)Nc3ccccc3O)cc2)cc1 12403142 YSYYWCNJELSQKA-UHFFFAOYSA-N 424.456 5.269 0 1 HKAF CCN(CC)C(=O)c1ccc(-c2ccc(OCCCN3CCC(C)CC3)cc2)cc1 13488960 WFAHTFBTMDDMHV-UHFFFAOYSA-N 408.586 5.336 0 1 HKAF CCCC[C@H]1c2c([nH]c3ccccc23)[C@H]2Oc3c(O)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@H]13 28522460 YLFVOHQBMMEFKC-DZDPWWECSA-N 414.549 5.409 0 1 HKAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1ccc2ccccc2c1)C(F)(F)F 28862450 MHSIIOXPCQMXQE-QHCPKHFHSA-N 420.446 6.191 0 1 HKAF O=C(Cc1ccc2ccccc2c1)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1 29042754 BADKXRONBCXDKA-SXOMAYOGSA-N 412.577 5.253 0 1 HKAF Cc1c(N2CCc3c(-c4ccccc4)cc(F)cc32)nc2ccc(F)cc2c1C(=O)O 29472774 XFFSEEOGRCVXPB-UHFFFAOYSA-N 416.427 5.881 0 1 HKAF Cc1ccc(C2(N3CCC4(CC3)C(=O)NC[C@H]4c3ccccc3)CCCCC2)cc1 34576027 CPFDRWBGJJIFAB-DEOSSOPVSA-N 402.582 5.150 0 1 HKAF CC(/C=C/CN(Cc1ccccc1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)=C\C(=O)O 36242013 CGMJFJZFKFWVNY-XOWWARPTSA-N 419.609 6.875 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C 39106935 WGQQVYQFMINSIL-MHRJERTDSA-N 414.674 6.504 0 1 HKAF CC(C)(C)c1cccc(-c2nc3ccc(-c4nc5cc(C(=N)N)ccc5[nH]4)cc3[nH]2)c1O 40937087 ADNQIAKQUHWSCS-UHFFFAOYSA-N 424.508 5.060 0 1 HKAF Cc1cccc2nc(-c3cccc(-c4cccc(NC(=O)c5cccnc5)c4)c3)[nH]c12 45323557 QDTLZJSECZYBDP-UHFFFAOYSA-N 404.473 5.853 0 1 HKAF COc1ccc(-c2cccnc2)c2cc(C(=O)Nc3ccc(Cn4ccnc4)cc3)oc12 49034633 KZRJQHPUTBRETL-UHFFFAOYSA-N 424.460 5.001 0 1 HKAF O=C(O)[C@H]1C[C@H]1COc1nc2c(F)c(-c3ccc(-c4ccccc4)cc3)c(F)cc2[nH]1 72316449 XYDQMCFXISPLLU-IRXDYDNUSA-N 420.415 5.275 0 1 HKAF FCCn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc(C4CC4)cn3)cc2)n1 73164095 GOPZIRXQPBOORF-UHFFFAOYSA-N 414.484 5.433 0 1 HKAF Cc1ccc(CNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccccc3)n2)o1 82162494 XGKQMXADVGVRMW-UHFFFAOYSA-N 422.488 6.288 0 1 HKAF COC(=O)CSc1c(-c2cccc(OC)c2)nc2ccccc2c1-c1ccccc1 96930266 SSLFFCBEPCJBHM-UHFFFAOYSA-N 415.514 5.843 0 1 HKAF O=C(O)c1cn(Cc2ccc(Cl)cc2Cl)c2c(C(F)(F)F)cccc2c1=O 96934458 MJFUBTQMOCHXMS-UHFFFAOYSA-N 416.182 5.074 0 1 HKAF COc1ccccc1N1[C@H](c2ccccc2)[C@]12C(c1ccccc1)=Nc1ccccc12 103276232 HUKGLBIOHJMAPH-FBMPGHKGSA-N 402.497 6.286 0 1 HKAF CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1cccc(OC)c1 104693214 WBORABUOQPBWII-XMMPIXPASA-N 404.510 5.898 0 1 HKAF Oc1ccc2c(c1)/C=C\c1ccc(O)c(c1)Oc1ccc(cc1)CCc1cccc(c1)O2 141543595 MOTBWTKNDKAKBC-POHAHGRESA-N 422.480 6.951 0 1 HKAF C[C@@H](CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2C2CCN1CC2 143046910 IFRDFTURCPYECO-KRWDZBQOSA-N 421.556 6.265 0 1 HKAF N#CN1[C@@H](c2ccc(Cl)cc2)CC(=O)[C@H](c2ccccc2)[C@@H]1c1ccc(Cl)cc1 169290262 GTFNZNFOQZIXSK-NHTMILBNSA-N 421.327 6.315 0 1 HKAF C/C=C(/CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C=C[C@@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 255211670 GBBBJSKVBYJMBG-CNDNZTADSA-N 412.702 7.801 0 1 HKAF Cc1cn(C[C@H]2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)nc1C 261088242 CYEKERUNBYWVCC-KOMQPUFPSA-N 413.871 5.161 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(O)c(Br)ccc3[nH]2)cc1 586879904 UMVYBBDTHFGEGR-UHFFFAOYSA-N 423.266 5.372 0 1 HKAF CC(C)(C)c1ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2n1 586957644 AINSSXHCGVXSSU-GDLZYMKVSA-N 403.551 5.294 0 1 HKAF O=[S@](Cc1nc2cc(C(F)(F)F)cnc2[nH]1)C(c1ccccc1)c1ccccc1 586958566 GPHGTRFKRCASPI-GDLZYMKVSA-N 415.440 5.015 0 1 HKAF Cc1ccc2c3c(cc(C[C@H](C)NC(=O)OC(C)(C)C)nc13)-c1ccccc1C2=O 586995590 ITIXRFFUYLTMPU-HNNXBMFYSA-N 402.494 5.210 0 1 HKAF Cc1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c1C 586999326 ZLWRQYWCWFXIIH-UHFFFAOYSA-N 407.311 6.188 0 1 HKAF Oc1cccc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c12 587013109 HVFCMGJWPSNRTN-UHFFFAOYSA-N 417.921 6.303 0 1 HKAF COc1cc(-c2nc3cc(C)cc(Br)c3[nH]2)cc(Cl)c1OCC(C)C 587044629 JJQRQEPNMHZACL-UHFFFAOYSA-N 423.738 5.998 0 1 HKAF COC(=O)c1ccnc2[nH]c([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc12 587069857 FRJOXKQBAHYUHR-NCIRPWHGSA-N 416.308 5.417 0 1 HKAF FC(F)(F)c1cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1Br 587081398 URPBOAKDHAZJQQ-AWEZNQCLSA-N 417.612 5.674 0 1 HKAF Clc1cnn2c(-c3nc4cc(Br)ccc4[nH]3)cc(-c3ccccc3)nc12 587081942 ZBHFZPPJRVNSLY-UHFFFAOYSA-N 424.689 5.356 0 1 HKAF Cc1cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2cc1Br 587083434 UGULCMUWFHSHGV-UHFFFAOYSA-N 407.098 6.156 0 1 HKAF Fc1cnc(Br)c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c12 587084287 WZHFSLUTUXGGPT-UHFFFAOYSA-N 403.642 5.242 0 1 HKAF CCOP(=O)(Cc1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O)OCC 587101620 HSFVGIWEMPKRMR-UHFFFAOYSA-N 409.422 5.829 0 1 HKAF CCOC(=O)Cc1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1 587128226 HTCVNBSRZKYVHV-UHFFFAOYSA-N 413.449 5.397 0 1 HKAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c(F)c2)c1 587138610 OEJJZYYWLZJPIH-UHFFFAOYSA-N 418.321 5.892 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3c(Br)ccnc3[nH]2)cc1F 587149969 JJTONGMLRUWAPY-QGZVFWFLSA-N 416.225 5.167 0 1 HKAF CC(C)COc1cc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2cc1Br 587162778 LMOGXXPSBZNQIL-UHFFFAOYSA-N 419.294 5.315 0 1 HKAF Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3ccnc(Cl)c3[nH]2)cc1 587165020 ITLFEEYVUDLYFT-UHFFFAOYSA-N 418.863 5.088 0 1 HKAF Clc1cc(I)cc(-c2nc3ccc4ncccc4c3[nH]2)c1 587184699 ULYMJNCVCZOSIR-UHFFFAOYSA-N 405.626 5.036 0 1 HKAF O=C(N[C@@H](c1ccccc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1)c1ccccc1 587221284 VFOWEJCXBYPPNW-VWLOTQADSA-N 419.484 5.875 0 1 HKAF FC(F)(F)C(F)(F)c1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2cn1 587232628 WVVGECUGNVKGGU-UHFFFAOYSA-N 422.357 5.162 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2N2CCCCCC2)[C@H]1c1ccc(F)cc1 587347905 VRFUPAPRJPMKEH-GNKBHMEESA-N 423.528 5.448 0 1 HKAF C[C@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccsc2S1 587372136 HREXBOCUHLWYNN-UJOSWYDYSA-N 412.507 5.732 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1sc(-c4ccccc4Cl)nc1C)[C@@H](C2)C3=O 587453218 WFTXLOMXYSQCOX-OYHNWAKOSA-N 411.910 5.443 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1c1cccc(C(F)(F)F)c1)CC2=O 587463812 CJVCMNJNGKFAQU-GCJKJVERSA-N 404.428 6.035 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cn([C@H](CC)C(=O)O)c3ccccc13)CC2=O 587469801 FYBJSTSLHXYQQO-KBMIEXCESA-N 421.493 5.216 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(OC)c(OC)c3)cc1)CC2=O 587480230 OEBIQAAAFRJNGJ-XMMPIXPASA-N 418.489 5.735 0 1 HKAF C[C@@H]1CCCN(CCOc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)C1 587515607 VTHTYGACVLHKSD-NIYFSFCBSA-N 419.565 5.383 0 1 HKAF Cc1ccc(Sc2ncccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587530344 CCLUMTBTKJHCIV-HSZRJFAPSA-N 401.531 6.127 0 1 HKAF O=C1C[C@H](c2ccc(Sc3nc4ccccc4[nH]3)o2)Oc2c1ccc1c2CCCC1 587531233 GVGZQGPDSGBHEN-OAQYLSRUSA-N 416.502 5.892 0 1 HKAF CC[C@]1(c2c(Cl)cccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540534 AYXMHBMVXRSLRW-DENIHFKCSA-N 415.272 5.966 0 1 HKAF C[C@]1(Cc2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540960 CLODMEDCWMTGRV-DENIHFKCSA-N 415.272 5.662 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(Cl)c(Cl)cc12 587552079 NFYYJMKHYMBRFM-SIKLNZKXSA-N 413.256 5.502 0 1 HKAF Cc1ccc(C2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587600636 BOJVWKFZJNTOPN-RUZDIDTESA-N 422.480 5.914 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1cc(Cl)ccc1Cl 587625095 BJLJOPMOFAUMSN-UHFFFAOYSA-N 412.160 7.488 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(Cl)cc2Cl)N1 587691458 BLWAYEIQABJRFC-YPMLDQLKSA-N 417.149 5.887 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(C(F)(F)F)cc32)N1 587711922 JDHFHBYGJXKTOF-MGNBDDOMSA-N 414.240 5.331 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCSc3cc(F)c(F)cc32)N1 587735959 VTURGKYSFMMIHP-LZVRBXCZSA-N 414.290 5.140 0 1 HKAF COc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587753065 HOEAHQUVUIVDNI-ASSNKEHSSA-N 415.306 5.011 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3cc(OC)c(C(=O)OC)cc3[nH]2)c1 587780722 ZPYDSKDVLAEHGL-UHFFFAOYSA-N 402.450 5.091 0 1 HKAF COc1ccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(OC)c1C 587788356 ZFUOHLHPLFXFGM-UHFFFAOYSA-N 401.491 5.832 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(-c3ccccc3)no2)N1 587793862 LWXPCKVNDUGVDF-ODXCJYRJSA-N 401.279 5.041 0 1 HKAF CC(C)[C@@H]1CCc2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587823057 OBDVAYULVDGNKJ-UVQUFPMPSA-N 402.351 5.584 0 1 HKAF Fc1ccc(-c2csc3ncnc(-n4nc5cc4Oc4ccc(F)cc4-5)c23)cc1 587873223 DMBZBZVOQDZBCN-UHFFFAOYSA-N 404.401 5.595 0 1 HKAF COc1ccc(C[C@@H](C)c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1OC 587927368 SYGFCPWFXYZYKP-MRXNPFEDSA-N 404.535 6.078 0 1 HKAF COc1cccc(CCc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1 587929917 AMAWUFHOPOLKEK-UHFFFAOYSA-N 403.320 5.154 0 1 HKAF COc1cc(C)c(OC)n1-c1ccc(Br)cc1OCc1ccccc1 587941497 RZKQZFDIEYMTLK-UHFFFAOYSA-N 402.288 5.144 0 1 HKAF CCOP(=O)(OCC)c1ccc([C@H]2NCCc3cccc(-c4ccccc4)c32)o1 962659120 FQQZUGBREQLOFR-HSZRJFAPSA-N 411.438 5.073 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1cccc(OC)c1)[C@H](CC)C(=O)OCC 963222747 CLXXEJILSBWEHK-GVCORALISA-N 409.570 5.185 0 1 HKAF O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc(Br)c(F)c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l)Cc2ccccc2)C1 2356786760 BANUALHDPUSWKA-PGCKSFNISA-N 420.977 5.391 0 1 HKAF COc1cccc(-c2cc(=O)c3cc(NC(=O)c4ccc(Cl)cc4)ccc3[nH]2)c1 13111148 FXHCWFHRHJIQCC-UHFFFAOYSA-N 404.853 5.109 0 3 HKAF aggregator CN1C[C@@H]2[C@H](c3ccc(Cl)nc3)C3(c4ccccc4)CC2(C3)[C@H]1c1ccccc1 13812915 XILORIGEVHNAMQ-FVFSUPNJSA-N 400.953 5.853 0 3 HKAF O=C(NOCc1ccccc1)Nc1csc(Cc2c(Cl)cccc2Cl)n1 13553624 PRYIKKLLXUIJSO-UHFFFAOYSA-N 408.310 5.294 0 1 HKAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@](O)(CCc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C 13760835 CQBIPYZMADVGQY-QARGTITOSA-N 422.653 6.598 0 1 HKAF C/C(=C\Cc1cc(O)cc(C)c1O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 14592912 GTWCNYRFOZKWTL-BIDSZKBNSA-N 402.663 8.334 0 1 HKAF endogenous,in-man O=C(O)c1cccc(C(CC(=O)c2ccc(F)cc2)CC(=O)c2ccc(F)cc2)c1 27644933 WYHSGQDEOYEULY-UHFFFAOYSA-N 408.400 5.293 0 1 HKAF O=C(CCCN1CCC2(CC1)Oc1ccccc1[C@H]2n1cccc1)c1ccc(F)cc1 29318161 CRXUEYXFQUPLTA-RUZDIDTESA-N 418.512 5.107 0 1 HKAF CC(C)CCc1cc(NCc2cccc3ccccc23)nc(NCc2ccccc2)n1 40954901 XKPAFRODLILISU-UHFFFAOYSA-N 410.565 6.443 0 1 HKAF Clc1ccc(Nc2nc3ccccc3c3[nH]c([C@H]4C[C@H]5CC[C@@H]4C5)nc23)cc1Cl 40957453 VHLCNCNFQWKRAL-ZENOOKHLSA-N 423.347 7.065 0 1 HKAF Clc1ccc(-c2oc(CNC3CCCC3)nc2-c2ccc(Cl)cc2Cl)cc1 43064817 VDSHBHVXEGLHEO-UHFFFAOYSA-N 421.755 7.001 0 1 HKAF O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CC[C@@H]2C[C@H]1c1cc(Cl)ccc12 61942395 MCLPPSVHCAKTNJ-QGHHPUGFSA-N 402.730 5.270 0 1 HKAF CC1(C)CC=C(c2ccccc2)c2ccc(C3=NO[C@H](c4ccc(C(=O)O)cc4)C3)cc21 71295119 QUXYKMHUQXHJMP-SANMLTNESA-N 423.512 6.364 0 1 HKAF CCOc1ccc(-c2c(C)nn3c(NC(CC)CC)c4c(nc23)CCC4)c(Cl)c1 72113554 WKIYPWQTEXHYRP-UHFFFAOYSA-N 412.965 5.846 0 1 HKAF CCCC[C@H](c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCCCC1 73220561 PPRCXCTUKWJNLM-MUUNZHRXSA-N 404.642 7.057 0 1 HKAF CCCCCn1c(C(C)C)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 82189364 YSUSICOHZORHGA-UHFFFAOYSA-N 420.388 6.101 0 1 HKAF O=C(O)C[C@H]1O[C@H](c2cccc3ccccc23)c2cc(Cl)ccc2-n2cccc21 84687292 IOMUUHMNPYQWQL-ISKFKSNPSA-N 403.865 5.919 0 1 HKAF CCCCN(CCCC)C(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1 84740314 ADQBQRBJQQJWQE-UHFFFAOYSA-N 421.628 8.034 0 1 HKAF O=C1CSC(N2N=C(c3ccc(Cl)c(Cl)c3)C[C@@H]2c2cccc(Cl)c2)=N1 95580565 XZMUAWZFCCLAKL-MRXNPFEDSA-N 424.740 5.427 0 1 HKAF Cc1ccc([C@@H](CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c2c(O)ccc3ccccc23)cc1 95594369 NDXFAXFPWSKNFC-JXALWOEJSA-N 401.550 5.880 0 1 HKAF CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(-c2ccncc2)s1 96271710 UXULBBRUTOUPCJ-UHFFFAOYSA-N 403.511 5.829 0 1 HKAF O=C(COc1ccccc1Cl)N1N=C(Nc2ccccc2)S[C@H]1c1ccccc1 103193496 JXMZHJGGORQFBN-NRFANRHFSA-N 423.925 5.376 0 1 HKAF COP(=O)(OC)[C@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 103220848 WQIOJXADIUGZPC-KRWDZBQOSA-N 419.197 5.100 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2cccnc2)C[C@H](c2ccccc2Cl)C1 103914614 GUZNUZAYWDTNKS-FYSMJZIKSA-N 401.897 6.364 0 1 HKAF Fc1cccc(CNc2cccc(-c3cc(N[C@@H]4CC=CCC4)ncc3Cl)n2)c1 115456998 IAIDPHCIWLYXLM-GOSISDBHSA-N 408.908 6.069 0 1 HKAF CCCCCCCCS(=O)(=O)Nc1cc(-c2ccccc2OC)ccc1C(=O)O 143728831 KAZWQGRKSTZUMQ-UHFFFAOYSA-N 419.543 5.163 0 1 HKAF C[C@@H]1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2c1c1ccccc1n2Cc1ccccc1 195428659 AONNCUFLRUFGMU-WSUBETFTSA-N 420.512 5.470 0 1 HKAF Nc1cnc(-c2ccc(C3CCC3)c(Oc3cnc4cc(F)c(F)cc4n3)c2F)cn1 224547605 OQEOEKINKUYFTQ-UHFFFAOYSA-N 423.398 5.146 0 1 HKAF Clc1ccc2c(NCCCCNc3nccc(Nc4ccccc4)n3)ccnc2c1 299828840 HKJICRDKLNIKKW-UHFFFAOYSA-N 418.932 5.726 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cnc(C(F)(F)F)cc4[nH]3)cc2)CC1 586881255 RUAOQDCBNAYRIK-WKILWMFISA-N 401.476 7.108 0 1 HKAF CSc1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc(C)cc3)[nH]c2c1 586949804 AVOBPAVPIRBEAT-UHFFFAOYSA-N 409.536 5.061 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(Br)cc3F)nc3ccc(O)c1c23 586986564 NBZCDGLTSNESTI-UHFFFAOYSA-N 420.237 5.720 0 1 HKAF Cc1ccc2c3c(cc(CC(=O)Nc4ccc(C(C)C)cc4)nc13)-c1ccccc1C2=O 586997514 SFWKZPUTHWFDSR-UHFFFAOYSA-N 420.512 6.059 0 1 HKAF Cc1cc(Cl)ccc1OCCCc1nc2c(Cl)c(Br)cnc2[nH]1 587066491 OMMUCCBKMQOLPZ-UHFFFAOYSA-N 415.118 5.347 0 1 HKAF Clc1cccc(-c2cc(-c3nc4cc(Sc5ccccc5)ccc4[nH]3)n[nH]2)c1 587068373 TYBNHOOPENHTAT-UHFFFAOYSA-N 402.910 6.425 0 1 HKAF Cc1c(Br)cnc2[nH]c(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc12 587093051 JTRXTFMWVCPGGR-UHFFFAOYSA-N 424.142 5.733 0 1 HKAF CCc1c([C@H](C)NC(=O)OC(C)(C)C)nc2cccc3c2c1-c1ccccc1C3=O 587104728 VKRFBNNXVOOFMM-AWEZNQCLSA-N 402.494 5.594 0 1 HKAF Cc1nc2cccc3c2c(c1Cc1c(C)[nH]c2ccccc2c1=O)-c1ccccc1C3=O 587107980 XFULFCPQWZEVGD-UHFFFAOYSA-N 416.480 5.495 0 1 HKAF Cc1c(Br)cc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2c1C 587116202 SYRIIRACMFKRFT-UHFFFAOYSA-N 407.621 5.015 0 1 HKAF Cc1nc2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc2cc1Br 587128489 MWTACDNDDBROCY-UHFFFAOYSA-N 421.270 5.757 0 1 HKAF Cc1c(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587166266 PUJVGKZYVDBVHZ-UHFFFAOYSA-N 411.480 6.262 0 1 HKAF C[C@]1(c2ccc(C(F)(F)F)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327789 HMTHCYMYKWVFEE-PZJWPPBQSA-N 417.358 5.219 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCOc3cc(Cl)ccc32)[C@H]1c1ccc(F)cc1 587331427 PNTOLODQDBMIEO-UPVQGACJSA-N 424.855 5.612 0 1 HKAF C[C@]1(c2c(F)ccc(F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332590 LWPROIMPJVDAKT-GCJKJVERSA-N 402.343 5.223 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C2CCCC2)[C@H]1c1ccc(F)cc1 587354134 MZYQLHMPNOCGED-AZGAKELHSA-N 402.465 5.976 0 1 HKAF COc1cccc(-c2cc(-c3cn4cc(C)ccc4n3)nc3c2oc2ccccc23)c1 587362593 HYOJDPABLYPSBM-UHFFFAOYSA-N 405.457 6.280 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)CCO3)(c1ccccc1Cl)O2 587379357 UETVEQIFCYXKIP-DEOSSOPVSA-N 405.881 5.075 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCCC(=O)c1ccccc1)(c1ccccc1)O2 587404104 VGSZLEUYAAOFGJ-HHHXNRCGSA-N 413.517 5.881 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(Br)cc3)s1)O2 587410111 LEPMEMLZBCBEFB-KRWDZBQOSA-N 414.324 5.775 0 1 HKAF CCCCCCC(=O)Oc1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587477753 ISTIRMFCIRQLLC-HSZRJFAPSA-N 410.510 5.927 0 1 HKAF CC(C)C[C@]1(Cc2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546073 HYHGYWGNGTTXEH-WIOPSUGQSA-N 422.908 6.035 0 1 HKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C1CCCCC1 587579299 UIVXMIIFRCPCPV-OZXSUGGESA-N 417.505 6.019 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587604633 XPVVCQZVKZVOOR-LBNVMWSVSA-N 422.480 5.914 0 1 HKAF O=C(c1ccco1)c1c(-c2ccccn2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628239 PRFCNWOKYZNNOV-UHFFFAOYSA-N 424.300 6.092 0 1 HKAF CCCCO/C=C/[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587707345 UICZYBBDJIOHOF-RPJXKNNSSA-N 410.249 5.210 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Cl)c2)(C(F)(F)F)N1 587711994 ZAODKWCNKYBNEJ-JDNHERCYSA-N 422.647 5.582 0 1 HKAF CCc1nc2cccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2o1 587776207 BXAWZTYYGDFBGL-BIBXISHDSA-N 403.295 5.090 0 1 HKAF Cc1ccccc1[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587816323 WMGZFBZOUPBTIF-HJPURHCSSA-N 410.330 5.723 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)sc1Br 587841445 BMEIGZYPHNPKBM-RTHLEPHNSA-N 419.157 5.344 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ccsc3)n2)N1 587851682 ILWMATWMOZLQEA-ABKXIKBNSA-N 409.349 5.397 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncccc1C(F)(F)F 587864044 BLAZPTYSWIEATJ-UHFFFAOYSA-N 401.310 5.371 0 1 HKAF CSc1ccc(-c2csc(-c3ccc(Oc4cccc(N(C)C)c4)cc3)n2)cc1 587924827 KULNTJOVEQZCOC-UHFFFAOYSA-N 418.587 7.057 0 1 HKAF CC(C)=CCC/C(C)=C/c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587967073 GSHCJZZSBRCKDW-YRNVUSSQSA-N 403.242 6.374 0 1 HKAF Cc1nc(N[C@@H](C)c2cncc(-c3cn[nH]c3)c2)cc(-c2ccc3occ(C)c3c2)n1 653773170 WUXQNBGWVUPJFZ-HNNXBMFYSA-N 410.481 5.465 0 1 HKAF Cc1c(F)ccc2c1[C@@](C)(c1cccc(OCc3c(F)cccc3Cl)c1)NCC2 962372781 HSLWYCVFRSYFBI-XMMPIXPASA-N 413.895 5.915 0 1 HKAF COc1ccc2c(c1OC)[C@]1(CCCc3c1[nH]c1c(Cl)cccc31)N(C)[C@@H](C)C2 962638961 XRFQUTUYQGWZPL-BSEYFRJRSA-N 410.945 5.295 0 1 HKAF CC(C)[C@@]1(c2ccccc2Cl)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962640817 RGYVQPVJFGXXFG-KCWPFWIISA-N 416.996 5.987 0 1 HKAF COCOc1cccc([C@@]2(c3cccnc3)NCCc3cc(-c4ccccc4)ccc32)c1 962674437 XHFJZHHAVOIKAJ-NDEPHWFRSA-N 422.528 5.169 0 1 HKAF CC[C@@]1(c2ccccc2Br)c2ccsc2CCN1Cc1cccnc1 962993482 JAMJAMNZOZYCBJ-OAQYLSRUSA-N 413.384 5.618 0 1 HKAF Cn1nc(-c2ccccc2)c2cc([C@H]3c4ccc(F)cc4C[C@H]4CCCN43)sc21 963091749 JSZPXWZPCGDELD-WZONZLPQSA-N 403.526 5.551 0 1 HKAF CCOC(=O)[C@@]1(c2cc(Cl)sc2Cl)c2c(F)cccc2C[C@H]2CCCN21 963102838 SERIEHUAFKBUNZ-CWTRNNRKSA-N 414.329 5.021 0 1 HKAF CCCC[C@@]1(c2cc(OC)c(OC)c(OC)c2)CC(c2ccc(Cl)cc2)=NO1 1772612200 SOUJHCXFVGJHTK-QFIPXVFZSA-N 403.906 5.576 0 1 HKAF COc1ccc(CC[C@H]2C[C@@H](c3ccc(OC)cc3)Oc3cc(OC)ccc32)cc1 2356284352 YBTNREBQAFMKBX-CPJSRVTESA-N 404.506 5.953 0 1 HKAF CCC(CC)C(=O)NC[C@@H]1C=C(C)[C@@H](Cc2nc3ccccc3n2C)C[C@H]1C(C)C 2356517780 UMNZEXQWGGNIOP-FSSWDIPSSA-N 409.618 5.523 0 1 HKAF C[C@@H]1[C@H](O)CC[C@@H]2[C@@H]3CC[C@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]12C 2356568840 FRRPUSYZJQBRAG-JGEHPUAISA-N 414.718 7.859 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3 2356582495 KLLFGBWPBOBVAC-XFVKPCPDSA-N 414.718 8.025 0 1 HKAF CCOc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)NC2CCCC2)cc1 774528 FMMXSCYILROFTE-UHFFFAOYSA-N 410.901 5.733 0 1 HKAF COc1cccc(/C=C/c2cccc3cc(NS(=O)(=O)C(F)(F)F)ccc23)c1 13560084 AGZGVZURSIWOCV-CMDGGOBGSA-N 407.413 5.280 0 1 HKAF FC(F)(F)c1cc(COC[C@@]2(c3ccccc3)CCCNC2)cc(C(F)(F)F)c1 13781111 JCQSGNUMUCYWTO-LJQANCHMSA-N 417.393 5.562 0 1 HKAF CCN1CN(CC)[C@@H](c2c(Cl)cccc2Cl)[C@@H]1c1c(Cl)cccc1Cl 28765108 UZKYVLKKPPJPBE-OALUTQOASA-N 418.195 6.698 0 1 HKAF CCOP(=O)(OCC)C(CCOc1ccccc1)P(=O)(OCC)OCC 29222692 GHDCMYVFZRDYIA-UHFFFAOYSA-N 408.368 5.314 0 1 HKAF C[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O 35932645 VVAOLEXIZKGWNQ-SHYXNPHQSA-N 402.619 6.063 0 1 HKAF CC(C)C[C@H](C)NC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 45368409 ZFEDHTPDUDQCFL-XHDPSFHLSA-N 408.386 5.330 0 1 HKAF COc1cc(-c2ccccc2C)c(Cl)cc1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 49785574 UJXPNHJXBUDOGG-GKVSMKOHSA-N 411.973 6.365 0 1 HKAF O[C@@H](c1ccc(F)c(Cl)c1)c1nnc(Nc2cccc(OC(F)(F)F)c2)s1 82084135 DHCAXBCCRZKEHR-ZDUSSCGKSA-N 419.787 5.055 0 1 HKAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2ccc(F)cc2)C1 82139819 ZGUMREAGTIRXSI-MOPGFXCFSA-N 424.564 5.170 0 1 HKAF CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4[C@@H](CC[C@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@]12C 85506037 ZHDRLFGZQZCZKX-CQMHASCCSA-N 410.730 9.054 0 1 HKAF CCCCCCS(=O)(=O)n1c2ccc(Cl)cc2c2ccc([C@H](C)C(=O)O)cc21 95557616 QUTWXVXLTJHYTG-AWEZNQCLSA-N 421.946 5.394 0 1 HKAF O=P(O)(O)[C@@H](O)c1ccc(-c2cccc(Cc3ccc(Cl)c(Cl)c3)c2)cc1 96284985 LHUDTGAYGOAXLJ-HXUWFJFHSA-N 423.232 5.420 0 1 HKAF CCOC(=O)[C@@](C)(Cc1ccccc1)c1ccnc2c(-c3ccccc3Cl)cnn12 115650333 LMLXWAXYSRKAEI-DEOSSOPVSA-N 419.912 5.113 0 1 HKAF C[C@@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O 118913120 NIQOQQMAUFLELB-KMPPVSSLSA-N 414.630 7.144 0 1 HKAF in-vitro COc1ccnc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1ccc2oc3ccccc3c2c1 139843583 KZHOUIVIZGUISG-KXBFYZLASA-N 416.477 5.108 0 1 HKAF O=C(Nc1ccc2[nH]ccc2c1)c1cc2cc(F)ccc2n1Cc1cccc(F)c1 148818325 OCSHTBUKRNOLMC-UHFFFAOYSA-N 401.416 5.701 0 1 HKAF Cc1cc(OCCCCOc2ccc(C(=O)CC(C)C)c(O)c2C)ccc1C(=O)O 169351426 SZENSIMCFJFUGR-UHFFFAOYSA-N 414.498 5.174 0 1 HKAF C/C=C(\C)c1cc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc([C@@H](C)CC)c1O 169686961 IEDSYUOFZVSLKU-BNSMALCHSA-N 405.542 5.870 0 1 HKAF COc1ccc([C@H]2C[C@]3(N4CCCCC4)CC(=O)[C@@H]2[C@H](c2ccc(OC)cc2)C3)cc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c1cc(-c2noc(-c3ccc(O)cc3)n2)ccc1Oc1ccc(C(F)(F)F)cc1 473155230 QNTXFTJEMLRZJZ-UHFFFAOYSA-N 413.355 5.503 0 1 HKAF Oc1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2cccc(F)c2)n1 473159864 XXZITXCEDDELND-UHFFFAOYSA-N 422.459 6.388 0 1 HKAF Cc1ccc2ccccc2c1-c1nc2c(I)cnc(Cl)c2[nH]1 586884686 XEUXXIUVQNWSBK-UHFFFAOYSA-N 419.653 5.345 0 1 HKAF Cc1cc(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)ccc1Br 586977933 WBBFNTOHANKCJJ-UHFFFAOYSA-N 420.179 5.274 0 1 HKAF N[C@H](Cc1nc2ccc(Oc3ccccc3)cc2[nH]1)c1ccc(Br)cc1 586996479 GJYMZQXCAPLQPD-GOSISDBHSA-N 408.299 5.360 0 1 HKAF Clc1cnc(Br)c(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)n1 587005462 JCZZEXUAYYNEGL-UHFFFAOYSA-N 415.678 5.015 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)cncc4[nH]3)c21 587032114 YXSFJJMIDYVGDZ-LLVKDONJSA-N 413.344 5.679 0 1 HKAF Fc1cc2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2cc1Br 587075974 GVSMOVPHJMJBKN-UHFFFAOYSA-N 402.654 5.847 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(C)c(C)c4[nH]3)c(Cl)cc12 587078460 RUDWMNAOBCESJS-CQSZACIVSA-N 410.901 6.032 0 1 HKAF Cc1c(-c2ccc(OCC(F)F)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587103653 MOVBMDKUEWMZMY-UHFFFAOYSA-N 401.412 6.066 0 1 HKAF CC/C=C\C[C@@H]1c2nc3cccc4c3c(c2C[C@H]1CC(=O)OC)-c1ccccc1C4=O 587105977 CTDKYTATLLYGLI-FEFZKZJHSA-N 411.501 5.622 0 1 HKAF Fc1ccc(/C=C\c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(F)c1 587151475 ZZMZOVVQZSWLQQ-RQOWECAXSA-N 419.147 5.673 0 1 HKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(Br)cc3[nH]2)c1 587239479 ZRVXANXAYRNVGS-UHFFFAOYSA-N 407.315 5.935 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCNc3cc(Cl)ccc32)[C@@H]1c1ccc(F)cc1 587327533 GYPBLRSBTARTPI-ISKFKSNPSA-N 423.871 5.645 0 1 HKAF C[C@]1(c2cc(F)c(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331925 KMUSWXJNKMCLBQ-RBBKRZOGSA-N 402.343 5.223 0 1 HKAF COc1cccc(-c2cc(-c3cc4cc(F)ccc4[nH]3)nc3c2oc2ccccc23)c1 587360212 LTLYUVCBTSZHDS-UHFFFAOYSA-N 408.432 6.944 0 1 HKAF CCCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1Cc1ccccc1 587366532 VDVBUCIWFVIGSR-UHFFFAOYSA-N 407.513 7.200 0 1 HKAF Cc1ccc(SC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587369636 MRASQVYFEIJJJT-ISKFKSNPSA-N 408.494 5.750 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1Cl)(C1CC1)O2 587375956 GBHFSRYAVKEOQG-LJQANCHMSA-N 406.707 5.264 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccc(F)c(F)c1)(c1ccc(Cl)cc1)O2 587385314 MZTZMIFJUCVRFT-HSZRJFAPSA-N 413.851 5.612 0 1 HKAF CNc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421141 TXSANSWAWFWNMX-NTKDMRAZSA-N 405.881 5.082 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1cccc(Cl)c1C)CC2=O 587459995 KEBWSCYSJMHGOP-QFIPXVFZSA-N 401.890 5.059 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc3c1CCN3C(=O)OC(C)(C)C)CC2=O 587476412 TYRSEEFAXDOXIG-QFIPXVFZSA-N 423.509 5.349 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1cccc(C)c1)([C@@H](CC)C(=O)OCC)CC2=O 587479337 HSGVPBIRMQXASA-CPJSRVTESA-N 410.510 5.103 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3ccc(Br)cc3s1)CC2=O 587493286 DFNJWYNDKIYNTC-QGZVFWFLSA-N 417.324 6.028 0 1 HKAF O=C1C[C@H](c2ccccc2-c2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587507278 LHUVKFRDMFBQKW-XMMPIXPASA-N 422.446 6.958 0 1 HKAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cccs1 587530793 HPVFHMMXUCICBS-HSZRJFAPSA-N 420.530 5.921 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc(C(F)(F)F)c1 587546238 IOYBZWJCBFAMIJ-XLIONFOSSA-N 420.770 5.767 0 1 HKAF COc1cccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 587603066 ZRKUTJFNYYWIOT-SHQCIBLASA-N 424.452 5.771 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1ccc(O)cc1 587607921 IVJCEBBCIBRERN-SHQCIBLASA-N 424.452 5.198 0 1 HKAF COc1ccc(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587691953 FJLGWOABQOYUMZ-NSPYISDASA-N 412.730 5.242 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C(F)(F)F)c1 587710107 FHYIRNZYZWGOIO-BTDLBPIBSA-N 402.229 5.539 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2C(F)(F)F)N1 587714560 VXWNEQSUAVNSEB-PWJLMRLQSA-N 406.192 5.370 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(Br)c2)N1 587719775 QOWGKBXFHYCCEB-BCTVWOGZSA-N 417.091 5.113 0 1 HKAF CC[C@@]1(c2c(F)cc(F)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587721709 QFUJRPXHAODETO-DYBLOJMWSA-N 402.229 5.193 0 1 HKAF CC(=O)c1cccc(CC[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F 587725993 HEECRGQOJLAMCS-NSPYISDASA-N 408.286 5.138 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2[nH]c2ccc(F)cc32)N1 587728492 FNODTDATWBEKHW-FIKIJFGZSA-N 417.297 5.323 0 1 HKAF COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc12 587807097 JUBLUMKUWBGZIJ-XMHCIUCPSA-N 414.318 5.548 0 1 HKAF CC(C)CCC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587812840 LFWPMSTZFASIJZ-OPAMFIHVSA-N 404.367 6.192 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC/C2=C/c2cccs2)N1 587849982 CLWZIZRYQPIUQS-LKUIFLIVSA-N 406.364 6.037 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1cc(C)ccc1F 587855701 QLCHVYRNAWVEPR-UHFFFAOYSA-N 424.328 5.948 0 1 HKAF Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874367 XJRDTIHMZROWOW-MRVPVSSYSA-N 414.746 4.873 0 1 HKAF COC(=O)c1cc2nc(Cc3cc(C)ccc3C)[nH]c2c(F)c1Nc1ccccc1 587958850 KSYLESFZFRJLPI-UHFFFAOYSA-N 403.457 5.440 0 1 HKAF C[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)Nc2ccc(Cl)cc2)[C@@H]1c1ccccc1 957608715 IHUXVDGMZLQOMQ-UWSIMGETSA-N 418.924 6.265 0 1 HKAF CC(C)c1ccc([C@]2(c3ccc(N)cc3)NCCc3cc(-c4ccccc4)ccc32)cc1 962672398 XEKZZLJHDHAAHJ-SSEXGKCCSA-N 418.584 6.497 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@]2(CCc1ccc(Cl)cc1)c1ccccc1 963100655 CGZVLUFZCWRTHV-RSXGOPAZSA-N 405.944 6.376 0 1 HKAF CC(=O)N(c1ccc(C)cc1)c1nc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cs1 963103518 LBZCNPKCOZAHLP-REWPJTCUSA-N 421.541 5.385 0 1 HKAF COc1ccc([C@@H]2C[C@]3(c4ccc(F)cc4C[C@@H]4CCCN43)c3ccccc3O2)cc1 963103944 OWTDDCAVGGNBPA-PUUVEUEGSA-N 415.508 5.622 0 1 HKAF Clc1ccc([C@]2(c3ccc(Cl)nc3)NCCc3cc(Cl)ccc32)c(Cl)c1 963390214 GYOJCSMFQCQUGE-HXUWFJFHSA-N 424.158 6.133 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CCC[C@@H]1c1ccc(Cl)c(Cl)c1 963610392 OZFHIKCWTKNVGX-JWCWZOIMSA-N 406.353 5.708 0 1 HKAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCC(F)CC1 1772621680 LUWPGLSYMNTTAE-UHFFFAOYSA-N 419.378 5.015 0 1 HKAF Oc1cccc(-c2cc(-c3ccccc3C(F)(F)F)nc3c2Cc2ccc(O)cc2-3)c1 1857551763 AVPDYVNEUSFSOY-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF O=C(Nc1cccc(F)c1)N1CCC2(CC1)OCc1cc(-c3ccco3)ccc1O2 1857576018 ZDVAIQVYDLKGIU-UHFFFAOYSA-N 408.429 5.019 0 1 HKAF Clc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccccc2)cc1Cl 1857609718 SSDAREKBNWSBBZ-DEOSSOPVSA-N 407.344 6.622 0 1 HKAF O=C(Nc1cncc(-c2cc(-c3cccnc3)cs2)c1)c1ccc(F)cc1Cl 1857770644 MNVYSRKCRUARIH-UHFFFAOYSA-N 409.873 5.917 0 1 HKAF O=C(O)C1=CC[C@@H]2C[C@@H]3[C@H](CC[C@H](O)C=CC=Cc4ccccc4)[C@@H]4C=C[C@@H]1[C@@H]2[C@H]43 2356401879 ROFUKMLUAVIQAH-OXJSMCQWSA-N 402.534 5.112 0 1 HKAF CC(C)=C[C@@H](CO)C(C)=CCCC(C)=CCC[C@]1(C)CCc2cc(O)cc(C)c2O1 2356417933 QTEJGXGKZMMAET-RPLLCQBOSA-N 412.614 6.812 0 1 HKAF CC(=CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@@H]1CC3)C(C)C 2356517260 CHNFUJXCFBEAFX-BDZNLJBCSA-N 412.702 8.089 0 1 HKAF COc1ccc2c3c(c(=O)oc2c1)[C@](C)(CCC=C(C)Cc1cc(C)co1)[C@H](C)O3 2356597146 VQRPFWMTIIMDKU-SSOJOUAXSA-N 408.494 5.711 0 1 HKAF CC(C)C=C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356712326 ZCGQXKHIMLRISN-PGNQIHQHSA-N 402.619 5.148 0 1 HKAF COC(=O)C/C=C/[C@@H](C)[C@H](OCc1cccc(-c2ccccc2)c1)C1CCCCC1 7992063 JNZGOIOYRDXORR-USLFTCRASA-N 406.566 6.575 0 1 HKAF COc1ccc(NC(=O)c2cc(N)ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 13557983 ZUVRNEXUNNBKAD-UHFFFAOYSA-N 417.509 5.080 0 1 HKAF Cc1nc(-c2ccc(-c3ccccc3S(=O)(=O)Nc3onc(C)c3C)cc2)oc1C 13809628 OJUNZBGNMUTVGC-UHFFFAOYSA-N 423.494 5.031 0 1 HKAF COc1cccc(-c2cc(Oc3c(Cl)cc(CC(=O)O)cc3Cl)ccc2O)c1 14969236 GHFDFTOECTVGNW-UHFFFAOYSA-N 419.260 5.794 0 1 HKAF N[C@@H](CC[C@H](N)c1c(Cl)cc(O)cc1Cl)c1c(Cl)cc(O)cc1Cl 26184818 ZHBIHSVEPJVJMD-KBPBESRZSA-N 410.128 5.191 0 1 HKAF Cc1ccc(C(=O)c2cccc([C@@H](C)CN3CCCC[C@@H]3CC3CCCCC3)c2)cc1 29414075 AOIPFTOSYMPHIE-NEKDWFFYSA-N 417.637 7.154 0 1 HKAF O=C(c1ccccc1)N1Cc2ccccc2[C@@H](c2ccccc2Cl)c2ccccc21 34024169 VVTVSWQIBNGCLW-SANMLTNESA-N 409.916 6.681 0 1 HKAF CC(C)N(C(=O)[C@@H]1CC[C@H]2[C@H]3CC=C4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 34801266 DXSCVNXGNJVZAB-OQEFBVQPSA-N 412.618 5.013 0 1 HKAF COc1cccc(C[C@@H](c2ccccc2)N2CCN(C3CCCCCCC3)CC2)c1 39233836 WMGFPHLGGKJDSZ-MHZLTWQESA-N 406.614 5.710 0 1 HKAF COc1cccc(C(=O)[C@H]2c3ccccc3-c3ccccc3N2C(=O)c2ccco2)c1 40976047 NJABPDGCUKDCGF-XMMPIXPASA-N 409.441 5.540 0 1 HKAF O=C1/C(=C/c2ccccc2Cl)c2ccccc2N1c1c(Cl)cccc1Cl 42888301 IMDOTPAZGALFAU-NTCAYCPXSA-N 400.692 6.866 0 1 HKAF CCc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2c2nc(Cl)cc(Cl)n2)cc1 58603562 DMRGZVLKCVGCLG-QFIPXVFZSA-N 423.347 5.979 0 1 HKAF Clc1ccc([C@H]2C[C@H]3CC[C@H](S3)[C@H]2c2cc(-c3ccccc3)no2)cc1Cl 66100972 KWPJGSRDVFKINU-ZPGKAZOCSA-N 416.373 7.184 0 1 HKAF COc1ccccc1[C@@H]1N=NC(C2=C(O)c3ccccc3C2=O)=C[C@@H]1c1ccccc1 68582454 QQLADQBGQNDNSN-YKSBVNFPSA-N 408.457 6.035 0 1 HKAF biogenic Cc1ccc(Oc2ccc(NC(=O)c3cc(Cl)cc(Cl)c3O)cc2Cl)cc1 72113518 YYXUKRAFUKDNRZ-UHFFFAOYSA-N 422.695 6.705 0 1 HKAF Cc1cccc(-c2nc(NC3CCCCC3)ncc2C(=O)NCc2ccccc2)c1 82146424 NDNCWUWZSGUFRN-UHFFFAOYSA-N 400.526 5.127 0 1 HKAF CNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(C(C)C)c4)ncc3c2)ccn1 82152988 AIABXHFALAUHBW-UHFFFAOYSA-N 413.481 5.044 0 1 HKAF NCCCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 82154656 UYMTYNVKQWDVSC-UHFFFAOYSA-N 403.526 5.469 0 1 HKAF COc1cccc(-c2ccc(NS(=O)(=O)c3ccc4cc(OC)ccc4c3)cc2)c1 82156733 YTKBMDAKISCPDR-UHFFFAOYSA-N 419.502 5.325 0 1 HKAF CCCCCc1nc(-c2cnc(N(C)CC(C)C)nc2-c2ccc(F)cc2)oc1C 82225287 SOVVHNLWLDAXOW-UHFFFAOYSA-N 410.537 6.071 0 1 HKAF COc1ccccc1[C@H]1c2ccc3ccccc3c2Oc2nc3c(c(N)c21)CCCC3 95561383 GRXDSRZJHKMWBO-QHCPKHFHSA-N 408.501 5.990 0 1 HKAF C=C(c1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1-c1ccc(F)c(F)c1 95593264 WIEODBOKJYXUNP-UHFFFAOYSA-N 412.432 5.728 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccc(-c2ccccc2)cc1 98176770 UZOWSDQSAIZVCO-QFIPXVFZSA-N 401.506 5.625 0 1 HKAF CC1(C)COP(=O)([C@H](OC(=O)COc2ccccc2Cl)c2ccccc2)OC1 103215321 UEGUAKMEBVRFJK-IBGZPJMESA-N 424.817 5.227 0 1 HKAF CSc1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)cc1 103887731 SCHFMHXUXFPLTO-VOIUYBSRSA-N 418.587 7.099 0 1 HKAF c1cc(-c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)ccn1 117694018 JBWJGEZTYVAWBR-UHFFFAOYSA-N 407.481 5.295 0 1 HKAF C[C@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O 118913660 OQIJRBFRXGIHMI-PKDMNJSQSA-N 420.678 5.412 0 1 HKAF endogenous,in-man CNCCCn1c(-c2ccccc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1C 203551097 UDRDOMKPKRJRIH-UHFFFAOYSA-N 415.459 5.344 0 1 HKAF FC(F)(F)c1cccc(CNc2n[nH]c(Nc3cc(Cl)cc(Cl)c3)n2)c1 220840521 KSSBJVLKJFWZKS-UHFFFAOYSA-N 402.207 5.486 0 1 HKAF Cc1ccc(F)c([C@@H]2[C@@H]3C=CC[C@H](c4ccccc4)[C@H]3C(=O)N2Cc2ccccc2)c1 253977415 JKQUHEGFTUFCCP-CIMSBJEKSA-N 411.520 6.194 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4C[C@@H](O)CC[C@H]4[C@H]3CC[C@]12C)C(C)C 255245846 NJKOMDUNNDKEAI-FYJAMMGPSA-N 414.718 8.025 0 1 HKAF COC(=O)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 255259518 PMSBFIOIWUJZFP-LZYUMYSESA-N 414.630 6.360 0 1 HKAF CC(C)(C)CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 261115718 ISELLYVTONRQOI-AQYVVDRMSA-N 424.629 6.114 0 1 HKAF CSc1cccc(N(C)C(=N)Nc2ccc(Br)c3ccncc23)c1 299835079 LOYJYMGTCCLZKL-UHFFFAOYSA-N 401.333 5.202 0 1 HKAF Cc1ccc(Nc2ncc([C@H](NC(=O)c3nccs3)C(C)(C)C)cc2Cl)cn1 473111469 ZSBRNBKGSNMERU-INIZCTEOSA-N 415.950 5.156 0 1 HKAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c2)cc1 586879001 CIJWDYMBXMCWCL-UHFFFAOYSA-N 420.537 7.251 0 1 HKAF Oc1ccccc1C1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CC1 586897229 VWZLPCQQMNMUEC-UHFFFAOYSA-N 413.193 5.010 0 1 HKAF CCCCOc1cc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1Br 586902353 KPBZDEBWTUPAHJ-KBXCAEBGSA-N 401.304 5.073 0 1 HKAF Cc1onc(-c2ccccc2)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989807 QYAKGULYHHTAAF-UHFFFAOYSA-N 404.425 5.782 0 1 HKAF Cc1nc2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc2cc1Br 587124094 IENDVRCWWUBNOY-QPJJXVBHSA-N 414.250 5.811 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1F 587151014 OIONWPVMHNOUJA-IBGZPJMESA-N 408.301 5.566 0 1 HKAF C[C@@]1(c2cc(F)c(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328159 AYEHWLYIGIZMAA-UGKGYDQZSA-N 402.343 5.223 0 1 HKAF CCc1ccc([C@@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587352033 IDFRURLOHYKFGF-AZGAKELHSA-N 404.481 6.004 0 1 HKAF COc1cccc(-c2cc(-c3ccc(N)cc3Cl)nc3c2oc2ccccc23)c1 587357443 JDDYXNJYHJYLIZ-UHFFFAOYSA-N 400.865 6.559 0 1 HKAF COc1cccc(-c2cc(-c3ccc(N(C)C)cc3O)nc3c2oc2ccccc23)c1 587361398 ZVVGXSOWNKVDBR-UHFFFAOYSA-N 410.473 6.095 0 1 HKAF CCOC(=O)[C@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)[C@H](C)C1 587362601 KKURYFWPWRCASU-NVXWUHKLSA-N 415.489 5.886 0 1 HKAF Cc1sc2ccccc2c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587376636 XTZOYRGUVPUSDU-UKILVPOCSA-N 418.489 6.329 0 1 HKAF COc1cc2c3c(c1)O[C@](c1cc(F)ccc1F)(c1ccccc1Cl)[C@@H](C2)C3=O 587424873 WRYWEJLZXZDVBA-SBUREZEXSA-N 412.819 5.318 0 1 HKAF O=C1C[C@H](c2ccc3cc(Br)ccc3c2)Oc2c1ccc1c2CCCC1 587499268 SFGIRIAZTMRXSO-JOCHJYFZSA-N 407.307 6.188 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@]2(CC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2)C1 587519014 SXOKTUFJASSFBC-DQEYMECFSA-N 411.542 5.081 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1c(Cl)cccc1Cl 587547021 RYQPICMQUKHIOD-AZUAARDMSA-N 415.272 5.662 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(Cl)nccc2c1 587553718 VHCHIXVPIYEAMP-SIKLNZKXSA-N 403.821 5.297 0 1 HKAF C[C@]1(c2ccc3c(c2)Cc2ccccc2-3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601525 GQJQDXGYCBQPAT-LBNVMWSVSA-N 420.464 5.840 0 1 HKAF CC(C)[C@@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615347 XEOLWEGUCCDXJA-RXVVDRJESA-N 400.883 5.620 0 1 HKAF CCOC(=O)C(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2ccc([C@@H](C)CC)cc12 587639894 FHCJAAUZPSPIPW-LBPRGKRZSA-N 418.320 6.401 0 1 HKAF O=C(c1cc(Cl)cc(Cl)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587656956 NPLSTIXSOUOYKK-UHFFFAOYSA-N 413.235 5.198 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(C(F)(F)F)N1 587707892 XXSDOWOMUWYHRE-DIFFPNOSSA-N 402.229 5.123 0 1 HKAF CC[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587709621 BTYQLINKXHGDRY-BBATYDOGSA-N 416.256 5.795 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(-c3ccccc3)no2)N1 587793858 LWXPCKVNDUGVDF-FKIZINRSSA-N 401.279 5.041 0 1 HKAF CCO[C@H](C)c1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587794736 POEZXCMRXIDEIT-ZMOMAAQPSA-N 406.339 5.483 0 1 HKAF COc1ccc([C@@]2(CCC(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587808692 OGMWBNYIUBPVIO-IVZQSRNASA-N 420.366 5.811 0 1 HKAF O=C(O)c1ccc(-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)cc1 587923535 VFJARTBOTQDRPD-UHFFFAOYSA-N 414.461 6.463 0 1 HKAF COc1cccc(Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 587929688 CXSPJAZTVBUDAK-UHFFFAOYSA-N 423.310 5.504 0 1 HKAF COc1ccc(-c2cc(O)n(-c3cc(OC(C)C)c(Cl)cc3Cl)c2O)cc1 587943387 YVIIXXGHKPSRPI-UHFFFAOYSA-N 408.281 5.658 0 1 HKAF O=C(NCc1ccco1)N1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1ccco1 618019062 OLMUUHJYIUYBOH-JOCHJYFZSA-N 403.438 5.412 0 1 HKAF C[C@H](CC1CCCCC1)[C@@H]1c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961779607 GQJLLHIUNSKXEO-HOYKHHGWSA-N 412.618 6.486 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(-c3cnc(OC)cc3C)s2)N1 962962922 YUAOZSLCJNNADD-IZHWHUGBSA-N 403.551 5.622 0 1 HKAF Cc1cc(F)ccc1-c1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)o1 962973367 KLIXTDMTBYPZGX-QRWLVFNGSA-N 421.802 5.014 0 1 HKAF Cc1ccnc([C@@]2(c3ccc(C(C)C)cc3)c3c(F)cccc3C[C@@H]3CCCN32)c1 963104690 IICUEGMDZADBMV-HOFKKMOUSA-N 400.541 5.965 0 1 HKAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(C)c1sccc1C 963904047 NREGFAYAYSEWDZ-UZUQRXQVSA-N 415.555 5.265 0 1 HKAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2C1(C)CCCCC1 963904088 OMXJYFWEQPSNRF-NQIIRXRSSA-N 401.547 5.643 0 1 HKAF O=C(OCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)[C@@H]1CN2CCC1CC2 1857547262 BLFDLFBLCZXAQW-HXUWFJFHSA-N 405.325 5.231 0 1 HKAF COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)C)cc23)CC1 1857560230 KVJNSWIBANBSKY-UHFFFAOYSA-N 420.532 5.047 0 1 HKAF O=C(Nc1ccc(F)c(-c2nc3cc(-c4ccccc4)cnc3[nH]2)c1)N1CC[C@@H](F)C1 1857573270 CJZYDCJHXCPUHV-MRXNPFEDSA-N 419.435 5.007 0 1 HKAF CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](c3ccco3)Nc3c(ccc4c3CCCC4)[C@@H]21 1857590013 BXUYGSHOORFKCF-YFXJRYMSSA-N 408.542 6.013 0 1 HKAF O[C@H](CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 1857635398 KYMGYOATABWYJM-RUZDIDTESA-N 420.984 5.171 0 1 HKAF Clc1ccc(-c2nn(-c3ccccc3)cc2Cn2cc(-c3ccccc3)nn2)cc1 1857762519 ARTSZPCAGZLCDU-UHFFFAOYSA-N 411.896 5.500 0 1 HKAF CC(=CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356479767 CTWRZEHGRSDRPG-QLZKPUITSA-N 412.702 7.801 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CCC2=C3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C)C(C)C 2356507864 IZXQUMVHHUTUOE-BOBZEBADSA-N 412.702 8.089 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC(C)(C)[C@@H]2CC=C(C)[C@H](CC[C@@H](C)CC(=O)O)[C@]2(C)C1 2356575201 FIDMJZXGMPOOHA-YZSDQEEOSA-N 404.591 6.164 0 1 HKAF C=CC(=CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 2356628444 UEWMGQVBSUKDSE-ADFYZVDGSA-N 410.686 7.721 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CC[C@@]1(C)[C@@H]2CCC=C(C)[C@@]2(C)CC[C@H]1C 2356782315 DPSRVOWVSJLMOX-WSAILGMDSA-N 423.649 5.798 0 1 HKAF CC(C)=CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@@]21C 2356809865 ATUXXZWQMBABQB-MRQOFVDISA-N 416.646 5.252 0 1 HKAF CC(C)=CCc1c(O)cc2oc3c(c(=O)c2c1O)[C@@H](C=C(C)C)Oc1cc(O)ccc1-3 3872947 PWHGUSAQRRPLSJ-LJQANCHMSA-N 420.461 5.485 0 1 HKAF biogenic,in-vitro Ic1cccc(CNc2c3c(nc4ccccc24)CCCC3)c1 6583635 ZUCWQTWGZGIYPV-UHFFFAOYSA-N 414.290 5.330 0 1 HKAF in-vivo COc1ccc2c3c(oc2c1CC=C(C)C)-c1cc(CC=C(C)C)c(O)cc1OC3 13485440 NEMBSOAQFIXBRX-UHFFFAOYSA-N 404.506 6.724 0 1 HKAF biogenic O=C1C[C@](CC2CCCCC2)(c2ccccc2)OC(=O)[C@H]1SCc1ccccc1 13766430 MEARHPXCXSFRJA-UKILVPOCSA-N 408.563 5.670 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(F)c(C)c1)Oc1ccc(F)cc1-3 13777170 NJABZHTZWQUIIY-VWLOTQADSA-N 403.472 7.029 0 1 HKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)O[C@@](C)(CO)[C@@H]1CC[C@@H](CO)C[C@@H]21 13781098 WRLLNWFSIGDIRC-ILDDTBCLSA-N 404.591 5.276 0 1 HKAF Cn1c(=O)c(-c2ccc(-c3ccccc3)cc2)cc2cnc(Nc3ccccc3)nc21 13781718 JRPILPQRYRFPBA-UHFFFAOYSA-N 404.473 5.406 0 1 HKAF Cc1cccc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)cc2)n1 14977098 JPMPBRCMWMZEJM-NRFANRHFSA-N 417.505 5.409 0 1 HKAF Fc1ccccc1CN[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 27636427 AWHGFLZRMMYOLB-KAYWLYCHSA-N 400.541 5.210 0 1 HKAF CCC(CC)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)NC3CCCCC3)CN(C)[C@@H]1C2 27741848 SQSKNARZKWOPEW-RZPHLTDDSA-N 421.629 5.411 0 1 HKAF CC[C@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc21 28564009 XQWUEDSGGNBHSG-RBBKRZOGSA-N 405.494 5.412 0 1 HKAF O=c1[nH]nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccc(Br)cc1 29210669 JSVCKOSZMRAIAK-UHFFFAOYSA-N 403.279 5.533 0 1 HKAF c1ccc(OCCCOc2cccc(-c3cc4ccc(C5=NCCN5)cc4o3)c2)cc1 43021597 MDIPNJLUPUMFAL-UHFFFAOYSA-N 412.489 5.298 0 1 HKAF C[C@@]1(c2ccccc2)CCCN(C(=O)NCc2ccc(-c3cccc(Cl)c3)cc2)C1 49792369 SFAHBRRRIPXYTB-AREMUKBSSA-N 418.968 6.270 0 1 HKAF Cc1ccc(/C=C2\CN(C)C[C@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(C)cc2)cc1 52603532 LESIUXAPNLUCAI-OAHQHCOYSA-N 407.561 5.866 0 1 HKAF c1ccc(CC2CCN(CC3CCN(CC45CC6CC(CC(C6)C4)C5)CC3)CC2)cc1 72181528 JXHAADOFNSGGCD-UHFFFAOYSA-N 420.685 5.870 0 1 HKAF Cc1ccc(CNc2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccccc3)n2)o1 82133781 LDMKHDUKNXDGEK-UHFFFAOYSA-N 420.557 5.411 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(Oc2ccc3nccn3n2)c1 95564080 JSYFYBXDIWICOP-UHFFFAOYSA-N 413.359 5.184 0 1 HKAF Cc1ccc2nc(-c3ccccc3N3C(=O)CS[C@H]3c3ccc(O)cc3)[nH]c2c1 103208348 FUOUCJXQDVTKRX-QHCPKHFHSA-N 401.491 5.023 0 1 HKAF CCc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCO 103225937 QPZXFVYWYPHHQN-DENIHFKCSA-N 412.595 5.410 0 1 HKAF c1cc(-c2cc3c(cn2)[nH]c2ncc(-c4ccc(CN5CCCCC5)cc4)cc23)cnn1 139486185 OIMVBDJSADQAOA-UHFFFAOYSA-N 420.520 5.221 0 1 HKAF CCOc1cccc(F)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2ncc(C)s2)c1 167556509 RIRYXIASDPQCQR-QRWLVFNGSA-N 424.541 5.766 0 1 HKAF O=C1Nc2ccccc2[C@]12[C@@H](c1ccccc1)C(c1ccccc1)=NN2c1ccccc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c1cc(N[C@H]2CC[C@H](c3ccccc3)CC2)ncn1)c1ccc(Cl)cc1 261083572 CCILFHZZYUBIAX-XJABCFGWSA-N 406.961 6.441 0 1 HKAF Cc1ccc(Sc2cc(CCc3ccccc3)nc(O)c2Br)cc1 299821066 IXIITUGKNPPKJE-UHFFFAOYSA-N 400.341 5.795 0 1 HKAF O=[S@](c1ccc(C(F)(F)F)cc1)c1c(O)c(-c2cccnc2)cc2ccccc12 299838345 QEFKDTKXOPFLDU-GDLZYMKVSA-N 413.420 5.793 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2ccc(C(N)=O)cc2[nH]1 586982111 PYMTUOKDOPLLMH-UHFFFAOYSA-N 416.319 5.050 0 1 HKAF FC(F)(F)Oc1cc2[nH]c(-c3cc4c(s3)CCC4)nc2cc1Br 587033442 IMOMKNWPTGSUIU-UHFFFAOYSA-N 403.223 5.441 0 1 HKAF FC(F)(F)c1ccc(Oc2ccc(-c3nc4nc(C(F)(F)F)ncc4[nH]3)cc2)cc1 587113793 LQDLFUMNIYIOHI-UHFFFAOYSA-N 424.304 5.850 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)ccc2F)cc1 587139258 FBBXZMYBMVPRQF-UHFFFAOYSA-N 414.358 6.137 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3c(Cl)cnc(Cl)c3[nH]2)c(Cl)c1 587158147 GCNHQPDBJUMAIK-KRWDZBQOSA-N 422.674 6.226 0 1 HKAF CC[C@H](OC)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587345011 DKZBENJKWZATNG-LLZJGCNPSA-N 420.480 5.903 0 1 HKAF COC(=O)c1cc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c(C)o1 587367676 YQXYAKAXKSFKOY-UHFFFAOYSA-N 413.429 6.012 0 1 HKAF CCCOc1cc(Cl)c([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OCC 587458634 DFLJIPNTEHNSMW-FQEVSTJZSA-N 418.917 5.892 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(Cc3ccccc3F)c1C)CC2=O 587466028 IKFDMLNNOWOHKQ-XMMPIXPASA-N 407.485 5.657 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1cccc(F)c1)CC2=O 587467785 RXYJPHALZWMHAY-DEOSSOPVSA-N 410.872 6.046 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1ccccc1C(=O)O)CC2=O 587489635 OOJHBQYWYOOXIE-SANMLTNESA-N 416.473 5.260 0 1 HKAF O=C1C[C@](c2cc(Cl)ccc2Cl)([C@H]2CCOC2)Oc2c1ccc1c2CCCC1 587502626 DBADIWIQXVODAW-NPMXOYFQSA-N 417.332 5.769 0 1 HKAF O=C1C[C@H](c2c(Cl)ccc(Br)c2F)Oc2c1ccc1c2CCCC1 587509081 WXOHSFYKVYAEIE-MRXNPFEDSA-N 409.682 5.827 0 1 HKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1ccccc1)Nc1ccccc12 587521600 CPKOANUDWNUGLU-SHQCIBLASA-N 409.485 5.162 0 1 HKAF CC(C)=CC[C@H]1C(=O)c2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587522637 GDNNXRRFDXFSHE-IDISGSTGSA-N 414.501 5.164 0 1 HKAF O=C1C[C@@](c2ccccc2)(c2ccsc2C(=O)O)Oc2c1ccc1c2CCCC1 587530726 HDEFQWGTGPLARF-XMMPIXPASA-N 404.487 5.234 0 1 HKAF Cc1nc2sc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c(N)c2c(C)c1C 587538665 RAIIIVMATVMUSZ-DEOSSOPVSA-N 406.551 5.563 0 1 HKAF Cc1cccc2sc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nc12 587656684 JGMHYMRMNYOPTG-UHFFFAOYSA-N 405.429 5.249 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)c(F)c2)(C(F)(F)F)N1 587710928 VLEALMYLLCNIKY-BCTVWOGZSA-N 424.182 5.207 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2N)(C2CCCC2)N1 587745608 GCXGHOGVKHCEEH-LRTDBIEQSA-N 403.339 5.138 0 1 HKAF Cc1ccc(-c2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)o1 587828221 MXRXLESASSYOGI-XUSGNXJCSA-N 400.291 5.780 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccc(O)cc2)N1 587831884 IJQKWJRPYYZJFY-DMZKTXOQSA-N 412.302 5.584 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1cc(C)ccc1F 587865299 TWNBLBSKXLTQTC-UHFFFAOYSA-N 423.435 5.660 0 1 HKAF CCCCc1ccc(-c2ccc(-c3nc(-c4cccc(Cl)c4)cs3)cc2)cc1 587920403 JWSGOTBYVYKHGP-UHFFFAOYSA-N 403.978 8.140 0 1 HKAF COc1cccc(C(=O)c2ccc(-c3nc4c(C)cc(Br)cc4[nH]3)cc2)c1 587930608 DSIYBDARQQGSDN-UHFFFAOYSA-N 421.294 5.540 0 1 HKAF COc1ccccc1-c1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cc1 587930612 FIDANGGWLQSOOK-UHFFFAOYSA-N 402.803 6.578 0 1 HKAF COc1cccc(C(=O)c2ccc(-c3nc4c(Br)cc(C)cc4[nH]3)cc2)c1 587932732 PUBWBLIJEPBGKR-UHFFFAOYSA-N 421.294 5.540 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c(N)ncnc2[nH]1 587958371 FOZUQEVJRPHUFX-WWMAXSSBSA-N 419.617 6.789 0 1 HKAF CC[C@@]1(Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)CC(=O)c2ccccc2C1 587961085 PTNLFSOIABZSSV-SANMLTNESA-N 410.521 5.162 0 1 HKAF COc1ccc(-c2nc3cc4cccnc4c(Cl)c3n2CC2CCCCC2)cc1 653825879 HSXOYJGWQLEKOR-UHFFFAOYSA-N 405.929 6.494 0 1 HKAF CC[C@H](C)C[C@]1(c2ccc(C3OCCO3)s2)N[C@H](CC)Cc2c1[nH]c1ccccc21 962944205 HFLGYHMRWCEJPD-RJYGXOMWSA-N 424.610 5.879 0 1 HKAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2ccc(Cl)c(Cl)c2)N1 963178878 FDVGHRQSXJQAOJ-GJZGRUSLSA-N 424.633 5.354 0 1 HKAF O=C(O)/C=C/c1ccc(Oc2c(C(=O)c3ccccc3)sc3cc(O)ccc23)cc1 1772656765 VWYAUTFQFSZKIE-MDWZMJQESA-N 416.454 5.728 0 1 HKAF O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2[C@H]1c1ccccn1 1857606057 SIFJGTZNZMRBLF-SFHVURJKSA-N 404.322 5.630 0 1 HKAF Cc1nnc2n1-c1ccc(-c3cnn(C)c3)cc1[C@H](Nc1cccc3ccccc13)CC2 1857607762 QNKXDXGVMGNEJQ-XMMPIXPASA-N 420.520 5.229 0 1 HKAF CC(=O)Nc1ccc(-c2c([C@@H](OC(C)(C)C)C(=O)O)c(C)nc3ccccc23)cc1 1857766573 SUJAVHKQXMKMTR-JOCHJYFZSA-N 406.482 5.109 0 1 HKAF CCC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](OC3=CCCCC3)CC[C@H]12 2356343866 VYAXJSIVAVEVHF-CMSSPHMHSA-N 408.582 6.701 0 1 HKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@@]12C 2356415309 HAJDPRAOKXTNST-DOSGOBMRSA-N 412.614 6.582 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1C[C@H](C)[C@H]2[C@@H]3CC[C@H]4C(C)(C)CCC[C@@]45C[C@]35CC[C@@]21C 2356551990 YWQSXCGKJDUYTL-GOUOSOBHSA-N 410.730 9.054 0 1 HKAF C[C@H]1CCC([C@H](C)[C@@H]2[C@H](O)C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1 2356602684 IWJUNMWYVUJLJD-PPCKUJLFSA-N 414.678 5.450 0 1 HKAF CC(=O)O[C@@H]1CC[C@]2(C)C(=CCC3=C2CC[C@]2(C)[C@@H]3CC[C@H]2[C@@H](C)CCC=C(C)C)C1 2356614738 GCWLDSVUECWZIA-DDJQIDCFSA-N 424.669 7.944 0 1 HKAF CC1(C)C(=O)[C@@H]([C@H](O)c2ccccc2)C[C@]2(C)[C@@H]1CC[C@]13C=C[C@@H](C[C@@H]12)[C@@](C)(O)C3 2356671990 RLGBUTVIBWFTRW-YAISTURWSA-N 408.582 5.085 0 1 HKAF CC(C)=CCCC(=CCCC=CCC[C@]1(C)C=Cc2cc(O)cc(C)c2O1)C(=O)O 2356726401 ZTWCHQMSLJFUPF-AREMUKBSSA-N 410.554 6.739 0 1 HKAF CC(C)(C)c1ccccc1NC(=O)Nc1nc([C@H](N)c2ccccc2Cl)cs1 61908676 SPYXZHMPXOLZJI-GOSISDBHSA-N 414.962 5.786 0 3 HKAF CC(C)(C)c1noc(-c2ccc(F)cc2Cl)c1C(=O)NCCc1ccccc1F 776205 IBBWLAHNXDJUSI-UHFFFAOYSA-N 418.871 5.543 0 1 HKAF Cc1cccc(C(=O)Nc2cccc(NC(=O)c3ccccc3Br)c2)c1 10774144 JAALMXKMZXEBDT-UHFFFAOYSA-N 409.283 5.262 0 1 HKAF COc1ccc(-c2[nH]c3cc(OC)ccc3c2-c2cc(OC)c(OC)c(OC)c2)cc1 13474196 UNHAAYJZPGBHFF-UHFFFAOYSA-N 419.477 5.545 0 1 HKAF Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1COc1ccc(CCC(=O)O)cc1 13489475 CYZPDBCUTFGAPE-UHFFFAOYSA-N 405.372 5.265 0 1 HKAF COc1ccc2c(c1)C(CCCCN1CCN(c3ccccc3OC)CC1)=CCC2 13740667 HBJIMGXWEHAIDQ-UHFFFAOYSA-N 406.570 5.026 0 1 HKAF CCCCCC/N=c1\ccn(Cc2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc12 13741409 CUANNXXZFGNFRJ-YYADALCUSA-N 421.799 7.131 0 1 HKAF COc1cccc2c1-c1ccc3c(c1[C@@H](c1cc(C)cc(C)c1)O2)C(C)=CC(C)(C)N3 13863767 BFFNEJBHCHAMGY-HHHXNRCGSA-N 411.545 7.068 0 1 HKAF CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc4cc(C(=O)O)ccc4c3)c(O)cc21 26725973 QEFSQURYNBYFMM-UHFFFAOYSA-N 402.490 5.824 0 1 HKAF O=C(O)c1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 26955656 HFVLNYRVEUVORU-DHIUTWEWSA-N 403.453 5.251 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@](C)(C[C@@H](O)C3=CC(=O)O[C@@H]3O)CCC[C@]12C 26961044 JSDANYFQRXTLHP-ZOKZFAAQSA-N 406.607 5.224 0 1 HKAF C[C@@H](NC[C@H](Cc1ccccc1)NCc1ccc(F)cc1)c1cccc2ccccc12 26995563 NROYBARDVSLPQI-RLWLMLJZSA-N 412.552 6.031 0 1 HKAF C[C@H](Nc1cc(-c2c(-c3ccccc3)nc3nc(N)ccn23)ccn1)c1ccccc1 27105164 XXCAPLNLONGIPM-KRWDZBQOSA-N 406.493 5.214 0 1 HKAF COCCOCOc1cc2c(c(C)c1C)O[C@](C)(CC/C=C/CCC=C(C)C)CC2 27189604 ZJKYUZNLHFQEKL-QGVYAHRCSA-N 416.602 6.469 0 1 HKAF O=C(O)CCC/C=C\C[C@H]1[C@H]2CC[C@H](C2)[C@@H]1/C=C/[C@H](O)COc1ccc(Cl)cc1 27556161 LXTJSOWJRUNEQA-LEJLCDCBSA-N 418.961 5.499 0 1 HKAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@@H]1N(C)Cc1ccccc1 28242309 DZLXIAFYUJZFJC-LEWJYISDSA-N 405.369 5.790 0 1 HKAF C[C@@]1(C[C@@](O)(CNc2cccc3ncccc23)C(F)(F)F)CCCc2ccccc21 28826283 IDXIGNMGABVLIG-XZOQPEGZSA-N 414.471 5.624 0 1 HKAF Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)c2ccc(Cl)cc2)c1 29321572 HHWIDNBTNNXNRB-UHFFFAOYSA-N 404.941 5.612 0 1 HKAF C/C=C(/CC[C@@H](C)[C@H]1CC[C@@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 30729699 XPRWWANUPMYKMF-DCTZZTOWSA-N 410.686 7.865 0 1 HKAF CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)CO[C@H](c1ccccc1)C1CC1 34294912 GNOTVFACNIFDMT-CLJLJLNGSA-N 403.566 5.279 0 1 HKAF Cc1cc(O)cc2c1O[C@](C)(CC1=C[C@@]3(C)CCC[C@@]3(C)[C@]3(C=CC(C)(C)O3)O1)CC2 34515391 MDBHLEZYLMCUFV-HVWQDESWSA-N 424.581 6.346 0 1 HKAF Cc1ccc(NC2=Nn3c(nnc3-c3cc(F)c(Cl)cc3Cl)SC2)cc1 40862941 ZTIQGFATRCWACP-UHFFFAOYSA-N 408.289 5.079 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C 40897073 HGCLEPLEUUJGID-REBIDWDSSA-N 416.646 5.683 0 1 HKAF COc1ccccc1[C@@H](CCN(C(C)=O)[C@H](C)c1ccccc1)[C@@H]1CCC(C)(C)OC1 64361523 OEXWBBSZVDWIDB-HUVFLSCGSA-N 423.597 5.984 0 1 HKAF CC(C)=CCC/C(C)=C/Cn1cc(CC(N)=O)c2cc(-c3cccc(C)c3)ccc21 64540746 LFENHTSOAKQXAX-DEDYPNTBSA-N 400.566 6.337 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCc2ccc(Cl)cc2)C(C)(C)CCC1 72111292 HCJTVRVSZIGAQD-PPBWNBFDSA-N 424.028 7.488 0 1 HKAF CC[C@H](C)[C@H](Nc1nc(-c2cccc3ccccc23)cs1)C(=O)NCC(F)(F)F 82195274 YWAONWCVBMSGMW-UGSOOPFHSA-N 421.488 5.468 0 1 HKAF COc1cc(Cn2c(-c3ccccc3Cl)nc3cc(C)ccc32)cc(OC)c1OC 95553569 YWNRRGHBQRUPQE-UHFFFAOYSA-N 422.912 5.739 0 1 HKAF CCOc1ccccc1OCCN1CC[C@]2(CC)c3cccc(O)c3C[C@@H]1C2(C)C 101188377 YLRLXTQWRVRUKP-AOYPEHQESA-N 409.570 5.174 0 1 HKAF COc1ccc(CN(CCc2ccccc2)Cc2ccc(C(C)(C)C)cc2)cc1O 103277651 SEQCWAVVHGFCPU-UHFFFAOYSA-N 403.566 5.943 0 1 HKAF CC1CCN(c2c(S(=O)(=O)c3ccc(F)cc3)cnc3cc(Cl)ccc23)CC1 144142256 BGXSOONQBFCRKG-UHFFFAOYSA-N 418.921 5.096 0 1 HKAF Cc1ccc2nc(-c3ccc(N(Cc4ccccc4)Cc4ccccc4)cc3)cn2c1 169350552 AEXFEKNGXBRCGN-UHFFFAOYSA-N 403.529 6.517 0 1 HKAF COc1ccc2c(c1)N[C@@H](c1c(F)cccc1Cl)[C@H]1C(=O)CC(C)(C)CC1=N2 169722087 MUTFGIGDWWSLNP-RTWAWAEBSA-N 400.881 5.732 0 1 HKAF CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1nc2ccc(C)cc2n1C 169722384 YUAWDQIYHMJFCW-RTWAWAEBSA-N 424.335 5.864 0 1 HKAF O=C(O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCCc4c(F)cccc43)nc2c1 200844773 LMEXWDHRQXNPFV-UHFFFAOYSA-N 417.415 5.358 0 1 HKAF C[C@H]1C[C@@H]1c1cc(NC(=O)Nc2cccc(Br)c2)n(-c2ccccc2)n1 204748769 ODWYWUPYYUEYGH-GUYCJALGSA-N 411.303 5.402 0 1 HKAF O=C(O)C[C@H](CC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1)c1ccccc1 217062988 GRSLZTOJSVMRGD-KRWDZBQOSA-N 409.869 5.719 0 1 HKAF COC(=O)[C@H](Sc1nc(C)nc(Nc2ccc(C(C)C)cc2)n1)c1ccccc1 299822955 RIRBNUVQFWLRRI-LJQANCHMSA-N 408.527 5.053 0 1 HKAF Clc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 473127245 ATEFYIZFSCUCFR-UHFFFAOYSA-N 406.938 6.011 0 1 HKAF COc1cc(NC(C)=O)ccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586995350 GASZFHYVOAPTBE-UHFFFAOYSA-N 408.457 5.389 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(OC(F)(F)F)ccc4O)nc13)-c1ccccc1C2=O 586996904 VGWOSJHECLDTNU-UHFFFAOYSA-N 421.374 6.026 0 1 HKAF Brc1n[nH]c2ccc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)cc12 587006558 GWVLGHNFRRXMTR-UHFFFAOYSA-N 421.323 6.020 0 1 HKAF CS(=O)(=O)c1ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c1 587014937 AMUNBXLWWJXLFO-UHFFFAOYSA-N 424.334 5.064 0 1 HKAF Fc1c(Br)cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c1F 587054224 NBMTYQRKLSGXPU-SNAWJCMRSA-N 404.041 6.081 0 1 HKAF CCCCCCc1c(-c2ccc(O)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587102168 STHIEEDYWIAZGP-UHFFFAOYSA-N 421.540 7.250 0 1 HKAF CCCCc1nc2cccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2o1 587105744 HAJGCWPQPQHPOR-UHFFFAOYSA-N 404.469 6.597 0 1 HKAF COCCOCCCc1ccccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107612 RWLUPETZKXLBRK-UHFFFAOYSA-N 423.512 5.709 0 1 HKAF CCOC(=O)[C@@H]1CCCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587362177 FZLMGFBNWWSTKK-GOSISDBHSA-N 401.462 5.640 0 1 HKAF COc1cccc(-c2c(C)c(-c3ccc(OC(C)=O)cc3)nc3c2oc2ccccc23)c1 587365692 NYZWCWUKUJYCHE-UHFFFAOYSA-N 423.468 6.557 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2Oc2ccc(Br)cc21 587374088 XBTFZRWTLXUXNE-QFIPXVFZSA-N 422.278 5.354 0 1 HKAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc(C)cc1 587399358 JJWUWUODWLAGLZ-DEOSSOPVSA-N 417.505 5.570 0 1 HKAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1ccc(C)cc1 587410683 WDMYGLICYRDMDE-XMMPIXPASA-N 419.546 5.893 0 1 HKAF COc1cc2c3c(c1)O[C@@](Cc1ccc(Cl)cc1)(c1cccc(F)c1)[C@@H](C2)C3=O 587426592 DZTZGDNSJGPLJX-RDPSFJRHSA-N 408.856 5.373 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccc(C(C)(C)C)cc4)cc1)[C@@H](C2)C3=O 587440702 CINNFIMWTLMGAG-BKMJKUGQSA-N 414.501 6.274 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1cccc(OC(F)(F)F)c1)(C1CC1)CC2=O 587464295 NPSJSWBJSWEONM-OAQYLSRUSA-N 406.400 5.514 0 1 HKAF CC(C)(C)OC(=O)Nc1ccc(F)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587504903 OHRCVHBKNYOCRC-OAQYLSRUSA-N 411.473 5.758 0 1 HKAF COc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 587522815 HVFCRRFDBVEXLV-HHHXNRCGSA-N 414.501 5.492 0 1 HKAF CCOC(=O)c1sc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1N 587536655 YRAHPSRCMAPCGT-IBGZPJMESA-N 421.518 5.246 0 1 HKAF CCc1ccc2oc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1 587619811 ZLCLYHVLMDCQNA-WIOPSUGQSA-N 400.430 5.578 0 1 HKAF Cc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626966 YWMPTQDSCCSPTH-UHFFFAOYSA-N 412.160 7.488 0 1 HKAF CC[C@]1(c2cc(Cl)ccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587693760 FIBIGQNCJLRPSB-NSPYISDASA-N 412.730 5.438 0 1 HKAF Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cccc1C(F)(F)F 587710970 IEYYQSFCQJFUBC-HUTHGQBESA-N 402.229 5.539 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccccc2C(F)(F)F)N1 587714093 UPKCFVKQBDWVBC-VOJFVSQTSA-N 416.256 5.599 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)c(F)c(F)c(F)c2F)N1 587720130 MRXFFASOAFTAIF-HQRLLJBISA-N 424.182 5.081 0 1 HKAF Cc1cc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2cc1Br 587782495 MTLKATUCRGFSEW-UHFFFAOYSA-N 409.283 5.585 0 1 HKAF CC(C)CCOc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587795801 RQOZONUNFJIZKS-NYHFZMIOSA-N 420.366 5.811 0 1 HKAF Cc1ccc(OCC2CC2)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587805077 GLCONRLHKTUKJY-YEJXKQKISA-N 404.323 5.309 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](Oc3ccccc3)C2(C)C)N1 587812074 PFDDBNKFYYZRNC-DYHNYNMBSA-N 404.323 5.195 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)Cc2ccccc2-3)N1 587815265 LOMXBUNLAARHNU-JBEBIEQOSA-N 422.341 5.957 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3c(s2)CC(C)(C)CC3)N1 587859416 WOPRNFUCNCIBIX-BMLIUANNSA-N 409.368 5.183 0 1 HKAF Nc1ccc(-c2ccc3ncc4nc(O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cc1 653852829 MWQZLHWLIPHOMZ-UHFFFAOYSA-N 420.394 5.547 0 1 HKAF COc1ccccc1[C@@]1(C2CCCCC2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962636714 SVOWABXOBNTNMQ-QYBDOPJKSA-N 409.570 5.413 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@]3(c1ccsc1)c1cccc(C)c1C 963062185 WXZWRWWLXLGYBL-RUZDIDTESA-N 400.547 5.359 0 1 HKAF CC1(C)C[C@]2(c3cc(Br)ccc3O1)c1c(F)cccc1C[C@@H]1CCCN12 963102774 RZDIVHQAMXAGDS-AOMKIAJQSA-N 416.334 5.413 0 1 HKAF O=C(/C=C/c1ccccc1)Nc1cccc(CNC(=O)c2ccc3ccccc3c2)c1 1772597734 HXGARILSLTYFCD-DTQAZKPQSA-N 406.485 5.422 0 1 HKAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCCCCC1 1772600980 YDGBVINIBCLRIA-UHFFFAOYSA-N 415.415 5.457 0 1 HKAF CCCOc1ccc([C@@H]2[C@@H]3C(F)=CC=C(F)[C@@H]3C(=O)N2c2ccn3ccnc3c2)cc1 1772644942 MTQAERATFNWYIK-XPWALMASSA-N 421.447 5.164 0 1 HKAF O=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1)c1c(F)cccc1Cl 1857534367 VGKKFQGJRISWMS-UHFFFAOYSA-N 409.766 6.543 0 1 HKAF COc1cccc2c1N(CCCn1c(C)nc3ccccc31)C[C@@H]1Cc3ccccc3[C@H]21 1857565644 BLWFAAZYSXHQBZ-KDYSTLNUSA-N 423.560 5.568 0 1 HKAF Oc1ccc2cc1Oc1cccc(c1)C=Cc1cccc(O)c1-c1cc(ccc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c2c(cc(C=Cc3ccccc3)c(C(=O)O)c2O)O1 2356636700 RCGUJEUZXALNFO-VWLOTQADSA-N 406.478 5.142 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@@H]3C(=CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@]34C)[C@H]2C1 2356682024 DHMXQDJRIWEARK-DEZOOLIKSA-N 410.686 7.987 0 1 HKAF Cc1ccc(Cc2c(-c3ccc(Cl)cc3)nc3ccc(Br)cn23)cc1 61921033 AFGCSSICNSCFKT-UHFFFAOYSA-N 411.730 6.316 0 3 HKAF Cc1cc(C)cc(NC(=O)c2cnn(-c3ccc(C(C)C)cc3)c2C2CCNCC2)c1 7000499 LBWJINHCNQHNMV-UHFFFAOYSA-N 416.569 5.332 0 1 HKAF CN(C)Cc1ccc(CSCCCCCCSCc2ccc(CN(C)C)o2)o1 13452573 ZRDXAEKCZXNZEQ-UHFFFAOYSA-N 424.676 5.723 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)[C@@H](O)[C@@H](c1ccccc1)O2 15120697 OKUXAUZJIPCHNX-ZGVRNDCASA-N 408.494 5.010 0 1 HKAF CCCc1ccc(OC)c2cc(-c3ccc(-c4cc(C)c(C(=O)O)cc4C)[nH]3)oc12 29470479 NLKXOUNKTTYJCR-UHFFFAOYSA-N 403.478 6.371 0 1 HKAF COc1ccccc1CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 38253377 XSAPJYHPDNRSJN-VWLOTQADSA-N 406.957 5.256 0 1 HKAF CCN(C(=O)CC[C@@]1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21)C(C)C 72109030 NSRYWAJPPUWIAD-XMMPIXPASA-N 407.945 5.346 0 1 HKAF c1ccc(-c2cn(CCCCN3CCN(C4CCCCC4)CC3)c3ccccc23)cc1 72116853 XQHZYDSGAKUASD-UHFFFAOYSA-N 415.625 6.039 0 1 HKAF FC(F)(F)c1ccc(-c2nc(CN(Cc3ccccn3)Cc3ccccn3)co2)cc1 72183467 BAPGAIPASQPKBD-UHFFFAOYSA-N 424.426 5.353 0 1 HKAF CC[C@@H](C)NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc(C)c1 82146850 DZAMPHYQUUJCLX-QGZVFWFLSA-N 422.960 5.288 0 1 HKAF C[C@H](c1ccc2c(c1)c1ccccc1n2C)n1cc(-c2ccc(C(C)(C)C)cc2)nn1 84669430 ILUDOMPKIRNRNV-GOSISDBHSA-N 408.549 6.497 0 1 HKAF CC1(C)C=Cc2cc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)ccc2O1 84689845 RMVXJZBJMUPCEH-UHFFFAOYSA-N 405.519 5.266 0 1 HKAF CC(=O)Oc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccc4ccccc4c32)cc1 103866453 VSPXJDUHYNDPOQ-DEOSSOPVSA-N 411.501 6.615 0 1 HKAF CCCCc1ncc(Cc2ccc3nc(C)ccc3c2)c2cc(OC)c(OC)cc12 145109433 VUVAONBGDDUSEE-UHFFFAOYSA-N 400.522 6.042 0 1 HKAF CCOC1(c2ccccc2)CCN(CC2=Cc3c(Cl)ccc(OC)c3CC2)CC1 169324723 OYQDUQHTYZTCEX-UHFFFAOYSA-N 411.973 5.706 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C(=O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 299847891 WUCNNKCRNQCPRI-CVLYVPQDSA-N 414.674 6.958 0 1 HKAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 586887866 JKUFREXPGQAFCP-MGPLVRAMSA-N 413.237 5.490 0 1 HKAF Cc1cc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2cc1C 586967722 DMKCNGDQPQOPMD-UHFFFAOYSA-N 424.957 5.491 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2cc(F)c(F)cc2[nH]1 586982443 YAWTZEOLFILXHN-UHFFFAOYSA-N 409.274 6.230 0 1 HKAF Cc1nc(-c2ccccc2)[nH]c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989440 IULVWASDZUKLMU-UHFFFAOYSA-N 403.441 5.517 0 1 HKAF CC(C)Oc1cc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2cc1Br 587055891 FLHAFBIFTQGAQP-CQSZACIVSA-N 408.727 5.009 0 1 HKAF Clc1cccc(-c2cc(-c3nc4c(Br)cc(Cl)cc4[nH]3)n[nH]2)c1 587069632 FURFMAAJTPZRAM-UHFFFAOYSA-N 408.086 5.689 0 1 HKAF Cc1ccc(-c2cc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)c3cccc(Cl)c3n2)o1 587083442 UOBDUUYGWAUJJD-UHFFFAOYSA-N 421.815 5.837 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(Oc4ccccc4F)cc3)nc3cccc1c23 587103194 HHROZWXCDLEPKB-UHFFFAOYSA-N 417.439 7.045 0 1 HKAF CCOc1cc(/C=C\c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)ccc1OC(F)F 587131386 ZLKTYIFDTPLERJ-ALCCZGGFSA-N 422.815 5.173 0 1 HKAF Fc1cc2[nH]c(-c3cc(Cl)c(Br)cc3F)nc2cc1Br 587136748 LSDIDFIQFDCOKH-UHFFFAOYSA-N 422.454 5.687 0 1 HKAF CN(C)C(=O)c1ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 587159087 MGSWZHRKLGPPJC-NRFANRHFSA-N 423.875 5.226 0 1 HKAF Cc1nc2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc2cc1Br 587159279 OLQVYWYMCXSTJR-UHFFFAOYSA-N 422.261 5.174 0 1 HKAF CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587162798 DIOQMPUHFXJBOY-OAQYLSRUSA-N 402.498 5.630 0 1 HKAF Fc1ccc(-c2ccsc2-c2nc3ncc(I)cc3[nH]2)cc1 587164180 OIZXBCWFDBCSCS-UHFFFAOYSA-N 421.238 5.097 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)C3(CCCCC3)C1)O2 587400007 NEUCFZDZRBNMAJ-DEOSSOPVSA-N 414.546 5.015 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(F)cc(OCc4ccccc4)cc1F)[C@@H](C2)C3=O 587423502 KYFGAPWVTZGIPX-BXKMTCNYSA-N 408.400 5.041 0 1 HKAF COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440191 AZHMBKRMEJFIPW-CIXCFARBSA-N 412.485 5.077 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)Nc1ccccc1S4)[C@@H](C2)C3=O 587449478 ASOKVZNXUXMLFQ-FYSMJZIKSA-N 401.487 5.566 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(Br)[nH]c3ccccc13)CC2=O 587458542 KWPQGDLXSITWNR-QGZVFWFLSA-N 400.272 5.295 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(OCC)c(OC(C)C)cc1Cl)CC2=O 587462427 ZLFCGSLGQJPGMZ-FQEVSTJZSA-N 418.917 5.891 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccnc1Sc1ccc(C)cc1)CC2=O 587491725 NASNGCNCOWHQIK-JOCHJYFZSA-N 405.519 5.906 0 1 HKAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1Cc1ccc(F)cc1 587504490 HJNCIFYOEDXNQB-VWLOTQADSA-N 403.497 5.878 0 1 HKAF CCCOc1ccc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587505099 UNHJRPKTVITDGW-OAQYLSRUSA-N 415.327 5.823 0 1 HKAF O=C1C[C@H](c2ccc(-c3ccc(F)c(Cl)c3)cc2)Oc2c1ccc1c2CCCC1 587505234 LVZHYOSJALPYPK-XMMPIXPASA-N 406.884 6.731 0 1 HKAF O=C1C[C@](c2ccccc2)(c2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587508752 QLDWJUMVNIHTQL-VWLOTQADSA-N 422.446 6.493 0 1 HKAF O=C1C[C@@H](c2ccccc2-c2ccc(Cl)c(F)c2)Oc2c1ccc1c2CCCC1 587509250 XVNPJLSHEGIHEH-DEOSSOPVSA-N 406.884 6.731 0 1 HKAF O=C1C[C@H](c2ccc(OCCN3CCCCC3)cc2)Oc2c1ccc1c2CCCC1 587511915 AQZZADISELKMKR-RUZDIDTESA-N 405.538 5.137 0 1 HKAF COCCOCCCc1ccccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525317 VETIHGSDRAJJSC-SANMLTNESA-N 408.538 5.042 0 1 HKAF CCCCc1ccc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587528494 ADIYGXZJHCRHDK-AREMUKBSSA-N 406.522 5.634 0 1 HKAF Cc1ccc(Sc2ncccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587530345 CCLUMTBTKJHCIV-QHCPKHFHSA-N 401.531 6.127 0 1 HKAF CC(C)CC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544054 DHVOJGMXBKMIPK-DHLKQENFSA-N 422.908 6.339 0 1 HKAF C[C@]1(Cc2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544679 FTQFCROFCHFKOG-SIKLNZKXSA-N 414.379 5.374 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H]2c1ccc(Cl)cc1 587551822 KHMRHSPRKVQACM-UTSGNWPNSA-N 406.865 5.714 0 1 HKAF C[C@@]1(Cc2cc(Cl)cnc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553190 UERRBFTYSQOWFY-UWJYYQICSA-N 416.260 5.057 0 1 HKAF CC[C@H](C)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587593369 IVXNYRXJWXLZRO-UNGHYCQRSA-N 420.461 5.281 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2c(Cl)cccc2Cl)N1 587691615 HAHQWUFEDCNIDQ-QFYYESIMSA-N 417.149 6.103 0 1 HKAF COc1ccc(C(F)(F)F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587712303 OHQSEIGQEDMIJU-XYZCENFISA-N 418.228 5.239 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2C(F)(F)F)N1 587713281 SKPNUNXJDWMLQL-BMLIUANNSA-N 402.229 5.405 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(F)cccc2C(F)(F)F)N1 587714660 WLJAWMVUXPBBJY-HUTHGQBESA-N 420.219 5.544 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(F)cc2)N1 587737465 XSODQWBOQACRAJ-MPBGBICISA-N 403.270 5.142 0 1 HKAF Cc1ccc(-n2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1C 587755505 AGLYZNRPEUSSET-SZNDQCEHSA-N 414.322 5.014 0 1 HKAF CCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587794608 OXUSQDDSOZHGNJ-MPBGBICISA-N 408.311 5.009 0 1 HKAF CCCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587798149 XPWGOLXIMXSDSU-YUNKPMOVSA-N 408.311 5.009 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccccc3)cs2)N1 587846878 JCQFMRWPBNQXJQ-ODXCJYRJSA-N 402.332 5.940 0 1 HKAF Cc1cc2c(cc1C)[C@@]1(CCS2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587857965 NPPGACXZEYPSAL-RNODOKPDSA-N 406.364 5.479 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2c(C)cc(C)cc2s1 587869608 NLNBHEZVGGUOHY-UHFFFAOYSA-N 404.417 5.188 0 1 HKAF C(=C/c1ccccc1Oc1ccccc1)\c1nc2ccc(OCc3ccccc3)cc2[nH]1 587949862 LRPOZDUCCOZVSZ-OBGWFSINSA-N 418.496 7.105 0 1 HKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587951477 MBQVHZCEPRRZNQ-LBPRGKRZSA-N 420.412 5.150 0 1 HKAF CC(C)CCCCCCCCCCCCCCCCCc1nc2c(N)ncnc2[nH]1 587956859 DDWXIYLOCOQCEV-UHFFFAOYSA-N 415.670 7.375 0 1 HKAF CC[C@]1(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)CC(=O)c2ccccc2C1 587960939 OJXFGHOCGOZMRT-HHHXNRCGSA-N 408.501 5.562 0 1 HKAF CN(Cc1ccc(CN(C)Cc2ccccc2Cl)cc1)Cc1ccccc1Cl 653837903 LTXVTZRYDQHAPV-UHFFFAOYSA-N 413.392 6.257 0 1 HKAF Cc1nn(-c2ccccc2)c(N2CCCC2)c1[C@H]1c2c(F)cccc2C[C@H]2CCCN12 963111474 SBJLSLUGNHTMCI-BWKNWUBXSA-N 416.544 5.030 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@H]2c1cc(F)ccc1Oc1ccc(F)cc1F 963257119 HKCXBYWXRJWDGT-JOCHJYFZSA-N 419.830 5.793 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ccc(C)cc1)c1cc(F)cc(F)c1 963639611 VXSXBYWQWNFILZ-LMKMVOKYSA-N 409.476 5.117 0 1 HKAF O=C1CCS[C@H](c2ccc(F)cc2)N1CCNc1ccnc2cc(Cl)ccc12 1772574006 WLSZSFMXVMRPSV-OAQYLSRUSA-N 415.921 5.104 0 1 HKAF COc1c(-c2cccc([C@H](CC(=O)O)c3nccs3)c2)cccc1C(F)(F)F 1772638977 RCEHYNLGAASVFK-HNNXBMFYSA-N 407.413 5.444 0 1 HKAF Cc1ccc(-c2c(/C=C/c3nc(C(=O)O)cs3)c(C)nc(CC(C)C)c2CN)cc1 1772645143 UAXIHHOBAFCLQP-MDZDMXLPSA-N 421.566 5.348 0 1 HKAF Cc1ccc(Nc2cc(NC(=O)Nc3c(Cl)cccc3Cl)ncn2)cc1C 1857548736 MPCAOKCHTLBHPM-UHFFFAOYSA-N 402.285 5.788 0 1 HKAF COC1=CC(c2ccc(OC)cc2OC)=NC1=CC=C1N(C)c2ccccc2C1(C)C 1857552776 AGIYZMIGDGAVAL-UHFFFAOYSA-N 416.521 5.232 0 1 HKAF CCCCCCC(C)(C)c1cc(OCCCO)c2c(c1)OC(C)(C)c1cnoc1-2 1857618471 JDHQJYQOJVPVHO-UHFFFAOYSA-N 401.547 5.978 0 1 HKAF COc1cc(-c2n[nH]cc2-c2ccc(OCc3ccccc3)cc2)cc(OC)c1OC 1857619061 QNISRMHWDPVSJV-UHFFFAOYSA-N 416.477 5.349 0 1 HKAF CN(C)C(=O)c1ccc(OCCCCCC2CCC3(CC2)CC(C)(C)CCO3)cc1 1857640950 CMPKJKGUDNBYPM-UHFFFAOYSA-N 415.618 6.093 0 1 HKAF CC(C)CC[C@@H](O)[C@](C)(O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 1857742875 LMMRHWWBNFVJIU-HNKFJOPBSA-N 404.679 6.584 0 1 HKAF CC1=C[C@H](CNC(=O)C2CCCCC2)[C@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 2356309306 WITRYHSZUCBDTN-ZRBLBEILSA-N 421.629 5.965 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356435253 WEQPLVIAFBLKRQ-YEPJFLGFSA-N 416.690 6.894 0 1 HKAF COc1ccc2c3c(c(=O)oc2c1)[C@@H](C)[C@](C)(CCC=C(C)Cc1cc(C)co1)O3 2356492952 GKKFSJKWTPVFGM-NSYGIPOTSA-N 408.494 5.927 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356524143 RXPPOAQPYLFCAS-JEBXEDTKSA-N 414.718 7.859 0 1 HKAF NC(=O)c1ccc2c(c1)[C@@H](NCc1cccc(C(F)(F)F)c1)CC1(CCCCC1)O2 763333 UIFXEVFNUBAGNJ-IBGZPJMESA-N 418.459 5.121 0 1 HKAF Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(CC(=O)O)cc1 13489471 IYDNASQEPFLDOU-UHFFFAOYSA-N 407.413 5.343 0 1 HKAF Fc1ccc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1 27527316 KBLCNIZPWNZNKH-SVBPBHIXSA-N 401.525 5.637 0 1 HKAF Fc1ccc(-c2nc3ncnc(N4CCCCC4)c3nc2-c2ccc(F)cc2)cc1 28136155 IUFRJHUKPKJVQF-UHFFFAOYSA-N 403.436 5.022 0 1 HKAF CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccccc1 28390368 HJGRBNHROFTASJ-UHFFFAOYSA-N 418.271 6.169 0 1 HKAF CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(OC(F)(F)F)cc3)[nH]2)CC1 28473963 OEGDRECUNBAIHX-UHFFFAOYSA-N 401.432 5.452 0 1 HKAF Clc1ccc2c(c1)CNc1c(Nc3cccc(Br)c3)ncnc1O2 28570948 MRWAZVPCMKBBCK-UHFFFAOYSA-N 403.667 5.354 0 1 HKAF Fc1ccc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)cc1 28885695 YLNCHDUZZUUTSH-IZZNHLLZSA-N 408.561 5.363 0 1 HKAF O=C(O)c1ccc2oc(-c3cccc(/C=C/c4ccc5ccccc5n4)c3)cc(=O)c2c1 29222851 YKSLUJQRTVEPOZ-DHZHZOJOSA-N 419.436 5.877 0 1 HKAF COC(=O)[C@H](Oc1ccc2ccccc2c1)c1ccc(Oc2ccc(Cl)cc2)cc1 39242714 PLSMQVFVHXAXRT-XMMPIXPASA-N 418.876 6.579 0 1 HKAF O=C1C[C@H](C(F)(F)F)Cc2nc3ccc(Cl)cc3c(-c3ccccc3Cl)c21 42878329 AXVHEOGCZRJWMG-SNVBAGLBSA-N 410.222 6.516 0 1 HKAF O[C@H](COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2ccccc2)CC1 49050704 FNPRERNONGSACT-QFIPXVFZSA-N 414.549 5.016 0 1 HKAF CCN(C(=O)c1csc2ccccc12)c1ccnc(N[C@@H](C)c2ccccc2)n1 49070676 YGESGPJKZMTNLY-INIZCTEOSA-N 402.523 5.531 0 1 HKAF O=C(NCCSCc1cccc(NC(=O)C2CC2)c1)c1c(Cl)cccc1Cl 49808083 NLKGJIHXQXKWAQ-UHFFFAOYSA-N 423.365 5.005 0 1 HKAF Oc1ccc(Sc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)cc1 71295027 OCMIUBHFSGKXHO-UHFFFAOYSA-O 406.615 7.125 0 1 HKAF Cc1cccc(-c2nc(NCc3ccccc3)ncc2C(=O)N[C@H]2CCCC[C@@H]2C)c1 82145400 ZWWFSOYDHMBCGM-CVDCTZTESA-N 414.553 5.373 0 1 HKAF COCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccc(-c3ccccc3)cc2)n1 82176316 CSDPJYCEMJQLKG-UHFFFAOYSA-N 414.509 5.531 0 1 HKAF Cc1ccc(CNC(=O)CCCNc2nc(-c3ccc(Cl)s3)cs2)cc1 82195928 ZLANGPLVXXPCTQ-UHFFFAOYSA-N 405.976 5.342 0 1 HKAF CC1(C)OC(=O)C(c2ccc(OCc3ccc4ccccc4n3)cc2)=C1c1ccncc1 95579236 CREHZYPJXWVELF-UHFFFAOYSA-N 422.484 5.455 0 1 HKAF Nc1c(C(=O)c2ccccc2)sc2nc(-c3ccccc3)cc(-c3cccnc3)c12 95753522 BYKSFSGAZFCTPB-UHFFFAOYSA-N 407.498 5.839 0 1 HKAF COc1ccc([C@@]2(O)/C(=C/c3ccccc3)CCC[C@@H]2CN(C)c2ccccc2)cc1 98084833 NYKSSJDPEPIBPK-VSOHITDYSA-N 413.561 5.903 0 1 HKAF CC(C)=CCC[C@@]1(C)[C@@H](C(=O)C(C)C)C(=O)[C@@H](CC=C(C)C)C[C@H]1CC=C(C)C 100779550 AXAAMKAGJNUYDB-AALWMKDKSA-N 400.647 7.498 0 1 HKAF endogenous,in-man FC(F)(F)c1cccc(-c2ncccc2CC(c2cccnc2)c2cccnc2)c1 114776500 NBLXPHPZXQCKAU-UHFFFAOYSA-N 405.423 5.932 0 1 HKAF CCCCCCCCNC(=O)Oc1cccc(-c2ccc([C@@H](C)C(=O)O)cc2F)c1 143773892 UXTCVRSNFHPCCG-QGZVFWFLSA-N 415.505 6.130 0 1 HKAF O[C@@H](C[C@H]1CCCCN1)c1cc(Nc2ccc(Cl)cc2)nc2ccc(Cl)cc12 169334726 MVBBSLWLXVZHCU-UTKZUKDTSA-N 416.352 5.851 0 1 HKAF Cc1ccc(C(=O)O)cc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C 169351414 IXQOSACEYQVKSU-UHFFFAOYSA-N 414.498 5.174 0 1 HKAF O[C@H]1CC2(N3CCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)C2 169354979 RYCYJPVBNCYXDT-JBRXAOCBSA-N 416.392 5.870 0 1 HKAF CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccsc2)[C@@H]2C(=O)CC(C)(C)CC2=N1 169690629 AREMHURATKVOOF-SFTDATJTSA-N 410.514 5.343 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccc(Cl)cc2)cc1)C3 195083919 VPTOTYACZAFVTR-DFQNGISISA-N 421.968 5.684 0 1 HKAF C[C@H]1CCC([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@@]32C)=NC1 238731760 DWWGVLXWLZBQTA-BPYQHENFSA-N 413.646 5.404 0 1 HKAF COC(=O)C[C@H](OC)[C@]1(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC(=O)C[C@@H]1O 238775693 OSIGYNJOJJUONY-LEQYHSQASA-N 420.590 5.084 0 1 HKAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)nc2c1 586880369 XYTNYFZHABOYHN-UHFFFAOYSA-N 414.461 5.009 0 1 HKAF CCC(C)(C)c1ccc(-c2nc3c(Br)cc(C(=O)OC)cc3[nH]2)cc1 586881049 RVCQWKWOAXVZMJ-UHFFFAOYSA-N 401.304 5.467 0 1 HKAF O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cnccc6[nH]5)c34)c12 586884677 XACZIHIBKFPHSZ-UHFFFAOYSA-N 415.452 6.297 0 1 HKAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3ccccc3cc2[nH]1 586936212 HWSMRWLUQLJJPC-FQEVSTJZSA-N 413.930 5.045 0 1 HKAF Cc1cc2nc(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCC4)[nH]c2cc1C 587030509 GAHOVLRMZRECKJ-UHFFFAOYSA-N 421.953 6.303 0 1 HKAF COc1cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc(Cl)c1OCC(C)C 587045685 CBKRBLFBPHLRLL-UHFFFAOYSA-N 416.802 6.085 0 1 HKAF FC(F)(F)Oc1cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2cc1Cl 587053585 FYEHYFUQIQMWCS-SNAWJCMRSA-N 407.606 6.592 0 1 HKAF C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ncc[nH]c-2n1 587054819 MBEFARSXFOZSGY-NSHDSACASA-N 401.253 5.544 0 1 HKAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587063036 ZSBULENOFZMFLW-AWEZNQCLSA-N 418.824 5.040 0 1 HKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1 587066641 PIGYQHDGYLTHIB-UHFFFAOYSA-N 410.226 6.655 0 1 HKAF COc1cc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1C 587072804 XKUFATACZJVXQA-JRRWQPCCSA-N 401.337 6.553 0 1 HKAF Cc1cc(Br)cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 587091380 JWAPYUQODBEBAL-UHFFFAOYSA-N 402.239 5.350 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]3c1ccc(Br)cc1 587101795 MRZPOZHKDYSYII-SFHVURJKSA-N 412.286 5.897 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cccc(NC(=O)C(F)(F)F)c3)nc3cccc1c23 587104966 ZQCYPQKHJLOBDW-UHFFFAOYSA-N 418.374 5.614 0 1 HKAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cncc(Br)c2[nH]1 587122786 YBNGEEMFSQDWMM-UHFFFAOYSA-N 423.192 5.143 0 1 HKAF Fc1cc2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc2cc1Br 587134401 LALULDUIJKIBRY-OWOJBTEDSA-N 407.111 5.330 0 1 HKAF O=C(O)c1ccc(-c2cc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)ccc2F)cc1F 587138992 YWGMYIVEZJBLAE-UHFFFAOYSA-N 422.284 5.430 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 587158223 ALUUBCYWXSQUJN-UHFFFAOYSA-N 424.475 6.761 0 1 HKAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587196569 WBQZZTLJXFFOBY-SNVBAGLBSA-N 412.253 5.562 0 1 HKAF CC1(C)COC2(C[C@@H]3Cc4nc5cccc6c5c(c4[C@H]3C2)-c2ccccc2C6=O)OC1 587209880 VZTWASCLIWVVLJ-KXBFYZLASA-N 411.501 5.265 0 1 HKAF Clc1cc(Br)c2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2c1 587232691 ZSPKCSGMVKDECY-UHFFFAOYSA-N 416.706 5.529 0 1 HKAF O=C(c1cc2n(n1)C(C(F)(F)F)=CC(=C1CC1)N2)c1coc2ccc(Cl)cc12 587278091 GPNVQWKDNYMPKW-UHFFFAOYSA-N 405.763 5.390 0 1 HKAF C[C@]1(c2ccc(-n3cccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343789 VIMFNAALOZUXTD-AOYPEHQESA-N 413.448 5.596 0 1 HKAF CC(C)[C@]1(c2cc3ccccc3o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357276 UCIHRAIWDSHHLN-AZGAKELHSA-N 416.448 6.188 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccc(Br)cc1C)O2 587377163 LKYUGXFNLYEHPG-FQEVSTJZSA-N 411.299 5.145 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C)c(F)c1)(c1c(N)sc3c1CCC3)O2 587384884 KMKCHQOXZOTJRU-DEOSSOPVSA-N 422.525 5.066 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)cc(C(F)(F)F)cc1Cl)CC2=O 587464783 YJEOPQWNCYLXRF-INIZCTEOSA-N 419.226 6.377 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1cccc(F)c1)(c1cccc(F)c1)CC2=O 587465831 HHYGFVKSSWACTN-RUZDIDTESA-N 408.444 5.726 0 1 HKAF O=C(O)CCC1=COc2ccc(Cl)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587502623 SDWCKVFSULCQOW-DEOSSOPVSA-N 424.880 5.221 0 1 HKAF O=C1C[C@](COCc2ccccc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587504077 MGABSFNELPZYGX-MHZLTWQESA-N 416.492 5.782 0 1 HKAF C[C@@H]1CCCCCCCCCCCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587524095 JYXZLJKMFDHXOE-SKCUWOTOSA-N 410.642 7.990 0 1 HKAF O=C(O)[C@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 587629214 YRHXRQNCPKMRIS-QGZVFWFLSA-N 414.263 6.497 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)c(Cl)c2)N1 587716291 ZEIUILOVLUDHPC-PWJLMRLQSA-N 422.647 5.884 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3cc(F)ccc32)N1 587726937 AHDBDNHRUSBZEE-YBTHPKLGSA-N 408.286 5.066 0 1 HKAF CCOc1cccc2[nH]cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c12 587801056 CXJPCNSMFRMLGS-GIPWTMENSA-N 403.295 5.092 0 1 HKAF CCOc1cc(OCC)cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587804401 ZFUCTPBWYCKXTN-LRTDBIEQSA-N 422.338 5.183 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1C[C@H]1c1ccc(C)cc1 587857841 AJNHOXPBOBOOLG-DLBZAZTESA-N 415.320 6.008 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Nc1ccc(C(=O)O)cc1 587859097 BQLOAYYJHWDDOR-UHFFFAOYSA-N 420.252 5.034 0 1 HKAF OC[C@@H](CN1CCC(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1 653699370 CPOIFTHUTWZTPZ-HHHXNRCGSA-N 415.577 5.108 0 1 HKAF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@H](OC)c1cccc(Br)c1 653739031 MWSGOEDDFUJDCJ-GOSISDBHSA-N 422.706 5.496 0 1 HKAF COc1ccc2c(c1)nnn2-c1ccc(-c2nc3ccc(OC)cc3s2)cc1C 653899265 FYEGULHJNHIAPJ-UHFFFAOYSA-N 402.479 5.023 0 1 HKAF Cc1ccc(-c2csc([C@@H]3c4ccsc4CCN3Cc3cccn3C)n2)cc1 962399048 PKGSAKIAKQHHIU-QFIPXVFZSA-N 405.592 5.666 0 1 HKAF C[C@]1(c2cnc3ccsc3c2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962645795 YGCAPYGECVBWME-NVQXNPDNSA-N 411.574 5.307 0 1 HKAF Cc1ccc(SC(C)(C)[C@@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962670313 QINPUDWWDZYYOA-SQJMNOBHSA-N 420.578 5.254 0 1 HKAF Cc1ccc([C@@]2(c3ccc(F)cc3)c3cccc(F)c3CCN2[C@@H]2CCSC2)nc1 962701810 LRFGJZMUVPIBIB-CJFMBICVSA-N 422.544 5.324 0 1 HKAF Cc1ccccc1[C@]1(Cc2ccccc2)c2ccsc2CCN1Cc1cccnc1 962997193 KRMQVWLGBOCDEQ-HHHXNRCGSA-N 410.586 5.996 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCc1cc(F)cc(Cl)c1)c1ccccc1 963222612 BOJFKTMTLOOUON-DCFHFQCYSA-N 421.987 7.012 0 1 HKAF C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3Cl)cn2)[C@H]2[C@@H](C)OC(=O)[C@@H]2CC1(F)F 1772575392 WGXLZMPOJPJRDZ-BCAQZLIOSA-N 417.883 5.884 0 1 HKAF CCOc1cc(=O)n(CCCO)c2c1C[C@@H](C/C=C(\C)CCC=C(C)C)C(C)(C)C2 1857546529 KYSGOQVCPROHST-FVIRYLMMSA-N 415.618 5.453 0 1 HKAF O=C(O)c1ccc2c(c1)N(CC1CCC1)C[C@@]1(CCCc3cc(Cl)ccc31)CO2 1857576711 UZONKUOJBLOPMC-DEOSSOPVSA-N 411.929 5.311 0 1 HKAF O=C(Nc1ccccc1)Nc1sc(-c2ccc(Cl)c(Cl)c2)cc1C(=O)O 1857588041 GJAQIOATCGFTEK-UHFFFAOYSA-N 407.278 6.064 0 1 HKAF COc1cccc2cc(C3=Nc4ccccc4S[C@H](c4ccc(O)cc4)C3)oc12 1857751269 HKNQKKLQPZKTAY-QHCPKHFHSA-N 401.487 6.505 0 1 HKAF O=C(Nc1nc2ccc(F)cc2s1)c1ccc(OC(F)F)c(OCC2CC2)c1 1857761913 VOYHHQUYLRSOTM-UHFFFAOYSA-N 408.401 5.078 0 1 HKAF CN(C)[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(c5ccc6cc[nH]c6c5)[C@@]4(C)CC[C@@H]32)C1 1911581898 NJZQBIHKKYAAPN-YVRYDIAESA-N 416.653 7.134 0 1 HKAF CC(C)CC[C@@H]1C[C@H](Cc2ccc(=N)[nH]c2)C[C@H]([C@@]23CC[C@@H]([C@@H](N)C2)C(C)(C)O3)C1 2356294422 UTEGCQVUERHPEW-GLPNXXQESA-N 413.650 5.180 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CCC2=C3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 2356486457 TXYKXUMXTVCWMN-CWFKWHEYSA-N 402.663 6.504 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1[C@H](O)CC[C@]2(C)[C@@H]1CC[C@H]2[C@@](C)(O)CCCC(C)C 2356615793 KTYZDHZUHRTLRD-IRCHXDIHSA-N 416.646 6.014 0 1 HKAF CO[C@@H]1OCC2=CC[C@@H]3[C@](C)(CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)CCC[C@@]34CO)[C@H]21 2356759199 QZOGSLSUTNSYEO-FITCUOOFSA-N 402.619 5.573 0 1 HKAF NC(=O)c1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)n3Cc2ccccc2)cc1 205216151 RSMIYUCMBLERCV-UHFFFAOYSA-N 418.500 5.594 0 3 HKAF CN(CC1CCCCC1)[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 206041283 LGHIJUZLJGNFSS-IYOUEGCASA-N 422.657 5.681 0 3 HKAF CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCN(CC)CC 4212589 PRBSUYPHQFSHBH-RPWUZVMVSA-N 415.622 5.282 0 1 HKAF CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCCOC 4214002 LRCKUVLOJZSZNE-JWQCQUIFSA-N 422.569 5.520 0 1 HKAF CC(/C=C/C1=C(c2cc(C(C)C)cc(C(C)C)c2OCC(F)F)CCC1)=C\C(=O)O 13527151 ASAHJGAFFOJUCI-BSDMPFPKSA-N 418.524 7.102 0 1 HKAF COc1ccc2cc([C@@H](C)c3nnc4sc(-c5ccc(Cl)cc5)nn34)ccc2c1 28823122 OOURINCQLZUXRC-CYBMUJFWSA-N 420.925 5.820 0 1 HKAF CCN(Cc1ccccc1)C(=O)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 28826671 SUZQBVBRBOXZOS-UHFFFAOYSA-N 416.399 5.914 0 1 HKAF O=C(N[C@@H](CC1CCCCC1)C(=O)O)c1ccc(Cl)c(-c2ccc(Cl)cc2)c1 29219003 XUCFUHUVLHILOK-FQEVSTJZSA-N 420.336 5.814 0 1 HKAF COc1c(O)ccc2c1-c1ccc3c(c1[C@H]([C@@H]1C=C(C)CCC1)O2)C(C)=CC(C)(C)N3 29466563 AWORLHRQSDNJDQ-GKVSMKOHSA-N 417.549 6.855 0 1 HKAF COc1cc(C(=O)O)ccc1Cn1ccc2ccc(NC(=O)OC3CCCCC3)cc21 29474382 UWYXPFNBUDJKQO-UHFFFAOYSA-N 422.481 5.278 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 31165773 LIIFBMGUDSHTOU-HANRPTGSSA-N 424.713 8.377 0 1 HKAF COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cc2ccccc2s1 49802195 XDIAZCIMRJFATN-NIYFSFCBSA-N 419.590 6.618 0 1 HKAF Cc1ccccc1-c1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1C 59239873 DTAOEPMEPJCKID-UHFFFAOYSA-N 410.395 6.586 0 1 HKAF O=C1c2ccccc2[C@](O)(c2ccc(Cl)cc2)N1Cc1ccc(C(F)(F)F)cc1 66102151 RVBHFDCVFGBLNI-OAQYLSRUSA-N 417.814 5.208 0 1 HKAF O=C(O)COc1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)c(Cl)c1 72107129 QEODQZMDGLVHEF-UHFFFAOYSA-N 412.913 5.644 0 1 HKAF CC(C)[C@H](NC(=O)[C@@H](N)[C@@H](C)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 73222525 YWOQSBVWBDQIDN-WDNCENIBSA-N 420.984 5.951 0 1 HKAF C[C@@H](c1ccc(F)cn1)N1CCC2(CC1)O[C@H](c1cc(Cl)ccn1)c1ccccc12 73387969 UMTQBBVFVBRUPB-HJPURHCSSA-N 423.919 5.441 0 1 HKAF C[C@H]1CCCC[C@H]1Nc1ncc(-c2nc3ccccc3s2)c(-c2ccc(F)cc2)n1 82164194 DCLKPKYPAPAESH-HNAYVOBHSA-N 418.541 6.550 0 1 HKAF CC(C)(C)C1=NN(C(=O)c2ccc(Cl)cc2Cl)[C@@H](c2ccc3c(c2)OCO3)C1 95554002 FCCQFUKFADDRPX-MRXNPFEDSA-N 419.308 5.711 0 1 HKAF c1ccc(C[n+]2cn(Cc3c(-c4ccccc4)oc4ccccc34)c3ccccc32)cc1 96910412 HQOJQDKBEJJVOV-UHFFFAOYSA-N 415.516 6.439 0 1 HKAF CCS/C(O)=C1\C(C)=NC(c2ccccc2)=C(C(=O)OCc2ccccc2)[C@@H]1CC 100038029 UCVMIVXGWDMOAT-YXQDFNCHSA-N 421.562 6.165 0 1 HKAF CSc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2C)cc1 104699243 IBNCTRWQOOURRR-QHCPKHFHSA-N 418.562 6.164 0 1 HKAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)Oc1ccc(C=O)cc1OC 143822674 ICLSCTGXDNHPKU-NQLNTKRDSA-N 414.586 7.227 0 1 HKAF Cc1cc(C)cc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)c1 147183313 IGDPDDLTRYWOMV-UHFFFAOYSA-N 413.951 6.066 0 1 HKAF Oc1csc(N2N=C(c3ccc(Cl)c(Cl)c3)C[C@@H]2c2ccc(Cl)cc2)n1 169728214 ULUKEFYLYZPRRR-MRXNPFEDSA-N 424.740 6.165 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(C)c(O)cc2c(C)c(-c3ccc(O)cc3O)oc12 238735278 HGNADQPEQXZTSR-CXUHLZMHSA-N 406.522 7.069 0 1 HKAF C[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)[C@H]1C[C@H]1C 255195887 AOOVLQXWRHMRMX-DHNOGJBISA-N 412.702 7.635 0 1 HKAF CCC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@@H]4[C@H]3CC[C@@]21C)C(C)C 255238485 MVTBWZPAISRVGC-QLMVURMRSA-N 416.734 8.105 0 1 HKAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(C(C)(C)C)cc2[nH]1 586936734 JZMDKIJKGXOEHC-IBGZPJMESA-N 419.978 5.189 0 1 HKAF O=Cc1cc(Br)cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 586982130 RELWNJQTLJXWJY-UHFFFAOYSA-N 414.484 5.221 0 1 HKAF Cc1ccc2c3c(cc([C@@H]4CC=C(Br)CC4)nc13)-c1ccccc1C2=O 586993113 IENGEWJVPYXVTE-CQSZACIVSA-N 404.307 6.301 0 1 HKAF CC(C)(C)c1cccc2nc(COc3ccc4ccccc4c3Br)[nH]c12 587000054 DZFGJSJQAMDTMZ-UHFFFAOYSA-N 409.327 6.355 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Cl)cc(Cl)cc4[nH]3)c21 587030352 DSOHZRHSGHYYGH-NSHDSACASA-N 402.350 6.829 0 1 HKAF Cc1cc(Cl)cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587071484 NKZNSGOTEFWQDG-YFHOEESVSA-N 409.316 6.928 0 1 HKAF Cc1ccc2c3c(cc([C@H]4CN(Cc5ccccc5)CCO4)nc13)-c1ccccc1C2=O 587097204 MHLNWDVKWCHJRG-RUZDIDTESA-N 420.512 5.328 0 1 HKAF Cc1ccc2c3c(cc([C@H](C)Oc4ccc5c(c4)OCO5)nc13)-c1ccccc1C2=O 587102942 SSFGJVCBHAJIAZ-HNNXBMFYSA-N 409.441 5.623 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1CN(Cc2ccccc2)C[C@H]1C3 587105549 CYXFIHPOGIIBQW-WZONZLPQSA-N 402.497 5.218 0 1 HKAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587149611 HWPISSHGMYXBPM-ZETCQYMHSA-N 421.163 5.762 0 1 HKAF COc1ccc(-c2ccc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c(F)c2)c(F)c1 587149730 ALQTWVXCLGMYOE-UHFFFAOYSA-N 406.219 5.886 0 1 HKAF COc1ccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2c1 587161546 WAZHZCCXRAUPDK-UHFFFAOYSA-N 414.234 5.327 0 1 HKAF O=C(Nc1ccccc1)c1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cc1 587244953 SQRFYYYMONOWJS-UHFFFAOYSA-N 415.802 6.154 0 1 HKAF COC(=O)c1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)s1 587365130 JGSZROKEMNSYGE-UHFFFAOYSA-N 415.470 6.172 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4C(F)(F)F)o1)[C@@H](C2)C3=O 587419632 HLPMTPCHTPPJOE-QKKBWIMNSA-N 400.352 5.463 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H]1CCCC[C@@H]1C(=O)O)CC2=O 587491395 VAEPXAPHCKMHIZ-WVFSIPRWSA-N 408.494 5.096 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccccc3[S@@](C)=O)cc1)CC2=O 587494386 WZMWJCVGUPQEQG-WVXBCFDCSA-N 420.530 5.456 0 1 HKAF Cc1ccc(-c2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1Cl 587510275 YHBVXVDUIQOANN-HHHXNRCGSA-N 416.948 7.075 0 1 HKAF CC1CCN(c2ccc(N)c([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)CC1 587516138 YLQYQLYHWVHTNK-SANMLTNESA-N 404.554 5.265 0 1 HKAF CC(C)CCS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533791 WELWWXOXMKFZQA-HSZRJFAPSA-N 412.551 5.092 0 1 HKAF CCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CC 587595936 LZYDVAOBCXCASN-WIOPSUGQSA-N 404.462 5.446 0 1 HKAF Cc1ccccc1-c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587603451 OSMOLWHHHYRPQU-SHQCIBLASA-N 408.453 6.071 0 1 HKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc2c1OC(C)(C)C2 587616196 JBUMTCYYIPIWQX-HYBUGGRVSA-N 402.446 5.117 0 1 HKAF Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2OCC(F)(F)F)cc1 587622532 OYIIIBAJUDREDR-UHFFFAOYSA-N 424.220 5.723 0 1 HKAF CCc1cccc(CC)c1NC(=O)c1c(-c2ccccc2)[nH]c2c(C(=O)O)cccc12 587638805 VPNPJKRRIJRTPX-UHFFFAOYSA-N 412.489 5.910 0 1 HKAF Cc1cc2nc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)sc2cc1C 587661709 BHJDNSZTIZKJEP-UHFFFAOYSA-N 401.466 5.418 0 1 HKAF CCOc1ccc(Cl)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587696105 KWPTVYZBIUURTQ-WYRIXSBYSA-N 412.730 5.438 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2ccccc2Cl)N1 587696729 MNLSQFNZUPKNCM-JEOXALJRSA-N 410.714 5.264 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCc3ccc(Cl)cc32)N1 587703241 XNROEFHMIWUARZ-FKIZINRSSA-N 408.742 5.746 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cccc(Cl)c2)N1 587705822 ZNLVOLFBYDKZLB-MPBGBICISA-N 419.725 5.656 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2-c2ccc(F)cc2)N1 587735454 PXDQEURTZFHDKQ-XUSGNXJCSA-N 415.281 5.413 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cccnc3)cc2)N1 587778412 MYWQDVIFNHJXII-ZSEKCTLFSA-N 413.290 5.399 0 1 HKAF CCOc1cc(OCC)cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587801146 JADDBLLLDMHAQG-LRTDBIEQSA-N 422.338 5.183 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C2(O)CCCCC2)N1 587821340 HUIUHNVFXMSLSV-OYHNWAKOSA-N 418.350 5.061 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(c2ccccc2)c2ccccc2)N1 587821508 VDLONVHJFCNHQH-IQMFZBJNSA-N 410.330 5.996 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2ccccc2)no1 587860008 LGBLCAVUMNHXQO-UHFFFAOYSA-N 401.253 5.295 0 1 HKAF Oc1cc(-c2ccc(Cl)cc2)c(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 587946808 YADNTVGOBBAPPB-IBGZPJMESA-N 411.860 6.174 0 1 HKAF COc1cc2c(cc1OC)[C@@](c1cccc(F)c1)(c1ccccc1OC)N(C)[C@@H](C)C2 962623172 JYIHNLMFQPSUJI-MRDQGFSESA-N 421.512 5.020 0 1 HKAF C[C@]1(c2nc3ccccc3s2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962950270 CUUWUMQKHDKPOR-FQEVSTJZSA-N 418.484 5.230 0 1 HKAF CSc1snc2sc([C@@]3(C)NCCc4c(Cl)cc(Cl)cc43)c(N)c12 963111180 NEVMTLJPHNUMMC-INIZCTEOSA-N 416.424 5.378 0 1 HKAF CCC[C@@]1(c2cc3ccccc3oc2=O)c2cccc(Br)c2CCN1C 963279001 DPRBBPGHKQPITB-QFIPXVFZSA-N 412.327 5.087 0 1 HKAF CCOC(=O)[C@@H]1C[C@@H](C(C)(C)C)CC[C@]12c1cccc(Br)c1CCN2C 963289259 KTCSONFMRRUJMZ-VPKVUBIPSA-N 422.407 5.158 0 1 HKAF CC(C)CCNc1cc2nc3n(c(=O)c2cc1F)CC/C3=C\c1ccc(C(C)C)cc1 1911571231 ZSWRPSCNIKAUHW-DEDYPNTBSA-N 419.544 6.061 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356352129 NEWQKITUJNEGAS-IUMWASOSSA-N 414.718 7.881 0 1 HKAF CC(C)(O)C=CC[C@@]1(C)[C@H]2CC[C@H]3Cc4c([nH]c5ccccc45)[C@]3(C)[C@]2(C)CC[C@H]1O 2356491989 UCZDOMMSHDUFIK-UMXAKGBXSA-N 421.625 5.892 0 1 HKAF C[C@H]1CC[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)NC1 2356528206 UUCQCKZTFQEWEI-TXQVOHPQSA-N 415.662 5.209 0 1 HKAF CC(C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@](C)([C@@H]4CC[C@H](O)C(C)(C)[C@@H]4C)[C@H](C)[C@]3(C)CC[C@@]12C 2356577346 BICHKMMUIQBJJU-WRLLOQJKSA-N 416.734 7.961 0 1 HKAF CC(C)CC=C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356804818 ZLQNJYXZDDSDNV-MEAJOKFQSA-N 400.647 6.136 0 1 HKAF CC(C)CCN1CC2=C(C1=O)[C@]1(C)CC[C@@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@@H]1CC2 2356807728 YBFBLICDGYTHKZ-PPHDYCQNSA-N 401.591 5.279 0 1 HKAF CC=C(C)c1c(Br)c(O)c(C)c2c1Oc1cc(O)cc(C)c1C(=O)O2 2356840410 MQLAWUIMBJTRIO-UHFFFAOYSA-N 405.244 5.225 0 1 HKAF CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 4080306 GVPRHKGCFZTESR-JWQCQUIFSA-N 421.585 5.343 0 1 HKAF Cc1cnc(Nc2nc3ccc(C(=O)Nc4c(C)cc(C)cc4C)cc3s2)c(C)c1 13536560 JWJYTRLTTBQMEN-UHFFFAOYSA-N 416.550 6.229 0 1 HKAF CCCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1 13673416 OFRAIZACHYVYMG-UHFFFAOYSA-N 413.546 6.385 0 1 HKAF O=C(O)[C@H]1CCCN(CCO[C@H](c2ccc(Cl)c(Cl)c2)C2CCCCC2)C1 13729435 ZYYYOOSODGRELM-PXNSSMCTSA-N 414.373 5.428 0 1 HKAF Cc1cc(C)cc(CO[C@@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 13744516 PXZTVHCMFSPYCK-FQLXRVMXSA-N 411.589 6.115 0 1 HKAF CC(C)CCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)O 14490978 LZCRDJFEDQYGND-RUZDIDTESA-N 412.699 8.280 0 1 HKAF biogenic CCCNC1=Nc2ccccc2C(c2ccccc2F)=N[C@@H]1Cc1c[nH]c2ccccc12 26638023 PRRAXJYOXKPQGY-RUZDIDTESA-N 424.523 5.799 0 1 HKAF CNC(=O)c1ccc(-c2nnc(Nc3ccc(C(C)(C)C)cc3)c3ccccc23)cc1 28524940 CZXUSMYRTQIVIP-UHFFFAOYSA-N 410.521 5.698 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)c1csc(-c2c(Cl)cccc2Cl)n1 28562798 CRKNDEZRZHJBHD-UHFFFAOYSA-N 417.239 6.388 0 1 HKAF CCOc1ccccc1OCCN1CC[C@@]2(CC)c3cccc(O)c3C[C@@H]1C2(C)C 28770254 YLRLXTQWRVRUKP-RSXGOPAZSA-N 409.570 5.174 0 1 HKAF c1ccc(C(c2ccccc2)[C@H]2CC[C@@H]3CN2CCN3c2cccc3ccccc23)cc1 36271394 QVYKCXRORLVKGF-GGXMVOPNSA-N 418.584 6.325 0 1 HKAF OCc1ccc(-c2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cn2)o1 40918854 XKQOCHOBKQOARA-UHFFFAOYSA-N 424.460 5.100 0 1 HKAF CN1[C@H](CCc2ccc3ccccc3n2)CCC[C@@H]1CCc1ccc2ccccc2n1 49089983 GHBBWRVHELATGQ-WMPKNSHKSA-N 409.577 6.201 0 1 HKAF COc1ccccc1-c1cn2c(-c3ccc(Cl)c(Cl)c3)c(CN)c(C)nc2n1 64503668 VOIZMTCGVKBUCQ-UHFFFAOYSA-N 413.308 5.146 0 1 HKAF CC1=Nc2ccc(-c3ccncc3)cc2[C@H](c2ccccc2)N1CCN1CCCCC1 72123045 WCTUTLHCXSNNFG-MHZLTWQESA-N 410.565 5.689 0 1 HKAF COc1cccc(CNc2cc(Oc3ccc(-c4ccccc4)cc3)ncn2)c1OC 82067670 SLXFNEHZZSYISN-UHFFFAOYSA-N 413.477 5.565 0 1 HKAF CCCOCCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccco2)n1 82165273 ZGLIOXDRLZPYMG-UHFFFAOYSA-N 420.538 5.756 0 1 HKAF Cc1cc(C)c(-n2c(SCC(=O)Nc3ccccc3C)nc3cnccc32)c(C)c1 84731271 IGXMGSVEQRJPGQ-UHFFFAOYSA-N 416.550 5.385 0 1 HKAF COC(=O)c1ccc([C@H](c2ccc(Nc3nc4ccccc4o3)cc2)n2ccnc2)cc1 89469058 XBGHZEQQURGHPO-HSZRJFAPSA-N 424.460 5.192 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1ccc(-c2ccccc2)cc1 103270591 UZOWSDQSAIZVCO-JOCHJYFZSA-N 401.506 5.625 0 1 HKAF Cc1cccc(-c2nc3n(n2)[C@@H](c2ccc(O)cc2)C2=C(O)CC(C)(C)CC2=N3)c1 103541960 DKNCXPFQSNHVKG-NRFANRHFSA-N 400.482 5.267 0 1 HKAF CC[C@H](C)[C@@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1)CCCC3 113125420 IUPGJXUVHFRYGH-MGPUTAFESA-N 407.579 6.673 0 1 HKAF CCCC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1 114545829 YSZJTABEYJPUJH-UBQCLMHDSA-N 422.528 6.810 0 1 HKAF CC(C)(C)c1cc(-c2nc3cc(-c4ccccc4C(F)(F)F)nc(Cl)c3[nH]2)on1 141261031 PVPKHMAIMPKPBA-UHFFFAOYSA-N 420.822 6.250 0 1 HKAF CC(C)N(CCSC(=O)N1c2ccccc2Sc2cc(Cl)cnc21)C(C)C 145536169 HPANAGMLRAKWJQ-UHFFFAOYSA-N 422.019 6.310 0 1 HKAF CC(C)c1ccc(NC(=O)[C@@H](CC(=O)c2ccc(C(C)C)cc2)N2CCCCC2)cc1 169333759 RZYUAEAXADYRLK-RUZDIDTESA-N 420.597 5.999 0 1 HKAF CCOc1ccc2nc(Sc3cc(O)n(-c4cccc(OC)c4)c3O)sc2c1 169687961 GIXLXFWBKNPSMN-UHFFFAOYSA-N 414.508 5.057 0 1 HKAF O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2cccc(Cl)c2)c1 216052941 QGIQLILTZHJVFO-UHFFFAOYSA-N 423.343 6.038 0 1 HKAF CC(C)=CCOc1ccc(-c2coc3cc(OCC=C(C)C)cc(O)c3c2=O)cc1 238749778 QKBHQLLFELAADR-UHFFFAOYSA-N 406.478 5.856 0 1 HKAF Cc1cn(Cc2ccc(O)c(CC3CCCCC3)c2)c2ccc(OCC(=O)O)cc12 299859438 XOWRCJDIPFJXGF-UHFFFAOYSA-N 407.510 5.290 0 1 HKAF CCCCC1CCC(c2nc3cc(Br)c(Br)cc3[nH]2)CC1 586886962 DWONYXWWUXKINX-UHFFFAOYSA-N 414.185 6.552 0 1 HKAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1 586915350 DCROSRWDHDGMPB-CPJSRVTESA-N 414.530 5.931 0 1 HKAF c1ccc(C(SCCc2nc3cncnc3[nH]2)(c2ccccc2)c2ccccc2)cc1 586970643 NIJREIOCVBJQKM-UHFFFAOYSA-N 422.557 5.621 0 1 HKAF Cc1nc(-c2ccc(F)cc2)oc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988990 VMOKQGCAJBUMQU-UHFFFAOYSA-N 422.415 5.921 0 1 HKAF CCCOc1cc2[nH]c(-c3ccc(-c4nccs4)s3)nc2cc1Br 587024150 XCEHHTGJPGOARF-UHFFFAOYSA-N 420.357 5.966 0 1 HKAF Cc1c(Br)ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c12 587029603 RAJZZAJCBNZSAD-UHFFFAOYSA-N 424.327 5.155 0 1 HKAF COc1cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc(Cl)c1OCC(C)C 587046409 SHSRYGDSPXDQQD-UHFFFAOYSA-N 414.868 5.252 0 1 HKAF Cc1ccnc2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc12 587112929 WMPJIYHBMNBTSH-UHFFFAOYSA-N 421.344 6.638 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c(F)c2)c(F)c1 587153377 ZFDXJBQNVACERT-UHFFFAOYSA-N 406.766 6.115 0 1 HKAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 587160890 HXFFRMWQIPXNDT-NEPJUHHUSA-N 415.184 5.634 0 1 HKAF Clc1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cc1Cl 587183034 AFHPIAQJILDRPG-PLNGDYQASA-N 415.061 5.645 0 1 HKAF C[C@@]1(c2cc(F)c(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331922 KMUSWXJNKMCLBQ-IRLDBZIGSA-N 402.343 5.223 0 1 HKAF CC(C)(C)[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340766 ZDFXSWKSMGKVGS-DHLKQENFSA-N 408.444 5.971 0 1 HKAF Cc1ccc(C)c2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349939 HBNNXJDNRHZTPW-RSXGOPAZSA-N 402.465 5.739 0 1 HKAF CCSc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 587364383 CSBKCCZUBKKWLK-UHFFFAOYSA-N 411.526 7.436 0 1 HKAF CCOc1ccc([C@]2(c3ccccc3Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587378769 PPVDZSUXOSGMJZ-DEOSSOPVSA-N 407.897 5.538 0 1 HKAF CSc1ccc([C@@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587379544 YSDYWCRAPAAYME-ILBGXUMGSA-N 422.521 6.164 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1sc(-c3ccccc3F)nc1C)CC2=O 587468485 VONMZKQWAUGJIF-QHCPKHFHSA-N 411.498 5.796 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCc3ccc(Oc4ccccc4)cc31)CC2=O 587475714 CDLMSSSZYCYWQE-HHHXNRCGSA-N 414.501 6.334 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1sc(-c3ccc(O)cc3)nc1C)CC2=O 587492344 CKLCZFSSYUJVBD-QHCPKHFHSA-N 409.507 5.363 0 1 HKAF CN(C)/C=C\[C@@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510989 ZKPQDNLMFRZRQJ-DSTYWPJMSA-N 415.455 5.520 0 1 HKAF CC(C)c1csc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587536553 WFKVJIBDHVVFNO-VWLOTQADSA-N 403.547 6.054 0 1 HKAF CCCOc1c(OCC)cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593886 FSZJNTWLFMJFNY-PXDATVDWSA-N 420.461 5.283 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1nccs1 587616756 GOEGYMXPXCYSOS-UGKGYDQZSA-N 401.443 5.219 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(F)(F)F)(c2ccccc2)N1 587708967 GRXWACLYPCDCRY-PIGZYNQJSA-N 402.229 5.318 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)c(F)c2)(C(F)(F)F)N1 587709139 IRBKNOMYXMCFSL-PWJLMRLQSA-N 424.182 5.207 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cc(C(F)(F)F)cc2F)N1 587713573 SPGHZVRZXBJEMP-GYKQLYQFSA-N 424.182 5.509 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cccc2OC(F)F)N1 587717074 KKPLPLMNGLWGHO-VPTHRUTESA-N 420.656 5.467 0 1 HKAF CC(C)[C@]1(CCc2cccc(N)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587747859 SNEQKPILAAXERK-QKKBWIMNSA-N 405.355 5.189 0 1 HKAF CCC[C@H](CC1(c2nc3ccc(F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781586 LHDPUMZPBMECPI-LJQANCHMSA-N 408.517 6.064 0 1 HKAF COc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 587827504 JTRFFJUVKOTTGE-GTJPDFRWSA-N 416.290 5.480 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccsc3)cs2)N1 587850173 XWANDOXGQKSAMW-YPMLDQLKSA-N 408.361 6.002 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c(N)ncnc2[nH]1 587958369 FOZUQEVJRPHUFX-RCHUDCCISA-N 419.617 6.789 0 1 HKAF COc1ccc2c(c1OC)[C@H](c1ncc(-c3ccc(C(C)(C)C)cc3)o1)N(C)[C@H](C)C2 962635140 QTMUSRIXQYEBPK-WAIKUNEKSA-N 420.553 5.622 0 1 HKAF CC(C)c1nn(C)c2c1[C@@H](c1ccc(-c3cccc(Br)c3)s1)NCC2 962914213 DJDLOSYPBNPZQH-HXUWFJFHSA-N 416.388 5.270 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1ccccc1OCc1ccc(Cl)cc1 963089255 GJUJEHDZBZBERW-BWKNWUBXSA-N 407.916 6.168 0 1 HKAF Cc1ccc(CC[C@]2(c3cccc(F)c3)c3c(F)cccc3C[C@H]3CCCN32)cc1 963113528 RLVSRNIMKQLNSR-SQHAQQRYSA-N 403.516 6.170 0 1 HKAF COc1ccc(C2=COc3cc(OC)ccc3[C@@]23NCCc2cc(Cl)ccc23)cc1 963390893 OFUMSFOOGZCBLZ-RUZDIDTESA-N 419.908 5.180 0 1 HKAF Cn1cc([C@@H](C[C@@H]2NCCc3cccc(Cl)c32)c2ccccc2)c2ccccc21 963391498 VJFBSDFGOYJXGR-URXFXBBRSA-N 400.953 6.241 0 1 HKAF O=C(Nc1cccc(Br)c1)N1CCc2ccccc2[C@@H]1c1ccccc1 1772607400 HZKHOMFILDGTQV-NRFANRHFSA-N 407.311 5.629 0 1 HKAF O=C1Nc2ccccc2C1=C(c1nc2ccccc2[nH]1)c1ccc(Cl)cc1Cl 1857624514 KUMDZZHPRYLLRP-UHFFFAOYSA-N 406.272 5.781 0 1 HKAF COCOc1ccc(COc2coc3cccc(CC4CCCCC4)c3c2=O)cc1 1857632638 JJXAHVWTXZWAEF-UHFFFAOYSA-N 408.494 5.478 0 1 HKAF COc1ccc([C@](C)(O)c2nc(-c3ccc(C(F)(F)F)cc3)nc3ccccc23)cc1 1911585461 PDJGVEPPROBLRH-QHCPKHFHSA-N 424.422 5.580 0 1 HKAF CC(C)[C@H](C)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356419896 IJWMVKBLTSNFEG-IAWKDXSJSA-N 412.702 7.657 0 1 HKAF CCCCCC=CCC=CCCCCCCCc1cc(O)cc(O)c1OC(C)=O 2356596498 JAMQFDQVIRENDO-UHFFFAOYSA-N 402.575 6.989 0 1 HKAF C[C@H]1CC[C@]2(NC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 2356621931 VCYNHQOAZQMPOJ-AWVRQOIUSA-N 413.646 5.575 0 1 HKAF CCC1=C[C@](C=Cc2ccccc2)(CC)[C@](CC)(C(=O)O)[C@@H]2[C@H](CC)C(=O)[C@@H](C)[C@H]12 2356774640 ALLQJQBDLUMIQH-RSZPKTJSSA-N 408.582 6.405 0 1 HKAF O[C@@H](c1cccc(Cl)c1)c1nnc(Nc2cccc(Oc3ccccc3)c2)s1 206056432 JCXPTFOKAWARRQ-IBGZPJMESA-N 409.898 5.809 0 3 HKAF CC(C)(C)c1noc(-c2ccoc2)c1C(=O)NCCc1c(Cl)cccc1Cl 775892 FBLJVHVZQXYMRL-UHFFFAOYSA-N 407.297 5.511 0 1 HKAF Cc1ccccc1-c1nc(CN2CCC[C@H](C(=O)NCCC3=CCCCC3)C2)c(C)o1 5055795 HGVRYWCFSFGPLC-QFIPXVFZSA-N 421.585 5.177 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccc(C(=O)O)cc2)CCCC1 13736849 UYFNGGVKYQPLPC-UHFFFAOYSA-N 422.569 6.265 0 1 HKAF C[C@H]1CC=C[C@H]2[C@@H](c3ccc(-c4ccoc4)cc3F)N(Cc3ccccc3)C(=O)[C@H]12 13830376 MSAYVNPLYDDUJO-JBQMBFFJSA-N 401.481 5.998 0 1 HKAF C[C@]12C=CC(=O)N[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)n3ccc4ccccc43)CC[C@@H]12 26970161 ZKJLGJLBCWOCRC-HGJLLAFYSA-N 416.565 5.195 0 1 HKAF CC(C)(Cc1ccccc1)[C@@H]1OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c2cccnc2)O1 27759384 XYUJBPXTBCBGMX-GSDNGPJRSA-N 409.526 5.192 0 1 HKAF CCCCNC[C@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 28223974 QUSODUKQARGYJT-QHCPKHFHSA-N 415.364 6.146 0 1 HKAF CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2)c2cc(Cl)ccc21 28233503 QMWNDDGZWIQCAV-QFIPXVFZSA-N 413.908 5.246 0 1 HKAF Cc1ccc[n+](CCCCCc2ccccc2CCCCC[n+]2cccc(C)c2)c1 28861762 WFPOLOYJKRLBKV-UHFFFAOYSA-N 402.626 5.704 0 1 HKAF CNc1cc(/C=C/c2cccc(/C=C/c3ccc(OC)c(NC)c3)c2)ccc1OC 28949023 NUJMBHKXYYDIFV-GFULKKFKSA-N 400.522 6.128 0 1 HKAF CS(=O)(=O)Nc1ccc(-c2cnc3cccc(Nc4cccc(Cl)n4)c3c2)cc1 28957610 ZVFDDQBMECSXGC-UHFFFAOYSA-N 424.913 5.065 0 1 HKAF COc1ccc2cccc(C[C@H](C)NC(=O)c3ccc(OC(F)(F)F)cc3)c2c1 29040745 PUPLVWCDZZBSKT-AWEZNQCLSA-N 403.400 5.108 0 1 HKAF CC1=C(O)/C(=C/[C@@H](C)CCC/C(C)=C/CC[C@@](C)(O)CCCc2ccoc2)OC1=O 34215646 QFBUNOKEKXMSCV-MRRSGOOSSA-N 416.558 6.159 0 1 HKAF in-vivo CC1(C)CCC(C)(C)c2cc(/C(=C/c3ccc(C(=O)O)cc3)C(F)(F)F)ccc21 40465233 BWHZMHLZWICOLK-UYRXBGFRSA-N 402.456 6.837 0 1 HKAF Cc1c(C)c2c(c(C)c1OCC(=O)O)CC[C@](C)(/C=C/C[C@H](C)CCCC(C)C)O2 45254557 UPDVMJIDNQPDDK-YHUPHYLMSA-N 416.602 6.568 0 1 HKAF S=C(Nc1cccc(Cl)c1)N[C@H]1CCN(c2ccnc3cc(Cl)ccc23)C1 45303111 JTKAKABTTHKLNX-INIZCTEOSA-N 417.365 5.107 0 1 HKAF COc1cccc(C(=O)[C@@H]2C[C@H]2CN2CC=C(c3c(C)[nH]c4ccccc34)CC2)c1 58626931 YLFWQQFYVZMRSU-NZQKXSOJSA-N 400.522 5.093 0 1 HKAF Cc1ccc(Oc2cncc(NC3CCCCCC3)n2)c(-n2nc3ccccc3n2)c1 82068576 HWSYCMMCARKBHD-UHFFFAOYSA-N 414.513 5.446 0 1 HKAF O=C(NCc1cccc(OC(F)(F)F)c1)c1csc(-c2ccc(Cl)cc2)n1 82086253 QHXZSLIGUWVCOD-UHFFFAOYSA-N 412.820 5.292 0 1 HKAF CCCCCc1nc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccco2)oc1C 82165411 YMDLKYQZKXYPEA-VQIMIIECSA-N 408.546 6.423 0 1 HKAF CC1CCC(NCc2ccc3c(c2)CC2=C(c4ccc(C(=O)O)cc4)N=N[C@H]23)CC1 87612894 JSRJBXPQZKBIIB-AMRZARNOSA-N 401.510 5.527 0 1 HKAF COC1=CC(c2cc3ccccc3n2C(=O)OC(C)(C)C)=N/C1=C\c1[nH]c(C)cc1C 95557700 WKWDUFCYQGAPNV-MOSHPQCFSA-N 417.509 5.744 0 1 HKAF O=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1cccc(Oc2ccccc2)c1 96938206 UOGCFWIUJRLVNN-UHFFFAOYSA-N 409.441 6.096 0 1 HKAF CC[C@H](C)CC[C@H](CC[C@@H](C)CCC[C@@H](C)CCCC(C)C)[C@@H](C)CCCC(C)C 102191849 ZYUQNRLZGGWDML-VFFRCKCKSA-N 422.826 10.940 0 1 HKAF CCc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@@H](Cc3cccc(C(N)=O)c3)C[C@@H]12 103254073 AMHLXPJPKQYEBJ-OPRSCSRJSA-N 417.593 5.034 0 1 HKAF CCc1ccc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC(C)=C2C(=O)OC)cc1 103898593 JYOGBVNHEZXUGV-YKSBVNFPSA-N 401.506 5.624 0 1 HKAF CN(C)C(=O)Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1 149309751 IFIJAUOMSKQPPS-UHFFFAOYSA-N 423.480 5.010 0 1 HKAF C[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@@H](C4)[C@H]13 169310468 KVTPARWKGZYKAU-OOLNMMECSA-N 412.533 5.019 0 1 HKAF O[C@@H](C[C@@H]1CCCCN1)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12 169333418 IHPKYBIMUMGNRB-KKSFZXQISA-N 401.337 5.774 0 1 HKAF CCCCN(CCCC)C[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2ccsc12 169336051 HWJUPCQTGUUGMP-NRFANRHFSA-N 424.437 7.297 0 1 HKAF Cc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCc3ccncc3)cc2)c(C)c1 205191377 CBBTUIHEAVYTPE-UHFFFAOYSA-N 424.566 5.129 0 1 HKAF Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2cc(C3CC3)cc(C(F)(F)F)c2)CC1=O 205761955 VIFSFFNTNVNAJW-KRWDZBQOSA-N 416.443 5.191 0 1 HKAF O=C(NCc1c(F)cccc1Cl)Nc1conc1-c1c(Cl)cccc1Cl 299851162 AHIXKCFMRSIEQU-UHFFFAOYSA-N 414.651 5.763 0 1 HKAF Oc1ccc(-c2ccccc2-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 586899095 SWHYXEPCLDTRRY-UHFFFAOYSA-N 405.326 5.652 0 1 HKAF Cc1c(-c2nc3cc(Br)c(OCC(C)C)cc3[nH]2)oc2c1[C@H](O)CCC2 586905662 XYGDPZMOZXJPHM-OAHLLOKOSA-N 419.319 5.298 0 1 HKAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c(C)c(F)ccc4[nH]3)cc2)c1C 586946611 AZSGGWNOFLVRIW-UHFFFAOYSA-N 409.486 5.095 0 1 HKAF Cc1cc(C)cc(-c2nc3ccc(O)c4c3c(c2CCC(=O)O)-c2ccccc2C4=O)c1 586990946 OVSFXNBFVJGDAI-UHFFFAOYSA-N 423.468 5.453 0 1 HKAF COc1cccc([C@@H]2CCCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)c1 586991344 JNFNQSLZNHDAFG-KRWDZBQOSA-N 407.469 5.629 0 1 HKAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(C(F)(F)F)cc2[nH]1 587004008 URXMQMWNFNATIU-ZDUSSCGKSA-N 423.236 5.068 0 1 HKAF Brc1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)o1 587007682 NNNOHEHPRDNDKH-UHFFFAOYSA-N 420.886 5.110 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cnc(Br)cc4[nH]3)c21 587030344 DGQJIOIPQYLESN-LLVKDONJSA-N 413.344 5.679 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(C(C)(C)C)nc2[nH]1 587033826 BLUHELAOBUBHAP-HNNXBMFYSA-N 406.555 5.741 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5c(C)ccc(C)c5[nH]4)c23)cc1 587039277 SGOPPNQNBZXAFG-UHFFFAOYSA-N 416.575 6.452 0 1 HKAF N[C@@H](Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccccc1Cl 587055908 FPMOKOPSKCCDIJ-LBPRGKRZSA-N 418.644 5.240 0 1 HKAF Cc1ccnc2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc12 587064049 KRGAZKLLWGKWBY-UHFFFAOYSA-N 402.885 5.620 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(SC5CCCC5)cc4)nc13)-c1ccccc1C2=O 587102398 PCRHVOLBBNUOFD-UHFFFAOYSA-N 421.565 7.456 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c(F)c2)c(F)c1 587148525 JIRLTXRCKLDBRU-UHFFFAOYSA-N 405.231 6.491 0 1 HKAF CC(C)CCOc1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2cc1Br 587160621 DYAVDBDSLGRGTA-CVEARBPZSA-N 417.322 6.161 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1 587195233 FJXQNTXXOXLNTO-UHFFFAOYSA-N 407.301 5.611 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(OCc3ccccc3)cc2[nH]1)C(C)(C)C 587206664 XQZQHFPJABNHBB-OAQYLSRUSA-N 423.557 5.624 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCOc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 587326173 AIACGYLPNNGQRS-FYYLOGMGSA-N 410.828 5.222 0 1 HKAF COc1cccc([C@]2(C(C)(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587355267 XDFGWMLLXKNDHU-BVAGGSTKSA-N 420.480 5.840 0 1 HKAF CC(C)c1ccc2c(c1)[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355716 GIMOGNQUUUJEOD-AHWVRZQESA-N 418.464 5.692 0 1 HKAF C[C@@]1(c2cc3ccccc3s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587376973 ZIKYWFJIQLNCGC-VWNXMTODSA-N 404.462 6.020 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1cccnc1)(c1cccc(Cl)c1)CC2=O 587463942 ZYKSBLZRMHOPAH-DEOSSOPVSA-N 407.897 5.497 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3c(C(F)(F)F)nn(C)c3s1)CC2=O 587464690 WDMVJPQYCRUCGL-CQSZACIVSA-N 410.417 5.018 0 1 HKAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccc(C(C)(C)C)cc1)CC2=O 587469225 LOYWZRZREIRRCL-OXVFXORMSA-N 407.554 5.578 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OCc3ccccc3)c1)CC2=O 587480753 PFDJTDUXZWHGDX-AREMUKBSSA-N 402.490 5.804 0 1 HKAF O=C1C[C@@H](c2cc3cccc(C(F)(F)F)c3s2)Oc2c1ccc1c2CCCC1 587507373 LWFBEACAQTUDCR-SFHVURJKSA-N 402.437 6.505 0 1 HKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Oc1ccccc1 587599970 JPLGQPSUBYNKMZ-SQHAQQRYSA-N 424.452 6.196 0 1 HKAF CCCCCC[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613241 XMPZDRVAPKLQGS-ZEQKJWHPSA-N 418.489 5.925 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1 587692298 BBXHLYBCFORKSK-OVWNDWIMSA-N 420.713 5.255 0 1 HKAF CC(C)[C@]1(c2ccc(Cl)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587724156 DZXDIUJWDRKHGQ-JEOXALJRSA-N 414.721 5.815 0 1 HKAF CCOc1ccc([C@]2(C3CC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587801131 IUKBEXVFMWPLFC-ASSNKEHSSA-N 404.323 5.175 0 1 HKAF CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC 587801362 KRDKVOWFRNVQTK-MPBGBICISA-N 408.311 5.009 0 1 HKAF COc1ccc(C)c2c1CCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587804249 AJNNOMDCAIMOKY-ASSNKEHSSA-N 404.323 5.019 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(-c3ccccc3)cc2)N1 587813709 PJOWIBXCMCSXAV-FYSMJZIKSA-N 424.357 6.247 0 1 HKAF Cc1cc(C(C)(C)C)cc(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587816683 ZXLZQEPUNQHRTG-NPMXOYFQSA-N 418.394 6.300 0 1 HKAF Cc1ccc(-c2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 587820921 RJABSPKPTSHBMX-CMJOXMDJSA-N 410.330 6.187 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccc(-c3ccccc3)cc2)N1 587820970 RTLREPYEKLSYEZ-AOMKIAJQSA-N 424.357 6.463 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C=O)cc2)(C2CCCC2)N1 587821397 USSBPZAHNWLIRH-RCDICMHDSA-N 416.334 5.369 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC2(O)CCCCC2)(C(C)(C)C)N1 587822517 OOYBSTMLNYSNKW-SZNDQCEHSA-N 412.387 5.449 0 1 HKAF CCc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 587825512 AGSZODWBDHLWFU-DMZKTXOQSA-N 414.318 6.034 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccsc2Br)N1 587841368 ATZNMORKDUCWQU-CPFSXVBKSA-N 405.130 5.036 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nc(-c3ccccc3)cs2)N1 587855258 UCLZRFOXHVGBOK-FKIZINRSSA-N 417.347 5.509 0 1 HKAF FC(F)(F)c1c(Br)ccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc12 587950449 BPDXRDGFDURWHP-UHFFFAOYSA-N 411.221 5.943 0 1 HKAF COc1ccc2c(c1)[C@@](CC(=O)c1cccc(C)c1)(C(F)(F)F)N(C(C)C)CC2 962093996 VBDYDMPJSWJWSN-QFIPXVFZSA-N 405.460 5.301 0 1 HKAF Cc1ccc(-c2nc3ccccn3c2[C@@H]2NCCc3cc(-c4ccccc4)ccc32)cc1 962662892 MOZPVJKKHKTDOX-MUUNZHRXSA-N 415.540 6.212 0 1 HKAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@]21CCC[C@@H]1c1ccccc1Cl 962715155 SQHCIPFQMZZEQT-ZDWFVDTJSA-N 401.978 6.006 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(C)c(C)n(-c3ccc(OC)cc3)c2C)N1 962962737 YJPJQLDEYUIPGI-PPHZAIPVSA-N 413.565 5.906 0 1 HKAF Fc1cccc2c1[C@@](c1ccccc1CN1CC=CC1)(C1CCCC1)N1CCC[C@H]1C2 963110471 VMLBRJGJDDTITJ-CUBQBAPOSA-N 416.584 5.652 0 1 HKAF CCCc1ccc([C@]2(CCC3OCCCO3)c3ccccc3C[C@H](C)N2CCC)cc1 963259068 RAJCWUJYGYIKPR-RBISFHTESA-N 421.625 6.083 0 1 HKAF CCN=c1cc(-c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C)cc[nH]1 1857654757 DBFHMCHBVDTEAB-UHFFFAOYSA-N 414.431 5.574 0 1 HKAF C[C@]1(C2CCCCC2)O[C@@]2([C@@H]3CCC[C@@H](Cc4ccc(=N)[nH]c4)C3)CC[C@H]1[C@H](N)C2 2356292416 GUPREHWSCHTEKF-GPZQMVROSA-N 411.634 5.078 0 1 HKAF CCCCC[C@H](CO)c1cc(O)cc(C[C@@H]2CCC[C@H]([C@]3(C)C=CC[C@H](C)C3)C2)c1 2356498160 KRNHLAGJQXRKBU-PJKVMWRWSA-N 412.658 7.390 0 1 HKAF COc1cc2c(cc1CC=C(C)CCC=C(C)C)[C@H]1COc3cc(O)ccc3[C@H]1O2 2356545373 RQUGKUQXWLYLSN-ATIYNZHBSA-N 406.522 6.246 0 1 HKAF CC(=O)O[C@@H]1C=C(C)[C@H](OC(=O)c2ccc(O)cc2)CC=C(C)CCCC1(C)C 2356574401 YUURXLYREVDXOP-FGZHOGPDSA-N 400.515 5.342 0 1 HKAF C[C@@H]([C@@H]1CC[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@]35CC[C@]12C)N(C)C 2356681369 RJBBOSXUQGUNDD-AYWVRNHKSA-N 412.706 6.082 0 1 HKAF CC(C)=CCCC(C)=CCc1c(C)c(O)cc2c(C)c(-c3ccc(O)cc3O)oc12 2356711587 HGNADQPEQXZTSR-UHFFFAOYSA-N 406.522 7.069 0 1 HKAF COc1ccc(-c2sc3ccc(N4CCOCC4)cc3c2-c2ccc(O)cc2)cc1 36388689 ZPENSOVZOUPIQW-UHFFFAOYSA-N 417.530 5.786 0 3 HKAF CCN(CC)CCCNC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl 1634414 OYUKOFKURXFZKR-UHFFFAOYSA-N 408.373 5.128 0 1 HKAF CC(C)=CCC[C@]1(C)C=Cc2cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c(O)cc2O1 5158748 FZAZNGMSARSUNC-WIOPSUGQSA-N 422.477 5.421 0 1 HKAF endogenous,in-man CC(C)CCC[C@@]1(c2ccccc2)CC(=O)[C@H](SCCc2ccccc2)C(=O)O1 18023798 GLFAMZFRRNQVRB-ZCYQVOJMSA-N 410.579 5.569 0 1 HKAF CC[C@H]1C=C2NC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@@H]3[C@@H]21 27213544 YBSFMQHCAIWRPP-OANPNKHRSA-N 413.690 7.348 0 1 HKAF CC(C)c1cc2c(cc1C(C)C)N(C)c1ccccc1C(c1ccc(C(=O)O)cc1)=N2 27422354 WTPAPYCMZZSTEQ-UHFFFAOYSA-N 412.533 6.882 0 1 HKAF Cc1ccccc1[C@@H](SCCCN1CCC[C@@H](C(=O)O)C1)c1cccc(C)c1C 28902765 KRXMDHPSOWRMNO-ZJSXRUAMSA-N 411.611 5.621 0 1 HKAF CC(C)(C)c1nc2cc(S(=O)(=O)c3ccccc3)ccc2n1CC1CCCCC1 29046294 RXSCZTLKJCTNAQ-UHFFFAOYSA-N 410.583 5.747 0 1 HKAF COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12 34576111 ACNCCUVYXQGPKZ-UHFFFAOYSA-N 406.417 5.177 0 1 HKAF Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCCO 36477995 XMGHFPNAYBGQQU-UHFFFAOYSA-N 400.584 5.375 0 1 HKAF CCCCCCN[C@H](c1ccc(O)cc1)[C@H](NCCCCCC)c1ccc(O)cc1 39283062 PYRRFJMLFGBSEJ-CLJLJLNGSA-N 412.618 6.220 0 1 HKAF N=C(N)SCc1cc(F)cc2c1sc1c(CSC(=N)N)cc(Cl)cc12 43199850 YKJYRKGMTKPKAH-UHFFFAOYSA-N 412.968 5.100 0 1 HKAF NC(=O)c1cc(-c2ccccc2)cc2c([C@H]3CC[C@H](NCc4ccccc4)C3)c[nH]c12 45230858 QYTTXSNJNBGZLH-UNMCSNQZSA-N 409.533 5.360 0 1 HKAF COc1ccccc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccccc1 49808533 JYQFJBJVYZDINM-GIWBLDEGSA-N 406.482 5.540 0 1 HKAF Cc1ccc([C@@H]2CN3CCC[C@H]3c3cc(OCCCN4CCCCC4)ccc32)cc1 58509482 SHAFCOFWNARKDQ-SVBPBHIXSA-N 404.598 5.532 0 1 HKAF CC(C)N(C(=O)CC[C@]1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21)C(C)C 72109105 WWMMWNXFPQKJHN-VWLOTQADSA-N 421.972 5.734 0 1 HKAF COc1ccc(-c2ccc(NC(=O)c3ccc4cc(OC)ccc4c3)cc2OC)cc1 73198609 PLIKRHQPNMYJTE-UHFFFAOYSA-N 413.473 5.785 0 1 HKAF CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2ccc(Cl)c(c2)C1 73199237 VQNXOAVFMIVTAT-NSCUHMNNSA-N 406.917 5.311 0 1 HKAF c1ccc2cc(-c3nc4ccccc4n3-c3ccnc(NC4CCOCC4)n3)ccc2c1 95586173 PFISUKKTQWGHME-UHFFFAOYSA-N 421.504 5.227 0 1 HKAF CC[C@@H](C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1cccs1 100703432 MOCIKDHQSOTPNI-BDJLRTHQSA-N 415.584 5.984 0 1 HKAF CCCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(Cl)cc1 100703449 BTYITSCUIYZYLQ-OAHLLOKOSA-N 401.919 5.552 0 1 HKAF CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(Cl)cc1 103523546 CYOWLEIPGZJUCA-HSZRJFAPSA-N 422.956 6.789 0 1 HKAF CC[C@H](/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 135853360 RTLUSWHIKFIQFU-BZBMFACSSA-N 412.702 8.089 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CN2 137918735 VCYNHQOAZQMPOJ-OBOJVYGLSA-N 413.646 5.575 0 1 HKAF Cc1c(C2(N3CCCC3)CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccc(F)cc12 147101126 WHTRVVDECWQVKP-UHFFFAOYSA-N 419.588 5.938 0 1 HKAF Cc1noc(C)c1-c1ccc(CN(CC(C)C)S(=O)(=O)Cc2ccccc2)s1 148831535 KZLREOQCUWPADG-UHFFFAOYSA-N 418.584 5.008 0 1 HKAF CCc1nc2ccc(Cl)cn2c1CC(=O)NCc1ccc(-c2ccccc2)cc1 169328857 WRKBZMCVSXKJLD-UHFFFAOYSA-N 403.913 5.076 0 1 HKAF CC1=C(O)/C(=C/[C@@H](C)CCC/C=C(\C)CCc2coc(Cc3ccoc3)c2)OC1=O 238731521 AXEKDYZDPHMMNX-OWCWDOIGSA-N 410.510 6.421 0 1 HKAF O=C(CSc1ccc(C(=O)Nc2ccc(F)cc2)cn1)c1ccc2occc2c1 261180090 VXAGEDNXZHMTDN-UHFFFAOYSA-N 406.438 5.194 0 1 HKAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586918424 YSOMFZSECDGXPS-IBVKSMDESA-N 410.473 5.010 0 1 HKAF Cc1c(Br)ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 587017832 QSVRTDKZJUGWAL-UHFFFAOYSA-N 405.708 5.473 0 1 HKAF CCS(=O)(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1 587095367 VEAZCNVABPEGDV-UHFFFAOYSA-N 422.350 5.061 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(C(=O)OC(C)(C)C)cc4)nc13)-c1ccccc1C2=O 587098541 ZLDIIXPPINMASZ-UHFFFAOYSA-N 421.496 6.377 0 1 HKAF Nc1ncc(-c2cccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2)cn1 587255121 YNIRDTGFBBNYMS-UHFFFAOYSA-N 423.320 5.307 0 1 HKAF C[C@]1(c2c[nH]c3ccc(Cl)cc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330055 MXEGPRXGLXQIOE-LADGPHEKSA-N 421.855 5.940 0 1 HKAF CC[C@]1(c2c(F)ccc(F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332436 LNQRLDGEZVJKIB-CVDCTZTESA-N 416.370 5.613 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)c(Br)c1)(C1CC1)O2 587378310 UFPKTVYIMITEKX-LJQANCHMSA-N 406.707 5.264 0 1 HKAF COc1cc(Cl)ccc1-c1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587379466 VCBYGFFFURCUNG-DEOSSOPVSA-N 407.897 5.787 0 1 HKAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1cccc(F)c1 587385885 WBCUTYNFBRUVDM-JOCHJYFZSA-N 407.441 5.010 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccccc1Oc1ccc(Cl)c(F)c1)[C@@H](C2)C3=O 587426415 NHXWNCRJKVEMNP-QMHKHESXSA-N 410.828 5.769 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1cc(Cl)cn1 587496932 CMXHVRPMQYNCLZ-QHCPKHFHSA-N 422.912 5.179 0 1 HKAF O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H]1CCCC[C@H]2CN(Cc2ccccc2)C1 587519111 UNYJXJFQZLUOAU-GOTSBHOMSA-N 415.577 5.592 0 1 HKAF COc1ccccc1OCc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587534806 YYRFSANYWJEEJF-DEOSSOPVSA-N 404.462 5.453 0 1 HKAF CCCOc1ccc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546161 IUXGWXRMKRKNBC-REWPJTCUSA-N 410.853 5.537 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(C(O)(C(F)(F)F)C(F)(F)F)c2c1 587639798 CUFIZVORVNEENZ-LBPRGKRZSA-N 415.377 6.661 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3Br)c(C(=O)C(F)(F)F)c2c1 587641612 NLYQTPONFJGPQX-NSHDSACASA-N 424.260 6.856 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(Cl)c(Cl)cc32)N1 587695681 JDHJRRCYRUMATK-LZVRBXCZSA-N 415.133 5.619 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccc(Cl)c(Cl)c2)N1 587700601 ZLBBOBPOMSITHQ-QLJPJBMISA-N 417.149 6.103 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3Cl)o2)N1 587702499 ZVWSGKVHLFYZED-GIPWTMENSA-N 420.709 6.125 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2F)N1 587715401 HMMNWUDUMFMULL-VPTHRUTESA-N 417.091 5.113 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCN(Cc3ccccc3)C2)N1 587767991 SKXUANLJAKUQJH-OPAMFIHVSA-N 417.366 5.004 0 1 HKAF COc1ccccc1[C@]1(C2CCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587810490 XPLDYBHSHIJXGO-PEBXRYMYSA-N 418.350 5.565 0 1 HKAF CC(C)c1cccc2c1OCCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587834319 KSEZIYXCBOCUBP-RCDICMHDSA-N 418.350 5.662 0 1 HKAF COc1ccc(/C=C\Cc2nc3cc(Br)c(C)c(C)c3[nH]2)c(OC)c1 587928354 DPYLZBUWZCTWFU-WAYWQWQTSA-N 401.304 5.215 0 1 HKAF COc1ccc(C[C@@H]2CCC[C@]3(C2)c2cc(OC)c(OC)cc2C[C@@H](C)N3C)cc1 962621281 IWQAIKLXHREBST-FXABVQRQSA-N 409.570 5.217 0 1 HKAF COc1cc2c(cc1OC)[C@](c1cccc(F)c1)(c1ccccc1OC)N(C)[C@@H](C)C2 962623174 JYIHNLMFQPSUJI-QLXKLKPCSA-N 421.512 5.020 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc3cc(C)ccc3n(CC(C)C)c2=O)N1 962952616 VHEDNNBMTWGYRM-BCHFMIIMSA-N 413.565 5.461 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@]2(CC(C)(C)C)c1ccc(C2OCCO2)s1 963271900 XCAOKCGLHAUUIR-JOCHJYFZSA-N 421.990 5.281 0 1 HKAF CCCCCCC(C)(C)c1cc(OCCCO)c2c(c1)OC(C)(C)c1c[nH]nc1-2 1857543717 PLFOXXLWAYUPME-UHFFFAOYSA-N 400.563 5.713 0 1 HKAF CC[C@@H]1[C@@H]2C[C@@H](C)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]2[C@@H]1O 1857629161 HMFFTLAHHVVFKO-RPHOIXGSSA-N 418.662 6.389 0 1 HKAF O=C(Nc1ccc(CO)cc1)c1c(O)nc2ccc(Cl)cc2c1-c1ccccc1 1857655810 ZXKZFWVEQWBMBQ-UHFFFAOYSA-N 404.853 5.005 0 1 HKAF Clc1ccc([C@@H]2N=C(c3ccccc3)c3cc(Cl)ccc3-n3cnnc32)cc1 1857768983 JYEBPZBWRDTBCF-NRFANRHFSA-N 405.288 5.515 0 1 HKAF CC(=O)O[C@@H]1C=C(C)[C@@H](OC(=O)c2ccc(O)cc2)CC=C(C)CCCC1(C)C 2356574400 YUURXLYREVDXOP-FCHUYYIVSA-N 400.515 5.342 0 1 HKAF CC(C)CCC[C@H](CO)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356585391 OJUSVVMRDIXPCC-SHYRXIFHSA-N 402.663 6.361 0 1 HKAF CCC[C@@H](C)c1oc(=O)c(Cc2c(O)c(C)c([C@H](C)CCC)oc2=O)c(O)c1C 198656621 ZHBMRQNOQDAERK-CHWSQXEVSA-N 404.503 5.019 0 3 HKAF Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)Nc1cccc(Cl)c1Cl 3833979 HCXKSJKYSGOXPC-UHFFFAOYSA-N 417.340 6.429 0 1 HKAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCc1ccc(F)cc1 4214453 QZKUPLNQEUMMEB-SFTDATJTSA-N 402.535 5.260 0 1 HKAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCc1ccc(OCC)cc1 4274706 WJBOEGPDLZEEAW-GOTSBHOMSA-N 412.530 5.051 0 1 HKAF COc1ccc(NC(=O)O[C@@H]2C=C[C@H](c3c(C)nn(-c4ccccc4)c3C)C2)cc1 8624137 AVRJSRBYUGYYNK-PGRDOPGGSA-N 403.482 5.159 0 1 HKAF biogenic Nc1sc(Br)c(-c2ccc3ccccc3c2)c1C(=O)c1ccccc1 13518396 QQRSDFSJXBGQOS-UHFFFAOYSA-N 408.320 6.144 0 1 HKAF COc1cc2cnnc(Cc3c(Cl)cncc3Cl)c2cc1OC1CCCC1 13536028 FJBUIEZNAFNOQA-UHFFFAOYSA-N 404.297 5.252 0 1 HKAF CC[C@H](C)CCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)O 14490976 FMVRIKNURVCXAV-DQEYMECFSA-N 412.699 8.280 0 1 HKAF biogenic C[C@H](O)c1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1cccc2ccccc12 26569739 VUGWJNFNAADKDN-FXAWDEMLSA-N 400.497 5.881 0 1 HKAF CC1(C)CCC(C)(C)c2c1cc(O)c(C(=O)c1ccc3cc(C(=O)O)ccc3c1)c2F 26723573 FLAKAPZOPWMHOB-UHFFFAOYSA-N 420.480 5.963 0 1 HKAF Cc1ccc(C(=O)CSc2nc(Cc3cccc4ccccc34)c(C)c(=O)[nH]2)cc1 26850878 MSQUYQPJLHLJAK-UHFFFAOYSA-N 414.530 5.106 0 1 HKAF O=C(O)CC/C=C\C[C@H]1CO[C@@H](c2ccc(Cl)cc2Cl)O[C@@H]1c1cccnc1 27762006 XDZGJTGQHCYFCC-PJODTZOISA-N 422.308 5.602 0 1 HKAF Oc1ccc2c(c1)CO[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 28351479 DTGDVCGLMWPOPE-KAYWLYCHSA-N 415.533 5.270 0 1 HKAF CC(C)(C)NCc1ccc2c(c1)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)c1C2 28822277 ZZWJYCUEVXJKDX-UHFFFAOYSA-N 409.533 5.909 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C)C[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 36189448 PVJNSDNELNARLT-APYFDJFPSA-N 413.690 6.950 0 1 HKAF CC(C)(C)ONC(=N)c1ccc2[nH]c(-c3cccc(-c4ccccc4O)c3O)cc2c1 40556723 WRBHHPSLLHHGAJ-UHFFFAOYSA-N 415.493 5.558 0 1 HKAF COc1ccc(O)c(C(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C2=CCCCC2(C)C)c1 40878755 IUXYYPKUBGKVED-NTBWBLTPSA-N 422.565 6.699 0 1 HKAF O=C(Nc1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1)c1ccccc1 40951284 ZNEQMBVHPXPAGK-UHFFFAOYSA-N 415.428 5.061 0 1 HKAF O=C(CCCCCCn1cc(-c2cccnc2)nn1)n1c2ccccc2c2ccccc21 45287365 GQHHBDMALPGTRT-UHFFFAOYSA-N 423.520 5.739 0 1 HKAF Oc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1 45384434 TYYLCNGTIYJAJY-UHFFFAOYSA-N 404.267 5.341 0 1 HKAF Cc1ccc(C)c(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1 63539858 MNYJVMFULVPZRH-UHFFFAOYSA-N 403.511 5.510 0 1 HKAF FC(F)(F)c1cc(Oc2cncc(NCc3ccco3)n2)cc(C(F)(F)F)c1 82068746 WNJUYTZCECYXOR-UHFFFAOYSA-N 403.282 5.512 0 1 HKAF Cc1ccc(CNc2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccc(F)cc3)n2)o1 82136250 OXIUJFQMXBLLIP-VFNWGFHPSA-N 422.504 5.105 0 1 HKAF Cc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2ccc(O)cc2c1=O 84654188 DKTGTRLZGFFKCI-UHFFFAOYSA-N 412.367 5.170 0 1 HKAF C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 95601884 QCNXGTHMVPSAAC-MRXNPFEDSA-N 409.445 5.449 0 1 HKAF O=C1O[C@@](COc2ccccc2)(c2ccccc2)CC(O)=C1SCc1ccccc1 100364138 DXJOLJKAZMNKNK-VWLOTQADSA-N 418.514 5.611 0 1 HKAF COc1ccc(OC)c([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccc4ccccc4c32)c1 100704135 ASTQUGPWMJWPKX-VWLOTQADSA-N 413.517 6.707 0 1 HKAF CCCCCn1cc(C(=O)NC23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)c(=O)c2cnccc21 101152528 LSENZBIVROPMEM-VFNQFOGHSA-N 421.585 5.066 0 1 HKAF O[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccc(F)cc12 101185548 CYOBJTAQBGDFGU-FAQVEIGNSA-N 420.311 5.893 0 1 HKAF O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1cc(NCCc3ccccc3)ccc12 102876333 JURUHTNYTBTIQN-ATIYNZHBSA-N 412.533 5.912 0 1 HKAF CC(C)Cc1nc2ccc(OCc3ccc4ccccc4n3)cc2n1-c1ccccc1 103245989 RCLCJLXVDIQAAY-UHFFFAOYSA-N 407.517 6.351 0 1 HKAF Clc1ccc(N2[C@@H](c3ccccc3)[C@]23C(c2ccccc2)=Nc2ccccc23)cc1 103276153 OLKAHVVUDOZSQY-WPVVHWIUSA-N 406.916 6.931 0 1 HKAF Cc1ccc(S(=O)(=O)c2cnc3cc(F)ccc3c2-c2ccc(F)cc2)cc1C 115926051 TTYZZXSURSVTIC-UHFFFAOYSA-N 409.457 5.630 0 1 HKAF CC(C)C/C=C/[C@@H](CO)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137552295 FJZWOTQYPZTQLK-OEDCKINTSA-N 402.663 6.217 0 1 HKAF Cc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(N3CCC(C)CC3)c2c1 137690352 RTZNDQTZQOHCKL-UHFFFAOYSA-N 408.567 5.229 0 1 HKAF O=C(O)C[C@H](NC(=O)c1cccc(-c2ccccc2Cl)n1)c1ccc(Cl)cc1 203336815 TXIXGAUGCBHQBF-IBGZPJMESA-N 415.276 5.001 0 1 HKAF O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Nc2cccc(F)c2)cc1 205323749 GXUDMPZWYDVEHX-UHFFFAOYSA-N 407.876 5.677 0 1 HKAF Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccccc3C(F)(F)F)c2F)cn1 224557356 QBDKZQKCIRXMDR-UHFFFAOYSA-N 417.406 5.730 0 1 HKAF CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(-c2ccsc2)nc2ccc(OC)cc12 253635752 CCUUAAWNWMSJJT-FLBGIQCYSA-N 408.567 5.126 0 1 HKAF CN[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@@H](C)N(C)C)CC[C@]4(C)[C@H]3CC[C@H]2C1(C)C 257460791 KAJJJHQOCJKBCL-HPQOLWPCSA-N 402.711 6.210 0 1 HKAF O=C(O)[C@H]1CC[C@H](CNc2nc(-c3ccccc3)cc(-c3ccccc3Cl)n2)CC1 299830973 ZLOLNFVYIFLXMJ-SAABIXHNSA-N 421.928 5.767 0 1 HKAF Oc1c(-c2ccccc2)cccc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 586896919 UOCIBIBPILCEQH-UHFFFAOYSA-N 401.210 5.643 0 1 HKAF Oc1ccc(-c2ccccc2-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1 586897955 BBIFKNNTNJZTLL-UHFFFAOYSA-N 400.663 5.413 0 1 HKAF Cc1nc(-c2ccccn2)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586994421 RJUAUHUFANDKGF-UHFFFAOYSA-N 421.481 5.646 0 1 HKAF O=C1CCc2cc3nc(-c4ccc(Cl)c(-c5ccc(Cl)cc5)c4)[nH]c3cc2N1 587048205 REUIJNRZROCEDC-UHFFFAOYSA-N 408.288 6.088 0 1 HKAF CCCCCOc1cc2nc(CCc3ccccc3Cl)[nH]c2cc1Br 587059382 PRFKVUJDVKWELU-UHFFFAOYSA-N 421.766 6.333 0 1 HKAF Clc1ccccc1OCc1ccc(-c2nc3nccc(Br)c3[nH]2)o1 587065047 RXMAUGBLRUBNAM-UHFFFAOYSA-N 404.651 5.213 0 1 HKAF O=C(O)c1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2cc1F 587069513 CGICIFLJCLGZOU-UHFFFAOYSA-N 402.212 5.436 0 1 HKAF Cc1c(-c2ccc3c(c2)cc(O)n3C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587096397 AHMWNPMBVBMPBU-UHFFFAOYSA-N 404.469 5.927 0 1 HKAF CCOC(=O)Cc1ccccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097358 LTJBVCYERUWWQR-UHFFFAOYSA-N 407.469 5.527 0 1 HKAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587109358 NADKBGNLRUURQM-UHFFFAOYSA-N 408.685 5.619 0 1 HKAF Cn1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(C(F)(F)F)c1 587111954 IXVSHDRLHWAZDS-UHFFFAOYSA-N 412.131 5.369 0 1 HKAF FC(F)(F)Oc1ccc2c(-c3nc4cc(Oc5ccccc5)ccc4[nH]3)n[nH]c2c1 587126905 IAFITCZPHXEPQM-UHFFFAOYSA-N 410.355 5.797 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Cl)c(F)cc3[nH]2)c(Cl)c1 587158692 KCLXFINLRXNBBU-LJQANCHMSA-N 405.231 6.316 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3cncc(F)c3)[nH]c12 587177075 NTTZJMAYNHPMSC-UHFFFAOYSA-N 400.335 5.035 0 1 HKAF CC(C)(C)[C@]1(Cc2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349224 TXZATIPBMOYWLF-RCZVLFRGSA-N 405.469 5.313 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC=C(c2ccc(F)cc2)C3)c1 587358929 BTHBVWLTLFUNLT-UHFFFAOYSA-N 421.471 6.978 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ccc(C(C)(C)C)cc3)cc1)O2 587402979 JQDKTLWYHXMCMI-DEOSSOPVSA-N 401.506 6.374 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)ccc1OCc1ccccn1)CC2=O 587487041 CULDEPPCZGGDIQ-XMMPIXPASA-N 419.477 5.034 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cccc3ccccc13)CC2=O 587491686 YJVJBIVLDPOSNM-NDEPHWFRSA-N 408.497 6.407 0 1 HKAF Cc1cc(OCc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)ccc1Cl 587509788 XFPULFGDBGJVHT-XMMPIXPASA-N 422.908 6.406 0 1 HKAF C[C@@H](C(=O)O)n1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587516641 ULEOMFDNTKCALO-ODCWNRFASA-N 403.478 5.046 0 1 HKAF CCCC/C=C/CCCCCCCCC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527862 XBVIORLTMRKKIS-QQHIZMLBSA-N 410.642 8.157 0 1 HKAF C[C@@]1(c2cc(Cl)c(Cl)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557128 LROWSURHEIJEFG-RXVVDRJESA-N 419.235 5.715 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccc(F)cc2)s1 587572036 QKYGYSKORWVESJ-UGKGYDQZSA-N 419.433 5.358 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(-c2ccccc2)s1 587619436 SMBAJJZLFCQWTA-UGKGYDQZSA-N 401.443 5.219 0 1 HKAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccc(Br)cc1F 587622243 GQJKHGMINHZPNL-UHFFFAOYSA-N 423.083 5.684 0 1 HKAF CCOC(=O)c1c(-c2cc(F)ccc2Br)[nH]c2c(C)cc(Cl)cc12 587625069 ZWCMAYCGHRLQBV-UHFFFAOYSA-N 410.670 5.875 0 1 HKAF COC(=O)c1cc(-c2[nH]c3c(C)cc(Cl)cc3c2C)cn1C(=O)OC(C)(C)C 587627483 YAORFYGOWFRKFQ-UHFFFAOYSA-N 402.878 5.476 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3F)c(CCC3OCC(C)(C)CO3)c2c1 587640376 CQENQOHKBMGIEA-KRWDZBQOSA-N 409.545 6.819 0 1 HKAF Cc1cc2c(c(C)c1Cl)[C@]1(CCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587700037 UGIAOEGDMWHRNV-PRWKNARSSA-N 424.741 5.419 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)[nH]c3ccccc23)N1 587704561 JJOZIMJFHKCEJB-DGIBIBHMSA-N 407.714 5.521 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2C(F)(F)F)N1 587709498 ASWIFYTZHPSMGJ-PWJLMRLQSA-N 406.192 5.370 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(OC(F)(F)F)c2)N1 587718620 JBSYYPMWNKZQSZ-ZKANADHPSA-N 422.191 5.250 0 1 HKAF CCc1ccc(-c2cnc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 587774683 NTXALPSULLKQEW-ODXCJYRJSA-N 415.306 5.429 0 1 HKAF CCOc1ccc(OCC)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587801560 LRGOTZOAIWMQIZ-ZSEKCTLFSA-N 422.338 5.183 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCCC3)Oc3ccccc32)N1 587836751 BFJWWVWSXWFLPI-PEBXRYMYSA-N 416.334 5.461 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C)c(CC)s1 587861909 YAWUIBBINJXLFO-UHFFFAOYSA-N 409.338 5.876 0 1 HKAF COc1ccccc1-c1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)cc1 587930595 FGGQWAPTCUQDBV-UHFFFAOYSA-N 414.690 5.716 0 1 HKAF Fc1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1Br 587950179 QCDFHXATUMUCCE-JLHYYAGUSA-N 409.258 6.427 0 1 HKAF COc1ccc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1OCc1cccc(F)c1 963090268 ITYBGGZWOKHLAP-NVQXNPDNSA-N 421.487 5.662 0 1 HKAF COC(=O)c1ccccc1-c1ccc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN32)cc1 963092470 AXUKKIDWNAQUKI-PXDATVDWSA-N 401.481 5.389 0 1 HKAF CCCc1ccc([C@@]2(c3ccccc3Cl)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963115153 URJZTBFTHDAOHJ-HOFKKMOUSA-N 419.971 6.744 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1sc(-c2ccc(Cl)cc2)nc1C 963256538 DHJCVURURBKVKX-VOIUYBSRSA-N 411.014 6.692 0 1 HKAF CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OC)NC(=O)[C@@H](N)[C@@H](C)CC 1772642703 HZWHYHHHTXKWID-SDDCHMJESA-N 424.670 5.665 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4CCCC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356285660 DYMJMYRIBWWKMH-RXIKJTJQSA-N 414.718 8.025 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1cc(C(=O)O)ccc1O 2356481814 AQVOANKSGFAANH-UHFFFAOYSA-N 410.598 7.779 0 1 HKAF CC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3C)cc2)cc1 13442515 QTJDAXPHEZBXPA-UHFFFAOYSA-N 421.501 5.112 0 1 HKAF COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(Oc3ccccc3)c2c1 13536048 KKUKTBVEYAJFEF-UHFFFAOYSA-N 412.276 5.723 0 1 HKAF COc1cccc([C@@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)c1 13741236 JUKIMUWEPBMDHU-HHHXNRCGSA-N 421.540 5.927 0 1 HKAF O=C(O)c1ccc2cc(-c3ccc(CO)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1 13745047 FICUSZQKSIPECZ-UHFFFAOYSA-N 412.529 6.165 0 1 HKAF Fc1ccc2c(c1)[C@@H](OCc1c(Cl)cccc1Cl)[C@@H](Cn1ccnc1)S2 13775804 ZLMUODFOEBTRJA-RTBURBONSA-N 409.313 5.761 0 1 HKAF CO[C@@H](C1CCCCC1)[C@H](C)[C@@H](OCc1cccc(Br)c1)[C@@H](C)CO 13783000 DMJFQFIGRLPWIE-LXDRIQHSSA-N 413.396 5.194 0 1 HKAF CC(C)(C)c1cc(-c2nnc(SCC(F)(F)F)s2)cc(C(C)(C)C)c1O 13796369 HYPDPUFNFYZDEY-UHFFFAOYSA-N 404.523 6.160 0 1 HKAF Clc1ccccc1CO[C@@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 27547896 MCBFENXHBLXDFW-RRPNLBNLSA-N 417.980 6.152 0 1 HKAF CS(=O)(=O)c1ccc(-c2cnc(Nc3ccccc3)nc2-c2ccc(F)cc2)cc1 43014055 VOUVVXFHPYNZOA-UHFFFAOYSA-N 419.481 5.097 0 1 HKAF CCCOc1ccc(Oc2ccc(-c3ccc([C@@H](C)NC(=O)C4CC4)cc3)cn2)cc1 45259832 JTYONEGOKGKLSZ-GOSISDBHSA-N 416.521 5.917 0 1 HKAF C[C@H](Nc1ccc(C(N)=O)c2[nH]c3cc(-c4ccc(Cl)nn4)ccc3c12)C(C)(C)C 72125040 MXMNITSDXKDKHO-LBPRGKRZSA-N 421.932 5.377 0 1 HKAF C[C@@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@@H]2CCN(CCc3ccccc3)C[C@@H]21 73163509 MEFBNOXISJBUAP-DJPFJPOOSA-N 412.499 6.027 0 1 HKAF O=C(c1ccccc1)c1ccc(Oc2cc(NCc3ccc(Cl)cc3)ncn2)cc1 82068391 VGEPYAASMRDOAV-UHFFFAOYSA-N 415.880 5.765 0 1 HKAF CCCCCc1nc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccc(F)cc2)oc1C 82164433 SITJNVOIEYTXCP-LJQANCHMSA-N 424.520 5.570 0 1 HKAF CCc1cnc(-c2cnc(NCCc3ccc(C)cc3)nc2-c2ccccc2F)s1 82176186 PIRIWHQECAMVPQ-UHFFFAOYSA-N 418.541 5.932 0 1 HKAF COc1ccc(-c2nc3cc(C)ccc3n2Cc2cc(OC)c(OC)c(OC)c2)cc1 95556022 IKDQPJVFRIGXLA-UHFFFAOYSA-N 418.493 5.094 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H]1SCC(=O)N1c1ccc(Cl)cc1 95560056 HPTHUMWGDKHRBF-IBGZPJMESA-N 421.374 6.204 0 1 HKAF O=C(Nc1cccc(Nc2ccc3c(c2)OCc2ccccc2C3=O)c1)c1ccoc1 95572862 YTVRENPFDWZOJJ-UHFFFAOYSA-N 410.429 5.399 0 1 HKAF O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2cc(Cl)c(C(F)(F)F)cc2N1 101150252 KUMADDIKXWCDPV-UHFFFAOYSA-N 404.779 5.008 0 1 HKAF CCOc1ccc(COc2ccc3c(c2)cc2n3CCC[C@H]2CC(=O)O)cc1OCC 117795144 OURDNEYNJXXFAW-SFHVURJKSA-N 423.509 5.370 0 1 HKAF CC(C)[C@H](C)[C@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137558317 VYPDNFZRAJIGCV-AJIHLJFHSA-N 414.718 7.571 0 1 HKAF c1cnc(Oc2ccc(Nc3nc4ccccc4s3)cc2)c([C@@H]2CCCOCC2)c1 139129116 MLPSMZMGBDEJHO-QGZVFWFLSA-N 417.534 6.511 0 1 HKAF COc1c([C@H]2CN(C)Cc3cc(-c4ccc(C)nn4)ccc32)ccc2sccc12 149744092 TWKWOGUGCQDBEG-NRFANRHFSA-N 401.535 5.253 0 1 HKAF CCn1c2c(c3ccccc31)[C@H](c1ccccc1)C[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21 195452423 GIGCLYBFUBFOQU-HWBMXIPRSA-N 420.512 5.470 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](C)CC(=O)[C@](C)(CCC(=O)O)[C@H]3CC[C@]12C 253669612 GOSURFASCRNOMA-CUQVBBLVSA-N 418.662 6.988 0 1 HKAF C[C@H](O)[C@@H](C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 255272391 UXZPNUUPUOEZMX-UVUMNFPZSA-N 412.658 6.734 0 1 HKAF COc1ccc(F)cc1-c1c(-c2ccccc2)[nH]c2c(NS(C)(=O)=O)cccc12 473110119 VBGYFNUDIFNZRO-UHFFFAOYSA-N 410.470 5.021 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@H]4C(=O)[C@](C)(CC[C@@H]4O)[C@H]3CC[C@@]21C 473123516 VPKWIKLBCGVCGU-RFEZLNJMSA-N 414.630 5.459 0 1 HKAF COc1cc(/C=C\c2nc3cc(Cl)c(F)cc3[nH]2)cc(Cl)c1OCC(C)C 587046312 FSJYWHKZLPZXKN-PLNGDYQASA-N 409.288 6.223 0 1 HKAF N[C@@H](N=O)c1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587069654 LWHFKAUCKOELQW-UFIOJNINSA-N 416.912 6.113 0 1 HKAF CCCCC[C@H](C(=O)OCC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097724 NSKSTOUFICNYOU-IBGZPJMESA-N 401.506 5.982 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1F 587150163 KYKCIIWOZVJCCV-QFIPXVFZSA-N 408.404 5.171 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C(=O)C(F)(F)F)CC3)c1 587359609 HKZRJBFYDCACBY-MRXNPFEDSA-N 411.379 5.818 0 1 HKAF COc1cccc(-c2c(CC(=O)O)c(-c3cccs3)nc3c2oc2ccccc23)c1 587364798 HUGGEMBLLDFICM-UHFFFAOYSA-N 415.470 6.012 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3cccnc3c1OC(=O)c1ccccc1)O2 587394588 HYZXTTMGHGNLEZ-QFIPXVFZSA-N 424.456 5.051 0 1 HKAF COc1ccc2c(c1)OC(C)=C(c1ccccc1)[C@]21CC(=O)c2cc(C)cc(N)c2O1 587410550 XVHIILLMTUILEB-SANMLTNESA-N 413.473 5.270 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2Sc2cc3ccccc3cc21 587415897 YWWBZPBZRLDTES-SANMLTNESA-N 409.510 6.104 0 1 HKAF COc1cc2c3c(c1)O[C@](c1cc(C)ccc1C)(c1ccccc1Cl)[C@@H](C2)C3=O 587421687 WOWBVRZPEGOBEG-CPJSRVTESA-N 404.893 5.657 0 1 HKAF CCCCOc1c(Cl)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587423134 SJGBMVSSFCADOJ-QVKFZJNVSA-N 402.874 5.025 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3cccs3)c(OC)c1)CC2=O 587492135 AWYBLYIJUAUWBO-QFIPXVFZSA-N 424.518 5.700 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@H](c1ccccc1)c1ccccc12 587605446 ZUPVYQLXGYHRLT-AHCMPFEKSA-N 420.464 5.785 0 1 HKAF CCOC(=O)c1[nH]c2ccc([C@H](C)CC)cc2c1C(=O)c1ccc(Cl)cc1Cl 587639700 BRRNBAUFGXEGQZ-GFCCVEGCSA-N 418.320 6.396 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H]2c2ccc(Cl)cc2)N1 587697063 LGQSAAISOXWRSH-QROBEVECSA-N 408.742 5.939 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)ccc2Cl)N1 587712306 OIQPWUDRHQFOFI-VPTHRUTESA-N 422.647 5.884 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SC(F)F)cc2)N1 587720719 UHSVLVLTPLBZGQ-XXFAHNHDSA-N 402.279 5.527 0 1 HKAF CCCCOc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587798571 YZQLKPCJCNUUDP-QKKBWIMNSA-N 406.339 5.565 0 1 HKAF COc1ccc2c(c1)C(C)(C)C[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587812520 ZTYOUCMRFLGWPJ-QKVFXAPYSA-N 404.323 5.056 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2C[C@@H]3C=C[C@H]2C3)N1 587821223 TZJDUWGPHISWKJ-MWEKXDPSSA-N 412.346 5.578 0 1 HKAF CCCCC[C@@]1(c2ccc(O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587832071 JDMQDNSKZZOJER-SZNDQCEHSA-N 406.339 5.652 0 1 HKAF CC(C)[C@]1(c2ccc(Cl)s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587846904 JHEOGSMKXWZHMK-DYZYQPBXSA-N 402.760 5.737 0 1 HKAF COc1cc(-c2ccccc2)c(OC)n1-c1cc(OC(C)C)c(Cl)cc1Cl 587942983 GCOIEGNBUAFXCM-UHFFFAOYSA-N 406.309 6.256 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 685935324 RTLUSWHIKFIQFU-ADVSALPHSA-N 412.702 8.089 0 1 HKAF biogenic,in-vitro Cc1ccc(COc2ccc(Br)cc2[C@H]2NCCc3ccc(O)cc32)cc1 963352651 NELZIGBCSNSMSY-QHCPKHFHSA-N 424.338 5.277 0 1 HKAF CCC(C)(C)[C@@]1(c2cccc(Cl)c2Cl)NCC(C)(C)c2cc3c(cc21)OCO3 963390307 HHOGJXUODXGRHU-QHCPKHFHSA-N 420.380 6.283 0 1 HKAF O=C(O)C[C@H](c1cccc(-c2cccc(OCc3ccccc3)c2)c1)c1nccs1 1772613422 UBBMIJGMBAYPCT-HSZRJFAPSA-N 415.514 5.996 0 1 HKAF CCO[C@@H](C)n1cc(-c2cnc(N)c(O[C@H](C)c3cc(F)ccc3Cl)c2)cn1 1911576053 GJJHXRIDXNYJST-OLZOCXBDSA-N 404.873 5.015 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CCC1=CC(=O)O[C@@H]1OC(=O)OC(C)(C)C 2356337051 UJVJNBBSPRJHGY-NSQSBTTJSA-N 418.574 6.326 0 1 HKAF CC[C@H](C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356478779 RTLUSWHIKFIQFU-JTZSGGAKSA-N 412.702 8.089 0 1 HKAF CC(C=CC=C(C)C=C[C@@]1(O)C(C)(C)CCC[C@@]1(C)O)=CC=CC=C(C)C(=O)O 2356632252 YBWOXWSKTIHNHZ-JWQCQUIFSA-N 400.559 5.271 0 1 HKAF CC(C)C[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356663534 KYFQWFLHOZFGNN-IPRZJCNQSA-N 410.686 7.721 0 1 HKAF CO[C@@H]1CC(=O)[C@@H]2[C@@]34CC[C@@H]5[C@H](CCC(C)C)CCC[C@@H]5[C@]3(C)[C@@](C)(CC4)[C@]12O 2356846641 OPAUAZBACXZIPA-AQZBBKAMSA-N 402.619 5.390 0 1 HKAF Cc1ccc(OCc2cc(C(=O)N3CC[C@@H](c4ccccc4Cl)C3)no2)cc1C 12582259 RIIVFFAFGCJNKW-QGZVFWFLSA-N 410.901 5.154 0 3 HKAF CN1C(=O)[C@@H]([C@@H](Nc2ccccc2)c2ccc(Br)cc2)c2ccccc21 206048703 HTUIAVIVZAOCMD-RTWAWAEBSA-N 407.311 5.363 0 3 HKAF C[C@H]1Oc2c3c(c4c(-c5ccccc5)cc(=O)oc4c2[C@H](O)[C@H]1C)OC(C)(C)C=C3 6499575 BXENDTPSKAICGV-PXIJXODZSA-N 404.462 5.095 0 1 HKAF FC1(F)CCN(CCc2ccc(C3=CC[C@H]4CN(Cc5ccccc5)C[C@H]34)cc2)C1 29127988 ARXINUPRMISVLG-ZCYQVOJMSA-N 408.536 5.105 0 1 HKAF O[C@@](C[C@@H]1CCCN2CCCC[C@H]12)(c1ccccc1)c1ccc(-c2ccccc2)cc1 38728493 CFPXIUWNGQSGTA-OYFGVDPJSA-N 411.589 6.244 0 1 HKAF CC(C)c1c(Nc2ccccc2)cc2c(c1N)C[C@@H]1[C@](C)(CCC[C@@]1(C)C(=O)O)C2 40392597 GAQHRNDCFWFCHN-LPPUWEFUSA-N 406.570 6.132 0 1 HKAF COc1cccc([C@@H]2c3c(nc4c(c3N)CCCC4)Oc3ccc4ccccc4c32)c1 71329593 KSDJTELWHBDLIN-QHCPKHFHSA-N 408.501 5.990 0 1 HKAF CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2)C2=C(O)CC(C)(C)CC2=N1 103993749 UOBMREOJQINWMU-HSZRJFAPSA-N 401.506 5.874 0 1 HKAF Cc1ccc(N[C@H](C)c2cc(C)c(Cl)c(C)c2)cc1CN1CC[C@@H](C(=O)O)C1 118390717 SDDKYJHBUXMPKD-QZTJIDSGSA-N 400.950 5.345 0 1 HKAF COc1cc(N[C@H](C)CCCN)c2nccc(CCSc3ccc(F)cc3)c2c1 169334227 ZFSHZPYHUQALKS-MRXNPFEDSA-N 413.562 5.257 0 1 HKAF CCc1cc2c(-c3c(C)cc(O)c4c(OC)cccc34)c(OC)cc(OC)c2c(C)n1 238748670 NLKSVIMERWDNRZ-UHFFFAOYSA-N 417.505 5.966 0 1 HKAF CCCCCOc1cc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586885531 VVIAZURGRDUMPV-DUQZYUJVSA-N 417.391 6.362 0 1 HKAF CC(C)c1cc(-c2nc3cccc(I)c3[nH]2)c(O)c(C(C)C)c1 586895983 DYDCMSADOJNISZ-UHFFFAOYSA-N 420.294 5.787 0 1 HKAF Oc1c(-c2ccccc2)cccc1-c1nc2cccc(I)c2[nH]1 586897141 YLABMVFLZHRTKS-UHFFFAOYSA-N 412.230 5.207 0 1 HKAF CCCCOc1cc2nc([C@@H]3COc4ccccc4O3)[nH]c2cc1Br 586918877 SRLHOBBEKNDYHM-SFHVURJKSA-N 403.276 5.017 0 1 HKAF COC(=O)Oc1ccc(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)cc1 586990848 GQYUSFKGYIRFLR-UHFFFAOYSA-N 411.413 5.272 0 1 HKAF C/C=C\COc1ccc(CCc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586993717 ZORFUWGXGDJPOS-IHWYPQMZSA-N 421.496 5.892 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(Cl)c(Cl)cc4O)nc13)-c1ccccc1C2=O 586993807 PYHOPEBIHWOAMI-UHFFFAOYSA-N 406.268 6.434 0 1 HKAF Cc1cc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Cl 587033355 YSCXIXCRQJLZOS-URXIRXLPSA-N 418.975 5.652 0 1 HKAF Fc1cc2[nH]c(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc2cc1Cl 587071875 TZBPLERFLLQILP-RMKNXTFCSA-N 413.279 6.758 0 1 HKAF Cc1c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587166645 YOALHNOANPYLEV-UHFFFAOYSA-N 413.521 6.834 0 1 HKAF C[C@]1(c2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334744 PWFBBGAPFDYKSC-IFMALSPDSA-N 400.808 5.598 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3ccc(O)cc32)[C@H]1c1ccc(F)cc1 587358190 WBUNDPAVXRQFIM-BDYUSTAISA-N 424.427 5.520 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](c3ccccc3)N(C)[C@@H](c3ccccc3)C1)O2 587392535 BLNFQAVZYDXKAP-NPIYKFRDSA-N 412.533 5.489 0 1 HKAF COc1cc2c3c(c1)O[C@@](Cc1ccc(C)cc1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587420113 HCMPFQABAWLXMN-OFVILXPXSA-N 404.893 5.543 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1nc(-c4ccc(Cl)cc4)n4ccccc14)[C@@H](C2)C3=O 587422623 RDBIBIBSTMYJAY-GAJHUEQPSA-N 416.864 5.152 0 1 HKAF CCc1ccc(-c2[nH]c3ccccc3c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587439539 WFTVWIUTQSVNDG-HRFSGMKKSA-N 409.485 5.895 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(Br)ccc3C1)CC2=O 587459946 ZTWCXDNUFKATLZ-OAQYLSRUSA-N 401.300 5.000 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(Cl)ccc1N)CC2=O 587459977 FIFAXCNAFXIHQD-XMMPIXPASA-N 407.897 5.489 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc3cc4c(cc3nc1Cl)CCC4)CC2=O 587463397 YRYNUUJSZSGTNU-QFIPXVFZSA-N 407.897 5.742 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(CN3CCC[C@@H](C)C3)c1)CC2=O 587474316 DXUKJALFHRMZGA-NSYGIPOTSA-N 423.553 5.292 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)ccc1OCc1ccccn1)CC2=O 587487040 CULDEPPCZGGDIQ-DEOSSOPVSA-N 419.477 5.034 0 1 HKAF CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587505051 SQYXKSMMKWLXBM-HXUWFJFHSA-N 401.300 5.433 0 1 HKAF O=C(O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1 587530751 HFXJSOXQSADJBY-HXUWFJFHSA-N 404.487 5.699 0 1 HKAF CCOC(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587531855 IHJANGFHPLEBJX-XMMPIXPASA-N 416.473 5.709 0 1 HKAF CCc1ccccc1NC(=O)c1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625360 GLVZIPVQGLMJRQ-UHFFFAOYSA-N 414.349 6.329 0 1 HKAF CCOC(=O)Cc1c(-c2cccc(SC(F)(F)F)c2)[nH]c2c(C(=O)O)cccc12 587637047 BDLUXLHXZJTHDR-UHFFFAOYSA-N 423.412 5.251 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc(Cl)cc3)CC2)N1 587702865 WZCJCZFSCQYVFK-ZDUSSCGKSA-N 423.757 5.272 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)(F)F)c(Cl)c2)N1 587716292 ZEIUILOVLUDHPC-VPTHRUTESA-N 422.647 5.884 0 1 HKAF CC[C@]1(c2cccc(Cl)c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587726213 WDNZKHYUNOQQFJ-MLCYQJTMSA-N 400.694 5.569 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(C3CCC3)c2F)N1 587726266 HRMSXSFTIIWGKQ-XUSGNXJCSA-N 406.314 5.793 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2OCC2CC2)N1 587727880 PTZHSJVPRKJYPC-BIBXISHDSA-N 408.286 5.140 0 1 HKAF Cc1ccc(/C(=C/N(C)C)[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587744503 BLLDDASUTQJQSC-SKZQCYPRSA-N 403.339 5.075 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccccn2)N1 587770428 JMRBUMOHTAJAEV-OYHNWAKOSA-N 411.318 5.004 0 1 HKAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC(C)C 587792745 MIBDCUTUTAEPBZ-YUNKPMOVSA-N 408.311 5.008 0 1 HKAF CCCCCOc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587795130 QSXXBNCXTISSPR-IVZQSRNASA-N 420.366 5.955 0 1 HKAF Cc1ccc(C[C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587814722 VBWCKNGZLRKLCS-OSPHWJPCSA-N 424.357 5.917 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)Cc2ccccc2-3)N1 587824626 XWWNONCIGMSKAV-NPMABZOXSA-N 408.314 5.783 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)s2)N1 587847617 LTAWQDWYKAXDLY-GLEZIHRCSA-N 419.157 5.210 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(O)cc3)s2)N1 587848975 QJWJGPQAKSEYCG-GIPWTMENSA-N 418.331 5.646 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)n1cc(Cl)cn1 587857011 ZNGOYYBUPCIQSF-JTQLQIEISA-N 413.692 5.007 0 1 HKAF CCN(c1ccc(-c2csc(-c3cccc(-n4cccc4)c3)n2)cc1)S(C)(=O)=O 587923548 WBNGGWPUDGDUMR-UHFFFAOYSA-N 423.563 5.054 0 1 HKAF COc1ccccc1Oc1c(Cl)cccc1-n1c(O)ccc1OCc1ccccc1 587941537 PUXCQEPTEBJDFQ-UHFFFAOYSA-N 421.880 6.216 0 1 HKAF CC1(C)CCC(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CC1 587963519 NXUGPDHGHJBGKI-UHFFFAOYSA-N 405.258 5.983 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnn(-c3ccc(Br)cc3)c2)N1 962961360 UOHICTOSTZRUQT-IIBYNOLFSA-N 421.342 5.130 0 1 HKAF CCCCCCOc1ccc(Oc2ccc(-c3noc([C@@H](C)NC(C)=O)n3)cc2)cc1 1772578891 FIDIFLKUPJDOGQ-QGZVFWFLSA-N 423.513 5.685 0 1 HKAF Nc1cccc([C@@H](Cc2cccnc2-c2cccc(C(F)(F)F)c2)c2cccnc2)n1 1772598277 BZBHRKOESFOMRG-FQEVSTJZSA-N 420.438 5.514 0 1 HKAF O=C1C[C@@H](c2ccc(C(=O)NCc3cccc(Cl)c3)cc2)Sc2ccccc2N1 1857651490 YESIWNGKFXFJCT-NRFANRHFSA-N 422.937 5.446 0 1 HKAF COCOc1ccc(C[C@H]2Cc3cccc(OCCC4CCCCC4)c3C2=O)cc1 1857748595 RNODLPJEADZGRF-QFIPXVFZSA-N 408.538 5.616 0 1 HKAF CCCC=CC[C@@H]1CC=CC=C(C)C=CC=C[C@H](O)CC=C(C)C=CC=CC(=O)N1 2356390221 UMYFIUGQWGBKLX-FTJBHMTQSA-N 407.598 6.046 0 1 HKAF CC1(C)C(=O)CC[C@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2C[C@H]2O[C@@H]3CC[C@@](C)(O3)[C@@H]3CC[C@]1(C)[C@H]23 2356422858 VUSLQOQDDBPUTM-AITBNKAISA-N 414.630 6.145 0 1 HKAF CC(C=CC=C(C)C[C@H]1OC(=O)C(C)=C1O)=CCCc1coc(Cc2ccoc2)c1 2356474521 VWLBUSPIDVXPRA-HSZRJFAPSA-N 408.494 5.992 0 1 HKAF CCC[C@@H](CC)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356588642 CPLVWRYIIKOCEQ-JHXIUNCFSA-N 414.718 8.169 0 1 HKAF CCC(=O)[C@@H]1[C@@H](CC)C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356751366 XFFDYWGJZFMHBB-NFYIANLXSA-N 400.603 6.112 0 1 HKAF CC[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 2356797308 NTXTZXKLSHAMPH-ZHEJYYDPSA-N 416.646 5.250 0 1 HKAF COc1ccc(-c2ccc3oc(-c4ccsc4)c(-c4ccc(OC)cc4)c3c2)cc1 12476766 HYXXTWHXXJLILE-UHFFFAOYSA-N 412.510 7.513 0 3 HKAF CO[P@@](=O)(C(=O)Nc1ccccc1)[C@@H](CC(C)C)NC(=O)OCc1ccccc1 200551081 XAXSUNCAIYFETB-ADXZGYQBSA-N 418.430 5.442 0 3 HKAF COc1ccc2c(c1)[C@@H](n1c(C)ccc1C)C(=O)N2Cc1ccc(C(F)(F)F)cc1 206028467 DXSHRVVLCINZSM-OAQYLSRUSA-N 414.427 5.269 0 3 HKAF CC[C@H](C)N(Cc1cn(CC)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 4913194 RSGSCYWAQINLIC-HNNXBMFYSA-N 418.368 6.801 0 1 HKAF CC(C)=CCc1cc([C@H]2CC(=O)c3c(cc(O)c(CC=C(C)C)c3O)O2)ccc1O 5854705 WNEAAJKGMLICIY-JOCHJYFZSA-N 408.494 5.527 0 1 HKAF biogenic O=C(NCc1ccccn1)c1cc(-c2ccc(Br)s2)nc2ccccc12 8617121 XXSYVSGSYHUVNE-UHFFFAOYSA-N 424.323 5.051 0 1 HKAF Cc1c(F)c(Oc2cccc(OC(C)C)c2)nc(Oc2cccc(C(=N)N)c2)c1F 13474024 HEHAHFSXWKGXJN-UHFFFAOYSA-N 413.424 5.324 0 1 HKAF COc1cc2c(Nc3cccc(-c4csc(C)n4)c3)ncnc2cc1OC(C)C 13490843 QIAIKHFMNJAIKZ-UHFFFAOYSA-N 406.511 5.601 0 1 HKAF CCCCc1cc(OCc2ccc(-c3ccccc3C(=O)O)cc2)c2ccccc2n1 13728632 KVRCLIOAYZNKMR-UHFFFAOYSA-N 411.501 6.522 0 1 HKAF CC1=C2C[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]43C)[C@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@@H]1[C@H]2C 14806479 QASFUMOKHFSJGL-UVRNWOGDSA-N 411.630 5.002 0 1 HKAF CC[C@@H]1C(=O)c2c([nH]c3ccc(Cl)cc3c2=O)C[C@H]1c1ccc(C(F)(F)F)cc1 27099434 GEAHHPAGJYGKOM-GJZGRUSLSA-N 419.830 5.749 0 1 HKAF C[C@H]1CCC[C@H](C)N1CCCCCN1C(=O)[C@@H](c2ccccc2)Oc2ccccc21 27407848 BWAAOARPNKBGHD-STWLZBDKSA-N 406.570 5.587 0 1 HKAF N[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 36324338 TZYWVNRQPJYYMS-SQNIBIBYSA-N 403.366 5.514 0 1 HKAF CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OC)cc1)n2CCC(C)C 40422933 STNBWYDUCPIMGW-UHFFFAOYSA-N 407.558 5.164 0 1 HKAF CC(C)CN(C)c1cc(CCc2cccc3ccccc23)nc(N(C)CC(C)C)n1 40952916 HDFUPFFBWIBIOT-UHFFFAOYSA-N 404.602 5.599 0 1 HKAF Cc1cc(N)ncc1-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1 45193557 PVSSNIUWSMFAQC-UHFFFAOYSA-N 404.367 5.441 0 1 HKAF CS(=O)(=O)c1ccc2nc(-c3ccc(-c4cc(Cl)ccc4F)cc3)[nH]c2c1 64526719 XTGIDEXZJSEWFK-UHFFFAOYSA-N 400.862 5.093 0 1 HKAF CC(=O)O[C@@H]1CC[C@H](OCCCc2c(-c3ccccc3)oc3ccccc23)O[C@H]1C 66112344 KDOZZBDAYFMQGL-VXWZWFMZSA-N 408.494 5.506 0 1 HKAF Cc1nc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccc(F)cc2)oc1C 82164053 MLTGIQBEKCBYSE-UHFFFAOYSA-N 406.436 5.348 0 1 HKAF O=C(NC1CCCCC1)[C@@H]1CCCN1c1nc(-c2cccc(C(F)(F)F)c2)cs1 82197838 AOZHPMSKIAHTRC-SFHVURJKSA-N 423.504 5.247 0 1 HKAF COc1ccc(NC(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)cc1OCCCC(C)C 95558857 SKIMIKMUZOGCKW-INIZCTEOSA-N 414.502 5.091 0 1 HKAF BrC1=CC[C@H]2C(=C1)[C@@H]1c3cc(Br)ccc3C[C@@H]2N2CCC[C@@H]12 101977617 IBQFOMGOINHVJA-QZHFEQFPSA-N 421.176 5.161 0 1 HKAF COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC(C)C)c(OC)c1 104071180 GCTNZYCTXAAXOY-NRFANRHFSA-N 413.514 5.100 0 1 HKAF CC(C)(O)c1ccccc1-c1ccc2[nH]c(CCc3ccc(C(F)(F)F)cc3)nc2c1 118403720 BRLXLXKMAJHYAM-UHFFFAOYSA-N 424.466 6.261 0 1 HKAF CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)Cc1cccc2ccccc12)C1CC1 139056758 LYXZOUZVKCOQFN-HSZRJFAPSA-N 420.578 5.091 0 1 HKAF CC1(C)/C=C/C[C@]2(C)Oc3ccccc3C[C@H]2CC[C@]2(C)Oc3ccccc3C[C@H]2C1 169525962 ISSPUSZYYOWQJE-PVUWTYBXSA-N 416.605 7.163 0 1 HKAF CC(C)c1ccc2c(c1)CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C 238757871 WAOBNVTUKRDXOF-ZINZIPJZSA-N 406.698 8.889 0 1 HKAF CC(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 261519528 JZCPTPIGOKTFQQ-ADYUQSCBSA-N 400.647 6.280 0 1 HKAF CC(=O)n1c2cccc(Br)c2c2cc(-c3ccc(Cl)cc3)nnc21 299824877 IFQBIWRMBCDNOA-UHFFFAOYSA-N 400.663 5.328 0 1 HKAF C[C@@H](CC[C@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@@]21C)CC(=O)OCCN1CCCC1 299838764 NVCOFRQWSVVFME-PETUGJSASA-N 419.650 5.203 0 1 HKAF O=[S@@](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(c1ccccc1)c1ccccc1 586960322 OOJASAONYCVBHO-LJAQVGFWSA-N 414.452 5.620 0 1 HKAF CCc1ccc2[nH]c(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nc2c1 586984554 SHWCGWNLLMZZSL-UHFFFAOYSA-N 420.310 5.807 0 1 HKAF FC(F)(F)C(F)(F)c1cc2[nH]c(-c3ccc(-c4nccs4)s3)nc2cn1 587023233 GCUNRTFNYCDERH-UHFFFAOYSA-N 402.373 5.464 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc3ncccc3c2[nH]1 587035713 YRRIPDWJBROMQI-GOSISDBHSA-N 400.507 5.597 0 1 HKAF O=S(=O)(c1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1)C(F)(F)F 587054262 NPESKSAVHDRASQ-DAXSKMNVSA-N 421.227 5.334 0 1 HKAF O=C(O)c1cc(F)cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 587055394 GWSRBUTUBSXHDH-UHFFFAOYSA-N 421.211 5.546 0 1 HKAF COc1cc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Cl 587072860 YLTFDLRNVDDXEG-RCHFCYBDSA-N 421.755 6.898 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(F)c(F)c4[nH]3)c(Cl)cc12 587078325 OBNKRDBOXRXPOB-JTQLQIEISA-N 418.827 5.693 0 1 HKAF COc1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c(C(F)(F)F)c1 587095625 NLRRLPFZZICXGB-UHFFFAOYSA-N 405.601 5.673 0 1 HKAF CCOc1cc(OCC)cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 587096257 BSYQBBFTVAOUNC-UHFFFAOYSA-N 409.485 6.219 0 1 HKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587114438 UIBRYKFDBPEUKF-VIFPVBQESA-N 422.756 6.480 0 1 HKAF Fc1ccc(-c2ccsc2-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)cc1 587164941 ZQRTXMASELTMIL-UHFFFAOYSA-N 412.795 6.650 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c(Br)ccnc3[nH]2)c1 587195595 JQGYWEFEWBFNFG-UHFFFAOYSA-N 417.307 5.067 0 1 HKAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 587198470 LVAPFCJMCKNMAO-UHFFFAOYSA-N 412.827 5.020 0 1 HKAF Cc1nc(-c2ccccn2)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208584 VGWXTPKUEXQPET-UHFFFAOYSA-N 405.482 5.940 0 1 HKAF C=CC(=O)Nc1ccc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)cc1 587244096 LUPXLZCKVGSZRM-UHFFFAOYSA-N 410.193 5.136 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4cccc(C(F)(F)F)c4)c1)[C@@H](C2)C3=O 587423612 UCXYWPOUMIHYHN-CVDCTZTESA-N 410.391 5.870 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC)([C@H]1CCCCN1C(=O)OC(C)(C)C)CC2=O 587474581 GEULSAWGEIIMOF-YKSBVNFPSA-N 417.546 5.248 0 1 HKAF CCCCCCOc1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OC 587486777 ZZMDRYZGFCUYHO-QHCPKHFHSA-N 412.526 6.019 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1csc3ccccc13)CC2=O 587493297 DMCYWBNBGXQGGU-HSZRJFAPSA-N 410.491 5.285 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1nc(-c3ccc4ccccc4c3)cs1)CC2=O 587497625 XLLRHHDTFSLJJA-HSZRJFAPSA-N 415.514 6.328 0 1 HKAF O=C1C[C@H](c2c(F)cc(Br)c(F)c2F)Oc2c1ccc1c2CCCC1 587504484 JCLZBRZCJSMDQX-OAHLLOKOSA-N 411.217 5.452 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587504597 XBJHCUSVEQGXOP-QHCPKHFHSA-N 420.940 5.787 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ccc2ccncc12 587549940 UAEWFQMIRZDXEE-NFBKMPQASA-N 403.821 5.297 0 1 HKAF Cn1c(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587552183 OCQYBWVHHCCYAO-SIKLNZKXSA-N 405.837 5.240 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(Cl)c(Cl)c1 587557826 OSCPKAPNLFEEJI-UZLBHIALSA-N 405.208 5.541 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(F)cc1 587572624 SVCJAMOQKWELTQ-JYFHCDHNSA-N 412.416 5.437 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1CCC(c2ccccc2)CC1 587605430 ZOXNSHGMKOCIQP-MFDUFHDRSA-N 400.474 5.696 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(C(=O)C(F)(F)Br)c2c1 587643167 ZGUKMTYWEOPVMC-LBPRGKRZSA-N 406.270 6.519 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2CCC(F)(F)F)N1 587709216 JMCFWQFJCQYLTH-VOJFVSQTSA-N 416.256 5.707 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2OC(F)(F)F)N1 587717068 FGFVYWAYSIBKIH-QGHHPUGFSA-N 418.228 5.285 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2Br)N1 587726317 IHNPXXDPWUHFGG-PWJLMRLQSA-N 417.091 5.113 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(Cc3ccccc3)C(C)(C)C2)N1 587762273 RXCWZVWXUDIJPB-NYHFZMIOSA-N 417.366 5.002 0 1 HKAF C[C@H](OC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1 587795578 QZNTWFQXIKMXFX-YPENRWOSSA-N 420.322 5.032 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2c[nH]c3ccccc23)N1 587802920 ONFNJIPEEBRFGX-LRTDBIEQSA-N 401.323 5.452 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)Cc2ccccc2-3)N1 587815264 LOMXBUNLAARHNU-BSEYFRJRSA-N 422.341 5.957 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccsc3)s2)N1 587844553 BTSGDATXHGWYRX-MGNBDDOMSA-N 408.361 6.002 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccco2)on1 587858521 ILKLBOZIBSYDFF-UHFFFAOYSA-N 418.236 5.192 0 1 HKAF ClC(Cl)(Cl)c1nc(Oc2ccc(Br)cc2)c2ccccc2n1 653864028 GXEBSVGLRQURKD-UHFFFAOYSA-N 418.505 6.011 0 1 HKAF COc1cc([C@]2(C)c3ccsc3CCN2Cc2cccn2C)ccc1OC(F)F 962373452 MFMRWEAYGAGQDE-JOCHJYFZSA-N 418.509 5.018 0 1 HKAF C[C@]1(c2ccc3ccccc3c2OC(F)F)NCCc2cc(-c3ccccc3)ccc21 962658406 COLPTPFAYXCRKW-MHZLTWQESA-N 415.483 6.517 0 1 HKAF Cc1cc([C@]2(C(F)(F)F)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)ccc1Cl 962773707 XLUBGLUPHPETRK-RDJZCZTQSA-N 421.768 5.100 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](Cc2ccccc2)(c2ccccc2C(=O)O)N1 962956474 YGCLVECMKXFVON-UZTOHYMASA-N 410.517 5.277 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CSc1ccccc1)c1ccc(F)cc1 963224599 DTLCCUFWYCKYSY-IBVKSMDESA-N 405.582 6.518 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@]34C=C[C@](C)(CC[C@H]32)C4)[C@]1(C)C(=O)O 2356457134 DSPCDQGQRCFIKH-ZSLIZDKLSA-N 400.559 5.528 0 1 HKAF CC[C@H](C)CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 2356635713 IBWBTXGHONHYOZ-AXPVXIQSSA-N 400.691 7.779 0 1 HKAF Cc1cc(C)n2c(Nc3ccc4c(c3)OCCO4)c(-c3cc4ccccc4o3)nc2n1 95566324 YSMDPACWBVTQNW-UHFFFAOYSA-N 412.449 5.274 0 3 HKAF CO[C@H](C1CCCCC1)[C@H](C)[C@@H](OCc1cccc(Br)c1)[C@H](C)CO 7992071 DMJFQFIGRLPWIE-RFZJPIJTSA-N 413.396 5.194 0 1 HKAF O=C(/C=C/c1ccccc1)Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1 13472559 WJDSWADDRNVNAI-JLHYYAGUSA-N 406.441 5.499 0 1 HKAF COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2CCCCCc1ccccc1 13652189 FZUMFPXNHOWEJA-LIONHTAISA-N 409.545 5.348 0 1 HKAF C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1Br)C(C)(C)CCC2(C)C 13738455 JRRBUWNHWCKPBW-UHFFFAOYSA-N 413.355 6.558 0 1 HKAF CCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC[C@H](C)O 13766115 KSNPOSBOLMASTE-ZBPDQRSVSA-N 417.678 7.045 0 1 HKAF C/C(=C\CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COC(=O)/C=C/C(=O)O)CO 14654638 UZHMDKVEUKIXIG-KCSPCAOWSA-N 404.547 5.289 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 27209726 GIQHGRUKLUVHHK-MNJDGCTCSA-N 415.581 5.201 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C 34264911 ZMXCDKMPGLKEQN-PMVZZKQKSA-N 414.718 8.025 0 1 HKAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)n1ccc2ccccc21 36188606 ZKJLGJLBCWOCRC-RZUUXBQRSA-N 416.565 5.195 0 1 HKAF CCCc1cc[n+](CCCCCCCCCCCC[n+]2ccc(CCC)cc2)cc1 45350370 VLDINVLDHGPYTF-UHFFFAOYSA-N 410.690 6.768 0 1 HKAF COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 49034547 WYODAUFUSJQAMS-UHFFFAOYSA-N 415.276 5.507 0 1 HKAF Cc1ccccc1[C@@](O)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F 49088125 IASGLGXDAWKFKO-NRFANRHFSA-N 400.375 5.271 0 1 HKAF COc1cccc(-n2cc(COC/C=C(\C)CC/C=C(\C)CCC=C(C)C)nn2)c1 66102257 IOIVNXANUBYNRC-XQOFNESLSA-N 409.574 6.212 0 1 HKAF Clc1ccc(C2=C(c3cc(-c4ccccc4)no3)[C@H]3CC[C@@H](C2)S3)cc1Cl 66111699 BLHHCJYOCBBQLB-YCRPNKLZSA-N 414.357 7.227 0 1 HKAF Cc1ccc(F)c(-c2cccc(C(=O)Cc3cnccc3[C@@H]3C[C@H](C)C[C@H](N)C3)n2)c1 96177699 DEWQUSWLWQLEFV-NSHGMRRFSA-N 417.528 5.247 0 1 HKAF COc1cc2c(c(OC)c1)[C@H](c1cccc(Cl)c1Cl)C1=C(O)CCCC1=N2 103627657 AOURFGXVGTVIKS-GOSISDBHSA-N 404.293 6.225 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2ccc(Cl)s2)C[C@H](c2cccs2)C1 103948707 DTXXVTJNMRQJTK-QKVFXAPYSA-N 412.967 7.092 0 1 HKAF COc1ccccc1-c1nc(NCc2ccc(-c3cccnc3)cc2)c2ccccc2n1 169302861 BCMNQBIJIUVNIW-UHFFFAOYSA-N 418.500 5.980 0 1 HKAF N=c1sc(=S)[nH]c2c1cc(-c1ccc(Br)cc1)n2-c1ccccc1 169313041 MCDXQGNYHOQGGL-UHFFFAOYSA-N 414.353 5.659 0 1 HKAF CC(C)[C@H]1CC[C@@](C)([C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)C4=CC[C@@]32C)[C@@H]1C 255218006 HMOMYVDTGCDYKX-PRCDUGMQSA-N 410.686 7.555 0 1 HKAF C[C@H](C(=O)OCCCc1ccccc1)c1ccc2c(c1)SC[C@@H]1CCCC[C@H]1C2=O 299810017 CTGIXAGBIQLQDR-YUXAGFNASA-N 422.590 6.061 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(Br)cc(F)c3[nH]2)c1 586879459 RLUCEPVDISFKIR-UHFFFAOYSA-N 423.285 5.979 0 1 HKAF CC(C)(C)c1cccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12 586959170 JCANXTKTEONYER-VWLOTQADSA-N 419.388 5.363 0 1 HKAF CC1(C)CC[C@@H]2O[C@@]2(C)[C@H]1/C=C/c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992068 SGGVFQCVMVVBEL-BOAKQWKTSA-N 411.501 5.759 0 1 HKAF COc1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1C 587000829 RTZNPEREBOHIFW-UHFFFAOYSA-N 423.314 5.317 0 1 HKAF Cc1cc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2cc1Br 587019923 ZYIUVFRRIITPAT-UHFFFAOYSA-N 423.336 5.028 0 1 HKAF FC(F)(F)Oc1cc(Br)cc2nc([C@@H]3Cc4ccccc4S3)[nH]c12 587042142 IJQCQKKZOXGUDL-ZDUSSCGKSA-N 415.234 5.614 0 1 HKAF O=C1c2ccccc2-c2cc([C@H]3CN(Cc4ccccc4)CCO3)nc3cccc1c23 587103789 AWBQWSOTTMRQPN-RUZDIDTESA-N 406.485 5.020 0 1 HKAF Cc1c(F)cc(-c2nc3cc(Br)c(Br)cc3[nH]2)cc1F 587132618 FWWMCWJTGSXNAX-UHFFFAOYSA-N 402.036 5.342 0 1 HKAF Cc1cccc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 587199333 BMVPRQRCAYDABR-KRWDZBQOSA-N 411.505 5.813 0 1 HKAF CC1(C)CCc2ccccc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351513 KBISYYYXSQENFV-SQHAQQRYSA-N 416.492 6.148 0 1 HKAF COc1cccc(-c2cc(-c3ncc(Cl)cc3Cl)nc3c2oc2ccccc23)c1 587356857 ALIANXRYNSABKJ-UHFFFAOYSA-N 421.283 7.025 0 1 HKAF COc1cccc(-c2cc(-c3c[nH]c4cc(Cl)ccc34)nc3c2oc2ccccc23)c1 587359244 FBDVDZLAMDJAHK-UHFFFAOYSA-N 424.887 7.458 0 1 HKAF C[C@@H]1CSc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587376907 YUOUZKFODQOOIY-DXHOUVOYSA-N 406.478 5.528 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC)([C@@H]1CCCCN1C(=O)OC(C)(C)C)CC2=O 587474580 GEULSAWGEIIMOF-RDPSFJRHSA-N 417.546 5.248 0 1 HKAF CCN(Cc1ccccc1)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587503786 ILABQJLPCCZCFO-MHZLTWQESA-N 411.545 6.298 0 1 HKAF O=C1C[C@@](c2ccc(F)cc2)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 587509600 SSTUPMXVPXJPHJ-RUZDIDTESA-N 406.884 6.267 0 1 HKAF CCC[C@@H](N1CCCC1)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514787 PIQCPTLDQIFOIZ-VPUSJEBWSA-N 403.566 5.691 0 1 HKAF O=C1C[C@](c2cccs2)([C@H]2O[C@@H]2c2ccccc2)Oc2c1ccc1c2CCCC1 587529955 BXOFAINBMBQWOQ-VJTSUQJLSA-N 402.515 5.628 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(OCC2CC2)c1 587555182 FRVFFCLFFFSIMI-URXFXBBRSA-N 406.409 5.023 0 1 HKAF Cc1cccc(OCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1C 587564842 ZBZDJDMASWGNSS-UHFFFAOYSA-N 417.347 5.946 0 1 HKAF CC(C)(C)c1ccc(CC[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587603149 MXAGMDYHLZZSPE-GMAHTHKFSA-N 402.490 5.653 0 1 HKAF C[C@]1(c2ccc(-c3cccs3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611286 HUMMSNMBGQQNNB-RCZVLFRGSA-N 414.482 5.998 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C(F)(F)Cl)N1 587707486 WCOPKAUAASXKJN-HWPZZCPQSA-N 404.657 5.198 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(C)(C)C)(c2ccc(F)cc2)N1 587732484 NKTGINCMQUFDGM-ZSEKCTLFSA-N 408.330 5.941 0 1 HKAF CC(C)[C@@]1(CC(=O)Nc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587741163 GDVKKISGUTXIRH-LHSJRXKWSA-N 419.338 5.003 0 1 HKAF CC(C)n1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 587753956 CDIMUDWWILLXGF-HXPMCKFVSA-N 402.311 5.142 0 1 HKAF COc1ccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(OC)c1C 587786804 GPMKKUNKWFULJT-UHFFFAOYSA-N 415.209 5.337 0 1 HKAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC(C)C 587790729 HXTUYJFLDCPMSF-ODXCJYRJSA-N 408.311 5.008 0 1 HKAF CC(C)CCOc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587794666 PIQIYXALLKUZTA-QRQCRPRQSA-N 420.366 5.811 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC3CCCC3)c2)N1 587809269 IKLZCMQUTDANME-YEJXKQKISA-N 404.323 5.533 0 1 HKAF CC[C@]1(C)C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2O1 587832322 JLTBBVIECRFBMS-PZVFOTJXSA-N 404.323 5.317 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccc(O)cc2)N1 587834541 SDWQBKSEMRUIFT-WHEQGISXSA-N 412.302 5.584 0 1 HKAF CCCc1cc(-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)ccn1 587923073 MFZRYTSBPBXIHQ-UHFFFAOYSA-N 413.521 7.112 0 1 HKAF Cc1csc(Cc2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)n1 587923377 NSRJXMANJIQALU-UHFFFAOYSA-N 405.523 6.453 0 1 HKAF Cc1ccc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)c(Cl)c1 653668345 JQHNJRAABZZPFN-HNNXBMFYSA-N 407.897 5.708 0 1 HKAF Cn1c(NCCc2ccc(-c3ccc(F)cc3)cc2)nc2cc(Cl)ccc2c1=O 1772571522 ZLDQEPMFWJQWSR-UHFFFAOYSA-N 407.876 5.048 0 1 HKAF COc1cccc2c1N(Cc1ccccc1)C[C@@H](C)N(C(=O)Nc1cccnc1)[C@H]2C 1772629859 SPPNGNHZLGXNMN-MOPGFXCFSA-N 416.525 5.094 0 1 HKAF O=c1c(Cl)c(-c2ccccc2)[nH]c2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn12 1857612716 ZPPUFLGAZNGABX-UHFFFAOYSA-N 424.209 5.682 0 1 HKAF COc1cccc(C(=O)Nc2ccc(Oc3ccc(O)cc3)c(C(F)(F)F)c2)c1 1857752211 DLKPQCXJWGGPQA-UHFFFAOYSA-N 403.356 5.464 0 1 HKAF CC(C)=CCCC(C)=CCC[C@@](C)(O)[C@H]1Cc2c(O)c(C=O)c(C)c(Cl)c2O1 2356332156 AKZMNMUPGWZYPW-AUSIDOKSSA-N 406.950 5.694 0 1 HKAF CC1(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]5[C@H]6CC[C@@]5(CC[C@@]43C)C(=O)O6)[C@]2(C)CC[C@H]1O 2356387698 DUENBZLSJKSMFL-OXEYXNBFSA-N 414.630 5.738 0 1 HKAF CCC1=C[C@](C=Cc2ccccc2)(CC)[C@](CC)(C(=O)O)[C@@H]2[C@H](CC)C(=O)[C@H](CC)[C@@H]12 2356417888 PONZNCXOVALNKD-HYSYENSQSA-N 422.609 6.795 0 1 HKAF CC(CC(=O)CC(C)C)=C1CC[C@@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC[C@]12C 2356423039 LVHAXINBKWVAEE-MWLIUISPSA-N 414.630 5.603 0 1 HKAF CCCCC=CCCCCCCCCCCCCCCCCCCCCCC(=O)O 2356423549 DRGWDEZYUAKKRZ-UHFFFAOYSA-N 422.738 10.010 0 1 HKAF CC(=CC=C[C@@H](C)C[C@@H]1OC(=O)C(C)=C1O)CCCc1coc(Cc2ccoc2)c1 2356510875 PTQLMVKRWRINAA-JPYJTQIMSA-N 410.510 6.072 0 1 HKAF CC(C)C(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356686403 DMESHFYQZLXLBT-YKYXYUPASA-N 400.647 6.856 0 1 HKAF CCCCNC(=O)[C@@]1(C)CCCCN1C(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C 61903014 YNUKSYDWCWHQQN-AREMUKBSSA-N 412.618 5.337 0 3 HKAF CC(C)=C[C@H]1Oc2cc(O)ccc2-c2oc3cc(O)c(/C=C/C(C)C)c(O)c3c(=O)c21 13379901 AXHZIEAQVMBUKO-WSSFADSRSA-N 420.461 5.646 0 1 HKAF endogenous,in-man Cc1c(COc2ccccc2F)oc2cccc(OCCCNCc3cccnc3)c12 13438497 YAVPHENICCAKQD-UHFFFAOYSA-N 420.484 5.413 0 1 HKAF O=C(O)CC1(Cc2nc3cc(F)ccc3n2Cc2ccc(Cl)cc2)CCCCC1 13826763 IMVYWMKEQXDBNK-UHFFFAOYSA-N 414.908 5.845 0 1 HKAF COc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@H](CC(C)(C)C)C[C@H]3C2=O)c1 18101940 QRWXHCBPNZPYER-LYLBAIIYSA-N 416.521 5.373 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(cc(C)c(O)c2C)O1 27626908 KNOLXXFWGWYXEX-WAZJVIJMSA-N 410.642 8.292 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=C[C@@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C)C(C)C 28569415 ZFRLPKWDPDXIMP-FHNZJSAISA-N 410.686 7.577 0 1 HKAF in-vivo Cc1oc(-c2cccc(Cl)c2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)O 28951962 KXYXNNFLDNTKIO-INIZCTEOSA-N 411.885 5.429 0 1 HKAF Oc1ccc2c(c1)CCc1ccc(cc1)Oc1cc(ccc1O)CCc1ccc-2cc1 29124263 VSXIMYQGZUVRSK-UHFFFAOYSA-N 408.497 6.441 0 1 HKAF in-vivo Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3Cl)nc1)CC2 29549508 LPJUSCDLIIKTBR-UHFFFAOYSA-N 415.280 5.479 0 1 HKAF C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](O)C(C)(C)O 33820652 NQYKUNLOUXZDEN-NRYKWOICSA-N 414.630 5.481 0 1 HKAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CN1C(=O)c2ccccc2C1=O 35270325 NYMGDAAKJAAJNW-SAAIGDAKSA-N 415.577 6.117 0 1 HKAF COc1ccc(C[C@H]2CN3C(=NC[C@H]3CC3CCCCC3)N2CC2CCCC2)cc1 40420665 LTOSYUMARDRUGJ-RPWUZVMVSA-N 409.618 5.123 0 1 HKAF O=C(NC1CCC1)C1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 45191881 NCJFLNSJUAGCKK-UHFFFAOYSA-N 417.380 5.464 0 1 HKAF FC(F)(F)c1cccc2c(Cl)c(-c3nnc(S)n3-c3ccccc3)cnc12 45314821 ZXBMELKSAJAWAW-UHFFFAOYSA-N 406.820 5.443 0 1 HKAF Cc1ccc(Sc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)cc1 71295018 CQQIMXBHEVAIBN-UHFFFAOYSA-N 404.643 7.728 0 1 HKAF COc1ccc([C@@H]2CC(=O)[C@H](c3ccccc3)[C@H](c3ccc(OC)cc3)N2C#N)cc1 72172311 NIWJUDBSUARHMP-RNXOBYDBSA-N 412.489 5.026 0 1 HKAF COc1ccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccccc3F)n2)cc1 82176158 YLPKXZQZEGBGEH-UHFFFAOYSA-N 418.472 5.218 0 1 HKAF COc1c(O)c2c(c(OC)c1OC)O[C@](C)(CC[C@]1(C)CCC=C(C)[C@H]1C)C=C2 86036745 HPDUVVVFJDKTNM-XRJVTAMDSA-N 402.531 5.745 0 1 HKAF S=c1oc(-c2ccc3ccccc3n2)nn1CNc1ccccc1Br 95594440 BFMNULYKDRLRLB-UHFFFAOYSA-N 413.300 5.253 0 1 HKAF OC1=C2C(=Nc3nc(SCc4ccccc4)nc(O)c3[C@H]2c2ccncc2)CCC1 100638144 ZBIBSAIMAGWEPG-SFHVURJKSA-N 416.506 5.084 0 1 HKAF CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccccc1OC 100704855 SKCCMSFUUIDDDG-MRXNPFEDSA-N 411.527 5.153 0 1 HKAF CC1(C)COP(=O)([C@@H](OC(=O)COc2ccccc2Cl)c2ccccc2)OC1 103215323 UEGUAKMEBVRFJK-LJQANCHMSA-N 424.817 5.227 0 1 HKAF C[S@](=O)/C=C/c1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1 103239553 WPXKQCIXDYJFEN-LQYYTUKUSA-N 422.550 5.462 0 1 HKAF CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(O)cc2)C2=C(O)CC(C)(C)CC2=N1 104705335 VIXZXWRAZXHBQX-QHCPKHFHSA-N 416.521 5.784 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-c2cscn2)c1 167122237 SNYGOLUGMKPMQV-LJQANCHMSA-N 408.523 5.081 0 1 HKAF COc1ccc2nc(COc3ccc(-c4c(-c5ccncc5)cnn4C)cc3)ccc2c1 169324883 PIPWLEHQKVJFAH-UHFFFAOYSA-N 422.488 5.285 0 1 HKAF CC[C@@H](c1ccccc1)[C@H]1C(=O)CC(Cc2ccccc2)(Cc2ccccc2)OC1=O 169715013 SVKAWNDHMZZVIH-AHWVRZQESA-N 412.529 5.537 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2cccc(Cl)c2)cc1)C3 195249413 FNNDPKKFONPQIL-NNUYSCJUSA-N 421.968 5.684 0 1 HKAF COc1cc(-c2noc3c2CCC[C@H]3Oc2ccc(F)cc2)ccc1-n1cnc(C)c1 205501350 SOHMFVZPAJCQAH-OAQYLSRUSA-N 419.456 5.440 0 1 HKAF COc1cccc(Cc2cccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)c2)c1 216053301 HKPLCQJMVFAYTF-UHFFFAOYSA-N 418.924 5.393 0 1 HKAF Cc1cc(-c2cccc(F)c2)cc(CNc2c(F)ccc(OCC(=O)O)c2F)c1C 218913703 DYKUFCPYNXUKOH-UHFFFAOYSA-N 415.411 5.463 0 1 HKAF CC[C@H](/C=C/[C@H](C)[C@H]1CC[C@@H]2C3=CC=C4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]21C)C(C)C 255255786 OQMZNAMGEHIHNN-PLWLLSLKSA-N 410.686 7.721 0 1 HKAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3)nc2c1 586878329 CWCJMGLMCRKRAX-UHFFFAOYSA-N 414.461 5.009 0 1 HKAF FC(F)(F)c1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 587018950 ROZMIKNNOVQKLU-UHFFFAOYSA-N 417.412 5.067 0 1 HKAF COc1cc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1C 587031031 KYIZQHHMPXCORC-LUMBYOQCSA-N 414.556 5.007 0 1 HKAF COC(=O)c1cc2[nH]c(-c3ccc(-c4cccc(OC)c4)cc3Cl)nc2cc1OC 587052321 NYYFJLWGGWFSDO-UHFFFAOYSA-N 422.868 5.354 0 1 HKAF O[C@@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccccc1Cl 587058324 FIWXBPGABGDCEN-CYBMUJFWSA-N 405.601 5.079 0 1 HKAF Cc1c(Br)ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 587076050 HTNSVOWBJKXJEP-UHFFFAOYSA-N 417.694 5.122 0 1 HKAF FC(F)(F)c1ccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2c1 587082900 WRFRMBHWPYIYPU-UHFFFAOYSA-N 423.825 7.117 0 1 HKAF CCC1CCC([C@H]2CCc3nc4c(C)ccc5c4c(c3C2)-c2ccccc2C5=O)CC1 587100406 JCLNGUNNRCIIBK-MHJFOBGBSA-N 409.573 7.076 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]3c1ccc(C(F)(F)F)cc1 587103242 JGWASNABMXKIFX-SFHVURJKSA-N 401.387 6.153 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc2c1 587158466 FVTUOIQBARAZSK-UHFFFAOYSA-N 421.273 5.779 0 1 HKAF C[C@]1(c2cnc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331904 QCJVKPJJHPGFNA-TZIWHRDSSA-N 418.251 5.507 0 1 HKAF Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(F)cc1Cl 587332464 LOUXNRPFTPOSMM-GMAHTHKFSA-N 414.835 5.907 0 1 HKAF Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(F)cc1Cl 587332465 LOUXNRPFTPOSMM-JTHBVZDNSA-N 414.835 5.907 0 1 HKAF COc1cc(C)c(C)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350240 KBGLOBQUVQENPD-ZCYQVOJMSA-N 406.453 5.431 0 1 HKAF COc1cccc(-c2cc(-c3cc4cc(C)c(C)cc4o3)nc3c2oc2ccccc23)c1 587367701 ZFUWZRVEUKLGDY-UHFFFAOYSA-N 419.480 7.687 0 1 HKAF C[C@@]1(CCSc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370386 VWZUECJXUMLHHL-VWNXMTODSA-N 408.494 5.831 0 1 HKAF COC(=O)c1ccc(-c2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587373295 CPBKCHYPXQBWOK-JOCHJYFZSA-N 421.880 5.391 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc3ccccc3cc21 587407938 LZSLPMVRYXZBIM-MHZLTWQESA-N 405.453 5.184 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccccc3)c(Cl)n1)CC2=O 587460140 GTCMGGJKYNAKGW-JOCHJYFZSA-N 423.896 5.679 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1cccc(C(F)(F)F)c1)CC2=O 587464704 WIPXDQJTNNFKJJ-VDZCTEQFSA-N 419.443 5.300 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccccc3C(=O)OC)cc1)CC2=O 587482470 TZIJNHWZMIOKTH-DEOSSOPVSA-N 416.473 5.505 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3nc(C(C)(C)C)cs3)cc1)CC2=O 587496295 VRGJVBMHCNBUFC-NRFANRHFSA-N 421.562 6.472 0 1 HKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1ccccc1)Oc1ccccc12 587536485 UNYXGEMTKNCBLN-SQHAQQRYSA-N 410.469 5.129 0 1 HKAF CC[C@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603210 NSXSPPRBWZZRKN-LEAFIULHSA-N 422.480 6.326 0 1 HKAF CCc1cccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587604171 UYQQEKJWMPVSIQ-LBNVMWSVSA-N 422.480 5.860 0 1 HKAF Cc1sc2ccccc2c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619646 UDRJKWWZFJSEMG-XUZZJYLKSA-N 402.471 5.792 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(C)(C)C)(c2ccc(Cl)cc2)N1 587698744 JDVZOGMYHCGFQF-ASSNKEHSSA-N 424.785 6.456 0 1 HKAF Cc1cc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587711984 YYJUFIZXIWJHED-BMLIUANNSA-N 420.219 5.376 0 1 HKAF COc1ccc(C(F)(F)F)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587712301 OHQSEIGQEDMIJU-VVVCHXIZSA-N 418.228 5.239 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F 587719873 RNMBIDTWIMVWII-DYZYQPBXSA-N 400.238 5.122 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCSc2ccc(F)cc2)N1 587732586 NDZOXONZFGKFGE-BLVKFPJESA-N 412.343 5.659 0 1 HKAF CCCc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC 587802437 RYSWJSXENRVFFV-ASSNKEHSSA-N 406.339 5.563 0 1 HKAF CC1=C[C@]2(C[C@@H](c3ccccc3)C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587816745 CKQODCKZFVAAHI-FXCLAUTBSA-N 400.335 5.842 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cc3ccccc3)s2)N1 587849582 UFORVCULLVHGNO-ZSEKCTLFSA-N 416.359 5.864 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C(=O)OC)ccc1C 587860226 OONTUSMWWIJRSO-UHFFFAOYSA-N 405.281 5.340 0 1 HKAF CCCCn1c(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)nc2ccccc21 587863292 XHRAHQJUJXMWKC-UHFFFAOYSA-N 414.431 5.717 0 1 HKAF Cc1ccoc1CNc1nc(Oc2cc(Cl)cc(Cl)c2)nc2ccc(F)cc12 653765594 HSAKQXYAGZRRNI-UHFFFAOYSA-N 418.255 6.382 0 1 HKAF CCOC(=O)CC[C@H](C(=O)CC)[C@@]1(CC)NCCc2cccc(-c3ccccc3)c21 962674294 WEJQSGXSSUXSBE-ATIYNZHBSA-N 407.554 5.043 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@]2(c1ccc(C2OCCO2)cc1)C1CCCCC1 963113612 UYJOIJPNKYBITK-SQHAQQRYSA-N 421.556 5.716 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@]2(c1cccc(Cl)c1Cl)C1CCCC1 963117281 YGBYSWCBLWXJMT-JPYJTQIMSA-N 404.356 6.587 0 1 HKAF COc1ccc([C@@H]2c3cccc(Br)c3CCN2C)c(C(F)(F)F)c1 963269404 IYEARKNYLRPACK-KRWDZBQOSA-N 400.238 5.054 0 1 HKAF Cc1c(CCC(=O)O)cccc1NC(=O)[C@H](C)c1ccc(-c2cncc(Cl)c2)cc1 1857592859 VNHSMTWXGHWKLW-MRXNPFEDSA-N 422.912 5.470 0 1 HKAF O=C(Nc1cncc(-c2cc(-c3cccnc3)cs2)c1)c1ccc(F)c(F)c1F 1857652396 SQVQHPRWSZBKGD-UHFFFAOYSA-N 411.408 5.542 0 1 HKAF COc1cc(-c2ccc(O)cc2)c(OC)c(OCCC(C)C)c1-c1ccc(O)cc1 1857754197 SNGLIZOCBLURGW-UHFFFAOYSA-N 408.494 5.874 0 1 HKAF O=C(O)C[C@H]1COc2cc(OCCCOc3cccc(-c4ccccc4)c3)ccc21 1857772437 NYHQSXAYPOAUNC-FQEVSTJZSA-N 404.462 5.152 0 1 HKAF CC(=O)Nc1ccc(-n2c(-c3ccc(Br)cc3)nc3ccccc32)cc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c1cccc(-c2nc3ccccc3c3c2[C@@]2(N4CCCC4)CCCC[C@@H]32)c1 1662085 FWVXULDERGEZOZ-NBGIEHNGSA-N 422.494 6.883 0 1 HKAF CC12C=CC(C(=O)O[C@@H]3CC[C@@H]4[C@@H]5CCC6=CC(=O)CC[C@@H]6[C@@H]5CC[C@@]34C)(CC1)CC2 11681501 REACBNMPQDINOF-WRMXEODJSA-N 422.609 6.177 0 1 HKAF biogenic COc1cc(O)cc(O)c1C(=O)[C@@H]1CC(CCC=C(C)C)=CC[C@@H]1c1ccccc1 13410531 LPKJICQWVHIRIV-FGZHOGPDSA-N 406.522 6.156 0 1 HKAF biogenic O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 13913050 CMKZLXVPTDYVOB-QHCPKHFHSA-N 424.466 5.377 0 1 HKAF Nc1noc2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12 14975343 QBINMYSOQKXQQY-UHFFFAOYSA-N 412.371 5.740 0 1 HKAF COc1ccc(CCCN2CCC(COCc3ccc(Cl)c(Cl)c3)CC2)cc1 26000700 WGFDCVFIATZRIQ-UHFFFAOYSA-N 422.396 5.863 0 1 HKAF CC1=CCC[C@@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)CC/C(C)=C/Cn1c[n+](C)c2ncnc(N)c21 40950130 YCSGSEAQYPDNAQ-FGTPADRVSA-N 422.641 5.363 0 1 HKAF Cc1ccc([C@@H](CCN(C)C)NC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cc1 45286985 SMTCWECJJJQGFZ-XMMPIXPASA-N 406.957 5.738 0 1 HKAF Cc1ccc(S[C@H](CC(=O)c2ccc(OCCN(C)C)cc2)c2ccccc2)cc1 72116432 HATWQJAAOKIDTC-AREMUKBSSA-N 419.590 6.042 0 1 HKAF C[C@H]1C[C@@H](Nc2cncc(Oc3ccc4oc5ccccc5c4c3)n2)CC(C)(C)C1 82068827 XRXULGLSMZBBJD-DLBZAZTESA-N 401.510 6.795 0 1 HKAF CCCCCn1c(C2CCCCC2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82185016 MREPVAZZASLJPN-UHFFFAOYSA-N 411.981 6.330 0 1 HKAF COc1ccc(C(=O)N(CC[C@H]2CCCN2C)C/C(C)=C/c2ccccc2)cc1C 84634091 CPZSKEGXALNXOX-BKWQBPKISA-N 406.570 5.034 0 1 HKAF Cn1cc(CNC(=O)CCc2c[nH]c3ccc(Cl)cc23)c2cc(Cl)ccc21 98082620 SMZVGXHKTQSOKV-UHFFFAOYSA-N 400.309 5.215 0 1 HKAF OC1=C2C(=Nc3nc(SCc4ccccc4)nc(O)c3[C@@H]2c2cccnc2)CCC1 100705025 NDGDOKRLKCKLJH-GOSISDBHSA-N 416.506 5.084 0 1 HKAF CCn1c2c(c3ccccc31)[C@H](c1ccccc1)C[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21 105505965 GIGCLYBFUBFOQU-SGIRGMQISA-N 420.512 5.470 0 1 HKAF C[C@@H](NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)C(C)(C)C 145482554 BCJWPWVRSGFHKX-VGSWGCGISA-N 422.594 6.526 0 1 HKAF C[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc(Br)cc1F 253994800 CIPDVFAPNIGCCR-MLCUKSTJSA-N 414.318 5.500 0 1 HKAF CC(C)[C@@H](C)/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)O4 255263682 RWSNQTGGDGPKOZ-SGLZBBBUSA-N 412.658 6.542 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4[C@@H](C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255271500 UIPYFONRKZTOIY-WJBKUVFZSA-N 400.691 7.779 0 1 HKAF CC(C)[C@@H](C)/C=C\[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3 255273874 VSGFTONSNLGNKU-YRGHNAHVSA-N 412.702 7.801 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 261156422 QASMLJURBZXYNW-UNMSDJSZSA-N 401.679 6.928 0 1 HKAF CN1[C@H]2CC[C@H]1[C@@H](c1cc(-c3ccc(Cl)cc3)no1)[C@@H](c1ccc(Cl)cc1)C2 261181971 WHFIJZLIDVACTG-QRICJDHISA-N 413.348 6.382 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)nc2c1 586915578 OEFMYDGQHNODTK-UHFFFAOYSA-N 423.266 5.402 0 1 HKAF Cc1cc(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)ccc1Br 586977620 SBFRMAMHSUNPOA-UHFFFAOYSA-N 403.629 5.897 0 1 HKAF CCOc1cc(/C=C/c2nc3cc(C)cc(F)c3[nH]2)cc(Br)c1OC 586978541 WNXXYOAOKQKJOB-AATRIKPKSA-N 405.267 5.351 0 1 HKAF CC[C@H]1c2cc(OC)ccc2Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990780 FCMNLRPKNQZTAD-INIZCTEOSA-N 407.469 5.607 0 1 HKAF Cc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1C 587017210 JHFXSRRMSVEHOO-UHFFFAOYSA-N 404.358 5.718 0 1 HKAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(OCc3ccccc3)cc2[nH]1 587065665 WSKWHROGTDIMGZ-UHFFFAOYSA-N 422.868 5.195 0 1 HKAF Cc1cc(Cl)ccc1OCCCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587067185 XNOWWUOQFMIHIF-UHFFFAOYSA-N 403.231 6.209 0 1 HKAF COc1cc(OC)c2[nH]c(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 587068929 BMMHBVCITGCFLV-DHZHZOJOSA-N 420.896 5.983 0 1 HKAF Cc1c(Br)cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1C 587229555 HXTLTBNSMQVLSV-UHFFFAOYSA-N 407.315 5.616 0 1 HKAF CC(C)(C)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354178 NJSIVHQEIILCKJ-OZXSUGGESA-N 404.481 6.222 0 1 HKAF COC(=O)CC[C@@H](C(C)=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587364187 YWVGOGBTDWPQFD-SFHVURJKSA-N 417.461 5.282 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](C)C[C@@H]3c2ccccc2)c1 587365679 ILTPUJREWHTPCF-FDDCHVKYSA-N 419.524 7.371 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1Oc1cccc(C(F)(F)F)c1)O2 587381201 HMEMHMLMQNQDGB-NRFANRHFSA-N 413.395 6.095 0 1 HKAF Cc1cccc(Oc2c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c3ccccc3n2C)c1 587392340 YWNGUFUMBQVQJQ-HSZRJFAPSA-N 412.489 5.876 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)c(Cl)c1Cl)[C@@H](C2)C3=O 587411700 GAMQCUKEQQHZMZ-BTDLBPIBSA-N 414.082 5.253 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H]1CCC[C@@H](C(=O)O)C1)CC2=O 587479973 DISRIJIYDGCGCJ-JTWNBILESA-N 408.494 5.096 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H]1CCCC[C@H]1C(=O)O)CC2=O 587491394 VAEPXAPHCKMHIZ-HUJREVKFSA-N 408.494 5.096 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN1CCCCC1 587515529 TWQHGPNGNKJRKG-VWLOTQADSA-N 405.538 5.266 0 1 HKAF CC[C@H](C)Oc1c(OC)cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595453 OCADQFVFRJAKTR-PUAZMWONSA-N 420.461 5.281 0 1 HKAF CC1(C)CCc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2O1 587616640 LLZTZEDVPTXXQL-ZJSXRUAMSA-N 402.446 5.199 0 1 HKAF O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3ccc(C(F)(F)F)cc3)[nH]c12 587637707 OIIASWLKNVMGCM-UHFFFAOYSA-N 401.262 5.297 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Cl)c2F)(C2CC2)N1 587725123 BLRYSMFNYKENEX-GIGQVBGESA-N 412.705 5.569 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(F)cc3F)o2)N1 587726720 YZZCOOUTDZCDDV-WVDJIFEKSA-N 422.244 5.750 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cccc(F)c2)N1 587727860 CDXSIQCPJDZSSC-FKIZINRSSA-N 403.270 5.142 0 1 HKAF CCc1ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2c1 587784597 SEGQRHLDVPSFGO-UHFFFAOYSA-N 418.540 6.962 0 1 HKAF COc1ccc([C@H]2C[C@@H]2[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587804269 AJRYTSFYKYVDKB-PLRCWCRUSA-N 404.323 5.150 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2c(C)cc(C)cc2s1 587866676 JAGIJHSKVIALRF-UHFFFAOYSA-N 417.456 6.183 0 1 HKAF Clc1ccc(C2=NN(c3ccc(-c4ccccc4)nn3)[C@@H](c3ccccc3)C2)cc1 653713240 KNLHUHNSQPUSBA-XMMPIXPASA-N 410.908 6.153 0 1 HKAF CCOc1cc([C@H]2NCCc3cc4cccc(OC)c4nc32)ccc1OCC=C(C)C 963059781 USBYMXGZKBYAPX-RUZDIDTESA-N 418.537 5.222 0 1 HKAF CCOC(=O)c1cccc([C@@]2(C(C)(C)C)NCCc3c(Cl)cc(Cl)cc32)c1 963127004 YQVMGBVCRCJJTK-JOCHJYFZSA-N 406.353 5.606 0 1 HKAF CC[C@@H](C)CC(=O)OCC[C@@H](C)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O 1857534500 MGQFEMTUZLJHRZ-WPCWPIEDSA-N 408.667 6.766 0 1 HKAF CC(C)(C)c1n[nH]c2c1[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1)C2=O 1857588401 HCPYEOGIEJRAEF-SFHVURJKSA-N 400.309 5.764 0 1 HKAF CCC/C=C/C(=O)Nc1cc2c(N3CCCc4ccccc43)ncnc2cc1OC 1857635233 JDCXOQKEPCGFLF-LFYBBSHMSA-N 402.498 5.018 0 1 HKAF O=C(O)C[C@H](NC(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1Cl 1857751105 ZLDIPXNHWVKTAY-ZDUSSCGKSA-N 407.080 5.246 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CCC2=C3CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356375755 GLMODYUVPPNCQV-IKADOYDESA-N 412.702 7.801 0 1 HKAF CC[C@H](C)C(=O)[C@]12C3=C(CC=C(C)C)C[C@H](CC=C(C)C)[C@@]1(C)CC[C@@H]2C(C)(C)O3 2356556962 UZFXHYXGPYVMSV-OUFOVPOWSA-N 412.658 7.800 0 1 HKAF CC(=CCC[C@H](C)C=C1OC(=O)C(C)=C1O)CCCc1cocc1Cc1ccoc1 2356588240 MJYPSIYCHMFNCW-SFHVURJKSA-N 410.510 6.421 0 1 HKAF CC(=O)OC[C@H](O)COC(=O)C[C@H](C)CC[C@]1(C)C2=CCCC(C)(C)[C@@H]2CC[C@H]1C 2356671431 ZDOKOBAWCCHHEY-FLIIADJISA-N 422.606 5.059 0 1 HKAF CCC1=C[C@](C=Cc2ccccc2)(CC)[C@](CC)(C(=O)O)[C@@H]2[C@H](C)C(=O)[C@@H](CC)[C@H]12 2356681147 IJBZGABOCOJLTC-NCYUGMOVSA-N 408.582 6.405 0 1 HKAF COC(=O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCCCCCc4ccccc4)[C@@H]4C=C[C@@H]1[C@@H]2[C@H]43 2356694972 OVQNZDVEWYMACH-XWVKAQNOSA-N 404.594 6.229 0 1 HKAF C[C@@H]1CC=C[C@](C)([C@@H]2C[C@H](Cc3cc(O)cc(CCCO)c3)CC3(CCCC3)C2)C1 2356729618 WAVVAHNLJRLTOM-XFHZLPGWSA-N 410.642 6.829 0 1 HKAF CSc1ccc(CN2CC[C@]2(C)C(=O)Nc2cccc(Oc3ccccc3)c2)cc1 61906861 VTPMQIPIVXFIJS-RUZDIDTESA-N 418.562 5.804 0 3 HKAF COc1ccc(C[C@@H](N)c2csc(NC(=O)Nc3ccc(C(C)C)cc3)n2)cc1 61907596 YQXKYDVAZXRPJD-LJQANCHMSA-N 410.543 5.162 0 3 HKAF CC(C)Oc1cccc(-n2c(CCc3c[nH]c4ccccc34)nc3ccccc3c2=O)c1 3645771 OYJPMZYYSNIOEL-UHFFFAOYSA-N 423.516 5.439 0 1 HKAF COc1cccc(C2(CNC(=O)Nc3c(C(C)C)cccc3C(C)C)CCCC2)c1 13736816 VVFZEGFJQUJNRQ-UHFFFAOYSA-N 408.586 6.576 0 1 HKAF Oc1ccc(CCN2CCC[C@H]2CO[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 27194671 KOKOBHAYDHKDFG-AZGAKELHSA-N 421.968 5.859 0 1 HKAF FC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 28822100 ZXDPSDQILHPHKU-UHFFFAOYSA-N 412.730 5.615 0 1 HKAF FC(F)(F)Oc1ccc(C2=NC[C@H](c3ccccc3C(F)(F)F)N2)cc1Cl 28948593 GISDKHJQVKNEHJ-CYBMUJFWSA-N 408.729 5.349 0 1 HKAF CCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CC[C@@H]2[C@@H]2CCC3=CC(=O)CCC3=C12 34799885 QPIUHLBKRNGNER-KGAACPIGSA-N 412.658 7.310 0 1 HKAF CCCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)C)C2 36381385 PMKDGZXQRNQBOV-UHFFFAOYSA-N 413.612 5.920 0 1 HKAF O=C1OC2(CCCCC2)C2=C1[C@@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 40413218 TXDTXIGWEMJKMF-IBGZPJMESA-N 409.869 5.140 0 1 HKAF CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccc(OC)cc1 40873898 WBTPSWAFEQSRPC-MQVPCNEGSA-N 415.537 6.315 0 1 HKAF CC[C@@H](C)[C@H](NCc1ccc(C)cc1)c1nc(-c2ccccc2)c(N2CCCCC2)o1 72181943 PGQOKPXTBCLMFQ-QPPBQGQZSA-N 417.597 6.517 0 1 HKAF CC(C)N(C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1)c1ccccc1 73165234 ASZADUKGYFMBNS-XMMPIXPASA-N 417.549 5.157 0 1 HKAF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccccc3)n2)C1 82132991 NSTOFVYHEMYNSS-RTBURBONSA-N 406.574 5.031 0 1 HKAF C[C@@H](Oc1c(N)ncc2c(C3=CCNCC3)coc12)c1c(Cl)ccc(F)c1Cl 96273091 TWIKWMMVTICGGP-SNVBAGLBSA-N 422.287 5.373 0 1 HKAF CCCCCC[n+]1cccc(-c2nc(-c3ccccc3)c3c(O)nc4ccccc4n23)c1 96911155 PKYSXKLEXKOTND-UHFFFAOYSA-O 423.540 5.790 0 1 HKAF COc1ccc(Nn2c(SCC(=O)c3cccc(Cl)c3)nc(C)c2C)cc1 103244276 IZOISCLCEJAWOV-UHFFFAOYSA-N 401.919 5.012 0 1 HKAF Cc1ccc(S(=O)(=O)c2cnc3c(F)cccc3c2-c2cccc(F)c2)cc1F 115917755 GXBOBAVLZCCUMA-UHFFFAOYSA-N 413.420 5.460 0 1 HKAF COC(=O)CCCCCC[C@H]1C(=O)CC[C@@H]1c1ccc([C@@H](O)C2CCCCC2)cc1 117787030 VOOPDGBFFAQNPE-PLXFJCCSSA-N 414.586 5.877 0 1 HKAF CC1CCC(NC(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1 139462438 CLNDYLPIDMVOSB-UHFFFAOYSA-N 402.498 5.321 0 1 HKAF CC[C@H](c1cccc(O)c1)[C@H]1C(=O)C[C@@](c2ccccc2)(C2CCCCC2)OC1=O 169715007 JXKOPEXDLNDGCC-KTIWRFAQSA-N 406.522 5.494 0 1 HKAF COc1ccc(/C=C2\C(=O)N(C)c3ccc(Cl)cc32)cc1O[C@H]1C[C@H]2CC[C@H]1C2 253632965 FFFLXXMNEHFKKE-ZSEHRPBUSA-N 409.913 5.433 0 1 HKAF CCCCOc1cc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c2cc1Br 586906765 QKMHGHMCVJHSKA-BOPFTXTBSA-N 413.271 5.173 0 1 HKAF CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(C(=O)O)cc2[nH]1 586981067 FGYUMEFZHCKJSR-UHFFFAOYSA-N 403.276 5.116 0 1 HKAF COc1cc(OC)c2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 587069622 LMHMGTHJISCOEU-XMHGGMMESA-N 418.924 6.407 0 1 HKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587069962 NCAOCLHVEUEKHH-SECBINFHSA-N 417.214 6.145 0 1 HKAF COc1cc(OC)c2[nH]c([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc2c1 587072266 PYMGVTKAZNTHRJ-RSZMZCDYSA-N 417.336 6.253 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc2c1 587086741 DHVROBZKMGKLJS-UHFFFAOYSA-N 403.713 6.402 0 1 HKAF CCOc1ccccc1[C@](N)(c1nc2cc(Cl)cc(Cl)c2[nH]1)C(F)(F)F 587091857 GXFFGLHWPSXUKM-INIZCTEOSA-N 404.219 5.033 0 1 HKAF Cc1nn(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(C)c1Br 587102103 QHMOVPPPHNJKBB-UHFFFAOYSA-N 418.294 5.070 0 1 HKAF Cn1nc(-c2ccccc2)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1Cl 587103044 AJFPKQBFDWQROQ-UHFFFAOYSA-N 421.887 6.167 0 1 HKAF O=C1c2ccccc2-c2cc(/C=C/c3ccc(Cl)c(Cl)c3)nc3cccc1c23 587103112 CJRREJLFVKEZTM-CSKARUKUSA-N 402.280 6.923 0 1 HKAF CCOc1cc(/C=C\c2nc3cc(Cl)c(Cl)nc3[nH]2)ccc1OC(F)F 587130074 JSSFNIITLBGWIA-XQRVVYSFSA-N 400.212 5.435 0 1 HKAF COc1cc(-c2nc3cc(Cl)c(F)cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144149 RSLTUCYRRKUGCR-UHFFFAOYSA-N 414.795 5.535 0 1 HKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3c(Br)ccc(Br)c3[nH]2)c1 587160816 HCIIVPRZXQDWKD-QWRGUYRKSA-N 410.084 5.498 0 1 HKAF CC1(C)CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587354492 QVUQSMTZQPNYFP-BVAGGSTKSA-N 402.465 5.857 0 1 HKAF COc1cccc(-c2cc(-c3ccc4cc(O)ccc4c3)nc3c2oc2ccccc23)c1 587365478 HORJNNOPXALTJX-UHFFFAOYSA-N 417.464 7.182 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1cc(Cl)c(Cl)cc1Cl)O2 587372647 ACHFNBFPXVUSTB-IBGZPJMESA-N 421.711 6.035 0 1 HKAF CCC[C@]1(c2ccc(Cl)c(Br)c2)CC(=O)c2cc(C)cc(N)c2O1 587378269 TXIVPPPFFDIENV-LJQANCHMSA-N 408.723 5.654 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(Nc3ccccc3Cl)nc1Cl)O2 587415373 ZKWTZGBCTYNTJD-HNNXBMFYSA-N 420.321 5.791 0 1 HKAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O 587428291 JKTCQRHVTLJHAD-CMJOBOIDSA-N 411.501 5.080 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccco1)(c1oc3ccccc3c1N)CC2=O 587473351 SJABCDZMCQJNDG-DEOSSOPVSA-N 403.434 5.175 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc4c(c3)OCO4)cc1)CC2=O 587491067 MYRYJRRERYZXNH-QHCPKHFHSA-N 402.446 5.447 0 1 HKAF O=C1C[C@H](c2ccc(OCCn3ccnc3)c(Cl)c2)Oc2c1ccc1c2CCCC1 587508514 RXYVASUYBJKGKW-HSZRJFAPSA-N 422.912 5.201 0 1 HKAF COC(=O)c1ccccc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587521839 CVYIAELKXHYZKE-HHHXNRCGSA-N 412.485 5.261 0 1 HKAF CC[C@@]1(c2c(Cl)cccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540543 AYXMHBMVXRSLRW-UGKGYDQZSA-N 415.272 5.966 0 1 HKAF C[C@]1(c2ccc(F)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545700 HECMFOQODGSQAI-WIYYLYMNSA-N 418.342 5.427 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3ccccc3Cl)c2)N1 587693064 CGRLIEPQWOPYNP-WYRIXSBYSA-N 420.713 5.051 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(Cl)c(Cl)c2)N1 587693352 NGBSLVUTQZDHLA-GYKQLYQFSA-N 423.540 6.172 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(F)(F)F)(c2ccc(F)cc2)N1 587711221 WQVNKGHASXRINN-DYZYQPBXSA-N 420.219 5.458 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(Cc3ccccc3)C(C)(C)C2)N1 587762272 RXCWZVWXUDIJPB-IVZQSRNASA-N 417.366 5.002 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccncc3)cc2)N1 587777763 JNCREGLBJNTXGF-FPTDNZKUSA-N 411.318 5.448 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccccc3)o2)N1 587825578 AYBSGULSYQNEET-YEJXKQKISA-N 416.290 5.384 0 1 HKAF Cc1nc(-c2ccccc2)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587856069 XUDHFRWVGHELET-JEOXALJRSA-N 417.347 5.644 0 1 HKAF COc1cccc(C(=O)c2ccc(-c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)cc2)c1 587933405 ZRBVOHPKOWUTBO-UHFFFAOYSA-N 414.358 5.627 0 1 HKAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 587938752 ZOKPTQPLLXKRAM-MHZLTWQESA-N 420.512 6.331 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](Cc2ccc(F)cc2)(c2cccc(F)c2)N1 962940006 CSCUZULRQWICLZ-QFQXNSOFSA-N 402.488 5.857 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)c1cc(Br)ccc1NC21CC1 962955112 RTKGKSHXILLRFA-FPTDNZKUSA-N 408.343 5.056 0 1 HKAF COc1cccc2cc3c(nc12)[C@@](Cc1ccccc1)([C@H]1CCOC(C)(C)C1)NCC3 963049867 BGGGKFWWBJDRTH-WXVAWEFUSA-N 416.565 5.032 0 1 HKAF CC(C)(C)c1ccc([C@]2(C3CCNCC3)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963117396 YQASKLDSRVHENY-IGKIAQTJSA-N 406.589 5.387 0 1 HKAF COc1ccccc1[C@]1(CCc2cccc(Cl)c2)NCCc2c(C(=O)O)cccc21 963129928 HAKDEFYKFUHRQQ-RUZDIDTESA-N 421.924 5.069 0 1 HKAF CCCOc1ccc([C@]2(c3ccc(C)nc3)c3ccccc3C[C@H](C)N2CCC)cc1 963226216 GXTBCINLYINJHU-DWACAAAGSA-N 414.593 6.127 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc2cc3c(c(O)c2c1O)C(=O)C[C@@](C)(O)C3 2356429015 GUJKRVVBNWGDJR-VWLOTQADSA-N 410.510 5.072 0 1 HKAF CO[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)CCCC(C)C)[C@@]2(C)CC[C@H](O)C=C12 2356588923 MJDZDJKAGVHWBM-AONIDECOSA-N 416.690 7.014 0 1 HKAF CC1=CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@H]1C 2356610878 ATTZDMRZTNQQNJ-WYCCSQJWSA-N 424.713 7.945 0 1 HKAF CC[C@H](C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356623023 QZEVHCZWWYKVHL-JHXIUNCFSA-N 412.702 7.801 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CC[C@@]1(C)C2=C(CC[C@H]1C)C(C)(C)CCC2 2356852301 QOYQXVXFFWDLHS-NIYFSFCBSA-N 423.649 5.942 0 1 HKAF Cc1ccc(OCc2nc3ccccc3n2[C@H](C)C(=O)Nc2c(C)cccc2C)cc1 95569863 PNIKEUWRTULQBL-HXUWFJFHSA-N 413.521 5.740 0 3 HKAF CC[C@@H](O)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(C(C)C)cc1 774635 MTXHLJONTGLMSF-QGZVFWFLSA-N 412.917 5.286 0 1 HKAF O=C(O)c1c(-c2cccc3ccccc23)sc(-c2cccc3ccccc23)c1C(=O)O 1619788 FMSPZIOVCNYNDO-UHFFFAOYSA-N 424.477 6.785 0 1 HKAF Cc1ccc(CN2CCSc3ccc(C(=O)Nc4ccc(F)cc4F)cc32)cc1 4908161 KKTKTEUAXYEVJS-UHFFFAOYSA-N 410.489 5.638 0 1 HKAF aggregator c1ccc2c(c1)N=C(c1cccc3ccccc13)C[C@H](c1ccc3c(c1)OCO3)S2 6576466 JTOZVFYVXSCPIW-AREMUKBSSA-N 409.510 6.926 0 1 HKAF Cc1cccc(CNC(=O)c2sc3ncnc(N(C)C4CCCCC4)c3c2C)c1 8607109 DYDFOPKAMACJNN-UHFFFAOYSA-N 408.571 5.007 0 1 HKAF O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ccnc3ccccc23)CC1 13528854 HWJSFABKQRDLLN-UHFFFAOYSA-N 424.504 5.381 0 1 HKAF CC1(C)c2cc(O)ccc2CC[C@@H]1N(C/C=C/c1ccccc1)C/C=C/c1ccccc1 13583935 YWXSTYXWHKOZCD-PVGWNORKSA-N 423.600 6.713 0 1 HKAF CC1=CC[C@@H]2[C@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]12Cc1c(c(C)c(C)oc1=O)O2 14860742 BYXZSSYEJYOJRF-SNIDIPQXSA-N 424.581 5.708 0 1 HKAF biogenic CC(C)=CC(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](OC(=O)C=C(C)C)[C@]2(C)[C@H]1C 15220547 NOVVHULHGNPRDB-AATVZCHVSA-N 414.542 5.625 0 1 HKAF CCCCOc1nc(C(Cl)(Cl)Cl)c(Cl)c(OCCCC)c1Cl 26020969 OSGGCPUYEUOHIA-UHFFFAOYSA-N 409.568 6.573 0 1 HKAF CC(C)=CCC[C@@H](C)C1=C(O)[C@](CCc2ccccc2)(C(=O)NC(C)(C)C)OC1=O 26837685 JHSYOWGHTHLLSW-IQGLISFBSA-N 413.558 5.024 0 1 HKAF Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@H]2[C@@H](C(=O)O)C1CC1 28563639 OOLVQJBWJFELGB-VWNXMTODSA-N 417.505 5.412 0 1 HKAF O=c1c2cc(F)c(-c3cccc4ncccc34)cc2n(C2CC2)c2snc(O)c12 28569503 NEFCURATNRXWIJ-UHFFFAOYSA-N 403.438 5.006 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4cccc(CNCc5ccccc5)c4)cc3)nc12 45229755 FVRLKOWLCKSGKH-UHFFFAOYSA-N 403.529 6.495 0 1 HKAF COc1ccc(-c2nc(C(c3ccccc3)c3ccccc3)sc2CC(=O)O)cc1 45388281 GPPYWAGMOJZIGF-UHFFFAOYSA-N 415.514 5.626 0 1 HKAF Nc1ncnc2c1sc1nc3c(c(-c4ccc(Cl)cc4)c12)CCCCCCC3 49125819 JGWFGPLJAWDQNW-UHFFFAOYSA-N 408.958 6.191 0 1 HKAF COc1ccc(C2=NN(CN3c4ccccc4Sc4ccccc43)C(=O)CC2)cc1 49807693 GINFKEGOYLCEOX-UHFFFAOYSA-N 415.518 5.282 0 1 HKAF Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccc3ncccc3c2)n1 53243779 ZCZZHHPHPPOHPP-UHFFFAOYSA-N 421.529 5.714 0 1 HKAF O=C(NCC1CCCCC1)c1cnc(NC2CCCCC2)nc1-c1ccccc1F 82150555 SZLGSBOCFIPSAQ-UHFFFAOYSA-N 410.537 5.337 0 1 HKAF CC[C@H](C)Cn1c(C2CCCCC2)nc2c(NCCCc3ccccc3)ncnc21 82179923 WIWRTGZJXPTFRG-IBGZPJMESA-N 405.590 5.965 0 1 HKAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NC3CCCC3)nc2-c2ccc(F)cc2)C1 82214935 DACUOGHOLBNXMW-DLBZAZTESA-N 410.537 5.288 0 1 HKAF Cc1ccc(Oc2c(C(=O)N3CCCC[C@@H]3c3cccnc3)c(C)nn2C)c(Cl)c1 95590874 HPHQFQWTWYYJPY-LJQANCHMSA-N 424.932 5.245 0 1 HKAF O=c1c(/C=C/[C@@H](O)c2ccc(Cl)cc2)coc2cccc(OCC3CCCCC3)c12 95596342 WZZIDCZORGVJEP-QGFLDLQWSA-N 424.924 6.152 0 1 HKAF COc1cc2c(cc1OC)[C@H](CCc1ccccc1)N(C(=O)c1cccc(F)c1)CC2 96907891 IGFVLHUKTHPTFW-QHCPKHFHSA-N 419.496 5.215 0 1 HKAF CO[C@]1(c2ccc(SC)cc2)C=CC(C2CCCCC2)(C2CCCCC2)OC1 103205175 BLOVOANZLUHAEW-XMMPIXPASA-N 400.628 6.736 0 1 HKAF Cc1ccccc1CSc1nc2n(n1)[C@@H](c1ccccc1F)C1=C(O)CCCC1=N2 103894110 OQVWCQQTTMTZDC-NRFANRHFSA-N 420.513 5.689 0 1 HKAF CSc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccn2)cc1 104694886 HEJUIMPFIDWCOC-OAQYLSRUSA-N 405.523 5.250 0 1 HKAF Cc1cccc(-c2[nH]c(CNc3ccccc3C(C)C)nc2-c2ccc3ncnn3c2)n1 113391169 GSOVXSPCAUCYIM-UHFFFAOYSA-N 423.524 5.225 0 1 HKAF O=C(CC1CC1)N[C@@H]1CC=C(c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)CC1 167081923 PLMHWEUBPQFDRP-HSZRJFAPSA-N 415.537 5.087 0 1 HKAF O=C(Nc1cccc(C(F)(F)F)c1)NC1CCN(C/C2=C\CCCCCC2)CC1 169363082 KSRDSJBCRMDPJU-IDUWFGFVSA-N 409.496 5.572 0 1 HKAF CC[C@@H](C)C(=O)O[C@H]1C=C2C(=O)O[C@@H](c3ccoc3)C[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12 238742761 ZFDAAVKPAWSDTE-DQZBFUEFSA-N 414.542 5.614 0 1 HKAF COc1cc(/C=C/C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/[C@H](O)[C@@H]2C(C)C)ccc1O 238744408 ZRZPYTZFTKLERY-LOZFMOOMSA-N 414.542 5.035 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 255259978 PUGBZUWUTZUUCP-NVDGTEKSSA-N 400.691 7.635 0 1 HKAF COC(=O)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccc(Cl)s2)s1 261174021 ULKBAZWILNDSNA-KDIYTJCESA-N 405.972 5.169 0 1 HKAF CCC[C@@H](NC(=O)c1nc(C)cs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 473103908 NCNPWLYEFJWJGR-QGZVFWFLSA-N 415.950 5.218 0 1 HKAF CCCCOc1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2cc1Br 587016186 HOMFMMQANYOIAK-OAHLLOKOSA-N 422.348 5.479 0 1 HKAF O=C(O)c1cc(Br)cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c12 587048911 CQVDUTBLGKUEMR-UHFFFAOYSA-N 416.662 5.135 0 1 HKAF Cc1cc(C)c2[nH]c3c(c2c1)Cc1c-3nc2c(C)ccc3c2c1-c1ccccc1C3=O 587098545 ZMFSCVVGCGWBEZ-UHFFFAOYSA-N 400.481 6.424 0 1 HKAF COC(=O)CCc1c(-c2cccs2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587103548 YMJMLVRBSWLCKY-UHFFFAOYSA-N 413.498 5.589 0 1 HKAF CC(C)COc1cc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2cc1Br 587111196 ATBFJXDPBVPSIF-UHFFFAOYSA-N 416.241 5.385 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4c(Br)ccnc4[nH]3)ccc2F)cc1 587139692 QKBOUSLZWYNAIP-UHFFFAOYSA-N 410.246 5.396 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cccc(Br)c3[nH]2)cc1F 587151703 SZBOPPFKAPGLMG-LJQANCHMSA-N 415.237 5.772 0 1 HKAF Brc1cc(Br)c2c(c1)-c1nc3cccc4c3c(c1CC2)CC4 587207099 BFSFAZAWLDTZGN-UHFFFAOYSA-N 415.128 5.624 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCCCCCCCCCCCC3 587207211 KAJQKXHSDWOYFL-UHFFFAOYSA-N 411.589 7.836 0 1 HKAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 587239995 DNNGNNDRFDROKV-UHFFFAOYSA-N 411.355 5.440 0 1 HKAF Cc1ccc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)oc2c1 587353274 MTGPJUAZFJHRLK-ZCYQVOJMSA-N 402.421 5.860 0 1 HKAF COc1ccc2occ([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2c1 587358016 VIBJLELFHVJIMI-ILBGXUMGSA-N 418.420 5.560 0 1 HKAF COc1cccc(-c2cc(-c3ccc(-n4cccn4)cc3)nc3c2oc2ccccc23)c1 587364652 ZFJUBFCFVXPNGW-UHFFFAOYSA-N 417.468 6.509 0 1 HKAF COc1cccc(-c2c(C)c([C@H]3CCOC(C)(C)C3)nc3c2oc2ccccc23)c1 587365441 HBKVXAQXYBINTN-SFHVURJKSA-N 401.506 6.638 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2SCCS[C@H]2C3)c1 587365816 HNNKRHGUYASELF-MBSDFSHPSA-N 405.544 6.102 0 1 HKAF C[C@]1(c2cccc3ccsc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587376918 YVBOKGZJUNNEBY-ZJSXRUAMSA-N 404.462 6.020 0 1 HKAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccccc1F 587384193 BQHRSVNGDOCAPD-HSZRJFAPSA-N 421.468 5.401 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CSCC(=O)c1ccccc1)(c1ccccc1)O2 587407671 BUNYHVGEEMWCEJ-RUZDIDTESA-N 417.530 5.054 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1ccc(Cl)cc1)CC2=O 587461958 LWJOLUGYVLLTQB-VWLOTQADSA-N 406.909 6.216 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(SC)cc3)cc1O)CC2=O 587490445 GLHXMMYKCGEOMG-DEOSSOPVSA-N 420.530 6.146 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cccs1)(c1oc3ccccc3c1N)CC2=O 587492170 BERVQFGNYCQEFU-XMMPIXPASA-N 419.502 5.644 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(=O)OC)cc3)s1)CC2=O 587492305 BVOGEJKWKZUNGN-FQEVSTJZSA-N 422.502 5.566 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1sccc1NC(=O)OC(C)(C)C)CC2=O 587494325 LANPAKMFWZPYGD-KRWDZBQOSA-N 403.500 5.460 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc(Nc3cccnc3)nc1C)CC2=O 587494331 LERSGKJLBYAOOW-JOCHJYFZSA-N 409.511 5.129 0 1 HKAF CC(C)(C)[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587495021 BEPYCTXJWVEWDV-HSZRJFAPSA-N 413.355 6.235 0 1 HKAF O=C1CC2(CCC(c3cccc(C(F)(F)F)c3)CC2)Oc2c1ccc1c2CCCC1 587502871 BSMMVQQHYBTOQB-UHFFFAOYSA-N 414.467 6.646 0 1 HKAF CC(C)[C@]1(c2ccc(Br)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587530513 FOGMAZGPEQNDEB-FQEVSTJZSA-N 405.357 5.906 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc(Cl)c1Cl 587541005 CTTWAJIVRHOAOP-OXQOHEQNSA-N 421.663 6.055 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cc(O)cc1Cl 587549278 ZFHIDBTZSGVDFS-PXNSSMCTSA-N 403.217 5.108 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1c2[nH]c2ccc(Cl)cc12 587552103 NMUDKBMFAGDXAR-RDPSFJRHSA-N 417.848 5.330 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ccco1 587567812 CGDBLIGHFPCZFA-QPPBQGQZSA-N 402.377 5.030 0 1 HKAF Cc1cc(Cl)cc2c(N3CCC(N(C)C)CC3)c(-c3c[nH]c4ccccc34)[nH]c12 587627101 NZDRPDRQYDBBDJ-UHFFFAOYSA-N 406.961 5.808 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(N3CCOCC3)c2c1 587639004 MJUGKUMVBNMUQZ-HNNXBMFYSA-N 413.359 5.948 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C)c(Cc3c(C)nc4c(Cl)cccc4c3Cl)c2c1 587642141 PGCZSBHRJZAGFR-CYBMUJFWSA-N 411.376 7.744 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C(F)(F)Cl)N1 587707489 WCOPKAUAASXKJN-QLJPJBMISA-N 404.657 5.198 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C1CCCC1 587754349 YFOGDEHMVYAVOD-XUSGNXJCSA-N 405.355 5.745 0 1 HKAF CCc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587757335 UVJOQWRLSICKMD-JLCFBVMHSA-N 413.334 5.565 0 1 HKAF Cc1cccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 587819778 NMIQKQXQCYXGNP-CMJOXMDJSA-N 410.330 6.187 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](c3ccccc3)c3ccccc32)N1 587819826 WTMYSZUMVZGBCL-JLCUDIMXSA-N 422.341 5.902 0 1 HKAF Cc1ccccc1-c1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587821206 TVWRPAONZUSKFM-CMJOXMDJSA-N 410.330 6.187 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nnc(-c2ccccc2)n1C 587860299 QKAOUEFPNGYFHD-UHFFFAOYSA-N 414.296 5.040 0 1 HKAF COc1cc2c(cc1OC)[C@](C[C@@H](C)CC(C)(C)C)(c1ccccn1)N(C)[C@@H](C)C2 962617851 CPBLDHHFDJGKGP-LZJCXSABSA-N 410.602 5.681 0 1 HKAF O=C(O)c1ccc(-n2nc(Oc3c(Cl)cccc3Cl)c3ccccc32)cn1 1772629918 ZQHUADNDUKCWSM-UHFFFAOYSA-N 400.221 5.218 0 1 HKAF O=C(O)/C=C/c1ccc(Nc2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1 1772650758 LLTGDAJTZYQHQP-KGVSQERTSA-N 403.459 5.821 0 1 HKAF Cc1cccc(C(=O)Nc2cccc(Nc3ncnc4c3Cc3ccccc3N4)c2)c1 1857631019 KTEBJYHVFWQASZ-UHFFFAOYSA-N 407.477 5.429 0 1 HKAF O=C(Nc1c(-c2cccs2)nc2ccc(Br)cn12)C1CCCCC1 1857753516 ZGCKDVLTMBIQTH-UHFFFAOYSA-N 404.333 5.344 0 1 HKAF CC(=CCN1[CH]N(C)c2c(N)ncnc21)CC[C@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@@H]21 2356322014 OHUBPGRYFJQQCJ-ZEZQGNGESA-N 422.641 5.960 0 1 HKAF CC(=CC[C@H](O)c1ccoc1)CCC=C(C)CCC[C@H](C)C=C1OC(=O)C(C)=C1O 2356344776 PQUZEETWPHPNIP-UGKGYDQZSA-N 414.542 6.455 0 1 HKAF CN[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC(C)=O)CC[C@@]45C[C@]35CC[C@]12C 2356491453 IXKWMHYTPDVHMP-LVPQHTMDSA-N 414.678 5.538 0 1 HKAF COc1cc2c(c(C)c1-c1ccoc1)C[C@@H]1[C@]2(C)C(=O)C[C@@H]2C(C)(C)[C@H](O)CC[C@]21C 2356555260 NQNPFZBDSDBVBI-QQRSEODBSA-N 422.565 5.470 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@](C)(CCC(C)=CC(=O)OC)[C@H]2CCC=C(C)[C@]12C 2356604786 GRAKDQZADDSMPS-MKLAZCRDSA-N 416.602 6.173 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H]4O[C@@]3(CC[C@@]21C)[C@]1(C)CC[C@@H](O)C[C@H]41 2356721204 XSBIAMRLXDVYMG-XPVRLNRQSA-N 412.658 6.542 0 1 HKAF CCOc1ccccc1-c1cc(C(=O)Nc2ccc(C(=O)O)cc2)c2ccccc2n1 3634519 ZJICYTDPVBFMTL-UHFFFAOYSA-N 412.445 5.251 0 3 HKAF O=C(O)/C=C/c1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1 1544644 KLSNMCSZCBTHHL-KGVSQERTSA-N 416.454 5.308 0 1 HKAF CC(C)(C)c1noc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccc1F 2485769 CGIZUUDRWXZRBK-UHFFFAOYSA-N 404.844 5.501 0 1 HKAF COc1cc(C[C@H]2C(C)(C)CC(C)=CC23CC3)c(OC(C)=O)cc1Br 3833834 PMLKFXMDGNDNEI-IBGZPJMESA-N 407.348 5.698 0 1 HKAF COc1cc(OC)c2c(c1)[C@@H](CCCCCCCCCCCC[C@@H](C)O)OC2=O 9083878 URHQQJQMONPELH-WIYYLYMNSA-N 406.563 5.977 0 1 HKAF biogenic CC(C)CCNC(=O)c1ccccc1-c1ccccc1CNC(=O)Oc1ccccc1 13493166 ZCNFMJAZABWJHQ-UHFFFAOYSA-N 416.521 5.418 0 1 HKAF CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccccc1)[C@@H](c1ccc(Cl)c(Cl)c1)C2 13523247 IYCQCLWRGXVAAB-KKXYHZGYSA-N 418.364 5.346 0 1 HKAF COc1ccc(C2(CNC(=O)Nc3c(C(C)C)cccc3C(C)C)CCCC2)cc1 13736818 HBJTXYVIBJSOCA-UHFFFAOYSA-N 408.586 6.576 0 1 HKAF CCCCCNC(=O)Nc1ccccc1OCCCn1cnc(-c2ccccc2)c1C 13827639 XBZWKYMYNJFNQK-UHFFFAOYSA-N 420.557 5.639 0 1 HKAF CC(C)c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 13834332 WVUPZIZUIDNXGW-UHFFFAOYSA-N 423.578 5.826 0 1 HKAF COc1ccc2c(c1)c([C@@H](C)CC(=O)O)c(C)n2Cc1ccc(Br)cc1 13910113 ZGLPWVFYTARBPC-ZDUSSCGKSA-N 416.315 5.347 0 1 HKAF COc1ccc2c(c1)c(C[C@H](C)C(=O)O)c(C)n2Cc1ccc(Br)cc1 27762969 SCJHJBLKPMFQNG-ZDUSSCGKSA-N 416.315 5.032 0 1 HKAF COc1ccc2cc([C@@H](C)c3nnc4sc(Nc5ccccc5)nn34)ccc2c1 28823134 PURIBCMSNOVLMX-CQSZACIVSA-N 401.495 5.243 0 1 HKAF O=C(Nc1cccc2cnccc12)N[C@H]1CCc2cc(F)ccc2[C@H]1Cc1ccoc1 28959302 MVMZTCPJMDJVMN-VWNXMTODSA-N 415.468 5.430 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C)C[C@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 36189505 DHZJVHCWDITFSE-UVKIQIBRSA-N 401.679 6.832 0 1 HKAF CCNC(=O)c1cccc(Oc2cccc(-c3c(C)cnc4c(Cl)cccc34)c2)c1 40391294 DFAPREYFHSKSRA-UHFFFAOYSA-N 416.908 6.406 0 1 HKAF CCN(CCCN1CCCCC1)c1cc(C)nc(Nc2cccc3c2CCCC3)n1 45191300 LWQRPOVDBABSTK-UHFFFAOYSA-N 407.606 5.110 0 1 HKAF CCOC(=O)c1cnc2c(OC)cc(OC)c(Cl)c2c1Nc1cccc(C)c1C 45334957 MTFIQQSKAZTBFA-UHFFFAOYSA-N 414.889 5.443 0 1 HKAF CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cccc(Cl)c1Cl 66103038 CQCWBMHCMIEWCL-MRXNPFEDSA-N 412.114 5.454 0 1 HKAF CCN(CC)C(=O)[C@@H]1Sc2ccccc2-c2c1c1cccc(OC)c1n2CCF 68208464 CSWQEZJPOVECNM-JOCHJYFZSA-N 412.530 5.302 0 1 HKAF CCCN1CCc2c([nH]c3ccc(CC)cc23)[C@@H]1c1cccc(OCc2ccccc2)c1 71281981 KRTXTGGEDMWKAK-LJAQVGFWSA-N 424.588 6.667 0 1 HKAF CN(C)c1cccc([C@H](O)c2nnc(Nc3ccc(Oc4ccccc4)cc3)s2)c1 82078467 UYDVKFICHCBKFS-NRFANRHFSA-N 418.522 5.222 0 1 HKAF CCCCCn1c(-c2cccs2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188452 OVWSAHOCOSHZKQ-KRWDZBQOSA-N 405.571 5.961 0 1 HKAF Cc1cccc(-c2nc(NC3CCCCC3)ncc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 82216756 UQJOBCMBBDYSFT-KDURUIRLSA-N 406.574 5.315 0 1 HKAF CCCCCc1cc(OC)c2c(c1)OC(C)(C)[C@@H]1C[C@H](N3CCOCC3)C(C)=C[C@@H]21 87722533 LUXBRPHHQQEULZ-VSKRKVRLSA-N 413.602 5.350 0 1 HKAF CN1[C@@H]2CC[C@@H]1CC(CCOC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 100937944 CQSAXCBVCGNIIQ-FGZHOGPDSA-N 404.381 6.362 0 1 HKAF O=C(O)/C=C/[C@H]1[C@@H]2C=C[C@H]3[C@H]4[C@@H](C[C@H]31)[C@H](CCCCCc1ccc3c(c1)OCO3)[C@@H]42 101440789 JEVKBOABRNPNLG-VLZOBNMESA-N 406.522 5.089 0 1 HKAF CCOC(=O)[C@@](C)(Cc1ccccc1)c1ccnc2c(-c3ccc(Cl)cc3)ncn12 115656408 JKXBJTITQZWKLT-DEOSSOPVSA-N 419.912 5.113 0 1 HKAF O[C@H]1CC[C@H](c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CC1 169138921 HYXSQWHZJSHRQC-MAEOIBBWSA-N 417.534 6.246 0 1 HKAF Cc1cc(-c2sc(Cc3cc(F)cc(C(F)(F)F)c3)nc2C)ccc1C(N)=O 198920479 VPAANHFSDVELKX-UHFFFAOYSA-N 408.420 5.275 0 1 HKAF O[C@H](CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc2ccccc2c1 200625090 GBCZMMJQSKAXEH-HSZRJFAPSA-N 414.471 5.104 0 1 HKAF O=C(O)C[C@@H](CC(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 217071597 CXDHLMPYQMURSA-LJQANCHMSA-N 423.896 5.506 0 1 HKAF CSc1cccc(N=c2[nH]c(-c3cccc(I)c3)cs2)c1 473086166 HCURPSZIALUOIW-UHFFFAOYSA-N 424.332 5.302 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(Cl)nc(Cl)cc4[nH]3)cc2)CC1 586880706 PPULPSXMILLMPK-SHTZXODSSA-N 402.369 7.396 0 1 HKAF CC(C)Oc1cc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2cc1Br 586898653 RJUAEIKATVPUDV-UHFFFAOYSA-N 401.304 5.364 0 1 HKAF O=Cc1ccc(OCc2occc2-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 586900909 OEBQSERYIJQJQK-UHFFFAOYSA-N 418.396 5.826 0 1 HKAF Cc1c(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)oc2c1[C@@H](O)CCC2 586905546 TWUDIGZUUBSSJW-JTQLQIEISA-N 415.209 5.282 0 1 HKAF O=C1c2ccccc2-c2c(Cc3cccc(F)c3C(F)(F)F)cnc3ccc(O)c1c23 586986851 PMSUDPDYTFLLNS-UHFFFAOYSA-N 423.365 5.901 0 1 HKAF CCc1c([C@H](C)NC(=O)OC(C)(C)C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586996047 MDSIHQRAVBDWRX-HNNXBMFYSA-N 416.521 5.903 0 1 HKAF COc1cc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2cc1C 586999111 VVAMDVXSELZBSB-NTMALXAHSA-N 409.283 6.073 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Cl)ncc(Cl)c4[nH]3)c21 587030995 NDJXGFDURMZBPT-SNVBAGLBSA-N 403.338 6.224 0 1 HKAF COc1cccc(-c2ccc(-c3nc4cc(Br)cnc4[nH]3)c(Cl)c2)c1 587052586 WXGXNEDQAKRNFW-UHFFFAOYSA-N 414.690 5.716 0 1 HKAF Cc1cc(Cl)ccc1OCCCc1nc2cc(Cl)cc(Br)c2[nH]1 587066298 KPMMYFKWGVKRGV-UHFFFAOYSA-N 414.130 5.952 0 1 HKAF Cc1cc(F)c2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)nc2c1 587071204 KPTYLGHSTIODAV-MRXNPFEDSA-N 403.885 5.472 0 1 HKAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cc(SC(F)(F)F)ccc2[nH]1 587076110 JAOXWHXYZHOFAF-UHFFFAOYSA-N 421.831 6.263 0 1 HKAF O=C(CCCc1nc2ccc(OCc3ccccc3)cc2[nH]1)c1ccc(Cl)cn1 587081005 JIAFMEPPDMGXEU-UHFFFAOYSA-N 405.885 5.396 0 1 HKAF CCN(CC)Cc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1OC 587102982 CBIACADSGQRAEM-UHFFFAOYSA-N 422.528 5.964 0 1 HKAF Cc1ccc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c(F)c1 587146270 GSCIKFYCGMQNEA-UHFFFAOYSA-N 415.877 5.132 0 1 HKAF O=C(Nc1cccc(-c2nc3ccc(Br)cc3[nH]2)c1)c1ccc(F)cc1 587163813 UIFNEOHYUPNZEV-UHFFFAOYSA-N 410.246 5.384 0 1 HKAF C[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328199 UBSZVRRNWBRAKN-RBBKRZOGSA-N 417.263 6.112 0 1 HKAF CCOC(=O)c1ccccc1-c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587361795 AZIOHCLSGKNERQ-UHFFFAOYSA-N 423.468 6.500 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1C(C)C)CC2=O 587458337 RXNJMLQVYMYPOG-FQEVSTJZSA-N 403.316 5.937 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cccc(C(F)(F)F)c3s1)CC2=O 587464492 RJSACGUAMALWNZ-QGZVFWFLSA-N 406.425 6.285 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc3ccccc3n1)CC2=O 587488884 KSZXYIBDVBFFDO-MHZLTWQESA-N 409.485 5.802 0 1 HKAF C[C@@]1(c2ncc(Br)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587497783 MMTJXDORFLHVCF-IBGZPJMESA-N 406.707 5.257 0 1 HKAF CC(C)(C)OC(=O)N1Cc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2C1 587519008 STQCWTBPAYBADQ-HSZRJFAPSA-N 419.521 5.523 0 1 HKAF CCOC(=O)[C@H](C(C)C)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587525712 RKFAOFIZEYRLRQ-JYFHCDHNSA-N 406.522 5.261 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cc(Cl)c(Cl)cc12 587552080 NFYYJMKHYMBRFM-UGKGYDQZSA-N 413.256 5.502 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccc(Cl)cc2)on1 587552172 OAWVVSMWCYFCGQ-REWPJTCUSA-N 419.820 5.404 0 1 HKAF CCCCn1nc(C)c(Cl)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587694294 GSGKCZHZQOVFQZ-QGHHPUGFSA-N 414.750 5.170 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3ccc(Cl)cc3)c2)N1 587701451 UMKOVUKDTCTAQP-WYRIXSBYSA-N 420.713 5.051 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccc(Cl)cc3)on2)N1 587702298 WGUBICUXOSGJDG-OVWNDWIMSA-N 421.697 5.520 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2c(F)cccc2Cl)N1 587722156 RIJYDGXUGNAZLC-UOAFAEJXSA-N 412.705 5.844 0 1 HKAF Cc1nn(-c2ccccc2)c(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587753160 ABPRQQDCAATDPL-LAJNKCICSA-N 414.322 5.014 0 1 HKAF CCOc1nc2ccccc2cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587776161 BIPJPVJJBKNEQH-ODXCJYRJSA-N 415.306 5.159 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CC[C@H]2Cc2ccccc2C1 587832671 ZRFHFPHENJQJJW-BVGQSLNGSA-N 400.335 5.143 0 1 HKAF COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1SC 587843540 ISJAYLVBAFXELU-WLRWDXFRSA-N 410.352 5.116 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc3ccccc3c2Cl)N1 587852377 GAENLTOTNUQJNK-XYZCENFISA-N 410.739 6.080 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc2[nH]ccc12 587860407 VFWUNPCROBTBGV-UHFFFAOYSA-N 400.265 5.425 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(Cl)ccc1Cl 587860960 HCUOFUYSMBHPIV-UHFFFAOYSA-N 415.198 5.573 0 1 HKAF Cc1ccc(OCc2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)o2)c(C)c1 587874723 JBEZYRZQBCAVCN-UHFFFAOYSA-N 404.397 5.272 0 1 HKAF COc1ccc2cc([C@@H](C)c3nc4cc(Br)cc(Cl)c4[nH]3)ccc2c1 587934989 KHIUTFMCTNMXOD-LLVKDONJSA-N 415.718 6.292 0 1 HKAF COc1ccc2c(c1OC)[C@@](CCc1ccccc1)(Cc1ccccc1)N(C)[C@H](C)C2 962559134 BLMGQOQFTXOMAX-LYZGTLIUSA-N 415.577 5.651 0 1 HKAF COc1ccccc1[C@@]1(C2CCCCC2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962636704 SVOWABXOBNTNMQ-DWXRJYCRSA-N 409.570 5.413 0 1 HKAF Cc1cc(Br)cc(F)c1[C@H]1c2ccsc2CCN1Cc1ccco1 962716187 UBHPSQRJKDAVEU-LJQANCHMSA-N 406.320 5.699 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@H]2c1cc(F)ccc1Oc1ccc(F)cc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c2ncnc(N)c21)CC[C@]1(C)[C@H](C)CC[C@]2(C)[C@@H](C)C=CC[C@@H]21 2356814291 BZPUVAUDVNJIJI-WECLNZLDSA-N 423.649 5.654 0 1 HKAF O[C@](c1ccccc1)(c1nc(-c2cccc(C(F)(F)F)c2)cs1)C(F)(F)F 61907672 RNURDSFRXIOPHF-MRXNPFEDSA-N 403.347 5.627 0 3 HKAF Cn1c(-c2cccc(F)c2)cc2cnc(Nc3ccc(OC(F)(F)F)cc3)cc21 205208597 OFPBKHKEKRHBOP-UHFFFAOYSA-N 401.363 6.022 0 3 HKAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCc2ccccc2F)cc1 775955 AIIPSEZWTFYFIT-UHFFFAOYSA-N 410.489 5.149 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)Nc1c(C)cc(C)cc1C 3918716 HBUMSGODHRIYSA-GUTOPQIJSA-N 419.653 8.472 0 1 HKAF COc1ccc2[nH]cc(CCNc3ncnc4ccc(-c5ccccc5OC)cc34)c2c1 4265185 XKMBRKPKEYXMDT-UHFFFAOYSA-N 424.504 5.450 0 1 HKAF aggregator C[C@]12CC[C@]3(C1)[C@H](CC2=O)C[C@@H](OC(=O)c1ccccc1)[C@@H]1[C@]3(C)CCC[C@@]1(C)CO 6482893 CFPMRJFTBKYCRR-FOOPCEIZSA-N 424.581 5.186 0 1 HKAF Cc1cccc(-c2ccc(NC(=O)C3CCN(Cc4cccc(O)c4)CC3)cc2)c1 11874967 GSFXOFIVWMXRTM-UHFFFAOYSA-N 400.522 5.218 0 1 HKAF O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccccc3)n(Cc3ccccc3)c2c1 13609928 HPUSEFKSQFHCPA-UHFFFAOYSA-N 409.529 7.103 0 1 HKAF CC(C)=CCc1c(O)ccc2c1O[C@@H](c1cc3c(cc1O)OC(C)(C)C=C3)CC2=O 15205988 RDDQFBMFMJPBSC-HSZRJFAPSA-N 406.478 5.497 0 1 HKAF biogenic COc1cc2c(cc1OC)[C@@H](CC(c1ccccc1)c1ccccc1)N(C(C)=O)CC2 28392981 MYRDIKPCKNULKX-RUZDIDTESA-N 415.533 5.372 0 1 HKAF CN1c2ccc(Cl)cc2[C@H]2OCC[C@H]2[C@H]1c1c[nH]c2ccc(Br)cc12 28759844 PVHFNWVEMLFPOC-MRFFXTKBSA-N 417.734 5.853 0 1 HKAF C[C@@H](c1csc2ccccc12)N(CCCN)C(=O)CCCc1c[nH]c2ccccc12 28825808 NGPSXTZXSLHUJZ-SFHVURJKSA-N 419.594 5.644 0 1 HKAF CC[C@]1(C[C@](O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)CCCc2ccccc21 28826142 YTXMUOSDKIUWKU-DHIUTWEWSA-N 401.472 6.078 0 1 HKAF CCCCn1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3Cl)ccc21 33817949 JQPWHLNLPBVDKY-UHFFFAOYSA-N 404.293 5.397 0 1 HKAF C[C@]12CCC=C[C@@H]1[C@H](c1ccc(Br)cc1F)N(Cc1ccccc1)C2=O 36388143 VLYJICXLKPVNJX-CBQOVEMMSA-N 414.318 5.644 0 1 HKAF O=C1OCC(c2cc(Cl)ccc2OCc2ccccc2)=C1c1cccc(C(=O)O)c1 38309139 PDNMYVBWSATOME-UHFFFAOYSA-N 420.848 5.085 0 1 HKAF O=C(O)c1ccc(-c2cc(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)on2)cc1 40918305 IEAOMQYXMYGSFQ-UHFFFAOYSA-N 415.489 5.880 0 1 HKAF Clc1cccc(Cl)c1Nc1nc(C(Cl)(Cl)Cl)nc2ccccc12 43075183 NFXXWBKGUJTBIJ-UHFFFAOYSA-N 407.515 6.507 0 1 HKAF O=C(Nc1ccc(O[C@H]2CCN(Cc3ccc(F)cc3)C2)c(Cl)c1)c1ccccc1 45166899 LPALHHKDBQZLJJ-NRFANRHFSA-N 424.903 5.385 0 1 HKAF CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(-c2ccccc2C)nc2ccc(OC)cc12 45193633 OJCPARDRPQNHLD-OVWYZSLCSA-N 416.565 5.373 0 1 HKAF CCc1cc(C(F)(F)F)c2nc(C3(c4ccccc4)CC3)c(O)c(C(=O)O)c2c1 58568551 OKGIRFQYPOUVPO-UHFFFAOYSA-N 401.384 5.300 0 1 HKAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1nc2ccc(C)cc2n1C 58608892 YUAWDQIYHMJFCW-LEWJYISDSA-N 424.335 5.864 0 1 HKAF Cc1c(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)ncnc1-c1ccccc1 66112414 KYLIRXGFQWOYMP-UHFFFAOYSA-N 419.887 6.567 0 1 HKAF CC(C)=CCCC1=C[C@@H](C/C(C)=C/CC[C@@]2(C)C=Cc3cc(O)cc(C)c3O2)OC1=O 66113266 BNWXBVSPPVIYFO-LSJFATALSA-N 422.565 6.580 0 1 HKAF CCCCCc1nc(-c2cnc(NCCCOC)nc2-c2ccccc2C)oc1C 82177154 KOWCJKNBXZRHPH-UHFFFAOYSA-N 408.546 5.597 0 1 HKAF CN1CCC[C@@H]1CCn1c(C2CCCCC2)nc2c(NCc3cccs3)ncnc21 82190363 YCUWPFFVMKZWEM-GOSISDBHSA-N 424.618 5.032 0 1 HKAF c1ccc(CCn2c(C3CCCCC3)nc3c(NC4CCCCCC4)ncnc32)nc1 82190707 KTQXDGIBLGUGCT-UHFFFAOYSA-N 418.589 5.646 0 1 HKAF O=C(Nc1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc2ccccc12 84758492 OSBUNDKDKMTDPI-VWLOTQADSA-N 406.485 5.046 0 1 HKAF O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(CC2CC2)nn1-c1ccccc1 96273816 ZIQQHOBPJRQYEL-UHFFFAOYSA-N 400.404 5.488 0 1 HKAF CC[C@@H](C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1cccs1 100703436 MOCIKDHQSOTPNI-BZNIZROVSA-N 415.584 5.984 0 1 HKAF C[C@H](Nc1cc(N[C@H]2CC[C@H](c3ccccc3)CC2)ncn1)c1ccc(Cl)cc1 101471768 CCILFHZZYUBIAX-RBDMOPTHSA-N 406.961 6.441 0 1 HKAF CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2cccs2)C2=C(O)CC(C)(C)CC2=N1 104004186 FRULDNZHGGTRCP-NRFANRHFSA-N 407.539 5.535 0 1 HKAF Cc1cnc(-c2ccccc2C(C)C)nc1NCC1CCN(c2cccnc2)CC1 169341419 KREXNTZCOVZMKX-UHFFFAOYSA-N 401.558 5.299 0 1 HKAF CC[C@@H]1CC(=O)[C@H]2C(=NC(C)=C(C(=O)OC)[C@@H]2c2ccc(-c3ccccc3)cc2)C1 169728321 FHKDTGWGHCMOOQ-WGXRPPGPSA-N 401.506 5.344 0 1 HKAF CCC(CC)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 255251635 ODRAJQYBNQNYRL-BBJWLPDASA-N 400.691 7.779 0 1 HKAF CCCCCOc1cc2nc([C@H](C)Sc3ncccn3)[nH]c2cc1Br 586961450 JEFYPPLSBPGAND-LBPRGKRZSA-N 421.364 5.538 0 1 HKAF Cc1ccc2c3c(cc(CC(=O)N[C@H](C)c4ccccc4)nc13)-c1ccccc1C2=O 586996854 QARZZJCVIIUVCV-QGZVFWFLSA-N 406.485 5.175 0 1 HKAF Brc1ccc(-c2ccc(/C=C/c3nc4cc5ccccc5cc4[nH]3)o2)cc1 586998760 QJPIBUUKGWJJHD-ZRDIBKRKSA-N 415.290 6.909 0 1 HKAF Fc1cc(Br)cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 587006885 URCOXFPOLILLCK-UHFFFAOYSA-N 409.056 5.147 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(F)c(C)c3[nH]1)N2 587033631 ZDXBCCHNOZTXSD-ODYDIQAQSA-N 402.520 5.137 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(OC(C)C)cc2[nH]1 587035662 XVDGSZNGFGALSD-GOSISDBHSA-N 407.539 5.836 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5cnc(Cl)[nH]c-5n4)c23)cc1 587038588 PSPKBKGTUJUULK-UHFFFAOYSA-N 424.942 5.230 0 1 HKAF Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1 587048067 POUXCVLCDRITPS-JKSUJKDBSA-N 411.357 7.292 0 1 HKAF Cc1c(Br)cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1C 587083590 ZOOCNDXTRBBDQX-UHFFFAOYSA-N 421.125 6.464 0 1 HKAF FC(F)(F)c1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1 587114555 FXNBICOUDGXXFD-UHFFFAOYSA-N 410.115 5.425 0 1 HKAF Cc1cc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2cc1Br 587218534 JISPFTQRBSAEIO-FQEVSTJZSA-N 420.310 5.153 0 1 HKAF COc1ccccc1Nc1ccccc1-c1nc2cc(Br)cc(C)c2[nH]1 587241169 PPOBIMWOBIGQRG-UHFFFAOYSA-N 408.299 6.053 0 1 HKAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 587241413 AYYNEEJSQMVIGT-UHFFFAOYSA-N 417.465 6.075 0 1 HKAF COc1ccc2c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c[nH]c2c1 587347289 OVOIPJLQBDUGBC-UKILVPOCSA-N 417.436 5.296 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(Cl)cnc2CC3)c1 587360888 TUBHCTQGFWBLHN-UHFFFAOYSA-N 412.876 6.471 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccc(Cl)cc3)s1)CC2=O 587494335 LJXLUADIZKTUAQ-HSZRJFAPSA-N 412.938 6.607 0 1 HKAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)cc1F 587506843 PZXPGUXKVQTQNJ-GOSISDBHSA-N 405.263 5.182 0 1 HKAF Cc1cccc(Br)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542179 XMPKBBHIBFMOQP-NQIIRXRSSA-N 411.251 5.166 0 1 HKAF Cc1cc2c(c(C)c1Cl)[C@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545090 GOXIKNDZBSXJEK-YKSBVNFPSA-N 422.864 5.302 0 1 HKAF C[C@@]1(c2ccc(F)cc2OC(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558519 WUBLONUSHXRDJS-AVRDEDQJSA-N 416.351 5.010 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(F)c2F)o1 587568003 JJNLADJKHQRSKE-GBXCKJPGSA-N 420.367 5.633 0 1 HKAF C[C@]1(c2cccc(Oc3ccccc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602143 WTHKJCINZSKFPO-RPLLCQBOSA-N 424.452 6.062 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(C(=O)C(F)(F)C(F)(F)F)c2c1 587642159 PVDUHVRKLXJYCD-LLVKDONJSA-N 413.361 6.868 0 1 HKAF CCC[C@H](CC1(c2nc3ccc(C)nc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781244 GRQAMJUFBUSTOD-HXUWFJFHSA-N 405.542 5.628 0 1 HKAF CC[C@H](C)Oc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587791714 KNRWTNPHWKMKCL-OYMPBJRDSA-N 422.338 5.398 0 1 HKAF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(C)C 587798260 ZBUQZDBXXDFICP-FKIZINRSSA-N 408.311 5.008 0 1 HKAF COc1ccc([C@H](C)[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587810380 WZUWCJGVZPAHOH-RRMDADRESA-N 422.338 5.159 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H]2CCc2ccccc2)N1 587817895 BNJKSZUMCALZLO-LDJQZATESA-N 402.351 5.751 0 1 HKAF CC(C)[C@]1(c2ccc(Cl)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 587846900 JHEOGSMKXWZHMK-BMLIUANNSA-N 402.760 5.737 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2c(Cl)cccc2s1 587866697 JWRDMJZPHAEYPO-UHFFFAOYSA-N 423.847 6.220 0 1 HKAF O=c1c(Br)c[nH]cc1-n1c(-c2cccs2)ccc1-c1cccs1 587941744 QPYIFUUJTGYINH-UHFFFAOYSA-N 403.326 5.385 0 1 HKAF Cc1ccc(NC(=O)CCc2nnc(CCC3CCCCC3)n2C2CCC2)c(C)c1 653735670 MWJNLALSLLUFEE-UHFFFAOYSA-N 408.590 5.704 0 1 HKAF CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2cc(OC)ccc12)c1ccccc1 653857978 UERRLAUBDILGGG-NRFANRHFSA-N 412.489 5.497 0 1 HKAF Cc1ccc([C@@]2(c3ccc(CN4CCC4)cc3)NCCc3ccc(F)c(C)c32)c(C)c1 962088274 DQDZQRLJCFZAKL-MUUNZHRXSA-N 414.568 5.394 0 1 HKAF CCC(C)(C)[C@]1(c2cc(F)cc(F)c2)c2ccsc2CCN1Cc1cccnc1 963012022 PIFSBFQSMNYTHW-DEOSSOPVSA-N 412.549 6.159 0 1 HKAF COc1cc(-c2nc(-c3cc(C)nc(C(F)F)c3)c3n2C[C@@H](C)OCC3)ccc1C 1772635696 OTLXXQSUWZUJET-OAHLLOKOSA-N 413.468 5.136 0 1 HKAF Cc1c(C(=O)O)sc2nc(CCc3ccccc3)nc(NCCc3ccccc3)c12 1772652243 DDPCESZADMIJLM-UHFFFAOYSA-N 417.534 5.138 0 1 HKAF OCc1ccc2c([C@@H](CC(F)(F)F)c3cccs3)c(-c3ccccc3)[nH]c2c1 1857571048 DIYUBQZFJKPFAQ-KRWDZBQOSA-N 401.453 6.473 0 1 HKAF COc1ccc2[nH]cc(CCNCc3ccc(-c4cc(Cl)cc(Cl)c4)o3)c2c1 1857602491 WICNFMTYERIDMA-UHFFFAOYSA-N 415.320 6.076 0 1 HKAF O=C(c1ccccc1)N1[C@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)[C@H]2CC[C@@H]1C2 1857610487 RWQQMLDVQYRETM-BKSPAHHJSA-N 423.516 5.508 0 1 HKAF C(=C/c1ccccc1)\CN1CCN(CCCC(c2ccccc2)c2ccccc2)CC1 1857761329 WCCJZVCNTCBPKF-GXDHUFHOSA-N 410.605 5.930 0 1 HKAF CC(C)=CCOc1ccc(-c2oc3cc(OCC=C(C)C)cc(O)c3c(=O)c2O)cc1 1911573951 ARQASHDNIQTFGP-UHFFFAOYSA-N 422.477 5.561 0 1 HKAF CC(=O)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@@]5(C)CCCC(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 2356378108 WITVYVWRRGIEDG-NFTNGMHZSA-N 412.702 8.067 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@@H](O)C4(C)C)CC3=CC[C@@]12C 2356666342 KYXAMSIYYVIHGX-AGRCGEFISA-N 424.713 8.255 0 1 HKAF CC=C(C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 2356690210 OZNMJHSEUFVTTG-DEDHFYCESA-N 408.670 7.641 0 1 HKAF CC1=C(Cc2c(O)cc(C)oc2=O)[C@]2(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)[C@H]2CC1 2356798420 PGQIYFXKLHRAJW-LTXUKYRLSA-N 414.586 5.526 0 1 HKAF CCOc1ccc(NC(=O)N(Cc2c[nH]c3ccccc23)C2CCCCCC2)cc1 4990663 QLOOSVWENGSBPU-UHFFFAOYSA-N 405.542 6.324 0 1 HKAF C(COC(c1ccccc1)c1ccccc1)=C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 13487732 FENDTBMFHNEILH-HNRBIFIRSA-N 409.573 6.546 0 1 HKAF C[C@@H](C(=O)OCCc1ccccc1)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27558708 YMNUQLHCSOVTHI-DUXKGJEZSA-N 408.563 5.671 0 1 HKAF O=C(O)c1ccc2oc(-c3ccc(/C=C/c4ccc5ccccc5n4)cc3)cc(=O)c2c1 29226362 XLPHPSBQFASATG-KPKJPENVSA-N 419.436 5.877 0 1 HKAF Fc1ccc(-n2c3c(c4cc(F)ccc42)CN(CCCCc2ccncc2)CC3)cc1 29487655 ZRJMMGIQGZDDCJ-UHFFFAOYSA-N 417.503 5.685 0 1 HKAF CC(C)CC(=O)OCC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)O)O2 31158331 ZEDXXHHRKVXEAL-SXPGVMETSA-N 420.590 5.521 0 1 HKAF biogenic Cc1ccc2c(c1C)C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 34947145 WDJDZMKAFALYIS-RJENEKCQSA-N 422.653 6.234 0 1 HKAF Fc1ccc2c(CCCCN3[C@H]4CCC[C@@H]3Cc3[nH]c5cccc(F)c5c34)noc2c1 36093044 RVCVITJTEQPETF-ZHRRBRCNSA-N 421.491 6.062 0 1 HKAF Cc1cc(O)cc2c1O[C@]1(C)CC[C@@H]3[C@](C)(CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)[C@H]1C2 40892252 LRMHPGVONLYGQD-XFNQIGALSA-N 412.614 6.024 0 1 HKAF O=C1S/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1Cc1c(F)cccc1Cl 49583060 WDQIIVBHQBXZQG-UUASQNMZSA-N 416.688 6.022 0 1 HKAF CCC[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1 49793128 IDKVKNVGEAMACJ-CLJLJLNGSA-N 405.582 5.669 0 1 HKAF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccccc1 82132289 FHCLEZOICRFFPD-XMSQKQJNSA-N 406.574 5.444 0 1 HKAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NCc2ccccc2)nc1-c1ccccc1F 82150822 DUOYWUFHHCWZSS-VGSWGCGISA-N 418.516 5.203 0 1 HKAF CCc1cnc(-c2cnc(NCCc3ccccc3F)nc2-c2ccc(F)cc2)s1 82164831 KNKPLSJEPDYPJY-UHFFFAOYSA-N 422.504 5.762 0 1 HKAF CC[C@H](C)Nc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccccc2F)n1 82175951 RIXLLXJYXBXTHH-HNNXBMFYSA-N 402.473 6.124 0 1 HKAF CCNc1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2ccccc2n1 84618978 WVCVWOPBLAPLQC-UHFFFAOYSA-N 415.472 5.065 0 1 HKAF O=c1c(-c2ccc(F)cc2)c(-c2ccnc(NCc3ccccc3)c2)oc2ccccc12 84713485 TVLDPZQSFSFPHV-UHFFFAOYSA-N 422.459 6.273 0 1 HKAF O=c1cc2n(-c3ccccc3)nc(-c3ccccc3)nc-2cc1Sc1ccccc1 95574078 XSBNYOLTPQTPRJ-UHFFFAOYSA-N 407.498 5.551 0 1 HKAF Cc1ccc([C@@H](CC(=O)N2C[C@@H](C)C[C@H](C)C2)c2c(O)ccc3ccccc23)cc1 95594371 NDXFAXFPWSKNFC-MZLICYQSSA-N 401.550 5.880 0 1 HKAF Fc1ccc(-n2ncc(-c3nc(-c4cc(F)ccc4F)no3)c2-c2ccccc2)cc1 114561397 NSJKPBFOSRPEBW-UHFFFAOYSA-N 418.378 5.674 0 1 HKAF O=C(Oc1ccccc1)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 169314052 BTRDJLBCRUKQNT-CWPDGFFZSA-N 414.332 5.465 0 1 HKAF CCCN(CCC)CCc1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1 169315792 YVMHKINQHBKXHN-UHFFFAOYSA-N 405.579 5.254 0 1 HKAF C[C@H]1CCc2c(c3c(O)cc([C@@H](C)CCCCc4ccc(F)cc4)cc3oc2=O)C1 169344027 LZZHUHCWGBVPKU-IRXDYDNUSA-N 408.513 6.279 0 1 HKAF Cc1ccc2nc(C(=O)Nc3c(F)cc(-c4cccc(F)c4)cc3F)c(C)c(O)c2c1 169350326 GAVLXIPKVMJVLO-UHFFFAOYSA-N 422.406 5.894 0 1 HKAF COc1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cc1Cl 586975261 LBCKXHFDQNGTBZ-UHFFFAOYSA-N 406.494 5.961 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2cc(OC)ncc2[nH]1 586982096 PNKBYKPREMAPJB-UHFFFAOYSA-N 404.308 5.355 0 1 HKAF CCCn1cnc2cc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)cc(Br)c21 587003530 KPCGCNWCACLBEN-UHFFFAOYSA-N 424.224 5.166 0 1 HKAF C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(N)ncnc2[nH]1 587053465 FIHCBXCILHBZPX-JTQLQIEISA-N 416.268 5.174 0 1 HKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587061080 ADIJVPUURYIXLX-GFCCVEGCSA-N 405.754 5.796 0 1 HKAF Clc1ncc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cn1 587086247 YZHPYDHCKHDCRO-UHFFFAOYSA-N 415.678 5.015 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CN(Cc1ccccc1)C[C@@H]4C)-c1ccccc1C2=O 587096599 IGQKIUWGOSEWRV-SFHVURJKSA-N 404.513 5.874 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cnn(-c4ccc(Cl)cc4)c3)nc3cccc1c23 587103381 GPKWFPZDQJTJNU-UHFFFAOYSA-N 407.860 5.952 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Cl)c(Cl)nc3[nH]2)c(Cl)c1 587158058 CYEXFIAWPYWCSL-MRXNPFEDSA-N 422.674 6.226 0 1 HKAF Fc1ccc2c(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)coc2c1 587175405 RMEZWTXWXKSIHP-UHFFFAOYSA-N 415.140 5.776 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 587195095 BHZGQAXNFKEXOI-UHFFFAOYSA-N 417.412 5.231 0 1 HKAF CC(C)[C@H](c1nc2cc(Cl)cc(Br)c2[nH]1)N(C)C(=O)OC(C)(C)C 587197506 FPGADNLEQIFNPJ-CQSZACIVSA-N 416.747 5.543 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2CCc2ccccc2)[C@@H]1c1ccc(F)cc1 587356517 QRKDJPIXAFJYDY-WMBPSLEXSA-N 416.492 6.062 0 1 HKAF COc1cccc(-c2cc(-c3c(Cl)[nH]c4ccccc34)nc3c2oc2ccccc23)c1 587360535 PSOCYWYONZRYBQ-UHFFFAOYSA-N 424.887 7.458 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]3c2ccccc2OC)c1 587362197 GMOYELPBKNHBIZ-HXUWFJFHSA-N 407.469 6.353 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-c1cccc(Br)n1)O2 587373972 UZEWXRYMXQADKP-LJQANCHMSA-N 409.283 5.108 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3ccccc3C(F)(F)F)c1O)O2 587382356 PBCLFYQBGUEATB-HXUWFJFHSA-N 413.395 5.675 0 1 HKAF COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCc1ccc(F)cc1 587385431 SONWGOPDQYBOOY-QFIPXVFZSA-N 407.441 5.010 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(-c4cccs4)s3)s1)O2 587411712 FVJPXRNLCBMXIL-MRXNPFEDSA-N 423.584 6.802 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(CC/C=C(/C)CC/C=C(/C)CCC=C(C)C)[C@@H](C2)C3=O 587445824 OIGXHLZEYIUSQR-DSYNLHJKSA-N 422.609 7.401 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3cccc(Br)c3n1)CC2=O 587460549 TYVBXEAGDFWWFL-IBGZPJMESA-N 412.283 5.362 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccc(Cl)cc1)(c1cccc(F)c1)CC2=O 587466732 MLQVONNBNYJGIG-RUZDIDTESA-N 424.899 6.241 0 1 HKAF CCCCn1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl 587551135 DPSXNKUHVZKDKI-WIYYLYMNSA-N 412.873 5.054 0 1 HKAF C[C@H](C[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1cn(C)c2ccccc12 587580409 XRGOOVNEFJHNBX-GRFCFPJTSA-N 413.473 5.408 0 1 HKAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(C)(C)C 587590304 BOBVOGWFAAPRNB-URXFXBBRSA-N 404.462 5.401 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(N2CCCCC2)c1 587597016 TZPCBRZEWNSUQF-RDGATRHJSA-N 401.462 5.085 0 1 HKAF CS(=O)(=O)c1ccc2[nH]c(-c3cccc(Cl)c3)c(-c3nc4ccccc4[nH]3)c2c1 587648687 FUNAWBURQOJLCZ-UHFFFAOYSA-N 421.909 5.435 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1 587693741 FEBJQZDPCCNGJP-YBTHPKLGSA-N 420.709 6.125 0 1 HKAF CC[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587700617 ZNLUIIRHYMCUJI-YPMLDQLKSA-N 417.149 6.083 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2C(F)(F)F)N1 587710399 GDPQVPWZSZGPRX-PWJLMRLQSA-N 406.192 5.370 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)ccc(Cl)c2F)N1 587715552 IFBNYJVCEIACIE-CQLKUDPESA-N 404.657 5.318 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2CCCCF)N1 587722770 ZRLMPEIAIYZECR-QKKBWIMNSA-N 408.330 5.678 0 1 HKAF CCCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587790747 GGLCKSRRXABNJE-FKIZINRSSA-N 408.311 5.009 0 1 HKAF CCOc1ccc([C@]2(C3CC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587799094 ACJQDAHUVZEQBX-ZSEKCTLFSA-N 404.323 5.175 0 1 HKAF Cc1cccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 587819781 NMIQKQXQCYXGNP-WNSKOXEYSA-N 410.330 6.187 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1c(C)cccc1C 587858946 QNXAUSYGLJIOMT-UHFFFAOYSA-N 419.308 5.592 0 1 HKAF CCc1cccc(C)c1NC(=S)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587863320 GGLWRUAHRCDCGJ-UHFFFAOYSA-N 419.472 5.693 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c2C)c(OC)c1 587930951 XVPBHMUIGITVSZ-UHFFFAOYSA-N 414.292 5.924 0 1 HKAF CCO[C@H]1C[C@]2(NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)C12CCCCC2 962959871 RBUYHGBBUIQEFZ-NZQKXSOJSA-N 423.519 5.311 0 1 HKAF CC(=O)N[C@@H](C)c1nc(-c2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)no1 1772585692 KWSDTWPYMWIEPR-INIZCTEOSA-N 415.449 5.518 0 1 HKAF O=c1ccc(C=Cc2ccc(Cl)cc2)c2n1C[C@H]1C[C@H]2CN(Cc2cccs2)C1 2356291177 MZDVZANXHUVURQ-ICSRJNTNSA-N 422.981 5.353 0 1 HKAF CCC[C@H](C)CCCCCCCCCCc1cc(O)cc(OS(=O)(=O)O)c1 2356327594 DTKXGPUQRVDFCG-SFHVURJKSA-N 400.581 6.063 0 1 HKAF CC(C)=CCCC(C)=CCc1cc([C@H]2COc3cc(O)cc(O)c3C2=O)ccc1O 2356674905 YFTKBDQVWMZIOT-HXUWFJFHSA-N 408.494 5.398 0 1 HKAF CC(=O)[C@@H]1C(C)(C)C[C@@H]2C[C@H](C)C[C@@H]2[C@H](OC(=O)C=Cc2ccccc2)[C@@]1(C)C(C)C 2356698824 POKZVPGYYXWMBO-XQSBHYKUSA-N 424.625 6.571 0 1 HKAF CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(O[C@H]2CCCC3(CCCC3)C2)c1 2356773345 XKUGZEVETXTZRP-GGAORHGYSA-N 416.602 6.107 0 1 HKAF Cc1nc2c(OCCOc3ccccc3)cccn2c1N(C)C(=O)CCC1CCCC1 61896596 NKFCJQVPCUJKOZ-UHFFFAOYSA-N 421.541 5.034 0 3 HKAF COc1ccc(-c2c(-c3cc(OC)cc(OC)c3)sc3ccc(OC)cc23)cc1 61969022 IYZYVBAYZMAMOO-UHFFFAOYSA-N 406.503 6.270 0 3 HKAF CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3cc(F)ccc3C)ccc21 201456142 AUZKXJMQTZPDJH-UHFFFAOYSA-N 404.441 5.057 0 3 HKAF C[C@H](Oc1ccc2c(c1)OC[C@@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 27993660 ZMUMGTCKRJQJMD-PMZDYUJOSA-N 412.489 5.055 0 1 HKAF Cc1cc(C)c(Nc2nc(C)ccc2S(=O)(=O)Cc2ccc(Cl)cc2)c(C)c1 28570113 IHNAZNWQSJYEKU-UHFFFAOYSA-N 414.958 5.686 0 1 HKAF CN(CCCCCCCC(=O)O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 28871543 GKOHHJQMBKJZDT-UHFFFAOYSA-N 403.526 5.672 0 1 HKAF COc1cc2ncnc(Nc3ccc4c(ccn4Cc4ccccc4)c3)c2cc1OC 29211090 DIHYLNFJZYXPHB-UHFFFAOYSA-N 410.477 5.394 0 1 HKAF COc1ccc2c(c1)c(CC(=O)OC(C)(C)C)c(C)n2C(=O)c1ccc(Cl)cc1 32179380 JDNRBNRROYRSAG-UHFFFAOYSA-N 413.901 5.184 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@@H](O)CO 32840951 UDZUDFKFJCAENZ-UGLSNKNVSA-N 406.607 5.809 0 1 HKAF endogenous,in-man CN1[C@H]2CC[C@@H]1[C@@H](COC(c1ccccc1)c1ccccc1)[C@H](c1ccc(F)cc1)C2 36177107 KHRLEZKJOSUGEB-YIPNQBBMSA-N 415.552 6.198 0 1 HKAF CC(=O)C1=NN(c2ccc(Cl)cc2)C2(S1)c1ccccc1Sc1ccccc12 40428689 BETDHWOLBRZMEO-UHFFFAOYSA-N 422.962 6.162 0 1 HKAF CC(C)N(C(=O)[C@@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CCC(=O)N4C)[C@@]2(C)C1)C(C)C 40519845 VMAUAPIAAHKASV-YWUSZUDSSA-N 416.650 5.111 0 1 HKAF COc1cc2c(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)[C@](C)(C(F)(F)F)CC2 40918843 GBVQHYZYTIYQSZ-ACIOBRDBSA-N 418.503 5.044 0 1 HKAF COc1ccc(CNCc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)cc1 45325068 DYQMKBQFTOBRKI-UHFFFAOYSA-N 419.528 6.195 0 1 HKAF Cc1ccc(-c2nc(SCC(=O)Nc3ccccc3)c3cc(Cl)ccc3n2)cc1 64532014 YKBYWBQBGMYHNV-UHFFFAOYSA-N 419.937 5.989 0 1 HKAF Cc1cc(C(=O)CCc2ccc(CCC(=O)c3cc(C)sc3C)cc2)c(C)s1 68604139 DRRBZBUWPKUSAZ-UHFFFAOYSA-N 410.604 6.674 0 1 HKAF biogenic c1ccc(Cn2cc[n+]3c2[C@H]2c4ccccc4[C@H]3CC2(c2ccoc2)c2ccoc2)cc1 100726815 ZSGXEXDVGCYEDI-CLJLJLNGSA-N 419.504 5.435 0 1 HKAF COc1cccc2c1O[C@@H](CN1[C@H]3C=C(c4ccc5ccccc5c4)C[C@H]1CC3)CO2 100984924 JOHWPBIJXSBHPU-SMIHKQSGSA-N 413.517 5.309 0 1 HKAF CC(C)N(CCSc1ccc2c(c1)C(C)(C)c1oc3ccccc3c1C2=O)C(C)C 116889862 OLCKKFGORPGGBY-UHFFFAOYSA-N 421.606 6.514 0 1 HKAF Cc1[nH]c(C)c(-c2ccc(OCc3cccc(C(F)(F)F)c3)nc2)c(=O)c1Cl 141340015 OACMRIHGWJGRCG-UHFFFAOYSA-N 408.807 5.305 0 1 HKAF O=C1CCC[C@@H](c2c(Cl)cccc2Cl)N1Cc1ccc(OC(F)(F)F)cc1 166894293 HTPVNCQWSJTLML-INIZCTEOSA-N 418.242 6.146 0 1 HKAF C[C@@H]1[C@H]2Cc3ccc(I)cc3[C@@]1(C)CCN2Cc1ccccc1 169338743 KAICFMDUDWIURZ-LPTQZCDUSA-N 417.334 5.016 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2cccc(Cl)c2)cc1)C3 195249399 FNNDPKKFONPQIL-DVKWOTQPSA-N 421.968 5.684 0 1 HKAF COc1cc(Cc2c(C)cc3c([nH]c4ccccc43)c2OC)cc2c1[nH]c1ccccc12 203448914 RZLICGQJNCVOPS-UHFFFAOYSA-N 420.512 6.872 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@H]1CC3 255222887 KLZWTHGLLDRKHD-DTVYFDAISA-N 412.702 8.089 0 1 HKAF CC(C)CC[C@@H](O)[C@](C)(O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C 299850091 LMMRHWWBNFVJIU-DVUUTMFCSA-N 404.679 6.584 0 1 HKAF O=C(Nc1ccc(SC[C@@H]2CCCN3CCCC[C@@H]23)nc1)c1ccc(Cl)cc1 504756446 CFNDGXQEAPDDFK-PXNSSMCTSA-N 415.990 5.344 0 1 HKAF biogenic CCCCOc1cc2nc(-c3ccccc3/C=C/C(=O)O)[nH]c2cc1Br 586882442 TXDGKWZOPNEDIT-CMDGGOBGSA-N 415.287 5.269 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1 586918343 WXVMBGPYZNOPOG-IFXJQAMLSA-N 406.429 5.391 0 1 HKAF FC(F)(F)Oc1cc2[nH]c(-c3ccc(-c4nccs4)s3)nc2cc1Cl 587023128 FMBXJQVAWHSFJP-UHFFFAOYSA-N 401.822 5.967 0 1 HKAF COc1ccc2c(c1)C=C(c1cc3c4c(ccc(C)c4n1)C(=O)c1ccccc1-3)CO2 587101483 NNTQTPKJLLJEQC-UHFFFAOYSA-N 405.453 5.696 0 1 HKAF Cc1ccc2c3c(cc(/C=C/[C@@H]4C(C)(C)CC[C@@H]5O[C@@]54C)nc13)-c1ccccc1C2=O 587102047 LYGYQOVJLBICAU-TWFOFJTASA-N 409.529 6.362 0 1 HKAF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C3(F)CCCCC3)[nH]c2c1 587131623 AHTOHGWBFGKCLC-UHFFFAOYSA-N 407.898 5.146 0 1 HKAF COc1ccc(C(=O)c2ccccc2-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1F 587143704 DVBRQOQYLBRFIG-UHFFFAOYSA-N 415.346 5.022 0 1 HKAF CCOC(=O)c1ccc2nc(Cc3cccc(-c4ccc(F)cc4OC)c3)[nH]c2c1 587158229 AUQJQYUVXVZREF-UHFFFAOYSA-N 404.441 5.145 0 1 HKAF Fc1ccc(/C=C(/c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c2cccs2)cc1 587162452 BHJOVHFPMOCEME-RIYZIHGNSA-N 406.379 6.510 0 1 HKAF Cc1ccc(F)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1Cl 587329289 DLWRNDXJSSMJPS-AUSIDOKSSA-N 414.835 5.907 0 1 HKAF C[C@@]1(c2c(F)ccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330221 GAPGMKZFXOIUEX-XMSQKQJNSA-N 418.798 5.737 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cccc(Cl)c1 587375895 ANFUPKJCZMYGDA-QHCPKHFHSA-N 423.896 5.525 0 1 HKAF Cc1cc([C@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)s1 587376248 PEOIIGYXYJAONP-VWNXMTODSA-N 410.510 6.120 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(F)(F)F)ccc1Br)O2 587381395 HZTVDTJTBZIVIV-OAHLLOKOSA-N 400.194 5.065 0 1 HKAF COc1ccc([C@]2(c3cccc(F)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587501855 GGOGHQLNTCTJSE-SANMLTNESA-N 402.465 5.622 0 1 HKAF CSc1cc(Br)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587532839 PAEYWLWWSUMGML-SFHVURJKSA-N 403.341 5.756 0 1 HKAF CCCCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587599250 WRWAAUCZJLGHIS-WIOPSUGQSA-N 404.462 5.664 0 1 HKAF CCc1c(-c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[nH]c2ccc(F)c(Cl)c12 587628634 PEXCLGKOGJBPJN-UHFFFAOYSA-N 408.087 6.071 0 1 HKAF Cc1ccc(C)c(SCc2[nH]c3c(C(=O)O)cccc3c2-c2ccccc2F)c1 587637874 QGLLJHNPTQZJCF-UHFFFAOYSA-N 405.494 6.581 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)cc2)N1 587678395 JUZSCMWHAQQPJN-QGHHPUGFSA-N 413.128 5.148 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3ccnc3)c(Cl)c2)N1 587694359 LJNUJWRJNCUVJI-WLRWDXFRSA-N 420.713 5.051 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(F)c3F)o2)N1 587725143 BMUABKZZGJWFLV-SBKAZYGRSA-N 422.244 5.750 0 1 HKAF COc1ccccc1-n1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587754456 MCIUKWHZPCULBF-ASSNKEHSSA-N 415.306 5.011 0 1 HKAF CCCCC[C@H](C(=O)OCC)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798488 ONTGVOIGXHIQJG-AGKSTNPPSA-N 414.359 5.097 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]2C(=O)c2ccccc2)N1 587818216 CSTVFLCSPCXCLB-ZQWRNJAYSA-N 402.307 5.001 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccn3)s2)N1 587849849 WOSFXFCVHLMSFS-WYRIXSBYSA-N 403.320 5.335 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccsc3)c2)N1 587853296 MJBBRYVJKRHVSS-ODXCJYRJSA-N 402.332 5.940 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1cc(C)cc(C)c1 587865061 TZCQCOOJVAEZPQ-UHFFFAOYSA-N 418.415 5.304 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1/C(=C/c1ccccc1)c1ccccn1 587868271 YJNGWPNHOZVGEQ-DEDYPNTBSA-N 422.410 5.414 0 1 HKAF O=C(O)c1cccc(-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)c1 587923263 YOUCCFBPMZJTBG-UHFFFAOYSA-N 414.461 6.463 0 1 HKAF CC[C@@]1(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)CC(=O)c2ccccc2C1 587960074 KHZJTSYFKUZBKB-MHZLTWQESA-N 410.517 5.910 0 1 HKAF Cc1ccccc1-c1cccc(COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)c1 653690530 SRSDPVWBXKRHAZ-JOCHJYFZSA-N 403.503 5.135 0 1 HKAF COc1ccc2c(c1)[C@](c1ccc(C)cc1)(c1c(N)sc(C)c1C)N(C(C)C)CC2 962092316 QGRIKIAJPLJVDC-AREMUKBSSA-N 420.622 5.823 0 1 HKAF Cc1cccc([C@]2(C(C)(C)C)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c1 962708443 ZAYKHTSOQSDEGE-RXVVDRJESA-N 409.423 5.042 0 1 HKAF CCCCC[C@@]1(CCCCCCC(=O)OCC)NCCc2c1c(C(C)C)nn2C 962917051 KKQJNEZSAUXVAS-DEOSSOPVSA-N 405.627 5.369 0 1 HKAF CN(C)C(=O)c1ccc2c(c1)[C@@](c1cccc(Cl)c1Cl)(C1CCCC1)NCC2 962931761 PGOBERLAVWHPPS-QHCPKHFHSA-N 417.380 5.275 0 1 HKAF C[C@@]1(c2c(F)c(F)c(F)c(F)c2F)c2ccsc2CCN1Cc1cccnc1 962998843 WJXVXMRGLKMIMT-FQEVSTJZSA-N 410.411 5.160 0 1 HKAF CC[C@@]1(c2cccc(F)c2C)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963188757 WMJNRUDBLHLOFJ-KXBFYZLASA-N 415.814 5.059 0 1 HKAF Cc1c(CCC(=O)O)ccc(OCc2scnc2-c2ccc(Cl)cc2)c1C 1772623654 NILAJPHWWXDCHK-UHFFFAOYSA-N 401.915 5.677 0 1 HKAF O[C@@H]1CN(CC[C@@H](F)Cc2ccccc2)CCc2cc(OCc3ccccc3)ccc21 1857611494 JWHMTILOEMGBNO-SHQCIBLASA-N 419.540 5.128 0 1 HKAF CC(=CC[C@@H](O)c1ccoc1)CCC=C(C)CCC[C@H](C)C=C1OC(=O)C(C)=C1O 2356344774 PQUZEETWPHPNIP-SIKLNZKXSA-N 414.542 6.455 0 1 HKAF CC(C)[C@H](C)[C@H](C)C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356564992 KTGGCSVZUGUIFS-PJAOAAFWSA-N 416.734 7.961 0 1 HKAF C[C@@H]1CC[C@]2(NC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5CC(O)=CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 2356592584 CUAMUAVAAWICIQ-KZFLPUHTSA-N 413.646 6.058 0 1 HKAF CC(C)n1nc(C(=O)NCC2CCN(CCC3CCCCC3)CC2)c2ccccc21 590651 AEZWRQGIWKPQGN-UHFFFAOYSA-N 410.606 5.029 0 1 HKAF CC(C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F 773720 UBZOWDJMCNAXRR-UHFFFAOYSA-N 421.241 5.188 0 1 HKAF O=S(=O)(N=S(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1 1634500 NMIZMYYFBFFXGK-UHFFFAOYSA-N 410.347 5.602 0 1 HKAF CC(C)[C@H](C)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F 2483074 CNEBVEFMANNYCR-LBPRGKRZSA-N 404.844 5.715 0 1 HKAF CC(C)[C@H](C)NC(=O)c1c(-c2ccccc2Cl)noc1-c1c(F)cccc1Cl 2484988 AAXHYCKRCLYAJB-LBPRGKRZSA-N 421.299 6.229 0 1 HKAF O=c1sc(NC2CCCCC2)nc2sc3c(c12)CCN(Cc1ccccc1)C3 13678177 AKATXXKISYUURO-UHFFFAOYSA-N 411.596 5.021 0 1 HKAF CCCCC(=O)N[C@H](CNC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 13737136 BVAWFDQFVDCUJB-HSZRJFAPSA-N 423.601 6.103 0 1 HKAF COc1cc(OC)c(-c2coc3c(CC=C(C)C)c(OC)ccc3c2=O)cc1OC 14762980 RJNWIKZTUCDSTR-UHFFFAOYSA-N 410.466 5.003 0 1 HKAF biogenic CC[C@@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(C4CCCCC4)oc3C)ccc21 28565217 VZZWXAKUDHTJLN-IRLDBZIGSA-N 411.542 5.793 0 1 HKAF c1ccc(CN2C[C@H](CNCCCc3c[nH]c4ccccc34)Oc3ccccc32)cc1 28570651 WQZDAFQSPAHESA-QHCPKHFHSA-N 411.549 5.158 0 1 HKAF Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1Nc1nc(-c2cccnc2)c[nH]1 40898510 ZPFPYBQNDGANTR-UHFFFAOYSA-N 403.873 5.429 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)C(C)C 45285483 DXSCVNXGNJVZAB-YHWFYDKQSA-N 412.618 5.013 0 1 HKAF C[C@@H](CN(C)C)C(=O)Nc1cccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)c1 45302479 YXBZTSPLRKSVAJ-INIZCTEOSA-N 416.500 5.172 0 1 HKAF COc1cnc(CC[C@@H](O)c2nccc3c2[nH]c2ccccc23)c2[nH]c3ccccc3c12 49054092 GTZRIYMZERYQDX-OAQYLSRUSA-N 422.488 5.420 0 1 HKAF biogenic FC(F)(F)c1ccc2c(c1)[C@H]1O[C@@H](Cn3cncn3)CC[C@H]1[C@H](c1ccccc1)N2 49112518 INUKTASUMGDABV-SEONNTABSA-N 414.431 5.000 0 1 HKAF CC[C@@H](C)CN[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC)CC[C@]4(C)[C@H]3CC[C@@]21C 72134968 BFJBAMHNODMFFF-YSQMORBQSA-N 401.679 6.605 0 1 HKAF CCCCNc1ncc(C(=O)NCC2CC2)c(-c2ccc(-c3ccccc3)cc2)n1 82153627 JMIJGIUBWMALCV-UHFFFAOYSA-N 400.526 5.162 0 1 HKAF CCCCCn1c(-c2ccsc2)nc2c(NCCc3ccccc3F)ncnc21 82180771 DQMAVJNEUXARGA-UHFFFAOYSA-N 409.534 5.539 0 1 HKAF CC[C@H](C)Cn1c(-c2cccs2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82222724 CPSYUYRTWHGJGS-AWEZNQCLSA-N 411.962 5.866 0 1 HKAF c1ccc(CCCCN2[C@@H]3CC[C@@H]2c2c(n(-c4ccccc4)c4ccccc24)C3)cc1 100753913 ZIKSLIAMFOSMMG-SHQCIBLASA-N 406.573 6.715 0 1 HKAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)O[C@H]3CC[C@H](C)CC3)CN(C)[C@H]1C2 103021203 PRLKDWJIMFKGSZ-AMWHOVMPSA-N 408.586 5.304 0 1 HKAF CCOc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cccc(C)n2)cc1 103540151 MAQCPWOJHRXEAA-QHCPKHFHSA-N 417.509 5.236 0 1 HKAF CCOc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 103682733 GYDITFIWXKRIEA-OAQYLSRUSA-N 420.900 5.669 0 1 HKAF Cc1ccc2c(c1C)C1=CC[C@@H]3[C@@]4(C)CC[C@@H](O)[C@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 143396709 NOMDWAAODUIOPI-LJAWVBNOSA-N 422.653 6.235 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C 255219091 IABNMGOOKVIIKC-DTWFSKEGSA-N 418.662 5.474 0 1 HKAF COc1ccc(-c2cnc3snc(NC(=O)[C@H]4CC[C@H](C)CC4)c3c2)cc1OC 299820450 GWNFAAADQPQPOU-HDJSIYSDSA-N 411.527 5.140 0 1 HKAF COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2c[nH]c3ccccc23)C[C@H]1C 299878710 JOYFTIBCCGDFHM-ZTHZXAOBSA-N 401.466 5.048 0 1 HKAF CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@@H]1C(=O)CCC(=O)[C@H]13 504533215 JPGGQHZUOUAFHK-RRRYDEFQSA-N 412.570 5.060 0 1 HKAF biogenic CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(Cl)cnc4[nH]3)c(=O)oc2c1C 586917106 DXLVXLBGGRMAPK-UHFFFAOYSA-N 423.900 5.270 0 1 HKAF Cc1cc(Cl)cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 586998749 PXRBRKPKOIXIMQ-VQHVLOKHSA-N 413.702 6.718 0 1 HKAF Brc1nc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(C2CC2)s1 587012871 MKCFSIRJODTYFP-UHFFFAOYSA-N 412.312 6.119 0 1 HKAF Cc1ccc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2c1 587014187 MAUSCVSFRPTCMC-UHFFFAOYSA-N 420.538 5.933 0 1 HKAF CCCCCOc1cc2nc(-c3cnc(Cl)s3)[nH]c2cc1Br 587023105 KHWXLJIIHDXBQA-UHFFFAOYSA-N 400.729 5.671 0 1 HKAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C=C/c3ccsc3)[nH]c2c1 587025388 JQXHWEYPEQSSQR-UNXLUWIOSA-N 415.927 5.249 0 1 HKAF Cc1cc(Br)cc2nc(COc3ccccc3C3SCCS3)[nH]c12 587040183 GGPIOFMYOCGQRX-UHFFFAOYSA-N 421.385 5.691 0 1 HKAF Cc1cc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2cc1Cl 587081043 KIAJEBLKADSCHI-UHFFFAOYSA-N 420.299 6.766 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC[C@]1(C4)C(=O)Nc3ccccc31)-c1ccccc1C2=O 587097606 RQRBGTDTNLNKKF-MUUNZHRXSA-N 416.480 5.133 0 1 HKAF Cc1c(-c2ccc(OC[C@@H]3CO3)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587101970 RQMJTGJWMHIAAB-LJQANCHMSA-N 407.469 5.508 0 1 HKAF Nc1ccnc2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc12 587113151 YLIOQWYOGOQSOP-UHFFFAOYSA-N 422.332 5.912 0 1 HKAF Fc1ccc(-c2ccccc2-c2nc3cc(Br)cc(F)c3[nH]2)cc1F 587144731 CLMRMPWUBLOMDE-UHFFFAOYSA-N 403.201 6.077 0 1 HKAF Fc1cc(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)ccc1-c1ccccc1 587144886 FNYVBKSXUMALLU-UHFFFAOYSA-N 421.344 6.009 0 1 HKAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1 587166909 DLDCPLJELLKPDK-INIZCTEOSA-N 424.423 5.683 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCc3cccc(Cl)c3C2)[C@H]1c1ccc(F)cc1 587328925 KXBSHRQOWXNXDE-UPVQGACJSA-N 408.856 5.471 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCCc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 587331771 PRJDTQDQFAJSOG-ZCYQVOJMSA-N 422.883 6.166 0 1 HKAF Nc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1-2 587332239 FQKWOFGLHYGNSZ-BDYUSTAISA-N 423.443 5.397 0 1 HKAF COc1cccc(-c2cc(-c3ccnn3-c3ccccc3)nc3c2oc2ccccc23)c1 587362874 JEASTGHLLJXUMM-UHFFFAOYSA-N 417.468 6.509 0 1 HKAF COc1cccc(-c2cc(-c3ccc4c(c3)cc(O)n4C)nc3c2oc2ccccc23)c1 587363106 PFSFLOCRVWMHFP-UHFFFAOYSA-N 420.468 6.521 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](c2ccccc2)CC3)c1 587366367 LPCJTPGATMCWTJ-LJQANCHMSA-N 405.497 6.929 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@H]3c2ccco2)c1 587367382 WMQQGPZTMXGYNW-IBGZPJMESA-N 409.441 5.897 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1C)O2 587392902 XCMIMMPXBLLULV-XMMPIXPASA-N 409.489 5.445 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC(C)C)([C@H](C)NC(=O)OC(C)(C)C)CC2=O 587470069 LXNXWWNURAIENV-WNSKOXEYSA-N 405.535 5.008 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC2(CCCCC2)Oc2cc(O)ccc21 587485795 JYZGRZKLMHBHHX-VWLOTQADSA-N 408.494 5.396 0 1 HKAF O=C1C[C@@H](c2c(Br)cc(F)c(F)c2F)Oc2c1ccc1c2CCCC1 587504570 JJLFZIZIFJLJMS-HNNXBMFYSA-N 411.217 5.452 0 1 HKAF C=CN1CCCC[C@@H]([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587514371 NXDIWRKWNGJWAL-YIXXDRMTSA-N 415.533 5.198 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ccc(Cl)cc2n1 587555240 ZLVPWIGINRRCDS-NFBKMPQASA-N 403.821 5.297 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc(F)cc1 587574057 YKUVMRUWYPITGF-ZJSXRUAMSA-N 401.393 5.025 0 1 HKAF Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc2ccccc12 587616745 GLJNYLXAFHMMJQ-HYBUGGRVSA-N 402.471 5.792 0 1 HKAF Cc1c(-c2ccc(Br)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587620986 MYMAPXZXNGVJNB-UHFFFAOYSA-N 405.093 5.545 0 1 HKAF CCOC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587621921 PCYNWBQVSDDRAE-UHFFFAOYSA-N 418.678 5.304 0 1 HKAF CCOc1ccc(-c2nn(-c3ccc(C)cc3C)c(=O)c3ccccc23)cc1OCC 587668489 CIZQJRCNTNQWHH-UHFFFAOYSA-N 414.505 5.467 0 1 HKAF Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 587676601 HOXSUCNIIAIMIJ-QGHHPUGFSA-N 413.128 5.283 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(C(F)(F)F)c2F)N1 587710959 IDWHBRDCPLDAOK-HYORBCNSSA-N 424.182 5.509 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F 587720785 URPZURHZVVBNBB-BTDLBPIBSA-N 400.238 5.122 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CSC(F)F)o2)N1 587722436 YQLXZKCLYWWIJT-GLEZIHRCSA-N 406.267 5.261 0 1 HKAF Cc1cc(C)n(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)n1 587767279 XVTKFEBCEOYUKK-QKVFXAPYSA-N 414.322 5.014 0 1 HKAF CC[C@]1(c2ccc(-c3ccccc3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814913 WSLOOODQJVZQPL-UPCLLVRISA-N 424.357 6.443 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2c(s1)CCCCC2 587863747 GRTRBUIRUGVLFD-UHFFFAOYSA-N 420.456 5.596 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1c[nH]c2ccccc12 587867220 XZQRJZOGDWGMPB-UHFFFAOYSA-N 413.399 5.332 0 1 HKAF CC1(C)COC(c2cccc(-n3c(O)cc(-c4ccc(C(C)(C)C)cc4)c3O)c2)=N1 587934112 BAPQRSFJDFWDEM-UHFFFAOYSA-N 404.510 5.408 0 1 HKAF Cc1c(F)ccc2c1[C@@](C[C@H]1OC(=O)c3ccccc31)(c1ccc(Cl)cc1)NCC2 962148251 SHOCRFCDURVSKM-RCZVLFRGSA-N 421.899 5.479 0 1 HKAF COc1ccc2c([C@@]3(C)c4c(ccc(OC)c4OC)C[C@H](C)N3C)c(OC)ccc2c1 962626609 MOFUUMGNBNSBRB-YHAMSUFESA-N 421.537 5.014 0 1 HKAF CCC[C@]1(c2sccc2C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962642037 NIWNBAUGUXIJLD-ZEQKJWHPSA-N 402.607 5.847 0 1 HKAF C[C@]1(c2cc(Br)cc(F)c2F)NCCc2cccc(-c3ccccc3)c21 962670217 VGOFWTDDTOPHJM-JOCHJYFZSA-N 414.293 5.804 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)c1ccccc1O[C@@H]2c1ccc(O)cc1 962946739 AMAMRSVAPQSDLA-TZPLSLOTSA-N 424.500 5.010 0 1 HKAF COc1cccc2cc3c(nc12)[C@](c1cnccc1C)(c1c(C)cccc1C)NCC3 963072151 XICPYGYCDITENN-MHZLTWQESA-N 409.533 5.001 0 1 HKAF CC(C)(C[C@]1(c2ccc(Cl)cc2)c2ccc(F)cc2C[C@@H]2CCCN21)C(=O)O 963106694 KDTUNRBQCVLFMR-CVDCTZTESA-N 401.909 5.244 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCC(=O)OCC)c1ccccc1OCC 963225527 FEAMLISRMGSJGN-FNZWTVRRSA-N 409.570 5.329 0 1 HKAF CN1CCc2c(Br)cccc2[C@@]1(c1ccccc1Cl)C1CCCC1 963269045 DQLURTGZTOVJIY-OAQYLSRUSA-N 404.779 6.024 0 1 HKAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2Cc1ccccc1F 963842152 VCIMHJAVMNISDL-WIYYLYMNSA-N 413.489 5.054 0 1 HKAF Cc1cc(-c2ccc3ncc4nnn([C@@H](C)c5ccc(F)cc5)c4c3c2)ccc1F 1772650710 BQTBHSXMHJMIAH-HNNXBMFYSA-N 400.432 5.842 0 1 HKAF O=C(Nc1cccc(Cl)c1)c1cc(C(F)(F)F)ccc1OCc1ccccc1 1857546664 RAEGTJCRJISCHY-UHFFFAOYSA-N 405.803 6.190 0 1 HKAF Cc1noc(C)c1-c1ccc2c(Nc3ccc(F)cc3)nn([C@H]3CCCCO3)c2c1 1857561634 GWHSACXGSRUDLY-OAQYLSRUSA-N 406.461 5.890 0 1 HKAF O=C(O)C[C@H](c1ccc2c(c1)O[C@H](c1ccc(-c3cccc(O)c3)cc1)CC2)C1CC1 1857633327 PHEYUQCJRZQNEM-DQEYMECFSA-N 414.501 6.094 0 1 HKAF O=C(O)Cc1ccc(NC(=O)c2cccc(-c3cc(Cl)cc(Cl)c3)c2)cc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lc1ccccc1N1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 201455539 SONYVZHUXMSZHE-UHFFFAOYSA-N 405.954 5.705 0 3 HKAF COc1ccc([C@@H](CCOC(=O)Oc2ccccc2)c2cc(OC)cc(OC)c2)cc1 203471962 RWALDKLYQAONKY-XMMPIXPASA-N 422.477 5.450 0 3 HKAF Cc1ccc2oc(=O)c(C(=O)Nc3nc(C45CC6CC(CC(C6)C4)C5)cs3)cc2c1 6006849 GTNFTNQCHVABPX-UHFFFAOYSA-N 420.534 5.278 0 1 HKAF O=C(c1ccco1)N1CCC(c2c[nH]c3ccccc23)(c2c[nH]c3ccccc23)CC1 6806687 LANKPAGICHGHNU-UHFFFAOYSA-N 409.489 5.465 0 1 HKAF Cc1cccc(-c2nc(Cn3c(=O)cc(-c4ccccc4)c4c(C)nn(C)c43)c(C)o2)c1 8605988 VOFZHFWBKVFTPC-UHFFFAOYSA-N 424.504 5.031 0 1 HKAF COc1c(Cc2ccc3c(c2)c2ccccc2n3OC)c(C)cc2c1[nH]c1ccccc12 14611034 YYRPUELRJDVFIY-UHFFFAOYSA-N 420.512 6.395 0 1 HKAF biogenic O[C@H](CNCc1ccccc1Oc1ccccc1)c1cc(Br)cs1 14966828 JVMPJVROHTYUSG-QGZVFWFLSA-N 404.329 5.126 0 1 HKAF C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@@H](O)c1cccc2ccccc12 14970208 FWLWRHKXDGEBTC-PKXQUSJVSA-N 424.519 6.254 0 1 HKAF CC(C)=CCC[C@H](C)C1=C(O)[C@](CCc2ccccc2)(C(=O)NC(C)(C)C)OC1=O 26837682 JHSYOWGHTHLLSW-AVRWGWEMSA-N 413.558 5.024 0 1 HKAF O=C1C[C@@H](c2ccc(C3CCCCC3)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O 27083439 AALKGCDYNXDWDN-SFHVURJKSA-N 421.924 5.853 0 1 HKAF CCCC/C=C/c1ccc2nc(/C=C/c3cccc(OCC(=O)OC)c3)ccc2c1 27216742 GCYBLKPWUZCWEU-SIGMCMEVSA-N 401.506 6.160 0 1 HKAF CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccc(F)cc4)c3c2C)cc1 28569150 JDKKIGNCPHGZFQ-UHFFFAOYSA-N 404.489 5.496 0 1 HKAF COCc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F 28711196 TWJFQLDHQKQCBP-UHFFFAOYSA-N 400.375 5.454 0 1 HKAF CN(C)C12C[C@H](c3ccccc3)C([C@H](OC(=O)C(C)(C)C)C1)[C@H](c1ccccc1)C2 28863142 QTJGCUCNGLCPFR-CHUJDFLVSA-N 405.582 5.626 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@@H](O)CO 32840959 IDSLCYURGAOTOA-YAWQMZOFSA-N 404.591 5.585 0 1 HKAF endogenous,in-man CC(C)=CCc1c2c(c(O)c3c1O[C@@H](c1ccc(O)cc1)CC3=O)C=CC(C)(C)O2 34165800 PDTJZCUQXSFLDW-HXUWFJFHSA-N 406.478 5.497 0 1 HKAF biogenic CN1C(c2c(Cl)cccc2Cl)=Cc2cnc(Nc3ccc(F)cc3)nc2N1C 36187653 NIIWKBLUOHIJFH-UHFFFAOYSA-N 416.287 5.461 0 1 HKAF Cc1ccc(S(=O)(=O)Nc2scc(C)c2-c2nc3ccccc3s2)cc1 43012468 YHROPUVAJQYJSM-UHFFFAOYSA-N 400.550 5.442 0 1 HKAF Cc1csc(NS(=O)(=O)c2ccc(F)cc2)c1-c1nc2ccccc2s1 43080407 IAWAKDHWNDQPDV-UHFFFAOYSA-N 404.513 5.273 0 1 HKAF COc1ccc(Nc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1 45283622 PPVICXFDCXSVFQ-WYMJOSIYSA-N 402.582 5.907 0 1 HKAF CNCc1ccc2[nH]c(-c3coc(Cc4cc(Cl)ccc4OCC(C)C)n3)nc2c1 45324450 AWGUFGMLPNGSOO-UHFFFAOYSA-N 424.932 5.216 0 1 HKAF CC(=O)c1ccc(N2CCN(Cc3coc(-c4cccc5ccccc45)n3)CC2)cc1 72181057 HKYNVLQJJOQHLX-UHFFFAOYSA-N 411.505 5.020 0 1 HKAF CC[C@H](C)[C@H](NCc1ccc(C)cc1)c1nc(-c2ccccc2)c(N2CCCCC2)o1 72181944 PGQOKPXTBCLMFQ-URXFXBBRSA-N 417.597 6.517 0 1 HKAF Cc1cccc(-c2nc(NC3CCCC3)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 82167398 GDICSFWMTWZOPC-UHFFFAOYSA-N 410.521 6.437 0 1 HKAF CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2Cl)cc1 84653095 AETLVPLXAYJKBY-UHFFFAOYSA-N 414.880 5.783 0 1 HKAF CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(O[C@@H]2CCCC3(CCCC3)C2)c1 85629139 XKUGZEVETXTZRP-FYYLOGMGSA-N 416.602 6.107 0 1 HKAF biogenic,in-vitro CC1=CC[C@@]2(C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@@H]1C 85918023 CJRZLPSJKBMUPM-JPLXDNNESA-N 424.713 8.233 0 1 HKAF in-man O=C(CCc1c[nH]c2ccc(Cl)cc12)NCCCc1c[nH]c2ccc(Cl)cc12 98084345 WGRAJIMLOPCHNT-UHFFFAOYSA-N 414.336 5.638 0 1 HKAF Cc1ccc(Oc2ccc(CNC(=O)c3c(Cl)c(C(C)(C)C)nn3C)cc2)cc1 98085040 FTRAAEALMKTKTA-UHFFFAOYSA-N 411.933 5.402 0 1 HKAF CC(C)=CCC/C(C)=C\CC/C(C)=C\CC/C=C(\C)CC/C=C(/C)CCC=C(C)C 100351159 YYGNTYWPHWGJRM-WNXYNAKCSA-N 410.730 10.605 0 1 HKAF CCCCOc1cc2nnnc(Nc3ccc(F)c(C(F)(F)F)c3)c2cc1OC 103295891 DCVBYCNBHAPXCP-UHFFFAOYSA-N 410.371 5.114 0 1 HKAF COc1ccc([C@@H]2CN3CCC[C@H]3c3cc(OCCCN4CCCCC4)ccc32)cc1 139999771 BDHLYFHGXMWWJR-SVBPBHIXSA-N 420.597 5.232 0 1 HKAF CC[C@H](C)CCCCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O 140338143 QIAIIBVHTBCSOC-BGQWBQKZSA-N 420.722 9.641 0 1 HKAF CC1(C)CC(=O)[C@@H]2C(=Nc3ccc(C(=O)O)cc3N[C@@H]2c2c(F)cccc2Cl)C1 169722089 LGUKSKUMIRVUCO-VQTJNVASSA-N 414.864 5.422 0 1 HKAF O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cccc(F)c2F)cc1 205318304 INENGEZLUKTGNG-UHFFFAOYSA-N 424.878 5.663 0 1 HKAF COc1cccc(Oc2cccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)c2)c1 205318600 NURKFVKLOCNXBZ-UHFFFAOYSA-N 420.896 5.595 0 1 HKAF C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2C 256408218 CIBAPVLFORANSS-PWEOEGBUSA-N 414.630 6.002 0 1 HKAF endogenous,in-man CC(C)(C)c1cccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 586959063 ILUAHHBPADQNDW-GDLZYMKVSA-N 402.563 5.899 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(-c4ccc(Cl)cc4)no3)nc3ccc(O)c1c23 586986179 OTRYACCOBNRBLN-UHFFFAOYSA-N 424.843 6.127 0 1 HKAF Cc1cc(C)c2[nH]c3c(c2c1)Cc1c-3nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990469 YATILLRPMRDALG-UHFFFAOYSA-N 402.453 5.821 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1cccc(Br)c1C4)-c1ccccc1C2=O 586993149 ITSWMOCNZULBDB-UHFFFAOYSA-N 412.286 6.088 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(N)c(Br)c4)nc13)-c1ccccc1C2=O 586994292 XJBMQODSCDUIPD-UHFFFAOYSA-N 415.290 5.766 0 1 HKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(OCc3ccccc3)cccc2[nH]1 587067228 ZJAJMXFTBAXJKO-UHFFFAOYSA-N 413.908 6.561 0 1 HKAF CC(C)(C)c1cccc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 587069760 FFYQRQJNSFIAJK-SFRKWAHLSA-N 413.392 7.533 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(F)cnc(Cl)c2[nH]1 587072838 YCFYNHPEGFXSOH-QEHRABDOSA-N 410.707 6.423 0 1 HKAF Clc1ccc(C2=C[C@@H](c3nc4ccc(OCc5ccccc5)cc4[nH]3)ON2)cc1 587075638 FYVBUBVMLPUNSN-QFIPXVFZSA-N 403.869 5.412 0 1 HKAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587080008 MMJVVOIMPCAJDR-ZDUSSCGKSA-N 410.852 5.552 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3cc(Cl)nc4ccccc34)nc2c1 587085664 ZWNSRHPSNLUDSB-UHFFFAOYSA-N 415.724 6.469 0 1 HKAF CC(=O)N1C[C@H]2Cc3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)-c3cccc1c32 587096014 BIJMLVSBIHFLQP-MRXNPFEDSA-N 416.480 5.428 0 1 HKAF C[C@@H](Oc1ccc(Cl)cc1Cl)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104528 SWSQRICNBVOJLL-CYBMUJFWSA-N 420.295 6.893 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1c(Cl)cc(Cl)nc1CC3 587104733 WRHQHLMQVKSTQZ-UHFFFAOYSA-N 403.268 5.914 0 1 HKAF FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4nc(Cl)ccc4[nH]3)n2n1 587120138 TVNMUUYPSRDRTO-UHFFFAOYSA-N 414.778 5.007 0 1 HKAF Cc1ccc2c(ccc3nc(-c4ccc(-c5cc(C(=O)O)ccc5F)cc4F)[nH]c32)n1 587138467 JWUOQSKBTCXPRT-UHFFFAOYSA-N 415.399 5.730 0 1 HKAF Fc1cc(Cc2nc3cc(Cl)cc(Br)c3[nH]2)ccc1-c1ccccc1 587145249 JMSGJZOEQYVFLA-UHFFFAOYSA-N 415.693 6.376 0 1 HKAF Oc1c(Br)ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 587159243 NYKSBWSTEHGYBE-UHFFFAOYSA-N 423.245 5.176 0 1 HKAF COc1cc(OC)c2[nH]c([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc2c1 587159837 VOVFKTCIDKSEAR-NRFANRHFSA-N 412.848 5.541 0 1 HKAF Cc1cccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 587178757 KNVSJRINSLGCAS-UHFFFAOYSA-N 402.157 5.162 0 1 HKAF CC(C)(C)c1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357860 WASBINJHZUBKRK-BVAGGSTKSA-N 404.481 6.103 0 1 HKAF CCOC(=O)C[C@H]1CCCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587361815 BTVAYJNVGGOVIU-QGZVFWFLSA-N 415.489 6.030 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(OC)cc2CCC3)c1 587363054 PBTJQURQAMCBOT-UHFFFAOYSA-N 421.496 6.821 0 1 HKAF COc1cc2c3c(c1)O[C@@]1(CCCc4nc(-c5ccc(C)cc5)sc41)[C@@H](C2)C3=O 587449656 CDPFLDHWCLJERJ-XDHUDOTRSA-N 403.503 5.106 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(CN3CCCCC3)c1)CC2=O 587475981 RTXOFIUBOKVJDV-DEOSSOPVSA-N 409.526 5.046 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1-c1cccc(C(=O)O)c1)CC2=O 587492718 YEWWGWHHSKPJTI-AREMUKBSSA-N 416.473 5.591 0 1 HKAF COc1c(Br)cc(Cl)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587499775 OSQLCDVBAGYPHH-GOSISDBHSA-N 421.718 5.696 0 1 HKAF COC(=O)c1ccc(OC(C)C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587523111 NMVRIHZTCISOFB-RUZDIDTESA-N 408.494 5.020 0 1 HKAF O=C1C[C@]2(CCCc3ccc(Oc4ccccc4)cc32)Oc2c1ccc1c2CCCC1 587525930 UBDAMVUMSUMZGA-NDEPHWFRSA-N 410.513 6.555 0 1 HKAF COc1c(Cl)cc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543565 KYNXSFBTLRADSL-LAUBAEHRSA-N 417.244 5.411 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(C(F)(F)F)c1 587549101 PXOMBQLARQQRKO-PXNSSMCTSA-N 404.315 5.253 0 1 HKAF Cc1ccc(OC(F)F)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587555391 KTUUKNDPTOGEQN-CVDCTZTESA-N 412.388 5.179 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2F)o1 587568064 KQSHGBYSXGANJD-QPPBQGQZSA-N 402.377 5.494 0 1 HKAF Cc1cc(Cl)cc2c([C@@H](C)CC(=O)O)c(-c3ccc(Br)cc3)[nH]c12 587623488 IHXOWSPCDQGSEI-JTQLQIEISA-N 406.707 6.137 0 1 HKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1c(Cl)cc(Cl)cc1Cl 587656868 KGMHIYYTUONBSM-UHFFFAOYSA-N 419.670 6.152 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)c(Cl)cc2F)N1 587720478 RSCRDCJNOOJFNS-WNWIJWBNSA-N 404.657 5.318 0 1 HKAF Cc1cc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(-n2cccn2)c1 587762351 XSCPJKAXDRCSPN-SZNDQCEHSA-N 414.322 5.014 0 1 HKAF CCOc1ccc(OCC)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587801558 LRGOTZOAIWMQIZ-LRTDBIEQSA-N 422.338 5.183 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OC2CCCC2)N1 587813354 VFVQJMOFVYZNOO-ZSEKCTLFSA-N 404.323 5.533 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3ccccc3)c2)N1 587816499 YYORQQASNWTFJL-CMJOXMDJSA-N 410.330 6.053 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/[C@@H]2C(C)(C)CC[C@@H]3O[C@]32C)N1 587837218 DPEHASUWZCSFOX-ZVMFNIEUSA-N 422.382 5.488 0 1 HKAF Cc1ccccc1-c1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 587851241 HVIHCBBPDLGPBU-CWTRNNRKSA-N 417.347 5.644 0 1 HKAF Cc1nc(-c2ccccc2)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587856072 XUDHFRWVGHELET-WYRIXSBYSA-N 417.347 5.644 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(C)cc1 587858383 HJIRGZMIRHJXGF-UHFFFAOYSA-N 405.281 5.283 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C)c2cccc(C)c2n1 587860283 QBHNIZPIOLUQCW-UHFFFAOYSA-N 412.320 6.410 0 1 HKAF Clc1ccc(C2=NN(c3ccc(-c4ccccc4)nn3)[C@H](c3ccccc3)C2)cc1 653713239 KNLHUHNSQPUSBA-DEOSSOPVSA-N 410.908 6.153 0 1 HKAF COc1cc2c(cc1OC)[C@@](c1cccc(Cl)c1)(c1cc(C)ccn1)N(C)[C@@H](C)C2 962570852 OAGKJBMTWAGPFF-GKVSMKOHSA-N 422.956 5.229 0 1 HKAF COc1ccc2c(c1OC)[C@](c1cccc(C(F)(F)F)c1)(C(C)C)N(C)[C@@H](C)C2 962640556 WVUPHVCPFPEKMG-OYHNWAKOSA-N 407.476 5.499 0 1 HKAF Cc1ccc(SC(C)(C)[C@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962670309 QINPUDWWDZYYOA-PXDATVDWSA-N 420.578 5.254 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccccc2)(c2ccc(OC)cc2Cl)N1 962938858 ABKXRNSJVVFZFB-WXTAPIANSA-N 416.952 6.046 0 1 HKAF C[C@@]1([C@@H]2C[C@H]2c2cccs2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962953212 IERAYFXYJPSMEA-WRWLIDTKSA-N 407.501 5.437 0 1 HKAF COc1ccc(C(F)(F)F)cc1[C@H]1c2ccsc2CCN1Cc1cccnc1 962999497 RWFCPAUUZJSPER-HXUWFJFHSA-N 404.457 5.318 0 1 HKAF O=C1CC(c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)=Nc2cscc2N1 1857642406 PVJLHHSDKSLWSX-UHFFFAOYSA-N 410.886 5.509 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@H](CO)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356575853 DIHBDVABCMVSNH-WRSQSJERSA-N 414.718 7.738 0 1 HKAF C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@H]3CC[C@@H]3C(C)(C)[C@H](O)CC[C@]34C)[C@H]12 2356611660 FECFVGBVIVEEFA-LKDCYQBMSA-N 412.702 7.635 0 1 HKAF CCCCC[C@H](O)C[C@H](CCc1ccc(O)c2c1C=C[C@@H]1CCC[C@H]1O2)OC(C)=O 2356656664 XEKQHUBPILNRDJ-IBPRQYQWSA-N 416.558 5.162 0 1 HKAF N[C@H](Cc1ccc(Cl)cc1)c1csc(Nc2ccc(-c3ccccc3)nn2)n1 61906546 KBEXEGFUBSBHJH-QGZVFWFLSA-N 407.930 5.240 0 3 HKAF COc1cc(Cc2nc3ccccc3n2[C@@H](C)c2nc3ccccc3[nH]2)cc(OC)c1 95605696 FINVWVCANUEILL-INIZCTEOSA-N 412.493 5.130 0 3 HKAF COc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)NCc1ccccc1 774851 WQRZFIURFBFTOM-UHFFFAOYSA-N 418.880 5.601 0 1 HKAF CC1(C)CC[C@]2(C)CC=C3[C@@](C)(CC[C@@H]4[C@@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]2C1 4104833 DBCAVZSSFGIHQZ-VCDHHFDQSA-N 424.713 8.377 0 1 HKAF Cc1ccc(Nc2ncc(C(=O)NCc3ccccn3)c3ccccc23)cc1Cl 4192644 PMZVVKAFCXIZCA-UHFFFAOYSA-N 402.885 5.265 0 1 HKAF CC[C@H](C)Oc1cc2ncnc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OC 13490846 KQEHXCRMWRBQOF-AWEZNQCLSA-N 420.538 5.991 0 1 HKAF O=C1[C@H](c2ccccc2)N(c2ccc(Cl)cc2)C(=S)N1c1ccc(Cl)cc1 13680166 AECDUWIGGSTJHF-IBGZPJMESA-N 413.329 5.873 0 1 HKAF COc1c2c(cc3c1[C@@H]1Oc4c(ccc5c4C=CC(C)(C)O5)[C@@H]1CO3)OC(C)(C)C=C2 15251895 GYTBWEWXRFODTH-BXKMTCNYSA-N 418.489 5.673 0 1 HKAF biogenic N=C1C[C@H](c2cccc(C(F)(F)F)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O 27095536 SWYMQPLCNZXJBJ-NSHDSACASA-N 406.791 5.009 0 1 HKAF CCC(CC)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)OC3CCCCC3)CN(C)[C@H]1C2 27518701 SKNWFEHTHVXKSX-NIDLKEISSA-N 422.613 5.838 0 1 HKAF CN1C[C@H](C(=O)NC2CCCCC2)C[C@@H]2c3cccc4c3c(cn4C3CCCC3)C[C@H]21 27724432 HJSXJNSRSBNBPG-RZPHLTDDSA-N 419.613 5.165 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CCN[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@H]1CC3 27990545 FXYWZSZQPOXFIV-MZPLJAFYSA-N 415.706 6.875 0 1 HKAF CCOc1ccc(-n2c(C)c3c(C)nnc(N[C@H]4CCc5ccccc54)c3c2C)cc1 28569194 JOMIPJZFYFZAAL-QHCPKHFHSA-N 412.537 5.844 0 1 HKAF CC[C@](O)(c1cn(Cc2ccc3c(-c4ccccc4)csc3c2)nn1)C(F)(F)F 34986858 OAPVSBAGXAEPFZ-FQEVSTJZSA-N 417.456 5.368 0 1 HKAF COc1cc(NC(=O)c2ccc(C3CCCCC3)cc2)ccc1OC[C@H]1CCCN1C 40764277 PPLBSYFHUWWKBI-HSZRJFAPSA-N 422.569 5.468 0 1 HKAF O=C(NCC1CCOCC1)c1cnc(Nc2cc(Cl)cc(Cl)c2)cc1C1CC1 40919262 RRQKYBRIIQLPRA-UHFFFAOYSA-N 420.340 5.166 0 1 HKAF COC1CC(NC(=O)[C@@H]2CCC[C@H]2c2cc(-c3ccccc3)on2)(c2ccccc2)C1 45245884 GPJAFLZEAIHOLH-OLJONYEBSA-N 416.521 5.046 0 1 HKAF C[C@H]1CN(CCc2ccccc2)CC[C@H]1N(C(=O)c1ccco1)c1ccccc1F 58682783 HDPMDSHVUZALEU-SIKLNZKXSA-N 406.501 5.019 0 1 HKAF Cc1cccc(-c2ccccc2)c1Nc1nc(O)nc(OCc2ccc3occc3c2)n1 64513071 PANYHIQXDIORCM-UHFFFAOYSA-N 424.460 5.621 0 1 HKAF CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccc(F)cc1F)c1ccccc1 72180515 HIBYGOLVUNXQLA-OAQYLSRUSA-N 405.448 5.244 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CCCC4(C)C)[C@H]3C(=O)C[C@]12C 72946418 MQKIXGKQVTWMES-DQHXPEKOSA-N 410.686 8.153 0 1 HKAF CCCCCn1c(C2CCCCC2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188299 QRNYVMJLUZYMRZ-IBGZPJMESA-N 405.590 6.280 0 1 HKAF CCCN(C(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(N2CCNCC2)cc1 84596801 KASPOQKBLGLGBP-UHFFFAOYSA-N 423.944 5.066 0 1 HKAF NCCS[C@@](Cc1ccccc1)(c1ccc(Cl)cc1)c1cccc(Cl)c1 84709869 LEJZJCGXVRJLPC-QFIPXVFZSA-N 402.390 6.172 0 1 HKAF C[C@@]12CCC[C@@H]3C[C@@]([C@@H]4C[C@H](Cc5ccc(N)nc5)CC5(CCCC5)C4)(C[C@@H](N)[C@@H]31)O2 85543215 XVWCVNLEKPCASR-SLWIZVOASA-N 423.645 5.248 0 1 HKAF biogenic,in-vitro CCCCCCNC(=O)n1c2ccc(Cl)cc2c2ccc([C@H](C)C(=O)O)cc21 95555554 PVZJNIUPFPAOTA-AWEZNQCLSA-N 400.906 5.774 0 1 HKAF CC(C)(O)CCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 95576754 BMAJGBRGQRXEKG-WASVUAPXSA-N 418.662 5.619 0 1 HKAF Cc1nc2ccc(CNCc3ccccc3)cc2n2c(-c3ccccc3Cl)nnc12 95595137 LSOKSPALIMSVDM-UHFFFAOYSA-N 413.912 5.196 0 1 HKAF O=C1C[C@H](c2ccccc2)C(=O)N[C@H](c2ccccc2)C/C=C\C[C@H](c2ccccc2)N1 95664000 GPBYDCUKLUJVJM-ILRVCKQJSA-N 424.544 5.225 0 1 HKAF CO[C@@H](c1cc(C)no1)c1ccccc1COc1ncc(C(F)(F)F)cc1Cl 103183735 RFOVDOFZPFAXDD-QGZVFWFLSA-N 412.795 5.365 0 1 HKAF Cc1ccc2nc(-c3ccccc3N3C(=O)CS[C@H]3c3ccc(Cl)cc3)[nH]c2c1 103208319 DHYOZFYCPFVBGH-QHCPKHFHSA-N 419.937 5.970 0 1 HKAF O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1)c1ccc2ncccc2c1 116815159 CIWBOSXDTXNQJQ-UHFFFAOYSA-N 422.410 5.569 0 1 HKAF OC(Nc1cc(C(F)(F)F)cc(NC(O)=C2N=NN=N2)c1Cl)=C1N=NN=N1 140912659 PEZAVCDQLIUFRW-UHFFFAOYSA-N 402.684 5.218 0 1 HKAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1nc2cccc(C)c2n1C 169722380 ZWHUHGFRCGCKFH-PZJWPPBQSA-N 424.335 5.864 0 1 HKAF CCCCC[C@H](C)C/C=C\C/C=C\C/C=C/C/C=C\CC[C@@H](C)C(=O)NCCF 231934560 MHVQQJCJBNFDST-DTIGSAHASA-N 405.642 7.490 0 1 HKAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2CC[C@H](OC(=O)/C(C)=C/C)[C@H](C)[C@@]12C 238737873 GEPTVWUAPAVGBV-OXAVJLFDSA-N 414.542 5.625 0 1 HKAF C[C@H](CO)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255211462 FYHRJWMENCALJY-MGMOBZSTSA-N 402.663 6.361 0 1 HKAF Cc1ccc2ccccc2c1-c1nc2c(Br)ccc(Br)c2[nH]1 586884141 QCCLTJCXEQASFU-UHFFFAOYSA-N 416.116 6.217 0 1 HKAF FC(F)(F)c1cc(Br)cc2nc(CCc3cc4ccccc4o3)[nH]c12 586904317 URZVKYNCXJNDKU-UHFFFAOYSA-N 409.205 5.876 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(Br)c(F)c3)nc3ccc(O)c1c23 586986885 QJYQUAIEMYMLSL-UHFFFAOYSA-N 420.237 5.720 0 1 HKAF CCOc1cccc(OCC)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991339 JKZYRGDGTIAWSL-UHFFFAOYSA-N 411.457 5.616 0 1 HKAF Fc1cc(Cl)cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 586997855 FLAMHGUVYBNKIN-SOFGYWHQSA-N 417.665 6.548 0 1 HKAF CC(C)COc1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2cc1Br 587017027 RCYHOAUNKSODES-OAHLLOKOSA-N 422.348 5.335 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(Cl)cc(C)c3[nH]1)N2 587030436 DYNARTPXVQQVHH-LLUUXILJSA-N 418.975 5.652 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 587073395 HMKUUOKGGOCXSZ-MRXNPFEDSA-N 414.258 6.226 0 1 HKAF CC(=O)c1ccc2cccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c2n1 587096611 LZUJAVYAHPMMBW-UHFFFAOYSA-N 414.464 6.172 0 1 HKAF C[C@@H](C(=O)O)n1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c2ccccc21 587105215 STRHHNILJOJKNU-HNNXBMFYSA-N 418.452 5.714 0 1 HKAF CCCCCCc1ccc(O)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587207292 QRZZDUKSYBMVSY-UHFFFAOYSA-N 407.513 6.942 0 1 HKAF CCO[C@@H](C)c1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 587363681 SICCMIMSWZFGND-SFHVURJKSA-N 423.512 7.421 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1cccc(-c4ccc(Cl)cc4OC)c1)[C@@H](C2)C3=O 587422213 XLRQADVANSBFHS-NBGIEHNGSA-N 420.892 5.687 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccccc4)nc1-c1ccccc1)[C@@H](C2)C3=O 587433222 WPGUFEBREAFVLW-IDISGSTGSA-N 422.484 5.096 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(F)cc3)nc3ccccn13)CC2=O 587473216 YMNPSUVJLVZGKW-NRFANRHFSA-N 416.452 5.505 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(COc1ccc(-c3ccc(C)cc3)cc1)CC2=O 587481407 MBFHTWFDPXJXDA-MHZLTWQESA-N 416.517 6.123 0 1 HKAF O=C1C[C@H](c2ccnc3cc(Br)ccc23)Oc2c1ccc1c2CCCC1 587496534 HYCTXLUUGOXDON-OAQYLSRUSA-N 408.295 5.583 0 1 HKAF C[C@@]1(c2cc3cc(Cl)ccc3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552413 RGOYCKYRDHHCGA-REWPJTCUSA-N 406.821 5.669 0 1 HKAF C[C@]1(c2cccc(CCCCF)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555404 KVSDRNPUDQDYGZ-PXDATVDWSA-N 424.443 5.701 0 1 HKAF Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cccc1C(F)(F)F 587710973 IEYYQSFCQJFUBC-XYZCENFISA-N 402.229 5.539 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)nc2Cl)N1 587713294 MXQXCUJDALATQW-UOWDBTKRSA-N 423.635 5.279 0 1 HKAF CC(C)[C@]1(c2cccc(Cl)c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587725924 SXMHLYDNXMEMBM-JEOXALJRSA-N 414.721 5.815 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3cccc(F)c3)no2)N1 587727858 CCXZKIMRBUMEGO-OVWNDWIMSA-N 405.242 5.006 0 1 HKAF CC(C)Cn1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 587755990 IYFVNJILTLHHMP-RBZFPXEDSA-N 416.338 5.218 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)c2ccccc2n3C)N1 587760419 YNOLKYBGCDWIPD-NPMABZOXSA-N 423.329 5.857 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3ccncc3)c2)N1 587778904 OSFKKYNDUAJGFA-PEBXRYMYSA-N 411.318 5.448 0 1 HKAF CSc1ccc2c(c1)CCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587848796 XXRXUHZBAMHSMI-YUNKPMOVSA-N 406.364 5.424 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccnc2ccccc12 587859236 UBQQREYRKRHAEH-UHFFFAOYSA-N 412.276 5.492 0 1 HKAF CC/C(=C\c1nc2c(Br)ccc(Br)c2[nH]1)c1ccc(C)cc1 587967168 LXIKUAJYVSMHFV-ZRDIBKRKSA-N 420.148 6.347 0 1 HKAF c1ccc2c([C@@H]3CCC[C@@H](c4c[nH]c5ccccc45)c4c3[nH]c3ccccc43)c[nH]c2c1 653788013 JOOBMEYCWJHRAK-SFTDATJTSA-N 415.540 7.578 0 1 HKAF CN(Cc1ccc(CN(C)Cc2cccc(Cl)c2)nc1)Cc1cccc(Cl)c1 653837920 QNVOIBMUIYEMBW-UHFFFAOYSA-N 414.380 5.652 0 1 HKAF CC(C)c1ccc([C@@H]2CCCC[C@]23c2ccsc2CCN3Cc2ccco2)cc1 962705241 KQHWRVRSBZDUDQ-JYFHCDHNSA-N 405.607 7.076 0 1 HKAF Cc1sc2c(c1C)CCN[C@]2(c1ccccc1)c1ccc(CN2CC=CC2)cc1 963013873 SFRFWPOYEYTMJR-AREMUKBSSA-N 400.591 5.174 0 1 HKAF CC[C@H](C)[C@@H]1CCCC[C@]12N[C@@H](C(=O)O)Cc1ccc(Cl)c(C(F)(F)F)c12 963184360 RCYFCRDDODMVCX-SSCSGYHRSA-N 403.872 5.389 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1cnc(Nc2ccccc2)s1)C(C)(C)C 963222675 BQEPCWBDYIUXDP-BCHFMIIMSA-N 419.638 6.833 0 1 HKAF CCCCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(N)=O)cc1 1772617207 ZHJZIGWITVRSKZ-UHFFFAOYSA-N 411.549 5.973 0 1 HKAF CC1=C[C@H](CNC(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(C)cc2[nH]1 2356286727 NXFZGXMVFJTUSP-ZRBLBEILSA-N 415.581 5.698 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356435251 WEQPLVIAFBLKRQ-OIZZYXKQSA-N 416.690 6.894 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3c(cc(O)c(CC=C(C)CCC=C(C)C)c3O)O2)cc1 2356605591 LKAFYCSXBIOTDY-QHCPKHFHSA-N 422.521 6.048 0 1 HKAF CC(C)=CC[C@@]12CCN(C)[C@H]1Nc1c(Br)cc3cc(C(C)(C)O)oc3c12 2356664338 QVSZPENHGLTTAS-CTNGQTDRSA-N 419.363 5.104 0 1 HKAF COc1cc2c(c(OC)c1-c1c(O)cc(OC)c3c(OC)cccc13)C(C)=N[C@H](C)C2 2356720532 CLRLXEFRRVACNF-CYBMUJFWSA-N 421.493 5.000 0 1 HKAF CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)c(Br)cc2C(=O)O)cc1 66123388 LWAMRPSNUXYBFU-UHFFFAOYSA-N 410.695 5.351 0 3 HKAF Fc1cccc(Cc2c(-c3cccc(Br)c3)nc3ccc(Cl)cn23)c1 72135847 VVHWQKXPRDSQEJ-UHFFFAOYSA-N 415.693 6.147 0 3 HKAF O=C(c1ccccc1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 6579197 CGHMTSVQIAJUTD-WUFINQPMSA-N 424.588 5.422 0 1 HKAF NCCCNc1nc(F)c(Cl)c(C2c3ccccc3Sc3ccccc32)c1F 14956530 WOJJEUPOWXPWHN-UHFFFAOYSA-N 417.912 5.419 0 1 HKAF CCCCCN[C@@H](c1ccc(OC)cc1)[C@@H](NCCCCC)c1ccc(OC)cc1 27901840 SBSPVTRMYXNIFB-UIOOFZCWSA-N 412.618 6.046 0 1 HKAF CC(=O)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CC[C@H]1CC(=O)O 29055445 SVFUPOYIACPYGR-LBPRGKRZSA-N 417.889 5.750 0 1 HKAF CC(C)CCc1cc(NCc2ccccc2)nc(NCc2cccc3ccccc23)n1 40954889 DUEMZPIXBUNFKV-UHFFFAOYSA-N 410.565 6.443 0 1 HKAF CC(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)Nc1cccc(Cl)c1 42989650 PKOCCWJAIIMCNW-UHFFFAOYSA-N 401.796 5.463 0 1 HKAF Cc1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cn4)cc3)cn12 43078034 VFNRUOWKNHQHFU-UHFFFAOYSA-N 402.885 5.488 0 1 HKAF COc1ccccc1[C@H]1N=NC(C2=C(O)c3ccccc3C2=O)=C[C@H]1c1ccccc1 68582445 QQLADQBGQNDNSN-GBXCKJPGSA-N 408.457 6.035 0 1 HKAF biogenic O=C(NC[C@H]1CCCN(CCCc2ccccc2)C1)c1ccccc1-c1ccccc1 73197136 MMMOKQFLXYDLPR-XMMPIXPASA-N 412.577 5.428 0 1 HKAF CC[C@H](C)NC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc(F)cc1 82216452 KZBOXLJFKRTRFV-AWEZNQCLSA-N 412.896 5.077 0 1 HKAF CS(=O)(=O)c1ccc2c(c1)c(Cc1ccc(F)cc1)cn2/C=C\CC(F)(F)F 84730067 YYYLTZVVRSBSCR-SGAXSIHGSA-N 411.420 5.198 0 1 HKAF O=C(O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(-c2ccc(F)cc2)n1 95590121 JKILHCDSIIJEOJ-UHFFFAOYSA-N 416.452 5.589 0 1 HKAF c1ccc(-n2cc(COc3ccc(-c4nc5c(ccc6ccccc65)o4)cc3)nn2)cc1 96929664 BLJDQJWGMYLFMQ-UHFFFAOYSA-N 418.456 5.808 0 1 HKAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1ccc2oc3ccccc3c2c1 103258948 PEAXRVOYMYUBCP-JXFKEZNVSA-N 415.489 5.713 0 1 HKAF COc1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)cc1O 104003050 JTIQLKQNUPPFNZ-HFJWLAOPSA-N 412.489 6.030 0 1 HKAF c1cc(-c2cnc3[nH]c4cnc(-c5cnoc5)cc4c3c2)ccc1CN1CCCCC1 139388958 OLGDXFNGTFBOPC-UHFFFAOYSA-N 409.493 5.419 0 1 HKAF Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc3[nH]ccc3c2)n1 141804090 IFPFXLXRRKNPTC-MRXNPFEDSA-N 408.509 5.507 0 1 HKAF O=C(c1ccc(Oc2ncccc2-c2cccnc2F)cc1)c1nc2ccccc2[nH]1 148303750 VCIKAYPSCGIWBO-UHFFFAOYSA-N 410.408 5.182 0 1 HKAF CC(C)Oc1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 167710166 GBBNBCMZMHYUFV-UHFFFAOYSA-N 402.483 5.160 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)Nc1ccc(CO)cc1 195057133 HEAYIJDVUJVRRR-AVHBIOJASA-N 409.614 7.263 0 1 HKAF CC(C)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 202711564 OWSDAXGYLIGOSW-NRFANRHFSA-N 402.498 5.048 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1CC3 255262290 RFSQQROZMSPZKI-IJLCGCHOSA-N 400.691 7.779 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](CO)[C@@H]1CC3 261498595 UPEGTKGKNWDIAN-ALPSUIDXSA-N 416.690 6.751 0 1 HKAF endogenous,in-man O=C(O)CCCc1c(-c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991388 URJQODFGSVFAMA-UHFFFAOYSA-N 409.441 5.226 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4[nH]c(-c5cc6c(s5)CCC6)nc4c3)o2)cc1 587037480 VTQSWPGXOPHGTP-UHFFFAOYSA-N 414.490 5.506 0 1 HKAF COC(=O)c1cc2nc(CCc3ccccc3Cl)[nH]c2c(F)c1Nc1ccccc1 587059763 VOAPUSPCRUMOLI-UHFFFAOYSA-N 423.875 5.671 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1 587071338 KEPNPJFWWGEQLA-ISXUQSKVSA-N 419.283 6.073 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(F)c(F)cc2[nH]1)c1cccc(Cl)c1 587072467 XXPGJBAQLAQRIL-OAHLLOKOSA-N 407.848 5.303 0 1 HKAF FC(F)(F)Oc1cc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2cc1Cl 587076761 NFALTEJNAIIYOQ-UHFFFAOYSA-N 424.209 6.497 0 1 HKAF COC(C)(Cc1ccccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)OC 587105673 DNFPHURQGVVNBL-UHFFFAOYSA-N 409.485 5.665 0 1 HKAF CC[C@@H](Oc1ccccc1F)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587155583 MNQUUFHPIAOHCP-QGZVFWFLSA-N 421.310 6.029 0 1 HKAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc(C(C)(C)C)ccc2[nH]1 587180724 KGNJKKFPVVJCOS-LLVKDONJSA-N 422.314 5.300 0 1 HKAF CCc1ccccc1NC(=O)c1nc2c(Br)cc(C(F)(F)F)cc2[nH]1 587240624 GQBZGBOGRFPHSV-UHFFFAOYSA-N 412.209 5.159 0 1 HKAF C[C@@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330639 OJKNWYXZOPPULM-UNMCSNQZSA-N 416.370 5.824 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1OCc1ccccc1)CC2=O 587484134 YENPAKLJKNXWGV-DEOSSOPVSA-N 418.489 5.639 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCC)(c1ccc3c(c1)nc(S)n3CC)CC2=O 587488978 ACVSOHORYQREBD-XMMPIXPASA-N 424.566 5.664 0 1 HKAF CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1OC(C)=O 587499343 SHKFSJZUVITITR-HXUWFJFHSA-N 414.885 5.249 0 1 HKAF COc1cccc(-c2nc3ccccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587515156 LHLXVCJFNNBTAJ-QHCPKHFHSA-N 424.500 5.595 0 1 HKAF Cc1ccc([C@@]2(c3c(N)sc(C)c3C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531418 KBRHKDOXWSFDSK-AREMUKBSSA-N 417.574 6.043 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)c(Cl)c1 587549099 PXAAGWKAVDGCMI-YLJYHZDGSA-N 420.770 5.767 0 1 HKAF C[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550680 WACVPMFTNDSNML-GHTZIAJQSA-N 400.352 5.288 0 1 HKAF Cc1cc(C)cc([C@@]2(c3cccnc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587586953 MFBMXNKWWMGTRW-SHQCIBLASA-N 423.468 5.309 0 1 HKAF CC[C@]1(c2ccccc2C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587711006 IOIMAPHVCLVCPX-ADLMAVQZSA-N 416.256 5.795 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1OC(F)F 587719853 RKIGHOGSEKYBLU-GTNSWQLSSA-N 414.265 5.430 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(F)c3)cc2)N1 587728875 GAPAZICXMIBFFA-MCMMXHMISA-N 414.293 6.018 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccc(F)cc3)n2)N1 587736755 UDKCMUDDUATJJV-LAJNKCICSA-N 415.281 5.413 0 1 HKAF COc1ccc([C@]2(C(C)(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587805035 CWOMQODZFPDDCO-ASSNKEHSSA-N 406.339 5.421 0 1 HKAF CCC[C@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 587807435 XBOXOSNZGSHVGS-ZSEKCTLFSA-N 401.323 5.647 0 1 HKAF CCCCCCc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587815254 LJJARHXELMYJCX-QMHKHESXSA-N 418.394 6.509 0 1 HKAF Cc1cc(Br)sc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587843671 JMHWWNQBGPVBEJ-RMLUDKJBSA-N 419.157 5.344 0 1 HKAF Cc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)s1 587844508 BKYGNNVIYJWVCU-GIGQVBGESA-N 422.388 6.310 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(CN3CCCC3)cs2)N1 587847300 KGEOCVWXXQTJED-XCLFUZPHSA-N 423.395 5.043 0 1 HKAF COc1ccc2c(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)cc(C)nc2c1 587862961 NCVKHEYYNADAKY-UHFFFAOYSA-N 413.399 5.432 0 1 HKAF COc1ccc(-c2cccc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c2)cc1 587934554 CSHWHFMFESCBFY-UHFFFAOYSA-N 406.489 5.737 0 1 HKAF CC[C@H](C)OCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc21 653808775 WPVFPWQKXIMKSR-KRWDZBQOSA-N 410.514 5.222 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1cc2ccc(N(CC)CC)cc2oc1=O 963222464 BKPKRRDMPYUIOE-WINIVTDRSA-N 418.581 5.559 0 1 HKAF CN1CCc2c(Br)cccc2[C@@]12CC(=O)C[C@H](c1ccc(Cl)cc1)C2 963282852 YUEHOIBLHSHMAE-YCRPNKLZSA-N 418.762 5.323 0 1 HKAF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(C)C(C)(C)C)nc(Cl)nc21 963928149 JHHIIQGWGJMHBO-JOCHJYFZSA-N 413.953 5.090 0 1 HKAF Fc1ccc(C2=NN(c3cccc(Cl)c3)[C@H](c3cccc(Cl)c3Cl)C2)cc1 1772606563 PKACGQSIJVNFML-FQEVSTJZSA-N 419.714 7.142 0 1 HKAF CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc4c(c3O)C=CC(C)(C)O4)coc12 1772628038 ZSTRRWVHDYLJGL-UHFFFAOYSA-N 420.461 5.270 0 1 HKAF Oc1cccc(-c2cc(-c3cccc(C(F)(F)F)c3)nc3c2Cc2cccc(O)c2-3)c1 1857572322 KRZYNRYYQSRIMK-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF Cn1cc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2cccnc2Cl)c2ccccc21 1857649448 YKGQTBQMTWXEFZ-QFIPXVFZSA-N 414.896 5.218 0 1 HKAF Cc1cc(O)c(C)c2c1CC[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2 2356387639 BXFFLLUMZSVWOY-VPYPWEPUSA-N 416.690 8.532 0 1 HKAF C[C@H](C(=O)C1=NC[C@H](C)C1)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356390849 FLJSFXUJSLIIFB-AEZMNKBTSA-N 413.646 5.692 0 1 HKAF C=C=C(CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356746588 FNCTWJAIYWHSQR-XAPRCGGASA-N 410.686 7.710 0 1 HKAF COc1ccc(CN(CCc2c[nH]c3ccccc23)Cc2ccc(OC)cc2)cc1 1859767 WJVMMRROWJDULS-UHFFFAOYSA-N 400.522 5.430 0 3 HKAF Brc1ccc(-c2noc3c2-c2nc(C4CCCCC4)sc2CC3)cc1 12477238 MOJCNSOJOYGQOZ-UHFFFAOYSA-N 415.356 6.374 0 3 HKAF COc1cc2c(c(OC)c1-c1c(C)cc(O)c3c(OC)cccc13)[C@H](C)N[C@@H](C)C2 13359062 YTAPXHUNYHTRNM-GJZGRUSLSA-N 407.510 5.142 0 1 HKAF biogenic Cc1cc2c3c(n1)c(-c1ccc(Cl)cc1Cl)nn3CCN2C1CCCCC1 13672726 YVDHAPQBQNWZAJ-UHFFFAOYSA-N 401.341 5.866 0 1 HKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(C(=O)OC)cc1-2 13813990 WLHJLEXNCPIFTG-UHFFFAOYSA-N 410.554 6.721 0 1 HKAF CC(C)=CCc1cc2c(cc1O)OC[C@H](c1cc(CC=C(C)C)c(O)cc1O)C2=O 14780897 BAIKLEGWKHNKLT-HXUWFJFHSA-N 408.494 5.180 0 1 HKAF biogenic CCCN1C[C@H](C(=O)OC2CCCCC2)C[C@H]2c3cccc4c3c(cn4C(C)C)C[C@@H]21 27519731 DMUHENPSSYBMDZ-PBXXJUDPSA-N 422.613 5.838 0 1 HKAF CCN(C)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 28129158 GYLVAPJVMFKONR-UHFFFAOYSA-N 404.297 5.665 0 1 HKAF OC1(c2ccccc2)CCN([C@@H](c2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 28708190 GTMJMDBNWVOYOR-QHCPKHFHSA-N 411.467 5.778 0 1 HKAF CN(C)C12C[C@H](OC(=O)C(C)(C)C)C([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 28863144 QTJGCUCNGLCPFR-SFZYTAAKSA-N 405.582 5.626 0 1 HKAF O=C(O)c1ccc(-c2cccc3c(C(=O)O)c(O)c(-c4ccc(Cl)cc4)nc23)cc1 35086869 QUPGYHDGQKKHHR-UHFFFAOYSA-N 419.820 5.324 0 1 HKAF Nc1nccn2c(C3CCCCCC3)nc(-c3cccc(OCc4ccccc4)c3)c12 53188569 PVUWNXVKLDUDMH-UHFFFAOYSA-N 412.537 5.995 0 1 HKAF COc1ccc(CNc2cncc(Oc3ccc(NCc4ccccc4)cc3)n2)cc1 82068756 NPSJHLZSDKDLPB-UHFFFAOYSA-N 412.493 5.502 0 1 HKAF Cc1ccc(CCNc2ncc(C(=O)NCc3ccccc3)c(-c3ccccc3)n2)cc1 82133633 JTKFCWNIXSIMEE-UHFFFAOYSA-N 422.532 5.037 0 1 HKAF CC(=O)c1c(Nc2ccccc2Cl)nc2c(C(F)(F)F)cc(Cl)cc2c1O 84605178 STIKJXYUKGKOLE-UHFFFAOYSA-N 415.198 6.212 0 1 HKAF Clc1ccc([C@H]2C[C@@H]3CC[C@H](S3)[C@@H]2c2cc(-c3ccccc3)no2)cc1Cl 101388974 KWPJGSRDVFKINU-KFVVBQDRSA-N 416.373 7.184 0 1 HKAF Cc1ccc(OCc2ccccc2-c2nc(COc3ccc(Cl)cc3)cs2)cc1 103198587 BDNOISNLVIJANV-UHFFFAOYSA-N 421.949 6.930 0 1 HKAF CCN(CC)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(S)nc(O)c32)cc1 103909883 RFPLFBFJXAXPBK-QGZVFWFLSA-N 424.570 5.167 0 1 HKAF C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CN2 118913860 KWVISVAMQJWJSZ-WGVCLDRHSA-N 413.646 5.287 0 1 HKAF endogenous,in-man C[C@H](C1=NC[C@H](C)CC1)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118917262 QAGPPGDCPAPQLW-AFZGGYELSA-N 413.646 5.692 0 1 HKAF CC(C)(O)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@@]23C)O1 137274493 WLAIEIMDXUAGPY-LGMOUBFGSA-N 421.625 6.133 0 1 HKAF Cc1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)C[C@H](N)C3)n2)c1 140302982 SBJPEYLIYCCZOA-KSZLIROESA-N 418.516 5.074 0 1 HKAF Cc1cc(O)cc2c1O[C@]1(C)CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@H]1C2 140626313 LRMHPGVONLYGQD-LQAZUCIASA-N 412.614 6.024 0 1 HKAF CCN(C)C[C@H](C)c1ccc(-c2c(O)cc(C)c3[nH]c(=O)c4sccc4c23)cc1 164921476 VUEWLORAHCWFHP-HNNXBMFYSA-N 406.551 5.479 0 1 HKAF C[C@H]1C(=O)CC[C@H]2C3=CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]12C 238761052 CZZYEKKWCKOISE-XIRWSGFSSA-N 410.686 7.987 0 1 HKAF C/C=C(/CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C)C(C)C 257380053 ARTLJRSXUMKHFS-LNZWUERZSA-N 412.702 8.233 0 1 HKAF endogenous,in-man O=C(O)[C@H]1CC[C@H](CNc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)CC1 299819798 CEFWEMCITHXFEL-RUCARUNLSA-N 421.928 5.767 0 1 HKAF CCOC(=O)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)C(C)(C)CC(C)(C)S3)cc1 299864997 SKHSWCZAKJSXIN-NTEUORMPSA-N 423.578 6.067 0 1 HKAF CCCCCCN=c1ccn(-c2ccccc2)c2c(-c3ccccc3)cc(OC)cc12 377422272 GZODPIUSPYJDEQ-UHFFFAOYSA-N 410.561 6.787 0 1 HKAF COc1cc(/C=C/c2nc3ccc(Oc4ccccc4)cc3[nH]2)ccc1Br 586977914 VJOZISCGGYNPMH-XYOKQWHBSA-N 421.294 6.297 0 1 HKAF Cc1nc2ccc(O)c3c2c(c1Cc1ccc(Cl)c(Cl)c1)-c1ccccc1C3=O 586984682 ANBRIPUDIWOKHG-UHFFFAOYSA-N 420.295 6.358 0 1 HKAF Cc1ccc2c3c(cc(Cc4cccc(Br)c4)nc13)-c1ccccc1C2=O 586993784 OUHMTHGEJBZWRO-UHFFFAOYSA-N 414.302 6.108 0 1 HKAF Cc1ccc2c3c(cc(CC(=O)NCCCc4ccccc4)nc13)-c1ccccc1C2=O 586995899 KHTAYWCJTZYHQM-UHFFFAOYSA-N 420.512 5.046 0 1 HKAF FC(F)(F)c1cc(Br)cc2nc([C@@H]3SCCc4sccc43)[nH]c12 587036612 HOLSIFAARLDTCW-CYBMUJFWSA-N 419.291 5.784 0 1 HKAF Fc1cc2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2cc1Br 587052180 YAIFVDQZWYBCGH-JGVFFNPUSA-N 400.078 6.042 0 1 HKAF Cc1c(Br)cnc2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c12 587064702 NHZLCUKESZYGCL-UHFFFAOYSA-N 418.678 5.521 0 1 HKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587068498 BUQAUOHEPVADIE-INIZCTEOSA-N 404.897 6.172 0 1 HKAF Fc1cc(Cl)cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587069177 HEHSBIHJJBHMKE-SFQUDFHCSA-N 411.307 7.182 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c(Cl)ccnc2[nH]1 587083496 XBMAVDGNQPCHLY-SREVYHEPSA-N 418.715 5.642 0 1 HKAF FC(F)(F)c1cc(Br)cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c12 587084157 ICUABCSSGYVKQQ-UHFFFAOYSA-N 416.628 5.473 0 1 HKAF COc1ccc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c(Cl)n1 587086421 JRRWRLWAHVZPEV-UHFFFAOYSA-N 410.699 5.084 0 1 HKAF Cc1c(Cl)ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12 587092810 ZCTXBWOZFPRZIU-UHFFFAOYSA-N 409.717 5.547 0 1 HKAF COc1ccc([C@@H]2CCCc3c2nc2cccc4c2c3-c2ccccc2C4=O)cc1F 587102577 ASTISFYFQROFKB-INIZCTEOSA-N 409.460 6.062 0 1 HKAF CCN(C(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1ccccc1C 587104942 XMWOJUANKWQXNF-UHFFFAOYSA-N 406.485 5.350 0 1 HKAF CC1(C)Cc2ccc(Cl)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587327630 HGDKDLONWVAGGT-RDGATRHJSA-N 422.883 6.021 0 1 HKAF C[C@@]1(c2ccc(OCCCF)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329100 CSJHFWRQMDNJEK-NOZRDPDXSA-N 424.443 5.544 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(F)ccc2CCC3)c1 587361378 ZBAJPYJYQXDKGG-UHFFFAOYSA-N 409.460 6.951 0 1 HKAF C/C(=C\[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)N(C)C 587376736 PYELJMWEIVWRMC-ZMDBSYECSA-N 423.509 5.313 0 1 HKAF COc1cc2c3c(c1)O[C@](Cc1ccccc1)(C14CC5CC(CC(C5)C1)C4)[C@@H](C2)C3=O 587445684 MMLHRAGUVKUDNW-OIMXXJGYSA-N 414.545 5.641 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(-c4cc(C)sc4C)[nH]c4ccccc14)[C@@H](C2)C3=O 587449712 CJVCAOCPAJYARS-AVRWGWEMSA-N 415.514 6.011 0 1 HKAF COc1cc(C)c(Cl)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541544 FNVCYVGUYZMRIQ-NFBKMPQASA-N 410.853 5.240 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc(F)cc1F 587566752 ASPYGCUYJWSUOW-ZJSXRUAMSA-N 419.383 5.164 0 1 HKAF CCc1ccc(-c2n[nH]cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587589018 MPBRQWKSBKTJCI-BWKNWUBXSA-N 412.445 5.048 0 1 HKAF Cc1cc(Cl)cc2c1OCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587694579 HGLOBVYWKIOHKP-NSPYISDASA-N 410.714 5.110 0 1 HKAF COc1cc(C)c(Cl)c(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587698748 ZXETUOCOWHPKPH-APBUJDDRSA-N 412.730 5.491 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)(F)F)nc2Cl)N1 587713293 MXQXCUJDALATQW-NXSYQRQQSA-N 423.635 5.279 0 1 HKAF CCC[C@H](CC1(c2nc3cccc(OC)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781080 DPBYCXPFNBCEPR-HXUWFJFHSA-N 420.553 5.933 0 1 HKAF CCCc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC 587802439 RYSWJSXENRVFFV-YEJXKQKISA-N 406.339 5.563 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3cccc4c3c2CC4)N1 587815537 NLVXCHCXYBTYOI-ZLOXQWCVSA-N 410.330 5.638 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1/C=C(/C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587816665 ZRPLXCFTMIBWOE-FTOCSSIBSA-N 420.410 6.666 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2sccc2Br)N1 587847416 XNQZOUMUOROMGT-AYVTZFPOSA-N 419.157 5.210 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cs2)N1 587848105 ZPLXHASRBAPLEP-AYVTZFPOSA-N 419.157 5.210 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1NCc1ccccc1Br 587942013 YAHKBXMDJLWYFI-HHXXYDBFSA-N 421.379 5.540 0 1 HKAF O=C(O)CCCCCCCCCCCCc1nc2cc(Cl)c(Cl)nc2[nH]1 587956662 JROAHIIVMWKRNV-UHFFFAOYSA-N 400.350 6.183 0 1 HKAF C[C@@H]1N(c2ccc(OC(C)(C)C(=O)O)cc2)C(=O)c2ccccc2N1c1ccccc1 653783690 KKIVKRGAMDDUSO-KRWDZBQOSA-N 416.477 5.073 0 1 HKAF Cc1c(F)ccc2c1[C@](C(=O)c1ccc(Cl)cc1)(c1ccc(Cl)cc1)NCC2 962304314 ZKPYSZXNHUHDES-QHCPKHFHSA-N 414.307 5.713 0 1 HKAF CCc1ccc(-c2ccc([C@H]3c4ccsc4CCN3Cc3cccn3C)o2)cc1 962396375 GKPXFWVUBZPAII-RUZDIDTESA-N 402.563 6.057 0 1 HKAF COc1cc2c(cc1OC)[C@H](c1nc3ccccc3n1CCC(C)C)N(C)[C@H](C)C2 962624855 LIOJJKHUKAGVFQ-MZNJEOGPSA-N 407.558 5.065 0 1 HKAF C[C@H](c1ccc(Cl)cc1)[C@]1(C)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962638523 LGZNYCHHIWRKLN-PQRODAJWSA-N 408.929 5.006 0 1 HKAF CCC(C)(C)[C@]1(c2ccc(SC)cc2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962641289 ZSHLEZLSYHPUFP-NSYGIPOTSA-N 413.627 5.982 0 1 HKAF C[C@@]1(c2csc(-c3ccccc3F)n2)c2ccsc2CCN1Cc1ccco1 962701702 DNRSOCMDGLVVHM-QFIPXVFZSA-N 410.539 5.926 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccccc2C)(c2cncc3ccccc23)N1 962946897 MFVVTOKMRSRYGA-ONOMSOESSA-N 417.556 6.241 0 1 HKAF CCCCOc1ccc([C@H]2c3ccsc3CCN2Cc2cccnc2)cc1OCC 963006200 IIOAFRAFOHNSBR-VWLOTQADSA-N 422.594 5.868 0 1 HKAF Fc1cccc2c1[C@]1(c3ccccc3-c3ccc(Br)cc31)N1CCC[C@@H]1C2 963109586 MFFLAGWBDUGGNY-MZNJEOGPSA-N 420.325 5.881 0 1 HKAF CCCCCCN1C[C@H](O)[C@@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccccc1 61923865 GMPZFDPIEMHNIC-DSITVLBTSA-N 422.548 5.014 0 3 HKAF OC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccc(F)cc2)CC1 95565769 GAABOABJYSKCPL-UHFFFAOYSA-N 419.540 5.243 0 3 HKAF CCCCC(C)(C)[C@@H](/C=C/[C@H]1[C@H](C)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)OC(C)=O 3803418 QJTQYLVQNAWNEB-RGVWXMIZSA-N 420.590 5.733 0 1 HKAF CCC[C@@H](C)C(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12 13489792 RGZYMEURWNTRHY-LLVKDONJSA-N 407.354 5.527 0 1 HKAF CC[C@@]1(c2ccc(COc3cccnc3)cc2)Oc2ccccc2-n2cccc2C1=O 13675351 FLQQONTUUBUFGJ-SANMLTNESA-N 410.473 5.332 0 1 HKAF CCCCN(CCCC)CCCOc1ccc(-c2cn3cccc(C)c3n2)cc1C 13819556 OYARGMHZFFWKLT-UHFFFAOYSA-N 407.602 6.289 0 1 HKAF CN1[C@H]2CC[C@@H]1[C@@H](c1nc(-c3ccc(Cl)cc3)no1)[C@@H](c1ccc(Cl)cc1)C2 13833076 WIOSJRNBAZNBKL-NMLBUPMWSA-N 414.336 5.777 0 1 HKAF Cc1cc2c(cc1O)CC[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2 14767689 PZZKGQBMBVYPGR-BERHBOFZSA-N 402.663 8.223 0 1 HKAF endogenous,in-man Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)N23)cc1 26772157 GSIRJUOXIVJFSV-NOZRDPDXSA-N 421.500 5.268 0 1 HKAF biogenic C=C/C(=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@H]1OC1(C)C)CC=C(C)C 27639778 IQVZGUNZGFTGLM-RPEVNGIYSA-N 424.713 9.592 0 1 HKAF C/C(=C\C(=O)O)c1cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3C)cccc2s1 29392432 INBOQKPWAJGLHM-FOWTUZBSSA-N 420.618 7.960 0 1 HKAF Cc1cc(-c2nc(-c3ccccc3OC(F)(F)F)no2)ccc1-c1cscc1C 59240653 CHOHQAFVJAVFKV-UHFFFAOYSA-N 416.424 6.648 0 1 HKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCOC[C@@H]1COC(C)(C)O1 59295938 FRTYVHDVOQZSFS-CXSMSNRLSA-N 412.699 7.620 0 1 HKAF biogenic CCOP(=O)(OCC)[C@@H](Cc1ccc(F)cc1)c1csc2ccc(F)cc12 84587595 RWLYTJLZPCIJNE-IBGZPJMESA-N 410.422 6.729 0 1 HKAF Oc1cccc(CNc2ccc3c(c2)C[C@@H]2[C@@H]4CCCC[C@]34CCN2CC2CC2)c1 84759195 VECQTGURHWEJHQ-VJGNERBWSA-N 402.582 5.473 0 1 HKAF COc1cc(CCC(=O)CC(=O)CCC[C@@H]2C=Cc3c(O)cccc3CC2)ccc1O 85627117 ULHYWYBEDKFDRM-SFHVURJKSA-N 422.521 5.013 0 1 HKAF biogenic,in-vitro CCCCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccncc1 100703693 XXKGOCPIKOSSNP-INIZCTEOSA-N 410.543 5.320 0 1 HKAF Cc1nc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(F)cc2)oc1C 105191766 SWXXMMLRXFSWGW-SMIBBHEZSA-N 420.532 6.037 0 1 HKAF CC(=O)N(c1cccc(C)n1)c1nc(-c2ccc(-c3ccnc(F)c3)cc2)cs1 142935209 VWMVBUYGQAZZJN-UHFFFAOYSA-N 404.470 5.399 0 1 HKAF O=C(O)c1ccc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cc1Cl 143343941 OVYFBOGJAJEUNV-HXUWFJFHSA-N 404.771 5.484 0 1 HKAF CCOC(=O)C1=C(c2ccsc2)N=C(C)[C@H](C(=O)OCC)[C@@H]1/C=C/c1ccccc1 169715029 RHMOBIXFXQSYNJ-ARZGSZHJSA-N 423.534 5.006 0 1 HKAF COc1cc2nc(-c3ccccc3)cc(NCCCN3CCCCC3)c2cc1OC 208043127 MSEMNHUVDFVXEE-UHFFFAOYSA-N 405.542 5.207 0 1 HKAF CC[C@@H](C)CCCCCCCCCCCCCCCCCCCCCCCCCO 222885749 DWEMLGYUYBDVCM-GDLZYMKVSA-N 424.798 10.387 0 1 HKAF in-vitro COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1O[C@@H]1C[C@H]2CC[C@H]1C2 253688593 AOGQPQXZFOWMDY-NVGCLXPQSA-N 407.297 5.217 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@@H]1[C@@H](O)C3 256543455 BHMYRYNHHQYGTN-HOVXQZRVSA-N 414.674 6.814 0 1 HKAF endogenous,in-man C1=Nc2ccc(cc2)N=Cc2ccc(cc2)OCc2cccc(n2)COc2ccc1cc2 299814326 DFJXVTZAJCINNC-UHFFFAOYSA-N 419.484 6.054 0 1 HKAF Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2ncc(C)o2)c1 299887041 YFKVLKKIHUQDQW-FRTACKCFSA-N 402.542 5.898 0 1 HKAF Cc1cc2nc(-c3ccc(-c4nnc(-c5ccc(Cl)cc5)o4)cc3)[nH]c2cc1C 473135456 QARUCYMTGWISJF-UHFFFAOYSA-N 400.869 6.217 0 1 HKAF O=C1c2ccccc2-c2cc(CCc3cccc(C(F)(F)F)c3)nc3ccc(O)c1c23 586985223 BHRFZWOKKKUBGX-UHFFFAOYSA-N 419.402 5.956 0 1 HKAF CC1(C)CC[C@@H]2O[C@]2(C)[C@H]1/C=C/c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992075 SGGVFQCVMVVBEL-SNJKNFMDSA-N 411.501 5.759 0 1 HKAF Cc1ccc2c(ccc3nc(/C=C\c4cc5c(cc4Br)OCO5)[nH]c32)n1 586998995 RJZAJOYDSWEHFS-CLTKARDFSA-N 408.255 5.081 0 1 HKAF Cc1ccc(-c2nc(-c3nc4ccc(Br)c(F)c4[nH]3)c(C)s2)cc1 587013457 OPYYLOHUBGETBR-UHFFFAOYSA-N 402.292 5.872 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(Br)c(F)c2[nH]1 587014133 GXKPWKLVNVRJHW-UHFFFAOYSA-N 422.710 6.217 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncc(Cl)c(Cl)c4[nH]3)c21 587032035 YAWFZJGZPBOKJK-SNVBAGLBSA-N 403.338 6.224 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(N4CCOCC4)c(F)c3)nc3cccc1c23 587104466 VPSBIFMLYXGXLM-UHFFFAOYSA-N 410.448 5.089 0 1 HKAF N=c1[nH]cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc-2[nH]1 587110812 COBZIPFNYNYWSB-UHFFFAOYSA-N 423.320 5.089 0 1 HKAF CCOc1cc(/C=C/c2nc3ccc(Br)c(C)c3[nH]2)ccc1OC(F)F 587130018 IYQSZXRKMMUHLC-WEVVVXLNSA-N 423.257 5.804 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(S)ccc5F)[nH]c4c3)o2)cc1 587142880 PAGSRKFNZWPYES-UHFFFAOYSA-N 418.453 5.383 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4cncc(Br)c4[nH]3)c(Cl)c2)cc1F 587145198 LDPWVBWRGKIYIN-UHFFFAOYSA-N 416.681 6.155 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(-c4ccccc4Cl)s3)nc3cccc1c23 587207232 DOJVQZWJZJHTBI-UHFFFAOYSA-N 423.924 7.495 0 1 HKAF O=C(c1ccc(Cl)cc1I)c1coc2ccc(Cl)cc12 587279502 WXONKRGOEFBFRX-UHFFFAOYSA-N 417.029 5.575 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H](c3cccnc3)C2)[C@@H]1c1ccc(F)cc1 587336187 JJQNTROEAACQIV-YRSQORNKSA-N 403.453 5.382 0 1 HKAF COc1cccc(-c2cc(-c3coc4ccc(OC)cc34)nc3c2oc2ccccc23)c1 587365210 DQKPJFCCPDSQHB-UHFFFAOYSA-N 421.452 7.078 0 1 HKAF C[C@]1(c2ccc3ncsc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587376617 XQGBOZLPAMMGCO-JTHBVZDNSA-N 405.450 5.415 0 1 HKAF COc1cc2c3c(c1)OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587421250 KYRZKTRYKJDCHB-IBGZPJMESA-N 411.284 5.693 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc(Br)c2C[C@@H]1C 587457923 DKVCGSVVTUXFEY-QKVFXAPYSA-N 401.300 5.160 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Cl)cc(OC(F)(F)F)c1)CC2=O 587464623 USEQTDJQGJATPV-LJQANCHMSA-N 414.807 5.777 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(=O)OC)cc3)o1)CC2=O 587475761 ACGYWZNQDNWBHE-QFIPXVFZSA-N 406.434 5.098 0 1 HKAF O=C(Oc1cccc2c1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 587524614 PFQXWBQHUUDWAI-NDEPHWFRSA-N 424.496 5.592 0 1 HKAF C[C@@]1(c2ccc3c(c2)Nc2ccccc2S3)CC(=O)c2ccc3c(c2O1)CCCC3 587537934 LWEGOTHFFUMMOS-SANMLTNESA-N 413.542 6.654 0 1 HKAF CC(C)Oc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587541627 GFVHCTVSFUTBSX-QPPBQGQZSA-N 424.880 5.710 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(OC(F)(F)F)c1 587553652 GFBZYITUQRWEOP-XLIONFOSSA-N 420.314 5.133 0 1 HKAF CC(C)(C)Oc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587595867 PEESWQGMYRTDNU-BWKNWUBXSA-N 404.462 5.447 0 1 HKAF Cc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603732 RFELUEIOTGDWHV-SQHAQQRYSA-N 408.453 5.606 0 1 HKAF CCc1cccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587604172 UYQQEKJWMPVSIQ-LEAFIULHSA-N 422.480 5.860 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ccc3ccncc23)N1 587699930 SZZAPKIPHAUONJ-OVWNDWIMSA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3cccc(Cl)c3)c2)N1 587700014 LFVMEYCXRLBCRU-WYRIXSBYSA-N 420.713 5.051 0 1 HKAF CCCCO/C=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587704949 KDLWUYZDEVFCAO-YQXYZFHTSA-N 410.249 5.210 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SC(F)F)cc2)N1 587713494 DGIOOCUWGGMNSJ-XXFAHNHDSA-N 402.279 5.527 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc(C(F)(F)F)c2)N1 587713687 UHFDMOOSFKZNEJ-ZKANADHPSA-N 422.647 5.884 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Cl)c2F)(C2CC2)N1 587725125 BLRYSMFNYKENEX-OVWNDWIMSA-N 412.705 5.569 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNc3cc4ccccc4cc32)N1 587789955 CFIMEIMCQBWRNB-MCMMXHMISA-N 411.318 5.335 0 1 HKAF COc1ccc([C@@]2(C(C)(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587805036 CWOMQODZFPDDCO-LRTDBIEQSA-N 406.339 5.421 0 1 HKAF Cc1ccccc1[C@@]1(c2cccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587847590 LPNPXBOBZWOQIM-QKKBWIMNSA-N 416.359 5.784 0 1 HKAF Oc1cc(-c2ccc(Cl)cc2)c(O)n1-c1cnc2cc(Br)ccc2c1 587941832 WRUWELIMJDWMGG-UHFFFAOYSA-N 415.674 5.520 0 1 HKAF Cc1cc(OCc2nnc(S[C@@H]3C=CCCC3)n2-c2cccnc2)ccc1C1CC1 621485615 BHMSXBKKZOUSML-OAQYLSRUSA-N 418.566 5.628 0 1 HKAF Clc1ccc(-n2ncc3c(Nc4nc5ccc(Cl)cc5s4)ncnc32)cc1 653771418 VJGRIOCWPDYUCQ-UHFFFAOYSA-N 413.293 5.476 0 1 HKAF CC(C)[C@]1(CCc2ccccc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962640386 QUZMVWVERRXLGM-LMSSTIIKSA-N 410.605 5.918 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OCc3ccccc3)cc2F)N1 962949285 LEYNRBNYCKINIK-CJAUYULYSA-N 400.497 5.900 0 1 HKAF C[C@]1(c2cccc(-c3cc(C(=O)O)ccc3F)c2)c2c(F)cccc2C[C@@H]2CCCN21 963118907 ZYGFROHXLSBIRI-FNZWTVRRSA-N 419.471 5.614 0 1 HKAF CSc1ccccc1[C@@]1(CCc2ccc(C)c(C)c2)NCCc2ccc(O)cc21 963340435 HHHLMXPJJVYXEN-AREMUKBSSA-N 403.591 5.753 0 1 HKAF CC(=O)Nc1ccsc1[C@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963830441 AQCCHEWEAULRNS-QHCPKHFHSA-N 417.534 5.002 0 1 HKAF CCc1cccc([C@@]2(C)c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)c1 963840850 CVNPYZCFSOSAKU-RLWLMLJZSA-N 423.553 5.457 0 1 HKAF COc1ccc(Cl)cc1-c1ccc(OC)c([C@H](CC(=O)O)c2ncc(C)s2)c1 1772606269 WYGHEYNTIKTYSO-KRWDZBQOSA-N 417.914 5.396 0 1 HKAF CCCCCCC(C)(C)c1cc2c(c3c1CCCO3)-c1nn(CC)cc1C(C)(C)O2 1857606924 BIWZCBFDUJMSGC-UHFFFAOYSA-N 410.602 6.771 0 1 HKAF CC1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](C)CC[C@]34C)[C@H]2[C@H]1C 2356525594 UQSMQZZYUKDRFU-ZVAJSYOOSA-N 424.757 9.300 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 2356705622 XCQNGBGTCUKMDI-JQUGOEOUSA-N 416.646 5.250 0 1 HKAF CC[C@@H](C)Sc1cc(-c2nc3ccccn3c2NC2CCCCC2)ccc1OC 36382297 JZPBOMXNTAMDMJ-QGZVFWFLSA-N 409.599 6.645 0 3 HKAF CC[C@@H](C)N(Cc1cn(CC)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 4913192 RSGSCYWAQINLIC-OAHLLOKOSA-N 418.368 6.801 0 1 HKAF COc1cc2cc[nH]c2cc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1 12356405 VEVRYAZMLSNPBA-UHFFFAOYSA-N 423.488 5.105 0 1 HKAF C[C@H](C[C@H](CO)C(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 14973013 SQMRHYMZFLEQKS-JGHQURMISA-N 418.662 5.332 0 1 HKAF COc1cc(O)c(C(=O)CCCCCCCCCCc2c(O)cccc2O)c(O)c1 15113883 JLRAGNLAEWIHBK-UHFFFAOYSA-N 416.514 5.454 0 1 HKAF biogenic,in-vitro CCO[P@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCCCCC1 26279199 LDEIQRSDRLBGDN-HHHXNRCGSA-N 414.511 6.569 0 1 HKAF Cc1cc(C)cc(-c2c(OCC[C@@H]3CCCN3C)c3ccc(Cl)cc3[nH]c2=O)c1 26579011 OCJOFYODEZCIDD-IBGZPJMESA-N 410.945 5.328 0 1 HKAF CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2ccccc2)[C@H](c2ccccc2)O1 28380535 CHAUTNUHONEVFB-GOTSBHOMSA-N 402.494 5.368 0 1 HKAF CSc1ccccc1Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)O)cc1 28522565 FWDIICNDBRKAIA-CYVLTUHYSA-N 405.475 5.056 0 1 HKAF COc1ccc2cc([C@@H](C)c3nnc4sc(Nc5ccc(F)cc5)nn34)ccc2c1 28823136 JEOOJKBAWGSLSI-CYBMUJFWSA-N 419.485 5.382 0 1 HKAF COc1cc(O)c(C(=O)[C@@H]2CC=C(C)[C@@H](CC=C(C)C)[C@H]2c2ccccc2)c(O)c1 28964658 CIQQYRZTKOGULG-PQNGQFLHSA-N 406.522 6.012 0 1 HKAF biogenic Clc1ccc(OC[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 33493823 HFPZVROVIKJAPZ-LBPRGKRZSA-N 416.135 6.360 0 1 HKAF CC(C)c1ccnc2c1c(Sc1ccc(Cl)cc1)c1n2CCC[C@@H]1CC(=O)O 40380046 RCUUGUXXIMFUAQ-CQSZACIVSA-N 414.958 6.316 0 1 HKAF COc1cccc(CCc2ccccc2OCCCN2CCc3ccccc3C2)c1 40937515 APPBBNWLWVQQTF-UHFFFAOYSA-N 401.550 5.308 0 1 HKAF CC1=Nc2ccc(Cl)cc2[C@@H](c2ccccc2)N1CCNC(=O)c1ccccc1 72125062 XDMNBOFNCLFESD-HSZRJFAPSA-N 403.913 5.225 0 1 HKAF CCCOCCCNc1ncc(-c2nc3ccccc3s2)c(-c2ccccc2)n1 82162476 LMJWBHFIGAWUNX-UHFFFAOYSA-N 404.539 5.649 0 1 HKAF CCCCC[C@@H]1C[C@H]2[C@@H](NC)CC[C@@]34C[C@]2(C1)[C@@H]3[C@@H](O)C[C@]1(C)CCC[C@@]4(O)C1 85547569 JEJWGRWLISTUJH-AXZYDQJLSA-N 403.651 5.043 0 1 HKAF biogenic,in-vitro CC(C)c1ccc(Sc2c[nH]c(=O)c(C(=O)NCCCc3ccccc3)c2)cc1 95593996 MJSIFIQSPXISHW-UHFFFAOYSA-N 406.551 5.012 0 1 HKAF Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(C4(CN)CC4)cc3)nnc2c1 96167694 MWQHNENACWWNBL-UHFFFAOYSA-N 409.537 5.351 0 1 HKAF O=C1/C(=C\c2ccc(Cl)cc2)c2ccccc2N1c1c(Cl)cccc1Cl 98083961 GSXPGKGYWGEYKO-VBKFSLOCSA-N 400.692 6.866 0 1 HKAF CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(N(C)C)cc2)C2=C(O)CCCC2=N1 103993351 MOTYBOMTJGZVRA-QHCPKHFHSA-N 408.542 5.437 0 1 HKAF CCc1cnc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2)s1 105189098 XRMBKORUOZPDCM-OQRYQMPQSA-N 418.610 6.312 0 1 HKAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=S)Nc1ccccc1 138579810 FSNKFVXVFJJADR-DOEKTCAHSA-N 420.666 6.807 0 1 HKAF FC1(F)Oc2cc(Cl)c(-c3ccc(NCc4ccccc4Cl)nc3)cc2O1 149807055 VBUOYDRHEOUCES-UHFFFAOYSA-N 409.219 5.989 0 1 HKAF CC[C@@H](C)CNC(=O)c1cncc(-c2cccc(CNCCCc3ccccc3)c2)c1 206766501 ZIABQEAGMLBOEY-OAQYLSRUSA-N 415.581 5.247 0 1 HKAF CC(C)N(Cc1cccc(-c2nccs2)c1)C(=O)Nc1cnc(C(C)(C)C)nc1 225111974 JFQSTEIZOLGXFO-UHFFFAOYSA-N 409.559 5.340 0 1 HKAF CCC(=O)O[C@H]1C=C(C(=O)OC)[C@H](CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@H]12 238768139 WNVLMFHRBFVUQZ-OEEHMVQOSA-N 402.531 5.096 0 1 HKAF Cc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccc(F)cc2)c(-c2ccsc2)c1 299818918 AUKIURKRHKWAMS-UHFFFAOYSA-N 420.469 5.090 0 1 HKAF CCCCNC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccccc1F 299878496 JELQPQNUDRRWPB-DCTVWTRXSA-N 424.564 5.295 0 1 HKAF Cc1oc2c(c1-c1nc3cc(OC(C)C)c(Br)cc3[nH]1)C(=O)CCC2 586903613 LUVYOBUJMQDRFV-UHFFFAOYSA-N 403.276 5.200 0 1 HKAF Cc1cc(Br)cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c12 586916206 WUQFUVBCFICSCW-UHFFFAOYSA-N 423.266 5.402 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2cc3c(cc2[nH]1)OCCCO3 586981595 QYSWLPPYROVQKS-UHFFFAOYSA-N 424.298 5.253 0 1 HKAF CCc1c([C@@H](C)NC(=O)OC(C)(C)C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586996052 MDSIHQRAVBDWRX-OAHLLOKOSA-N 416.521 5.903 0 1 HKAF Cc1nc(COc2cccc(-c3nc4cc(F)cc(Br)c4[nH]3)c2)cs1 587020312 NBTZHSYDVGEBJV-UHFFFAOYSA-N 418.291 5.475 0 1 HKAF Clc1cc(Br)c2[nH]c(-c3ccccc3OCc3cscn3)nc2c1 587029577 QNPAANQFZNXQBS-UHFFFAOYSA-N 420.719 5.681 0 1 HKAF Oc1ccc2scc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2c1 587032371 IPLWQSXATKVPDN-UHFFFAOYSA-N 413.218 5.932 0 1 HKAF Clc1ccccc1OCc1ccc(-c2nc3cnc(Br)cc3[nH]2)o1 587064680 MDPQJXNHWKRUOH-UHFFFAOYSA-N 404.651 5.213 0 1 HKAF Cc1c(Br)cc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2c1C 587074003 OZGYZLGTNZJIDE-UHFFFAOYSA-N 412.718 6.325 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cccc(Cl)c4[nH]3)c(Cl)cc12 587078061 GNIYHRHLEIPGOE-NSHDSACASA-N 417.292 6.069 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2c1 587079767 GUGPPBYQVWXNLW-CYBMUJFWSA-N 406.713 5.930 0 1 HKAF CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105742 GWVVGWMTUCWPLK-MOJGAOKDSA-N 412.489 5.027 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1 587120866 XSSPVMJULXABPQ-UHFFFAOYSA-N 424.304 5.222 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cncc(Br)c3[nH]2)cc1F 587149492 HLNQWHGLDRDRIL-SFHVURJKSA-N 416.225 5.167 0 1 HKAF Fc1ccc(-c2ccsc2-c2nc3c(Cl)cc(Br)cc3[nH]2)cc1 587164515 SUIIUNJRTFYRPF-UHFFFAOYSA-N 407.695 6.513 0 1 HKAF C[C@]1(c2ccc(C(F)(F)F)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327791 HMTHCYMYKWVFEE-TZIWHRDSSA-N 417.358 5.219 0 1 HKAF C[C@@H]1CCc2c(F)cccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587340027 WTARACGOYBMYNE-HVVPNVAPSA-N 406.428 5.507 0 1 HKAF COc1cccc(-c2c(CCOCc3ccccc3)cnc3c2oc2ccccc23)c1 587363249 QGGPAZCSINMOMM-UHFFFAOYSA-N 409.485 6.416 0 1 HKAF COc1cccc(Cn2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c3ccccc32)c1 587391944 URTSMJKKMIRBLT-VWLOTQADSA-N 412.489 5.295 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)[nH]c4cccc(Br)c14)[C@@H](C2)C3=O 587417726 PFYGDXUEPGAJPK-XTZNXHDOSA-N 418.674 5.081 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(Br)cc4)cc1)[C@@H](C2)C3=O 587418256 OCUYVNUPQKWUMA-WMZHIEFXSA-N 421.290 5.613 0 1 HKAF COc1cc2c3c(c1)O[C@@](CCSc1ccccc1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587430048 YVDGMDBMUGAWNK-OFVILXPXSA-N 420.505 5.660 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)CC2=O 587491064 TZXLIUZNVLURNS-JOCHJYFZSA-N 410.554 6.352 0 1 HKAF CN(C)/C=C/[C@@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587505816 LRXRGHYKOJXPDA-RGPPVUSESA-N 416.348 5.808 0 1 HKAF COc1cccc(COc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)c1 587522977 JOUDEOVCYBYETF-SANMLTNESA-N 414.501 5.860 0 1 HKAF COc1cc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)ccc1C=O 587527173 VNGCCZWCUAWTNX-AREMUKBSSA-N 412.485 5.760 0 1 HKAF C[C@]1(c2ccc(-c3ccncc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587739 PQWNZGUXXZFMIX-JYFHCDHNSA-N 409.441 5.331 0 1 HKAF C[C@]1(c2cccc(Oc3ccccc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602144 WTHKJCINZSKFPO-SHQCIBLASA-N 424.452 6.062 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1CCC(c2ccccc2)CC1 587605432 ZOXNSHGMKOCIQP-WSZKNNGQSA-N 400.474 5.696 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(Cl)cccc2s1 587618351 NYLRROWETORQHE-UGKGYDQZSA-N 408.862 5.963 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(C(F)(F)F)cc32)N1 587714959 QICUCSXVPFBRGL-XTZNXHDOSA-N 414.240 5.331 0 1 HKAF CCOc1ccc([C@@]2(C3CC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587799092 ACJQDAHUVZEQBX-YEJXKQKISA-N 404.323 5.175 0 1 HKAF Cc1ccc(OCC2CC2)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587810510 UPTISKWRVTXZPZ-YEJXKQKISA-N 404.323 5.309 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC/C2=C\c2ccccc2)N1 587816902 FRZREAQZEBULFC-ZKJUXOAWSA-N 400.335 5.975 0 1 HKAF CCCCCC[C@@]1(c2ccc(O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587834689 SUJKIPUYNOAPFJ-NYHFZMIOSA-N 420.366 6.042 0 1 HKAF Cc1sc2ccccc2c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587857292 ZLZYAGFIOYHGJP-PRWKNARSSA-N 404.348 5.909 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(C(C)(C)C)cc1 587859189 SJFGICRJCPXLHZ-UHFFFAOYSA-N 417.336 6.242 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1ccccc1C(C)C 587863803 JLRWZYHDBNHAGB-UHFFFAOYSA-N 419.472 5.946 0 1 HKAF COc1cc(O)cc(-c2cccc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c2)c1 587932105 MOEHNRSXLDHPQS-UHFFFAOYSA-N 422.484 6.190 0 1 HKAF O=C(CSc1ccc(Cl)cc1)Nc1ncc(Cc2cccc3ccccc23)s1 653708024 LVHGUAJIQDNSOS-UHFFFAOYSA-N 424.978 6.271 0 1 HKAF COc1ccc2c(c1OC)[C@](c1ccnc(Cl)c1)(C1CCCC1)N(C)[C@@H](C)C2 962624152 DPGVVKLZOJEGBZ-NPMXOYFQSA-N 400.950 5.062 0 1 HKAF Cc1ccc(-c2ccc(O[C@@H](C)[C@@]3(C)N[C@H](C(=O)O)Cc4cccc(F)c43)cc2)cc1 962898859 OZIKQYKJISNXQA-YSBYIQCSSA-N 419.496 5.083 0 1 HKAF CC(C)c1nn(C)c2c1[C@](C)(c1ccccc1OCc1ccc(Cl)cc1)NCC2 962922080 VKQFAZHFUYDHOH-DEOSSOPVSA-N 409.961 5.185 0 1 HKAF CC[C@@H](C)C[C@]1(c2ncco2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962963238 WMBKKTXFHUJAIQ-VFNWGFHPSA-N 408.464 5.025 0 1 HKAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2ccc(Cl)c(Cl)c2)N1 963178872 FDVGHRQSXJQAOJ-CABCVRRESA-N 424.633 5.354 0 1 HKAF CC(=O)c1ccc2c([C@@H](CC(F)(F)F)c3cccs3)c(-c3ccccc3)[nH]c2c1 1857555942 UZFCNEJFWRYDPS-SFHVURJKSA-N 413.464 7.183 0 1 HKAF COc1ccc2c3c(c(=O)oc2c1)[C@H](C)[C@](C)(CCC=C(C)CCc1cc(C)co1)O3 2356368867 ARCTXLANJJGIEY-QYBDOPJKSA-N 422.521 6.317 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356376371 QZTNWQQTEVRSMC-ZZEMIZHFSA-N 416.690 6.606 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](COC(=O)CCC(=O)O)[C@]2(C)CCc1ccoc1 2356382298 VMJXBULAZAIARU-TYJFDUFHSA-N 402.531 5.399 0 1 HKAF CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)CCC=C(C)[C@@H]1C[C@H](O)C(C)(C)O1 2356674180 YHXSUSPTGLHIRR-OALUTQOASA-N 422.949 5.016 0 1 HKAF CC(C)Oc1ccccc1O[C@]1(C)CCN(Cc2ccc(OC(F)(F)F)cc2)C1 61908169 WBURSTYAGKNSOP-OAQYLSRUSA-N 409.448 5.416 0 3 HKAF COc1c(CC=C(C)C)c(O)c(CC=C(C)C)c2occ(-c3ccc(O)cc3)c(=O)c12 14780946 KZXGNZRFSPVMEW-UHFFFAOYSA-N 420.505 5.897 0 1 HKAF biogenic,in-vitro Clc1ccc(OCCC[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 33493846 DUFVHGNXDANSDR-HNNXBMFYSA-N 409.744 6.486 0 1 HKAF Cc1[nH]c2ccccc2c1-c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1 38319800 OCERBHGPRGSMKS-UHFFFAOYSA-N 418.327 7.507 0 1 HKAF CN1CC[C@H]2Cn3c(c(C4CCCCC4)c4ccc(C(=O)O)cc43)-c3ccccc3[C@@H]21 40395393 IRLXIATXIBMCBD-UQBPGWFLSA-N 414.549 6.061 0 1 HKAF CC(C)(C)NC(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2ccccc2Cl)CC1 42888582 MORHMPJDRCOPKR-FQEVSTJZSA-N 420.384 5.209 0 1 HKAF O=C(O)Cc1[nH]c(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1ccc(F)cc1 49125094 TYZQQACSZMJZRK-UHFFFAOYSA-N 422.406 5.301 0 1 HKAF CCCC/C(=C(\c1ccccc1)c1ccc(O)cc1)c1ccc(S(C)(=O)=O)cc1 58590953 JJAOLPDGJSXSNW-IZHYLOQSSA-N 406.547 5.945 0 1 HKAF S=C(Nc1ccc(Cl)cc1)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 64448859 XNDMSMZTZDWIMJ-UHFFFAOYSA-N 404.992 5.468 0 1 HKAF CCc1cccc2c(-c3nsc(CN4CCCC4)n3)cn(CC3CCCCC3)c12 71294729 YIDNWGOGVOGBSW-UHFFFAOYSA-N 408.615 5.898 0 1 HKAF O=C(c1ccccc1)N(C[C@H](O)Cn1c2ccccc2c2ccccc21)c1ccccc1 73140011 VECIERRNHRQJGV-QHCPKHFHSA-N 420.512 5.502 0 1 HKAF Cc1ccc(-c2nc3c(NC4CCCCCC4)ncnc3n2CC[C@H]2CCCN2C)o1 82190767 VMLKWOYKVYOBCC-LJQANCHMSA-N 422.577 5.014 0 1 HKAF C[C@H]1CC[C@]2(C)CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C 100780311 DIFWJJFSELKWGA-LLKIYKPDSA-N 424.713 8.233 0 1 HKAF endogenous,in-man CC(C)[C@@H](N)CN1[C@H]2CC[C@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100847413 FJEFLHYWSUMBKN-FIXSFTCYSA-N 414.540 5.050 0 1 HKAF Oc1ccc([C@]2(c3ccc(OCc4ccc5ccccc5n4)cc3)C[C@@H]3CC[C@@H]2C3)cc1 101144272 WEASJDHFFGWSTR-IFVWFWILSA-N 421.540 6.626 0 1 HKAF CN1[C@@H]2CC[C@@H]1[C@@H](c1cc(Cc3ccc(F)cc3)no1)[C@@H](c1ccc(Cl)cc1)C2 101166384 LXNFWMBEBKFFDO-AZKZNFPZSA-N 410.920 5.792 0 1 HKAF CC1(C)CC2=Nc3cc(C(=O)c4ccccc4)ccc3N[C@@H](c3ccncc3)C2=C(O)C1 104005004 BGMUAOSTTKNIHK-VWLOTQADSA-N 423.516 6.184 0 1 HKAF CCOC(=O)[C@@](C)(Cc1ccccc1)c1ccnc2c(-c3ccc(Cl)cc3)cnn12 115646322 UPYCDEKRPGYCAF-DEOSSOPVSA-N 419.912 5.113 0 1 HKAF C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118915298 CQSRUKJFZKVYCY-DGSQKHOYSA-N 414.718 8.025 0 1 HKAF in-vitro O=C(NCCc1cccs1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 148213386 XEWXZAFMGLZRFU-UHFFFAOYSA-N 416.506 5.047 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cc(-c2ccccn2)ccc1F 167128900 FERQIIZIAJOJKJ-OAQYLSRUSA-N 420.484 5.159 0 1 HKAF Fc1ccccc1CSc1nnc2c3ccccc3n(Cc3ccccc3)c2n1 205091774 KJQCNIJHBGEUFY-UHFFFAOYSA-N 400.482 5.459 0 1 HKAF COc1ccc(O)cc1-c1cc(Cl)cc([C@@H](CC(=O)O)c2ncc(C)s2)c1 219435249 XDEUGCOFNZASFI-QGZVFWFLSA-N 403.887 5.093 0 1 HKAF CC(C)(C)c1cc(=NC(=O)Nc2ccc(-c3cn4cc(Cl)ccc4n3)cc2)[nH]o1 473096854 AVOXGLVNMIDVOT-UHFFFAOYSA-N 409.877 5.006 0 1 HKAF CCc1ccc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)cc1CC 586878359 FSQLFYJUGMPJBG-UHFFFAOYSA-N 413.237 6.016 0 1 HKAF O=c1ccc2cc(-c3nc4c(C(F)(F)F)c(Br)ccc4[nH]3)ccc2o1 586916561 FJBLQSGJQZYZJP-UHFFFAOYSA-N 409.161 5.118 0 1 HKAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 586962104 BJXBGLALIXGTBJ-GOSISDBHSA-N 408.552 5.762 0 1 HKAF COc1cc(/C=C\c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)ccc1Br 586977181 OGPDOXUIZILXLW-HYXAFXHYSA-N 415.184 5.662 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2ccc(CO)cc2[nH]1 586981251 GLPYGYMIMVOZRV-UHFFFAOYSA-N 403.320 5.444 0 1 HKAF Brc1cccn2ncc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c12 587006419 JKAXCZIXQWQPFP-UHFFFAOYSA-N 405.255 5.432 0 1 HKAF Cc1nc(C2CC2)sc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587011197 DQPHQEONINJTIY-UHFFFAOYSA-N 418.238 5.533 0 1 HKAF N[C@@H](N=O)c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 587012196 UYNXORINTVOEJO-FQEVSTJZSA-N 420.519 6.054 0 1 HKAF Cc1ccc(-c2nc(-c3nc4cc(Br)cc(F)c4[nH]3)c(C)s2)cc1 587013714 XJLFSLHMYSGYEH-UHFFFAOYSA-N 402.292 5.872 0 1 HKAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(Oc3ccccc3)ccc2[nH]1 587039017 NYMRJIOACBKQIX-UHFFFAOYSA-N 409.471 5.221 0 1 HKAF Cc1cc(Br)cc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c12 587051167 OYLMNCGTFLJQNY-UHFFFAOYSA-N 406.711 5.549 0 1 HKAF NC(=O)c1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587070060 QJJXSGSFRULIGD-SDXDJHTJSA-N 401.897 5.489 0 1 HKAF Cc1csc([C@](O)(Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)C(F)(F)F)n1 587094053 IYAVGGLWGCVCQT-LJQANCHMSA-N 419.428 5.113 0 1 HKAF C[C@@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccccc1C(F)(F)F 587098175 NZLLWRBDWCFGLJ-SSDOTTSWSA-N 405.164 5.774 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4cc(Br)c(C)nc4[nH]3)ccc2F)cc1 587139471 KSIHAKGXIBPGES-UHFFFAOYSA-N 424.273 5.705 0 1 HKAF C[C@]1(c2c[nH]c3cc(Cl)ccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326784 DCBARDMHUHNHJT-ISKFKSNPSA-N 421.855 5.940 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2CCc2ccccc2)[C@H]1c1ccc(F)cc1 587356515 QRKDJPIXAFJYDY-RAHIQWLESA-N 416.492 6.062 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](S(C)(=O)=O)CCC3)c1 587367059 XWEPVQOFYWDBRX-IBGZPJMESA-N 407.491 5.079 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc(Br)c4)cc1)[C@@H](C2)C3=O 587416614 DMBQRAXLKOCMRM-WMZHIEFXSA-N 421.290 5.613 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1OCc1ccccc1C)[C@@H](C2)C3=O 587417981 GCXAEHGOIHTJJZ-CPJSRVTESA-N 420.892 5.725 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccccc4C)c(OC)c1)[C@@H](C2)C3=O 587440878 BPSREJHNCRZQBK-FNZWTVRRSA-N 416.473 5.080 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1csc(N(C(C)=O)c3ccccc3)n1)CC2=O 587493292 DHEYOPJOXCWEKD-OAQYLSRUSA-N 422.506 5.192 0 1 HKAF COc1cc(-c2ccccc2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587524748 MORVTQDVMRTISF-DEOSSOPVSA-N 414.501 5.956 0 1 HKAF CC[C@@]1(c2c(F)cc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555979 IHDOONBGKMMCFO-KNQAVFIVSA-N 400.352 5.077 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OC1CCCC1 587599397 FUKGBBFHJJAPCW-WIOPSUGQSA-N 402.446 5.417 0 1 HKAF Cc1ccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 587604396 WFPVTHFRICKCED-RPLLCQBOSA-N 408.453 6.071 0 1 HKAF COc1c(-c2cccc(C(F)(F)F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587622346 LIMIVYQZWJQGNS-UHFFFAOYSA-N 410.193 5.501 0 1 HKAF CCOc1ccc(Cl)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587696100 KWPTVYZBIUURTQ-JEOXALJRSA-N 412.730 5.438 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2ccc(Cl)c(Cl)c2)N1 587698936 WFSCITPZAXAHOS-XYZCENFISA-N 403.122 5.713 0 1 HKAF COc1cc(Cl)cc(F)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587722956 UTZUJDTUSOHUNM-CQLKUDPESA-N 402.666 5.013 0 1 HKAF CC(C)[C@]1(CC(=O)Nc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587745101 UQBFLQWHBXVFEH-SZNDQCEHSA-N 419.338 5.003 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C1CCCCC1 587751673 NMDPBYPSBPOQNJ-WHEQGISXSA-N 419.382 6.135 0 1 HKAF COc1ccc2occ([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587825526 ALNIBBAGZXDUHR-PRWKNARSSA-N 404.279 5.141 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sccc2Oc2ccccc2)N1 587844427 NVBPSNGPQHZQNP-BUXKBTBVSA-N 418.331 6.066 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccsc3)nc2)N1 587853481 NJAGTRQWLSBJJQ-WYRIXSBYSA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nnc(-c2ccccn2)s1 587860788 CUMLDUDRGZQSBU-UHFFFAOYSA-N 418.309 5.158 0 1 HKAF CC(C)(C)c1ccc(-c2cc(O)n(-c3cc(F)c(Br)cc3F)c2O)cc1 587943905 SJZWIVNIDRLCFO-UHFFFAOYSA-N 422.269 5.894 0 1 HKAF O=C(O)CCCCCCCCCCCCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 587956742 ADNQYWGNNAIDLC-UHFFFAOYSA-N 402.432 6.038 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccnc(O)c2[nH]1 587961152 RXELFLQOJOEKKH-RCHUDCCISA-N 419.613 7.518 0 1 HKAF Cc1scnc1C(=O)Nc1ccc(N2Cc3cccc(Cl)c3C2=O)c(Cl)c1 653738030 BVURCENMQQMGOC-UHFFFAOYSA-N 418.305 5.171 0 1 HKAF COc1cccc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)c1OC(C)C 961614333 KUTNFZJGKWSACO-IBGZPJMESA-N 402.332 5.013 0 1 HKAF COc1ccc2c(c1)[C@@](CC(=O)c1ccc(C)cc1O)(c1ccco1)N(C(C)C)CC2 962094897 UDOSEKGWVLHJMG-SANMLTNESA-N 419.521 5.085 0 1 HKAF Cc1sc2c(c1C)CCN[C@@]2(C[C@@](O)(c1ccccc1)C(F)(F)F)C(C)(C)C 963012660 QHMKKGVWTSZXAU-NHCUHLMSSA-N 411.533 5.592 0 1 HKAF CCOC(=O)c1cccc([C@]2(C(C)(C)C)NCCc3c(Cl)cc(Cl)cc32)c1 963127006 YQVMGBVCRCJJTK-QFIPXVFZSA-N 406.353 5.606 0 1 HKAF Cc1cc(NC(=O)c2sc(N)c(C(=O)Nc3ccc(F)c(C)c3)c2C)ccc1F 1857552433 WYJJFIVJEWRPAL-UHFFFAOYSA-N 415.465 5.038 0 1 HKAF C[C@@]12CCC[C@H]3C[C@@]([C@@H]4C[C@@H](Cc5ccc(=N)[nH]c5)CC5(CCCC5)C4)(C[C@@H](N)[C@H]31)O2 2356297741 XVWCVNLEKPCASR-OFHCXPNXSA-N 423.645 5.078 0 1 HKAF C=CC(C)=CC[C@@H]1C(C(=O)N[C@H](C)c2ccccc2)=CC[C@@H]2C(C)(C)CCC[C@@]12C 2356498923 MSTFSWXMCDISCF-KYMCINELSA-N 405.626 7.165 0 1 HKAF C[C@H]1C[C@@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C 2356695494 JAVFSUSPBIUPLW-XZORLWRPSA-N 414.674 7.259 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356715827 SJZZRXMQSAXCFD-MCMWVWOJSA-N 418.662 5.763 0 1 HKAF C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CN2 2356747420 RNRSCNSOTUEDQF-GWHNFDFHSA-N 412.662 5.253 0 1 HKAF CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)C=C[C@@H](C)C(C)C)CC[C@@H]32)C1 2356773182 SMKIZRWLCFABEH-PYYRWUFESA-N 412.702 8.065 0 1 HKAF CC(C)=CCC[C@]1(C)C=Cc2c(cc3c(c2O)C(=O)C[C@H](c2cc(O)cc(O)c2)O3)O1 2356775793 OMWKLHZQLGFNOZ-CJFMBICVSA-N 422.477 5.421 0 1 HKAF Cc1cc(Br)cn2c(Cc3ccsc3)c(-c3ccc(F)cc3)nc12 72137960 GSVDRONRJLEXHH-UHFFFAOYSA-N 401.304 5.864 0 3 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CC/C(C)=C/Cn1c[n+](C)c2ncnc(N)c21 257648644 YCSGSEAQYPDNAQ-HCYIYEENSA-N 422.641 5.363 0 3 HKAF in-vitro CCOC(=O)C(Cc1ccc2ccccc2c1)(Cc1ccc2ccccc2c1)C(C)=O 1616778 FELZNIBPNQPTJT-UHFFFAOYSA-N 410.513 5.917 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@H]2C(c3cc(CO)cc(CO)c3)=CCC[C@]12C 3960766 ZJFJYEHKDPEROU-OCBMDVHSSA-N 400.603 5.458 0 1 HKAF CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCCOC 4214004 LRCKUVLOJZSZNE-RPBOFIJWSA-N 422.569 5.520 0 1 HKAF CCCC(CCC)C(=O)O[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O 5509724 NLFJAJPHXUYMGS-JOCHJYFZSA-N 412.917 5.215 0 1 HKAF CCn1cc([C@H](c2ccc(Cl)cc2)n2ccnc2)c2cc(Br)ccc21 5596525 ZUWZMYGOOTZWBS-FQEVSTJZSA-N 414.734 5.911 0 1 HKAF Cc1ccc(-c2cc(C(=O)Nc3ccc4ccccc4c3)c3ccccc3n2)cc1C 6278437 GHVRRJLNANUXQP-UHFFFAOYSA-N 402.497 6.924 0 1 HKAF O=C1C[C@@H](c2ccccc2)Cc2[nH]c(=O)c(-c3nc(-c4ccc(F)cc4)cs3)cc21 8592536 CJFIOFOGYHPHQI-INIZCTEOSA-N 416.477 5.217 0 1 HKAF C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(F)c4)cn3)[C@H]12 13673172 MWHSRQUFYMKSEV-HLBWOJLBSA-N 405.513 5.905 0 1 HKAF CCc1cc(-c2cccc(OC)c2)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 13744116 AGSKUUCGHXGOIF-UHFFFAOYSA-N 424.545 5.060 0 1 HKAF CCCCCC(C)(C)C/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](C)C(=O)NCCF 13766101 LCXOKJHEOHVYGG-FHUDUGRDSA-N 419.669 7.880 0 1 HKAF C[C@H]1CC=C[C@H]2[C@@H](c3ccc(F)c(Br)c3)N(Cc3ccccc3)C(=O)[C@H]12 13830591 ZESNJJBGEWLRGV-VBYRIGCOSA-N 414.318 5.500 0 1 HKAF CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(C(F)(F)F)ccc23)C1(C)C 14975762 JENDDWCJIPEZSM-UHFFFAOYSA-N 407.476 5.952 0 1 HKAF Cc1ccc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1C 27546416 VIENDCBBXXVUAM-VMPREFPWSA-N 411.589 6.115 0 1 HKAF CCC[C@@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc21 28566128 TWGPITPOBFPBHR-XZOQPEGZSA-N 419.521 5.802 0 1 HKAF COC[C@H]1C[C@H]1C1=N[C@@H](COC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CS1 29552121 GLETTXAHAKRGIB-YPJMKTCASA-N 405.648 6.219 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34294468 SGNBVLSWZMBQTH-SSRGEICFSA-N 400.691 7.635 0 1 HKAF endogenous,in-man Cc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4ccccc4)cnc3-c3ccco3)cc12 35969548 BMZLSZWHTJZVBV-FQEVSTJZSA-N 424.504 5.142 0 1 HKAF CCCC[C@@H](Sc1ccc(OCCCOc2ccc(C)c(C)c2)cc1)C(=O)O 43070404 WEKKXRVUIMLCSV-JOCHJYFZSA-N 402.556 5.887 0 1 HKAF CN1CCC(C(=O)Nc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)c2)CC1 45201210 PUOUUWDJAQTVSX-UHFFFAOYSA-N 410.521 5.177 0 1 HKAF CCCOc1ccc(Oc2ccc(-c3ccc([C@H](C)NC(=O)CC)cc3)cc2)cc1 45245591 ZUEHUXGLIMQQDX-IBGZPJMESA-N 403.522 6.522 0 1 HKAF Cc1cccc2nc(-c3cccc(-c4cccc(NC(=O)CCc5c[nH]cn5)c4)c3)[nH]c12 45321499 FVDAPSKUNLSKOK-UHFFFAOYSA-N 421.504 5.500 0 1 HKAF CCOC(=O)c1c(CCCCCCCCCCO[C@@H]2CCCCO2)cccc1OC 71294354 NKPSPVCIDIEJFQ-QHCPKHFHSA-N 420.590 6.078 0 1 HKAF CN(c1cc2ncc(=O)[nH]c2cc1Nc1nc(-c2ccco2)cs1)C1CCCCC1 72107664 PWHNOFMNHOVAFH-UHFFFAOYSA-N 421.526 5.152 0 1 HKAF CC[C@@H](C)Nc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccccc2)n1 82132868 WPGXMDYBPXDVBS-KHYFJFHWSA-N 406.574 5.155 0 1 HKAF CC1CCC(NCc2ccc3c(c2)CC2=C(c4cccc(CC(=O)O)c4)N=N[C@H]23)CC1 87612916 NDESURPQRZDJER-XWFJZQMKSA-N 415.537 5.456 0 1 HKAF CC(C)c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1 95590118 MYMSTILLVFBSHU-UHFFFAOYSA-N 424.482 5.543 0 1 HKAF C[C@]12C[C@@H](c3ccccc3O1)N(C(=O)c1cccc(F)c1)C(=S)N2c1ccccc1 100289459 RNBGNJKSQFSSMX-GBXCKJPGSA-N 418.493 5.313 0 1 HKAF CO[C@]1(c2ccc(Cl)cc2)C=CC(C2CCCCCC2)(C2CCCCCC2)OC1 103172730 SRAVJZVHXFHWLG-RUZDIDTESA-N 417.033 7.448 0 1 HKAF CCC[C@@H](Nc1cncc(-c2ccc(OCCCCN)c(OC)c2)n1)c1ccccc1 136845289 SIBREVUTLLHBFC-OAQYLSRUSA-N 420.557 5.223 0 1 HKAF COc1cc(C)c2[nH]c(=O)c3sccc3c2c1-c1ccc(C2(CN)CCC2)cc1 149236661 KNXPAGANDXONSK-UHFFFAOYSA-N 404.535 5.107 0 1 HKAF C[C@@H](NC1CCCC1)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 165329051 KJXOFDHUAXDUMK-CQSZACIVSA-N 404.535 5.709 0 1 HKAF COc1cncc(C2=CC=C3[C@@H]4CCC5=CC(=O)N(C)CC[C@]5(C)[C@H]4CC[C@]23C)c1 169233153 XEZTXELRFLXOOO-IDCRYQTOSA-N 404.554 5.035 0 1 HKAF CCCCNC[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)c(OC)cc12 169333437 LFXKTQOSKNZIRH-NRFANRHFSA-N 419.352 5.640 0 1 HKAF CC(C)(C)Nc1c(-c2cccc(Br)c2)nc2ccc(C(F)(F)F)cn12 207025250 VDCOJMKBACDIHW-UHFFFAOYSA-N 412.253 5.993 0 1 HKAF COc1cccc(OC)c1[C@@H]1C[C@@H](F)C(=O)N1Cc1ccc2oc3ccccc3c2c1 223035440 WDQKCMWGNYOTEG-MOPGFXCFSA-N 419.452 5.415 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 255222143 JZVFJDZBLUFKCA-FQBMBSHZSA-N 412.702 7.801 0 1 HKAF C/C=C(/CC[C@@H](C)[C@@H]1C=CC2=C3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 255259853 PSJWKKYLLIKCCF-LHDLTZRXSA-N 410.686 7.865 0 1 HKAF COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2c[nH]c3ccccc23)C[C@@H]1C 299878707 JOYFTIBCCGDFHM-DLQQFWPKSA-N 401.466 5.048 0 1 HKAF c1ccc2c3ccn(CCCCCn4ccc5c6ccccc6nc-5c4)cc-3nc2c1 377820925 SSYCWZNSAIARNS-UHFFFAOYSA-N 404.517 6.466 0 1 HKAF COc1cc(-n2ccc3cc(Cl)ccc32)cc2c1OCCN(Cc1cccnc1)C2 473132760 WESWWOOIRSVBJZ-UHFFFAOYSA-N 419.912 5.082 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(Br)nccc3[nH]2)cc1 586880469 ZMDOEPGPXDZPIW-UHFFFAOYSA-N 408.255 5.061 0 1 HKAF Oc1ccc(-c2cccc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c2)cc1 586899084 WRKAHBUBZGOLMO-UHFFFAOYSA-N 419.509 6.879 0 1 HKAF Clc1nccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1Br 586979439 MSLWLUWCZDUQOW-UHFFFAOYSA-N 414.690 5.620 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2ccc(CCO)cc2[nH]1 586981290 GZQFWPDAIOXRJU-UHFFFAOYSA-N 417.347 5.486 0 1 HKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(C(=O)O)cc2[nH]1 586982004 GUMNRMFVRHMZAO-HNNXBMFYSA-N 401.304 5.396 0 1 HKAF N[C@H](N=O)c1ccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2c1 587049736 KZAJUSJHFUURMP-HSZRJFAPSA-N 412.880 6.427 0 1 HKAF CC(C)(C)c1ccc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2n1 587069847 FQQZVMICWDUQMD-WWDRNPRRSA-N 414.380 6.928 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(SC(F)(F)F)cc3)nc3cccc1c23 587104305 SAAYHJVTIBMRLV-UHFFFAOYSA-N 407.416 6.725 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2c1 587112362 IVPZXSCMPMJNOF-UHFFFAOYSA-N 413.193 5.188 0 1 HKAF FC(F)(F)c1nn(CCc2nc3cc(Cl)c(Cl)nc3[nH]2)c(C2CC2)c1Cl 587116927 MOWQZTHPOKERBR-UHFFFAOYSA-N 424.641 5.254 0 1 HKAF COc1cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)nn1-c1ccccc1F 587155819 IAVWENVNGJDVCE-UHFFFAOYSA-N 408.380 5.175 0 1 HKAF CCN1/C(=C/c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)Sc2ccccc21 587208648 WOFWIXWGXRAGNN-IWIPYMOSSA-N 406.510 6.377 0 1 HKAF C[C@]1(c2cc3cccc(F)c3o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340712 YVZKSEDSBYAAFS-ZJSXRUAMSA-N 406.384 5.691 0 1 HKAF C[C@]1(c2ccccc2)CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587353212 OFVKFIGMIAMAIO-AFESJLNVSA-N 402.465 5.771 0 1 HKAF Cc1cc2c(cc1C)[C@@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354224 ALSUUHBVCWEQPO-AZGAKELHSA-N 418.464 5.575 0 1 HKAF COc1cccc(-c2cc(-c3[nH]c(C)c(C(=O)O)c3C)nc3c2oc2ccccc23)c1 587363581 QULVOPXVFTZBDX-UHFFFAOYSA-N 412.445 5.967 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccc(Br)cc3)s1)O2 587412277 IMEKJCCHRNPZBW-INIZCTEOSA-N 415.312 5.170 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(Cl)cc4Cl)o1)[C@@H](C2)C3=O 587417640 DNMZESSXGDVWBI-LHSJRXKWSA-N 401.245 5.751 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCc3cccc(C)c3)c1)CC2=O 587480838 PMYLPAVVGNANNB-RUZDIDTESA-N 402.490 5.939 0 1 HKAF O=C1C[C@@](c2cccc(Cl)c2)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 587506521 NCPSBQHWIXWHFD-RUZDIDTESA-N 423.339 6.781 0 1 HKAF O=C1C[C@H](c2cc3c(C(F)(F)F)ccc(Cl)c3[nH]2)Oc2c1ccc1c2CCCC1 587508612 PQKYRPRJSUMOQT-LJQANCHMSA-N 419.830 6.425 0 1 HKAF O=C1C[C@](c2cccnc2)(c2csc3ccccc23)Oc2c1ccc1c2CCCC1 587535484 LKGZAWLGPKOPLT-SANMLTNESA-N 411.526 6.084 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1ccccc1Cl 587543545 CEPHIUNSIAOTGS-CVDCTZTESA-N 418.836 5.139 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1cc2ccccc2o1 587594433 LIRQKUKCIYQMQC-BWKNWUBXSA-N 424.412 5.231 0 1 HKAF Cc1ccc(Oc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 587598492 BEBBWKVWPRJXKW-SHQCIBLASA-N 424.452 6.196 0 1 HKAF CCOc1cccc2cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)oc12 587615000 FFIAOESXQBOXMS-BWKNWUBXSA-N 416.429 5.414 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCNc3ccc(Cl)cc32)N1 587692197 AWPSCJHBDHRSAP-JEOXALJRSA-N 409.730 5.225 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCCCF)cc2)N1 587714612 GIWBDFJMJFPARR-XCLFUZPHSA-N 410.302 5.124 0 1 HKAF CCc1ccc(-c2c[nH]nc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587789127 ACEQLTFSWWGBCK-YUNKPMOVSA-N 414.322 5.164 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(=O)OC(C)(C)C)c2)N1 587790651 HAPQMQALJKUECI-CWTRNNRKSA-N 420.322 5.167 0 1 HKAF CC(=O)c1c(C)cc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587814739 IRHPCADCMLYGEW-LAJNKCICSA-N 404.323 5.340 0 1 HKAF COc1ccccc1-c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923287 ZLRXXIBKVXFVOQ-UHFFFAOYSA-N 400.478 6.773 0 1 HKAF COc1cccc(-c2cc(O)cc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)c2)c1 587933126 KOWHLIJUUFWFCG-UHFFFAOYSA-N 423.310 5.990 0 1 HKAF CC(C)c1ccc(-c2cc(O)n(-c3cc4cnccc4c(Br)n3)c2O)cc1 587940041 HSRAUTSUNMCYGP-UHFFFAOYSA-N 424.298 5.385 0 1 HKAF C/C(=C\c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)C1CCCCC1 587966643 CVXHTBMZMJNYQK-RVDMUPIBSA-N 405.380 6.734 0 1 HKAF CCCOc1cc2nc(/C=C/c3cccc4ccccc34)[nH]c2cc1Br 587968096 KOJWFDMMYQBJKA-ZHACJKMWSA-N 407.311 6.438 0 1 HKAF COc1cccc([C@]2(c3ccc(Cl)nc3)c3cc(OC)ccc3CCN2C(C)C)c1 962095385 YLYQWKGYGAJRSL-VWLOTQADSA-N 422.956 5.311 0 1 HKAF Cc1ccc([C@]2(c3ccc(C)cc3C)c3ccsc3CCN2Cc2ccco2)nc1 962699971 BLAHDROIMDMRAX-SANMLTNESA-N 414.574 6.012 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(-c3ccccc3)n(-c3ccccc3)n2)N1 962950342 MNLAXGPSIOYVOX-PIIWDFAUSA-N 418.544 6.034 0 1 HKAF Cc1ccccc1[C@@]1(Cc2ccccc2)c2ccsc2CCN1Cc1cccnc1 962997194 KRMQVWLGBOCDEQ-MHZLTWQESA-N 410.586 5.996 0 1 HKAF Clc1cc([C@@H]2c3ccsc3CCN2Cc2cccnc2)cc2c1OCCCO2 963005098 GRTQGDCLQAZBDV-OAQYLSRUSA-N 412.942 5.106 0 1 HKAF CCC[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963218035 BMLFQOZICIMGSA-UNMCSNQZSA-N 415.320 5.184 0 1 HKAF Cc1cc(-c2nc(-c3ccc(F)c(C(F)(F)F)c3)n3c2CCO[C@H](C)C3)cc(C)n1 1772588170 UOWQRZUQLCFLQH-CQSZACIVSA-N 419.422 5.348 0 1 HKAF c1ccc2c3c([nH]c2c1)[C@H](c1ccc([C@@H]2NCCc4c2[nH]c2ccccc42)cc1)NCC3 1772626403 GJTGJNVSYAVKRP-UIOOFZCWSA-N 418.544 5.119 0 1 HKAF CCOc1cc(=O)n(CCCO)c2c1C[C@H](C/C=C(\C)CCC=C(C)C)C(C)(C)C2 1857546530 KYSGOQVCPROHST-HNLWVNFGSA-N 415.618 5.453 0 1 HKAF CC(C)c1ccc([C@H]2[C@H]3CCCC3=NN2S(=O)(=O)c2ccc(Cl)cc2)cc1 1857547434 AZIGSXQBNFGDHO-FPOVZHCZSA-N 402.947 5.365 0 1 HKAF Cc1[nH]c2c(-c3ccccc3)c(-c3cc[nH]c3)nn2c(=O)c1-c1ccc2ncccc2c1 1857618915 PJRIBEFSBUKADG-UHFFFAOYSA-N 417.472 5.208 0 1 HKAF CC1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)O[C@H]3Nc3ccccc3F)[C@H](C)CC[C@@]12C 1857642905 FLYWCZDSMGBZPQ-BFBQSLTNSA-N 411.561 6.626 0 1 HKAF O=C(O)C[C@@H]1COc2cc(OCCCOc3cccc(-c4ccccc4)c3)ccc21 1857772438 NYHQSXAYPOAUNC-HXUWFJFHSA-N 404.462 5.152 0 1 HKAF CCCCC[C@@H]1C[C@@H]2[C@H](NC)CC[C@]34[C@H](C[C@]23C1)[C@@]1(O)CCC[C@](C)(C[C@H]4O)C1 2356425841 TZHRSSAYNMUCJN-KNHZGYGBSA-N 403.651 5.043 0 1 HKAF CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCC(=O)C(C)C)CC[C@@H]32)C1 2356447901 ISWCIVAWIORWPI-QEWPIGGMSA-N 414.674 7.222 0 1 HKAF CC(C)=CCC[C@]1(C)C=Cc2c([C@H]3CC(=O)c4c(O)cc(O)cc4O3)ccc(O)c2O1 2356451872 UWMYFCSRNMSQCQ-PXDATVDWSA-N 422.477 5.421 0 1 HKAF CC(=C[C@H](C)[C@@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)[C@@H](C)C(C)C 2356459326 IBLYVOWFIMIDBP-AFXMWVCNSA-N 412.702 7.945 0 1 HKAF CC(C)(O)[C@@H]1CC=C2[C@H](CC[C@]3(C)[C@@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@]23C)O1 2356469228 FDYCJJJTQUSEOV-DYUHBHDCSA-N 405.582 5.663 0 1 HKAF CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC[C@@H](O)CO 2356517435 JWPHORDRFVRZPP-DEOSSOPVSA-N 402.575 5.361 0 1 HKAF COC(=O)CCC(=O)OC[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 2356523801 GBNDVFBBFXZTRE-TUSQITKMSA-N 400.559 5.317 0 1 HKAF CC[C@@H](C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356759268 XWDAKKDQJHVMKG-OCXKASJTSA-N 410.686 8.009 0 1 HKAF Cc1ccc(N2C(=O)N3[C@@H]4c5ccccc5OC[C@@H]4[C@@H](c4ccccc4)[C@@]3(C)C2=O)cc1 61959784 OUMKGSCVWXDKCD-GZJGYMOFSA-N 424.500 5.070 0 3 HKAF Clc1ccc([C@H](c2c[nH]cc2-c2ccc(Cl)c(Cl)c2)n2ccnc2)cc1 5974157 FTYNXBTULMRXPC-HXUWFJFHSA-N 402.712 6.476 0 1 HKAF Clc1ccc2c(c1)N=C(c1ccc(N3CCOCC3)cc1)N=C(c1cccs1)N2 9185233 RGHKUOWEJDVUJA-UHFFFAOYSA-N 422.941 5.189 0 1 HKAF CCCOc1cc2ncnc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OC 13490842 HJJQEMWWLBZXAO-UHFFFAOYSA-N 406.511 5.603 0 1 HKAF COc1ccc([C@H]2Oc3ccc(Cl)cc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)cc1 13777179 DLEYVIMVXHWFBW-RUZDIDTESA-N 417.936 7.105 0 1 HKAF OC/C(=C/c1cc(OCc2ccsc2)ccc1Br)c1ccccc1 13780373 HKLKYPYELNAKKG-ZDLGFXPLSA-N 401.325 5.623 0 1 HKAF CC[C@H](C)C(=O)c1c(O)c2c(-c3ccccc3)cc(=O)oc2c2cc(C(C)(C)O)oc12 14616137 LPGFEBXRFJLODR-ZDUSSCGKSA-N 420.461 5.368 0 1 HKAF biogenic,in-vitro Cn1cncc1[C@@](O)(c1ccccc1)c1ccc2ccn(-c3cccc(Cl)c3)c2c1 28524227 YDTKMDKWRXTVCZ-RUZDIDTESA-N 413.908 5.302 0 1 HKAF Nc1ccccc1NC(=O)CCCCCCNC(=O)c1cccc(-c2ccccc2)c1 29132995 APXRYINGSDDHKM-UHFFFAOYSA-N 415.537 5.255 0 1 HKAF O=C(O)c1c(O)c(Cc2ccc(Cl)c(Cl)c2)nc2c3c(ccc12)CCCC3 35087117 PWDCFUOLKCRMBT-UHFFFAOYSA-N 402.277 5.415 0 1 HKAF O=C(O)c1cccc(Cc2cc(Cl)ccc2OCc2c(F)cc(F)cc2F)n1 38253933 XXHREHDYPMNEBZ-UHFFFAOYSA-N 407.775 5.020 0 1 HKAF COC(=O)C(C)(C)[C@H](c1ccc(Oc2ccc3ccccc3c2)cc1)n1ccnc1 71316207 CHHVTDCSQGINRS-QHCPKHFHSA-N 400.478 5.617 0 1 HKAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2cccc(C)c2)C1 82145608 JBOIWEDWZMFDKG-WOJBJXKFSA-N 406.574 5.093 0 1 HKAF Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)C[C@@H]1C=C(C(F)(F)F)C=C[C@H]1C2 84653975 VUDCUVCODCIJBC-RYUDHWBXSA-N 409.860 5.604 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@H]1/C(=C/c1ccc(-c4ccc(Cl)cc4)cc1)CN2C3 100810871 VPTOTYACZAFVTR-VBHBAABYSA-N 421.968 5.684 0 1 HKAF COc1cc(C[C@@H]2CC(c3cccc4ccccc34)=NO2)ccc1OCc1ccccc1 103210460 VXOADWWOYHPOLP-HSZRJFAPSA-N 423.512 6.163 0 1 HKAF COc1cc2c(Nc3ccc(Cl)c(Cl)c3)nnnc2cc1OCCCCl 118201795 IKHWRVOXVSFZCH-UHFFFAOYSA-N 413.692 5.092 0 1 HKAF CC(C)[C@H](C)/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913767 PRKPDIRLXGMLSU-FDLRXQLKSA-N 400.691 7.491 0 1 HKAF CC(C)=CCC/C(C)=C/[C@H](O)C/C(C)=C/CC/C(C)=C/Cc1cc(O)cc(C)c1O 140445993 CCXCYBDVGSLXIT-BRLCAVIXSA-N 412.614 7.065 0 1 HKAF Nc1cnc2sc(S(=O)(=O)c3ccc(Cl)cc3)c(-c3ccccc3F)c2c1 149906521 CFASEXMQLSNTDT-UHFFFAOYSA-N 418.902 5.171 0 1 HKAF CCCCCc1ccc(C(=O)Nc2ccc3c(c2)nc(N)n3Cc2ccccc2)cc1 169327506 DMPOUZKZVMCEDA-UHFFFAOYSA-N 412.537 5.652 0 1 HKAF CC1=C(C(C)C)[C@@H]1C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 238738449 XMKPXGGZJIEBEJ-SYGLJSSPSA-N 412.702 7.635 0 1 HKAF C[C@H](CN1CCCC[C@H]1CC1CCCCC1)c1cccc(C(=O)c2ccccc2)c1 253634457 NVCHWGDAUAEPHA-AMGIVPHBSA-N 403.610 6.846 0 1 HKAF CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@@H]5[C@H]6OC[C@@]5(CCC6(C)C)CC[C@@]43C)[C@@]2(C)CC1 254081060 XIZAYEJGPTUGCZ-QCZNBUQUSA-N 424.713 8.187 0 1 HKAF C/C=C(\CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 255256195 OSELKOCHBMDKEJ-FNWFKWIVSA-N 412.702 7.945 0 1 HKAF endogenous,in-man Cc1c(C)c2c(c(C)c1O)C=C[C@@](C)(COCc1cc(-c3ccc(F)cc3)no1)O2 299838912 OXDLAOPYXQDOBP-DEOSSOPVSA-N 409.457 5.493 0 1 HKAF COc1cc(Cc2c(O)c(C)cc3c2[nH]c2ccccc23)cc2c1[nH]c1ccccc12 473149650 JXLLFTIVHZYBIO-UHFFFAOYSA-N 406.485 6.569 0 1 HKAF CCc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1CC 586879312 KXDGCWFSECEPFB-UHFFFAOYSA-N 408.137 5.880 0 1 HKAF Fc1cnc(Cl)c2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc12 587049219 JIIOFERROBEVCW-UHFFFAOYSA-N 408.263 6.891 0 1 HKAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 587049523 AUXABDUMAURUJB-UHFFFAOYSA-N 417.896 5.709 0 1 HKAF CCCCCOc1cc2nc([C@H](O)c3ccccc3Cl)[nH]c2cc1Br 587058599 HKGLUOVHGVYUNQ-GOSISDBHSA-N 423.738 5.630 0 1 HKAF O=c1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587059952 ZJIHRWKGQJZORP-UHFFFAOYSA-N 406.219 5.025 0 1 HKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(-c3ccc(N)c(N)c3)ccc2[nH]1 587066419 NCXYJKDXTPTIBE-UHFFFAOYSA-N 413.912 5.814 0 1 HKAF Clc1cccc(-n2nc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2-c2ccco2)c1 587068282 OVIADMYNEWBTEB-UHFFFAOYSA-N 418.840 5.100 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cccc(C(=O)O)c2[nH]1 587069126 CKVMQPCMZBILDB-FIOCRVBZSA-N 401.293 5.934 0 1 HKAF Cc1c(Cl)ccc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c12 587070181 FMVPMYJZKROMCI-KRWDZBQOSA-N 420.340 5.987 0 1 HKAF Clc1ccc(-c2cnccc2-c2nc3c(Cl)ncc(Br)c3[nH]2)cc1 587074489 WGEWIVMENISWPD-UHFFFAOYSA-N 420.097 5.756 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c(Cl)ncnc2[nH]1 587088172 UEWHMJGALIAAKW-SREVYHEPSA-N 419.703 5.037 0 1 HKAF Cc1ccc(Cc2nc3cc(Br)cc(Cl)c3[nH]2)cc1C(F)(F)F 587094835 IYZJUEUYRXNEOY-UHFFFAOYSA-N 403.629 5.897 0 1 HKAF COC(=O)c1ccnc2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)[nH]c12 587112263 LDCCKUXYONUNLZ-UHFFFAOYSA-N 413.355 5.223 0 1 HKAF FC(F)(F)c1nn(CCc2nc3cc(Cl)cc(Cl)c3[nH]2)c(C2CC2)c1Cl 587116943 MUAKOYKZRCFRCA-UHFFFAOYSA-N 423.653 5.859 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43CO)CC7)[C@@H]1CCC2=O 587215899 WLONVNLWGGLSDV-HUMAURDPSA-N 413.561 5.057 0 1 HKAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(Cl)cc(F)c3[nH]2)c(O)c1 587240605 LSFGRSGFVWOEPY-UHFFFAOYSA-N 409.848 5.218 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2([C@H]3C[C@H]4C[C@@H]2C[C@@](Cl)(C4)C3)[C@@H]1c1ccc(F)cc1 587328820 VXFNINHHWFPBPC-YDGSXZHWSA-N 412.888 5.447 0 1 HKAF CC(C)[C@@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329370 DVHGRZJBPSJGAY-UPVQGACJSA-N 412.407 5.720 0 1 HKAF C[C@]1(c2nc3ccc(Cl)cc3[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336487 YLTRODZQFFIGSX-OFNKIYASSA-N 422.843 5.335 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C2CCCC2)[C@@H]1c1ccc(F)cc1 587354135 MZYQLHMPNOCGED-RSXGOPAZSA-N 402.465 5.976 0 1 HKAF CC[C@]1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2O1 587356861 RVEAKPUPPYOXOG-DMDYGQEQSA-N 418.464 5.737 0 1 HKAF COc1cccc(-c2cc(-c3ccc4ccccc4c3O)nc3c2oc2ccccc23)c1 587364909 AQBGSFCEIYULJF-UHFFFAOYSA-N 417.464 7.182 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3c4c(c1)C(C)(C)CCN4CCC3(C)C)O2 587395781 SZJZGAXHVGTMCA-JOCHJYFZSA-N 404.554 5.453 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccc(C)cc4)c(OC)c1)[C@@H](C2)C3=O 587444358 SRKVPGOUVVSHSI-FNZWTVRRSA-N 416.473 5.080 0 1 HKAF COc1cc2c3c(c1)O[C@]1(c4ccccc4Sc4cc5ccccc5cc41)[C@@H](C2)C3=O 587451100 IBRVKPNCLCQYOS-IDISGSTGSA-N 422.505 6.004 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4nc(C(C)(C)C)cs4)cc1)[C@@H](C2)C3=O 587453463 WQQCUHCQRCZNBV-HTAPYJJXSA-N 405.519 5.605 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc3cc(C(F)(F)F)ccc3s1)CC2=O 587464730 WZLNJEWHMKYOQX-KRWDZBQOSA-N 406.425 6.285 0 1 HKAF O=C1C[C@@H](c2c(O)[nH]c3cc(Br)ccc23)Oc2c1ccc1c2CCCC1 587500355 WKHHDPKPBBUQFK-SFHVURJKSA-N 412.283 5.221 0 1 HKAF CCN(CC)C(=O)Nc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587507058 QZKGFQWUHCHCCY-VWLOTQADSA-N 406.526 5.320 0 1 HKAF CN(C)/C=C\[C@]1(c2ccc(OC(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587508182 STSLFHLFQDBONW-QDGLUTFLSA-N 413.464 5.103 0 1 HKAF O=C1C[C@@H](c2cc(C(F)(F)F)nn2[C@H]2CCCCO2)Oc2c1ccc1c2CCCC1 587509334 RTIIZAYOZCWXSJ-AZUAARDMSA-N 420.431 5.186 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OCc2ccccc2)c1 587520989 CBLXIWFWHHSFKX-SANMLTNESA-N 414.501 5.860 0 1 HKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccccc1N[C@@H]2c1ccccc1 587523116 GYRZYFIACQRUFB-VPUSJEBWSA-N 409.485 5.319 0 1 HKAF COc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587598073 ALNDSBBUFVVWQQ-RPLLCQBOSA-N 424.452 5.306 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c1sc1ccccc12 587616111 BMLWFWKCDPFUIP-DHLKQENFSA-N 424.477 6.463 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2cccs2)n1 587616224 ZGTBBWWVCGMTND-NFBKMPQASA-N 401.443 5.219 0 1 HKAF Cc1ccc([C@]2(c3ccco3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587616820 MHZWGCXZFZLWLA-ZEQKJWHPSA-N 412.441 5.507 0 1 HKAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1cccc(Cl)c1 587622019 UOFCSSSHNCXOBL-UHFFFAOYSA-N 403.667 5.021 0 1 HKAF COC(=O)C(=O)c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2ccc(F)c(Cl)c12 587628321 KGLUQHQOABRKRG-UHFFFAOYSA-N 400.620 5.290 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)ccnc2Cl)N1 587713109 ROBLABCPILPGSC-NXSYQRQQSA-N 423.635 5.279 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F 587720782 URPZURHZVVBNBB-BMLIUANNSA-N 400.238 5.122 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3cc(F)ccc32)N1 587731123 KJXGLDQQAOXIOU-BIBXISHDSA-N 408.286 5.066 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3c2ccc2ccccc23)N1 587808482 ZJVVCHSKVVBVGA-AMXDTQDGSA-N 409.302 5.846 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2CCCCC2=O)N1 587824762 YJNVXDYARUFWGC-SRVWHDFXSA-N 416.334 5.125 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(O)cc3)cc2)N1 587833507 NYEWDTKWFBRTRX-XMHCIUCPSA-N 412.302 5.584 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3nccs3)c2)N1 587852389 GCJHDGKTHKMLMN-ADLMAVQZSA-N 403.320 5.335 0 1 HKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 587952732 WGBMXHMNVODWSJ-QUZZAMIASA-N 422.525 6.188 0 1 HKAF O=c1cc(Oc2nc(C(Cl)(Cl)Cl)nc3ccccc23)c2ccccc2o1 653887141 RVRUGEPGGOJKRH-UHFFFAOYSA-N 407.640 5.355 0 1 HKAF CCCCc1nnc(-c2ccc([C@@H]3c4cc(OC)c(OC)cc4C[C@@H](C)N3C)cc2)o1 962566703 IPKBHXKCQLAPCZ-VOIUYBSRSA-N 421.541 5.062 0 1 HKAF CC(C)C[C@]1(c2ccnc(Cl)c2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962706790 OOAQLEVIGPMTKT-VGSWGCGISA-N 404.982 5.527 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCc2ccccc2)(c2cccc(C)c2C)N1 962938885 AEBOOLJZWQNKRY-MUAVYFROSA-N 408.589 6.585 0 1 HKAF COc1ccccc1[C@]1(CCc2ccccc2C)c2c(F)cccc2C[C@@H]2CCCN21 963102917 NVFFWBZLRSUFEW-NEKDWFFYSA-N 415.552 6.040 0 1 HKAF Cc1c(-c2ccc(N3CCC(Cc4ccccc4)CC3)cc2)[nH]c2ccccc2c1=O 1772575646 LVECPUWXQLALIV-UHFFFAOYSA-N 408.545 5.963 0 1 HKAF COc1cc(C(F)(F)F)ccc1-c1cccc([C@@H](CC(=O)O)c2nccs2)c1 1772645583 TXNSQMCMCSBKQY-MRXNPFEDSA-N 407.413 5.444 0 1 HKAF N[C@@H](c1csc(NC(=O)Nc2ccccc2-c2ccccc2)n1)C1CCCCC1 1857581956 ALLUALHPMDBTLD-OAQYLSRUSA-N 406.555 6.034 0 1 HKAF CCOc1nc2ccc(Oc3ccc(/C=C/[C@H](C)NC(C)=O)cn3)c(Cl)c2s1 1857641468 CYSWUSAYJNCAKA-FYJFLYSWSA-N 417.918 5.074 0 1 HKAF C[C@@H](NC(=O)[C@H](NC(=O)Nc1cccc2ccccc12)c1ccccc1)c1ccccc1 1857754279 QXUOPSQDEHMGSL-KBMIEXCESA-N 423.516 5.580 0 1 HKAF N=c1[nH]c(-c2cccc(C(F)(F)F)c2)c(C(=O)c2ccc(C(F)(F)F)cc2)s1 1857757494 RHGJGLIIZHQCHY-UHFFFAOYSA-N 416.346 5.491 0 1 HKAF CCN1CSC(=CC=CC=Cc2sc(=S)n(CC)c2S)SC1=S 2356556731 MILXVTSWCPWXBG-UHFFFAOYSA-N 418.725 6.043 0 1 HKAF CC(=CCc1cc(C(=O)O)ccc1O)CCC1=C(C)CC[C@@H]2C(C)(C)CCC[C@@]12C 2356600622 RIYHRKNIDKXDII-SQHAQQRYSA-N 410.598 7.302 0 1 HKAF CC(C)=CC[C@H](O)[C@H](C)CCCC(C)=CCC[C@H](C)C[C@@H]1OC(C)(C)N[C@H]1CO 2356617336 YZMSZYHGXHXEPW-HTUFRPJOSA-N 409.655 5.348 0 1 HKAF CC(=O)N[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@@]45C[C@]35CC[C@]12C 2356674386 FXDDRLSNPIXAQG-ZNCRVFBYSA-N 400.651 5.244 0 1 HKAF CC1(C)CC[C@@]2(C)[C@@H](C1)C1=CC[C@@H]3[C@@H]4CC[C@H](O)C(C)(C)[C@@H]4CC[C@@H]3[C@]1(C)C[C@H]2O 2356727404 NAWYQIYLOZTOBS-JIEVNRMRSA-N 414.674 6.360 0 1 HKAF Cc1cc(-c2c(F)cc3c(=O)cc(-c4ccccc4)n(C4CC4)c3c2F)cc(C)n1 13832978 YHQAKGPTTNLZLP-UHFFFAOYSA-N 402.444 5.960 0 1 HKAF COc1ccc(-c2coc3cc(OC/C=C(\C)CCC=C(C)C)ccc3c2=O)cc1 14488285 NIHAJZITTDENLE-XMHGGMMESA-N 404.506 6.540 0 1 HKAF CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C[C@H](c1c(O)cccc1O)O2 14727518 ILTTZDSANMIMOU-HXUWFJFHSA-N 424.493 5.233 0 1 HKAF biogenic,in-vitro CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)c(Cl)c(C)c(C(=O)O)c1O 15263980 KRSHXWRHUWEJOO-NCZFFCEISA-N 406.950 6.720 0 1 HKAF O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(Nc2ccncn2)cc1 28952514 KJEYGBUUVSZRMV-UHFFFAOYSA-N 407.886 5.249 0 1 HKAF CC(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(Br)cc2)cc1 29405732 VRYKMXSZGUZHOF-UHFFFAOYSA-N 424.220 5.279 0 1 HKAF O=C1NC(=O)c2c1c(-c1ccccc1)c(-c1ccccc1)c1[nH]c3ccc(O)cc3c21 34804036 DQBYFQXXFBDIBM-UHFFFAOYSA-N 404.425 5.244 0 1 HKAF CN(C)C12C[C@H](OC(=O)C(C)(C)C)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 40587829 QTJGCUCNGLCPFR-SBOIYXCXSA-N 405.582 5.626 0 1 HKAF CC1=C(c2nc3ccccc3n2C)[C@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 45288811 WKMMAERHZAQFCS-FQEVSTJZSA-N 410.308 5.523 0 1 HKAF CCCCN1CCC[C@](c2ccc(C(=O)N(CC)CC)cc2)(c2cccc(O)c2)C1 45340118 RTMAZPQMEHLOAT-SANMLTNESA-N 408.586 5.056 0 1 HKAF COc1ccccc1-c1noc(-c2ccc(N3CCCC[C@H]3C)c(C(F)(F)F)c2)n1 59226185 GKORUIGMJCLDBE-CQSZACIVSA-N 417.431 5.810 0 1 HKAF CCC[C@H](C(=O)O)c1cc(Oc2ccccc2)cc(-c2ccc(C(F)(F)F)cc2)c1 64624673 YUKWJJUIYSFQHR-QFIPXVFZSA-N 414.423 7.133 0 1 HKAF in-vitro COc1cc2c(cc1OC)[C@@H](C(C)C)N(Cc1coc(-c3ccc(F)cc3)n1)CC2 72101549 QBOZAIZBMCZJAM-HSZRJFAPSA-N 410.489 5.253 0 1 HKAF CCCCCc1nc(-c2cnc(N3CCCCC3)nc2-c2ccccc2C)oc1C 82177426 JFYDQHWOJLTXOK-UHFFFAOYSA-N 404.558 6.138 0 1 HKAF CCCCCn1c(-c2ccc(Cl)cc2)nc2c(NCc3cccs3)ncnc21 82190094 GQVKEVIXIOLTHA-UHFFFAOYSA-N 411.962 6.011 0 1 HKAF Cc1cc(OCCCc2c(C(=O)O)n(C)c3cc(Cl)ccc23)cc(C)c1Cl 95595624 MRXZHJUTVZJIGX-UHFFFAOYSA-N 406.309 5.812 0 1 HKAF Cc1ccc(-c2cc(-c3cc(-c4cc(-c5ccc(C)cc5)[nH]n4)c(O)cc3O)n[nH]2)cc1 96930224 YGPOICPWXCTJNV-UHFFFAOYSA-N 422.488 5.829 0 1 HKAF CC(C)(C)Cc1c(-c2ccc(F)cc2)sc(N)c1C(=O)c1ccc(Cl)cc1 103226651 RWDHINQGQOJZLH-UHFFFAOYSA-N 401.934 6.609 0 1 HKAF CC(C)(C)Cc1c(Br)sc(N)c1C(=O)c1cccc(C(F)(F)F)c1 103226695 QVWROHDCCRXZQB-UHFFFAOYSA-N 420.294 5.931 0 1 HKAF CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(C)cc2)C2=C(O)CCCC2=N1 103544500 MJOGFMZFFXDVFX-XMMPIXPASA-N 401.506 5.589 0 1 HKAF O=c1c2cc(-c3ncccc3C(F)(F)F)ccc2[nH]n1-c1ccc(C(F)(F)F)cc1 137431639 VGTMEUVXBNRDPP-UHFFFAOYSA-N 423.316 5.418 0 1 HKAF CC[C@H](C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137544178 KBCUEZZDVQYXRC-VMQVIPOFSA-N 414.718 8.025 0 1 HKAF COc1cncc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1 167187373 RZIWRUCHHJWXCX-IBGZPJMESA-N 416.477 5.252 0 1 HKAF Cc1cn(-c2cc3c(c(C4CCCCC4)c2)C(=O)NCC3)c2c1C(=O)CC(C)(C)C2 169308157 MHLWEVMLBXNHQO-UHFFFAOYSA-N 404.554 5.274 0 1 HKAF CC1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)O[C@H]3OC(=O)OC(C)(C)C)[C@H](C)CC[C@@]12C 299865742 UJVJNBBSPRJHGY-LUQZYJGQSA-N 418.574 6.326 0 1 HKAF OCc1ccccc1-c1cccc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 586894766 CKLHGSQWVIUDIL-UHFFFAOYSA-N 400.425 6.001 0 1 HKAF O=C1O/C(=C/c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c2ccccc21 586906555 NULAVMUTJJSLEI-VGOFMYFVSA-N 409.161 5.013 0 1 HKAF FC(F)(F)c1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1 586975277 LMOMBOZYFDQERT-UHFFFAOYSA-N 410.020 6.318 0 1 HKAF O=C1c2ccccc2-c2cc(-c3c(F)cccc3C(F)(F)F)nc3ccc(O)c1c23 586985253 BPEPDLAVVXZYEY-UHFFFAOYSA-N 409.338 5.977 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(F)cc3OC(F)F)nc3ccc(O)c1c23 586986357 LHWMQQSKYRYJAH-UHFFFAOYSA-N 407.347 5.559 0 1 HKAF Nc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1N1CCCCC1 586987981 JPDOEYVPKWZBMZ-UHFFFAOYSA-N 421.500 5.391 0 1 HKAF Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cnn1-c1ccc(F)cc1 586988278 IBZOQWLXFCFNMZ-UHFFFAOYSA-N 421.431 5.452 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc4c(c3)[nH]c3ccccc34)nc3ccc(O)c1c23 586989178 AHIUGXBAQRVMEJ-UHFFFAOYSA-N 412.448 6.453 0 1 HKAF Cc1cc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Cl 587033351 YSCXIXCRQJLZOS-BXRZMRDGSA-N 418.975 5.652 0 1 HKAF COc1cc(-c2nc3cc(Br)cc(C)c3[nH]2)cc(Cl)c1OCC(C)C 587044701 PPYLMHPWWDEREW-UHFFFAOYSA-N 423.738 5.998 0 1 HKAF Cc1cc(-c2nc3cc(F)c(C)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587058212 FQLAVHUXPYPAQE-UHFFFAOYSA-N 419.891 5.741 0 1 HKAF FC(F)(F)c1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Cl 587077565 WLUXFWLHMCTOBP-OAHLLOKOSA-N 400.187 5.506 0 1 HKAF O=C1c2ccccc2-c2cc(/C=C\c3ccc(C(F)(F)F)cc3)nc3cccc1c23 587103238 IZLCXIGTWGEIMY-RAXLEYEMSA-N 401.387 6.635 0 1 HKAF COc1ccc(-c2nc3cccc4c3c(c2[C@@H](C)C(=O)O)-c2ccccc2C4=O)cc1 587107481 TZDXJADDOWQATM-CQSZACIVSA-N 409.441 5.310 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(-c4c(F)ccc(F)c4OC)[nH]c3c2)cc1 587133366 UULVHJOUYGHYOV-UHFFFAOYSA-N 410.376 5.096 0 1 HKAF CC[C@H](Oc1ccccc1F)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587156226 QUFAGNIPRARAPR-IBGZPJMESA-N 403.482 6.509 0 1 HKAF Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3ccc(F)c(F)c3[nH]2)cc1 587165871 NTWZZUISDLZNGU-UHFFFAOYSA-N 419.410 5.318 0 1 HKAF COC(=O)CC[C@H](C(C)=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587364186 YWVGOGBTDWPQFD-GOSISDBHSA-N 417.461 5.282 0 1 HKAF COc1cccc(-c2cc(-c3ccc([S@@](C)=O)cc3)nc3c2oc2ccccc23)c1 587365182 JQWRSMGIYWEMBO-SSEXGKCCSA-N 413.498 6.061 0 1 HKAF Oc1nc(O)c2ccc(/C=C/c3ccccc3Oc3ccc(Cl)c(F)c3)nc2n1 587368049 HHRLOGMRNPJBOP-AATRIKPKSA-N 409.804 5.191 0 1 HKAF Cc1nc(C2CC2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587376277 PIPMJTZHIAZZDR-CVDCTZTESA-N 409.482 5.448 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2nccs2)[C@H]1c1ccc(F)cc1 587377460 RNPHXWQPSXGEIQ-XUZZJYLKSA-N 417.461 5.291 0 1 HKAF COc1cc2c3c(c1)O[C@]1(C[C@@H](C)CCc4ccc(Br)cc41)[C@@H](C2)C3=O 587420668 YUHWFOVNUNXZSV-WHECPESLSA-N 413.311 5.073 0 1 HKAF CCCCOc1c(Cl)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587423136 SJGBMVSSFCADOJ-VFNWGFHPSA-N 402.874 5.025 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1cnc4ccccc4c1)[C@@H](C2)C3=O 587429478 UXHPEOOHBLJLDO-LVXARBLLSA-N 411.432 5.074 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1coc3c(Cl)cc(Cl)cc3c1=O)CC2=O 587460332 HGZQTBWKDPKNKV-GOSISDBHSA-N 419.260 5.464 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1F)(C1CC1)CC2=O 587465423 DPNMKPJXTNSRFX-OAQYLSRUSA-N 419.290 5.517 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(=O)O)cc3)s1)CC2=O 587496415 XFVCQYAPDYTXPX-LJQANCHMSA-N 408.475 5.478 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cc(O)cc1Cl 587549277 ZFHIDBTZSGVDFS-FXAWDEMLSA-N 403.217 5.108 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cc(O)cc1Cl 587549281 ZFHIDBTZSGVDFS-YLJYHZDGSA-N 403.217 5.108 0 1 HKAF CC[C@@]1(c2c(F)ccc(F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557804 OOINJPGUSGKOCK-GCJKJVERSA-N 400.352 5.077 0 1 HKAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(C)(C)C 587590303 BOBVOGWFAAPRNB-QPPBQGQZSA-N 404.462 5.401 0 1 HKAF CC(C)CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587595924 LWJGMTOGYZUBNK-WIOPSUGQSA-N 404.462 5.520 0 1 HKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Oc1ccccc1 587599969 JPLGQPSUBYNKMZ-SHQCIBLASA-N 424.452 6.196 0 1 HKAF CCOC(=O)C(=O)c1c(-c2ccc(Br)cc2)[nH]c2cc(Cl)c(F)cc12 587629087 ZVTYAGMUUHRBLR-UHFFFAOYSA-N 424.653 5.136 0 1 HKAF CCOC(=O)c1c(-c2cccc(Br)c2)[nH]c2ccc([C@H](C)CC)cc12 587639365 SZIICMMIRDZDFY-CYBMUJFWSA-N 400.316 6.288 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3C(F)(F)F)c(C(=O)C(F)(F)F)c2c1 587641584 MVPQWFRRNFXAJP-NSHDSACASA-N 413.361 7.112 0 1 HKAF CSc1cccc(NC(=S)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587660428 FBZLCVNFPYXYMD-UHFFFAOYSA-N 421.522 5.170 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cc(Cl)ccc3n2)N1 587695240 IZVYIOPFSYSKCS-OVWNDWIMSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3ccc(Cl)cc3)c2)N1 587701449 UMKOVUKDTCTAQP-WLRWDXFRSA-N 420.713 5.051 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ncc3ccccc23)N1 587706660 RNUWZBHQVBXVKV-YPMLDQLKSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(F)c3)cc2)N1 587728878 GAPAZICXMIBFFA-XMHCIUCPSA-N 414.293 6.018 0 1 HKAF Cc1cc(C)c2nc(O)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587777973 KICSXVNGRCNYFT-FKIZINRSSA-N 415.306 5.082 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc3nc(C(C)(C)C)oc23)N1 587779769 VVPXVPAYGXBAAQ-DYZYQPBXSA-N 418.310 5.046 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 587848991 QQBSSXAPANDSGL-LRTDBIEQSA-N 416.359 6.249 0 1 HKAF COc1ccc(/C=C\Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(OC)c1 587930206 QXQOJTXPJPPVHH-ARJAWSKDSA-N 412.795 5.388 0 1 HKAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(Br)c(C)c3[nH]2)cc1 587933649 UJAUWJHGFNCSMX-HXUWFJFHSA-N 407.311 5.823 0 1 HKAF CC1=C[C@@]2(c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c2cc(F)ccc2O1 962635537 IGYOZRSKPSJEGC-WNCULLNHSA-N 412.508 5.112 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2ccccc2)(c2ccc(OC(C)=O)cc2)N1 962949633 QCQUTZJAKRXJSC-IDISGSTGSA-N 410.517 5.309 0 1 HKAF COc1ccc2c(c1)[C@](C)(c1c(C(F)(F)F)cc(C(F)(F)F)n1C)N[C@@H]1CC[C@@H]21 962994657 LBYUQTVELZDOMD-WBHUJUFNSA-N 418.381 5.184 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]2(CCc1ccccc1)c1ccc(Cl)c(F)c1 963114587 UWSPWHNEBATYKO-BKMJKUGQSA-N 423.934 6.515 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CSc1ccccc1)c1ccc(F)cc1 963224594 DTLCCUFWYCKYSY-FQRUVTKNSA-N 405.582 6.518 0 1 HKAF Oc1ccc2[nH]cc([C@@H]3NCCc4c3[nH]c3ccc(OCc5ccccc5)cc43)c2c1 963834047 ZVGSZDGRNKGGNU-VWLOTQADSA-N 409.489 5.169 0 1 HKAF CC(C)[C@@H](C)[C@@H](O)C[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1772579619 LWNXAKRKGITUJQ-XSLCRYLDSA-N 414.674 6.526 0 1 HKAF O=C(O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1cc2ccccc2[nH]1 1857566263 ZZJPWASVPUNJLC-IBGZPJMESA-N 400.265 5.270 0 1 HKAF O=C(Cc1ccc(Oc2nc3ccccc3s2)cc1)NCCc1ccc(F)cc1 1857570455 LDUMORNZABUPQN-UHFFFAOYSA-N 406.482 5.129 0 1 HKAF CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857617121 FONGTJKKNAMZRQ-JEPZXVLISA-N 416.690 6.750 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1[C@H](O)C=C2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356309653 ZOAXOAKEGDZGLC-AUSJVOHMSA-N 402.663 6.360 0 1 HKAF CC[C@H](C)CCCCCCCCCCCCCOC(=O)[C@H](C)C[C@@H](C)C[C@@H](C)CC 2356655670 KERNEYOYPKEBPM-YIPNQBBMSA-N 424.754 9.355 0 1 HKAF c1ccc(CN2[C@H]3CC[C@@H]2CC(OC2c4ccccc4CCc4ccccc42)C3)cc1 6096327 DZOFIEFQFCWGIY-IQCGEYIDSA-N 409.573 6.087 0 1 HKAF in-vitro COc1cc(O)c(C(=O)[C@@H]2CC=C(CCC=C(C)C)C[C@H]2c2ccccc2)c(O)c1 13410518 VJYZXZFPGQYBKT-YADHBBJMSA-N 406.522 6.156 0 1 HKAF biogenic Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1 13673643 NWAUBAGBGOPJLF-UHFFFAOYSA-N 403.511 5.510 0 1 HKAF CN(C)CC[C@H](OC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 13684771 INJCGKXCJYIXOV-KRWDZBQOSA-N 400.828 5.600 0 1 HKAF Oc1ccc2c(c1)O[C@H](c1ccc(OCCN3CCCC3)cc1)C(c1ccccc1)=C2 13780525 CTVRBSHYWLYHGR-HHHXNRCGSA-N 413.517 5.541 0 1 HKAF CC[C@@H]1C(=O)c2c([nH]c3ccc(Cl)cc3c2=O)C[C@@H]1c1ccc(C(F)(F)F)cc1 27099422 GEAHHPAGJYGKOM-LSDHHAIUSA-N 419.830 5.749 0 1 HKAF CCN(CC)CCCCCCCCCCNc1ccnc2cc(C(F)(F)F)ccc12 27553401 ZRQWYFREEMWCDV-UHFFFAOYSA-N 423.567 7.128 0 1 HKAF CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1)C(=O)O 28088329 CCQQISILGFBECU-UHFFFAOYSA-N 406.482 5.033 0 1 HKAF O=C(Nc1ccc(Oc2ccnc3ccsc23)c(F)c1)N[C@@H]1C[C@@H]1c1ccccc1 35860743 ZCYRUSHHGCLGOQ-VQIMIIECSA-N 419.481 5.905 0 1 HKAF CCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1cccc2c1OCO2 36474297 ZHMPSIQQRHLLOY-UHFFFAOYSA-N 411.933 5.331 0 1 HKAF CC1=C(c2nc3cc(C)ccc3n2C)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 45322232 FOBNCTRYUULKEU-OAQYLSRUSA-N 424.335 5.831 0 1 HKAF CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H]([C@@H]5COC(=O)C5)CC[C@]4(C)C3=CC[C@@H]12 72127829 JUXMUKOXQMUUKD-OMJILPMKSA-N 400.603 5.516 0 1 HKAF CCCCCCc1ccc(OCCCCCCCCCCOC(CO)CO)cc1O 73156942 JRGWZPOVHWFIFJ-UHFFFAOYSA-N 424.622 5.384 0 1 HKAF CC(C)N(Cc1ccccc1)C(=O)c1cnc(NCC2CC2)nc1-c1ccc(F)cc1 82141328 IHWXVVFDPIQCHH-UHFFFAOYSA-N 418.516 5.155 0 1 HKAF CC[C@H](C)NC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc(C)c1 82146195 VXECLMJYEVDLDN-INIZCTEOSA-N 408.933 5.246 0 1 HKAF O=C(Nc1cc(OC(F)(F)F)cc(-c2cccnc2)c1)N1CCc2cc(F)ccc21 95556259 HTBAVCQZUSNZGP-UHFFFAOYSA-N 417.362 5.381 0 1 HKAF CC(C)C[C@@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 119290364 FHSVMYDBGPVTTJ-GLYVDOGFSA-N 420.678 5.410 0 1 HKAF in-man COc1cc(C)c2c(c1)CC[C@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O2 140469453 MLDWXXNWZJMFMZ-OBLZIOOISA-N 410.642 8.287 0 1 HKAF CCOc1cccc(F)c1[C@H]1C[C@@H](C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 167455545 PHWSQDIMXZLFQJ-CXAGYDPISA-N 411.395 5.233 0 1 HKAF CN1[C@@H]2CC[C@@H]1[C@@H](COC(c1ccccc1)c1ccccc1)[C@@H](c1ccc(F)cc1)C2 169295168 KHRLEZKJOSUGEB-JVYGEBFASA-N 415.552 6.198 0 1 HKAF CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](CO)CC[C@]4(C)[C@H]3CC[C@@]21C 255262556 RKYSZGJUFBBPTD-SNFSMAFSSA-N 400.691 7.348 0 1 HKAF C[C@H]1CC[C@@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2C 256408227 CIBAPVLFORANSS-ZOFKPQJFSA-N 414.630 6.002 0 1 HKAF endogenous,in-man CC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1)c1ccc(Cl)cc1 261099797 GBRAYUMBLAVPID-GOSISDBHSA-N 420.904 5.255 0 1 HKAF N=c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)[nH]1 473154076 DWOYOTUFPYODGN-UHFFFAOYSA-N 421.475 6.094 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2c1 586884449 IHKYQBNEJJJQJD-SCLBCKFNSA-N 407.233 5.716 0 1 HKAF Cc1c(Br)cnc2[nH]c(-c3cc(Br)ccc3Cl)nc12 586980416 RLTSDSVGHVVRCB-UHFFFAOYSA-N 401.489 5.112 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(Cl)c(Cl)c4Cl)nc13)-c1ccccc1C2=O 586994402 ZFYMRXKSKXWQJL-UHFFFAOYSA-N 424.714 7.382 0 1 HKAF FC(F)(F)c1cc(Br)cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 587036961 PTMSGFDWLSRQHS-LBPRGKRZSA-N 417.250 5.262 0 1 HKAF COc1cc(/C=C\c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc(Cl)c1OCC(C)C 587046760 LTBDARXILLQKLM-PLNGDYQASA-N 412.877 5.012 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@H]1CN(Cc3ccccc3)C[C@@H]1C4)-c1ccccc1C2=O 587095956 ALOMDPRRTKCWHX-CYFREDJKSA-N 416.524 5.526 0 1 HKAF CCOc1ccccc1[C@@H]1CC(=O)Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587106536 LDQBJEYINPNLMA-NRFANRHFSA-N 419.480 5.492 0 1 HKAF COc1ccc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(F)c1 587150170 ZXKLSXPQQNXHKQ-UHFFFAOYSA-N 403.173 5.083 0 1 HKAF CCCCOc1cc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2cc1Br 587163603 SQCHLMSHUUFGRS-UHFFFAOYSA-N 419.294 5.459 0 1 HKAF Fc1ccc(-c2ccsc2-c2nc3c(Br)cc(Cl)cc3[nH]2)cc1 587163835 LTUKUIDYXYBAFY-UHFFFAOYSA-N 407.695 6.513 0 1 HKAF Oc1c(Br)cc(-c2cc3c4c(cccc4n2)CC3)cc1Br 587208460 RVLRSZWXROIEDK-UHFFFAOYSA-N 405.089 5.231 0 1 HKAF C[C@@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328196 UBSZVRRNWBRAKN-IRLDBZIGSA-N 417.263 6.112 0 1 HKAF COc1cccc(-c2cc(-c3ccc4c(c3)CCC(=O)N4)nc3c2oc2ccccc23)c1 587362930 NBTBFTUPCLPRDE-UHFFFAOYSA-N 420.468 6.208 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1c(F)cccc1O[C@@H](C)c1ccccc1)[C@@H](C2)C3=O 587421772 ANYZFVJARYWCSV-SRPFZCJZSA-N 418.464 5.637 0 1 HKAF COc1cc2c3c(c1)OC1(CCC(c4cccc(C(F)(F)F)c4)CC1)[C@@H](C2)C3=O 587424510 ZKCRMLGQVBGUEM-SDRKTNGBSA-N 402.412 5.558 0 1 HKAF COc1cc2c3c(c1)O[C@H](C[C@@H](c1ccccc1)c1cn(C)c4ccccc14)[C@@H](C2)C3=O 587430913 LBWQUFTVDZFRRT-SGIRGMQISA-N 423.512 5.525 0 1 HKAF O=C1C[C@H](c2ncc(-c3ccc(Br)cc3)[nH]2)Oc2c1ccc1c2CCCC1 587496529 HWQKCCLEKMGQPD-HXUWFJFHSA-N 423.310 5.425 0 1 HKAF C[C@@]1(c2ccc(F)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551299 ZKYJHQMPPJIKRI-RXVVDRJESA-N 418.342 5.427 0 1 HKAF Cc1ccc(NC(=O)c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c(C)c1 587626765 XADPUXOVILRYFB-UHFFFAOYSA-N 414.349 6.383 0 1 HKAF O=Cc1cc(-c2[nH]c3ccc(F)c(Cl)c3c2N2CCC(C(F)(F)F)CC2)c[nH]1 587629609 DSRKDOUGTLITAC-UHFFFAOYSA-N 413.802 5.547 0 1 HKAF O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3ccc(Cl)c(Cl)c3)[nH]c12 587638471 MEJKEQDUPRNBOX-UHFFFAOYSA-N 402.155 5.585 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cccc(Br)c3)c2c1 587641116 KANIDVHCJUFNHP-LLVKDONJSA-N 424.260 6.694 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(Br)cc3)c2c1 587641575 MRTMXWKJHIGLLV-LLVKDONJSA-N 424.260 6.694 0 1 HKAF CC(C)C[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587694989 AXHIWEIUMSSBGV-ZUOKHONESA-N 410.758 6.066 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3cccn3)c(Cl)c2)N1 587695996 OTVWHLZYNIODRS-JEOXALJRSA-N 420.713 5.051 0 1 HKAF CCCCn1nc(C)c(Cl)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587700104 UOLJAIJFJIYLKX-DYZYQPBXSA-N 414.750 5.170 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)Cc2ccccc2-3)N1 587817790 BBPBZODJRVALOE-NPMABZOXSA-N 408.314 5.783 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCCC(=O)O)(c2ccccc2)N1 587827986 NCBFWTCQPFZBCB-SZNDQCEHSA-N 420.322 5.011 0 1 HKAF CSc1ccc([C@@]2(C(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587847672 VAPUJUVIYQDAGP-RNODOKPDSA-N 408.380 5.744 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2nc3ccccc3s2)N1 587859358 WCDHYLZETLCNAO-NSPYISDASA-N 405.336 5.190 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2c(OC)ccc(Cl)c2s1 587872057 GISPWQWHNWGRPN-UHFFFAOYSA-N 403.866 5.349 0 1 HKAF O=C(OCc1ccccc1)N1CCC[C@@H](c2nc(-c3ccc(F)c(F)c3)cs2)C1 587922646 RTBZJPFGQDAJTR-QGZVFWFLSA-N 414.477 5.605 0 1 HKAF CN(c1ccc(-c2csc(-c3c(Cl)cccc3Cl)n2)cc1)S(C)(=O)=O 587924015 YXCDXEIUGQGGNE-UHFFFAOYSA-N 413.351 5.180 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)cc2)cc1OC 587928810 MSIHHEQFAXEZLT-UHFFFAOYSA-N 416.374 6.072 0 1 HKAF Clc1ccc2c(c1)C1(CCCC1)c1cc(Cl)ccc1N2CCc1nn[nH]n1 621432779 WZJAWYGFOABJRL-UHFFFAOYSA-N 400.313 5.061 0 1 HKAF CCOC(=O)CC[C@]1(c2cc(F)cc(Cl)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963096634 FRQCXYIEYJNMPG-REWPJTCUSA-N 419.899 5.226 0 1 HKAF CC1(C)OC(=O)N([C@H]2CC[C@H](n3c(O)nc4ccccc43)CC2)[C@H]1c1ccccc1 1772593088 HMBYRSDLLSZNQT-WFXMLNOXSA-N 405.498 5.198 0 1 HKAF COc1ccc(-c2cc(COCc3ccccc3)c3cc(Cl)c(Cl)cc3n2)cc1 1857560893 WHOMPMORYAUSAQ-UHFFFAOYSA-N 424.327 6.934 0 1 HKAF Cc1cccc(Cl)c1NC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)cnc1N 1857580752 DYOLBZDSDVIACF-UHFFFAOYSA-N 405.807 5.564 0 1 HKAF CC[C@H](C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356476880 RWZXAVHSOHPSBG-HZYLDEFPSA-N 400.691 7.635 0 1 HKAF CC[C@H](C)C=CC=CC=C1CO[C@H](c2c(O)c(-c3ccccc3)cn(O)c2=O)[C@H](C)C1 2356494592 IXMWFEZJSGIEGP-CEYNDMKZSA-N 421.537 5.641 0 1 HKAF C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CCC5=C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 2356570337 DWCSNWXARWMZTG-XAIUJEHFSA-N 414.630 5.714 0 1 HKAF CC(C)C1=C2[C@@H]3CC[C@@H]4[C@](C)(CC[C@@H]5C(C)(C)C(=O)CC[C@@]54C)[C@@]3(C)CC[C@]2(C)CC1 2356585099 CUFJQMZAPYHTHV-LMOBVJSDSA-N 424.713 8.377 0 1 HKAF CC(=Cc1csc(C)n1)[C@H](O)CC=CCCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)C 2356639747 BUXAQZMQSTYYQK-NEJLPYICSA-N 407.620 5.191 0 1 HKAF COc1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@H](CNC4CCCCC4)C=C3C)[nH]c2c1 2356764998 HIUWVUDZECFMFH-SXWKCWPCSA-N 409.618 5.891 0 1 HKAF FC(F)(F)c1cc(Cl)c2nc(-c3ccccc3)c(Cc3cccc(Cl)c3)n2c1 95600055 VGYMWTPTTUGRHL-UHFFFAOYSA-N 421.249 6.918 0 3 HKAF O=C(c1ccco1)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1 3955815 DHFCENHHKCIZRR-UHFFFAOYSA-N 414.549 5.387 0 1 HKAF COc1cc(O)ccc1CCCc1cc(O)c2c(c1CC=C(C)C)C=CC(C)(C)O2 5854463 VUUFGJVPGXHWSO-UHFFFAOYSA-N 408.538 5.975 0 1 HKAF biogenic CCN1C(=O)c2ccccc2Sc2ccc(NC(=O)Nc3ccccc3OC)cc21 8600693 DITXLLKIKIZJQD-UHFFFAOYSA-N 419.506 5.471 0 1 HKAF Oc1nc(CCCN2CC=C(c3ccc(-c4ccccc4)cc3)CC2)nc2ccccc12 13581607 ZCFNRIXRIAHPJO-UHFFFAOYSA-N 421.544 5.724 0 1 HKAF COc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2[nH]c(C)cc2-c2ccccc2)ccc1O 14956294 PCFQQRKUMNFCOB-JCMHNJIXSA-N 422.484 5.864 0 1 HKAF O=C(O)c1cc(-c2c[nH]c3ccc(Br)cc23)nc2cc(Cl)ccc12 26648866 LOMXYQVQBXDLOA-UHFFFAOYSA-N 401.647 5.497 0 1 HKAF CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)c(C)nc3c2)cc1 28568502 LMZBXMHAOBUBRT-UHFFFAOYSA-N 411.505 5.640 0 1 HKAF O=C1OC[C@H]2[C@@H]1Cc1c(Cl)cccc1[C@@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1 28823225 PDDQIXVFAPBIQI-AEXASODUSA-N 419.883 5.683 0 1 HKAF O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Nc2ccnnc2)cc1 28952801 JLBQLIKPFZZUTC-UHFFFAOYSA-N 407.886 5.249 0 1 HKAF COc1cccc2c1-c1ccc3c(c1[C@H]([C@@H]1C=CCCCCC1)O2)C(C)=CC(C)(C)N3 29467909 NYZPSKBMSBIASN-WINIVTDRSA-N 415.577 7.540 0 1 HKAF O=C(/C=C/c1ccc(F)cc1)NC1CCC(CCN2CCc3ccccc3CC2)CC1 45230150 PKAAKDKAQKIIAF-NTEUORMPSA-N 420.572 5.005 0 1 HKAF c1ccc(-c2nc3ccccc3[nH]2)c(Nc2ccnc3cc(-c4nccs4)ccc23)c1 45302516 AYNXSDMMAKJGRL-UHFFFAOYSA-N 419.513 6.645 0 1 HKAF CO[C@H]1Cc2sc(Cc3ccccc3)cc2C2(CCN(Cc3ccccc3)CC2)O1 53243187 GNCXDMQNSJBOLZ-RUZDIDTESA-N 419.590 5.375 0 1 HKAF COc1ccc(Nc2nc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)cc1 58592040 OICJBAIBGFDHOC-UHFFFAOYSA-N 417.465 5.075 0 1 HKAF O=C1C[C@@](CC2CCCC2)(c2ccccc2)OC(=O)[C@H]1SCCc1ccccc1 61959293 HVMPLIFPUAEMOK-ZCYQVOJMSA-N 408.563 5.323 0 1 HKAF CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 64436727 KLHKSHYQHUZTRU-KRWDZBQOSA-N 407.297 5.298 0 1 HKAF CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccc(Cl)cc1)c1ccccc1 72180394 WMNPOHVYNADEHY-OAQYLSRUSA-N 403.913 5.619 0 1 HKAF CC[C@@H](C)Cn1c(-c2cccs2)nc2c(NCCCc3ccccc3)ncnc21 82179966 XIZOKBIBMBPMSS-QGZVFWFLSA-N 405.571 5.646 0 1 HKAF CN1CCN(c2ccc([C@@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 84634591 ZLOIGSNUNDZINZ-YSGWEXQGSA-N 400.610 5.787 0 1 HKAF C=C(c1ccc(C(F)(F)F)cc1)c1cc(OC)c(OC)c(OC)c1-c1ccccc1 95596394 ZZDONAZJDSQGAW-UHFFFAOYSA-N 414.423 6.460 0 1 HKAF COc1ccc(-c2oc3cccc(OC)c3c2C(=O)c2cccc3ccccc23)cc1 96922076 AMHWKKLGGZHOEN-UHFFFAOYSA-N 408.453 6.501 0 1 HKAF CN(C)CCOc1ccc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2ccccc2)cc1 98082992 YBZNIOIWVGFBBS-UHFFFAOYSA-N 401.485 5.490 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1[C@@H](C)c1ccc(OC(F)(F)F)cc1 98176772 HJVDPZHVBGLZSD-WMLDXEAASA-N 423.431 5.417 0 1 HKAF CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2cccc(Cl)c2)C2=C(O)CCCC2=N1 104689878 MMDFWKHAKUMJQO-NRFANRHFSA-N 407.901 5.490 0 1 HKAF COc1ccc(C)c(N(Cc2ccncc2)C(=O)c2sc3ccccc3c2Cl)c1 144727865 HOYYCYVHEJJNGS-UHFFFAOYSA-N 422.937 6.114 0 1 HKAF c1ccc(CN2[C@@H](c3ccccc3)C3=C(NO[C@@H]3c3ccccc3)[C@@H]3CCCC[C@@H]32)cc1 195440104 AXWBMVPUDJKFSZ-OAHLSOMRSA-N 422.572 6.333 0 1 HKAF CC/C(=C/C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 206512838 WSQWPVHORPUSOR-OVZGYGMTSA-N 414.718 8.025 0 1 HKAF COc1ccc(-c2nc(NCc3ccc(O)cc3)sc2Cc2ccccc2)cc1 210754972 YAJBWIQKOFSUJR-UHFFFAOYSA-N 402.519 5.727 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@@H](C)C[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253952106 XUTZDXHKQDPUMA-AGXKJJMWSA-N 415.706 7.174 0 1 HKAF CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255262342 RGTQAAUWMDYDPJ-LGVXIEPNSA-N 412.702 7.657 0 1 HKAF CC(=O)Nc1cccc(-c2n[nH]c3c2Cc2cc(CN[C@H]4CC[C@H](C)CC4)ccc2-3)c1 299810874 RHIITOJBSPGUJJ-OQIWPSSASA-N 414.553 5.275 0 1 HKAF OCCCCCCCCCCCc1nc2cccc(I)c2[nH]1 586894825 WBJCFZYBWWGHHN-UHFFFAOYSA-N 414.331 5.213 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(OC(C)C)ccc2[nH]1 586981147 LEHRUQRHJCMUFY-UHFFFAOYSA-N 410.315 5.879 0 1 HKAF Cc1ccc(-c2noc(Cc3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)n2)cc1 586989407 HTNBGOJVJYNFCC-UHFFFAOYSA-N 419.440 5.101 0 1 HKAF CCN(C)C(=O)Oc1cccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 586995107 FFTBCQJPYRCHCJ-UHFFFAOYSA-N 422.484 5.872 0 1 HKAF CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cs1 587014029 HEPMXYQWCRNOQB-UHFFFAOYSA-N 422.510 5.503 0 1 HKAF Clc1cnc(Cl)c2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc12 587016516 BQGKUWXRMCJANO-UHFFFAOYSA-N 413.293 5.680 0 1 HKAF Fc1cc(Br)cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587018179 YBNZLCZHMWMCPZ-UHFFFAOYSA-N 416.275 5.190 0 1 HKAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c(N)ccnc2[nH]1 587018786 PHARISYVJPKCOV-UHFFFAOYSA-N 404.326 5.296 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccc(Br)cc4[nH]3)c2)c1 587049163 HRLPRLKHGMEKDG-UHFFFAOYSA-N 411.686 6.125 0 1 HKAF CC(=O)[C@@H](C/C=C/c1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106493 HRLOKDOEMUDIAV-WUTDNEBXSA-N 403.481 6.222 0 1 HKAF CC(C)Oc1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1Br 587152858 SPMRMHHASYEZGD-VXGBXAGGSA-N 407.258 5.662 0 1 HKAF Clc1ccc(I)cc1-c1nc2cc3ccccc3cc2[nH]1 587183493 WFZQXIRNOAIMMI-UHFFFAOYSA-N 404.638 5.641 0 1 HKAF COC(=O)CCCCCCCCCc1c(-c2ccccc2)nc2cccc3c2c1CC3 587212537 BEANSJMCSQYULS-UHFFFAOYSA-N 415.577 6.837 0 1 HKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587247932 YOEABGOELMSZNQ-UHFFFAOYSA-N 401.363 5.534 0 1 HKAF C[C@@]1(c2cc(F)c(F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328003 AEPLYNCMKMVMOV-UNMCSNQZSA-N 418.798 5.737 0 1 HKAF C[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348781 ATRYZINZOLQGHY-XTEPFMGCSA-N 424.471 6.473 0 1 HKAF COc1cccc2c1[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355704 ZJIPFYBUDCLJEL-ZCYQVOJMSA-N 404.437 5.131 0 1 HKAF CCc1c([C@H](CC)C(=O)OC)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587362199 GNSQGTFKRYCBEF-SFHVURJKSA-N 403.478 5.886 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc4ccccc4c3)nc3ccccn13)O2 587393774 MDKJHVUBYSKUPW-HSZRJFAPSA-N 419.484 5.752 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccccc1Oc1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O 587442750 NMRGNOLOPZFPKZ-HFZDXXHNSA-N 414.501 6.274 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(Sc4ccc(Cl)cc4)s1)[C@@H](C2)C3=O 587452607 RNGWKMBVDKXFDU-BTYIYWSLSA-N 414.935 6.050 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C(=O)c1ccc(C)c(C)c1)(c1ccccc1)CC2=O 587489973 QIFXNUDAVGZHMH-HHHXNRCGSA-N 414.501 5.705 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1nc3ccc(Br)cc3s1)CC2=O 587494677 LQCJTEBZVCGCKY-MRXNPFEDSA-N 418.312 5.423 0 1 HKAF COc1c(Cl)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587498010 FAIOLPVPSOSKHR-SFHVURJKSA-N 421.718 5.696 0 1 HKAF CCCOc1c(Cl)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587498928 QTUZEYXQTDPTDU-FQEVSTJZSA-N 400.902 5.723 0 1 HKAF Cc1ccc(-n2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C(C)(C)C)n2)cc1 587514596 HJGOFWFLWBTTRC-DEOSSOPVSA-N 414.549 6.064 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1cccc(C(F)(F)F)c1 587543294 BNDXWOHHZXVSCK-ICSRJNTNSA-N 414.379 5.374 0 1 HKAF C[C@]1(c2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547427 SMAOHWNDGUTEJD-GHTZIAJQSA-N 401.245 5.576 0 1 HKAF CC(=O)c1c(C)cc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587600958 DEMWIQOMGBQLCZ-WIOPSUGQSA-N 402.446 5.223 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@@H]1C[C@@H]2C=C[C@H]1C2 587602888 LNJOSQBMMGNXLV-XDYKXKSZSA-N 410.469 5.462 0 1 HKAF Cc1ccc(-c2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)o1 587610670 GNOPMCVYYOSICY-GHTZIAJQSA-N 405.431 5.120 0 1 HKAF CC(C)[C@@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615345 XEOLWEGUCCDXJA-NQIIRXRSSA-N 400.883 5.620 0 1 HKAF Cc1c(-c2cc(Br)ccc2O)[nH]c2c1c(Br)cc1n[nH]cc12 587621672 ZHMRWFALEPYAQN-UHFFFAOYSA-N 421.092 5.250 0 1 HKAF Cc1c(-c2ccc(Br)cc2C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587629557 BKGZKYHNVNDFQM-UHFFFAOYSA-N 406.604 6.717 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2cc(Cl)ccc2Cl)N1 587691279 DRSMNNMHDJPVMW-XTZNXHDOSA-N 417.149 5.887 0 1 HKAF Cc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587708806 DSFOIVUBKFNDQI-ANRSDYALSA-N 408.258 5.298 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(F)cc(Cl)cc2F)N1 587721083 OPNHXEWVRURPNV-WNWIJWBNSA-N 404.657 5.318 0 1 HKAF CC(C)[C@@]1(c2ccc(OCCF)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587722463 YWKJMQVEPJUGMV-QKKBWIMNSA-N 424.329 5.370 0 1 HKAF Cc1cc(C)cc(N2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)c1 587768196 LHCSHFGCGAMKRI-INIZCTEOSA-N 417.366 5.235 0 1 HKAF Cc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587813838 FBZVODLAARAHDW-HJPURHCSSA-N 410.330 5.723 0 1 HKAF CC(C)CCOc1cc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2cc1Br 587958133 AQYUMOPYODJQCI-IRXDYDNUSA-N 413.359 6.097 0 1 HKAF O=C(O)CCCCC[C@]1(C2CCC2)NC2(CC2)Cc2ccc(Br)cc21 961614879 MZFJNFWISHRMFX-OAQYLSRUSA-N 406.364 5.158 0 1 HKAF CC(C)c1cc(O)ccc1[C@H]1c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961779518 TZKCOTWKTPAXDN-XMMPIXPASA-N 422.569 5.756 0 1 HKAF COc1ccc([C@H]2NCCc3cc(C)c(F)cc32)cc1COc1ccccc1Cl 962369744 AOKZMLCLJSGIHH-XMMPIXPASA-N 411.904 5.610 0 1 HKAF Cc1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)n3c2CCO[C@H](C)C3)cc(CF)n1 1772626322 WENVDBYSQOVWDR-CYBMUJFWSA-N 420.315 5.658 0 1 HKAF COc1cc(/C=C\c2ccc3c(c2)c(Br)cn3C)cc(OC)c1OC 1857773295 KMNWTXDLEKFMRN-WAYWQWQTSA-N 402.288 5.137 0 1 HKAF O=C1CN(Cc2cccs2)[C@H](c2ccccc2)c2cc(Br)ccc2N1 1911580289 CIDXSYXGWATSRO-HXUWFJFHSA-N 413.340 5.054 0 1 HKAF CSc1nc2ccccc2n1-c1csc(NC(=O)c2ccc(Cl)cc2)n1 1911585045 XRBQILGSUZQQNV-UHFFFAOYSA-N 400.916 5.110 0 1 HKAF CC(=CCN1[CH]N(C)c2ncnc(N)c21)CC[C@]1(C)C2=C(CC[C@@H]1C)C(C)(C)CCC2 2356507141 PPRAJJACHIXBMX-SIBVEZHUSA-N 422.641 6.104 0 1 HKAF C[C@@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@@H]1C[C@H]1C 2356679502 AOOVLQXWRHMRMX-NTHQVULSSA-N 412.702 7.635 0 1 HKAF CN1C[C@@H](c2c[nH]c3cc(Br)ccc23)N(C)C[C@H]1c1c[nH]c2ccccc12 2356802583 SKUCPWBVTUHORN-VXKWHMMOSA-N 423.358 5.071 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1[C@H](O)CC[C@]2(C)[C@@H]1C[C@H](O)[C@@H]2[C@@H](C)CCCC(C)C 13382587 XXLLTYLTCDARFZ-ZEAGVHNHSA-N 416.646 5.870 0 1 HKAF biogenic O=C(Nc1cc(F)ccc1F)Nc1ccccc1N1CCC(Cc2ccccc2)CC1 13475785 ZHSDVYRCDVUEJS-UHFFFAOYSA-N 421.491 6.068 0 1 HKAF CCCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1 13673660 MKUGRPMZUYUAIX-UHFFFAOYSA-N 417.538 5.845 0 1 HKAF Clc1sccc1CO[C@@H]1c2cc3c(cc2S[C@@H]1Cn1ccnc1)CCCC3 13775774 PZGJGLMEBHLOOX-WOJBJXKFSA-N 416.999 5.909 0 1 HKAF COc1c(-c2ccc(OC)c3c(O)cc(C)cc23)c(O)cc2c1[C@H](C)N(C)[C@@H](C)C2 14421097 UGEJDUMBFTVARC-GJZGRUSLSA-N 407.510 5.181 0 1 HKAF biogenic CC(=O)C1=CC[C@@H]2[C@](C)(C1)C(=O)C[C@H]1[C@]3(C(=O)O)CCCC(C)(C)[C@H]3CC[C@]21C 14592519 DBQBYAIEWPVSPT-SVUPRTJHSA-N 400.559 5.205 0 1 HKAF biogenic COC(=O)c1ccc(/C=C(/c2ccc3c(c2)C(C)(C)CCS3)C(F)(F)F)cc1 27432583 VZCDXXSDZFFCJF-ATVHPVEESA-N 406.469 6.350 0 1 HKAF COc1cccc(-c2[nH]c3ccccc3c2CCNCCCCc2ccc(O)cc2)c1 27559262 SHUNPYYUCGHYIJ-UHFFFAOYSA-N 414.549 5.704 0 1 HKAF O=S(=O)(NCCCCCCCCCCc1c[nH]cn1)c1ccc2ccccc2c1 29485800 ANHJFDNMPMIHKX-UHFFFAOYSA-N 413.587 5.205 0 1 HKAF Cc1ncsc1C(=O)N(Cc1ccnc2c(F)cccc12)c1cccc(Cl)c1 40949558 PFMMJHMJZNNFRB-UHFFFAOYSA-N 411.889 5.639 0 1 HKAF COc1cc(-c2ccc3cc(C(=O)O)ccc3c2)ccc1C12CC3CC(CC(C3)C1)C2 40955140 DPGRRYVOTHHMIY-UHFFFAOYSA-N 412.529 6.681 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4cccc(CN5CCC[C@H](O)C5)c4)s3)nc12 45166879 WOUSSKJJCHIVRP-IBGZPJMESA-N 403.551 5.224 0 1 HKAF OCC1CCN(Cc2ccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)cc2)CC1 45227471 OQWGWNKZEJLBIO-UHFFFAOYSA-N 415.512 5.240 0 1 HKAF O=C(Nc1nc(CCO)cs1)[C@@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 49785950 NBHYTLAIODYUBN-HNNXBMFYSA-N 413.370 5.287 0 1 HKAF CN(c1ccccc1)[C@H](c1ccc(O)c(Br)c1)c1c[nH]c2ccccc12 71341141 JBJUARVLMORFMH-JOCHJYFZSA-N 407.311 5.862 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CCC(CCO)CC2)C(C)(C)CCC1 72110909 ODRSNVLBJMIFFC-XGOOJIEDSA-N 411.630 6.139 0 1 HKAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccc(F)cc1 82136265 IZJXWRGQHRCHRS-VGSWGCGISA-N 424.564 5.583 0 1 HKAF CC[C@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCC(C)C)ncnc21 82177886 XPJMUCGCZUYWKX-AWEZNQCLSA-N 421.467 5.506 0 1 HKAF CCCCNC(=O)CC1=C(C)/C(=C/c2ccc([S@@](C)=O)cc2)c2ccc(F)cc21 84740234 GADKIEHUMBNNQD-MIQMEJSGSA-N 411.542 5.197 0 1 HKAF CCCN(CCCCCCCCCc1ccccc1)[C@H]1CCc2c(O)cccc2C1 95559419 HVFVTDPHUINJDO-SANMLTNESA-N 407.642 6.935 0 1 HKAF CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)NC(C)(C)C 103278401 BSVGYICIVYGCPJ-LJQANCHMSA-N 424.532 5.820 0 1 HKAF COc1cccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)c1 104021048 KREDENQZLAURMY-VOIUYBSRSA-N 402.519 6.386 0 1 HKAF O=C(c1ccccc1-c1ccccc1)N1C[C@@H]2CN(c3ccc4ccccc4n3)C[C@H]2C1 116823343 XNCXEFDPSSQEHF-GOTSBHOMSA-N 419.528 5.110 0 1 HKAF CC(C)[C@H]1C[C@@H]1C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137593162 FBHIUIDQPRBDHL-ZEGBRQQBSA-N 400.691 7.325 0 1 HKAF CCCCC1(CCCC)Oc2cc3oc(C(=O)O)cc(=O)c3cc2-c2ccccc21 169316361 DLDLWEDBGIEMDY-UHFFFAOYSA-N 406.478 6.126 0 1 HKAF O=C(Nc1cnc2ccccc2c1)c1ccc(-c2ccccc2)c(CN2CCCCC2)c1 201770561 MLYQRKYDWYGQBC-UHFFFAOYSA-N 421.544 6.140 0 1 HKAF Fc1ccccc1-c1c[nH]c2ccc(-c3nnc(NCc4ccccc4)s3)cc12 204773474 VSIFNXZWHPKPOS-UHFFFAOYSA-N 400.482 6.105 0 1 HKAF C/C=C(/C)C(=O)O[C@@H]1[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2C[C@@H]2[C@H](C3)[C@@]21C 238741303 ODPVEUHWRLKVGP-CFQPYDNTSA-N 414.586 5.306 0 1 HKAF C[C@H]1[C@H](C)CC[C@@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 238746111 DIFWJJFSELKWGA-RLSFRAQYSA-N 424.713 8.233 0 1 HKAF Brc1cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1Br 586884872 JOSGPVZBTSPJQC-KPZWWZAWSA-N 418.132 5.459 0 1 HKAF CCCOc1cc2nc(-c3c(C)oc4c3C(=O)CCC4)[nH]c2cc1Br 586904356 STOYAURXTPTJMQ-UHFFFAOYSA-N 403.276 5.202 0 1 HKAF Fc1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1Br 587006082 GURDPTNEHCYNLI-UHFFFAOYSA-N 409.056 5.147 0 1 HKAF Fc1cc(C(F)(F)F)c2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc2c1 587030052 WHQWPWLLCJRDCT-UHFFFAOYSA-N 417.391 5.242 0 1 HKAF CC(C)(C)c1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2n1 587033312 YMLTZVGUJZCYLV-UHFFFAOYSA-N 401.333 5.482 0 1 HKAF FC(F)(F)c1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Cl 587050075 OMSBSFNPMBWLPZ-HTQZYQBOSA-N 405.634 6.813 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cncc(Cl)c2[nH]1)c1cccc(Cl)c1 587071570 OCKMEXPLRUCANN-CQSZACIVSA-N 407.301 5.073 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cnc3ccccc3c2[nH]1 587072272 PZKSEDRXYKPBDF-YIVAWFJXSA-N 408.332 6.784 0 1 HKAF CC(C)c1c([C@H](C)NC(=O)OC(C)(C)C)nc2cccc3c2c1-c1ccccc1C3=O 587104744 VNMCBZNBUKLWKC-HNNXBMFYSA-N 416.521 6.155 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cccc(C(C)(C)C)c4[nH]3)cc2F)c1 587143204 LYYAQSXWKVRGIO-UHFFFAOYSA-N 408.904 6.996 0 1 HKAF Cc1c(Br)cnc2[nH]c([C@@H](Nc3ccccc3)c3ccccc3F)nc12 587153369 ZEDPRTIHYQGCLT-SFHVURJKSA-N 411.278 5.369 0 1 HKAF Cc1ccc2nc(-c3ccc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)[nH]c2c1 587172074 YKLHDZITTDOSEI-UHFFFAOYSA-N 415.877 5.132 0 1 HKAF Fc1cc(Br)c2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2c1 587195696 HSPGYQZWKAXTOG-UHFFFAOYSA-N 410.290 5.671 0 1 HKAF Cc1c(Br)cc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2c1C 587233308 MQNULZVZVWUDAQ-JSGCOSHPSA-N 408.340 5.103 0 1 HKAF COc1ccccc1Nc1ccccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587241631 ZRQFUCZPHPTLAV-UHFFFAOYSA-N 419.794 5.396 0 1 HKAF COc1cccc(Cl)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328451 UOYJZLPGHDGTRS-NFBKMPQASA-N 412.844 5.468 0 1 HKAF C[C@@]1(c2c(Cl)nc3ccccn23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331926 RDMSWEGNSLMEBP-WMZHIEFXSA-N 422.843 5.107 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3[nH]c4ccccc4c32)[C@H]1c1ccc(F)cc1 587345654 JGEHGHKZAVJRRV-OZXSUGGESA-N 413.448 5.603 0 1 HKAF CCCc1ccc([C@@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587352932 KFQMNCPILDECQF-XNMGPUDCSA-N 418.508 6.394 0 1 HKAF CC[C@@H](C)c1ccc(-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C)cc1 587364519 CLDSWRSQZYZLIX-GOSISDBHSA-N 421.540 8.146 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cccc(Cl)c2C(=O)c2cccc(Cl)c21 587378401 BYBXEVJVCFHUMN-QHCPKHFHSA-N 424.283 5.337 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccc(OC(=O)c4ccccc4Cl)c1)[C@@H](C2)C3=O 587421727 WYTYKGGVUCXTRZ-FDDCHVKYSA-N 420.848 5.057 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(Oc3ccc(OC)cc3)c1)CC2=O 587477803 JHVLVKOTFLOZGI-DEOSSOPVSA-N 404.462 5.852 0 1 HKAF COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587521087 AJBPSFNZOUWQIP-VAVYLYDRSA-N 424.540 6.165 0 1 HKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1-c1cc3ccccc3cc12 587529262 MOKCUAIJQIIMNT-GDLZYMKVSA-N 402.493 6.608 0 1 HKAF CC1(C)C[C@H]([C@]2(Cc3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)CCO1 587536742 WDRIISGANNCIAB-ZBLYBZFDSA-N 404.550 5.717 0 1 HKAF C[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543661 IKSAGVYBRMTNMB-WIYYLYMNSA-N 411.251 5.032 0 1 HKAF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]c2ccc(Cl)cc12 587550493 BKXISJUQEIFBNI-AUSIDOKSSA-N 405.837 5.538 0 1 HKAF Cc1ccccc1-c1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603031 MMUHEQMLVNVFGY-SQHAQQRYSA-N 408.453 6.071 0 1 HKAF CCCCCCc1c(-c2ccc(N)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623527 VGTBFCBFMMAENV-UHFFFAOYSA-N 411.347 6.179 0 1 HKAF CCO[C@H](C)c1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2N)cc1 587626698 WIPFNLPIGBHGJV-SNVBAGLBSA-N 416.365 6.552 0 1 HKAF Cc1nc2c(C)cccc2c(Cl)c1Cc1c(C)[nH]c2ccc(S(C)(=O)=O)cc12 587649983 UADRXIPYUCSSPY-UHFFFAOYSA-N 412.942 5.289 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Br 587676022 DSMDZTYAGRPKAI-BMLIUANNSA-N 413.128 5.283 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCNc3ccc(Cl)cc32)N1 587692202 AWPSCJHBDHRSAP-WYRIXSBYSA-N 409.730 5.225 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccccc3Cl)no2)N1 587695354 JDXKTAUGTQICPE-OVWNDWIMSA-N 421.697 5.520 0 1 HKAF Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cccc1C(F)(F)F 587710971 IEYYQSFCQJFUBC-VVVCHXIZSA-N 402.229 5.539 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(C(F)(F)F)cc2)N1 587714368 PNXRNXYHZMRMBK-BBATYDOGSA-N 416.256 5.599 0 1 HKAF Cc1c(F)ccc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n(C)c12 587731780 ZWOHGJXXBFEAJM-APBUJDDRSA-N 405.286 5.151 0 1 HKAF CC(C)[C@]1(CCc2cccc(N)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587746684 NZJAVYXXPUWCDZ-QKKBWIMNSA-N 405.355 5.189 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(N)cc3)o2)N1 587748434 XCWQKBYRXFDRPM-PRWKNARSSA-N 401.279 5.054 0 1 HKAF Cc1ccc(-c2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)no2)cc1 587790539 CKFDDVRXIAOEPF-ODXCJYRJSA-N 401.279 5.175 0 1 HKAF CCCCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587793535 NMCZSOZCWVDMRR-SZNDQCEHSA-N 406.339 5.781 0 1 HKAF CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C\[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587813343 BUWBDKUUDKUAFG-JVGKPLDCSA-N 420.410 6.522 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c4c(cccc24)CC3)N1 587815037 JSPCQCMUMCUYGW-ZLOXQWCVSA-N 410.330 5.638 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(=O)C3CCCC3)c2)N1 587818789 JVZVUKCPFQMPNB-YEJXKQKISA-N 416.334 5.585 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(CC)nc2sc3c(c12)CCC3 587872085 GSUNPBFWPHDMRJ-UHFFFAOYSA-N 408.502 5.133 0 1 HKAF CC(=O)N(CCc1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1)C(C)C 587923272 ZABYJBZKRPUIAB-UHFFFAOYSA-N 421.541 5.897 0 1 HKAF Cc1cc(-c2ccc3c(c2)CCc2sc(Cc4ccc(F)c(F)c4)nc2N3)ccn1 653709045 PCMKFNFWVVOWJR-UHFFFAOYSA-N 419.500 6.225 0 1 HKAF Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@H](C)c4cccc(Cl)c4)cc23)cc(C)n1 653850156 IXXHBQUKYWAYMT-OAHLLOKOSA-N 404.901 5.386 0 1 HKAF FC(F)(F)c1ccc(COc2nc(C(Cl)(Cl)Cl)nc3ccccc23)cc1 653913927 VFZWBYPNWICBFD-UHFFFAOYSA-N 421.633 6.054 0 1 HKAF c1ccc(-c2cccc3c2[C@@]2(C[C@H](c4ccccc4)Oc4ccccc42)NCC3)cc1 962672313 XZCJXPYNUVAQHL-PXJZQJOASA-N 403.525 6.267 0 1 HKAF COc1c(Cl)ccc([C@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)c1F 962697865 GSYYUOPWNWSIQN-ASSNKEHSSA-N 409.929 5.254 0 1 HKAF Cc1cccc([C@]2(c3ccc(F)cc3)c3ccsc3CCN2Cc2cccnc2)n1 962991932 GHCYOEMZNFGWAB-VWLOTQADSA-N 415.537 5.336 0 1 HKAF COc1cc(C[C@@H]2CCC[C@]3(C2)N[C@@H]2CC[C@@H]2c2ccc(OC)cc23)cc(OC)c1 962994495 KSWHKGKJJYHDHG-SJCIARIUSA-N 407.554 5.190 0 1 HKAF O=C(C[C@@]1(c2ccc(Cl)cc2)c2ccc(F)cc2C[C@@H]2CCCN21)C(F)(F)F 963096172 CSMPMFLUEKGPGO-FXAWDEMLSA-N 411.826 5.265 0 1 HKAF CCN(CC)CCCN=c1[nH]c(/C=C/c2cccs2)nc2ccc(Cl)cc12 1857549119 ZMOIJNLEECMATK-PKNBQFBNSA-N 400.979 5.081 0 1 HKAF CC(C)=CCCC(C)=CCC[C@@]1(C)Oc2c(Cl)c(C)c(C=O)c(O)c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c1nc2c(OCc3ccc(F)cc3)cccn2c1N(C)C(=O)CCC1CCCC1 61905493 LAIMIWRMMPQDAT-UHFFFAOYSA-N 409.505 5.294 0 3 HKAF CC(C)(C)C(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccc(C(F)(F)F)cc1 95600545 GXEMUBFLOCQRNG-UHFFFAOYSA-N 414.427 5.743 0 3 HKAF O=C1Nc2cccc3c2[C@]1(CCCCN1CC=C(c2ccc(F)cc2)CC1)CCC3 13473710 WFTIQBHOHOELTR-SANMLTNESA-N 404.529 5.312 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N)C[C@]4(C)[C@H]3CC[C@@]21C 28540755 RPOCVVZURWQKBG-KGCFQABDSA-N 403.695 6.406 0 1 HKAF CCc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@@H]2[C@H](CC)C(=O)O 28563179 KIPPYACIJFQVQP-RBBKRZOGSA-N 419.521 5.666 0 1 HKAF Cc1cc(C)c2oc(-c3ccc(NC(=O)COc4ccc(F)cc4C)cc3)nc2c1 29048984 SHJANSQNKOCQHZ-UHFFFAOYSA-N 404.441 5.577 0 1 HKAF CCCCCCn1c(NC2CCN(CCc3ccccc3)CC2)nc2ccccc21 29564383 HDAFSQISCIMFEH-UHFFFAOYSA-N 404.602 5.736 0 1 HKAF Cc1cc(-c2scnc2C)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 43123516 VJTPNHKRGZLNMU-UHFFFAOYSA-N 416.333 6.256 0 1 HKAF c1cncc(CCNCc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)c1 45189572 IITGPRQNXMVJQX-UHFFFAOYSA-N 410.546 5.686 0 1 HKAF Fc1ccc2[nH]c(-c3cccc(-c4ccc(CNCCc5ccncc5)cc4)c3)nc2c1 45210544 QKFBTWKBYFPWKR-UHFFFAOYSA-N 422.507 5.763 0 1 HKAF CCC(C)(C)c1cccc(C(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)c1 45370948 AIKJXDYVHVJKIU-UHFFFAOYSA-N 415.493 5.588 0 1 HKAF COc1cc(Nc2ncc3c(n2)[C@H](c2ccccc2)CCC3)ccc1-n1cnc(C)c1 95574196 NNNTYDUUOVVGCR-NRFANRHFSA-N 411.509 5.191 0 1 HKAF Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCCc3ccccc3)C[C@@H]1O2 96927721 CWMKMTKSZKCCKL-NSOVKSMOSA-N 413.561 5.362 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1ccc(Oc2ccccc2)cc1 98176766 JIGAHDXVFLETEY-JOCHJYFZSA-N 417.505 5.750 0 1 HKAF CC(C)CC(=O)C[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 100638847 KDAQYAWWCMONCO-OYRHEFFESA-N 413.602 5.797 0 1 HKAF O=C(Nc1cccnc1)c1cc(-c2ccco2)nc2ccc(-c3ccccc3F)cc12 150106331 TYBCDZWPKGHELV-UHFFFAOYSA-N 409.420 5.948 0 1 HKAF C[C@@H](NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1ccc(F)cc1 198390969 BZCVWUCLNMTRBT-OAHLLOKOSA-N 408.423 5.598 0 1 HKAF Nc1nnc(-c2ccc3[nH]cc(-c4cccc(-c5ccc(Cl)cc5)n4)c3c2)s1 204768041 PHIHTBDQZOPXAF-UHFFFAOYSA-N 403.898 5.651 0 1 HKAF COc1cccc(C(=O)NC[C@@H](CC2CC2)c2ccc(C(F)(F)F)nc2)c1Cl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endogenous,in-man Cc1ccc2c3c(cc(-c4ccc(Br)cc4O)nc13)-c1ccccc1C2=O 586993357 KRYKMHRDKQTVOE-UHFFFAOYSA-N 416.274 5.890 0 1 HKAF Cc1ccc2c3c(cc(-c4ccccc4OC(F)(F)F)nc13)-c1ccccc1C2=O 586995421 KBMKCIJDPBJODA-UHFFFAOYSA-N 405.375 6.320 0 1 HKAF CC(C)Oc1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 586998540 MGMPDRQGJGZYBB-FMIVXFBMSA-N 423.310 6.543 0 1 HKAF Cc1cc2c(Br)ccc(-c3nc4cc(Br)cc(F)c4[nH]3)c2o1 587003655 LHBXUIRLXZXTAA-UHFFFAOYSA-N 424.067 5.949 0 1 HKAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc(Br)c(C)c(C)c2[nH]1 587026183 BDLXMRBXXURUCX-UHFFFAOYSA-N 402.317 5.558 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c2)c1 587049758 LFSMWCRTBDCKMR-UHFFFAOYSA-N 401.853 5.248 0 1 HKAF CCc1cc(OCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)ccc1Cl 587052874 QWQOHEJFZRWTOA-UHFFFAOYSA-N 405.754 5.407 0 1 HKAF Clc1cccc(-c2cc(-c3nc4c(OCc5ccccc5)cccc4[nH]3)n[nH]2)c1 587068180 KLRRPFPGCJRORZ-UHFFFAOYSA-N 400.869 5.852 0 1 HKAF Clc1ccc(C2(c3nc4cccc(I)c4[nH]3)CCC2)cc1 587073973 ONIXFTBGLGGMPU-UHFFFAOYSA-N 408.670 5.291 0 1 HKAF Clc1cc(Cl)c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c1 587081358 OUDACVVSZQXZSK-UHFFFAOYSA-N 414.683 5.900 0 1 HKAF CC(=O)[C@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C12CC3CC(CC(C3)C1)C2 587107412 SGVRAOKAPMPANZ-CPUNTBAPSA-N 421.540 6.335 0 1 HKAF Fc1c(F)c(F)c(/C=C\c2nc3c(Br)cnc(Cl)c3[nH]2)c(F)c1F 587132132 KQOXGVAKMQIRTR-UPHRSURJSA-N 424.554 5.240 0 1 HKAF Fc1ccc(F)c(SCc2cccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c2)c1 587141116 LSEOZJQLBXJTKI-UHFFFAOYSA-N 424.472 5.962 0 1 HKAF Cc1cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2cc1C 587165475 CAUZDVWKGYWQLG-UHFFFAOYSA-N 411.484 5.656 0 1 HKAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(C)c(C)c3[nH]2)c1C 587166108 STKVRLNTCQDWIB-UHFFFAOYSA-N 419.500 5.515 0 1 HKAF Fc1ccc2c(c1)C[C@H](c1nc3cc(Br)cc(C(F)(F)F)c3[nH]1)O2 587173367 CDEREYUMAMAYQP-CYBMUJFWSA-N 401.157 5.160 0 1 HKAF Clc1cc(I)cc(-c2nc3ccc4c(c3[nH]2)CCCC4)c1 587184777 WCEBUHDWDGXFJC-UHFFFAOYSA-N 408.670 5.367 0 1 HKAF Cc1sc(-c2nc3cccc4c3c(c2C)-c2ccccc2C4=O)cc1Br 587209350 OJLQJYOJLCLDFC-UHFFFAOYSA-N 420.331 6.554 0 1 HKAF COc1cccc(-c2cc([C@@H](CC(C)C)CN(C)C)nc3c2oc2ccccc23)c1 587359187 FAYUGQAVFXZHBC-IBGZPJMESA-N 402.538 6.348 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC13C[C@H]4C[C@@H](CC(Br)(C4)C1)C3)O2 587372905 NNRFKBJAPNUHSC-YFZRKFJTSA-N 418.375 5.425 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Oc1cccc(C(F)(F)F)c1)CC2=O 587464148 JORLKKOMYHJWSU-ZSEKCTLFSA-N 408.416 5.555 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3ccc(OCC)cc3)o1)CC2=O 587479838 JQHJISYOJYTQKP-XMMPIXPASA-N 422.477 5.622 0 1 HKAF Cc1cccc(I)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587505203 HSQPQSCYQIYORX-GOSISDBHSA-N 418.274 5.185 0 1 HKAF CC(C)(C)C(=O)Nc1ccnc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)oc12 587513366 RWIKOBWKTGGUBF-OAQYLSRUSA-N 418.493 5.398 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(F)cc2)o1 587570063 JZURBMMJPMDSOZ-QPPBQGQZSA-N 402.377 5.494 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(OCc1ccccc1)CC2 587601029 PYMMSSFPYVXDKH-GFXGUTMFSA-N 416.473 5.252 0 1 HKAF Cc1ccc(C2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 587604956 WGIRHANKSVENQD-CXSPSCEVSA-N 400.474 5.759 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=Cc3ccc(N)c4cccc2c34)N1 587742813 BCPWJDILQSJSSW-VERVWZFWSA-N 409.302 5.128 0 1 HKAF Cc1cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2cc1F 587782514 NUEKOTYMQBLPIX-UHFFFAOYSA-N 422.503 6.847 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC3CCCC3)cc2)N1 587809694 JCPUHJKHLBYSNW-ZSEKCTLFSA-N 404.323 5.533 0 1 HKAF CCc1cccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587815805 QIUNGALJDBKGCQ-UPCLLVRISA-N 424.357 5.977 0 1 HKAF COc1ccc2occ([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587825862 BAUKAUQPHHTIAV-YBTHPKLGSA-N 404.279 5.141 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)s1 587844507 BKYGNNVIYJWVCU-DGIBIBHMSA-N 422.388 6.310 0 1 HKAF Cc1sc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587848138 ZXDYXICTRDHTNA-NZFNHWASSA-N 419.157 5.344 0 1 HKAF Cc1cccc(-c2nc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cs2)c1 587852716 NEWPBIXFGQWYNO-CWTRNNRKSA-N 417.347 5.644 0 1 HKAF Fc1cc(-n2c(-c3cccs3)ccc2-c2cccs2)c(F)cc1Br 587943675 NAFJLFAMQJMEMR-UHFFFAOYSA-N 422.319 6.975 0 1 HKAF C[C@@H](Oc1ncnc2ccc(-c3cnn(C)c3)cc12)c1c(Cl)ccc(F)c1Cl 653819822 DEZNHJPAZHLOPC-LLVKDONJSA-N 417.271 5.616 0 1 HKAF Cc1ccc([C@@]2(c3ccc(C)cc3C)c3ccsc3CCN2Cc2ccco2)nc1 962699967 BLAHDROIMDMRAX-AREMUKBSSA-N 414.574 6.012 0 1 HKAF CC[C@@H]1S[C@H](C)C[C@]2(NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)[C@H]1C 962950977 FPWVLHWLOXJNGG-ITIOGAGCSA-N 413.549 5.492 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Br)cc2N2CCCC2)N1 962957442 TYOJNJQKHVYBTH-AOMKIAJQSA-N 424.386 5.544 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1cccc(Cl)c1Cl)C(F)(F)F 963231127 QAGVUNBMQRACQX-ORAYPTAESA-N 402.287 6.456 0 1 HKAF Cc1ccc(F)c(NC(=O)Nc2cccc(-c3cc4ccccc4n3C(=N)O)c2)c1 1772586933 RTBVBICBWGDJBL-UHFFFAOYSA-N 402.429 5.741 0 1 HKAF FC(F)(F)c1ccnc(Nc2cc(-c3ccccc3)cc(N3CCSCC3)c2)n1 1772613752 QKMDXQTXHXJYAN-UHFFFAOYSA-N 416.472 5.459 0 1 HKAF COc1ccc(C(C)(C)C)cc1-c1cccc([C@H](CC(=O)O)c2nc(C)c(C)s2)c1 1772634308 LEUGOCPTHUIKAO-NRFANRHFSA-N 423.578 6.340 0 1 HKAF CCOP(=O)(OCC)[C@H](N(O[C@@H](C)c1nccn1C)C(C)(C)C)C(C)(C)C 1857542152 INXHFCOUUUGHJG-RDJZCZTQSA-N 403.504 5.152 0 1 HKAF CC(C)[C@H](CCO)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2356347032 IJSLGIMUXIRGLK-OIJOHJFWSA-N 416.734 8.106 0 1 HKAF CCCCCCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 2356396767 VWHXJDUTSLNOGD-JWQCQUIFSA-N 408.711 8.885 0 1 HKAF CC(C)[C@H](C)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356399681 DGJHBFBQAQKVKB-KWAAJEGVSA-N 414.718 7.737 0 1 HKAF CC(C)(O)[C@@H]1CC=C2[C@H](CC[C@]3(C)[C@@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@@]23C)O1 2356469227 FDYCJJJTQUSEOV-DIONSPKQSA-N 405.582 5.663 0 1 HKAF C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 2356488322 INLFWQCRAJUDCR-AVQAHAAMSA-N 400.647 6.823 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C[C@]2(C)CC(=O)[C@@](C)(OC(=O)C(C)=CC)CCC2=C1C(C)C 2356495975 AABQSYFDCUZGSR-WVQWTBLQSA-N 416.558 5.248 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@H](OC(=O)C(C)=CC)[C@@]2(C)[C@H]1C 2356549811 GEPTVWUAPAVGBV-MEBDUQJUSA-N 414.542 5.625 0 1 HKAF C[C@@H]1CC[C@]2(C)[C@H](C)CCC(=O)[C@]23CC[C@@H]2[C@H](c4c[nH]c5cccc(c45)C2(C)C)[C@H]13 2356727336 FDTRWEJDZJUQIO-VOYGQGDISA-N 403.610 6.991 0 1 HKAF CC1(C)CCC[C@@]2(C)[C@@H]3CCC4=C(C=CN(CCS(=O)(=O)O)C4)[C@]3(C)CC[C@H]12 2356835391 KRFZVTQRVGSQKF-YXPKMTABSA-N 407.620 5.043 0 1 HKAF CC(=CCn1c[n+](C)c2nncc(N)c21)CC[C@]1(C)C2=CCCC(C)(C)[C@H]2CC[C@H]1C 2356856851 SEAURGZSHCIKNY-GOHWNWGWSA-N 422.641 5.363 0 1 HKAF CCCCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3OC)n2)s1 8578705 WQNRHDMSOVOKSR-UHFFFAOYSA-N 416.572 5.846 0 3 HKAF CC(C)=CCN1C(=O)[C@]2(O[C@H](C)CC3=CCC[C@H]32)c2c(Br)cccc21 38142352 WNIVGPRDFFPVKC-IUSZMWJPSA-N 402.332 5.102 0 3 HKAF CC[C@@H](CO)Oc1cc(NCc2ccc(Cl)cc2Cl)c2ncn(C(C)C)c2c1 61948992 IISHUILBGKMJJK-INIZCTEOSA-N 422.356 5.686 0 3 HKAF COc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccsc2)cc1OC 72139206 WKERVTZNEGTANV-UHFFFAOYSA-N 400.503 5.824 0 3 HKAF O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CC[C@H]2C[C@H]1c1cc(Cl)ccc12 102805425 MCLPPSVHCAKTNJ-BTDLBPIBSA-N 402.730 5.270 0 3 HKAF COc1ccc2c(c1)[C@H]([C@@H](Nc1ccc(C)cc1)c1ccc(Cl)cc1)C(=O)N2C 206048885 PBTUFFOCWZAJHP-PKTZIBPZSA-N 406.913 5.570 0 3 HKAF COc1cccc2c1-c1ccc3c(c1[C@@H]([C@H]1C=C(C)CCC1)O2)C(C)=CC(C)(C)N3 1490461 ZOUVODOOOFQPOC-WXTAPIANSA-N 401.550 7.150 0 1 HKAF CC(C)=CCC[C@@H](C)C1=CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C 6491674 QQEBZBZJWRBJTK-LWMHBJGISA-N 424.713 8.089 0 1 HKAF COC(=O)[C@H](C)CCc1cn([C@@H]2c3[nH]c4ccccc4c3CC[C@@H]2C)c2ccccc12 14593482 DVYOBJXLEMOJSO-DFXHWTJYSA-N 414.549 6.036 0 1 HKAF biogenic C[C@@H]1CN(CCc2ccccc2)CC[C@@H]1N(C(=O)c1ccco1)c1ccccc1Cl 26729083 AUFUBWNAAOCRHM-KNQAVFIVSA-N 422.956 5.533 0 1 HKAF COc1c(Cl)ccc2c1[C@@H]1c3cccc[n+]3[C@H]2CC1(c1ccoc1)c1ccoc1 27109693 YAABMDXUEYQMOT-UNMCSNQZSA-N 404.873 5.247 0 1 HKAF CCCC[C@@H]1c2c([nH]c3ccccc23)[C@H]2Oc3c(O)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@H]13 28522462 YLFVOHQBMMEFKC-YPZSREGGSA-N 414.549 5.409 0 1 HKAF COC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 28640972 LPMYMQCMDMYOIV-UHFFFAOYSA-N 406.611 5.328 0 1 HKAF O=C(Nc1c(Cl)cncc1Cl)NC1CCN(CC2=CCCCCCC2)CC1 28708519 JSLPXZSYKVYCES-UHFFFAOYSA-N 411.377 5.255 0 1 HKAF COc1cc(C(=O)O)ccc1Cn1ccc2ccc(NC(=O)O[C@@H]3CC=CCC3)cc21 29477761 BJGVDNZMYWMTAX-HXUWFJFHSA-N 420.465 5.054 0 1 HKAF COC(=O)[C@@H](Oc1ccc2ccccc2c1)c1ccc(Oc2ccc(Cl)cc2)cc1 39242715 PLSMQVFVHXAXRT-DEOSSOPVSA-N 418.876 6.579 0 1 HKAF OC1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12 40429490 GZFSOKPLNMYPCE-AQKKSAQBSA-N 401.337 5.489 0 1 HKAF CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2c(Cl)cccc12 40872571 ZNMZVBFKVVRPET-UHFFFAOYSA-N 416.908 5.720 0 1 HKAF COc1ccc(Br)cc1[C@H]1CNc2cc(C(F)(F)F)ccc2S1 40973939 QBUCWYPAHYNZRD-OAHLLOKOSA-N 404.251 5.735 0 1 HKAF COc1ccc(-c2oc3ccc(C)cc3c2C(=O)c2cc(OC)cc(OC)c2)cc1 72178243 HWVCYVKQCHVBSY-UHFFFAOYSA-N 402.446 5.665 0 1 HKAF CC1(C)CC(=O)c2c(nn(-c3ccc(Cl)cc3)c2-c2ccc(Cl)c(Cl)c2)C1 73223462 ZGDPZCYJFYYGJR-UHFFFAOYSA-N 419.739 6.655 0 1 HKAF COc1cc(Nc2cccn3c(C)c(-c4ccccc4)nc23)ccc1-n1cnc(C)c1 95573338 UWIHFIMRTPGRMQ-UHFFFAOYSA-N 409.493 5.556 0 1 HKAF Cn1cc(-c2cc(C(F)(F)F)ccc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O 146402259 NOVHMCIDCWRHMI-UHFFFAOYSA-N 420.337 5.623 0 1 HKAF CN(CCCCCCN(C)[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 169308301 SIADIGGRMFNBQP-WUIGYTNCSA-N 416.738 6.840 0 1 HKAF Cc1ccc(-c2csc(Nc3cc(-c4ccc(C)cc4)n(C(N)=S)n3)n2)cc1 169350083 MLYSDYWYDGCGFZ-UHFFFAOYSA-N 405.552 5.126 0 1 HKAF Cc1ccc(C(=O)C[C@@H]2CCOC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 169700057 CWHYTYQDAOYTJR-KRWDZBQOSA-N 414.505 5.168 0 1 HKAF Cc1ccsc1S[C@H]1C(=O)C[C@](CCc2ccccc2)(c2ccccc2)OC1=O 169716105 WADIZWXIRXMEIC-XUZZJYLKSA-N 422.571 5.562 0 1 HKAF Nc1cnc(-c2ccc(C3CCC3)c(Oc3cccc(C(F)(F)F)n3)c2F)cn1 224568468 SIFFATOUBBTWBX-UHFFFAOYSA-N 404.367 5.339 0 1 HKAF Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccc(F)cc4)cc-3c2=O)c(C)c1 299820974 IBLRWYQEZFHXMI-UHFFFAOYSA-N 411.480 5.155 0 1 HKAF Cc1ccc(-c2ccc(CNCCNc3ccnc4cc(Cl)ccc34)s2)cc1 299869890 VOPBRYIKANMRHI-UHFFFAOYSA-N 407.970 6.127 0 1 HKAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)[C@@H](C)c1ccccc1 473089010 QDMNMXSHCVTCJG-ODNCIOQYSA-N 417.637 6.740 0 1 HKAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(OCc3ccccc3)cc2[nH]1 586915767 HORDLYCVWPWHIC-RLWLMLJZSA-N 412.489 5.358 0 1 HKAF CC(C)CCOc1ccc(Br)cc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 586981018 DDUASXZSERJUOE-SFHVURJKSA-N 417.307 5.141 0 1 HKAF O=C1c2ccccc2-c2c(Cc3ccccc3)c([C@H]3CCCNC3)nc3ccc(O)c1c23 586989497 LKXKXCAKNVPQJC-SFHVURJKSA-N 420.512 5.210 0 1 HKAF Cc1ccc2c3c(cc(-c4c(F)cccc4-n4cccn4)nc13)-c1ccccc1C2=O 586995641 MWYGGPJUBQFKBM-UHFFFAOYSA-N 405.432 5.746 0 1 HKAF CC(C)(C)c1cccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 586998565 MUMAYFCKAFBBBF-OWBHPGMISA-N 421.338 7.053 0 1 HKAF Fc1cc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2cc1Cl 587002935 ZBBVMZBMILHPHY-UPHRSURJSA-N 409.642 5.060 0 1 HKAF Cc1c(Br)ccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc12 587023640 SCSNYLCIFKLILT-UHFFFAOYSA-N 409.309 5.104 0 1 HKAF Cc1cnc(Cl)c2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc12 587025450 GNERMSIWYGCEAV-OAGGEKHMSA-N 414.962 5.056 0 1 HKAF FC(F)(F)Oc1cc(Br)c2[nH]c(-c3csc4c3CCOC4)nc2c1 587032328 TVJVWCWEEXTZQB-UHFFFAOYSA-N 419.222 5.025 0 1 HKAF Clc1ccc(-c2cccc3ccccc23)cc1-c1nc2ccc3c(c2[nH]1)CCCC3 587050256 GUWUVSDEAGPGQI-UHFFFAOYSA-N 408.932 7.582 0 1 HKAF Cc1cc2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2c(C)n1 587064822 VTBVOJBKCSMLMD-UHFFFAOYSA-N 416.912 5.929 0 1 HKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587070727 VXOUWXZZGFRPMO-SECBINFHSA-N 401.215 6.265 0 1 HKAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(C(F)(F)F)cc(F)cc2[nH]1 587075523 FZPMWBNMPLJTLG-UHFFFAOYSA-N 407.754 5.809 0 1 HKAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(Cl)cc(Br)c2[nH]1 587108662 OAXWXEJZGMZQMG-UHFFFAOYSA-N 419.584 5.363 0 1 HKAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C)cc(F)c4[nH]3)nc2n1 587115667 VQNDDKKXSNKWGW-UHFFFAOYSA-N 423.439 5.476 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc2c1 587120244 DWJVQLXDKJNPDA-UHFFFAOYSA-N 413.119 5.062 0 1 HKAF Nc1ccc(-c2ccc3[nH]c(C(=O)c4c(Cl)ccc(F)c4Cl)nc3c2)cc1N 587133553 RXUWKVOLSKYIKW-UHFFFAOYSA-N 415.255 5.071 0 1 HKAF O=C(O)c1ccc(-c2cc(-c3nc4cc(F)c(F)c(F)c4[nH]3)ccc2F)cc1F 587138402 HNLSFFNSSLYQML-UHFFFAOYSA-N 404.294 5.291 0 1 HKAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc3ccccc3cc2[nH]1 587180006 BUCHWPPZHZRYRZ-LLVKDONJSA-N 416.266 5.155 0 1 HKAF Cc1c(Br)cc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1C 587233344 MQNULZVZVWUDAQ-GXTWGEPZSA-N 408.340 5.103 0 1 HKAF C[C@@]1(c2ncccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331441 QJDODCRDEYRRJJ-GHTZIAJQSA-N 417.358 5.219 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccnc2)[C@H]1c1ccc(F)cc1 587337221 LWKCPWGXMYPCGW-AZGAKELHSA-N 411.432 5.229 0 1 HKAF COc1cccc(C[C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587348041 GEPZXVYCRVPIIR-AHWVRZQESA-N 418.464 5.290 0 1 HKAF CCc1ccc2oc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2c1 587358797 XMXRUWNCOROWLB-AOYPEHQESA-N 416.448 6.114 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc3ccccc3cc21 587407937 LZSLPMVRYXZBIM-HHHXNRCGSA-N 405.453 5.184 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC=C[C@@]5(C)CC[C@@H]43)C1)O2 587410277 ZHUZSMSKGIGZAN-SQLKOJOJSA-N 419.609 6.490 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(C(F)(F)F)c1 587549102 PXOMBQLARQQRKO-XLIONFOSSA-N 404.315 5.253 0 1 HKAF Cc1ccc(-c2n[nH]cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587591200 BMLAHVASKWGPLG-BWKNWUBXSA-N 412.445 5.102 0 1 HKAF CCOC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1cccc(C(F)(F)F)c1 587624433 MBNJNQNMCNSSBP-UHFFFAOYSA-N 409.791 5.556 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nc3ccccc3n2C(F)F)N1 587719574 QTSUVYHPVZWNFD-GIGQVBGESA-N 424.264 5.131 0 1 HKAF CC[C@]1(c2ccccc2OC(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587722023 XOYBUHGAMRVXCW-NSPYISDASA-N 414.265 5.377 0 1 HKAF Cc1ccc(-c2cnc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1C 587776538 XVAMIZTWWUXMHU-RBZFPXEDSA-N 415.306 5.484 0 1 HKAF Cc1ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2n1 587784672 ULINRDKTMACFNB-UHFFFAOYSA-N 405.501 6.103 0 1 HKAF CO[C@@H]1C[C@H](c2ccccc2)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587812289 QCANYHXTBJMFRC-SLBVSICGSA-N 418.350 5.300 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3cccc4c3c2CC4)N1 587815533 NLVXCHCXYBTYOI-JCQPUDPBSA-N 410.330 5.638 0 1 HKAF Cc1cc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C=O 587815813 QKFGHPUCFRHKCI-YEJXKQKISA-N 404.323 5.124 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccc(C(C)(C)C)cc2)N1 587821016 SFMFBPPJQJEVFD-SZNDQCEHSA-N 404.367 6.094 0 1 HKAF Cc1oc2ccc(O)cc2c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587828185 MPQPNTRXQCJIHW-WVDJIFEKSA-N 404.279 5.146 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)COC(C)(C)O3)N1 587828871 ANUWSYDYBFIMBS-XUSGNXJCSA-N 420.322 5.031 0 1 HKAF CCc1ccc2nc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)sc2c1 587864173 MGJFQHRCVGNFSL-UHFFFAOYSA-N 403.429 5.739 0 1 HKAF COc1ccc([C@@H](c2ccccc2)c2nc3c(C)c(Br)cnc3[nH]2)cc1 587931552 AOCMKVRDCGYBSR-GOSISDBHSA-N 408.299 5.218 0 1 HKAF CC/C(=C/c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccc(C)cc1 587967109 LDFLVQQXOFJSDN-BENRWUELSA-N 409.249 6.603 0 1 HKAF COc1ccc2c(c1OC)[C@@H](c1csc(-c3ccccc3Cl)n1)N(C)[C@@H](C)C2 962615995 AVZWIUIEWVURCA-RNODOKPDSA-N 414.958 5.447 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CC)(c2cc(Br)c(C)s2)N1 962953251 LAICRJCRRKOEGC-RNODOKPDSA-N 403.389 5.878 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(C)cc2)(c2ccc(Cl)nc2)N1 962958275 PLWGVHZMJYGEGQ-KBMIEXCESA-N 401.941 5.741 0 1 HKAF FC1(F)Oc2cccc([C@H]3NCCc4c(Cl)cc(Cl)cc43)c2OC1(F)F 963109024 OROSLYFPELJFNC-CQSZACIVSA-N 408.178 5.185 0 1 HKAF C[C@]1(c2c(Br)ccc(Cl)c2F)NCCc2c(Cl)cc(Cl)cc21 963114114 WMWCKGWAUGYMQA-INIZCTEOSA-N 423.540 5.958 0 1 HKAF CCN1CCN([C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccn2)CC1 1857601768 WLWZCLIYGFDPGU-HSZRJFAPSA-N 409.618 5.109 0 1 HKAF CC(C)C[C@@H]1Oc2cc(O)ccc2-c2oc3c4c(cc(O)c3c(=O)c21)OC(C)(C)CC4 1857635582 KBUDRRPKSYYYAG-IBGZPJMESA-N 422.477 5.454 0 1 HKAF CC(=O)CCc1c(-c2ccccc2Cl)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3 1857753476 NLHXOBIGXHVHKO-UHFFFAOYSA-N 424.880 5.525 0 1 HKAF COC(=O)c1c(O)cc(OC)cc1CCCCCCCCCCCCC[C@@H](C)O 2356409757 RHDMQXOOPXCMPH-LJQANCHMSA-N 408.579 5.792 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)C[C@H](C)[C@@H]4[C@H]3CC[C@]12C)C(C)C 2356681979 LAGFCVRVICMFFF-QKPNFYDSSA-N 414.718 8.169 0 1 HKAF C=C1CC[C@H](Br)C(C)(C)[C@@H]1Cc1cc(O)c(Br)cc1O 1612856 OVQUXMIHRFSOJM-ABAIWWIYSA-N 404.142 5.159 0 1 HKAF biogenic O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 3171149 QAYLXIFJXHEVGA-UHFFFAOYSA-N 416.148 5.961 0 1 HKAF Cc1cc(C)c(NC(=S)N(CCCN2CCCCC2)Cc2cccs2)c(C)c1 3665569 OIINTVSFJMRVOM-UHFFFAOYSA-N 415.672 5.748 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(Cl)c(C)c1)Oc1ccc(F)cc1-3 3828609 NPDSJEIIHNPHHF-VWLOTQADSA-N 419.927 7.544 0 1 HKAF O=C1NCc2c(-c3ccccc3Cl)cc(O)cc2N1c1c(Cl)cccc1Cl 14962904 KLSIEXRQFXOAFE-UHFFFAOYSA-N 419.695 6.381 0 1 HKAF COC(=O)[C@H]1CC(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)=CC[C@H]1C(=O)OC 26574914 MRKGZZRVSSGZIK-ZQRMPTRQSA-N 422.650 6.724 0 1 HKAF O=C(O)CC[C@@H](Cc1ccc(OCc2ccc3ccccc3n2)cc1)c1ccccc1 26722650 FYQQKKWEXPVKTH-QHCPKHFHSA-N 411.501 6.005 0 1 HKAF COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1ccc2ccccc2c1)C(F)(F)F 28862452 MHSIIOXPCQMXQE-HSZRJFAPSA-N 420.446 6.191 0 1 HKAF CCN(Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12)CC1CC1 28903741 PJQONEJPUMEPON-UHFFFAOYSA-N 421.976 5.484 0 1 HKAF Cc1nnc(NCc2cccnc2-c2ccsc2)n1-c1cccc(Cl)c1Cl 29126364 SMJNWZUHIGQMEW-UHFFFAOYSA-N 416.337 5.618 0 1 HKAF COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C4CCCC4)c3n2)cc1 35997549 IMFVPVKPQOQCBY-UHFFFAOYSA-N 418.476 5.576 0 1 HKAF in-vitro CC(/C=C/C1=CCCCC1(C)C)=C\C=C\C(C)=C\COC(=O)c1c(O)cccc1O 40394756 YHRULDMRTRRDEW-KLCFJSLKSA-N 408.538 6.396 0 1 HKAF COc1cc(NC(=O)c2ccc(C3CCCCC3)cc2)ccc1O[C@H]1CCN(C)C1 40575988 SYLMCKIDPXBTJT-QFIPXVFZSA-N 408.542 5.078 0 1 HKAF CC1CCC(CCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)CC1 45260693 WDNSSDFBUPTPTP-UHFFFAOYSA-N 419.653 6.631 0 1 HKAF CC(=O)Nc1ccc(OC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)cc1 45386605 ISIXBLAJIFBMQC-UHFFFAOYSA-N 415.371 5.022 0 1 HKAF CCCCCCC(C)(C)c1cc(OC)c([C@@H]2[C@H]3CC[C@@](C)([C@@H]2O)C3(C)C)c(OC)c1 72315127 VTTPPQRKLCGACC-UGBHYRCPSA-N 416.646 6.852 0 1 HKAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NCC3CCCCC3)nc2-c2ccccc2F)C1 82152007 ZNUJATPOFKKAFW-HDICACEKSA-N 424.564 5.393 0 1 HKAF CCC(CC)c1nc2c(NCc3cccc(Cl)c3)ncnc2n1C[C@H]1CCCO1 82181375 KIJVELZNXSTVBQ-GOSISDBHSA-N 413.953 5.174 0 1 HKAF O=C(c1nc(-c2ccc(Cl)cc2)c2cc(Cl)ccc2n1)N1CCCCCC1 84711263 LUSMWPNZMMQNLP-UHFFFAOYSA-N 400.309 5.620 0 1 HKAF CCc1nn2c(-c3c(C)cc(C)cc3OC)cccc2c1N(CCCF)CC1CC1 84740671 DVIYUFCDOUYVPY-UHFFFAOYSA-N 409.549 5.765 0 1 HKAF CCCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc(C)s1 100703677 KCMQPVBVTIQUDN-INIZCTEOSA-N 415.584 5.904 0 1 HKAF CC(C)=CCC/C(C)=C/C=C/C1=C[C@@]2(C)C[C@@]1(C)[C@H](/C=C(\C)CCC=C(C)C)CC2=O 102673343 XWYRFBXKAWNVEG-JBKGDHSWSA-N 420.681 8.860 0 1 HKAF Cc1ccc(-c2cc(C(=O)Oc3ccc(C(C)(C)C)cc3)nn2Cc2ccccc2)cc1 103184754 HWYMQUCPSNBTSW-UHFFFAOYSA-N 424.544 6.424 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2cccnc2)C[C@@H](c2ccc(Cl)cc2)C1 104695074 RAZVJQYKUPXGSK-MZNJEOGPSA-N 401.897 6.364 0 1 HKAF CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N1 104697285 NNAXDYUWSTUMTD-QFIPXVFZSA-N 422.475 6.048 0 1 HKAF Clc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1Cl 140180345 YCYDGKBZNLZVGS-UHFFFAOYSA-N 407.304 5.602 0 1 HKAF CC(C)N(C(=O)[C@@H]1C[C@@H]2CC[C@H]3[C@@H]4CCC(=O)N(C)[C@@]4(C)CC[C@H]3[C@@]2(C)C1)C(C)C 169339934 VMAUAPIAAHKASV-SKVNHLADSA-N 416.650 5.111 0 1 HKAF C[C@H](c1cc(F)c2ncccc2c1)n1cnc2ncc(-c3cccc4ccccc34)nc21 222084611 WGVAYOBTLYZQFK-MRXNPFEDSA-N 419.463 5.943 0 1 HKAF CC(C)=C1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C 255201671 CBZFLMNNXKRPHN-MEZPGVHJSA-N 410.730 9.198 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 255221951 JWANJDUXWSJWER-BYTFQFHGSA-N 412.702 8.233 0 1 HKAF O[C@H](c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1)c1cccc2ccccc12 299869841 VLAKSARCMBLWCU-RSZUIEEWSA-N 419.568 6.938 0 1 HKAF CCCCOc1cc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586885042 TYVHCALRNURMKO-FQSKDFRHSA-N 403.364 5.972 0 1 HKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(C(=O)O)cc2[nH]1 586982006 GUMNRMFVRHMZAO-OAHLLOKOSA-N 401.304 5.396 0 1 HKAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(Sc3ccccc3)cc2[nH]1 587012211 PUSOSFHNMCKPCK-UHFFFAOYSA-N 413.571 6.737 0 1 HKAF Cc1cnc(Cl)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc12 587025446 GNERMSIWYGCEAV-JYJNAYRXSA-N 414.962 5.056 0 1 HKAF Clc1cccc(OCc2ccc(-c3nc4c5c(ccc4[nH]3)CCCC5)o2)c1Cl 587054698 AUMSNAZRPSLJKN-UHFFFAOYSA-N 413.304 6.588 0 1 HKAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587065463 RBSFJWWBFZRTBO-UHFFFAOYSA-N 419.186 5.289 0 1 HKAF Oc1ccccc1-c1cc(-c2nc3cc4ccccc4cc3[nH]2)c2cccc(Cl)c2n1 587082489 PVDYHTVVZRRDKN-UHFFFAOYSA-N 421.887 6.957 0 1 HKAF Fc1cc(Br)cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc12 587084328 YMFWYBWGDNMELR-UHFFFAOYSA-N 402.654 5.847 0 1 HKAF FC(F)(F)c1cc(Cl)c2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2c1 587084630 DXKUVVRKPAMVCX-UHFFFAOYSA-N 409.198 6.013 0 1 HKAF FC(F)(F)c1ccc(Oc2ccc(-c3nc4c(cnc5ccccc54)[nH]3)cc2)cc1 587113100 RNHHHSDDNVDZDM-UHFFFAOYSA-N 405.379 6.589 0 1 HKAF Cc1cncc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 587113202 ZJDAUXPPJVSJLB-UHFFFAOYSA-N 421.344 6.638 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C(C)(C)C 587204862 MQXLVUAHZFTPNU-ZDUSSCGKSA-N 403.420 5.203 0 1 HKAF COc1c(C)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C 587348593 HBIDNSQYQBFSHM-WIOPSUGQSA-N 406.453 5.431 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ncc[nH]2)(C2CCCCC2)[C@@H]1c1ccc(F)cc1 587350602 XLEUQDDGNMXXGK-QPPBQGQZSA-N 406.457 5.089 0 1 HKAF Cc1ccccc1[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351080 FYMIGLHLONKGIE-OZXSUGGESA-N 404.481 6.140 0 1 HKAF Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)sc2ccccc12 587374068 NSVQPICFIVPMRE-RCZVLFRGSA-N 418.489 6.329 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1cc(Cl)cc(Cl)c1)CC2=O 587461515 KMZCRNVCKFOGON-NRFANRHFSA-N 416.304 6.149 0 1 HKAF O=C(O)c1ccccc1[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500421 BTBRYBMXOFGLCC-SANMLTNESA-N 416.448 5.312 0 1 HKAF O=C1C[C@@H](c2cc(Cl)ccc2OCc2cccnc2)Oc2c1ccc1c2CCCC1 587503415 ULPCAWYZRRSKNO-DEOSSOPVSA-N 419.908 5.899 0 1 HKAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN1CCC(C)CC1 587514835 PQBHWTKUNPKAIB-AREMUKBSSA-N 419.565 5.512 0 1 HKAF Cn1c(Oc2ccccc2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587515385 LWHVXEYQIHOXGZ-RUZDIDTESA-N 423.512 6.556 0 1 HKAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(=O)c1ccco1 587533637 RXUVAAPVJHTCLW-QFIPXVFZSA-N 418.445 5.093 0 1 HKAF C[C@@]1(Cc2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547040 RZTASFXTWKBMAF-KNQAVFIVSA-N 415.272 5.662 0 1 HKAF Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1 587612757 NBHXXHPFMYCSLL-RCZVLFRGSA-N 414.482 6.132 0 1 HKAF COc1ccc2sc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1 587617591 KRPMMNPIBHOALV-REWPJTCUSA-N 404.443 5.318 0 1 HKAF Cc1cc(Cl)cc2c(Nc3ccc(Br)cc3)c(-c3ccccc3)[nH]c12 587624131 YBOJKPHYAVWBKE-UHFFFAOYSA-N 411.730 7.303 0 1 HKAF Cc1cc(Cl)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1Cl 587695918 SNHUGUFOWPPURT-HUTHGQBESA-N 403.122 5.827 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2F)N1 587713416 CFZIKAHJYBQVCX-VPTHRUTESA-N 417.091 5.113 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SC(F)(F)F)cc2)N1 587714761 AWFWXICSPGKFRW-JDNHERCYSA-N 420.269 5.824 0 1 HKAF Cc1cc(OC(F)(F)F)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587722884 UNZKFVYPBLJAKF-BMLIUANNSA-N 418.228 5.419 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccs3)cc2F)N1 587725722 RTQSKKPBQLUPNM-YBTHPKLGSA-N 420.322 6.079 0 1 HKAF Cc1cc(C)cc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587753467 JBWYJMNVNMHMNW-OYHNWAKOSA-N 413.334 5.619 0 1 HKAF CCC[C@@H](CC1(c2nc3cc(F)cnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781346 IJDOESUMRIDDLI-SFHVURJKSA-N 409.505 5.459 0 1 HKAF CCOC(=O)Cc1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783861 HNXUYHIBXYTXGW-RVDMUPIBSA-N 412.489 5.418 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC1CC1 587806498 JKYPAOJFQFMEAK-ZSEKCTLFSA-N 404.323 5.309 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc(C=O)sc3s2)N1 587856487 IEKCKDULKOJKDN-BCTVWOGZSA-N 410.333 5.301 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c[nH]c(=N)[nH]c-2n1 587962553 YNJOIVVRMKWPCM-UUQHCRCUSA-N 419.617 6.571 0 1 HKAF CCN(CC)CCN1CCC2(N(C)C)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 653862731 HBLUYRQMOSSYET-DZKOAGKBSA-N 419.657 5.064 0 1 HKAF CCc1ccccc1-n1ccc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)c1 961318342 GISRGGWIPNENGL-QFIPXVFZSA-N 407.355 5.570 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@@]12CCCC[C@@H]2C(=O)c1ccccc1 962398389 NGJROJXMBFOGPG-RCZVLFRGSA-N 404.579 5.413 0 1 HKAF O=C([C@@H]1Cc2ccccc2[C@]2(CCCc3c2sc2ccccc32)N1)C(F)(F)F 962772184 VPOXNEYLHZKZTP-UWJYYQICSA-N 401.453 5.127 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(C=C(c3cccc(O)c3)Oc3ccccc32)N1 962950396 MUOUYXUUJVRBDC-XRHLQHRESA-N 408.501 5.475 0 1 HKAF Cc1sc2c(c1C)CCN[C@@H]2c1c(Br)cccc1Br 963010367 NORWQZIBSHHKKJ-CQSZACIVSA-N 401.167 5.125 0 1 HKAF Cc1cccc2c1[C@@]1(CCCCC1(C)C)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963905643 ZAXDHARVSHVODI-HOYKHHGWSA-N 401.547 5.427 0 1 HKAF FC(F)(F)Oc1ccc(Oc2ccc(CN3CCC4(CCCCO4)CC3)cc2)cc1 1857653130 ZAOQNBXPMMGFEA-UHFFFAOYSA-N 421.459 5.913 0 1 HKAF Cc1cccc(Cn2c3ccccc3c3cc(CO)nc(-c4c[nH]c5ccccc45)c32)c1 1857656845 MTAYIWXFIWMYAZ-UHFFFAOYSA-N 417.512 6.187 0 1 HKAF CCOC(=O)CC(=O)OCC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CCc1ccoc1 2356454159 BBVMQJIDBJNEFS-OVNWYXPRSA-N 416.558 5.488 0 1 HKAF C[C@@H]1c2ccoc2C[C@@H]2[C@@H]1C[C@H](OC(=O)c1ccccc1)[C@@]1(O)C(C)(C)CCC[C@@]21C 2356516511 ZZXWDPBNAKZNOO-DDVZXEBUSA-N 422.565 5.748 0 1 HKAF C[C@@H]1CC[C@]2(C)[C@@H]3CC=C4[C@@]5(C)CC(C)(C)CC[C@@]5(C)CC[C@]4(C)[C@H]3CC[C@@H]2C1(C)C 2356550093 KZDKZGPACCJOQH-HGFFFQQNSA-N 424.757 9.444 0 1 HKAF CCC[C@@H]1[C@]2(C)C[C@H](O)[C@H]([C@H](C)N(C)C)[C@]2(C)CC[C@]12C[C@@]21CC[C@H](N)C(C)(C)C1 2356583473 UVVUDBUSZSDPJI-PUPOFOAZSA-N 418.710 5.454 0 1 HKAF c1ccc(Oc2ccc(-c3cc(NCCc4cccnc4)n4nccc4n3)cc2)cc1 61927627 SRQCVRKAUKZXMW-UHFFFAOYSA-N 407.477 5.238 0 3 HKAF COc1ccc2c(c1)[C@@H](n1ccc3ccccc31)C(=O)N2Cc1ccc(C(C)C)cc1 206026822 PIMJUIQOGXKNQK-AREMUKBSSA-N 410.517 5.910 0 3 HKAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cccnc1SCc1cccc(Br)c1 3021371 UZQRVIQYASHRIT-KDOFPFPSSA-N 419.388 5.445 0 1 HKAF CCC(=O)[C@H]([C@H](C)/C=C/CCSc1ccccc1)[C@H](O)CCCCCC(=O)OC 5842158 NLKNRIQOWCDPRF-GMVJJRLYSA-N 420.615 5.441 0 1 HKAF CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 13553397 MWQRRJIWTQYSPY-UHFFFAOYSA-N 419.400 6.657 0 1 HKAF CCC(=O)N(c1ccccc1)[C@@H]1CCN2C[C@H](c3ccccc3)c3ccccc3[C@@H]2C1 27995350 ASBWZSLPLOXCAV-MVNQZMKCSA-N 410.561 5.781 0 1 HKAF COc1cc(Nc2nnc(Cc3c(Cl)cccc3Cl)o2)c(Cl)cc1Cl 28862895 AXNGZPGTTUBLFN-UHFFFAOYSA-N 419.095 6.026 0 1 HKAF O=C(Nc1ccc(Cl)c(C(=O)Nc2cccnc2)c1)c1cccc(C(F)(F)F)c1 35827163 RJRVAEFJVUKEER-UHFFFAOYSA-N 419.790 5.258 0 1 HKAF COc1ccccc1CN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 38253378 XSAPJYHPDNRSJN-RUZDIDTESA-N 406.957 5.256 0 1 HKAF O=C(Nc1ccc(O[C@@H]2CCN(Cc3ccsc3)C2)c(Cl)c1)c1ccsc1 45201526 YBXBFUYXYCCMGP-QGZVFWFLSA-N 418.971 5.369 0 1 HKAF CCc1nc(Nc2cccc3c2C[C@H](O)CC3)oc1-c1ccc(C(F)(F)F)cc1 53313127 MKRYQIRCHQRSKG-MRXNPFEDSA-N 402.416 5.516 0 1 HKAF CCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1c(C)nn(-c2ccccc2)c1Cl 64437286 YQAUXLMJQRAUAJ-HXUWFJFHSA-N 406.917 5.230 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 84605370 NGCDFLLKUVHKMH-RTBOGHNYSA-N 416.650 5.111 0 1 HKAF CCOP(=O)(OCC)[C@@H](Cc1cccc(OC)c1)c1sc2ccccc2c1C 84635469 PGDONWXUSQVACW-FQEVSTJZSA-N 418.495 6.768 0 1 HKAF Cc1nc(SCc2ccc(-c3cccc(-c4nnn[nH]4)c3)cc2)c2ccccc2n1 95602441 RISOBJZBNXIXMV-UHFFFAOYSA-N 410.506 5.078 0 1 HKAF CCn1cc/c(=N\c2ccc(Oc3ccc(Cl)cc3)cc2)c2ccc(Cl)cc21 96909072 LXEUSBUCFFWDMF-XTCLZLMSSA-N 409.316 6.993 0 1 HKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(Oc2ccc(Br)cc2)nn1 103193098 QAVVJNSDYGGRDF-UHFFFAOYSA-N 409.205 6.026 0 1 HKAF CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1cccc(F)c1 103229143 UQYFFONPGVRBOR-UHFFFAOYSA-N 401.758 5.291 0 1 HKAF O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(-c2cnc3ccccc3c2)c1 113794492 LBOIFUCSTNEHID-UHFFFAOYSA-N 402.837 5.506 0 1 HKAF O=C(O)c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2Oc2ccccc2)cc1 143190456 NEALAIJHPXEQSU-UHFFFAOYSA-N 402.233 5.736 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccc(C)cc2)cc1)C3 195307016 VRRMSKNGCUBGOY-WHGQNQPJSA-N 401.550 5.339 0 1 HKAF CC(C)CCC[C@@H](CO)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255253984 OJUSVVMRDIXPCC-HWUODZQRSA-N 402.663 6.361 0 1 HKAF CC[C@H](CC[C@@H](C)[C@@H]1C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1)C(C)C 255269446 SXXCAAVOWOSERF-KZTUFGNRSA-N 414.718 8.025 0 1 HKAF Cc1c(Cl)ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 587017627 OCKOUMIPFDJKEI-UHFFFAOYSA-N 424.776 6.063 0 1 HKAF FC(F)(F)Sc1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 587017673 OLSCICIUOBINCN-UHFFFAOYSA-N 419.453 5.900 0 1 HKAF N[C@@H](Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccccc1Cl 587057605 QBHITYCSQPSMFA-LBPRGKRZSA-N 418.644 5.240 0 1 HKAF FC(F)(F)Oc1cc2nc(CNc3ccccc3Cl)[nH]c2cc1Br 587061939 LXSTWKWHBSIPMB-UHFFFAOYSA-N 420.616 5.490 0 1 HKAF FC(F)(F)Oc1cccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 587064178 CKOCKJYSQMXEQE-UHFFFAOYSA-N 408.763 5.954 0 1 HKAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587078733 AOUANJLUBJKKSE-CYBMUJFWSA-N 413.230 5.612 0 1 HKAF Cc1c(Br)cccc1Cc1cnc2cccc3c2c1-c1ccccc1C3=O 587101081 CUVQVPBQSWRVDF-UHFFFAOYSA-N 414.302 6.108 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(Br)cs4)nc13)-c1ccccc1C2=O 587103305 VXQAQCTZNDWLKE-UHFFFAOYSA-N 406.304 6.246 0 1 HKAF COc1cc2c(cc1Cl)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331330 PHXBYNKDOGVWHG-LADGPHEKSA-N 424.855 5.394 0 1 HKAF C[C@@]1(c2cc3cc(F)ccc3[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335012 NLFRJBBVQUKZHE-VWNXMTODSA-N 405.400 5.426 0 1 HKAF CC(C)Cc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587351105 GAYGZDHWVZPGIJ-AOYPEHQESA-N 404.481 6.004 0 1 HKAF CC(C)(C)[C@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357942 XEXNPIVEYGYROY-JYFHCDHNSA-N 404.481 5.918 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCc3c(Br)cc(F)cc31)CC2=O 587469581 AUWXLBCEQUNIID-HXUWFJFHSA-N 405.263 5.053 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3cccs3)c(OC)c1)CC2=O 587492133 AWYBLYIJUAUWBO-JOCHJYFZSA-N 424.518 5.700 0 1 HKAF O=C1C[C@H](c2ccccc2-c2ccccc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587504070 DYLUETQNHKAJEC-XMMPIXPASA-N 422.446 6.958 0 1 HKAF O=C1C[C@@H](c2cnn(-c3cccc(C(F)(F)F)c3)c2)Oc2c1ccc1c2CCCC1 587505518 HLKJMLKDASHQIF-NRFANRHFSA-N 412.411 5.476 0 1 HKAF O=C1C[C@@H](c2c(C(F)(F)F)cc(Cl)nc2Cl)Oc2c1ccc1c2CCCC1 587506438 JQPIJLYYMCMQCT-AWEZNQCLSA-N 416.226 5.993 0 1 HKAF Cc1nn(-c2ccc(F)cc2F)c(C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587509148 XJTBKYITNFBICO-QFIPXVFZSA-N 408.448 5.353 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCNc1ccc(Cl)cc12 587551644 HZJUCXMGDWRVEP-REWPJTCUSA-N 407.853 5.108 0 1 HKAF O=C(c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc(Cl)c(F)cc12)C(F)(F)F 587629162 WYVXGRWEQLIPQI-UHFFFAOYSA-N 410.581 6.679 0 1 HKAF COc1cc(C=O)ccc1Oc1c(-c2ccccc2Cl)[nH]c2c(C(=O)O)cccc12 587638105 JFFVUKGVFCQYID-UHFFFAOYSA-N 421.836 5.800 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3c(Cl)ccc(F)c3Cl)c2c1 587643175 SILNKEGOCFYFGG-SNVBAGLBSA-N 422.283 6.145 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2c(Cl)cccc2Cl)N1 587691616 HAHQWUFEDCNIDQ-QLJPJBMISA-N 417.149 6.103 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2cccc(C(F)(F)F)c2)N1 587710047 BNGNZLRMGBCSSD-BQJDTNMYSA-N 414.240 5.896 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)c(F)c(F)c(F)c2F)N1 587720128 MRXFFASOAFTAIF-DDNLTXGXSA-N 424.182 5.081 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C2\N(C)c3ccccc3C2(C)C)N1 587768493 KFLZCAJXOYZIBX-NWICYPSMSA-N 415.350 5.475 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(C=O)c2)(C2CCCC2)N1 587821193 TUWLFBSYWXKZSO-RCDICMHDSA-N 416.334 5.369 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2sc(C(C)(C)C)cc2N)N1 587842843 GOTRCCFXLWTPGM-DGIBIBHMSA-N 411.384 5.327 0 1 HKAF Cc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)s1 587844506 BKYGNNVIYJWVCU-APBUJDDRSA-N 422.388 6.310 0 1 HKAF COc1ccc(CN(C)c2nc(O)c(C)c(Cc3c(Cl)cccc3Cl)n2)cc1 653743760 MRMQXYKAPMAYOL-UHFFFAOYSA-N 418.324 5.033 0 1 HKAF COc1ccc2c(c1)[C@]1(CCC=C(NNc3ccc(Cl)cc3)C1)N(C(C)C)CC2 962095688 ZLWJZVNTRKSRRA-XMMPIXPASA-N 411.977 5.495 0 1 HKAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@@]21C=C[C@H](C(F)(F)F)CC1 962956614 MCLSZIFSORREEE-SCLBCKFNSA-N 405.382 5.081 0 1 HKAF Cc1ccc([C@@]2(C3CCCC3)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)o1 962959301 QZWGCQADTDPDAR-QHCPKHFHSA-N 419.487 5.692 0 1 HKAF Cc1ccc([C@]2(c3cc(Cl)cc(Cl)c3)NCCc3c(C)ccnc32)cc1Cl 963067913 AVLBFLVKNFVPCC-JOCHJYFZSA-N 417.767 6.096 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCCCOC)c1ccc(C(F)(F)F)cc1 963245145 ZWLDUKCTDJYMRL-DVECYGJZSA-N 419.531 6.422 0 1 HKAF Oc1ccc2c(c1)[C@](CCc1ccc(F)cc1)(c1c(Cl)cccc1Cl)NCC2 963340750 HVSOUCUXYQAHRE-HSZRJFAPSA-N 416.323 5.860 0 1 HKAF CCC(CC)C(=O)NC[C@@H]1C=C(C)[C@@H](Cc2nc3ccc(C)cc3[nH]2)C[C@H]1C(C)C 2356286510 AHQDAKKMUBBDSI-FSSWDIPSSA-N 409.618 5.821 0 1 HKAF CC(C)=CCCC(C)=CCc1cc([C@H]2CC(=O)c3c(cc(O)c(C)c3O)O2)ccc1O 2356423229 RILNWSNLVSDZNW-HSZRJFAPSA-N 422.521 6.054 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C=C2C(=O)O[C@H](c3ccoc3)C[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12 2356467930 KNVFODWKKUZNMG-ZAZYSFHNSA-N 412.526 5.534 0 1 HKAF CC(=CCCC(C)=CCOC(=O)C=CC(=O)O)CCC=C(C)CCC=C(C)C(=O)O 2356681595 ZGKBVLVSZSECNY-UHFFFAOYSA-N 418.530 5.381 0 1 HKAF COC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(Cc3cccc(Cl)c3)n2c1 95566483 AARZVBPNSPZUTC-UHFFFAOYSA-N 411.288 5.686 0 3 HKAF COc1cc(Cc2nc3ccccc3n2[C@H](C)c2nc3ccccc3[nH]2)cc(OC)c1 95605697 FINVWVCANUEILL-MRXNPFEDSA-N 412.493 5.130 0 3 HKAF CC(C)c1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCC(C)(C)CO)cc1 775236 ZSKUGUGJIMEQQT-UHFFFAOYSA-N 410.489 5.019 0 1 HKAF C[C@H]1C[C@]2(C)Oc3ccccc3[C@@H]3OC[C@@]1(COC(=O)Nc1ccccc1)[C@@H](C)[C@@H]32 1057584 UONFBIWUOHBYQS-QTLDXMDBSA-N 407.510 5.436 0 1 HKAF Cc1oc(C2CCCCC2)nc1Cc1cc2cc(C[C@@H]3SC(=O)NC3=O)ccc2o1 1483009 XXKAXTNORXWSNL-FQEVSTJZSA-N 424.522 5.262 0 1 HKAF C[C@H]1CCCN1C(=O)c1ccc(-c2ccc(OCCCN3[C@@H](C)CC[C@@H]3C)cc2)cc1 1552808 MQLACMNFOCBPJF-FKBYEOEOSA-N 420.597 5.620 0 1 HKAF COc1cccc2c(N(C)c3ccccc3C)nc(Nc3ccc(F)cc3C)nc12 13742295 DWHCDLUAZMCOJR-UHFFFAOYSA-N 402.473 5.906 0 1 HKAF O[C@H](CCCN1CC[C@H]2[C@@H](C1)c1ccccc1N2c1ccccc1)c1ccc(F)cc1 26187417 YYTDSKXSYPHJOS-DOEKTCAHSA-N 416.540 5.649 0 1 HKAF CCOc1cc2c(cc1OC(C)=O)CCC[C@H]1[C@@H]3CC[C@H](OC(C)=O)[C@@]3(C)CC[C@@H]21 26491290 HWAVFONLHJLREU-FEBYWIKYSA-N 414.542 5.189 0 1 HKAF CC(C)N1C[C@H](C(=O)OC2CCCCC2)C[C@@H]2c3cccc4c3c(cn4C(C)C)C[C@@H]21 27518605 FOLARUZJASFCGU-XRODADMRSA-N 422.613 5.837 0 1 HKAF Cn1cc(-c2ccccc2Cl)c([C@H](c2ccc(Cl)cc2Cl)n2ccnc2)c1 28471394 FUGSXPGNPCJSFO-NRFANRHFSA-N 416.739 6.487 0 1 HKAF O=c1cc(N2CCOCC2)oc2c(-c3cccc4c5c(sc34)CCCC5)cccc12 28529975 LLPTWYAVHXNSIY-UHFFFAOYSA-N 417.530 5.390 0 1 HKAF Cc1ccc(-c2nn3c([C@@H](C)c4ccc(-c5ccccc5)cc4F)nnc3s2)cc1 28654618 SXMRMHYXRUEVST-INIZCTEOSA-N 414.509 6.119 0 1 HKAF FC(F)(F)c1ccc(Nc2ncnc3sc(Nc4ccccc4Cl)nc23)cc1 40876238 BBQPIILAENKTBC-UHFFFAOYSA-N 421.835 6.246 0 1 HKAF c1cncc(CCNCc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)c2)c1 45189703 FOJFSOQICYYOKB-UHFFFAOYSA-N 410.546 5.686 0 1 HKAF O=C(C1CCCC1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2Cl)CC1 49049964 YJWNGKRHJQYLRY-QFIPXVFZSA-N 417.380 5.417 0 1 HKAF CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 58638566 KLHKSHYQHUZTRU-QGZVFWFLSA-N 407.297 5.298 0 1 HKAF CN1CCCc2ccc(NC(=O)/C=C\c3ccc(-c4ccc(F)cc4F)o3)cc2C1 64585831 YBVAQQMFAWHBSH-FLIBITNWSA-N 408.448 5.255 0 1 HKAF O=C(Nc1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1)C1C2CC3CC(C2)CC1C3 71331347 CFPMZAOJUGXNAC-UHFFFAOYSA-N 405.929 5.894 0 1 HKAF O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(Cl)nc1Cl 96926874 MMRWGIXQQYNOIZ-UHFFFAOYSA-N 400.290 5.917 0 1 HKAF CC[C@@](O)(c1ccc(-c2ccccc2)cc1)c1cc2cc(-c3ccccc3)ccc2o1 103180697 LTWFIBRVPYAIDL-GDLZYMKVSA-N 404.509 7.413 0 1 HKAF Cc1ccc(-c2cnnc(N3CC[C@H](c4cccc(OCc5ccccc5)c4)C3)n2)o1 103226978 VVYVJRGYGKMYHQ-NRFANRHFSA-N 412.493 5.013 0 1 HKAF O=C(Nc1cccc(Oc2ccc3c(/C=C/c4ccco4)n[nH]c3c2)c1)c1ccccc1 167023987 DWKBKZYNVMDRPR-WYMLVPIESA-N 421.456 6.371 0 1 HKAF COc1cccc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccc3nccnc3c2)c1 218301630 CATIVMWMXRPYNS-DEOSSOPVSA-N 408.461 5.156 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 255264443 SGNBVLSWZMBQTH-KFJCGTKUSA-N 400.691 7.635 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 586880231 NUCVDDNKFKUFQG-UHFFFAOYSA-N 400.434 5.065 0 1 HKAF Cc1ccc(NC(=O)CSCCc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 586971492 YFGKDUBGFFUERY-UHFFFAOYSA-N 417.534 5.578 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(Cl)cc(Cl)c4O)nc13)-c1ccccc1C2=O 586993331 KJALIHYEARGVEI-UHFFFAOYSA-N 406.268 6.434 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1cccc(C(F)(F)F)c1C4)-c1ccccc1C2=O 586995121 IPDAFGWBDBFKIS-UHFFFAOYSA-N 401.387 6.345 0 1 HKAF CCCOc1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cc1Br 587016271 IUGBVCZOPGUFQC-AWEZNQCLSA-N 408.321 5.089 0 1 HKAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1 587039722 IMABDSZOLIJWEI-LBPRGKRZSA-N 405.467 5.157 0 1 HKAF COc1cc(/C=C/c2nc3ccc(C(F)(F)F)cc3[nH]2)cc(Cl)c1OCC(C)C 587046943 PRKREMJDLOJRIS-QPJJXVBHSA-N 424.850 6.449 0 1 HKAF COc1cccc(-c2ccc(-c3nc4cncc(Br)c4[nH]3)c(Cl)c2)c1 587052635 ZDBWJDZOCMODFZ-UHFFFAOYSA-N 414.690 5.716 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(-n5ccnc5C)cc4)nc13)-c1ccccc1C2=O 587098681 RZUCKEYQDDGEOO-UHFFFAOYSA-N 401.469 5.916 0 1 HKAF COC(=O)c1ccc2c(c1)CCCc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587105795 AHRBMPOEAOHCEP-UHFFFAOYSA-N 405.453 5.389 0 1 HKAF Cc1cc(Br)cc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 587158855 KLIFLNCTUBIQEE-UHFFFAOYSA-N 421.273 5.779 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Cl)cc(Cl)c3[nH]2)c(Cl)c1 587159665 SDTDFPWGNSISMK-LJQANCHMSA-N 421.686 6.831 0 1 HKAF CC[C@@]1(c2c(F)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334596 PBSRGXBUUKCIFF-NFBKMPQASA-N 414.835 5.988 0 1 HKAF CC(C)c1cccc2c1OCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587361033 XFBGANFYYXIGMZ-OZXSUGGESA-N 418.464 5.692 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](Cc2ccccc2)C3)c1 587367422 PWCNIHZKDRKLPM-LJQANCHMSA-N 405.497 6.614 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(C(C)C)cc3)[nH]c3ccccc13)O2 587397709 ZAKHKBMSNVXEHE-DEOSSOPVSA-N 410.517 6.555 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1c(N)sc3c1CC[C@H](C)C3)O2 587415184 QIIKAHRBCHCDNM-SXBQZSJRSA-N 418.562 5.255 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cn(C(=O)OC(C)(C)C)c4cc(C)ccc14)[C@@H](C2)C3=O 587432873 ZQMTYSHNKITOLB-SBUREZEXSA-N 419.477 5.230 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3cc(Br)ccc3c1)CC2=O 587457810 NRILPZFFMPYNMD-OAQYLSRUSA-N 411.295 5.967 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3c(C(F)(F)F)ccc(Cl)c3[nH]1)CC2=O 587464284 NDJPNEWXAZHZPI-GOSISDBHSA-N 423.818 6.205 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1ccccc1C(=O)OC)CC2=O 587484036 XCKUFZYGPLILNB-XMMPIXPASA-N 416.473 5.505 0 1 HKAF Nc1ccc(Cl)cc1[C@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587500520 CUBGCFQRVYQQJQ-RUZDIDTESA-N 421.899 5.849 0 1 HKAF C[C@@H]1CCCCN1CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587517920 XERLFDRRRSKEAY-BCHFMIIMSA-N 419.565 5.525 0 1 HKAF CCO[C@@H](c1ccccc1)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587522202 GDJCVZOTWNKISU-WUFINQPMSA-N 412.529 6.204 0 1 HKAF CCOC(=O)c1[nH]c2c(c1C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)CC(C)(C)C2 587524586 JNFWPSBGIIWODJ-AREMUKBSSA-N 421.537 5.212 0 1 HKAF COc1ccc([C@@]2(CC(C)(C)CC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525677 RAXLLOGKVVINDE-SANMLTNESA-N 422.521 5.326 0 1 HKAF C[C@]1(c2ccc(-c3ccc4sccc4c3)o2)CC(=O)c2ccc3c(c2O1)CCCC3 587535399 KNLPWTMYYMVRAW-AREMUKBSSA-N 414.526 6.921 0 1 HKAF COc1cc2c(cc1OC)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)CC(C)(C)O2 587535757 NRATURIGWKVYGB-VWLOTQADSA-N 408.494 5.004 0 1 HKAF Cc1ccc(Br)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587540360 NUEPCUYLTSKOJJ-WIYYLYMNSA-N 411.251 5.166 0 1 HKAF CCOc1nc2ccccc2cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586600 KUURLYLWJMJMOT-URXFXBBRSA-N 413.429 5.042 0 1 HKAF CCC[C@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611932 HQBDPWGXWPWCPM-GHTZIAJQSA-N 400.883 5.764 0 1 HKAF COC(=O)[C@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2c(C)cc(Cl)cc12 587624707 SDPQTTDSGZHRSC-HXUWFJFHSA-N 424.327 6.755 0 1 HKAF CCOC(=O)c1c(CNC(=O)OCc2ccccc2)[nH]c2ccc([C@H](C)CC)cc12 587640597 BJQIUOMAJSRPCO-MRXNPFEDSA-N 408.498 5.285 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)c(O)c2Cl)N1 587698018 XWAZMJZZPDHAAY-ZIDLFYJRSA-N 405.094 5.224 0 1 HKAF Cc1cc(Cl)cc2c1OCCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587699530 QNLTVONRMUNWTD-ODXCJYRJSA-N 424.741 5.500 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)ccnc2Cl)N1 587708040 XNPSXXCKCIERIA-VPTHRUTESA-N 404.110 5.088 0 1 HKAF Cc1nc(C(F)(F)F)ccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587713311 NADGBLFQUAPZLW-XYZCENFISA-N 417.244 5.108 0 1 HKAF Cc1ccc(-c2cncc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 587774340 MQNYAWUBIUGPPW-FPTDNZKUSA-N 411.318 5.582 0 1 HKAF COc1ccc(C)cc1C(=O)CCc1nc2ccc(Sc3ccccc3)cc2[nH]1 587787323 NZYRXBZVGHJRTG-UHFFFAOYSA-N 402.519 5.847 0 1 HKAF Cc1cc(C)c2[nH]c(C)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587800163 APVIFHBRCFUNAQ-LAJNKCICSA-N 401.323 5.618 0 1 HKAF CC(C)[C@]1(c2ccc(C(C)(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587810574 DBYQJUZUEYNWGX-IQMFZBJNSA-N 418.394 6.320 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccsc2Br)N1 587841810 CQRWPUPULOGLRD-CPFSXVBKSA-N 405.130 5.036 0 1 HKAF COc1ccc2c(c1OC)[C@]1(C[C@@H](C)c3c(Br)cccc31)N(C)[C@@H](C)C2 962640448 WJIPOQVSWCIAMB-ALLJEULLSA-N 416.359 5.094 0 1 HKAF CCOC(=O)c1ccc([C@@]2(C(F)(F)F)N[C@@H](CC)Cc3c2[nH]c2ccccc32)s1 962960048 RWSZEEQNGMKMOH-FKIZINRSSA-N 422.472 5.136 0 1 HKAF Cc1ccnc2c1CCN[C@]2(C)c1ccccc1-c1cccc(OCc2ccccc2)c1 963074820 YHGLPZAJRJYFON-GDLZYMKVSA-N 420.556 6.045 0 1 HKAF Cc1ccc2nc(N3CCCc4ccc(F)cc4C3)cc(NC[C@@H]3CCCCN3)c2c1 1857633454 QPQVDWJAVLAHGC-QFIPXVFZSA-N 418.560 5.189 0 1 HKAF O=C(C=Cc1ccc(O)cc1)O[C@@H](CCCCCCO)CCCCCCCCCO 2356428806 YCRUHXDBZDORLV-XMMPIXPASA-N 420.590 5.373 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1C(=O)CC[C@@]2(C)[C@H]1CC[C@H]2[C@H](C)C=C[C@H](C)C(C)C 2356501025 LAFDOVHKCATTMZ-NGGZHVCDSA-N 410.642 7.129 0 1 HKAF CCCCCC[C@H]1C[C@@H]1CCCCCCCCCCCCCCCCCCC(=O)O 2356801561 RPNFNNATVBCDMF-SVBPBHIXSA-N 422.738 9.699 0 1 HKAF N[C@@H](CCc1ccccc1)c1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1 61907271 QKKYZYIVXUETAM-QFIPXVFZSA-N 413.546 5.750 0 3 HKAF COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc3c(c2)OCO3)cc1 13604453 RZAKQIKRELCZEZ-RCZVLFRGSA-N 415.489 5.151 0 1 HKAF COc1c(-c2ccc(C(=O)O)cc2)oc2cc3c(cc2c1=O)C(C)(C)CCC3(C)C 27899507 VPWIKINRBPQHGZ-UHFFFAOYSA-N 406.478 5.516 0 1 HKAF CC(C)=CCc1c(O)ccc(-c2coc3cc4c(c(O)c3c2=O)C=CC(C)(C)O4)c1O 34255913 BUYJDESZDWGXRM-UHFFFAOYSA-N 420.461 5.270 0 1 HKAF biogenic O=C(Nc1ccc(Oc2ccnc3ccsc23)cc1)N[C@@H]1C[C@@H]1c1ccccc1 35932592 LQBCMMHTJOFOGM-UYAOXDASSA-N 401.491 5.766 0 1 HKAF CC(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)C=C[C@@]34C)[C@H]12 43757845 BVLATQJWOBJIGT-BIRRXDFYSA-N 424.713 8.089 0 1 HKAF biogenic CCCCCCc1cc(CCCCCC)c(/C=C2\N=C(c3ccc[nH]3)C=C2OC)[nH]1 72106019 FUOGOCPFBUKVSN-BWAHOGKJSA-N 407.602 6.963 0 1 HKAF Clc1ccc(Br)cc1-c1nnc2ccc(-c3c[nH]c4ccccc34)nn12 82060560 GRCQGKZLRCWHMT-UHFFFAOYSA-N 424.689 5.356 0 1 HKAF CCc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccco2)s1 82165522 KINYATIIQDKZHA-IHETXDGRSA-N 408.571 5.905 0 1 HKAF CC[C@@H](C)Cn1c(-c2cccs2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181287 RPTUFFPVCRTVFP-CQSZACIVSA-N 411.962 5.866 0 1 HKAF c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@H](C4CCSCC4)N3)n2)cc1 84688198 LRRPBUZCJGWMNN-GGAORHGYSA-N 414.578 5.629 0 1 HKAF CN(C)Cc1ccc(-c2ccc3oc4c(-c5ccccc5)nc(=O)n(C)c4c3c2)cc1 96906315 RFXGDWBFIDFELN-UHFFFAOYSA-N 409.489 5.075 0 1 HKAF CCN1CC2=C(N=C3SC=C(C)N3[C@@H]2c2cccs2)/C(=C/c2cccs2)C1 102929229 XKVUZVJMXAGNDQ-XIJQHFHMSA-N 411.621 5.804 0 1 HKAF Cc1cc(-c2ccc(F)c(F)c2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C 103176095 VHAJLZAAYUHCJC-UHFFFAOYSA-N 419.859 6.257 0 1 HKAF COc1cccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2C)c1 104698430 MRUXJIVNMAGDGO-QHCPKHFHSA-N 402.494 5.451 0 1 HKAF C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CN2 118936875 VCYNHQOAZQMPOJ-AYSYCMHASA-N 413.646 5.575 0 1 HKAF endogenous,in-man Cc1cc(N2CC[C@@H](CN3CCC[C@H]3C)C2)ccc1NC(=O)c1ccc2cc[nH]c2c1 142750776 MOLASSDTWOISGN-UXHICEINSA-N 416.569 5.039 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3 255273873 VSGFTONSNLGNKU-SQNSDPAQSA-N 412.702 7.801 0 1 HKAF CC[C@H]1C=C2NC(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]3[C@@H]12 261187935 YBSFMQHCAIWRPP-QTKJQYBUSA-N 413.690 7.348 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1cc(C(F)(F)F)cnc1CC4)-c1ccccc1C2=O 586995557 MOSJZCFQNYHJEY-UHFFFAOYSA-N 416.402 5.934 0 1 HKAF CCOC(=O)[C@H](F)[C@H]1CCCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 586996134 PQTYFFBMNGJLNG-KSFYIVLOSA-N 403.453 5.076 0 1 HKAF Cc1nc(COc2cccc(-c3nc4c(C)c(Br)cnc4[nH]3)c2)cs1 587020202 HGAMHSRAAIHUCO-UHFFFAOYSA-N 415.316 5.040 0 1 HKAF Cc1ccnc2[nH]c([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc12 587057466 XEFCPODYBGPHBB-CYBMUJFWSA-N 414.292 6.505 0 1 HKAF Cc1nn(-c2cccc(-c3nc4ccc(F)c(Br)c4[nH]3)c2)c(C)c1Cl 587065241 MMARHNJOWLKYCF-UHFFFAOYSA-N 419.685 5.587 0 1 HKAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587079039 FQEYZIFSTDBOHD-LJQANCHMSA-N 418.953 6.091 0 1 HKAF Oc1ccccc1-c1cc(-c2nc3cc4c(cc3[nH]2)OCO4)c2cccc(Cl)c2n1 587082786 UKKZLJUQMRJNGG-UHFFFAOYSA-N 415.836 5.533 0 1 HKAF FC(F)(F)c1ccc(-c2nc3cccc(Br)c3[nH]2)c(C(F)(F)F)c1 587095427 YLJCFOXTKGUBLM-UHFFFAOYSA-N 409.127 6.030 0 1 HKAF CC[C@@H](C)c1ccc(NC(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587103008 CLIFRQFTAQYGRK-QGZVFWFLSA-N 420.512 6.141 0 1 HKAF Cc1c(-c2ccc(Br)cc2F)nc2cccc3c2c1-c1ccccc1C3=O 587103578 KOGIFHSIIABDPL-UHFFFAOYSA-N 418.265 6.323 0 1 HKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587113114 KBBWMIVZPPUOAS-QMMMGPOBSA-N 419.191 5.969 0 1 HKAF Fc1ccccc1-c1nnc(SCc2nc3cccc(F)c3[nH]2)n1-c1ccccc1 587153252 OQFTWAIYMOBCLA-UHFFFAOYSA-N 419.460 5.381 0 1 HKAF CC(C)(C)c1ccc2nc(-c3cc(I)ccc3Cl)[nH]c2c1 587183216 SMUMFJRXRPMABA-UHFFFAOYSA-N 410.686 5.785 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(Oc3ccccc3)cc2[nH]1)C(C)(C)C 587203300 DVZFIHQRASXZSH-HXUWFJFHSA-N 409.530 5.837 0 1 HKAF Cc1ccn2c(C)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)nc2c1 587335643 HZBJAKDYUULKMV-WIOPSUGQSA-N 416.452 5.070 0 1 HKAF CC(C)[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349853 VPONMCBHFDVOEJ-AZGAKELHSA-N 415.464 5.923 0 1 HKAF CCOC(=O)[C@H]1CC[C@H](C)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587363772 USGATXQWNLALHV-KXBFYZLASA-N 415.489 6.201 0 1 HKAF COc1cccc(-c2cc(/C=C/C=C(/C)CCC=C(C)C)nc3c2oc2ccccc23)c1 587366422 UHRJEKVNXPPVJD-DMIFSVRPSA-N 423.556 8.363 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)ccc1Sc1ccc(Cl)cc1)O2 587386753 WVIXGDBIAOPLAE-HXUWFJFHSA-N 413.901 6.227 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Oc3ccc(C(C)(C)C)cc3)c1)O2 587402865 IQLGTOVZMSFFMA-DEOSSOPVSA-N 401.506 6.374 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(CCC(F)(F)F)c1F)CC2=O 587459577 DGRBKCMCUZFULX-OAQYLSRUSA-N 410.407 5.859 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(Cl)cccc21 587462141 PJHJCWLRMPPWSV-VWLOTQADSA-N 418.876 5.452 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1ccc(C(=O)O)cc1)CC2=O 587489523 NSKYPECOLSNRCC-HSZRJFAPSA-N 402.446 5.416 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cnc(OC)cc3C)s1)CC2=O 587496484 YNDXFAQPVFWFJO-IBGZPJMESA-N 409.507 5.492 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccsc1)([C@H](O)c1ccsc1)CC2=O 587498068 YNRJRKPEIRKSCA-NHCUHLMSSA-N 400.521 5.062 0 1 HKAF O=C1C[C@]2(CCCC[C@H]2c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587509972 UVVBKWMTWIRBCV-URXFXBBRSA-N 414.467 6.646 0 1 HKAF Cc1cccc(-n2ncc3c2CCC[C@]32CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587517777 UXNYHRCAUPSUBC-MHZLTWQESA-N 412.533 5.565 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ccc(Cl)c1Cl 587543483 KOMQJIBMHAXTNX-OXJNMPFZSA-N 421.663 6.055 0 1 HKAF C[C@]1([C@@H]2C[C@H]2c2c(F)cccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554715 DWVSJXAECCLLLR-VFXUNUEYSA-N 424.855 5.709 0 1 HKAF CCCN1CCCc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587597021 UAXRSXOSUSIKEC-ZEQKJWHPSA-N 415.489 5.258 0 1 HKAF CC(C)(C)c1[nH]c2c(C(=O)O)cccc2c1Cc1ccc(Br)cc1F 587638070 TUULWCUBFSTTQQ-UHFFFAOYSA-N 404.279 5.656 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1Cl 587696423 UIIDPFGRYGZOPM-HUTHGQBESA-N 403.122 5.827 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(C(F)(F)F)c2)N1 587714097 UQQAYRUSDVUBII-VPTHRUTESA-N 406.192 5.370 0 1 HKAF CCCCC[C@@]1(c2ccc(N)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587742506 AEQFFUHPZRGBAB-SZNDQCEHSA-N 405.355 5.529 0 1 HKAF CCn1nc(CC[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587761623 BHVTWZNHFXTHPW-BFUOFWGJSA-N 416.338 5.166 0 1 HKAF COc1cccc([C@@]2(C(C)(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587812233 YUPCPAAJQNBFBI-LRTDBIEQSA-N 406.339 5.421 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccccc1CCc1ccccc12 587829119 QRENDIHPJBZFSQ-HNNXBMFYSA-N 422.341 5.513 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncnc2c1oc1ccccc12 587862597 DVATVYMLCHIYAD-UHFFFAOYSA-N 410.355 5.256 0 1 HKAF COC(=O)/C=C/c1cc(C)c(Nc2ccc(F)c(Nc3ccc(F)cc3)n2)c(C)c1 653736195 YYVZZNKRSWSTSK-NYYWCZLTSA-N 409.436 5.650 0 1 HKAF CN1N=C2c3ccccc3O[C@H](c3ccccc3)[C@@H]2[C@H]1c1ccc(Br)cc1 653900984 ZWMJACAHTSXEKX-MDNUFGMLSA-N 419.322 5.590 0 1 HKAF Cc1ccc([C@@]2(CCc3c(C)cccc3C)NCCc3ccc(F)c(C)c32)c(C)c1 962090999 KETSSRRSJVCXAP-MUUNZHRXSA-N 401.569 6.390 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@]12CCCc1ncc(C(F)(F)F)cc12 962375613 OEGQSGZSVINFTI-NRFANRHFSA-N 417.500 5.139 0 1 HKAF COc1cc2c(cc1OC)[C@H](c1cc(Cl)cc(Br)c1)N(C)[C@@H](C)C2 962575854 WBVMLORDRXMIEE-WLRWDXFRSA-N 410.739 5.086 0 1 HKAF c1ccc(N2CCN3[C@H](c4cncc(-c5cccs5)c4)c4ccccc4C[C@@H]3C2)cc1 962633822 GRKZTPHKWWDJGQ-SHQCIBLASA-N 423.585 5.646 0 1 HKAF Cn1cc(-c2nn3cc(-c4ccccc4)nc3s2)c2cc(Br)ccc21 1857549791 SNQBSGMOYAQTGD-UHFFFAOYSA-N 409.312 5.379 0 1 HKAF Clc1ccc(Nc2cc3oc(-c4ccc(Cl)cc4)nc3c3ccccc23)cc1 1857629890 KUDKBEZJNXHJGL-UHFFFAOYSA-N 405.284 7.698 0 1 HKAF CC(C)[C@@]1(C)C[C@H]1C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356408474 GYEFHOQTNWOKKR-TZNBRTEGSA-N 412.702 7.635 0 1 HKAF CC(C)[C@@H](C)C[C@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356440375 ZHZKWZJLUNXOSN-UDYUGGGJSA-N 418.706 6.685 0 1 HKAF CC(C)=CCc1c(-c2ccc(O)cc2O)oc2cc(O)c(C=CC(C)C)c(O)c2c1=O 2356472501 ZKLKJLSAAKJRDT-UHFFFAOYSA-N 422.477 5.460 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C[C@](C)(C(=O)O)[C@@H]2CC=C(C)[C@H](CCc3ccoc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c1c(O)cc(O)cc1O 2356797662 OGSHIPWCZJVZBH-IBGZPJMESA-N 400.515 5.322 0 1 HKAF CCOC(=O)C(C)(C)Oc1ccc2c(C)c(-c3ccc(Cl)cc3)c(=O)oc2c1 1631602 PYVKTIMKUAWJIG-UHFFFAOYSA-N 400.858 5.142 0 1 HKAF Cc1ccc(-c2cc(C(=O)Nc3cccc4ccccc34)c3ccccc3n2)cc1C 5942633 XPOVOLBRDQMUFV-UHFFFAOYSA-N 402.497 6.924 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 13526650 PZELUKPNJYWGOY-VQTIYASZSA-N 400.691 7.635 0 1 HKAF CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H](Cc1ccccc1)c1ccccc1 13863319 HYZNDDWYTHIDIO-HHHXNRCGSA-N 422.528 6.927 0 1 HKAF COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC(F)F 13863458 VKQDIKWPKDHRJH-ZWKOTPCHSA-N 418.484 5.148 0 1 HKAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)Nc1c(CC)cccc1CC 26169858 GSOSHFOJOLXQJP-XVTLYKPTSA-N 411.674 8.563 0 1 HKAF CCCCCCNc1ncnc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc12 28357357 QMKDTJUCLXEAKM-UHFFFAOYSA-N 419.479 6.024 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 28759022 QASMLJURBZXYNW-OQGIOFMMSA-N 401.679 6.928 0 1 HKAF O=C(N[C@H](CC1CCCCC1)C(=O)O)c1ccc(Cl)c(-c2ccc(Cl)cc2)c1 29215403 XUCFUHUVLHILOK-HXUWFJFHSA-N 420.336 5.814 0 1 HKAF CCCCC1=N[C@](C)(C(C)C)C(=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1 29409431 SIQOPICURLRLPJ-RUZDIDTESA-N 406.526 5.397 0 1 HKAF CCCCCC[C@]1(C)C[C@H](NC(=O)CN(CC)CC)c2c(C)c(O)c(C)c(C)c2O1 34296956 FAGPYXZHCVGSPV-NBGIEHNGSA-N 418.622 5.328 0 1 HKAF CC(C)(C)c1cc(-c2cc(=O)c3ccc(OCC(=O)O)cc3o2)cc(C(C)(C)C)c1O 39033879 DHKITISTGQZOLJ-UHFFFAOYSA-N 424.493 5.224 0 1 HKAF CCCCCC[C@H](Sc1nc(Cl)cc(NCCOc2ccccc2)n1)C(=O)O 40863765 CVPIGGPQTFLRRW-INIZCTEOSA-N 423.966 5.137 0 1 HKAF O=C(O)C1CN(Cc2ccc(-c3cc4cc(OCC5CCCC5)ccc4o3)c(F)c2)C1 43153517 FRFMAYDLFUKCGC-UHFFFAOYSA-N 423.484 5.324 0 1 HKAF O=C(O)c1c(O)c(C2(c3cccc(Cl)c3)CC2)nc2c(C(F)(F)F)cccc12 58574772 RZKOUEJUNBPRAT-UHFFFAOYSA-N 407.775 5.391 0 1 HKAF COc1ccc(CNc2ccc(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)cc2)cc1OC 64549678 LPLYQFGBWIHNGM-YADHBBJMSA-N 421.924 5.956 0 1 HKAF CC1(/C=C/c2nc3ccc(-c4ccccc4C(F)(F)F)cc3[nH]2)CCC(F)(F)CC1 73311640 SRPRIZCMVQDASK-CMDGGOBGSA-N 420.425 7.478 0 1 HKAF CCOc1cc(C(=O)OCc2ccc(-c3ccc(C)cc3)o2)cc(OCC)c1OCC 84670771 KZASBYPZNCZZGT-UHFFFAOYSA-N 424.493 5.808 0 1 HKAF CCOC(=O)c1ncn2c1CN=C(c1cccc3ccccc13)c1cc(Cl)ccc1-2 95552359 XCRNQVFKSUTZGP-UHFFFAOYSA-N 415.880 5.207 0 1 HKAF CCN(CC)c1ccc(F)c2nc(-c3c(OC)cc(COC)cc3OC)c(C)cc12 95575581 BSRPRQHQDCAIGE-UHFFFAOYSA-N 412.505 5.359 0 1 HKAF Cc1cc([C@H]2C[C@@H](CN3CCCCC3)C(=O)N2C)sc1-c1ccccc1Cl 96248464 KBMKEQNMFXTFMO-QFBILLFUSA-N 402.991 5.382 0 1 HKAF CCN(CC)C(=O)[C@@H]1Sc2c(OC)cccc2-c2c1c1ccccc1n2CCF 96909192 OXJAIYUOGTVKNT-JOCHJYFZSA-N 412.530 5.302 0 1 HKAF OC1=C2C(=Nc3nc(SCc4ccccc4F)nn3[C@@H]2c2cccc(F)c2)CCC1 100704536 RFTQYJWPFLCXFV-HXUWFJFHSA-N 424.476 5.520 0 1 HKAF COc1cccc(-c2ccc3c(c2)[C@@H]2C[C@@H]3CCN2C(=O)c2ccc(Cl)cc2)c1 102879080 VROXAYUEZGYDBZ-CYFREDJKSA-N 403.909 6.090 0 1 HKAF COC1CCC2(CC1)NC(=O)C(c1cc(-c3ccc(Cl)c(F)c3)ccc1C)=C2O 146043349 GMGJPIAFKJBQEK-UHFFFAOYSA-N 415.892 5.181 0 1 HKAF O=C(NCc1cccc(F)c1)C1CCN([C@H]2CCCc3ccc4ccccc4c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endogenous,in-man CC(C)CCC[C@H](C)[C@@H]1CCC2=C3CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 257553843 UIPYFONRKZTOIY-MWCUMTDASA-N 400.691 7.779 0 1 HKAF endogenous,in-man NC1(c2ccc(-c3nc4cc(-c5ncc[nH]5)ccn4c3-c3ccccc3)cc2)CCC1 261140491 MZSBEWVEUGITSO-UHFFFAOYSA-N 405.505 5.396 0 1 HKAF COc1cc(Cl)cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1OC 586993951 RYSHAVXRFCFSRN-UHFFFAOYSA-N 415.876 6.092 0 1 HKAF Cc1nc(COc2cccc(-c3nc4ccc(F)c(Br)c4[nH]3)c2)cs1 587020318 NFMBOVYRHBWHND-UHFFFAOYSA-N 418.291 5.475 0 1 HKAF c1ccc2c(c1)Sc1ccccc1N2CCc1nc2cc3c(cc2[nH]1)OCCCO3 587041164 WIJHUTHKEDZZPG-UHFFFAOYSA-N 415.518 5.570 0 1 HKAF CC(C)(C)c1cccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587073805 OVPODPWAOFJVKT-DYTRJAOYSA-N 414.980 7.687 0 1 HKAF Clc1ccc2c(c1)C[C@H](c1nc3ccc(-c4nc5ccccc5s4)cc3[nH]1)O2 587081736 ZJRCQHAFRONSQQ-LJQANCHMSA-N 403.894 6.169 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@H](N1C[C@H](C)C[C@@H](C)C1)CCC4)-c1ccccc1C2=O 587097404 OPRZPFHRRDWHQZ-SEPYTNNBSA-N 410.561 6.110 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(Br)ccc3F)nc3cccc1c23 587102708 DRIJLVWJVHVNQI-UHFFFAOYSA-N 404.238 6.015 0 1 HKAF Fc1ccc(-c2ccccc2-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1F 587145491 LRWQSKJJCVRIPF-UHFFFAOYSA-N 410.733 5.589 0 1 HKAF CCCCC[C@H](O)Cc1nc2cccc3c2c(c1Cc1ccc(O)c(OC)c1)CC3 587215077 AELNGKXUDOZRHW-IBGZPJMESA-N 405.538 5.122 0 1 HKAF Fc1cc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2cc1Br 587232000 KMJUJJXOLNOBQT-UHFFFAOYSA-N 400.251 5.014 0 1 HKAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)c1coc2ccc(Cl)cc12 587276726 SLGXREARJQHLQJ-HZJYTTRNSA-N 415.017 9.082 0 1 HKAF COc1cc2c(cc1Cl)CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331336 PHXBYNKDOGVWHG-VWNXMTODSA-N 424.855 5.394 0 1 HKAF C[C@]1(c2cccc(F)c2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336040 SOPAFMGWUVAAEP-DENIHFKCSA-N 400.808 5.598 0 1 HKAF CC(C)[C@@]1(COCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346919 CKFPBOCYGXMNCR-AZGAKELHSA-N 420.480 5.502 0 1 HKAF CC(C)[C@@]1(c2ccc3c(c2)CCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355866 GRIXMHHKEBWIFM-AHWVRZQESA-N 418.464 5.377 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(Br)cc3F)o1)O2 587381653 KTZSUNQNQLBXBS-LJQANCHMSA-N 416.246 5.445 0 1 HKAF COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCc1ccccc1F 587384151 BKUGRCSVJAKSHC-JOCHJYFZSA-N 407.441 5.010 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1OCc1ccccc1F)[C@@H](C2)C3=O 587426703 PHRWZWPEZLWBLI-UUOWRZLLSA-N 424.855 5.555 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccc(F)cc4)c4ccccc14)[C@@H](C2)C3=O 587429494 VGDSLLVUHFGSCF-RXFWQSSRSA-N 413.448 5.326 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cn(C(=O)OC(C)(C)C)c4ccc(C)cc14)[C@@H](C2)C3=O 587430602 JMRWVYYVWSHPHU-SBUREZEXSA-N 419.477 5.230 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCC)(c1ccc(Br)cc1)CC2=O 587457487 IOFBIJATKAURPT-NRFANRHFSA-N 403.316 5.768 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)cc(OC)c(OC)c1Cl)CC2=O 587460491 NAFZMIBUMMPUSO-OAHLLOKOSA-N 411.281 5.375 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(c1c(F)cc(F)cc1F)CC2=O 587466966 RKCYTECTKFBQJA-QHCPKHFHSA-N 413.395 5.066 0 1 HKAF CCCC[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587504240 QNGZUPVDDFBYHJ-QHCPKHFHSA-N 413.355 6.379 0 1 HKAF CCOC(COc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)OCC 587520487 CVUAQIQQTKXYFB-HSZRJFAPSA-N 410.510 5.050 0 1 HKAF CCCCc1oc2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616415 JQRHCMXRFMQTQI-BVAGGSTKSA-N 414.457 6.184 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(F)c3)c(C(=O)c3ccc(C)cc3O)c2c1 587643546 VMKJFIQAMPFREG-INIZCTEOSA-N 401.481 6.733 0 1 HKAF Cc1c(Br)cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587676978 JLKFGDUTBMCLLW-XLFHBGCDSA-N 413.128 5.283 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)ccc2Cl)N1 587690983 AQOCZRZDASTVCZ-WLRWDXFRSA-N 410.758 6.163 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2c(Cl)cccc2Cl)N1 587691097 BWIYVSQZHFEJAP-MGNBDDOMSA-N 417.149 6.103 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cc(Cl)ncc3c2)N1 587702721 FDGZJPWGOQTTCN-GIGQVBGESA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(F)cc(F)c2)(C(F)(F)F)N1 587709425 MJPARBAMSYRRCT-ZKANADHPSA-N 424.182 5.207 0 1 HKAF Cc1[nH]c2c(C)ccc(C)c2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587802133 KBGNMDRFCFDBFO-QKVFXAPYSA-N 401.323 5.618 0 1 HKAF COc1ccc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 587804767 BRGFHEPEYOEJJQ-XUSGNXJCSA-N 400.291 5.374 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C=C(c2ccccc2)c2ccccc2)N1 587822024 ZHEHCSBRAOFCAC-ZHRRBRCNSA-N 422.341 6.295 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3nccc(Cl)c3s2)N1 587855841 HAIIKEDSPRFCSV-ZKANADHPSA-N 411.727 5.475 0 1 HKAF C[C@H](Cn1cncn1)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923121 PMSOBBXGDVVUHY-CQSZACIVSA-N 403.486 5.493 0 1 HKAF Cc1ccn(C[C@H](C)c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)n1 587923205 VBYJBVXZSBYFBV-HNNXBMFYSA-N 416.525 6.406 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c(O)c2)cc1OC 587928116 YOMQULNKQVXHBQ-UHFFFAOYSA-N 415.371 5.034 0 1 HKAF COc1ccc(C2(c3nc4c(F)cnc(Br)c4[nH]3)CC3(CCC3)C2)cc1 587935436 KUQJQGCROODQBJ-UHFFFAOYSA-N 416.294 5.118 0 1 HKAF COc1ccc2c(c1)[C@](C)(c1ccc3noc(-c4ccccc4)c3c1)N(C(C)C)CC2 962094697 WVGSYAICXVHASC-MHZLTWQESA-N 412.533 6.033 0 1 HKAF CCCCc1nnc(-c2ccc([C@H]3c4cc(OC)c(OC)cc4C[C@@H](C)N3C)cc2)o1 962566697 IPKBHXKCQLAPCZ-GYCJOSAFSA-N 421.541 5.062 0 1 HKAF CC[C@@H](C)NC(=O)c1cc([C@]2(C3CC3)NCCc3cccc(-c4ccccc4)c32)c[nH]1 962662859 MMOABLWEMXTKPW-CLYVBNDRSA-N 413.565 5.009 0 1 HKAF C[C@]1(c2c[nH]c3ccc(Br)cc23)NCCc2cc(-c3ccccc3)ccc21 962671836 XGAMXZRVFUPHPO-DEOSSOPVSA-N 417.350 6.007 0 1 HKAF Clc1cc([C@]2(c3cccnc3)c3ccsc3CCN2Cc2ccco2)ccn1 962714085 YFXZFOULAFWQDK-QFIPXVFZSA-N 407.926 5.135 0 1 HKAF CCOc1ccc([C@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)c(F)c1F 962715061 SKSAPOWESGKPOT-PEBXRYMYSA-N 407.501 5.130 0 1 HKAF FC(F)(F)c1ccc([C@]2(C3CC3)c3ccsc3CCN2Cc2cccnc2)cc1 963000324 VHDCLHIWWMMDKH-JOCHJYFZSA-N 414.496 5.874 0 1 HKAF Cc1ccc([C@@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)c(OCc2ccccc2)c1 963110143 MQXDGRYTTIQRFP-YIXXDRMTSA-N 401.525 5.997 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@]2(CCc1cc(F)cc(Cl)c1)C1CCC1 963268992 CSXWTRXRMUGIPI-JOCHJYFZSA-N 408.344 5.915 0 1 HKAF CSc1cc([C@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)ccc1O 963833440 VWSVHAMPUXKXPT-XMMPIXPASA-N 416.546 5.410 0 1 HKAF COc1ccc(Br)c(CC2CCN(CCc3ccc(C)cc3)CC2)c1 1772648237 YMDKLOQIUGNRCL-UHFFFAOYSA-N 402.376 5.263 0 1 HKAF CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3ccccc3C)cc2NC(=N)C1 1772650252 ULKDBKGXJJSVPI-UHFFFAOYSA-N 418.541 5.072 0 1 HKAF CN(CCc1ccccc1)Cc1cn(C)c2ccc(C(=O)Nc3ccc(F)cc3)cc12 1857569282 UNYZPTCUKWQFEL-UHFFFAOYSA-N 415.512 5.244 0 1 HKAF COc1ccc(CN=c2[nH]c3nc4c(c(-c5ccccc5)c3s2)CCCC4)cc1 1857593587 PJJCRUDDHIUTCX-UHFFFAOYSA-N 401.535 5.280 0 1 HKAF C[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)C4=CC[C@]5(C)CCC(C)(C)C[C@@H]5[C@]4(C)CC[C@H]32)C1(C)C 2356360401 FGDSPOBRDAKBOX-OTHKICCISA-N 424.757 9.444 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@@H]3C(=CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]34C)[C@H]2C1 2356595420 GLENULFUVDQXBU-AGMLCCDISA-N 412.702 7.779 0 1 HKAF COc1cc2c(c(O)c1CC=C(C)CCC=C(C)C)C(=O)C[C@H](c1ccccc1)O2 2356636758 UDCNIVAKSBVBTO-JOCHJYFZSA-N 406.522 6.343 0 1 HKAF COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(C(C)C)=CC3=CC[C@@H]12 2356638314 ZRSJOCYVVPWHMC-HWIPXOPOSA-N 402.575 5.618 0 1 HKAF CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCOC(=O)C=CC(=O)O)CO 2356663773 UZHMDKVEUKIXIG-UHFFFAOYSA-N 404.547 5.289 0 1 HKAF CCCCC[C@H](O)C=CC=C[C@H](CCC[C@H](CCC(=O)O)CCC(C)C)CNC 2356700595 BKMFGLMMBZOPSA-VXNXHJTFSA-N 409.655 5.963 0 1 HKAF CCOc1ccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)N[C@@H](C)C(C)C)cc1 774316 KSFNQWDAUYDQKD-INIZCTEOSA-N 408.498 5.190 0 1 HKAF COc1ccc(C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 13741231 VGIXCIOZVKTAQT-HHHXNRCGSA-N 421.540 5.927 0 1 HKAF CCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccccc1Cl 13831919 AZKSTOOMQRNFGP-LFIBNONCSA-N 400.931 5.310 0 1 HKAF CC(C)=CC[C@H]1Cc2c(cc3c(c2O)C(=O)C[C@@H](c2c(O)cccc2O)O3)OC1(C)C 14829219 MSWKDNVOKYRGEP-XOBRGWDASA-N 424.493 5.196 0 1 HKAF biogenic,in-vitro CC(C)=CC[C@H]1Cc2c(cc(O)c3c2O[C@@H](c2c(O)cccc2O)CC3=O)OC1(C)C 15212616 VFMQTYFXQGAJKJ-LHSJRXKWSA-N 424.493 5.196 0 1 HKAF biogenic Cc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)Nc3ccccc3)nc2n1 27414120 SEILPCADPCEBAM-UHFFFAOYSA-N 424.291 5.951 0 1 HKAF CC(C)N(C(=O)[C@@H]1C[C@@H]2CC[C@H]3[C@@H](CC[C@@]4(C)[C@@H]3CCC(=O)N4C)[C@@]2(C)C1)C(C)C 27898373 VMAUAPIAAHKASV-LIXCDOOQSA-N 416.650 5.111 0 1 HKAF Cc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccncc3)n2)cc1 28707499 SPONZFNPNYGFCN-FQEVSTJZSA-N 402.548 5.931 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C)C[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 36188555 XUTZDXHKQDPUMA-UAOBZHRXSA-N 415.706 7.174 0 1 HKAF O=C(c1c(-c2[nH]c3ccccc3c2C(=O)C(F)(F)F)[nH]c2ccccc12)C(F)(F)F 45302346 VWPPMNCTBLESKP-UHFFFAOYSA-N 424.300 5.806 0 1 HKAF CC1=C[C@H](COc2ccccc2)O[C@@]2(C1)C(=O)N(Cc1ccccc1)c1ccccc12 66148969 JEFAFCFJFXXLPZ-YIXXDRMTSA-N 411.501 5.243 0 1 HKAF CCc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)CC[C@H](CN(C)C)C4)cc2)cc1 72113060 IOHAOIFSDVOIOB-NRFANRHFSA-N 412.577 5.835 0 1 HKAF CCCCCc1nc(-c2cnc(NC3CCCC3)nc2-c2ccccc2F)oc1C 82175055 VLOCJOKPKXBTIC-UHFFFAOYSA-N 408.521 6.333 0 1 HKAF CN(C(=O)c1cnccc1Oc1cc(Cl)ccc1Cl)c1ccccc1Cl 95573482 PACRXZGHOQJNLH-UHFFFAOYSA-N 407.684 6.111 0 1 HKAF COc1cccc2c1-c1ccc3c(c1[C@H]([C@H]1C=CCCCC1)O2)C(C)=CC(C)(C)N3 101153991 ICPSJRDYGBVYFW-QYBDOPJKSA-N 401.550 7.150 0 1 HKAF C[C@@]12CCCC(COC(=O)Cc3cccc4ccccc34)=C1C(=O)O[C@H]2c1ccoc1 103206621 BUYIUHDBZGNBMU-AZGAKELHSA-N 416.473 5.303 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2ccc3c(c2)OCO3)C[C@H](c2cccs2)C1 103971064 SCYAEIROVFUQQK-OWJWWREXSA-N 416.502 6.106 0 1 HKAF O=C1CC[C@@H](c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)C1 142598075 BTRKUPPYXBYVGG-OAHLLOKOSA-N 401.491 6.064 0 1 HKAF S=C(OC1CCCCC1)S[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 169322112 UNVAXJSXAKADJK-KRWDZBQOSA-N 415.411 6.299 0 1 HKAF Cc1ccc(N2CCC(CNc3nc(-c4ccccc4C(C)C)ncc3C)CC2)cn1 169339881 JMABKMRDRXPQFY-UHFFFAOYSA-N 415.585 5.607 0 1 HKAF Cc1ccc(OCc2ccccc2)c([C@H](CCN2C[C@H]3C[C@H]3[C@H]2C)c2ccccc2)c1 169359989 RMIOCWSMLOFBIC-WELLZUMNSA-N 411.589 6.436 0 1 HKAF CC1=C(O)/C(=C/[C@@H](C)C/C=C/C(C)=C/CCc2coc(Cc3ccoc3)c2)OC1=O 199817230 OUGIFGOZPCMDTF-VMHFTKGNSA-N 408.494 6.197 0 1 HKAF CC(C)=CC(=O)OCC1=CCC[C@@H]2[C@@]1(C(=O)O)CC[C@@H](C)[C@@]2(C)CCc1ccoc1 238780162 AKEJQJWVKAMFBO-KWACHACRSA-N 414.542 5.565 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 255261424 QQWIMVRGPKFDGM-QOCOSYFQSA-N 424.713 8.543 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257608679 WOVIRZFRRNEFES-BYMYFRDISA-N 414.718 8.313 0 1 HKAF endogenous,in-man Cc1ccc(-n2ccnc2SCc2nc3cc(Cl)c(Cl)cc3[nH]2)c(C)c1 586967206 ZOMDMZPXVNEBJI-UHFFFAOYSA-N 403.338 5.965 0 1 HKAF Cc1ccc(CSCCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 586970659 NQSOCYXSYHCFML-UHFFFAOYSA-N 400.853 5.899 0 1 HKAF CC(C)n1c(-c2nc3cc(Cl)ccc3[nH]2)cc(Br)c1Br 587004924 DKYWGBXLNOPSHF-UHFFFAOYSA-N 417.532 5.791 0 1 HKAF Cc1cc2[nH]c(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)nc2c(C)n1 587018850 QFHSBMOJVUEEDJ-UHFFFAOYSA-N 417.365 6.331 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc4ccccc4cc3[nH]1)N2 587030925 JUBOICDQGZNVAB-SGPNVBEDSA-N 420.563 5.843 0 1 HKAF CC(C)Oc1cc2nc([C@@H]3SCCc4sccc43)[nH]c2cc1Br 587037109 SCMOFXCWFFIBJK-MRXNPFEDSA-N 409.374 5.553 0 1 HKAF CC(C)(C)c1cccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c12 587048770 FOMLAAYQCDFWCS-UHFFFAOYSA-N 410.948 8.001 0 1 HKAF CCCOc1cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1Br 587081463 XAHHWVICHZUXMR-QGZVFWFLSA-N 407.695 5.444 0 1 HKAF Cc1cc2nc([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2cc1C 587141932 ZWKXUYZRFCMUNW-IBGZPJMESA-N 423.941 5.038 0 1 HKAF CCCCCc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 587276655 PQMUJDFZXJMWLV-UHFFFAOYSA-N 402.288 5.046 0 1 HKAF C[C@@]1(c2cccc(C3CC3)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331444 JNAYGTZVLOURRL-RDGATRHJSA-N 406.428 5.822 0 1 HKAF CCOC(=O)[C@@H]1c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C[C@H]1C 587362623 KWULEVRBWNCRQM-VLIAUNLRSA-N 401.462 5.496 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3ccc(F)c(Cl)c3)o1)O2 587381297 GMZDKPIKILBZMR-HXUWFJFHSA-N 401.821 5.248 0 1 HKAF CCCCc1ccc(-n2cc([C@H]3CC(=O)c4ccc(O)c(CCC)c4O3)cn2)cc1 587474669 FZGFTBZEISEDSS-XMMPIXPASA-N 404.510 5.580 0 1 HKAF O=C(O)CC[C@@]1(c2cccc3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587528514 ASEMJXXINPSHOH-SANMLTNESA-N 400.474 5.444 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCOc1cc(Cl)ccc12 587553286 VGCCBSBFTMFRLS-NZQKXSOJSA-N 408.837 5.075 0 1 HKAF Cc1ccc([C@@]2(Cc3ccncc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587589560 YFDPOWNNFFYUKB-RPLLCQBOSA-N 423.468 5.195 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1CN1CCCCC1 587590891 CZQXABMNSSVKAQ-ZEQKJWHPSA-N 415.489 5.081 0 1 HKAF CCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCC)c1 587597239 QGIAXOMNTFQFRI-DHLKQENFSA-N 420.461 5.067 0 1 HKAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc12 587602121 WIWDENWXEYAHLC-ZEQKJWHPSA-N 412.441 5.431 0 1 HKAF Cc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccccc2Br)cc1 587627851 BVEQLIUWTCNEMR-UHFFFAOYSA-N 414.705 7.365 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3cccn3)c(Cl)c2)N1 587691943 FGNHGYLULYVEDZ-NSPYISDASA-N 420.713 5.051 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(Cl)cc2)N1 587701617 VICZHRIAWCMPPR-YUNKPMOVSA-N 419.725 5.656 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(C(F)(F)F)cc2Cl)N1 587710779 DZUXTQCJYSNGDF-MLXNANBUSA-N 423.635 5.279 0 1 HKAF Cc1ccc(OC(F)F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587712446 AUQGFMITBICSSU-QGHHPUGFSA-N 400.238 5.122 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)(F)F)c(F)c2)N1 587721353 PKSTYONCRBHURA-BCTVWOGZSA-N 422.191 5.250 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(C3CCC3)c2F)N1 587730090 WTBVNFXMVMUROA-LAJNKCICSA-N 406.314 5.793 0 1 HKAF Cc1ccc(/C(=C/N(C)C)[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587756147 QBTAFAKXSKCGET-VOQUDWPKSA-N 403.339 5.075 0 1 HKAF COc1ccc2[nH]cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1C 587795413 WZIHHJPIWIIVBP-WVDJIFEKSA-N 403.295 5.010 0 1 HKAF COc1cc2ccccc2cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587812538 ZXPHJMCRUCAVLB-QKVFXAPYSA-N 400.291 5.374 0 1 HKAF CC(C)CCC[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812839 LFWPMSTZFASIJZ-KSFYIVLOSA-N 404.367 6.192 0 1 HKAF CCc1ccc(CC(C)(C)[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587818245 HALWPWSUOOMYMS-QKKBWIMNSA-N 404.367 5.995 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccccc3)o2)N1 587827193 IHPYFCOXJHIMMQ-ASSNKEHSSA-N 416.290 5.384 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](c3ccccc3)OC2(C)C)N1 587835370 WANPXYPODJQUOJ-YIILKADPSA-N 404.323 5.258 0 1 HKAF O=C(O)CCCCCCCCCCCCc1nc2ccc(OC(F)(F)F)cc2[nH]1 587957775 UHQYJTLMYLHQBG-UHFFFAOYSA-N 414.468 6.380 0 1 HKAF c1ccc(CC2CCN(C[C@H]3CCC(c4ccccc4)(c4ccccc4)O3)CC2)cc1 653702244 BJDXGMTWLRAACB-MUUNZHRXSA-N 411.589 6.064 0 1 HKAF CCCCOc1cc([C@H]2c3ccsc3CCN2Cc2cccn2C)ccc1OC 962368462 AUUBURRVROCHTI-DEOSSOPVSA-N 410.583 5.422 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cccn1-c1ccc(Br)cc1 963256184 BMHSVUVUDUWIPU-UZUQRXQVSA-N 409.371 5.986 0 1 HKAF COc1cc2c(cc1OC)[C@@H]1Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N1CC2 1772608635 OPYGFRDPWJRCFO-WNCULLNHSA-N 410.517 5.430 0 1 HKAF FC(F)(F)c1ccc(NC(=S)N2CCc3c([nH]c4ccc(Cl)cc34)C2)cc1 1857572560 GQFLTALNVBTKES-UHFFFAOYSA-N 409.864 5.595 0 1 HKAF O=C(COc1ccc(-c2ccccc2)cc1)Nc1cccc(-c2nc3cccnc3[nH]2)c1 1857621425 QNJDBBPWEXDTKE-UHFFFAOYSA-N 420.472 5.309 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356398586 WMXFLZHWFZIIBF-AFRVPJRRSA-N 424.713 8.543 0 1 HKAF C[C@@H]1C(=O)CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@@]21C 2356399351 SVZQHKOMCQDKKO-SQVHBEKOSA-N 412.702 8.067 0 1 HKAF COc1cc(OC)c2c(c1-c1c(C)cc3cccc(OC)c3c1O)C[C@@H](C)N(C)[C@@H]2C 2356563821 NNJPNEIAOPIFMB-HZPDHXFCSA-N 421.537 5.484 0 1 HKAF COc1cc(OC)c2c(c1)[C@@H](c1c(C)cc3cccc(OC)c3c1O)[C@@H](C)N=C2C 2356753345 PXBHZIFPQCRJCT-CMJOXMDJSA-N 405.494 5.223 0 1 HKAF Oc1ccc(-c2nc3cc(-c4ccc5nc(-c6ccc(O)cc6)[nH]c5c4)ccc3[nH]2)cc1 1485682 LUIYJLIHLJLIPT-UHFFFAOYSA-N 418.456 5.851 0 1 HKAF in-vitro CN(C)c1ccccc1/C=C/N1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 13799779 VNVWTGBJNZFFOZ-HJSOSKBTSA-N 418.968 5.773 0 1 HKAF COc1ccc(CCOC(=O)c2oc3cc(-c4ccccc4)cc(O)c3c2C)cc1 27522134 SZZXWGALMWCVQJ-UHFFFAOYSA-N 402.446 5.522 0 1 HKAF CN(C)CC[C@@H](NC(=O)/C=C/c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 28653925 OACORGJUEPUCKC-GIHFNCESSA-N 410.867 5.181 0 1 HKAF C[C@](O)(CSc1ccc(N)cc1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1 34801489 ZWDNIXNZCPRJBP-KRWDZBQOSA-N 400.853 5.422 0 1 HKAF CC(C)C(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=C[C@@H]3O 38512401 IDTRTXTWGAYTFN-SCDYPVRCSA-N 416.646 5.539 0 1 HKAF Clc1cccc(-n2cc(-c3ccccc3NCc3ccnc4ccccc34)nn2)c1 40864137 MVXJUUULTQHKSR-UHFFFAOYSA-N 411.896 5.748 0 1 HKAF CCCN1CCC(N2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)CC1 45301309 DSMJHVXJRXSNAS-GOSISDBHSA-N 420.523 5.149 0 1 HKAF O=C(O)c1cc([N+](=O)[O-])ccc1Nc1ccc(CCN2CC[C@@H]3CCCC[C@H]3C2)cc1 58559893 PQZJCZJMUZVPSP-OALUTQOASA-N 423.513 5.091 0 1 HKAF CCCCCN(Cc1ccccc1)C1CCC2(CC1)O[C@H](OC)Cc1ccccc12 71340569 IGPWXLMBTPDYMD-UYYAODIZSA-N 407.598 6.062 0 1 HKAF C[C@H](C(=O)Nc1cc(F)cc(F)c1)N(C(=O)c1ccc(Cl)cc1)C1CCCCC1 72128564 ZQMHFHUAKTVQPC-CQSZACIVSA-N 420.887 5.420 0 1 HKAF CN1CCC(Oc2ccc3cc(-c4ccccc4-c4ccccc4)c(=O)oc3c2)CC1 84727227 DAOHFJRNWOTIDQ-UHFFFAOYSA-N 411.501 5.600 0 1 HKAF O=C(O)c1cccc(Cn2ccc3ccc(-c4ccc5cc(Cl)ccc5n4)cc32)c1 95578830 RFUITWPLTISXDP-UHFFFAOYSA-N 412.876 6.256 0 1 HKAF Oc1ccc2c(c1)CCc1cccc(c1)Oc1cc(ccc1O)CCc1ccc-2c(O)c1 95914856 HZJISEAKFQACIJ-UHFFFAOYSA-N 424.496 6.147 0 1 HKAF biogenic,in-vitro C[C@@H](Oc1c(N)ncc2c(C3CCNCC3)coc12)c1c(Cl)ccc(F)c1Cl 96273079 BBXLGUCGJFPNCG-SNVBAGLBSA-N 424.303 5.463 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](OC(=O)c3cccc(C(=O)O)c3)CCC[C@@]21C 96914353 RBPDQJBCHHADKI-WTVVEIOFSA-N 414.586 6.589 0 1 HKAF CC(C)(C)c1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccc(-c2ccc4c(c2)OCO4)cc1-3 96923501 CDJHDUWBHOMESI-UHFFFAOYSA-N 424.500 6.023 0 1 HKAF O[C@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccc(F)cc12 101185546 CYOBJTAQBGDFGU-YPGOJHLTSA-N 420.311 5.893 0 1 HKAF Cc1ccc2[nH]c(-c3ccccc3)c(-c3cc(-c4ccccc4)nc4[nH]nc(N)c34)c2c1 103183401 HIZZDHRHMJQFCG-UHFFFAOYSA-N 415.500 6.331 0 1 HKAF O=C1C[C@@H](c2ccc(Cl)cc2)Nc2c(Br)cc(Br)cc21 103213553 KZKSAHJDZWTMDN-ZDUSSCGKSA-N 415.512 5.605 0 1 HKAF Nc1nccc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cccc12 103256503 CIUJFUBCFGKNHD-UHFFFAOYSA-N 422.410 6.147 0 1 HKAF COc1cccc(OC)c1[C@@H]1CC[C@H](C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 103258891 SXUMWRLPVZHYBQ-YOEHRIQHSA-N 423.431 5.102 0 1 HKAF Fc1cc(-c2nnc([C@H](NCc3ccccc3)c3ccc[nH]3)o2)c(Cl)cc1Cl 169307883 ANQZUKMYUXTCOE-GOSISDBHSA-N 417.271 5.390 0 1 HKAF CCCCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCC(=O)O 169622526 DNZJMTXSNAUPHB-ORLNMRMGSA-N 405.579 5.084 0 1 HKAF COc1cccc2c1-c1ccc3c(c1[C@@H]([C@H]1/C=C/CCCCC1)O2)C(C)=CC(C)(C)N3 195038676 NYZPSKBMSBIASN-LJZRIZKXSA-N 415.577 7.540 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1cc([C@H]2COc3cc(O)cc(O)c3C2=O)ccc1O 238771094 YFTKBDQVWMZIOT-FALBMNKOSA-N 408.494 5.398 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC=C2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 255241286 MYQAIYGVAHDZRD-JUIQTESCSA-N 408.670 7.641 0 1 HKAF C/C=C(\CC[C@@H](C)[C@@H]1C=CC2=C3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 255259854 PSJWKKYLLIKCCF-UBROGNSZSA-N 410.686 7.865 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1 586884013 NICHKPNLSIPNSA-XRAJMZMQSA-N 402.494 5.610 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(Cl)nc(Cl)cc2[nH]1 586980330 PIXMELGIFHVOBM-UHFFFAOYSA-N 422.113 5.793 0 1 HKAF O=C1c2ccccc2-c2c(Cc3cccc(C(F)(F)F)c3)cnc3ccc(O)c1c23 586985733 FPGWSPDPKVHHJI-UHFFFAOYSA-N 405.375 5.761 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cccc(CCCCF)c3F)nc3ccc(O)c1c23 586986408 LZCZEVPBGUDLMR-UHFFFAOYSA-N 415.439 6.250 0 1 HKAF O=C1c2ccccc2-c2cc(/C=C/c3c(F)cccc3Cl)nc3ccc(O)c1c23 586986614 OLLPYHWRKOEBNX-CMDGGOBGSA-N 401.824 6.115 0 1 HKAF CC1=CC[C@H](C)C(C)(C)[C@H]1/C=C\c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991898 RHNATHJHIHLEJM-VEPYRTRCSA-N 409.529 6.794 0 1 HKAF FC(F)(F)Sc1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 587030038 YWICWRBNWBUCKQ-UHFFFAOYSA-N 407.442 5.877 0 1 HKAF CCCCOc1cc2[nH]c(-c3cc4c(s3)CC[C@H](C)C4)nc2cc1Br 587033582 JUDIMXSNCSMGDX-LBPRGKRZSA-N 419.388 6.358 0 1 HKAF COc1cccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c(Cl)c2)c1 587051981 HXWKCHPNSOMHCA-UHFFFAOYSA-N 403.869 5.444 0 1 HKAF Nc1ncc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(-c2ccccc2Cl)n1 587061614 WFGKCOKCXODODQ-UHFFFAOYSA-N 424.213 5.595 0 1 HKAF COC(=O)c1cc2[nH]c(-c3c(C)cccc3-c3ccc(Cl)cc3)nc2cc1OC 587073887 NJQAMGOHPGLQHY-UHFFFAOYSA-N 406.869 5.654 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(-c4c(Cl)[nH]c5ccccc45)[nH]c3c2)cc1 587087578 LPTIILJZBDBJAJ-UHFFFAOYSA-N 417.852 5.944 0 1 HKAF CC(C)(C)OC(=O)N1C[C@@H]2[C@H](c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)[C@@H]2C1 587105741 GWVVGWMTUCWPLK-BBIADKPPSA-N 412.489 5.027 0 1 HKAF CCOC(=O)[C@@H](Cc1ccccc1C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106271 KNIUJLOINPLUGZ-QHCPKHFHSA-N 421.496 5.644 0 1 HKAF CCOC(=O)c1ccc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2c1 587138697 QUPPNQXAXGYPOM-UHFFFAOYSA-N 422.387 5.050 0 1 HKAF Cc1ccc(/C=C\c2nc3c(Br)ccc(Br)c3[nH]2)cc1F 587146152 BFXOAWAWQHMFJL-DAXSKMNVSA-N 410.084 5.706 0 1 HKAF CCCCCOc1cc2[nH]c(-c3ccc(CN=O)cc3)nc2cc1Br 587189358 AEPCYKQFYPSUTK-UHFFFAOYSA-N 402.292 5.828 0 1 HKAF Cc1nc(C)c2c(C)c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)sc2n1 587208275 NUDZSDZHJIUWNQ-UHFFFAOYSA-N 407.498 6.043 0 1 HKAF COc1cccc(-c2cc(-c3ncc(Cl)cc3C)nc3c2oc2ccccc23)c1 587360869 RZYVSIBIJRJQIA-UHFFFAOYSA-N 400.865 6.680 0 1 HKAF Cc1cc2c(cc1C)[C@@]1(CCS2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587376950 ZFUAKTRCSKOVRJ-ILBGXUMGSA-N 420.505 5.898 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1Br)(c1ccccc1)O2 587377611 NWJGEEBOTDKRPB-QHCPKHFHSA-N 422.322 5.443 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccccc3)nc1-c1cccs1)O2 587414242 SBEBDSPINBUVAU-FQEVSTJZSA-N 401.491 5.198 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(OCc4ccccc4)c4ccccc4c1)[C@@H](C2)C3=O 587442059 IGVQZFYKSWIQFX-FIPFOOKPSA-N 422.480 5.916 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3ccccc3c1Br)CC2=O 587458087 GFFWBJXAZLREIS-HXUWFJFHSA-N 411.295 5.967 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cc(F)cc(Cl)c3)cc1)CC2=O 587469192 XOMHUBMZOJKLCE-QHCPKHFHSA-N 410.872 6.511 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cccnc1)(c1csc3ccccc13)CC2=O 587493293 DKAKVGXDDQSZGS-RUZDIDTESA-N 415.514 5.863 0 1 HKAF C[C@@]1(CC(=O)Nc2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587510743 XWHQHJFJBYYBNK-QFIPXVFZSA-N 417.427 5.337 0 1 HKAF CCOC(=O)C[C@]1(c2ccc(OCC)c(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587522746 HPMIFWYJPDOCGS-SANMLTNESA-N 422.521 5.086 0 1 HKAF CC(C)(C)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549329 RRFPDGHTAVFBMK-GBXCKJPGSA-N 408.881 5.949 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1c(C(F)(F)F)cccc12 587557802 UCVUCKDUBKUXLP-KNQAVFIVSA-N 412.363 5.214 0 1 HKAF CCCCCOc1cc2nc(COc3ccc(C)cc3)[nH]c2cc1Br 587565764 SLTHGRBDXKURLF-UHFFFAOYSA-N 403.320 5.782 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(F)cc1 587572625 SVCJAMOQKWELTQ-OZXSUGGESA-N 412.416 5.437 0 1 HKAF C[C@@]1(c2cccc(-c3ccncc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588277 SDMONQNDJZXWOE-BVAGGSTKSA-N 409.441 5.331 0 1 HKAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(C)C 587597091 SCTRGEKIZSAHFM-WIOPSUGQSA-N 420.461 5.139 0 1 HKAF CCCCCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587597572 QXVVVLOSIJHRCK-ZEQKJWHPSA-N 418.489 6.054 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(C3C(=O)CC(C)(C)CC3=O)c2c1 587643155 RYROKOILDWKAFA-OAHLLOKOSA-N 405.513 6.529 0 1 HKAF CCOc1ccc(-c2nn(-c3cccc(F)c3F)c(=O)c3ccccc23)cc1OCC 587671277 MTQILRKUYZIBBZ-UHFFFAOYSA-N 422.431 5.128 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cnc(Cl)cc3c2)N1 587707285 VFCSPGMTVUMPLP-GIGQVBGESA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(-c3cccs3)c2)N1 587722278 XXJLPNBJPZXOBG-BIBXISHDSA-N 420.322 6.079 0 1 HKAF CCOc1ccc2[nH]cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587807390 WZUCJXPBRNTUFA-GIPWTMENSA-N 403.295 5.092 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1/C=C/[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587813419 CKFVWDXWVKLMIN-RWUKXYKOSA-N 406.383 6.276 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C3CCCCC3)cc2)N1 587816355 WWOROQASMRBZME-NPMXOYFQSA-N 416.378 6.434 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H](c3ccccc3)C2)N1 587818026 OQZLRHOGENFKBD-FXCLAUTBSA-N 402.351 6.066 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc(C(C)(C)c5ccccc5C)[nH]c4c3)o2)cc1 587954988 HYOJCERSOLWTKF-UHFFFAOYSA-N 424.504 5.923 0 1 HKAF Cc1cc(F)ccc1-c1ccc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)o1 962973358 KLIXTDMTBYPZGX-FOIQADDNSA-N 421.802 5.014 0 1 HKAF C[C@]1(c2ccc(SC(F)F)cc2)c2ccsc2CCN1Cc1cccnc1 962996743 PHSFZWPOTXXADW-NRFANRHFSA-N 402.535 5.780 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@]2(CCc1cc(F)cc(Cl)c1)C1CCC1 963268993 CSXWTRXRMUGIPI-QFIPXVFZSA-N 408.344 5.915 0 1 HKAF O=C(Nc1cccc(Nc2ccc3c(/C=C/c4ccccc4)[nH]nc3c2)c1)[C@H]1CCCO1 1772603235 JUKHXMKPBZCLIK-IGQYLQMFSA-N 424.504 5.594 0 1 HKAF COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3c4ccc(OC)cc4CCN32)cc1 1772611230 KMEGVCFAXDEADV-AHKZPQOWSA-N 410.517 5.430 0 1 HKAF Cc1c(CO)ccc2c(-c3cccc(C(N)=S)c3)cn(CCCC(F)(F)F)c12 1857601997 FXTDWXUTNOQEPZ-UHFFFAOYSA-N 406.473 5.086 0 1 HKAF CC=C(C)[C@H](O)[C@H](C)C=C(C)C=CCC(C)=CCc1oc(O)c(CC)c(=O)c1C 2356741598 CQGOJARIWQVTKT-XXBNENTESA-N 400.559 5.561 0 1 HKAF Cc1ccn2c(NC3CCCCC3)c(-c3ccc(SC4CCCCC4)cc3)nc2c1 95565761 FJPUETFWFGEQHG-UHFFFAOYSA-N 419.638 7.479 0 3 HKAF CC(C)(C)c1noc(-c2cccc3ccccc23)c1C(=O)NCCc1ccccc1F 775988 XXNPEMFPPIRPPU-UHFFFAOYSA-N 416.496 5.904 0 1 HKAF COc1ccc([C@@H](C)Cn2ccnc2NC#N)cc1OCCCCCc1ccccc1 13438996 MMMMGXJULDFOQE-FQEVSTJZSA-N 418.541 5.380 0 1 HKAF CCCN(CCCOc1cccc(Cl)c1)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 13741764 KTENZVQFGHICMF-OAQYLSRUSA-N 424.972 5.672 0 1 HKAF CC[C@@H](O)c1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1cccc2ccccc12 26569482 NTFDOHUTBGQNQM-NBGIEHNGSA-N 414.524 6.271 0 1 HKAF CCCC(=O)c1cnc2c(OCCCN(C)C)cccc2c1Nc1ccc(F)cc1C 26660874 YZMUDYASWPWNPJ-UHFFFAOYSA-N 423.532 5.739 0 1 HKAF c1ccc(C(c2ccccc2)[C@@H]2CC[C@@H]3CN2CCN3c2ccc3ccccc3c2)cc1 36271479 BKGVRURENLJXJR-WDYNHAJCSA-N 418.584 6.325 0 1 HKAF Cc1ccc(-c2ccc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)s2)s1 38268727 NCDVDCYFZPSORZ-QGZVFWFLSA-N 418.631 7.027 0 1 HKAF O=C1CCC(N(CCc2ccc(Cl)cc2)C(=O)c2csc3ccccc23)CC1 40421985 IGOIWECYLXGWGI-UHFFFAOYSA-N 411.954 5.751 0 1 HKAF Cc1ccc2c(Cc3nn4cc(-c5ccc(Br)cc5)nc4s3)coc2c1 42889372 KBOJFPALCHCBQI-UHFFFAOYSA-N 424.323 5.866 0 1 HKAF O=C(O)c1cn(Cc2ccc(-c3cccc4cccnc34)cc2)c2cccc(F)c2c1=O 45349596 DROYHZQWPRNVOT-UHFFFAOYSA-N 424.431 5.102 0 1 HKAF CC[C@@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N(CC(C)C)CC(C)C)n1 82067055 OVJAGXFRDGOQJL-QGZVFWFLSA-N 401.555 5.001 0 1 HKAF CC[C@@H](C)Nc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccccc2F)n1 82153185 XFOQPOKOBJGXKK-GOSISDBHSA-N 420.532 5.544 0 1 HKAF CC[C@@H](C)Cn1c(C2CCCCC2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188321 WDEXNJLBZZATKS-MOPGFXCFSA-N 405.590 6.136 0 1 HKAF CCCCCNC(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O 96924193 BOSNATRGONCECE-UHFFFAOYSA-N 401.315 5.732 0 1 HKAF CC(C)CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccncc1 100703537 NENJNOOVBBHNLT-QGZVFWFLSA-N 424.570 5.566 0 1 HKAF CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc(N(C)C)cc1 100703949 RQSWPCFSHITENH-QGZVFWFLSA-N 424.570 5.210 0 1 HKAF CCOC(=O)c1c(C)nc2nc3c(c(N)c2c1-c1ccc(OC)cc1)CCCCCC3 103223305 OYHDYZJZSSLBOR-UHFFFAOYSA-N 419.525 5.032 0 1 HKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(Nc2cccc(Br)c2)nn1 103291025 UPKBJDAXGSVBCO-UHFFFAOYSA-N 408.221 5.977 0 1 HKAF Cc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(OCc4ccccc4)cc3)C2)cc1 103293292 SCBYJPBVHYABDR-LJAQVGFWSA-N 418.540 6.930 0 1 HKAF CCCCNc1ncc(C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 105173139 ZRHVKZXRQGYKEA-XODARUQUSA-N 420.601 5.465 0 1 HKAF CC[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(Oc4ccccc4)cc3)oc2c1 139342920 HRMVERFNVVVZGO-MRXNPFEDSA-N 411.461 5.537 0 1 HKAF CC(C)(C)Oc1cccc(-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)n1 169259098 PALYSIUIEZDNIW-UHFFFAOYSA-N 416.529 5.070 0 1 HKAF COc1ccc(-c2cc([C@H]3[C@@H](c4ccc(Cl)cc4)C[C@@H]4CC[C@@H]3N4C)on2)cc1 169346418 MZBDCJWEXVZTQQ-FVSDWULHSA-N 408.929 5.738 0 1 HKAF [C-]#[N+]c1cccc(-c2ccc3c(c2)[C@@]2(CC(=N)N(C)O2)C2(CCC(OCC)CC2)C3)c1 169700380 HKUHEGLCGUKBEA-BOPKNSRXSA-N 415.537 5.866 0 1 HKAF Clc1ccnc2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc12 587018345 ZXYYZZKZMQHGMD-UHFFFAOYSA-N 411.737 5.150 0 1 HKAF N[C@@H](N=O)c1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1 587058195 ZVMYCWBQOHSBRH-SFHVURJKSA-N 417.252 5.432 0 1 HKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c2)cc1 587067449 ANDFAUXKXGWFPG-UHFFFAOYSA-N 404.684 5.744 0 1 HKAF CC(C)Oc1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587069743 NZXUCJGWHQZQOV-LTGZKZEYSA-N 416.952 7.177 0 1 HKAF Oc1nc2cc3nc(/C=C\c4ccc(OCc5cccc(Cl)c5)cc4)[nH]c3cc2[nH]1 587071556 OUKUIPOFXMPIQE-TWGQIWQCSA-N 416.868 5.548 0 1 HKAF O=C(Cc1ccc(Cl)cc1)c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1 587072256 PTBDCYDAEBCXER-UHFFFAOYSA-N 406.713 5.679 0 1 HKAF Fc1c(Br)cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1F 587091548 KVNURNHLQRZOOT-UHFFFAOYSA-N 424.192 5.320 0 1 HKAF Cc1c(Br)ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 587093466 MYSRRLXPRJANIT-UHFFFAOYSA-N 423.154 6.338 0 1 HKAF CCOC(=O)C[C@H](C(=O)CC)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 587097115 IETWCLYYIRLANG-LJQANCHMSA-N 415.489 5.079 0 1 HKAF Cc1nc2cccc3c2c(c1Cc1ccc(O[C@H](C)C(=O)O)cc1)-c1ccccc1C3=O 587106082 IAAQZCWAYHXKRO-MRXNPFEDSA-N 423.468 5.197 0 1 HKAF CC(C)Oc1ccc([C@H]2CCc3c2nc2cccc4c2c3-c2ccccc2C4=O)cc1 587107684 SXGUITAMTMQHPS-LJQANCHMSA-N 405.497 6.312 0 1 HKAF CCc1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1 587120135 SYPORJRFCXJKNG-UHFFFAOYSA-N 407.399 5.521 0 1 HKAF CCCOc1cc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2cc1Br 587131265 BEEHESXUTOZALK-UHFFFAOYSA-N 421.285 5.996 0 1 HKAF CC(C)Oc1ccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2c1 587141412 RATFEHGHRVWJBT-UHFFFAOYSA-N 410.489 6.588 0 1 HKAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cccc(C(C)(C)C)c3[nH]2)c1 587147561 TXEBQIFAKHFBAW-UHFFFAOYSA-N 418.468 6.040 0 1 HKAF CC[C@@]1(c2ccc(OC(C)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351789 NGFOHZOJOAUJHO-ZCYQVOJMSA-N 420.436 5.121 0 1 HKAF O=C1c2ccc(O)cc2OC2(c3ccccc3-c3ccccc32)[C@H]1c1ccc(F)cc1 587352035 LNVPSJNGKFUWII-VWLOTQADSA-N 408.428 5.814 0 1 HKAF COc1cccc(-c2cc(-c3cnc4c(c3)ncn4C)nc3c2oc2ccccc23)c1 587363633 VLHTZFBPYCDHEE-UHFFFAOYSA-N 406.445 5.605 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccccc1Cl 587375911 AQZMLPLZOCQTIU-QHCPKHFHSA-N 423.896 5.525 0 1 HKAF CCc1ccc(OCc2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2OC)cc1 587397712 ALAIFKKWKRHCPR-VWLOTQADSA-N 417.505 5.434 0 1 HKAF COc1cc2c3c(c1)OC1(CCC(c4ccc(Br)cc4)CC1)[C@@H](C2)C3=O 587416782 FIHFOEWXOOPXCM-PYGWLIJMSA-N 413.311 5.302 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3cccc(C(F)(F)F)c3n1)CC2=O 587464934 ZHQNNPBAJRFPRK-LJQANCHMSA-N 401.384 5.618 0 1 HKAF CC(C)(C)OC(=O)n1ccc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cccc21 587514131 FQHPPBOIHGYOSM-HSZRJFAPSA-N 417.505 6.010 0 1 HKAF Cc1c(F)cccc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587559418 XHNMGJDEFGDVFW-RCZVLFRGSA-N 416.404 5.803 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccsc2)n1 587610275 FJGYOEWAICIAPY-YLJYHZDGSA-N 407.472 5.280 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3c[nH]c(C(=O)OC)c3)c(-c3ccc(Cl)cc3)c2c1 587639827 DNBYTEANYMIESX-AWEZNQCLSA-N 406.913 6.784 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1OC(F)F 587715445 HSKIELMWBIADOY-DIFFPNOSSA-N 414.265 5.430 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C3CCCCC3)cc2)N1 587816095 UDWPCMIJRHQQOV-CMJOXMDJSA-N 416.378 6.434 0 1 HKAF Cc1cc(Br)sc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587843674 JMHWWNQBGPVBEJ-XLKFXECMSA-N 419.157 5.344 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2csc(Br)c2)N1 587845644 FECDAMIQPASQPJ-VXJOIVPMSA-N 419.157 5.210 0 1 HKAF Cc1ccsc1[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587847405 XGLJAGGKPCJUGZ-SPLOXXLWSA-N 416.359 5.784 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCCC3)s2)N1 587850161 XQYHZDFQPYLNAX-HXPMCKFVSA-N 409.368 5.264 0 1 HKAF Cc1ccc(-c2ncc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)o1 587852548 HEDAXBUPTHXLIU-XLFHBGCDSA-N 407.308 5.237 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2ccc(OC)c(F)c2)cs1 587870699 GTXGWCGRBOVFOW-UHFFFAOYSA-N 413.449 5.348 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nc2ccccc2s1 587872566 NTZLTVBFZZXLTK-UHFFFAOYSA-N 413.499 5.130 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1csc(-c2ccc(CC)cc2)n1 587873142 VGKQEVGEJFQZCC-UHFFFAOYSA-N 421.497 5.462 0 1 HKAF COc1ccc2c(c1)[C@](c1c(C)ccc3ccccc13)(C(F)(F)F)N(C(C)C)CC2 962095472 YZDDTOSESRBZLC-DEOSSOPVSA-N 413.483 6.229 0 1 HKAF C[C@]1(c2cc(Br)cnc2Cl)c2ccsc2CCN1Cc1ccco1 962702642 FWVOBYLGOHMBCL-GOSISDBHSA-N 423.763 5.474 0 1 HKAF Cc1sc2c(c1C)CCN[C@@H]2c1ccc(COc2cc(Cl)ccc2Cl)o1 963013715 SAMIRMYMZDVQKH-LJQANCHMSA-N 408.350 6.079 0 1 HKAF CN1C(=O)C[C@H]2CN[C@@H](c3ccc(-c4cccc(Cl)c4Cl)o3)c3cccc1c32 963020296 FIBHIUUKNOYKTA-AMXDTQDGSA-N 413.304 5.396 0 1 HKAF COc1ccc2c(c1)[C@]1(c3ccc(Cl)cc3C[C@H]1C)N(Cc1ccc(F)cc1)CC2 963303272 OFCUEGIRWDXASH-QUGAMOGWSA-N 421.943 5.982 0 1 HKAF Cc1cc(OCC(=O)Nc2cccc(F)c2)cc(C)c1Cc1ccc(O)c(C(C)C)c1 1857580509 SUBDYMUCRCKQLH-UHFFFAOYSA-N 421.512 5.880 0 1 HKAF Cc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1ccnc(N2CCCCC2)n1 1857755299 IBZQQTNXQLYYHV-UHFFFAOYSA-N 412.562 6.233 0 1 HKAF Clc1ccc(-n2cc(Cn3cc(-c4ccccc4)nn3)c(-c3ccccc3)n2)cc1 1857761984 DNLWYVXWSBKKCA-UHFFFAOYSA-N 411.896 5.500 0 1 HKAF COc1cc(-c2ccc(OCC=C(C)C)cc2)c(OC)c(O)c1-c1ccc(O)cc1 1857763691 JPBPYRBSHJVSNF-UHFFFAOYSA-N 406.478 5.794 0 1 HKAF COc1cc(OC)c(OC)cc1C=C[C@@H]1CCC=C[C@H]1c1ccc(OC)c(OC)c1 2356683772 DPPUNDFHJDXSHJ-FXAWDEMLSA-N 410.510 5.493 0 1 HKAF CC(C)(C)c1ccccc1NC(=O)Nc1nc([C@@H](N)c2ccccc2Cl)cs1 61908677 SPYXZHMPXOLZJI-SFHVURJKSA-N 414.962 5.786 0 3 HKAF C[C@]1(Cc2cc(Cl)ccc2C(F)(F)F)C(=O)Nc2ccc(OC(F)(F)F)cc21 61926256 CRRLMMCAYJNGGD-MRXNPFEDSA-N 423.740 5.710 0 3 HKAF CCCCc1c(-c2ccc(Br)cc2)ncn1CCc1ccccc1OC 95565540 IAKNIYMHJFYBNF-UHFFFAOYSA-N 413.359 5.907 0 3 HKAF O=C(Nc1nc2ccccc2n1Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2 5582235 SIPNTAMWRBIWNG-UHFFFAOYSA-N 400.526 5.175 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@@H]3CC[C@@]21C 12661351 YSWDCQJTPYALJE-RKDZDEPNSA-N 404.635 6.742 0 1 HKAF CC(=O)O[C@@H]1[C@H](C)OC(=O)[C@@H]1CCCCCCCCCCCCC1=C[C@@H](C)OC1=O 13359009 FXNASNSEMIBZQX-GMQQQROESA-N 422.562 5.033 0 1 HKAF biogenic Cc1ccnc(Nc2nc3ccc(C(=O)Nc4c(C)cc(C)cc4C)cc3s2)c1 13536550 UORALWJDAKMZIC-UHFFFAOYSA-N 402.523 5.921 0 1 HKAF CC(C)(C)c1ccc(/C(=C/C(=O)Nc2ccc3c(c2)OCCO3)c2ccncc2)cc1 13606897 PBWNIFYOKBYLPY-XLNRJJMWSA-N 414.505 5.221 0 1 HKAF CC(C)n1cc2c3c(cccc31)[C@H]1C=C(COC(=O)C3CCCCC3)CN(C)[C@@H]1C2 13793998 SKLYFXKRGDTRRB-ISKFKSNPSA-N 406.570 5.226 0 1 HKAF c1ccc2c[n+](CCCCCCCCCCC[n+]3ccc4ccccc4c3)ccc2c1 13859959 ULIWBOHRWMGXPR-UHFFFAOYSA-N 412.621 6.779 0 1 HKAF CC(C)=CCC/C(C)=C\Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O 14711600 GOAUTULGLLBZSR-KTNUBJBCSA-N 408.494 5.745 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C)C(C)C 26385883 DXSCVNXGNJVZAB-QIFABLSXSA-N 412.618 5.013 0 1 HKAF C[C@@H](O)c1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1cccc2ccccc12 26569737 VUGWJNFNAADKDN-YLJYHZDGSA-N 400.497 5.881 0 1 HKAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2[nH]c(C3CCCC3)nc12 26658146 OZDUMOKVDZODEB-UHFFFAOYSA-N 405.285 5.183 0 1 HKAF CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(O)c(C)c3)C[C@@]21C 34802074 ZEBLZCMTSQOFIG-DWFKVPPKSA-N 416.561 5.355 0 1 HKAF O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1-c1cc2ccccc2[nH]1 34866359 YAQQFZJUENSVRR-UHFFFAOYSA-N 412.371 5.773 0 1 HKAF OC1(c2cccc(Cl)c2Cl)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12 40864011 GMEKBIQFYDAEOK-XVQYUUQNSA-N 402.321 5.754 0 1 HKAF Clc1ccc2c(NCCN[C@@H](CCN3CCCCC3)c3ccccc3)ccnc2c1 49088874 YWPPQNOPNLQAMI-QHCPKHFHSA-N 423.004 5.507 0 1 HKAF CCc1cnc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccccc2C)s1 82221551 HOGKVBIMLIDSTE-UHFFFAOYSA-N 418.541 5.932 0 1 HKAF CN(C(=O)c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc2ncoc2c1 96914925 JEXGDJOXWRQUAC-UHFFFAOYSA-N 409.445 5.232 0 1 HKAF CCN(CC)[C@H]1CC[C@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)CC1 101019604 YHVDQBFBKGXKDA-GASCZTMLSA-N 424.372 5.340 0 1 HKAF COc1c(CC=C(C)C)c(O)cc2c1C[C@H](c1ccc3c(c1O)C=CC(C)(C)O3)CO2 103241695 XYUBSZCSRXXLAK-INIZCTEOSA-N 422.521 5.518 0 1 HKAF Cc1nc(N[C@H](C)c2cncc(Br)c2)cc(-c2ccc3occ(C)c3c2)n1 143127694 OMZWRAQNFGDEPL-CYBMUJFWSA-N 423.314 5.837 0 1 HKAF CCCNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2C)O3)s1 145569112 SOGGDGZGNUBLCC-FQEVSTJZSA-N 408.523 5.450 0 1 HKAF O=S(=O)(c1ccc(Cl)cc1)c1sc2ncccc2c1-c1cccc(F)c1 149873923 IUDLBUROBPTJIL-UHFFFAOYSA-N 403.887 5.589 0 1 HKAF O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 168378201 UMQLASXGJFGXFL-HDICACEKSA-N 415.461 5.008 0 1 HKAF CCc1ccccc1-c1nc(NCc2ccc(-c3cccnc3)cc2)c2ccccc2n1 169341305 JGIMFQGUDSIQEA-UHFFFAOYSA-N 416.528 6.533 0 1 HKAF CCCCCCN(C=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169359235 GMEAODWEIDSCAS-XHZYNZNMSA-N 416.650 5.257 0 1 HKAF C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(/C=C/C(=O)O)cc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c1ccc(C(=O)Nc2ccc(-c3ccc(OC4CCN(C)CC4)cc3)cc2)cc1 299821834 MNWVOOCDBSYSLJ-UHFFFAOYSA-N 400.522 5.387 0 1 HKAF Oc1cc(O)c2c(c1)[C@H]1[C@H](c3ccccc3)c3c(O)cc(O)cc3[C@H]1[C@@H]2c1ccccc1 473084037 FHGVIFPIEZTGJJ-ZBVBGGFBSA-N 422.480 5.667 0 1 HKAF CCc1ccc(-c2nc3c(Cl)c(Br)cnc3[nH]2)cc1Br 586977762 RNXGQKOBNQAXHV-UHFFFAOYSA-N 415.516 5.366 0 1 HKAF N[C@@H](Cc1cccc(Br)c1)c1nc2cccc(OCc3ccccc3)c2[nH]1 586984858 VNQUWAWRXAOOAD-SFHVURJKSA-N 422.326 5.147 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cnn(-c4ccc(Cl)cc4)c3)nc3ccc(O)c1c23 586985382 GKZWDZAJTSYMTR-UHFFFAOYSA-N 423.859 5.658 0 1 HKAF Cc1ccc2c3c(cc(-c4cccc5c4OC(F)(F)O5)nc13)-c1ccccc1C2=O 586996172 QBDLDXXELMCXTN-UHFFFAOYSA-N 401.368 5.743 0 1 HKAF Cc1cc(Cl)cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 587027447 QXXLKMLTDGPQME-MNEFBYGVSA-N 413.974 5.661 0 1 HKAF COC(=O)c1ccnc2[nH]c(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc12 587060147 BYBMUVMPRPBWAW-UHFFFAOYSA-N 414.852 5.280 0 1 HKAF Cc1cc(Cl)ccc1OCCCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587067192 XVANGFWAHXZISF-UHFFFAOYSA-N 419.230 6.088 0 1 HKAF Cc1cnc(Cl)c2[nH]c([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc12 587068443 ADWJHYBNXSVZLU-LNLKOLKKSA-N 406.744 6.593 0 1 HKAF Cc1ccnc2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc12 587075856 KQJQQGBCRNZZNY-VKAVYKQESA-N 422.919 6.622 0 1 HKAF FC(F)(F)c1nc(Cl)nc2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c12 587076573 KMOWZKZGVXERJF-UHFFFAOYSA-N 410.186 5.408 0 1 HKAF FC(F)(F)c1cc2nc(C(F)(Br)Br)[nH]c2cc1Cl 587087670 FLDLTNJVQNLSJU-UHFFFAOYSA-N 410.390 5.105 0 1 HKAF Fc1cc2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc2cc1C(F)(F)F 587128066 FEAZVNPLATVOFU-UHFFFAOYSA-N 413.346 6.449 0 1 HKAF COc1cc(-c2nc3cccc(C(C)(C)C)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143334 BXMZABHJEGLPCU-UHFFFAOYSA-N 418.468 6.040 0 1 HKAF Fc1ccc(-c2ccccc2-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1F 587145114 ICTCZYNZSAEYRL-UHFFFAOYSA-N 412.439 6.754 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc(COc5ccc(F)cc5)[nH]c4c3)o2)cc1 587167968 BJQVSBUJGMFXOE-UHFFFAOYSA-N 416.412 5.007 0 1 HKAF CC[C@@]1(c2ccc3c(c2)CCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355887 GVKGGNVGNNRPNQ-AHWVRZQESA-N 418.464 5.521 0 1 HKAF CC(C)[C@@]1(c2cc3ccccc3o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357278 UCIHRAIWDSHHLN-RSXGOPAZSA-N 416.448 6.188 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCS2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587376325 WNRXBWPMQMTBOP-LADGPHEKSA-N 422.477 5.290 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1ccc(F)cc1 587385118 RJPPURDOPLNBDE-QFIPXVFZSA-N 407.441 5.010 0 1 HKAF O=C1C[C@@H](c2ccc(Br)c3ccccc23)Oc2c1ccc1c2CCCC1 587498102 NUAIVVBSFNRGKB-QFIPXVFZSA-N 407.307 6.188 0 1 HKAF Nc1cc(Cl)ccc1[C@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587504859 NTSSNBWOTGUVFX-RUZDIDTESA-N 421.899 5.849 0 1 HKAF O=C1C[C@H](c2c(-c3ccc(F)cc3)nc3sccn23)Oc2c1ccc1c2CCCC1 587508611 QBGAWJXVEMNXBL-HXUWFJFHSA-N 418.493 5.787 0 1 HKAF Cc1noc(C)c1COc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521530 BLDQQQOZNNKJMS-DEOSSOPVSA-N 403.478 5.456 0 1 HKAF CSc1ccc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(Cl)nc2c1 587533447 UDTKHNQFIQOHIT-NRFANRHFSA-N 409.938 6.195 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 587552107 NMXYWEDPWWZKIQ-XUZZJYLKSA-N 418.832 6.009 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(SC(F)(F)F)cc1 587558640 XTDWKFVNAGZRKG-YLJYHZDGSA-N 418.392 5.707 0 1 HKAF CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(C)C 587592825 HLRCDNQMOSUBKN-DHLKQENFSA-N 420.461 5.281 0 1 HKAF CCCOc1ccc(CC)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597720 RRBWXQIKQPEQTM-DHLKQENFSA-N 404.462 5.446 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)Cc1ccccc1-2 587603640 QKECKVOPERXUIW-SHQCIBLASA-N 406.437 5.666 0 1 HKAF CSc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1 587613607 OCKDVXMWOLMGMX-KNQAVFIVSA-N 412.894 5.645 0 1 HKAF C[C@]1(c2sccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614630 TXYLAFWKDLOSIK-BEFAXECRSA-N 417.280 5.093 0 1 HKAF CCOC(=O)c1c(-c2ccncc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627981 NNSUDOKOUPFHGL-UHFFFAOYSA-N 402.294 5.444 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc3ccc(Cl)cc23)N1 587696434 KKTOBGMUCAVGNO-DGIBIBHMSA-N 405.698 5.413 0 1 HKAF CCCC[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587696825 FYWGARAXBMBLBB-RBZFPXEDSA-N 410.758 6.210 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(Cl)c(Cl)c2)N1 587706263 PICLKYKPGLLDIK-PWJLMRLQSA-N 404.110 5.088 0 1 HKAF Cc1cc(C(F)(F)F)ncc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587714274 OWJXPMFSTITEAD-DYZYQPBXSA-N 417.244 5.108 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OC(F)F)N1 587716744 JYHCLUUZFIEKMG-PWJLMRLQSA-N 420.656 5.467 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)c3ccccc23)N1 587730500 JBBQOBIJTLPNSO-GTJPDFRWSA-N 402.282 5.678 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(F)cc3)o2)N1 587733761 LUOZXJTWVDCHPF-YBTHPKLGSA-N 404.254 5.611 0 1 HKAF CC(C)Cn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587754172 DAPLGIXTSMFHRP-JLCFBVMHSA-N 415.350 5.823 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccccn2)N1 587767326 AKJXEHJSMUFWGR-NYHFZMIOSA-N 411.318 5.004 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(F)c(Br)c3[nH]2)c1 587780395 RUDYAHDKTCOUCP-UHFFFAOYSA-N 411.274 6.197 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3ccccc3)c2)N1 587816500 YYORQQASNWTFJL-IQMFZBJNSA-N 410.330 6.053 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(C)cc1C 587859238 UDIANRQHGXYAHN-UHFFFAOYSA-N 419.308 5.592 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c2C)c(OC)c1 587929020 JXUQLBCHYTXKLR-UHFFFAOYSA-N 413.304 6.529 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cnncc2[nH]1 587958177 BHRPUWJQYGBNDT-UUQHCRCUSA-N 404.602 7.207 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@H]1c1ccc(C(=O)c2ccccc2)cc1 962395272 CBODMICGTQUHHI-RUZDIDTESA-N 412.558 5.465 0 1 HKAF Cc1cc([C@@]2(c3cccc(Cl)c3)NCCc3cc(-c4ccccc4)ccc32)ccn1 962673490 YWGGEUMKYRLDHG-HHHXNRCGSA-N 410.948 6.148 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCC2OCCCO2)(c2cccc(F)c2)N1 962948807 OPQRDPSOQFBJAG-CLOONOSVSA-N 408.517 5.018 0 1 HKAF CCCOc1c(Cl)cc([C@H]2N[C@H](CC)Cc3c2[nH]c2ccccc32)cc1OCC 962951556 OETNIOVVYJCOGI-OPAMFIHVSA-N 412.961 6.023 0 1 HKAF Cc1ccc(C)c(CC[C@@]2(c3cc(F)cc(F)c3)NCCc3nc4ccccn4c32)c1 962992085 WYFHAQVDBITLAF-SANMLTNESA-N 417.503 5.251 0 1 HKAF Cc1onc(-c2ccccc2)c1[C@]1(C)c2ccsc2CCN1Cc1cccnc1 962993378 BCEYQRZGIWSMAV-DEOSSOPVSA-N 401.535 5.428 0 1 HKAF Clc1cc(Cl)c2c(n1)CCC[C@]21c2ccsc2CCN1Cc1cccnc1 963014431 SSRPOEZHNMQWOS-NRFANRHFSA-N 416.377 5.483 0 1 HKAF CCc1ccccc1-c1nc([C@H]2NCCc3cnc4c(OC)cccc4c32)cs1 963037939 RDAHZTGFNYBFHA-HSZRJFAPSA-N 401.535 5.164 0 1 HKAF Cc1cc2c(cc1O)[C@@]1(CCCCCCCCCCCC[C@@H](C)C1)N[C@H](C(=O)O)C2 963473116 RDMMZKDFIMKTJF-BLFHIAQRSA-N 415.618 6.216 0 1 HKAF COc1ccc2c(CN3CCC(F)(F)[C@H](CCc4ccccc4OC)C3)c[nH]c2c1 1772578725 JRJHAQOGLFHOBV-LJQANCHMSA-N 414.496 5.275 0 1 HKAF O=C1[C@@H]2C=CC=C[C@@H]2[C@H](c2ccc(-c3ccccc3)cc2)N1c1ccc2nc[nH]c2c1 1772592520 VILUZFCZUPTEBL-ZEVJAHDQSA-N 403.485 5.676 0 1 HKAF COc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3)Oc3cc4c(c(N)c32)CCCC4)cc1 1772632442 MOXOTJQEMDQHML-QFIPXVFZSA-N 423.516 5.832 0 1 HKAF FCC[C@H]1Cc2ccccc2C2(CCC(NC3CCc4ccccc4CC3)CC2)O1 1857632296 KGMAZVVKTTWYSV-AYIJWJHJSA-N 407.573 5.663 0 1 HKAF CC=C(C)c1cc(O)c(C)c2c1Oc1cc(O)c(Br)c(C)c1C(=O)O2 2356399427 VGUULPBRQIBTRW-UHFFFAOYSA-N 405.244 5.225 0 1 HKAF C[C@@H]([C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@]35CC[C@]12C)N(C)C 2356422674 RJNWIZNQHVCLDL-AYWVRNHKSA-N 414.722 6.306 0 1 HKAF CC(C=C[C@]1(C)[C@H](C)CCC(=O)[C@@H]1C)=CCc1c(O)c(Cl)c(C)c(C=O)c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c2ccoc2)[C@@]2(C)CCCC(C)(C)[C@H]12 2356655394 DJGJPNDCXJTXRM-UGCAPWQASA-N 414.542 5.564 0 1 HKAF COc1c(CC=C(C)C)c(O)cc2c1[C@H]1Oc3c(CC=C(C)C)cccc3[C@@]1(O)CO2 2356684568 RVMXTZWFKVXQMJ-FTJBHMTQSA-N 422.521 5.132 0 1 HKAF CCN(CC)C(=O)c1cccc(-c2csc([C@@H](O)c3cccc(Cl)c3)n2)c1 61905235 TYVYSFYCEXROQH-IBGZPJMESA-N 400.931 5.027 0 3 HKAF COc1cc([C@@H]2C=C(c3ccccc3)Oc3cc4c(cc32)OCO4)cc(OC)c1OC 5836437 KFDCXQCCGHOTLJ-KRWDZBQOSA-N 418.445 5.007 0 1 HKAF Cc1cc(C)c(NC(=O)c2ccc3sc(NC(=O)OC(C)(C)C)nc3c2)c(C)c1 13533806 NSUWTHLDBFQWBT-UHFFFAOYSA-N 411.527 5.821 0 1 HKAF CCCCN(C)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12 13607423 DMYKDDKHSWCLSJ-UHFFFAOYSA-N 424.759 5.763 0 1 HKAF COC(=O)[C@H](OC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C)c1ccccc1 13738024 OTPSBOILXJCYBE-LJQANCHMSA-N 413.470 5.073 0 1 HKAF CCC[C@@]1(CCc2ccccc2)CC(=O)[C@@H]([C@@H](c2ccccc2)C2CCCC2)C(=O)O1 18114632 RBPIPBZFKMTZPW-UNCTUWKVSA-N 418.577 6.264 0 1 HKAF Fc1ccc(N(CCCN2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1 22930225 XGYOTQXZXBRBNG-UHFFFAOYSA-N 421.535 5.311 0 1 HKAF C[C@H](C(=O)OCCc1ccccc1)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27558710 YMNUQLHCSOVTHI-IOMROCGXSA-N 408.563 5.671 0 1 HKAF COc1ccc(C(=O)Nc2ccc3nc(NC(=O)C4CCCCC4)sc3c2)cc1 28360955 KPRNVZZQHXERLI-UHFFFAOYSA-N 409.511 5.076 0 1 HKAF CCN(CC)CCCNc1nc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2n1 28771310 BVJXMTYBLGLQFX-UHFFFAOYSA-N 418.372 5.824 0 1 HKAF CC(C)=CCC[C@@]1(C)C=Cc2c(c(O)cc3c4c(oc23)-c2ccc(O)cc2OC4)O1 38628136 DOJCHDKOHMTKAQ-VWLOTQADSA-N 404.462 6.314 0 1 HKAF biogenic C[C@H](CCCO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C 39010722 LPOODSGXYAZRMM-MQBVDHAZSA-N 400.647 6.403 0 1 HKAF O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1CCC12CC3CC(CC(C3)C1)C2 40873561 FWSASOUIFBWQBJ-XIBHIQDMSA-N 410.410 6.174 0 1 HKAF NC(=S)Nc1cccc(OCCCCCOc2ccc(-c3cccs3)cc2)c1 42891805 JIVJINKOVSOJSJ-UHFFFAOYSA-N 412.580 5.699 0 1 HKAF CCNC(=O)Nc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1 45228163 ZMRNUJCKFKNHDT-UHFFFAOYSA-N 424.426 6.057 0 1 HKAF O=C(c1cc(Cl)cc(Cl)c1)N1CC[C@H]2C[C@@H]1c1cc(N3CCCCC3)ccc12 61924190 HIOAILCNYOLLTD-OYHNWAKOSA-N 415.364 6.058 0 1 HKAF CCc1sc(-c2ccccc2C(C)=O)cc1C(=O)Nc1nc2c(s1)CCCC2 72179605 XGNDACAGCASHNH-UHFFFAOYSA-N 410.564 5.768 0 1 HKAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NC3CCCC3)nc2-c2cccc(C)c2)C1 82145520 MPTYFMRATZYCFG-RBUKOAKNSA-N 406.574 5.457 0 1 HKAF CC[C@H](C)Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(F)cc2)n1 82164866 JUAPREYNGUAAIS-HNNXBMFYSA-N 404.514 6.284 0 1 HKAF Cc1nc(-c2cnc(NCC3CC3)nc2-c2ccc(-c3ccccc3)cc2)sc1C 82176490 LVHGTCKRTNGYCY-UHFFFAOYSA-N 412.562 6.373 0 1 HKAF c1ccc(CCn2c(-c3cccs3)nc3c(NC4CCCCCC4)ncnc32)nc1 82190784 RZAIUTPXWVBDHF-UHFFFAOYSA-N 418.570 5.327 0 1 HKAF CC(C)N(C(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(N2CCNCC2)cc1 84633522 YFRABOFOMDNCOG-UHFFFAOYSA-N 423.944 5.065 0 1 HKAF CCOc1ccccc1[C@@H]1C2=C(O)C[C@H](c3ccccc3)CC2=NC(C)=C1C(=O)OC 103544047 KYFPGPXUVIDZIA-KOSHJBKYSA-N 417.505 5.460 0 1 HKAF CCOc1cccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2C)c1 103872659 UBYWTEBDAGVKSW-DEOSSOPVSA-N 416.521 5.841 0 1 HKAF CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2sccc2C)C2=C(O)CC(C)(C)CC2=N1 104699088 ZDDMNFZNAHUICR-NRFANRHFSA-N 421.566 5.843 0 1 HKAF Cc1ccc(Oc2ccc(-c3ccn4c(CC5CC5)nnc4c3Cl)cc2F)c(C)n1 114490819 GBJZXKAWZPIEBG-UHFFFAOYSA-N 422.891 5.945 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@@]21C 135625051 COMISLYNEQPREW-DHGLETAXSA-N 414.674 6.383 0 1 HKAF CCCC[C@@H](Sc1cc(C2CCCCC2)c(O)c(C2CCCCC2)c1)C(=O)O 169321136 JRVAYDYFCCDERM-JOCHJYFZSA-N 404.616 7.223 0 1 HKAF Cc1cc(-c2n[nH]c3c(F)c(NC(=O)N[C@H](C)c4ccc(Cl)cc4)ncc23)ccn1 261170571 SWUBFVLUAIUSJX-GFCCVEGCSA-N 424.867 5.004 0 1 HKAF CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NC[C@@H](O)CC 299876414 FQQMFHBOKYNGIK-ICDZXHCJSA-N 422.569 5.255 0 1 HKAF COc1cc(OC)c2[nH]c([C@H](Cc3cccc(Br)c3)CC(C)C)nc2c1 586981478 CZFVGVYILZEXPG-HNNXBMFYSA-N 417.347 5.715 0 1 HKAF O=C1c2ccccc2-c2cc(-c3c(F)cccc3-n3cccn3)nc3ccc(O)c1c23 586985101 ANAMJAFMEWTXMT-UHFFFAOYSA-N 407.404 5.144 0 1 HKAF COc1ccc2[nH]c3c(c2c1)CCc1c-3nc2ccc(O)c3c2c1-c1ccccc1C3=O 586989831 RFQIRDRDHHAOJF-UHFFFAOYSA-N 418.452 5.407 0 1 HKAF FC(F)(F)c1c(Br)ccc2nc(CSCc3ccsc3)[nH]c12 587026898 NDKZVCLMQKRJAS-UHFFFAOYSA-N 407.280 5.839 0 1 HKAF CC(C)(C)c1cccc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 587069750 FFYQRQJNSFIAJK-PFUYBADASA-N 413.392 7.533 0 1 HKAF Cc1cc(-c2nc3c4c(ccc3[nH]2)CCCC4)ccc1-c1ccc(C(=O)O)c(F)c1 587144587 LPLWUDDNXAZYGY-UHFFFAOYSA-N 400.453 5.921 0 1 HKAF Cc1ccc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 587194152 MUVPGLMEJJRVIX-UHFFFAOYSA-N 411.505 5.295 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(Br)c(F)c2[nH]1 587235778 SOPTXWLUKFAABS-ZYHUDNBSSA-N 412.303 5.015 0 1 HKAF Cc1c(NC(N)=O)cccc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587239672 MYWXLAVOCBLWNA-UHFFFAOYSA-N 402.298 5.067 0 1 HKAF CC(C)[C@@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335830 RODBLPGSWIAGSC-UPVQGACJSA-N 412.407 5.720 0 1 HKAF CC(C)(C)[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339242 YIXLMZSUPQUDJA-RCZVLFRGSA-N 408.444 5.971 0 1 HKAF COc1cccc2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349802 JGRZIGDWVIQTOJ-ILBGXUMGSA-N 404.437 5.131 0 1 HKAF O=C1CCC(C2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)CC1 587350994 IVSUXQMZZROGER-RNUHEBNVSA-N 422.496 5.579 0 1 HKAF CC(C)CC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352471 JKXGLAXQOCYAQG-AOYPEHQESA-N 404.481 6.222 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnccc1-c1cccc(Br)c1)O2 587371981 NCKXUFOUDREIJP-HXUWFJFHSA-N 409.283 5.108 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3C4=CCc5cc(O)ccc5[C@H]4CC[C@@]31C)O2 587403718 KWLIVXGAGZNRQM-YUYPZSSESA-N 415.533 5.463 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2Sc2c(C(C)C)cccc21 587413263 GJDQVLHVJQZMEB-VWLOTQADSA-N 401.531 6.074 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1ccccc1C)[C@@H](C2)C3=O 587430760 GSCQREXDCCIFKA-KDYSTLNUSA-N 422.484 5.345 0 1 HKAF COc1cccc(COc2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587527952 ZUMKUNCDVIHGEJ-SANMLTNESA-N 414.501 5.860 0 1 HKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1Sc1ccc(Cl)cc12 587537395 DTVPFUMKZWJXNQ-VWLOTQADSA-N 418.945 6.592 0 1 HKAF Cc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540124 KSYLVLZEJSYSFX-GHTZIAJQSA-N 411.251 5.166 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cnc(Cl)c1Cl 587550471 BFGWISAUSYCMRK-KDOFPFPSSA-N 422.651 5.450 0 1 HKAF COc1ccccc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587599913 IXCQFDDWOFVLDN-SHQCIBLASA-N 424.452 5.771 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)c3ccccc3Cl)c(-c3ccccc3Cl)[nH]c12 587623248 BHPZSOPCTOANCT-UHFFFAOYSA-N 414.719 7.335 0 1 HKAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)c1 587713637 TYRMVUMOFOZFTD-XYZCENFISA-N 418.228 5.239 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2c1 587783758 GVLYVIKCILMMIB-FMIVXFBMSA-N 418.880 5.752 0 1 HKAF COc1ccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(OC)c1C 587786900 HVJNIMKEFSYFEF-UHFFFAOYSA-N 415.209 5.337 0 1 HKAF CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(C)C 587790675 HGORUSOCLGFBFT-YEJXKQKISA-N 422.338 5.398 0 1 HKAF CCOc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC 587799706 BXGBVKAQSSMPCB-ASSNKEHSSA-N 422.338 5.183 0 1 HKAF CCOc1cccc(OCC)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587801386 KZFHKOOBXIUEHX-LRTDBIEQSA-N 422.338 5.183 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC3CCCC3)cc2)N1 587809686 JCPUHJKHLBYSNW-LRTDBIEQSA-N 404.323 5.533 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2c(Cl)cccc2s1 587864118 LKBZAEQRVKTDIH-UHFFFAOYSA-N 409.820 5.830 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2c(C)c(C)ccc2s1 587869949 VSXJBCJFMVLYRW-UHFFFAOYSA-N 404.417 5.188 0 1 HKAF COC(=O)c1cc2nc(CC3CCC(C)(C)CC3)[nH]c2c(F)c1Nc1ccccc1 587964028 YNMQGKSIOUZNCK-UHFFFAOYSA-N 409.505 5.991 0 1 HKAF Cc1cc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)cnc1Cl 653682125 BVSMEZQQQTUAMN-AWEZNQCLSA-N 408.885 5.103 0 1 HKAF c1ccc(-c2ccc([C@H]3c4ccccc4C[C@@H]4CN(c5ccccc5)CCN43)cn2)cc1 962634069 MAHUTAVXPFEBQY-UHSQPCAPSA-N 417.556 5.585 0 1 HKAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1cccc(Cl)c1)c1ccc(C)c(C)c1 963609497 NJOPOGQUSFPONI-WXTAPIANSA-N 421.968 5.800 0 1 HKAF CCCCC[C@H](O)CCCCCCCCCCCc1cc(O)cc(O)c1C(=O)O 1857541479 FEKXOOAEAZUNSA-FQEVSTJZSA-N 408.579 6.181 0 1 HKAF CC1=C[C@H](CNC(=O)c2ccccc2)[C@H](C(C)C)C[C@@H]1Cc1nc2ccc(C)cc2[nH]1 2356286726 NXFZGXMVFJTUSP-ZLNRFVROSA-N 415.581 5.698 0 1 HKAF CC(C=CC[C@H](C)C=C1C=C(CO)C(=O)O1)=CCCc1coc(Cc2ccoc2)c1 2356312461 ARINKCAHTYUDEB-IBGZPJMESA-N 408.494 5.284 0 1 HKAF CCCC[C@H](O)[C@H](O)C=CC(=CCCCCCCCC(=O)O)Cc1cccc(O)c1 2356370493 ATAJQQPGGBYETR-BJKOFHAPSA-N 418.574 5.145 0 1 HKAF CC(C)[C@@H](C)C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356419893 IJWMVKBLTSNFEG-BIWCPJJFSA-N 412.702 7.657 0 1 HKAF COC(=O)CCC(=O)OC[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@H]12 2356523802 GBNDVFBBFXZTRE-ZODMCCGTSA-N 400.559 5.317 0 1 HKAF CC[C@H](CCC[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356534083 GSPWCMGYYCJPTF-DILSPBCYSA-N 402.707 7.859 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356648326 WOVIRZFRRNEFES-CMALFAGWSA-N 414.718 8.313 0 1 HKAF COC(=O)CC(=O)OCC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CCc1ccoc1 2356660925 VPURRDSZEMLSDB-BUMWVMDLSA-N 402.531 5.097 0 1 HKAF CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356672936 CKGXQXQXIGPTGU-FIDXZMPXSA-N 412.746 9.300 0 1 HKAF Cc1cccc(-[n+]2c(-c3cccc(Br)c3)[nH]c3nc4ccccc4nc32)c1 13125517 AWGSJZXTTNRYCP-UHFFFAOYSA-O 416.302 5.126 0 3 HKAF C[C@]1(c2nnc(-c3cccc(Cl)c3)o2)CC(c2ccccc2Br)=NO1 15937323 VVLSXKTUIRSWLV-GOSISDBHSA-N 418.678 5.192 0 3 HKAF CCCC(=O)Oc1c2c(c(OC(=O)CCC)c3cc(Cl)ccc13)OCCCO2 603465 APJJJHHYAXYMCP-UHFFFAOYSA-N 406.862 5.066 0 1 HKAF O=C(N[C@@H](Cc1ccccc1)c1ccc(O)cc1)C(c1ccccc1)c1ccccc1 13741246 CYLSAWUUFJEGFC-SANMLTNESA-N 407.513 5.624 0 1 HKAF CCn1c2c(c3ccccc31)[C@H](c1ccccc1)C[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21 18145314 GIGCLYBFUBFOQU-FBLLAGFSSA-N 420.512 5.470 0 1 HKAF CCO[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3c3ccoc3)[C@]12C 27408609 VCYLUBLAOSWYSI-RFKFVWFBSA-N 422.609 6.712 0 1 HKAF NC(=O)c1ccc2c(c1)nc(-c1ccc(OCc3ccccc3)cc1)n2C1CCCC1 28572064 XWAJEYPTLLBHCD-UHFFFAOYSA-N 411.505 5.496 0 1 HKAF CCN(Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12)CC1CC1 28903744 PDRNBODQGNNXET-UHFFFAOYSA-N 401.558 5.139 0 1 HKAF C[C@H]1CC=C2[C@H](CCCC2(C)C)[C@@]1(C)CCC1=CC[C@H](C2=CC(=O)O[C@H]2O)OC1 34544979 GWCZMTHDKIPBNV-HIENCCNZSA-N 400.559 5.082 0 1 HKAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C5(C)OCCO5)[C@@]4(C)CC[C@@H]32)C1 38308705 RKDVZUVKDIUZHM-PRLAPGDWSA-N 402.575 5.260 0 1 HKAF CC(=O)N1N=C(c2ccc(-n3cccc3)cc2)O[C@@H]1c1c(Cl)cccc1Cl 40392877 QYUYLVSUIRYOKS-HXUWFJFHSA-N 400.265 5.023 0 1 HKAF CC(C)(C)c1ccc(-c2nc3ccc(-c4nc5ccc(C(=N)N)cc5[nH]4)cc3[nH]2)cc1 40414282 BCJVQDUCOVAMBD-UHFFFAOYSA-N 408.509 5.355 0 1 HKAF ClC(Cl)(Cl)c1nc(Nc2cccc(Br)c2)c2ccccc2n1 43067358 MUDOKYOQDNVCPR-UHFFFAOYSA-N 417.521 5.963 0 1 HKAF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3[nH]c4ccccc4c3[C@H]21 64415741 FXZJPQJVKPPOGA-ZRJLEYOISA-N 401.550 6.676 0 1 HKAF CC(C)OC(=O)OCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl 71316602 CWFSRKOXOMBPCI-UHFFFAOYSA-N 412.269 5.342 0 1 HKAF O=C(NCC1(c2ccc(F)cc2)CCCCC1)[C@@H]1CCCCN1Cc1ccccc1 72113070 BPPAJOIICZUQBF-DEOSSOPVSA-N 408.561 5.199 0 1 HKAF CCc1cnc(-c2cnc(NCc3ccccc3OC)nc2-c2ccc(F)cc2)s1 82164925 JDURWAFHRPDJHD-UHFFFAOYSA-N 420.513 5.589 0 1 HKAF CCOP(=O)(OCC)[C@@H](Cc1cc(F)cc(F)c1)c1sc2ccccc2c1C 84619585 QVXHAEQGELTBNQ-IBGZPJMESA-N 424.449 7.038 0 1 HKAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCC(=O)O)O2 85588782 FKTCHXAVPYGOSM-CUAXAMRHSA-N 418.618 6.879 0 1 HKAF endogenous,in-man CO[C@H]1CC(c2ccc[nH]2)=N[C@@]12O[C@@H](C)C[C@@H]1CCCCCCCc3ccc([nH]3)[C@H]12 87529594 JPTGQNMDWMSVSF-XOLQFJJLSA-N 409.574 5.352 0 1 HKAF in-vitro COc1cccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn23)c1 96168184 JUGLEWLURHXHSG-UHFFFAOYSA-N 408.461 5.446 0 1 HKAF Cn1nc(-c2c(F)cccc2F)nc1-c1cc(-c2ccccc2)c(C(F)(F)F)s1 103173105 FKAKFNWOMWUNMZ-UHFFFAOYSA-N 421.394 6.175 0 1 HKAF Cc1ccc2nc(-c3ccccc3N3C(=O)CS[C@@H]3c3ccc(Cl)cc3)[nH]c2c1 103208321 DHYOZFYCPFVBGH-HSZRJFAPSA-N 419.937 5.970 0 1 HKAF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 103220851 WQIOJXADIUGZPC-QGZVFWFLSA-N 419.197 5.100 0 1 HKAF C[C@H](NCCCCCO)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 148210081 CSKOFFIAJSYKGK-QFIPXVFZSA-N 419.565 5.658 0 1 HKAF CCO[P@](=O)(CC)Oc1cccc(Nc2cc(-c3ccccc3OC)ncn2)c1 169342854 OLXVAZQUMZMLIA-GDLZYMKVSA-N 413.414 5.524 0 1 HKAF C[C@@H](CCc1ccc(F)cc1)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CNCC1 169344080 HHTKRKGUAWUSKZ-DLBZAZTESA-N 409.545 5.822 0 1 HKAF CCC[C@@H]1CC(=O)[C@H]2C(=NC(C)=C(C(=O)OCC)[C@@H]2c2ccc(C(C)(C)C)cc2)C1 169728301 VCSIYSHHCXOHRI-YRUKQIKQSA-N 409.570 5.755 0 1 HKAF CC(C)=CCC/C(C)=C/CNc1nc(N(C)c2ccc(C)cc2)c2ccccc2n1 201827245 KNUASDCXIXUNJF-LVZFUZTISA-N 400.570 6.811 0 1 HKAF O[C@@H]1CN2CCC/C=C\CCCCCC3=C[C@@H]4CN5CCCC/C=C/CC[C@@](C2)([C@H]14)[C@@H]35 238788429 SVFQETJDDGVUQV-ICWNXOTPSA-N 424.673 5.327 0 1 HKAF COc1ccccc1N1[C@H](c2ccccc2)[C@@]12C(c1ccccc1)=Nc1ccccc12 299847112 HUKGLBIOHJMAPH-QWKOWPTQSA-N 402.497 6.286 0 1 HKAF CSc1sc(-c2nc3cccc(Cl)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586919755 GGQLMIOCHVYFRD-UHFFFAOYSA-N 421.396 5.502 0 1 HKAF Clc1ccc(Br)cc1-c1nc2cc(Br)cc(Cl)c2[nH]1 586980161 LVVDDTJHEMSERD-UHFFFAOYSA-N 420.919 6.062 0 1 HKAF COC(=O)c1cc2nc(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)[nH]c2cn1 587082751 FKRUNIUGQFTLRV-UHFFFAOYSA-N 418.840 5.182 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(Cl)cnc2[nH]1 587087310 OBRVKFCWJPAGFK-SREVYHEPSA-N 418.715 5.642 0 1 HKAF Cc1ccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2c1C 587230306 DDUNKXQKALMNPR-UHFFFAOYSA-N 400.482 5.069 0 1 HKAF C[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331121 PIAYCVUTHCXFGE-IFMALSPDSA-N 416.370 5.824 0 1 HKAF C[C@@H]1CCc2c(F)cccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587340019 WTARACGOYBMYNE-CKMSVJFGSA-N 406.428 5.507 0 1 HKAF CC1(C)CCc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587352371 IXYWQBSJZVNBLG-BVAGGSTKSA-N 402.465 5.758 0 1 HKAF COc1ccccc1C[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353129 QNKYJKOURNEAEX-AHWVRZQESA-N 420.480 5.536 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](c2nccn2C)CC3)c1 587362708 KPDSGKZIURGLBD-KRWDZBQOSA-N 409.489 5.663 0 1 HKAF CC[C@H](C)c1ccc(-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C)cc1 587364520 CLDSWRSQZYZLIX-SFHVURJKSA-N 421.540 8.146 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3cc(C)c(Cl)c(C)c3)o1)O2 587377830 ZNWVDJNVXOCKJE-NRFANRHFSA-N 411.885 5.726 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1oc4ccccc4c1N)[C@@H](C2)C3=O 587434675 YGNMBESFTSFICL-SIBVEZHUSA-N 411.457 5.023 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Oc3ccc(OC)cc3)cc1)CC2=O 587485066 YMDOFCQRUIIGFX-AREMUKBSSA-N 418.489 6.026 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512570 YSQPIMDICYUMJU-GGAORHGYSA-N 421.537 5.035 0 1 HKAF O=C1C[C@@H](c2cc3c(Br)cccc3s2)Oc2c1ccc1c2CCCC1 587535625 MZNKMCLZHMYRCS-SFHVURJKSA-N 413.336 6.249 0 1 HKAF C[C@@]1(c2nc(-c3ccccc3)cs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610211 FIWVSGXIHYTVOD-HYBUGGRVSA-N 415.470 5.393 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccccc2)o1 587610686 DPSBSFHJQIQRAD-URXFXBBRSA-N 416.454 5.839 0 1 HKAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(-c3ccccc3)c2c1 587648754 HHZQXAGXQJJJKA-UHFFFAOYSA-N 416.329 6.212 0 1 HKAF Cc1cc(C)c2sc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nc2c1 587656071 AEQDZJCHNUNHPM-UHFFFAOYSA-N 419.456 5.557 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cccc(Cl)c2)N1 587705825 ZNLVOLFBYDKZLB-YUNKPMOVSA-N 419.725 5.656 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CCC(F)(F)F)c2)N1 587708564 BOJYSJSBZHOBRK-ADLMAVQZSA-N 416.256 5.707 0 1 HKAF CC[C@@]1(c2cc(F)c(F)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587712759 AFVHTNCXOKXUHQ-LZVRBXCZSA-N 402.229 5.193 0 1 HKAF Cc1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Br 587784943 WJIXITBJTFYSSW-XFXZXTDPSA-N 419.322 6.383 0 1 HKAF COc1ccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(OC)c1C 587786915 HWRRGJOHZYGQHB-UHFFFAOYSA-N 404.310 5.593 0 1 HKAF Cc1ccc(-c2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)no2)cc1 587790536 CKFDDVRXIAOEPF-MPBGBICISA-N 401.279 5.175 0 1 HKAF CSc1ccc2c(c1)CCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587841909 CNQJKVUBVKSTGM-FKIZINRSSA-N 406.364 5.424 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccsc2N)N1 587844012 LHNBQXAWIWHVFV-YUNKPMOVSA-N 417.347 5.058 0 1 HKAF Cc1cc(Br)sc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587844015 LIQFQOPMPBPBGE-RMLUDKJBSA-N 419.157 5.344 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2csc(Br)c2)N1 587850249 YDMSLLPIEMWYJW-ANRSDYALSA-N 419.157 5.210 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)N[C@H](C)CCCC(C)C 587864015 VXPFUUWDELCDNO-CQSZACIVSA-N 413.509 5.515 0 1 HKAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 587938118 SNEVTWPSVUYQQQ-SANMLTNESA-N 422.553 6.903 0 1 HKAF COc1ccc2c(c1OC)[C@](c1ccccc1)(c1cccc3cc[nH]c13)N(C)[C@@H](C)C2 962616734 AMZKTPLPBCYKJI-MYUZEXMDSA-N 412.533 5.353 0 1 HKAF CCC(C)(C)[C@@]1(c2ccc(SC)cc2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962641287 ZSHLEZLSYHPUFP-CRICUBBOSA-N 413.627 5.982 0 1 HKAF COC(=O)[C@@]1(c2cc(Cl)ccc2Cl)NCCc2cc(-c3ccccc3)ccc21 962659397 GNBHDQKAZOSCIC-HSZRJFAPSA-N 412.316 5.223 0 1 HKAF CCNC(=O)c1cccc(-c2ccc([C@H]3N[C@H](CC)Cc4c3[nH]c3ccccc43)cc2)c1 962946891 MDQNAMAQPLAIAX-ATIYNZHBSA-N 423.560 5.598 0 1 HKAF CCC[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963218033 BMLFQOZICIMGSA-IRLDBZIGSA-N 415.320 5.184 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1sc(Oc2ccccc2)nc1Cl 963585326 UQMUCMNLVXCQTG-SGTLLEGYSA-N 416.930 5.230 0 1 HKAF Cc1cc2cccc([C@H]3NCCc4c3[nH]c3ccc(OCc5ccccc5)cc43)c2[nH]1 963833320 VHCRPIHHLZXYDV-AREMUKBSSA-N 407.517 5.772 0 1 HKAF O=c1c2ccc(Cl)cc2nc(-c2ccccc2)n1-c1nnc(-c2ccccc2)s1 1772575386 VWIAGVWYSJBLRY-UHFFFAOYSA-N 416.893 5.225 0 1 HKAF COc1cc(N(CC2CC2)c2cccc3ccccc23)ccc1C(=O)[C@@H]1C[C@H]1C(=O)O 1772616120 VDEAONBMFRVCMV-FGZHOGPDSA-N 415.489 5.300 0 1 HKAF Cc1ccc(C(=O)c2cc3cc([C@H]4Nc5ccccc5C(=O)N4C)cc(C)c3o2)cc1 1857633321 NSVUGCGTDAIGAS-VWLOTQADSA-N 410.473 5.477 0 1 HKAF CN(c1ccc(Cl)cc1)c1cc2oc(-c3ccc(Cl)cc3)nc2c2ccccc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c4c[nH]c5cccc(c45)C2(C)C)[C@H]13 2356727337 FDTRWEJDZJUQIO-ZLHMQINISA-N 403.610 6.991 0 1 HKAF CCC(Br)=CC=CC[C@@H]1C[C@@H]2O[C@@H](C=C=CBr)C[C@@H]2O1 2356792796 GURBJGFKZHKTEZ-NIQMUJFRSA-N 404.142 5.000 0 1 HKAF CC(C)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(F)cc1Cl 2482123 YTWGOUORKJGGKS-UHFFFAOYSA-N 407.272 5.840 0 1 HKAF C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 3226575 ZTIPVKUHEPBJQA-IBGZPJMESA-N 423.597 5.576 0 1 HKAF C[C@H]1CC/C(=C\c2ccc(F)cc2)C2=C1[C@H](c1ccc(F)cc1)N1C(=O)CSC1=N2 5844583 XXQCGJLVUBZNPV-INNMCQONSA-N 422.500 5.719 0 1 HKAF COc1cc(OC)c2c(c1-c1c(C)cc(OC)c3c(OC)cccc13)C[C@@H](C)N[C@@H]2C 13359204 RVMRJGIRKITWGW-HZPDHXFCSA-N 421.537 5.445 0 1 HKAF biogenic Fc1cccc(Cl)c1CO[C@@H]1c2ccc(Cl)cc2S[C@@H]1Cn1ccnc1 13775794 XQMCWQORDLCOTI-RTBURBONSA-N 409.313 5.761 0 1 HKAF CC(=O)c1ccc(OCc2ccsc2)cc1O[C@@H](CCC(=O)O)c1ccccc1C 13780327 ULMFTQRBVDYESB-QFIPXVFZSA-N 424.518 5.823 0 1 HKAF O[C@@H](CCCN1CC[C@H]2[C@@H](C1)c1ccccc1N2c1ccccc1)c1ccc(F)cc1 26187413 YYTDSKXSYPHJOS-URORMMCBSA-N 416.540 5.649 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 26376842 OYXZMSRRJOYLLO-AOKLGEGISA-N 402.663 6.360 0 1 HKAF C[C@H]1CN(CCc2ccccc2)CC[C@@H]1N(C(=O)c1ccco1)c1ccccc1F 26741354 HDPMDSHVUZALEU-UGKGYDQZSA-N 406.501 5.019 0 1 HKAF CCCOc1cc(OCCC)c2c(=O)cc(-c3ccc(C(F)(F)F)cc3)oc2c1 27088859 PIUZWEHEMFUJHS-UHFFFAOYSA-N 406.400 6.056 0 1 HKAF CCCOP(=O)(CCCCCCOc1ccc(OC)cc1Cl)OCCC 27722604 BWBYJPBAUJBGNN-UHFFFAOYSA-N 406.887 6.334 0 1 HKAF CCN[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H](NCC)c1ccc(Cl)c(Cl)c1 28765269 XPYZJYBYMAZJAO-ROUUACIJSA-N 406.184 6.302 0 1 HKAF CCCN(CCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2ccc3ncccc3c2C1 28821555 CQHDSXVWMDCTFE-IBGZPJMESA-N 403.501 5.113 0 1 HKAF COc1ccc(-n2nc(C[C@H](C(=O)O)c3ccccc3)cc2-c2ccc(C)cc2)cc1 28962727 AJZJWUXUPSJUGO-DEOSSOPVSA-N 412.489 5.267 0 1 HKAF COc1ccc(CCN(C)CCC=C(c2ccccc2)c2ccccc2)cc1OC 29388830 CPRURQDSHHMJQI-UHFFFAOYSA-N 401.550 5.700 0 1 HKAF CCCCN(CCCC)CCCOc1ccc(-c2csc(-c3cccnc3)n2)cc1 29476344 HIYBEEXGYQSUFI-UHFFFAOYSA-N 423.626 6.543 0 1 HKAF COC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2CCCCCc1ccccc1 29488492 FZUMFPXNHOWEJA-ZYQDXHPFSA-N 409.545 5.348 0 1 HKAF FC(F)(F)c1cccc(CNc2cc(Oc3ccc(-c4ccccc4)cc3)ncn2)c1 34297157 OKBUEESLAJYJOD-UHFFFAOYSA-N 421.422 6.567 0 1 HKAF COc1cc(N[C@@H](C)CCCN)c2ncccc2c1Oc1cccc(C(F)(F)F)c1 40465198 MEAQZLHOBBMRAX-AWEZNQCLSA-N 419.447 5.594 0 1 HKAF CC[C@H](CO)Nc1nc(Nc2ccccc2-c2ccccc2)c2ncn(C(C)C)c2n1 45495492 JDCZUOCUARCBDJ-GOSISDBHSA-N 416.529 5.001 0 1 HKAF O=C(O)CCCCOc1ccc(C(=C2C3CCCC2CCC3)c2ccc(O)cc2)cc1 49067427 QPGLSQVEUJHWSX-UHFFFAOYSA-N 420.549 6.428 0 1 HKAF O[C@H]1c2ccccc2CC[C@]1(/C=C/c1ccccc1)Cc1ccc(OC(F)(F)F)cc1 71341997 WCTHZZPZOSCLLW-YKRDXMSESA-N 424.462 6.507 0 1 HKAF CC1=Nc2c(Br)cc(Cl)cc2[C@@H](c2ccccc2)N1CCCN(C)C 72123192 FCRPEAMLVUUEIR-HXUWFJFHSA-N 420.782 5.509 0 1 HKAF CC(C)Oc1cccc(Nc2cc3[nH]c(-c4ccc(C(=O)N(C)C)cc4)cc3cn2)c1 82078607 OHFMTQOAPPEMFT-UHFFFAOYSA-N 414.509 5.463 0 1 HKAF CC[C@H](C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 85645738 RWZXAVHSOHPSBG-PODYLUTMSA-N 400.691 7.635 0 1 HKAF biogenic,in-vitro Clc1ccc(-c2sc3ncnc(NC4CC4)c3c2-c2ccc(Cl)cc2)cc1 96923476 VXDRBLDHZCHCKP-UHFFFAOYSA-N 412.345 6.906 0 1 HKAF CN1[C@@H]2CC[C@@H]1[C@@H](c1cc(-c3ccc(Cl)cc3)no1)[C@@H](c1ccc(Cl)cc1)C2 101165793 WHFIJZLIDVACTG-ZNTQHIFFSA-N 413.348 6.382 0 1 HKAF c1ccc(CCSc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)cc1 103294209 RRNGBTZFKONQGD-UHFFFAOYSA-N 418.670 7.603 0 1 HKAF CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(C)cc2)C2=C(O)CCCC2=N1 103544497 MJOGFMZFFXDVFX-DEOSSOPVSA-N 401.506 5.589 0 1 HKAF CC1(C)CC2=Nc3nc(O)nc(O)c3[C@H](c3ccc(Cl)cc3Cl)C2=C(O)C1 103909252 QIZJWPQUIAJWJD-CYBMUJFWSA-N 406.269 5.045 0 1 HKAF COc1cccc(F)c1-c1cc(Cl)cc([C@@H](CC(=O)O)c2ncc(C)s2)c1 219434917 IZRIGZGQJXEOTP-OAHLLOKOSA-N 405.878 5.526 0 1 HKAF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)n3ccc4ccccc43)CC[C@H]12 253637136 ZKJLGJLBCWOCRC-BKJXROHNSA-N 416.565 5.195 0 1 HKAF COc1ccc(-c2ncn(-c3cc(C)ccc3NC(=O)OCc3ccccc3)n2)cc1 299840288 UVYWFGUROPUSSY-UHFFFAOYSA-N 414.465 5.000 0 1 HKAF Clc1ccc2c(NCCCNCc3ccc(-c4ccccc4)s3)ccnc2c1 299871650 YZNXPZVFUNDZMH-UHFFFAOYSA-N 407.970 6.209 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(Cl)ncc(Cl)c2[nH]1 586981296 OEIGJLNFDYJQCT-UHFFFAOYSA-N 422.113 5.793 0 1 HKAF Cc1cc(F)c2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2c1 586999959 GSCHMPGGYJBIJZ-UHFFFAOYSA-N 411.278 5.447 0 1 HKAF c1ccc2sc(-c3ccc4nc(-c5csc([C@@H]6CCCO6)n5)[nH]c4c3)nc2c1 587017925 PXGAHGKIINIYEK-KRWDZBQOSA-N 404.520 5.815 0 1 HKAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)cs1 587020179 FXIMURZGWALRDV-UHFFFAOYSA-N 422.510 5.750 0 1 HKAF FC(F)(F)c1ncc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc-2[nH]1 587047490 IUPMWMLKSDQZIN-UHFFFAOYSA-N 409.198 5.964 0 1 HKAF Cc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2n1 587074905 FRIQIDWTBOPOKI-VKAVYKQESA-N 422.919 6.622 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c(C)ccc(C)c2[nH]1 587086310 FHABWHWNROHRBK-ZHACJKMWSA-N 411.336 6.210 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(Br)cc3F)nc3cccc1c23 587102650 CKUWWRNKENRUSS-UHFFFAOYSA-N 404.238 6.015 0 1 HKAF N[C@@H](N=O)c1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587111724 RGURHEQIHREICE-INIZCTEOSA-N 416.325 5.109 0 1 HKAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(Cl)c(C)c2[nH]1 587121975 IAGUMLQHUHMDOD-UHFFFAOYSA-N 423.847 6.522 0 1 HKAF Fc1ccc(F)c(SCc2cccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c2)c1 587141072 KLAIFEPGVDJZDJ-UHFFFAOYSA-N 424.369 6.357 0 1 HKAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(C)c(C)cc3[nH]2)c1C 587166130 TUTGUWJNLUVXCF-UHFFFAOYSA-N 419.500 5.515 0 1 HKAF CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2(C)c3nc4cccc5c4c(c3C[C@H]12)CC5 587213344 HJLWPTVRXXOAJF-GBBMKNRASA-N 423.556 5.829 0 1 HKAF O=C1CCCC(=O)C1[C@H]1C2=C(CCc3c2nc2cccc4c2c3CC4)Oc2ccccc21 587217020 SQNMNJAPIQOPMS-VWLOTQADSA-N 421.496 5.105 0 1 HKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 587242569 USNACCLQBLHCHM-UHFFFAOYSA-N 411.815 5.018 0 1 HKAF C[C@@]1(c2occc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319795 DBXGMOPUPJDDFA-FXAWDEMLSA-N 417.230 5.161 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CC=C(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)cc1 587341040 ZULFDLFAFLRCHU-AZGAKELHSA-N 418.439 6.036 0 1 HKAF CCOc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1N 587362333 HLYMDNCNBXYBCT-UHFFFAOYSA-N 410.473 6.305 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCc3c(F)cccc3Cl)c1)O2 587381866 MJLGYRHUBQCERM-JOCHJYFZSA-N 411.860 5.655 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)/C(=C\c2ccc(C(C)(C)C)cc2)N2CCC1CC2 587394153 CXBRBSSPAXQHSD-LMVGNEGFSA-N 416.565 5.345 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc(Br)c4)o1)[C@@H](C2)C3=O 587419124 SMYYXASGWATCDY-BTYIYWSLSA-N 411.251 5.206 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cn(C(C)(C)C)nc1-c1ccccc1Cl)[C@@H](C2)C3=O 587422790 ZYZLHFROKFQPIM-HJPURHCSSA-N 422.912 5.456 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCc3ccccc3Cl)c1)CC2=O 587461053 JMQVEXWDGYZPHJ-DEOSSOPVSA-N 422.908 6.284 0 1 HKAF O=C1C[C@](Cc2ccccc2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587502713 SNQXHRVRIHEPKZ-AREMUKBSSA-N 402.921 6.322 0 1 HKAF Cc1ccc(C)c(-c2nc3ncccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587513785 FJIITOSSLNDTBH-QHCPKHFHSA-N 423.516 5.598 0 1 HKAF O=C1C[C@@H](c2ccc(COc3ccc4c(c3)CCC4)o2)Oc2c1ccc1c2CCCC1 587529394 BFQPPIUFPJEFNW-SANMLTNESA-N 414.501 5.933 0 1 HKAF O=C(O)Cc1cccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587530966 XICUREBGSLFTFN-HHHXNRCGSA-N 412.485 5.102 0 1 HKAF C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551158 XWPUTCNHSADRBN-RXVVDRJESA-N 400.352 5.288 0 1 HKAF C[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599878 IMLFNHPANNCGTN-SQHAQQRYSA-N 424.452 6.062 0 1 HKAF Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)(F)F)o1 587621677 HFFCBSUWOYQNOD-UHFFFAOYSA-N 412.165 5.120 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2ccccc2Cl)N1 587696731 MNLSQFNZUPKNCM-WLRWDXFRSA-N 410.714 5.264 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(C(F)(F)Cl)N1 587704604 JUTFUYYXIKOMBA-PIGZYNQJSA-N 418.684 5.392 0 1 HKAF Cc1cccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587709351 LHGQXVBVPDFGHF-PIGZYNQJSA-N 402.229 5.237 0 1 HKAF COc1cc(C(F)(F)F)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587714149 VEODZZQOGBINPS-XLFHBGCDSA-N 418.228 5.239 0 1 HKAF Cc1ccc(C(F)(F)F)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587715219 XHJPRBWTXOIWJX-DYZYQPBXSA-N 402.229 5.539 0 1 HKAF COc1ccc(Cl)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F 587721514 WOGDMISLMUONRJ-WNWIJWBNSA-N 402.666 5.013 0 1 HKAF CCCOc1cc2nc(COc3ccccc3OCC)[nH]c2cc1Br 587780608 VPNGBVYCZUQUJS-UHFFFAOYSA-N 405.292 5.092 0 1 HKAF CCC[C@H](CC1(c2nc3cc(C)c(F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781424 JDWIMJYYFVXRKP-HXUWFJFHSA-N 422.544 6.372 0 1 HKAF COc1cccc([C@@]2(C(C)(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587807264 KMZFTGWYVSNWAK-LRTDBIEQSA-N 406.339 5.421 0 1 HKAF CC[C@H](C)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587808843 QYAXXSQTQZAHHX-OSRJUQGESA-N 406.339 5.734 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC23CC4CC(CC(C4)C2)C3)N1 587811441 FZMYUCIAXBMZKI-ZQKRVRBUSA-N 406.383 5.944 0 1 HKAF Cc1ccc(C2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 587816625 BJZCSCXLOOTRFW-JUTLFCHVSA-N 402.351 5.984 0 1 HKAF Cc1c(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c(C)c1C=O 587818235 GZTZCMMLBNVXHO-UZJPJQLHSA-N 404.323 5.258 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc3ccccc3o2)(C2CC2)N1 587832773 KXMDNJLPZUNKOJ-GTJPDFRWSA-N 400.291 5.522 0 1 HKAF Oc1ccc(-n2c(O)cc(-c3ccc(Cl)c(Cl)c3)c2O)cc1-c1ccccc1 587927817 YTPJKAZIVNLVOH-UHFFFAOYSA-N 412.272 6.235 0 1 HKAF CC1(C)N(Cc2ccccc2)CCC[C@]12c1cccc(F)c1CCN2[C@H]1CCSC1 962713275 QRMWVEJDBQHPNC-LVXARBLLSA-N 424.629 5.459 0 1 HKAF FC(F)C(F)(F)Oc1ccc([C@@H]2c3ccsc3CCN2Cc2cccnc2)cc1 962998703 POBFLAZMFZFKLC-LJQANCHMSA-N 422.447 5.528 0 1 HKAF O=C(O)CC[C@H]1CCc2cc(-c3cc(OC(F)(F)F)cc(Cl)c3F)ccc2O1 1772610340 RANJMKMDNWDGRM-GFCCVEGCSA-N 418.770 5.603 0 1 HKAF CC1(C)C(=N)Nc2cc(OCCCCN3Cc4ccccc4C3)c(OCC3CC3)cc21 1857557393 CZGCLEVVQLNSLZ-UHFFFAOYSA-N 419.569 5.331 0 1 HKAF CC(C)n1cc(-c2nc3ccccc3nc2Cl)c2cc(Br)ccc21 1857586711 NELCZWYBBIPIQB-UHFFFAOYSA-N 400.707 6.248 0 1 HKAF O=C(COC(=O)[C@H](O)CCCCCCCCCC1CCCCCC1)c1ccccc1 2356476305 AREDOQGUDJBGRZ-XMMPIXPASA-N 416.602 6.255 0 1 HKAF CC=C(CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356490223 ARTLJRSXUMKHFS-SJHFCQTLSA-N 412.702 8.233 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356575021 XXGBPWONQCELLQ-GXHRMCOISA-N 404.679 6.439 0 1 HKAF CC(C)=CCC[C@]12[C@H](O)CC[C@H](C)[C@]1(C)CC[C@H](C)[C@H]2Cc1c[nH]c2ccccc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n1c(-c2ccsc2)c(-c2cccs2)c2cc(-c3cccc4[nH]ccc34)ccc21 36388834 KBVWSUYWEYMBPL-UHFFFAOYSA-N 410.567 7.784 0 3 HKAF O=C(NC1CCCC1)[C@@H](C1CC1)n1c(-c2ccnc3ccccc23)nc2ccccc21 95599139 MWRGTEZSELSOBT-XMMPIXPASA-N 410.521 5.261 0 3 HKAF CC(C)[C@@H](C)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(F)cc1Cl 2483036 UDGJMXHPUQENNL-GFCCVEGCSA-N 404.844 5.715 0 1 HKAF Cc1cc2ncn(C/C=C3\c4ccccc4COc4ccc(C(=O)O)cc43)c2cc1C 3777394 WZXFXUCKNJCHJG-ZVBGSRNCSA-N 410.473 5.376 0 1 HKAF in-vitro CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N1 5092705 KTCRAZKSMCTHBB-JOCHJYFZSA-N 419.500 5.612 0 1 HKAF Fc1ccc(CN2CCC(CCNC(c3ccccc3)c3ccccc3)CC2)cc1 13780920 QWEUHAMEWHLOTG-UHFFFAOYSA-N 402.557 5.807 0 1 HKAF CC/C(Cc1ccccc1)=C(\c1ccccc1)c1ccc(OCN2CCOCC2)cc1 26017917 QMTGDBFTIDIQAK-COOPMVRXSA-N 413.561 5.810 0 1 HKAF COc1ccc(-c2cc(Nc3ccc(F)cc3F)nnc2-c2ccc(OC)cc2)cc1 26397798 KLWZPMGYCLNZET-UHFFFAOYSA-N 419.431 5.850 0 1 HKAF COc1c(C(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)ccc2cc(C(=O)O)ccc12 26724415 RWEQMXLZJQERPT-UHFFFAOYSA-N 416.517 6.127 0 1 HKAF C[C@H](C(=O)OC/C=C/c1ccccc1)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27559645 XWEWIPKKCFHQRD-DFQQCVOQSA-N 420.574 6.142 0 1 HKAF CCOP(=O)(OCC)C(Cc1ccc(Cl)cc1)P(=O)(OCC)OCC 29223137 DPMADDQAHUCVSR-UHFFFAOYSA-N 412.787 5.741 0 1 HKAF CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(-c2ccccc2)s1 38279834 QDPVXMRIMQINRW-UHFFFAOYSA-N 402.523 6.434 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 38512413 NGCDFLLKUVHKMH-BJWOPKJYSA-N 416.650 5.111 0 1 HKAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NCc3ccc(F)cc3)c2)[nH]1 40414243 MIRRNXYKDJNFQO-UHFFFAOYSA-N 408.477 5.751 0 1 HKAF FC(F)(F)c1ccc(CNc2nonc2NCc2ccc(C(F)(F)F)cc2)cc1 45337132 MWVJBONVTITVIC-UHFFFAOYSA-N 416.325 5.331 0 1 HKAF Oc1ccc2oc3ncc(OCc4ccccc4)c(-c4cccc(Cl)c4)c3c2c1 49803456 FDZGNOBUUDIZIX-UHFFFAOYSA-N 401.849 6.586 0 1 HKAF CCCCCOc1ccc([C@]2(c3ccc(O)cc3)C(=O)Nc3c2ccc(F)c3F)cc1 64548506 ZYEKFDSHKXNOKG-VWLOTQADSA-N 423.459 5.526 0 1 HKAF CC(C)N(Cc1ccccc1)C(=O)c1cnc(NCC2CC2)nc1-c1ccccc1 82133775 OUNSROHVTAFWEP-UHFFFAOYSA-N 400.526 5.016 0 1 HKAF O=C(Nc1ccc(Br)cc1)c1ccccc1OCc1ccc(Cl)nc1 103193351 BZSSSHCUGJXKBW-UHFFFAOYSA-N 417.690 5.329 0 1 HKAF CC(C)Cc1ccc([C@H](C)C(=O)N2CCC[C@H]2C(=O)OCCCc2ccccc2)cc1 103284221 ROMCHEBCESHYSR-OFVILXPXSA-N 421.581 5.156 0 1 HKAF CCCCCOc1cc2nnnc(Nc3cccc(OC(F)(F)F)c3)c2cc1OC 103295911 BCWYEXBNOWJQJV-UHFFFAOYSA-N 422.407 5.245 0 1 HKAF COc1ccc(-c2[nH]nc3c2[C@H](c2cccs2)C2=C(O)CC(C)(C)CC2=N3)cc1 103531390 QNWLYPHLCOKZQY-LJQANCHMSA-N 405.523 5.997 0 1 HKAF Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc(F)c(Cl)c2)n1 205846608 IVHVKIKRWWVHOT-CQSZACIVSA-N 421.907 5.818 0 1 HKAF C[C@@H](Cc1ccc(F)cc1)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 221708581 OARQWQUBCPLSIK-SQNIBIBYSA-N 408.557 7.258 0 1 HKAF C[C@H]([C@@H](O)CCC(C)(C)F)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 299804582 HAAJKVUMSLGIDT-ISNSIXMASA-N 420.653 6.452 0 1 HKAF O=C(NCCCCCCn1cc(-c2ccccc2)c2ccccc21)Oc1ccccc1 473120504 DMUAMSUMXRRVSM-UHFFFAOYSA-N 412.533 6.657 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(F)cc4OC(F)F)nc13)-c1ccccc1C2=O 586996863 UHINPYVZFKYNHZ-UHFFFAOYSA-N 405.375 6.162 0 1 HKAF Brc1cnc2c(-c3nc4cc(Sc5ccccc5)ccc4[nH]3)cccn12 587008230 RAMPVQUAXQGZRL-UHFFFAOYSA-N 421.323 5.791 0 1 HKAF Clc1cc(Cl)c2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2c1 587014292 OLTJQIDSHJBACU-UHFFFAOYSA-N 415.132 6.967 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cnc(C(F)(F)F)cc4[nH]3)c21 587030664 IJDBSPBIPGWVRL-NSHDSACASA-N 402.445 5.936 0 1 HKAF Fc1cc(Br)c2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2c1 587033449 VPCRNYLHZWTTDC-UHFFFAOYSA-N 402.292 5.472 0 1 HKAF Clc1ccc(-n2cccc2)cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 587048864 BPUPVCVYXGMJHE-UHFFFAOYSA-N 408.086 5.485 0 1 HKAF Clc1ccc(Cl)c(-c2ccc(-c3nc4nc(Br)c[nH]c-4n3)o2)c1 587050295 HSKDLJGPNITLEO-UHFFFAOYSA-N 410.058 5.301 0 1 HKAF Fc1cc(Cl)cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587070230 HHFJQAWAAWGULC-RMKNXTFCSA-N 413.279 6.758 0 1 HKAF FC(F)(F)c1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2cn1 587071191 KNCKFYCZJUYRCT-UHFFFAOYSA-N 409.198 6.013 0 1 HKAF Cc1ccc(-c2cc(-c3nc4ccc(C(=N)N)cc4[nH]3)c3cccc(Cl)c3n2)o1 587083120 HFVIDBRGMLIUGV-UHFFFAOYSA-N 401.857 5.284 0 1 HKAF Cc1cc2[nH]c(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)nc2c(C)n1 587088119 RYIZTULZLSTIRT-HJWRWDBZSA-N 412.324 5.605 0 1 HKAF FC(F)(F)c1nn(CCc2nc3cc(Cl)c(Cl)cc3[nH]2)c(C2CC2)c1Cl 587116367 FGOWRARSZNBLOM-UHFFFAOYSA-N 423.653 5.859 0 1 HKAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2c(Br)ccnc2[nH]1 587122866 ZZSBYOIIKRFEQS-UHFFFAOYSA-N 423.192 5.143 0 1 HKAF CCOc1cc(/C=C\c2nc3c(Cl)cnc(Cl)c3[nH]2)ccc1OC(F)F 587130731 PAGNILBGSKTDCV-XQRVVYSFSA-N 400.212 5.435 0 1 HKAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(C)cc(F)c4[nH]3)cc2)cc1F 587147803 RYMVSMLDVVJGAC-UHFFFAOYSA-N 405.448 5.157 0 1 HKAF Fc1ccc(/C=C(\c2nc3cc(F)cc(Br)c3[nH]2)c2cccs2)cc1 587164885 YCBFTYDMSAAPSV-ZSOIEALJSA-N 417.278 6.254 0 1 HKAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cccc(F)c3[nH]2)c1C 587166016 PUCAAACUKOIBOQ-UHFFFAOYSA-N 409.436 5.037 0 1 HKAF Cc1ccn2c(C)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)nc2c1 587335640 HZBJAKDYUULKMV-RDGATRHJSA-N 416.452 5.070 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2SCCS[C@@H]2C3)c1 587365812 HNNKRHGUYASELF-JPYJTQIMSA-N 405.544 6.102 0 1 HKAF COc1ccc([C@@]2(c3ccccc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)c1 587419871 NCOMDGGBZGEKIV-NLFFAJNJSA-N 420.892 5.357 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccccc1O[C@@H]1C[C@H]4CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O 587440131 ALPIDDNSAQOWOY-MGUCWGPSSA-N 418.533 5.778 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(-c3cnn(CC)c3)cc3ccccn13)CC2=O 587483582 CXKIYWZFFVFHQF-HSZRJFAPSA-N 415.493 5.187 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C=C(SC)SC)(c1cccnc1)CC2=O 587493084 QKJOVIHRBAEBCB-OAQYLSRUSA-N 401.553 5.168 0 1 HKAF CC(=O)c1ccc(C(=O)[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524081 NDELYSRDGDPFLE-MUUNZHRXSA-N 424.496 5.512 0 1 HKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)cc1Cl 587542881 JSFWOKXGHFYYQV-GHTZIAJQSA-N 401.245 5.710 0 1 HKAF C[C@@]1(c2cccc(-c3cccc(O)c3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607058 HALXHERNPRFVCS-SQHAQQRYSA-N 424.452 5.642 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1cccs1 587615588 XHQJRKDXCRKQDP-QPPBQGQZSA-N 400.455 5.824 0 1 HKAF CC(C)c1ccc([C@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3cccc(F)c23)cc1 587632921 NTRJDHDNEUTZLZ-NRFANRHFSA-N 421.899 6.967 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)ccnc2Cl)N1 587704679 KOWXBGIKGFNWNY-PWJLMRLQSA-N 404.110 5.088 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(F)c(Cl)c2)N1 587721444 VTJMXWFYMCKFML-HYORBCNSSA-N 407.085 5.658 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN([C@H](C)c3ccccc3)CC2)N1 587766656 HAPHTGWHFMKIIE-HZPDHXFCSA-N 417.366 5.175 0 1 HKAF Cc1noc(-c2ccccc2)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587798792 WDPQSFGUIPZVMB-JEOXALJRSA-N 401.279 5.175 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1/C=C(\C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587816667 ZRPLXCFTMIBWOE-SXDDTFDZSA-N 420.410 6.666 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(c2ccccc2)c2ccccc2)N1 587821511 VDLONVHJFCNHQH-WNSKOXEYSA-N 410.330 5.996 0 1 HKAF Cc1ccccc1-c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587827251 IYSNTPUAXFDACQ-YEJXKQKISA-N 400.291 5.780 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)sc2Cl)N1 587842467 FKYMMSFYBAHTNB-MLXNANBUSA-N 409.151 5.754 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3)s2)N1 587849585 UIBFMYGHDYCTDE-MPBGBICISA-N 402.332 5.940 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C)nc2cc(Cl)ccc12 587861263 PPPAZWWZLJSNPK-UHFFFAOYSA-N 417.818 6.077 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccc(Cl)cc2o1 587865374 XHRXLRNFXCDJIX-UHFFFAOYSA-N 407.779 5.751 0 1 HKAF CCCCc1ccc(-n2c(O)cc(-c3ccc(Cl)cc3)c2O)c(Br)c1 587938067 YKGQTTVUOUVFMA-UHFFFAOYSA-N 420.734 6.314 0 1 HKAF FC(F)(F)C(F)(F)c1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cn1 587948465 DCTURFHFGOMHQK-UHFFFAOYSA-N 419.353 5.995 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c(O)ncnc2[nH]1 587958389 FWVAMDDVVBEYFX-RCHUDCCISA-N 420.601 6.913 0 1 HKAF c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@@H]3c3cnc(C4CCCC4)s3)C2)cc1 962630585 KDKKQXIWCYQABN-WIOPSUGQSA-N 415.606 5.637 0 1 HKAF CCOC(=O)CCC[C@]1(c2cccc(OC)c2)N[C@@H](CC)Cc2c1[nH]c1ccccc21 962961326 UNJCPWQEMWEHKY-AFMDSPMNSA-N 420.553 5.078 0 1 HKAF CCCCCc1ccc([C@@]2(C(F)(F)F)c3ccccc3C[C@@H](C)N2CCC)cc1 963241868 OETHAFVJFIDLAP-DVECYGJZSA-N 403.532 6.882 0 1 HKAF CCC[C@@]1(c2cccnc2)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963905703 ZZJFYCZTYMGGHB-CJFMBICVSA-N 424.541 5.070 0 1 HKAF COC1CCN(Cc2nc(-c3ccc(C(C)C)cc3)n(-c3ccc(F)cc3)c2C)CC1 1857596265 DWNYEBKEVPXDOL-UHFFFAOYSA-N 421.560 5.721 0 1 HKAF O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2[C@H]1c1ccccc1 1857604636 OUAZBTMDKBUPEM-LJQANCHMSA-N 403.334 6.235 0 1 HKAF Cc1ccc(CO[C@H](c2ccccc2)c2cnc(NC(=O)c3cccs3)s2)cc1 1857608401 LSGKZQNNFRFAGQ-OAQYLSRUSA-N 420.559 6.072 0 1 HKAF C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@H]3[C@@]1(C)[C@H]2C 2356329163 VPLTWAWMSJNNFM-ZHXSTHLLSA-N 416.646 5.794 0 1 HKAF CC(C)[C@H](O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356386997 DGZVTDWQDGXMNS-NXOHFOIRSA-N 404.679 6.439 0 1 HKAF CC(C)=C[C@@H](CO)C(C)=CCCC(C)=CCC[C@@]1(C)CCc2cc(O)cc(C)c2O1 2356417932 QTEJGXGKZMMAET-IGKIAQTJSA-N 412.614 6.812 0 1 HKAF CC(C)=CCC[C@@](C)(O)[C@H](O)CCC(C)=CCCC(C)=CCc1c[nH]c2ccccc12 2356442814 QSCZFXVTYWFEJV-VSGBNLITSA-N 423.641 7.022 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1C(=O)CC[C@]2(C)[C@H]([C@H](C)CC[C@@H](C)C(C)C)CC[C@H]12 2356468703 NNSREHRCNOEXOH-ACXOGPKWSA-N 412.658 7.353 0 1 HKAF CC(=O)O[C@@H]1C[C@H]2C(C)(C)CC=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](CC[C@H]3c3ccoc3)[C@]12C 2356522652 OIYMSAOAFKGCMV-ODJIZEBOSA-N 424.625 7.140 0 1 HKAF CC(C)=CCCC(C)=CC[C@@]12CCN(C)[C@H]1Nc1c2ccc(Br)c1O 2356553377 XZWZAEHOBMJOPL-RTWAWAEBSA-N 405.380 5.562 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H](CCc3cc(O)ccc3C)C(=O)CC[C@@]12C)C(C)C 2356643100 HIHARYSBUQWZCH-HHZLJCDOSA-N 424.669 7.663 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356663861 YECJZKKYJKAQCL-CNLNYFAJSA-N 414.718 8.169 0 1 HKAF CCC1=C[C@](C=Cc2ccccc2)(CC)[C@](CC)(C(=O)O)[C@@H]2[C@H](C)C(=O)[C@H](CC)[C@@H]12 2356681149 IJBZGABOCOJLTC-XQJDSMKUSA-N 408.582 6.405 0 1 HKAF CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCN(CC)CC 4212596 PRBSUYPHQFSHBH-ZEQRLZLVSA-N 415.622 5.282 0 1 HKAF C[C@H](Nc1oc(-c2ccccc2)nc1-c1ccc(C(F)(F)F)cc1)c1ccccc1 8860598 YOMLHWOHMGEIKR-INIZCTEOSA-N 408.423 7.201 0 1 HKAF COc1c2c(c(CC=C(C)C)c3oc(=O)cc(-c4ccccc4)c13)O[C@@H](C)[C@H](C)C2=O 13382523 CHVBVEFGTFMKNL-HOTGVXAUSA-N 418.489 5.577 0 1 HKAF biogenic COc1cc(O)c(C)c(O)c1C(=O)[C@@H]1CC(CCC=C(C)C)=CC[C@@H]1c1ccccc1 13410483 JOEBLRXPBOSMJF-FGZHOGPDSA-N 420.549 6.464 0 1 HKAF biogenic CCCC(=O)c1cnc2c(OCCCC(N)=O)cccc2c1Nc1c(C)cccc1C 13742252 FSWDNRRZCWHEFS-UHFFFAOYSA-N 419.525 5.222 0 1 HKAF C[C@]12CC[C@H]3[C@H](CC[C@H]4Cc5oc(C(=O)c6ccccc6)cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 27419917 QQZREEIDGFPMCP-FUKVGTOJSA-N 418.577 5.829 0 1 HKAF C[C@H](CN1CCC1)N1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 29125809 MNJNLAIYCRRRFC-LJQANCHMSA-N 418.560 5.156 0 1 HKAF COc1ccc([C@H](c2ccc(OCCN3CCCCCC3)cc2)c2cccs2)cc1 29130700 NYUVONLKHDORDU-AREMUKBSSA-N 421.606 6.192 0 1 HKAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 36350290 GIQHGRUKLUVHHK-JFGSOSTDSA-N 415.581 5.201 0 1 HKAF C[C@@H](N[C@@H]1CCCC[C@H]1NC(=O)c1cc2ccccc2[nH]1)c1cccc2ccccc12 36476040 SUYCCRXPMQTQEW-ZYKLXPEUSA-N 411.549 5.713 0 1 HKAF CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccc(F)c(Cl)c1)c1ccccc1 43206884 QLPRQNYLYLYJRE-OAQYLSRUSA-N 421.903 5.758 0 1 HKAF Brc1ccc([C@@]2(CC3CCOCC3)c3ccccc3-c3nccn32)cc1 72112287 UWCXLWPOSUKSGW-QFIPXVFZSA-N 409.327 5.235 0 1 HKAF COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(O)c(CC=C(C)C)c1 72175317 YEVBMDOXFLFVJJ-UHFFFAOYSA-N 406.478 5.663 0 1 HKAF biogenic,in-vitro Clc1ccc2nc(NCCCNCc3ccc(Cl)c(Cl)c3)sc2c1 84586653 SZMJFNRAXWMVGJ-UHFFFAOYSA-N 400.762 5.848 0 1 HKAF CCc1nn2c(-c3ccc(OC)cc3Cl)cccc2c1N(CC1CC1)CC1CC1 84690292 KVASTLRGMIBAPG-UHFFFAOYSA-N 409.961 5.852 0 1 HKAF C/C(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/CO)[C@H]1C=C2C(C)(C)C[C@@H](O)C[C@]2(C)O1 85673592 OOJOUQLXWXASLN-AQIJQYPXSA-N 410.598 5.751 0 1 HKAF in-man O=C(c1cncnc1Oc1cc(Cl)ccc1Cl)N1CCSc2ccccc21 95571777 BTGSXBIRMLXHTN-UHFFFAOYSA-N 418.305 5.328 0 1 HKAF Fc1c(Cl)cccc1-c1nc2ccn(Cc3ccc(OC(F)(F)F)cc3)cc-2n1 100068527 UVQAXTOLGBMLLQ-UHFFFAOYSA-N 421.781 5.789 0 1 HKAF COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@H]2CC[C@H]1N2CCCCCc1ccccc1 100793259 FZUMFPXNHOWEJA-VPBXCIAMSA-N 409.545 5.348 0 1 HKAF Cc1ccsc1C(=CCCN(C)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1sccc1C 101661501 FEGGKQVAYBVKDT-QGZVKYPTSA-N 413.608 5.455 0 1 HKAF COc1ccc(Oc2cc(NC[C@H]3CC[C@@H]4C[C@@H]3C4(C)C)ncn2)c2ccccc12 104930700 ZNTNTKVQCJZOOE-HLIPFELVSA-N 403.526 5.915 0 1 HKAF CN1C/C(=C\c2ccccc2)C2=NN(CCCc3ccccc3)[C@@H](c3ccccc3)[C@@H]2C1 169328460 OZJKSULROWWVTD-QAKRKRASSA-N 421.588 5.677 0 1 HKAF COc1cc(OC)cc(-c2nnc(Nc3csc(-c4ccc(C)cc4)c3)s2)c1 169350797 VPAMHDANINLXDJ-UHFFFAOYSA-N 409.536 6.003 0 1 HKAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1nc2ccccc2s1 169722355 SUVGGIIPTFDMFF-RBUKOAKNSA-N 413.333 6.279 0 1 HKAF Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1nc(C(C)C)[nH]c1Cl 220781819 OQSWJTJDSSPLLX-UHFFFAOYSA-N 418.928 5.273 0 1 HKAF Cc1nc(Nc2cc(C(C)C)ccn2)cc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 299868510 ROSFWOBLBMDAEV-OAQYLSRUSA-N 415.541 5.067 0 1 HKAF CO[C@H]1OC[C@]23CCC[C@]1(C)[C@@H]2CC[C@@]1(C)[C@@H]2Cc4ccccc4O[C@@]2(C)CC[C@H]31 473132751 VYTRYBMUYJDNIN-RGCARSLISA-N 410.598 6.002 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(F)cc(Br)c3[nH]2)c1 586878162 DCYGGZNRDNSAMG-UHFFFAOYSA-N 423.285 5.979 0 1 HKAF CCc1oc2ccccc2c1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586904652 XQBHSOHTJVZOKS-UHFFFAOYSA-N 409.205 6.320 0 1 HKAF Brc1ccc([C@H](c2nc3cnc4ccccc4c3[nH]2)N2CCCC2)cc1 586984835 POCCIFGRQDULBH-HXUWFJFHSA-N 407.315 5.059 0 1 HKAF COC(=O)c1ccc2[nH]cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2c1 586989699 PVPXDEJHQYONAC-UHFFFAOYSA-N 420.424 5.087 0 1 HKAF CCCC(=O)Nc1ccc(O)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 586994955 BZYONFYEDMBJJL-UHFFFAOYSA-N 422.484 5.866 0 1 HKAF O=C(O)c1cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2cc1F 587015916 YGUFZNSDDLECNP-UHFFFAOYSA-N 408.241 5.498 0 1 HKAF CC(C)Oc1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2cc1Br 587028668 ZOPDSHJVKCGGGG-UHFFFAOYSA-N 414.328 5.903 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4nc(Br)ccc4[nH]3)c21 587032111 YWHNPSMOEKITPR-LLVKDONJSA-N 413.344 5.679 0 1 HKAF Cc1cc(Cl)cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587071482 NKZNSGOTEFWQDG-JXMROGBWSA-N 409.316 6.928 0 1 HKAF O=C(O)CCc1c(-c2cc(F)cc(F)c2)nc2cccc3c2c1-c1ccccc1C3=O 587104405 SWTKEBZKYHDGQX-UHFFFAOYSA-N 415.395 5.409 0 1 HKAF COC(=O)c1ccnc([C@@H]2CCCc3c2nc2cccc4c2c3-c2ccccc2C4=O)c1 587107950 XCXJRSFUXWLLMP-SFHVURJKSA-N 420.468 5.096 0 1 HKAF Cc1cc(Br)cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 587126270 WSTMYOHFACBGTD-QPJJXVBHSA-N 413.262 6.416 0 1 HKAF CCS(=O)(=O)c1ccc2nc(-c3ccc(F)c(-c4ccc(C(C)=O)cc4)c3)[nH]c2c1 587139241 DJXPWAWPRJODHY-UHFFFAOYSA-N 422.481 5.032 0 1 HKAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2c1 587152628 BIJPAGJZNVFZPJ-UHFFFAOYSA-N 423.513 5.067 0 1 HKAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 587159026 LDLVBQSMVVZAEY-UHFFFAOYSA-N 412.346 5.607 0 1 HKAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 587199046 XPOIYSIUTUUYOA-UHFFFAOYSA-N 410.399 5.108 0 1 HKAF COc1cccc(-c2c(C)c(CC(=O)c3ccccc3)nc3c2oc2ccccc23)c1 587365207 IOFMPPSICQDMMM-UHFFFAOYSA-N 407.469 6.390 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1cccc(C(F)(F)F)c1)CC2=O 587464772 XZHONIRMVHFHJX-OAQYLSRUSA-N 415.411 5.861 0 1 HKAF CCN(CC)Cc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC 587501925 CWGNTPGIJVUHOM-AREMUKBSSA-N 407.554 5.296 0 1 HKAF C[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550681 WACVPMFTNDSNML-NQIIRXRSSA-N 400.352 5.288 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1c2ccc(Cl)c1Cl 587551550 GSLYUVBQUTWPJG-GCJKJVERSA-N 413.256 5.502 0 1 HKAF Cc1ccc(O)c(C(=O)c2c(-c3ccc(Cl)cc3)[nH]c3cc(Cl)c(F)cc23)c1 587628876 SSWZPNXQVWIIDD-UHFFFAOYSA-N 414.263 6.526 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)ccc2Cl)N1 587698158 YIUGFDCITQEFTP-WYRIXSBYSA-N 410.758 6.163 0 1 HKAF CC[C@]1(c2cc(F)c(F)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587712756 AFVHTNCXOKXUHQ-DYBLOJMWSA-N 402.229 5.193 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2C(F)(F)F)N1 587713286 SKPNUNXJDWMLQL-DYZYQPBXSA-N 402.229 5.405 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC(F)(F)F)c2)N1 587714865 BKDMYLMPKZRIQI-JDNHERCYSA-N 404.201 5.110 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3cccc(F)c3)n2)N1 587731404 LPNXRPGNOBDGCH-XTZNXHDOSA-N 421.310 5.474 0 1 HKAF CCCCC[C@H](C(=O)OCC)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587797117 LTSKYWNFFCWJLW-RCDCFZSISA-N 414.359 5.097 0 1 HKAF COc1ccc2occ([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587825861 BAUKAUQPHHTIAV-PRWKNARSSA-N 404.279 5.141 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)CN1CCCCCC1 587858996 FSHSMCHZWXMPBA-HNNXBMFYSA-N 424.372 5.408 0 1 HKAF CCc1ccc2nc(Cl)c([C@@H]3c4cc(OC)c(OC)cc4C[C@@H](C)N3C)cc2c1 962619811 GOWOFZLJVSUVPT-FATZIPQQSA-N 410.945 5.434 0 1 HKAF Cc1c([C@@H]2NCCc3cccc(-c4ccccc4)c32)c(C)n(C[C@@H]2CCCO2)c1C 962667673 PIXUFSJJSPKTLC-HOFKKMOUSA-N 400.566 5.494 0 1 HKAF Cc1c([C@H]2NCCc3cccc(-c4ccccc4)c32)c(C)n(C[C@@H]2CCCO2)c1C 962667679 PIXUFSJJSPKTLC-WNCULLNHSA-N 400.566 5.494 0 1 HKAF CC1(C)C2=C[C@]3(CC(C)(C)[C@]24CC[C@H]1C4)N[C@@H](C(=O)O)Cc1c3cnc2ccccc12 963237780 UJNTZEZGUXZYIF-YOUBCVCJSA-N 416.565 5.212 0 1 HKAF O=S(=O)(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc(Cl)c(Cl)c1 1857584428 BFFQYKUVLBOQCF-UHFFFAOYSA-N 419.289 5.602 0 1 HKAF CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3C[C@@H](F)c3cccnc32)CC1 1911574487 XFNHWMQOTLCYCD-LJQANCHMSA-N 400.881 5.356 0 1 HKAF CC=C(CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356412760 AMBIHAYAXSFGSZ-FDTCTUJQSA-N 412.702 7.945 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(C=Cc4ccccc4)=CC[C@H]32)C1 2356471919 FLDVEKQSXXBPDV-RERXQODOSA-N 418.621 7.211 0 1 HKAF CC(C)=CCCC(C)=CC[C@]12CCN(C)[C@@H]1Nc1c2ccc(Br)c1O 2356553375 XZWZAEHOBMJOPL-LEWJYISDSA-N 405.380 5.562 0 1 HKAF CO[C@@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]3[C@H]12 2356651669 WCLAESSRAKSOIR-MMBDJHHKSA-N 416.690 7.014 0 1 HKAF COc1ccc([C@@H]2C=CCCC=C[C@H]2c2cc(OC)c(OC)cc2OC)cc1OC 2356689419 IWWCDRYEUXVJDV-RBUKOAKNSA-N 410.510 5.503 0 1 HKAF CC(C)=CC(=O)OC=C[C@@H]1c2cc(C)oc2[C@@]2(O)COC(C)(C)[C@@H]3CC[C@@]1(C)C[C@H]32 2356711589 HHCQPXDZMHHIQI-BSZDHZQVSA-N 414.542 5.127 0 1 HKAF CC(C)c1ccc(CN2C(=O)[C@H](n3ccc4ccccc43)c3cc(Cl)ccc32)cc1 206026960 IEGWSCCZKOOSAE-RUZDIDTESA-N 414.936 6.554 0 3 HKAF CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCC[C@@H]4C)cc3)cc2)CC1 13488942 FOYKBJJFKMBMBU-QFIPXVFZSA-N 420.597 5.479 0 1 HKAF Cc1ccc2cccc(N3CCN(CC[C@@H](O)c4csc5ccccc45)CC3)c2n1 13491135 XSXIANABPCNAPP-HSZRJFAPSA-N 417.578 5.004 0 1 HKAF O=C(O)c1ccc2c(c1)OCC(c1ccc(O)c(C34CC5CC(CC(C5)C3)C4)c1)=C2 13815522 HOSPAGARPOGDKT-UHFFFAOYSA-N 402.490 5.491 0 1 HKAF C/C(=C\Cc1cc(O)cc(C)c1O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 14592911 GTWCNYRFOZKWTL-ZBWFQAOJSA-N 402.663 8.334 0 1 HKAF endogenous,in-man C[C@@H]1Oc2c(c3c(c4oc(=O)cc(-c5ccccc5)c24)C=CC(C)(C)O3)C(=O)[C@@H]1C 14768068 JCKXVEVCXNXGQW-KGLIPLIRSA-N 402.446 5.244 0 1 HKAF biogenic,in-vitro O=C(O)c1c(O)cccc1OCCC(c1ccccc1)(c1ccccc1)c1ccccc1 26744071 ZMSXXURALTUBNQ-UHFFFAOYSA-N 424.496 5.894 0 1 HKAF Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(C)CC1 27527011 MBMINCLYOIWYHU-UHFFFAOYSA-N 411.977 5.699 0 1 HKAF CCCN1C(=O)c2ccccc2[C@]1(OCc1ccc(C(C)(C)C)cc1)c1ccccc1 28120793 RPWQKLPFOILBFQ-MUUNZHRXSA-N 413.561 6.268 0 1 HKAF O=C(O)C[C@@H](c1cnc[nH]1)N(CCCc1ccccc1)Cc1cccc2ccccc12 28341861 QSBYZRXJVFGFGA-VWLOTQADSA-N 413.521 5.214 0 1 HKAF O=C1O/C(=C\c2cccc(-c3cccc(Cl)c3)c2)C(O)=C1c1cccc(Cl)c1 28567759 SDIGOEROZGCBBY-JAIQZWGSSA-N 409.268 6.527 0 1 HKAF O=C(O)COc1c(O)cc(-c2ccc(C(F)(F)F)cc2)cc1OCc1ccccc1 28825961 YEZSSEUKBVVUDE-UHFFFAOYSA-N 418.367 5.120 0 1 HKAF CCC(=O)C(CCCCCCOc1ccc(OCCN(CC)CC)cc1)C(=O)CC 32138850 VBIOIDOTUZBWHF-UHFFFAOYSA-N 419.606 5.311 0 1 HKAF CC(C)c1nccc2c1c(Sc1ccc(Cl)cc1)c1n2CC[C@@H]1CC(=O)O 36401004 UZUFRBHACHDPRP-CYBMUJFWSA-N 400.931 5.926 0 1 HKAF COc1cc2c(cc1OC)Oc1ncnc(Nc3ccc4ccccc4c3)c1NC2 38149523 LFTOKNMMPDLTKB-UHFFFAOYSA-N 400.438 5.108 0 1 HKAF O=c1c2ccccc2n2c(-c3ccccc3Cl)nnc2n1-c1ccc(Cl)cc1 40899700 OSAGWOIXVZVHNW-UHFFFAOYSA-N 407.260 5.007 0 1 HKAF O=C(CCc1c[nH]cn1)Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1 45337317 GEFVPNCYVLCYOK-UHFFFAOYSA-N 407.477 5.191 0 1 HKAF CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)c(C(=O)COC=O)n2C1 66123000 BHRCPDVLMDNFLG-UHFFFAOYSA-N 407.897 5.414 0 1 HKAF CNC(=O)c1cc(Oc2ccc3oc(Nc4cccc(C(C)C)c4)nc3c2)ccn1 71340539 WUCCZYGBRBDZJF-UHFFFAOYSA-N 402.454 5.242 0 1 HKAF Cc1cccc(-c2nc(NC3CCCC3)ncc2C(=O)N(CC(C)C)CC(C)C)c1 82147346 IPBZFRLYSMBEMQ-UHFFFAOYSA-N 408.590 5.561 0 1 HKAF Cc1cccc(-c2nc(N3CCOCC3)ncc2-c2ncc(-c3ccccc3)s2)c1 82173296 QWZLYLFHLKOWSU-UHFFFAOYSA-N 414.534 5.079 0 1 HKAF CC[C@H](C)NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(F)cc1 82216446 VXAOFKDUEFHRFH-SCMUXVNPSA-N 424.564 5.294 0 1 HKAF CC(C)=CCC[C@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1[C@@H](O)C3 85894603 BHMYRYNHHQYGTN-UIHVZVRTSA-N 414.674 6.814 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 96086383 HGGDUZQCHPXQPL-WQBKXUAISA-N 414.674 6.382 0 1 HKAF in-vitro Cc1csc(Nc2ncc(SCc3ccccn3)cc2OCc2ccccc2)n1 96284846 TXLNHUDZSIYHSY-UHFFFAOYSA-N 420.563 5.856 0 1 HKAF Clc1ccc(N2[C@H](c3ccccc3)[C@]23C(c2ccccc2)=Nc2ccccc23)cc1 103276150 OLKAHVVUDOZSQY-QERCTFSXSA-N 406.916 6.931 0 1 HKAF CCCN(Cc1ccccc1)c1cccc(C(=O)N2CCc3ccc(O)cc3C2)c1 103301237 APJHLLZRZUTMAT-UHFFFAOYSA-N 400.522 5.007 0 1 HKAF C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 118913811 CIBAPVLFORANSS-DSGYCFMMSA-N 414.630 6.002 0 1 HKAF in-vitro C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CN2 118914964 XYNPYHXGMWJBLV-IBEGYNIXSA-N 415.662 5.367 0 1 HKAF endogenous,in-man CC(C)CC[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118915280 IPYACDRNRIVGLI-DMUCZSEVSA-N 404.679 6.439 0 1 HKAF in-vitro O=C1CSC(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc3ccccc3c2)=N1 169336306 UIQDOXQEBKINNM-HXUWFJFHSA-N 405.910 5.274 0 1 HKAF OCCc1ccc([C@]2(c3cccs3)C[C@@H]3c4ccccc4[C@@H]2c2cccc[n+]23)s1 169337918 IZEPCKLRFRANHV-NQHRYMMQSA-N 416.591 5.057 0 1 HKAF O=C(c1ccc(C(F)(F)F)cc1)c1sc2cc(O)ccc2c1-c1ccc(F)cc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c1ccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1Br 586976509 GBTGJXZITHMPCX-UHFFFAOYSA-N 407.311 6.134 0 1 HKAF Clc1cc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2cn1 586998958 UEJCXBPOIFFUJV-UHFFFAOYSA-N 414.690 5.620 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 587014647 OEJOBAOPOLUHDM-UHFFFAOYSA-N 409.820 6.214 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)cncc4[nH]3)c21 587032115 YXSFJJMIDYVGDZ-NSHDSACASA-N 413.344 5.679 0 1 HKAF COc1cc2nc(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2cc1C 587047024 RTWGYUHNHDWINP-SREVYHEPSA-N 400.906 5.747 0 1 HKAF Fc1cc(Br)c2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 587048982 KEPHWGBDSUCUTD-BDAKNGLRSA-N 400.078 6.042 0 1 HKAF FC(F)(F)c1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2cn1 587060968 XPALTOYCIINYAJ-UHFFFAOYSA-N 424.813 6.512 0 1 HKAF FC(F)(F)c1ncc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2n1 587063854 ZQYCSHVAUDMLRM-UHFFFAOYSA-N 404.779 5.271 0 1 HKAF Clc1ccc(-n2cc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)nn2)cc1 587076429 SLXIQSFMDSMNNA-UHFFFAOYSA-N 403.898 5.615 0 1 HKAF COc1ccc(C(=O)c2ccccc2-c2nc3cc(F)c(F)c(F)c3[nH]2)cc1F 587143912 FGVFSQHNJSRSEB-UHFFFAOYSA-N 400.331 5.026 0 1 HKAF COc1cccc(-c2cc(-c3cc(N)cc(C(C)=O)c3)nc3c2oc2ccccc23)c1 587362713 KSMQKVWKNPBUGA-UHFFFAOYSA-N 408.457 6.108 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Oc3cc(F)ccc3F)cc1)CC2=O 587468994 ZMWXSTNIQGMQIF-VWLOTQADSA-N 424.443 6.296 0 1 HKAF O=C1c2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(Cl)cc21 587502481 RNFCGTPPNMTIHL-AREMUKBSSA-N 414.888 5.672 0 1 HKAF O=C1C[C@H](c2ccc(OCc3ccccc3Cl)cc2)Oc2c1ccc1c2CCCC1 587503775 GLYKWSVEEUHQPP-RUZDIDTESA-N 418.920 6.504 0 1 HKAF COc1ccc([C@]2(Cc3cccc(F)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587504705 NCFCMOZTBAFBMJ-MHZLTWQESA-N 416.492 5.817 0 1 HKAF CCCCC[C@H]1CC[C@H](C2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)CC1 587527428 VUBKOJDKNFIZRO-IFZJPUESSA-N 422.653 7.846 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1c2sc2ccccc12 587619301 RLIXFWSGWSRCIX-BWKNWUBXSA-N 414.482 5.800 0 1 HKAF COC(=O)C(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2cc(Cl)c(F)cc12 587628409 OEPBXWXLOGESQH-UHFFFAOYSA-N 400.620 5.290 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(Nc3cccc(C(F)(F)F)c3)c2c1 587641003 HYLRALFZJOABOL-MRXNPFEDSA-N 408.467 8.111 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncc(Cl)cc2Cl)N1 587692078 ATJJBPRBXNVCCA-VPTHRUTESA-N 404.110 5.088 0 1 HKAF COc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587753072 HOEAHQUVUIVDNI-YEJXKQKISA-N 415.306 5.011 0 1 HKAF Cc1cc(C)n(-c2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)n1 587762514 FQLPPSIDNGQDSZ-XUSGNXJCSA-N 414.322 5.014 0 1 HKAF CCC[C@H](CC1(c2nc3c(C)nc(C)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781066 DCOJEGBUPAENBX-OAQYLSRUSA-N 419.569 5.936 0 1 HKAF COc1ccc2[nH]cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1C 587794910 WIJROXPUQRTLEB-SBKAZYGRSA-N 403.295 5.010 0 1 HKAF CCOC(OCC)c1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587795147 QSTLIOHKGJNCLK-RBZFPXEDSA-N 422.338 5.283 0 1 HKAF CCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC 587797571 WDWHWRVREDDIKJ-YEJXKQKISA-N 422.338 5.399 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CSc2ccc(Cl)cc2)N1 587844223 KXDIEHFANMFDBE-VOJFVSQTSA-N 414.771 5.783 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cccs2)(c2cccs2)N1 587855373 VJKBZAOQQHJOPX-BUXKBTBVSA-N 422.388 5.732 0 1 HKAF O=C([C@H]1CCCN(Cc2cccc(Cl)c2)C1)n1nc2cc1Oc1ccc(F)cc1-2 587874399 YWUKVEUENKUJCI-HNNXBMFYSA-N 411.864 5.001 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(CCN3CCCCC3)n2)cc1 587923256 YGQAPDFCAWHVLW-UHFFFAOYSA-N 405.542 6.126 0 1 HKAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587928212 YGBNBAUCQAHJGL-SNVBAGLBSA-N 411.246 5.163 0 1 HKAF COCCCN1CCc2ccc(OC)cc2[C@]1(C)c1c(F)ccc(Cl)c1Cl 961325047 OVJQDCIWDIELSV-OAQYLSRUSA-N 412.332 5.299 0 1 HKAF COc1ccc2c(c1OC)[C@H](c1c(Cl)c(C=O)cc3ccccc13)N(C)[C@H](C)C2 962573441 RVHDMFGJVPPBIX-QKFKETGDSA-N 409.913 5.289 0 1 HKAF Cc1ccc(C)c([C@]2(C3CC3)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c1 962641076 NEQGFQIDSADXGR-UHSQPCAPSA-N 408.589 5.704 0 1 HKAF CCOc1ccc([C@@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)c(F)c1F 962715064 SKSAPOWESGKPOT-RCDICMHDSA-N 407.501 5.130 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C=C(SC)SC)(c2ccccc2C)N1 962944459 HYLNBWUFJZTECC-OSPHWJPCSA-N 408.636 6.212 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccc(C)nc1)c1ccc(OC)c(OC)c1 963230534 PVSDLEGMHPJKEA-HRFSGMKKSA-N 416.565 5.356 0 1 HKAF CC(C)[C@@H](C)CC(=O)[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1772580347 APLFDKJVLZDUIA-IZRAOYCKSA-N 412.658 6.734 0 1 HKAF Cc1nc(-c2ccc(F)cc2)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)s1 1772626656 MPSQUEUSSILINK-UHFFFAOYSA-N 403.482 6.569 0 1 HKAF O=C1c2ccccc2C(=O)N1CCCCCCNc1ccnc2cc(Cl)ccc12 1857634698 FBUIGPCYGSKTHO-UHFFFAOYSA-N 407.901 5.157 0 1 HKAF Cc1nc2ccc(NC(=O)c3ccc(OC(F)F)c(OCC4CC4)c3)cc2s1 1857753737 MJTLJJCWNDNHMW-UHFFFAOYSA-N 404.438 5.247 0 1 HKAF CCO[C@@H](C)n1cc(-c2cnc(N)c(O[C@@H](C)c3cc(F)ccc3Cl)c2)cn1 1911576055 GJJHXRIDXNYJST-STQMWFEESA-N 404.873 5.015 0 1 HKAF CCO[C@@H](C)c1c(C)cc(O)c(CC=C(C)CCC=C(C)CCC=C(C)C)c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c1coc(Cc2ccoc2)c1 2356510877 PTQLMVKRWRINAA-WZONZLPQSA-N 410.510 6.072 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@@H]3CC[C@@]12C)C(C)C 2356751164 WBTPOQYEYUEYSR-HOVBSSBHSA-N 400.691 7.491 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)Cc1cc(O)c(-c2cccnc2O)cc1O 2356791216 GMNLYZMBIUXKNI-KJNDHEABSA-N 407.554 6.207 0 1 HKAF O=C(c1ccco1)N1[C@H](c2nc3c(OCc4ccccc4)cccc3[nH]2)[C@H]2CC[C@@H]1C2 205225142 JPMSZYOERNHOCC-IXFSTUDKSA-N 413.477 5.101 0 3 HKAF CN1[C@H](CCc2cccc3ccccc23)CCC[C@@H]1CCc1cccc2ccccc12 13671772 WTCQCWGLSGOPNV-HNRBIFIRSA-N 407.601 7.411 0 1 HKAF CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCCCF 13672392 PCKXPIQJKLNHMF-UHFFFAOYSA-N 417.546 5.673 0 1 HKAF CCCCc1oc2ccccc2c1Cc1ccc2c(Br)c(O)ccc2c1 13806813 BMJMHOUSOXSXOP-UHFFFAOYSA-N 409.323 6.988 0 1 HKAF COc1cccc(CN(CCCC2CCCCC2)c2cc(-c3ccccc3)no2)c1 26956204 CKGMNSNPHZXZDW-UHFFFAOYSA-N 404.554 6.717 0 1 HKAF CCN(CC)CCC[C@@H](C)Nc1nc(CCCc2ccccc2)nc2ccccc12 28477522 SXEHJDDWYPCNHZ-OAQYLSRUSA-N 404.602 5.728 0 1 HKAF Cc1cc(CCC(=O)O)ccc1-c1csc(-c2cnc(OC(C)C)c(Cl)c2)n1 40566196 LXZMVJDAWDZINL-UHFFFAOYSA-N 416.930 5.638 0 1 HKAF FC(F)(F)c1ccccc1Nc1nc(C(Cl)(Cl)Cl)nc2ccccc12 43011654 RCBMDXRWESZCFR-UHFFFAOYSA-N 406.622 6.219 0 1 HKAF CC(C)c1sc(N2CCCCC2)nc1C(=O)Nc1ccc(F)cc1C(F)(F)F 45166967 WCMYAMNSROAPQI-UHFFFAOYSA-N 415.456 5.667 0 1 HKAF Cc1cc(CN2CCC[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C2)ccc1O 45323317 KPBQSDCHWWQQAH-DEOSSOPVSA-N 423.503 5.749 0 1 HKAF CCCCCc1nc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccccc2)oc1C 82162542 DVBIUJWWEKUDLU-XMSQKQJNSA-N 418.585 6.830 0 1 HKAF Cc1cccc(-c2nc(NC3CCCCC3)ncc2C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 82216759 UQJOBCMBBDYSFT-RTBURBONSA-N 406.574 5.315 0 1 HKAF CCCCOC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1C 84596931 IQOOKGNLIGNDSW-UHFFFAOYSA-N 410.474 5.048 0 1 HKAF CCCn1c(-c2ccc(O)cc2)cc(-c2ccc(O)cc2F)c1-c1ccc(O)cc1 95575221 BNZOGUSBIKJSRJ-UHFFFAOYSA-N 403.453 6.155 0 1 HKAF Cc1ccccc1-c1cccc([C@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 96269872 SWOJTKFMLGCXAD-HOYKHHGWSA-N 402.446 5.125 0 1 HKAF O=C(Nc1ccc(Br)cc1)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 101075225 NLBYUTBQNBLSRJ-SAABIXHNSA-N 407.283 5.100 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3/C[C@@H](O)CC[C@@H]3CO)CCC[C@@]21C 102194947 AJXHPHZACZICEG-MQKNCZAVSA-N 402.663 6.671 0 1 HKAF Cc1cnc(-c2cccc(-c3cc(-c4ccccc4)c(C)cn3)n2)cc1-c1ccccc1 136372107 SHADASKBFUIUMN-UHFFFAOYSA-N 413.524 7.156 0 1 HKAF O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4cc(F)cc(F)c4)c(F)c3F)nc12 144713074 GLJBNHZSNNSOGW-UHFFFAOYSA-N 422.284 5.430 0 1 HKAF CC(C)CCNCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 145522791 XZDRMWHWPNQRHE-JOCHJYFZSA-N 408.567 6.137 0 1 HKAF CC[C@](C)(O)c1oc(=O)c2ccccc2c1-c1ccc(OC)c(OC2CCCC2)c1 168240231 SVNNQGRMRMDZKK-VWLOTQADSA-N 408.494 5.408 0 1 HKAF c1ccc([C@H]2c3ccccc3C3=Nc4ccccc4S[C@@H](c4ccccc4)[C@@H]32)cc1 169291437 CJFITVUYKIGKBQ-REUBFRLUSA-N 403.550 7.416 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 238750643 LIIFBMGUDSHTOU-SOBANMILSA-N 424.713 8.377 0 1 HKAF CC(C)[C@]1(C)C[C@@H]1C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 238753914 GYEFHOQTNWOKKR-CRFRGAIMSA-N 412.702 7.635 0 1 HKAF COc1cc(O)cc(-c2cc3ccc(O)cc3o2)c1C[C@H]1C(C)(C)[C@H]2CC[C@]1(C)O2 238784552 YIIMEHMGTCKWAM-ARNLJNQMSA-N 408.494 5.656 0 1 HKAF CC(C)=CCC[C@]1(C)C=Cc2c([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)ccc(O)c2O1 238787972 UWMYFCSRNMSQCQ-SQJMNOBHSA-N 422.477 5.421 0 1 HKAF CC(=O)Cc1ccc(-c2n[nH]c3c2Cc2cc(CN[C@H]4CC[C@H](C)CC4)ccc2-3)cc1 253855559 VIVFMJXQMAQQKP-QBNMFFNISA-N 413.565 5.448 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)C(C4(C)OCCO4)=CC[C@H]32)C1 254079149 RKDVZUVKDIUZHM-WXSGIJPSSA-N 402.575 5.260 0 1 HKAF C[C@@H]1CCCc2c1nc1[nH]c(=S)n(-c3ccccc3)c(=N)c1c2-c1cccn1C 299856808 CEHUAJQFAYGQHO-CQSZACIVSA-N 401.539 5.008 0 1 HKAF CC(C)Oc1cc2nc([C@@H](C)SCc3ccccc3)[nH]c2cc1Br 586964454 ZYLABTLVELIHLI-CYBMUJFWSA-N 405.361 6.107 0 1 HKAF Cc1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cc1Br 587017485 LXBKCJVAHPTVOH-UHFFFAOYSA-N 405.708 5.473 0 1 HKAF Clc1cc(Cl)cc(-c2cncc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c2)c1 587067451 AQRWBYGZWHCZSM-UHFFFAOYSA-N 410.091 6.301 0 1 HKAF O=C1c2ccccc2-c2cc(-c3c(F)cccc3Br)nc3cccc1c23 587103201 HMWOFEZRKRGXMX-UHFFFAOYSA-N 404.238 6.015 0 1 HKAF Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cnn1-c1ccc(F)cc1 587104768 VUDDKCAHXFIWMN-UHFFFAOYSA-N 405.432 5.746 0 1 HKAF Cc1c(Br)cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1C 587153281 XTEGUPGKUNYYFM-NRFANRHFSA-N 424.317 6.283 0 1 HKAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc(Br)c(F)c2[nH]1)C1CCCC1 587226593 RRURTGIRRZAVQI-AWEZNQCLSA-N 412.303 5.221 0 1 HKAF C[C@@H]1Cc2cc(Cl)ccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587331439 POXIEUSILHKVHB-LKEWYZSESA-N 408.856 5.631 0 1 HKAF Cc1ccccc1[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350692 FBYMAGISUVHHKT-AZGAKELHSA-N 404.481 6.140 0 1 HKAF COc1cccc(-c2c(C)c(-c3ccc(C(C)C)cc3)nc3c2oc2ccccc23)c1 587364478 BCOPHGWHDFVTLI-UHFFFAOYSA-N 407.513 7.755 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1cc4c(cc1C)C(C)(C)[C@H](C)C4(C)C)[C@@H](C2)C3=O 587443457 AFMRCXDPXWXMSL-PYUVCXHJSA-N 404.550 5.871 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1OCc1ccc(F)cc1)CC2=O 587470248 FZZFNJBFRCHWAH-AREMUKBSSA-N 420.480 5.943 0 1 HKAF CCOc1ccc(-c2n[nH]cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587505388 MOTTWQHMPQANFF-QFIPXVFZSA-N 406.457 5.200 0 1 HKAF CN1c2ccccc2CCc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587518338 GFLVVUSISMXEIY-HHHXNRCGSA-N 409.529 6.138 0 1 HKAF C[C@]1(c2cc(C(F)(F)F)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547967 MLPPRBIPETXFCX-GHTZIAJQSA-N 418.342 5.427 0 1 HKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C(F)(F)F)c1 587551232 YVGHGLMDIYYZCO-GHTZIAJQSA-N 400.352 5.422 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(Cl)cc(Cl)c12 587551887 KVPGXGMUFWJCFY-DENIHFKCSA-N 413.256 5.502 0 1 HKAF CCC[C@H](OC)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587597634 VFNLGXAKUFUAAA-VAPDBKPJSA-N 418.489 5.757 0 1 HKAF CC(C)c1ccc2c(c1)[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604078 QRXJHOABHDCIHN-BVAGGSTKSA-N 400.474 5.709 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCOc1c2ccc2ccccc12 587609084 MEDAGHNYNYSNJV-WNCULLNHSA-N 424.452 5.575 0 1 HKAF Cc1ccsc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612914 LMQRCSZWBDIUIV-BWKNWUBXSA-N 414.482 5.668 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccccc3F)c2)N1 587725227 CKDRTHOJESTGMQ-XMHCIUCPSA-N 414.293 6.018 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ncccc3F)o2)N1 587726070 HPFWTYDCJSDRPU-DGIBIBHMSA-N 405.242 5.006 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3F)o2)N1 587727595 OKGLLVWVXSHRHF-GIPWTMENSA-N 404.254 5.611 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2n(C)c2ccccc32)N1 587753727 BQEACKSUOBQGRH-DMZKTXOQSA-N 413.334 5.194 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587815968 RVODBUQJPIIPJU-MZNJEOGPSA-N 424.357 6.031 0 1 HKAF CC(C)c1ccc2c(c1)[C@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587816839 DWLZDTUITORQBG-FPTDNZKUSA-N 402.351 5.826 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(F)cc1 587854276 DQVOWGZFFDWXAD-UHFFFAOYSA-N 409.244 5.114 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCSc3ccc(Cl)cc32)N1 587855501 GKPZDIMPHRCZOB-XTZNXHDOSA-N 412.755 5.515 0 1 HKAF O=C(c1ccccc1OCc1ccc(Cl)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587874026 OCEYLPSEABBFRE-UHFFFAOYSA-N 420.827 5.716 0 1 HKAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(Br)c(O)c3[nH]2)cc1 587932572 GMCLXZXUKSWRFC-SFHVURJKSA-N 409.283 5.220 0 1 HKAF c1ccc(COc2cccc3nc(Cc4ccccc4Oc4ccccc4)[nH]c23)cc1 587949264 DGEXSPPWFWZOQY-UHFFFAOYSA-N 406.485 6.525 0 1 HKAF CC(C)Cc1ccc([C@@H](C)C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)cc1 653760844 GXAMYQJUFWPLNG-QGZVFWFLSA-N 400.950 5.177 0 1 HKAF Cc1nc(C)c(CNc2nc(CCCCc3ccccn3)nc(Cl)c2C)s1 653805876 WQJYXOMJIHDJNC-UHFFFAOYSA-N 401.967 5.084 0 1 HKAF Cc1ccc([C@]2(c3ccc(CN4CCC4)cc3)NCCc3c2sc(C)c3C)cc1 963018050 DMETZDHXLMDLFN-AREMUKBSSA-N 402.607 5.317 0 1 HKAF Cc1ccc([C@]2(CCc3ccc(F)cc3)c3ccc(F)cc3C[C@H]3CCCN32)c(C)c1 963092684 AFELSJNPZFSVGG-LEAFIULHSA-N 417.543 6.479 0 1 HKAF Fc1cccc2c1[C@@](c1ccccc1CN1CC=CC1)(C1CCCC1)N1CCC[C@@H]1C2 963110504 VMLBRJGJDDTITJ-YWEHKCAJSA-N 416.584 5.652 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1cc(-c2ccc(Cl)c(Cl)c2)no1 963239062 IZVMYLVOANVASA-NPMXOYFQSA-N 415.364 6.569 0 1 HKAF N[C@H]1Cc2c(ccc3cc(Br)ccc23)O[C@@H]1c1cc(F)c(F)cc1F 1772613402 RMHQXDTZYSOTEG-PKOBYXMFSA-N 408.217 5.023 0 1 HKAF O=C(Nc1ccc(-c2nnc(O)c3ccccc23)cc1)c1ccc(N2CCCCC2)cc1 1772632406 AWBKTMLYSSBTLA-UHFFFAOYSA-N 424.504 5.245 0 1 HKAF C/C(=C\CC[P@@](=O)(OCOC(=O)C(C)(C)C)Oc1cccc2ccccc12)CO 1857599911 DAIOUUKNATVVHM-GUIYRGGQSA-N 420.442 5.304 0 1 HKAF CCCC(=CCl)CCCC(=O)N[C@H](C)C[C@H](C)C(=O)[C@@H](C)CCC=CCl 2356674620 OEEXJHFQVSGEBK-OKZBNKHCSA-N 404.422 6.348 0 1 HKAF C=CC(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)=C(C)C 2356801115 RIXVWIRLMZEPNM-SPTWOZHASA-N 412.702 7.945 0 1 HKAF CC(=O)Nc1cc(-c2ccc(N(C)C)cc2)cn2c(-c3ccc(F)c(Cl)c3)cnc12 61897361 DTWPEYZXPFUCEW-UHFFFAOYSA-N 422.891 5.485 0 3 HKAF CC1(C)CCc2cc3c(cc2O1)OC(C)(C)[C@@H]1c2c(ccc4c2CCC(C)(C)O4)O[C@@H]31 1617590 RBXIIYKLGLKWAW-RPWUZVMVSA-N 420.549 6.282 0 1 HKAF C[C@H](CCC(=N)N)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 6491631 WBHVVSCLCCZPGX-ZSYRLAJZSA-N 414.678 6.449 0 1 HKAF CCN(CC)C(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1 13642428 WWDOVXBGLHLBKB-UHFFFAOYSA-N 422.743 5.982 0 1 HKAF CC1(C)CCC(C)(C)c2c(F)cc([C@H](O)c3ccc4cc(C(=O)O)ccc4c3)cc21 26716949 SEEUJUNLPYMQES-HSZRJFAPSA-N 406.497 6.108 0 1 HKAF NCCCCCN(C/C(Cl)=C\c1ccccc1)C(=O)/C=C/c1c[nH]c2ccccc12 28825923 MQQRWOBGOLHEJR-LWEGYUNWSA-N 421.972 5.419 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/[C@@H](c1nccn1C)[C@H](CC(=O)O)C(=O)O 45338721 JRUPZAMPCOXFPV-CZXNWCPUSA-N 402.535 5.098 0 1 HKAF Cc1ccc([C@@H]2ON=C(c3ccc(C4=NO[C@H](c5ccc(C)cc5)O4)cc3)O2)cc1 49020444 QLVPZJJUAQFCIZ-PSWAGMNNSA-N 400.434 5.118 0 1 HKAF C[C@H](F)CCCC12CCC(c3nnc(-c4ccccc4C(F)(F)F)n3C)(CC1)CC2 71316421 ZTWDQFBBGCYGMR-XDGVHFHYSA-N 423.498 6.621 0 1 HKAF O=C(c1cc2ccccc2o1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(Cl)cc1 71319057 ZZRCSOOIUWHUES-NRFANRHFSA-N 418.855 6.217 0 1 HKAF O=C(N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCCNC1)c1ccc2cnccc2c1 72178720 IZVADJXWZKIYOV-WIYYLYMNSA-N 414.336 5.012 0 1 HKAF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccccc1F 82150588 HCFFEOUYURKPGV-VGOFRKELSA-N 424.564 5.583 0 1 HKAF C=C/C(=C\C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 95098998 UEWMGQVBSUKDSE-XWUHYQCMSA-N 410.686 7.721 0 1 HKAF biogenic,in-vitro COc1ccc(Nc2nnc3cc(-c4c(Cl)cccc4Cl)cc(C)c3n2)cc1 96167707 IGVIZKFUQQWEII-UHFFFAOYSA-N 411.292 6.059 0 1 HKAF COc1cccc(/C=C/C[C@H]2C[C@@H]([C@@H](O)c3ccccc3)CO[C@@H]2c2ccccc2)c1 96921347 KPDOCQMUXBGUCL-NUNTVEQRSA-N 414.545 6.226 0 1 HKAF CC1(C)CC2=Nc3ccccc3N(C(=O)c3ccccc3)[C@@H](c3ccco3)C2=C(O)C1 104695845 ZITUIXAPJZRCES-DEOSSOPVSA-N 412.489 6.386 0 1 HKAF CCC[C@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1cc2ccccc2o1)CCCC3 113123270 AOGVXPGEXFNHFO-KRWDZBQOSA-N 419.546 6.865 0 1 HKAF Cc1ccc(S(=O)(=O)c2cnc3cc(F)ccc3c2-c2ccc(F)cc2)cc1F 115925684 WCLMZQWSCBEETE-UHFFFAOYSA-N 413.420 5.460 0 1 HKAF CC(C)C[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118937327 FHSVMYDBGPVTTJ-UHHLPRGWSA-N 420.678 5.410 0 1 HKAF endogenous,in-man CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1 168243503 HXOMIQXOOFREEL-UHFFFAOYSA-N 414.465 5.127 0 1 HKAF Clc1ccc([C@H](OC2C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2)c2ccccc2)cc1 169295281 BRCNZPLXMLLSIC-OHSXHVKISA-N 417.980 6.642 0 1 HKAF O=C(Nc1cccc(Br)c1)c1ccccc1NC(=O)C1CCCCC1 199853587 LDWIBUXEMKKIJJ-UHFFFAOYSA-N 401.304 5.220 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](C)C[C@@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253685187 DHZJVHCWDITFSE-BIUZYUKGSA-N 401.679 6.832 0 1 HKAF C[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc(F)c(Br)c1 253993320 ZESNJJBGEWLRGV-DETPAEQWSA-N 414.318 5.500 0 1 HKAF Cc1cccc(Cn2cc3c(=O)n(Cc4ccc(C)cc4C)nc-3c3ccccc32)c1 299819328 BZFJIYRLYSUGLE-UHFFFAOYSA-N 407.517 5.325 0 1 HKAF CCc1ccc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1Br 586978257 YNOKLYFNDXHEJJ-UHFFFAOYSA-N 401.251 6.167 0 1 HKAF Brc1ccc([C@@H](c2nc3ccc4ncccc4c3[nH]2)N2CCCC2)cc1 586984351 JQJQXPFLVPBBSQ-FQEVSTJZSA-N 407.315 5.059 0 1 HKAF COc1cc2[nH]c(-c3ccc(CSc4nc(C)cs4)cc3)nc2cc1Cl 587020299 MLSOQTSAKVZUTH-UHFFFAOYSA-N 401.944 5.949 0 1 HKAF CCOC(=O)Cc1ccc2nc(-c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2c1 587046168 LOMRMXZHGDAJPZ-UHFFFAOYSA-N 416.905 5.032 0 1 HKAF Cc1cc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc2cc1Br 587066180 HJEGLYBKAYMDRL-UHFFFAOYSA-N 400.707 6.053 0 1 HKAF COC(=O)c1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587071540 OHYKCCGBDJLAAX-KPKJPENVSA-N 418.880 5.752 0 1 HKAF Oc1ccccc1-c1cc(-c2nc3cnc(Cl)[nH]c-3n2)c2cccc(Cl)c2n1 587081280 MFIFDPMRBLSXCF-UHFFFAOYSA-N 408.248 5.199 0 1 HKAF Cc1ccc2c3c(cc(CCc4ccc(OCC(=O)O)cc4)nc13)-c1ccccc1C2=O 587098441 XZUAKWMHBQHNNN-UHFFFAOYSA-N 423.468 5.003 0 1 HKAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)cc2N1 587125904 HJKKBCDIXSCTCP-KRTXAFLBSA-N 421.370 5.346 0 1 HKAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c(F)c2)c1 587138573 NDNUTXIRZLSEPN-UHFFFAOYSA-N 422.284 5.430 0 1 HKAF Fc1ccc(/C=C\c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(F)c1 587147791 BKNPKLCMFBGVMW-RQOWECAXSA-N 419.147 5.673 0 1 HKAF CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)c3nc4cccc5c4c(c3C[C@H]12)CC5 587213342 HJLWPTVRXXOAJF-DRWZAVBLSA-N 423.556 5.829 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C1CCCC1 587223424 AVNJNCVSBVINGS-CQSZACIVSA-N 401.404 5.477 0 1 HKAF CCCCC[C@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330341 BJNVZECXNVYZKL-AOYPEHQESA-N 419.496 5.948 0 1 HKAF C[C@@]1(c2c[nH]cc2-c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344369 GOCJPBZVGHTUCC-RSXGOPAZSA-N 413.448 5.801 0 1 HKAF CC[C@@]1(c2cc(C)ccc2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348275 GVJCVUKNCIFUAQ-ZCYQVOJMSA-N 406.453 5.513 0 1 HKAF CCCCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587352834 YFXIEXDXTPEREX-AHWVRZQESA-N 420.480 5.985 0 1 HKAF Cc1cc2c(cc1C)[C@@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354223 ALSUUHBVCWEQPO-AOYPEHQESA-N 418.464 5.575 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(Br)cc1C)[C@@H](C2)C3=O 587416650 DUEBAOWORGXYBH-KSFYIVLOSA-N 424.294 5.046 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3cccc(C(F)(F)F)c3)c1)CC2=O 587464499 RPIRJGHILKBTPN-FQEVSTJZSA-N 416.399 5.256 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1ccc(Cl)c(Cl)c1 587544785 NYNUFHQGHTZIOV-ICSRJNTNSA-N 415.272 5.662 0 1 HKAF CCOc1ccc2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599636 YHQHEEYXPNQXCN-OZXSUGGESA-N 412.441 5.647 0 1 HKAF CC(C)c1ccc(C[C@H](C)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601431 FYCKOTBHZBOLAW-UIIQVKDUSA-N 402.490 5.725 0 1 HKAF CC[C@H](C)c1ccc([C@@]2(CC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587602355 JKOZQFQYHIHKMP-YSBYIQCSSA-N 402.490 6.173 0 1 HKAF Cc1oc(-c2cccs2)nc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611739 JMSXEKRNSFPMLU-LAUBAEHRSA-N 405.431 5.120 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H]2c2ccccc2Cl)N1 587692632 BONSKQAZKHVMFT-URFZZILJSA-N 408.742 5.939 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)[nH]c3ccccc23)N1 587704566 JJOZIMJFHKCEJB-OVWNDWIMSA-N 407.714 5.521 0 1 HKAF Cc1ccc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc2c1 587704591 JRWMHZCIRFEQIA-WLRWDXFRSA-N 419.725 5.722 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(F)c(Cl)c2)N1 587721443 VTJMXWFYMCKFML-GYKQLYQFSA-N 407.085 5.658 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)c(F)cc2Cl)N1 587722291 XXQFUTOMDXJFNS-CQLKUDPESA-N 404.657 5.318 0 1 HKAF CC1=C(/C=C/[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)CCC1 587816094 UBLPQJQPTHDFLX-STDPCLAYSA-N 406.383 6.420 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCC(c3ccccc3)CC2)N1 587823881 SCWKSEAZRWJGOC-VDWHSDPQSA-N 402.351 6.138 0 1 HKAF Cc1ccccc1C1([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCOCC1 587833913 IMKCFNBKUJEYKN-VFNWGFHPSA-N 418.350 5.220 0 1 HKAF Cc1sc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587848136 ZXDYXICTRDHTNA-KWKYVRJSSA-N 419.157 5.344 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ccc(O)cc3)n2)N1 587850905 GEXVVZMAAVOKCE-YPMLDQLKSA-N 419.319 5.041 0 1 HKAF CC(C)(C)c1ccc(OCc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 587923912 RDNUTMRNEPLZEQ-UHFFFAOYSA-N 416.568 5.058 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c2)cc1 587936675 YEKZHNSTHOWMLJ-UHFFFAOYSA-N 406.485 6.485 0 1 HKAF CC(C)CCCCCCCCCCCCCCCCCc1nc2ccnc(N)c2[nH]1 587957841 XANLWYJDQVRVIW-UHFFFAOYSA-N 414.682 7.980 0 1 HKAF Cc1cccc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1OC(F)F 962645190 SGSIQMRHLZVKAP-URXFXBBRSA-N 420.503 5.433 0 1 HKAF FC(F)(F)c1cccc2c1[C@]1(CC=C(c3ccccc3)CC1)NCC21CCOCC1 962957143 NSDJRVUEQJYMDY-XMMPIXPASA-N 413.483 5.820 0 1 HKAF Cc1cccc(CC[C@]2(C)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c1 963184315 RAJXRLANELDKDQ-ICSRJNTNSA-N 411.851 5.114 0 1 HKAF CC(C)c1ccc2c(c1)CC[C@H]1[C@](Cc3ccc(C(=O)O)cc3)(C(N)=O)CCC[C@]21C 1772607337 CNNAOPIFACMYHJ-MVNQZMKCSA-N 419.565 5.227 0 1 HKAF COc1cc2c(c3c1C(=O)C[C@@H](c1ccccc1)O3)C=C[C@](C)(CCC=C(C)C)O2 1857606196 QDMIUSBLODILIC-LVXARBLLSA-N 404.506 6.312 0 1 HKAF CC(C)c1ccc(C(=O)O[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 1857617890 JMQRLABRTMSHPZ-FQEVSTJZSA-N 403.309 5.912 0 1 HKAF Cc1cc(OCc2ccc(C(F)(F)F)cc2)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21 1857757298 JOVNFTJXPLFYOJ-LTBCBRHQSA-N 404.428 5.698 0 1 HKAF COc1ccc(OC)c2c1C[C@@H]1c3cc([C@H](C)c4ccccc4)sc3CCN1C2 1857757452 DCNMWUAKTCVIOB-IIBYNOLFSA-N 405.563 5.573 0 1 HKAF C[C@@H](C=C[C@@H](C)[C@@H](C)CO)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356421362 HCQKGAYOZHKURE-NDCGRWFESA-N 412.658 6.591 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@@]4(C)C(=CC[C@]21C)O3 2356425303 CINZVIXZRUAXFE-QJHCCUKTSA-N 412.658 7.262 0 1 HKAF CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@]35CC[C@]12C 2356487196 RXSFCOUBKQSZFV-PPRGJWHCSA-N 400.695 5.964 0 1 HKAF COC(=O)C1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)[C@H](C(=O)c5ccccc5)CC[C@H]34)[C@@]2(C)CC1 2356574454 AGWLVIYLIXLESA-UAGBHOFDSA-N 418.577 6.158 0 1 HKAF CC(C=CC=C(C)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1)=CC=CC=C(C)C=CCO 2356599137 OOJOUQLXWXASLN-DPZBCOQUSA-N 410.598 5.751 0 1 HKAF O[C@H](CCN1CCN(c2cccc3ccccc23)CC1)c1csc2ccc(F)cc12 13491145 UBSRWNBGOMICGX-XMMPIXPASA-N 420.553 5.439 0 1 HKAF COc1ccc(C(=O)Nc2cc(O)ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 13557927 DFZANUAARHASER-UHFFFAOYSA-N 418.493 5.203 0 1 HKAF COC(=O)[C@@H](OC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C)c1ccccc1 13738023 OTPSBOILXJCYBE-IBGZPJMESA-N 413.470 5.073 0 1 HKAF CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H](Cc1ccccc1)c1ccccc1 13863318 HYZNDDWYTHIDIO-MHZLTWQESA-N 422.528 6.927 0 1 HKAF Cc1cc2c(cc1O)CC[C@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2 14767684 PZZKGQBMBVYPGR-XXAUWVGASA-N 402.663 8.223 0 1 HKAF endogenous,in-man CC(C)=CCc1cc2c(c(CC=C(C)C)c1O)O[C@@H](c1ccc(O)cc1O)CC2=O 14780759 KKTGOPZGAOCPHN-HSZRJFAPSA-N 408.494 5.527 0 1 HKAF biogenic,in-vitro CC1(C)C=Cc2c(cc3c(c2O)[C@H]2Oc4c(ccc5c4CCC(C)(C)O5)[C@@H]2CO3)O1 15251914 FOPGCVXFFKCRHR-HJPURHCSSA-N 406.478 5.290 0 1 HKAF biogenic CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1ccc(SC)cc1)c1ccccc1 26570708 KGRCLVYDBYNANO-CYYJNZCTSA-N 417.618 6.718 0 1 HKAF O=C(O)CC[C@H](Cc1cccc(OCc2ccc3ccccc3n2)c1)c1ccccc1 26675574 UZXVBSXBLGXEIU-HSZRJFAPSA-N 411.501 6.005 0 1 HKAF Nc1nc(-c2ccc(Br)o2)c2c(n1)-c1cc(-c3ccccc3)ccc1C2 28130697 BNHPOUSYOBITSH-UHFFFAOYSA-N 404.267 5.320 0 1 HKAF CN(C)CCOc1ccc(C2=C(c3ccc(Cl)cc3)CCOc3ccccc32)cc1 28393449 FSFXGXUDXHTMIP-UHFFFAOYSA-N 419.952 6.022 0 1 HKAF O=C(NCCCNCc1cc(Cl)cc(Cl)c1)Nc1ccc(C(F)(F)F)cc1 28395066 ARZOAKFEOIDFQT-UHFFFAOYSA-N 420.262 5.314 0 1 HKAF COc1ccc(OC)c(-c2cc(-c3c[nH]c4ccccc34)nc(N3CCCCC3)n2)c1 28471321 LROUJCFLMFBOBM-UHFFFAOYSA-N 414.509 5.299 0 1 HKAF CC1=C(CC/C(C)=C/CC/C(=C/C[C@H]2OC(=O)C[C@@H]2CO)CO)C(C)(C)CCC1 34440878 XYSUNNIWINLBIX-WNKILDKRSA-N 404.591 5.253 0 1 HKAF COC(=O)[C@H](Oc1ccc(C(C)(C)C)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 39242679 LGZZVALEYOJJDH-HSZRJFAPSA-N 424.924 6.723 0 1 HKAF CCN(CC)C(=O)c1cc(-c2ccc(F)cc2F)ccc1OC(=O)c1ccccc1 40864571 YWLKCYGNMNOFIU-UHFFFAOYSA-N 409.432 5.333 0 1 HKAF COc1ccc(/C=C/c2nccc3c4ccccc4n(CCCc4ccccc4)c23)cc1 40895942 OIMUADDHJPNKBR-OBGWFSINSA-N 418.540 7.001 0 1 HKAF Cn1cc(CCNc2ccnc(NCCc3coc4ccccc34)n2)c2ccccc21 45202764 ZUNGFBGDLSZPLA-UHFFFAOYSA-N 411.509 5.024 0 1 HKAF Cc1ccc(C(=O)C[C@H](Nc2ccc(C(F)(F)F)cc2)c2cccc(F)c2)cc1 49863703 GTKTZABDUWZNTK-NRFANRHFSA-N 401.403 6.579 0 1 HKAF O=C(CC1(c2ccc(F)cc2)CCCCC1)NC1CCN(Cc2ccccc2)CC1 72114225 RJLNFGZDBHCRBT-UHFFFAOYSA-N 408.561 5.199 0 1 HKAF COCCC[C@H](c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCC[C@@H]1C 73220106 KBAMVQCVXIVXJD-NEKDWFFYSA-N 420.641 6.292 0 1 HKAF CCCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccc(F)cc2)n1 82141331 BHAIMNHTNHAKPW-UHFFFAOYSA-N 400.542 5.249 0 1 HKAF Cc1cccc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2C(=O)N(C)C2CCCCC2)c1 82145942 ACOIEZYRUXDHMG-BGYRXZFFSA-N 420.601 5.339 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)O 96095557 RDROALZQSJZKED-JLNKQSITSA-N 414.674 9.114 0 1 HKAF in-vitro COc1ccc2c([C@H](Nc3ccc(Cl)cc3)c3ccccc3Cl)c(C)[nH]c2c1 103244862 KHELNPXGIRCYJN-HSZRJFAPSA-N 411.332 6.993 0 1 HKAF CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@H](CC=C(C)C)C(=O)[C@H]1C(=O)C(C)C 104368840 AXAAMKAGJNUYDB-QRXMYIDTSA-N 400.647 7.498 0 1 HKAF in-man O=C(O)c1ccc(NC(=O)c2cc(Cl)c(OC3CCC3)c(OC3CCC3)c2)cc1 116229543 KNBNQKZMTPYPAS-UHFFFAOYSA-N 415.873 5.153 0 1 HKAF Cc1cc(-c2nc3cccnn3c2-c2ccnc(NC(=O)c3ccccc3)c2)ccc1F 147214273 SHARQAUXHRDLBF-UHFFFAOYSA-N 423.451 5.158 0 1 HKAF Clc1ccc2c(c1)N=C(N1CCC(c3ccccc3)CC1)CC(c1ccccc1)=N2 169324545 NTBLJXNLLUMKSN-UHFFFAOYSA-N 413.952 6.774 0 1 HKAF C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@@]43C)[C@H]1CC[C@@H]2O 169361460 GIQHGRUKLUVHHK-VIXUMNHLSA-N 415.581 5.201 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1C(=O)CC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CC[C@H](C)C(C)C 205010565 NNSREHRCNOEXOH-XEVNROCBSA-N 412.658 7.353 0 1 HKAF Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)c1ccc(Cc2cccc(F)c2)cc1 205328970 OTVNTVPPKKNUEI-UHFFFAOYSA-N 420.915 5.832 0 1 HKAF CCC(CC)CC1(O)CCN(C(=O)Nc2cc(C)cc(Oc3ccccc3)c2)CC1 299859536 FVTJRFZPRKUCDQ-UHFFFAOYSA-N 410.558 5.972 0 1 HKAF COC(=O)c1c(/C=C/c2ccc(C(F)(F)F)cc2)cc(OC)c(CC=C(C)C)c1O 473090065 UPYJDHOYTVQONH-RMKNXTFCSA-N 420.427 5.885 0 1 HKAF CSc1sc(-c2nc3ccc(C)c(C)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586919981 JXYKEFSVFFVXBN-UHFFFAOYSA-N 415.005 5.466 0 1 HKAF Cc1ccc2c3c(cc(-c4nnn(-c5ccc(F)cc5)c4C)nc13)-c1ccccc1C2=O 586995578 MTFYBKWMRXLGEE-UHFFFAOYSA-N 420.447 5.450 0 1 HKAF O=C(O)c1cccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 586998316 IYQHHQSORAVLLR-LUAWRHEFSA-N 409.239 5.454 0 1 HKAF O=C(O)c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 586998742 PPMOPSADMANKMM-YFHOEESVSA-N 409.239 5.454 0 1 HKAF Nc1ccc(-c2ccc3nc(-c4csc(-c5ncccc5Cl)n4)[nH]c3c2)cc1N 587017074 GKDNIRLOYSSAPZ-UHFFFAOYSA-N 418.913 5.233 0 1 HKAF COc1cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2cc1Cl 587018408 ZJXQJYOYZIRMSG-UHFFFAOYSA-N 407.886 5.640 0 1 HKAF CC(C)(C)c1cccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 587026103 KEIIWNITCDIXEG-UIFIKXQLSA-N 421.610 5.997 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(Cl)c(OCC(C)C)c(OC)c3)nc2c1 587044458 BSOXCRDUKINDAL-UHFFFAOYSA-N 423.296 5.367 0 1 HKAF Fc1cnc(Br)c2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc12 587051338 SAMVPROMZWPIKC-RNFRBKRXSA-N 401.066 5.437 0 1 HKAF COC(=O)c1cc2nc(-c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1OC 587071899 UQVUCUBDRYRJJO-UHFFFAOYSA-N 422.868 5.258 0 1 HKAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C(C)(C)C)cc2[nH]1 587113028 NOALLNDZDVGRPD-OAQYLSRUSA-N 403.448 5.279 0 1 HKAF C[C@H](c1nc2cc(Cl)cc(Cl)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587130532 UCTWTMBSINICOO-SCSAIBSYSA-N 415.605 6.204 0 1 HKAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c(F)c2)c1 587138246 DTOBTWLZXSIVPR-UHFFFAOYSA-N 420.202 5.575 0 1 HKAF O=S(=O)(Nc1ccccc1-c1nc2ccc3c(c2[nH]1)CCCC3)c1ccc(F)cc1 587170681 UIDZHUOCJDRLKE-UHFFFAOYSA-N 421.497 5.049 0 1 HKAF Cc1cncc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 587200052 UKJPJPVOMFYNPJ-INIZCTEOSA-N 412.493 5.208 0 1 HKAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc(SC(F)(F)F)cc2[nH]1)C1CCCC1 587225519 LIHADEUPDKYGSA-HNNXBMFYSA-N 415.481 5.931 0 1 HKAF Cc1cc(Cl)cc2c1OCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329400 LSGDHWZNRBMANC-QPPBQGQZSA-N 424.855 5.530 0 1 HKAF C[C@]1(CCc2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329672 FFPKNVTYRYWVTD-ISKFKSNPSA-N 412.407 5.560 0 1 HKAF COc1ccccc1[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355570 YLPCPHFAZAZZHF-ZEQKJWHPSA-N 420.480 5.840 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3ccc(C(F)(F)F)cc3)c1O)O2 587381696 JSUOTTGYSINFRI-FQEVSTJZSA-N 413.395 5.675 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(C)c(C)c4)nc4ccccn14)[C@@H](C2)C3=O 587435846 LHCFWMHCAGCWPI-AFMDSPMNSA-N 410.473 5.115 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3ccccc3c1Br)CC2=O 587458085 GFFWBJXAZLREIS-FQEVSTJZSA-N 411.295 5.967 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1coc3c(Cl)cc(Cl)cc3c1=O)CC2=O 587460335 HGZQTBWKDPKNKV-SFHVURJKSA-N 419.260 5.464 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1ccc(C(=O)O)c(F)c1)CC2=O 587465773 HJNFJPHHRWCWJW-QHCPKHFHSA-N 420.436 5.556 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(N3CCC(C)CC3)ccc1N)CC2=O 587473752 BXENODQZIPGHIQ-RUZDIDTESA-N 408.542 5.044 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(C)(C)C)cc(C(C)(C)C)c1OC)CC2=O 587475525 ALKQGROXIKWMMY-HSZRJFAPSA-N 424.581 6.655 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1cccc(OC)c1)CC2=O 587480156 NOGBLZOMSPFOCP-AREMUKBSSA-N 402.490 5.571 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCc3cccc(C)c3)c1)CC2=O 587480840 PMYLPAVVGNANNB-VWLOTQADSA-N 402.490 5.939 0 1 HKAF CC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc2O1 587500812 YEMKIPOBCRKMRK-QFIPXVFZSA-N 411.295 5.485 0 1 HKAF O=C1C[C@]2(CCc3c(Br)ccc(F)c32)Oc2c1ccc1c2CCCC1 587502187 BUJYMPAQBIAEAP-NRFANRHFSA-N 401.275 5.274 0 1 HKAF C[C@@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545210 GXFIKIQVHBIEGD-RXVVDRJESA-N 400.352 5.288 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)F)c(Cl)c1 587553449 FBVKWEOQEXPPFP-XLIONFOSSA-N 418.779 5.350 0 1 HKAF Cc1ccc(C)c(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587580909 ZZUZGVAGZDWALK-ZEQKJWHPSA-N 411.457 5.503 0 1 HKAF Cc1cc2c(cc1C)[C@@]1(CCS2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615986 AMPSXPKVARTJEM-XUZZJYLKSA-N 404.487 5.362 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2cccc(Br)c2)N1 587680332 PKURKIUXXPFENG-BMLIUANNSA-N 413.128 5.169 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3cccn3)c(Cl)c2)N1 587696002 OTVWHLZYNIODRS-WYRIXSBYSA-N 420.713 5.051 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(C(F)(F)F)N1 587709241 JPQGQUMSJMYZPY-FVMDXXJSSA-N 406.192 5.067 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3c(F)cccc3F)o2)N1 587714489 ABQCUXQXYNTECA-FVINQWEUSA-N 422.244 5.750 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)c(Cl)cc2F)N1 587722299 XYFXMHJHHZXHLO-CQLKUDPESA-N 421.112 5.832 0 1 HKAF COc1cc(Cl)cc(F)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587722957 UTZUJDTUSOHUNM-QPFGOUBPSA-N 402.666 5.013 0 1 HKAF CCc1ccccc1-n1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587757083 UTNMGMZGODAIKY-RCDICMHDSA-N 413.334 5.565 0 1 HKAF CCOc1ccc2nc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 587780230 ZCYXELIBCGVAQP-LAJNKCICSA-N 415.306 5.159 0 1 HKAF CCOc1cccc2[nH]cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c12 587801984 JMGUHBCSIRSDBJ-GIPWTMENSA-N 403.295 5.092 0 1 HKAF CCOc1ccc(OCC)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587804415 ZGXDBHJKXUWLDC-ZSEKCTLFSA-N 422.338 5.183 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2Cc2cccs2)N1 587849510 AFSZIUVEJGHTSL-CWTRNNRKSA-N 405.336 5.123 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nc(-c3ccccc3)cs2)N1 587855260 UCLZRFOXHVGBOK-MPBGBICISA-N 417.347 5.509 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](C)c2nc3ccccc3s2)N1 587857598 LDXFOALZSAIIAQ-JGRMJRGVSA-N 419.363 5.751 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)c2C)c(OC)c1 587930644 UCJAARVKJQDXJL-UHFFFAOYSA-N 406.413 5.060 0 1 HKAF CCS(=O)(=O)c1ccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2c1 587957801 VKUIOXKGSOPDQR-UHFFFAOYSA-N 422.591 5.275 0 1 HKAF Cc1ccc(-c2ccc(O[C@@H](C)[C@]3(C)N[C@H](C(=O)O)Cc4cccc(F)c43)cc2)cc1 962898850 OZIKQYKJISNXQA-RUJAXMSRSA-N 419.496 5.083 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1cc(-c2ccc(Cl)c(Cl)c2)no1 963239060 IZVMYLVOANVASA-CMJOXMDJSA-N 415.364 6.569 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@]21C[C@H](C)CCc2ccc(Br)cc21 963259153 RSJAAASFKAHIEE-ASSNKEHSSA-N 420.778 5.473 0 1 HKAF COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1[C@@H](CC(=O)O)c1ncc(C)s1 1772653357 IEYRAJYPAQOVLP-QGZVFWFLSA-N 421.440 5.753 0 1 HKAF CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C(=O)O)cc1 1857620125 SFBLOCOVAHJNDL-UHFFFAOYSA-N 406.265 6.049 0 1 HKAF Oc1noc2cc(Oc3ccc(CN4CCC[C@@H]4c4ccc(Cl)cc4)cc3)ccc12 1911580664 WPUDEWVQDZEWRU-JOCHJYFZSA-N 420.896 6.316 0 1 HKAF Cc1cc(C)c(-c2cccnc2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 1911582318 XFAGSPIULJRXGV-UHFFFAOYSA-N 409.489 5.592 0 1 HKAF CC1=C[C@H](CNCc2ccccc2F)[C@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 2356287878 QYZLKNCISDIAQO-ZRBLBEILSA-N 419.588 6.197 0 1 HKAF CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@]1(C)[C@@H]3CCc4cocc4[C@@]3(C)CC[C@H]12 2356386699 SOCWJJCWFLDOKZ-UQSTXUIISA-N 412.614 6.686 0 1 HKAF CCC(CC)C(=O)NC[C@@H]1C=C(C)[C@@H](Cc2nc3cccc(C)c3[nH]2)C[C@H]1C(C)C 2356399884 JICXQTKWRNAWLY-FSSWDIPSSA-N 409.618 5.821 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)c(Cl)c(C)c(C(=O)O)c1O 2356544311 KRSHXWRHUWEJOO-UHFFFAOYSA-N 406.950 6.720 0 1 HKAF CCC(CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)=C(C)C 2356553495 CJSJAHSQZQIOPX-HQIMOVAUSA-N 414.718 8.169 0 1 HKAF C[C@H](C1=NC[C@H](C)CC1)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N)CC[C@]4(C)[C@H]3CC[C@]12C 2356602685 IWJUNMWYVUJLJD-QCJRPAINSA-N 414.678 5.450 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@]35CC[C@]12C 2356614253 NAJCQAAOHKVCES-YTMGNKDFSA-N 424.713 8.377 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CC[C@]1(C)C2=CCCC(C)(C)[C@H]2CC[C@H]1C 2356699582 BOUHSOCEHRQJNM-GOHWNWGWSA-N 423.649 5.798 0 1 HKAF CC(C)n1ccc2c(C(=O)N3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@H]43)cccc21 2356747529 BFXPEPYEGLMSDT-ROBHXDBVSA-N 417.597 5.257 0 1 HKAF CO[C@@H]1C=C2[C@@H](O)C[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@]2(C)CC1 2356765856 SIYANCUAIYPIFS-AONIDECOSA-N 416.690 7.014 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CC[C@]1(C)[C@@H](C)CC=C2C(C)=CCC[C@@H]21 2356842143 MLECYASLDLXTON-QYXIYQDXSA-N 407.606 5.328 0 1 HKAF CC(C)CC=C[C@H](C(=O)O)C1=CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 2356868410 XBGUSQBSWPZOOX-WOUSRVCJSA-N 414.630 6.229 0 1 HKAF Cc1cccc(N2C(=O)N3[C@@H]4c5ccccc5OC[C@@H]4[C@@H](c4ccccc4)[C@]3(C)C2=O)c1 15936698 SRCMJMZEAWKGPN-VBHAUSMQSA-N 424.500 5.070 0 3 HKAF CC[C@H](C)Sc1cc(-c2nc3ccccn3c2NC2CCCCC2)ccc1OC 36382298 JZPBOMXNTAMDMJ-KRWDZBQOSA-N 409.599 6.645 0 3 HKAF CCOc1ccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)NCCC(C)C)cc1 774437 HSYQXXOEAIKLFW-UHFFFAOYSA-N 408.498 5.192 0 1 HKAF Cc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)n1 6783243 FWJIOVWYLXDCDZ-VXKWHMMOSA-N 419.550 5.027 0 1 HKAF C[S@](=O)c1ccc(CSc2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 13491667 PRYUWQSCZBKGMW-GDLZYMKVSA-N 423.538 5.308 0 1 HKAF in-vivo CC[C@](OCCCc1ccccc1)(C(=O)NCCCc1ccccc1)c1ccccc1 13586446 VMGOPYGPNOSTAJ-MUUNZHRXSA-N 415.577 5.690 0 1 HKAF CC1=CC[C@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C 14720215 CJRZLPSJKBMUPM-PUTJVUFMSA-N 424.713 8.233 0 1 HKAF endogenous,in-man CC(C)=CCOc1cc(O)c2c(c1CC=C(C)C)O[C@@H](c1ccc(O)cc1O)CC2=O 14762622 SXRPAWKWQUYIOI-HSZRJFAPSA-N 424.493 5.364 0 1 HKAF biogenic,in-vitro CCc1cccc(-c2[nH]c(-c3cccs3)nc2-c2ccc3c(c2)n(C)c(=O)n3C)c1 14958502 JVRNWORTFYDDFN-UHFFFAOYSA-N 414.534 5.225 0 1 HKAF C1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2CCCOc1cccc2[nH]ccc12 28374045 ZWGCNJQKTLJLKQ-RPBOFIJWSA-N 408.545 6.410 0 1 HKAF CCOc1ccc(-c2nnc(C)c3c(C)n(-c4ccc(OCC)cc4)c(C)c23)cc1 28756342 ZGWYLQITYWVNNW-UHFFFAOYSA-N 401.510 5.810 0 1 HKAF CCN(CC)[C@@H](C)CCCNc1nccc(NCc2ccc(Cl)cc2Cl)n1 28817861 HILQSLVIBNFOMC-HNNXBMFYSA-N 410.393 5.318 0 1 HKAF CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C 38175166 GTXYASOPMHQGPE-KBVVDYDXSA-N 414.678 5.021 0 1 HKAF CC[C@H]1CN(Cc2cccc(O)c2)CC[C@H]1CCCc1ccnc2ccc(O)cc12 45188490 FOCGZQUDLYRRTE-LEWJYISDSA-N 404.554 5.517 0 1 HKAF Oc1cc(Nc2ccnc3ccc(I)cc23)c(F)cc1Cl 45301827 VVTSBQJLODQIMB-UHFFFAOYSA-N 414.605 5.081 0 1 HKAF O=C(O)c1cc(F)c(F)cc1-c1ccc(CCc2nc(CC3CCCCC3)c[nH]2)cc1 49071186 WRTOIQWQOCBQCT-UHFFFAOYSA-N 424.491 5.961 0 1 HKAF CN(C(=O)c1ccccc1Br)N1c2ccccc2CCc2ccccc21 68589050 BZNUCLQOTMRFPA-UHFFFAOYSA-N 407.311 5.373 0 1 HKAF biogenic Cc1cccc(-c2nc(NCC3CCCCC3)ncc2C(=O)N[C@@H]2CCCC[C@@H]2C)c1 82216721 MTLAQRVEAZOBKG-WMZHIEFXSA-N 420.601 5.753 0 1 HKAF Cc1ccc([C@@H](O)/C=C/c2coc3cccc(OCC4CCCCC4)c3c2=O)cc1 95598095 TUYWTLYYWZMLQR-FRFYRWIFSA-N 404.506 5.807 0 1 HKAF Nc1ncc(-c2cnn(C3CCNCC3)c2)c2cc(-c3cccc4ccsc34)oc12 95920804 HYMAZAOGZLVDSM-UHFFFAOYSA-N 415.522 5.080 0 1 HKAF in-vitro CCOc1cccc(N2[C@H](c3ccccc3)[C@]23C(c2ccccc2)=Nc2ccccc23)c1 103276180 LWSQUDITYPSJAA-TUPFJZFKSA-N 416.524 6.677 0 1 HKAF Nc1ccc(-c2ccccc2F)cc1NC(=O)c1ccc(CNc2ccncc2)cc1 142206341 LNAZWDQBIRLRLZ-UHFFFAOYSA-N 412.468 5.334 0 1 HKAF CC(C)CCNCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 145522569 XZDRMWHWPNQRHE-QFIPXVFZSA-N 408.567 6.137 0 1 HKAF CC(C)CCNC(=O)c1ccc(NC(=O)N2Cc3ccc(C(F)(F)F)cc3C2)cc1 167130098 NREMGPKVEFJQLI-UHFFFAOYSA-N 419.447 5.029 0 1 HKAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1nc2ccccc2s1 169722353 SUVGGIIPTFDMFF-RTBURBONSA-N 413.333 6.279 0 1 HKAF Cc1cccc2oc(=O)c3c(c12)O[C@@]1(C(=O)CC(C)C)O[C@H]3[C@@H]2[C@@H](C)CC[C@@H]2[C@H]1C 238745870 OIVSDRARUTXWJF-UBWSPPLRSA-N 410.510 5.175 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@@]3(C)[C@H]4CC=C5[C@@H](CCC(=O)C5(C)C)[C@@]4(C)CC[C@@]3(C)[C@@H]2C1 238762117 XUPCBKGIPJPDGW-KKGVBXJVSA-N 424.713 8.377 0 1 HKAF CC1=C(CC[C@H](C)CO)O[C@@H]2C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 255220031 IQDKIMJGXXRZGR-ACRWTHORSA-N 416.646 5.698 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(Cl)ncc(Cl)c4[nH]3)cc2)CC1 586879086 DQLFFUVNRUVMRQ-SHTZXODSSA-N 402.369 7.396 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@H](O)[C@@H](C)c4ccc(C)cc4)[nH]c3c2)cc1 586892456 SKRBOWMSXRLGPK-QMHKHESXSA-N 416.477 5.287 0 1 HKAF Clc1nccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1Br 586979059 FSSQKKQBEKGIIF-UHFFFAOYSA-N 416.731 6.192 0 1 HKAF Cc1cc(Br)ccc1OCc1nc2cc(Br)c(C)c(C)c2[nH]1 586981183 LYCCYQRAEXYLCW-UHFFFAOYSA-N 424.136 5.592 0 1 HKAF COc1cc2nc(-c3cccn3-c3ccc(Br)cc3C)[nH]c2cc1OC 586981249 MVCXWEOOXOZOLN-UHFFFAOYSA-N 412.287 5.109 0 1 HKAF Oc1ccc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c2c1 587013848 ZNIQFJUFURGVQT-UHFFFAOYSA-N 417.921 6.303 0 1 HKAF Clc1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2nc1Cl 587014304 PABIHRYZKOBXGM-UHFFFAOYSA-N 416.120 6.362 0 1 HKAF CC(C)CCOc1cc2nc(-c3csc4c3CCOC4)[nH]c2cc1Br 587031218 CATIKWXHHCXOAM-UHFFFAOYSA-N 421.360 5.552 0 1 HKAF CSc1ccc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2c1 587032827 CTSGSWREDCUGCE-UHFFFAOYSA-N 401.557 5.307 0 1 HKAF CC(C)(C)c1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1 587054931 DKAMSVSAZPFEHS-UHFFFAOYSA-N 415.320 7.006 0 1 HKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(C(=O)c3ccccc3)ccc2[nH]1 587066751 RDYLPVLOJIEWMR-UHFFFAOYSA-N 411.892 6.213 0 1 HKAF CC(C)(C)OC(=O)NC[C@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587103003 CJHNMUZHMSDKIH-CQSZACIVSA-N 400.478 5.001 0 1 HKAF CCCOc1cc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1Br 587149764 AYJNUPWKNDIILR-RYUDHWBXSA-N 407.258 5.664 0 1 HKAF Cc1ccc2c(c1)OCCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354712 AYOOTQLNLVICSK-UKILVPOCSA-N 404.437 5.267 0 1 HKAF CCOC(=O)[C@@H]1c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C[C@@H]1C 587362624 KWULEVRBWNCRQM-XOBRGWDASA-N 401.462 5.496 0 1 HKAF COc1cccc(-c2c(C)c(-c3ccc4c(c3)OCCO4)nc3c2oc2ccccc23)c1 587365195 JWJIIYTUBLNSAF-UHFFFAOYSA-N 423.468 6.403 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(Br)cc3)cc1)O2 587372048 NVGRHDULEZIVRS-NRFANRHFSA-N 408.295 5.713 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cc(Cl)ccc1Cl)([C@@H]1CCOC1)CC2=O 587461707 LXCDIQBOJLIQMI-DMZKTXOQSA-N 421.320 5.549 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc21 587470439 NGEFZXBHRYXTHI-DFBJGRDBSA-N 423.509 5.175 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1c(-c3ccccc3)nn3ccccc13)CC2=O 587483506 MOMVNHJHSSTZPI-SANMLTNESA-N 412.489 5.540 0 1 HKAF O=C1C[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)cc2)Oc2c1ccc1c2CCCC1 587504948 HDLGITSMACDWEH-DEOSSOPVSA-N 422.446 6.958 0 1 HKAF C[C@H]1CCCN(CCOc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)C1 587515608 VTHTYGACVLHKSD-SIBVEZHUSA-N 419.565 5.383 0 1 HKAF CCCCOc1ccc2ccccc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587520471 CETICWTUFAYRPN-RUZDIDTESA-N 400.518 6.604 0 1 HKAF CCC[C@H]1CC[C@H](CCC2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)CC1 587526843 TZNYESHUUUZNKE-IFZJPUESSA-N 422.653 7.846 0 1 HKAF C[C@@]1(c2sccc2-c2cccc(C=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587532746 SHXLCFDOTZCCGN-VWLOTQADSA-N 402.515 5.987 0 1 HKAF Cc1nc(Nc2ccccc2)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587536180 TTZJDVGRCBUMDH-XMMPIXPASA-N 404.535 5.955 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cc(Cl)cc1Cl 587540733 BMSQJWGCAYWGAO-YLJYHZDGSA-N 421.663 6.055 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CC1CC1)c1ccc(Cl)cc1 587549676 SPXKQDNAQCNBJT-QPPBQGQZSA-N 406.865 5.703 0 1 HKAF CC(C)[C@@]1(c2ccc(OCCF)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558982 YWZCRYKVLBBAMR-RDGATRHJSA-N 422.452 5.254 0 1 HKAF C[C@]1(c2cccc(C3CCC3)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587566700 ANFDJECTENZECR-SQJMNOBHSA-N 404.437 5.676 0 1 HKAF O=Cc1cc2sc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2s1 587618422 OPBSKYBJLDYNOR-RXVVDRJESA-N 408.456 5.184 0 1 HKAF CCOC(=O)CCCCCc1c(-c2cccc(Cl)c2)[nH]c2c(C(=O)O)cccc12 587638068 IQVMQMHFDRIJLH-UHFFFAOYSA-N 413.901 5.853 0 1 HKAF Cc1cc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587711985 YYJUFIZXIWJHED-BTDLBPIBSA-N 420.219 5.376 0 1 HKAF C[C@H](C(F)(F)F)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587712208 ZZVYAJGLQKIBOS-FTLABTOESA-N 416.256 5.564 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)cc2C(F)(F)F)N1 587713319 SNLPPKKROBMHTQ-HUTHGQBESA-N 420.219 5.544 0 1 HKAF CC[C@@]1(c2ccc(OCC(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795812 RUZMADSUXQDDMQ-NYHFZMIOSA-N 420.366 5.811 0 1 HKAF CCOc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC 587803089 VYVYTLBNXQMBNX-ASSNKEHSSA-N 422.338 5.183 0 1 HKAF Cc1cc2cc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)oc2cc1C 587831687 XWMBYACXSISDPN-YEJXKQKISA-N 402.307 5.749 0 1 HKAF Cc1nc(C(C)(C)C)sc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587854844 UHAWUOXJJSFEJW-GIGQVBGESA-N 411.384 5.448 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(C(=O)OC)cc1OC 587860490 VEZAITXFJYTJAD-UHFFFAOYSA-N 421.280 5.040 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(OC)c(Cl)cc4[nH]3)c2C)c(OC)c1 587930197 QVKOVPQHJFJFMB-UHFFFAOYSA-N 408.885 5.885 0 1 HKAF Cc1ccccc1-c1ccc(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 587958651 DPEWTUDIMCRGOX-UHFFFAOYSA-N 421.294 5.590 0 1 HKAF COc1cccc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)c1OC(C)C 961614336 KUTNFZJGKWSACO-LJQANCHMSA-N 402.332 5.013 0 1 HKAF Cc1ccc([C@]2(c3ccccc3Br)NCCc3ccc(F)c(C)c32)nc1 962150391 ZDWXAFUVZYAMSO-QFIPXVFZSA-N 411.318 5.038 0 1 HKAF Cc1cccc(C)c1-c1cccc([C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962760189 DMCYEJBVPSGIQK-FYYLOGMGSA-N 409.451 5.706 0 1 HKAF Oc1ccc(CC[C@]2(C(F)(F)F)c3ccsc3CCN2Cc2cccnc2)cc1 962995785 GSJNWHKWYJANCF-OAQYLSRUSA-N 418.484 5.297 0 1 HKAF Cc1cc(F)cc([C@]2(c3ccc(Br)cc3)NCCc3c(C)ccnc32)c1 963075550 SMUSDQBWEULODS-QFIPXVFZSA-N 411.318 5.038 0 1 HKAF CCOC(=O)c1cccc([C@@]2(CC(C)(C)C)c3ccc(F)cc3C[C@H]3CCCN32)c1 963111801 RKBPAVVQTOSJKW-GJZUVCINSA-N 409.545 5.703 0 1 HKAF CCOC(=O)c1c(Cc2c(Cl)cccc2Cl)[nH]c2c1cc(O)c1ccccc12 1857654810 SHQLRTMVQNULDT-UHFFFAOYSA-N 414.288 6.101 0 1 HKAF CCOC(=O)c1c(C)oc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c12 1857775146 XOSRBSRLKZCBCJ-UHFFFAOYSA-N 403.438 5.031 0 1 HKAF Cc1nc(C=C[C@H](O)CC=CCCC[C@H](C)[C@@H](O)[C@H](C)C(=O)C(C)(C)C)cs1 2356337229 SQZGLNJGLTXCMY-ZCLUNYJNSA-N 407.620 5.191 0 1 HKAF CC(C)=CCCC(C)=CC[C@]12CCN(C)[C@H]1Nc1c(Br)ccc(O)c12 2356461898 YFSNZRUSLZKXIV-NHCUHLMSSA-N 405.380 5.562 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](C)[C@@H]21)C(C)C 2356525169 VAXPLJSKWWBBMD-SAYSJLMISA-N 410.686 7.865 0 1 HKAF CC(C)[C@@H]1CC[C@@H]2[C@@H]1CC[C@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@@]21C 2356615013 RNHGVUKUAAZWMB-ANMFYEJKSA-N 412.702 7.635 0 1 HKAF CC1=C[C@H](CN(C)Cc2cccnc2)[C@@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 2356671428 YYKVSYYALWSRHE-BHDDXSALSA-N 410.606 5.291 0 1 HKAF COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCc1ccsc1 1486986 ORADRWKXLYIOGS-UHFFFAOYSA-N 415.877 5.815 0 1 HKAF COc1cc([C@H]2C=C(c3ccccc3)Oc3cc4c(cc32)OCO4)cc(OC)c1OC 1650722 KFDCXQCCGHOTLJ-QGZVFWFLSA-N 418.445 5.007 0 1 HKAF CC(C)CCNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F 2483277 VFKOHNWVIDDFLX-UHFFFAOYSA-N 404.844 5.716 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)NCCCC(=O)O 8860426 OPNPMRWLOMHQFA-DOFZRALJSA-N 417.634 6.893 0 1 HKAF CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCCF)c1CCC 13672381 VXDBVCLWDJPKCF-UHFFFAOYSA-N 417.546 5.673 0 1 HKAF CC/C(=C(\Cc1ccccc1)c1ccccc1)c1ccc(OCN2CCCCC2)cc1 26017830 HPBSYQHWESRCQQ-ZIADKAODSA-N 411.589 7.072 0 1 HKAF O=C(O)CCC/C=C\C[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1/C=C/[C@H](O)CCc1ccc(Cl)cc1 27556729 OWLWEPFVFFUXLA-RZZCKKAYSA-N 414.973 5.829 0 1 HKAF C[C@H]1CN2CCN(Cc3ccc4ccccc4c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 28604423 IEWRYHIJZPDFRH-FBQMUFCQSA-N 400.566 5.029 0 1 HKAF Cc1cc(Cl)ccc1/C(=C/CC[C@H]1CCC[C@H](C(=O)O)C1)c1sccc1C 29463875 UGEXRKOELCQQSF-IBTGVBLBSA-N 402.987 7.121 0 1 HKAF CCCCc1ccc(C(=O)N(C)CCCNc2ccnc3cc(Cl)ccc23)cc1 35190752 FRWLIPBLOXJLSQ-UHFFFAOYSA-N 409.961 5.805 0 1 HKAF COc1cc2nc(NCc3cccs3)nc(NC3CCCCCC3)c2cc1OC 40845382 WFYFXVRWARJSRP-UHFFFAOYSA-N 412.559 5.455 0 1 HKAF O=C(/C=C/c1cc(-c2ccc(-c3cccc(O)c3)s2)ccc1O)Nc1ccccc1 45284646 WDLAYGVCFGGZCO-GXDHUFHOSA-N 413.498 6.145 0 1 HKAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc(F)cc3)n2)C1 82139883 SADRXPXKCDHRJO-HDICACEKSA-N 424.564 5.170 0 1 HKAF Cc1nc(N(C)C2CCCC2)nc2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc12 84616197 IPSZMQXNYKYOEZ-NTEUORMPSA-N 420.944 5.622 0 1 HKAF Cc1ccc([C@H]2N(C)c3ccccc3C(=O)N2c2ccccc2Br)s1 95583678 HDUMUZRZBJOEPL-IBGZPJMESA-N 413.340 5.614 0 1 HKAF CC[C@H](COc1cccc(C(F)(F)F)c1)OC(=O)NCc1ccc(Cl)cc1 103194094 BGDHNSGPGZOUOG-MRXNPFEDSA-N 401.812 5.443 0 1 HKAF O=c1cc(-c2cccc(CNCc3ccc(Cl)cc3Cl)c2)oc2ccccc12 103294513 BRJWYLWSEMAUJU-UHFFFAOYSA-N 410.300 6.057 0 1 HKAF CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2scnc2c1)c1ccccc1 114595092 ZUYFQXNGISWJNF-YJFMDEFYSA-N 411.526 6.763 0 1 HKAF O=C(O)c1cccc(NCc2cccc(-n3ccc4c(-c5ccccc5)cccc43)c2)c1 118273934 SBUQNIOPMHGCAS-UHFFFAOYSA-N 418.496 6.608 0 1 HKAF COc1ccnc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)c1 148175237 FCSFQSHJYPLJCW-UHFFFAOYSA-N 422.444 5.052 0 1 HKAF Cc1ccc(-c2cc([C@H](O)C[C@@H]3CCCCN3)c3cccc(C(F)(F)F)c3n2)cc1 169333402 BBRUOXSEHMIAPY-HTAPYJJXSA-N 414.471 5.795 0 1 HKAF CC(C)CC(=O)C[C@@H](C)[C@]1(C)CCC2=C1CC=C1[C@H]2C[C@H](O)[C@@H]2C[C@@H](O)CC[C@]12C 255269522 SZEHWLFLRCOLOE-XQPICORMSA-N 414.630 5.603 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257783876 ZMYBKDLUDWAJSA-GWEYPQJLSA-N 400.691 8.067 0 1 HKAF endogenous,in-man O=C(Nc1ccc(Cl)cc1)Nc1cc([C@@H]2CC2(F)F)nn1Cc1ccccc1 299818892 AQZITIDJRSGDHD-INIZCTEOSA-N 402.832 5.351 0 1 HKAF Cc1nn2c(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c(-c3ccccc3)nc2s1 473115313 RNZMGEYAXHZGJW-UHFFFAOYSA-N 400.294 5.616 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc5c(cc4[nH]3)CCC(=O)N5)cc2)CC1 586880582 MTLQTCJQTRIXAU-IYARVYRRSA-N 401.554 6.579 0 1 HKAF CS(=O)(=O)c1ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c1 587015634 TWWHDNWAOLMFMP-UHFFFAOYSA-N 424.334 5.064 0 1 HKAF CC(C)(C)c1cccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c12 587031865 QCNONEJHTOGCRA-UHFFFAOYSA-N 400.345 6.087 0 1 HKAF FC(F)(F)Oc1cccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c12 587048010 OYQXGJMRQCEHSC-UHFFFAOYSA-N 423.221 7.102 0 1 HKAF COc1cc(OC)c2[nH]c([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc2c1 587072268 PYMGVTKAZNTHRJ-YFJCXSBHSA-N 417.336 6.253 0 1 HKAF COc1ccc2cc(-c3nc4cccc5c4c(c3C)-c3ccccc3C5=O)ccc2c1 587107765 VLPWPLCZOJDEKG-UHFFFAOYSA-N 401.465 6.583 0 1 HKAF Cc1c(Br)cc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c2c1C 587108699 PNFXEPSQXDRLAA-UHFFFAOYSA-N 413.193 5.326 0 1 HKAF CC(C)(C)Oc1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c(N)cc1F 587136845 XBIIFZNZOPNCKZ-UHFFFAOYSA-N 412.690 5.544 0 1 HKAF Cc1nc2[nH]c(-c3ccccc3-c3ccc(F)c(F)c3)nc2cc1Br 587145804 RFLBFIFKGJNXRG-UHFFFAOYSA-N 400.226 5.641 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1F 587149081 GHCBALLDQPAQPA-QGZVFWFLSA-N 406.219 5.711 0 1 HKAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587163233 MUXWLZLXUFVUFH-UHFFFAOYSA-N 422.459 6.179 0 1 HKAF Cc1cc(Br)cc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 587225512 LGABXBLLSMYQLP-MRXNPFEDSA-N 408.340 5.390 0 1 HKAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587233217 KTHFHLHVDRNYPU-JQWIXIFHSA-N 403.832 5.396 0 1 HKAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 587233630 URNIGOCRLYHOIP-ROUUACIJSA-N 407.514 5.303 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(C2CCCC2)[C@@H]1c1ccc(F)cc1 587339978 WMPLYPZHBHUQIQ-AOYPEHQESA-N 420.455 6.115 0 1 HKAF Cc1ccccc1[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351073 FYMIGLHLONKGIE-BVAGGSTKSA-N 404.481 6.140 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cccc4c2[C@H]3CCC4)c1 587364783 CYXCAXNRNNNVTL-HXUWFJFHSA-N 403.481 7.105 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(CN3CCC(C)CC3)c(C)cc1C)CC2=O 587474471 HKHJDADRLYMJKN-SANMLTNESA-N 421.581 5.900 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccccc2C2=C1CCC(C)(C)O2 587475939 BFBMVCSTSNVBKC-SANMLTNESA-N 418.489 5.245 0 1 HKAF CCCC/C=C/CCCCCCCCC[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587489178 NHNJJLXFIWOYMT-DORXLWPQSA-N 414.630 7.936 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C=C(OC)c2sccc21 587494649 LICGOLJOHBQHJA-VWLOTQADSA-N 418.514 5.773 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(O)cc1Cl 587547790 UPCLCOBMGZHIAZ-PXNSSMCTSA-N 403.217 5.108 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC1(CCc3ccccc31)CC2 587602267 HGYLRVVCWUMGDS-OMXGPXTPSA-N 412.485 5.551 0 1 HKAF Cc1cc(C(C)(C)C)cc(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604840 ZHBMZTFCRJFWNE-YIXXDRMTSA-N 416.517 6.184 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3cccc(C(F)(F)F)c3)[nH]c12 587624465 MYJJCKYVTPBQTR-UHFFFAOYSA-N 405.725 6.561 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(OC(F)F)c3)c(C(=O)C(F)(F)F)c2c1 587641138 KNDCQKDOLOTVBH-LLVKDONJSA-N 411.370 6.695 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc4c(c3)NC(=O)CO4)c2c1 587642161 PVIAQHLNEUUBOA-LLVKDONJSA-N 416.399 5.262 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccccc3Cl)CC2)N1 587694403 HOTMJPANLZEYFE-ZDUSSCGKSA-N 423.757 5.272 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2ccc(Cl)c(Cl)c2)N1 587698934 WFSCITPZAXAHOS-XLFHBGCDSA-N 403.122 5.713 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2cccc(Cl)c2)N1 587704126 SLHSANJUDLQXHI-HNDNADPKSA-N 423.757 5.095 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c(F)cccc2F)(C(F)(F)F)N1 587705776 MZWWUCYXSJWZMS-ZKANADHPSA-N 424.182 5.207 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)cc2F)N1 587712994 RLMFUVUAZRHWBV-VVVCHXIZSA-N 420.219 5.544 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(OCC3CC3)c2)N1 587718327 MYNCFYLUFFMEOR-GIPWTMENSA-N 408.286 5.140 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)c(Cl)cc2F)N1 587722503 RZKBUKYCGBOJEC-QPFGOUBPSA-N 404.657 5.318 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)CN(C)Cc2ccccc2)N1 587742573 SAJYCDYGKQAJGL-YCRPNKLZSA-N 419.382 5.322 0 1 HKAF COc1ccc2[nH]cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1C 587794966 WZIHHJPIWIIVBP-CFMSYZGJSA-N 403.295 5.010 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC1CC1 587804195 CUSQJKIJHZAFFO-ASSNKEHSSA-N 404.323 5.309 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nc(-c3ccccc3)cs2)N1 587851510 CFYRRTYRUYXFMJ-FKIZINRSSA-N 417.347 5.509 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2nc3ccccc3s2)N1 587854815 DMYPEEIVMNJVPL-JEOXALJRSA-N 405.336 5.190 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccc(CC)cc2s1 587867446 ZMFNCHIFRXKGJA-UHFFFAOYSA-N 417.456 6.129 0 1 HKAF COc1ccc(-c2cccc(-c3nc4ccc(Br)cc4[nH]3)c2C)c(OC)c1 587931233 ZUUUUNQSOFJURV-UHFFFAOYSA-N 423.310 5.985 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c(N)ccnc2[nH]1 587959618 MOEVHHSLIQNRBH-WWMAXSSBSA-N 418.629 7.394 0 1 HKAF CC(C)Oc1cc2nc(/C=C/c3cccc4ccccc34)[nH]c2cc1Br 587969459 TUQSTHUIXPDOIQ-ZHACJKMWSA-N 407.311 6.436 0 1 HKAF COc1ccc(CO/C(O)=C2/C(C)=Nc3nc4ccccc4n3[C@@H]2c2ccco2)cc1 618007164 NZFLBJPNBKHTMX-RKKARLDVSA-N 415.449 5.320 0 1 HKAF CC(C)Oc1cc(NC(=N)c2ccccn2)ccc1-c1ccc(-c2ccc(F)cc2)o1 653721381 FLAZAKNNTRXOTN-UHFFFAOYSA-N 415.468 6.372 0 1 HKAF CCOc1ccc(-c2cc(C(=O)O)nn2-c2ccc(Oc3ccccc3)cc2)cc1 653849874 GRDDGUBYUUVVGI-UHFFFAOYSA-N 400.434 5.429 0 1 HKAF COc1ccc([C@]2(c3cc4cccc(OC)c4o3)NCCc3ccc(F)c(C)c32)cc1 962373752 IZNRMFKXWVSZFF-AREMUKBSSA-N 417.480 5.335 0 1 HKAF COc1ccc2c(c1OC)[C@@]1(CCCc3c1[nH]c1c(Cl)cccc31)N(C)[C@H](C)C2 962638970 XRFQUTUYQGWZPL-JBEBIEQOSA-N 410.945 5.295 0 1 HKAF Oc1ccc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c2ccccc12 962650075 YCHRJJDRLJGOMW-DWACAAAGSA-N 406.529 5.382 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@]3(CCc1ccccc1C)c1ccccc1C 963057839 OYJBHYFBJLWNGK-GDLZYMKVSA-N 422.572 5.882 0 1 HKAF CSCC(C)(C)[C@@H]1c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963852054 ABKXSVHWPUEWQO-APWZRJJASA-N 407.576 5.062 0 1 HKAF CC[C@H](C)[C@]1(C)c2cc(O)ccc2CCN1c1nc(Cl)nc2c1ncn2C(C)C 963917456 WBRIRGUXKKFEFX-RCDICMHDSA-N 413.953 5.090 0 1 HKAF O=C(NCCCc1ccc(-c2cccs2)s1)c1cc(F)cc(C(F)(F)F)c1 1772572063 NIBOVFYPTBIGAP-UHFFFAOYSA-N 413.461 5.997 0 1 HKAF N[C@@H](c1ccc(-n2cc(-c3ccc4cc[nH]c4c3)c(C(F)(F)F)n2)cc1)C(F)(F)F 1911580441 JQZZMLROBKQJFL-KRWDZBQOSA-N 424.348 5.602 0 1 HKAF C[C@@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)N1CCC(Cc2ccccc2)CC1 2356290013 GUOYQCDFFXWKDC-MRXNPFEDSA-N 424.928 5.143 0 1 HKAF CC(=CCN1[CH]N(C)c2ncnc(N)c21)CC[C@]1(C)C2=CCCC(C)(C)[C@H]2CC[C@@H]1C 2356304607 UZYCIJHYYJMHIN-DYLHXGEVSA-N 422.641 5.960 0 1 HKAF C[C@@H]1CC(C)(C)CC2=C3C=C[C@H]4[C@](C)(CC[C@H]5C(C)(C)CCC[C@]54C)[C@]3(C)CC[C@@H]21 2356492104 WLTCUPJPYHDSHH-ZEEJYZGTSA-N 408.714 8.974 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C[C@](C)(C(=O)O)[C@@H]2CC=C(C)[C@@H](CCc3ccoc3)[C@]2(C)C1 2356500608 XTFVHRXNAYKKTD-PQUKWSIESA-N 414.542 5.564 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)ccc([C@H]2COc3cc(O)cc(O)c3C2=O)c1O 2356519414 APRUHIYSPZMKAG-LJQANCHMSA-N 424.493 5.103 0 1 HKAF CC(C)C1=C2[C@@H]3CC[C@@H]4[C@](C)(CC[C@@H]5C(C)(C)C(=O)CC[C@@]54C)[C@@]3(C)CC[C@@]2(C)CC1 2356585100 CUFJQMZAPYHTHV-WBEVCMOHSA-N 424.713 8.377 0 1 HKAF O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2ccccc2)n1 13534731 DUZSYBIDFHTHGJ-UHFFFAOYSA-N 409.272 6.211 0 1 HKAF COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@H]23)c2c1OC(C)(C)C2 26500351 WPKUFAIEVOBXTL-ICSRJNTNSA-N 422.569 5.260 0 1 HKAF COc1ccc(-c2cc([C@@H](O)[C@H]3CCCCN3)c3cccc(C(F)(F)F)c3n2)cc1 27524279 OZJKNWOQEZCERX-DENIHFKCSA-N 416.443 5.105 0 1 HKAF COc1ccccc1N1CCN(Cc2cccn2-c2ccccc2-c2ccccc2)CC1 28122010 RYKPYACYTGZLES-UHFFFAOYSA-N 423.560 5.475 0 1 HKAF Cc1ccc(O[C@@H](CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1 28892883 CRUWXQPBIKVAJO-SANMLTNESA-N 410.602 5.322 0 1 HKAF COc1cc2c(cc1OC)Oc1ncnc(Sc3cccc(Cl)c3)c1NC2 35847960 XBLXPOWFZJHBPD-UHFFFAOYSA-N 401.875 5.016 0 1 HKAF O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2ncnc(Nc3ccccc3)c2c1 40875966 INKWTRJXGQQCOF-UHFFFAOYSA-N 424.291 6.324 0 1 HKAF COc1ccccc1[C@H](CCN(C(C)=O)[C@H](C)c1ccccc1)[C@@H]1CCC(C)(C)OC1 64361517 OEXWBBSZVDWIDB-AGILITTLSA-N 423.597 5.984 0 1 HKAF C[C@]1(c2ccc(Cl)cc2)C(=O)C(c2ccc(Cl)cc2)=Nc2nc3ccccc3n21 66099773 ZXXOLHDCJJUNQR-QHCPKHFHSA-N 420.299 5.810 0 1 HKAF CCCCCn1cc(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)cc1-c1ccccc1 66259847 BIIPATWUVYDKKA-XMMPIXPASA-N 414.549 5.513 0 1 HKAF COc1cc(C(=O)c2sc3ccccc3c2-c2ccccc2)cc(OC)c1OC 66262195 XPFSGNFTYZJXQI-UHFFFAOYSA-N 404.487 5.825 0 1 HKAF O=C(Nc1cc(Cl)ccc1Cl)C(Br)(C(F)(F)F)C(F)(F)F 68574033 LOZLNDWKNIJWRM-UHFFFAOYSA-N 418.946 5.190 0 1 HKAF biogenic O=C(NC1CCCCC1)c1cccc([C@](O)(c2ccc(Cl)cc2)c2cccnc2)c1 72103840 FCXOGFCMCVWFRP-RUZDIDTESA-N 420.940 5.082 0 1 HKAF Cc1cccc(-c2nc(N3CCC(C)CC3)ncc2-c2nc3ccccc3s2)c1 82173486 RXVKNDDPQDAQQO-UHFFFAOYSA-N 400.551 5.965 0 1 HKAF COc1cc([C@@H]2c3ccc4ccccc4c3Oc3nc4c(c(N)c32)CCCC4)ccc1O 95561724 OJLHQYMZDBCDMI-HSZRJFAPSA-N 424.500 5.696 0 1 HKAF Cc1cccnc1CN1CCC2(CC1)CCN(c1ccc(C3CCCCC3)cc1)C2=O 96286138 GOCKIEUIWACFMQ-UHFFFAOYSA-N 417.597 5.457 0 1 HKAF O=C(Nc1sc2c(c1C(=O)Nc1ccccn1)CCCCC2)c1ccc(F)cc1 103239390 WIZVBGJITAUYFR-UHFFFAOYSA-N 409.486 5.056 0 1 HKAF O=C(N[C@H]1CC[C@H](CNc2ccccc2)CC1)c1cc(C(F)(F)F)ccc1Cl 117310652 LYGMVXMHRDGOJK-KDYLLFBJSA-N 410.867 5.760 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@]56C[C@@]5(C)C(=O)CC[C@H]6[C@]4(C)CC[C@@]3(C)[C@@H]2C1 169646716 LBIQJQUFSJKHIO-DUKQTDQASA-N 424.713 8.211 0 1 HKAF COc1ccccc1CNc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 199852221 OWTGUVUPCCNKCM-UHFFFAOYSA-N 400.400 5.578 0 1 HKAF Cc1cccc(Oc2cccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)c2)c1 205308061 NGVBRSJMMGBJDG-UHFFFAOYSA-N 404.897 5.895 0 1 HKAF c1ccc(-c2ccccc2OCCCCCCCn2cc(-c3cccnc3)nn2)cc1 221462080 SAFWLJCYESLBCY-UHFFFAOYSA-N 412.537 6.037 0 1 HKAF CC1=C2C=C[C@]3(C)[C@H]([C@H](O)C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@]2(C)CC1 255221562 JPVAZROWIZUKBT-RUYIHOGDSA-N 412.658 6.280 0 1 HKAF COc1ccc(/C=C/c2ccc(C(=O)NC[C@H](c3ccccc3)n3ccnc3)cc2)cc1 299822746 BKDQKHUOYWGCKF-DIJOXEGBSA-N 423.516 5.082 0 1 HKAF CCC[C@@H](C)COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@H](C)c2ccccc2)cc1 299855681 BFUHIAUJINRVMX-UFPGJGBJSA-N 422.613 5.558 0 1 HKAF COc1ccc(-c2cnccc2-c2cnc(NC(=O)C(C)C)s2)c(C(F)(F)F)c1 473115567 UIQNMIISGRIHIY-UHFFFAOYSA-N 421.444 5.494 0 1 HKAF CC(C)COc1cc2nc(-c3cccc4c3OCC4(C)C)[nH]c2cc1Br 586911238 FXGVPVGTPQXFGW-UHFFFAOYSA-N 415.331 5.697 0 1 HKAF COC(=O)c1cccc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c12 586983122 VZQXFNHITLRMFK-OAHLLOKOSA-N 415.331 5.484 0 1 HKAF Clc1cccc(/C=C\c2nc3ccc(I)cc3[nH]2)c1Cl 587055556 UZULXKGDWALAON-DAXSKMNVSA-N 415.061 5.645 0 1 HKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(Br)c(F)c(F)c2[nH]1 587061712 ILRJGIDIASTXGI-LLVKDONJSA-N 401.638 5.787 0 1 HKAF Fc1cc(Br)cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 587063071 MTQJDDPPQMQSSX-UHFFFAOYSA-N 415.693 6.376 0 1 HKAF Cc1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Cl 587069658 LWHJICMKQMPNHW-RGEXLXHISA-N 407.344 7.352 0 1 HKAF Cc1c(Br)ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 587080675 SKEMTHJDNRPAAY-AWEZNQCLSA-N 403.711 5.011 0 1 HKAF COc1ccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2c1 587082582 RROTZSMFAZHEEO-UHFFFAOYSA-N 401.853 5.813 0 1 HKAF CC(C)(C)OC(=O)N1CCC[C@@H]1c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104805 JQXUYQBFQISBPB-OAQYLSRUSA-N 400.478 5.518 0 1 HKAF Oc1nncc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 587112403 UVIRRHPXGSKORU-UHFFFAOYSA-N 424.304 5.430 0 1 HKAF CC(C)(C)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 587117899 HJSBCZWQBBXSRJ-UHFFFAOYSA-N 415.257 5.081 0 1 HKAF CC(C)(C)Oc1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c(N)cc1F 587136538 QTHSAIBVNDLNFD-UHFFFAOYSA-N 412.690 5.544 0 1 HKAF Fc1ccc(S)cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587141285 NWWXOLGSKWCOLX-UHFFFAOYSA-N 407.186 5.319 0 1 HKAF Cc1c(Cl)ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12 587167427 NBIYMXRFXUPLDX-UHFFFAOYSA-N 421.906 5.193 0 1 HKAF Nc1cc(-c2ccccc2)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208479 AKTRTRLEQHABTL-UHFFFAOYSA-N 404.494 6.424 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](C2CCCCC2)C3)c1 587366420 MEYAWTJQTQYXPG-IBGZPJMESA-N 411.545 7.342 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC[C@@H]3c2ccccc2)c1 587367880 ZKRIQVYNWUQOKP-OAQYLSRUSA-N 405.497 7.125 0 1 HKAF CC[C@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587375278 MDYXUVUWVQFEOV-PZJWPPBQSA-N 402.874 5.911 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cn(C(=O)OC(C)(C)C)c4ccc(C)cc14)[C@@H](C2)C3=O 587430601 JMRWVYYVWSHPHU-GAJHUEQPSA-N 419.477 5.230 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(ccn3C(=O)OC(C)(C)C)c1)CC2=O 587477942 WNXVWUXNUKLKJO-JOCHJYFZSA-N 421.493 5.789 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC=C(C)C)c(OCC)c1)CC2=O 587481709 RPQZBVVKEULKAA-QHCPKHFHSA-N 410.510 5.795 0 1 HKAF CCOc1cc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCC 587509770 XEQYTVQTDIOEKF-FQEVSTJZSA-N 400.902 5.723 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1nc(C)cc1C 587514620 HPSYFDYGZNOFDQ-VWLOTQADSA-N 416.521 5.142 0 1 HKAF O=C1C[C@](c2cccs2)([C@H]2O[C@H]2c2ccccc2)Oc2c1ccc1c2CCCC1 587529952 BXOFAINBMBQWOQ-HVCNVCAESA-N 402.515 5.628 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccc(Cl)c(Cl)c1 587544787 NYNUFHQGHTZIOV-UYAOXDASSA-N 415.272 5.662 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)c(C(F)(F)F)c1 587547847 MBTKFVHMCGQWAP-PXNSSMCTSA-N 420.770 5.767 0 1 HKAF CC(C)(C)Sc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606545 HZLGJHPPUMPJQN-SQJMNOBHSA-N 420.530 6.160 0 1 HKAF Cc1cccc(-c2nc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cs2)c1 587609899 DZEHIJJJUABGCH-OFNKIYASSA-N 415.470 5.527 0 1 HKAF Fc1cc2c(-c3ccccn3)c(-c3ccc(Br)cc3)[nH]c2cc1Cl 587628391 NRXYAXOXPIYKLG-UHFFFAOYSA-N 401.666 6.452 0 1 HKAF CCCCN(CCCC)c1ccc(-c2nn(CCCC)c(=O)c3ccccc23)c(O)c1 587660171 FBOSDVPZXDQXSK-UHFFFAOYSA-N 421.585 5.976 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2ccc(Cl)cc2)N1 587700737 LYMRMWQXMHHHMT-WYRIXSBYSA-N 410.714 5.264 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/C=C/c2ccc(Cl)cc2)N1 587702850 WVAKVLJBGDJRAL-FVSLFUMASA-N 406.726 6.087 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C(F)(F)F)c1 587713205 SCCKTGZOVYEEFS-BTDLBPIBSA-N 402.229 5.539 0 1 HKAF Cc1ccc(OC(F)F)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587722466 YXKAMQIKYUCCLX-JEOXALJRSA-N 414.265 5.296 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3ccccn3)c2)N1 587770090 HZLUCYHPVJSUIR-YEJXKQKISA-N 413.290 5.399 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c1 587779917 JONOTQWNPASDLI-UHFFFAOYSA-N 424.504 5.051 0 1 HKAF Fc1cc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2cc1-n1cccn1 587784987 XFRDRBXAYQVNBT-FMIVXFBMSA-N 410.452 5.637 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC2CCCC2)(c2ccccc2)N1 587816511 ZBKMBIOHIFRLNB-IVZQSRNASA-N 402.351 5.946 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccsc3)n2)N1 587852787 IXIQWHYSRRSVBY-WYRIXSBYSA-N 403.320 5.335 0 1 HKAF COc1ccc([C@H](c2ccccc2)c2nc3cc(Br)cc(C)c3[nH]2)cc1 587932431 FEBQFWPSXAVARY-FQEVSTJZSA-N 407.311 5.823 0 1 HKAF CC(C)CCCCCCCCCCCCCCCCCc1nc2cnnc(O)c2[nH]1 587957548 NHFMQYMBTKBGEH-UHFFFAOYSA-N 416.654 7.499 0 1 HKAF Cc1ccc(Cl)cc1NC(=O)CCCNC(=O)[C@H](C)c1ccc(CC(C)C)cc1 653760965 SVBWEJQNEZWCDK-GOSISDBHSA-N 414.977 5.486 0 1 HKAF c1ccc(N2CCN3[C@H](Cc4ccccc4[C@@]3(CC3CCCC3)c3ccccc3)C2)cc1 962640519 QWZSGUYFDLFZLW-PQHLKRTFSA-N 422.616 6.257 0 1 HKAF CC(C)(C[C@@]1(c2ccc(Cl)s2)NCCc2c(Cl)cc(Cl)cc21)C(=O)O 963109038 OTGBHPGHAIJMQH-GOSISDBHSA-N 418.773 5.599 0 1 HKAF COc1cccc(-c2cccc(-n3cc(CNCC4CCCCC4)c4ccccc43)c2)c1 1772570749 GEQDTPHGUQIIBC-UHFFFAOYSA-N 424.588 6.976 0 1 HKAF CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cccc(C)c3)cc2NC(=N)C1 1772628675 HSHMQKQWOWFEAI-UHFFFAOYSA-N 418.541 5.072 0 1 HKAF c1cc(N2CCSCC2)nc(Nc2ccc(OCCCC3CCCCC3)cc2)n1 1857558709 QXXIBOXEYTYQFD-UHFFFAOYSA-N 412.603 5.513 0 1 HKAF O=C(Nc1ccc(F)cc1)c1ccc(-c2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1 1911574624 KHAGTWJTPYCVKY-UHFFFAOYSA-N 418.399 5.729 0 1 HKAF CCCCC[C@@H](O)CCCCCCCCCCCc1cc(O)cc(O)c1C(=O)O 2356323696 FEKXOOAEAZUNSA-HXUWFJFHSA-N 408.579 6.181 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@]3(O)CC[C@@]21C 2356384831 CTEZGKJAIWCKTQ-DVKVPMNESA-N 416.646 5.250 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1[C@H](O)CC[C@]2(C)[C@H]([C@H](C)C=C[C@H](C)C(C)C)CC[C@H]12 2356393002 WPPVLVJCHIZUQE-VUCOFNPCSA-N 412.658 6.921 0 1 HKAF CC(C)=CCCC1=C[C@@H](CC(C)=CCC[C@]2(C)C=Cc3cc(O)cc(C)c3O2)OC1=O 2356440447 BNWXBVSPPVIYFO-SHQCIBLASA-N 422.565 6.580 0 1 HKAF CC(=O)OCC=C(C)CCC=C(CCC[C@@H](C)[C@@H](O)CC=C(C)C)COC(C)=O 2356461335 BZAVZICHJGLLNC-YKSBVNFPSA-N 408.579 5.289 0 1 HKAF CC(C)=CCCC(C)=CCC[C@@](C)(O)[C@@H]1Cc2c(O)c(Cl)c(C)c(C=O)c2O1 2356482307 JAXLESZZOAELTH-WMZHIEFXSA-N 406.950 5.694 0 1 HKAF CCC(=O)O[C@@H]1C=C(C(=O)OC)[C@H](CCc2ccoc2)[C@]2(C)CCCC(C)(C)[C@H]12 2356517865 WNVLMFHRBFVUQZ-ORVPSHMPSA-N 402.531 5.096 0 1 HKAF CC(C=CC=C(C)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1)=CC=CC=C(C)CCCO 2356619058 SMTGOURXPBLNQN-DPZBCOQUSA-N 412.614 5.975 0 1 HKAF C[C@]1(C(=O)Nc2ccccc2Cc2ccccc2)CCN1Cc1ccccc1Cl 61908674 BDMRWNVDNCBAPO-RUZDIDTESA-N 404.941 5.534 0 3 HKAF CC(C)=CCC[C@H](C)C[C@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@@H](c2ccc(F)cc2)O1 72137982 BRAXKJFXROHXHC-GZRFBZBPSA-N 402.535 5.375 0 3 HKAF Cc1nc(-c2ccccc2C(C)C)nc(NCc2ccc(-c3cccnc3)cc2)c1C 169302941 CSOBQKMAXFQFRJ-UHFFFAOYSA-N 408.549 6.558 0 3 HKAF O=C(NCC1CCCCC1)c1cnc(Nc2cccc(Cl)c2)cc1C(F)(F)F 3948554 WRGZEUBDIMMNBV-UHFFFAOYSA-N 411.855 5.808 0 1 HKAF CCCCNc1c(Br)cc2c3c(cccc13)C(=O)N(CCCC)C2=O 5838042 CYEQWZKXBKJMQN-UHFFFAOYSA-N 403.320 5.210 0 1 HKAF CN1[C@H]2CC[C@@H]1CC(O[C@@H](c1ccc(F)cc1)c1cccc(Br)c1)C2 13800136 MTATUXXQZDSZDW-JKWVGCSGSA-N 404.323 5.319 0 1 HKAF Fc1ccc([C@@H](NCCc2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1 20178317 UPYBXAYBVOGNNM-OAQYLSRUSA-N 407.876 5.451 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C(C(/C)=C/C(=O)O)\c2cccc(C(=O)O)c2)C(C)(C)CCC1 26579851 XKKDQOHDTASHCE-KZEPKJRYSA-N 420.549 6.828 0 1 HKAF investigational CCOC(=O)[C@H]1[C@@H](c2ccc(-c3ccc(-c4ccccc4)n3C)cc2)C[C@@H]2CC[C@H]1N2 27527297 LXPFIHFWVCMHFG-JTKRFKOTSA-N 414.549 5.146 0 1 HKAF CCC[C@H]1OC2(CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O[C@@H]1CCC 28524188 HYLDHNYFFPNIFX-SDHSZQHLSA-N 424.560 6.222 0 1 HKAF CCN(CC)CCOc1ccc([C@@H](c2ccc(SC)cc2)c2cccs2)cc1 29130621 NQEHVQHWIQYOFW-DEOSSOPVSA-N 411.636 6.371 0 1 HKAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](N(C=O)CCC(C)(C)C)CC[C@@H]4[C@H]3CC[C@@H]12 36189620 HAPCTYIHYYGVQQ-KQOQGMSFSA-N 416.650 5.113 0 1 HKAF COc1ccc(-c2c(C)noc2[C@H]2[C@@H](c3ccc(C)cc3)C[C@H]3CC[C@@H]2N3C)cc1 40421512 VXEYCCZPVLWMLA-SRTADBNSSA-N 402.538 5.701 0 1 HKAF CCCCc1cc2ccccc2c(Oc2ccc(/C=C/C(=O)O)cc2)c1-c1ccccc1 40951572 LYWRTXURSKLWCG-KNTRCKAVSA-N 422.524 7.740 0 1 HKAF in-vitro Cc1cccc2[nH]c(-c3ccc(-c4ccc(NC(=O)[C@@H](C)CN(C)C)cc4)s3)nc12 45226697 URBOKVIHXDLFJL-INIZCTEOSA-N 418.566 5.403 0 1 HKAF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3[nH]c4ccc(C)cc4c3[C@H]21 64417257 BRLKXHLOZJFGLP-BIYCFNCWSA-N 415.577 6.985 0 1 HKAF CCc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 71282117 WOEYXUARYGYRCP-QHCPKHFHSA-N 404.598 6.266 0 1 HKAF O=C1CS[C@H](c2cccs2)N1CCCCNc1ccnc2cc(Cl)ccc12 72108567 SWUSVQMJNHJILE-HXUWFJFHSA-N 417.987 5.416 0 1 HKAF Cc1nc(-c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2ccccc2)oc1C 82163301 RYHURNXBTHGBBR-UHFFFAOYSA-N 424.426 6.046 0 1 HKAF CCCCCc1nc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccco2)oc1C 82165850 YKEIOPGYQLJHTE-CALCHBBNSA-N 408.546 5.915 0 1 HKAF O=C(OC[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc2ccccc2c1)c1ccccc1 100912741 JTWKFTQCKFYFJH-BXEXUCQRSA-N 409.529 5.563 0 1 HKAF O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CC[C@@H]2C[C@@H]1c1cc(Cl)ccc12 102805429 MCLPPSVHCAKTNJ-BMLIUANNSA-N 402.730 5.270 0 1 HKAF Clc1ccc(Nc2ncnc3c2oc2cc(-c4ccc5c(c4)OCO5)cnc23)cc1 103244363 QUIXAKZSDUMLNE-UHFFFAOYSA-N 416.824 5.564 0 1 HKAF Cc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccc5c(c4)OCO5)C3=C(O)C2)cc1 104033528 BCYOGWFEJZSCQQ-PPHZAIPVSA-N 424.500 6.353 0 1 HKAF O=C(N[C@H]1CC[C@H](CNc2cccnc2)CC1)c1cc(C(F)(F)F)ccc1Cl 117309528 TXMARZZBGFWVMT-OTVXOJSOSA-N 411.855 5.155 0 1 HKAF Cc1cc(-c2cccnc2Oc2ccc(Cc3nc4ccccc4s3)cc2)ccn1 169703157 YLPOUBXKUBXBNB-UHFFFAOYSA-N 409.514 6.445 0 1 HKAF CCOC(=O)c1ccc(NC2CCC(C(C)(C)C)CC2)c(NCc2ccccc2)c1 205341384 STJUNKAFARIKLN-UHFFFAOYSA-N 408.586 6.492 0 1 HKAF CC(C)=CCOC(=O)c1cc(OCC=C(C)C)c2cccc(OCC=C(C)C)c2n1 209093197 APPXFGJVXDYNBO-UHFFFAOYSA-N 409.526 6.048 0 1 HKAF in-vitro Cc1cc(O)cc2c1O[C@@]1(C)CC[C@@H]3[C@@](C)(CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)[C@@H]1C2 238740461 LRMHPGVONLYGQD-PKLQZBHDSA-N 412.614 6.024 0 1 HKAF CC(=O)OC/C(C)=C\CC/C(C)=C/CC[C@]1(C)C=Cc2c(c3ccccc3oc2=O)O1 238742703 KQUCHSKUSYALBF-SNSCEBOMSA-N 422.521 5.973 0 1 HKAF C[C@H]1CCC([C@H](C)[C@@H]2[C@H](O)C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)=NC1 257455826 JMSRDKIFVZVAMX-JOOXHCBASA-N 413.646 5.404 0 1 HKAF COC(=O)c1cc(Cl)c2nc(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3)[nH]c2c1 586878708 JDFIMHKWZINXBZ-UHFFFAOYSA-N 420.852 5.344 0 1 HKAF CCCCCOc1cc2nc(C3CCC(CCCC)CC3)[nH]c2cc1Br 586889496 LSPHCHNQOQVWBR-UHFFFAOYSA-N 421.423 7.358 0 1 HKAF CCn1cc(Br)c(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)n1 587000820 RPMYTOBZSCLJNT-UHFFFAOYSA-N 413.344 5.284 0 1 HKAF CCCCOc1cc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2cc1Br 587056002 GMMBBUFODLTFAG-HNNXBMFYSA-N 422.754 5.400 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(Cl)nc2[nH]1 587086317 FOYZPXZPQVUGFY-RMKNXTFCSA-N 418.715 5.642 0 1 HKAF CCCCOc1cc2[nH]c(-c3ccc(OC(F)F)cc3)nc2cc1Br 587130968 UFJOGUSLPIHYBG-UHFFFAOYSA-N 411.246 5.773 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(C2CCCC2)[C@H]1c1ccc(F)cc1 587339981 WMPLYPZHBHUQIQ-AZGAKELHSA-N 420.455 6.115 0 1 HKAF COc1cccc2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349816 JGRZIGDWVIQTOJ-ZCYQVOJMSA-N 404.437 5.131 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)Cc2ccc(OC)cc2C3)c1 587362569 KCCVMMDZZCEXBO-UHFFFAOYSA-N 407.469 6.160 0 1 HKAF COc1ccc([C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1 587422748 ZPDPLRSSJBTMQQ-NTKDMRAZSA-N 406.865 5.048 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccc(F)cc4Cl)cc1)[C@@H](C2)C3=O 587429081 SCQPWHMVFMJBNL-YADARESESA-N 424.855 5.555 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)Nc1ccccc1S4)[C@@H](C2)C3=O 587449480 ASOKVZNXUXMLFQ-UPCLLVRISA-N 401.487 5.566 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(-c3ccc(OC)cc3)ccc1O)CC2=O 587485166 ZYFIADMTVRRUAG-DEOSSOPVSA-N 404.462 5.432 0 1 HKAF CCCC/C=C/CCCCCCCCC[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587489184 NHNJJLXFIWOYMT-VQKOGROQSA-N 414.630 7.936 0 1 HKAF O=C1C[C@](c2ccc(F)cc2)(c2c[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 587506783 MAEVTUOWRNIFBS-MHZLTWQESA-N 411.476 6.095 0 1 HKAF CC(C)C[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548902 RABUMRYTXBPKFW-ZJSXRUAMSA-N 408.881 5.949 0 1 HKAF COc1ccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 587599309 FAAZJLFKRCHEMH-IGKIAQTJSA-N 424.452 5.771 0 1 HKAF Cc1ccc(Oc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601066 QIMAELQGEUOJKS-IGKIAQTJSA-N 424.452 6.196 0 1 HKAF CC(C)CCCCCCCCCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604384 WDHDIMXXERCFAF-NOZRDPDXSA-N 424.581 7.279 0 1 HKAF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)Oc1c(Cl)cc(Cl)cc1Cl 587627969 DBOOJIXLPFLZCG-UHFFFAOYSA-N 407.055 6.448 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(CCCc3ccccc3)c(-c3ccc(Cl)cc3)c2c1 587641161 KSOAJACARHCZES-LJQANCHMSA-N 401.981 8.177 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(C(F)(F)F)c2)N1 587714707 WRCIARZPBYDUGX-PWJLMRLQSA-N 406.192 5.370 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(C(F)(F)F)cc2Cl)N1 587716471 VNRXAHWQYSHBOO-MLXNANBUSA-N 423.635 5.279 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc3nc(C(C)(C)C)oc23)N1 587776422 CJJWKXFTYGJSLZ-DYZYQPBXSA-N 418.310 5.046 0 1 HKAF CC[C@H](C)Oc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587798285 ZQAGFLBJKZJTTD-BYVOGVQKSA-N 422.338 5.398 0 1 HKAF COc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)CCCC2 587812524 ZTZJLNXYUJCHLI-QKVFXAPYSA-N 404.323 5.099 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1/C=C\[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587813418 CKFVWDXWVKLMIN-QXDBVKBGSA-N 406.383 6.276 0 1 HKAF CC1=C[C@]2(C[C@@H](c3ccccc3)C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587816717 BZUJGEXPZSCXNB-FXCLAUTBSA-N 400.335 5.842 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ccccc3)n2)N1 587854359 TUBQZVPRXCIZMM-ZMZPIMSZSA-N 403.320 5.335 0 1 HKAF Cc1cc2c(cc1C)[C@@]1(CCS2)N[C@H](C)Cc2ccc(F)c(Br)c21 587857968 NPPGACXZEYPSAL-ZUOKHONESA-N 406.364 5.479 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncc(C(F)(F)F)cc1C 587865417 YZNYWXIWKDYVOV-UHFFFAOYSA-N 415.337 5.679 0 1 HKAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(Br)c(C)c4[nH]3)c2)c1 587933856 XGZKTELNNYMKHN-UHFFFAOYSA-N 409.283 5.682 0 1 HKAF Fc1ccc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c(OC(F)(F)F)c1 962697877 IGLAJTMAGQHSCP-YJYMSZOUSA-N 415.427 5.316 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@]2(CCc1cccc(Br)c1)C1CC1 963105457 MGCPNQJOEHZSOJ-FYYLOGMGSA-N 414.362 5.847 0 1 HKAF CC1(C)C2=C[C@@]3(CC(C)(C)[C@]24CC[C@H]1C4)N[C@H](C(=O)O)Cc1c3cnc2ccccc12 963237777 UJNTZEZGUXZYIF-DBLDKSFRSA-N 416.565 5.212 0 1 HKAF CSc1ccc([C@]2(CCc3c(C)cccc3C)NCCc3ccc(O)cc32)cc1 963351665 HYYANHMLIWWLJM-SANMLTNESA-N 403.591 5.753 0 1 HKAF Oc1ccc(-c2nc(-c3ccco3)c(-c3ccnc4[nH]c(-c5ccccc5)cc34)[nH]2)cc1 1772594355 XBXBVUDIXWJZJI-UHFFFAOYSA-N 418.456 6.253 0 1 HKAF CCCCCCC(=O)Oc1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12 1857548357 MILIDNXUOOYGSM-UHFFFAOYSA-N 401.428 6.796 0 1 HKAF Clc1cc(Cl)cc(Cn2cc(CSc3nc4ccccc4s3)nn2)c1 1857574138 ZCYICGGHBQPTQB-UHFFFAOYSA-N 407.351 5.535 0 1 HKAF Clc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccccc2)cc1Cl 1857609719 SSDAREKBNWSBBZ-XMMPIXPASA-N 407.344 6.622 0 1 HKAF COc1cc(N[C@@H](C)CCCNC(=O)/C(C)=C/c2ccccc2)c2ncccc2c1 1857632458 UQWCYNBKLFYYDR-DGDHUYAWSA-N 403.526 5.044 0 1 HKAF CC[C@@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4CCCC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356285661 DYMJMYRIBWWKMH-WHCFXQLVSA-N 414.718 8.025 0 1 HKAF O=C(O)C=C[C@@H]1[C@H]2C=C[C@H]3[C@H]1C[C@@H]1[C@@H](CCCCCc4ccc5c(c4)OCO5)[C@H]2[C@H]31 2356346081 JEVKBOABRNPNLG-PBNVSTPGSA-N 406.522 5.089 0 1 HKAF COc1cc(CCC(=O)CC(=O)CCC[C@H]2C=Cc3c(O)cccc3CC2)ccc1O 2356350070 ULHYWYBEDKFDRM-GOSISDBHSA-N 422.521 5.013 0 1 HKAF CC(C)[C@@]1(C[C@@H](C)[C@@H]2CC[C@@H]3C4=CC[C@@H]5C[C@H](N)CC=C5CC4=CC[C@@]32C)C=NCC1 2356399926 KQZKJUXZBIWAKG-DVSSKECDSA-N 420.685 6.876 0 1 HKAF CC1CCC2(CC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 2356455511 XFPSVMNKBLSWJA-MJUSCYTRSA-N 412.658 6.520 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@@H](O)C[C@@H]1CC3)C(C)C 2356512806 FQJAPGMYXUZOEN-YUJCWPLVSA-N 412.702 7.945 0 1 HKAF C[C@H](C1=NC[C@H](C)CC1)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356548761 DWWGVLXWLZBQTA-PPFFIBCVSA-N 413.646 5.404 0 1 HKAF COc1cc(OC)c2c(-c3cccc(/C=C/c4ccc(F)cc4)c3)cc(=O)oc2c1 13813942 YIOIOVSPFCJEFK-VOTSOKGWSA-N 402.421 5.787 0 3 HKAF aggregator O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 61903308 URYVWVBYUQILFT-GOSISDBHSA-N 418.802 5.363 0 3 HKAF O=C(NCc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1ccc(F)cc1Cl 2480185 WYRAGYUQFCRUFW-UHFFFAOYSA-N 424.834 5.870 0 1 HKAF CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc3c(c1)C=CC(C)(C)O3)O2 13411940 KIUWIMKWIXAROQ-NRFANRHFSA-N 406.478 5.497 0 1 HKAF biogenic CSc1nc(-c2ccnc(N[C@@H](C)c3ccccc3)c2)c(-c2ccc(F)cc2)n1C 13524495 LGTNIMDKAPAENR-INIZCTEOSA-N 418.541 6.183 0 1 HKAF COCCN(CCOC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)cccc12 13553460 ZJOLQNGRAXKVOK-UHFFFAOYSA-N 419.352 5.616 0 1 HKAF COc1cc(C[C@@H]2C(C)(C)CC(C)=CC23CC3)c(OC(C)=O)cc1Br 13755712 PMLKFXMDGNDNEI-LJQANCHMSA-N 407.348 5.698 0 1 HKAF CCO[P@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCOC1=O 26280723 AMXIVYJIQFAWRM-AREMUKBSSA-N 402.412 5.145 0 1 HKAF CCN1CCC[C@H](Nc2nc(Nc3ccc(Cl)c(Cl)c3)c3ccccc3n2)C1 29203529 ODCAOWJVFJDKSY-HNNXBMFYSA-N 416.356 5.576 0 1 HKAF CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3)C(C)C 34175672 FQJAPGMYXUZOEN-IAJMQBSWSA-N 412.702 7.945 0 1 HKAF CNc1nccc(-c2ccc(C(=O)NC[C@@H](C)c3ccc(Cl)cc3Cl)s2)n1 36144162 GQFRZDWMXNWNJD-LLVKDONJSA-N 421.353 5.087 0 1 HKAF COc1ccc(Cc2cc3cc(OC)ccc3cc2-c2cncc3ccccc23)cc1 40952957 PJPQHGIQKGIZJJ-UHFFFAOYSA-N 405.497 6.663 0 1 HKAF CC[C@@H](Nc1cc(-c2[nH]c(SC)nc2-c2ccc(F)cc2)ccn1)c1ccccc1 40972311 UDJBRVAZYVZVMH-HXUWFJFHSA-N 418.541 6.563 0 1 HKAF CCCC[C@@H](Sc1ccc(OCCCOc2ccccc2C(C)C)cc1)C(=O)O 43014787 ITNPHPQZKZCHCC-HSZRJFAPSA-N 416.583 6.393 0 1 HKAF COc1ccc(S(=O)(=O)Nc2scc(C)c2-c2nc3ccccc3s2)cc1 43120394 UDZRKYJBCBRYNW-UHFFFAOYSA-N 416.549 5.143 0 1 HKAF FC(F)(F)c1cccc(-c2c[nH]c(-c3cccc(CN4CCSCC4)c3)n2)c1 66252497 KEQOMVWBHSTLIQ-UHFFFAOYSA-N 403.473 5.311 0 1 HKAF O[C@@H](CNCCc1ccccc1)CN1c2ccccc2Sc2ccc(Cl)cc21 73225048 RGNGAHRYCKRXAC-IBGZPJMESA-N 410.970 5.136 0 1 HKAF CC[C@@H](C)Cn1c(C2CC2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 82179050 VIGLXSGBPYCRQX-CYBMUJFWSA-N 403.452 5.381 0 1 HKAF Cc1c(NC(=O)c2ccc(OCC(C)C)cc2)ccc2cc(CN3CCCC3)cnc12 84687484 ZLLKIIUCLYZWHE-UHFFFAOYSA-N 417.553 5.426 0 1 HKAF Clc1cc(NCc2ccccn2)c2[nH]c3cnc(NCc4ccccc4)cc3c2c1 95555898 QOUQLMYSMFZKGJ-UHFFFAOYSA-N 413.912 5.989 0 1 HKAF COc1cc(Nc2cccc3oc(-c4ccc(F)cc4)nc23)ccc1-n1cnc(C)c1 95571655 IORHEWUNLZVUCN-UHFFFAOYSA-N 414.440 5.880 0 1 HKAF CCN(CC)c1cc2[nH]c(C3CCCCC3)nc2cc1NC(=O)c1ccc(F)cc1 103255833 OOYXCDQBGFKGBQ-UHFFFAOYSA-N 408.521 5.848 0 1 HKAF O=C1S/C(=C\c2sc(N3CCCCC3)nc2Cl)C(=O)N1Cc1ccccc1 103285206 YXRWBRGLUNWOIG-PTNGSMBKSA-N 419.959 5.023 0 1 HKAF O=C(N[C@H]1CCc2ccc(O)cc2[C@@H]1Cc1ccc(Cl)cc1)OCc1ccccc1 140472579 VPUSKBZBCKVJSQ-ZEQRLZLVSA-N 421.924 5.613 0 1 HKAF Cc1cc(-c2ccc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)ccn1 142154843 AKDVDANZDBZQKJ-LAUBAEHRSA-N 417.513 5.001 0 1 HKAF CCCCNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 169710701 KQNFPNUSCNVXMO-IBGZPJMESA-N 408.523 5.532 0 1 HKAF O=C1C[C@H](c2cc3ccccc3nc2Cl)N(Cc2ccccc2)[C@H]2CCCC[C@H]2N1 299845721 TWFNPNJZIUVWSR-XPWALMASSA-N 419.956 5.263 0 1 HKAF CCCCOc1cc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2cc1Br 586883603 CNXSRDKQPBTDAJ-RDBSUJKOSA-N 403.320 5.143 0 1 HKAF CCCn1cnc2cc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)cc(Br)c21 587002581 BKGSSZSJVKSLRN-UHFFFAOYSA-N 424.129 6.059 0 1 HKAF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cccc(O)c4[nH]3)cs2)cc1 587014663 WHIJHVIVJGEHEO-UHFFFAOYSA-N 422.510 5.330 0 1 HKAF COc1nccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c12 587019322 XHSVZMOBTBXJNI-UHFFFAOYSA-N 419.337 5.723 0 1 HKAF Fc1c(Br)ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587073076 ASINGLTYGCTXSY-HNNXBMFYSA-N 408.702 5.455 0 1 HKAF Cc1cc(Br)cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 587080010 MNPXSWSGABSRSM-AWEZNQCLSA-N 403.711 5.011 0 1 HKAF Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1Br 587102833 ZHFVQRLTCGHPCC-UHFFFAOYSA-N 401.263 5.458 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](c1cccc(C(F)(F)F)c1)CC3 587104469 VYQBHDICWBUTPR-INIZCTEOSA-N 415.414 6.543 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc5c(c4[nH]3)CCCC5)cc2F)c1 587144463 ZHXKYOSMKWAHKR-UHFFFAOYSA-N 416.452 5.622 0 1 HKAF CCCOc1cc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2cc1Br 587175036 VOAJXISNPJJOHD-UHFFFAOYSA-N 422.685 6.055 0 1 HKAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cccc(Br)c3[nH]2)c1 587240606 LSSSQTRZVCIXEZ-UHFFFAOYSA-N 404.264 5.045 0 1 HKAF C[C@]1(CCc2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357677 NXOHFZJDRUCJLT-ILBGXUMGSA-N 420.436 5.010 0 1 HKAF COc1cccc(-c2c(Cc3ccc(OC)nc3C)cnc3c2oc2ccccc23)c1 587363869 PXWNSOTVTDBZRV-UHFFFAOYSA-N 410.473 5.959 0 1 HKAF Cc1cccc(COc2ccc(Cl)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587377404 HWLBOVCCPCNOPB-QHCPKHFHSA-N 407.897 5.825 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1-c1ccc(C(=O)O)c(Cl)c1)O2 587377805 ZKESFDKQEWIJQB-XMMPIXPASA-N 421.880 5.476 0 1 HKAF COCOc1cccc([C@]2(c3cccc(Cl)c3)CC(=O)c3cc(C)cc(N)c3O2)c1 587378432 OONNUXCRKQDZQY-XMMPIXPASA-N 423.896 5.122 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1c(F)cccc1Cl)O2 587382567 SIFSPXCHJZGBGI-QFIPXVFZSA-N 411.860 5.655 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3ccc(F)cc3)c3ccccc13)O2 587384590 NCUFUGMFNAFSFD-DEOSSOPVSA-N 400.453 5.426 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Oc4ccc(F)cc4)cc1Cl)[C@@H](C2)C3=O 587427931 KCDWEGXJWGJQEV-CYFREDJKSA-N 424.855 5.943 0 1 HKAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc5ccccc5c41)[C@@H](C2)C3=O 587446906 HVSSXQCWHVTQSF-RBISFHTESA-N 418.448 5.084 0 1 HKAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc5ccccc5cc41)[C@@H](C2)C3=O 587447235 OEFMLSYRPTUGHQ-FIPFOOKPSA-N 418.448 5.084 0 1 HKAF CCCc1c(O)ccc2c1OC1(CC2=O)CC(c2cccc(Br)c2)C1 587458351 SAZJPDUUOVUDFH-UHFFFAOYSA-N 401.300 5.389 0 1 HKAF COc1ccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 587599311 FAAZJLFKRCHEMH-SHQCIBLASA-N 424.452 5.771 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2cccc(Cl)c2)N1 587700090 LOYJNWMTVCPEAS-WYRIXSBYSA-N 410.714 5.264 0 1 HKAF CCc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587756977 UAAWBJSPHPRRIJ-JLCFBVMHSA-N 413.334 5.565 0 1 HKAF COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12 587811656 XAWVRMNUEZSZET-XMHCIUCPSA-N 414.318 5.548 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2)(C2CC2)N1 587815248 LFKOLQOUWGRVLN-ASSNKEHSSA-N 402.307 5.001 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)C3CCCC3)cc2)N1 587818521 IIAPNQCMTIQFKZ-ZSEKCTLFSA-N 416.334 5.585 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(CN3CCCCC3)cs2)N1 587845823 GBONJPBGXBFLMF-ZUOKHONESA-N 423.395 5.259 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccccc3)s2)N1 587846210 HGIVAPCMAYCMAG-LRTDBIEQSA-N 416.359 6.114 0 1 HKAF Cc1oc(-c2cccs2)nc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587851768 JJADWHADZVMQEH-XLFHBGCDSA-N 407.308 5.237 0 1 HKAF Cc1ccc(-c2csc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)cc1 587854225 QRDASCJJVYGSSQ-BUXKBTBVSA-N 417.347 5.644 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc2ccccc2c1 587863847 BGLGTTGQFSWESU-UHFFFAOYSA-N 410.395 5.809 0 1 HKAF COc1ccc(-c2ccc(-c3nc4nc(Br)ccc4[nH]3)cc2)cc1OC 587928508 HXCZJNLDQJMDDH-UHFFFAOYSA-N 410.271 5.072 0 1 HKAF COc1ccc(C2(c3nc4ccc(OCc5ccccc5)cc4[nH]3)CC3(CCC3)C2)cc1 587936213 UOGRRBGCMQMQCS-UHFFFAOYSA-N 424.544 6.401 0 1 HKAF CCOC(=O)CCCCCC[C@@]1(CC)NC2(CC2)Cc2ccc(Br)cc21 961614754 MAFRGKFNIACHAS-JOCHJYFZSA-N 422.407 5.636 0 1 HKAF Cc1cc2c(cc1F)[C@@H](c1c(C(F)(F)F)nn(-c3ccccc3)c1Cl)NCC2 962148106 QZZKNNUCTJMDQN-KRWDZBQOSA-N 409.814 5.227 0 1 HKAF Fc1ccc([C@]2(C3CCC3)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1F 962696868 GYPFSEKDYHRURA-UZUQRXQVSA-N 403.513 5.511 0 1 HKAF Cc1sc2c(c1C)CCN[C@]2(c1ccc(F)c(Cl)c1)c1ccccc1Cl 963011238 OQTGTAHHSCLHBT-OAQYLSRUSA-N 406.353 6.248 0 1 HKAF CCSc1ccc([C@@]2(c3ccc(C(C)(C)C)cc3)NCCc3c(C)ccnc32)cc1 963071029 ISFGPVYBLMOTJF-HHHXNRCGSA-N 416.634 6.237 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]2(c1ncco1)c1ccc(Cl)cc1Cl 963118368 ZGNKFVZWHIILRV-KKSFZXQISA-N 403.284 5.433 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCc1ccc(F)cc1)c1ccc(C)c(C)c1 963231375 QRQIYUXHODYWGH-IADCTJSHSA-N 415.596 6.976 0 1 HKAF O=C(O)CCCCC[C@]1(c2ccc(-c3ccccc3)cc2)NCCc2ccc(O)cc21 963354320 WEXNFIDNIWLTFX-HHHXNRCGSA-N 415.533 5.484 0 1 HKAF CC1(C)CCC=C1c1cccc([C@H]2CCc3ccc([C@@H](CC(=O)O)C4CC4)cc3O2)c1 1772578992 OBRPAINYPBSYAH-UKILVPOCSA-N 416.561 6.925 0 1 HKAF CC(C)c1ccc(-c2cc(CN3CC[Si](C)(C)CC3)nn2-c2ccc(F)cc2)cc1 1857602900 WJRRLFSXZLAKDB-UHFFFAOYSA-N 421.636 6.326 0 1 HKAF CCCCCCN1C(=O)C(O)=C(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccccc1 1857767330 ICCHEGZTQNSWKO-FQEVSTJZSA-N 403.444 6.138 0 1 HKAF Cc1cc(C)cc([C@@H]2CCCN2Cc2ccc(Oc3ccc4c(O)noc4c3)cc2)c1 1911575404 BRAMTCAKURNZGZ-DEOSSOPVSA-N 414.505 6.280 0 1 HKAF CC(=CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C[C@H]1CC3)C(C)C 2356517261 CHNFUJXCFBEAFX-KJIJCYEBSA-N 412.702 8.089 0 1 HKAF CC(=CC=C[C@]1(C)CCc2cc(C(=O)O)ccc2O1)CCC1=C(C)CCCC1(C)C 2356602766 LETDMCNTDMLJHX-HHHXNRCGSA-N 408.582 7.278 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=C[C@H](O)CC(C)=CCc1cc(O)cc(C)c1O 2356668628 WMKPZXIHMKNXKL-VWLOTQADSA-N 412.614 7.065 0 1 HKAF CC(=O)O[C@@H]1C=C2[C@@H]3CCC4=C(C(=O)OC4)[C@]3(C)CC[C@@H]2[C@]2(C)CCCC(C)(C)[C@@H]12 2356804760 UZMAAQCIFZIXAS-QTKNPEFWSA-N 412.570 5.370 0 1 HKAF CC=C(C)C[C@H](OC(=O)c1ccc(O)c(OC)c1)[C@@H]1C(C)(C)CC[C@]1(O)C(C)C 2356843303 NKLGGRDVPJYMFG-IMSXRSKXSA-N 404.547 5.106 0 1 HKAF COC(=O)c1ccc2nc(-c3cccc(Cl)c3)c(Cc3ccccc3OC)n2c1 72137827 RYHLQMBJIXMLGW-UHFFFAOYSA-N 406.869 5.041 0 3 HKAF CC(C)c1nc2ccccc2c(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1 1488611 IOTZDEROGUWISV-MCBHFWOFSA-N 405.469 5.244 0 1 HKAF CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215767 JWXIQYLENFIWIA-TZAMREQXSA-N 424.585 5.377 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1[C@@H](O)C3 13386954 CZXLHIZQQUJTND-YSEAIQEJSA-N 400.647 6.424 0 1 HKAF CC[C@@H](C)Oc1c(C(=O)N[C@@H]2CN3CCC2CC3)cc(Cl)cc1C1CCCCC1 13451290 SWXPKOBGSPXSSP-OPAMFIHVSA-N 419.009 5.389 0 1 HKAF CC[C@@]1(c2ccc(/C=C/c3ccccc3)cc2)Oc2ccccc2-n2cccc2C1=O 13675358 FONLVMGOYAAONO-ZJYVBTJHSA-N 405.497 6.528 0 1 HKAF O=C(Nc1ccc(Cc2ccccc2)cc1)Nc1ncccc1OCc1ccccc1 13680219 INMXMDIGNPBGLW-UHFFFAOYSA-N 409.489 5.895 0 1 HKAF CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(-c3ccc(Cl)cc3Cl)cc12 14945741 DYLMMULBPGBWNJ-UHFFFAOYSA-N 414.258 6.833 0 1 HKAF COc1ccc([C@H]2COc3c(ccc4c3C=C[C@@](C)(CCC=C(C)C)O4)C2)c(O)c1 15268990 RUYCHAPZLGACHW-NIYFSFCBSA-N 406.522 6.030 0 1 HKAF biogenic CC(C)(C)OC(=O)Oc1ccc(C(=O)c2ccc(OC(=O)OC(C)(C)C)cc2)cc1 26005339 YLHGKOYDEQPDAY-UHFFFAOYSA-N 414.454 5.545 0 1 HKAF O=C(O)C1(c2ccc3c(c2)C[C@H]([C@@H](c2ccccc2)C2CCCCC2)[C@H]3O)CCCC1 26390801 UZODBMBKQTXYDM-ZNZIZOMTSA-N 418.577 6.153 0 1 HKAF CC[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@H](O)c1cc(-c2ccccc2)nc2ccc(OC)cc12 26579174 VDHJBPQFAPAQBH-NQRRZUHGSA-N 402.538 5.064 0 1 HKAF Fc1cccc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 27547888 ZTQWBNHZWSYFKN-SVBPBHIXSA-N 401.525 5.637 0 1 HKAF CCCCOC(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1 28345017 VWYRAWWLALRDDA-UHFFFAOYSA-N 420.494 5.037 0 1 HKAF O=c1ccc2c(OCCCCOc3cccc4ccccc34)c3ccoc3cc2o1 34661012 KAMHWNGLDCSQDS-UHFFFAOYSA-N 400.430 5.930 0 1 HKAF O=C(O)C1CN(Cc2ccc(-c3cc4cc(C5CCCCC5)ccc4o3)c(F)c2)C1 43153515 QLDYLMILANVJHQ-UHFFFAOYSA-N 407.485 5.803 0 1 HKAF CC(C)NCc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 45187548 XJRNQHQILQUUCX-UHFFFAOYSA-N 409.455 6.414 0 1 HKAF O=C(NCC1CC1)C1CCN([C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 45194864 MYRCENKSOKDGMD-QFIPXVFZSA-N 417.380 5.321 0 1 HKAF Cc1cc(C(=O)NCc2ccc(-c3c(C)noc3C)cc2)n(-c2ccc(Cl)cc2)n1 45209948 TYJSMYJBBNMJAQ-UHFFFAOYSA-N 420.900 5.036 0 1 HKAF O=C1N(c2ccccc2)c2nc(-c3ccccc3)nc(N3CCCC3)c2[C@@H]2CCCN12 45256324 HKSOQEHRTYHNDC-FQEVSTJZSA-N 411.509 5.152 0 1 HKAF CCCc1nc2cc3ccccc3cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 58563836 FBEQJIXUAGEQMA-UHFFFAOYSA-N 420.512 6.556 0 1 HKAF CCOc1ccccc1[C@H]1N=NC(C2=C(O)c3ccccc3C2=O)=C[C@@H]1c1ccccc1 68582475 GBDSGADKSAPGLT-PXDATVDWSA-N 422.484 6.426 0 1 HKAF biogenic CC[C@@]12CCCN3CC[C@]4(c5ccc(OC)c(O)c5N(c5ccccc5)[C@@H]4CC1)[C@H]32 69482266 JTXSASOKPOYSFV-JLZPKONASA-N 404.554 5.217 0 1 HKAF biogenic,in-vitro CCCCCCN(CCCCCC)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1 72114356 JAGMQEAZRDESFR-UHFFFAOYSA-N 404.982 6.527 0 1 HKAF COc1ccc(Cc2cc([C@H]3[C@@H](c4ccc(C)cc4)C[C@@H]4CC[C@@H]3N4C)on2)cc1 101166527 YNBPFDTUMKTMGE-YUZJIJRXSA-N 402.538 5.316 0 1 HKAF COc1cc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)ccc1O 103934968 ULOVYQGZAULFDT-QYBDOPJKSA-N 412.489 6.030 0 1 HKAF O=C1CCC[C@@H](c2ccnn2-c2ccccc2)N1Cc1cccc(-c2ccccc2)c1 166843902 WRXUBKJYXPELAE-VWLOTQADSA-N 407.517 5.793 0 1 HKAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2ccccn2)c1F 167857652 SAVJPPGWHMJGIZ-OXQOHEQNSA-N 420.484 5.015 0 1 HKAF Oc1ccc2c(c1)-c1ccc(cc1O)CCc1ccc(O)c(c1)Oc1ccc(cc1)CC2 238733448 XANHWKSOXFKPRV-UHFFFAOYSA-N 424.496 6.147 0 1 HKAF CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]([C@]3(C)C=CC(=O)O3)CC[C@]21C 255271746 UNSQIEVGNLJREE-HUOCPXEISA-N 414.630 5.904 0 1 HKAF O=C(N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1)C(F)(F)F 261138259 MOINQXFCUHCNNN-SAABIXHNSA-N 422.491 5.240 0 1 HKAF COc1cccc2cc(-c3csc(NC(=S)Nc4ccc(C)cc4)n3)c(=O)oc12 261138743 MQXJCLXWPWURHQ-UHFFFAOYSA-N 423.519 5.042 0 1 HKAF CCCOc1cc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2cc1Br 586898713 LTSXPNQFMCCOSR-UHFFFAOYSA-N 423.310 6.154 0 1 HKAF FC(F)(F)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 586998418 JGJBUWCYAQWKCX-DAFODLJHSA-N 411.177 5.243 0 1 HKAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(Sc3ccccc3)cc2[nH]1 587066372 AYPSWZLZXFLECI-UHFFFAOYSA-N 424.909 5.768 0 1 HKAF CC(C)Oc1ccc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c2c1 587114197 QJLIDMOLORYBBQ-UHFFFAOYSA-N 423.460 5.241 0 1 HKAF FC(F)(F)c1nn(Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)c2c1CCCC2 587120100 QYKOGFAOHIOQSV-UHFFFAOYSA-N 412.415 5.498 0 1 HKAF CN(C)CCOc1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587126319 XJYKJYHXMQQNIF-YHYXMXQVSA-N 407.461 5.286 0 1 HKAF C[C@@H](c1nc2cc(Cl)c(Cl)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587130257 RFUAOPZXNNHMLL-BYPYZUCNSA-N 415.605 6.204 0 1 HKAF COc1ccc2c(c1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354441 UQRDRCQDEYSREN-ZCYQVOJMSA-N 404.437 5.131 0 1 HKAF CC(C)[C@@]1(c2cc3ccccc3o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357271 UCIHRAIWDSHHLN-AHWVRZQESA-N 416.448 6.188 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(OC)c(F)c2C3)c1 587361397 ZVOHRNWPFFMNGX-UHFFFAOYSA-N 411.432 6.376 0 1 HKAF COc1cccc(-c2cc([C@H](Cc3ccccc3)C(C)=O)nc3c2oc2ccccc23)c1 587366124 SCYPJGPTNLDVPF-HSZRJFAPSA-N 421.496 6.572 0 1 HKAF Cc1cc2c(cc1C)[C@]1(CCS2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587376958 ZFUAKTRCSKOVRJ-ZCYQVOJMSA-N 420.505 5.898 0 1 HKAF COc1ccc(OC)c(Sc2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587410489 NSFHNYGDARBRCH-OAQYLSRUSA-N 421.518 5.452 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)sc3ccc(Cl)cc13)O2 587411652 FHTRCZXLGUWZJQ-CQSZACIVSA-N 422.731 5.914 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(C(C)(C)C)[C@@H](C2)C3=O 587418347 PFBIRQHCIMEXEQ-KKSFZXQISA-N 401.300 5.147 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)[C@@H](C2)C3=O 587418860 DKROJJNIFUNBIY-YVEFUNNKSA-N 402.290 5.222 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(F)c(F)c3)cc1)CC2=O 587466273 KKXPPNMGUQBSCA-DEOSSOPVSA-N 424.443 5.908 0 1 HKAF C[C@@]1(c2ccc(OCc3cccc(F)c3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587504116 MRSITPWTOCPWEU-MHZLTWQESA-N 416.492 6.164 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587510450 GTUFMAWQPCZFIY-RLWLMLJZSA-N 419.521 5.396 0 1 HKAF COc1cccc(OCCn2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587511696 IELHZYDRMRWIPV-RUZDIDTESA-N 417.505 5.161 0 1 HKAF Cc1ccc([C@@H](O)[C@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587530892 WJSIYRDHRPFXOT-VSGBNLITSA-N 412.529 5.777 0 1 HKAF Cc1ccc(OCc2nc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cs2)cc1 587536300 UCHSJCTVBMZWEK-JOCHJYFZSA-N 405.519 5.616 0 1 HKAF CC1(C)Cc2ccc(Cl)cc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587552429 RNFBPZXLBFBUAG-YKSBVNFPSA-N 406.865 5.485 0 1 HKAF CCCOc1ccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 587587086 FNQSBTSYYZNQQE-DHLKQENFSA-N 415.445 5.365 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2cccs2)s1 587613104 NNHYOBWTAVSSQA-FXAWDEMLSA-N 407.472 5.280 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ccc(Cl)c2Cl)N1 587699845 XTJADAMFTRQHKZ-GYKQLYQFSA-N 423.540 6.172 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2)(C(F)(F)F)N1 587709064 HQZAEPWDXOQMTL-JDNHERCYSA-N 406.192 5.067 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(C(F)(F)F)N1 587710099 QLVCEUNZNOIBPZ-FVMDXXJSSA-N 422.647 5.582 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2F)N1 587719772 QOHMRHIFAKHGMM-ZKANADHPSA-N 417.091 5.113 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3F)s2)N1 587725128 BMMLHBFNLOZFDQ-GIPWTMENSA-N 420.322 6.079 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC2CCCCC2)(c2ncccn2)N1 587771756 CREPWJMKCGPQQK-SPLOXXLWSA-N 418.354 5.126 0 1 HKAF CCc1ccc(-c2cnc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 587772739 GPXABBTZWVNKRF-ODXCJYRJSA-N 415.306 5.429 0 1 HKAF CCC[C@@H](CC1(c2nc3ccc(OC)nc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782337 SLIUISOLWPTPGL-IBGZPJMESA-N 421.541 5.328 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)O[C@H](C)c2ccccc2)N1 587795579 QZNTWFQXIKMXFX-ZMOMAAQPSA-N 420.322 5.032 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(OCc3ccccc3)CC2)N1 587809678 JBNQKFIVHWNLBO-MFPRGYPFSA-N 418.350 5.477 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)Cc2ccccc2-3)N1 587817792 BBPBZODJRVALOE-ZAMGYDSWSA-N 408.314 5.783 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)s2)(C2CCC2)N1 587850522 ZLXIYPOIKKDJIF-XTZNXHDOSA-N 414.771 5.881 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cccc(OC(F)(F)F)c1 587861082 MLRDFLWGNVCLLX-UHFFFAOYSA-N 402.294 5.465 0 1 HKAF Fc1ccc([C@@]2(c3cccs3)NC3(CC3)Cc3ccc(Br)cc32)cc1 961614827 MCTJHDHWSQMIQO-OAQYLSRUSA-N 414.343 5.620 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H]1c2c(F)cccc2C[C@@H]2CCCN21 963090086 HTDSLNUQYCTHTP-XKCSPQBFSA-N 410.533 5.023 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCCCCCC(=O)O)c1cccc(F)c1 963230457 PLHAQAAPTKASHE-FQRUVTKNSA-N 411.561 6.151 0 1 HKAF COc1ccc(Nc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)cc1OC 1857617573 IPRPXGUGWOQLPI-UHFFFAOYSA-N 416.321 6.033 0 1 HKAF CC1=C[C@H](CN(CC2CC2)CC2CC2)[C@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 2356541034 DTEWDOZBJNXZKU-GVAUOCQISA-N 419.657 6.390 0 1 HKAF CC[C@@H](CCC[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356681172 JXICCPITYACVOP-TVPYMRHBSA-N 400.691 7.779 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCN1CCN(Cc2ccc3c(c2)OCO3)CC1 2356743456 DVJCPEWCHQLAEH-UHFFFAOYSA-N 424.629 5.952 0 1 HKAF COc1cc(O)cc(O)c1C(=O)[C@@H]1C[C@@H](c2ccccc2)C=C(C)[C@H]1CC=C(C)C 2356786303 ZUGJZDPPJGJZPY-KSEOMHKRSA-N 406.522 6.012 0 1 HKAF CC(=CCCC(C)=CCCc1ccoc1)CCC=C1CC[C@H]([C@@H](C)C(=O)O)OC1 2356805282 ZRECXISCDXJZIP-ZJSXRUAMSA-N 400.559 6.491 0 1 HKAF O=C(Nc1ccccc1)C1=C[C@H](c2csc3ccccc23)C[C@H](OCCCCO)O1 13634875 AEWMPIMTTHDBJJ-GAJHUEQPSA-N 423.534 5.043 0 3 HKAF Cc1oc(-c2cccs2)nc1CN1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 13636793 JNEKAGQHIPZQOT-ZCVJKFOLSA-N 408.567 5.364 0 3 HKAF O=C1[C@@H](n2ccc3ccccc32)c2ccccc2N1Cc1ccc(C(F)(F)F)cc1 206025531 RAVQIUKNXVCFQY-QFIPXVFZSA-N 406.407 5.796 0 3 HKAF CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F 4055540 SRCFPCRJEMXGOS-PKOBYXMFSA-N 409.288 5.141 0 1 HKAF CCCc1nc2c(Cl)ccnc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 26272717 XWMKQOHPRXGELP-UHFFFAOYSA-N 405.885 5.451 0 1 HKAF C[C@]12Cc3cn4c(nc3C[C@@H]1CC[C@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@H]12)nc1ccccc14 27200769 FXJBFSBELBAUFO-UQDZDKPRSA-N 413.565 5.409 0 1 HKAF Clc1ccc(-c2cc(-c3ccc(Br)cc3)c(-c3ccncc3)[nH]2)cc1 27731302 FVWMKILDWMMUDG-UHFFFAOYSA-N 409.714 6.827 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CCN[C@@]2(C)C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 27996155 KOIBTUBCPWGUOH-RSDYKODXSA-N 415.706 6.731 0 1 HKAF COc1ccc2c([C@@H](C)c3n[nH]c(Nc4ccc(Br)cc4)n3)cccc2c1 28654604 YDFHXXWICSDVBY-CYBMUJFWSA-N 423.314 5.624 0 1 HKAF O=[S@@](Cc1ccc(Cl)cc1)c1cc2nc(C3CCCCC3)[nH]c2cc1Cl 29047274 YOKLQOQVQYIXAR-AREMUKBSSA-N 407.366 6.225 0 1 HKAF Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1-c1ncccc1C(F)(F)F 38149582 LLZMWVORQDHWMG-UHFFFAOYSA-N 424.344 6.347 0 1 HKAF CCN(CC)Cc1cc(-c2ccccc2)n(Nc2ccnc3cc(Cl)ccc23)c1C 40954593 LKMNYDKTEBWIKR-UHFFFAOYSA-N 418.972 6.382 0 1 HKAF CC(C)c1ccc(C(=O)C[C@@H](C(=O)Nc2ccccc2)n2ccnc2)c(C(C)C)c1 45364021 OVCKKPHWMFYONV-QHCPKHFHSA-N 403.526 5.583 0 1 HKAF COc1ccc([C@H]2c3c(nc4c(c3N)CCCC4)Oc3ccc4ccccc4c32)cc1 71329247 GZKOZWKZCQCMFW-HSZRJFAPSA-N 408.501 5.990 0 1 HKAF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NCc3ccccc3)nc2-c2ccc(F)cc2)C1 82141044 OZPDWGYWQQSGBR-ROUUACIJSA-N 418.516 5.013 0 1 HKAF CCCCCn1c(-c2ccc(Cl)cc2)nc2c(NCc3ccccc3)ncnc21 82178287 CGGUFQPBZTUFFV-UHFFFAOYSA-N 405.933 5.949 0 1 HKAF CC[C@@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCC3CC3)ncnc21 82180075 ZRYVQJKJSUWULI-CYBMUJFWSA-N 419.451 5.260 0 1 HKAF CC[C@H](C)[C@H](Nc1nc(-c2ccc(C(C)C)cc2)cs1)C(=O)NCC(F)(F)F 82195939 GUBCKSRVVCWGNU-GUYCJALGSA-N 413.509 5.439 0 1 HKAF CCCN(CCC)c1cccc2nc(N(C)c3c(C)cc(C)cc3C)c(=O)n(C)c12 84757822 NXJKWIRNXUCNSF-UHFFFAOYSA-N 406.574 5.253 0 1 HKAF O=C(c1cnccc1Oc1ccccc1Cl)N1CCN(C2CC2)c2ccccc21 95574508 PGFKZJYQQKOPSQ-UHFFFAOYSA-N 405.885 5.157 0 1 HKAF CC(C)c1n[nH]c2c1[C@H](c1ccccc1N)N(c1ccc(-c3ccsc3)cc1)C2=O 96177089 SMGDZPVXWRFQIZ-QHCPKHFHSA-N 414.534 5.594 0 1 HKAF O=C(Nc1cccc(Br)c1)Nc1cc(C2CCC2)nn1-c1ccccc1 96273846 WMKOFHYQCJBOLA-UHFFFAOYSA-N 411.303 5.546 0 1 HKAF C(=C/c1ccc(OCc2ccccc2)cc1)\CCSc1nc2ccccc2s1 96938086 BOCYCBTYVDQSSL-SOFGYWHQSA-N 403.572 7.071 0 1 HKAF COc1ccc(-c2c(C)noc2[C@H]2[C@@H](c3ccc(C)cc3)C[C@@H]3CC[C@@H]2N3C)cc1 101166364 VXEYCCZPVLWMLA-APWUFGDNSA-N 402.538 5.701 0 1 HKAF CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2ccccc2)C2=C(O)CC(C)(C)CC2=N1 103872682 AWNCQPYHTRBSAL-QFIPXVFZSA-N 401.510 5.473 0 1 HKAF CCOc1ccccc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)Nc1ccccc1C 104700746 NZYYVFKODILZAM-DEOSSOPVSA-N 416.521 5.841 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 136941407 GRIGBNHMGSNLAY-NLEPHGOISA-N 410.730 9.198 0 1 HKAF O=C(Cc1ccc(Cl)c(Cl)c1)Nc1nc2ccc(C(F)(F)F)cc2s1 169309144 DQDNGISSIMQYGZ-UHFFFAOYSA-N 405.228 5.803 0 1 HKAF Cc1ccc(OCC(=O)O)c(F)c1NCc1cc(-c2cccc(F)c2)ccc1F 218894157 DCNBHWXXUZNZMN-UHFFFAOYSA-N 401.384 5.155 0 1 HKAF Cn1cc(-c2ccncc2)c(-c2ccc(OCc3cc(CF)c4ccccc4n3)cc2)n1 473145917 BVACTAKTUVQLNT-UHFFFAOYSA-N 424.479 5.746 0 1 HKAF CCc1ccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1Br 586978260 YOTOJLGFHGTVKC-UHFFFAOYSA-N 407.311 6.134 0 1 HKAF Cc1cc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c2cc1Cl 586981337 IJIDQJJYGSAGMO-UHFFFAOYSA-N 407.739 6.379 0 1 HKAF Clc1cncc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc12 586998513 LOZROMUEWWXXKR-VURMDHGXSA-N 400.663 5.804 0 1 HKAF Cc1cc2c(Br)ccc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c2o1 587003786 MTSYGDTWUNVLIG-UHFFFAOYSA-N 419.278 6.839 0 1 HKAF CCOC(=O)c1ccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2c1 587068035 WOOXNJDOXAVLSW-UHFFFAOYSA-N 406.869 5.219 0 1 HKAF Fc1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c(F)c1F 587068986 AQVZBGUGJFAHDK-VBKFSLOCSA-N 412.842 6.807 0 1 HKAF COc1cc(OC)c2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 587069619 LMHMGTHJISCOEU-RGEXLXHISA-N 418.924 6.407 0 1 HKAF Cc1ccc(-c2cc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c3cccc(Cl)c3n2)o1 587082710 CIYXKMLOTJNBFD-UHFFFAOYSA-N 413.786 6.417 0 1 HKAF Cc1ccc2c3c(cc(-c4nnn(Cc5ccccc5)c4C)nc13)-c1ccccc1C2=O 587096612 IKFIJIBRTBDIHP-UHFFFAOYSA-N 416.484 5.370 0 1 HKAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(Cl)nc2[nH]1 587121399 AYZLFDCULLHICQ-UHFFFAOYSA-N 410.808 5.609 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)cc2F)c1 587142757 BXWSRWNSQIYKBT-UHFFFAOYSA-N 422.674 6.400 0 1 HKAF Fc1ccc2c(c1)C[C@H](c1nc3cc(Br)cc(OC(F)(F)F)c3[nH]1)O2 587174958 UAOMJMQHFDMXPT-CYBMUJFWSA-N 417.156 5.039 0 1 HKAF CCCCCOc1cc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2cc1Br 587176840 VEMLQZWBYKRSQZ-UHFFFAOYSA-N 417.282 5.577 0 1 HKAF O=C1CCC(C2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)CC1 587351009 IVSUXQMZZROGER-WWQKDZJRSA-N 422.496 5.579 0 1 HKAF C[C@]1(c2ccccc2C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358882 YVKWMPFHVDWPAR-AZGAKELHSA-N 402.465 6.073 0 1 HKAF COc1cccc(-c2c(C)c(-c3ccc4c(c3)OCO4)nc3c2oc2ccccc23)c1 587365443 MFKHJYNPFXIREF-UHFFFAOYSA-N 409.441 6.361 0 1 HKAF COc1cccc(-c2cc([C@H](C)CCCCC(=O)O)nc3c2oc2ccccc23)c1 587367785 VSQZUSJXACPYNM-MRXNPFEDSA-N 403.478 6.405 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)O2 587381173 CPAYCJQWDJKIAY-NRFANRHFSA-N 413.395 6.095 0 1 HKAF C[C@H]1CCCCN1CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587517922 XERLFDRRRSKEAY-SIBVEZHUSA-N 419.565 5.525 0 1 HKAF O=C1C[C@](c2ccccc2)([C@H]2CCC[C@@H](C(=O)O)C2)Oc2c1ccc1c2CCCC1 587528910 GOONEGMAXMOJDS-FXABVQRQSA-N 404.506 5.317 0 1 HKAF Nc1nc2c(s1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C[C@@H](c1ccccc1)C2 587537942 LZNLZZBDCHNHFY-GKVSMKOHSA-N 416.546 5.195 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(C(F)(F)F)c1F 587550148 SXQHITGYZVTFEH-QRWLVFNGSA-N 422.305 5.392 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)c2cccnc12 587552842 SVNKWMARRDAXAG-AUSIDOKSSA-N 403.821 5.297 0 1 HKAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(C)(C)C 587590305 BOBVOGWFAAPRNB-XUZZJYLKSA-N 404.462 5.401 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccccc1 587594259 NREPOUFMEMBTHD-IGKIAQTJSA-N 424.452 5.674 0 1 HKAF C[C@@H]1C[C@H](c2ccccc2)C[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604134 ROLADEAPQTZMSV-GSBPPJQOSA-N 400.474 5.696 0 1 HKAF CCOC(=O)c1c(-c2ccc(Br)c(OC)c2F)[nH]c2cc(F)ccc12 587634356 VWFFQYAKZCDNGK-UHFFFAOYSA-N 410.214 5.061 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)c(Cl)cc2Cl)N1 587720072 MHZLDKXDEGVVRY-RBHXEPJQSA-N 421.112 5.832 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC=C(c3ccc(F)cc3)CC2)N1 587732859 KGCMWTUVZAUHNK-ZSEKCTLFSA-N 404.298 5.724 0 1 HKAF COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC(C)C 587793857 NVJWUPCWIBGQOR-CWTRNNRKSA-N 408.311 5.008 0 1 HKAF CC(C)=CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587801561 LSBFBQRYEOIFGC-LHSJRXKWSA-N 404.323 5.557 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)Cc2ccccc2-3)N1 587824625 XWWNONCIGMSKAV-JCQPUDPBSA-N 408.314 5.783 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1ccc(Cl)cc1 587855159 KJZFVQKCYCHALV-UHFFFAOYSA-N 409.700 5.792 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncc(Cl)cc1Cl 587863972 AJLJFVDQHMBDCW-UHFFFAOYSA-N 402.203 5.659 0 1 HKAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(Br)c(F)c4[nH]3)c2)c1 587930505 CVQFFAJYIQZUDQ-UHFFFAOYSA-N 413.246 5.513 0 1 HKAF CCOC(=O)CC[C@@]1(c2cc(C)ccc2C)c2cc(OC)ccc2CCN1C(C)C 962088300 FZWLTVVHJOWUGK-AREMUKBSSA-N 409.570 5.165 0 1 HKAF COc1cccc([C@@H]2c3ccsc3CCN2Cc2cccn2C)c1C(F)(F)F 962375037 QZEMYYDKEXRPTQ-FQEVSTJZSA-N 406.473 5.262 0 1 HKAF CCCCOc1ccc(Cl)c([C@@H]2c3cc(OC)c(OC)cc3C[C@H](C)N2C)c1F 962639165 VAUYJKAKKQAFEM-PSLXWICFSA-N 421.940 5.641 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@@]3(CCc1ccccc1C)c1ccccc1C 963057842 OYJBHYFBJLWNGK-LJAQVGFWSA-N 422.572 5.882 0 1 HKAF Cc1cc2occ([C@@H]3c4cccc(Br)c4CCN3C)c(=O)c2cc1Cl 963290746 YFHUVXCQIXYHLM-IBGZPJMESA-N 418.718 5.095 0 1 HKAF O=C(O)[C@H]1CC[C@@H](n2nc(Oc3c(Cl)cccc3Cl)c3ccccc32)CC1 1772574790 WKFBIVYONKPANM-BETUJISGSA-N 405.281 5.951 0 1 HKAF CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1cc(-c2ccc(F)cc2)nc2ccc(OC)cc12 1772621472 FBDKIDHZHWWMNH-JELLUYFXSA-N 420.528 5.203 0 1 HKAF S=C(Nc1ncccc1OCc1cccc(Cl)c1)Nc1cccc2ccccc12 1857746628 ODMMBUGIEODTCH-UHFFFAOYSA-N 419.937 6.276 0 1 HKAF C[C@H](CC(=O)O)CC(=O)n1c(CCCCc2ccccc2)cc2ccc(Cl)cc21 1857769300 GULSVZFBPMJAFN-KRWDZBQOSA-N 411.929 6.001 0 1 HKAF C[C@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1ccccc1)c1ccc2c(c1)CCC2 1911579505 INYNPERWFJZWOT-SFHVURJKSA-N 401.554 5.078 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)C=CC(C)C)CC[C@@H]32)C1 2356463198 SAWMHXICEQYKKZ-JWJRZTHOSA-N 414.674 7.425 0 1 HKAF CC(C)=CC=C[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@]35CC[C@]12C 2356498883 LOYCURYJAXOHHB-CZMOZJQASA-N 422.697 8.153 0 1 HKAF CCOC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356554511 QQQDIFUKWMHWBE-IWDAFKMFSA-N 404.635 5.986 0 1 HKAF C[C@H]([C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H]1NCOC[C@]14C)N(C)C 2356623499 WQJGXMIIUOPURY-VMGSXGEPSA-N 412.662 5.388 0 1 HKAF O[C@@H]1C=CC[C@](O)(CCCCCCCCCCCC=CCCCc2ccccc2)C1 2356695003 PWMTUNFJUOXOCX-VSGBNLITSA-N 412.658 7.299 0 1 HKAF O=C(Nc1cccc(C(F)(F)F)c1)O[C@H]1CCC12CCC(c1ccccc1)CC2 96019239 YERYMCHTKWDLPT-DHHCDUQHSA-N 403.444 6.761 0 3 HKAF O=C(Nc1ccc(OCc2cccs2)cc1C(=O)O)c1ccc(Cl)cc1Cl 12358143 RHNGSZQNJSTEEB-UHFFFAOYSA-N 422.289 5.584 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)OCOC(=O)C(C)(C)C)C(C)(C)CCC1 26745209 UYDKHJDCISKKDA-XUJYDZMUSA-N 414.586 6.608 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 33820985 XXGBPWONQCELLQ-QLSUIZBQSA-N 404.679 6.439 0 1 HKAF CP(C)(=O)c1ccc(Nc2ncnc3c2ncn3/C=C/c2ccccc2Cl)cc1 40390927 MZVPLRQASMAJIS-VAWYXSNFSA-N 423.844 5.099 0 1 HKAF CC(C)n1cnc2c(Nc3ccc(-c4ccccc4)cc3)nc(NC(C)(C)CO)nc21 40845729 MBFDPUQYZOTBPL-UHFFFAOYSA-N 416.529 5.001 0 1 HKAF CC(C)CC[C@H](O)[C@@](C)(O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 43119495 MPYAIDWTDSTPEU-PKRVHZIRSA-N 420.678 5.554 0 1 HKAF COc1ccccc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccccc1C 49808503 NBKZNTZINHCTDV-GPXNEJASSA-N 420.509 5.848 0 1 HKAF CCOc1ccccc1[C@H]1N=NC(C2=C(O)c3ccccc3C2=O)=C[C@H]1c1ccccc1 68582468 GBDSGADKSAPGLT-SQJMNOBHSA-N 422.484 6.426 0 1 HKAF biogenic C[C@H](O)c1ccc(-c2ccc(Cl)c(C(=O)NCCc3ccccc3Cl)c2)nc1 72179578 VNPDSQWOHMHZND-AWEZNQCLSA-N 415.320 5.081 0 1 HKAF O=C(N1CCCCC1)N1CC(O[C@@H](c2ccc(Cl)cc2)c2ccccc2Cl)C1 73275764 KOGILAIJMSNWDT-NRFANRHFSA-N 419.352 5.390 0 1 HKAF C/C=C/c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1 95587829 KKAOSLVZYZWJBY-ONEGZZNKSA-N 422.466 5.453 0 1 HKAF CC(C)CC(=O)Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 96173964 RBLQPRDBVXVEJC-UHFFFAOYSA-N 409.493 5.211 0 1 HKAF CC1=C(CC[C@](C)(O)/C=C/C/C(C)=C/CCC2=CC(=O)O[C@H]2O)C(C)(C)CCC1 96921461 GSUNQYAOGZKXEY-MYERXFPZSA-N 402.575 5.519 0 1 HKAF C[C@H]1CC[C@@H](NCc2ccc3c(c2)Cc2c(-c4ccc(C(=O)O)cc4)n[nH]c2-3)CC1 101107532 MEDLHZCDTXWLOC-SGNKCFNYSA-N 401.510 5.014 0 1 HKAF in-vivo COC1=C(C)C(=O)O/C1=C\[C@@H](C)CCC/C(C)=C\CC/C(C)=C/CCc1ccoc1 139871044 BIHGKHBYUFVWCB-PHKVDEHUSA-N 412.570 7.053 0 1 HKAF Cc1cc(C)c(-c2nc(C(C)C)[nH]c2C)cc1C(=O)N1CC(c2ccc(C#N)cc2)C1 218977459 CITGLSURWYHZFZ-UHFFFAOYSA-N 412.537 5.237 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]45C[C@@H](O)CC[C@]4(C5)C3=CC[C@]12C)C(C)C 255260637 QECYIHDHCKWWPU-SOFLZHGTSA-N 424.713 7.945 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O 261496195 HHVQPBXBALLUDF-AGXMIPIYSA-N 418.662 5.618 0 1 HKAF endogenous,in-man CN(Cc1ccc(Cl)c(Cl)c1)C1CCN(Cc2cnc(Cl)s2)CC1 299865814 UPFXYVVPTDSEQH-UHFFFAOYSA-N 404.794 5.200 0 1 HKAF CSc1sc(-c2nc3cccc(C)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586919560 AOGXEZNHLBTAJD-UHFFFAOYSA-N 400.978 5.157 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3cnc4ccccc4c3[nH]2)C[C@@H]2CCCC[C@@H]21 587027205 QNDCYPVCUYNZQL-NDXORKPFSA-N 416.550 5.248 0 1 HKAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)c2C1 587031312 DBJSVVICBJRTRH-UHFFFAOYSA-N 411.571 5.882 0 1 HKAF FC(F)(F)Oc1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Cl 587048602 ISJNLYQKZVFQAZ-HTQZYQBOSA-N 421.633 6.693 0 1 HKAF CCCOc1cc2nc(COc3ccc(Cl)c(CC)c3)[nH]c2cc1Br 587052722 JTMKXXBSXKSBEV-UHFFFAOYSA-N 423.738 5.909 0 1 HKAF Clc1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 587065128 ZPXOCFOFNCSVKD-UHFFFAOYSA-N 422.315 6.570 0 1 HKAF CCCCOc1cc2nc(-c3ccc(Cl)cc3NC)[nH]c2cc1Br 587066361 AWUOFJKRNLEOOU-UHFFFAOYSA-N 408.727 5.866 0 1 HKAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)n1 587079619 JLZZJYKUHPFGMC-SSDOTTSWSA-N 421.648 5.832 0 1 HKAF Cc1cc(Br)cnc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587102758 XPUYFYGWLOSKMD-UHFFFAOYSA-N 401.263 5.579 0 1 HKAF CCOC(=O)Cc1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1 587122960 PSIWLLZWBNBQIL-UHFFFAOYSA-N 424.444 5.001 0 1 HKAF CCCCOc1cc2nc(/C=C/c3ccc(F)cc3F)[nH]c2cc1Br 587148019 FAXZEUGTSVBVQW-FNORWQNLSA-N 407.258 5.953 0 1 HKAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccc(Br)c(O)c2[nH]1 587163156 LJRVJGYYBGOHAU-UHFFFAOYSA-N 411.230 5.068 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(-c4coc5cc(F)ccc45)[nH]c3c2)cc1 587175888 XQHDSYOOGSWITF-UHFFFAOYSA-N 402.381 5.694 0 1 HKAF Oc1ccc2c(-c3cc4c5c(cccc5n3)CC4)ccc(OCc3ccccc3)c2n1 587212214 MCGNILKISIEYLS-UHFFFAOYSA-N 404.469 5.833 0 1 HKAF Cc1cc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2cc1Cl 587230826 JJOZIHGDDHFYHQ-UHFFFAOYSA-N 420.900 5.414 0 1 HKAF Cc1ccc(NC2(c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)CCCC2)cc1 587236706 FUQLVDBXBUODFK-UHFFFAOYSA-N 423.460 5.046 0 1 HKAF O=C(c1ccc(Br)cc1C(F)(F)F)c1coc2ccc(Cl)cc12 587278765 SVSCGKVBQJFZBX-UHFFFAOYSA-N 403.581 6.099 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccc(F)cc4Cl)cc1)[C@@H](C2)C3=O 587429080 SCQPWHMVFMJBNL-CYFREDJKSA-N 424.855 5.555 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3c(Br)cccc3s1)CC2=O 587492705 BQGIDHMNSVBDJT-QGZVFWFLSA-N 417.324 6.028 0 1 HKAF CC(=O)c1sccc1-c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587532801 SRGRITOUFWBBPN-QHCPKHFHSA-N 402.515 6.203 0 1 HKAF CC[C@@H]1CN=C(Nc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)S1 587537649 JRTSVXQPRGGLKD-CLOONOSVSA-N 420.578 5.739 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(C(F)(F)F)ccc1F 587543302 BNKFOFNCCWBSOW-PXNSSMCTSA-N 404.315 5.253 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ccc(Cl)c1Cl 587543489 KOMQJIBMHAXTNX-UZLBHIALSA-N 421.663 6.055 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)ccc(Cl)c1Cl 587547064 SCZWVGWBMBNEGW-UZLBHIALSA-N 403.217 5.108 0 1 HKAF Oc1nc(O)c2ccc(-c3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc2n1 587559689 LEJPEPCFNMWACD-UHFFFAOYSA-N 421.456 5.349 0 1 HKAF CC(C)Cn1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccccc21 587575588 GANYFURJCUBIJE-XUZZJYLKSA-N 414.461 5.101 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3ccc(Br)cc3)c2c1 587640936 HBCBOMIOIFWGAC-LLVKDONJSA-N 406.270 6.613 0 1 HKAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1C(F)(F)F 587709969 DATZWRVRWZCZKJ-BBATYDOGSA-N 416.256 5.713 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nc3ccccc3n2C(F)F)N1 587715620 HZCOBLDEDZYONB-DGIBIBHMSA-N 424.264 5.131 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccn(-c3ccccc3F)c2)N1 587728463 SIVIAVRSYXCVKC-MPBGBICISA-N 403.270 5.142 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3cccc(F)c3)n2)N1 587733893 SSLVYRRKCNIXRS-MLCYQJTMSA-N 421.310 5.474 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccccc1C(F)(F)F 587865017 OSUUHOYKTYGEPY-UHFFFAOYSA-N 400.322 5.976 0 1 HKAF COc1cccc(C(=O)c2ccc(-c3nc4cc(OC(F)(F)F)ccc4[nH]3)cc2)c1 587930520 CWKKNNNBHJILGO-UHFFFAOYSA-N 412.367 5.368 0 1 HKAF Clc1ccccc1C[C@@]1([C@@H]2CCCS2)NCCc2cc(-c3ccccc3)ccc21 962669051 RPDHYLJCVFRDMD-IZZNHLLZSA-N 420.021 6.486 0 1 HKAF COC(=O)c1ccccc1-c1cccc([C@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)c1 963094687 CNMVJEDLAAAHIG-WXVAWEFUSA-N 415.508 5.563 0 1 HKAF O[C@H]1CN[C@H](COCCCCCCCC/C=C/c2ccc(-c3ccccc3)cc2)C1 1857536883 BKOYZCRYFAOVCE-IJORVYQCSA-N 407.598 5.837 0 1 HKAF O=C(Nc1ccccc1)c1ccccc1Nc1cccc(OCCc2ccccc2)c1 1857568484 HWZJFDGVCOUHFZ-UHFFFAOYSA-N 408.501 6.304 0 1 HKAF O[C@@H]1CN(C[C@@H](F)CCc2ccccc2)CCc2cc(OCc3ccccc3)ccc21 1857605098 ZIRKQVXERSGPJJ-RPLLCQBOSA-N 419.540 5.128 0 1 HKAF CC1(C)CC(C)(C)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2S1 1857605170 LMDWORABQHBSLT-UHFFFAOYSA-N 408.489 6.901 0 1 HKAF FCC[C@@H]1Cc2ccccc2C2(CCC(NC3CCc4ccccc4CC3)CC2)O1 1857636653 KGMAZVVKTTWYSV-JEUPEJDTSA-N 407.573 5.663 0 1 HKAF COc1ccc2c(c1)OCCC(c1ccc(O)cc1)=C2c1ccc(/C=C/C(=O)O)cc1 1857652487 VPBDEAVMXDLNCD-YIXHJXPBSA-N 414.457 5.240 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4[C@H](CCCC4(C)C)[C@@H]3C(=O)C[C@]12C 2356751170 MQKIXGKQVTWMES-UXTUPLDCSA-N 410.686 8.153 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1C(=O)CC[C@]2(C)[C@@H]1C[C@H](O)[C@@H]2[C@@H](C)C=CCC(C)C 2356807643 XYOWXSZBIWALDZ-KPQZPELPSA-N 412.614 5.854 0 1 HKAF CC[C@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(-c2ccccc2)cc1 2483443 ULQZAVAIVXCUTQ-UWJYYQICSA-N 420.553 5.443 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CC/C(C)=C/C[n+]1cn(C)c2c(N)ncnc21 13298348 NALGSOQQUZLOIK-OQSFTRQDSA-N 422.641 5.363 0 1 HKAF CC(C)=CCn1c2c(ccc1=O)[C@@H](NCCc1cc(Cl)cc(Cl)c1)CCC2 13743306 KUBUJASAOIYSFD-FQEVSTJZSA-N 405.369 5.331 0 1 HKAF CC1=C(/C=C\C2=CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)CC1 26478236 UVVWRMXOHIVZBN-CQTWEHOCSA-N 400.647 6.734 0 1 HKAF Clc1cccc(Nc2ncc(Br)c(Nc3ccc4[nH]cnc4c3)n2)c1 28520979 WBXVXWWZMMOSOQ-UHFFFAOYSA-N 415.682 5.256 0 1 HKAF FC(F)(F)Cc1nc2cc(Cl)c(Cl)cc2n1CCOc1ccc(Cl)cc1 28817755 PGXBPIRPLQBAJD-UHFFFAOYSA-N 423.649 6.180 0 1 HKAF O=C1NC(=O)c2c1c(-c1ccccc1-c1ccccc1)cc1[nH]c3ccc(O)cc3c21 34804021 ZGZKTZCGFRZSSF-UHFFFAOYSA-N 404.425 5.244 0 1 HKAF Cc1ccccc1NC1=Nc2ccccc2N[C@@]12C[C@@H]1CCN3C(=O)CCC[C@H](C2)[C@H]13 36383122 FSOROVPAHBJRNN-KUNMLRRUSA-N 414.553 5.112 0 1 HKAF Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(Br)c3)=N2)cc1 38448714 CTEPVWUWMFPIKA-UHFFFAOYSA-N 413.265 5.021 0 1 HKAF COC(=O)[C@H](Oc1cccc2c1CCC2)c1ccc(Oc2ccc(Cl)cc2)cc1 39242772 XZOZIRFKBKBPIB-HSZRJFAPSA-N 408.881 5.914 0 1 HKAF Cc1ccc2c(c1Br)N[C@@H]1[C@@H](Cc3cccc4ccccc34)NCC[C@H]21 40709503 UCLCHOONYIGMMV-SJBKTWHCSA-N 407.355 5.393 0 1 HKAF C[C@H](C(=O)OCCCc1ccccc1)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 40810821 CTGIXAGBIQLQDR-NYVOZVTQSA-N 422.590 6.061 0 1 HKAF COc1ccc(CCN(C)Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1OC 72103408 KCZZOENKLCUBQQ-UHFFFAOYSA-N 420.431 5.052 0 1 HKAF COc1cc2c3c(c1OCC1CCCCC1)-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4 72119673 RTPCUKYQCUOFSL-FQEVSTJZSA-N 421.537 5.135 0 1 HKAF CC1=Nc2ccc(Br)cc2[C@H](c2ccccc2)N1CCN1CCCCC1 72123028 UEFNTODLMJRKMJ-QFIPXVFZSA-N 412.375 5.390 0 1 HKAF COc1cc(-c2nnc(N[C@@H](C)c3ccc(F)cc3)s2)ccc1-n1cnc(C)c1 72178428 MDGNQMAYLSQIRS-AWEZNQCLSA-N 409.490 5.020 0 1 HKAF CC(C)(C)c1cc(-c2ccc(C(=S)N3CCCCC3)s2)cc(C(C)(C)C)[s+]1 84730834 UUUXEYBIJZXPKF-UHFFFAOYSA-N 418.717 7.514 0 1 HKAF COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cc(Cl)c(C)cc3F)ccc1O2 95579784 KKLOGTHCFUTDNH-QHCPKHFHSA-N 424.859 5.157 0 1 HKAF COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2-c2ccc(OC)cc2)cc1 95593877 ANZYRLOHGHLBTP-RMKNXTFCSA-N 406.478 5.567 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-c2ccccn2)c1 98176760 FUJVNLYASSNBHW-OAQYLSRUSA-N 402.494 5.020 0 1 HKAF Fc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1-c1nc2ncccc2o1 103259395 ABEAKBAWZBMPHO-UHFFFAOYSA-N 409.464 6.236 0 1 HKAF O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1nc2c(ccc3ccccc32)s1 103294892 HFHJBGJRWIEBSP-UHFFFAOYSA-N 411.486 6.886 0 1 HKAF O=C(OCc1ccccc1)/C(=C(\O)c1ccc(Cl)cc1Cl)c1ccccn1 103344754 SBZHUOPMQZMHSS-VXPUYCOJSA-N 400.261 5.558 0 1 HKAF CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc3ccccc23)C2=C(O)CCCC2=N1 104048228 HXCUSPJMDLZQJM-SANMLTNESA-N 423.512 6.391 0 1 HKAF O=C(NC[C@@H]1CN(c2ccc(C3CCCCC3)cc2)C(=O)O1)c1ccc(Cl)s1 113088322 WWOCGHITABMUNN-QGZVFWFLSA-N 418.946 5.204 0 1 HKAF CC1=C(C(C)C)[C@@H]1C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137593414 XMKPXGGZJIEBEJ-VGKIPUINSA-N 412.702 7.635 0 1 HKAF CC1(C)[C@@H]2CC[C@@]1(C)c1c2c(=O)n(-c2ccc(F)cc2F)n1CCc1ccccc1 142298862 VRBHXCAZZKFOKZ-CJAUYULYSA-N 408.492 5.335 0 1 HKAF Cc1ccc(N(Cc2ccccn2)C(=O)c2sc3ccccc3c2Cl)c(C)c1 144720637 WNMBDKUVYYOCHC-UHFFFAOYSA-N 406.938 6.414 0 1 HKAF CC(C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@]1(C)CCc2cc(O)c(F)cc2O1 169294548 JELMBHCKEXSVGQ-IPVFLDMMSA-N 422.625 7.291 0 1 HKAF CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc(C)o2)[C@@H]2C(=O)CC(C)(C)CC2=N1 169688121 WFJKPVCDYXVPPB-XZOQPEGZSA-N 404.510 5.353 0 1 HKAF CC1(C)CC(=O)[C@@H]2C(=Nc3ccc(Cl)cc3N[C@H]2c2c(F)cccc2Cl)C1 169722075 YMQXPCUHGBZEHJ-PMACEKPBSA-N 405.300 6.377 0 1 HKAF C/C=C(\C)[C@H](O)[C@@H](C)/C=C(C)/C=C/C[C@H](C)/C=C/c1oc(OC)c(CC)c(=O)c1C 195344311 RZWLIPXWCCRKLN-AENFPFBJSA-N 414.586 6.024 0 1 HKAF Cc1ncc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c(C)c1Br 586979595 RDEDONGOUUXJJN-UHFFFAOYSA-N 408.299 5.583 0 1 HKAF Cc1cc(Br)ccc1OCc1nc2ccc(OC(F)(F)F)cc2[nH]1 586981954 XMJQYYWQGOZOHC-UHFFFAOYSA-N 401.182 5.111 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC[C@H](NCc1ccccc1)C4)-c1ccccc1C2=O 586995363 GHIQHTQHJPGBSS-IBGZPJMESA-N 404.513 5.402 0 1 HKAF Cc1ncsc1-c1c[nH]cc1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 587027314 BGGFFFUVRSMVDH-UHFFFAOYSA-N 417.332 5.540 0 1 HKAF CCCCOc1cc2nc(-c3csc4c3CCOC4)[nH]c2cc1Br 587032363 UKISXPQWZUXCRA-UHFFFAOYSA-N 407.333 5.306 0 1 HKAF C[C@H]1CCc2sc(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)cc2C1 587033779 MQXGHQMLRSLYSR-QMMMGPOBSA-N 415.278 6.198 0 1 HKAF Clc1cccc(OCc2ccc(-c3nc4c(ccc5ncccc54)[nH]3)o2)c1Cl 587056419 OCWREWDJXHLKNF-UHFFFAOYSA-N 410.260 6.257 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@H]1C(C)(C)[C@H]3CC[C@@]1(C3)C(C)(C)C4)-c1ccccc1C2=O 587102206 ZGIMDLJAZDAAHO-MIBUDDTMSA-N 421.584 7.247 0 1 HKAF CC(C)(C)c1cccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587110595 BZGIQYOUSPIQGJ-UHFFFAOYSA-N 414.393 6.683 0 1 HKAF FC(F)(F)Oc1cccc(CSCc2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 587125008 ZJULHMNNZWWXGF-UHFFFAOYSA-N 422.350 5.794 0 1 HKAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(Cl)c(F)cc4[nH]3)c(F)c2)c1 587139031 ZZEWMAHRUYNBLP-UHFFFAOYSA-N 402.759 5.666 0 1 HKAF C[C@@H](Oc1ccc(F)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587169163 UWCHFFHMWPKFMQ-MRVPVSSYSA-N 403.173 5.623 0 1 HKAF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl 587324887 ARFIGOMQGUFXQW-JTHBVZDNSA-N 412.844 5.468 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCOc3cc(Cl)ccc32)[C@H]1c1ccc(F)cc1 587331287 PHMCTQVUBPKPRO-GMAHTHKFSA-N 410.828 5.222 0 1 HKAF COc1cccc(-c2cc(-c3c(C)nc(C)nc3S)nc3c2oc2ccccc23)c1 587364742 GXXDQZRHURIFHB-UHFFFAOYSA-N 413.502 6.019 0 1 HKAF COc1cccc(-c2cc([C@@H]3Cc4ccccc4C(=O)O3)nc3c2oc2ccccc23)c1 587366716 QCNJNXRBYZTKJE-DEOSSOPVSA-N 421.452 6.111 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3ccc(Cl)cc3Cl)o1)O2 587373498 DOTRXEVKNURAHH-HXUWFJFHSA-N 418.276 5.763 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1ccccc1C(F)(F)F)[C@@H](C2)C3=O 587421190 ODCWUZNDALFOMK-MBSDFSHPSA-N 410.391 5.870 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](C2)C3=O 587421816 RSAGCVYHFUMIDC-SUMWQHHRSA-N 402.290 5.222 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCc4ccccc4C)c1)[C@@H](C2)C3=O 587441398 FGNOXMPBNSHXBH-RXFWQSSRSA-N 416.473 5.080 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCC)(c1ccc(OC(F)(F)F)cc1)CC2=O 587464431 QBKIREWNUPVPBW-NRFANRHFSA-N 408.416 5.904 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc3c(cc1C)C(C)(C)[C@H](C)C3(C)C)CC2=O 587491273 VMMKAELSMGSFOT-HPGBDJQBSA-N 420.593 6.739 0 1 HKAF C[C@@H](Oc1ccc(Cl)cc1Cl)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587503863 GZTLAGIQJFKTJI-MCMMXHMISA-N 405.321 6.064 0 1 HKAF O=C(CC(=O)Oc1c(-c2ccccc2)[nH]c2cc(F)ccc12)Nc1ccc(Cl)cc1 587633828 NNKYKURWAMUOBZ-UHFFFAOYSA-N 422.843 5.562 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](Cc2ccc(Cl)c(Cl)c2)N1 587691706 DBCFVPQHRCNVBC-PSLIRLAXSA-N 403.122 5.713 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OC(F)(F)F)ccc2F)N1 587723829 YFEULUGCVCGUSE-BCTVWOGZSA-N 422.191 5.250 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C2/N(C)c3ccccc3C2(C)C)N1 587768471 KFLZCAJXOYZIBX-KCSSBKLYSA-N 415.350 5.475 0 1 HKAF Brc1nccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587784107 LFINDESXCWOKPN-FLIBITNWSA-N 406.283 5.470 0 1 HKAF Brc1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2cn1 587784964 WSMTWDMYSYTCSU-FLIBITNWSA-N 406.283 5.470 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC3CCCC3)c2)N1 587810821 MFJRHIKYIVWMPM-LRTDBIEQSA-N 404.323 5.533 0 1 HKAF CC[C@]1(c2ccc(-c3ccccc3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813194 MZNICOAFJIYVDD-UPCLLVRISA-N 424.357 6.443 0 1 HKAF Cc1cccc([C@@H]2CC(=O)C[C@]3(C2)N[C@@H](C)Cc2ccc(F)c(Br)c23)c1 587817101 IIWRMSIMAUCTDA-ORHBMQHOSA-N 416.334 5.163 0 1 HKAF COc1ccc2oc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(C)c2c1 587828161 MPKPCBLMDRRUIA-WSVYEEACSA-N 418.306 5.449 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CSc2ccc(Cl)cc2)N1 587844224 KXDIEHFANMFDBE-ZMZPIMSZSA-N 414.771 5.783 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccs3)s2)N1 587848274 NDWWCLMCWOBODA-MGNBDDOMSA-N 408.361 6.002 0 1 HKAF Cc1cccc(-c2csc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)c1 587855273 UENVAWXBAIBHMV-HXPMCKFVSA-N 417.347 5.644 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc2c1 587955962 MQBCOMNWQSZQCC-KRWDZBQOSA-N 400.831 6.610 0 1 HKAF COc1ccc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)c(Cl)c1 653669373 WYNUQGLAIYDBRL-AWEZNQCLSA-N 423.896 5.408 0 1 HKAF C[C@H](c1ccc(-c2ccccc2)c(F)c1)c1nnc2n1N=C(c1ccccc1)CS2 653707165 MWQOBUXKRKWBBQ-MRXNPFEDSA-N 414.509 5.594 0 1 HKAF CC(C)[C@]1(c2cc(F)ccc2F)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962629357 JSTKADXHGJZSJD-WNCULLNHSA-N 418.531 5.611 0 1 HKAF Cc1onc(-c2c(Cl)cccc2Cl)c1[C@]1(C)NCCc2c1c(C(C)C)nn2C 962924142 VPYDJBJJVISLNN-NRFANRHFSA-N 419.356 5.223 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCCCCC(=O)OCC)c1ccc(C)cc1 963243573 SQCPUZAIZAIHIZ-NEKDWFFYSA-N 421.625 6.409 0 1 HKAF COc1cccc([C@@]2(C[C@H]3CC[C@@H](C(=O)O)CC3)NCCc3cc(Cl)ccc32)c1 963391032 OVQKCVTUWGJWJG-XVTZWQNCSA-N 413.945 5.019 0 1 HKAF COc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@H]2[C@@H]1[C@H](OCc1ccccc1)CC21OCCO1 1857770448 FVLRNZBFAANZCY-QWDLEPIUSA-N 420.549 5.100 0 1 HKAF CC(C)CCC[C@H](CO)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356306188 GUHFIBWFGKGODV-GFYXKKFXSA-N 418.662 5.332 0 1 HKAF CC(C)=C[C@@H]1C[C@]23[C@H](CC[C@H](C)[C@]2(C)CC[C@](C)(O)[C@H]3Cc2c[nH]c3ccccc23)O1 2356447585 XHGDWOIUBXSXIP-BRSGFXEXSA-N 421.625 6.418 0 1 HKAF CC(C)[C@@H](C)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356494035 PRKPDIRLXGMLSU-GPSADROQSA-N 400.691 7.491 0 1 HKAF CC(C)[C@H]1[C@H](C)[C@H]1C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356528749 GOZWAAJAKSAXBZ-SWXHMPACSA-N 412.702 7.491 0 1 HKAF COc1cc(O)c(-c2ccc(OC)c3c(OC)cc(C)cc23)c2c1C(C)=N[C@H](C)C2 2356557172 CFBIKBQUHRRMOQ-CQSZACIVSA-N 405.494 5.300 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC=C[C@@H]2CC=C3C[C@H](O)CC[C@]3(C)[C@@H]2CC[C@H]1C)C(C)C 2356628211 KWSDAMSVPQVEBE-MFXUYRFGSA-N 414.718 8.191 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C=C[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC[C@@]12C)C(C)C 2356704581 ZFRLPKWDPDXIMP-LLANKUNGSA-N 410.686 7.577 0 1 HKAF C[C@@H]1CC[C@]2(C(=O)O)CC[C@@H]3C(=CC[C@@H]4[C@@H]3CC[C@@H]3[C@@H]4CC[C@H](O)C3(C)C)[C@@H]2[C@@H]1C 2356727975 VIJDACBFDIHGDH-AIPCIOAVSA-N 414.630 5.919 0 1 HKAF O=C(Nc1ccccc1)C1=C[C@@H](C2CCCCC2)C[C@@H](OCc2ccc(CO)cc2)O1 13634953 MPSIHTHUEGTEIM-RDGATRHJSA-N 421.537 5.161 0 3 HKAF C[C@]1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCN1Cc1ccccc1OC(F)F 61906819 JMVUXXPGZNHHRR-LJQANCHMSA-N 415.267 5.198 0 3 HKAF Cc1ccc(OCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 95565993 ATYKJUSZXWAJQY-UHFFFAOYSA-N 415.577 5.412 0 3 HKAF CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2OC(=O)CC)C1 1608582 FWAYUWSHYLKUEY-WPQCZMLFSA-N 404.591 5.673 0 1 HKAF biogenic O=C(Sc1ccccc1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21 13745299 YTMSKXUQTQVEAH-UHFFFAOYSA-N 415.478 5.032 0 1 HKAF Oc1cc(O)cc(CCCCCC/C=C\CCCCCCc2cc(O)cc(O)c2)c1 14773841 SVPVGQFYXVXBRQ-UPHRSURJSA-N 412.570 6.751 0 1 HKAF O=C(Nc1cccc2cnccc12)N[C@H](c1ccccc1)c1ccc(C(F)(F)F)cc1 14973643 GDMIQADOPFXIJS-JOCHJYFZSA-N 421.422 6.165 0 1 HKAF CCOc1ccc(C2=NN(Cc3ccccc3)C(=O)[C@H]3CCCC[C@H]23)cc1OCC 26569383 BGARLRUFQVBBEZ-SFTDATJTSA-N 406.526 5.037 0 1 HKAF CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3cc(C)ccc3n2)c1)C(=O)O 28092592 OBGPJXBAEABRDU-UHFFFAOYSA-N 420.509 5.342 0 1 HKAF COc1cc2c(cc1OC)-c1n[nH]c(NCc3c(Cl)cccc3Cl)c1CCC2 45253120 RIAKILITLYSECT-UHFFFAOYSA-N 418.324 5.502 0 1 HKAF c1ccc(CCN2C[C@H](CN3CCC(c4ccccc4)CC3)[C@@H](c3ccccc3)C2)cc1 53276281 HCZCYUMXCXUSEH-XZWHSSHBSA-N 424.632 5.824 0 1 HKAF O=C(O)C[C@@H]1COc2cc(OCc3cccc(-c4csc5ccccc45)c3)ccc21 59570109 BUMSVQQHHDPPGL-GOSISDBHSA-N 416.498 6.098 0 1 HKAF Cc1cccc(Nc2nc(-c3ccnc(-c4cn(Cc5ccccc5)nn4)c3)cs2)c1 72113748 YJIUZIKUKCHQCH-UHFFFAOYSA-N 424.533 5.564 0 1 HKAF COc1ccc(-c2cnc(-c3cnc(NCC4CC4)nc3-c3ccccc3)s2)cc1 82162685 USNZQGNPJGHHNX-UHFFFAOYSA-N 414.534 5.765 0 1 HKAF Cc1ccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3C)n2)cc1 82177656 SNWNCTMSFHKZGX-UHFFFAOYSA-N 422.557 6.649 0 1 HKAF O=C(CCCNc1nc(-c2cc3ccccc3o2)cs1)NCCc1ccccc1F 82195737 OQAZXFTYCKSNFB-UHFFFAOYSA-N 423.513 5.246 0 1 HKAF Cc1ccc([C@@H]2C[C@@H]3CC[C@@H]([C@H]2COC(c2ccccc2)c2ccccc2)N3C)cc1 100995338 PZCLLOMRKKUTII-LJWNLINESA-N 411.589 6.368 0 1 HKAF CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CCC3CC3)ccc21 145989662 WFHPTQLOIAKZQP-UHFFFAOYSA-N 423.516 6.329 0 1 HKAF CCCC[S@@](=O)c1sc2nc(-c3ccccc3)nc(-c3ccccc3)c2c1N 148059169 GCZFXDLEQAGNAQ-NDEPHWFRSA-N 407.564 5.515 0 1 HKAF c1ccc(CN[C@@H]2C3[C@H]4CCC[C@H]3CN(C4)[C@H]2C(c2ccccc2)c2ccccc2)cc1 195282594 FYFPUCQHJNRILA-QDXOBKQDSA-N 422.616 5.707 0 1 HKAF CN[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(=CC3=CC[C@]12C)CC[C@@H]1N(C)COC[C@]41C 238739136 CQGFNVQPOKZGIV-GWNUXBAZSA-N 412.662 5.388 0 1 HKAF C[C@H]1[C@@H](O)CC[C@@H]2[C@]3(C)CC[C@]4(C)C(=CC[C@@]5(C)CCC(C)(C)C[C@@H]45)[C@H]3CC[C@]12C 238749396 WUUFUVDVIXLTIU-OPTRICPOSA-N 412.702 7.779 0 1 HKAF COC(=O)[C@@H]1CC=C(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)C[C@H]1C(=O)OC 261138857 MRKGZZRVSSGZIK-XWVZOOPGSA-N 422.650 6.724 0 1 HKAF Cc1ccsc1C(=CCCN(C)[C@H]1CCCC[C@H]1C(=O)O)c1sccc1C 299870719 WVEAQTILSGURKS-MJGOQNOKSA-N 403.613 5.823 0 1 HKAF COc1cc(/C=C/c2nc3cc(Br)cc(C)c3[nH]2)ccc1Br 586976450 KUIUTIRGVHNFOB-GQCTYLIASA-N 422.120 5.575 0 1 HKAF CCCCCCc1c(-c2ccc(O)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990874 IDWGHNXEQVKTQF-UHFFFAOYSA-N 423.512 6.647 0 1 HKAF Cc1ccc2c3c(c(CC(=O)O)c(-c4cc(F)ccc4F)nc13)-c1ccccc1C2=O 586996086 PHBIWIGWTJMURQ-UHFFFAOYSA-N 415.395 5.327 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc2c1 587015972 LQOKDBAIIDWDPP-UHFFFAOYSA-N 414.239 6.679 0 1 HKAF CCCOc1cc2nc(-c3csc(-c4ccc(C)o4)n3)[nH]c2cc1Br 587017367 VICCAFNGXRPEDG-UHFFFAOYSA-N 418.316 5.806 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(OC(F)(F)F)cccc4[nH]3)c21 587030933 MQKKYLCXLLECAF-LBPRGKRZSA-N 417.456 6.421 0 1 HKAF Clc1ccccc1-c1nc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)co1 587060517 GQILHTJLJIJJMF-UHFFFAOYSA-N 401.853 6.117 0 1 HKAF COC(=O)c1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2n1 587071499 NLZKREIFQOHHJO-GHXNOFRVSA-N 419.868 5.147 0 1 HKAF COC(=O)c1ccnc2[nH]c(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)nc12 587083330 OWYXGSWCVWIXOJ-UHFFFAOYSA-N 418.840 5.182 0 1 HKAF Clc1nccnc1N1CCC(c2nc3ccc(Sc4ccccc4)cc3[nH]2)CC1 587084976 LRZCPNZNGBUGQD-UHFFFAOYSA-N 421.957 5.542 0 1 HKAF Cc1c(-c2ccc(C(F)(F)F)cc2F)nc2cccc3c2c1-c1ccccc1C3=O 587102636 CEZSDUNSMJJUBD-UHFFFAOYSA-N 407.366 6.580 0 1 HKAF FC(F)(F)c1ccc(Oc2ccc(-c3nc4nc(Cl)c(Cl)cc4[nH]3)cc2)cc1 587114188 QBZYZTVIAPXZEP-UHFFFAOYSA-N 424.209 6.743 0 1 HKAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc4ccccc4cc3[nH]2)c1 587155401 YHXBUDHSJJBLAS-UHFFFAOYSA-N 417.465 5.323 0 1 HKAF COC(=O)c1cc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2c(F)c1Nc1ccccc1 587161433 NXWYHRDPLYVDAS-IRXDYDNUSA-N 419.431 5.642 0 1 HKAF Fc1ccc(/C=C(\c2nc3cccc(OC(F)(F)F)c3[nH]2)c2cccs2)cc1 587164467 RLXAWAHEZXXJKM-KAMYIIQDSA-N 404.388 6.251 0 1 HKAF CC(C)Oc1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 587183876 KMNFPIWXPHEDNO-RMKNXTFCSA-N 404.251 5.125 0 1 HKAF Clc1cnc2[nH]c(/C=C/c3cccc(I)c3)nc2c1Cl 587183932 LQODWZXLHAMZDO-SNAWJCMRSA-N 416.049 5.040 0 1 HKAF CCOC(=O)c1ccc2nc(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)[nH]c2c1 587195420 HBSOFXOWMUWFBE-UHFFFAOYSA-N 409.486 5.086 0 1 HKAF CC(C)[C@H](C(=O)c1c(CO)oc2cc(Br)cnc12)c1ccc(Cl)cc1 587275959 HWGBWMJDDRRHDM-INIZCTEOSA-N 422.706 5.359 0 1 HKAF COc1cccc(Cl)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328452 UOYJZLPGHDGTRS-NZQKXSOJSA-N 412.844 5.468 0 1 HKAF CCC[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350017 WMIPVCSKNWLYPL-RSXGOPAZSA-N 415.464 6.067 0 1 HKAF Cc1ccc2c(c1C)OCCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355725 GLFORYKGFYMTLD-JYFHCDHNSA-N 418.464 5.575 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(C)cc4C)[nH]c4ccccc14)[C@@H](C2)C3=O 587438793 QYBOYCJYYQSTND-DCFHFQCYSA-N 409.485 5.949 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1ccc(Cl)cc1)(c1ccccn1)CC2=O 587462933 RNKNFDFMHNSZPI-DEOSSOPVSA-N 407.897 5.497 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)ccc1NC(=O)OC(C)(C)C)CC2=O 587466115 ISMKKHWVJLUNDO-HXUWFJFHSA-N 415.461 5.537 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](C(=O)OCC)C(C)C)CC2=O 587476727 AKURNRKMWLEQNE-WIOPSUGQSA-N 410.510 5.041 0 1 HKAF COc1cccc(COc2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587527950 ZUMKUNCDVIHGEJ-AREMUKBSSA-N 414.501 5.860 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1ccc(Cl)cc1)CC2 587553746 VPTFMPBEMIOSDJ-NRFANRHFSA-N 421.880 5.046 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)s1)C1CCC1 587613697 PSSDXLACQMSOOV-KNQAVFIVSA-N 412.894 5.764 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cccc2N2CCCC2)N1 587695805 SDSXGISFRPQENX-ODXCJYRJSA-N 423.757 5.465 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c(F)cccc2F)(C(F)(F)F)N1 587705773 MZWWUCYXSJWZMS-BCTVWOGZSA-N 424.182 5.207 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2)(C(F)(F)F)N1 587709065 HQZAEPWDXOQMTL-XXFAHNHDSA-N 406.192 5.067 0 1 HKAF Cc1cc(F)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587715505 HXRKTPHCDPWXHG-MLCYQJTMSA-N 400.694 5.487 0 1 HKAF CC(=O)c1cccc(CC[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F 587725994 HEECRGQOJLAMCS-WLRWDXFRSA-N 408.286 5.138 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3[nH]c4ccc(F)cc4c32)N1 587727030 BGCKZWZWMSFXHG-FIKIJFGZSA-N 417.297 5.323 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c2)cc1O 587787908 ZMOBUJHLWWBWSN-UHFFFAOYSA-N 400.356 5.510 0 1 HKAF CCc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)oc2ccccc12 587825905 BRXWMESFJVMQDV-QKVFXAPYSA-N 402.307 5.695 0 1 HKAF Cc1cccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)c1 587830405 SWNYZIZNJAFYNZ-ZSEKCTLFSA-N 400.291 5.780 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3cccs3)s2)N1 587854088 POWLGFYYJXEBSR-FVMDXXJSSA-N 409.349 5.397 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccc(F)cc2s1 587863891 DDBNCXKXICCWQI-UHFFFAOYSA-N 407.392 5.706 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncnc2ccc(F)cc12 587864285 JABOBKJXKJVKOO-UHFFFAOYSA-N 402.351 5.039 0 1 HKAF O=C(c1cccnc1SCCC(F)=C(F)F)n1nc2cc1Oc1ccc(F)cc1-2 587873929 LXRFLJOMTOECNT-UHFFFAOYSA-N 421.375 5.438 0 1 HKAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cccc(OCc5ccccc5)c4[nH]1)(C3)C2 587951391 UBVNSVUAZUUHMM-ADXLDGDMSA-N 416.521 5.295 0 1 HKAF CCCCCc1cc(O)cc(O)c1Oc1cc(O)cc(C(=O)CCCC)c1C(=O)O 1772654299 OREVXAGDMFXSEQ-UHFFFAOYSA-N 416.470 5.400 0 1 HKAF Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(-c2cc[nH]c2)c1 1857600018 VUWNVRDAIGOCQV-UHFFFAOYSA-N 420.507 5.196 0 1 HKAF CCN(Cc1ccccc1)C(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O 1857607838 IZYMPMAQDGZJDT-UHFFFAOYSA-N 414.914 5.821 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(C4(C)OCCO4)=CC[C@H]32)C1 1857624289 RKDVZUVKDIUZHM-FGOBHCRRSA-N 402.575 5.260 0 1 HKAF Nc1cc(-c2cccc(C(F)(F)F)c2)c(C(=O)c2cc(Cl)ccc2Cl)s1 1857769506 PVIVVVFHSXWXJB-UHFFFAOYSA-N 416.251 6.554 0 1 HKAF CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)NC1C2CC3CC(C2)CC1C3 1857772904 CYVHAOPTLCJJJL-UHFFFAOYSA-N 419.569 6.118 0 1 HKAF CC(C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4[C@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]3(C)CC[C@@]12C 2356357567 JSAWQLUFWWPQST-JBDAMHLZSA-N 412.702 7.635 0 1 HKAF CC(C)[C@]1(C)C[C@H]1C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356408475 GYEFHOQTNWOKKR-ZDTJGVSNSA-N 412.702 7.635 0 1 HKAF C[C@H]1C[C@H]2CCC[C@@H](CC3=C4CCCN[C@H]4C[C@H](C)C3)N2[C@@H](C[C@@H]2CCCCN2)C1 2356488605 UCTDBQQQSRQPNH-GZILYMKRSA-N 413.694 5.409 0 1 HKAF CC(C)[C@H](C)[C@@H]1C[C@H]1[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356704504 VYPDNFZRAJIGCV-KAJNIJSESA-N 414.718 7.571 0 1 HKAF C=CC(CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)=C(C)C 2356801116 RIXVWIRLMZEPNM-ZUZBAXIESA-N 412.702 7.945 0 1 HKAF CC(C)c1ccc(NC(=O)[C@]2(C)Cc3c(-c4ccc(N(C)C)cc4)ccnc3O2)cc1 61897759 HCGDYTBSMABZKC-SANMLTNESA-N 415.537 5.270 0 3 HKAF CCOc1ccc(Cl)cc1-c1cc(C(=O)Nc2ccc(Br)cc2)[nH]n1 61906326 MKGSTILLCLOYJO-UHFFFAOYSA-N 420.694 5.144 0 3 HKAF COc1cccc(NC(=O)N2Nc3ccc(OC)cc3[C@H]2CCc2ccccc2)c1 221405322 ACICHZPJTXGPCY-HSZRJFAPSA-N 403.482 5.252 0 3 HKAF O=C(c1ccc(F)cc1)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1 3814239 IYFAOWGKGUWALB-UHFFFAOYSA-N 416.540 5.775 0 1 HKAF Cc1nc2cnccc2n1CCCO[C@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)O1 11687520 MOKMUEQGGPEMDJ-WOJBJXKFSA-N 406.313 5.331 0 1 HKAF O[C@@H](CCN1CCN(c2cccc3ccccc23)CC1)c1csc2ccc(F)cc12 13491144 UBSRWNBGOMICGX-DEOSSOPVSA-N 420.553 5.439 0 1 HKAF Cc1cc(-c2cccc(OC(F)(F)F)c2)ccc1NC(=O)C1=C(C(=O)O)CCC1 13534150 ZPTLSMWIGSBANJ-UHFFFAOYSA-N 405.372 5.064 0 1 HKAF FC(F)(F)c1ccc(Nc2nnc(-c3ccncc3CCc3ccncc3)o2)cc1 14946594 HMLHYQQXLLJWBY-UHFFFAOYSA-N 411.387 5.074 0 1 HKAF CC(C)N(C(=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]21C)C(C)C 26385880 DXSCVNXGNJVZAB-UOQKLQBTSA-N 412.618 5.013 0 1 HKAF CCc1ccccc1-c1nc(C(=O)NC2CCCCC2)cn1-c1ccc(Cl)cc1 28702473 FUCXIEQGKITOIV-UHFFFAOYSA-N 407.945 5.818 0 1 HKAF in-vitro Clc1ccc([C@H]2CO[C@@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 28769179 WJFWSYABOJESIA-RTBURBONSA-N 409.700 5.484 0 1 HKAF CSc1sc(C(=N)N)cc1-c1nc(-c2ccc(Cl)cc2Cl)cs1 28771032 WHGZPVSQCGFYBQ-UHFFFAOYSA-N 400.381 5.851 0 1 HKAF Cc1c(C(C)(C)C)s/c(=N\C(=O)c2cc(C(F)(F)F)ccc2F)n1CC1CC1 28954360 FDQPKQBWLVQVKC-BWAHOGKJSA-N 414.468 5.465 0 1 HKAF O=c1c(Br)c(OCc2ccc(Cl)cc2)ccn1Cc1ccc(F)cc1 34323758 WLKDULJWQHUUCS-UHFFFAOYSA-N 422.681 5.031 0 1 HKAF C[S@](=O)c1ccc(-c2nc(-c3cccc4ccccc34)c(-c3ccncc3)[nH]2)cc1 38143312 IAOJVAYDEVIOKV-SSEXGKCCSA-N 409.514 5.696 0 1 HKAF CC(C)=C(c1ccncc1)c1ccc(-c2ccc(NC(=O)OC(C)(C)C)c(F)c2)cc1 53314720 PLEDFXGDSGERPS-UHFFFAOYSA-N 418.512 7.076 0 1 HKAF S=C1NC2=C(CN(Cc3ccccc3)C/C2=C\c2ccccc2)[C@@H](c2ccccc2)N1 71340464 CJFDYNWCUFKCPU-OWXSRONMSA-N 423.585 5.059 0 1 HKAF O=C(N[C@H](c1ccc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2cnccc2c1 72179889 IACORONISGFLON-NRFANRHFSA-N 414.336 5.012 0 1 HKAF C[C@@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(C[C@@H]3CCCCO3)C[C@H]12 73163514 RWRVBLQXKOJFGU-JHDROBOHSA-N 406.492 5.354 0 1 HKAF Cc1cc(NCCCCCCNc2ccnc3cc(Cl)ccc23)nc(Cl)n1 84741775 PKMRIYMQIKMQQX-UHFFFAOYSA-N 404.345 5.724 0 1 HKAF Cc1c(CC(=O)O)c(-c2ccccc2)nn1C(c1ccc(F)cc1)c1ccc(F)cc1 96270521 QVVXGKROCYKBKX-UHFFFAOYSA-N 418.443 5.402 0 1 HKAF Cc1c(OCCCCN2CCCC[C@H]2C)ccc2c(=O)cc(-c3ccccc3)oc12 96271256 YXQKMQFSGNZWHC-LJQANCHMSA-N 405.538 5.802 0 1 HKAF COC(=O)c1ccccc1OCCCCCCn1c2ccccc2c2ccc(O)cc21 96914728 YCLVGGBVXSZTIQ-UHFFFAOYSA-N 417.505 5.926 0 1 HKAF CC(C)[C@@H](N)CN1[C@@H]2CC[C@@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100847406 FJEFLHYWSUMBKN-AKFKNWHVSA-N 414.540 5.050 0 1 HKAF CC(=O)Cc1ccc(-c2n[nH]c3c2Cc2cc(CN[C@H]4CC[C@H](C)CC4)ccc2-3)cc1 101115302 VIVFMJXQMAQQKP-LBEPJEHYSA-N 413.565 5.448 0 1 HKAF COc1cccc2c1-c1ccc3c(c1[C@H]([C@@H]1C=CCCCC1)O2)C(C)=CC(C)(C)N3 101153998 ICPSJRDYGBVYFW-DWXRJYCRSA-N 401.550 7.150 0 1 HKAF Cc1cc(-c2ccc3nc(-c4ccc(C5(N)CCC5)cc4)c(-c4ccccc4)n3c2)[nH]n1 113656120 MNKWQDBCRJYVMM-UHFFFAOYSA-N 419.532 5.705 0 1 HKAF COc1cc(-c2cc3c(Nc4cc(O)ccc4Cl)ncnc3cc2OC)ccc1O 143101252 JKTUMOGNOXQHCW-UHFFFAOYSA-N 423.856 5.122 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCCC(=O)N1Cc1cccc(-c2cccnc2)c1 167764818 SGVBPEZWAYENNY-QFIPXVFZSA-N 416.521 5.410 0 1 HKAF CCCCNc1c(-c2ccc(OCCC)cc2)nc2ccc(Br)cn12 169326558 YOCVPSXSXCEBOX-UHFFFAOYSA-N 402.336 5.765 0 1 HKAF O=C(Nc1cccc2[nH]ncc12)N[C@H]1CCC[C@H](c2ccc(C(F)(F)F)cc2)C1 169704885 AVTYVUMSPWLWRY-HOCLYGCPSA-N 402.420 5.430 0 1 HKAF c1ccc(CN2[C@@H](c3ccccc3)C3=C(NO[C@@H]3c3ccccc3)[C@H]3CCCC[C@H]32)cc1 195440099 AXWBMVPUDJKFSZ-YDEMYLEWSA-N 422.572 6.333 0 1 HKAF C[C@@H](C(=O)Nc1ncccc1Cl)c1ccc(Nc2ccnc(C(F)(F)F)c2)cc1 213964382 USGMLVCELYJTDK-GFCCVEGCSA-N 420.822 5.635 0 1 HKAF CC(C)=CCc1cc(-c2coc3c(CC=C(C)C)c(O)cc(O)c3c2=O)cc(C)c1O 238736137 NOGFXYPYHWUYGZ-UHFFFAOYSA-N 420.505 5.903 0 1 HKAF Clc1ccc2c(NCCCNc3nccc(Nc4ccccc4)n3)ccnc2c1 299827402 GLVUGJGQWMNGON-UHFFFAOYSA-N 404.905 5.336 0 1 HKAF CCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Oc1cc(Cl)ccc1Cl 473086060 AGRRQFJSBYJXEA-UHFFFAOYSA-N 404.297 5.951 0 1 HKAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586964119 VDUKLXOHHFEJAY-LBPRGKRZSA-N 418.828 5.162 0 1 HKAF Cc1nc2ccc(O)c3c2c(c1Cc1ccc(OC(F)F)cc1)-c1ccccc1C3=O 586986897 QRIXWZRXKYVMQF-UHFFFAOYSA-N 417.411 5.652 0 1 HKAF CCc1c(-c2cccc(C(F)(F)F)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586993708 PTMJLIRFKLXSRO-UHFFFAOYSA-N 417.430 7.003 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(SCC(F)F)cc4)nc13)-c1ccccc1C2=O 586994685 BYZQDBXYQCKCKO-UHFFFAOYSA-N 417.480 6.779 0 1 HKAF FC(F)(F)Sc1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 587005574 LBLGJFRNBDATMN-UHFFFAOYSA-N 408.630 5.653 0 1 HKAF Cc1ccc2c(ccc3nc(-c4csc5c4CN(C(=O)OC(C)(C)C)CC5)[nH]c32)n1 587034957 QKZPPSJNKHGMJJ-UHFFFAOYSA-N 420.538 5.441 0 1 HKAF CCCOc1cc2nc(-c3cc(Cl)c(O)c(OC)c3)[nH]c2cc1Br 587046164 LNWFJEVCZBNLRV-UHFFFAOYSA-N 411.683 5.149 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4c(Br)ccnc4[nH]3)c2)c1 587048531 CDRWGJICXMFYKB-UHFFFAOYSA-N 412.674 5.520 0 1 HKAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(Cl)cc3[nH]2)c1 587048618 KLQAOGKVLZEHCQ-UHFFFAOYSA-N 419.312 5.180 0 1 HKAF COc1cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1C 587071846 SPYJGRHQGIUWPP-DHZHZOJOSA-N 404.897 6.283 0 1 HKAF CC(C)Oc1cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1Br 587079338 CSVIHQBWBXMERJ-QGZVFWFLSA-N 407.695 5.442 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c(Cl)ccnc2[nH]1 587083497 XBMAVDGNQPCHLY-VOTSOKGWSA-N 418.715 5.642 0 1 HKAF Clc1nc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)ccc1-c1ccccc1 587083843 OIVODXXDOOTVLQ-UHFFFAOYSA-N 411.892 6.524 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)Cc1nc2c(C)ccc4c2c(c1C3)-c1ccccc1C4=O 587097110 POXJAOJDZJMQMS-UHFFFAOYSA-N 400.481 6.039 0 1 HKAF Cc1ccc2c3c(c4c(nc13)C[C@@H]4Cc1ccc3c(c1)OCO3)-c1ccccc1C2=O 587102033 LIHAARJRPSGRQK-INIZCTEOSA-N 405.453 5.366 0 1 HKAF COc1cc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cc1Cl 587128861 DVICLPHQZWFMQT-RXMQYKEDSA-N 411.186 5.559 0 1 HKAF Fc1ccc(Oc2ccc(-c3nc4cc(Cl)ncc4[nH]3)cn2)c(Br)c1 587161581 XZOMXNHIUYQGAH-UHFFFAOYSA-N 419.641 5.367 0 1 HKAF Cc1cc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cc1Br 587226488 QRZFELNLJKRILP-INIZCTEOSA-N 408.340 5.390 0 1 HKAF CCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F 587329840 FOVXFNKKONUKRO-UPVQGACJSA-N 410.416 5.343 0 1 HKAF C[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348767 ATRYZINZOLQGHY-IXCJQBJRSA-N 424.471 6.473 0 1 HKAF COc1cccc(-c2cc([C@@H]3C[C@H]3c3ccc(F)cc3)nc3c2oc2ccccc23)c1 587360964 SARWEYBHXYIKDP-JTHBVZDNSA-N 409.460 7.067 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccc(F)c(C)c1)(c1ccccc1Cl)[C@@H](C2)C3=O 587424677 RXTHPXDPOZOUMM-MHECFPHRSA-N 408.856 5.487 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3ccc(F)cc3F)o1)CC2=O 587466113 JXJFNWGLKMVIRM-JOCHJYFZSA-N 414.404 5.501 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1sc(Nc3cccnc3)nc1C)CC2=O 587494332 LERSGKJLBYAOOW-QFIPXVFZSA-N 409.511 5.129 0 1 HKAF O=C1C[C@@H](c2ccc3c(c2)CCN3Cc2ccccc2)Oc2c1ccc1c2CCCC1 587513898 LSWSSYFOOBFWPB-MHZLTWQESA-N 409.529 5.835 0 1 HKAF Cc1cc(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN1CCC(C)CC1 587516143 YOHVXMCDBGBUNF-MHZLTWQESA-N 417.593 6.121 0 1 HKAF CCCC/C=C\CCCCCCCCC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527869 XBVIORLTMRKKIS-VRWDYKOXSA-N 410.642 8.157 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(F)c2)s1 587568173 DGGIWXAEAPSXMJ-XUZZJYLKSA-N 418.445 5.963 0 1 HKAF C[C@H](C[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1cn(C)c2ccccc12 587580411 XRGOOVNEFJHNBX-QQTNTEGQSA-N 413.473 5.408 0 1 HKAF CC(C)COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587593112 CIQKNAMVFIVHBT-DHLKQENFSA-N 404.462 5.304 0 1 HKAF CC(C)(C)Oc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587595869 PEESWQGMYRTDNU-PXDATVDWSA-N 404.462 5.447 0 1 HKAF CC(C)CCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602850 ZIFJPKBUSXQAJA-JYFHCDHNSA-N 402.490 6.076 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3F)c(CCC3OCC(C)(C)CO3)c2c1 587640386 CQENQOHKBMGIEA-QGZVFWFLSA-N 409.545 6.819 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)(F)F)cc2Cl)N1 587715185 WXBBLSKXJANWGB-BCTVWOGZSA-N 422.647 5.884 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccc(F)cc3)n2)N1 587735929 RUWQKVMUJDIOJM-QKVFXAPYSA-N 415.281 5.413 0 1 HKAF CCc1ccc(-c2cnc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 587772738 GPXABBTZWVNKRF-MPBGBICISA-N 415.306 5.429 0 1 HKAF CC(C)c1cc([C@@]2(C(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587823221 SSOITQDVSACTHT-JLCFBVMHSA-N 420.366 5.851 0 1 HKAF Cc1sc2ccccc2c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587851561 CIAKORJUVVOHDA-BIBXISHDSA-N 404.348 5.909 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1CCc1c[nH]c2ccccc12 587859226 HEBFXSCNGBPJIO-UHFFFAOYSA-N 400.309 5.980 0 1 HKAF COc1cccc(-c2cc(O)cc(-c3nc4cc(Br)cc(C)c4[nH]3)c2)c1 587933505 PXVQONQJUIGMOF-UHFFFAOYSA-N 409.283 5.682 0 1 HKAF CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1ccnc(Br)c1 587941355 SWWLGYAFGXFUPC-UHFFFAOYSA-N 401.304 5.109 0 1 HKAF CCCCOc1cc2nc(C(C)(C)c3ccccc3C)[nH]c2cc1Br 587955270 MHAJPOXSMCQXCE-UHFFFAOYSA-N 401.348 6.139 0 1 HKAF Cc1ccc(N2CCC(NC3CCN(C)CC3)CC2)cc1-c1[nH]c2ccccc2c1C 618010052 OTPLRDKDOWIDTG-UHFFFAOYSA-N 416.613 5.104 0 1 HKAF c1ccc(N2CCN3[C@H](Cc4ccccc4[C@@H]3c3cncc(-c4cccs4)c3)C2)cc1 962633826 GRKZTPHKWWDJGQ-SQHAQQRYSA-N 423.585 5.646 0 1 HKAF O=C(c1ccc(-c2cc(Cl)c(O)c(Cl)c2)s1)c1c(F)ccc(O)c1F 1772584449 NQBPRKUJPGFZQA-UHFFFAOYSA-N 401.217 5.642 0 1 HKAF CC(C)CCNC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1 1857550056 NHMOTCGHUFYINJ-UHFFFAOYSA-N 402.538 5.828 0 1 HKAF CC(=O)N(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)N(C)C)C1 2356337491 WDKKOVABYKVZIW-RDUIIINKSA-N 402.667 5.442 0 1 HKAF COC(=O)C(C)=CC=CC=C(C)C=CC=C(C)C=C[C@]1(O)C(C)(C)CCC[C@@]1(C)O 2356603595 GEKLHUINVVEIBY-FTJBHMTQSA-N 414.586 5.359 0 1 HKAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(CSc4ccccc4)nc3[C@@H](C)[C@@H]21 2356619567 KJMYEPALBFHMKS-HJQVCKNYSA-N 413.608 5.689 0 1 HKAF CC(C)=CCc1c(O)ccc2c3c(oc12)-c1cc2c(cc1OC3)OC(C)(C)[C@@H](O)C2 2356726086 WJBYNKMIPPAJRU-QFIPXVFZSA-N 406.478 5.281 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]1CC[C@H]1[C@@H]3C(=CC[C@H]21)C[C@H](O)C[C@@H]3C)C(C)C 2356776535 XOUKWBZXHQYSCY-BVFIOJESSA-N 400.691 7.491 0 1 HKAF CC(C)(C)c1ccc(CC(=O)N2CC[C@@]2(C)C(=O)Nc2cccc3ccccc23)cc1 61904315 ARNWKKBIQSMEEF-MHZLTWQESA-N 414.549 5.310 0 3 HKAF C[C@]1(Cc2ccc(C(F)(F)F)o2)C(=O)Nc2cc(-c3ccc(F)cc3F)ccc21 61927773 HRJAXEODHLKTNZ-HXUWFJFHSA-N 407.338 5.696 0 3 HKAF Cc1ccc(C)n1[C@@H]1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc21 206028693 BTPGHOLBRLNGQY-FQEVSTJZSA-N 418.846 5.913 0 3 HKAF O=C(c1cc2c(c3ccccc13)NC1(CCCCC1)N=C2C(F)(F)F)C(F)(F)F 1864301 BNEIHCFIMLEFNN-UHFFFAOYSA-N 414.349 6.022 0 1 HKAF CC(C)(C)c1ccc(CO[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 5881965 JZTUKWPZYXUZMX-OAQYLSRUSA-N 403.353 6.446 0 1 HKAF COC(=O)[C@](Nc1ccc(Cl)c(Cl)c1)(c1cc(C)c(O)c(C)c1)C(F)(F)F 8399331 BGTJILXSDGGMGI-QGZVFWFLSA-N 422.230 5.359 0 1 HKAF O=C(O)c1cccc(-c2ccc(NCc3cccc(S)c3)cc2-c2ccccc2)c1 13471859 SYWROPJVZQWGCH-UHFFFAOYSA-N 411.526 6.620 0 1 HKAF CCCN(CC1CC1)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12 13804967 MYECNMPFUKBTDY-UHFFFAOYSA-N 404.345 5.341 0 1 HKAF COc1ccc([C@H]2C[C@H](c3ccccc3)Oc3cc(OC)c(OC)c(OC)c32)cc1 13829983 CFGQWBDCZVBPFW-WOJBJXKFSA-N 406.478 5.377 0 1 HKAF c1ccc(-c2ccc(Nc3nnc(-c4cccnc4CCc4ccncc4)o3)cc2)cc1 14946609 GDJZHZRQVOQRIL-UHFFFAOYSA-N 419.488 5.722 0 1 HKAF CC1(C)[C@H]2C[C@H](C/C=C/CCCC(=O)O)[C@@H](NC(=O)c3ccc4ccccc4c3)[C@@H]1C2 26496175 FLYMUCSGKQVJQN-ATSZSSFDSA-N 419.565 5.822 0 1 HKAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NCc3ccc(C)cc3)c2)[nH]1 26967382 GVGLHMXYNVASQP-UHFFFAOYSA-N 404.514 5.920 0 1 HKAF C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2SCc1ccccc1 27983920 PIFNKFZPXSBBRA-MMPOFWMJSA-N 406.591 5.775 0 1 HKAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1ccccc1Cl)C(F)(F)F 28862316 KTOKJEZDHROXCU-IBGZPJMESA-N 404.831 5.692 0 1 HKAF CC(C)(C)Cn1cnc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccc(F)cc3)nc21 29131621 KUPDINCZOMGPIC-UHFFFAOYSA-N 405.521 5.971 0 1 HKAF CCCC(=O)O[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)cc21 29464893 MTCZSWRRMSDSEI-SFHVURJKSA-N 416.539 5.432 0 1 HKAF CC(C)c1cccc(C(C)C)c1N1CN(C(c2ccccc2)c2ccccc2)CC1=O 34803591 XWULTUKWDMRREL-UHFFFAOYSA-N 412.577 6.329 0 1 HKAF COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2ccc(C)cc2[nH]1)C(F)(F)F 38389261 JZFUUMIFIPVITG-JOCHJYFZSA-N 423.450 5.828 0 1 HKAF CCCCCC1=NN(C(=O)Nc2ccccc2C(F)(F)F)C[C@H]1c1ccccc1 58583403 DHKBUQJFWQNVSS-KRWDZBQOSA-N 403.448 6.273 0 1 HKAF Fc1cc(F)cc(CNc2cc(Oc3ccc4oc5ccccc5c4c3)ncn2)c1 82068267 HQPSGTKLDPOOSW-UHFFFAOYSA-N 403.388 6.059 0 1 HKAF O[C@H](c1ccc(Oc2ccccc2)cc1)c1nnc(Nc2ccccc2Cl)s1 82081774 IWRRCBOMVSFBPX-LJQANCHMSA-N 409.898 5.809 0 1 HKAF CCc1cnc(-c2cnc(NCC3CC3)nc2-c2ccc(-c3ccccc3)cc2)s1 82176488 IPBGOWFKKXNFCY-UHFFFAOYSA-N 412.562 6.318 0 1 HKAF CC[C@@H](CC[C@H](C)[C@@H]1CC[C@H]2C[C@@]34CC=C5CCCC[C@]5(C)[C@@H]3[C@H]4C[C@]21C)C(C)C 95486368 GAGAIBVZNQUTDY-YTZLKMFTSA-N 410.730 9.054 0 1 HKAF biogenic,in-vitro COc1cccc(-c2ncc(Cc3ccc(C(F)(F)F)cc3C(=O)O)cc2C)c1 96173348 IIHJXUADDXZDQJ-UHFFFAOYSA-N 401.384 5.373 0 1 HKAF CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(C)o2)C2=C(O)CCCC2=N1 104005601 RGCNSOSPGQXZNH-QHCPKHFHSA-N 407.466 5.018 0 1 HKAF COc1cc(N2CCOCC2)cc2c1ccn2-c1c(C)c(C)nc2ccc(Cl)cc12 118096259 KRWFNNPGKCSRQU-UHFFFAOYSA-N 421.928 5.294 0 1 HKAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)C1(c2ccccc2)CCCC1 197895138 ODHNZSZBDKFYCO-BVAGGSTKSA-N 403.566 5.345 0 1 HKAF CCCCCCN1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@@H](O)C[C@H]1c1ccccc1 198498113 VZAAKSNVIDZHKA-SDHOMARFSA-N 422.548 5.014 0 1 HKAF Cc1onc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)/C=C/c1ccccc1Br 224280732 XQUVCEVFTYPOHP-DHZHZOJOSA-N 413.227 5.217 0 1 HKAF Cc1ccc(/C=C2\CN(C)C[C@@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(C)cc2)cc1 253752487 LESIUXAPNLUCAI-UWTGIJBVSA-N 407.561 5.866 0 1 HKAF C[C@@H]1CO[C@H]2C[C@@](C)([C@H]3CC[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@@]6(C)[C@@H]5CC[C@@]43C)O[C@H]21 255263401 RTMWIZOXNKJHRE-CHKHYHSHSA-N 416.646 5.589 0 1 HKAF CC(C)=CCC/C(C)=C/CC[C@](C)(O)[C@H]1Cc2c(O)c(C=O)c(C)c(Cl)c2O1 299819166 AKZMNMUPGWZYPW-LNODMQEVSA-N 406.950 5.694 0 1 HKAF Fc1ccc(-c2ccc(CNCCNc3ccnc4cc(Cl)ccc34)s2)cc1 299860701 GZKUUQRZEMFLII-UHFFFAOYSA-N 411.933 5.958 0 1 HKAF OCCCCCCCCCCCc1nc2c(Br)cnc(Cl)c2[nH]1 586894832 WHADWHPHHBCFEX-UHFFFAOYSA-N 402.764 5.420 0 1 HKAF COc1cc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c2cc1F 586981273 GQXVLXBPDBDALO-UHFFFAOYSA-N 407.283 5.565 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc4c(c3[nH]2)CCCC4)C[C@H]2CCCC[C@@H]21 587024458 AHVCQELGNAXNPK-COPCDDAFSA-N 419.594 5.578 0 1 HKAF CC(C)(C)c1cccc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 587069758 FFYQRQJNSFIAJK-PJBOPHEDSA-N 413.392 7.533 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(C(N)=O)cc2[nH]1 587071380 KQOVUYGZOQMNLE-FOFINAFOSA-N 400.309 5.335 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(C(C)=O)cc4[nH]3)c(Cl)cc12 587077985 DLUSUBDGWPNGDD-ZDUSSCGKSA-N 424.884 5.618 0 1 HKAF COc1ccc(C(=O)c2ccccc2-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1F 587144984 UCDQHDSVZXETRU-UHFFFAOYSA-N 414.358 5.627 0 1 HKAF CCOC(=O)Cc1ccc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2c1 587246658 DXDNQMJEAJZUFN-UHFFFAOYSA-N 415.493 5.083 0 1 HKAF CC(C)Oc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587345415 FHZUNYVWURKWPJ-ZCYQVOJMSA-N 406.453 5.593 0 1 HKAF O=C1c2ccc(O)cc2OC2(CCN(C3CCCCC3)CC2)[C@H]1c1ccc(F)cc1 587350569 ZXQIRQWBOFRCRS-QHCPKHFHSA-N 409.501 5.058 0 1 HKAF COc1cccc(-c2cc(-c3cc(C(=O)O)ccc3O)nc3c2oc2ccccc23)c1 587366981 SQJHOOBPISNUEZ-UHFFFAOYSA-N 411.413 5.727 0 1 HKAF COCOc1cccc([C@@]2(c3ccccc3Cl)CC(=O)c3cc(C)cc(N)c3O2)c1 587376424 CGYQVXVDFMVDIM-XMMPIXPASA-N 423.896 5.122 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(C(C)(C)C)nn(-c4ccccc4)c1Cl)[C@@H](C2)C3=O 587418609 CJLXVWWCIYWEMQ-HRAATJIYSA-N 422.912 5.321 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc([C@@H](C)CC)cc1)CC2=O 587470862 MRQSCIKCCPOJFC-GKVSMKOHSA-N 403.522 6.355 0 1 HKAF O=C1C[C@H](c2ccc3cc(Br)ccc3n2)Oc2c1ccc1c2CCCC1 587496582 IUZFBCOHAZZTBB-OAQYLSRUSA-N 408.295 5.583 0 1 HKAF CC(C)c1ccc(C2(O)CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)cc1 587528655 DFDUVLFSMPLCPR-UHFFFAOYSA-N 404.550 5.855 0 1 HKAF Nc1c([C@]2(c3cccs3)CC(=O)c3ccc4c(c3O2)CCCC4)oc2ccccc12 587530332 FNGATTMHAXBLQQ-RUZDIDTESA-N 415.514 5.864 0 1 HKAF C[C@]1(C2CCC(C(F)(F)F)CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557222 QTTSPYHOKPQMLL-LDHZKBKPSA-N 406.400 5.481 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2ccc(F)cc2)n1 587569390 ILLDQDDGQPQUQM-WIOPSUGQSA-N 413.404 5.296 0 1 HKAF C[C@@H](CC(=O)O)c1c(-c2ccc(Br)cc2)[nH]c2cc(Cl)c(F)cc12 587628686 RXDRZHMIXLZIDI-VIFPVBQESA-N 410.670 5.968 0 1 HKAF O=C(c1cc2sccc2s1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662639 PGKSFSOEGFDLNI-UHFFFAOYSA-N 406.463 5.167 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCOc3ccc(Cl)cc32)N1 587694516 GZXCBKXBLPQGST-WLRWDXFRSA-N 410.714 5.192 0 1 HKAF Cc1cc(C)cc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587711702 YATZCJXHSZFFPU-SGTLLEGYSA-N 416.256 5.545 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(OC3CCC3)c2)N1 587722397 YQVJSEXTIXAPJC-YBTHPKLGSA-N 408.286 5.282 0 1 HKAF COc1ccccc1-n1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587753153 IDLOUFPEBJAXRL-LRTDBIEQSA-N 415.306 5.011 0 1 HKAF CCOc1ccc(C(C)C)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587802641 STTZRRVZQWXUBN-YEJXKQKISA-N 406.339 5.734 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2C(c2cccs2)(c2cccs2)N1 587850212 CVWKSKUOLVYXSI-LLVKDONJSA-N 408.361 5.537 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cscc2Br)N1 587851125 AJIFZJAYLMXMEV-GLEZIHRCSA-N 419.157 5.210 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CNc1ccccc1OC 587859300 VHIGZZYUUJBAMJ-UHFFFAOYSA-N 420.296 5.017 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2ccccc2)cs1 587869991 WYWHWJKSTSXEEC-UHFFFAOYSA-N 402.401 5.085 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(C(F)(F)F)nc2ccccc12 587870535 BSIHRSUFAUBFON-UHFFFAOYSA-N 402.351 5.039 0 1 HKAF CC(C)(C)C(=O)OCc1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923157 RSEGFSZHCJYZTO-UHFFFAOYSA-N 408.498 6.187 0 1 HKAF COc1cccc([C@H](C)Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 587929527 BMSBNOPYBWUFSJ-SNVBAGLBSA-N 413.237 5.699 0 1 HKAF COc1ccc(C2(c3nc4cc(Br)c(F)cc4[nH]3)CC3(CCC3)C2)cc1 587935438 KVIZWGKORGOAEH-UHFFFAOYSA-N 415.306 5.723 0 1 HKAF Clc1ccc(Oc2ccc(-c3noc(-c4n[nH]cc4Cl)n3)cc2)cc1Cl 653768339 CHTYDXBDJDQXTP-UHFFFAOYSA-N 407.644 5.879 0 1 HKAF Cc1cccc(-c2ccnc(C(=O)Nc3ccc(Oc4cc[nH]c5nccc4-5)cc3)c2)c1 653776568 OVOCUUCDMJTHPX-UHFFFAOYSA-N 420.472 5.930 0 1 HKAF COc1ccc2c(c1)[C@]1(C[C@H](c3ccccc3O)Oc3ccccc31)N(C(C)C)CC2 962093051 PCCGEOXVRLUJKO-KAYWLYCHSA-N 415.533 5.435 0 1 HKAF COc1cc2c(cc1OC)[C@](C[C@H](C)CC(C)(C)C)(c1ccccn1)N(C)[C@H](C)C2 962617850 CPBLDHHFDJGKGP-LJKQEARRSA-N 410.602 5.681 0 1 HKAF c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@@H]3c3cncc(-c4cccs4)c3)C2)cc1 962633803 GRKZTPHKWWDJGQ-IGKIAQTJSA-N 423.585 5.646 0 1 HKAF CSC(=C[C@@]1(c2cccnc2)NCCc2cc(-c3ccccc3)ccc21)SC 962676454 ZETOFWLSYPXWKD-DEOSSOPVSA-N 404.604 5.705 0 1 HKAF Fc1ccccc1[C@@]1(Cc2ccccc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962693796 DGSQJFAHYDEBEI-FQRUVTKNSA-N 421.556 5.815 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2C12C=C(c1ccccc1)SC(c1ccccc1)=C2 963226942 IVDHDNHZFRWNDJ-JOCHJYFZSA-N 423.625 7.368 0 1 HKAF CCCCOc1cc2c(cc1OC)CCN1Cc3[nH]c4ccc(OC)cc4c3C[C@H]21 1772592825 ZAHOPWJVSXXWCZ-HSZRJFAPSA-N 406.526 5.020 0 1 HKAF CCOC(=O)[C@@H]1CC=C(c2[nH]c3nccc4c3c2CN(C)c2ccc(F)cc2-4)CC1 1772616066 PXBTXDMYAXRVNR-OAHLLOKOSA-N 405.473 5.065 0 1 HKAF CC1(C)CC(C)(C)c2cc(NC(=S)Nc3ccc(C(F)(F)F)cc3)ccc2S1 1857558888 AASZUZSHWGUJEL-UHFFFAOYSA-N 424.557 7.066 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCCOCCO 1857568503 PARMRZYSMAQTDU-KUBAVDMBSA-N 416.602 6.016 0 1 HKAF CC(=O)OC1=C(c2cccc3cccnc23)Oc2cc3ccccc3cc2-n2cccc21 1857593604 RMAXNLFORASWSN-UHFFFAOYSA-N 418.452 5.960 0 1 HKAF CC(=O)OCC(C)=CCCC(C)=CCCC(C)=CCc1c(O)c2ccccc2oc1=O 2356459914 DGXYXHBBMGOEMA-UHFFFAOYSA-N 424.537 6.004 0 1 HKAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](OC(=O)C=C(C)C)[C@H](C)[C@]21C 2356620497 UYCYCVGKTVFCMC-BVBIJSAKSA-N 414.542 5.625 0 1 HKAF C[C@H](CO)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356732686 OQIJRBFRXGIHMI-GZWQEMICSA-N 420.678 5.412 0 1 HKAF COc1cc2c(c3c1C(=O)O[C@H](C)CCCCCCC3)C[C@@H]1[C@H](C)CO[C@@]1(C)O2 2356824452 GUWRCPIQLPSBMM-QHQBPXOVSA-N 402.531 5.071 0 1 HKAF CCCc1cc(C(=O)CC)cc(CCC)c1O[C@H](C(=O)O)c1ccc(C(C)C)cc1 12358585 BLBKQSCECDPYAW-VWLOTQADSA-N 410.554 6.512 0 1 HKAF COc1cc2c(c(OC)c1)C(C)=[N+](c1ccc(OC)c3c(OC)cc(C)cc13)[C@@H](C)C2 13359270 JKTBSIJVOXMOGK-INIZCTEOSA-N 420.529 5.280 0 1 HKAF COc1c2c(cc(O)c1-c1c(C)cc(OC)c3c(OC)cccc13)C[C@@H](C)N=C2C 13359282 XMOJFRYAKHSQFO-CQSZACIVSA-N 405.494 5.300 0 1 HKAF biogenic C[C@@](O)(c1ccsc1)[C@H]1CCCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C 13560788 ZYRBSUDYHJGRMJ-KMDXXIMOSA-N 408.542 5.727 0 1 HKAF CC(C)=C[C@H](CO)/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 14691420 QTEJGXGKZMMAET-PZJSBSMISA-N 412.614 6.812 0 1 HKAF CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCc2ccccc2[C@@H]1N1CCCC1 27845777 INMXFLCIEKZCEN-GMAHTHKFSA-N 417.380 5.146 0 1 HKAF CS(=O)(=O)c1ccc(C=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 28120468 QZMXDJPBJZDNMK-UHFFFAOYSA-N 403.330 5.986 0 1 HKAF CCOP(=O)(OCC)[C@H](Nc1nc2c(C)cccc2s1)c1ccccc1F 28571184 CLASFMUIFVKHQI-SFHVURJKSA-N 408.435 6.121 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(C)c(O)c2)C(C)(C)CCC1 28895822 XZPNKGUCDYDVIY-BOTVSQQLSA-N 405.582 7.171 0 1 HKAF O=c1[nH]c(C2=C[C@H](N3CC=C(c4ccc(F)cc4)CC3)CC2)nc2c(Cl)cccc12 28954721 MCEUIALTZODGFY-LJQANCHMSA-N 421.903 5.051 0 1 HKAF Cc1nc(-c2cccs2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1 35984135 ASTAPGJBBBKTEX-MRXNPFEDSA-N 419.619 6.422 0 1 HKAF CN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccccc1Cl 40422728 YSWGIVMGBFDFFU-UHFFFAOYSA-N 420.959 6.878 0 1 HKAF O[C@H]1C[C@H](CN2CCC(c3c(Cl)cccc3Cl)CC2)CCc2cccnc21 40423762 SISXVOYCUPLCDX-QRWLVFNGSA-N 405.369 5.254 0 1 HKAF COC(=O)c1ccc(NCc2cncn2Cc2cccc(C)c2)cc1-c1ccccc1 40975693 CRDLOHMWARPYLL-UHFFFAOYSA-N 411.505 5.306 0 1 HKAF CN1[C@H]2CC[C@@H]1C[C@H](c1ccc(Cl)cc1)[C@H]2c1nc(-c2ccc(Cl)cc2)no1 56727868 WIOSJRNBAZNBKL-YSTOQKLRSA-N 414.336 5.777 0 1 HKAF C[C@H]1CN(C[C@H](C)n2cc(C(=O)c3cccc4ccccc34)c3ccccc32)CCO1 58541088 QHEXMQRSPDIKKB-PMACEKPBSA-N 412.533 5.307 0 1 HKAF Cc1cc(C(=O)O)c2c(c1)nc(-c1c(F)c(F)c(-c3ccccc3)c(F)c1F)n2C 68247341 ODRKLDQUSFUXGF-UHFFFAOYSA-N 414.358 5.470 0 1 HKAF COc1ccccc1CCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccccc2F)n1 82176122 HFLYOEJXEKOKSM-UHFFFAOYSA-N 418.472 5.218 0 1 HKAF COc1cc(-c2nnc(SCc3ccccc3)o2)ccc1OCc1ccccc1 84690122 SDOFKQJUFIRZMQ-UHFFFAOYSA-N 404.491 5.617 0 1 HKAF CO[C@H]1Cc2c(csc2-c2ccc(C)cc2)C2(CCN(Cc3ccccc3)CC2)O1 95557590 IDXDVRFUQHNRCQ-XMMPIXPASA-N 419.590 5.760 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](N)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118919998 XBCGINQJTOMOTB-YHMDZATGSA-N 403.695 6.406 0 1 HKAF COc1cccc2c1CCC[C@H]2Nc1cc(-c2ccc3ncsc3c2)nc(C)n1 142005515 CQGQUVJJJIQFER-GOSISDBHSA-N 402.523 5.560 0 1 HKAF CC(=O)N1CCC[C@H](c2cccnc2Oc2ccc(Nc3ccc(C)cn3)cc2)C1 143677609 KTPXENPNDMLGRM-IBGZPJMESA-N 402.498 5.047 0 1 HKAF CC[Si](/C=C\[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C)(CC)CC 195522993 YJHXTKLNZPUSSR-AQCKDAAKSA-N 412.690 6.583 0 1 HKAF Nc1n[nH]c2c(-c3ccc4[nH]ccc4c3)ncc(-c3ccc(Oc4ccccc4)cc3)c12 198313263 LNRIEAVCDXMKOO-UHFFFAOYSA-N 417.472 6.148 0 1 HKAF COc1cc(-c2noc3c2CCC[C@@H]3NC2CCCCC2)ccc1-n1cnc(C)c1 205489896 NSZVTUFQBOZSJC-FQEVSTJZSA-N 406.530 5.144 0 1 HKAF CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1cc(-c2ccc(C)cc2)nc2ccc(OC)cc12 299853405 KEEAZUSOQKVNRM-HRMXRHLASA-N 416.565 5.373 0 1 HKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(OC(C)C)cc2[nH]1 586983110 VSDVFCZGICQYFU-QGZVFWFLSA-N 415.375 6.485 0 1 HKAF Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ncc1Br 586986744 TVLYJFZUBPWBGD-UHFFFAOYSA-N 417.262 5.285 0 1 HKAF Clc1cc(Cl)c2[nH]c(COc3ccc4ccccc4c3Br)nc2c1 587000667 JJXOIWVLJQBLIM-UHFFFAOYSA-N 422.109 6.364 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5cccc(O)c5[nH]4)c23)cc1 587037541 GGRDBBGWHMFEEV-UHFFFAOYSA-N 404.520 5.541 0 1 HKAF CCCOc1cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2cc1Br 587077878 YXOUVIJEKPKXIA-UHFFFAOYSA-N 419.750 6.238 0 1 HKAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cncc(Br)c3[nH]2)c1 587093565 PHNCONURWLGDEH-UHFFFAOYSA-N 410.115 5.425 0 1 HKAF FC(F)(F)Oc1ccc2c(-c3nc4cc(OCc5ccccc5)ccc4[nH]3)n[nH]c2c1 587127230 QACDFHAMVLTQMS-UHFFFAOYSA-N 424.382 5.584 0 1 HKAF O=C(O)c1ccc(-c2cc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)ccc2F)cc1F 587138616 OGOBARFZOULKOZ-UHFFFAOYSA-N 420.202 5.575 0 1 HKAF Fc1ccc(-c2ccccc2-c2nc3ccc(F)c(Br)c3[nH]2)cc1F 587145799 RDMXENZHSRHKMC-UHFFFAOYSA-N 403.201 6.077 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c(Cl)c2)cc1F 587146039 WPIPQIBXOWVQAO-UHFFFAOYSA-N 408.860 6.159 0 1 HKAF COc1cccc(-c2cc(-c3cc4cccc(F)c4o3)nc3c2oc2ccccc23)c1 587360252 NBCRIXDJVGAPBN-UHFFFAOYSA-N 409.416 7.209 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)c(C)c1)(C1CC1)CC2=O 587455786 FYXWGEPFQGQWGH-JOCHJYFZSA-N 415.327 5.686 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(C(C)(C)C)[nH]c3c(C)ccc(F)c13)CC2=O 587472435 QLRKZYLRWCLRCS-IBGZPJMESA-N 409.501 6.278 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)([C@@H](C(=O)OCC)C(C)C)CC2=O 587481502 NACPACADFOBPHM-BVAGGSTKSA-N 424.537 5.127 0 1 HKAF C[C@@]1(c2cc(Cl)ccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587495698 FQZANJAQYIROLH-FQEVSTJZSA-N 405.719 5.862 0 1 HKAF O=C1C[C@@H](c2cc(F)cc(I)c2)Oc2c1ccc1c2CCCC1 587502028 DMJVRYKXGMQYOI-SFHVURJKSA-N 422.237 5.016 0 1 HKAF Cc1ccc(C)c(-c2cc3ccccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587518308 FHYPIZBPBFXHRQ-HHHXNRCGSA-N 421.540 6.808 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccco1)c1ccc(Cl)s1 587614095 RAALWNCUXORSLY-UGKGYDQZSA-N 424.861 5.606 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)c(Cl)c2)N1 587693862 KIBJSKTYPKXQTA-XLFHBGCDSA-N 403.122 5.693 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)[nH]c3ccccc23)N1 587704560 JJOZIMJFHKCEJB-APBUJDDRSA-N 407.714 5.521 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2F)(C(F)(F)F)N1 587707070 SKVVHTOVYGDKQE-JDNHERCYSA-N 406.192 5.067 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2cccc(C(F)(F)F)c2)N1 587711577 HRRKNCCJWPYKDV-ZMZPIMSZSA-N 416.256 5.599 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2CCC(C(F)(F)F)CC2)N1 587718678 JLRAUACHDIEWLC-PTYRAISJSA-N 408.277 5.706 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OC(F)(F)F)c2)N1 587721807 QBGKTJPIMCUZBL-QGHHPUGFSA-N 418.228 5.285 0 1 HKAF Cc1ccc(-n2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1C 587755502 AGLYZNRPEUSSET-LHSJRXKWSA-N 414.322 5.014 0 1 HKAF CCOc1cccc(OCC)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587801385 KZFHKOOBXIUEHX-ASSNKEHSSA-N 422.338 5.183 0 1 HKAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12 587807978 MJYPXMPXOKBLNE-XUSGNXJCSA-N 400.291 5.374 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccccc3)o2)N1 587827197 IHPYFCOXJHIMMQ-YEJXKQKISA-N 416.290 5.384 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(ccc4ccccc43)o2)N1 587835694 XRYTYASDWUPGRH-NPMABZOXSA-N 424.313 6.285 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3c(s2)CC(C)(C)CC3)N1 587859418 WOPRNFUCNCIBIX-BTDLBPIBSA-N 409.368 5.183 0 1 HKAF COc1ccc(-c2ccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c(O)c2)cc1OC 587925803 DHEDKTIAGQSIJC-UHFFFAOYSA-N 418.346 5.176 0 1 HKAF COc1ccc(-c2cccc(-c3nc4ccc(Br)nc4[nH]3)c2C)c(OC)c1 587929345 NUYZUZKXPGKFPB-UHFFFAOYSA-N 424.298 5.380 0 1 HKAF CN(C)C[C@H]1CCc2cc(-c3ccccc3Cl)ccc2[C@]1(O)c1cccc(O)c1 653819670 OXJXBBSJYVUZFL-NLFFAJNJSA-N 407.941 5.073 0 1 HKAF Cc1c(F)ccc2c1[C@H](c1cn(-c3ccccc3)nc1-c1cccc(Cl)c1)NCC2 962090215 HRPXXYXRYVHTCZ-VWLOTQADSA-N 417.915 5.875 0 1 HKAF COc1ccc(Oc2ccccc2[C@@H]2NCCc3cc(-c4ccccc4)ccc32)cc1 962671210 SYCZSPQWAXTYJW-MUUNZHRXSA-N 407.513 6.390 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc3cc(C)ccc3n(CC(C)C)c2=O)N1 962952613 VHEDNNBMTWGYRM-AFMDSPMNSA-N 413.565 5.461 0 1 HKAF CCCN1[C@H](c2cc3ccc(Br)cc3s2)c2ccccc2C[C@H]1C 963233292 SYJSQTSZKHRKOK-SZNDQCEHSA-N 400.385 6.410 0 1 HKAF COc1ccc(CC[C@@]2(c3ccc(C)c(C)c3)NCCc3cccc(Cl)c32)cc1 963390818 NANPGITUJISCCH-SANMLTNESA-N 405.969 5.988 0 1 HKAF CCCCn1c2ccc(-c3csc(N)n3)cc2c2cc(-c3csc(N)n3)ccc21 1772630644 JQJWLYGWFZCSTQ-UHFFFAOYSA-N 419.579 6.006 0 1 HKAF Cc1noc(C)c1-c1ccc2c(Nc3ccc(F)cc3)nn([C@@H]3CCCCO3)c2c1 1857561633 GWHSACXGSRUDLY-NRFANRHFSA-N 406.461 5.890 0 1 HKAF Cc1c(-c2ccc(O)cc2)c(=O)n2nc(-c3ccccc3)c(-c3cccs3)c2n1C 1857605265 GDZBNTXWLZMSPH-UHFFFAOYSA-N 413.502 5.110 0 1 HKAF CC=C(C)C(=O)N[C@@H]1C=C2CC[C@H]3C4=CC[C@@H]([C@@H](C)N(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 2356409899 WKBYYEDQGZSMCP-IVSZJCCBSA-N 424.673 5.887 0 1 HKAF CC=C(C)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CCC(C)=CCO)[C@@](C)(O)CC[C@H]21 2356432667 INBPZKYNDOCEIN-OWUXGNKUSA-N 406.607 5.188 0 1 HKAF CC(=CCCc1coc(Cc2ccoc2)c1)CCC[C@H](C)C[C@@H]1OC(=O)C(C)=C1O 2356566530 KXCGKQKQHXCUKP-MBSDFSHPSA-N 412.526 6.296 0 1 HKAF CCC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@@H]3CC[C@@]12C)C(C)C 2356645352 MVTBWZPAISRVGC-ZNMOHFILSA-N 416.734 8.105 0 1 HKAF CCCCC[C@@H]1C=C[C@H](CCCCC[C@H](C(=O)O)[C@H](O)CCC2(O)CCCC2)CC1 2356773317 WPPKZMUCJIDWFE-NAVOZUGXSA-N 422.650 6.247 0 1 HKAF CN(C)c1ccc(-c2cc(F)c(F)cc2-c2ccc(S(C)(=O)=O)cc2)cc1Cl 3814670 QZSPOJXXPCQISC-UHFFFAOYSA-N 421.896 5.422 0 1 HKAF CCCC(CCC)N1CCc2nn(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c23 13645770 HJLNASIDHYJLFM-UHFFFAOYSA-N 417.384 6.367 0 1 HKAF O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(Cl)c(Cl)c1 13704364 VYMOCAXTOCAJLW-UHFFFAOYSA-N 408.288 6.098 0 1 HKAF CCN(CC)CCSc1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1 13796296 FZFFKGGXQBZHII-UHFFFAOYSA-N 421.676 5.940 0 1 HKAF CC(C)N1CCC(NC(=O)c2cc3ccccc3n2CCc2ccc(Cl)cc2)CC1 14959747 QOTVVZPQBGZYFT-UHFFFAOYSA-N 423.988 5.140 0 1 HKAF CC/C(=C(\c1ccccc1)c1ccc(OC(C)=O)cc1)c1ccc(OC(C)=O)cc1 26016181 OSZQLAMYVFQHQW-QPLCGJKRSA-N 400.474 5.906 0 1 HKAF CCN1CC[C@@H]2[C@H](C1)c1cc(Br)c(C)cc1[C@H]2c1ccc(C(=O)O)cc1 26255901 UNGOBCSLLUQWFP-PBEJRMEISA-N 414.343 5.027 0 1 HKAF CC1=C(c2ccc(O)cc2)[C@H](CCCCCCN2CCCCC2)c2ccc(O)cc21 26636976 BZSKDCYJCCUEAL-RUZDIDTESA-N 405.582 6.562 0 1 HKAF COc1ccc([C@H]2N(c3ccc(OC)cc3)C(=O)[C@@]2(C)CCCc2ccccc2)cc1 27205572 MMXSVUMZXIYELR-VPUSJEBWSA-N 415.533 5.821 0 1 HKAF C[C@@]1(Cc2ccccc2)Cc2cc(OCCCC(=O)O)c(Cl)c(Cl)c2C1=O 27647093 GCJJNGNRQXEPOF-OAQYLSRUSA-N 407.293 5.225 0 1 HKAF Fc1ccc([C@H]2C[C@@H](N3CCN(CCc4ccccc4)CC3)c3cc(F)ccc32)cc1 28017336 YXRUWBIIYKNYPG-XNMGPUDCSA-N 418.531 5.402 0 1 HKAF Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2ccc3ccccc3c2)n1CC1CC1 28862071 MIIFTIYMZBKBTO-LNVKXUELSA-N 414.596 5.008 0 1 HKAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCc1ccc(O)c(OC)c1 33956305 QLXBKYBHBQBEFT-NQLNTKRDSA-N 415.618 6.831 0 1 HKAF C/C=C(/C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34187279 MMFZLVUIFVOBLE-BZAWWHFTSA-N 412.702 7.945 0 1 HKAF Fc1ccc(-c2noc(C3CCN(c4cnc5c(c4)CCCC5)CC3)n2)c(Cl)c1 40405422 PMUGVWSYIKXQQJ-UHFFFAOYSA-N 412.896 5.187 0 1 HKAF CCOP(=O)(OCC)[C@@H](Nc1nc2ccc(OC)cc2s1)c1ccccc1F 40565055 XUAMBWHXTDIFHG-GOSISDBHSA-N 424.434 5.821 0 1 HKAF Fc1ccc(N2CCN(c3nc(-n4ccc5ccccc54)c4ccccc4n3)CC2)cc1 40874943 OSVKSJNCHSEWFC-UHFFFAOYSA-N 423.495 5.039 0 1 HKAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2ccccc2)C1 82132956 MGFUTXNXVLZKSM-VQTJNVASSA-N 406.574 5.031 0 1 HKAF COc1ccc(-c2ccc(NS(=O)(=O)c3ccc4cc(OC)ccc4c3)cc2)cc1 82156741 SFIBTFUOUZLPCM-UHFFFAOYSA-N 419.502 5.325 0 1 HKAF Fc1ccc(-c2nc(NC3CCCCC3)ncc2-c2nc3ccccc3s2)cc1 82164136 RWSUXQPJJVSFKA-UHFFFAOYSA-N 404.514 6.304 0 1 HKAF Cc1cccc(-c2nc(NCc3ccc(C)o3)ncc2-c2nc3ccccc3s2)c1 82167418 GVTSBYRJKBAFTM-UHFFFAOYSA-N 412.518 6.242 0 1 HKAF C[C@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c3ccccc3Cl)c2c1 95557330 HOODCJJTHOPMRQ-LBPRGKRZSA-N 412.272 5.978 0 1 HKAF CCCN1[C@H]2CC[C@@H]1C[C@H](N(c1ccccc1)c1ccc(C(=O)N(CC)CC)cc1)C2 100760091 MPRXVSJYTYGFJP-GPOLMCQNSA-N 419.613 5.712 0 1 HKAF O=C(c1ccccc1)c1ccc2c(c1)N=C1CCCC(O)=C1[C@@H](c1cccc(O)c1)N2 103871805 PJWHGVDUYHEJDB-RUZDIDTESA-N 410.473 5.859 0 1 HKAF CCCCN(CCCC)C[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2sccc12 169336073 HNHWEMPDCUFQNG-NRFANRHFSA-N 423.544 7.009 0 1 HKAF O[C@@H]1CN2CCC/C=C\C/C=C\CCC3=C[C@@H]4CN5CCCC/C=C\CC[C@@](C2)([C@H]14)[C@@H]35 238754461 LJHXXWLMNPGGPA-UOFMOGPOSA-N 422.657 5.103 0 1 HKAF CN[C@H]1CC[C@H](N(Cc2ccncc2)C(=O)c2sc3ccccc3c2Cl)CC1 254134097 KPTAQXGMYMSABR-QAQDUYKDSA-N 413.974 5.123 0 1 HKAF Cc1cnn(C[C@H]2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)c1C 261136312 MCOFQVSKAQKXFA-KOMQPUFPSA-N 413.871 5.161 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(Oc5ccccc5)ccc4[nH]3)cc2)CC1 586881215 REOIQGBQUBHCTE-HZCBDIJESA-N 424.588 8.486 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(S(C)(=O)=O)ccc4[nH]3)cc2)CC1 586881374 VCZPIKZXSSXHRQ-IYARVYRRSA-N 410.583 6.097 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4c(I)cccc4[nH]3)cc2)o1 586904003 XKNVXJARMLVOSF-UHFFFAOYSA-N 400.219 5.403 0 1 HKAF Cc1ccc2c3c(cc(-c4ccccc4Br)nc13)-c1ccccc1C2=O 586994313 YCCIBFHAHUNSIG-UHFFFAOYSA-N 400.275 6.184 0 1 HKAF Clc1cncc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 587016756 DAEWUNWLEWBBRC-UHFFFAOYSA-N 411.737 5.150 0 1 HKAF FC(F)(F)Oc1cccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587017457 LROUNNHHWWVESO-UHFFFAOYSA-N 403.385 5.187 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(Cl)cc(F)c3[nH]1)N2 587031288 MRNCLZAKORXKOJ-UWZPUTRXSA-N 422.938 5.482 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncc(Cl)c(Cl)c4[nH]3)c21 587032033 YAWFZJGZPBOKJK-JTQLQIEISA-N 403.338 6.224 0 1 HKAF FC(F)(F)c1cc2nc([C@@H]3SCCc4sccc43)[nH]c2cc1Br 587037699 WZTODNQVEJENFK-CYBMUJFWSA-N 419.291 5.784 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc2c1 587062707 JKPOQLKXKFVMIG-UHFFFAOYSA-N 421.249 7.146 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(Br)cc3Cl)nc3cccc1c23 587101808 MWSIDAFEKULTPE-UHFFFAOYSA-N 420.693 6.529 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Cl)c(Cl)cc3[nH]2)c(Cl)c1 587159054 LRJPIEZZHSMDNO-LJQANCHMSA-N 421.686 6.831 0 1 HKAF Fc1ccc(/C=C(\c2nc3ccnc(Br)c3[nH]2)c2cccs2)cc1 587164705 VLFNOQCFAWDTHG-RAXLEYEMSA-N 400.276 5.510 0 1 HKAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587170189 LTGBQBQMKGEGJC-QMMMGPOBSA-N 401.251 5.639 0 1 HKAF CC1(C)O[C@H](c2ccccc2)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355666 FOCNSQLXXQUKSS-FXSPECFOSA-N 418.464 5.569 0 1 HKAF CC1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 587358298 WKGXDKTVNALPBU-RDGATRHJSA-N 420.436 5.052 0 1 HKAF CC(C)[C@]1(CSc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587369968 SFNCDFXQGCQWHS-ZCYQVOJMSA-N 422.521 6.077 0 1 HKAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cccc(F)c1 587384372 KXTNWSWCZCRESQ-JOCHJYFZSA-N 407.441 5.010 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cc(OCc3ccccc3)c1)CC2=O 587460121 FZCRZJDVZLWIRR-XMMPIXPASA-N 422.908 6.284 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCCc1ccccc1)(c1ccccc1)CC2=O 587487631 FXDSWVFPMYPXQT-MHZLTWQESA-N 400.518 6.228 0 1 HKAF C[C@]1([C@@H]2C[C@@H]2c2c(F)cccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554709 DWVSJXAECCLLLR-GBEZNDHNSA-N 424.855 5.709 0 1 HKAF CCOC(OCC)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587594493 LNVJEJYPQFBETO-ZJSXRUAMSA-N 420.461 5.167 0 1 HKAF CCCCC[C@@H]1[C@@H](CC(=O)O)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587600449 AQLSVRSYOFLCJN-CORNDFQASA-N 424.493 5.174 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1C1CCCCC1 587601477 GKMRKVATZIDTRH-ZEQKJWHPSA-N 400.474 6.143 0 1 HKAF C[C@]1([C@@H]2C[C@H]2c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612196 KXKISETYBGHVQQ-LLQHVWOFSA-N 412.894 5.631 0 1 HKAF O=Cc1cc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)sc2s1 587618636 PCIHUSVSIKEDET-FXAWDEMLSA-N 408.456 5.184 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12c1ccccc1Sc1ccccc12 587619454 SOBPDHYXYXYFFE-QHCPKHFHSA-N 424.477 5.762 0 1 HKAF CC(C)[C@]1(c2ccc(Cl)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587726048 TZLLDPWAAVNWPA-JEOXALJRSA-N 414.721 5.815 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccc(F)cc3)c2)N1 587735415 PRSIWAJKBCBMMB-XMHCIUCPSA-N 414.293 6.018 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccnc1 587748969 CHGYPYUJNRNXFQ-LAJNKCICSA-N 414.322 5.014 0 1 HKAF CC(C)c1nn(C(C)(C)C)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587763263 IPDFALJCGYQWOD-HXPMCKFVSA-N 408.359 5.287 0 1 HKAF Cc1c(Br)cnc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc12 587783923 JIGMUKYOHHUQKY-FMIVXFBMSA-N 420.310 5.778 0 1 HKAF CCCCOc1c(OC)cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587794589 OWEIYFKUTLPZMX-RBZFPXEDSA-N 422.338 5.399 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1COc1ccccc12 587836049 RHMUUDZXBCOIKY-PSLXWICFSA-N 424.313 5.307 0 1 HKAF Cc1cccc(-c2csc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)c1 587856290 XKOOJSGOZJWBMW-BUXKBTBVSA-N 417.347 5.644 0 1 HKAF COc1cccc([C@H](C)Cc2nc3c(Br)ccc(Br)c3[nH]2)c1 587933040 YHKFFDAXDRERBA-SNVBAGLBSA-N 424.136 5.443 0 1 HKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587952776 XDOIVGDFAJVDEZ-MMPTUQATSA-N 419.285 6.391 0 1 HKAF Cc1ccccc1-c1ccc(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 587960264 XKIMHDODAMOPLN-UHFFFAOYSA-N 416.830 6.681 0 1 HKAF CC(C)CSC[C@@]1(C)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961777148 NZNYEAJQPWXNLY-QHCPKHFHSA-N 404.620 5.442 0 1 HKAF Clc1c[nH]c2nccc-2c1[C@@H]1c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962632709 LOKWJZPIFMEJHY-CYFREDJKSA-N 414.940 5.004 0 1 HKAF COc1cc2c(cc1OC)[C@@H](c1cccc(-c3ccc(Cl)cc3)n1)N(C)[C@@H](C)C2 962640039 YKHBZNFUSYUWLF-OWJWWREXSA-N 408.929 5.385 0 1 HKAF Fc1cc(F)c([C@@H]2NCCc3cccc(-c4ccccc4)c32)cc1Br 962670041 PUGMSCBVNKTMDY-NRFANRHFSA-N 400.266 5.629 0 1 HKAF C[C@]1(c2ccccc2Cc2ccccn2)c2cccc(F)c2CCN1[C@H]1CCSC1 962697984 IRTFFBSCTCTYNF-LVXARBLLSA-N 418.581 5.439 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)c(C)c1[C@@H]1c2ccsc2CCN1Cc1ccco1 962713082 SMDNDAAQLJCKGA-QHCPKHFHSA-N 423.969 5.945 0 1 HKAF Cc1ccc(Cn2nc(C)c([C@@H]3c4ccsc4CCN3Cc3ccco3)c2C)cc1 962714075 YEDJMZVLFLTWPZ-VWLOTQADSA-N 417.578 5.659 0 1 HKAF Cc1ccccc1[C@]1(C2CCCCC2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962728733 FVISOEDQVNKWKD-GMAHTHKFSA-N 401.472 5.465 0 1 HKAF Cc1cccc(CC[C@@]2(c3ccccc3C)NCCc3ccc(C(=O)N(C)C)cc32)c1 962921716 DIHXGAKKVSGOOS-NDEPHWFRSA-N 412.577 5.027 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@]3(CCc1ccccc1)C1CCCCC1 963046972 NMHRGHBXRLTUSB-HHHXNRCGSA-N 400.566 5.798 0 1 HKAF CC(C)c1cccc(NC(=O)Nc2ccc(-c3cc4ccccc4n3C(=N)O)cc2)c1 1772602230 QEUJPSURIIRPKP-UHFFFAOYSA-N 412.493 6.417 0 1 HKAF CC(C)=CCc1cc([C@@H]2CCc3ccc(O)cc3O2)c2c(c1O)CC(C)(C)[C@@H](O)C2 1772643702 XDDAFCNRNKKJFR-UPVQGACJSA-N 408.538 5.159 0 1 HKAF CN1C(=N)N[C@@](c2ccccc2)(c2cccc(-c3ccc(-c4ccccc4)cc3)c2)C1=O 1857575465 CSFICYUCFDVENJ-NDEPHWFRSA-N 417.512 5.261 0 1 HKAF C[C@@H](NC(=O)c1ccccc1)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857621978 NOVUBZJSKIJHDS-FWSBPEJGSA-N 421.625 5.745 0 1 HKAF CC1(C)C(=O)CC[C@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2CC[C@@H]2[C@H]([C@@]3(C)C=CC(=O)O3)CC[C@]21C 2356649358 JRGYNXKJYVLQBR-SVTIOQHOSA-N 412.614 6.112 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCC[C@]1(C)CCc2cc(O)c(C=O)c(C)c2O1 2356691147 YZVVWGKWMXQUIQ-MUUNZHRXSA-N 424.625 7.796 0 1 HKAF CC=C(C)c1cc(O)c(C)c(OC(=O)c2c(O)c(C)c(O)c(Cl)c2C(C)=CC)c1 2356716856 AEQBAXLIEJZXPN-UHFFFAOYSA-N 416.901 6.139 0 1 HKAF COc1cc(O)c(-c2c(C)cc(OC)c3c(OC)cccc23)c2c1[C@@H](C)N(C)[C@@H](C)C2 6069900 DJKKAJMAHBJDCM-JKSUJKDBSA-N 421.537 5.484 0 1 HKAF biogenic CCCN(CCC)c1nc(C)nc(N(CC)c2ccc(N(C)C)cc2C(F)(F)F)n1 13794580 QADWFPRBMZALOX-UHFFFAOYSA-N 424.515 5.049 0 1 HKAF Clc1cccc([C@H](OC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c2ccccc2)c1 13861967 QJFFUDZGJNXBLG-RIFKGGETSA-N 417.980 6.642 0 1 HKAF CC(C)[C@H](O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 14925964 IOWMKBFJCNLRTC-ICQWBCSASA-N 402.663 6.360 0 1 HKAF CN1CCN(CCCn2cc(-c3cncc(-c4ccsc4)c3)c3ccccc32)CC1 21290203 FYOYABXHBTZQMB-UHFFFAOYSA-N 416.594 5.069 0 1 HKAF CC(C)c1ccc(C(c2ccccc2)c2ccc(C(C)C)cc(=O)c2O)c(O)c(=O)c1 25983632 MLVIEOXFLKKKER-UHFFFAOYSA-N 416.517 5.245 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@](C)(C[C@H](O)C3=CC(=O)O[C@H]3O)CCC[C@@]21C 26971975 JSDANYFQRXTLHP-KSZXRQLYSA-N 406.607 5.224 0 1 HKAF O=C(O)CC/C=C\C[C@@H]1CO[C@@H](c2ccc(C(F)(F)F)cc2)O[C@@H]1c1cccnc1 27744988 XOQYYYDNOJHZEH-CZMBYRBPSA-N 421.415 5.314 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 40164492 INBGSXNNRGWLJU-PAHPABNYSA-N 402.663 6.504 0 1 HKAF endogenous,in-man CC(=O)O[C@H]1[C@H](C)OC(=O)[C@H]1CCCCCCCCCCCCC1=C[C@H](C)OC1=O 40411824 FXNASNSEMIBZQX-GPHNJDIKSA-N 422.562 5.033 0 1 HKAF O=C(/C=C/C1=C(c2ccccc2)c2ccccc2CC1)Nc1cccc2ccccc12 64503871 DRCCYQONTRSKTP-FMQUCBEESA-N 401.509 6.783 0 1 HKAF CC(C)NC1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 64540024 AKLVTHKWZDHWGM-UHFFFAOYSA-N 413.993 5.223 0 1 HKAF CC(C)OC(=S)Nc1ccc(OCCn2c3ccccc3c3ccccc32)cc1 84596570 BEHSYQIEDJWNRB-UHFFFAOYSA-N 404.535 5.995 0 1 HKAF C[C@@H](c1ccc2c(c1)c1ccccc1n2C)n1cc(-c2ccc(C(C)(C)C)cc2)nn1 84669429 ILUDOMPKIRNRNV-SFHVURJKSA-N 408.549 6.497 0 1 HKAF O=C(Nc1cccc2cccnc12)c1ccc(N2C(=O)CC[C@@H]2c2ccccc2)cc1 96909094 SMTHEHLVVRPFAV-HSZRJFAPSA-N 407.473 5.355 0 1 HKAF O=c1cc(-c2ccc(-c3cc4ccccc4s3)cc2)sc(N2CCOCC2)c1 101380344 MDSNARIASNOZBX-UHFFFAOYSA-N 405.544 5.494 0 1 HKAF CC1=C(c2ccccc2C(F)(F)F)C(=O)N(C(C)(C)c2nc3ccccc3s2)C1 103198987 ROIMBHVMCBFVML-UHFFFAOYSA-N 416.468 5.866 0 1 HKAF CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccs2)C2=C(O)CC(C)(C)CC2=N1 104006895 DLTBJQDHUNJOMU-OAQYLSRUSA-N 410.514 5.970 0 1 HKAF CCOc1cc([C@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)ccc1O 104040561 GWIVPCWNONLISQ-XMMPIXPASA-N 406.526 6.279 0 1 HKAF CC(C)[C@@H](C)[C@H](C)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118923989 KTGGCSVZUGUIFS-YNJOKVHXSA-N 416.734 7.961 0 1 HKAF Clc1cc(-c2ccn3c(CC4CC4)nnc3c2Cl)ccc1NC1CCOCC1 143548807 PMHIYAASFGVALV-UHFFFAOYSA-N 417.340 5.247 0 1 HKAF c1ccc(-c2csc3ncnc(N4CCC(COc5cccnc5)CC4)c23)cc1 146529786 GSFPORYJRAGKBD-UHFFFAOYSA-N 402.523 5.049 0 1 HKAF COC(=O)[C@@H]1[C@H]2CC[C@@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(OC)cc2)s1)C3 169369483 MJYUGDRYDHXYRF-RPTKJTSBSA-N 423.578 5.101 0 1 HKAF Cc1cc([C@H](C[C@@H](c2ccc(Br)cc2)c2ccccc2C)N=O)ccn1 169730225 INISOYAKHGTHDU-VXKWHMMOSA-N 409.327 6.491 0 1 HKAF C/C=C(/C)C(=O)O[C@@H]1C[C@@H](C)[C@](C)(CC/C(C)=C\C(=O)O)[C@H]2CCC=C(C)[C@]12C 238774342 XEAOZVIWAIPENF-FQKDTCNJSA-N 402.575 6.084 0 1 HKAF c1ccc(CN2[C@H](c3ccccc3)C3=C(NO[C@@H]3c3ccccn3)[C@@H]3CCCC[C@H]32)cc1 254132105 JJQHRZMERXCEHL-SAYRZEODSA-N 423.560 5.728 0 1 HKAF O=C(CC1CCC1)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 261187940 YBUAHTMMKRAXBO-JKIUYZKVSA-N 422.613 5.868 0 1 HKAF C[C@@H]1CC[C@@]2(NC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@@]5(C)[C@@H]4CC[C@]3(C)[C@H]1[C@H]2C 299872791 KWVISVAMQJWJSZ-TXXVBSHRSA-N 413.646 5.287 0 1 HKAF O=C(NC[C@H](CC1CC1)c1cnc(C(F)F)nc1)c1cccc(Cl)c1Cl 473194887 UJBRWGBNEXTWRG-NSHDSACASA-N 400.256 5.035 0 1 HKAF CC(=O)c1cc(C(C)=O)cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586991478 NICITONZCLCHMI-UHFFFAOYSA-N 407.425 5.224 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC[C@@H](NC(=O)OC(C)(C)C)C4)-c1ccccc1C2=O 586996883 QTRYETVCUGLOHT-OAHLLOKOSA-N 414.505 5.137 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c(-c3cc4ccc(Br)cn4c3)nc2c1 587006002 DTYBDKCKRJDVJZ-UHFFFAOYSA-N 414.612 5.917 0 1 HKAF CCO[C@H](C)c1nc(C)c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)s1 587013802 CICWUWDIUAWTRM-CYBMUJFWSA-N 420.563 6.369 0 1 HKAF Cc1cc(-c2nc3c(Cl)nccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587058551 GCILOZMNJLESQI-UHFFFAOYSA-N 423.307 5.342 0 1 HKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587066451 NYQFCCYIQXQZJI-SECBINFHSA-N 405.754 5.714 0 1 HKAF CCOC(=O)[C@H](c1ccccc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096303 CDYZGOCAWHFWJH-HSZRJFAPSA-N 407.469 5.450 0 1 HKAF CCOC(=O)c1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(C)nc1C 587097643 OWFYFBYGIBKRRC-UHFFFAOYSA-N 422.484 5.610 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]41)-c1ccccc1C2=O 587099064 ZKRQGAWSJKGGLY-ROUUACIJSA-N 412.489 5.186 0 1 HKAF CC(=O)[C@H](C/C=C\c1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106491 HRLOKDOEMUDIAV-QRGKHIHXSA-N 403.481 6.222 0 1 HKAF Cc1ccc(C)c2[nH]c([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)nc12 587141821 XMNGNTVNFVYVHL-KRWDZBQOSA-N 423.941 5.038 0 1 HKAF Fc1cc(Br)cnc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587158278 VUIGUQGQLSUUGF-UHFFFAOYSA-N 400.276 5.678 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(/C(=C/c3ccc(F)cc3)c3cccs3)nc2c1 587164779 XDKIEEJLWLTTIQ-OQLLNIDSSA-N 412.873 5.792 0 1 HKAF CCOC(=O)c1c(N)sc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1C 587209113 JVGCNVRWVTUIAA-UHFFFAOYSA-N 414.486 5.242 0 1 HKAF O=C1c2ccc(O)cc2OC2(CCN(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)cc1 587335034 NMOLILHGNOLXFP-QHCPKHFHSA-N 421.443 5.069 0 1 HKAF Cc1ccc2c(c1C)[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355530 DRKWTKUFODYKKS-NOZRDPDXSA-N 404.437 5.185 0 1 HKAF COc1cccc(-c2cc(-c3ccc4nc(N)sc4c3)nc3c2oc2ccccc23)c1 587366968 RSJZXOBGQQLRAU-UHFFFAOYSA-N 423.497 6.516 0 1 HKAF Cc1ccc(Oc2c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c3ccccc3n2C)cc1 587392280 YIZVVFLAQHZOPI-QHCPKHFHSA-N 412.489 5.876 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccccc4Cl)cc1)[C@@H](C2)C3=O 587421069 RUQWNLFHTFPLQW-YADARESESA-N 406.865 5.416 0 1 HKAF CCCOc1ccc(Br)cc1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587458005 PBBLWKXESDKJOR-FQEVSTJZSA-N 419.315 5.603 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCOc3c(Br)cc(C)cc31)CC2=O 587461706 XYPVWTFXYPBDOO-OAQYLSRUSA-N 417.299 5.059 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1OCc1cccc(F)c1)CC2=O 587466841 NFBCVMLPRBHNEQ-AREMUKBSSA-N 420.480 5.943 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3cccc(C)c3OC)c1)CC2=O 587479002 LPLZDOOYDXGHIN-XMMPIXPASA-N 402.490 6.035 0 1 HKAF COc1cncc(NC(=O)OC(C)(C)C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587515000 ZODABPCDOKBCBY-LJQANCHMSA-N 424.497 5.023 0 1 HKAF O=C1C[C@H](c2nc3ccc(Br)cc3s2)Oc2c1ccc1c2CCCC1 587536117 RMKUQWNJKKDQNF-QGZVFWFLSA-N 414.324 5.644 0 1 HKAF CC(C)COc1cccc(OCc2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587566140 XIGFVKNHGOTCKM-UHFFFAOYSA-N 404.535 6.328 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ccco1 587567815 CGDBLIGHFPCZFA-XUZZJYLKSA-N 402.377 5.030 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2cccc(F)c2)s1 587568122 DASBZHRFOGUGPF-KNQAVFIVSA-N 419.433 5.358 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(F)c2)cc1 587573338 VXUBIZRFQNLOQB-OZXSUGGESA-N 412.416 5.901 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)[C@@]1(CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588005 IYCCDPIJCMKUKP-ZEQKJWHPSA-N 411.457 5.375 0 1 HKAF Cc1ccc([C@@]2(c3ccco3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587616819 MHZWGCXZFZLWLA-OZXSUGGESA-N 412.441 5.507 0 1 HKAF COc1ccc2sc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 587617588 KRPMMNPIBHOALV-NFBKMPQASA-N 404.443 5.318 0 1 HKAF Cc1c(-c2cc(Br)ccc2F)[nH]c2c1c(Br)cc1n[nH]cc12 587622984 VUYKZUFABDYSRD-UHFFFAOYSA-N 423.083 5.684 0 1 HKAF CS(=O)(=O)c1ccc2[nH]c(Cc3ccc(Cl)cc3)c(CCc3ccccc3)c2c1 587649600 QSYXJPBTXAUOMK-UHFFFAOYSA-N 423.965 5.601 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2Br)N1 587679632 RHIDMXUPGIEBFJ-BMLIUANNSA-N 413.128 5.148 0 1 HKAF CC(C)[C@]1(Cc2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587702291 WGGIELMHNPIGPW-RBZFPXEDSA-N 410.758 5.870 0 1 HKAF CCc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587708854 FIKNBJVQMFJWFS-VOJFVSQTSA-N 416.256 5.491 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OC(F)F)N1 587716758 JYHCLUUZFIEKMG-ZKANADHPSA-N 420.656 5.467 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ncc2C(F)(F)F)N1 587717647 XLLHKIXSZYUZQQ-KWKYVRJSSA-N 423.635 5.279 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OC(F)(F)F)c2)N1 587721804 QBGKTJPIMCUZBL-BMLIUANNSA-N 418.228 5.285 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC23CC4CC(CC(C4)C2)C3)N1 587814865 WJYIUVVDIXJCPX-ZQKRVRBUSA-N 406.383 5.944 0 1 HKAF Cc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587815969 RVODBUQJPIIPJU-OSPHWJPCSA-N 424.357 6.031 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc2c1OC(C)(C)C2 587836260 ZFKSUXMMUHRDDP-HXPMCKFVSA-N 404.323 5.234 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3cccs3)c2)N1 587851772 JJHABSRSHNKLGE-ODXCJYRJSA-N 402.332 5.940 0 1 HKAF Cc1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2cc1Br 587949902 MQJYFHVWTUPYIA-VAWYXSNFSA-N 405.295 6.597 0 1 HKAF COc1ccc(NC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cc1Cl 653882906 ZPSLAYHUXZDEJJ-UHFFFAOYSA-N 417.796 5.501 0 1 HKAF CCc1onc(-c2ccc(Cl)cc2)c1COc1ccc(CCC(=O)O)c(C)c1C 1772618514 IXBJBGLRQLYJSL-UHFFFAOYSA-N 413.901 5.770 0 1 HKAF COc1cc(-c2csc(=S)n2Cc2ccccc2Cl)cc(OC)c1OC 1857568979 GPZYZAQSLDBJSO-UHFFFAOYSA-N 407.944 5.674 0 1 HKAF Clc1ccc([C@@H](c2c[nH]cc2-c2ccc3ccccc3c2)n2ccnc2)c(Cl)c1 1857583363 ZABWFZXICLSWBV-DEOSSOPVSA-N 418.327 6.976 0 1 HKAF Cc1c(CCC(=O)O)cccc1NC(=O)[C@@H](C)c1ccc(-c2cncc(Cl)c2)cc1 1857592858 VNHSMTWXGHWKLW-INIZCTEOSA-N 422.912 5.470 0 1 HKAF Clc1ccccc1-c1nc2ccc(-c3ccccc3)cn2c1CN1CCOCC1 1857656060 AFTOXHVFLXFKKD-UHFFFAOYSA-N 403.913 5.154 0 1 HKAF CCCOc1ccc(-c2cn(CCN3CCCCCC3)c3ccccc3c2=O)cc1 1857750916 VVJDLXXKAPAQQP-UHFFFAOYSA-N 404.554 5.333 0 1 HKAF CC(C)CC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2[C@@H]1C 2356413478 YHRVCEOENVRMCE-CMHTYOOJSA-N 416.646 5.347 0 1 HKAF CC(C)=CCCC(C)=CCOc1cc(O)c2c(O)c3c(cc2c1)C[C@@](C)(O)CC3=O 2356516089 KZPCPZBBGCTGCN-RUZDIDTESA-N 410.510 5.202 0 1 HKAF CC(C)[C@@H]1CC[C@H]2[C@]3(C)CCC4=C(CC[C@H]5C(C)(C)CCC[C@@]45C)[C@@]3(C)CC[C@]12C 2356637050 FQCKEVJQPWDRQG-UKTYTFPXSA-N 410.730 9.198 0 1 HKAF CC(=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@@H](C)C(C)C 2356737374 NWPUQBNUEHLQTQ-ZDUJNYJPSA-N 414.718 7.881 0 1 HKAF COc1ccc(Cc2c(C(C)(C)C)nc3cc(C)c(Br)c(C)n23)c(C)c1 95566807 KPQTTXJUTAVFTR-UHFFFAOYSA-N 415.375 5.919 0 3 HKAF Brc1ccc2c(c1)[C@@H]1[C@H](CO2)C(c2ccccc2)=NN1c1ccccc1 5823921 AHEUPDMAZMYINJ-DENIHFKCSA-N 405.295 5.423 0 1 HKAF COc1cc(O)c(C(=O)[C@H]2CC=C(CCC=C(C)C)C[C@@H]2c2ccccc2)c(O)c1 13410523 VJYZXZFPGQYBKT-FCHUYYIVSA-N 406.522 6.156 0 1 HKAF biogenic CSc1ccc(NC(=O)NCCCN2CCC(Cc3ccc(F)cc3)CC2)cc1 13443525 SLNJDPRNFIRCIP-UHFFFAOYSA-N 415.578 5.014 0 1 HKAF O=c1cc(-c2cccnc2)oc2ccc(OCCCCCCN3CCCCC3)cc12 13454485 CCDAXHSDQCUZEE-UHFFFAOYSA-N 406.526 5.280 0 1 HKAF Cc1cc2c3c(n1)c(-c1ccc(Cl)cc1Cl)nn3C[C@H](C(C)C)N2CC1CC1 13672695 DTEIKIHMFPQXSJ-LJQANCHMSA-N 415.368 5.968 0 1 HKAF O=C(O)Cc1ccc(C(=O)c2ccc(Oc3ccc(Br)cc3)cc2)cc1 13679798 XVHMPUZJYISELN-UHFFFAOYSA-N 411.251 5.100 0 1 HKAF in-vivo CN(C)CC[C@@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1 13684852 SLYBGBRKSZVGCJ-HSZRJFAPSA-N 423.944 5.947 0 1 HKAF O=C(O)COc1cccc(CCc2nc(-c3ccsc3)c(-c3ccsc3)o2)c1 13727457 GDLFWKDHMHVVRS-UHFFFAOYSA-N 411.504 5.380 0 1 HKAF CC(C)=CCc1cc(CCC(=O)c2c(O)cc(O)cc2O)cc(CC=C(C)C)c1O 14444514 YVGQVBTVRWWNNS-UHFFFAOYSA-N 410.510 5.342 0 1 HKAF biogenic Clc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCOCC2)cc1 37285097 XUVKOUTZUGQHMH-UHFFFAOYSA-N 403.913 5.154 0 1 HKAF Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@H](C(=O)O)n2cccc2)cc1 40331238 QPJVYLQOALFBLJ-XMMPIXPASA-N 414.505 5.495 0 1 HKAF C[C@H](/C=C/c1ccccn1)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 45349896 ZUJKHLXYBCCAJM-ZYLJXQKSSA-N 405.626 6.671 0 1 HKAF Cc1ccc(N[C@@H](C(=O)CCc2ccncc2)c2ccccc2C(C)C)c(Cl)c1 52594967 AEJQSVDZOIAELQ-RUZDIDTESA-N 406.957 6.522 0 1 HKAF Cc1cccc(CSc2nnc(-c3ccccc3COc3ccc(Cl)cc3)o2)c1 64448175 DMJHYQKJNZHRPH-UHFFFAOYSA-N 422.937 6.570 0 1 HKAF CCCC[C@@H](CC)CNc1nc(NCCC(C)C)c2cc(OC)c(OC)cc2n1 82130763 COAMYWBPUHKTCS-QGZVFWFLSA-N 402.583 5.733 0 1 HKAF CCCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccco2)n1 82165246 DWEOFQHZVUYKTI-UHFFFAOYSA-N 406.511 5.748 0 1 HKAF CC(C)C[C@H](Nc1nc(-c2ccc3ccccc3c2)cs1)C(=O)NCC(F)(F)F 82195326 OXRFICRUZFWNIY-KRWDZBQOSA-N 421.488 5.468 0 1 HKAF O=C(Nc1ccccc1)N1CCc2sccc2[C@H]1c1cccc(C(F)(F)F)c1 84653308 UILSSESXGROSFV-LJQANCHMSA-N 402.441 5.947 0 1 HKAF C[C@H](c1c[nH]nc1-c1ccccc1)N1CCC(CCC(=O)Nc2ccccc2)CC1 96271758 ODOVTEFMVFIJDE-LJQANCHMSA-N 402.542 5.269 0 1 HKAF CCOC(=O)c1c[nH]nc1-c1sc(N(CC)c2ccccc2)nc1-c1ccccc1 96937372 XXWTZEHJONVGEM-UHFFFAOYSA-N 418.522 5.535 0 1 HKAF O[C@@H](CNc1cc(-c2ccc(C(F)(F)F)c(Cl)c2)ncn1)c1ccccc1F 103261223 ZFQXAWYKZYPICX-KRWDZBQOSA-N 411.786 5.100 0 1 HKAF Cc1cccc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc(C)c(C)o2)c1 105196649 DUGTYSSATNEJPV-KXYFNNKZSA-N 416.569 6.206 0 1 HKAF CCCCC[C@@H](O)c1ccc([C@H]2CC[C@@H](F)[C@@H]2CCCCCCC(=O)OC)cc1 117765724 JTGUMPNVUKLLJU-MOUTVQLLSA-N 406.582 6.646 0 1 HKAF CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@@]21C 135621701 COMISLYNEQPREW-WJOAANAFSA-N 414.674 6.383 0 1 HKAF O=C(O)COc1cc2c(c(Cl)c1Cl)C(=O)[C@]1(c3ccccc3)CCCC[C@H]21 169323057 CGSWWVIWWZGZMO-SZNDQCEHSA-N 405.277 5.249 0 1 HKAF COc1ccc2ccc(CNc3ccc(-c4nn(C)cc4-c4ccncc4)cc3)nc2c1 169324872 CHOIHSWDCPCKOL-UHFFFAOYSA-N 421.504 5.318 0 1 HKAF CCCCN(CCCC)C[C@@H](O)c1cc(Cl)c2nc(-c3ccccc3)ccc2c1 169337318 MRKXLFWPOFMERP-XMMPIXPASA-N 410.989 6.491 0 1 HKAF Cc1ccc(N2C(=N)S/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)c(C)c1 299864362 MHHIJGFYNULLHX-ARKVWGHASA-N 414.530 5.938 0 1 HKAF Clc1cnc2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2c1 586999618 CPJYVYTZILKBAG-UHFFFAOYSA-N 414.694 5.048 0 1 HKAF FC(F)(F)c1cc(Br)cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 587017750 YQZCTKSMZBTTEP-LLVKDONJSA-N 418.238 5.319 0 1 HKAF C[C@@H]1CCc2sc(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)cc2C1 587033777 MQXGHQMLRSLYSR-MRVPVSSYSA-N 415.278 6.198 0 1 HKAF Cc1nn(-c2cccc(-c3nc4c(C)c(Br)cnc4[nH]3)c2)c(C)c1Cl 587064760 FXWNFGKYGHTHHB-UHFFFAOYSA-N 416.710 5.152 0 1 HKAF COC(=O)c1ccnc2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc12 587074145 UAICKBYVLXMXAJ-OBGWFSINSA-N 417.896 5.571 0 1 HKAF Cc1ccc2c3c(cc(/C=C4\C(=O)N(C)c5ccccc54)nc13)-c1ccccc1C2=O 587096065 DCFLVLXGTXGHIT-HMAPJEAMSA-N 402.453 5.272 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1[nH]c3ccc(N)cc3c1CC4)-c1ccccc1C2=O 587098215 VZWWABMCWVNHCU-UHFFFAOYSA-N 401.469 5.584 0 1 HKAF O=C1c2ccccc2-c2cc(Cc3ccccc3Br)nc3cccc1c23 587101622 ITYGUBJUCLOLAP-UHFFFAOYSA-N 400.275 5.800 0 1 HKAF Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c2ccccc2n1CC(=O)O 587104307 GGKTZDIMOPQBDY-UHFFFAOYSA-N 418.452 5.461 0 1 HKAF Cc1nc2cccc3c2c(c1Cc1ccc(O[C@@H](C)C(=O)O)cc1)-c1ccccc1C3=O 587106076 IAAQZCWAYHXKRO-INIZCTEOSA-N 423.468 5.197 0 1 HKAF CC(C)COc1cc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2cc1Br 587173586 FPJPHZDSIGDXBU-GOSISDBHSA-N 405.267 5.176 0 1 HKAF Cc1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1 587179506 WRVBMSRNNWLJPC-UHFFFAOYSA-N 402.157 5.162 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(OCc3ccccc3)cc2[nH]1)C(C)(C)C 587206662 XQZQHFPJABNHBB-NRFANRHFSA-N 423.557 5.624 0 1 HKAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc3ccccc3cc2[nH]1 587231541 SCAVICDLIHOLLD-UHFFFAOYSA-N 422.488 5.605 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C[C@](C)(c2ccccc2)C3)c1 587366331 KZCFEMLJGUSPCI-LJAQVGFWSA-N 417.508 7.184 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccccc1O[C@@H]1C[C@H]4CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O 587440140 ALPIDDNSAQOWOY-WFHDKTEJSA-N 418.533 5.778 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1OC1CCCC1)CC2=O 587460455 GEHUAROTMADRMI-QFIPXVFZSA-N 400.902 6.026 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(Cl)cc21 587463821 YZEYBEZPUNVVBT-RUZDIDTESA-N 418.876 5.452 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCc3nc(-c4cccnc4)sc31)CC2=O 587496830 VFJIVUNTESCXNO-HSZRJFAPSA-N 406.507 5.060 0 1 HKAF COc1cc(Cl)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC(C)C 587503359 UFFOBSRUAAMVKN-HXUWFJFHSA-N 400.902 5.721 0 1 HKAF Cc1ccc(C(=O)[C@@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521276 DXOYEHRGVPNQNV-NDEPHWFRSA-N 410.513 5.926 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1C(F)(F)F 587544467 DZLIWDOEOFGJQY-PXNSSMCTSA-N 404.315 5.253 0 1 HKAF Cc1c(Cl)ccc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[nH]c12 587544530 FCGDIRSUJFYJPN-AUSIDOKSSA-N 405.837 5.538 0 1 HKAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C(F)(F)F)c1 587546361 JNDSHUSQDYWZNP-RXVVDRJESA-N 416.351 5.123 0 1 HKAF CC1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 587579873 AHRJZYVRGWIGQF-ZEQKJWHPSA-N 415.489 5.331 0 1 HKAF CCCC[C@@H]1Cc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587603931 QDGQONNAEGOYSD-KXVHNFKESA-N 400.474 5.612 0 1 HKAF Fc1ccc(SCc2c(-c3ccc(F)cc3)[nH]c3cc(Cl)c(F)cc23)cc1 587630516 JLMHDLXGPYZHQM-UHFFFAOYSA-N 403.856 7.198 0 1 HKAF COc1cc(C)c(Cl)c(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587691128 CETMTYYYCASFAU-OVWNDWIMSA-N 412.730 5.491 0 1 HKAF COc1c(C)cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587694207 PCYXQPRMTQFYTR-WLRWDXFRSA-N 412.730 5.356 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2ccccc2Cl)N1 587701978 YMKKBCDZTXIDRY-NSPYISDASA-N 410.714 5.264 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(C(F)(F)Cl)N1 587708074 XSOONQQBFHQCPL-APPDUMDISA-N 418.684 5.392 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)ccc(Cl)c2F)N1 587722357 YGVPHZPTMMTVAD-QPFGOUBPSA-N 404.657 5.318 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2Br)N1 587726316 IHNPXXDPWUHFGG-BCTVWOGZSA-N 417.091 5.113 0 1 HKAF CCCCC[C@]1(c2ccc(N)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587742503 AEQFFUHPZRGBAB-LHSJRXKWSA-N 405.355 5.529 0 1 HKAF CCCOc1cccc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 587777680 BRNLVGWDGVNNLV-UHFFFAOYSA-N 413.237 5.724 0 1 HKAF CCOc1cc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)ccc1C 587777771 DIWODBHLYIBUHG-UHFFFAOYSA-N 417.347 6.124 0 1 HKAF Nc1ccnc2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc12 587783956 JVCFIMABIWHNEI-UHFFFAOYSA-N 406.489 5.377 0 1 HKAF Cc1onc(-c2ccccc2)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587799539 ZUVZSBUGPUQHPK-XUSGNXJCSA-N 415.306 5.349 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1c(Cl)cc(F)cc1Cl 587853966 BSTNPUFJFUXOQK-UHFFFAOYSA-N 420.098 6.691 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccccc3)s2)N1 587854942 SPAKAGWBIHBNAJ-ZMZPIMSZSA-N 403.320 5.335 0 1 HKAF CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(OC(C)C)ccc2OC(C)C)n1 587946208 UKELRDWVKYNZDE-UHFFFAOYSA-N 417.506 5.273 0 1 HKAF C[C@]1(c2cccc(F)c2C(F)(F)F)NC2(CC2)Cc2ccc(Br)cc21 961613956 JKNRDCCPVZWQNA-QGZVFWFLSA-N 414.240 5.549 0 1 HKAF C[C@H](OC(=O)C[C@@]1(C)c2cccc(F)c2CCN1[C@H]1CCSC1)c1ccccc1 962696789 GWTLXZDGCCURFB-KDLAUNOPSA-N 413.558 5.099 0 1 HKAF C[C@]1(COc2cccc(Br)c2)c2ccsc2CCN1Cc1ccco1 962704150 IWOVZVPEDGBYJD-FQEVSTJZSA-N 418.356 5.456 0 1 HKAF COc1cccc2cc3c(nc12)[C@@H](c1cccc(OCc2ccccc2F)c1)NCC3 963050955 DELRAXRNTKGYFF-RUZDIDTESA-N 414.480 5.197 0 1 HKAF O[C@H]1CN[C@H](COCCCCCCCC/C=C/c2ccc(Oc3ccccc3)cc2)C1 1857537476 HGLFIKPJURHCIY-NSZVWUMLSA-N 423.597 5.962 0 1 HKAF COc1ccc(-c2ccc(Sc3ccccc3[C@H](CCC(=O)O)C(=O)O)cc2)cc1 1857640698 KSEPBMMZVPGILK-NRFANRHFSA-N 422.502 5.546 0 1 HKAF COc1cc2c(Nc3ccc(F)c(Cl)c3)c(N)oc2c(-c2ccc(F)cc2)n1 1857652784 AXFYBBGWHLPAAZ-UHFFFAOYSA-N 401.800 5.761 0 1 HKAF COc1ccc(-c2cc(O)c(CC=C(C)CCC=C(C)CCC=C(C)C)c(=O)o2)cc1 2356323695 FBTYSQKRYBWBHM-UHFFFAOYSA-N 422.565 6.983 0 1 HKAF CC(C)[C@H](C)[C@H](C)C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@H]3CC[C@]12C 2356439053 CMXHVJSZSBTYDB-FHNSZCNDSA-N 402.707 7.571 0 1 HKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@]4(C)C5=C(CC[C@H]4C3=CC[C@H]12)COC5=O 2356802196 RYESOEGRPGIGRS-WMFFSKFISA-N 412.570 5.372 0 1 HKAF O=C(Nc1ccc2ccccc2c1)N[C@@H]1CCCCN(Cc2cccc(Cl)c2)C1=O 199358720 SIWSHIWFZIWWPP-JOCHJYFZSA-N 421.928 5.196 0 3 HKAF COc1ccccc1Cc1c(C2CCCCC2)nc2c(C)cc(Br)cn12 199371834 YBEHKJXRCRALEA-UHFFFAOYSA-N 413.359 6.052 0 3 HKAF CCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12 13553389 GNYSGPZMUULBMF-UHFFFAOYSA-N 403.357 5.877 0 1 HKAF CCCN(c1nc(C)c(C)c(-c2ccc(Br)cc2)n1)C(C1CC1)C1CC1 26182414 DXBZAZZHAFBGOF-UHFFFAOYSA-N 414.391 5.928 0 1 HKAF CCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 28640975 LKKXBMNQCDPZQH-UHFFFAOYSA-N 420.638 5.719 0 1 HKAF COc1ccc(NC(=S)Nc2ccc3c(c2)nc(C)n3Cc2ccccc2)cc1 28651969 QKXTXVDSKWYPMZ-UHFFFAOYSA-N 402.523 5.211 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC[C@@H]1COC(C)(C)O1 28710874 CZMHRLSQLJOUTI-LRGPLKKISA-N 417.634 6.400 0 1 HKAF CCc1ccccc1[C@@H]1CCN(Cc2cccnc2)[C@@H](c2ccccc2)[C@H]1C(=O)O 28713124 HNTCEDXECGJJEQ-SDHOMARFSA-N 400.522 5.076 0 1 HKAF COc1ccc(CN2CCN(Cc3ccc(OC)cc3)C2c2cccc(Cl)c2)cc1 29132430 ZBBKOQXLJPVUCY-UHFFFAOYSA-N 422.956 5.374 0 1 HKAF CCCc1cc(=O)oc2c3c(c4c(c12)O[C@@H](c1ccccc1)C=C4)OC[C@H](C)C3=O 29133420 JZQJFDHWXUEDTM-KBXCAEBGSA-N 402.446 5.104 0 1 HKAF O[C@H](CNc1ccnc(Nc2ccc(Cl)cc2)n1)c1cccc(C(F)(F)F)c1 45321700 CBFWRSTXKPXFQC-MRXNPFEDSA-N 408.811 5.038 0 1 HKAF COc1ccc(/C(C)=C(\c2ccccc2)c2cc(OC)c(OC)c(OC)c2)cc1O 45375295 QEUWTUGZINHQCH-LFVJCYFKSA-N 406.478 5.406 0 1 HKAF COC(=O)c1[nH]cc(-c2c[nH]c3ccc(Cl)cc23)c1-c1c[nH]c2ccc(Cl)cc12 45498856 ADBVWUJBUGOHJH-UHFFFAOYSA-N 424.287 6.405 0 1 HKAF biogenic CC1CCN(c2nc(-c3ccc(Cl)cc3)nc3ccc(Br)cc23)CC1 64447399 PKJCOLASWPZBDM-UHFFFAOYSA-N 416.750 5.949 0 1 HKAF O=C1CS[C@H](c2cccs2)N1CCCNc1ccnc2cc(Cl)ccc12 72107207 GOYWVLORNJYXCU-LJQANCHMSA-N 403.960 5.026 0 1 HKAF CSc1nc(NCc2ccc(F)cc2)c2cnn(C[C@@H](C)c3ccccc3)c2n1 72123114 LKSDTUSIVJELJD-OAHLLOKOSA-N 407.518 5.103 0 1 HKAF CCCCCn1c(-c2ccccc2)nc2c(NCCc3ccc(F)cc3)ncnc21 82186987 PFPAAHLTQVUPAT-UHFFFAOYSA-N 403.505 5.477 0 1 HKAF O=C1C[C@H](c2ccccc2)Sc2ccccc2N1Cc1ccccc1Br 95585917 XBSXCPOBIZYWGY-OAQYLSRUSA-N 424.363 6.219 0 1 HKAF COc1ccc(/C=C2\C(C)=C(CCN3CCOCC3)c3ccccc32)c2ccccc12 100899923 YTNBOXUMZHVYLD-ZXVVBBHZSA-N 411.545 5.898 0 1 HKAF COc1ccc([C@]23Cc4ccccc4[C@@H](O2)c2c(cc(-c4ccccc4)oc2=O)O3)cc1 102867085 XKFOKEDGBLGUGQ-VPUSJEBWSA-N 424.452 5.223 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1ccnc(-c2ccccc2)c1 103258139 SWNXCEHTAHZOAO-OAQYLSRUSA-N 402.494 5.020 0 1 HKAF CCc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccc(F)cc2)cc1 104700638 FVFKPNCRACNDCI-QHCPKHFHSA-N 404.485 5.835 0 1 HKAF C[C@H](C1=NC[C@H](C)CC1)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118935344 HFOSABNORYNULM-MYRDXNBBSA-N 415.662 5.484 0 1 HKAF C[C@@H]1CCC([C@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)=NC1 118935902 JMSRDKIFVZVAMX-YWIAOGNGSA-N 413.646 5.404 0 1 HKAF CCC(CC)c1ccc(Cl)c2nc(Oc3c(C)cc(C#N)cc3Cl)n(C)c12 148599673 PBIMCDREYAOMPJ-UHFFFAOYSA-N 402.325 6.756 0 1 HKAF C[C@@H]1C[C@@H]1c1cc(NC(=O)Nc2cccc(Br)c2)n(-c2ccccc2)n1 204748756 ODWYWUPYYUEYGH-DYVFJYSZSA-N 411.303 5.402 0 1 HKAF C[C@H]1[C@H](C)CC[C@]2(C)C=C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 238754589 ZSEJPSTXLLEUQU-ACUMZOKISA-N 424.713 7.801 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@@H](C)CC(=O)[C@](C)(CCC(=O)O)[C@H]3CC[C@]12C 253669618 GOSURFASCRNOMA-KPDVHBRYSA-N 418.662 6.988 0 1 HKAF CCCN1N=C2/C(=C/c3ccc(OC)cc3)CSC[C@@H]2[C@H]1c1ccc(OC)cc1 253695092 MEEVCJNTBYJZIA-WSQLVENTSA-N 408.567 5.273 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C 255286489 YYVUMXYSCXRWIL-MHRJERTDSA-N 416.690 6.584 0 1 HKAF O=C(O)[C@H]1CC[C@H](CNc2nc(-c3ccccc3)cc(-c3cccc(F)c3)n2)CC1 299830847 YIZJQKICRWJBGD-SAABIXHNSA-N 405.473 5.253 0 1 HKAF Clc1ccc(Oc2ccc3nc(-c4ccc(OC5CCNCC5)cc4)oc3c2)cc1 473109129 PVQRNTPOHMALTF-UHFFFAOYSA-N 420.896 6.071 0 1 HKAF CC(C)CCOc1cc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1Br 586904905 WOKHEBKUWGTQHC-DNVCBOLYSA-N 415.331 5.319 0 1 HKAF CC(C)Oc1ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 586961511 VRVQXWDXZOECNF-GDLZYMKVSA-N 404.535 5.388 0 1 HKAF COc1ccc2[nH]c(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nc2c1 586984551 SHQYZBNIJPWPFE-UHFFFAOYSA-N 422.282 5.253 0 1 HKAF CCOC(=O)/C(=C\c1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989448 JEVIZGLTRXPHAM-ZHZULCJRSA-N 421.452 5.256 0 1 HKAF Brc1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1 587018371 XEGAQEVGOGOJCB-UHFFFAOYSA-N 422.311 5.741 0 1 HKAF Cc1ccc(-c2cc(-c3nc4c(C)cnc(Cl)c4[nH]3)c3cccc(Cl)c3n2)o1 587082793 UQYFIRZSIVCHCN-UHFFFAOYSA-N 409.276 6.357 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2F)c1 587142759 BYXGNUBEWFGNIT-UHFFFAOYSA-N 410.832 5.469 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccccn2)[C@@H]1c1ccc(F)cc1 587339954 RGYNMMJPOPVYNF-RSXGOPAZSA-N 411.432 5.229 0 1 HKAF C[C@@]1(c2ccc(O)c3ncccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344857 HMLTYYDBAOLCQO-DHLKQENFSA-N 415.420 5.059 0 1 HKAF CCO/C=C(/C(=O)OCC)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587364174 YKUPVCYSNXHGNZ-HMMYKYKNSA-N 417.461 5.597 0 1 HKAF C[C@]1(c2nc3ccccc3s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587371712 FTWDZBSTRQKEOV-OFNKIYASSA-N 405.450 5.415 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cccc(Br)c1)(C1CC1)CC2=O 587456811 BKLDPPZUZRUNAH-NRFANRHFSA-N 401.300 5.378 0 1 HKAF CN(C)/C=C\[C@]1(c2ccc(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587504053 IDZVYIMXXNOWFA-GBJNBNQZSA-N 416.348 5.808 0 1 HKAF COc1c(C)cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587546311 QEUYSTUHXGMFIJ-WMZHIEFXSA-N 410.853 5.240 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCC(F)(F)F)c1 587550330 UWNJXPLKTYVNNE-RXVVDRJESA-N 416.351 5.036 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1c2[nH]c2ccc(F)cc12 587573531 ZFFWESLNXJDXPU-BWKNWUBXSA-N 415.420 5.206 0 1 HKAF Cc1oc(-c2ccccc2)nc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588018 REWSFQUAGNWRNU-NLFFAJNJSA-N 413.429 5.233 0 1 HKAF CC1(C)O[C@H](c2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587617703 QNIYQDPILYQMLG-WATLYSKOSA-N 402.446 5.033 0 1 HKAF O=C(c1cc(-c2[nH]c3cc(F)ccc3c2-c2ccccc2)c[nH]1)C(Cl)(Cl)Cl 587633134 YJNHPMGQNBJXAZ-UHFFFAOYSA-N 421.686 6.522 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc(Cl)cc3)CC2)N1 587694943 HTMSLXALHNQVLE-CYBMUJFWSA-N 423.757 5.272 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cc(O)cc2Cl)N1 587695257 QQNLMYZVRFLYFO-GYKQLYQFSA-N 405.094 5.224 0 1 HKAF CC(C)C[C@@]1(Cc2cccc(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587704109 SFEKOZBFWDGVQH-QKKBWIMNSA-N 424.785 6.260 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)c(C(F)(F)F)c2)N1 587713117 RQAJXYDMJQXPSU-XYZCENFISA-N 420.219 5.544 0 1 HKAF CC[C@]1(c2ccccc2OC(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587713518 DLIGAPXBTZDUHL-NSPYISDASA-N 414.265 5.377 0 1 HKAF CCOc1ccc(OCC)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587778022 HMTPTIAMZGUIDZ-UHFFFAOYSA-N 400.784 5.579 0 1 HKAF COc1ccc([C@H](C)[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587810448 XLKDTLRBIRBKPO-BHVCSQLQSA-N 422.338 5.159 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)CCC3)(C(C)(C)C)N1 587812956 MFFYCJHAFQDSDD-LFVRLGFBSA-N 416.378 5.901 0 1 HKAF Cc1c(C)c(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C 587813447 CWZUSVXKQHXWDA-RKFFSXRUSA-N 404.367 5.928 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)Cc2ccccc2-3)N1 587815267 LOMXBUNLAARHNU-SHACYNPGSA-N 422.341 5.957 0 1 HKAF C/C=C/[C@]1(C2=C(C)C=CCC2(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587816007 SIXWYVGNVTUNEC-LZTHTDNRSA-N 404.367 6.196 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3cccs3)n2)N1 587852706 NCTKBIZAJFPAMB-WLRWDXFRSA-N 403.320 5.335 0 1 HKAF Oc1ccc(-n2c(O)cc(-c3c(Cl)cccc3Cl)c2O)cc1-c1ccccc1 587927434 UPICXNVPVVIHIL-UHFFFAOYSA-N 412.272 6.235 0 1 HKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587952634 UYXZFLVTZBWTLB-GYSYKLTISA-N 419.285 6.391 0 1 HKAF CC[C@]1(Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)CC(=O)c2ccccc2C1 587961079 PTNLFSOIABZSSV-AREMUKBSSA-N 410.521 5.162 0 1 HKAF CCOc1ccccc1-n1cccc1[C@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962703540 NBSDPZCRBIQXHE-AVRWGWEMSA-N 422.569 5.468 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]2(c1ccc(Cl)nc1)c1cccc(F)c1F 963086591 BASTYCGPVPSXFO-GAJHUEQPSA-N 414.858 5.465 0 1 HKAF Clc1cc(Cl)cc(CCN2CCC[C@@H](c3nc4ccc(Cl)nc4[nH]3)C2)c1 1772637667 UOUCBDPVUVOBCP-CYBMUJFWSA-N 409.748 5.340 0 1 HKAF Cc1cccc(Nc2ncnc3ccc(NC(=S)NCc4ccccc4)cc23)c1C 1772639605 RMMZAAQVCSGOHX-UHFFFAOYSA-N 413.550 5.477 0 1 HKAF COCc1ccc(C(C)=O)c2sc(C(=O)Nc3ccc4ccccc4n3)c(C)c12 1772654444 IDQWJMSEANBNGL-UHFFFAOYSA-N 404.491 5.359 0 1 HKAF CC(C)(Oc1ccc(NCc2ccc(OCc3ccc(F)cc3)cc2)cc1)C(=O)O 1857584490 AXSFWQSWCYLTLQ-UHFFFAOYSA-N 409.457 5.259 0 1 HKAF Fc1ccc2[nH]cc(CCCN3CCN(c4ccccc4-c4ccccc4)CC3)c2c1 1857774267 IDAPODLHCQBQIS-UHFFFAOYSA-N 413.540 5.729 0 1 HKAF CC1(C)CC[C@]2(C)CC=C3[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]2C1 2356602899 OZQWSBFSSQJLEC-ZGPATLDMSA-N 410.686 7.987 0 1 HKAF C[C@@H]1CC[C@@]2(C[C@@H]3[C@@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)O2)OC1 2356629711 OEWYCDKCYLIWJV-MLFFCKHTSA-N 402.619 5.548 0 1 HKAF CC(=O)O[C@@H]1C=C2[C@H](CC[C@]3(C)[C@H]2CC=C2CO[C@H](O)[C@@H]23)[C@]2(C)CCCC(C)(C)[C@@H]12 2356799245 UFDBXWQFWFNVOO-LRFAXKDGSA-N 414.586 5.018 0 1 HKAF C[C@@H](C=C[C@@H](O)C(C)(C)O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356801888 RTPRSWIVZNTVHX-FNBLEXDZSA-N 416.646 5.250 0 1 HKAF Cc1ccc(S[C@H](c2ccccc2)[C@@H](Cn2cncn2)C(=O)c2ccccc2)cc1 630012 GDETUBNMIJXRHY-UKILVPOCSA-N 413.546 5.619 0 3 HKAF aggregator COc1ccccc1CNc1nc(NC(C)C)nc2cc(-c3ccccc3)sc12 61897371 XSJUPPAZENUBFM-UHFFFAOYSA-N 404.539 5.799 0 3 HKAF COc1cccc([C@@H](NC(C)=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1 61908710 MSXSONOFCFQQBZ-GOSISDBHSA-N 406.429 5.063 0 3 HKAF CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(OC)cc3Cl)nn(C)c12 13553449 MBZAQMHNUYHHRW-UHFFFAOYSA-N 414.981 6.012 0 1 HKAF CC(=O)N1c2ccc(NC(=O)COC(C)(C)C)cc2[C@@](C)(c2ccccc2)CC1(C)C 13611348 FXRVLZMVHRWGFU-AREMUKBSSA-N 422.569 5.281 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[C@@H](P(=O)(O)O)[P@](=O)(O)CO 13742080 WLNRYRXVHPIXBF-BJWJESAKSA-N 422.439 5.300 0 1 HKAF CCCCCC12CCC(c3nnc(-c4ccccc4C(F)(F)F)n3C)(CC1)CC2 28530985 VPHWCVUMWQOWOK-UHFFFAOYSA-N 405.508 6.673 0 1 HKAF CC[C@@H](C(=O)O)[C@H]1CCc2cc(OCCc3c(-c4ccccc4)noc3C)ccc21 28563415 ZBVFQLFYXGPTBW-NFBKMPQASA-N 405.494 5.412 0 1 HKAF CNc1ccc(/C=C/c2ccc(-c3nc4ccc(OCCF)cc4s3)cc2)cc1 29128419 YWMAAORIMDGZHX-NSCUHMNNSA-N 404.510 6.524 0 1 HKAF C(=C1/CCC[C@@H]2C1=NN(CCCN1CCOCC1)[C@@H]2c1ccccc1)\c1ccccc1 33955231 OQJLLWQBHIUEHH-HOIGYIGKSA-N 415.581 5.005 0 1 HKAF O=c1cc(NCCCNCc2cc(Cl)c(Cl)cc2Cl)[nH]c2ccccc12 45167741 CKQZZMMAHTZJHZ-UHFFFAOYSA-N 410.732 5.080 0 1 HKAF COc1ccc(-c2cc([C@@H]3CCC[C@H]3C(=O)NC3(c4ccccc4)CCC3)no2)cc1 45316746 OEJVMYDTIYPUBG-FGZHOGPDSA-N 416.521 5.430 0 1 HKAF O=C(O)[C@@H]1N=C1/C=C/CCCCCCCCCC=C(Br)Br 59203986 XWKHPPWOUIGVPT-SLZMIMFISA-N 421.173 5.593 0 1 HKAF in-vitro COc1cc(N[C@H](C)CCCN)c2nc(C(F)(F)F)cc(C)c2c1-c1ccccc1 66100430 RTNWOPWVTWPXDA-OAHLLOKOSA-N 417.475 5.777 0 1 HKAF COc1ccccc1C(=O)N[C@@H](C(=O)Nc1c(C)cccc1C)c1ccc(Cl)cc1 71341711 NMKAIDSFYFAUCA-JOCHJYFZSA-N 422.912 5.075 0 1 HKAF CCCCOc1ccc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n[nH]2)cc1OC 73159189 JDPMFNCGWIHFRK-JMQWPVDRSA-N 420.509 5.652 0 1 HKAF Cc1ccccc1-c1nc(N2C[C@@H](C)C[C@H](C)C2)ncc1-c1nc2ccccc2s1 82177467 VFMPRFDYCLCOTN-IRXDYDNUSA-N 414.578 6.211 0 1 HKAF Cc1c(Cl)c(O)c2c(c1C=O)O[C@@](C)(/C=C/[C@]1(C)[C@H](C)C(=O)CC[C@H]1C)CC2 84548923 KWVYJSFOCKXTCX-NXXWJHAISA-N 404.934 5.448 0 1 HKAF Cc1ccc(-c2nc3sc(C)cn3c2/C=C2/C(=O)Nc3cc(C)c(O)cc32)cc1 84727623 HJMIJFFYMUDUJG-RQZCQDPDSA-N 401.491 5.186 0 1 HKAF CCCC[C@H]1CC[C@](CCc2ccc(O)c(OC3CCCC3)c2)(OC(C)=O)C[C@H]1O 85627618 AODKBWKXEGJSHL-ZWSUVBHBSA-N 418.574 5.299 0 1 HKAF biogenic,in-vitro FC(F)(F)c1cccc(-n2c(COc3ccccc3)nnc2SC2CCCC2)c1 95598351 KRAOEVADFOTMSV-UHFFFAOYSA-N 419.472 5.900 0 1 HKAF OC1=C2C(=Nc3nc(SCc4ccccc4)nc(O)c3[C@H]2c2cccs2)CCC1 100704926 MYPJFGMZDQXSLE-SFHVURJKSA-N 421.547 5.750 0 1 HKAF CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccsc2)C2=C(O)CCCC2=N1 103950170 FKUPTPMJAXZPHS-OAQYLSRUSA-N 409.507 5.179 0 1 HKAF CC(C)C[C@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 119290006 FHSVMYDBGPVTTJ-FBXAZSHTSA-N 420.678 5.410 0 1 HKAF in-man CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](CO)CC[C@]4(C)[C@H]3CC[C@@]21C 139801718 XECDPPSJTBYLQR-BAENYUHTSA-N 402.707 7.572 0 1 HKAF C[C@H](Nc1nccc(N2C(=O)OC[C@]2(C)c2ccccc2)n1)c1ccc2ccccc2c1 142057212 SPJPSMORQMJUML-HFJWLAOPSA-N 424.504 5.675 0 1 HKAF NC[C@@H](c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1)C1CCCC1 164927058 HGZMHPCCIFOABP-GOSISDBHSA-N 404.535 5.348 0 1 HKAF CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccsc2)[C@H]2C(=O)CC(C)(C)CC2=N1 169690631 AREMHURATKVOOF-NHCUHLMSSA-N 410.514 5.343 0 1 HKAF COc1ccccc1[C@@H]1C2=C(Sc3ccc(Cl)cc31)c1ccccc1OC2(C)C 199987756 VPYHXFPNNDZRAB-QFIPXVFZSA-N 420.961 7.169 0 1 HKAF CC(C)=CCC/C(=C/CC/C(C)=C\CC[C@]1(C)C=Cc2cc(O)cc(C)c2O1)C(=O)O 204040331 QKXAGRZCXAYBQX-FZOQNIMRSA-N 424.581 7.129 0 1 HKAF Brc1ccc2nc(-c3ccccc3)cc(NCCCN3CCCCC3)c2c1 208042429 GPSBQJDMCPOURY-UHFFFAOYSA-N 424.386 5.952 0 1 HKAF COc1cc(C)c2c(c1)CC[C@@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O2 220623679 MLDWXXNWZJMFMZ-BLOHLNEFSA-N 410.642 8.287 0 1 HKAF C=C/C(C)=C/C=C/[C@@]1(C)C[C@@H](OC(=O)/C(C)=C\C)[C@H](OC(=O)/C(C)=C\C)C(C)(C)O1 238731833 HBANHAYXQYVIAZ-NDFKNBJLSA-N 416.558 5.389 0 1 HKAF CCO[C@@H]1CC(=O)O[C@@H]2CC(=O)C[C@]12C/C=C(\C)CC/C=C(\C)CCC=C(C)C 238770590 BOVUSYWJRLVHHQ-VHVPNAOWSA-N 402.575 5.866 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(Cl)c(Cl)cc3F)nc3ccc(O)c1c23 586986253 JZFGCGXZNNSGDU-UHFFFAOYSA-N 410.231 6.265 0 1 HKAF c1csc(SCc2c(-c3nc4cc5cn[nH]c5cc4[nH]3)oc3ccccc23)c1 587012568 ZFNLMKJTUJZZDB-UHFFFAOYSA-N 402.504 6.206 0 1 HKAF Clc1cccc(-c2nc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)cs2)c1Cl 587014080 JFWFZJVXRKDIMJ-UHFFFAOYSA-N 416.120 6.362 0 1 HKAF CC(C)Oc1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1 587016357 AEDSYYIJDLEKSH-UHFFFAOYSA-N 401.495 5.765 0 1 HKAF COC(=O)c1ccc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 587072769 WMHGTIIVQKMSMT-YFJCXSBHSA-N 415.320 6.022 0 1 HKAF Clc1ccc(C2(c3nc4ccc(I)cc4[nH]3)CCC2)cc1 587073533 GOZAZHIEZVKVRZ-UHFFFAOYSA-N 408.670 5.291 0 1 HKAF Clc1ccc(C2=C[C@H](c3nc4cccc(OCc5ccccc5)c4[nH]3)ON2)cc1 587076647 NESYKIJNXRCEGW-OAQYLSRUSA-N 403.869 5.412 0 1 HKAF C/C=C/C[C@@H]1Cc2nc3c(C)ccc4c3c(c2[C@H]1CC(=O)OC)-c1ccccc1C4=O 587097877 ORWGZDNAVXGBAS-CGJGEUGISA-N 411.501 5.540 0 1 HKAF CCc1ccc(-c2nc3c(C)ccc4c3c(c2CCC(=O)O)-c2ccccc2C4=O)cc1 587099961 BLFXXDZSOUFQTI-UHFFFAOYSA-N 421.496 6.001 0 1 HKAF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(Oc4ccccc4)cc3[nH]2)C(F)(F)C1 587132082 JBYUPQXTSHRBKB-MRXNPFEDSA-N 415.440 5.325 0 1 HKAF O=C(O)c1ccc(-c2cc(-c3nc4ccc5ncccc5c4[nH]3)ccc2F)cc1F 587138700 QXQZYDVQTPTQDR-UHFFFAOYSA-N 401.372 5.422 0 1 HKAF c1ccc(COc2cccc3nc(CN(Cc4ccccc4)c4ccccc4)[nH]c23)cc1 587194994 ALYLWWWKUFNXMZ-UHFFFAOYSA-N 419.528 6.349 0 1 HKAF Cc1ccc(Cl)c2c1[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332060 QQGYXTGWBWAZSA-QPPBQGQZSA-N 424.855 5.530 0 1 HKAF C[C@]1(c2ccc(C(F)(F)F)nc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333447 VZNOCPBKAXDXPT-TZIWHRDSSA-N 417.358 5.219 0 1 HKAF COc1cccc(-c2cc(-c3cc(C(F)(F)F)n(C)n3)nc3c2oc2ccccc23)c1 587360915 UEZOGOIBAJLXAS-UHFFFAOYSA-N 423.394 6.076 0 1 HKAF COc1cccc(-c2cc(-c3cnc(S)nc3O)nc3c2oc2ccccc23)c1 587365329 LKAPSFKOHBRAOH-UHFFFAOYSA-N 401.447 5.108 0 1 HKAF Cc1ccc2c(c1)[C@]1(CCS2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587371423 DNVMXYCEZVPEJF-VWNXMTODSA-N 406.478 5.590 0 1 HKAF COc1ccc([C@@]2(c3ccc(Cl)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587378175 MSWBLQAWRPAKMJ-DEOSSOPVSA-N 423.896 5.157 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(F)cc3)nc3c(C)cccn13)O2 587384030 JELFJCGTTOLWRC-FQEVSTJZSA-N 401.441 5.046 0 1 HKAF COc1cc2c3c(c1)O[C@@](CCCC(=O)c1ccccc1)(c1ccccc1)[C@@H](C2)C3=O 587444555 VGCOFNCSXGZVKM-CUNXSJBXSA-N 412.485 5.391 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(OCc3ccccc3)cc1)CC2=O 587481803 SGSIWFWSUJAACK-MHZLTWQESA-N 416.517 6.194 0 1 HKAF C[C@]1(c2oc3ccccc3c2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587500800 YCKJPUTWEIFMPK-JOCHJYFZSA-N 411.295 5.955 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(Cl)c2)o1 587542858 AKCURCUKPDQRLQ-ZJSXRUAMSA-N 418.832 6.009 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCNc3cc(Cl)ccc32)N1 587698530 OOLHVKAXNACUFR-WYRIXSBYSA-N 409.730 5.225 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2Br)N1 587726301 ICLCJLOBDVZPOX-PWJLMRLQSA-N 417.091 5.113 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2Cc2ccccc2F)N1 587729655 WKVZQJVLFIRYOU-YEJXKQKISA-N 417.297 5.201 0 1 HKAF CCOc1cccc(OCC)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587801388 KZFHKOOBXIUEHX-ZSEKCTLFSA-N 422.338 5.183 0 1 HKAF CCOc1ccc(OCC)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587803526 WWMXSNJAXSNEGZ-YUNKPMOVSA-N 408.311 5.009 0 1 HKAF C/C=C\[C@]1(C2=C(C)CCCC2(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587815211 KSHMBCKOWSSKTK-PIKTXBHYSA-N 406.383 6.420 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SC3CCCCC3)o2)N1 587845002 QATZCQKSEGPUSP-ODXCJYRJSA-N 424.379 6.230 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(Cl)c(Cl)cc1Cl 587869043 YTQKDHIDBXYWOM-UHFFFAOYSA-N 423.609 5.317 0 1 HKAF CSc1ccc(-c2csc([C@H](C)Cn3nc(C(F)(F)F)cc3C3CC3)n2)cc1 587924794 JTVZRRACDVJWRK-GFCCVEGCSA-N 423.529 6.428 0 1 HKAF c1ccc(COc2ccc3nc([C@H](Cc4ccccc4)c4ccccc4)[nH]c3c2)cc1 587955550 NEDGIXSSHFRBRI-RUZDIDTESA-N 404.513 6.517 0 1 HKAF Cc1c(F)ccc2c1[C@@H](c1c(-c3ccc4c(c3)CCCC4)[nH]c3ccccc13)NCC2 962092092 LTGUOZKGDNZSKW-NDEPHWFRSA-N 410.536 6.396 0 1 HKAF CCOC(=O)N[C@H](c1ccccc1)[C@@H]1CCCC[C@@]12NCCc1ccc(F)c(C)c12 962376654 QAEPXWVREPUKJD-QUURXOELSA-N 410.533 5.153 0 1 HKAF COc1cc2c(cc1OC)[C@@](c1ccc(F)cc1F)(C1CCCC1)N(C)[C@H](C)C2 962624089 DHCPJWFTKGEAEF-MYYSRTQBSA-N 401.497 5.292 0 1 HKAF CC(C)C[C@H](c1ccccc1)[C@@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962702693 SMJJOMAGHWTLFX-YSGRDPCXSA-N 409.423 5.314 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCc2ccccc2)(c2ccccc2Cl)N1 962941815 FDBXDOJCUNWYKO-NFQMXDRXSA-N 414.980 6.622 0 1 HKAF Clc1cc(Cl)c2c(c1)[C@@H](c1cc(-c3ccc(Br)cc3)no1)NCC2 963115270 ZYJBJGUTHIGNBN-SFHVURJKSA-N 424.125 5.646 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)s1 1772601018 BIOPCTUDEMPXPI-UHFFFAOYSA-N 419.937 7.083 0 1 HKAF Cc1cc(O)c(C)c2c1O[C@H](C)[C@H](CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)C2 2356329202 XLZYQCZUAFIJEN-ZNDGRNAPSA-N 416.690 8.388 0 1 HKAF C[C@@H]1Oc2c(c3c(c4oc(=O)cc(-c5ccccc5)c24)C=CC(C)(C)O3)[C@@H](O)[C@@H]1C 2356537914 KZWMARGPANIIPZ-YPENRWOSSA-N 404.462 5.095 0 1 HKAF C[C@H](CO)CC[C@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356543813 YDFJGPFMKWECQA-XOKMJLEPSA-N 418.662 5.332 0 1 HKAF CC[C@@H](C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356623024 QZEVHCZWWYKVHL-PYYRWUFESA-N 412.702 7.801 0 1 HKAF Cc1cc(O)cc2c1C[C@]1(O2)[C@H](C)CC[C@@H]2[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]21C 2356799828 UWYFEQBOCMFYPZ-MYDLLFFRSA-N 412.614 6.024 0 1 HKAF CS(=O)(=O)c1ccc(-c2oc3ccccc3c(=S)c2-c2ccc(F)cc2)cc1 3814540 XQVVDFDAGQNXNT-UHFFFAOYSA-N 410.491 6.039 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c2c(O)c3c(cc12)C[C@@](C)(O)CC3=O 5601461 XDCYRXRRQCNEGZ-AJQOZTQRSA-N 410.510 5.072 0 1 HKAF C[C@@H]([C@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C 6030273 RJNWIZNQHVCLDL-JKZAVGATSA-N 414.722 6.306 0 1 HKAF O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCCCC3)cc12 13454334 CQUBQMZYVNPVPN-UHFFFAOYSA-N 405.538 5.885 0 1 HKAF O=C(O)CCCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)cc1=O 13727541 ZAPJIEOEJFTHQJ-UHFFFAOYSA-N 404.510 5.393 0 1 HKAF CC1(C)CCCCCCCCC[C@](C)(CCCCCCCCCCCCO)C1=O 17259696 DDVIVCCZIQBRGI-MHZLTWQESA-N 408.711 8.396 0 1 HKAF CCO[C@@H]1C[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC[C@H]3c3ccoc3)[C@@]21C 27408596 VCYLUBLAOSWYSI-UKCWTKHPSA-N 422.609 6.712 0 1 HKAF CCCCCc1ccc(/C=C/C(=O)Nc2cccc3ccc(-c4nnn[nH]4)cc23)cc1 28003808 LLQPCGSXHFGKFV-DTQAZKPQSA-N 411.509 5.405 0 1 HKAF Brc1ccc2[nH]cc(Cc3c[nH]c4ccc(Br)cc34)c2c1 28949188 QUNVWKDXAHYQTO-UHFFFAOYSA-N 404.105 5.765 0 1 HKAF Cc1cc(NC(=O)C2CCCCC2)nn1Cc1cc(Cl)ccc1OCC(C)C 29043624 FOPQFZDJWNIPBZ-UHFFFAOYSA-N 403.954 5.447 0 1 HKAF Cc1cn(-c2ccc(C(N)=O)c(N[C@@H](C)c3ccccc3)c2)c2c1C(=O)CC(C)(C)C2 36741079 NLNSDRQTOQJSSZ-KRWDZBQOSA-N 415.537 5.213 0 1 HKAF CC(C)(C)c1ccc(COC[C@@H](Cn2cncn2)c2ccc(Cl)cc2Cl)cc1 39033590 VVYQCVTVDSRGKM-QGZVFWFLSA-N 418.368 5.883 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H](NC5CCCCCC5)C[C@@]43C)[C@@H]1CC[C@@H]2O 40953985 DNGLJUQHZRSKJM-FHPBCDNASA-N 403.651 5.042 0 1 HKAF O=C(CSc1snnc1-c1ccc2ccccc2c1)Nc1ccccc1Cl 45259659 NHMADNRZPPTTHY-UHFFFAOYSA-N 411.939 5.743 0 1 HKAF Cc1cccc2nc(-c3ccc(-c4ccc(NC(=O)c5cncn5C)cc4)s3)[nH]c12 45324901 MQBDYHXWPZRPML-UHFFFAOYSA-N 413.506 5.253 0 1 HKAF O=C(Nc1ccc(-c2ccccc2)cc1)Nc1cccc(OCCN2CCCC2)c1 45366060 BYYDKVTWNRYIRR-UHFFFAOYSA-N 401.510 5.472 0 1 HKAF Cc1cc(C)c(-n2c(Cl)cn3c(CN4CCCCC4)c(C(F)(F)F)nc23)c(C)c1 49035474 PZVJWVZLYDXGAQ-UHFFFAOYSA-N 424.898 5.708 0 1 HKAF C[C@@H]1[C@@H]2[C@]3(C)CC[C@H]4C(=CC[C@@H]5C(C)(C)C(=O)CC[C@@]54C)[C@@]3(C)CC[C@@]2(C)CC[C@H]1C 59586286 JUMCLWDAFILWKD-KAQIMRSASA-N 424.713 8.233 0 1 HKAF biogenic,in-vitro C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@](C)(N)Cc1ccccc1 64453552 BDABBIOLBQUHFI-HABHWETFSA-N 407.642 5.886 0 1 HKAF C[C@H](Nc1cc(-c2[nH]c([S@](C)=O)nc2-c2ccc(F)cc2)ccn1)c1ccccc1 71316802 LDYVDKCSGKMMHS-INCQDFKNSA-N 420.513 5.188 0 1 HKAF Brc1ccc([C@@]2(Cc3ccccc3)c3ccccc3-c3nccn32)cn1 72109389 GPGVMZLHRUEVAN-QFIPXVFZSA-N 402.295 5.056 0 1 HKAF O=C(CCN1CCC(c2ccccc2)CC1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F 73224991 HCBGHLFVHFXNAF-OAQYLSRUSA-N 424.894 5.329 0 1 HKAF O[C@H](c1cccc(OCc2ccccc2)c1)c1nnc(Nc2ccccc2Cl)s1 82081813 UPBIRDBMOZPNLH-HXUWFJFHSA-N 423.925 5.596 0 1 HKAF COCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(F)cc2)n1 82165037 LKAXQVITYLGEKG-UHFFFAOYSA-N 406.486 5.132 0 1 HKAF COc1ccc2c(/C=C/c3ccc(OC(C)=O)cc3)c(-c3ccccc3)c(=O)oc2c1 95590573 LBFBHUHDLCQIFQ-GXDHUFHOSA-N 412.441 5.564 0 1 HKAF Oc1ccc(CSc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)cc1 96939338 QXHDUEHKZBMGQM-UHFFFAOYSA-O 420.642 7.266 0 1 HKAF Cn1cc(CCC(=O)NCc2c[nH]c3ccc(Cl)cc23)c2cc(Cl)ccc21 98084342 WUVBIOYVNVNBDA-UHFFFAOYSA-N 400.309 5.215 0 1 HKAF CCCCCC(=O)OC1=C(c2cccc3ccccc23)Oc2ccccc2[N+]2=C1CC=C2 101020496 YBODNBHFOYDKNP-UHFFFAOYSA-N 424.520 6.727 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 119291385 WOVIRZFRRNEFES-CGYLIBCHSA-N 414.718 8.313 0 1 HKAF in-man c1ccc(CNc2n[nH]c3ccc(-c4nnn(Cc5ccccc5)c4C4CC4)cc23)cc1 146298960 MPDOGXPNSZOERG-UHFFFAOYSA-N 420.520 5.359 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@H]1/C(=C/c1ccc(-c4ccc(OC)cc4)cc1)CN2C3 169314162 AMHYXJZDPUGVJV-UMRRQABHSA-N 417.549 5.039 0 1 HKAF CCCCC[C@H](C)[C@H](C)c1cc(OCC2CC2)c2c(c1)OC(C)(C)c1ccncc1-2 169347740 MRLUGCSTUIYFTK-OALUTQOASA-N 407.598 7.485 0 1 HKAF O=C(Nc1ccc(-c2ccccc2)s1)NC1CCN(C/C2=C\CCCCCC2)CC1 169362999 XYILJCFIFJAYMS-UKWGHVSLSA-N 423.626 6.282 0 1 HKAF CCC(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)=C(C)C 255268846 STLJXSQSUAPXFX-AMOSEXRZSA-N 412.702 8.089 0 1 HKAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1 586916419 YUWJITVGMWLLNE-UHFFFAOYSA-N 400.221 5.033 0 1 HKAF CC(=O)Nc1ccc2c(c1)CCc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O 586995891 KBALBLMHVYQDAB-UHFFFAOYSA-N 404.469 5.479 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4cc(OCCN(C)C)ccc4[nH]3)cc2)n1 587020541 BEEVPQGOXKSMKT-UHFFFAOYSA-N 424.595 5.228 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c21 587032057 YJKXYMCSRMCRON-NSHDSACASA-N 413.449 5.843 0 1 HKAF Cc1cnc2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2c1 587064157 NKIBUEUQBUUQGF-UHFFFAOYSA-N 402.885 5.620 0 1 HKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)cc(Br)c2[nH]1 587070757 WOASLNBQFQGZRU-SECBINFHSA-N 412.114 6.009 0 1 HKAF C[C@H](c1nc2c(Br)cnc(Cl)c2[nH]1)c1ccccc1C(F)(F)F 587098151 RQRQJGAVEUDIOV-ZETCQYMHSA-N 404.617 5.544 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1ccc(Br)cc1CC3 587102083 PILATGQIROBLDR-UHFFFAOYSA-N 412.286 5.974 0 1 HKAF Cc1nc2cccc3c2c(c1Cc1ccc(Cl)c(Cl)c1)-c1ccccc1C3=O 587104993 ZXYIIOZBUUYQTF-UHFFFAOYSA-N 404.296 6.652 0 1 HKAF Fc1ccccc1-c1cccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 587148374 CBRSWQXKUQFVCZ-UHFFFAOYSA-N 401.666 6.452 0 1 HKAF Cc1ccn2c(C)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)nc2c1 587335638 HZBJAKDYUULKMV-RCZVLFRGSA-N 416.452 5.070 0 1 HKAF C[C@@]1(c2ccc(F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335781 OWESEZPWPZDMLX-IRLDBZIGSA-N 400.808 5.598 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](Cn2cncn2)CCCC3)c1 587363986 RIVADZAFYOIWDA-SFHVURJKSA-N 424.504 5.758 0 1 HKAF COc1cccc(-c2c(CCC(=O)O)c(-c3ccccc3)nc3c2oc2ccccc23)c1 587365953 JSQCPCFGKKOJQF-UHFFFAOYSA-N 423.468 6.341 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCC[C@@H]1c1ccccc1C(F)(F)F)O2 587383382 WMQKPMJHNMAGNC-VGOFRKELSA-N 403.444 6.048 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(Br)cc4)o1)[C@@H](C2)C3=O 587417109 ITKQZFVNTMLGET-BTYIYWSLSA-N 411.251 5.206 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(COc4cc(C)c(Cl)c(C)c4)o1)[C@@H](C2)C3=O 587420309 IBEZZZKUCLZKTO-MHECFPHRSA-N 424.880 5.626 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(c1cccc(Cl)c1)CC2=O 587460962 JLGPNDHFDZHOEK-VWLOTQADSA-N 422.908 5.916 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(CN(CC)CC)c1)CC2=O 587467130 CUNXPJOSMIDJAN-RUZDIDTESA-N 411.542 5.076 0 1 HKAF CSc1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(F)c2)cc1 587503505 HGALTBOZEICZNV-RUZDIDTESA-N 418.533 6.800 0 1 HKAF COc1ccc2c(c1)CC[C@@H](c1ccccc1)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587521084 AJBPSFNZOUWQIP-SVEHJYQDSA-N 424.540 6.165 0 1 HKAF Cc1c(Cc2ccc(Cl)cc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12 587621855 MBTUGUJRLXNQIN-UHFFFAOYSA-N 409.114 6.013 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c([C@H](C(=O)O)c3ccc(Cl)cc3)c2c1 587639583 ACQAWNXEJUVDPF-WAIKUNEKSA-N 417.936 7.218 0 1 HKAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(F)(F)F 587712613 PSRWOIJEZJOEAV-XLFHBGCDSA-N 418.228 5.239 0 1 HKAF Cc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC(F)F 587718237 NIOBBGDZKQPXOO-MGPLVRAMSA-N 400.238 5.122 0 1 HKAF Cc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587751792 ATPNLHYFWJTISJ-QRQCRPRQSA-N 413.334 5.619 0 1 HKAF CC(C)CCOc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587790035 DTMPPKKIGWHOHR-SPLOXXLWSA-N 406.339 5.637 0 1 HKAF CC[C@H](C)Oc1c(OC)cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587794543 OVQDDLJWGXEYKO-KQHSUYLTSA-N 422.338 5.398 0 1 HKAF CCOc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)CCC2 587801155 JDAPUTDUUGUGPV-QKVFXAPYSA-N 404.323 5.099 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]2CCc2ccccc2)N1 587818877 GDTUIVJHGRUHRC-YBOAYWMSSA-N 402.351 5.751 0 1 HKAF Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)sc2ccccc12 587851402 BRIIXGUAZUNQIH-PRWKNARSSA-N 404.348 5.909 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3cccs3)cc2)N1 587852877 NVOYZJJGFQPYOT-ZSEKCTLFSA-N 416.359 6.114 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(C(C)(C)C)cc1 587862119 FFHLEKZOLIEHDY-UHFFFAOYSA-N 402.416 5.564 0 1 HKAF O=C(c1sccc1OCc1ccc(F)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587873794 MVCGIAQNJPINJU-UHFFFAOYSA-N 410.401 5.263 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cncc(C)c2[nH]1 587961592 UTGOSVVVLBCBBO-ZACMJQCDSA-N 417.641 8.121 0 1 HKAF CCOC(=O)CCCC[C@]1(C(C)C)NC2(CC2)Cc2ccc(Br)cc21 961618178 XSGUUELSFYNOGU-OAQYLSRUSA-N 408.380 5.102 0 1 HKAF CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](C1)C21NCCc2cc(-c3ccccc3)ccc21 962663640 HBZZTYYXUKVSHZ-APBVPVKBSA-N 418.581 5.362 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](Cc2ccccc2Cl)(c2csc(C)c2)N1 962945149 IZIIMJNPKXEICI-CLOONOSVSA-N 421.009 6.602 0 1 HKAF Fc1cccc2c1[C@](c1ccc(Br)cc1)([C@@H]1CCCO1)N1CCC[C@@H]1C2 963116981 YKLAXALZJINEOB-CBQOVEMMSA-N 416.334 5.031 0 1 HKAF CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@H]1C[C@@H]1c1ccc(F)cc1 1857592754 HKDMXVFAYYQTRF-FYYLOGMGSA-N 421.560 5.333 0 1 HKAF Cc1ccc(CC(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)cc1 1857615463 LRWXGIDJANFCGZ-UHFFFAOYSA-N 421.294 5.747 0 1 HKAF Cc1ccc2nc(N3CCCc4ccc(F)cc4C3)cc(NC[C@H]3CCCCN3)c2c1 1857633452 QPQVDWJAVLAHGC-JOCHJYFZSA-N 418.560 5.189 0 1 HKAF CCCOc1ccc(-c2cc(OCCN3CCCCC3)c3c(OC)cccc3n2)cc1 1857637830 ULCOURPOWKMCRY-UHFFFAOYSA-N 420.553 5.564 0 1 HKAF CC(C)(C)c1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O 1857648782 QPVPKSUKXFWZTD-UHFFFAOYSA-N 422.613 5.382 0 1 HKAF Clc1ccc(COc2cncc(-c3ccc(CN4CCCC4)s3)c2)c(Cl)c1 1857653066 KDTLLOGEFFLSTH-UHFFFAOYSA-N 419.377 6.292 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]45C[C@H](O)CC[C@@]4(C5)C3=CC[C@@]12C 2356435318 BSDPKBFUXWNFKP-YJTHUTKLSA-N 410.686 7.555 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@H](CO)CC[C@]4(C)[C@@H]3CC[C@@]12C)C(C)C 2356575852 DIHBDVABCMVSNH-UXFHGCHUSA-N 414.718 7.738 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C=C[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356604615 BDCFUHIWJODVNG-PYYRWUFESA-N 412.702 7.801 0 1 HKAF CC1(C)OC[C@]2(C[C@@]34CC[C@]5(C)[C@](C)(C(=O)O)CCC[C@]5(C)[C@@]3(C)CC[C@H]2C4)O1 2356658051 DAKMSHJUXZBDNR-LTXAGEMKSA-N 404.591 5.786 0 1 HKAF CO[C@@H](C=C(C)C)C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356809204 AOLZZVBUHJCETR-JAFQAJIXSA-N 414.674 6.934 0 1 HKAF COc1cccc(-c2cc3c(Nc4cc(C(F)(F)F)ccc4F)nccc3[nH]2)c1 205230982 AADWBQYJVSPFES-UHFFFAOYSA-N 401.363 6.140 0 3 HKAF O=C(O)c1ccc(Nc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc1 1646710 VNPGMPKXSJGJEV-UHFFFAOYSA-N 409.367 5.757 0 1 HKAF CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl 4055518 KXOFWOQTXFTHEZ-HKUYNNGSSA-N 409.288 5.141 0 1 HKAF C/C(=C\C1CCCCC1)[C@@H](NC(=O)c1cccnc1)c1ccc(-c2ccccc2)cc1 7991724 DTBUUXNDAQUETK-KVMXLORXSA-N 410.561 6.746 0 1 HKAF aggregator O=C(OC[C@@H]1CCCN(CCCc2ccccc2)C1)c1ccccc1C(F)(F)F 27207493 XHLFIAOBGYMSRR-LJQANCHMSA-N 405.460 5.207 0 1 HKAF C[S@](=O)c1ccc(CSc2nc(-c3ccc(F)cc3)c(-c3cccnc3)[nH]2)cc1 27525208 CGBAOUHMISZYID-GDLZYMKVSA-N 423.538 5.308 0 1 HKAF CCc1sc[n+](CCCCCCCCCCCC[n+]2csc(CC)c2C)c1C 28475085 QIEXYPBSMWCNCK-UHFFFAOYSA-N 422.748 6.727 0 1 HKAF CCOc1ccccc1-c1ccc(-c2cc(NCCC(=O)O)c3ccccc3n2)cc1 28897304 QUNHIAJQQAQSGK-UHFFFAOYSA-N 412.489 5.854 0 1 HKAF CCOC(=O)c1ccc(NCCCCCCCCCCCCCCC(C)(C)C)cc1 29216750 NKDUHWSLMGANFG-UHFFFAOYSA-N 417.678 8.393 0 1 HKAF CSc1ccc(/C=C2\C=C([C@H](O)c3ccc(SC)cc3)c3ccccc32)cc1 38142977 XDKKGOJOEQYOES-DQJRMYJUSA-N 402.584 6.802 0 1 HKAF Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccccc3)O2)cc1 39396935 RZJAKIZOPWLXJW-RBBKRZOGSA-N 414.958 5.073 0 1 HKAF O=C(NN1CCCCC1)c1ccc2c(c1)N=C(C1CCCCC1)c1ccccc1S2 40939597 QPUXUSUONDVIKY-UHFFFAOYSA-N 419.594 5.983 0 1 HKAF O=C1C(c2ccc(Oc3ccccc3)cc2)=[N+]([O-])c2cc(OCc3ccccc3)ccc21 45259352 HZEFVDJGXNMOLU-UHFFFAOYSA-N 421.452 5.885 0 1 HKAF Cc1ccc([C@H](CCN(C)C)NC(=O)c2cccc(-c3ccc4ccccc4c3)c2)cc1 45290387 QLEPOEKQYKHHPP-NDEPHWFRSA-N 422.572 6.238 0 1 HKAF CC(C)=CCc1cccc([C@@H]2CC(=O)c3c(O)cc4c(c3O2)C=CC(C)(C)O4)c1O 66113970 VPMGXHDHUFGBBL-FQEVSTJZSA-N 406.478 5.497 0 1 HKAF biogenic,in-vitro O=C(c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccccc1)N1CCCCC1 82133487 QNRLANGUYVXYFI-UHFFFAOYSA-N 420.944 5.078 0 1 HKAF CC(C)=CCc1cc(C(=O)CC(=O)c2cc(CC=C(C)C)c(O)cc2O)ccc1O 101702430 VDOHBGQSFOWYTB-UHFFFAOYSA-N 408.494 5.277 0 1 HKAF biogenic,in-vitro CCOP(=O)(OCC)[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccccc1 103218319 YXEHLYVKAHCMQA-GOSISDBHSA-N 415.348 5.400 0 1 HKAF CC1(C)CC2=Nc3cc(C(=O)c4ccccc4)ccc3N[C@H](c3ccncc3)C2=C(O)C1 104005008 BGMUAOSTTKNIHK-RUZDIDTESA-N 423.516 6.184 0 1 HKAF O=C(O)c1ccc2nc(-c3ccccc3)c(N3CCC(c4ccccc4)CC3)nc2c1 116230305 VBOARJZBQGMIEJ-UHFFFAOYSA-N 409.489 5.379 0 1 HKAF N#Cc1cc(COc2ccc3c(c2)cc2n3CC[C@@H]2CC(=O)O)ccc1C1CCCC1 117785682 RXTPJDXUECAAGM-LJQANCHMSA-N 414.505 5.712 0 1 HKAF c1cncc(-c2cc3c(cn2)[nH]c2ncc(-c4ccc(CN5CCCCC5)cc4)cc23)c1 139486602 MJGVCCPVNPTNCM-UHFFFAOYSA-N 419.532 5.826 0 1 HKAF Cn1nc(C(C)(C)C)cc1-c1nc2cc(-c3ccccc3OC(F)(F)F)ncc2[nH]1 141924035 FHOSPKVACFVRFG-UHFFFAOYSA-N 415.419 5.222 0 1 HKAF COc1ccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)cc1Cl 143266096 FWEFVGNOSVSIJW-UHFFFAOYSA-N 401.857 5.579 0 1 HKAF O=C(Nc1cnc2[nH]c(CNc3ccccc3)cc2c1)c1ccccc1Br 148956003 IXTUUGMNSAQPHI-UHFFFAOYSA-N 421.298 5.190 0 1 HKAF COc1cc2[nH]c(C)c(-c3ccc(Oc4ccc(F)cc4)cc3)c(=O)c2cc1Cl 169345129 AVKPNFBAISOFRY-UHFFFAOYSA-N 409.844 6.097 0 1 HKAF O=C1C[C@@](CCc2ccccc2)(c2ccccc2)OC(=O)[C@@H]1Sc1cccs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c1ccccc1C(=O)Oc1cc(C)nn1-c1ccc(C)cc1 474607980 KWMKPPXPHICWTC-QHCPKHFHSA-N 420.509 5.503 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)C3=CC[C@@]12C 503932935 ORLULZQEXHRVDY-XRUVFABQSA-N 412.702 7.945 0 1 HKAF biogenic CCCCOc1cc2nc([C@H](C)SCc3ccccc3)[nH]c2cc1Br 586964076 UIPDIRZCIJMWHI-AWEZNQCLSA-N 419.388 6.499 0 1 HKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 586982985 SUJAXSQAMWPROO-ZDUSSCGKSA-N 419.294 5.535 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(C(C)(C)C)cc2[nH]1 587035170 PIPJLMWHLKQBAL-GOSISDBHSA-N 405.567 6.346 0 1 HKAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(Cl)ncc2[nH]1 587121858 NVFASVDEHKCAJR-UHFFFAOYSA-N 410.808 5.609 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587233608 RNAMJMRRDHWCCK-DGCLKSJQSA-N 401.404 5.272 0 1 HKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccnc(Br)c2[nH]1 587247803 UHXRVQPCYDCYJV-UHFFFAOYSA-N 409.287 5.135 0 1 HKAF Nc1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c2ccccc2c1 587252174 SCYYTHSELWTFJK-UHFFFAOYSA-N 406.205 5.747 0 1 HKAF Cc1ccc(C[C@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587355052 POLLHRKUWKYWLF-AOYPEHQESA-N 404.481 5.836 0 1 HKAF COc1cccc(-c2cc(-c3nc(Cl)ncc3C)nc3c2oc2ccccc23)c1 587359374 FVDCYYWJWHXXSK-UHFFFAOYSA-N 401.853 6.075 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](CC(=O)N(C)C)CC3)c1 587361388 ZOVZBWIVHOPDBE-INIZCTEOSA-N 400.478 5.165 0 1 HKAF CCOC(=O)[C@@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)[C@@H](C)C1 587362603 KKURYFWPWRCASU-RDJZCZTQSA-N 415.489 5.886 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](c2ccccc2)CCC3)c1 587365356 GXICWIWMRWPZNJ-NRFANRHFSA-N 405.497 7.125 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C)C[C@@H]3c2ccccc2)c1 587365688 ILTPUJREWHTPCF-WZONZLPQSA-N 419.524 7.371 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3cc(C)sc3C)[nH]c3ccccc13)O2 587410522 OLXFDAUEZMBWBX-OAQYLSRUSA-N 402.519 6.110 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1OCc1ccccc1F)[C@@H](C2)C3=O 587426702 PHRWZWPEZLWBLI-MHECFPHRSA-N 424.855 5.555 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc4ccc(Br)cc4s1)[C@@H](C2)C3=O 587451975 MAAGANGZRRPGHT-DJJJIMSYSA-N 401.281 5.161 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OC(C)C)cc1Cl)CC2=O 587459899 IVNRDQFFNRURIS-LJQANCHMSA-N 404.890 5.500 0 1 HKAF O=C1C[C@](Cc2ccc(Cl)cc2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587500620 MNXMLBDFFYEPJG-AREMUKBSSA-N 402.921 6.322 0 1 HKAF CCC[C@@H](N1CCCC1)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514789 PIQCPTLDQIFOIZ-XNMGPUDCSA-N 403.566 5.691 0 1 HKAF CC(C)(C)OC(=O)/C=C/c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587523699 ONQPBDDSHZOXGY-VOCPSOEZSA-N 404.506 5.627 0 1 HKAF CC(C)Cc1ccc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587528579 CELJOHWXBNDTOK-AREMUKBSSA-N 406.522 5.489 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)ccc(Cl)c1Cl 587547060 SCZWVGWBMBNEGW-JXFKEZNVSA-N 403.217 5.108 0 1 HKAF C[C@]1([C@H]2CC=C(Br)CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547378 ZUBGMTVJIVWWKC-LTBCBRHQSA-N 415.283 5.191 0 1 HKAF COc1cc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587548641 XQIDTYFZEUEPGI-NQIIRXRSSA-N 417.244 5.411 0 1 HKAF C[C@H](C[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1cn(C)c2ccccc12 587580418 XRGOOVNEFJHNBX-XRJVTAMDSA-N 413.473 5.408 0 1 HKAF Cc1ccc(-c2cnc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1C 587585735 HHPYKXYLXDYXCP-QPPBQGQZSA-N 413.429 5.367 0 1 HKAF O=C(c1c(-c2ccc(Br)cc2)[nH]c2cc(Cl)c(F)cc12)C(F)F 587628790 AKBRQFBLHBGKSP-UHFFFAOYSA-N 402.597 5.838 0 1 HKAF Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1C(F)(F)F 587709967 DATZWRVRWZCZKJ-ADLMAVQZSA-N 416.256 5.713 0 1 HKAF COc1ccc([C@]2(C(C)(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587724095 DSQWORNZJIUPKG-QKVFXAPYSA-N 424.329 5.560 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC=C(NNc3ccccc3)C2)N1 587750154 RRLHXABUFPMFNW-SZNDQCEHSA-N 416.338 5.002 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNc3cc4ccccc4cc32)N1 587800083 ZVXHWNFZKKRYMG-XMHCIUCPSA-N 411.318 5.335 0 1 HKAF CCOc1cc2c(cc1[C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)CCC2 587801156 JDAPUTDUUGUGPV-XUSGNXJCSA-N 404.323 5.099 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1csc(C)c1CC 587866441 DPFQPVWYGHOWLA-UHFFFAOYSA-N 408.445 5.588 0 1 HKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587951981 KZFCZLOZFRWPEV-NVBFEUDRSA-N 419.285 6.391 0 1 HKAF CCCC[C@H](CNC)N1CCN(CCC23CC4CC(CC(C4)C2)C3)[C@H]([C@@H](C)CC)C1 653722491 WNUIPHOLXVRYFV-YOHUYYEESA-N 417.726 5.403 0 1 HKAF CCCCCCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3[C@@H]1C2 653724711 ACIKAIVCJBOQAN-NRFANRHFSA-N 411.542 5.024 0 1 HKAF COc1ccc2c(c1OC)[C@H](c1c(Cl)c(C=O)cc3ccccc13)N(C)[C@@H](C)C2 962573435 RVHDMFGJVPPBIX-LFVRLGFBSA-N 409.913 5.289 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2cccc(OC)n2)(c2ccc(C)cc2C)N1 962958140 OSXFUUMCBGBDAE-XHCCPWGMSA-N 411.549 5.405 0 1 HKAF FC(F)(F)c1cccc2c1[C@H](c1c(Cl)cccc1Cl)NCC21CCOCC1 962961527 VIVMEKWYXPNQNK-GOSISDBHSA-N 416.270 5.753 0 1 HKAF COc1cccc2cc3c(nc12)[C@@H](c1ccc(OCCc2ccccc2)cc1)NCC3 963058805 RBEXIYXHQOXIAL-AREMUKBSSA-N 410.517 5.100 0 1 HKAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](CC[C@@H]2C[C@H]3CC[C@H]2C3)N1 963184182 QRZYFGYWZDCBNQ-QXSWSUPYSA-N 401.856 5.215 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CC(=O)C(F)(F)F)c1ccc(C(C)C)cc1 963230810 AUORGSINYSGDED-MHECFPHRSA-N 417.515 6.232 0 1 HKAF CC(C)c1ccc([C@]2(CCCCC(=O)O)NCC(C)(C)c3ccc4c(c32)OCO4)cc1 963390370 IKQWGYYGFZWWOO-SANMLTNESA-N 423.553 5.308 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1c(C(C)(C)C)[nH]c2c(C)ccc(F)c12 963639345 UYDSTRDWMGFWJW-LFVRLGFBSA-N 410.533 5.554 0 1 HKAF O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2[C@@H]1c1ccccc1F 1857612875 QVFSEQJBHNZOMN-IBGZPJMESA-N 421.324 6.374 0 1 HKAF CO[C@@H]1OC(=O)C2=CC[C@@H]3[C@]4(C)CC[C@@H]5C(C)(C)CCC[C@]5(C)[C@@H]4C[C@H](O)[C@@]3(C)[C@@H]21 2356412546 SZCOSHPHASAUBT-HWPMKPCHSA-N 416.602 5.098 0 1 HKAF CC(C)=CCCC(C)=CCc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O 2356544472 QEXZVESBFWVISP-HSZRJFAPSA-N 408.494 5.745 0 1 HKAF CC(C=CC=C(C)[C@@H]1C=C2C(C)(C)C[C@@H](O)C[C@@]2(C)O1)=CC=CC=C(C)C=CCO 2356599140 OOJOUQLXWXASLN-ONBPZOJHSA-N 410.598 5.751 0 1 HKAF CCC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]1CC[C@@H]1[C@@H]2CC=C2C[C@H](O)CC[C@@]21C)C(C)C 2356653589 LPKGEXRCVBMHFE-GOMHYKKSSA-N 414.718 8.025 0 1 HKAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C(=O)C=C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 2356779787 DVMUKIWOCNJTAW-ULBFLVQDSA-N 413.646 6.028 0 1 HKAF CNc1nc2cnc(Nc3cccc(F)c3)cc2n1-c1cccc(C(F)(F)F)c1 206055679 SKYFSRFAZQKHEQ-UHFFFAOYSA-N 401.367 5.364 0 3 HKAF Clc1ccc(-c2c[nH]cc2[C@H](c2ccc(Cl)cc2Cl)n2ccnc2)cc1 5974198 PBNJEFLDXFIGNG-FQEVSTJZSA-N 402.712 6.476 0 1 HKAF Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)OC(C)(C)C)sc2c1 13533836 KIOSECNYPVKORB-UHFFFAOYSA-N 417.918 5.857 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)NCCC(c1ccccc1)c1ccccc1 13833451 XOHWAUMSZKEGCI-UHFFFAOYSA-N 414.593 7.277 0 1 HKAF CC(C)=CCc1cc2c(c3c1OC(C)(C)C=C3)OC[C@H](c1ccc(O)cc1O)C2=O 14618662 DORNSNGHFGIOBF-HXUWFJFHSA-N 406.478 5.150 0 1 HKAF biogenic CC(=O)OC/C(C)=C\CC/C(C)=C/CC/C(C)=C/Cc1c(O)c2ccccc2oc1=O 15215646 DGXYXHBBMGOEMA-IXKCIZFISA-N 424.537 6.004 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@](C)(C[C@@H](O)C3=CC(=O)O[C@H]3O)CCC[C@@]21C 26961078 JSDANYFQRXTLHP-QAMGGKKVSA-N 406.607 5.224 0 1 HKAF COc1ccc(N2C(=O)[C@@H](CCCc3ccccc3)[C@H]2c2ccc(S)cc2)cc1 27197705 SPSPDOZSWFABRE-BJKOFHAPSA-N 403.547 5.711 0 1 HKAF O=C(Nc1ccc(F)cc1)c1ccccc1NC(=O)c1sc2ccccc2c1Cl 29479919 QNMOTOCCDDKHQF-UHFFFAOYSA-N 424.884 6.198 0 1 HKAF CCCCCCN(C=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 36189715 GMEAODWEIDSCAS-SSVBDUDVSA-N 416.650 5.257 0 1 HKAF OCCC1CCN(Cc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)CC1 45166961 ZCEUFSVGFZEJBC-UHFFFAOYSA-N 411.549 5.491 0 1 HKAF COc1ccccc1[C@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccccc1C 49808504 NBKZNTZINHCTDV-AOHZBQACSA-N 420.509 5.848 0 1 HKAF COc1ccc([C@@H](Nc2ccc(C)cc2Cl)C(=O)CCc2ccncc2)c(OC)c1 52595050 FZWDSWDHACUSLN-XMMPIXPASA-N 424.928 5.416 0 1 HKAF Cc1cccc(-c2nn(CC(=O)Nc3ccccc3)cc2-c2ccc3ncccc3c2)n1 71316919 ZSGPHLSZCUTUHQ-UHFFFAOYSA-N 419.488 5.107 0 1 HKAF Cc1ccccc1-c1csc(N[C@@H](CC(C)C)C(=O)NCc2ccc(F)cc2)n1 82195289 UPSOQUDTSGRGFE-FQEVSTJZSA-N 411.546 5.401 0 1 HKAF Fc1ccc([C@H]2[C@@H]3CC[C@@H](C[C@H]2c2ccc(F)cc2)N3CCc2ccccc2)cc1 100840759 TULWTCRECLIYGX-YIPNQBBMSA-N 403.516 6.312 0 1 HKAF O=C(CC1CCCCC1)Nc1sc2c(c1C(=O)Nc1ccccn1)CCCCC2 103239419 OSHOMZYVRODVNN-UHFFFAOYSA-N 411.571 5.573 0 1 HKAF O=C(CCc1ccccc1)Nc1cc2nc(C3CCCCC3)[nH]c2cc1N1CCCC1 103255853 HFPOZGQFJPNHPI-UHFFFAOYSA-N 416.569 5.782 0 1 HKAF CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC2CCCC2)cc1 103993379 YYNHKKXHHARWAD-HSZRJFAPSA-N 423.553 6.015 0 1 HKAF CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2Cl)C2=C(O)CCCC2=N1 104700070 ANSHYQLFWDNGOR-NRFANRHFSA-N 410.876 5.926 0 1 HKAF COc1ccc(-c2cc([C@@H]3[C@@H](c4ccc(Cl)cc4)C[C@@H]4CC[C@@H]3N4C)on2)cc1 169371431 MZBDCJWEXVZTQQ-PJXYCGMHSA-N 408.929 5.738 0 1 HKAF Cc1ccc(C2=NN(c3nc(O)cs3)[C@@H](c3ccc(Br)cc3)C2)cc1 169726244 HZRHRWXQWZWELB-QGZVFWFLSA-N 414.328 5.275 0 1 HKAF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@H]([C@]3(C)CCC(=O)O3)CC[C@]21C 255193398 AHDUWGQSZYSNEY-YBLAWNRESA-N 416.646 6.128 0 1 HKAF C/C(=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](CO)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](C)C(C)C 255219817 IMPDGJJMUUPFGN-DRPOSBOSSA-N 414.718 7.738 0 1 HKAF Clc1ccc(-c2ccc(-c3nccn3-c3ccc([C@@H]4C=CCNC4)cc3)o2)cc1 299832474 GTLIFCLVWKLWKI-LJQANCHMSA-N 401.897 5.696 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cnc(Nc4cccnc4)s3)nc3ccc(O)c1c23 586992946 BTPSRDUJVZBERY-UHFFFAOYSA-N 422.469 5.414 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 587007113 XRNDSSBKGSRIRH-UHFFFAOYSA-N 416.278 5.476 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c(C)cnc(Cl)c3[nH]1)N2 587032996 WWRKWNPRGLBHHC-OYUORYAFSA-N 419.963 5.047 0 1 HKAF COc1cccc(-c2ccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c(Cl)c2)c1 587052348 PCIJPPPAQPNHEV-UHFFFAOYSA-N 404.779 5.319 0 1 HKAF O=C(O)c1cc(F)cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587071511 NRPVHHLKYKYKGC-RMKNXTFCSA-N 422.843 5.803 0 1 HKAF FC(F)(F)c1cc(Cl)c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2c1 587084247 VLKDCQPKOCDJMW-UHFFFAOYSA-N 408.210 6.618 0 1 HKAF Fc1c(Br)cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2c1F 587085599 WDCSGHCTRKCLHL-UHFFFAOYSA-N 421.632 5.381 0 1 HKAF COC(=O)c1ccc2c(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c[nH]c2c1 587098548 ZPNOYFVJGXPMCE-UHFFFAOYSA-N 418.452 5.690 0 1 HKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587112963 ISVLUYYOOPITDY-JTQLQIEISA-N 404.379 6.540 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4c(C)cnc(Cl)c4[nH]3)cc2F)c1 587142822 GBDDMPJHCGJMLK-UHFFFAOYSA-N 402.256 6.055 0 1 HKAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(Br)c(Br)cc3[nH]2)c1 587161126 KJNRDKMBPYWGHK-MNOVXSKESA-N 410.084 5.498 0 1 HKAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587162197 FIDRUGAMTDPAOL-UHFFFAOYSA-N 402.322 5.758 0 1 HKAF CCc1ccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2c1 587231280 OQPJBKCHNCECIN-UHFFFAOYSA-N 400.482 5.015 0 1 HKAF C[C@@]1(c2cc3cccc(F)c3o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340706 YVZKSEDSBYAAFS-URXFXBBRSA-N 406.384 5.691 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(C)ccc2OCC3)c1 587365698 JCFUBIBYNQVJQY-UHFFFAOYSA-N 407.469 6.567 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](Cc2ccccc2)CC3)c1 587366836 NKVUOQRFTPTHCE-FQEVSTJZSA-N 405.497 6.929 0 1 HKAF CCSc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587368929 BONYAGQJVDGKQP-UPVQGACJSA-N 408.494 5.918 0 1 HKAF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1ccccc1 587439742 CIPRZQJGSVPJPL-IBVKSMDESA-N 416.473 5.162 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1ccc(Cl)cc1)CC2=O 587468453 VFMBCPIHGFTYNC-XMMPIXPASA-N 410.872 6.046 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2CCc2cc(O)ccc21 587483016 QJRXBGLKOWOFLA-AREMUKBSSA-N 400.474 5.058 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cn3cc(Cl)cn3)c(C)s1)CC2=O 587492252 NXTZJWAVVFVVRD-LJQANCHMSA-N 416.930 5.319 0 1 HKAF Cc1ccc(C)c(-n2nc(C)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2Cl)c1 587496212 ADXUNVPIULZHFK-QFIPXVFZSA-N 420.940 6.036 0 1 HKAF O=C1c2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(Cl)cc21 587502484 RNFCGTPPNMTIHL-SANMLTNESA-N 414.888 5.672 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)c(Cl)c1 587549097 PXAAGWKAVDGCMI-PXNSSMCTSA-N 420.770 5.767 0 1 HKAF Cc1ccc(-c2cncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 587588579 TYIKCSFSVBUHRO-BVAGGSTKSA-N 409.441 5.466 0 1 HKAF CCCOc1ccc(CC)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597722 RRBWXQIKQPEQTM-RCZVLFRGSA-N 404.462 5.446 0 1 HKAF CC1(C)[C@H](OCc2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587599451 FXJQZBHUNAJQAV-UFPGJGBJSA-N 416.473 5.108 0 1 HKAF Cc1oc(-c2cccs2)nc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611742 JMSXEKRNSFPMLU-UTKZUKDTSA-N 405.431 5.120 0 1 HKAF Cc1nc(C(F)(F)F)ccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587713301 NADGBLFQUAPZLW-VVVCHXIZSA-N 417.244 5.108 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)c(F)c2)N1 587714129 VAKXXUGSGQABCG-HUTHGQBESA-N 420.219 5.544 0 1 HKAF CC[C@@]1(c2ccccc2OC(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587722024 XOYBUHGAMRVXCW-WLRWDXFRSA-N 414.265 5.377 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccccc3F)no2)N1 587729509 VRIKFVGKEZVSMK-OVWNDWIMSA-N 405.242 5.006 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cc(N(C)C)ccc3c2)N1 587754543 KNCWCONXQCJVPZ-DMZKTXOQSA-N 413.334 5.431 0 1 HKAF Fc1cc(Br)c2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2c1 587784940 WIEZMTJXVVQRGL-DHZHZOJOSA-N 423.285 6.214 0 1 HKAF CC1=CSc2ccc(Cl)cc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587855870 KJWDEFLBTRZBSF-WYRIXSBYSA-N 424.766 6.029 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(C(F)(F)F)c1 587861563 UVNCQRGRESUEMT-UHFFFAOYSA-N 414.305 5.285 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncc2c(n1)-c1ccccc1CC2 587863116 RCNYVHHXGZSDRQ-UHFFFAOYSA-N 422.410 5.122 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c([C@H](CC)O[C@@H]3CCC[C@H](C)C3)nc2c1 587951422 UUCGGINQRQQAPN-QEORTHHSSA-N 423.351 5.549 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccccc2[nH]1 587959688 NEHVBVXDDNMHCK-XSCOUVMYSA-N 402.626 8.417 0 1 HKAF Cc1ccc(C)c(-c2n[nH]cc2[C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c1 962697061 HOOSQCWSDYPSCU-XDHUDOTRSA-N 407.558 5.286 0 1 HKAF Cc1cccc(CC[C@]2(c3ccccc3C)NCCc3ccc(C(=O)N(C)C)cc32)c1 962921715 DIHXGAKKVSGOOS-MUUNZHRXSA-N 412.577 5.027 0 1 HKAF Cc1ccnc2c1CCN[C@@]2(CCSc1ccc(Cl)cc1)c1cccs1 963069387 MGSXWKHHDAAQPO-NRFANRHFSA-N 401.000 5.677 0 1 HKAF Cc1ccc2c(c1)[C@]1(C(=O)[C@H](c3ccccc3)O2)c2ccc(F)cc2C[C@@H]2CCCN21 963094719 CWULNNIMENYMCM-NOOLENRPSA-N 413.492 5.101 0 1 HKAF Cc1ccccc1COc1c(C)cc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1C 963100599 KFWYUSKXTBSUOE-BDYUSTAISA-N 415.552 6.440 0 1 HKAF CC1(C)C[C@@]2(c3cc(Br)ccc3O1)c1c(F)cccc1C[C@@H]1CCCN12 963102782 RZDIVHQAMXAGDS-KSFYIVLOSA-N 416.334 5.413 0 1 HKAF COc1cc(OCc2ccccn2)ccc1/C=C/c1cc(/C=C/c2cccc(C)n2)n[nH]1 1772579834 OCVOXDDYMZHRGJ-GNDASISDSA-N 424.504 5.437 0 1 HKAF COC(C)(C)/C=C/C/C(C)=C/Cc1c(O)ccc2c1O[C@H](c1ccc(O)cc1)CC2=O 1857576782 BTQZTZDWOMSZMX-LSYZLYGASA-N 422.521 5.664 0 1 HKAF CCCOc1ccc(-c2cc(OC)c(-c3ccc(O)cc3)c(OCCC)c2OC)cc1 1857644923 RQBGOWWUMFDQKV-UHFFFAOYSA-N 422.521 6.321 0 1 HKAF O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nccnc1OCc1cccc(F)c1 1857648661 HEBUGQRQNUSZII-UHFFFAOYSA-N 407.232 5.146 0 1 HKAF O=C(Nc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1)c1ccc(F)c(F)c1 1911579422 ZYSCNRXFQLGXST-UHFFFAOYSA-N 424.300 5.026 0 1 HKAF CC(C)[C@H](C)[C@]1(C)C[C@H]1[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2356347418 HMDSENZCYXUARJ-RQEXAVSNSA-N 412.746 8.990 0 1 HKAF COc1cc(O)c(-c2c(C)cc(O)c3c(OC)cccc23)c2c1[C@H](C)N(C)[C@@H](C)C2 2356516044 JYDUXYXOEDHAMY-GJZGRUSLSA-N 407.510 5.181 0 1 HKAF CC(C)C=C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356712325 ZCGQXKHIMLRISN-DTDRGUMHSA-N 402.619 5.148 0 1 HKAF CCc1nc2c(OCc3ccccc3C)cccn2c1N(C)C(=O)c1ccc(C)cc1 61906235 NRYYONMRUHETJX-UHFFFAOYSA-N 413.521 5.369 0 3 HKAF COc1ccc2c(c1)[C@@H]([C@@H](Nc1ccc(C)cc1)c1ccc(Cl)cc1)C(=O)N2C 206048846 PBTUFFOCWZAJHP-GOTSBHOMSA-N 406.913 5.570 0 3 HKAF CCCCNC(=O)c1nc2cc(C)c(C)cc2nc1-c1cccc(OC(F)(F)F)c1 206051594 SFDLLSXQDIEJQA-UHFFFAOYSA-N 417.431 5.342 0 3 HKAF Oc1cc(-c2ccccc2)nc2c(-c3ccc(Cl)cc3)c(Cc3ccccc3)nn12 5019027 MMQAMQZTBBCGMI-UHFFFAOYSA-N 411.892 6.013 0 1 HKAF O=C(c1ccc2c(c1)[C@@H](NCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 5070912 OMZIKQJNPWKYKE-DEOSSOPVSA-N 418.581 5.629 0 1 HKAF CCSc1sc(CC)cc1[C@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)OC 6381165 XBPTZGSYYHETJB-GOSISDBHSA-N 419.612 6.040 0 1 HKAF O=C1Cc2c(-c3ccccc3)cc(-c3ccc4ccccc4c3)nc2-c2ccccc2N1 13222597 IZKQUXVZUPLRGB-UHFFFAOYSA-N 412.492 6.730 0 1 HKAF Fc1ccc(C(c2ccc(F)cc2)C2CCN(CCCOc3ccccc3)CC2)cc1 13824984 NFBYPQJXZYCVMG-UHFFFAOYSA-N 421.531 6.278 0 1 HKAF Cc1cccc(Cl)c1Nc1nc2cccc(OCc3ccccc3)c2n2cncc12 13860303 IRTXXNQFMQSXOH-UHFFFAOYSA-N 414.896 6.167 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@H]3CC=C4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 34801267 DXSCVNXGNJVZAB-VGXFKPFASA-N 412.618 5.013 0 1 HKAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(O[C@H](C)CCCC(C)C)c2)[nH]1 40379442 STAFTLRPNZZRCJ-MRXNPFEDSA-N 413.562 6.593 0 1 HKAF CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Nc1cnccc1CO 40934695 APBZRDZUJOBALE-OAQYLSRUSA-N 417.553 5.259 0 1 HKAF C/C(=C\CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C1CC1)CCC=C1CC1 44246908 PBHARJKELFPYNJ-DKTKHUEWSA-N 406.698 10.113 0 1 HKAF COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1c[nH]c2ccccc12 49110062 BRYITMVYUBPGDS-WXTAPIANSA-N 402.538 5.884 0 1 HKAF CCCCC[C@@H](C)NCc1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 72103594 XCXLHFQDCJDPMO-GFCCVEGCSA-N 408.386 6.438 0 1 HKAF CCN(C(=O)CC[C@]1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21)C(C)C 72109029 NSRYWAJPPUWIAD-DEOSSOPVSA-N 407.945 5.346 0 1 HKAF O=C(Nc1cc(Cl)nc(Cl)c1)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1 73197357 JXJPHZOUDWRHCV-AWEZNQCLSA-N 411.676 5.228 0 1 HKAF C[C@@H]1C[C@@H](C)CN(c2ncc(-c3nc4ccccc4s3)c(-c3ccccc3F)n2)C1 82175768 HVMVWXFZUOBERI-HZPDHXFCSA-N 418.541 6.042 0 1 HKAF CC[C@H](C)Cn1c(C2CCCCC2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188324 WDEXNJLBZZATKS-OALUTQOASA-N 405.590 6.136 0 1 HKAF Cc1ccc(C2=C[C@H](c3c(-c4ccccc4)nc4c(C)cccn34)NC(=S)N2)cc1 95591994 PBBBHPUOLIAOKB-OAQYLSRUSA-N 410.546 5.178 0 1 HKAF COC(=O)[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccc(Cl)s2)s1 100969919 ULKBAZWILNDSNA-DDDFQTGXSA-N 405.972 5.169 0 1 HKAF CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccccc3C)c2)CC1 163651935 OGVZIMFZQNNGDT-UHFFFAOYSA-N 410.558 5.972 0 1 HKAF COc1cncc(C2=CC[C@H]3[C@@H]4CC=C5N(C)C(=O)CCC[C@]5(C)[C@H]4CC[C@]23C)c1 169214025 AIRMPFJEHCOHSE-WFPMDWFVSA-N 406.570 5.462 0 1 HKAF CC(=O)[C@@]12CCCC[C@H]1C[C@H]1[C@@H]3C[C@@H](C)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 169293119 YYJQALYDDZZWSF-UIEGZJGYSA-N 400.603 5.335 0 1 HKAF O=C(O)c1cccc(-c2ccc3c(c2)[C@H](CNc2nc4ccccc4s2)CCC3)n1 169349184 FPOQYZOPIMTCBV-KRWDZBQOSA-N 415.518 5.589 0 1 HKAF O=C(CC1CC1)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 261183179 WOCTZIGUHYMWQK-XYWHTSSQSA-N 408.586 5.477 0 1 HKAF CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 299871917 ZLMBOBBDZNNAHD-MPKDPQEWSA-N 412.577 5.864 0 1 HKAF O=C(O)c1ccccc1/C=C/c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586878163 AOUBSKBADVRZTM-AATRIKPKSA-N 411.177 5.213 0 1 HKAF CCCOc1cc2nc([C@@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2cc1Br 586892944 YLEIOKOROYXJBM-DJJJIMSYSA-N 403.320 5.260 0 1 HKAF COc1ccc(C=O)c2cc(-c3nc4c(Br)cc(Cl)cc4[nH]3)oc12 586902754 BZFMPKBECGUHRG-UHFFFAOYSA-N 405.635 5.213 0 1 HKAF CSc1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 587020099 WOEXYVRTVDNJOZ-UHFFFAOYSA-N 422.398 5.823 0 1 HKAF Clc1ccc(-c2cc(-c3nc4cc5c(cc4[nH]3)OCCCO5)ccc2Cl)cc1 587048604 XQHHASOXGYKHAX-UHFFFAOYSA-N 411.288 6.365 0 1 HKAF FC(F)(F)C(F)(F)c1cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2cn1 587074177 UHEJPEVQPAGHDJ-UHFFFAOYSA-N 401.766 5.540 0 1 HKAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587080004 MMJVVOIMPCAJDR-CYBMUJFWSA-N 410.852 5.552 0 1 HKAF Clc1ccc2ccc(-c3nc4cc(Sc5ccccc5)ccc4[nH]3)nc2c1Cl 587083335 PANBBHADFUSBCP-UHFFFAOYSA-N 422.340 7.236 0 1 HKAF CCN1/C(=C\c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)Sc2ccccc21 587101670 JHYZMXFFEOYQPE-BUVRLJJBSA-N 420.537 6.685 0 1 HKAF Cc1c(Br)ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc12 587159267 WBIAJJUPDMTJQZ-UHFFFAOYSA-N 409.258 5.919 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 587159581 SOAYPMHZMMYXIC-UHFFFAOYSA-N 416.431 5.293 0 1 HKAF Fc1cc(Br)cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587161533 VDAKGVBCYRVONM-UHFFFAOYSA-N 409.564 5.684 0 1 HKAF CC(C)Oc1cc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c2cc1Br 587170584 QZBVGRXLZVTYKS-GFCCVEGCSA-N 423.351 6.148 0 1 HKAF CCCCc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 587207856 XVGPWMFBYGKGMG-UHFFFAOYSA-N 421.496 6.083 0 1 HKAF C[C@@H]1CCC[C@H](N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 587345389 OXVOQUNBUABPLD-YQOVMPOYSA-N 423.528 5.304 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2CCc2ccccc2)[C@@H]1c1ccc(F)cc1 587356511 QRKDJPIXAFJYDY-FESMNKHTSA-N 416.492 6.062 0 1 HKAF COc1cccc(-c2cc(-c3cc(C)cnc3Cl)nc3c2oc2ccccc23)c1 587360425 OCOICCWILUHRGY-UHFFFAOYSA-N 400.865 6.680 0 1 HKAF CCOC(=O)C[C@@H]1CCCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587361814 BTVAYJNVGGOVIU-KRWDZBQOSA-N 415.489 6.030 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(-c3cnn(CC)c3)cc3ccccn13)CC2=O 587483626 CXKIYWZFFVFHQF-QHCPKHFHSA-N 415.493 5.187 0 1 HKAF Cc1ccc(F)c2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C(C)(C)C)[nH]c12 587505364 IKYFEGIAJDZFAN-FQEVSTJZSA-N 405.513 6.498 0 1 HKAF C[C@@]1(c2cccc(NC(=O)c3ccccc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587510317 GFZHTYXVXNFEDA-MHZLTWQESA-N 411.501 5.698 0 1 HKAF Cc1cc([C@]2(CN3CCCCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc(C)c1O 587515309 SEUGYLRKHAAPEW-HHHXNRCGSA-N 419.565 5.234 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCC(F)(F)F 587551047 XVKKDPKAZNDXEJ-WIYYLYMNSA-N 416.351 5.036 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12c1ccccc1C=Cc1ccccc12 587604076 QRTCZYLQNZNMBP-RUZDIDTESA-N 418.448 5.781 0 1 HKAF Oc1ccc(Br)cc1-c1[nH]c2cc(Cl)c(F)cc2c1-c1ccccc1 587628422 OIZTWOIHETVGNN-UHFFFAOYSA-N 416.677 6.763 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2c(Cl)cccc2Cl)N1 587694681 PZQFDIJJBGLIQN-MGNBDDOMSA-N 417.149 5.887 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(Cl)c2Cl)N1 587700694 ZZUYFRGANOZTEB-HUTHGQBESA-N 403.122 5.693 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)cc2C(F)(F)F)N1 587710393 FZKLIBBBULMBMV-XYZCENFISA-N 420.219 5.544 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Cl)c2)(C(F)(F)F)N1 587711993 ZAODKWCNKYBNEJ-FVMDXXJSSA-N 422.647 5.582 0 1 HKAF Cc1nn(-c2ccccc2)c(C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587757542 ONUOFZQOIXQNJT-XUSGNXJCSA-N 414.322 5.014 0 1 HKAF COc1ccc(-c2cccc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2)cc1O 587785586 CHLYGWDUMGBDCP-UHFFFAOYSA-N 420.778 5.025 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SC3CCCC3)cc2)N1 587846061 SWQXJSLFSMBWOD-LRTDBIEQSA-N 420.391 6.247 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1c(Cl)cccc1Cl 587853740 BGMZCIQVNOIVDC-UHFFFAOYSA-N 416.135 6.611 0 1 HKAF Cc1csc2sc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)c12 587854545 CQEQLBKUQGIVOC-XXFAHNHDSA-N 410.377 6.105 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Nc1ccc(OC)cc1 587859002 ABXURVJNNCXAIL-UHFFFAOYSA-N 406.269 5.344 0 1 HKAF O=C(CCc1ccccc1)c1nc2c(Br)cc(OC(F)(F)F)cc2[nH]1 587953870 VQWZPCKXSFBWGW-UHFFFAOYSA-N 413.193 5.040 0 1 HKAF O=C([C@H]1Cc2ccccc2[C@]2(CCCc3c2sc2ccccc32)N1)C(F)(F)F 962772177 VPOXNEYLHZKZTP-UTKZUKDTSA-N 401.453 5.127 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](COC(=O)CCC(=O)O)[C@]2(C)CCc1ccoc1 2356382295 VMJXBULAZAIARU-DVJXIFHOSA-N 402.531 5.399 0 1 HKAF COC(C)(C)C=CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356628683 BGFFWNIGBDDDCN-JDTILAPWSA-N 414.674 6.934 0 1 HKAF COC(=O)N[C@H](c1ccccc1)[C@@]1(C)C[C@@H]1[C@@H](C)C(=O)Nc1ccc2ccccc2c1 6202047 JXVHJUZZJVAJIL-UTNOOFTGSA-N 416.521 5.538 0 3 HKAF CCCCn1nc2cc(C(=O)NCC34CC5CC(CC(C5)C3)C4)ccc2c1OCC 8628233 NNIPWKBGPFYGBL-UHFFFAOYSA-N 409.574 5.181 0 3 HKAF Cc1ccc(CNC(=O)[C@]2(C)CCC[C@@]3(C)[C@H]4CC[C@@]5(C)C[C@]4(CC[C@@H]32)CC5=O)cc1 61959354 SCGLVFUCAHFLMI-IXNGEBPUSA-N 421.625 5.983 0 3 HKAF c1ccc2c(c1)c(-c1cncc(-c3ccsc3)c1)cn2CCCN1CCCCC1 589141 ARVPXHGQLZVIJF-UHFFFAOYSA-N 401.579 6.308 0 1 HKAF CC1(C)CC[C@]2(C)CC=C3[C@@](C)(CC[C@@H]4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@]43C)[C@@H]2C1 4104834 DBCAVZSSFGIHQZ-QXSYGDFLSA-N 424.713 8.377 0 1 HKAF Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 13673633 BTDHMLNFQMGPGD-UHFFFAOYSA-N 409.902 5.546 0 1 HKAF CC/C(=C(\c1ccccc1)c1ccc(/C=C/C(=O)N(CC)CC)cc1)c1ccccc1 13736700 LEANVSLVLHRVSO-SWATYJQJSA-N 409.573 6.937 0 1 HKAF CC(C)=CCc1c(O)cc2oc(-c3ccc(O)cc3O)c(CC=C(C)C)c(=O)c2c1O 14727555 MUUDYSFWQUSAOO-UHFFFAOYSA-N 422.477 5.300 0 1 HKAF biogenic,in-vitro C/C(=C/C=C/C(C)=C/C=C\C=C(/C)CCCO)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 14827107 SMTGOURXPBLNQN-AMWAQFJUSA-N 412.614 5.975 0 1 HKAF endogenous,in-man CC1(C)CCC(C)(C)c2cc([C@H](O)c3ccc4cc(C(=O)O)ccc4c3)c(F)cc21 26731406 QRUAEQXUOGHZIH-HSZRJFAPSA-N 406.497 6.108 0 1 HKAF O=C(CCc1ccc(Oc2ccc3ccccc3c2)cc1)Nc1ccccc1C(=O)O 27321454 SLROPTUVKWVHHE-UHFFFAOYSA-N 411.457 5.902 0 1 HKAF CCCC(=O)N[C@H]1CCN(c2cccc3oc(CCCCc4ccccc4)cc23)C1 28387069 HUDOCBRYIALMOR-NRFANRHFSA-N 404.554 5.493 0 1 HKAF CC[C@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4cccc(F)c4)oc3C)ccc21 28566084 WSMJRBPQAUXIIE-RBBKRZOGSA-N 423.484 5.551 0 1 HKAF CCOC(=O)N1CCC(c2ccccc2)(c2nccn2C/C=C/c2ccccc2)CC1 28822997 RJCPDKHBRVKZGA-FMIVXFBMSA-N 415.537 5.135 0 1 HKAF CCCCc1ccc(/N=c2/scc(CC(=O)Nc3ccc(CC)cc3)n2C)cc1 29124945 GKJOUJNOESEWJV-SHHOIMCASA-N 407.583 5.405 0 1 HKAF OCc1ccc(C(F)(F)F)cc1-c1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@H]2O 29476289 IKDSDAKRFCFVAY-FDDCHVKYSA-N 414.423 5.149 0 1 HKAF CC(C)(C)c1ccc(C(=O)NCCCCNc2ccnc3cc(Cl)ccc23)cc1 35190635 UPDVMTCLCYCOJE-UHFFFAOYSA-N 409.961 5.808 0 1 HKAF C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)C6CC6)CC[C@]5(C)[C@H]4CC[C@]23CN1C 35826920 LCZAZRCQHQJMDO-CVFFWCAWSA-N 410.646 5.116 0 1 HKAF COc1ccc(NCCCOc2ccc(C(=O)c3cccc4ccccc34)cc2)cc1 40762760 GQUABPMOYNWLMQ-UHFFFAOYSA-N 411.501 5.960 0 1 HKAF CCCc1cc(=O)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2[nH]1 40766636 PXVCXJLSRADZCH-IZZDOVSWSA-N 400.400 5.151 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4ccc(NC(=O)[C@H](C)CN(C)C)cc4)cc3)nc12 45229854 XNAFPXUZURCWAG-GOSISDBHSA-N 412.537 5.342 0 1 HKAF Nc1cccc(CNCc2ccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)cc2)c1 45301199 LZJILSGVOYVKQX-UHFFFAOYSA-N 422.507 5.908 0 1 HKAF CCNc1nnc(-c2ccc(Nc3ccccc3-c3nnc(NCC)s3)cc2)s1 64531943 BCKZDJJJRHCCIG-UHFFFAOYSA-N 423.571 5.331 0 1 HKAF CC(C)(C)c1ccc(OC(=O)C(Br)(C(F)(F)F)C(F)(F)F)cc1 68573945 AXZFURDVHLIWQC-UHFFFAOYSA-N 407.148 5.148 0 1 HKAF biogenic COC(=O)C(C)(C)[C@@H](c1ccc(Nc2cc(C)c(OC)c(C)c2)cc1)n1ccnc1 95560081 YIOUDVTUQSYHDS-JOCHJYFZSA-N 407.514 5.041 0 1 HKAF CCN(CC)C(=O)[C@H]1Sc2ccccc2-c2c1c1ccccc1n2CCCCF 96909224 NIDPCGXDRRILBS-QHCPKHFHSA-N 410.558 6.073 0 1 HKAF O=c1cc(-c2cccc(/C=C/c3ccc(Cl)cc3)c2)sc(N2CCOCC2)c1 101398355 CADBVDQKZDULFM-SNAWJCMRSA-N 409.938 5.436 0 1 HKAF O=C(NC1CCCCCC1)c1cc(-c2ccccc2)cn(Cc2ccc(F)cc2)c1=O 103263603 JPHQPWZIYRCUGH-UHFFFAOYSA-N 418.512 5.155 0 1 HKAF O=C(O)c1ccc(-c2cc(Cl)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cc1 144759702 XEKBFSIKNXDYMF-FQEVSTJZSA-N 404.771 5.484 0 1 HKAF [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(F)cc3)s2)[C@@H](C)O)c(C)c1Cl 146556310 PNSHZRQXZIOMEP-PIGZYNQJSA-N 402.882 5.391 0 1 HKAF Cc1ccc(CN[C@@H](c2ccc[nH]2)c2nnc(-c3ccc(Br)cc3)o2)cc1 169307906 XVFKZHSVWQGWBF-IBGZPJMESA-N 423.314 5.015 0 1 HKAF CCC/C=C/C/C=C/C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)OC(CO)CO 238789346 UVLMLZSAFTZAMD-RMIMTOJASA-N 402.575 5.361 0 1 HKAF CCCCN(CCCC)c1nccc(NCc2sc(-c3ccccc3)nc2C)n1 299860937 JZTRJNBVZKOXCR-UHFFFAOYSA-N 409.603 5.927 0 1 HKAF CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 299878077 IIPZTAMXPAQETP-GQWLDOHISA-N 402.535 5.779 0 1 HKAF CCN(CC)CCOc1ccc(CCc2ccc(-c3ccc(OC)cc3)cn2)cc1 473090782 PDZPOZNHTGBLBF-UHFFFAOYSA-N 404.554 5.263 0 1 HKAF CC(=O)c1ccc(-c2cccc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)c2)cc1 586881576 YGRAWSWSCRMZMU-UHFFFAOYSA-N 419.322 6.479 0 1 HKAF C[C@H]1CCO[C@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)C1 586917751 VYEUIHIMUFYIIJ-DJJJIMSYSA-N 401.304 5.392 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2cccc(OC)c2[nH]1 586982381 UMLUTIZIOQUROL-UHFFFAOYSA-N 403.320 5.960 0 1 HKAF Cc1ccc2c3c(cc(-c4cnn(-c5ccccc5F)c4)nc13)-c1ccccc1C2=O 586995520 LTFQDRPSHRUJCP-UHFFFAOYSA-N 405.432 5.746 0 1 HKAF O[C@H](c1ccc(Br)cc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 586995675 MOMKDGZPLXPZAY-LJQANCHMSA-N 411.324 5.558 0 1 HKAF Clc1nccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 586998935 SNYNPDKXSOLGIT-VURMDHGXSA-N 400.663 5.804 0 1 HKAF CC(C)Oc1ccc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2c1 587031749 LUYBFYVGJCCOLL-UHFFFAOYSA-N 413.543 5.372 0 1 HKAF Clc1ccccc1OCc1ccc(-c2nc3nc(Br)ccc3[nH]2)cc1 587063751 VCRRVKICKLHYGQ-UHFFFAOYSA-N 414.690 5.620 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc3ncccc3c2[nH]1)c1cccc(Cl)c1 587071034 IYTFMXAFVNEKAI-IBGZPJMESA-N 422.916 5.573 0 1 HKAF Cc1ccc(-c2noc(Cc3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)n2)cc1 587107449 RYEKJVMGDVRMPJ-UHFFFAOYSA-N 403.441 5.395 0 1 HKAF COc1cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1C 587110625 DBOZLXJGAQTWQL-UHFFFAOYSA-N 402.338 5.703 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4cc(Br)ncc4[nH]3)ccc2F)cc1 587139832 ZNEVGAVZCPZFFD-UHFFFAOYSA-N 410.246 5.396 0 1 HKAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587148401 CQUHHDVEPUISEF-LJQANCHMSA-N 419.809 6.576 0 1 HKAF C[C@@]1(c2nc3ccc(OCc4ccccc4)cc3[nH]2)C=C(c2ccccc2F)NO1 587157926 VVQUTDFJZUKLFE-DEOSSOPVSA-N 401.441 5.072 0 1 HKAF CCCCOc1cc2nc(-c3cc(N)cc4ccccc34)[nH]c2cc1Br 587251284 AYRJCWXRGXTPHI-UHFFFAOYSA-N 410.315 5.907 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc(/C=C\c5ccc(N)cc5)[nH]c4c3)o2)cc1 587251402 GDIPMQACXIYZJF-PQMHYQBVSA-N 409.449 5.041 0 1 HKAF Nc1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c2ccccc2c1 587251467 FLAJPSLLVWSXRQ-UHFFFAOYSA-N 406.205 5.747 0 1 HKAF CC(C)(C)[C@@]1(Cc2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349227 TXZATIPBMOYWLF-RDGATRHJSA-N 405.469 5.313 0 1 HKAF COc1ccc2c(c1)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354438 UQRDRCQDEYSREN-UKILVPOCSA-N 404.437 5.131 0 1 HKAF COc1cccc(-c2cc(-c3ncc(Cl)cc3F)nc3c2oc2ccccc23)c1 587360661 RCQKAROWXIWSOU-UHFFFAOYSA-N 404.828 6.511 0 1 HKAF CCOC(=O)[C@@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587362572 KDJAOTUPOUWZFH-MRXNPFEDSA-N 401.462 5.325 0 1 HKAF COC1=Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@@H](C(=O)O)C1 587363728 TUGCBAQAFDYJOK-KRWDZBQOSA-N 401.418 5.216 0 1 HKAF COc1cccc(-c2cc(-c3c(C)c(C)c(C)c(C)c3C)nc3c2oc2ccccc23)c1 587364952 GXBLYNCNWOJQIA-UHFFFAOYSA-N 421.540 7.866 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccc(Br)n3)cc1)O2 587371930 IDKPSHCJKHUBHV-LJQANCHMSA-N 409.283 5.108 0 1 HKAF C[C@@]1(c2cnc3ccsc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587375135 RDBQWZDTTMPJMW-GMAHTHKFSA-N 405.450 5.415 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(Br)c(F)c1)CC2=O 587465346 CFZQKRUPBLMMMV-FQEVSTJZSA-N 407.279 5.213 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](CCC)N1CCCC1)CC2=O 587473751 BWAOVQBDHCHWOL-RSXGOPAZSA-N 407.554 5.470 0 1 HKAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OC 587497937 DSUYUFKDOWYAJY-SFHVURJKSA-N 417.299 5.052 0 1 HKAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(=O)OC(C)(C)C 587528123 ZVUSGFIMSJUIDB-OAQYLSRUSA-N 424.493 5.594 0 1 HKAF Cc1nc(-c2ccccc2Cl)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587533919 ZBBJOSYTFTXWOY-XMMPIXPASA-N 423.965 6.531 0 1 HKAF O=C1C[C@@H](c2sc(Oc3ccccc3)nc2Cl)Oc2c1ccc1c2CCCC1 587535029 HMUNEAZWBOTUMT-SFHVURJKSA-N 411.910 6.174 0 1 HKAF C[C@]1(c2ccc(F)cc2OC(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558521 WUBLONUSHXRDJS-PGRDOPGGSA-N 416.351 5.010 0 1 HKAF C[C@]1(CCSc2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571383 NQKAHGSOOIMJFO-NFBKMPQASA-N 410.466 5.434 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(CSc3cc(C)ccc3C)c(-c3ccccc3F)c2c1 587641939 KXQYTVAWXSRVAU-SFHVURJKSA-N 417.593 8.397 0 1 HKAF CCCCO/C=C/[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587704947 KDLWUYZDEVFCAO-KLUFPHRFSA-N 410.249 5.210 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(C(F)(F)F)c2)N1 587711501 KVUYDYUMLVAOBO-BCTVWOGZSA-N 406.192 5.370 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(C(F)(F)F)cc2)N1 587715098 RMKATIDCGSRONY-ZMZPIMSZSA-N 416.256 5.599 0 1 HKAF COc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587753073 HOEAHQUVUIVDNI-ZSEKCTLFSA-N 415.306 5.011 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C2/N(C)c3ccccc3C2(C)C)N1 587768485 KFLZCAJXOYZIBX-LIFUKRKRSA-N 415.350 5.475 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(=O)C3CCC3)c2)N1 587821631 WNTWDLHGYMLLCX-YUNKPMOVSA-N 402.307 5.195 0 1 HKAF COc1ccc([C@H](c2ccccc2)c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 587931694 CTHXUHJXUPVRCK-IBGZPJMESA-N 416.830 6.424 0 1 HKAF CCCCCOc1cc2nc(CC3CCC(C)(C)CC3)[nH]c2cc1Br 587963046 LGJXJGBRNBOPEI-UHFFFAOYSA-N 407.396 6.653 0 1 HKAF FC(F)(F)Oc1ccc(-c2noc(/C=C/c3ccc(Br)s3)n2)cc1 653796686 UVERFEKPZPQXSR-SOFGYWHQSA-N 417.206 5.630 0 1 HKAF CC(C)C[C@H](NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)c1cccc(Cl)c1 653856845 NAAALHRVSSIRAA-QFIPXVFZSA-N 418.928 5.796 0 1 HKAF CCOC(=O)C[C@]1(CCCC(C)C)NC2(CC2)Cc2ccc(Br)cc21 961612261 FMVODULPKBFTSK-NRFANRHFSA-N 408.380 5.102 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@@]12CCc1ccc(-c3ccccc3)cc12 962374163 OJHXGGABIVVICL-HHHXNRCGSA-N 410.586 6.002 0 1 HKAF Cc1ccc(C[C@@]2(C(F)(F)F)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962701356 KBUCARHLAFGWJS-UTKZUKDTSA-N 409.492 5.498 0 1 HKAF CCc1ccc([C@@]2([C@H]3CC[C@H](C(=O)O)CC3)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963108862 PLTHMNPBNMQECR-UJAOESLHSA-N 421.556 5.543 0 1 HKAF CC(C)(C[C@@H]1N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21)c1ccccc1 963178543 LPAXJFUUCVYQNB-MSOLQXFVSA-N 411.851 5.367 0 1 HKAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cccn1-c1ccc(Cl)cc1Cl 963603189 BHPDKRIKHLAGCJ-DMZKTXOQSA-N 417.336 5.425 0 1 HKAF NCCCCc1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1 1772613951 LYYYVNCASSZLFJ-UHFFFAOYSA-N 401.436 5.264 0 1 HKAF Cc1nn2c(=O)cc(-c3cccc(-c4cccnc4)c3)[nH]c2c1-c1ccc(Cl)cc1 1857621727 OCWARGJSBPHFEH-UHFFFAOYSA-N 412.880 5.380 0 1 HKAF COc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3Cc2ccc(C(F)(F)F)cc2)cc1 1857654638 SFJYJQXBRNOBST-UHFFFAOYSA-N 411.379 5.111 0 1 HKAF CN(C)[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(c5ccc6[nH]ccc6c5)[C@@]4(C)CC[C@@H]32)C1 1911573488 HIGUEDQMBKLCCL-YVRYDIAESA-N 416.653 7.134 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CCC2=C3[C@@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 2356306595 GZBHQYMDTNXBIZ-YGXUKKLYSA-N 414.674 6.526 0 1 HKAF CCCC[C@H](C)[C@@H]1CCC[C@H](OC)CC[C@@H](C)C=C(C)C(=O)N2CCC[C@@H]2C(=O)O1 2356325482 XWYPACJKLTZIII-UORUAJHFSA-N 421.622 5.277 0 1 HKAF C[C@@H]1[C@]2(CC[C@@H](C)CO2)O[C@@H]2C[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@H]3[C@@]12C 2356329160 VPLTWAWMSJNNFM-JYBUROGLSA-N 416.646 5.794 0 1 HKAF C[C@@H]1CC=C[C@]2(CCC[C@@H]3[C@H](Cc4cc(O)cc(Cc5ccccc5)c4)CCC[C@@H]32)C1 2356372223 AFAPWEJYWCQFHU-OWMVQFFQSA-N 414.633 7.714 0 1 HKAF CC[C@H](C)CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356635715 IBWBTXGHONHYOZ-USBKIXQGSA-N 400.691 7.779 0 1 HKAF Cc1ccc2c(c1C)C1=CC[C@@H]3[C@]4(C)CC[C@H](O)[C@](C)(CO)[C@@H]4CC[C@@]3(C)[C@@]1(C)CC2 2356668349 NOMDWAAODUIOPI-AMNJYRFGSA-N 422.653 6.235 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CC[C@]1(C)[C@H](C)CC[C@]2(C)C(C)=CCC[C@@H]21 2356782314 DPSRVOWVSJLMOX-FJIJVGMHSA-N 423.649 5.798 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CCC=C(C)CC[C@@]1(C)C(C)=CCC[C@@H]1C 2356784531 OYUKOZCIOIIEID-NVQXNPDNSA-N 423.649 6.108 0 1 HKAF COC(=O)[C@H](C)CC[C@H]1C(C)=C(C)CC[C@]1(C)COc1ccc2ccc(=O)oc2c1 2356787546 VEPJENAVBBECGU-FTGWLVSGSA-N 412.526 5.514 0 1 HKAF CCCc1cc(C(=O)CC)cc(CCC)c1N[C@H](C(=O)O)c1ccc(C(C)C)cc1 13646488 DCBJNLJZSGHLEP-VWLOTQADSA-N 409.570 6.546 0 1 HKAF O=C(O)COc1cccc2c(CCSC(c3ccccc3)c3ccccc3)coc12 13671540 PNUIFGGEAVOVPQ-UHFFFAOYSA-N 418.514 5.962 0 1 HKAF COc1cc2cc3c(c(O)c2c(O)c1CC=C(C)C)C(=O)C[C@@](C)(OCC=C(C)C)C3 14883308 MPXSHBIHEJUKIP-SANMLTNESA-N 424.537 5.639 0 1 HKAF biogenic COc1ccc(CCN2CCC[C@H]2CO[C@@H](c2ccccc2)c2ccc(F)cc2)cc1 27198526 OAIPEBVIVGXXCA-BDYUSTAISA-N 419.540 5.647 0 1 HKAF COc1ccc(-c2cc(NCCN(C)C)c3ccc(C(F)(F)F)cc3n2)cc1F 28640690 CDYYXEXPFWSUQQ-UHFFFAOYSA-N 407.411 5.042 0 1 HKAF O=C(O)c1ccc(Cn2c(CC(F)(F)F)nc3cc(Cl)c(Cl)cc32)cc1 28817679 MPCBSCDQOOATER-UHFFFAOYSA-N 403.187 5.194 0 1 HKAF O=C(Nc1ccccc1)N1C(c2ccccc2)=N[C@@H](c2ccccc2)[C@@H]1c1ccccc1 31829617 PRBTUOYSWHEHNE-UIOOFZCWSA-N 417.512 6.464 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC(CO)CO 32840872 NHNGEAQTTQPSCX-KUBAVDMBSA-N 402.575 5.361 0 1 HKAF endogenous,in-man Clc1ccc(Nc2nc3ccc(I)cc3[nH]2)cc1Cl 40393157 UYPROHXGNUIRSI-UHFFFAOYSA-N 404.038 5.218 0 1 HKAF CC(C)CNC(=O)/C=C/[C@H]1C[C@H]1[C@H]1C[C@H]1[C@H]1C[C@H]1[C@H]1C[C@H]1[C@H]1C[C@H]1/C=C/[C@@H]1C[C@@H]1C 40748816 SZYJBOHZBFNTMP-GEBLNZEFSA-N 407.642 5.708 0 1 HKAF in-vitro CC(C)=CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 40893753 JGBRCVYPUYKCSI-CDBKXJQXSA-N 416.646 5.250 0 1 HKAF Fc1ccc2nc(-c3cccc(-c4ccc(CNC[C@H]5CCCO5)cc4)c3)[nH]c2c1 45302153 FALYBOCSJXJNLZ-JOCHJYFZSA-N 401.485 5.305 0 1 HKAF COc1ccc(-c2ccnc3cc(-c4cccc(Cl)c4)nn23)cc1OC1CCCC1 45370629 HCMNDTLLSQCKRQ-UHFFFAOYSA-N 419.912 6.047 0 1 HKAF O[C@@](c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1ccccc1Cl)C(F)(F)F 49113319 DYFMSSLEGYQXOR-FQEVSTJZSA-N 420.793 5.616 0 1 HKAF O[C@H]1CN(CCCCc2ccccc2)CCc2cc(OCc3ccccc3)ccc21 64559248 IVXXSCFPBJLDFZ-MHZLTWQESA-N 401.550 5.180 0 1 HKAF Brc1ccc([C@]2(Cc3ccccc3)c3ccccc3-c3nccn32)cn1 72109390 GPGVMZLHRUEVAN-JOCHJYFZSA-N 402.295 5.056 0 1 HKAF Cc1cccc(N(Cc2ccccc2)Cc2coc(-c3ccc(Cl)cc3Cl)n2)n1 72185004 VQHHUTDATGOFAM-UHFFFAOYSA-N 424.331 6.559 0 1 HKAF CC[C@@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N2CCC[C@H]3CCCC[C@@H]32)n1 82066894 YSTJSTWIVGRPAL-HLIPFELVSA-N 411.550 5.042 0 1 HKAF CC[C@@](C)(CCC[C@H](C)CCCC(C)C)CC[C@@H](C)CCC[C@@H](C)CCCC(C)C 102191904 BMQOPLQIXUYINH-XJYHXZFBSA-N 422.826 11.084 0 1 HKAF N=c1c2c(ccn1-c1ccccc1)Oc1ccc3ccccc3c1[C@@H]2c1ccccc1 102579382 KDGZGNBQTCOAKO-VWLOTQADSA-N 400.481 6.396 0 1 HKAF CC(C)(C)Cc1c(Br)sc(N)c1C(=O)c1ccc(Cl)c(Cl)c1 103226691 RJVNHHJZWDZEHV-UHFFFAOYSA-N 421.187 6.219 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCC(=O)N1Cc1ccc(Oc2ccccc2)cc1 166850417 QDIASNGSQGQKNP-NRFANRHFSA-N 403.478 5.360 0 1 HKAF C[Si](C)(C)c1ccc(C2=C(Cc3ccccc3)c3ccccc3C3=NCCCN32)cc1 195341416 DKZLYPMSFIYSTJ-UHFFFAOYSA-N 422.648 5.809 0 1 HKAF CC(=O)OC/C(C)=C/CC/C(C)=C/CC[C@]1(C)C=Cc2c(c3ccccc3oc2=O)O1 238741411 KQUCHSKUSYALBF-GPWPALQJSA-N 422.521 5.973 0 1 HKAF CO[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CCCC(C)C 255211988 GGNMCEMUZBBANL-GHOJCHEFSA-N 416.690 7.302 0 1 HKAF FC(F)(F)c1c(Br)ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c12 586885265 LTIGLWDFCVCOKY-KPZWWZAWSA-N 407.233 5.716 0 1 HKAF O=Cc1ccc(OCc2occc2-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 586900763 LVRBQWKEZCRVOH-UHFFFAOYSA-N 402.328 5.113 0 1 HKAF Cc1ccc2c(ccc3nc([C@H](Cc4cccc(Br)c4)CC(C)C)[nH]c32)n1 586983199 WZXYHYJOBZFYKW-KRWDZBQOSA-N 422.370 6.554 0 1 HKAF CC1(C)OCc2cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)ccc2O1 586991787 QCJYZCHPWHESIX-UHFFFAOYSA-N 409.441 5.464 0 1 HKAF FC(F)(F)Sc1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 587005384 GPUYWENLWYHPCV-UHFFFAOYSA-N 409.618 5.048 0 1 HKAF Fc1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1Br 587073098 BDKSRBPXTOWCAW-OAHLLOKOSA-N 408.702 5.455 0 1 HKAF Oc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 587075802 KKQRXYHSZISRLI-SSZFMOIBSA-N 423.903 6.624 0 1 HKAF CCCOc1cc2nc(Cc3ccccc3C(F)(F)F)[nH]c2cc1Br 587098919 UQTFPOIZIFMKHE-UHFFFAOYSA-N 413.237 5.724 0 1 HKAF FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c(Cl)cncc4[nH]3)n2n1 587119809 GBAQLBXKGGWHMW-UHFFFAOYSA-N 414.778 5.007 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3F)nc2c1 587152338 LZSWLVWYCHZUAR-NEPJUHHUSA-N 421.241 5.051 0 1 HKAF CC(C)c1ccc([C@H]2CC(=O)Cc3nc4cccc5c4c(c32)-c2ccccc2C5=O)cc1 587206472 DMFBKJKHUWOASP-HSZRJFAPSA-N 417.508 6.217 0 1 HKAF c1ccc(COc2ccc(-c3ccccc3-c3cc4c5c(cccc5n3)CC4)cc2)cc1 587212544 BGMPPICHWJJSQA-UHFFFAOYSA-N 413.520 7.246 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@@H]2Cn2ccnc2)[C@H]1c1ccc(F)cc1 587342318 MYXGSPAGFQKBGW-DPQOWFAMSA-N 420.484 5.106 0 1 HKAF CC1(C)CCc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587352374 IXYWQBSJZVNBLG-JYFHCDHNSA-N 402.465 5.758 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCCC[C@H]3c2ccccc2)c1 587365584 HMAYBAPEQRIBFS-QFIPXVFZSA-N 419.524 7.515 0 1 HKAF CCCCC[C@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421013 YXRFBOGYNBSFEU-XMSQKQJNSA-N 415.327 5.681 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1cc4c(cc1C)C(C)(C)[C@H](C)CC4(C)C)[C@@H](C2)C3=O 587445121 HZMQVBNCWGINBL-RELWFGSHSA-N 418.577 6.261 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3c(Br)cccc13)CC2=O 587458080 FXBQZJQTOIDXRD-OAQYLSRUSA-N 414.299 5.469 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccc(C)c(Cl)c3)cc1)CC2=O 587460986 IGBWBRYWULFTOF-AREMUKBSSA-N 420.936 6.854 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C(=O)OC(C)(C)C)c3ccccc13)CC2=O 587474098 BACUGMGMOANACR-JOCHJYFZSA-N 421.493 5.789 0 1 HKAF O=C1C[C@@H](c2ccc(SCc3ccccc3)cc2)Oc2c1ccc1c2CCCC1 587531257 GZFOOPKWIIMXDQ-VWLOTQADSA-N 400.543 6.564 0 1 HKAF COc1ccccc1[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600605 ORQQNFSLJYVYPU-PXDATVDWSA-N 404.462 5.304 0 1 HKAF CC[C@H](OC)c1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587789262 BXKGFGVPQLBYSG-UBWHGVKJSA-N 406.339 5.483 0 1 HKAF CCOc1ccc2ccccc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587800937 HZWVCHUEAAFGDJ-WHEQGISXSA-N 414.318 5.764 0 1 HKAF Cc1ccc(C)c([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587816034 SNCFVGFEUDYFIF-XDHUDOTRSA-N 424.357 6.031 0 1 HKAF CC(C)c1ccc([C@]2(C(C)(C)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587826285 KGFSMVMPRCWLKU-PEBXRYMYSA-N 420.366 5.260 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccccc3)o2)N1 587827199 IHPYFCOXJHIMMQ-ZSEKCTLFSA-N 416.290 5.384 0 1 HKAF Cc1nc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cs1 587855741 VURSVWLXEBVSHI-YYSFKGJASA-N 423.376 5.705 0 1 HKAF O=C(c1ccc(COc2ccc(Cl)cc2)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587874337 VRQGWMHSHMWUFE-UHFFFAOYSA-N 420.827 5.716 0 1 HKAF O=C1N(Cc2ccccc2)c2ccc(Cl)cc2[C@]12Nc1ccccc1-n1cccc12 653691225 JYUCXUVFSADPEI-RUZDIDTESA-N 411.892 5.347 0 1 HKAF FC(F)(F)c1cc(/C=C\c2cc3ccccc3nc2Cl)cc(C(F)(F)F)c1 653798448 WWQPNRYVJMBMMH-WAYWQWQTSA-N 401.737 7.096 0 1 HKAF COc1cc(C)c(-c2ccc([C@H]3c4c(ccc(OC)c4OC)C[C@H](C)N3C)s2)cn1 962572096 PPJRPEOFIPQPER-WNSKOXEYSA-N 424.566 5.110 0 1 HKAF COc1cc2c(cc1OC)[C@H](c1nc(-c3ccc(Cl)cc3)cs1)N(C)[C@H](C)C2 962626607 FXCVJCPNQPUCJW-LRTDBIEQSA-N 414.958 5.447 0 1 HKAF c1ccc(Cc2nocc2[C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)cc1 962636948 JOSKDEUPFNVBAE-YWEHKCAJSA-N 421.544 5.102 0 1 HKAF Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@]23NCCc2c(Cl)cc(Cl)cc23)cc1 963113204 VPOLIIVOKMZOKJ-SFTDATJTSA-N 424.393 5.059 0 1 HKAF CCCCCc1ccc([C@@]2(c3ccc(Cl)cc3)NCCc3ccc(O)cc32)cc1 963329082 KUFOBVXJIDWEPO-SANMLTNESA-N 405.969 6.216 0 1 HKAF CCOc1ccc(N2C(=O)[C@H](Oc3ccc(C=O)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 1857544105 JBTARVXBPNPSBP-XZOQPEGZSA-N 421.880 5.087 0 1 HKAF CC1=C[C@H](CNCc2ccco2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o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c2ncnc(N)c21)CCC1=C(C)CC[C@H]2C(C)(C)CCC[C@]12C 2356863663 VHLXLMQWVJKPNC-HFZDXXHNSA-N 423.649 5.942 0 1 HKAF COc1cccc(-c2ccc3c(c2)N(Cc2ccccc2OC)C(=O)[C@H](C)S3)c1 61897634 SHEFICRUXFSVSU-INIZCTEOSA-N 405.519 5.398 0 3 HKAF COCCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1c(F)cccc1Cl 2484898 AEEXFVQJRXCTTI-UHFFFAOYSA-N 423.271 5.221 0 1 HKAF CC(C)(C)Nc1nc(N2CCCCCC2)nc(N(c2ccccc2)c2ccccc2)n1 5249994 GICKARBOFVANBR-UHFFFAOYSA-N 416.573 5.932 0 1 HKAF biogenic COc1ccccc1Sc1ccc(/C=C/C(=O)N2CCOCC2)c(Cl)c1Cl 13470556 BWIPTTGMQIMVBA-VQHVLOKHSA-N 424.349 5.025 0 1 HKAF CSc1ccnc2c1c(Sc1ccc(Cl)cc1)c1n2CCC[C@@H]1CC(=O)O 14020880 GLEGXNCPSWSVAL-GFCCVEGCSA-N 418.971 5.915 0 1 HKAF COc1ccc(-c2cnc([C@H]3[C@@H](c4ccc(Cl)cc4)C[C@@H]4CC[C@H]3N4C)s2)cc1 14978601 PQQIGLGAWBKHRP-NQAVQENRSA-N 424.997 6.206 0 1 HKAF CC(C)(C)NC(=O)Nc1nc2cc(N)ncc2cc1-c1c(Cl)cccc1Cl 21289510 TZTRVJQYPIHZBA-UHFFFAOYSA-N 404.301 5.106 0 1 HKAF CC[C@@H](O)c1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1cccc2ccccc12 26569476 NTFDOHUTBGQNQM-CJFMBICVSA-N 414.524 6.271 0 1 HKAF CCCC/C=C\C1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCCCC1 28711192 KBLJNNCZJNUUHU-CIFQQXJFSA-N 408.626 7.951 0 1 HKAF C[C@]1(C[C@@](O)(CNc2cccc3cnccc23)C(F)(F)F)CCCc2ccccc21 28826246 AEYUJQIHDRFOMU-DHIUTWEWSA-N 414.471 5.624 0 1 HKAF CCCCC1=NC(=O)C2(CCCC2)CN1Cc1ccc(-c2ccccc2C(=O)O)cc1 29391106 HPKBDPLTOMFZCE-UHFFFAOYSA-N 418.537 5.543 0 1 HKAF COc1cc2c(c(O)c1CC=C(C)C)C[C@@H](c1ccc(O)c(CC=C(C)C)c1O)CO2 33832264 WYYPXSKKDUYWFW-QGZVFWFLSA-N 424.537 5.548 0 1 HKAF biogenic,in-vitro CCCc1ccccc1OCCCOc1cc2oc(C(=O)O)cc(=O)c2cc1CCC 39213230 BIQYAKGJUUYTCQ-UHFFFAOYSA-N 424.493 5.244 0 1 HKAF C[C@@H]([C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)[C@H](O)CCC(C)(C)C 40440382 SWBPHHNEYRLOHW-NGEDUAKASA-N 416.690 6.750 0 1 HKAF Cc1cccc2nc(-c3ccc(-c4cccc(CN5CCC[C@H]5CN)c4)s3)[nH]c12 45187685 WBNNWQZAGQVATB-IBGZPJMESA-N 402.567 5.190 0 1 HKAF CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(-c2ccc(C)cc2)nc2ccc(OC)cc12 45188222 KEEAZUSOQKVNRM-VNGIZZMUSA-N 416.565 5.373 0 1 HKAF COc1ccc(-c2noc([C@@H]3[C@@H](c4ccc(Cl)cc4)C[C@H]4CC[C@@H]3N4C)n2)cc1 56727862 UHKLODIEZLNQLP-AYWYSENESA-N 409.917 5.133 0 1 HKAF COc1ccc(-c2csc(N(C(C)=O)c3cc4ccccc4cn3)n2)cc1OC 66075416 NNIRANLTSAKNRW-UHFFFAOYSA-N 405.479 5.060 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12 70455283 KMHJTUNINWRWFT-FRKPEAEDSA-N 406.478 5.812 0 1 HKAF biogenic,in-vitro O=C1CSC(N2N=C(c3ccc(Cl)c(Cl)c3)C[C@@H]2c2ccccc2Cl)=N1 95577330 WBXTYTPVMJUOSX-MRXNPFEDSA-N 424.740 5.427 0 1 HKAF Fc1ccccc1-c1nc2ccn(Cc3ccc(SC(F)(F)F)cc3)cc-2n1 100068506 NGODFORGVOWCMK-UHFFFAOYSA-N 403.404 5.849 0 1 HKAF CC(C)=C(O)Cc1c(O)c(C(=O)CC(C)C)c(O)c2c(-c3ccccc3)cc(=O)oc12 101032525 KRWGFNWOCSIIOI-UHFFFAOYSA-N 422.477 5.494 0 1 HKAF O[C@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H](C1)N2Cc1csc2ccccc12 101185280 VFPMJQLPEIDGKV-YPGOJHLTSA-N 418.389 6.223 0 1 HKAF COc1ccc(OC)c(CNC(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)c1 103187672 UCZHSBFNNOJRRT-UHFFFAOYSA-N 419.521 5.724 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(CO)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 118932598 ACLUPLRKEIYGOI-YNHSGCSHSA-N 413.646 5.739 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cc(-c2ccccc2)ccn1 167768078 ZKGNZWCAJMKJBM-NRFANRHFSA-N 402.494 5.020 0 1 HKAF Cc1cccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCC(F)(F)CC2)c1C 207588996 JTQVHGRELGUEGF-FQEVSTJZSA-N 406.904 5.159 0 1 HKAF Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(CC(C)C)[nH]2)c(C)c1 218558290 MCLPNEGAOTWSQN-UHFFFAOYSA-N 421.541 5.444 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1[C@@H](O)C3 255235895 MPCLLXXLNXORCU-PMPDEHQPSA-N 402.663 6.504 0 1 HKAF CC(C)CC(=O)C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]12C 261524833 WCONBNFLHMTKFI-SEXRMTLHSA-N 416.646 5.539 0 1 HKAF C[C@@H]1C[C@@H]1c1cc(NC(=O)Nc2ccc(C(F)(F)F)cc2)n(CC(F)(F)F)n1 299829180 TZRXUBZFLCGBEA-SKDRFNHKSA-N 406.330 5.232 0 1 HKAF CCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1ccccc1C(F)(F)F 473104937 QHQBMMZCZZJHTR-UHFFFAOYSA-N 404.392 5.058 0 1 HKAF N=c1[nH]cc(C2CCNCC2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12 473136425 RIAZFKVGASTEOX-UHFFFAOYSA-N 401.535 5.635 0 1 HKAF CC1(C)COc2c(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)cccc21 586910832 BUHXXZKMTACIQK-UHFFFAOYSA-N 400.322 5.938 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586916910 PIINUQWMBMOMLJ-HXPMCKFVSA-N 424.806 5.331 0 1 HKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 587061975 MHZGCZDQJGAHDO-INIZCTEOSA-N 423.738 6.296 0 1 HKAF COc1ccc([C@@H]2CC(=O)Cc3nc4cccc5c4c(c32)-c2ccccc2C5=O)cc1 587107912 XINXBVPTHIFGQL-NRFANRHFSA-N 405.453 5.102 0 1 HKAF Clc1c(Br)cnc2[nH]c(-c3cccnc3NCc3ccccc3)nc12 587229642 JUMXHQZJSCQTNF-UHFFFAOYSA-N 414.694 5.048 0 1 HKAF CCCCCOc1cc2nc(-c3ccc4ccccc4c3N)[nH]c2cc1Br 587253970 IUZVSHSLIOOWKM-UHFFFAOYSA-N 424.342 6.297 0 1 HKAF O=C1c2ccc(O)cc2OC2(CC(COCc3ccccc3)C2)[C@@H]1c1ccc(F)cc1 587353551 QZEGYGBWWRPEKG-RMIBCPJUSA-N 418.464 5.256 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CC3(CCC3)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 587356419 JSWTTWUXSKAXMU-BVAGGSTKSA-N 416.448 5.491 0 1 HKAF Cc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc12 587357073 SFIQGECCYDTAPC-AHKZPQOWSA-N 412.460 6.267 0 1 HKAF COc1cccc(-c2cc(CC(=O)N3CCCC[C@H]3C)nc3c2oc2ccccc23)c1 587362455 FHNXRWZFLPDSOA-QGZVFWFLSA-N 414.505 5.600 0 1 HKAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1ccc(F)cc1 587385117 RJPPURDOPLNBDE-JOCHJYFZSA-N 407.441 5.010 0 1 HKAF CCN(CC)c1ccc([C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587427755 FRXQNWRYRBYTIB-YIXXDRMTSA-N 413.517 5.233 0 1 HKAF COc1cc2c3c(c1)O[C@]1(CCCc4cc5c(cc41)-c1ccccc1CC5)[C@@H](C2)C3=O 587446828 GLNYIPRYVNLMRU-CUBQBAPOSA-N 408.497 5.440 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(=O)O)cc3)cc1)CC2=O 587478874 CETZAYJKRXIJKA-HSZRJFAPSA-N 402.446 5.416 0 1 HKAF O=C1C[C@@]2(C[C@H](c3ccccc3O)Oc3ccccc32)Oc2c1ccc1c2CCCC1 587536970 ZRCJZDLHTXFVPV-VPUSJEBWSA-N 412.485 5.656 0 1 HKAF CCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587541552 FPZALQTWVBNSMD-NZQKXSOJSA-N 410.853 5.537 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OC2CCCC2)c1 587598903 CEJJXFQBFVVSEG-DHLKQENFSA-N 402.446 5.417 0 1 HKAF Cc1ccc([C@]2(C3CCCCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587603040 MNVPZQBSZLVFIJ-SQHAQQRYSA-N 414.501 6.138 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-n1cnc2ccccc2c1=O 587628229 PLPDWMFLJUJKKP-UHFFFAOYSA-N 411.305 5.213 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)cc2Cl)N1 587691693 CYDOTRJIJNYWEO-HUTHGQBESA-N 403.122 5.693 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)ccc2Cl)N1 587692747 LOWPYCBNTVWPHF-XYZCENFISA-N 403.122 5.693 0 1 HKAF Cc1cc(Cl)cc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)nc12 587699044 PCJBQVWLBKEANW-YBTHPKLGSA-N 419.725 5.722 0 1 HKAF Cc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587708822 DZXBEKXPQWHZSM-APPDUMDISA-N 402.229 5.237 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CCC(F)(F)F)c2)N1 587708953 GOQOHYXKXGOGCG-BBATYDOGSA-N 416.256 5.707 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(F)cc2F)N1 587725336 PRHIHYGJONAYAX-BIBXISHDSA-N 421.260 5.281 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCSc3c(F)ccc(F)c32)N1 587737911 IEKIZPPYPOMNFN-LZVRBXCZSA-N 414.290 5.140 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCN(Cc3ccccc3)C2)N1 587767989 SKXUANLJAKUQJH-KSFYIVLOSA-N 417.366 5.004 0 1 HKAF CC[C@H](C)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587808842 QYAXXSQTQZAHHX-BYVOGVQKSA-N 406.339 5.734 0 1 HKAF CCCCCc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587814003 FICAKZQLWAYJRC-IVZQSRNASA-N 404.367 6.119 0 1 HKAF C[C@@H](Cc1ccc(C(C)(C)C)cc1)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587821437 VATDLGCAFFSVED-SMASLZHESA-N 418.394 6.340 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3nccs3)cc2)N1 587852812 JHPLAIWLNMFODP-ADLMAVQZSA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCc1ccc(O)cc1 587858554 KCUGCCRDFPEDDI-UHFFFAOYSA-N 405.281 5.234 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cl)cc1O 587864742 KECUKRDJNZBGBN-UHFFFAOYSA-N 410.779 5.015 0 1 HKAF Cc1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(F)cc3)cs2)cc1 587921821 AYRBKSTXWTUMLG-HXUWFJFHSA-N 413.521 6.509 0 1 HKAF CSc1ccc(-c2csc(Cc3ncc(C(F)(F)F)cc3Cl)n2)cc1 587924489 ALZLPFMMLIOHIN-UHFFFAOYSA-N 400.878 6.190 0 1 HKAF COc1cccc([C@H](C)Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 587932015 RGLUQKSSCUWXJQ-SNVBAGLBSA-N 413.237 5.699 0 1 HKAF FC(F)(F)c1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cc1Cl 587948469 DGPMVJASPFPRFN-UHFFFAOYSA-N 402.803 6.618 0 1 HKAF Clc1cc(Br)c2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc2c1 587954667 AIUJSVHKENCYSR-QGZVFWFLSA-N 411.730 6.353 0 1 HKAF Cc1ccc([C@@]2(c3ccc(N)cc3)NCCc3cccc(-c4ccccc4)c32)cc1C 962664528 OPSZOAMXWVOBFK-GDLZYMKVSA-N 404.557 5.990 0 1 HKAF FC(F)(F)c1ccc([C@@]2(C3CC3)c3ccsc3CCN2Cc2cccnc2)cc1 963000329 VHDCLHIWWMMDKH-QFIPXVFZSA-N 414.496 5.874 0 1 HKAF O=C(O)CCCCC[C@]1(c2ccc(F)cc2)NCCc2c(Cl)cc(Cl)cc21 963101482 BMYNZLDYRGAYJC-OAQYLSRUSA-N 410.316 5.557 0 1 HKAF Cc1ccccc1[C@]1(CCCCCC(=O)O)NCCc2c(Cl)cc(Cl)cc21 963108415 LUWMBMMNHDCPCD-QFIPXVFZSA-N 406.353 5.726 0 1 HKAF CSc1ccccc1CC[C@]1(c2ccc(C)cc2C)NCCc2cc(Cl)ccc21 963390889 ODTMZCFNHKUJPM-AREMUKBSSA-N 422.037 6.701 0 1 HKAF Cc1cc(C(=O)O)ccc1-n1nc(Oc2c(Cl)cccc2Cl)c2ccccc21 1772599394 XGSYAXVEBQQSFQ-UHFFFAOYSA-N 413.260 6.131 0 1 HKAF Fc1ccccc1CC[C@@H]1CN(Cc2c[nH]c3cc(Cl)ccc23)CCC1(F)F 1772602969 FUCUSCARHYQUSH-QGZVFWFLSA-N 406.879 6.050 0 1 HKAF Clc1ccc(OCCCn2c3c(c4c(Br)cccc42)CCNC3)cc1 1857587337 WGQYBGGDGUMCEE-UHFFFAOYSA-N 419.750 5.172 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@@H](C)[C@H]12)C(C)C 2356621979 XEEOCMDRLJGHAY-OJHNABABSA-N 414.718 7.881 0 1 HKAF FC(F)(F)c1cc(CCN2C(S)=NC[C@@H]2c2ccccc2)cc(C(F)(F)F)c1 15952319 SLSRGZUSUKVQAR-MRXNPFEDSA-N 418.406 5.609 0 3 HKAF O=C(Nc1ccc(Cl)cc1Cl)O[C@@H]1CCC12CCC(c1ccccc1)CC2 205706951 JJFQZIQODBUBIT-PWOUQQLPSA-N 404.337 7.049 0 3 HKAF COc1cc(O)c(Cc2ccc(O)cc2)c2c1-c1ccc(O)c(CC=C(C)C)c1CC2 13480525 SVEKHSLQCDXEMG-UHFFFAOYSA-N 416.517 5.677 0 1 HKAF biogenic C[C@@H](c1ccc(C2CCCCC2)cc1)N1CCC(N2C(=O)Cc3ccccc32)CC1 13579330 KVNPCTLYRRUZDP-FQEVSTJZSA-N 402.582 5.849 0 1 HKAF CCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO 13679520 OSHWPCDXHKYMLM-FARPMTRTSA-N 403.651 6.657 0 1 HKAF CCN1C(=O)[C@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc21 28243083 JOLOUZJAXJSROX-QHCPKHFHSA-N 411.480 5.122 0 1 HKAF Oc1ccc([C@]2(c3ccc(OCc4ccc5ccccc5n4)cc3)C[C@H]3CC[C@@H]2C3)cc1 29040768 WEASJDHFFGWSTR-LASKTHCNSA-N 421.540 6.626 0 1 HKAF O=C(c1ccccc1)N1N=C(c2ccc(-c3ccccc3)cc2)C[C@H]1c1ccccc1 29128862 KFIGZKHHGVSRGC-MHZLTWQESA-N 402.497 6.345 0 1 HKAF CN[C@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 36324355 ATUPAULHDXBCOY-GBESFXJTSA-N 417.393 5.775 0 1 HKAF CC(C)C[C@H](C(=O)O)c1ccc(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1 43203471 KFCPNHDJLPISTI-FQEVSTJZSA-N 406.444 6.376 0 1 HKAF Cc1ccc(CCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 45285677 VFCNPRIWDSWJIG-UHFFFAOYSA-N 413.605 5.966 0 1 HKAF Cc1cc(-c2nc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)cs2)no1 49053199 YEXIBZKBLZVZSI-OAHLLOKOSA-N 404.539 5.349 0 1 HKAF O=S(=O)(Cc1ccccc1)N1CC=Cc2ccccc2[C@@H]1c1c[nH]c2ccccc12 59243216 GKGZHBJKEIVYHI-RUZDIDTESA-N 414.530 5.116 0 1 HKAF CCCCCc1nc(-c2cnc(NCCCOC)nc2-c2ccccc2F)oc1C 82175114 IWOYOQVZABZBAQ-UHFFFAOYSA-N 412.509 5.427 0 1 HKAF CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2cccs2)C2=C(O)CCCC2=N1 104006808 XELXKECLSILABT-HXUWFJFHSA-N 400.450 5.473 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCCC(=O)N1Cc1cccc(-c2nccs2)c1 167689734 GFLSKNPRHIWYPP-IBGZPJMESA-N 422.550 5.471 0 1 HKAF CCN(CC)C[C@@H](O)c1cc(-c2cccs2)nc2cccc(Br)c12 169335273 XSUOZAYJBJSNGK-QGZVFWFLSA-N 405.361 5.101 0 1 HKAF CC[C@@H]1C(=O)N(C2CCN([C@@H]3CC[C@@H]4CCCc5cccc3c54)CC2)c2ccccc21 169341817 VPIVGIRSGLBSJH-UWDQQESISA-N 414.593 5.946 0 1 HKAF Cc1ccc2cccnc2c1NC(=O)c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)cc1 169721961 IDGGHACGZPRUBM-HDICACEKSA-N 423.472 5.138 0 1 HKAF COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 199853415 ARGWKCNXOVDSJY-UHFFFAOYSA-N 414.383 5.219 0 1 HKAF CC(C)=CCC/C(C)=C/CC[C@H](C)[C@@]1(C)CC[C@H]2C1=CC[C@H]1C(C)(C)CCC[C@@]12C 238750142 YURSMGRVNUWHIG-OZUOMQAGSA-N 410.730 9.674 0 1 HKAF C[C@H](CCC(=O)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@@]45C[C@@]35CC[C@]12C 255264396 SFUNNIZAWKFFIO-KFGNOXNQSA-N 416.646 6.287 0 1 HKAF CCCc1ccc(C(=O)c2cc(O)c(-c3cc(Cl)cc(Cl)c3)c(O)c2)cc1 473096896 CKDJCZKVSRIGJP-UHFFFAOYSA-N 401.289 6.255 0 1 HKAF Cc1cc(-c2nc3ncc(Br)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586879242 MUDHMZMHZAUCKY-UHFFFAOYSA-N 408.255 5.061 0 1 HKAF FC(F)(F)Oc1cc(Br)cc2[nH]c(-c3ccc(C4CCC4)cc3)nc12 586881256 RWMPFRQFXLQWKK-UHFFFAOYSA-N 411.221 6.159 0 1 HKAF CCc1ccc2[nH]c(-c3ccc(S(=O)(=O)Nc4cccc(C)c4C)cc3)nc2c1 586947670 ZJFWZLSLZWPUNL-UHFFFAOYSA-N 405.523 5.210 0 1 HKAF Cc1cc(Cl)cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 587000207 HAYXVOQOLFINOS-IHWYPQMZSA-N 405.679 5.229 0 1 HKAF COc1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 587001330 WFRTUYPUDNPYFW-UHFFFAOYSA-N 409.287 5.008 0 1 HKAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)cs1 587019106 GIVDFWMQEKWCRE-UHFFFAOYSA-N 419.844 5.186 0 1 HKAF Clc1ccc(CN2CCC[C@H]2c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 587077163 QXJVJWWJAMYYEI-QHCPKHFHSA-N 403.913 6.346 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(/C=C\c4ccc(F)cc4F)[nH]c3c2)cc1 587152125 YSGPCHCPIUFMEH-WZUFQYTHSA-N 406.388 5.590 0 1 HKAF Cc1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1C 587178555 FDEWJMHMBGOGJZ-UHFFFAOYSA-N 416.184 5.470 0 1 HKAF CC(C)Oc1ccc2nc(-c3cc(I)ccc3Cl)[nH]c2c1 587183486 VQTHUAZVIXQBTA-UHFFFAOYSA-N 412.658 5.275 0 1 HKAF Cc1ccc(F)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1Cl 587329293 DLWRNDXJSSMJPS-XXBNENTESA-N 414.835 5.907 0 1 HKAF Cc1cc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1C=O 587350215 DIJHAJDIFQKNHV-RSXGOPAZSA-N 418.464 5.543 0 1 HKAF CCSc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587368930 BONYAGQJVDGKQP-VWNXMTODSA-N 408.494 5.918 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCN(C)C)(c1cccc3ccccc13)CC2=O 587471007 XSWAHJUBCKYNCK-SANMLTNESA-N 403.522 5.310 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C=O)cc3)cc1O)CC2=O 587478721 BPVZUFXDSDIWDF-DEOSSOPVSA-N 402.446 5.236 0 1 HKAF O=C1C[C@H](c2ccc3ccccc3c2Br)Oc2c1ccc1c2CCCC1 587500435 WVCYYZGQJBDPDN-OAQYLSRUSA-N 407.307 6.188 0 1 HKAF CCN(CC)C(=O)Nc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587507057 QZKGFQWUHCHCCY-RUZDIDTESA-N 406.526 5.320 0 1 HKAF CC(C)(C)c1ccc(-c2cnc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587513135 AYPZXHVQVBSREW-QFIPXVFZSA-N 401.506 6.224 0 1 HKAF CC[C@H](C(=O)O)n1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587516756 WERFWOADBPSGOI-QFQXNSOFSA-N 417.505 5.436 0 1 HKAF NC(=O)N1c2ccccc2C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587518983 SABKQBZSSWPYAJ-MHZLTWQESA-N 424.500 5.199 0 1 HKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1ccccc1)Oc1ccccc12 587536484 UNYXGEMTKNCBLN-SHQCIBLASA-N 410.469 5.129 0 1 HKAF Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]c2c(Cl)cccc12 587551419 FEUDFFNUANHCNW-MBSDFSHPSA-N 405.837 5.538 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Oc2ccccn2)c1 587584683 ADXQQPKFDLWWSQ-DHLKQENFSA-N 411.413 5.282 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Oc2ccccc2)c1 587598915 CIFFMWASDZXPLT-JYFHCDHNSA-N 410.425 5.887 0 1 HKAF Cc1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 587600186 MQJMWQYZRTZYFA-SQHAQQRYSA-N 424.452 6.196 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccs2)s1 587611310 HWIOWFPFEYLDGO-DENIHFKCSA-N 406.484 5.885 0 1 HKAF CCOc1ccc(-c2[nH]c3ccc([C@@H](C)CC)cc3c2-c2ccc(Cl)cc2)cc1 587639833 DTGCZICYXMRQCF-KRWDZBQOSA-N 403.953 8.068 0 1 HKAF Cc1ccc(C)c2sc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nc12 587656092 AOEOKGTVYILHTM-UHFFFAOYSA-N 419.456 5.557 0 1 HKAF Cc1ccc(NC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(Cl)c1 587656953 NOEVREURXFVICB-UHFFFAOYSA-N 407.832 5.245 0 1 HKAF COc1c(C)cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587692527 LAPMVMXXTHXYPA-WLRWDXFRSA-N 412.730 5.356 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCc3ccc(Cl)cc32)N1 587696314 JVVBTTZIISRJKP-FKIZINRSSA-N 408.742 5.746 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2C(F)(F)F)N1 587713104 RNEGBMCGBRXYEH-BCTVWOGZSA-N 406.192 5.370 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2OC(F)(F)F)N1 587718298 IHALZYLETDMIRB-PWJLMRLQSA-N 422.191 5.250 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3)c(F)c2)N1 587724542 IXQATULCGNBFLA-WHEQGISXSA-N 414.293 6.018 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2Cc2ccccc2F)N1 587726325 IJTUKPZFKYNLME-LRTDBIEQSA-N 417.297 5.201 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2n(C)c2ccccc32)N1 587757518 OHDUEJWBKHOAFN-XMHCIUCPSA-N 413.334 5.194 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC2CCCCC2)(c2ncccn2)N1 587775835 UHNGTEJOQBIRGH-LHSJRXKWSA-N 418.354 5.126 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C23CC(CC(=O)OC(C)(C)C)(C2)C3)N1 587797873 YCETWALFZMZZRZ-SDEWKKIUSA-N 424.354 5.066 0 1 HKAF Cc1cc(C)c(C(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587809843 BKLLXVJIXONVDJ-OYHNWAKOSA-N 418.350 5.536 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccccc1CCc1ccccc12 587825795 FLSRWAPSKJEKMU-HNNXBMFYSA-N 422.341 5.513 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2C2CCOCC2)N1 587836393 UEGLAOODGSXDFB-YEJXKQKISA-N 404.323 5.106 0 1 HKAF COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(CSC(C)=O)c1O 587942011 TUMGXQHVWHWVPL-UHFFFAOYSA-N 419.886 5.123 0 1 HKAF Cc1cc(-c2ncc(CC(=O)Nc3ccc4c(c3)oc3ccccc34)cc2C)ccn1 653712803 PREKXANZMDTWNO-UHFFFAOYSA-N 407.473 5.841 0 1 HKAF CCOc1cc([C@H]2c3cc(OC)ccc3CCN2C(C)C)cc(Cl)c1OCC 962094807 XNVNUQNMGYIJJK-QFIPXVFZSA-N 403.950 5.502 0 1 HKAF Cc1ccccc1[C@]1(C[C@@H](C)CC(=O)O)c2ccsc2CCN1Cc1cccn1C 962376819 QVYZSIDDGLDBMY-AVRWGWEMSA-N 422.594 5.198 0 1 HKAF Fc1cc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)ccc1OC(F)F 962635257 HUGOUNYLSABNBS-YKSBVNFPSA-N 424.466 5.263 0 1 HKAF c1ccc(-c2cccc3c2[C@@](CCCC2CCCCC2)(c2ccccn2)NCC3)cc1 962665834 QSABIGMRFJYYCK-GDLZYMKVSA-N 410.605 6.889 0 1 HKAF CCCCc1ccc([C@]2(c3ccc(Cl)nc3)NCCc3nc4ccccn4c32)cc1 962984300 CKPJWGCABNFZPO-RUZDIDTESA-N 416.956 5.163 0 1 HKAF C[C@@]1(c2cccc(-c3cc(C(=O)O)ccc3F)c2)c2c(F)cccc2C[C@@H]2CCCN21 963118918 ZYGFROHXLSBIRI-RXFWQSSRSA-N 419.471 5.614 0 1 HKAF CC1=C(/C=C\C(C)=C\C=C(C(\C)=C\C(=O)O)/c2cccc(C(=O)O)c2)C(C)(C)CCC1 1549653315 XKKDQOHDTASHCE-ARWGAOHDSA-N 420.549 6.828 0 1 HKAF COc1ccc(-c2c3sc(=NCc4ccccc4)nc-3[nH]c3c2CCCC3)cc1 1857618918 POOBYBZCBRUWPE-UHFFFAOYSA-N 401.535 5.231 0 1 HKAF CN(C)C(=O)CCc1ccc(-c2nc3c[nH]c4nccc-4c3n2C2CCCCC2)cc1 1857637873 GPXBNINJCMZSDD-UHFFFAOYSA-N 415.541 5.057 0 1 HKAF CNC(=N)c1ccc2cc(-c3ccc(-c4cc5ccc(C(=N)NC)cc5[nH]4)cc3)[nH]c2c1 1857768004 HZJBKAOLJMRPRP-UHFFFAOYSA-N 420.520 5.073 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCC[C@@](C)(O)C=Cc1cc(O)c(C)cc1O 2356607627 XWQHOLPJPWBQKN-HHHXNRCGSA-N 412.614 7.370 0 1 HKAF OCC1(Cc2ccccc2)CCN(Cc2cnc(-c3cccc4ccccc34)nc2)CC1 11842594 PYLBTEZCLMSYIK-UHFFFAOYSA-N 423.560 5.114 0 3 HKAF C[C@@]1(C(=O)Nc2cccc3ccccc23)CCN1C(=O)C1(c2ccccc2)CCCC1 61905762 WSMJTLYCVGGJTF-SANMLTNESA-N 412.533 5.281 0 3 HKAF CCCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1cccc2ccccc12 2481123 GIVOAQNJEIIIIZ-UHFFFAOYSA-N 404.897 6.345 0 1 HKAF CCOc1ccc([C@@H]2[C@H](CCCc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 3787260 GNOYFLHPLMDULN-IZZNHLLZSA-N 415.533 5.821 0 1 HKAF Cc1cc(OCCN2CCCCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 3951934 BVRRONNTZTZWBH-UHFFFAOYSA-N 406.501 5.853 0 1 HKAF Cc1ccc(Nc2nc3ccc(C(=O)Nc4c(C)cc(C)cc4C)cc3s2)nc1 13536554 VXWFPDLQJXBGTP-UHFFFAOYSA-N 402.523 5.921 0 1 HKAF COc1ccccc1N1CCN(CCCCC2=CCCc3c(OC)cccc32)CC1 13740668 FDLXYGCUGATCMA-UHFFFAOYSA-N 406.570 5.026 0 1 HKAF C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]1[C@@H]2C 15449236 GMBQZIIUCVWOCD-CWWMTQEDSA-N 416.646 5.794 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@](C)(C[C@H](O)C3=CC(=O)O[C@@H]3O)CCC[C@@]21C 26971960 JSDANYFQRXTLHP-FQZAKROXSA-N 406.607 5.224 0 1 HKAF O=C1C[C@@H](c2ccc(C3CCCCC3)cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 27101392 ASAVWMWIDYCBAF-SFHVURJKSA-N 405.925 6.142 0 1 HKAF CCc1nn(C(C)=O)c(CC)c1CCCCCCOc1ccc(OC)cc1Cl 27847464 OYBBRJSQQBRJIJ-UHFFFAOYSA-N 406.954 5.512 0 1 HKAF COc1ccc([C@@]2(Cc3ccccc3)C(=O)Nc3ccccc32)cc1OC1CCCC1 29472102 UXJYPKXCCYKLDR-HHHXNRCGSA-N 413.517 5.498 0 1 HKAF O=C(Nc1nccs1)[C@H](CC1CCCC1)c1ccc(SC(F)(F)F)cc1 38853465 PTGLJEXOWPNUTH-OAHLLOKOSA-N 400.491 6.058 0 1 HKAF COc1ccccc1-c1ccc(C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc1 40411662 ZTVBNZAVVRLFTO-QHCPKHFHSA-N 401.506 5.184 0 1 HKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C[C@]2(O)c1ccnn1C 45168075 HEESPKVKRSKCJE-UAVUOLJFSA-N 400.563 5.243 0 1 HKAF O=C(O)Cc1sc(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1ccco1 45338223 HLCSBAACBHCEIF-UHFFFAOYSA-N 411.429 5.489 0 1 HKAF Nc1ccccc1Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21 45387592 IXNLGRZTCZXHMT-UHFFFAOYSA-N 414.505 6.278 0 1 HKAF O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 64274606 IQLBXWFUBCPMFQ-HXUWFJFHSA-N 411.288 5.204 0 1 HKAF Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@@H](c1cccc(F)c1)C1CC1 64453659 XYLWKIBFKJRZRI-XMMPIXPASA-N 411.480 5.504 0 1 HKAF O=C(NCc1cccc(F)c1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 71294193 PFBDMRFQRDXNNZ-UHFFFAOYSA-N 413.408 5.219 0 1 HKAF CN(Cc1ccccc1)C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 72112592 FWJJFJOHDWBAQD-CCHFCTFWSA-N 423.641 5.461 0 1 HKAF Cc1ccccc1-c1nc(N[C@@H]2CCCC[C@H]2C)ncc1-c1nc2ccccc2s1 82177225 PVJOAPJMMFHZGQ-YLJYHZDGSA-N 414.578 6.719 0 1 HKAF O=C(Nc1cccc(Nc2ccc3c(c2)CCc2ccccc2C3=O)c1)c1ccccc1 95571606 DBKWYTHZXKHJQG-UHFFFAOYSA-N 418.496 6.012 0 1 HKAF CCCCCCOc1ccccc1-c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)no1 96911095 KZUDHSJIWYUQLC-UHFFFAOYSA-N 422.569 5.999 0 1 HKAF CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC2CCCC2)cc1 103993375 YYNHKKXHHARWAD-QHCPKHFHSA-N 423.553 6.015 0 1 HKAF NC1(c2ccc(-c3nc4cc(-c5ccncc5)ccn4c3-c3ccccc3)cc2)CCC1 113658317 ZBWUPNWRTMRORJ-UHFFFAOYSA-N 416.528 6.068 0 1 HKAF COc1ccccc1-n1nc([C@@H]2CCO[C@H](C(C)C)C2)cc1-c1ccc(Cl)cc1 145122953 VTJFSPOVFGEZFH-KOSHJBKYSA-N 410.945 6.120 0 1 HKAF CCc1ncccc1-c1cccnc1Oc1ccc(Nc2ncc(C)cc2F)cc1 145322187 BNCCDBRZLNNOQU-UHFFFAOYSA-N 400.457 6.084 0 1 HKAF C[C@@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(C(=O)c3ccccc3)C[C@@H]12 169358283 MSNQMTTUFQUCKG-GMBSWORKSA-N 412.455 5.625 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccc(C)cc2)cc1)C3 169359008 VRRMSKNGCUBGOY-FDOAVTNPSA-N 401.550 5.339 0 1 HKAF COc1cc(C(=O)OC/C=C(\C)CCC=C(C)C)nc2c(OCC=C(C)C)cccc12 219779152 JWJMZQBDAAUMMS-XSFVSMFZSA-N 423.553 6.438 0 1 HKAF C[S@@](=O)c1ccc(NC(=O)c2cccc(SCc3ccc(Cl)cc3)c2)cc1 220625299 PJIWKURXWHPAMD-HHHXNRCGSA-N 415.967 5.622 0 1 HKAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC/C=C/c1ccc(O)cc1 238741148 HGWQWDQGDCAJEH-MVGKLASVSA-N 412.614 7.762 0 1 HKAF CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CC(=O)NCCS(C)(=O)=O 238769142 CECRDLCMVJASRD-VSKRKVRLSA-N 417.700 5.613 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](C)C[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253685205 DHZJVHCWDITFSE-QCPBPTEESA-N 401.679 6.832 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257439255 HTSZYABTPJLOMH-UJRUTBCNSA-N 418.706 6.830 0 1 HKAF endogenous,in-man COc1ccccc1[C@H](CCN(C(C)=O)[C@@H](C)c1ccccc1)[C@H]1CCC(C)(C)OC1 299811824 OEXWBBSZVDWIDB-NKKJXINNSA-N 423.597 5.984 0 1 HKAF CCCCOc1cc2[nH]c(-c3ccc(C(C)(C)CC)cc3)nc2cc1Br 586882294 ZMLJNSFBTFXULV-UHFFFAOYSA-N 415.375 6.859 0 1 HKAF OCc1ccccc1-c1cccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 586895337 XETKGBPIWSDPSP-UHFFFAOYSA-N 406.485 5.968 0 1 HKAF CSc1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 586966062 CJZZMHMNWDSBKE-UHFFFAOYSA-N 407.568 5.094 0 1 HKAF C[C@@H]1c2nc3ccc(O)c4c3c(c2CCN1C(=O)OC(C)(C)C)-c1ccccc1C4=O 586987443 BAPYHCRAXLZLGT-CYBMUJFWSA-N 416.477 5.006 0 1 HKAF Cc1ccc2c(ccc3nc(Cc4csc(NC(=O)Nc5ccccc5)n4)[nH]c32)n1 587019447 NKBXIPQHYWYLGP-UHFFFAOYSA-N 414.494 5.111 0 1 HKAF Clc1cccc(/C=C\c2nc3cccc(I)c3[nH]2)c1Cl 587055728 WZWPXZRSHZPJBS-FPLPWBNLSA-N 415.061 5.645 0 1 HKAF Cc1cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2cc1Br 587075314 BETNEUSHHOVHLE-UHFFFAOYSA-N 414.690 5.722 0 1 HKAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 587121865 OCUSZGDOEJJENQ-UHFFFAOYSA-N 412.293 5.399 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)cc2F)c1 587143228 MSWIPEXKYOGLLN-UHFFFAOYSA-N 408.820 5.280 0 1 HKAF Cc1ccc(/C=C/c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1F 587146517 ONPVZVJGUAHZOK-VOTSOKGWSA-N 417.322 6.368 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc5ccccc5cc4[nH]3)c(F)c2)c1 587147332 MLZFQQHVFLITLK-UHFFFAOYSA-N 412.420 5.896 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(OCc3ccccc3)cc2[nH]1)C1CCCC1 587225838 NBONYKLGQORBMG-JOCHJYFZSA-N 421.541 5.898 0 1 HKAF C[C@]1(c2cccc(C3CCC3)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337260 VAPODGXJDCPZCD-JYFHCDHNSA-N 420.455 6.212 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2cc3ccccc3o2)(C2CC2)[C@H]1c1ccc(F)cc1 587351750 JKHOVAAIZJRHBQ-AHWVRZQESA-N 414.432 5.942 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2[nH]c4ccccc4c2C3)c1 587363992 VFVYKRAIJXGLNI-UHFFFAOYSA-N 402.453 6.709 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCSc3ccccc32)[C@@H]1c1ccc(F)cc1 587372121 HPKPEIXGUOZAIM-VWNXMTODSA-N 406.478 5.672 0 1 HKAF COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F 587386610 VLABWGOQPGZHNQ-QFIPXVFZSA-N 416.452 5.580 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)cc1F 587548095 NDRLGVLAAOURLR-PXNSSMCTSA-N 404.315 5.253 0 1 HKAF C[C@]1(c2cccc(C(F)(F)F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548308 NKSWCZKEIWLCGV-DYESRHJHSA-N 418.342 5.427 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N)c1 587582252 ZEBUOSANIRUZJM-SHQCIBLASA-N 423.468 5.188 0 1 HKAF Cc1cc(C(C)(C)C)cc(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604839 ZHBMZTFCRJFWNE-WNCULLNHSA-N 416.517 6.184 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2c(Cl)cccc2Cl)N1 587694682 PZQFDIJJBGLIQN-MLCYQJTMSA-N 417.149 5.887 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2cccc(C(F)(F)F)c2)N1 587712254 KFXOXOSUAZXBAB-ADLMAVQZSA-N 416.256 5.599 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(F)(F)F)ccc2F)N1 587713273 SICWHKZZRVOXOZ-HUTHGQBESA-N 420.219 5.544 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)ccc(F)c2Cl)N1 587720233 MZISPBHSILQQSJ-QPFGOUBPSA-N 421.112 5.832 0 1 HKAF CCn1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587753211 AIHPSZRWPKJNDA-ASSNKEHSSA-N 401.323 5.361 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C2\N(C)c3ccccc3C2(C)C)N1 587770807 REJWKFXEWXWIJM-NJYBTWLASA-N 415.350 5.475 0 1 HKAF Cc1ccc([C@]2(C3CCCCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587820695 QEEWMHXXHAOOOD-HJPURHCSSA-N 416.378 6.255 0 1 HKAF Cc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 587831088 VWEDMHBRFRBFOF-XUSGNXJCSA-N 400.291 5.780 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccccc1 587858619 KNIFWAQZTYEQCW-CYBMUJFWSA-N 405.281 5.363 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C)c2cccc(C)c2n1 587865632 DVVGFKIHNZGEGR-UHFFFAOYSA-N 411.427 6.122 0 1 HKAF COc1ccc2c(c1)[C@@](CC(C)(C)C(=O)O)(c1cc(C)ccc1C)N(C(C)C)CC2 962095904 XLCJGRXXMQMYQA-AREMUKBSSA-N 409.570 5.323 0 1 HKAF Cc1ccc(COc2ccc3ccccc3c2[C@H]2NCCc3ccc(F)c(C)c32)cc1 962378899 VIYKQGFPKQCJRE-NDEPHWFRSA-N 411.520 6.410 0 1 HKAF COc1ccc2c(c1OC)[C@@](c1ccccc1)(c1ccc(C)cc1C)N(C)[C@H](C)C2 962622327 BRBMCNSWVFRFOL-NFQMXDRXSA-N 401.550 5.489 0 1 HKAF Cc1ccc([C@]2(CCc3cccc(F)c3)NCCc3c2c(C(C)C)nn3C)c(C)c1 962917581 ZWLIFXBBOOGZMQ-SANMLTNESA-N 405.561 5.322 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccc(C(F)(F)F)cc1)c1cnccc1C 963242427 PWGNICSCBJYYOZ-KBMIEXCESA-N 424.510 6.357 0 1 HKAF CCC[C@H](C)N1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(C(C)C)cc2)CC1 1772613040 JGOTYFCURQUEFN-QFIPXVFZSA-N 421.629 6.497 0 1 HKAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(Oc3ccccc3)cc21 1857608024 BUSMICDHMGCSJA-UHFFFAOYSA-N 420.512 6.133 0 1 HKAF COC(=O)c1ccc(NC(=O)[C@@H]2CC=C(CCC=C(C)C)C[C@H]2c2ccccc2)cc1 1911578063 NIGHIRRAYJJFBP-RPBOFIJWSA-N 417.549 6.278 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@]5(C)C=CC(=O)O5)[C@@]4(C)CC[C@@H]32)C1 2356789506 DJQATLMJYHINQJ-GIEGYQJMSA-N 412.570 5.369 0 1 HKAF C[C@@]1(c2nnc(-c3ccc(Cl)cc3)o2)CC(c2c(Cl)cccc2Cl)=NO1 13660348 SBKROXDEKFYLAJ-SFHVURJKSA-N 408.672 5.737 0 3 HKAF Cc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2Cc2ccccc2)cc1 95571117 GOXDYUWDQQJARY-UHFFFAOYSA-N 400.831 6.573 0 3 HKAF O=C(COc1ccccc1)Nc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12 751769 COCZJZQRFYWGBU-UHFFFAOYSA-N 421.456 5.574 0 1 HKAF O=C(c1ccc(Cl)cc1)c1c(-c2ccccc2)nn(-c2ccc(Cl)cc2)c1O 11742272 CLFDPPWRTOQFQM-UHFFFAOYSA-N 409.272 5.783 0 1 HKAF COc1cc(OC)c2c(c1)[C@H](CCCCCC[C@@H]1CC[C@@]3(CC[C@@H](C)O3)O1)OC2=O 14851125 MDVWGBKYBVEXHU-XBFDIVRLSA-N 418.530 5.330 0 1 HKAF biogenic O=c1c(-c2ccccc2)c(-c2ccccc2)oc2cc(OCCN3CCCC3)ccc12 26957731 FNWMAKPJOVDUHL-UHFFFAOYSA-N 411.501 5.602 0 1 HKAF COc1ccc(-c2cc(-c3c[nH]c4ccccc34)nc(N3CCCCC3)n2)cc1OC 28471829 QNPYMFSYIZTWKW-UHFFFAOYSA-N 414.509 5.299 0 1 HKAF C[C@]1(C(=O)N2CCC[C@@H](c3ccccc3)C2)CCC[C@]2(C)c3ccccc3CC[C@@H]12 28525356 KCTVTEAWWHOHNZ-LRSVOTLPSA-N 401.594 6.103 0 1 HKAF CC[C@H](C(=O)O)[C@@H]1CCc2cc(OCCn3nc(-c4ccccc4)cc3C)ccc21 28563288 ZCZWMWGKTOSREI-GMAHTHKFSA-N 404.510 5.078 0 1 HKAF COc1c(OC)c(OC(=O)C(C)(C)C)c2cc(Cl)ccc2c1OC(=O)C(C)(C)C 29315530 QFASJZPPDXWJOF-UHFFFAOYSA-N 422.905 5.413 0 1 HKAF CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C 33988463 QASFUMOKHFSJGL-YQVODBNLSA-N 411.630 5.002 0 1 HKAF Cc1cc(N2CC[C@@H](CN3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccc2cc[nH]c2c1 43204817 MOLASSDTWOISGN-PMACEKPBSA-N 416.569 5.039 0 1 HKAF COc1cccc(C(=O)N2CCCC[C@@H]2CCOc2ccc(Cl)c(Cl)c2)c1 72120000 CZWWVUYCUQLYEF-MRXNPFEDSA-N 408.325 5.466 0 1 HKAF O=c1[nH]c(=S)[nH]c(-c2cc3ccccc3s2)c1Cc1c(O)ccc2ccccc12 72170969 OUVIGBGBLVOODZ-UHFFFAOYSA-N 416.527 5.764 0 1 HKAF CN(C)c1cccc(Nc2cc3c(cn2)cc(-c2cccnc2)n3Cc2ccccc2)c1 82083797 CIHNFMLFHWUULR-UHFFFAOYSA-N 419.532 5.956 0 1 HKAF CCCCCc1nc(-c2cnc(NCC3CCCCC3)nc2-c2ccccc2)oc1C 82162604 QYTFLRQAOBHMOK-UHFFFAOYSA-N 418.585 6.832 0 1 HKAF CC[C@H](C)Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2C)n1 82177593 QRANXHFLBNXWHL-KRWDZBQOSA-N 400.551 6.453 0 1 HKAF CCCCCn1c(-c2ccsc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82184989 PFKHLLSEIMNFDD-UHFFFAOYSA-N 411.962 6.011 0 1 HKAF Cc1cc([C@H]2C[C@H](CN3CCCCC3)C(=O)N2C)sc1-c1ccccc1Cl 96248462 KBMKEQNMFXTFMO-VQIMIIECSA-N 402.991 5.382 0 1 HKAF COc1c(Cl)c(C)c(Cl)c(O)c1C(=O)c1cc(O)cc2c1CCC(C)(C)O2 96917839 CNLUBCVCVWNNDQ-UHFFFAOYSA-N 411.281 5.056 0 1 HKAF CC(C)N(C)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 100676018 XPETYAGPOUELRS-HXUWFJFHSA-N 423.771 6.236 0 1 HKAF O=C(NC(=O)c1c(Cl)cccc1Cl)OCc1ccc(-c2ccccc2Cl)o1 103209050 PEPJISULGAKDDE-UHFFFAOYSA-N 424.667 5.973 0 1 HKAF CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2sccc2C)C2=C(O)CC(C)(C)CC2=N1 104699083 ZDDMNFZNAHUICR-OAQYLSRUSA-N 421.566 5.843 0 1 HKAF COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(O)=C2[C@H]1c1ccc(Cl)cc1 104706845 WCYHFJBAUJSCHG-QFIPXVFZSA-N 422.912 5.796 0 1 HKAF C[C@H](CCC=C1CC1)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 118933929 JPBYBCDJWOLHTR-FFHWCWOTSA-N 424.713 7.923 0 1 HKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C[C@@]2(O)c1ccnn1C 169293828 HEESPKVKRSKCJE-OBWXTZQISA-N 400.563 5.243 0 1 HKAF O=C1CSC(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2cccc3ccccc23)=N1 169336253 ZZUUMEHDGXOMLG-HXUWFJFHSA-N 405.910 5.274 0 1 HKAF Oc1csc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(Br)cc2)n1 169726280 KXGNCZQOLOIOQE-MRXNPFEDSA-N 418.291 5.106 0 1 HKAF C[C@@H](/C=C/C(=O)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 255196707 ARCYVWZDZTZORR-XUYILKBISA-N 412.614 6.438 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3C(=CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 255214164 GVYKPOLJSCOPHA-BYCMHOKTSA-N 414.674 6.670 0 1 HKAF COC(=O)[C@@H](Sc1nc(C)nc(Nc2ccc(C(C)C)cc2)n1)c1ccccc1 299822953 RIRBNUVQFWLRRI-IBGZPJMESA-N 408.527 5.053 0 1 HKAF Cc1cc(Br)ccc1OCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586981196 MCJXDVOCFSIMHU-UHFFFAOYSA-N 403.173 5.371 0 1 HKAF Brc1cc(/C=C\c2nc3ccc4c(c3[nH]2)CCCC4)cc2c1OCCO2 587001734 PVOQAGNFARBUEM-YVMONPNESA-N 411.299 5.146 0 1 HKAF Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 587051878 UWONFWDKJWRWQZ-IUCAKERBSA-N 416.533 6.557 0 1 HKAF Oc1ccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(Cl)c1 587055069 QYCHLPWOUVBVII-UHFFFAOYSA-N 407.573 5.250 0 1 HKAF COc1cncc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 587064038 KDLVVXILUWSSTK-UHFFFAOYSA-N 418.884 5.321 0 1 HKAF COC(=O)c1cccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587073282 JHDRBDKARVPQDD-KNTRCKAVSA-N 416.908 6.176 0 1 HKAF Clc1cnn2c(-c3nc4c(Br)cccc4[nH]3)cc(-c3ccccc3)nc12 587080412 CNBAHFSZRYLZOX-UHFFFAOYSA-N 424.689 5.356 0 1 HKAF C[C@@H]1c2c(Br)cccc2-c2nc3cccc4c3c(c21)-c1ccccc1C4=O 587101612 IQAIPCRTHAARLL-GFCCVEGCSA-N 412.286 6.341 0 1 HKAF Cc1cccc([C@H]2CC(=O)Cc3nc4c(C)ccc5c4c(c32)-c2ccccc2C5=O)c1 587101830 WLNFSMFQZKCJOX-JOCHJYFZSA-N 403.481 5.710 0 1 HKAF Fc1cc(Cc2nc3c(Br)cnc(Cl)c3[nH]2)ccc1-c1ccccc1 587145694 OJTUPVMSLDDYAO-UHFFFAOYSA-N 416.681 5.771 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc4ncccc4c3[nH]2)c(Cl)c1 587159931 YUICMQURXKPMOZ-QFIPXVFZSA-N 403.844 6.072 0 1 HKAF COC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327938 ILUIZBVJSPLUPL-GMAHTHKFSA-N 412.844 5.086 0 1 HKAF CCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348804 AUIQSFBCJHPTJD-RSXGOPAZSA-N 404.481 6.366 0 1 HKAF C[C@]1(c2ccc(-c3ccccc3)o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352021 JUSLNZCCVWTQAC-AOYPEHQESA-N 414.432 6.066 0 1 HKAF COc1cccc(-c2cc(-c3cccc4cn(C)nc34)nc3c2oc2ccccc23)c1 587363453 NSHUPFBBYWPPTN-UHFFFAOYSA-N 405.457 6.210 0 1 HKAF CCSc1ccccc1-c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587365830 NUPVXAYGZSLYAR-UHFFFAOYSA-N 411.526 7.436 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C(F)(F)F)cn4)cc1)[C@@H](C2)C3=O 587421361 KFBHBVXNPQULMY-JTSKRJEESA-N 411.379 5.265 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3cccc(C)c3)cc1)CC2=O 587483243 WACBLCWNQYQKBT-MHZLTWQESA-N 416.517 6.113 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc3ccccc3c1)CC2=O 587491413 VJMPOVUIAQIYEY-RUZDIDTESA-N 404.462 5.223 0 1 HKAF O=C1C[C@H](c2ccc(Br)c3cccnc23)Oc2c1ccc1c2CCCC1 587495853 GMPKCODEOYDXFF-HXUWFJFHSA-N 408.295 5.583 0 1 HKAF O=C1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Cl)cc(Cl)c2O1 587503133 XARMIMBMTJJMKN-OAQYLSRUSA-N 403.261 5.042 0 1 HKAF CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC=C(C)C 587527628 YLBCKOREFPDXKB-DEOSSOPVSA-N 406.522 6.016 0 1 HKAF Cc1cc(C)c([C@]2(CCCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587529527 OVFOFTCMSHGZKU-SANMLTNESA-N 406.522 5.606 0 1 HKAF CC(C)[C@]1(c2ccc(OCCF)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558981 YWZCRYKVLBBAMR-RCZVLFRGSA-N 422.452 5.254 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccco2)n2ccccc12 587590070 XDGJOFXFAACMMD-HYBUGGRVSA-N 424.412 5.003 0 1 HKAF CCCCC[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611743 TWYURIMMDBBBMB-WIOPSUGQSA-N 404.462 5.535 0 1 HKAF CCOC(=O)c1c([C@H]2CCCN2C(=O)OC(C)(C)C)[nH]c2ccc([C@@H](C)CC)cc12 587643884 KFHWIEVWKDXOLS-HNAYVOBHSA-N 414.546 5.930 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(Cl)cc2Cl)N1 587698340 VCXXJICAYRHMDX-MGNBDDOMSA-N 417.149 5.887 0 1 HKAF Cc1[nH]c2ccc(Cl)cc2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587700182 SAQXHUAKEAIKEQ-UGZDLDLSSA-N 407.714 5.655 0 1 HKAF CC(C)[C@]1(Cc2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587702293 WGGIELMHNPIGPW-XCLFUZPHSA-N 410.758 5.870 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCC(F)(F)F)c2)N1 587712656 QATIDZDLYNGMES-BMLIUANNSA-N 418.228 5.153 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)cnc2Cl)N1 587712915 MCOYXNNMBMYJPS-NXSYQRQQSA-N 423.635 5.279 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(F)(F)F)ccc2F)N1 587715944 YUTZVNXWJLLYID-VVVCHXIZSA-N 420.219 5.544 0 1 HKAF CC(C)n1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 587753945 CDIMUDWWILLXGF-CWTRNNRKSA-N 402.311 5.142 0 1 HKAF CC(C)[C@]1(c2ccc(C(C)(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587810579 DBYQJUZUEYNWGX-NPMXOYFQSA-N 418.394 6.320 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccc(Cl)cc2o1 587856967 ZMIJYIIMWBNPBZ-UHFFFAOYSA-N 408.672 6.039 0 1 HKAF CN(c1ccc(-c2csc(-c3cc(Cl)cc(Cl)c3)n2)cc1)S(C)(=O)=O 587923913 REGZEDGZBYWWDB-UHFFFAOYSA-N 413.351 5.180 0 1 HKAF Cc1ccc(CC[C@]2(c3cccc(F)c3)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963113515 RLVSRNIMKQLNSR-IGKIAQTJSA-N 403.516 6.170 0 1 HKAF Fc1cccc2c1[C@H](c1cccnc1Sc1ccc(Cl)cc1)N1CCC[C@H]1C2 963119902 ZYUFWXPYEPLWIJ-JTSKRJEESA-N 410.945 6.135 0 1 HKAF CCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1C 1772573660 DLVRSHUWXIZVKC-UHFFFAOYSA-N 415.511 5.016 0 1 HKAF COc1cccc(C(=O)Nc2cc(Cl)c(Oc3ccc(O)cc3)c(Cl)c2)c1 1857633177 ACJMXGFVEYIAST-UHFFFAOYSA-N 404.249 5.752 0 1 HKAF O=C(c1ccc(-c2cc(Cl)c(O)c(Cl)c2)s1)c1cc(F)c(F)c(O)c1F 1857769429 HCUFSJFBLVAVGG-UHFFFAOYSA-N 419.207 5.781 0 1 HKAF CCOC(=O)c1c(-c2cccc(Br)c2)[nH]c2c1cc(O)c1ccccc12 1857770611 DCWUVJZMPMGMGJ-UHFFFAOYSA-N 410.267 5.633 0 1 HKAF CC(=CCc1cc(O)c(C)c(C)c1O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 2356389373 SUFZKUBNOVDJRR-FCHUYYIVSA-N 416.690 8.643 0 1 HKAF CC(C)CCC[C@@H](CO)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356530597 GTZWTRBGKCIOLZ-GVVSFCLJSA-N 418.662 5.332 0 1 HKAF CC(C)=CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CCC(C)=CCO)[C@@](C)(O)CC[C@@H]21 2356638564 JRRMXXZTUUZDPE-GPXHLONLSA-N 406.607 5.188 0 1 HKAF Cc1ccc(NC(=O)NCC2CCN(Cc3cccc(Cl)c3)CC2)cc1Cl 4908832 ZKSQEVKHZNUREQ-UHFFFAOYSA-N 406.357 5.336 0 3 HKAF CC(C)c1ccc(NC(=O)c2cc(-c3cc(F)ccc3OC[C@@H]3CCCO3)[nH]n2)cc1 61906681 JSPATQPFGKCLKI-IBGZPJMESA-N 423.488 5.149 0 3 HKAF COCC(=O)Oc1ccccc1-c1nc2cc(C)ccn2c1NC(C)(C)CC(C)(C)C 960152 QOFQFYHAAGXLCG-UHFFFAOYSA-N 423.557 5.488 0 1 HKAF CC(C)N1CCc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O 6717073 UBGVLKZTVPOVTN-UHFFFAOYSA-N 400.309 5.253 0 1 HKAF COc1cc2c(cc1[C@H]1CCCc3oc(/C=C/C(=O)O)cc31)C(C)(C)CCC2(C)C 13560358 RJQKKTLAFODUMP-FVNWOWOISA-N 408.538 6.203 0 1 HKAF OC[C@@H](Nc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12)c1ccccc1 13646297 CCGBAJCQZPJWCS-OAQYLSRUSA-N 407.473 5.702 0 1 HKAF in-vitro CCc1cc(OCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2c(C)cccc2n1 13728657 ZHOACHHSOFREMM-UHFFFAOYSA-N 421.504 5.532 0 1 HKAF COc1ccc(C(=O)Nc2c(Cl)c(F)nc(F)c2Cl)cc1OC1CCCC1 13737002 UTTRDACLMAMUJY-UHFFFAOYSA-N 417.239 5.249 0 1 HKAF C=C1C(=O)O[C@@H](CCCCCCCCCCCCCCCOC(C)=O)[C@H]1C(=O)O 14611734 LQMFUZJZXHFRKV-SFTDATJTSA-N 410.551 5.193 0 1 HKAF biogenic Oc1ccc2c(c1)/C=C/c1ccc(O)c(c1)Oc1ccc(cc1)CCc1cccc(c1)O2 14683075 MOTBWTKNDKAKBC-UXBLZVDNSA-N 422.480 6.951 0 1 HKAF CC1=CC[C@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@H]1C 14720211 CJRZLPSJKBMUPM-PWXYNOGFSA-N 424.713 8.233 0 1 HKAF endogenous,in-man CC(C)c1nc(C(C)(C)C)cc(-c2ccc(F)cc2)c1/C=C/[C@H]1C[C@@H](O)CC(=O)O1 27655217 VPMIAOSOTOODMY-ONNQBUSKSA-N 411.517 5.388 0 1 HKAF in-vitro Fc1ccc(-c2ccc(CNCCc3ccc(CN4CCCCC4)cc3)cc2)cc1 28649162 QPEKHNYRYDBGGP-UHFFFAOYSA-N 402.557 5.811 0 1 HKAF Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc5ccccc45)cc3)c12 28703854 TVXVPLRNLJLZKI-UHFFFAOYSA-N 410.502 6.343 0 1 HKAF CC(C)c1ccc(S(=O)(=O)n2ccc([C@H](O)c3ccc(Cl)cc3Cl)c2)cc1 29569318 CRZNRDNUROLRLM-FQEVSTJZSA-N 424.349 5.237 0 1 HKAF COc1ccc(Cc2cc([C@H]3[C@@H](c4ccc(C)cc4)C[C@H]4CC[C@@H]3N4C)on2)cc1 45497614 YNBPFDTUMKTMGE-BGGLGKGRSA-N 402.538 5.316 0 1 HKAF Cc1ccc(-c2nc(S(=O)(=O)Cc3ccccc3)c3cc(Cl)ccc3n2)cc1 64475283 DXDIYANURWGCFA-UHFFFAOYSA-N 408.910 5.233 0 1 HKAF COc1ccccc1C(=O)N[C@H](C(=O)Nc1c(C)cccc1C)c1ccc(Cl)cc1 71341712 NMKAIDSFYFAUCA-QFIPXVFZSA-N 422.912 5.075 0 1 HKAF O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)c1cc(Cl)cc(Cl)c1O 72112122 IUFBOKBIBSURKU-UHFFFAOYSA-N 424.283 6.897 0 1 HKAF C[C@@H](CO)CCC[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 78370464 NUHIVWGZNPMOCV-MTFAWMJCSA-N 418.662 5.332 0 1 HKAF COc1cc2nc(NCCc3ccc(F)cc3)nc(NC3CCCCC3)c2cc1OC 82213747 DAQPCMIKGXVTCV-UHFFFAOYSA-N 424.520 5.185 0 1 HKAF O=C(Nc1ccc(-c2nccc3c2[nH]c2ccccc23)cc1)c1cccc2ccccc12 84669983 YTRHAUGSWCJAMJ-UHFFFAOYSA-N 413.480 6.789 0 1 HKAF CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2C(=O)c2ccccc2Cl)cc1 84709382 QOHYOLPVLRRSEG-SFHVURJKSA-N 416.952 6.729 0 1 HKAF O=C(c1csc2ccccc12)N(CCc1ccc(Cl)cc1)[C@H]1CC[C@@H](O)CC1 101226508 UGCSUMOERDQTPT-WGSAOQKQSA-N 413.970 5.543 0 1 HKAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2C)C2=C(O)CC(C)(C)CC2=N1 103996770 MVNAMFJTUFTLRL-HTAPYJJXSA-N 409.526 5.162 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118937344 ZMYBKDLUDWAJSA-XKASSTLFSA-N 400.691 8.067 0 1 HKAF endogenous,in-man CC(C)=CCC/C(C)=C\Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2 141911156 XYIQIBWIEGCVQY-RLKXXZLBSA-N 408.494 5.745 0 1 HKAF Cc1cc(CNc2c(F)ccc(OCC(=O)O)c2F)cc(-c2cccc(F)c2)c1 148807084 KMAAOGSFQXFAOW-UHFFFAOYSA-N 401.384 5.155 0 1 HKAF COc1cc2ccccc2nc1COc1ccc(-c2c(-c3ccncc3)cnn2C)cc1 169324875 LNSQBMKWXGWPJW-UHFFFAOYSA-N 422.488 5.285 0 1 HKAF CCCCc1nc2ccccc2n1C1CCN(CCCC(=O)c2ccc(F)cc2)CC1 169325089 GTPAKVDIDWEPQP-UHFFFAOYSA-N 421.560 5.818 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 169621973 FQYWAQLILQWTQT-QAYSHOGESA-N 410.642 8.666 0 1 HKAF Cc1cc2c(cc1-c1ccc(NCc3c(F)cc(F)cc3F)nc1)OC(F)(F)O2 207720866 ZAUMSRIEMSHLCO-UHFFFAOYSA-N 408.326 5.408 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@H]3C(=CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]43C)[C@H]2C1 238734195 GLENULFUVDQXBU-HYSDXYSESA-N 412.702 7.779 0 1 HKAF CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC 299878873 JWXIQYLENFIWIA-CMRTURKBSA-N 424.585 5.377 0 1 HKAF COc1cc(C(=O)c2c(-c3ccccc3)[nH]c3c(Cl)cccc23)cc(OC)c1OC 473105960 VCOLKGXFJPIHNS-UHFFFAOYSA-N 421.880 5.745 0 1 HKAF CCCCOc1cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1Br 586885621 NBDKIBGPZWCLIM-OPAMFIHVSA-N 411.343 5.876 0 1 HKAF Cc1ccc(SCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(C)c1 586963120 DRQSBADYNDXMRE-UHFFFAOYSA-N 415.278 6.253 0 1 HKAF CCCCOc1cc2nc([C@@H](C)SCc3ccccc3)[nH]c2cc1Br 586964077 UIPDIRZCIJMWHI-CQSZACIVSA-N 419.388 6.499 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cccc(F)c3[nH]2)c1C=O 586968770 WAVSFIZYGYDQNF-UHFFFAOYSA-N 414.893 5.013 0 1 HKAF COc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1C 587027836 SSHVJHCPBXVWTH-VDGAXYAQSA-N 409.555 5.016 0 1 HKAF Cc1nn(-c2cccc(-c3nc4ccc(Br)cc4[nH]3)c2)c(C)c1Cl 587064590 DVOKLQOPWHBFPV-UHFFFAOYSA-N 401.695 5.448 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(O)nc(S)nc2[nH]1 587069915 FYGXWUUNHIPLIP-TXCQAMFQSA-N 407.326 5.020 0 1 HKAF Cc1onc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)c1COc1ccc(Cl)cc1 587075748 JXUUVMWZQQKCOD-UHFFFAOYSA-N 423.778 5.657 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1c(F)cc(Br)cc1C3 587103497 HZMOGBGHAGVIGM-UHFFFAOYSA-N 416.249 5.919 0 1 HKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(F)cnc(Br)c2[nH]1 587112505 HTFDZMRUKNOZPL-QMMMGPOBSA-N 402.189 5.225 0 1 HKAF FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4ncc(Cl)cc4[nH]3)n2n1 587119311 BDPIGODXOWVFQM-UHFFFAOYSA-N 414.778 5.007 0 1 HKAF Cc1nn(C(C)C)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343399 SJIAURFXOSVGRU-UPVQGACJSA-N 408.473 5.200 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Oc3cccc(C)c3C)nc3ccccn13)O2 587394708 ZGNUQTDEMJDRHC-NRFANRHFSA-N 413.477 5.341 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccccc3Cl)s1)CC2=O 587494954 OELSUFBQBFOGQR-HSZRJFAPSA-N 412.938 6.607 0 1 HKAF O=C(O)c1ccc(F)cc1-c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587503994 LNDGGLFVLXCLFB-DEOSSOPVSA-N 416.448 5.776 0 1 HKAF C[C@@]1(c2ccc(OC3CCCCC3)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587506856 QFIUBZCGKFCPEN-SANMLTNESA-N 408.513 6.297 0 1 HKAF O=C1C[C@](c2ccccc2)([C@@H]2CCCC[C@H]2C(=O)O)Oc2c1ccc1c2CCCC1 587529867 QZDPNBPNZTVZSI-MZEQIWSPSA-N 404.506 5.317 0 1 HKAF C[C@]1(c2cccc(OC(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552509 AGVGLTKNIRSAIJ-WIYYLYMNSA-N 416.351 5.168 0 1 HKAF CC(C)COc1cccc(OCc2nc3cc(Br)cc(Cl)c3[nH]2)c1 587565429 AFCNXOIHJJYYJZ-UHFFFAOYSA-N 409.711 5.593 0 1 HKAF COc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 587601043 QBPUHTGMIMCOGQ-RPLLCQBOSA-N 424.452 5.771 0 1 HKAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccc(Br)cc1 587620944 JWALLXQUUUNWKK-UHFFFAOYSA-N 405.093 5.545 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(Cl)c(Cl)c3)c2c1 587639714 BZPHPKKGMNECRG-JTQLQIEISA-N 414.254 7.238 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Br 587676025 DSMDZTYAGRPKAI-DYZYQPBXSA-N 413.128 5.283 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2C(F)(F)F)N1 587710659 GWYNDKFXFILSDG-PWJLMRLQSA-N 406.192 5.370 0 1 HKAF CC(C)[C@]1(c2ccc(OCCF)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587722464 YWKJMQVEPJUGMV-SPLOXXLWSA-N 424.329 5.370 0 1 HKAF CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCC)c1 587802425 RSFFTJDWKOWXQK-FKIZINRSSA-N 408.311 5.009 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(C2CCCCC2)N1 587817651 DGILRFITYNFVGD-MWTRTKDXSA-N 416.378 6.141 0 1 HKAF Cc1ccccc1-c1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587817994 GFNJSWWMEQELRB-CMJOXMDJSA-N 410.330 6.187 0 1 HKAF CCc1ccc(CC(C)(C)[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587818244 HALWPWSUOOMYMS-LHSJRXKWSA-N 404.367 5.995 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1cccc(Br)c1N 587937716 WYDQTFOHHOVRLV-JKIFEVAISA-N 407.352 5.367 0 1 HKAF Cc1ccc(-c2cc3c(n2-c2ccnc(Br)c2)CC(C)(C)CC3=O)cc1 587941910 YSTZUIHEDUATDI-UHFFFAOYSA-N 409.327 5.765 0 1 HKAF Clc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccc(-c3ccccc3)nn2)cc1 653710296 QCBKZLGVOWDCFS-DEOSSOPVSA-N 410.908 6.153 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(C)c1ccccc1Cl 961772244 CEGISHACBMJVDE-DEOSSOPVSA-N 412.961 5.755 0 1 HKAF COc1ccc2c(c1OC)[C@]1(C[C@@H](C)c3c(Br)cccc31)N(C)[C@H](C)C2 962640480 WJIPOQVSWCIAMB-XDEPDNQISA-N 416.359 5.094 0 1 HKAF C[C@]1(c2ccc(O)cc2Cl)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962647822 WOXSFMJIJFUZKT-NBGIEHNGSA-N 404.941 5.056 0 1 HKAF CC1(C)Cc2nc(Cl)cc(Cl)c2[C@@]2(C1)c1ccc(F)cc1C[C@@H]1CCCN12 963106186 QYARSFNCUBSQJQ-OYHNWAKOSA-N 405.344 5.764 0 1 HKAF O=C(O)[C@@H]1CCC[C@H]1C[C@]1(c2ccccc2F)c2ccc(F)cc2C[C@H]2CCCN21 963110329 QTXCGEJTTWIPPL-UOMSLYCOSA-N 411.492 5.120 0 1 HKAF CCC[C@]1(c2cccnc2)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963905704 ZZJFYCZTYMGGHB-NLFFAJNJSA-N 424.541 5.070 0 1 HKAF COc1cc2c(cc1OC)[C@H]1Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N1CC2 1772608634 OPYGFRDPWJRCFO-KCWPFWIISA-N 410.517 5.430 0 1 HKAF CC(C)[C@@H](C(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2N)cc1)c1ccccc1 1857748833 NHIVVTDJMQAKAA-JOCHJYFZSA-N 405.473 5.039 0 1 HKAF O=C(Nc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1)c1ccc(F)cc1F 1911579544 MYDHUKOVMJKETO-UHFFFAOYSA-N 424.300 5.026 0 1 HKAF CCC=C(CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 2356312767 JVGGULCNHGBDGL-NAYJUDLXSA-N 424.713 8.255 0 1 HKAF C[C@@H]1CC[C@]2(C)[C@H](C)CC[C@H](O)[C@]23CC[C@@H]2[C@H](c4c[nH]c5cccc(c45)C2(C)C)[C@H]13 2356382956 TYGWKVZJNJYVND-UFZWUWJISA-N 405.626 6.782 0 1 HKAF C[C@@H]1CC(C)(C)CC2=C3C=C[C@H]4[C@](C)(CC[C@H]5C(C)(C)CCC[C@]54C)[C@]3(C)CC[C@H]21 2356492102 WLTCUPJPYHDSHH-KGXNSNCOSA-N 408.714 8.974 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356648325 WOVIRZFRRNEFES-CLZHJJKESA-N 414.718 8.313 0 1 HKAF CC(C)=CCCC(C)=C[C@@H](O)CC(C)=CCC[C@]1(C)C=Cc2cc(O)cc(C)c2O1 2356679515 BDPWTJZRRJMGSJ-SHQCIBLASA-N 410.598 7.035 0 1 HKAF C[C@H](CC=CC(C)(C)O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356707973 CRBBVTAXSNJDMS-XUBINDJISA-N 400.647 6.280 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@]3(O)CC[C@]21C 2356732441 IABNMGOOKVIIKC-FDGMWWKVSA-N 418.662 5.474 0 1 HKAF O=C(Nc1ccccc1)[C@@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 61907985 NXAMVUPIJGBURP-DEOSSOPVSA-N 408.457 5.483 0 3 HKAF COc1ccccc1CNc1nc(NCc2ccc(C)cc2C)c2sccc2n1 61908104 CKDNIENTHOSVBE-UHFFFAOYSA-N 404.539 5.541 0 3 HKAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1cnn(-c3ccccc3)c1N2 6482572 FJUADJYJHHYVLD-UKNJCJGYSA-N 403.570 5.123 0 1 HKAF CC1=CCC[C@H]2[C@@](C)(CC/C(C)=C/C[n+]3cn(C)c4c(N)ncnc43)[C@@H](C)CC[C@@]12C 13298354 NALGSOQQUZLOIK-AJTQZAASSA-N 422.641 5.363 0 1 HKAF COc1cccc(CN(C[C@@H](O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 13490898 AEQCWMUYNNFLBM-JOCHJYFZSA-N 417.427 5.417 0 1 HKAF C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@]21CCC(=O)O1 13603686 JAEBBTJXLHSEPB-NHDOVPPCSA-N 416.561 6.198 0 1 HKAF C[C@@H]1CC=C[C@H]2[C@@H](c3ccc(-c4ccoc4)cc3F)N(Cc3ccccc3)C(=O)[C@H]12 13830374 MSAYVNPLYDDUJO-WOVIWESZSA-N 401.481 5.998 0 1 HKAF Cc1n[nH]c2ccc(-c3cncc(SC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc12 14957896 VTKDDGLPRHAYLO-IBGZPJMESA-N 413.550 5.077 0 1 HKAF O=c1ccc2c(OCCCCOc3ccc4ccccc4c3)c3ccoc3cc2o1 35816769 YKIBVKRKPFXXFH-UHFFFAOYSA-N 400.430 5.930 0 1 HKAF c1ccc(C2=NN(c3ccccc3)C3(S2)c2ccccc2Sc2ccccc23)cc1 40390896 MLIYHUVECMELOI-UHFFFAOYSA-N 422.578 6.968 0 1 HKAF O=C(N1CCCCC1)n1nc(-c2ccc(Cl)cc2)nc1SC1CCCCC1 40977649 ZOGYHDPVTRRFRA-UHFFFAOYSA-N 404.967 5.477 0 1 HKAF O=C(O)Cc1sc(N(c2ccccc2)c2ccccc2)nc1-c1ccc(F)cc1 49033191 PONILUFZRIPFJP-UHFFFAOYSA-N 404.466 6.046 0 1 HKAF O=C(O)c1ccccc1-c1ccc(CCc2ncc(Cc3ccc(F)cc3)[nH]2)cc1 49048245 HJYHQZKVCJKWKZ-UHFFFAOYSA-N 400.453 5.290 0 1 HKAF CCCN(C(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1)c1cccc2[nH]ccc12 53230035 CMYAEOUIUARFBD-IBGZPJMESA-N 410.517 5.946 0 1 HKAF O=C(O)C[C@H]1COc2cc(OCc3cccc(-c4ccc5sccc5c4)c3)ccc21 59570116 ZOJBLBQNRWETFF-FQEVSTJZSA-N 416.498 6.098 0 1 HKAF O=C(Nc1ccc(NC(=O)c2ccccc2Cl)c(C(F)(F)F)c1)c1ccccn1 66076279 VOEOWZAMUAVMLK-UHFFFAOYSA-N 419.790 5.258 0 1 HKAF CCOC(=O)c1c(N)nc2c(c1-c1cccs1)CCc1c-2[nH]c2ccc(C)cc12 73140065 UGRWPMKJRDIUNG-UHFFFAOYSA-N 403.507 5.124 0 1 HKAF C[C@@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@@H]2CCN(C[C@@H]3CCCCO3)C[C@@H]21 73163519 RWRVBLQXKOJFGU-RIVXBTQJSA-N 406.492 5.354 0 1 HKAF CCCCN(CC)c1nc(NCc2ccccc2C)nc(Oc2ccc(OC)cc2)n1 82066234 OIBLXRDLOXFYKZ-UHFFFAOYSA-N 421.545 5.219 0 1 HKAF COCCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccccc2C)n1 82177146 RYKNDMXZKVENCO-UHFFFAOYSA-N 414.509 5.531 0 1 HKAF COc1ccc(C(=O)CC[C@H]2COc3cccc(OCC4CCCCC4)c3C2=O)cc1 96258426 GJXSGFBWHNULLU-FQEVSTJZSA-N 422.521 5.509 0 1 HKAF COc1ccc([C@@H]2OC3=C(C=C2C)C(=O)O[C@@H](c2ccc(C(F)(F)F)cc2)C3)cc1 96934095 LAOLJFHZFJPPHW-TZIWHRDSSA-N 416.395 5.674 0 1 HKAF CCCC[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3[C@]23CCN(C)[C@H](C4)[C@H]13 100902625 YLFVOHQBMMEFKC-MZJDTURHSA-N 414.549 5.409 0 1 HKAF O=C1C[C@@H](C2c3ccccc3-c3ccccc32)C(=O)N1c1cc(Cl)cc(Cl)c1 103278081 PPXYLUIYGNMAFS-FQEVSTJZSA-N 408.284 5.685 0 1 HKAF Cc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccc5c(c4)OCO5)C3=C(O)C2)cc1 104033536 BCYOGWFEJZSCQQ-WINIVTDRSA-N 424.500 6.353 0 1 HKAF CC(C)=CCc1c(O)c(C=O)cc2c1O[C@H]1c3ccc(O)c(CC=C(C)C)c3OC[C@@H]21 143445718 VHJMOUDDGNRSFZ-LVXARBLLSA-N 420.505 5.537 0 1 HKAF Cc1ccsc1C(=CCCN(C)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1sccc1C 299844861 FEGGKQVAYBVKDT-RAUXBKROSA-N 413.608 5.455 0 1 HKAF Brc1ccc(-c2nn(-c3ccccc3)cc2CNc2ccccc2)cc1 299856652 DATZZALLNNFVPJ-UHFFFAOYSA-N 404.311 5.914 0 1 HKAF CCCCOc1cc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c2cc1Br 586906766 QKMHGHMCVJHSKA-GZTJUZNOSA-N 413.271 5.173 0 1 HKAF CC(C)CCOc1ccc(Br)cc1-c1nc2cc(Cl)cc(F)c2[nH]1 586982413 WDEHFRKQJDSVIH-UHFFFAOYSA-N 411.702 6.210 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(F)nc(N5CCCC5)c4)nc13)-c1ccccc1C2=O 586995355 GDCZYQMGOXAZAN-UHFFFAOYSA-N 409.464 5.556 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(F)c(F)c(Cl)cc4[nH]3)c21 587030290 BJJDVKFFYWAHMI-JTQLQIEISA-N 403.885 6.454 0 1 HKAF COc1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Cl 587070273 UESFZOUUBGJHRH-AQTBWJFISA-N 423.343 7.052 0 1 HKAF O=C(O)c1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587072178 XBRWBLFQRWIXOC-IZZDOVSWSA-N 404.853 5.664 0 1 HKAF Clc1cccc2c(-c3nc4cc5ccccc5cc4[nH]3)cc(-c3ccccc3)nc12 587082414 NIBBZJJAKZMIIA-UHFFFAOYSA-N 405.888 7.252 0 1 HKAF COC(=O)c1cc(Cl)c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2c1 587083169 IUUFMHNYWSVZFC-UHFFFAOYSA-N 406.656 5.525 0 1 HKAF Nc1c(F)c(F)cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1F 587136134 CUWQVQRBFRHBEZ-UHFFFAOYSA-N 410.115 5.011 0 1 HKAF CCCOc1cc2nc([C@H](CC)Oc3ccccc3F)[nH]c2cc1Br 587154281 BPWPYLJCEJJFRT-INIZCTEOSA-N 407.283 5.783 0 1 HKAF CC[C@@H](C)n1ncc(I)c1-c1nc2c(C(C)(C)C)cccc2[nH]1 587180186 DXFHMWMBJURLMV-LLVKDONJSA-N 422.314 5.300 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587192501 UUJMZDNJVJKANI-QGZVFWFLSA-N 423.410 5.677 0 1 HKAF C[C@]12CC(=O)[C@@H]3[C@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@H]1CCC2=O 587214473 ARXVSBVUHQCDLW-VFCFSLMDSA-N 411.545 5.264 0 1 HKAF C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326186 BAVVMBBTTAZGNN-UNMCSNQZSA-N 416.370 5.824 0 1 HKAF C[C@]1(Cc2ccc(F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336218 PRAMKGZSTGBZRJ-JTHBVZDNSA-N 414.835 5.684 0 1 HKAF CC(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 587337485 PPGYSQCNMNODFT-UKILVPOCSA-N 419.452 5.072 0 1 HKAF Cc1ccc2oc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2n1 587345735 KIYAIHSPFJXHPC-ISKFKSNPSA-N 403.409 5.255 0 1 HKAF CC(C)c1ccc2c(c1)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355829 WOLFAUYAWOODSJ-XNMGPUDCSA-N 416.492 6.245 0 1 HKAF CC(C)(C)[C@@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357941 XEXNPIVEYGYROY-BVAGGSTKSA-N 404.481 5.918 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]([C@H]2CCCN2C)CCC3)c1 587362600 HYVGYRMCPWKUGL-SIKLNZKXSA-N 412.533 6.171 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC[C@H]3c2ccnn2C)c1 587364620 YONRYUPEHICQJH-SFHVURJKSA-N 409.489 5.858 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1Oc1cccc(C(F)(F)F)c1)O2 587381204 HMEMHMLMQNQDGB-OAQYLSRUSA-N 413.395 6.095 0 1 HKAF CCCC[C@@H](CC)COc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441115 JCAULZWGPJMRFL-VPWUQYKFSA-N 408.538 5.953 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1c1cccc(C(F)(F)F)c1)CC2=O 587463809 CJVCMNJNGKFAQU-AVRDEDQJSA-N 404.428 6.035 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCCC(=O)O)(c1ccc(C(C)C)cc1)CC2=O 587489042 MKGMPTAHPHMLEX-RUZDIDTESA-N 410.510 5.584 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1c(C)cc(C)cc1C)CC2=O 587489765 PROQIFLPMBCECY-HHHXNRCGSA-N 400.518 6.179 0 1 HKAF C[C@@]1(c2ccc(Cl)c(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587503469 OGYGRYBASCWSTI-FQEVSTJZSA-N 405.719 5.862 0 1 HKAF O=C1C[C@@H](c2cccnc2Sc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587531248 GXKMTOOFMRCHIK-QFIPXVFZSA-N 421.949 6.472 0 1 HKAF Cc1ccc2c(c1)Oc1cc(O)cc(O)c1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587533439 TULKBDCNPSMURZ-SANMLTNESA-N 414.457 5.300 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(Cc1ccccc1)CC2 587600796 BMTNNNIQWGWEJM-GFXGUTMFSA-N 400.474 5.526 0 1 HKAF Cc1nc2c(Cl)cccc2c(Cl)c1Cc1c(C)[nH]c2ccc(F)c(Cl)c12 587628529 NEMQPBVQBJPPMQ-UHFFFAOYSA-N 407.703 7.023 0 1 HKAF CCc1cccc(CC)c1NC(=O)c1c(-c2ccccc2)[nH]c2ccc([C@H](C)CC)cc12 587641892 IIYWSPJEFSBLEA-LJQANCHMSA-N 424.588 7.726 0 1 HKAF Cc1c(Br)cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587675843 DFYDMOAFPCPNKU-VVVCHXIZSA-N 413.128 5.283 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3cccn3)cc2Cl)N1 587692278 GSYNFQNOJHMRSZ-NSPYISDASA-N 420.713 5.051 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3nc(Cl)ccc32)N1 587703223 GIZKTSOTMWROQO-YBTHPKLGSA-N 423.757 5.387 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(Br)c2)N1 587728455 FAAOOURQNLCTIU-ZKANADHPSA-N 417.091 5.113 0 1 HKAF CC[C@@]1(c2ccc(OC(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587797451 XBFNHBWBCAYADK-SZNDQCEHSA-N 406.339 5.563 0 1 HKAF CCOc1cccc2[nH]cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c12 587801055 CXJPCNSMFRMLGS-BIBXISHDSA-N 403.295 5.092 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Nc1ccc(C)cc1Cl 587856595 NRIBQKKLQPHRJQ-UHFFFAOYSA-N 424.715 6.298 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2c(F)cc(F)cc2s1 587861709 BRKDEPBDGQJWSB-UHFFFAOYSA-N 411.355 5.455 0 1 HKAF FC(F)(F)Oc1cc2nc(Cc3ccccc3-c3ccccc3)[nH]c2cc1Cl 587958455 DFPLHTIRZLCHMQ-UHFFFAOYSA-N 402.803 6.373 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@@]12C 685935849 NAJCQAAOHKVCES-CUHMRVLVSA-N 424.713 8.377 0 1 HKAF biogenic,in-vitro Fc1ccccc1-c1ccc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)o1 962633952 HCSQNUSBZPZTBF-DFHRPNOPSA-N 424.519 5.922 0 1 HKAF Fc1ccc([C@@]2(CCSc3ccccn3)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963095044 CAPIIUORBXEVDM-RDGATRHJSA-N 422.544 5.806 0 1 HKAF O=C(C[C@]1(c2ccc(Cl)s2)c2ccc(F)cc2C[C@@H]2CCCN21)C(F)(F)F 963106550 KDIQRYVGZCDTML-SCLBCKFNSA-N 417.855 5.326 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@H]2c1c(-c2ccc(F)cc2)c2ccccc2n1C 963258123 NLDAWSAIUFHCIV-XMMPIXPASA-N 420.915 5.882 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCC1OCCCO1)c1ccc(F)c(F)c1 963260545 YBWAZWZMXLERPW-AVRWGWEMSA-N 415.524 5.408 0 1 HKAF c1ccc2c(Nc3ccc4n[nH]cc4c3)nc(NCCc3c[nH]c4ccccc34)nc2c1 1772574284 ZVDCEUVMYWFFPA-UHFFFAOYSA-N 419.492 5.386 0 1 HKAF CCC(=O)N1CC[C@@]2(Cc3cccc(C)c3)c3ccccc3N(Cc3cccc(C)c3)[C@@H]12 1857584297 MQZXOMPTUHROEC-FQLXRVMXSA-N 424.588 5.773 0 1 HKAF C=Cc1c(OC)cc(/C=C/c2ccc(C(=O)OCc3ccccc3)cc2)cc1OC 1857604471 KMKDESJVYLUOHP-ZHACJKMWSA-N 400.474 5.874 0 1 HKAF CC[C@H](CCC(C)=C1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356671521 BRVYWOZQRGZTAN-QTAVXPRISA-N 412.702 8.089 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CC[C@]1(C)C2=C(CC[C@@H]1C)C(C)(C)CCC2 2356852302 QOYQXVXFFWDLHS-SIBVEZHUSA-N 423.649 5.942 0 1 HKAF O=C1C(Nc2ccccc2)=C[C@@H](c2ccc(C(F)(F)F)cc2)N1c1ccc(F)cc1 211058508 SUJIQPVSFCKIFP-NRFANRHFSA-N 412.386 5.928 0 3 HKAF CCOc1cccc(-c2onc(-c3ccccc3F)c2C(=O)NCc2ccccc2)c1 775378 WRFQUFKQLMZXGI-UHFFFAOYSA-N 416.452 5.476 0 1 HKAF Cc1ccc2c(c1)C(NC1C[C@@H]3CC[C@H](C1)N3Cc1ccccc1)=Nc1cccnc1N2 13492092 LIBNJNRMHRQQCZ-FRIKZZABSA-N 423.564 5.311 0 1 HKAF CC(C)CCC[C@]1(c2ccccc2)CC(=O)[C@H](SCCc2ccccc2)C(=O)O1 18102215 GLFAMZFRRNQVRB-UKILVPOCSA-N 410.579 5.569 0 1 HKAF Cc1cc(SCCCC(C)(C)C(=O)O)c(C)cc1OCCCC(C)(C)C(=O)O 25974796 YDTRARRBHACXLO-UHFFFAOYSA-N 410.576 5.556 0 1 HKAF O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1CCCc1ccccc1 26022511 OJTQZQWNFPOOPW-UHFFFAOYSA-N 403.092 5.529 0 1 HKAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2ccccc2[C@@H]1CN1CCCCC1 26578908 MGNLKYVBGWLQQJ-QFIPXVFZSA-N 417.380 5.148 0 1 HKAF NCCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 28825971 DRCJEADSHZHTSV-UHFFFAOYSA-N 405.586 5.429 0 1 HKAF CN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC12CCCCC2 36093083 KDDUICUDCSCLSK-ISKFKSNPSA-N 412.980 6.006 0 1 HKAF Nc1cc(C2CCC2)nc2ccc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)cc12 36351896 DZBRSGDTRPYNOH-IZZDOVSWSA-N 411.427 5.755 0 1 HKAF O=c1oc2ccccc2c2c1[C@H]1O[C@](c3ccsc3)(Cc3c1ccc1ccccc31)O2 36379252 WSZOLPLBXAYCET-JYFHCDHNSA-N 424.477 5.915 0 1 HKAF CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 40165396 ZNCHPOYZMVVJCK-DIPBILQQSA-N 418.662 5.330 0 1 HKAF endogenous,in-man CCCOc1ccc(Oc2ccc(-c3ccc([C@H](C)NC(=O)CC)cc3)cn2)cc1 45258909 DPOSUPYMANQIIJ-SFHVURJKSA-N 404.510 5.917 0 1 HKAF CC(C)=CCCC1=C[C@@H](C/C(C)=C/CC[C@]2(C)C=Cc3cc(O)cc(C)c3O2)OC1=O 66157578 BNWXBVSPPVIYFO-URLCLMEBSA-N 422.565 6.580 0 1 HKAF Fc1ccc(-c2cc3nc(-c4ccccc4)cc(NCCN4CCCCC4)n3n2)cc1 72183678 PPWUARNEHKXTQR-UHFFFAOYSA-N 415.516 5.100 0 1 HKAF COc1cccc([C@@H](O)c2nnc(Nc3cccc(Oc4ccccc4)c3)s2)c1 82078536 JNHJVKAGQCIPGN-HXUWFJFHSA-N 405.479 5.164 0 1 HKAF Cc1nc(-c2cnc(NCCOc3ccccc3)nc2-c2ccccc2F)sc1C 82175537 XQLPEVWPKYXICI-UHFFFAOYSA-N 420.513 5.514 0 1 HKAF COc1cccc(-c2[nH]c3ccccc3c2Sc2cc(OC)c(OC)c(OC)c2)c1 95593272 WIJWOQRSVYOWGA-UHFFFAOYSA-N 421.518 6.021 0 1 HKAF CSc1nc2cc(Br)ccc2c2[nH]c(-c3ccccc3Cl)nc12 95605079 HBVQBHYAUBXGER-UHFFFAOYSA-N 404.720 5.916 0 1 HKAF Clc1ccccc1-c1ccc(-c2nnc(-c3ccc(Br)cc3)o2)o1 103208901 JQPYKBAREUSUKL-UHFFFAOYSA-N 401.647 6.080 0 1 HKAF CCC[C@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccccc1Cl)CCCC3 113123682 OJFUIABBRPQLEH-INIZCTEOSA-N 413.970 6.772 0 1 HKAF CC(=O)n1ccc2cc(NC(=O)c3cc4c(C)nn(C5CCCCC5)c4s3)ccc21 114714967 QVLAUPLVACZHSE-UHFFFAOYSA-N 420.538 5.779 0 1 HKAF CNc1ccc(S(=O)(=O)N(CCC2CC2)c2sc3ccccc3c2Cl)cc1 115232449 PKJSWJZPFMKYIW-UHFFFAOYSA-N 420.987 5.592 0 1 HKAF O=C(O)c1ccc2c(c1)nc(Nc1cccc(Oc3ccccc3)c1)c1ccsc12 167763467 WLHBYTISGJRDBX-UHFFFAOYSA-N 412.470 6.684 0 1 HKAF Clc1ccc(Sc2oc(C3CCOCC3)nc2-c2cnc3[nH]ncc3c2)cc1 199788067 NSKIGBYEICNMMC-UHFFFAOYSA-N 412.902 5.312 0 1 HKAF O=C1CCCCCCCCCCCCCCCCCCCCCCCCCCCO1 238742870 JPCLSLDKJICTIX-UHFFFAOYSA-N 422.738 9.686 0 1 HKAF CN1CCCCCCCCCC(=O)OC[C@@H]2[C@@H](C[C@H]3CC[C@H]2N3C)c2ccc1cc2 253674196 GFWKSCDPOYKBDG-ZFFYZDHPSA-N 412.618 5.367 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 255264441 SGNBVLSWZMBQTH-BOLKKWOKSA-N 400.691 7.635 0 1 HKAF Nc1ccc(-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)cc1F 299861247 HZJZJMNPPFADIR-UHFFFAOYSA-N 415.346 5.936 0 1 HKAF COc1cc(/C=C/c2nc3cc(C)cc(Br)c3[nH]2)ccc1Br 586975560 DZHLOECRUQWEHR-GQCTYLIASA-N 422.120 5.575 0 1 HKAF COc1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cc1OC 586999892 DDSLVBJYYMGCHY-UHFFFAOYSA-N 413.271 5.075 0 1 HKAF COc1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 587018009 SXZUWWRAIPINHU-UHFFFAOYSA-N 406.330 5.110 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587035277 ULHSSWLQYJMSEP-AWEZNQCLSA-N 418.349 6.356 0 1 HKAF FC(F)(F)Oc1cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2cc1Cl 587063595 WYXHAEIVRAVMCH-UHFFFAOYSA-N 414.170 6.090 0 1 HKAF CC(C)Oc1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1 587067898 BCKONMLELBHVEF-UHFFFAOYSA-N 418.884 6.116 0 1 HKAF Clc1cccc(-n2nc(-c3nc4cc5c(cc4[nH]3)OCO5)cc2-c2ccco2)c1 587068253 NOPGYDVRNKRJJR-UHFFFAOYSA-N 404.813 5.058 0 1 HKAF COc1cccc([C@@H]2CCCc3c2nc2c(C)ccc4c2c3-c2ccccc2C4=O)c1 587096824 HTKVTIIXROIQFG-IBGZPJMESA-N 405.497 6.231 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(-c4cncc(C(F)(F)F)c4)[nH]c3c2)cc1 587115192 HQTDDTGOJHEJIS-UHFFFAOYSA-N 413.355 5.223 0 1 HKAF FC(F)(F)c1nc2ccncc2cc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587115749 ABABLFSXHBUJOH-UHFFFAOYSA-N 422.435 6.343 0 1 HKAF CCS(=O)(=O)c1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587126706 XOICXPQMTIFDEP-YHYXMXQVSA-N 412.458 5.139 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c(F)c1 587144024 FEYSPBSVXWJIGX-UHFFFAOYSA-N 415.251 6.349 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c(F)c2)c(F)c1 587150258 BPTFDAAOEWSFIN-UHFFFAOYSA-N 404.338 6.203 0 1 HKAF COC(=O)Nc1ccc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)cc1 587243498 NCPIIPAXUVYYSN-UHFFFAOYSA-N 403.282 5.446 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ccc1OCc1cccc(F)c1)O2 587385357 SFRVETAWDQJZOM-JOCHJYFZSA-N 411.860 5.655 0 1 HKAF COc1cc2c3c(c1)O[C@](CCc1ccccc1Cl)(c1ccccc1)[C@@H](C2)C3=O 587421117 SVJKRILHEHOGKI-NBGIEHNGSA-N 404.893 5.624 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)cccc1Oc1ccccc1)CC2=O 587461726 SMRWEJYEAFPLRE-QFIPXVFZSA-N 408.881 6.497 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc3c(C(F)(F)F)ccc(Cl)c3[nH]1)CC2=O 587464285 NDJPNEWXAZHZPI-SFHVURJKSA-N 423.818 6.205 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3cccc(C(F)(F)F)c3n1)CC2=O 587464933 ZHQNNPBAJRFPRK-IBGZPJMESA-N 401.384 5.618 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCc3c(Br)ccc(F)c31)CC2=O 587471149 JDKTYWAYQCYYIA-HXUWFJFHSA-N 405.263 5.053 0 1 HKAF O=C1C[C@@H](c2ccc3ccccc3c2Br)Oc2c1ccc1c2CCCC1 587500433 WVCYYZGQJBDPDN-NRFANRHFSA-N 407.307 6.188 0 1 HKAF Cc1ccc(-c2onc3ccc([C@H]4CC(=O)c5ccc6c(c5O4)CCCC6)cc23)cc1 587528363 YCRBNQPUAMHGSQ-RUZDIDTESA-N 409.485 6.389 0 1 HKAF Cc1cccc(Br)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542183 XMPKBBHIBFMOQP-WIYYLYMNSA-N 411.251 5.166 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(CCC(F)(F)F)c1 587550684 WDUZDFGGKINPEC-DENIHFKCSA-N 414.379 5.590 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2F)s1 587568032 JYOHPYKJEHZFFB-XUZZJYLKSA-N 418.445 5.963 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)C1CCCC1 587568936 GJVFMMCKGIJJES-WIOPSUGQSA-N 404.437 5.579 0 1 HKAF C[C@@H](C[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1cn(C)c2ccccc12 587580419 XRGOOVNEFJHNBX-ZCWWJEROSA-N 413.473 5.408 0 1 HKAF CCCOc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 587595241 KKKQXEPXPMAUGZ-ZEQKJWHPSA-N 416.473 5.373 0 1 HKAF CCCCC[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611738 TWYURIMMDBBBMB-RCZVLFRGSA-N 404.462 5.535 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2c(Cl)cccc2Cl)N1 587696478 ULLHWMYVDUULLY-MGNBDDOMSA-N 417.149 5.887 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SC(F)F)cc2)N1 587713492 DGIOOCUWGGMNSJ-FVMDXXJSSA-N 402.279 5.527 0 1 HKAF CC[C@@]1(c2cc(F)c(OC)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587719057 KDQVYTVOKNUURA-DGIBIBHMSA-N 414.265 5.063 0 1 HKAF COc1ccc(C[C@H](C)[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587726162 VLDGXJKVILSNDI-JOOBJXAISA-N 410.302 5.190 0 1 HKAF Cc1cc(F)ccc1N1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587730834 KYCPHULMBIFVTQ-AWEZNQCLSA-N 421.329 5.066 0 1 HKAF CCn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(OC)ccc21 587760062 WXIGCDGOWFGVBI-GTJPDFRWSA-N 417.322 5.195 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1CC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587810865 DKGOOIIYNJQHCN-JLDZCNIISA-N 408.399 6.500 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2ccccc2)(c2ccccc2)N1 587815877 QWECQLVFUAGRSO-NPMXOYFQSA-N 424.313 5.249 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(-c2ccccc2)nc(C)n1 587865791 JBDKKVCPPCTUJC-UHFFFAOYSA-N 424.426 5.722 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 587870705 GURVZYINJLWLAQ-LBPRGKRZSA-N 423.271 5.502 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c([C@@H](c3ccccc3)c3ccc(OC)cc3)nc2c1 587933610 SLNUAJMTZOKDMW-FQEVSTJZSA-N 406.869 5.192 0 1 HKAF CCCCOc1ccc(OCCCC)n1-c1cc2cnccc2c(Br)n1 587940823 MXDSHORLXTUGQQ-UHFFFAOYSA-N 418.335 5.541 0 1 HKAF CCN(CC)c1ccc(Cl)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12 653719930 TXLZWQCECKNYNS-UHFFFAOYSA-N 407.345 5.787 0 1 HKAF COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(SC)cc2)cc1 653905727 GLQOJKXZMKMKPD-CXUHLZMHSA-N 400.503 5.287 0 1 HKAF FC(F)(F)C[C@@]1(COCc2ccccc2)NCCc2cccc(-c3ccccc3)c21 962664962 IZSSSEWHZLPWMJ-DEOSSOPVSA-N 411.467 5.864 0 1 HKAF C[C@H](OC(=O)C[C@]1(C)c2cccc(F)c2CCN1[C@H]1CCSC1)c1ccccc1 962696828 GWTLXZDGCCURFB-WVMBUTMQSA-N 413.558 5.099 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1ccccc1Sc1ccc(Cl)cc1 963245123 ZMLVGHIAXDRUBF-IQGLISFBSA-N 408.010 7.237 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(COc1ccccc1)c1ccc(Cl)cc1 963257571 KUCSKTZOAXGORZ-RXFWQSSRSA-N 405.969 6.319 0 1 HKAF Clc1ccccc1-c1ncccc1C[C@@H](c1cccnc1)c1cccnc1Cl 1772637124 XYAPGPIGTTXTDZ-FQEVSTJZSA-N 406.316 6.220 0 1 HKAF Cc1ccc(C)c2sc(N(CCCn3ccnc3)C(=O)C=Cc3cccs3)nc12 1857590616 KNCFHOHQEOOSMC-UHFFFAOYSA-N 422.579 5.308 0 1 HKAF O=C(/C=C/c1ccccc1)OCc1cn(Cc2c(Cl)cc(Cl)cc2Cl)nn1 1857618017 IKEXIXMVBFWSRQ-VOTSOKGWSA-N 422.699 5.043 0 1 HKAF CC(C)COc1ccccc1CNC(=O)c1c2c(c(Cl)n1C)C[C@H](C)[C@@H](C)C2 1857644530 FGJCFKJUONTFRL-HOTGVXAUSA-N 402.966 5.014 0 1 HKAF CC(C)CCC[C@@H](CO)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356530599 GTZWTRBGKCIOLZ-IVLPSUPNSA-N 418.662 5.332 0 1 HKAF CC(C)=CCCC(C)=C1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCCC(C)(C)[C@@H]3CC[C@]12C 2356609575 GPZIDTBDDBXXAW-HZMPVCFLSA-N 410.730 9.508 0 1 HKAF CC(C)=C1CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@@]21C 2356844353 NTZCFZIEUJGSQA-BWPNZBDMSA-N 424.713 8.377 0 1 HKAF CCCN(CC1CC1)c1nc(C)nc(C(=O)c2c(CC)cc(CC)cc2CC)c1C 1545460 DSSOEFZTJGNSJT-UHFFFAOYSA-N 407.602 5.638 0 1 HKAF Cc1noc(C)c1-c1ccc2ncnc(NCc3ccc(-c4ccccc4)cc3)c2c1 13828579 WTYUMESWZXYXHB-UHFFFAOYSA-N 406.489 6.181 0 1 HKAF C[C@H]1CC=C[C@@H]2[C@@H](c3ccc(F)c(Br)c3)N(Cc3ccccc3)C(=O)[C@H]12 13830595 ZESNJJBGEWLRGV-JGMDCFHESA-N 414.318 5.500 0 1 HKAF CC(=O)OC[C@@H]1CC[C@@H]([C@@H](C)CCC=C(C)C)c2cc(C(=O)O)cc(OC(C)=O)c21 15116878 KUKYWGGLHCZNPB-QSFXBCCZSA-N 416.514 5.217 0 1 HKAF biogenic CC/C(=C(/c1ccccc1)c1ccc(OC(C)=O)cc1)c1ccc(OC(C)=O)cc1 26015471 OSZQLAMYVFQHQW-OCEACIFDSA-N 400.474 5.906 0 1 HKAF Cc1ccccc1N(C)C(=O)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 28826695 XJBZKPAZOYCEFA-UHFFFAOYSA-N 402.372 5.836 0 1 HKAF C(CCCCCCC1=N[C@@H]2CCCC[C@H]2N1)CCCCCC1=N[C@@H]2CCCC[C@@H]2N1 28865514 MBECNIXDQMCFPX-YCAMKHIRSA-N 414.682 6.293 0 1 HKAF Clc1ccc(CC[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 33493901 RNLYYCOORPJAEP-CQSZACIVSA-N 414.163 6.913 0 1 HKAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](N(C=O)CCC(C)(C)C)CC[C@@H]4[C@H]3CC[C@@H]12 36189624 HAPCTYIHYYGVQQ-JEZHVEKISA-N 416.650 5.113 0 1 HKAF CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Nc1cc(C)ccc1C 40412928 MYPDFKCKAILAMW-JOCHJYFZSA-N 414.593 6.988 0 1 HKAF CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5ccc[nH]5)CC4)cccc3[nH]2)cc1 40954234 UUTJGYQGLNPYMO-UHFFFAOYSA-N 413.569 5.178 0 1 HKAF Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCC[C@H]3CC(=O)O)c1 59570154 QONYCNAVUDCWLL-QFIPXVFZSA-N 400.518 6.444 0 1 HKAF COc1ccccc1[C@@H](CCN(C(C)=O)[C@@H](C)c1ccccc1)[C@@H]1CCC(C)(C)OC1 64361520 OEXWBBSZVDWIDB-ZTCOLXNVSA-N 423.597 5.984 0 1 HKAF c1ccc2c[n+](Cc3ccc4ccc(C[n+]5ccc6ccccc6c5)cc4c3)ccc2c1 66077300 KNPXKNFBXUYCEE-UHFFFAOYSA-N 412.536 5.818 0 1 HKAF CCOc1ccccc1N(Cc1ccccc1)Cc1coc(-c2ccc(O)cc2)n1 72103426 IPPDZZADMACYRA-UHFFFAOYSA-N 400.478 5.653 0 1 HKAF C[n+]1ccc(C(c2c[nH]c3ccccc23)c2cc[n+](C)c3ccccc23)c2ccccc21 72135906 BJGKAAIRNQIUSU-UHFFFAOYSA-N 415.540 5.304 0 1 HKAF Cc1cccc(-c2nc(NCc3ccccc3)ncc2C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 82146719 DUCDKUZKZVONSD-WOJBJXKFSA-N 414.553 5.182 0 1 HKAF CC[C@@H](C)NC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc(-c2ccccc2)cc1 82159297 MYZBWMGZIMUDHW-LJQANCHMSA-N 416.569 5.431 0 1 HKAF CCC1=C(c2nc(C3CCCCC3)co2)[C@H](c2ccc(O)c(Cl)c2)NC(=O)N1 84632227 CAQAEWCANVYDMM-IBGZPJMESA-N 401.894 5.257 0 1 HKAF CC(C)(C)C1=NN(C(=O)c2ccc(Cl)cc2Cl)[C@H](c2ccc3c(c2)OCO3)C1 95554001 FCCQFUKFADDRPX-INIZCTEOSA-N 419.308 5.711 0 1 HKAF O[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12 101185332 YQJSOEKFOQHZGK-FAQVEIGNSA-N 402.321 5.754 0 1 HKAF CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc(C)o2)C2=C(O)CC(C)(C)CC2=N1 102677762 LPSDBVFUKWUIJO-HSZRJFAPSA-N 404.510 5.979 0 1 HKAF Cc1ccc(NC2=NN(C(=O)COc3cccc(C)c3)[C@H](c3ccccc3)S2)cc1 103196636 RYSUEJOYQOHICV-QHCPKHFHSA-N 417.534 5.340 0 1 HKAF CCCCCN(C(=O)Nc1nccs1)c1ccc(OC(C)(C)C(=O)OCC)cc1 103243964 WNBRKOJXLGQWDE-UHFFFAOYSA-N 419.547 5.092 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccc(Oc2ccccc2)cc1 103270581 JIGAHDXVFLETEY-QFIPXVFZSA-N 417.505 5.750 0 1 HKAF COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4cccc(O)c4)C3=C(O)C2)cc1 104690437 VCUWGAPNNKGXDP-HFJWLAOPSA-N 412.489 6.030 0 1 HKAF Cc1cc(C)c2nc(Nc3ccc(Cl)cc3)cc([C@@H](O)C[C@H]3CCCCN3)c2c1 169334715 XIFOSPUAUSCZBL-KNQAVFIVSA-N 409.961 5.814 0 1 HKAF CCCCN(CCCC)C[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2sccc12 169336070 HNHWEMPDCUFQNG-OAQYLSRUSA-N 423.544 7.009 0 1 HKAF c1ccc(CN[C@@H]2C3C[C@@H]4CC[C@@H](C3)N4[C@H]2C(c2ccccc2)c2ccccc2)cc1 169371009 AIGRKPPMDORFBF-KGKLHAENSA-N 408.589 5.602 0 1 HKAF CC(C)CC[C@H](O)[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 169684338 LMMRHWWBNFVJIU-JOXZBDCSSA-N 404.679 6.584 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1C/C=C/[C@@H]2CC[C@H]3C[C@@H](O)CC[C@]3(C)/C2=C/C[C@@H]1C)C(C)C 238748146 HKYYLANUJNZBFK-CDFWENNQSA-N 414.718 8.191 0 1 HKAF COc1cc(C)c2c(c1C)CC[C@@](C)(CC/C=C(\C)CC/C=C(/C)CCC=C(C)C)O2 238779889 MTGHTKWQBDGLJZ-QVAHHXKESA-N 424.669 8.595 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC=C(C5(C)OCCO5)[C@@]4(C)CC[C@H]32)C1 254079144 RKDVZUVKDIUZHM-DMPLHEPCSA-N 402.575 5.260 0 1 HKAF O=C(/C=C/c1ccc(Cl)cc1)Nc1cc(-c2ccc(Br)cc2)[nH]n1 299864592 MPCAYDCNTAQXKU-XCVCLJGOSA-N 402.679 5.145 0 1 HKAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 586964088 UNBNBPGBFFBUAN-IBGZPJMESA-N 406.511 5.189 0 1 HKAF Cc1ccc2c3c(cc(-c4sc(N)nc4C(F)(F)F)nc13)-c1ccccc1C2=O 586996828 SPEAPTBQGSEOQW-UHFFFAOYSA-N 411.408 5.479 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4cnc(Br)cc4[nH]3)cc2)n1 587019988 AUCACULVAGILNX-UHFFFAOYSA-N 417.357 5.445 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(Br)ncc4[nH]3)c2)c1 587050504 RCOUAMKKSAWEBM-UHFFFAOYSA-N 412.674 5.520 0 1 HKAF COC(=O)c1ccnc2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc12 587074147 UAICKBYVLXMXAJ-SDXDJHTJSA-N 417.896 5.571 0 1 HKAF O=C(O)c1cccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587074186 UKBZMXDIZQNQFM-SDXDJHTJSA-N 402.881 6.088 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cccc(Cl)c2[nH]1 587083357 PXJFASVLXFKYND-KTKRTIGZSA-N 417.727 6.247 0 1 HKAF Cc1cc(Br)cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 587095279 UOXAIANAMQAURN-UHFFFAOYSA-N 423.154 6.338 0 1 HKAF Cc1ccc(-c2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)cc1 587099347 FLQDPEFCZCZXIK-UHFFFAOYSA-N 411.504 7.397 0 1 HKAF Cc1ccc(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)c(C)c1 587101852 WPAJWENPRSQQHF-UHFFFAOYSA-N 407.469 5.666 0 1 HKAF FC(F)(F)c1cc(CCc2nc3cc4c(cc3[nH]2)OCCO4)cc(C(F)(F)F)c1 587111117 OOHMKDNJGNMYHH-UHFFFAOYSA-N 416.321 5.157 0 1 HKAF Cc1ccc2c(ccc3nc(-c4ccc(-c5ccc(C(=O)O)cc5C)cc4F)[nH]c32)n1 587145420 WFNDPQXIOAOGQV-UHFFFAOYSA-N 411.436 5.899 0 1 HKAF CC[C@H](Oc1ccccc1F)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587154229 AIUMEEGOVJSUHF-ZDUSSCGKSA-N 417.200 6.013 0 1 HKAF Cc1ccc(C)c2[nH]c(-c3ccc(Oc4ccc(F)cc4Br)nc3)nc12 587161572 XHQYSQVXCHDNJV-UHFFFAOYSA-N 412.262 5.936 0 1 HKAF COc1cccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12 587165592 FGOUQWVINGDGJU-UHFFFAOYSA-N 413.456 5.048 0 1 HKAF CC(C)COc1cc2nc([C@@H](C)c3ccc(N(C)C)cc3)[nH]c2cc1Br 587197851 VPLXTGNVXSCRRP-AWEZNQCLSA-N 416.363 5.578 0 1 HKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc(Br)cc(F)c3[nH]2)c1 587242053 MCTSIGDNVDOKLX-UHFFFAOYSA-N 404.283 5.506 0 1 HKAF COc1cccc(-c2c(Cc3c[nH]c4ccccc34)c(C)nc3c2oc2ccccc23)c1 587362875 MHNQHFJWWYWUMG-UHFFFAOYSA-N 418.496 7.037 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C2=C(CC3)NC(=O)[C@H](C)C2)c1 587363921 ULEJVMWUMAKMGQ-CQSZACIVSA-N 410.473 5.470 0 1 HKAF COc1cccc(-c2cc(-c3cc4cnccc4nc3C)nc3c2oc2ccccc23)c1 587364218 YVKJSNWKFCKNAP-UHFFFAOYSA-N 417.468 6.575 0 1 HKAF CC(C)[C@@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587371827 DLQILRWMRJHQEH-IRLDBZIGSA-N 416.901 6.157 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3c4ccc5cc(O)ccc5c4CC[C@@]31C)O2 587402687 BGSBJFJIWWMKJG-CAVYSCNFSA-N 413.517 5.670 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccc(Br)cc3)s1)O2 587412280 IMEKJCCHRNPZBW-MRXNPFEDSA-N 415.312 5.170 0 1 HKAF COc1cc2c3c(c1)O[C@](c1cccc(Cl)c1)(c1ccccc1Cl)[C@@H](C2)C3=O 587420409 OUWHCUHZAHGTCW-FDDCHVKYSA-N 411.284 5.693 0 1 HKAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4Sc4ccc(Cl)cc41)[C@@H](C2)C3=O 587453095 PMRHQAPKIFNYME-GAJHUEQPSA-N 406.890 5.504 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)cc(OC(C)=O)cc1Cl)CC2=O 587460761 PAFITJGQPGUWMP-SFHVURJKSA-N 409.265 5.283 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2ccc3ccccc3c21 587481445 MEPDRJPTTBGUPB-MUUNZHRXSA-N 406.481 6.387 0 1 HKAF O=C1C[C@@H](c2ccc(S(=O)(=O)CC3CCCC3)cc2)Oc2c1ccc1c2CCCC1 587532590 PJRGHBYESDWQNV-DEOSSOPVSA-N 424.562 5.236 0 1 HKAF Nc1nc2c(s1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C[C@H](c1ccccc1)C2 587537945 LZNLZZBDCHNHFY-NSYGIPOTSA-N 416.546 5.195 0 1 HKAF C[C@@]1(Cc2cc(Cl)cc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544574 FLIBWTDUFYHFCD-UGKGYDQZSA-N 415.272 5.662 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCNc1cc(Cl)ccc12 587551780 JNGCJKROAGDXMS-NZQKXSOJSA-N 407.853 5.108 0 1 HKAF O=C(O)c1cccc2c(-c3nc4ccccc4n3C(F)F)c(-c3cccs3)[nH]c12 587637436 IYABBEQYORAXFA-UHFFFAOYSA-N 409.417 6.006 0 1 HKAF Cc1cc(Cl)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1Cl 587695923 SNHUGUFOWPPURT-XYZCENFISA-N 403.122 5.827 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)cc2N2CCCC2)N1 587726662 KJOBWIIXPBBTPJ-ASSNKEHSSA-N 421.329 5.125 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(F)c3)s2)N1 587728395 DWEOXUDQSLEVEO-BIBXISHDSA-N 420.322 6.079 0 1 HKAF Cc1c(F)ccc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n(C)c12 587728443 SIFMMKZPHJANHR-DGIBIBHMSA-N 405.286 5.151 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c4c(cccc24)CC3)N1 587815036 JSPCQCMUMCUYGW-ZAMGYDSWSA-N 410.330 5.638 0 1 HKAF Cc1ccc([C@@]2(c3ccco3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587831463 XCWWKELCRUEGLK-LHSJRXKWSA-N 400.291 5.316 0 1 HKAF Cc1ccsc1[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587847406 XGLJAGGKPCJUGZ-SZNDQCEHSA-N 416.359 5.784 0 1 HKAF COc1ccc(C2=Cc3ccc(F)cc3[C@@H](CC(=O)CO)N2c2ccc(C)cc2)cc1 653812601 CRFKKMHROIVNOH-AREMUKBSSA-N 417.480 5.154 0 1 HKAF CCc1ccc([C@]2(CCCCC(=O)O)NCCc3cc(-c4ccccc4)ccc32)cc1 962661810 KPOWPSBBVQWXRV-NDEPHWFRSA-N 413.561 5.950 0 1 HKAF COc1ccc(C=O)cc1COc1cccc([C@H]2NCCc3c2sc(C)c3C)c1 963024511 NVBVTRKXIZIZNE-HSZRJFAPSA-N 407.535 5.000 0 1 HKAF CC(C)(C)OC(=O)Nc1nc(Cl)c([C@H]2c3c(F)cccc3C[C@H]3CCCN32)s1 963106155 QVKFXRMKGQCWNP-IUODEOHRSA-N 423.941 5.393 0 1 HKAF C[C@H](CCc1ccccc1)[C@H]1N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963171783 BYOOMKIASSNCDI-RNRVQEDPSA-N 411.851 5.268 0 1 HKAF CCN(CC)CCCNc1nc2ccccc2nc1-c1nc2cc(Cl)ccc2o1 1857584978 WGIFOZISKNCMJJ-UHFFFAOYSA-N 409.921 5.235 0 1 HKAF Nc1ccccc1NC(=O)c1ccc(CSC(=S)N2CCc3ccccc32)cc1 1857655419 RDIHTIPPPUIASI-UHFFFAOYSA-N 419.575 5.102 0 1 HKAF CC(C)=CCCC(C)=CCc1cc(CCC(=O)c2c(O)cc(O)cc2O)ccc1O 2356375986 NJIYMLLTXNGJHV-UHFFFAOYSA-N 410.510 5.560 0 1 HKAF C=CC(C)=CC=C[C@]1(C)C[C@@H](OC(=O)C(C)=CC)[C@@H](OC(=O)C(C)=CC)C(C)(C)O1 2356548837 HBANHAYXQYVIAZ-DNRQZRRGSA-N 416.558 5.389 0 1 HKAF C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@]3(C)CC[C@H]3C(C)(C)CCC[C@]34C)[C@@H]12 2356706037 OOTXFYSZXCPMPG-PLBNPKSNSA-N 412.746 9.134 0 1 HKAF CC(C)=CCc1c2c(cc3c1O[C@H]1Oc4cc(O)ccc4[C@@H]1C3=O)C=CC(C)(C)O2 2356725807 UMUPYTNUCKMVFH-HYBUGGRVSA-N 404.462 5.163 0 1 HKAF CC(=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@@H](C)C(C)C 2356737373 NWPUQBNUEHLQTQ-XGZDGSBNSA-N 414.718 7.881 0 1 HKAF COc1cccc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)c2ccccc2S3)c1 6795884 NWCPQCJKWPFAMU-UHFFFAOYSA-N 405.479 5.080 0 1 HKAF Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2Cl)c1 13673686 HWUKVYPOCLJTSN-UHFFFAOYSA-N 409.902 5.546 0 1 HKAF Cn1nc2c(c1-c1ccc(C(=O)O)cc1)CCc1cc3c(cc1-2)C(C)(C)CCC3(C)C 13742690 MDDHRMBIGSWUGA-UHFFFAOYSA-N 414.549 5.900 0 1 HKAF C/C(=C\Cc1cc(O)cc(C)c1O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 14592910 GTWCNYRFOZKWTL-PGJCHXKPSA-N 402.663 8.334 0 1 HKAF endogenous,in-man Cc1cc(CCCCCOc2c(Cl)cc(C3=NCCO3)cc2C(F)(F)F)on1 27522343 LFPVATJSCHBPID-UHFFFAOYSA-N 416.827 5.224 0 1 HKAF Cc1ccccc1-n1c(CC(=O)C23CC4CC(CC(C4)C2)C3)nc2ccccc2c1=O 29394345 ZKUBHIKEHHPPAQ-UHFFFAOYSA-N 412.533 5.022 0 1 HKAF CCC(=O)C(CCCCCCc1ccc(OCCN(CC)CC)cc1)C(=O)CC 32139014 TXWLPUDKGMXZEN-UHFFFAOYSA-N 403.607 5.475 0 1 HKAF O=C(O)c1ccc(-c2ccc(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)cc2)cc1 40404555 UZLZQLDGSXEEHS-UHFFFAOYSA-N 424.540 6.892 0 1 HKAF c1ccc(C2=NN(c3ccccc3)SC23c2ccccc2Oc2ccccc23)cc1 40424961 GCLHXCBEZWLFPS-UHFFFAOYSA-N 406.510 6.609 0 1 HKAF O=C(Nc1ccc(O[C@@H]2CCN(Cc3ccc(F)cc3)C2)c(Cl)c1)c1ccccc1 45166897 LPALHHKDBQZLJJ-OAQYLSRUSA-N 424.903 5.385 0 1 HKAF O=C(NC[C@@H]1CCN(CC2CCCCC2)C1)c1cc(-c2cccc(Cl)c2)cs1 45194175 WQUBXENWNLFFOL-SFHVURJKSA-N 417.018 5.701 0 1 HKAF CC(C)c1ccc(C(=O)C[C@H](C(=O)Nc2ccccc2)n2ccnc2)c(C(C)C)c1 45364023 OVCKKPHWMFYONV-HSZRJFAPSA-N 403.526 5.583 0 1 HKAF Cc1nn(-c2ccccc2)c(C)c1Cc1nnc(Cc2ccc(Cl)cc2Cl)o1 49784625 WJKANEBFGKYNDC-UHFFFAOYSA-N 413.308 5.361 0 1 HKAF O=C(NCc1ccccc1F)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 71281191 HOEIOUPOJJDFMI-UHFFFAOYSA-N 413.408 5.219 0 1 HKAF CCCCCCN(C=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 78411553 GMEAODWEIDSCAS-GHYYLGMGSA-N 416.650 5.257 0 1 HKAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccccc2F)C1 82151938 SDAFHWBAKIYPNW-CALCHBBNSA-N 410.537 5.145 0 1 HKAF Fc1ccccc1-c1nc(NCC2CCCCC2)ncc1-c1nc2ccccc2s1 82175338 MMCMVVAEFIBPDL-UHFFFAOYSA-N 418.541 6.552 0 1 HKAF Cc1cnc(-c2cnc(N3CCC(C)CC3)nc2-c2ccc(-c3ccccc3)cc2)o1 82176739 FGMCGTPDUGHVOU-UHFFFAOYSA-N 410.521 6.010 0 1 HKAF COc1cc(-c2cccc3c(Br)c(OC)ccc23)cc(OC)c1OC 84635999 JFLLAPDDMWWKCX-UHFFFAOYSA-N 403.272 5.304 0 1 HKAF CC1=CC[C@@]2(C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@H]1C 85918007 CJRZLPSJKBMUPM-IPGPPEAGSA-N 424.713 8.233 0 1 HKAF in-man C[C@@](O)(c1ccccc1)c1ccc(-c2nc(C3CCC3)n3ccnc(N)c23)c(Cl)c1 96168109 KPRJHKARUPCPIB-XMMPIXPASA-N 418.928 5.155 0 1 HKAF CC(=O)c1cccc(C(=O)O[C@H]2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)c1 96914351 WNDKUXZHQJANCM-RDKKGYDHSA-N 412.614 7.093 0 1 HKAF CCN(CC)C(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3C)c2ccc(OC)cc2)cc1 100819269 YBLMKLANMRPPGX-DNQXCXABSA-N 418.581 5.236 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O 118936753 HHVQPBXBALLUDF-SKFIKBPBSA-N 418.662 5.618 0 1 HKAF endogenous,in-man O=C(NCCc1ccc(CN2CCCC2)cc1)c1ccc(-c2ccc(Cl)cc2)cc1 139238440 HAKKERAGHOXDDR-UHFFFAOYSA-N 418.968 5.575 0 1 HKAF O=C(NCC1CCCCC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 146196348 FHYRPMUMLBXQTM-UHFFFAOYSA-N 402.498 5.323 0 1 HKAF CCCCN(CCCC)C[C@@H](O)c1ccc(Cl)c2nc(-c3ccccc3)ccc12 169337314 NZVCZLGIJCJYSU-XMMPIXPASA-N 410.989 6.491 0 1 HKAF CC(C)=CCc1c(O)cc(O)c2c(=O)cc(-c3cc(O)c4c(c3)C=CC(C)(C)O4)oc12 299833196 LJVOUFXVBIKXNV-UHFFFAOYSA-N 420.461 5.270 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(F)cc(C(F)(F)F)c4)nc13)-c1ccccc1C2=O 586992060 CKHOWPJCQWNMEM-UHFFFAOYSA-N 407.366 6.580 0 1 HKAF COc1cc(/C=C\c2nc3cccc(C(=O)O)c3[nH]2)cc(Cl)c1OCC(C)C 587046461 GTTXCNZSJQWVJT-FPLPWBNLSA-N 400.862 5.128 0 1 HKAF CC(C)(C)c1cccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c12 587060241 HJWVVPPIPNCZBW-UHFFFAOYSA-N 411.936 7.396 0 1 HKAF FC(F)(F)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1 587081834 VZIQCVXSXAAZRX-UHFFFAOYSA-N 413.790 5.612 0 1 HKAF Fc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2c1Br 587085231 NVUONRJGGBRQLH-UHFFFAOYSA-N 403.642 5.242 0 1 HKAF Nc1ccc(Br)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587101381 GHTGPVTUAGJFGB-UHFFFAOYSA-N 401.263 5.458 0 1 HKAF Cc1cc(Br)c2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc2c1 587152004 JJFFRTKZYHRKKZ-LJQANCHMSA-N 410.290 5.974 0 1 HKAF Cc1c(Br)ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 587164889 YDJMJPUQXNDCSX-RVDMUPIBSA-N 413.315 6.423 0 1 HKAF COc1cccc(-c2cc(-c3cccc4oc(N)nc34)nc3c2oc2ccccc23)c1 587362325 HIEQMLHNZRUYSV-UHFFFAOYSA-N 407.429 6.047 0 1 HKAF COCOc1ccccc1[C@]1(c2ccccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587378856 RAPWZGKTMRPIPB-XMMPIXPASA-N 423.896 5.122 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1cc(Cl)cc(Cl)c1)[C@@H](C2)C3=O 587419795 LSNZZDGIBIZXNA-KKSFZXQISA-N 400.261 5.281 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c(Br)cc(Cl)cc31)CC2=O 587457937 DQPTYBADYAYNSR-FQEVSTJZSA-N 421.718 5.568 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC)(CCc1ccc(Br)cc1)CC2=O 587459868 ZHIOAODPERRYPM-JOCHJYFZSA-N 417.343 5.854 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cccc3cc(O)[nH]c13)CC2=O 587487098 UPWLPBMEIOXPFF-AREMUKBSSA-N 413.473 5.441 0 1 HKAF C[C@]1(c2cc(Br)c(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587507812 TWSDRUAAMQJMOZ-HXUWFJFHSA-N 407.254 5.487 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(CN2CCCCC2)cs1 587613602 OCAAKWMFSODXID-QPPBQGQZSA-N 421.518 5.143 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(O)cc2Cl)N1 587693163 MJJUSZWVUKOLJI-QZTNRIJFSA-N 405.094 5.224 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2C(F)(F)F)N1 587709496 ASWIFYTZHPSMGJ-BCTVWOGZSA-N 406.192 5.370 0 1 HKAF CC(C)[C@]1(CSc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587846305 QIDLEIDXQAOYCH-XOBRGWDASA-N 408.380 5.766 0 1 HKAF Oc1ccc(OCCCc2ccccc2)n1-c1cnc2cc(Br)ccc2c1 587942136 ZFMFIUAOYAOGPA-UHFFFAOYSA-N 423.310 5.505 0 1 HKAF C(=C\c1ccccc1Oc1ccccc1)\c1nc2ccc(Sc3ccccc3)cc2[nH]1 587951066 VSLSGRGHPSIPQT-SDXDJHTJSA-N 420.537 7.677 0 1 HKAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@]21CCC[C@H]1c1ccccc1Cl 962715136 SQHCIPFQMZZEQT-BVZALQNUSA-N 401.978 6.006 0 1 HKAF Cc1ccc([C@@]2(CCc3ccccc3C)NCCc3c(Cl)cc(Cl)cc32)c(C)c1 963103744 GNQWEOYMKDDMIC-AREMUKBSSA-N 424.415 6.941 0 1 HKAF Cc1c(Br)sc2sc([C@@H]3NCCc4c(C(=O)O)cccc43)c(C)c12 963131662 APQKVRMZLXRBIL-CQSZACIVSA-N 422.369 5.275 0 1 HKAF CC(C)(C[C@@H]1N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21)c1ccccc1 963178545 LPAXJFUUCVYQNB-ROUUACIJSA-N 411.851 5.367 0 1 HKAF COc1ccc(Cn2cc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)c2)cc1OC 1772587667 NWBDZJJRPCMJGR-UHFFFAOYSA-N 401.462 5.299 0 1 HKAF CC1=CC[C@]2(C)CC[C@H](C(C(=O)O)C(=O)O)[C@@H]2CC=C(C)[C@@H]2CC[C@@H](C)C2=CC1 2356325454 OVLRNGJHUUCIHT-JGWKEXPFSA-N 400.559 5.853 0 1 HKAF CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@]1(C)[C@@H]3CCc4cocc4[C@@]3(C)CC[C@@H]12 2356386698 SOCWJJCWFLDOKZ-GUHPPPLVSA-N 412.614 6.686 0 1 HKAF C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@@H]4CC[C@]3(C[C@H]1NCc1ccccc1)C2 36387881 RWRHJRIJKIVYFB-YCOOCPKKSA-N 409.614 6.032 0 3 HKAF C/C(=C\[C@H](O)C/C(C)=C/Cc1cc(O)cc(C)c1O)CC/C=C(\C)Cc1cc(C)co1 13430950 BWWUGYWTYAYXJO-JRIBNEFASA-N 424.581 6.463 0 1 HKAF Cc1c(CSc2ccccc2)oc2cccc(OCCCNCc3cccnc3)c12 13438487 XRLSTFAITYINFD-UHFFFAOYSA-N 418.562 5.987 0 1 HKAF O=C(Nc1nnc(Sc2nc3ccccc3s2)s1)c1ccc(Cl)cc1 13479495 FOQZKOFKPCBWCB-UHFFFAOYSA-N 404.929 5.205 0 1 HKAF CCCC[C@H](Cc1ccc(OC)c(OCCc2ccccc2)c1)N(CCC)CCC 13801139 NQVJONQLOGCPHQ-RUZDIDTESA-N 411.630 6.540 0 1 HKAF CCc1ccccc1-c1ccc(NCCC2CCN(Cc3ccccc3)CC2)nn1 13863633 WWEVJMOKJIHDBR-UHFFFAOYSA-N 400.570 5.420 0 1 HKAF COc1cc2c(c(OC)c1-c1c(C)cc3cccc(OC)c3c1O)[C@H](C)N(C)[C@@H](C)C2 14421124 BHQAJMGEYYHIGV-HOTGVXAUSA-N 421.537 5.484 0 1 HKAF biogenic Cc1cc(C)c(NC(=O)c2sc(NC(=O)OCc3ccccc3)nc2C)c(C)c1 14952050 ILACNLJWXIXYPV-UHFFFAOYSA-N 409.511 5.378 0 1 HKAF O=Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1ccc(-c2ccccc2)cc1 26573114 JPXBJBNHLNNRMA-QFIPXVFZSA-N 410.492 6.154 0 1 HKAF CCCc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc32)cn1 29547622 BINKAPHEZWXBGE-UHFFFAOYSA-N 422.916 5.778 0 1 HKAF c1ccc(CN[C@H]2C3C[C@@H]4CC[C@H](C3)N4[C@H]2C(c2ccccc2)c2ccccc2)cc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c1cccc(-c2ccc(/C=C/[C@@H]3[C@@H]4[C@@H](C)OC(=O)[C@@H]4C[C@@H]4CC(=O)CC[C@H]43)nc2)c1 40576050 ASXJKLDWVZKTMG-KATZQMBASA-N 415.533 5.253 0 1 HKAF Cc1c(CNC2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccn1 40892465 ZFJHTWJZEUHABA-UHFFFAOYSA-N 401.341 5.582 0 1 HKAF Cc1cc(O)c(C23CC4CC(CC(C4)C2)C3)cc1-c1ccc(/C=C/C(=O)O)cc1Cl 43014909 HZSNUNIQSKOBFH-HWKANZROSA-N 422.952 6.587 0 1 HKAF CC(=O)Nc1ccc(OC(=O)c2cccc(Nc3ccnc(C(F)(F)F)c3)c2)cc1 45364549 YEKHVXWOOFZKJV-UHFFFAOYSA-N 415.371 5.022 0 1 HKAF C[C@H](Oc1ccc2ncc(/C=C/C(=O)O)cc2c1)c1c(Cl)ccc(F)c1Cl 45372763 OTVUYUULIVACAN-FOKSMMDQSA-N 406.240 5.919 0 1 HKAF Cc1nccc2c3ccc(OCc4ccccc4)cc3n(CCCc3ccccc3)c12 49807966 MONYBZYATIRVHM-UHFFFAOYSA-N 406.529 6.710 0 1 HKAF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NCC3CCCCC3)nc2-c2ccccc2)C1 82133190 VLZSRCJSKDMTGV-OALUTQOASA-N 406.574 5.254 0 1 HKAF CCC(CC)c1ccc(Cl)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12 88366548 IOPWDZODVKYZNG-UHFFFAOYSA-N 406.357 6.844 0 1 HKAF Clc1ccc2c(NCc3nc(-c4ccccc4)c(CN4CCCC4)[nH]3)ccnc2c1 95560050 CPKPJROYDAYZNI-UHFFFAOYSA-N 417.944 5.486 0 1 HKAF COc1ccc([C@@](CC[C@@H](N)C(F)(F)F)(c2ccccc2)c2ccc(C)cc2)cc1 95582175 QHJRJXGAXVKUON-RPWUZVMVSA-N 413.483 6.008 0 1 HKAF COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccsc4)C3=C(O)C2)cc1 103940353 IRSNEXHJQIEMBX-XDHUDOTRSA-N 402.519 6.386 0 1 HKAF CC(C)COC(=O)NCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 141418500 KOCALMSGSXSQDC-UHFFFAOYSA-N 423.538 5.132 0 1 HKAF CC[C@@H](C#N)c1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(Cl)cc1Cl 142846516 XZXSOZFHHMLWTA-LBPRGKRZSA-N 419.743 6.555 0 1 HKAF c1ccc(-c2csc3ncnc(N4[C@H]5CC[C@H]4CC(CNC4CCC4)C5)c23)cc1 146567595 NYUKKWDMOALTEQ-PMACEKPBSA-N 404.583 5.248 0 1 HKAF CCCCCOc1ccc(C(=O)NCCc2ccc(O)cc2)cc1OCCCCC 146791869 UNICCORFNJWMAE-UHFFFAOYSA-N 413.558 5.503 0 1 HKAF Cc1cc(C)c2nc(Oc3ccc(Cl)cc3)cc([C@@H](O)C[C@H]3CCCCN3)c2c1 169334698 HMFTTZWNNVQUJV-GCJKJVERSA-N 410.945 5.863 0 1 HKAF CC1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C 238733764 ZSOVUTSCUNBTPJ-VQGOBZKSSA-N 410.730 9.054 0 1 HKAF O=C(N[C@H]1CC[C@H](CNc2ccccc2)CC1)c1cc(C(F)(F)F)ccc1Cl 261135380 LYGMVXMHRDGOJK-CZIWCDLHSA-N 410.867 5.760 0 1 HKAF Cc1cccc(-c2ccccc2)c1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586878974 NIAKTPKYRHORJJ-UHFFFAOYSA-N 402.803 6.757 0 1 HKAF O=C1c2ccccc2-c2cc([C@@H]3C[C@H]3c3c(F)cccc3Cl)nc3ccc(O)c1c23 586986944 RKXVQYIIYGCIKS-HUUCEWRRSA-N 415.851 6.215 0 1 HKAF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(F)cc4[nH]3)cs2)cc1 587014827 ZXOJTPCZMZTEAE-UHFFFAOYSA-N 424.501 5.763 0 1 HKAF Cc1c(Br)cc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c2c1C 587051174 PEYKUHLPGRJIBD-UHFFFAOYSA-N 420.738 5.857 0 1 HKAF CC(C)(C)c1cccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587073806 OVPODPWAOFJVKT-UZYVYHOESA-N 414.980 7.687 0 1 HKAF FC(F)(F)Sc1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2c1 587084047 STQUSPOWZHQCJL-UHFFFAOYSA-N 405.832 6.557 0 1 HKAF CCOc1ccc(-c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)cc1OCC 587098387 QYBISYNENHBCBV-UHFFFAOYSA-N 423.512 6.527 0 1 HKAF FC(F)(F)Sc1ccc(/C=C/c2nc3ccnc(Br)c3[nH]2)cc1 587123200 BZJHNJRPKAAART-ZZXKWVIFSA-N 400.223 5.503 0 1 HKAF CCS(=O)(=O)c1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1 587129377 XMDIDNHMVQRMQW-UHFFFAOYSA-N 419.478 5.085 0 1 HKAF Fc1ccc(/C=C(/c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c2cccs2)cc1 587164755 WINKPDZXQCTZAJ-LFIBNONCSA-N 404.445 5.677 0 1 HKAF O=C1CSc2sc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2N1 587207214 CUAHJMMLLVKARO-UHFFFAOYSA-N 400.484 5.219 0 1 HKAF C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@@H]1CCC2=O 587215095 BESTZFOULNKFHV-LBMFMOMYSA-N 413.561 5.055 0 1 HKAF Nc1ccc2c(c1)CCCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336405 NJGUECVKXDGOEH-ILBGXUMGSA-N 403.453 5.094 0 1 HKAF C[C@@]1(c2cc3cccc(F)c3o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340702 YVZKSEDSBYAAFS-QPPBQGQZSA-N 406.384 5.691 0 1 HKAF Cc1cc2c(cc1C)[C@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354226 ALSUUHBVCWEQPO-RSXGOPAZSA-N 418.464 5.575 0 1 HKAF CCCC[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356752 RDOAMQVISIHMHF-UKILVPOCSA-N 406.453 5.682 0 1 HKAF COC(=O)CCCC[C@@H](C)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587361770 ABVVXFSILJAQRH-QGZVFWFLSA-N 417.505 6.494 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC[C@@H]3c2ncccc2C)c1 587364609 YLMDNSNYVRWKIG-NRFANRHFSA-N 420.512 6.828 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1ccc3ccccc3c1)O2 587400891 UCHOZEMOEBRHJP-SANMLTNESA-N 409.485 6.016 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Oc1ccc(Cl)cc1Cl)CC2=O 587459148 CHOXEZZPZLJFAF-XUSGNXJCSA-N 409.309 5.843 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(Cl)ccc21 587463236 UDXQDMOOUDFFCL-RUZDIDTESA-N 418.876 5.452 0 1 HKAF CCCC[C@@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 587464641 VELGCKCMVHZZSG-QFIPXVFZSA-N 406.444 6.414 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)OC(C)(C)C)c1)CC2=O 587471619 URUPWTVQHWOMTL-XMMPIXPASA-N 411.498 5.572 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccccc3)c(C)c1)CC2=O 587483222 VXXMJPLKZCIGAI-VWLOTQADSA-N 402.490 5.939 0 1 HKAF Cc1nc(Nc2cccnc2)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587534763 FIMHCIYDTARAKQ-HSZRJFAPSA-N 405.523 5.350 0 1 HKAF CC1(C)C[C@@H]([C@@]2(Cc3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)CCO1 587536741 WDRIISGANNCIAB-KDYSTLNUSA-N 404.550 5.717 0 1 HKAF CCCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587593485 DSWMCKBOUJHYTH-RDGATRHJSA-N 420.461 5.283 0 1 HKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC1CC1 587596932 XIDGLHUCBMTCHL-RDGATRHJSA-N 402.446 5.192 0 1 HKAF Cc1cccc(C)c1-n1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587755293 ONSKWDLPLGIRKE-VFNWGFHPSA-N 413.334 5.619 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2N2CCCCCC2)N1 587764343 DPZUXNMPTPGKKC-IPHXSNPTSA-N 409.387 5.136 0 1 HKAF C[C@@H](c1ccccc1)N1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587766653 HAPHTGWHFMKIIE-CVEARBPZSA-N 417.366 5.175 0 1 HKAF Cc1onc(-c2ccccc2)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587790591 CUPYVMJDIRBUFE-GIPWTMENSA-N 401.279 5.175 0 1 HKAF CCOc1ccc(OCC)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587804412 ZGXDBHJKXUWLDC-ASSNKEHSSA-N 422.338 5.183 0 1 HKAF CC(C)c1ccc2c(c1)[C@@]1(CCCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587836072 RLAFJTREDLNXHS-FPTDNZKUSA-N 418.350 5.662 0 1 HKAF Cc1sc(N)c([C@@]2(C3CC3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587841308 ANJQOLCHSQFOCE-HOGDKLEQSA-N 409.368 5.037 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2Cc2cccs2)N1 587849511 AFSZIUVEJGHTSL-HXPMCKFVSA-N 405.336 5.123 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1C[C@H]1c1ccccc1 587859221 SSZDNMKDWKQDOA-JKSUJKDBSA-N 401.293 5.700 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1ccccc1C 587867023 PZRJJSSHQHUCMF-UHFFFAOYSA-N 405.445 5.521 0 1 HKAF CCCCOc1cc2nc(C[C@H](C)c3cccc(OC)c3)[nH]c2cc1Br 587929707 DAMNMVPGIFVBGT-AWEZNQCLSA-N 417.347 5.859 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c(C(C)(C)c3ccccc3C)nc2c1 587954748 FHWZZRUABMKUNH-UHFFFAOYSA-N 401.304 5.136 0 1 HKAF c1ccc(N2N=C(c3ccc4c(c3)OCCO4)C[C@@H]2c2cccc3ccccc23)cc1 653899348 DYEGFKOCCRLFCY-RUZDIDTESA-N 406.485 5.967 0 1 HKAF CN1C(=O)C[C@@H]2CN[C@](C)(c3ccc(-c4ccc(Cl)cc4)s3)c3cccc1c32 963018790 CNVSBSXLNMHZHR-CMJOXMDJSA-N 408.954 5.385 0 1 HKAF O=C(O)CCC[C@@]1(c2cc(F)cc(Cl)c2)c2c(F)cccc2C[C@H]2CCCN21 963104978 MIHHLLQWIZSFKB-XMSQKQJNSA-N 405.872 5.137 0 1 HKAF O[C@H](c1cccnc1-c1cc(Cl)cc(Cl)c1)[C@H](c1cccnc1)c1ccccn1 1772627635 ZDWRNJFIXZYBEH-FYYLOGMGSA-N 422.315 5.711 0 1 HKAF CCC1CCN(c2nc3ccccc3n2CCC(=O)N(CC)C2CCCCC2)CC1 1857579716 CTTSZFBDZRJLKM-UHFFFAOYSA-N 410.606 5.234 0 1 HKAF CC[C@@H](c1ccccc1)n1nnc2cnc3ccc(-c4c[nH]c5nccc-5c4)cc3c21 1857607924 CUTSGWPPVRMXNQ-QHCPKHFHSA-N 404.477 5.474 0 1 HKAF O=C1Nc2ccccc2C1=C(c1ccc(C(F)(F)F)cc1)c1nc2ccccc2[nH]1 1857624513 AUWQVEACXUQMAW-UHFFFAOYSA-N 405.379 5.493 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1ccc2c(=N)[nH][nH]c2c1 1857630799 XIWWBWKHTFXTLG-VFVKCCKNSA-N 405.586 5.383 0 1 HKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2[C@H](OC(C)=O)[C@](C)(OC)CC1 1857656712 QNQVIRAZQPCQEB-LADGPHEKSA-N 402.531 5.180 0 1 HKAF Cc1cc(C)c(Oc2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)c(C)c1 1857767839 GPDHVLCOTMFPBM-UHFFFAOYSA-N 407.493 5.462 0 1 HKAF CC(=O)O[C@@H]1CC[C@H](C)[C@@]23C[C@@H](C[C@H](OCC=Cc4ccccc4)[C@@]12C)C(C)(C)O3 2356336636 MJGSNPALXVHNAT-WNBDLXIYSA-N 412.570 5.411 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@]1(C)CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356412665 XIGODNYMZQPETQ-WQYSNDRRSA-N 410.686 7.721 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H](CC[C@]21C)O3 2356479907 IKUYBMRKMWNUMR-QNCSKKARSA-N 414.674 7.137 0 1 HKAF CC(C)=C[C@H](C)CC=CCc1c(C)cc2c(c1O)C(=O)[C@@H](c1ccc(O)cc1O)CO2 2356519494 DTOHKGTXVWEZIA-IIBYNOLFSA-N 422.521 5.562 0 1 HKAF CC(C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@](C)([C@@H]4CC[C@H](O)C(C)(C)[C@@H]4C)[C@H](C)[C@]3(C)CC[C@]12C 2356577343 BICHKMMUIQBJJU-CEOJFULPSA-N 416.734 7.961 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CCC2=C3[C@@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 2356623082 AVFWODJEHWOSGS-KKJZRXOESA-N 400.647 6.280 0 1 HKAF CC=C(C)[C@@H](O)[C@@H](C)C=C(C)C=CCC(C)=CCc1oc(OC)c(CC)c(=O)c1C 2356652632 KARZXNDNDLSNJC-GBXCKJPGSA-N 414.586 5.864 0 1 HKAF CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(C(C)C)cc1 775085 AOZNGUNRNPMBEZ-IERDGZPVSA-N 424.516 5.408 0 1 HKAF CCOC(=O)CCCCCCCC[C@H](C)c1cccc(I)c1 3830952 QEDKWPVYINBWKH-INIZCTEOSA-N 416.343 6.079 0 1 HKAF CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F 4055539 SRCFPCRJEMXGOS-MJGOQNOKSA-N 409.288 5.141 0 1 HKAF CC[C@@H](/C=C/[C@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 13548882 JZVFJDZBLUFKCA-DUSTWDSMSA-N 412.702 7.801 0 1 HKAF CCCCC(=O)Nc1cccnc1NCc1ccc(-c2ccccc2C(=O)OC)cc1 13586353 JILRJPMFUBNRBH-UHFFFAOYSA-N 417.509 5.276 0 1 HKAF CC(C)=CCc1cc([C@H]2CC(=O)c3c(O)cc4c(c3O2)C=CC(C)(C)O4)ccc1O 15205876 HLKHOVQEAJNZDM-OAQYLSRUSA-N 406.478 5.497 0 1 HKAF biogenic O=C(Nc1ccc2nc(NC(=O)C3CCC3)sc2c1)c1c(Cl)cccc1Cl 28456933 ZYIUWJMDOICPFK-UHFFFAOYSA-N 420.321 5.594 0 1 HKAF c1ccc2[nH]c(CCCCCCCCCCCCc3nc4ccccc4[nH]3)nc2c1 28865549 AFAYRKIJWUZNII-UHFFFAOYSA-N 402.586 7.125 0 1 HKAF CN(C)CC[C@@H](Oc1ccc(F)cc1)c1ccc(OCCCN2CCCCC2)cc1 28892911 QSUBPHSKNHPROP-RUZDIDTESA-N 414.565 5.152 0 1 HKAF COc1ccc([C@@H](c2cccs2)c2ccccc2OCCN2CCCCCC2)cc1 29130838 GIUPKOKZLGXOJH-AREMUKBSSA-N 421.606 6.192 0 1 HKAF C[C@H]1[C@H]2Cc3ccc(SC(=O)C(C)(C)C)cc3[C@]1(C)CCN2CCc1ccccc1 29400162 KOCJHEMKNBDMDI-MQMJORGGSA-N 421.650 6.118 0 1 HKAF CC(C)[C@@H]1CCN=C1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](N)CC=C4CC3=CC[C@@]21C 34430864 MDFXXDNRJSIVTL-GDRCSSHTSA-N 420.685 6.876 0 1 HKAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ccncc2[nH]1)C1CCCC1 34630055 QHOJOECNCQYKGI-VWLOTQADSA-N 410.533 5.542 0 1 HKAF C[C@@H](C(=O)OC/C=C/c1ccccc1)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 40499268 XWEWIPKKCFHQRD-BHMZGFDSSA-N 420.574 6.142 0 1 HKAF COc1ccc(C(=O)c2ccccc2)c(Oc2ccnc3cc(OC)c(OC)cc23)c1 40940219 LFKMHOUNFWFTTF-UHFFFAOYSA-N 415.445 5.284 0 1 HKAF O=C1C[C@H](C(F)(F)F)Cc2nc3c(Br)cc(Br)cc3cc21 45497762 FULABHNTLGHPON-SSDOTTSWSA-N 423.026 5.067 0 1 HKAF Nc1ncc(-c2cccnc2)c2scc(-c3cccc(NC(=O)c4ccccc4)c3)c12 60326987 VWJFPTLWJMRYOZ-UHFFFAOYSA-N 422.513 5.860 0 1 HKAF Cc1ccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3ccc(F)cc3)n2)o1 82164094 PPWKKVVNOMUIGU-UHFFFAOYSA-N 416.481 6.073 0 1 HKAF Fc1ccc(-c2nc(NC[C@@H]3CCCO3)ncc2-c2nc3ccccc3s2)cc1 82164434 ZVVHEPYEMVWHKT-INIZCTEOSA-N 406.486 5.150 0 1 HKAF Cc1ccccc1-c1nc(NC[C@H]2CCCO2)ncc1-c1nc2ccccc2s1 82177377 FGVQGLFWOMSTGY-MRXNPFEDSA-N 402.523 5.320 0 1 HKAF CCOP(=O)(OCC)[C@H](Cc1cccc(OC)c1)c1sc2ccccc2c1C 84635471 PGDONWXUSQVACW-HXUWFJFHSA-N 418.495 6.768 0 1 HKAF CC[C@H](C)CC[C@@H](CC[C@@H](C)CCC[C@@H](C)CCCC(C)C)[C@@H](C)CCCC(C)C 102191838 ZYUQNRLZGGWDML-IIZANFQQSA-N 422.826 10.940 0 1 HKAF CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccccc2)C2=C(O)CCCC2=N1 104689723 UXXMMINZQZDYPH-NRFANRHFSA-N 415.518 5.743 0 1 HKAF C[C@@H](c1ccc(OC(F)F)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O 114923233 CYYKKTDEADDOKC-HJPURHCSSA-N 419.468 5.248 0 1 HKAF C[C@H]1CCC[C@@H](C)N1Cc1cc2c(N)nc(-c3ccc(Br)o3)nc2s1 118589319 XMOFKJPRCUCULG-PHIMTYICSA-N 421.364 5.059 0 1 HKAF CC(C)C[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 119290123 FHSVMYDBGPVTTJ-ZYHYDSQVSA-N 420.678 5.410 0 1 HKAF in-man COc1ccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)cc1Cl 143074446 VGDSJGFEMAXXAB-UHFFFAOYSA-N 400.869 6.184 0 1 HKAF Cc1cc(C)c(CNC(=O)c2c(C)n([C@@H](C)c3ccccc3)c3ccccc23)c(O)n1 148358936 UVKHXUWVSLZMMY-SFHVURJKSA-N 413.521 5.206 0 1 HKAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCC[C@@H](c2ccc(C(F)(F)F)cc2)C1 169704882 AVTYVUMSPWLWRY-GDBMZVCRSA-N 402.420 5.430 0 1 HKAF CC(=O)OCc1c(-c2ccccc2)oc2ccc(NC(=O)C3CCCCC3)cc2c1=O 299868495 RNWMXZBCCYKSTQ-UHFFFAOYSA-N 419.477 5.042 0 1 HKAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)cc(Br)c2[nH]1 586962687 GQIUKPZPXQGSBN-LLVKDONJSA-N 413.728 5.026 0 1 HKAF Clc1ccccc1-c1cc(-c2nc3ccc4c(c3[nH]2)CCCC4)c2ccccc2n1 587061003 YWIDKEOONRCJPJ-UHFFFAOYSA-N 409.920 6.977 0 1 HKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587069964 NCAOCLHVEUEKHH-VIFPVBQESA-N 417.214 6.145 0 1 HKAF O=C1CCc2cc3nc(-c4cncc(-c5cc(Cl)cc(Cl)c5)c4)[nH]c3cc2N1 587070178 FLUFZYGVVJZCLM-UHFFFAOYSA-N 409.276 5.483 0 1 HKAF Cc1cc(C)c2c(N)c(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)oc2n1 587097879 LJVXUGOQLQZMOO-UHFFFAOYSA-N 405.457 5.762 0 1 HKAF O=C1c2ccccc2-c2cc(-c3c(O)cccc3Br)nc3cccc1c23 587102802 YPTZLZLVLHXSHH-UHFFFAOYSA-N 402.247 5.581 0 1 HKAF CSc1ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c1 587183993 NBKIGMWYLARWIG-UHFFFAOYSA-N 400.672 5.210 0 1 HKAF Oc1ccc(Nc2cccc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c2)cc1 587242433 STKANEVGKPPGDR-UHFFFAOYSA-N 414.690 6.095 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCOc3ccc(F)cc32)[C@@H]1c1ccc(F)cc1 587329630 DBONYKXGBVICGW-ISKFKSNPSA-N 408.400 5.097 0 1 HKAF CCCC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332920 KIUOAZJQERHWER-NOZRDPDXSA-N 408.444 6.115 0 1 HKAF COc1ccc2c(c1)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350069 JUIRCGCDJUPSIT-ZCYQVOJMSA-N 404.437 5.131 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(Sc3ccccc3)nc1Cl)O2 587414238 RWWWDTIPZKUAGP-HNNXBMFYSA-N 402.928 5.545 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(Cl)ccc1N)CC2=O 587459975 FIFAXCNAFXIHQD-DEOSSOPVSA-N 407.897 5.489 0 1 HKAF CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)cc1O 587498475 HPTUHOXJXUJTAA-LJQANCHMSA-N 417.299 5.139 0 1 HKAF C[C@]1(c2c[nH]c3c(Br)cccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587500900 YUIGTGSYWWRNAG-JOCHJYFZSA-N 410.311 5.690 0 1 HKAF O=C1C[C@](CCc2ccccc2Cl)(c2ccccc2)Oc2c1ccc1c2CCCC1 587502746 DVYDLPWHZLDUAM-HHHXNRCGSA-N 416.948 6.712 0 1 HKAF Cc1cc(C)cc(OCc2nc3c(Br)ccc(Br)c3[nH]2)c1 587564927 PZIRLDPMEFWRML-UHFFFAOYSA-N 410.109 5.284 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1OCC1CC1 587574120 ZASMXSBUYDMPGJ-XUZZJYLKSA-N 406.409 5.023 0 1 HKAF CC[C@H](C)Oc1c(OC)cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595450 OCADQFVFRJAKTR-HHCYOLOASA-N 420.461 5.281 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC2CCCC2)cc1O 587601624 UJKYTELTPDEMGB-RDGATRHJSA-N 418.445 5.122 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@H]1C[C@@H]2C=C[C@H]1C2 587602882 LNJOSQBMMGNXLV-IGYYWJKJSA-N 410.469 5.462 0 1 HKAF O=C(c1sc2cc(Cl)ccc2c1Cl)n1ncc2ccc(Cl)cc2c1=O 587653475 HZWOPJLRTPANHG-UHFFFAOYSA-N 409.681 5.260 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2C(F)(F)F)N1 587713577 SRHXOFHMYMZSJM-BCTVWOGZSA-N 422.647 5.884 0 1 HKAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)c1 587713636 TYRMVUMOFOZFTD-XLFHBGCDSA-N 418.228 5.239 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCSc3cc(F)c(F)cc32)N1 587736374 VTURGKYSFMMIHP-NIVTXAMTSA-N 414.290 5.140 0 1 HKAF COc1ccccc1[C@@]1(C2CCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587810494 XPLDYBHSHIJXGO-RCDICMHDSA-N 418.350 5.565 0 1 HKAF CC(C)=CCC/C(C)=C\CC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587810970 FHIMRZQFRRNVQG-FBZIKSMQSA-N 408.399 6.811 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)C(c1ccccc1)=C2c1ccccc1 587824580 XNWZTZLKGQQTIZ-OAHLLOKOSA-N 420.325 5.942 0 1 HKAF COc1cc(C(C)=O)c(OC)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 587941011 LVUPXNUBWALGBX-UHFFFAOYSA-N 417.503 5.964 0 1 HKAF O=c1cc(-c2ccccc2)oc2cc(OCCCCCCCCN3CCCC3)ccc12 653779470 RHHOCRDIDRFKJT-UHFFFAOYSA-N 419.565 6.275 0 1 HKAF CC[C@@H](Cc1ccc(C(=O)NCc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O 653805845 UBDKILMGVHORMH-FQEVSTJZSA-N 403.478 5.062 0 1 HKAF CNc1nc(SCC(=O)c2cccc(OC)c2)nc2sc3c(c12)[C@H](C)CCC3 958066016 QLAOZBRRRHCIKY-GFCCVEGCSA-N 413.568 5.156 0 1 HKAF CN1C(=O)C[C@@H]2CN[C@@](Cc3ccc(F)cc3)(c3ccc(Cl)cc3)c3cccc1c32 963030434 NSNWOZAIQIWQLT-NSYGIPOTSA-N 420.915 5.019 0 1 HKAF CCCCCC[C@@]1(c2ccc(OC)cc2)NCCc2cc3cccc(OC)c3nc21 963052688 GFKMMTCWUNCKLD-SANMLTNESA-N 404.554 5.612 0 1 HKAF CC(C)(C)OC(=O)N1CCCc2ccc([C@@H]3c4ccc(F)cc4C[C@@H]4CCCN43)nc21 963103511 LMCJIHNVOWKRFU-UGKGYDQZSA-N 423.532 5.018 0 1 HKAF COc1ccc2c(CN3CCC(F)(F)[C@H](CCc4ccc(F)cc4)C3)c[nH]c2c1 1772592547 LHLZNQMVMHRVLL-GOSISDBHSA-N 402.460 5.406 0 1 HKAF O=C(Nc1nc(C(F)(F)F)ccc1-c1nnc(-c2ccccc2)o1)c1ccccc1 1772641375 XBXKIPVUKVTJGJ-UHFFFAOYSA-N 410.355 5.070 0 1 HKAF Cc1nnc2n1-c1ccc(-c3cncs3)cc1[C@@H](Nc1ccc(Cl)cc1)CC2 1857568025 BTXIGXUAENIVOL-SFHVURJKSA-N 407.930 5.452 0 1 HKAF C=[S@](NC(=O)Nc1ccc(Cl)cc1)c1sc(Cl)c2c1C(=O)CCC2 1857610883 MWIFMLTVWVAUKV-DEOSSOPVSA-N 401.340 5.370 0 1 HKAF Cc1nc2ccccc2c(-c2ccc(C(F)(F)F)cc2)c1[C@@H](OC(C)(C)C)C(=O)O 1857649900 CGPRMCRUNRKBNJ-HXUWFJFHSA-N 417.427 6.170 0 1 HKAF CC(C)=C1CCN[C@@H]1C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](N)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356337097 VJHRMJFJZGQHMU-YEQZBXDJSA-N 424.717 6.617 0 1 HKAF C[C@@H]1CC=C[C@]2(CCC[C@H]3[C@@H]2CCC[C@@H]3Cc2cc(O)cc(Cc3ccccc3)c2)C1 2356372222 AFAPWEJYWCQFHU-OIJBRXIRSA-N 414.633 7.714 0 1 HKAF CC1(C)C(=O)CC[C@]2(C)[C@@H]3CC[C@H]4[C@H]5CCC(=O)C(C)(C)[C@@H]5CC[C@]4(C)CC3=CC[C@H]12 2356405905 HYPYJVALUQPMIH-CKUZVUSHSA-N 424.669 7.166 0 1 HKAF CCCCC[C@H](CO)c1cc(O)cc(C[C@@H]2CCC[C@H]([C@@]3(C)C=CC[C@H](C)C3)C2)c1 2356498157 KRNHLAGJQXRKBU-DBMPTHOCSA-N 412.658 7.390 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356598484 RGTQAAUWMDYDPJ-YNZTXCSSSA-N 412.702 7.657 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@H]1[C@H](C)C[C@@H]1[C@H]2CC=C2C[C@H](O)CC[C@@]21C)C(C)C 2356621978 XEEOCMDRLJGHAY-KJOSXULQSA-N 414.718 7.881 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4C[C@H](O)CC[C@@H]4[C@H]3CC[C@]12C)C(C)C 2356678629 NJKOMDUNNDKEAI-IIANWIMBSA-N 414.718 8.025 0 1 HKAF CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(C(C)C)cc1 773499 BJTXGVLNWSLQDW-IERDGZPVSA-N 424.516 5.408 0 1 HKAF CCCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1c(F)cccc1Cl 2484788 TYIZVVCUHJAKCT-UHFFFAOYSA-N 402.853 5.340 0 1 HKAF C[C@@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1)c1ccc(F)cc1 4055863 BYRLNCJUPBCBAW-AECOYVPUSA-N 422.887 5.448 0 1 HKAF CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NC[C@H](O)CC 4212294 FQQMFHBOKYNGIK-PZUNEJSGSA-N 422.569 5.255 0 1 HKAF SC1=Nc2ccccc2-c2nc(-c3cccc(Cl)c3)cc(-c3ccccc3)c2C1 5593739 JKBPDRHLIWKTFH-UHFFFAOYSA-N 412.945 7.252 0 1 HKAF CC(C)=CCC[C@@H](C)CCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 13560475 CKGWUXLDAKJOPO-WGSOPFKKSA-N 418.622 5.350 0 1 HKAF O=C(OCCN1CCC(c2ccccc2)CC1)C1(c2ccc(Cl)cc2)CCCC1 13737401 FPCDRMYSEMXENI-UHFFFAOYSA-N 411.973 5.575 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CNC[C@H](C)CC/C=C(\C)CCC=C(C)C 13827377 FJTBCGHISSWGME-IGIDIPCTSA-N 413.734 9.104 0 1 HKAF CCc1cc2cc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)ccc2cn1 14962585 KISYDVRODSVDKM-QHCPKHFHSA-N 422.532 5.289 0 1 HKAF CC(C)=CCc1c2c(c(O)c3c1O[C@@H](c1cc(O)cc(O)c1)CC3=O)C=CC(C)(C)O2 15203280 AORPIEJDBDRJNG-HXUWFJFHSA-N 422.477 5.203 0 1 HKAF biogenic C[C@H]1C[C@H](N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 27098753 VGFZCFWVSYIXEK-DFBJGRDBSA-N 410.517 5.610 0 1 HKAF CCOc1ccc2nc(/C=C/[C@@H]3[C@@H]4[C@@H](C)OC(=O)[C@@H]4C[C@@H]4CCCC[C@H]43)ccc2c1 28571650 MCHAMPNGDHQHSP-QLOHWBPLSA-N 405.538 5.651 0 1 HKAF C[C@@H]1CN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)C[C@@H](C)O1 28821648 VSXXARZLBDXALT-HZPDHXFCSA-N 422.516 5.807 0 1 HKAF CC(C)(C)c1ccc(Cn2cc(CC(N)=O)c3cc(-c4cccc(F)c4)ccc32)cc1 28888195 IVTGBANIFNSWMD-UHFFFAOYSA-N 414.524 5.821 0 1 HKAF COc1c(OC)c(OC(=O)C(C)(C)C)c2c(Cl)cccc2c1OC(=O)C(C)(C)C 29318820 FMFAUQXOUHBTQH-UHFFFAOYSA-N 422.905 5.413 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34203006 CGIQOEIJAPKYHG-OGONVDTFSA-N 418.662 5.474 0 1 HKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCc1ccc(O)cc1 38146564 YSOGPKZWDUJRGP-MLFLMRJSSA-N 409.614 7.154 0 1 HKAF O=C(Cc1ccccc1)NC(=S)Nc1ccc(Oc2ccnc3ccsc23)cc1 38268756 CCLISUOXZPWRGF-UHFFFAOYSA-N 419.531 5.144 0 1 HKAF CSc1ccc(Cc2nnc3sc(-c4ccc(-c5ccc(C)cc5)o4)nn23)cc1 40949663 CZSDKGRZJSCHIC-UHFFFAOYSA-N 418.547 5.734 0 1 HKAF CC1=Nc2ccc(-c3ccsc3)cc2[C@@H](c2ccccc2)N1CCN1CCCCC1 72123048 ZEQUNNMLKORYCR-AREMUKBSSA-N 415.606 6.356 0 1 HKAF Cc1oc(-c2cnc(NCc3ccccc3)nc2-c2ccccc2)nc1-c1ccccc1 82163254 SGODSVSRQVVHOW-UHFFFAOYSA-N 418.500 6.386 0 1 HKAF Cc1ccccc1-c1nc(N2CCOCC2)ncc1-c1ncc(-c2ccccc2)s1 82177419 HXNKLOKGIOMNKW-UHFFFAOYSA-N 414.534 5.079 0 1 HKAF CCC(CC)c1nc2c(NCc3cccc(Cl)c3)ncnc2n1C[C@@H]1CCCO1 82181374 KIJVELZNXSTVBQ-SFHVURJKSA-N 413.953 5.174 0 1 HKAF Fc1ccc(-c2nnc(CCCCc3ccc4cccnc4n3)o2)cc1C(F)(F)F 95572388 BHPYUJJYTNVKNQ-UHFFFAOYSA-N 416.378 5.403 0 1 HKAF O[C@@H](CNc1cc(-c2ccc(C(F)(F)F)c(Cl)c2)ncn1)c1cccc(F)c1 103261219 HVNPAPLTAKSZEE-KRWDZBQOSA-N 411.786 5.100 0 1 HKAF C[C@H](COc1ccc2sc3ccc(OC[C@@H](C)CN(C)C)cc3c2c1)CN(C)C 169329228 BWDRDNWSMDGTGE-ROUUACIJSA-N 414.615 5.208 0 1 HKAF CC[C@@H](C)NC[C@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 169335659 XWIOBZKKWWYXIG-CMJOXMDJSA-N 415.364 6.144 0 1 HKAF O=C1Nc2ccccc2[C@@]12N[C@@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]21CCCCC1=O 169342273 OYVPINFOQJXIJW-JWNHKAHSSA-N 422.528 5.092 0 1 HKAF C[C@@H](O)CCCCCCCCCCCCCCCc1cc(O)cc(O)c1C(=O)O 238755513 LKHNOUWMCZTMRP-LJQANCHMSA-N 408.579 6.181 0 1 HKAF C[C@@H](C/C=C/C(C)(C)O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 255203234 CRBBVTAXSNJDMS-XIBXYGTGSA-N 400.647 6.280 0 1 HKAF Oc1ccc(-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)c(O)c3)no2)cc1 473153549 BQUIPGLXQCWPFC-UHFFFAOYSA-N 414.339 5.626 0 1 HKAF FC(F)(F)Oc1cc(Br)cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c12 586888087 WFTGLNFCQLNZBG-FZKQIMNGSA-N 423.232 5.596 0 1 HKAF COc1cc(OC)c2[nH]c(COc3ccc4ccccc4c3Br)nc2c1 587001818 QVQUCAXURBDDGN-UHFFFAOYSA-N 413.271 5.075 0 1 HKAF Cc1cc2c(Br)ccc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c2o1 587003521 KNUVVAGDHQHKAB-UHFFFAOYSA-N 411.177 5.946 0 1 HKAF CCc1ccc(-c2nc(-c3nc4ccc(Br)c(F)c4[nH]3)cs2)cc1 587016022 NMXQRCAABARNAM-UHFFFAOYSA-N 402.292 5.817 0 1 HKAF COc1cc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1C 587072802 XKUFATACZJVXQA-FDKTVHGPSA-N 401.337 6.553 0 1 HKAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587114064 QVNCJHPISNIFQT-SFHVURJKSA-N 409.411 5.055 0 1 HKAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(C)nc(C)cc4[nH]3)nc2n1 587114821 JBRNRKUQIPYNJM-UHFFFAOYSA-N 420.464 5.041 0 1 HKAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(Br)cc2[nH]1 587122131 RHLRDYPTFAERRW-UHFFFAOYSA-N 422.204 5.748 0 1 HKAF Cc1ccc(/C=C/c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1F 587146330 IOKHMSPDGNHCAH-SNAWJCMRSA-N 415.184 5.842 0 1 HKAF CCCCC/C=C/C/C=C/CCCCCCCC(=O)c1coc2ccc(Cl)cc12 587276725 SLGXREARJQHLQJ-AVQMFFATSA-N 415.017 9.082 0 1 HKAF CCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F 587329841 FOVXFNKKONUKRO-VWNXMTODSA-N 410.416 5.343 0 1 HKAF COC(=O)c1cc(-c2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Cl 587372732 AHMJLKGSFDHQDC-QFIPXVFZSA-N 421.880 5.391 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(COc4cc(C)c(Cl)c(C)c4)o1)[C@@H](C2)C3=O 587420314 IBEZZZKUCLZKTO-UUOWRZLLSA-N 424.880 5.626 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1c(Cl)cc(C(F)(F)F)cc1Cl)[C@@H](C2)C3=O 587422193 SDWMMORQAQARNW-VOJFVSQTSA-N 417.210 5.684 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCCC(=O)O)(c1ccc(Cl)s1)CC2=O 587492017 ABDZXHBNLBLZBR-FQEVSTJZSA-N 408.903 5.175 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc3ccc(Br)cc3s1)CC2=O 587493285 DFNJWYNDKIYNTC-KRWDZBQOSA-N 417.324 6.028 0 1 HKAF C[C@@]1(c2ccnc3cc(Br)ccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587497727 MENFXKFHVIHGJZ-QHCPKHFHSA-N 422.322 5.757 0 1 HKAF CC1(C)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 587500407 WPSMRKYHBIAVTE-QHCPKHFHSA-N 411.339 5.870 0 1 HKAF Nc1ccc(Cl)cc1[C@@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587500523 CUBGCFQRVYQQJQ-VWLOTQADSA-N 421.899 5.849 0 1 HKAF CCOC(=O)c1[nH]c2ccc(C)cc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521201 ANKRZWJNMGNPJP-OAQYLSRUSA-N 403.478 5.238 0 1 HKAF C[C@]1(Cc2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547038 RZTASFXTWKBMAF-DENIHFKCSA-N 415.272 5.662 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(SC(F)(F)F)c1 587556981 PRGCRQSHVDYWJV-PXNSSMCTSA-N 418.392 5.707 0 1 HKAF Cc1cc(C)cc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587580462 XZDZCTAUQXXUAR-JYFHCDHNSA-N 411.457 5.503 0 1 HKAF Cc1ccc(C)c(-c2n[nH]cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587592313 XZGXPYQOQQPDQP-OFVILXPXSA-N 412.445 5.102 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CC1CCCC1)c1ccccc1 587604375 WCEZCLAHNCLSTO-BVAGGSTKSA-N 400.474 5.830 0 1 HKAF Cc1c(-c2ccc(F)c(Br)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587622156 BNZLHAXTVOMVKI-UHFFFAOYSA-N 423.083 5.684 0 1 HKAF Cc1ccc(-c2[nH]c3cccc(F)c3c2[C@@H](C(=O)O)c2cn(C)c3ccccc23)cc1 587635504 JAYILJLNHXHDBE-QFIPXVFZSA-N 412.464 5.991 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(Br)c2)N1 587679298 MVXODKDQBAHQKS-BTDLBPIBSA-N 413.128 5.148 0 1 HKAF Cc1cc2c(c(C)c1Cl)[C@@]1(CCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587700033 UGIAOEGDMWHRNV-GIPWTMENSA-N 424.741 5.419 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c2)cc1O 587785504 AWDNMLOUTWOZAM-UHFFFAOYSA-N 402.347 5.769 0 1 HKAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)(C)C 587807007 LGIXMHAUDTXTBQ-FKIZINRSSA-N 406.339 5.518 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2Cc2cccs2)N1 587849509 AFSZIUVEJGHTSL-BUXKBTBVSA-N 405.336 5.123 0 1 HKAF COc1ccccc1-c1ccc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)cc1 587930111 CSTGWTMJHPVKIJ-UHFFFAOYSA-N 406.485 6.485 0 1 HKAF FC(F)(F)c1nc(Cl)[nH]c2nc([C@H](Cc3ccccc3)c3ccccc3)nc1-2 587954813 CLYYTFFXXSTXPR-CQSZACIVSA-N 402.807 5.351 0 1 HKAF CCOC(=O)Cc1ccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2c1 587957876 YROSYLQSNIRCBX-UHFFFAOYSA-N 416.562 5.587 0 1 HKAF c1ccc(-c2ccc(-c3csc(Nc4ccc(-c5cnco5)cc4)n3)s2)nc1 621429221 GCEKPOPKSYHZNU-UHFFFAOYSA-N 402.504 6.332 0 1 HKAF C[C@H](Oc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1)c1c(Cl)cncc1Cl 653829573 YGIBFXGLELLTGI-LBPRGKRZSA-N 423.303 6.553 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(C)C[C@@H]1CCCCC1=O 961773090 DDKDPUBFEDXEDK-BVZFJXPGSA-N 412.574 5.203 0 1 HKAF CCO[C@@H]1C[C@@]2(NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)C12CCCCC2 962959876 RBUYHGBBUIQEFZ-OFNKIYASSA-N 423.519 5.311 0 1 HKAF O=C(C[C@]1(c2ccc(Cl)cc2)c2ccc(F)cc2C[C@@H]2CCCN21)C(F)(F)F 963096177 CSMPMFLUEKGPGO-PXNSSMCTSA-N 411.826 5.265 0 1 HKAF Fc1cccc2c1[C@H](c1cccnc1Sc1ccc(Cl)cc1)N1CCC[C@@H]1C2 963119907 ZYUFWXPYEPLWIJ-VGSWGCGISA-N 410.945 6.135 0 1 HKAF COc1ccc(C[C@@]2(c3ccccc3)c3cccc(Br)c3CCN2C)cc1 963290466 WHNHMRBBTDRGMY-XMMPIXPASA-N 422.366 5.432 0 1 HKAF O=C(O)c1ccc(-n2nc(Oc3c(Cl)cccc3Cl)c3ccccc32)nc1 1772629296 ZZAKBDOXLHVGIO-UHFFFAOYSA-N 400.221 5.218 0 1 HKAF COc1cccc(CC[C@@H]2CN(Cc3c[nH]c4cc(F)ccc34)CCC2(F)F)c1 1772630452 TUIZDOPIRCAJJS-GOSISDBHSA-N 402.460 5.406 0 1 HKAF C=C/C(C)=C/C[C@H]1[C@](C)(O)[C@@H](O)[C@H](OC(=O)CC(C)C)[C@H]2C(C)(C)CCC[C@@]21C 1857562774 BYXKCUNILXWRRZ-SSABYBKASA-N 406.607 5.041 0 1 HKAF CC[C@H](C)[C@H](NC(=O)[C@]1(C)CCC[C@@H]2[C@H]3CCC(C(C)C)=CC3=CC[C@H]21)C(=O)OC 1857575762 VSCOYGHZRMTWSQ-RTDPPQJXSA-N 415.618 5.435 0 1 HKAF O[C@@H](c1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn12)[C@H]1CCCN1 1857653596 IEYYQDNXXXURNS-HYBUGGRVSA-N 403.913 5.107 0 1 HKAF CC(C)C[C@@H](C)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 1911586531 DEIOTHKQAGSPIY-QVKFZJNVSA-N 401.348 5.227 0 1 HKAF CCC=C(CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356312769 JVGGULCNHGBDGL-VOKGGTNFSA-N 424.713 8.255 0 1 HKAF CC(=O)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@@H]3CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC[C@]21C 2356416881 IRDLMDPZMBOLNU-UMAQLVIXSA-N 412.702 8.067 0 1 HKAF CC(=CCN1[CH]N(C)c2ncnc(N)c21)CCC=C(C)CC[C@]1(C)C(C)=CCC[C@H]1C 2356553523 DESWYACBQCTSJT-ATIYNZHBSA-N 422.641 6.270 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356580746 XPRWWANUPMYKMF-NMIZKBFBSA-N 410.686 7.865 0 1 HKAF CC=C[C@H](O)[C@@H](C)C=C(C)C=CCC(C)=CCc1nc(OC)c(OC)c(O)c1C 2356807168 WFEFGXNOSOLREF-RXVVDRJESA-N 401.547 5.067 0 1 HKAF Cc1cccc(C(=O)Nc2cccc(NC(=O)c3ccccc3OC(F)(F)F)c2)c1 169340151 PKFCOUBPBLEJMZ-UHFFFAOYSA-N 414.383 5.398 0 3 HKAF CCC[C@H](C)c1oc(=O)c(Cc2c(O)c(C)c([C@@H](C)CCC)oc2=O)c(O)c1C 198656604 ZHBMRQNOQDAERK-STQMWFEESA-N 404.503 5.019 0 3 HKAF Brc1ccccc1Nc1nc2ccccc2n2cnc(-c3ccccc3)c12 13441500 XJCMMZYMBZZOLO-UHFFFAOYSA-N 415.294 6.056 0 1 HKAF O=C(Nc1nnc(SCc2nc3ccccc3s2)s1)c1ccc(Cl)cc1 13479508 FGHYDVABQZJIHA-UHFFFAOYSA-N 418.956 5.346 0 1 HKAF CC(C)c1cccc(C(C)C)c1OC(=O)NS(=O)(=O)N(C(C)C)C1CCCCC1 13747454 KVFTWSSXZKHJOP-UHFFFAOYSA-N 424.607 5.310 0 1 HKAF O=C(Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12)Nc1ccccc1Br 13833109 MGTXNVCKRLVJSO-UHFFFAOYSA-N 423.285 5.918 0 1 HKAF CC(C)(C)c1ccc([C@H](NC(=O)Nc2cccc3cnccc23)c2ccccc2)cc1 14973650 DEWCFRDHQWMXET-RUZDIDTESA-N 409.533 6.443 0 1 HKAF CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1cccc2ccccc12 26576126 PBFXQUMNZKLSSU-UHFFFAOYSA-N 423.438 5.342 0 1 HKAF COc1ccc(SC(=O)C(C)(C)C)c(NC(=O)C2(CCC(C)C)CCCCC2)c1 26577762 ULANKOWCPOKYKM-UHFFFAOYSA-N 419.631 6.685 0 1 HKAF Cc1ccc2c(c1Br)N[C@@H]1[C@H]2CCN[C@@H]1Cc1cccc2ccccc12 26674441 UCLCHOONYIGMMV-TUNNFDKTSA-N 407.355 5.393 0 1 HKAF O=c1[nH]c(SCCCCCCCCc2ccccc2)ncc1Cc1cccnc1 27312371 ASRVMSPZPXPLNR-UHFFFAOYSA-N 407.583 5.431 0 1 HKAF CO[C@@H](C)c1cc(F)cc2c1[C@H](Cc1ccc(Cl)cc1)C1=C2CC[C@@H]1CC(=O)O 28821748 ZUKZYOZCSCWGNS-QDUSTFBWSA-N 414.904 6.165 0 1 HKAF CCN(CC)CCOc1ccc(C(c2ccccc2)c2ccccc2)c2ccccc12 28955487 VRLDJXDQZJUSDU-UHFFFAOYSA-N 409.573 6.741 0 1 HKAF CCCCC[C@]1(c2ccccc2)CC(=O)[C@@H](Sc2ccccc2C(C)C)C(=O)O1 36140296 QLVSGNQNTLCWPY-ILBGXUMGSA-N 410.579 6.263 0 1 HKAF Cn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4cc(F)ccc4n3)cc2)n1 38216886 YLRYJAVQMZTDKA-UHFFFAOYSA-N 410.452 5.415 0 1 HKAF CC1=C(/C=C/C2=CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)[C@H](O)CCC1 40164518 REBCKWLPJGCBRY-TWZIEDJCSA-N 400.647 6.734 0 1 HKAF endogenous,in-man O=C(Nc1sc(-c2ccccc2)nc1-c1ccccc1)c1ccc2sccc2c1 40764171 MVWIQNMEPWFIGJ-UHFFFAOYSA-N 412.539 6.944 0 1 HKAF Nc1ccc([C@@H](C(=O)NCCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 40918104 NLZWGCCLVBJWGY-NDEPHWFRSA-N 420.556 5.739 0 1 HKAF NC(=S)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(OCc2ccccc2)cc1 43080565 FCLQSASNCVZGKL-JOCHJYFZSA-N 421.953 5.314 0 1 HKAF COc1ccc(-c2nc3ccc(-c4ccncc4)cn3c2NC2CCCC2)cc1O 43118447 BURVOTDXCBYGOK-UHFFFAOYSA-N 400.482 5.132 0 1 HKAF Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)c3ccccc3C)cc2c1 66258707 NAZMNXRJFOYOMF-UHFFFAOYSA-N 402.519 5.049 0 1 HKAF CCN(CC)C(=O)[C@H]1Sc2c(F)cccc2-c2c1c1ccccc1n2CCF 68208455 KMVCCYAPFSUDPB-NRFANRHFSA-N 400.494 5.432 0 1 HKAF Cc1ccc(-c2nc(C(=O)N3CCC[C@H](C(=O)OCCC4CCCCC4)C3)co2)cc1 82069622 PFBPRXBKSBVZIL-NRFANRHFSA-N 424.541 5.016 0 1 HKAF CCCCCn1c(-c2ccc(OC)cc2)nc2c(NCc3ccc(C)cc3)ncnc21 82179087 IJKLYAYXPWYIND-UHFFFAOYSA-N 415.541 5.613 0 1 HKAF CC[C@H](C)Cn1c(-c2cccs2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188471 DEBZMFVCMGGDHQ-DLBZAZTESA-N 405.571 5.817 0 1 HKAF Cc1ccccc1-c1ccc2c(c1)[nH]c(=O)c1nc(-c3c(F)cccc3Cl)[nH]c12 96270710 FTNFWJGKFMEIIN-UHFFFAOYSA-N 403.844 5.839 0 1 HKAF COc1ccc(-c2c3cc(OCc4ccccc4)c(OC)cc3cc3c2ncn3C)cc1 96938724 ATDJKFPGKYZVOK-UHFFFAOYSA-N 424.500 5.990 0 1 HKAF Oc1c(Br)cc(/C=C/c2cccc(C(F)(F)F)c2)cc1Br 139395006 GOPXTIATJVYHIS-SNAWJCMRSA-N 422.038 6.106 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2nccs2)c1 167391557 LFVHMZKMNVGVDF-SFHVURJKSA-N 408.523 5.081 0 1 HKAF CC(C)c1ccc2c(c1C(=O)C[C@H](C(=O)NC1CCCCC1)n1ccnc1)CCCC2 169333882 XUMGYDVIUOIWRY-HSZRJFAPSA-N 421.585 5.148 0 1 HKAF Cc1ccc(-c2cc(C(=O)Nc3ccc(-n4cncn4)cc3)c3ccccc3n2)cc1C 169340144 UPBHFSQEYBUDIF-UHFFFAOYSA-N 419.488 5.352 0 1 HKAF O=C(O)COc1cc2c(c(Cl)c1Cl)C(=O)[C@@H](C1CCCC1)[C@@H]2c1ccccc1 169343400 ZUVBTDVFDCCLAE-MSOLQXFVSA-N 419.304 5.591 0 1 HKAF CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1nc2cccc(C)c2n1C 169722381 ZWHUHGFRCGCKFH-CTNGQTDRSA-N 424.335 5.864 0 1 HKAF CC(=O)OCc1cc(O)c2c(c1)[C@H]([C@@H](C)CCC=C(C)C)C[C@H](OC(C)=O)[C@@H]2C 209613774 AXMCHASUBUDAKX-FJLFQLCHSA-N 402.531 5.360 0 1 HKAF CC1=CCC[C@H](C)[C@@]1(C)CC/C(C)=C/CC/C(C)=C\C[n+]1cn(C)c2ncnc(N)c21 238783853 BMJABLUWVJRIBX-SITSGPLFSA-N 422.641 5.674 0 1 HKAF CN[C@@H](C)[C@H]1[C@H](OC)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C 255231883 MDDPOAHYGDIGBP-ZUDQDPCPSA-N 416.694 5.246 0 1 HKAF CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 474603683 CUJAYERIORHGSU-QSKIFVBVSA-N 412.636 5.879 0 1 HKAF CCCCc1cc(=O)oc2cc(OCc3nc4cc(C(F)(F)F)ncc4[nH]3)ccc12 586918249 KRHYRCOJCFHZCD-UHFFFAOYSA-N 417.387 5.005 0 1 HKAF Clc1cc(Cl)c(Br)c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 586976557 WAYUQPCKCSIGTB-UHFFFAOYSA-N 410.913 6.606 0 1 HKAF Cc1cc(Cl)cc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c12 586982631 MXTRAMIIRJQDEX-HNNXBMFYSA-N 405.767 6.660 0 1 HKAF O=C1c2ccccc2-c2cc(-c3c(Cl)nc4sccn34)nc3ccc(O)c1c23 586994117 VFYSNTPWIGFCBF-UHFFFAOYSA-N 403.850 5.181 0 1 HKAF FC(F)(F)c1cc2nc(CCc3ccccc3Cl)[nH]c2cc1Br 587059355 OVDYCKFTSWLVEH-UHFFFAOYSA-N 403.629 5.783 0 1 HKAF Fc1cc(Cl)cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 587068052 GPOUWTZBYJQSDO-UHFFFAOYSA-N 413.239 6.122 0 1 HKAF Cc1cccc(-n2cc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cn2)c1 587096322 HJRIZYLKKXTGEM-UHFFFAOYSA-N 401.469 5.916 0 1 HKAF Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cnn1-c1cccc(Cl)c1 587103455 IIDFVRHFQIWHGN-UHFFFAOYSA-N 421.887 6.261 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4ccc(Br)c(C)c4[nH]3)ccc2F)cc1 587139712 RCICEMSSFMUBGI-UHFFFAOYSA-N 423.285 6.310 0 1 HKAF CCc1oc2ccc(C(C)=O)cc2c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587205973 FWIUXJDRYDHUQL-UHFFFAOYSA-N 417.464 6.624 0 1 HKAF Cc1c(Br)ccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 587224145 FMIXKBFLGYMHRD-MRXNPFEDSA-N 408.340 5.390 0 1 HKAF CCCC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326813 DCUZIIRZBHCZQV-UKILVPOCSA-N 424.899 6.629 0 1 HKAF COc1cccc(-c2c(C)c(-c3cc(F)ccc3F)nc3c2oc2ccccc23)c1 587360190 KRPPBYMQYHDHLF-UHFFFAOYSA-N 401.412 6.910 0 1 HKAF C[C@@]1(c2cc(Cl)sc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370712 AWBMHBQJRGSBAV-XLIONFOSSA-N 423.292 6.174 0 1 HKAF Cc1ccc(-n2cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 587378207 SMNWEWMHXVFXAH-FQEVSTJZSA-N 411.299 5.145 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(CC/C=C(\C)CC/C=C(/C)CCC=C(C)C)[C@@H](C2)C3=O 587445822 OIGXHLZEYIUSQR-BMBJGCMTSA-N 422.609 7.401 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1cc(Cl)ccc1Cl)CC2=O 587462561 PABOLFQHOMKFLG-NRFANRHFSA-N 416.304 6.149 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)c(Br)cc1Cl)CC2=O 587465579 ILJFCOOYHDJQOK-QGZVFWFLSA-N 413.670 5.606 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)c3cc(C(C)C)ccc(C)c1-3)CC2=O 587480372 JSWUQYZPYBVSNI-RUZDIDTESA-N 402.534 6.896 0 1 HKAF CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 587486857 MUVSFNOYLOWMJU-NJEHHLDASA-N 405.538 5.266 0 1 HKAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OC 587497932 DSUYUFKDOWYAJY-GOSISDBHSA-N 417.299 5.052 0 1 HKAF O=C1C[C@@](Cc2ccccn2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587499470 JMBDXPWPNJYSTE-VWLOTQADSA-N 403.909 5.717 0 1 HKAF C[C@]1(c2cc(Br)cc3cc[nH]c23)CC(=O)c2ccc3c(c2O1)CCCC3 587500306 WCRPCJCRKNXKDX-JOCHJYFZSA-N 410.311 5.690 0 1 HKAF CCCOc1cc(Br)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587503351 NTCUVXJLLQPEQO-NRFANRHFSA-N 415.327 5.823 0 1 HKAF C[C@@]1(c2ccc3ccccc3c2OC(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587509063 WCOWWIAAXGQTSL-VWLOTQADSA-N 408.444 6.201 0 1 HKAF C[C@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540523 AXXLNUKWKHMFKP-GHTZIAJQSA-N 401.245 5.576 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccccc1Cl 587626109 PISUHWDUVZSCEQ-UHFFFAOYSA-N 405.725 6.398 0 1 HKAF Fc1ccc2[nH]c(-c3ccc(Br)cc3)c(-c3ccccc3)c2c1Cl 587628133 ITWXRTFHXHYZOS-UHFFFAOYSA-N 400.678 7.057 0 1 HKAF Cc1c(-c2cc(Br)ccc2OC(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587630109 RWYHRFQTIGJBJR-UHFFFAOYSA-N 422.603 6.597 0 1 HKAF CC1=C[C@@H]2C=C([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)C(Cl)=N[C@H]2C=C1 587707183 UMYHBEODDVKREY-UXIIHAMLSA-N 421.741 5.242 0 1 HKAF CCc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587709023 HIWSELCFVNWJSY-ZMZPIMSZSA-N 416.256 5.491 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(F)c3)s2)N1 587728409 DWEOXUDQSLEVEO-YBTHPKLGSA-N 420.322 6.079 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(F)cc2)N1 587737469 XSODQWBOQACRAJ-YUNKPMOVSA-N 403.270 5.142 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccccn3)cc2)N1 587772962 PUTNRQGBAPZWBI-LRTDBIEQSA-N 413.290 5.399 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC3CCCC3)cc2)N1 587807901 FAWUVNCDCNXWEL-ZSEKCTLFSA-N 404.323 5.533 0 1 HKAF COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)(C)C 587808110 OZPRMBCIFPRHMQ-DMZKTXOQSA-N 420.366 5.692 0 1 HKAF CCCCCc1ccc([C@]2(CC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587810951 DZHYEXIKBRNICS-MWTRTKDXSA-N 418.394 6.509 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2)(c2ccccc2)N1 587816090 UAVAFMUDEYSJRR-YMXWFHOSSA-N 422.341 6.079 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3sccc3nc2Cl)N1 587857751 MVMRCJZHYNECFS-ZKANADHPSA-N 411.727 5.475 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c2C)c(OC)c1 587928575 DUNBLINYNLAZLQ-UHFFFAOYSA-N 414.292 5.924 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccnc(O)c2[nH]1 587961183 RXELFLQOJOEKKH-XSCOUVMYSA-N 419.613 7.518 0 1 HKAF CCCC/C=C/c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587964619 AHKITNQAZNLNPA-WEVVVXLNSA-N 405.395 6.177 0 1 HKAF Cc1c(F)ccc2c1[C@@](CCC1CCCC1)(c1ccc(OC(F)(F)F)cc1)NCC2 962149730 XQLQRHCAJAHAJB-HSZRJFAPSA-N 421.478 6.392 0 1 HKAF COc1ccc2c([C@@]3(C)c4c(ccc(OC)c4OC)C[C@@H](C)N3C)c(OC)ccc2c1 962626599 MOFUUMGNBNSBRB-AKJBCIBTSA-N 421.537 5.014 0 1 HKAF C[C@@]1(c2cc(-c3ccc(Cl)cc3)no2)c2ccsc2CCN1Cc1ccco1 962706553 MPDUPGATSWEKHD-QFIPXVFZSA-N 410.926 5.971 0 1 HKAF C[C@H](c1ccccc1)n1c([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)nc2ccccc21 963112564 PYHDAKSLNFOOLP-JJHGTGHCSA-N 411.524 5.895 0 1 HKAF CCOc1ccc(C)cc1-c1cc(Cl)cc([C@@H](CC(=O)O)c2ncc(C)s2)c1 1772599542 KRXDALXKBLVRIP-LJQANCHMSA-N 415.942 6.086 0 1 HKAF O=C(O)CCc1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)s1 1772618668 RJBXRUHQRQUQNH-UHFFFAOYSA-N 406.425 6.030 0 1 HKAF Nc1cc(-c2ccc(Cl)c(C(F)(F)F)c2)c(C(=O)c2ccccc2Cl)s1 1857649237 QFVWNLNBHAGLNS-UHFFFAOYSA-N 416.251 6.554 0 1 HKAF CC(C)=C[C@H](CO)C(C)=CCCC(C)=CCC[C@]1(C)CCc2cc(O)cc(C)c2O1 2356417934 QTEJGXGKZMMAET-SHQCIBLASA-N 412.614 6.812 0 1 HKAF COc1ccc2c3c(c(=O)oc2c1)[C@@](C)(CCC=C(C)Cc1cc(C)co1)[C@@H](C)O3 2356597145 VQRPFWMTIIMDKU-NSYGIPOTSA-N 408.494 5.711 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C(O)C=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356721468 FRIHYFDWJYSSFE-ZGHROTSGSA-N 412.658 7.217 0 1 HKAF FC(F)(F)c1ccccc1Cc1c(-c2ccco2)nc2ccc(Br)cn12 72135820 BRWKWPSLRWJIGD-UHFFFAOYSA-N 421.216 5.966 0 3 HKAF O=C(Nc1ccccc1C(F)(F)F)O[C@@H]1CCC12CCC(c1ccccc1)CC2 96019234 QICXHNAMMUENKT-LVKMRUPZSA-N 403.444 6.761 0 3 HKAF NC(=O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2ccccn2)n1 13534768 OYCJBDPYEJFYMO-UHFFFAOYSA-N 409.276 5.007 0 1 HKAF CCO[P@@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCOC1=O 26280718 AMXIVYJIQFAWRM-SANMLTNESA-N 402.412 5.145 0 1 HKAF CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1)c1ccccc1 26501517 NFYRTRTZWQNXKS-DQSJHHFOSA-N 415.577 6.482 0 1 HKAF Cc1cc(C)c(-n2c(C)c(C)c3c(N(CCCF)CC4CC4)nc(C)nc32)c(C)c1 27763489 KRARFCMWPHAIKI-UHFFFAOYSA-N 408.565 5.847 0 1 HKAF COc1cc(NCCCCCCN2C[C@H](C)S[C@H](C)C2)c2nccc(C)c2c1 29569293 SDXSTJJYEAQNOP-KDURUIRLSA-N 401.620 5.350 0 1 HKAF Cc1ccc(O)cc1CC[C@H]1[C@@H]2CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]2(C)CC[C@H]1O 38559343 WPPVLVJCHIZUQE-JTRWSTAVSA-N 412.658 6.921 0 1 HKAF c1ccc(CN(c2ccccc2)[C@H]2CCN(c3ccccc3)[C@@H](c3ccccc3)C2)cc1 45494980 JSFMWJKZZNUJNH-XZWHSSHBSA-N 418.584 7.104 0 1 HKAF Cc1ccc2cc(CC3CCN(C(=O)c4cccc(-c5cc[nH]n5)c4)CC3)ccc2n1 49055773 SLWKHQONXOOWPU-UHFFFAOYSA-N 410.521 5.028 0 1 HKAF CC(C)=CCc1cc(-c2oc3c(CC=C(C)C)c(O)ccc3c2C(=O)O)c(O)cc1O 49110844 JMORUTGUQMSNPM-UHFFFAOYSA-N 422.477 5.932 0 1 HKAF biogenic CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1nc2c(C)cccc2[nH]1 51065570 JKFZDIOUSVLQIK-UYAOXDASSA-N 410.308 5.854 0 1 HKAF CCCN(C(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1)c1ccc2[nH]ccc2c1 53312768 LBNLMMKARBTIOL-IBGZPJMESA-N 410.517 5.946 0 1 HKAF Cc1ccc(-c2ccc3c(c2)[C@@H](N2CCN(C)CC2)Cc2ccccc2S3)s1 64549168 JLCDZKSQUUANJO-NRFANRHFSA-N 406.620 5.719 0 1 HKAF CC(C)=CCN1C(=O)[C@]2(O[C@@H](COc3ccccc3)CC3=C2CCC3)c2ccccc21 66136396 HLGCXWDUEODXAU-AJTFRIOCSA-N 415.533 5.543 0 1 HKAF C[C@H]1CCCC(=O)N[C@@H](c2ccccc2)[C@H](C)CCCC(=O)N[C@@H]1c1ccccc1 66148520 VXISWQYLXNBKND-SSVHHLKVSA-N 406.570 5.328 0 1 HKAF CCN(CC)C(=O)[C@H]1Sc2ccccc2-c2c1c1cccc(OC)c1n2CCF 68208460 CSWQEZJPOVECNM-QFIPXVFZSA-N 412.530 5.302 0 1 HKAF CC[C@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCc3ccc(F)cc3)ncnc21 82185524 FOSVYLCLNOBUGP-HNNXBMFYSA-N 423.923 5.944 0 1 HKAF CC(C)(C)C(=O)c1c(NC(=O)c2ccccc2C(F)(F)F)sc2c1CCOC2 95560600 VQUBPYAFRYWICQ-UHFFFAOYSA-N 411.445 5.321 0 1 HKAF Cc1ccccc1[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NN1C1=NC(=O)CS1 95572596 HSQNMFWBBWIOJR-KRWDZBQOSA-N 404.322 5.082 0 1 HKAF COc1ccnc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1 98176773 JVILZWKBBUPTPP-IBGZPJMESA-N 416.477 5.252 0 1 HKAF O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccc3ccccc3c12 101185512 OBLDKFKTBGJWKJ-PHTYHVAFSA-N 417.936 6.254 0 1 HKAF O=C(c1cn(-c2ccccc2)nc1-c1ccncc1)N1CCC(Cc2ccccc2)CC1 103196536 FCYLMXNWTALULP-UHFFFAOYSA-N 422.532 5.029 0 1 HKAF Cc1cccc(OCc2ccccc2-c2nc(COc3ccc(Cl)cc3)cs2)c1 103197281 KWAWKORMPGVVQE-UHFFFAOYSA-N 421.949 6.930 0 1 HKAF CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2cccc(Cl)c2)C2=C(O)CCCC2=N1 104691754 YJNCFHWHFBRVLG-OAQYLSRUSA-N 407.901 5.490 0 1 HKAF CC(C)[C@@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255287097 ZHZKWZJLUNXOSN-YBPWBUHQSA-N 418.706 6.685 0 1 HKAF C[C@@H](Nc1ccccc1)[C@H]1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 261186042 XKXGPCJOUDRYIM-IIDMSEBBSA-N 424.894 6.148 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(OC(F)(F)F)cc3)nc3ccc(O)c1c23 586987523 YEUFUAOZNAQLGC-UHFFFAOYSA-N 407.347 5.717 0 1 HKAF O=C1c2ccccc2-c2cc([C@H]3CCN(Cc4ccccc4)C3)nc3ccc(O)c1c23 586988139 LWIMTIQDLIARDV-SFHVURJKSA-N 406.485 5.141 0 1 HKAF Cc1ccc(-c2nc(-c3nc4cc(OC(C)C)c(Br)cc4[nH]3)cs2)o1 587016690 AJMPNCYJNKFHRV-UHFFFAOYSA-N 418.316 5.805 0 1 HKAF C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccnc(N)c2[nH]1 587054935 NGNGJLDHNCMELM-NSHDSACASA-N 415.280 5.779 0 1 HKAF Clc1ccccc1OCc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1 587063174 GXOURERCHYMBAB-UHFFFAOYSA-N 414.690 5.620 0 1 HKAF Cc1ccc2c(ccc3nc([C@@H]4[C@H](/C=C(/Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c32)n1 587071931 NSOQTQRQTPIJKE-ZQWCFFHNSA-N 422.359 7.092 0 1 HKAF Cc1c(Br)cc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c2c1C 587075881 ODTJQMJUKDCKEZ-UHFFFAOYSA-N 415.722 5.757 0 1 HKAF C/C=C\C[C@@H]1c2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C[C@H]1CC(=O)OC 587098267 QBHJPLXWSXRFOO-FEFZKZJHSA-N 411.501 5.540 0 1 HKAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cnc4ccccc4c3[nH]2)c1 587147393 PTKSJPHGGKQYGF-UHFFFAOYSA-N 413.408 5.291 0 1 HKAF COc1cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)nn1-c1ccccc1F 587157283 ZWUWUMYFFLNHKK-UHFFFAOYSA-N 414.440 5.142 0 1 HKAF CC(C)Oc1cc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2cc1Br 587162850 LZIULCMMHHTDRH-UHFFFAOYSA-N 405.267 5.067 0 1 HKAF FC(F)(F)c1cc(Cl)c2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2c1 587232678 ZDAXEBVUFNZQQK-UHFFFAOYSA-N 405.807 5.785 0 1 HKAF CCO[C@H](C)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587351996 VTZBIOWCFCFUFB-FSJAGCDVSA-N 420.480 5.903 0 1 HKAF CC(C)[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587356039 YRRQNVJINUCNBF-PMWMKWCKSA-N 402.465 5.929 0 1 HKAF CCCCC[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418646 AGSHGPVTWIHGNX-XMSQKQJNSA-N 420.427 5.817 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)(c1ccc(C)c(C)c1)CC2=O 587479250 CQPLXJIAUZSUDV-HHHXNRCGSA-N 400.518 6.065 0 1 HKAF CC(C)(C)OC(=O)N[C@H]1CC[C@H](C[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587514343 WNXJTGCHLLCTQB-WDSOQIARSA-N 413.558 5.373 0 1 HKAF O=C(O)c1ccoc1COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587533284 PEKMCVHHFOUIIQ-QFIPXVFZSA-N 418.445 5.142 0 1 HKAF CCCCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587593839 FEKDJAFYBXZRBR-WIOPSUGQSA-N 404.462 5.448 0 1 HKAF CCc1ccc(-c2c[nH]nc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587597063 RVGVWAKRCHDIPX-PXDATVDWSA-N 412.445 5.048 0 1 HKAF CC1(C)CC(=O)C(c2c(-c3ccc(F)cc3)[nH]c3cc(Cl)c(F)cc23)C(=O)C1 587629981 CAIBKWXQCLASSS-UHFFFAOYSA-N 401.840 5.808 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(Cl)cc2Cl)N1 587692028 AMTLQJZBVXLCSA-BCTVWOGZSA-N 404.110 5.088 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3cccn3)cc2Cl)N1 587693894 KJWUWVFWFHKQET-NSPYISDASA-N 420.713 5.051 0 1 HKAF CC[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587710499 DBZCKGFVYLPUQF-ZMZPIMSZSA-N 416.256 5.795 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2Br)N1 587723370 XHYUYBMLOXACAY-VPTHRUTESA-N 417.091 5.113 0 1 HKAF CCc1cccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587813054 ANMQRPKZHWYGOK-UPCLLVRISA-N 424.357 5.977 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2C[C@@H]3C=C[C@H]2C3)N1 587817282 BFRPDXSBRHCZQC-QOCAEVSFSA-N 412.346 5.578 0 1 HKAF Cc1ccccc1-c1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587818589 IXKMTGSFVOGUQB-WNSKOXEYSA-N 410.330 6.187 0 1 HKAF CC(C)c1ccc2c(c1)[C@]1(CCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587833957 JEDKYCHJJJIUPN-YEJXKQKISA-N 404.323 5.272 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc2c1OC(C)(C)C2 587836259 ZFKSUXMMUHRDDP-CWTRNNRKSA-N 404.323 5.234 0 1 HKAF Cc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 587848422 OKYSKLPLOPLUJG-LRTDBIEQSA-N 416.359 6.249 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1[nH]c2ccccc2c1Cl 587860691 DBFTZLMZTXFGSG-UHFFFAOYSA-N 419.790 5.401 0 1 HKAF COc1ccc(OCc2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)cc2)cc1 587873988 RHNVICCYEJORPD-UHFFFAOYSA-N 416.408 5.071 0 1 HKAF Oc1ccc(OCCc2ccccc2)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 587945871 RWTDRPNNQTWLHD-UHFFFAOYSA-N 407.416 5.875 0 1 HKAF CCC/C=C/C[C@H]1C/C=C/C=C(C)/C=C/C=C\[C@@H](O)C/C=C(C)/C=C/C=CC(=O)N1 653717560 UMYFIUGQWGBKLX-FANKFSJDSA-N 407.598 6.046 0 1 HKAF C[C@H](COc1c(Cl)cccc1Cl)NCc1ccc2c(c1)C(C)(C)N(O)C2(C)C 653755874 BXOSTDJWHDPKCM-CQSZACIVSA-N 423.384 5.726 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCCc3sc(Br)cc31)N(C(C)C)CC2 962087427 DNCIXHWYEUGXCL-HXUWFJFHSA-N 406.389 5.366 0 1 HKAF Cc1cc2c(cc1F)[C@]1(CCC[C@@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C)NCC2 962090200 HFWNPURMAWMYIV-MEKIYTOJSA-N 402.554 5.065 0 1 HKAF Cc1csc2sc([C@]3(C)c4ccsc4CCN3Cc3cccn3C)c(C)c12 962381595 YQCYNJLGDGSQDW-QFIPXVFZSA-N 412.649 6.301 0 1 HKAF Cc1sc2c(c1C)CCN[C@@]2(c1ccccc1)c1ccc(CN2CC=CC2)cc1 963013932 SFRFWPOYEYTMJR-SANMLTNESA-N 400.591 5.174 0 1 HKAF Clc1ccnc(Cl)c1[C@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963833927 ZEBXHYGKSIQWCI-JOCHJYFZSA-N 424.331 5.684 0 1 HKAF Cc1cc(-c2nc(-c3ccc(C(F)(F)F)c(C)c3)n3c2CCO[C@H](CF)C3)ccn1 1772589371 JOPBYJPWJHUZAP-QGZVFWFLSA-N 419.422 5.159 0 1 HKAF Oc1ccc2c(c1)CCc1ccc(O)c(c1)-c1cc(ccc1O)C=Cc1ccc-2cc1O 2356434397 PZJBYZRJSKDIJO-UHFFFAOYSA-N 422.480 6.112 0 1 HKAF CC1(C)C(=O)CC[C@]2(C)C3=CC[C@]4(C)[C@@H]5CCCC(C)(C)[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@H]12 2356448939 VNCZGYRTXJCYPQ-NRBYBHDBSA-N 424.713 8.377 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]21C 2356469335 JJJSDRCOEVDSMV-QMTDFKLXSA-N 402.663 6.504 0 1 HKAF CC(=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)[C@@H](C)C(C)C 2356515369 MGWRVECYAHBEFQ-XLUHJBIFSA-N 412.702 7.801 0 1 HKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@H]([C@@H]2CC=C3C[C@H](O)CC[C@@]3(C)C2=O)[C@]1(C)CCO 2356529235 YPMPBUHXNURWKY-MOSRYQOASA-N 402.619 5.316 0 1 HKAF CC(C)[C@H](O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356630261 IWXJGKGAPXGSCN-UEDMJYGWSA-N 418.662 5.330 0 1 HKAF CC1(C)C=Cc2c(c3c(c4c(=O)c(-c5ccc(O)cc5O)coc24)OC(C)(C)C=C3)O1 2356754308 UVAQRNVTJRWWJA-UHFFFAOYSA-N 418.445 5.240 0 1 HKAF COc1ccc(Cc2c(-c3ccccc3)nc3ccc(Br)cn23)c(C)c1 72135098 KUOQRWJTXNJRRY-UHFFFAOYSA-N 407.311 5.672 0 3 HKAF COc1cccc(-c2oc3c(c2-c2ccc(Br)nc2)[C@H](O)CCC3)c1 95571480 IUQLYIMUCGEBQT-OAHLLOKOSA-N 400.272 5.149 0 3 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COC(=O)NS(N)(=O)=O 3952229 FXAFQGFHRUKJAU-QIRCYJPOSA-N 412.596 5.062 0 1 HKAF CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccc(C(C)C)cc1 4152672 IKTAOMCICFKRLA-LADGPHEKSA-N 408.542 5.217 0 1 HKAF C[C@@H](C(=O)Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12)c1ccccc1 6443338 KSCUIWLQYJARAZ-LJQANCHMSA-N 418.492 7.075 0 1 HKAF O=C1Nc2ccccc2[C@H](c2ccccc2)N1C1CCN(CC2CCCCC2)CC1 13553578 LLZCJDKJRWKNNO-VWLOTQADSA-N 403.570 5.668 0 1 HKAF CC[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 13674502 WGASCOQFQPNVOL-QGZVFWFLSA-N 405.325 5.650 0 1 HKAF CC1=C2C[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]43C)[C@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C 14806472 QASFUMOKHFSJGL-LSRZZJLLSA-N 411.630 5.002 0 1 HKAF CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc(Cl)c4)c3c2C)cc1 28569151 PYKQAUCDLKYIST-UHFFFAOYSA-N 420.944 6.010 0 1 HKAF Cc1c(Cc2c(Cl)cccc2Cl)nc(S/C=C/c2ccc(F)cc2)[nH]c1=O 28862930 HKEHXQACAUSIPF-MDZDMXLPSA-N 421.324 5.878 0 1 HKAF CCN1CCC[C@@H](Nc2nc(Nc3ccc(Cl)c(Cl)c3)c3ccccc3n2)C1 29203524 ODCAOWJVFJDKSY-OAHLLOKOSA-N 416.356 5.576 0 1 HKAF Cc1c(Cc2c(Cl)cccc2Cl)nc(Sc2ccc(F)cc2F)[nH]c1=O 34820522 UKFUSHNRNJTGQX-UHFFFAOYSA-N 413.276 5.405 0 1 HKAF COc1cc(OC)c2c(c1-c1ccc(O)c3c(OC)cc(C)cc13)C[C@H](C)N[C@H]2C 38628476 NEXWIAAPMUHYEP-GJZGRUSLSA-N 407.510 5.142 0 1 HKAF biogenic O=C(Cc1ccc(Cl)cc1)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 39233054 LMUULRHHZLFCPO-SFHVURJKSA-N 409.700 5.371 0 1 HKAF Cc1nnsc1C(=O)Nc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)c1 45186936 GPIPLUWNOZUUHJ-UHFFFAOYSA-N 417.519 5.371 0 1 HKAF O=C(Nc1cc(F)c(F)c(-c2cccnc2)c1)N1CCc2cc(Cl)c(Cl)cc21 45194598 MJPOKUDEURYXSY-UHFFFAOYSA-N 420.246 5.928 0 1 HKAF COc1ccc(OC)c([C@H](Nc2ccc(C)cc2Cl)C(=O)CCc2ccncc2)c1 52595131 PISOWPUVURXJEA-DEOSSOPVSA-N 424.928 5.416 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 59045527 QTLHKKVOGSJGHS-XMDINARPSA-N 416.690 6.606 0 1 HKAF CCCCCC(=O)Nc1ccc2c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N2C(C)=O 59084279 AKCRNEXLYOWYDS-AREMUKBSSA-N 406.570 6.047 0 1 HKAF COc1cc(-c2nnc(-c3c[nH]c4ccccc34)s2)ccc1OCc1ccccc1 64426373 YFUXHMPBAZUIPH-UHFFFAOYSA-N 413.502 5.941 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccn(Cc2ccccc2Cl)c1=O 64527375 HCVJWQNCDPNWPW-UHFFFAOYSA-N 421.806 5.213 0 1 HKAF Cc1cc(/C=C2/C(=O)Nc3c(F)cccc32)c2ccccc(OCCCN(C)C)c1-2 64539789 OZLGGHKRVUNADX-HMMYKYKNSA-N 404.485 5.062 0 1 HKAF COCCn1c(-c2cc(C)cc(C)c2)cc2cc(C(C)(C)C(=O)NC(C)(C)C)ccc21 66100256 SOEATSBOVKRGLH-UHFFFAOYSA-N 420.597 5.764 0 1 HKAF COc1ccc([C@H](NC(=O)C(F)(F)F)[C@@H]2CCCC=C2c2ccccc2)cc1OC 66167365 QJWPGXZNJDKHIZ-NQIIRXRSSA-N 419.443 5.307 0 1 HKAF Cc1nc(-c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2ccco2)oc1C 82219762 ROQKMKSVLRJWHA-UHFFFAOYSA-N 414.387 5.639 0 1 HKAF Cc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2C)o1 82221575 QCNGKIHVIWXGMX-JWWGGVBKSA-N 402.542 5.898 0 1 HKAF COc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2ccccc2c1=O 84653287 SDNUWCGYHZCBOR-UHFFFAOYSA-N 412.367 5.164 0 1 HKAF c1ccc(-c2csc(N3N=C4c5ccccc5CC[C@H]4[C@H]3c3cccs3)n2)cc1 95595865 MOSKGJLKTQASHI-XXBNENTESA-N 413.571 6.400 0 1 HKAF CCN(CC)C(=O)[C@H]1Sc2ccc(OC)cc2-c2c1c1ccccc1n2CCF 96909195 ZIMVZKBPYCAUPT-QFIPXVFZSA-N 412.530 5.302 0 1 HKAF COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2c[nH]c3ccccc23)C[C@H]1C 104098570 JOYFTIBCCGDFHM-IIYZAJTGSA-N 401.466 5.048 0 1 HKAF O=S(=O)(c1ccc(F)c(F)c1)c1cnc2c(F)cccc2c1-c1cccc(F)c1 115923753 NCGRXEREHWHYBV-UHFFFAOYSA-N 417.383 5.291 0 1 HKAF O=C1NC(=O)/C(=C/c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)S1 164108332 NIOMYXUIQUUSCN-MFOYZWKCSA-N 402.397 5.032 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(OC)cc2)cc1)C3 195083027 AMHYXJZDPUGVJV-WYGYSTODSA-N 417.549 5.039 0 1 HKAF CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C)C(C)C 255262048 RBKDJWIIGGRRML-BRTPLKIBSA-N 408.670 7.641 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257783877 ZMYBKDLUDWAJSA-HFTGCAPLSA-N 400.691 8.067 0 1 HKAF endogenous,in-man Cc1ccc2ccccc2c1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 586884333 UJZPJIYFIDEWPC-UHFFFAOYSA-N 421.216 6.353 0 1 HKAF Oc1ccc(-c2cccc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c2)cc1 586897550 FSGVXDGNELQFSN-UHFFFAOYSA-N 401.210 5.643 0 1 HKAF Cc1cc(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)ccc1Br 586977800 SPIHGPBHOSTMPS-UHFFFAOYSA-N 403.629 5.897 0 1 HKAF COc1c(Cl)cc(Cl)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586984907 BYXJJQQQRVMWAV-UHFFFAOYSA-N 422.267 6.134 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@H](CNC(=O)OC(C)(C)C)CC4)-c1ccccc1C2=O 586994918 BOCFFYNNOKNTNA-HNNXBMFYSA-N 414.505 5.309 0 1 HKAF CC(C)Oc1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 587001345 NMOAYFNXQXHLKK-ZZXKWVIFSA-N 415.287 5.054 0 1 HKAF CCCn1cnc2cc(-c3nc4ccc(Cl)c(C)c4[nH]3)cc(Br)c21 587003701 LWACBWREQOBINE-UHFFFAOYSA-N 403.711 5.714 0 1 HKAF CC(C)COc1cc2[nH]c(-c3ccc(Br)o3)nc2cc1Br 587007381 JVYQSGAZLGXMMY-UHFFFAOYSA-N 414.097 5.383 0 1 HKAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(Br)c(O)c2[nH]1 587011728 MLZGIGDWTHULPW-UHFFFAOYSA-N 400.301 5.054 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cnc3ccccc3c2[nH]1)c1cccc(Cl)c1 587071388 LXMPEQHURVFFBU-SFHVURJKSA-N 422.916 5.573 0 1 HKAF Fc1cc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2cc1C(F)(F)F 587083214 JVKFWTNMXUQUAA-UHFFFAOYSA-N 400.162 6.243 0 1 HKAF FC(F)(F)c1ccc2ncc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)cc2c1 587111380 GCKXEHYHXPERCA-UHFFFAOYSA-N 419.406 6.376 0 1 HKAF FC(F)(F)c1ccc(Oc2ccc(-c3nc4ncc(C(F)(F)F)cc4[nH]3)cc2)cc1 587114448 UGBYBINDAOHTFQ-UHFFFAOYSA-N 423.316 6.455 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cncc(Br)c4[nH]3)c(F)c2)c(F)c1 587148404 GARXHJGXVFMGPU-UHFFFAOYSA-N 416.225 5.341 0 1 HKAF CCOC(=O)[C@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C=C1C 587362204 GTWJDWHRCSOARW-IBGZPJMESA-N 413.473 5.795 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(CCc3ccc(Cl)cc3)c1C)O2 587379832 XLJLXARBUHFTKC-HSZRJFAPSA-N 408.929 5.598 0 1 HKAF COc1ccc2c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cn(C(=O)OC(C)(C)C)c2c1 587389201 FYVWTDUNHLSINW-NRFANRHFSA-N 422.481 5.030 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(C1(Br)CCCC1)[C@@H](C2)C3=O 587412616 JIABBRFQSOEUPM-HTAPYJJXSA-N 413.311 5.046 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O 587421636 VNZAFVUHOUTDAB-QKKBWIMNSA-N 400.261 5.281 0 1 HKAF COc1cc(C(F)(F)F)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542571 AAICDHWDBBDOMZ-NQIIRXRSSA-N 416.351 5.123 0 1 HKAF CC1(C)Cc2nc(Cl)ccc2[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587551580 HFKHSVZZWNIUAP-YKSBVNFPSA-N 421.880 5.270 0 1 HKAF Cc1c(F)ccc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n(C)c12 587567349 GQWLUQOPIBABJL-HYBUGGRVSA-N 403.409 5.034 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(F)c2F)o1 587568005 JJNLADJKHQRSKE-RDPSFJRHSA-N 420.367 5.633 0 1 HKAF COc1ccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 587599312 FAAZJLFKRCHEMH-SQHAQQRYSA-N 424.452 5.771 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(c1ccsc1)c1ccsc1 587617860 LIGBGNABMLKGRS-IBGZPJMESA-N 406.484 5.421 0 1 HKAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)cc3)c(CSc3ccccc3)c2c1 587650047 OUENVXIYSYBYFF-UHFFFAOYSA-N 411.523 5.670 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3ccc(Cl)cc23)N1 587697081 LLSPTHPLCGGAKZ-GIGQVBGESA-N 407.714 5.521 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C[C@H](C)c2cn(C)c3ccccc23)N1 587760659 ZSNNPVBZFUMEKF-RXSFTSLZSA-N 415.350 5.849 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(Br)c2)N1 587850421 YVXFAQGRAJSSHX-UOWDBTKRSA-N 405.130 5.036 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CNc1cccc(Cl)c1C 587861042 JPHMPTYVWGFWKB-UHFFFAOYSA-N 423.822 5.292 0 1 HKAF CCc1cccc2sc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)nc12 587869569 MMBIABCBCVUISA-UHFFFAOYSA-N 404.417 5.134 0 1 HKAF Oc1cc(-c2cccc(Cl)c2)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 587945261 LCENZJKJQWBGAQ-LJQANCHMSA-N 411.860 6.174 0 1 HKAF CC(C)N1CCC(NC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 618010544 ZFYKCYOBDRFKLU-UHFFFAOYSA-N 416.613 5.266 0 1 HKAF O=C(O)c1noc(-c2ccc(OCc3ccccn3)cc2)c1-c1ccc(Cl)cc1 653731203 HDGANEMPOHKHSY-UHFFFAOYSA-N 406.825 5.334 0 1 HKAF COc1ccc2c(c1)[C@]1(C[C@H](C)c3c(Br)cccc31)N(C(C)C)CC2 962088312 GAMJFKABCWFBGD-OYHNWAKOSA-N 400.360 5.475 0 1 HKAF Cc1c(F)ccc2c1[C@](C[C@H]1OC(=O)c3ccccc31)(c1ccc(Cl)cc1)NCC2 962148252 SHOCRFCDURVSKM-RDGATRHJSA-N 421.899 5.479 0 1 HKAF CCCCOc1cc([C@@H]2c3ccsc3CCN2Cc2cccn2C)ccc1OC 962368483 AUUBURRVROCHTI-XMMPIXPASA-N 410.583 5.422 0 1 HKAF FC(F)(F)Oc1ccc2nc([C@H]3NCCc4cc(-c5ccccc5)ccc43)[nH]c2c1 962662663 LXRPFRXHUHAKRW-NRFANRHFSA-N 409.411 5.364 0 1 HKAF Clc1cc([C@@]2(c3cccnc3)c3ccsc3CCN2Cc2ccco2)ccn1 962714083 YFXZFOULAFWQDK-JOCHJYFZSA-N 407.926 5.135 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CCc2cc(C)cc(C)c2)(c2ccccc2C)N1 962951587 UEQVULTWRKSFIP-NGQVCNFZSA-N 422.616 6.894 0 1 HKAF COc1ccc([C@]2(c3cccc(Cl)c3)c3c(F)cccc3C[C@H]3CCCN32)cc1 963113637 VHXGVAHWISKTBG-BWKNWUBXSA-N 407.916 5.800 0 1 HKAF COc1ccc([C@]2(CCc3c(C)cccc3C)NCCc3c(C(=O)O)cccc32)cc1 963150166 QQCDTXFTEAIGSJ-MHZLTWQESA-N 415.533 5.032 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@]2(c1ccsc1)c1ccccc1C(F)(F)F 963269289 HTCBGWHOUFLKJK-FQEVSTJZSA-N 423.887 5.867 0 1 HKAF Cc1ccc(Sc2ccc([C@@]3(C)N[C@H](C(=O)O)Cc4cc(C)c(O)cc43)cc2)cc1 963523315 GYAFQJNGIMVYST-WIOPSUGQSA-N 419.546 5.023 0 1 HKAF O[C@@H](c1ccc(-c2cc(F)cc(Nc3nccc(C(F)(F)F)n3)c2)cc1)C(F)F 1772583228 WNRZVJOUTXPDOK-INIZCTEOSA-N 413.321 5.344 0 1 HKAF C[C@H]1c2cccc(F)c2N(Cc2ccccc2)C[C@@H](C)N1C(=O)Nc1cccnc1 1772616571 WEODGHCRBNDCMW-MSOLQXFVSA-N 404.489 5.225 0 1 HKAF CCCN1CCc2cc(OC)cc3c2[C@H]1Cc1cccc(OCc2ccc(F)cc2)c1-3 1857557184 PGKOBQZOUYTLPL-XMMPIXPASA-N 417.524 5.946 0 1 HKAF Fc1cccc2c1[C@H](C1CCN(c3ccc(-c4ccncc4)cc3)CC1)n1cncc1-2 1857605185 OHOFRSZOPPTEEB-SANMLTNESA-N 410.496 5.571 0 1 HKAF CCCCC/C=C\CC[C@H](O)CCCCCCCc1nc(-c2cccc(O)c2)n[nH]1 1857631849 XDORGTCXXJPAKO-QGHLFXPHSA-N 413.606 6.338 0 1 HKAF Cc1c(-c2ccc(-c3cccnc3Cl)cc2)nc2ccc(Cl)cc2c1C(=O)O 1857641452 XFRXVJSJQYTAJN-UHFFFAOYSA-N 409.272 6.277 0 1 HKAF CC[C@]12CCCC(C)(C)[C@@H]1CC[C@]1(C)[C@@H]2C[C@H](O)[C@]2(C)C3=C(CC[C@H]21)[C@@H](C)OC3=O 2356336090 IWRWTZUVBMXROH-PPGLOPEYSA-N 414.630 6.048 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C 2356578726 COMISLYNEQPREW-ZUEUAWKTSA-N 414.674 6.383 0 1 HKAF CC[C@@H]1[C@@H](C[C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C1(C)C 2356668939 HRNVWBIKQMSFHI-AKKVQIQRSA-N 412.702 7.635 0 1 HKAF CC1=C2C[C@@]34CC[C@H]5CCC[C@H](C6=CCC7=C6[C@@H]3[N@]3C[C@@]36CCC[C@@H]6C7)[C@@]4(C)[C@@]25CC1 2356762709 OGBNNUCMJFMTRR-RWXJHGHJSA-N 413.649 6.957 0 1 HKAF CC(=O)O[C@@H]1C=C2[C@H](CC[C@]3(C)[C@H]2CC=C2CO[C@H](O)[C@@H]23)[C@]2(C)CCCC(C)(C)[C@H]12 2356799244 UFDBXWQFWFNVOO-JGXOCIOYSA-N 414.586 5.018 0 1 HKAF Cc1ccc(F)c([C@H]2[C@@H]3C=CC[C@H](c4ccccc4)[C@H]3C(=O)N2Cc2ccccc2)c1 34961356 JKQUHEGFTUFCCP-FKDDUOCFSA-N 411.520 6.194 0 3 HKAF O=C(Nc1ccccc1)[C@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 61907987 NXAMVUPIJGBURP-XMMPIXPASA-N 408.457 5.483 0 3 HKAF CCc1nc2c(-c3ccc(C(F)(F)F)cc3Cl)ncnc2n1C(C1CC1)C1CC1 2009808 SLKGNKHXSKUHFT-UHFFFAOYSA-N 420.866 6.089 0 1 HKAF O=C(NCc1ccccc1F)c1c(-c2ccccc2Cl)noc1-c1ccccc1 2481728 MFSXCTMWWKNQBO-UHFFFAOYSA-N 406.844 5.731 0 1 HKAF CCCCc1nc(Cl)c(COC)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 13493328 VUFVSKKDNBDXCJ-UHFFFAOYSA-N 412.917 5.439 0 1 HKAF CN(C)CC[C@@H](OC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 13684774 ZTUXOMDHDGFDQX-HSZRJFAPSA-N 408.929 6.249 0 1 HKAF Cc1cc(C(C)(C)C)c(OC(=O)NS(=O)(=O)Nc2ccccc2)c(C(C)(C)C)c1 13747504 BSMDGIJLKVAEBE-UHFFFAOYSA-N 418.559 5.035 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(F)F 14252165 VSXSIZULFIRURF-OGDZRKEVSA-N 418.656 10.419 0 1 HKAF in-vivo Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)C=C2 14767675 BIXWVSLNTIFDQN-RZIGYZOXSA-N 414.674 8.612 0 1 HKAF biogenic CN1CCN(CCCNc2cc(Cl)ccc2Sc2ccc(Cl)cc2)CC1 22938726 LHCILDQFBZMULI-UHFFFAOYSA-N 410.414 5.194 0 1 HKAF C[C@H](O[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O)[C@@H](C)c1ccccc1 27553434 QCBYZOSVCCPKPO-YPBQGGFRSA-N 418.924 5.664 0 1 HKAF Nc1ccccc1NC(=O)CCCCCCC(=O)Nc1cccc(-c2ccccc2)c1 40405173 YIDXRJJVZRCQTD-UHFFFAOYSA-N 415.537 5.854 0 1 HKAF CCCCOc1cc(O)cc(OCCCCCCCCCCC(=O)NC2CC2)c1 40949822 DPQMNRBGHBFVAI-UHFFFAOYSA-N 405.579 5.739 0 1 HKAF FC(F)(F)c1ccc(Nc2noc3c(-c4ccccc4C(F)(F)F)cccc23)cc1 45302220 GHMMGNGURMNRPZ-UHFFFAOYSA-N 422.328 7.276 0 1 HKAF O[C@@](c1ccc(F)cc1)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F 49070571 KMBFENZTPAWDBF-FQEVSTJZSA-N 404.338 5.102 0 1 HKAF in-vivo CC(C)CCNc1cc(Cl)nc(S[C@H](C(=O)O)c2cccc3ccccc23)n1 49109947 COUZGLSEBNURHL-IBGZPJMESA-N 415.946 5.659 0 1 HKAF Cc1ccc(CN[C@H](c2nc(-c3ccccc3)c(N3CCCCC3)o2)C2CC2)cc1 72186319 XYLAVNSJDCELRJ-QHCPKHFHSA-N 401.554 5.881 0 1 HKAF Cc1ccc([C@@]23Sc4cc(Br)ccc4N=C2c2ccccc2C3=O)cc1 84723041 AJRCCTOZHDYRDN-JOCHJYFZSA-N 420.331 6.076 0 1 HKAF Cc1nccc2c3ccc(OCc4cccc(F)c4)cc3n(Cc3cccc(F)c3)c12 95552596 YLPZZFNUBHIQQA-UHFFFAOYSA-N 414.455 6.403 0 1 HKAF CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@H](CC=C(C)C)C(=O)[C@H]1C(=O)C(C)C 100779548 AXAAMKAGJNUYDB-ZOJNDGCKSA-N 400.647 7.498 0 1 HKAF endogenous,in-man COc1cccc(N2[C@H](c3ccccc3)[C@]23C(c2ccccc2)=Nc2ccccc23)c1 103274799 CUUBHGGFAQBGRZ-FBMPGHKGSA-N 402.497 6.286 0 1 HKAF Fc1ccc([C@@H]2C[C@H]3CC[C@H]([C@H]2c2ccc(F)cc2)N3CCc2ccccc2)cc1 137252027 TULWTCRECLIYGX-RAVGUYNFSA-N 403.516 6.312 0 1 HKAF COc1cccc(OC)c1/C=C/c1cc(Br)c(O)c(Br)c1 139411124 UCNXEYCMLOGKFA-VOTSOKGWSA-N 414.093 5.105 0 1 HKAF Fc1cc(F)cc(-c2cnc3onc(C(F)(F)c4ccc5ncccc5c4)c3c2)c1 139679986 JRLKVVBERFUKCG-UHFFFAOYSA-N 409.342 5.856 0 1 HKAF C[C@@H]1CCC[C@@H](NC(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 143236925 JUQNLOMOUWTRQC-IEBWSBKVSA-N 402.498 5.321 0 1 HKAF CCCCc1ncc(Cc2cnc3cc(C)ccc3c2)c2cc(OC)c(OC)cc12 145059133 BCUBWAWHYGUJFH-UHFFFAOYSA-N 400.522 6.042 0 1 HKAF COC1CCC2(CC1)Cc1ccc(Br)cc1[C@@]21CC(C)(C)SC(N)=N1 169700439 HEAYOYFPQWLFLJ-OAAAQFAESA-N 423.420 5.006 0 1 HKAF O=C(CC1CCC1)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 169711159 YBUAHTMMKRAXBO-UHGJSFDGSA-N 422.613 5.868 0 1 HKAF Cc1ccccc1N1C[C@@]2(CCC[C@](C)(Cn3cnc4ccc(C#N)cc43)C2)OC1=O 205512461 SHYOVJCXRPJUKR-DQEYMECFSA-N 414.509 5.192 0 1 HKAF CCCC/C=C/CC/C=C/CCCCCCCCCCC(=O)OC[C@@H](O)C(=O)O 238756550 OELDKSOVLPNCTH-PXLJAUHDSA-N 410.595 5.959 0 1 HKAF CN(C)[C@@]12CCN(CCc3ccccc3)[C@@H]([C@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 253677924 ODTDMOVMBQWMEM-AOPYLASSSA-N 424.632 5.965 0 1 HKAF CC1(C)CCc2cc(CCC(=O)c3c(O)cc4c(c3O)CCC(C)(C)O4)ccc2O1 299838962 ROJMZFPQONDKBB-UHFFFAOYSA-N 410.510 5.121 0 1 HKAF biogenic,in-vitro Cc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2F)o1 299880809 MWVZFHQXDFQCKW-DZJHOTPTSA-N 406.505 5.729 0 1 HKAF CCCCc1cc(=O)oc2cc(OCc3nc4cc(C(F)(F)F)cnc4[nH]3)ccc12 586917393 AUVVWHVECCVCQW-UHFFFAOYSA-N 417.387 5.005 0 1 HKAF CSc1sc(-c2nc3cc(C)c(C)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586920712 WCJWXOQOTFGLOH-UHFFFAOYSA-N 415.005 5.466 0 1 HKAF Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1C(F)(F)F 586986612 OJQFNMQPDOFOII-UHFFFAOYSA-N 405.375 6.146 0 1 HKAF FC(F)(F)Oc1cc2nc([C@H]3Cc4ccccc4S3)[nH]c2cc1Br 587041653 CQXAOHCDOCANHY-CQSZACIVSA-N 415.234 5.614 0 1 HKAF FC(F)(F)c1cccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c12 587049183 HZTDZUQFYCEFAU-UHFFFAOYSA-N 422.837 7.722 0 1 HKAF COc1ccc2[nH]c(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)nc2c1 587062521 WWRDBEGYAMMUMB-UHFFFAOYSA-N 417.900 5.302 0 1 HKAF O=c1cccc(-c2nc3c4c(ccc3[nH]2)CCCC4)n1CCOc1ccccc1Cl 587064523 UWDRGWKDKKQGBV-UHFFFAOYSA-N 419.912 5.003 0 1 HKAF Fc1cc(Br)cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 587161624 ZBRWGQAIEXHUIK-UHFFFAOYSA-N 405.999 5.172 0 1 HKAF Fc1ccc(/C=C(\c2nc3ccc(Br)nc3[nH]2)c2cccs2)cc1 587162528 CPKKLKUNJXQEHO-RAXLEYEMSA-N 400.276 5.510 0 1 HKAF CC(C)(C)OC(=O)NC1(c2nc3ccc(Oc4ccccc4)cc3[nH]2)CCC(O)CC1 587237256 ONIPHEZMVBKCLJ-UHFFFAOYSA-N 423.513 5.010 0 1 HKAF C[C@@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330635 OJKNWYXZOPPULM-IRLDBZIGSA-N 416.370 5.824 0 1 HKAF CCC[C@]1([C@H]2CCOC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350754 GZWAHAWGXYICQN-QOKIKDITSA-N 412.501 5.634 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1ccc(C(F)(F)F)cc1)CC2=O 587464354 OTNATGRBDSGBFZ-IBGZPJMESA-N 416.399 5.460 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)([C@@H]1CCOC(C)(C)C1)CC2=O 587476537 CQYINMQRMBQCGI-NIYFSFCBSA-N 408.538 5.497 0 1 HKAF Cc1ccc(C[C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587500706 NNQCTXHJHLIWFW-MHZLTWQESA-N 416.948 6.631 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1C(F)(F)F 587549562 QWTNFVMNUNOZIA-YLJYHZDGSA-N 404.315 5.253 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccco1)c1c[nH]c2ccccc12 587586715 DBUQLHSWYWKJLK-OZXSUGGESA-N 423.424 5.372 0 1 HKAF CC(C)(C)[C@@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602180 XDDSYBCNLMOOFI-HOFKKMOUSA-N 414.501 5.784 0 1 HKAF CCCCCc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587603186 NNKOSPBCGWWLIM-ZEQKJWHPSA-N 402.490 6.002 0 1 HKAF CC(C)CSc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587612571 JUZLCEGWOAPEKF-ZJSXRUAMSA-N 406.503 5.843 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCc3ccc(Cl)cc32)N1 587703245 XNROEFHMIWUARZ-YUNKPMOVSA-N 408.742 5.746 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCSc3cc(F)c(F)cc32)N1 587730505 JCTGDTAXFYKQRG-LZVRBXCZSA-N 414.290 5.140 0 1 HKAF CCC[C@H](OC)c1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587793868 NXFLCMPTOCGKPJ-GBSMKCJWSA-N 420.366 5.874 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccsc2Br)N1 587841377 ATZNMORKDUCWQU-UHLUBPPHSA-N 405.130 5.036 0 1 HKAF Cc1nc(-c2ccncc2)sc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587853711 QZXGHWUCFCHPPO-DYZYQPBXSA-N 418.335 5.039 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2cc(Cl)ccc2s1 587869197 BUOXMLUQGBNTKL-UHFFFAOYSA-N 410.808 5.225 0 1 HKAF Fc1cc2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2cc1Br 587950469 QZZFTKKAWLYJSR-ZHACJKMWSA-N 409.258 6.427 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3cn[nH]c3)c2)cc(-c2ccc3occ(C)c3c2)n1 653768317 HEXYZEDJKOLSIP-INIZCTEOSA-N 409.493 6.070 0 1 HKAF CC[C@H](C)Oc1ccccc1[C@H]1c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962631386 DVSWRGGRJQUPRI-FFCVWOAGSA-N 412.577 5.700 0 1 HKAF CCOc1ccc(F)c(F)c1[C@H]1c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962643991 QUENTYQPTUBHJF-RXFWQSSRSA-N 420.503 5.200 0 1 HKAF Cc1ccc(C)c(-c2n[nH]cc2[C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c1 962697060 HOOSQCWSDYPSCU-OSPHWJPCSA-N 407.558 5.286 0 1 HKAF CCOc1cc(OCC)c([C@H]2NCCc3c(Cl)cc(Cl)cc32)cc1OCC 963117174 CSDCTOFRACEYEH-NRFANRHFSA-N 410.341 5.425 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCc1cccc(F)c1)c1ccc(F)cc1F 963233801 DGMCWOGLQJKKCJ-XHCCPWGMSA-N 423.522 6.637 0 1 HKAF C[C@@]1(CCCCCCC(=O)O)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963816525 CYJCDASPGKHSEZ-SANMLTNESA-N 420.553 5.533 0 1 HKAF COc1cc(F)c(-c2cc(Cl)cc([C@H](CC(=O)O)c3ncc(C)s3)c2)c(F)c1 1772597089 GOWGJJIXHSKENK-HNNXBMFYSA-N 423.868 5.665 0 1 HKAF Cc1cc(-c2ccc(Cl)cc2)sc1C(=O)NCc1cccc(C(F)(F)F)c1 1857567702 SAMXURQGXKSCPK-UHFFFAOYSA-N 409.860 6.326 0 1 HKAF O=C(c1ccc(-c2cc(Cl)c(O)c(Cl)c2)s1)c1c(Cl)ccc(O)c1F 1857589754 MNBRTTWYOOWKCW-UHFFFAOYSA-N 417.672 6.157 0 1 HKAF C[C@H](CCC(=O)N(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857643382 LWRLHFZIBPMPTE-GBURMNQMSA-N 403.651 5.511 0 1 HKAF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]23)ccc1OC=CC(C)C 2356498979 NXUQPWMHPDPMCA-QIMADWELSA-N 424.493 5.048 0 1 HKAF CN[C@H]1CC[C@]23C[C@@]24CC[C@]2(C)[C@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C 2356505777 PLKVWYPBRRRIQG-LYWXVEBZSA-N 400.695 5.964 0 1 HKAF CC(=CCCC1=CC[C@@H](C2=CC(=O)OC2)O[C@@H]1O)CCC1=C(C)CCCC1(C)C 2356524992 SFCKEJIXMBMGDU-UPVQGACJSA-N 400.559 5.537 0 1 HKAF Cc1c(Br)cc([C@]2(C)CC[C@@H]3C[C@]32C)c(O)c1I 2356579596 FYVRRGGZWREWDC-TURNYIBQSA-N 421.116 5.145 0 1 HKAF CC1(C)C2=CC[C@@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]3(C)[C@]2(C)CC[C@H]1C(=O)O 2356700144 YGLGULHMTYKQDP-QCUMZHGVSA-N 402.619 6.063 0 1 HKAF FC(F)(F)c1ccccc1Cc1c(-c2cccc(Cl)c2)nc2ccc(Cl)cn12 95605411 BHONIHVBPNSSRS-UHFFFAOYSA-N 421.249 6.918 0 3 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)C(=C1SCCCS1)Oc1ccc(F)cc1-3 13490436 NTCBYBDADUSXSB-UHFFFAOYSA-N 411.567 6.989 0 1 HKAF CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(C(C)(C)C)cc3)c(CC(=O)O)n2C1 13737364 JCSNFRFQFGSHIF-UHFFFAOYSA-N 401.550 6.329 0 1 HKAF CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCN(C(=O)CO)C=C21 26258910 AHGMWEWSNMOGNW-HLIPFELVSA-N 415.574 5.065 0 1 HKAF C[C@H](O)c1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1cccc2ccccc12 26569745 VUGWJNFNAADKDN-PXNSSMCTSA-N 400.497 5.881 0 1 HKAF COc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2cccc(OC)c2)cc1 27197659 WXGOBZKHRSHFOI-JWQCQUIFSA-N 401.506 5.431 0 1 HKAF Fc1ccc(-c2nc3ncnc(NCc4ccco4)c3nc2-c2ccc(F)cc2)cc1 28356134 HILLOTJZWBMZDX-UHFFFAOYSA-N 415.403 5.237 0 1 HKAF CC[C@@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4ccccc4)sc3C)ccc21 28566358 MDOUYVQGTYTRTO-IFMALSPDSA-N 421.562 5.881 0 1 HKAF O=C(Nc1ccc(-c2ccccc2)s1)NC1CCN(CC2=CCCCCCC2)CC1 28708522 XYILJCFIFJAYMS-UHFFFAOYSA-N 423.626 6.282 0 1 HKAF Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(C(C)(C)C)ccc3o2)cc1 29049167 GRLGNQNOZDNNOU-UHFFFAOYSA-N 414.505 6.118 0 1 HKAF COc1cccc2c1-c1ccc3c(c1[C@H](CC=C1CCCC1)O2)C(C)=CC(C)(C)N3 29463348 CSSGFLAVSYCBQG-QHCPKHFHSA-N 401.550 7.294 0 1 HKAF O=C(O)c1ccc(-c2ccc(-c3cc4cccc(Cl)c4o3)[nH]2)c(Br)c1 29464177 QPOHXQDIRRXTLH-UHFFFAOYSA-N 416.658 6.209 0 1 HKAF CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccc(CCCC)cc1 36294621 PKNGYYSGLHBRGC-UHFFFAOYSA-N 423.600 8.072 0 1 HKAF in-vivo O=C1c2ccccc2[C@@](OCCc2ccccc2)(c2ccccc2)N1Cc1ccccc1 40567739 PWXRROQZNLIFGO-LJAQVGFWSA-N 419.524 5.803 0 1 HKAF CCCCn1c(Cc2ccccc2)nc2cc(/C(=C/C(=O)O)c3ccccc3)ccc21 40951211 ZVCWTNGTVYRJMM-FCDQGJHFSA-N 410.517 5.944 0 1 HKAF CCc1ncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1 45284053 OEHOCIQYICKICV-QFIPXVFZSA-N 422.532 5.289 0 1 HKAF Cc1ccc([C@@H](CCN(C)C)NC(=O)c2ccc(-c3ccc4ccccc4c3)cc2)cc1 45290350 ZSDZDUHGVOROJR-MUUNZHRXSA-N 422.572 6.238 0 1 HKAF CCC(C)(C)C(=O)C[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 71789487 KIQGCVSPNHODPD-YPTSEQJFSA-N 416.602 5.249 0 1 HKAF COCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2cccc(C)c2)n1 82173889 XWOGCZWARPQRQC-UHFFFAOYSA-N 400.482 5.141 0 1 HKAF CCCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2C)n1 82177067 OWCRRDZJUUOPHF-UHFFFAOYSA-N 400.551 6.455 0 1 HKAF COCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccccc2C)n1 82177689 FUSNEELKRKCLKU-UHFFFAOYSA-N 400.482 5.141 0 1 HKAF CC[C@@H](C)Cn1c(C2CCCCC2)nc2c(NCCc3cccc(F)c3)ncnc21 82179593 ZDRJRDKYTGZTEV-QGZVFWFLSA-N 409.553 5.714 0 1 HKAF FC(F)(F)c1cccc(Nc2nc3c(-c4nc[nH]n4)cccc3c3sccc23)c1 84596853 MPKGZYZIJRTCNU-UHFFFAOYSA-N 411.412 5.997 0 1 HKAF C[C@H](NC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1)c1ccccc1 84689043 HHLFHURRTJLZKP-DEOSSOPVSA-N 413.564 7.483 0 1 HKAF CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(C(F)(F)F)c1C 96283504 DCTFILWTFZDRIC-UHFFFAOYSA-N 407.439 6.491 0 1 HKAF C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(C3CCCCC3)n2)C1 140136618 PQLFXCXWQSZFCU-JQHSSLGASA-N 410.537 5.147 0 1 HKAF COc1c(O)cc2oc(-c3cc(O)cc(O)c3CC=C(C)C)cc2c1CC=C(C)C 142934191 UJCIOTXRGXFZMM-UHFFFAOYSA-N 408.494 6.243 0 1 HKAF FC(F)(F)c1cccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c1 143130468 GKJKOLGGHMKEKH-UHFFFAOYSA-N 405.383 5.936 0 1 HKAF Cc1cnc(-c2ccccc2C(F)(F)F)nc1NCc1ccc(-c2cccnc2)cc1 169304595 XJTZREXZKLEOEP-UHFFFAOYSA-N 420.438 6.145 0 1 HKAF CC(=O)O[C@@H]1/C=C(/C)[C@@H](OC(=O)c2ccc(O)cc2)C/C=C(\C)CCCC1(C)C 169692858 YUURXLYREVDXOP-NXNGMMHWSA-N 400.515 5.342 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](C)C[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 253641129 PVJNSDNELNARLT-FLGAEPNWSA-N 413.690 6.950 0 1 HKAF c1ccc(CN2[C@H](c3ccccc3)C3=C(NO[C@@H]3c3ccccn3)[C@H]3CCCC[C@H]32)cc1 254132108 JJQHRZMERXCEHL-ZGZOUGAKSA-N 423.560 5.728 0 1 HKAF O=[S@](OCCCn1ccc2c(/C=C/c3ccccc3)cccc21)c1ccccc1 299839579 YUMFOVNZAQXMJR-DHTPLPAHSA-N 401.531 5.941 0 1 HKAF Cc1cc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586881822 YNICZEPWDNWFKO-UHFFFAOYSA-N 420.468 6.696 0 1 HKAF CCCC(Br)(CCC)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586971559 ULPBMHFKDZDAAM-UHFFFAOYSA-N 414.216 5.802 0 1 HKAF Oc1c(Br)ccc2nc(-c3cc(Br)ccc3Cl)[nH]c12 586980493 UCQVYLGTFLPVBH-UHFFFAOYSA-N 402.473 5.114 0 1 HKAF CSc1ccc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c2c1 586982467 ZWXOFLMAWVOLLF-UHFFFAOYSA-N 405.361 6.139 0 1 HKAF CC(C)(C)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587028205 WOKQGDWJOVZRRW-WTOYTKOKSA-N 421.610 5.997 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(C(=O)OCC)cc2[nH]1 587034596 PSRQQIZWSJMELQ-QGZVFWFLSA-N 421.522 5.226 0 1 HKAF c1ccc(C[C@H]2N[C@H](c3nc4ccc(Sc5ccccc5)cc4[nH]3)CS2)cc1 587042696 WBUKGZQXUQCZLQ-VXKWHMMOSA-N 403.576 5.660 0 1 HKAF COC(=O)c1ccc2nc(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2c1 587046282 DXTPQFAENMMNSN-VMPITWQZSA-N 414.889 5.217 0 1 HKAF C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(O)ncnc2[nH]1 587054793 LUSWZQIFRPPJPB-SNVBAGLBSA-N 417.252 5.298 0 1 HKAF Cc1ccc2c(ccc3nc(-c4cc(-c5ccccc5Cl)nc5ccccc45)[nH]c32)n1 587060441 MBWCVBKTNGRVJP-UHFFFAOYSA-N 420.903 6.955 0 1 HKAF Cc1c(Cl)ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c12 587070183 FMVPMYJZKROMCI-QGZVFWFLSA-N 420.340 5.987 0 1 HKAF CSc1ccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2c1 587082159 FVYHTTHAVMYIIS-UHFFFAOYSA-N 401.922 6.820 0 1 HKAF CC(=O)c1ccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2c1 587082584 RTZWLFOAEBKZBG-UHFFFAOYSA-N 413.864 6.007 0 1 HKAF Nc1nccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 587113193 ZHERDMVSQNNQJW-UHFFFAOYSA-N 422.332 5.912 0 1 HKAF Cc1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cc1Br 587116149 PWNQITOCXXBAPY-UHFFFAOYSA-N 407.193 5.263 0 1 HKAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(CO)cc2[nH]1 587121654 JIXKZDOOPJOGAB-UHFFFAOYSA-N 405.401 5.053 0 1 HKAF C[C@]1(c2ncccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331443 QJDODCRDEYRRJJ-NQIIRXRSSA-N 417.358 5.219 0 1 HKAF C[C@]1(c2ccc(F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335785 OWESEZPWPZDMLX-RBBKRZOGSA-N 400.808 5.598 0 1 HKAF O=C1c2ccc(O)cc2OC2(CCC(C3CCCCC3)CC2)[C@H]1c1ccc(F)cc1 587351604 KHESOXHKMDYNQD-OUXPZVHUSA-N 408.513 6.400 0 1 HKAF COc1cc(Cl)cc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1 587356858 APWHDFUZHSTNOS-UHFFFAOYSA-N 415.876 6.986 0 1 HKAF COc1cccc(-c2cc(CC(=O)NCc3ccco3)nc3c2oc2ccccc23)c1 587364066 ZVAQDZGELNINLN-UHFFFAOYSA-N 412.445 5.109 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C)C(C)(C)[C@@H](C(=O)O)C3)c1 587366842 QVQFXNVOXCCMPO-IFXJQAMLSA-N 415.489 6.043 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1ccccc1OC)[C@@H](C2)C3=O 587422932 RIWANVLHDYDTHR-CYFREDJKSA-N 406.865 5.048 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccc(-c4ccccc4)cc1)(c1cccnc1)[C@@H](C2)C3=O 587435669 IGYQTLQTXZYNGH-CUBQBAPOSA-N 419.480 5.448 0 1 HKAF COc1ccc(Oc2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1 587440269 BOPAOMDCCBKLSK-PXDATVDWSA-N 402.446 5.159 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1sc(-c4ccccc4Cl)nc1C)[C@@H](C2)C3=O 587453217 WFTXLOMXYSQCOX-NYHFZMIOSA-N 411.910 5.443 0 1 HKAF COc1cc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)ccc1F 587502190 CTASOCNIBDXVTM-XMMPIXPASA-N 402.465 6.087 0 1 HKAF Cc1nc(Cl)c(Br)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587505078 UGYQMDBZIYPOJM-HXUWFJFHSA-N 420.734 5.565 0 1 HKAF Cn1nc(C(F)(F)F)c2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)sc21 587508435 OVRGUUCSXQCWEZ-HNNXBMFYSA-N 406.429 5.239 0 1 HKAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1Cl 587541146 DDMDPZUPIVUHBH-KKSFZXQISA-N 401.245 5.710 0 1 HKAF Cc1ccc(C[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587603948 SMPVRQROMUHPBE-LEAFIULHSA-N 422.480 5.800 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(N3CCOCC3)c2c1 587639007 MJUGKUMVBNMUQZ-OAHLLOKOSA-N 413.359 5.948 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)cnc2Cl)N1 587715030 QXRCTQPYXSGNLW-NXSYQRQQSA-N 423.635 5.279 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(OC(F)(F)F)c2)N1 587718614 JBSYYPMWNKZQSZ-PWJLMRLQSA-N 422.191 5.250 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2OCC2CC2)N1 587727887 PTZHSJVPRKJYPC-YBTHPKLGSA-N 408.286 5.140 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC2CCCCC2)(c2ncccn2)N1 587771754 CREPWJMKCGPQQK-QKKBWIMNSA-N 418.354 5.126 0 1 HKAF CCCC[C@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 587835856 QYDZMTOEBACXHW-LRTDBIEQSA-N 420.322 5.285 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccccc3)s2)N1 587850538 ZSNOWZWBGZMKIA-YEJXKQKISA-N 416.359 6.114 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccccc1OC(F)(F)F 587854533 GKOUJTCNAPAULG-UHFFFAOYSA-N 417.214 6.143 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1C[C@@H]1c1ccccc1 587859220 SSZDNMKDWKQDOA-HZPDHXFCSA-N 401.293 5.700 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C(F)(F)F)cc(C)n1 587861560 USQWXUKKNCUYIA-UHFFFAOYSA-N 401.310 5.289 0 1 HKAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c2)c1 587932884 RHGXZAXLFPFLKT-UHFFFAOYSA-N 408.457 6.403 0 1 HKAF COc1ccc2c(c1OC)[C@@H](c1ccccc1Oc1ccccc1C=O)N(C)[C@@H](C)C2 962560631 CYLBJJBBVVXIIG-SSOJOUAXSA-N 417.505 5.274 0 1 HKAF COc1cc2c(cc1OC)[C@@H](c1nc(-c3ccc(Cl)cc3)cs1)N(C)[C@H](C)C2 962626602 FXCVJCPNQPUCJW-ASSNKEHSSA-N 414.958 5.447 0 1 HKAF Clc1ccc2[nH]cc([C@@H]3c4ccccc4C[C@@H]4CN(c5ccccc5)CCN34)c2c1 962629938 CWODILPAARHZKF-RLWLMLJZSA-N 413.952 5.658 0 1 HKAF C[C@]1(c2c[nH]c3ccc(Cl)cc23)c2cccc(F)c2CCN1[C@@H]1CCSC1 962699416 HSUXVFVTHBKKDN-IVZQSRNASA-N 400.950 5.588 0 1 HKAF CC(C)(C)C[C@@]1(c2cc(F)cc(F)c2)c2ccsc2CCN1Cc1cccnc1 963006218 IOSNHRBKMNFMJP-XMMPIXPASA-N 412.549 6.159 0 1 HKAF O=C(O)[C@@H]1CCC[C@H]1C[C@]1(c2ccccc2F)c2ccc(F)cc2C[C@@H]2CCCN21 963110333 QTXCGEJTTWIPPL-USLSNGCWSA-N 411.492 5.120 0 1 HKAF Cc1nn(-c2ccccc2)c(N2CCCC2)c1[C@H]1c2c(F)cccc2C[C@@H]2CCCN21 963111480 SBJLSLUGNHTMCI-OFVILXPXSA-N 416.544 5.030 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cccc(OC)c1OCc1ccccc1C 963244905 XUBRGQGJTMOALX-JIPXPUAJSA-N 415.577 6.329 0 1 HKAF COc1ccc(CNC(=O)c2cc(C(F)(F)F)ccc2NC2CCCCC2)cc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c5ccc(O)cc5C[C@H]4[C@@]3(C)CC[C@@H]21 2356739457 BNRLGSUWUGMYKJ-NDHSFGBCSA-N 410.598 6.314 0 1 HKAF CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 4207456 RETFWNYIZMOUJZ-GGAORHGYSA-N 406.913 5.501 0 1 HKAF O=c1ccc(-c2ccc(Cl)c(Cl)c2)cn1[C@@H](CN1CCCC1)c1ccccc1 13436717 KNGWWTVKCJNCAM-QFIPXVFZSA-N 413.348 5.507 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)n2nc(-c3ccccc3)c(-c3ccccc3)c2n1 13585042 HYFXEOAKIIPSHL-UHFFFAOYSA-N 407.317 6.101 0 1 HKAF CC[C@H]1C(c2ccc(C(C)=O)c(C(C)=O)c2)=C(C)c2cc(C(C)=O)c(C(C)=O)cc21 27876091 NOZVHGVBDMPFJF-LJQANCHMSA-N 402.490 5.935 0 1 HKAF CCCN1C(=O)c2ccccc2[C@@]1(OCc1ccc(C(C)(C)C)cc1)c1ccccc1 28120787 RPWQKLPFOILBFQ-NDEPHWFRSA-N 413.561 6.268 0 1 HKAF CC1=C(C[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)[C@H]1C(C)C 34175417 POTOXHDOALIWIW-ILNPWCGRSA-N 410.686 7.555 0 1 HKAF Cc1cc2c(c(S)n1)C(=O)O/C2=C\c1cc2cc(OCc3ccccc3)ccc2[nH]1 40392068 PDVIPOCZKCQNHT-MTJSOVHGSA-N 414.486 5.408 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)[C@@H](C)CN(C)C)c4)cc3)nc12 45302560 XMIBGIJDWGWPJL-SFHVURJKSA-N 412.537 5.342 0 1 HKAF Cc1ccc(O[C@@H](CCN2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1 49109788 HSSKUHYKFYVFRR-SANMLTNESA-N 420.984 5.981 0 1 HKAF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc(F)cc2)C1 82140486 QRFBWYNCVYCNRW-QZTJIDSGSA-N 424.564 5.393 0 1 HKAF CCN(C)c1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccccc2C)n1 82177761 BEJGAZLTBHCZBH-UHFFFAOYSA-N 416.550 5.707 0 1 HKAF COc1cccc(OC)c1[C@@H]1CC(C)(C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 98176927 VPGPPMRVNAKTHY-INIZCTEOSA-N 423.431 5.102 0 1 HKAF c1ccc(-n2cc[n+]3c2[C@@H]2c4ccccc4[C@@H]3CC2(c2ccoc2)c2ccoc2)cc1 100726749 WGDONZLYAXXXOL-DQEYMECFSA-N 405.477 5.376 0 1 HKAF COC(=O)[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccc(Cl)s2)s1 100969925 ULKBAZWILNDSNA-UBRYJFNESA-N 405.972 5.169 0 1 HKAF CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1 103229139 HUKBGZTWMMNBDO-UHFFFAOYSA-N 418.213 5.806 0 1 HKAF OC1=C2C(=Nc3c(ccc4ncccc34)[C@H]2c2cccc(O)c2)C[C@@H](c2ccccc2)C1 104052469 UBLHFOLGJWTXGU-NIYFSFCBSA-N 418.496 6.548 0 1 HKAF CC1=C(O)/C(=C\[C@@H](C)CC/C=C(\C)CCCc2coc(Cc3ccoc3)c2)OC1=O 105372499 YIWFEASCLZQHBJ-JNGXPILQSA-N 410.510 6.421 0 1 HKAF CCN(CC)CCOc1ccc2sc3ccc(OCCN(CC)CC)cc3c2c1 117143668 BDUXUAHPCGUYPN-UHFFFAOYSA-N 414.615 5.496 0 1 HKAF C[C@@H]1[C@@H]2CC[C@H]3[C@@H]4CC=C(c5cncc(C(F)F)c5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC[C@H]1O 142284239 RBGBTXNNGSQRNJ-IZERXHABSA-N 415.568 6.662 0 1 HKAF Clc1ccc(Sc2oc(C3CCOCC3)nc2-c2cnc3cc[nH]c3c2)cc1 147103140 ZRRPHUGYHHONQY-UHFFFAOYSA-N 411.914 5.917 0 1 HKAF CCCCN(CCCC)C[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2sccc12 169336063 HLLIZPAEFQELBK-OAQYLSRUSA-N 424.437 7.297 0 1 HKAF CC(C)Cc1ccc([C@@H](C)C(=O)Oc2ccc(-c3cc(=S)ss3)cc2)cc1 224767846 HZLSKDUFCSAUBV-OAHLLOKOSA-N 414.617 7.114 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(C)=CCC[C@H]4[C@]3(C)CC[C@@]12C 255271723 UNAJOTIVDWEYQR-CTTPYJCGSA-N 410.730 9.364 0 1 HKAF COc1ccc(CNCCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1 299830365 IJLLPMWYMDZZLL-UHFFFAOYSA-N 402.513 5.891 0 1 HKAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c2)cc1 586878992 CHYAMLMJHHWMQH-UHFFFAOYSA-N 412.436 6.711 0 1 HKAF CCc1oc2ccccc2c1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586904766 ZMALSMUBDVORLQ-UHFFFAOYSA-N 409.205 6.320 0 1 HKAF Fc1cc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2cc1F 586999342 ZXVNPBTWNXCEDO-UHFFFAOYSA-N 415.237 5.850 0 1 HKAF Fc1c(Br)cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1F 587021648 NGQSQYLAPOUOMV-UHFFFAOYSA-N 406.255 5.318 0 1 HKAF COC(=O)c1ccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2c1OC 587050827 UFXFUXLZIRXUSM-UHFFFAOYSA-N 420.852 5.158 0 1 HKAF CCCOc1cc2[nH]c(C(=O)Nc3ccccc3Cl)nc2cc1Br 587060309 KVTSSQUXNHDVML-UHFFFAOYSA-N 408.683 5.020 0 1 HKAF Fc1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c(F)c1F 587068382 UHRIFPUVOPIMFZ-UHFFFAOYSA-N 414.774 5.746 0 1 HKAF Cc1ccc(-c2cc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c3cccc(Cl)c3n2)o1 587082692 BLJZONRDPHLGSJ-UHFFFAOYSA-N 415.840 5.582 0 1 HKAF FC(F)(F)[C@@](F)(Cl)c1nc2c(Br)ccc(Br)c2[nH]1 587089423 CVZDISYMVPBUHY-MRVPVSSYSA-N 410.390 5.011 0 1 HKAF COC(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1OC 587095459 ZTULUHZXDMYTQM-UHFFFAOYSA-N 418.293 5.063 0 1 HKAF CCCOc1cc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2cc1Br 587097799 NSOONLOISMYNKZ-UHFFFAOYSA-N 417.200 5.939 0 1 HKAF Fc1c(F)c(F)c(/C=C\c2nc3cccc(OCc4ccccc4)c3[nH]2)c(F)c1F 587134748 OBDRJNZKMINQSS-KTKRTIGZSA-N 416.349 6.008 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@H]4c4cccc(F)c4F)[nH]c3c2)cc1 587153009 UQOGUUNCYOESBE-ZWKOTPCHSA-N 420.415 5.691 0 1 HKAF COc1cc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c2cc1Cl 587197818 PIZNDKYYFMDWNN-IBGZPJMESA-N 401.894 5.191 0 1 HKAF Cc1nc2cccc3c2c(c1Cc1ccc(OC[C@H]2CO2)cc1)-c1ccccc1C3=O 587209701 SFUMHBHLTPGHHU-IBGZPJMESA-N 407.469 5.123 0 1 HKAF C[C@]1(c2cc(F)cc(F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334003 OUCNTHZUWAJRRT-DENIHFKCSA-N 402.343 5.223 0 1 HKAF Cc1c(C)c(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1C 587349765 CPFIIRKIFYPJEG-BDYUSTAISA-N 418.508 6.348 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)CCc3ccc(Br)cc31)O2 587370686 HJJGEZUUVUQTFN-GTJPDFRWSA-N 400.316 5.173 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(-c3ccc(Cl)cc3Cl)cs1)O2 587413101 MEJACSZFAXCPMR-QGZVFWFLSA-N 405.306 5.714 0 1 HKAF CCCc1sc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Br 587454422 YKEYPTXRSMDRDA-BLVKFPJESA-N 407.329 5.135 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Oc3ccc(Cl)cc3)cc1)CC2=O 587461347 KAZMNXWDZMJUMS-VWLOTQADSA-N 422.908 6.671 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCc3nc(-c4ccccc4F)sc31)CC2=O 587466179 JDZJYSLRUSBINZ-XMMPIXPASA-N 423.509 5.804 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OC/C=C\c1ccccc1)CC2=O 587477054 DPTBCOPEYIDORH-RFVXKRILSA-N 414.501 6.143 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(C)(C)C)C[C@@H]1C(=O)OCC)CC2=O 587477851 HODFIGOFTDZFFP-HGDBAGAISA-N 402.531 5.074 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccccc3)nc3cc(C)ccn13)CC2=O 587492899 YJMHGHIGPFAKQL-QFIPXVFZSA-N 412.489 5.674 0 1 HKAF O=C1C[C@@H](c2cc(I)ccc2F)Oc2c1ccc1c2CCCC1 587507693 RUQZOAHMTSVSLO-SFHVURJKSA-N 422.237 5.016 0 1 HKAF CC(C)Oc1ccc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545121 GUTZVLQGXFXWCR-REWPJTCUSA-N 410.853 5.536 0 1 HKAF CCCCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599523 GKAOVJBILWEKCO-BVAGGSTKSA-N 402.490 6.220 0 1 HKAF CCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC 587599589 XZLUBTBVVAIJDE-WIOPSUGQSA-N 420.461 5.067 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C1CCCCC1 587604602 XHLIDBMMQUTHGC-JYFHCDHNSA-N 400.474 5.830 0 1 HKAF CCc1c(-c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[nH]c2c(C)cc(Cl)cc12 587623293 DVRKGDKNHQFOQL-UHFFFAOYSA-N 404.124 6.240 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C(=C\N(C)C)c2ccc(Cl)cc2)N1 587695640 BYGQHYWQRWDWCF-BCLODKLSSA-N 423.757 5.420 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)ccc2F)N1 587711011 IOJPLHCJKUZUBC-PWJLMRLQSA-N 406.192 5.370 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(C(F)(F)F)cc32)N1 587711924 JDHFHBYGJXKTOF-XTZNXHDOSA-N 414.240 5.331 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)c(Cl)cc2F)N1 587722504 RZKBUKYCGBOJEC-RBHXEPJQSA-N 404.657 5.318 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2Br)N1 587729592 WCLIOKBUIDMOHB-PWJLMRLQSA-N 417.091 5.113 0 1 HKAF CC(C)c1nn(C(C)(C)C)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587763261 IPDFALJCGYQWOD-BUXKBTBVSA-N 408.359 5.287 0 1 HKAF CCc1ccc(-c2c[nH]nc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587791488 FZAGQIPKUBGMRK-QKVFXAPYSA-N 414.322 5.164 0 1 HKAF CCOC(OCC)c1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587795589 RCTMESWDOQHCOX-RNODOKPDSA-N 422.338 5.283 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)[nH]c2ccccc23)N1 587806817 VYBVSIQNVWMIIA-ZAMGYDSWSA-N 423.329 6.020 0 1 HKAF COc1ccc2cccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587812379 ZTMYSXZSYQHIMC-DMZKTXOQSA-N 414.318 5.548 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2C(=O)c2ccccc2)N1 587823159 OOQYESGQTKPIOP-SRVWHDFXSA-N 416.334 5.391 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(Cc3nc4ccccc4[nH]3)n2)cc1 587922557 FDNHONFVEIGUHB-UHFFFAOYSA-N 424.504 6.565 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(C[C@@H](C)c4cccc(OC)c4)[nH]c3c2)cc1 587930027 FPMOPJHYGLLLBJ-MRXNPFEDSA-N 416.477 5.497 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(O)cc(-c4cccc(OC)c4)c3)nc2c1 587932993 IMAZNSUYGARXOB-UHFFFAOYSA-N 408.841 5.051 0 1 HKAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 587932997 IMGALZWUQHIULD-FQEVSTJZSA-N 414.452 6.364 0 1 HKAF COc1ccc2c([C@]3(C)c4c(ccc(OC)c4OC)C[C@@H](C)N3C)c(OC)ccc2c1 962626604 MOFUUMGNBNSBRB-DXPJPUQTSA-N 421.537 5.014 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccccc2)(c2ccc(OC(C)=O)cc2)N1 962949636 QCQUTZJAKRXJSC-JIPXPUAJSA-N 410.517 5.309 0 1 HKAF CC[C@@H](C)C[C@@]1(c2ncco2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962963234 WMBKKTXFHUJAIQ-QVKFZJNVSA-N 408.464 5.025 0 1 HKAF Cc1cc([C@]2(c3cc(Cl)cc(Cl)c3)NCCc3c2sc(C)c3C)ccc1F 963013720 SBZDZVBLGJKCRX-JOCHJYFZSA-N 420.380 6.557 0 1 HKAF CC[C@H](C)C[C@@]1(CC)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccccc1N 963159061 PKGQFNLAIIOPBI-GKVSMKOHSA-N 410.558 5.026 0 1 HKAF COc1c(F)cc(F)cc1-c1cc(Cl)cc([C@@H](CC(=O)O)c2ncc(C)s2)c1 1772593151 OCDPYKSXEIVPPA-MRXNPFEDSA-N 423.868 5.665 0 1 HKAF COC(=O)c1scc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)c1OC 1772642140 USVUTKASBNLHNL-UHFFFAOYSA-N 417.486 5.616 0 1 HKAF CCC/C=C/C[C@H]1CC=CC=C(C)C=CC=C[C@H](O)CC=C(C)C=CC=CC(=O)N1 1857627552 UMYFIUGQWGBKLX-BFYRVOHOSA-N 407.598 6.046 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](COC(=O)CCC(=O)O)[C@@]2(C)CCc1ccoc1 2356382297 VMJXBULAZAIARU-HBUYNFGHSA-N 402.531 5.399 0 1 HKAF Cc1cc(O)cc2c1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]3[C@H](C[C@H]12)O[C@]1(CC[C@H](C)CO1)[C@H]3C 2356436613 SOJHOFMFPXJBPI-WOIHXZDXSA-N 410.598 5.961 0 1 HKAF COc1cc(C=CC(=O)O[C@@H]2CC(C)=CCCC(C)=C[C@H](O)[C@H]2C(C)C)ccc1O 2356740983 ZRZPYTZFTKLERY-QQKQFIJSSA-N 414.542 5.035 0 1 HKAF Cn1c(NCc2ccccc2)nc2cnc(-c3cccc(Oc4ccccc4)c3)cc21 82082818 OWVCWYSKAFXCBD-UHFFFAOYSA-N 406.489 6.040 0 3 HKAF Brc1ccc2c(c1)[C@@H]1[C@@H](CO2)C(c2ccccc2)=NN1c1ccccc1 5823923 AHEUPDMAZMYINJ-SIKLNZKXSA-N 405.295 5.423 0 1 HKAF C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccccc1F 13560779 ULFZFOCFNUNNOQ-ZODMCCGTSA-N 406.476 5.630 0 1 HKAF CCCCCN(CCCCC)C(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12 13833108 HOKIHOYEWVXNGX-UHFFFAOYSA-N 408.561 6.726 0 1 HKAF O=C(CCN1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(Br)cc1 13834232 BGRWHVFEYKSPFE-UHFFFAOYSA-N 404.735 5.465 0 1 HKAF O=C(c1ccc(Cl)cc1)N1CCc2c(n(Cc3ccc(O)cc3)c3ccccc23)C1 14946243 YZMKFGOLGVQGGS-UHFFFAOYSA-N 416.908 5.247 0 1 HKAF CC(C)=CC[C@@H]1Cc2c(cc(O)c3c2O[C@H](c2c(O)cccc2O)CC3=O)OC1(C)C 15212609 VFMQTYFXQGAJKJ-SZNDQCEHSA-N 424.493 5.196 0 1 HKAF biogenic CC(C)SCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 26003852 ABMKCJQMQXHKCT-VDKGPWSZSA-N 404.704 7.094 0 1 HKAF CCCC[C@H](CC)C(=O)Nc1ccc2ccn(Cc3cccc(C(=O)O)c3OC)c2c1 26492885 VHEVDFRKPVZSAN-KRWDZBQOSA-N 422.525 5.551 0 1 HKAF O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCc2ccccc2C1 28826689 PBSHEWQCFOUJCY-UHFFFAOYSA-N 414.383 5.450 0 1 HKAF CC1=C[C@@H]([C@@H]2Oc3c(F)cc(F)cc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)CCC1 34010966 NNEGFNICKYKFDF-FYSMJZIKSA-N 407.504 7.419 0 1 HKAF N=C(N)c1ccc2cc(-c3ccc(OCCCCOc4ccccc4)cc3)oc2c1 43015880 CMMGUCBHKBEBAW-UHFFFAOYSA-N 400.478 5.622 0 1 HKAF COc1cc2nc(C)nc(Nc3ccc4c(ccn4Cc4ccccc4)c3)c2cc1OC 45202153 HMJAGNMKEQLYFV-UHFFFAOYSA-N 424.504 5.702 0 1 HKAF COc1ccccc1CNc1cc(Oc2ccc(C(=O)c3ccccc3)cc2)ncn1 82068304 DVYHSYGSBNYFDT-UHFFFAOYSA-N 411.461 5.121 0 1 HKAF CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCC2CC2)nc1-c1ccccc1F 82159973 SJDIXHPGYJTGPO-UHFFFAOYSA-N 418.516 5.075 0 1 HKAF Cc1cccc(-c2nc(NCCc3cccc(F)c3)ncc2-c2nc(C)c(C)o2)c1 82173638 OIBPNGZQHWZSCJ-UHFFFAOYSA-N 402.473 5.518 0 1 HKAF Cc1cc(F)c(NC(=O)c2ccsc2)cc1Nc1ccc2c(c1)CCCCC2=O 95579732 SHTDCCVQAQBELX-UHFFFAOYSA-N 408.498 6.101 0 1 HKAF COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3[nH]nc(-c4ccc(C)cc4)c32)cc1 103888708 DXKZOIGVAHSNQK-NRFANRHFSA-N 413.521 6.244 0 1 HKAF Cc1c(F)ccc2[nH]c(-c3cnc(NCCCC4CCN(C)CC4)nc3C(C)C)nc12 138993899 HGFVXRFLCSVTRB-UHFFFAOYSA-N 424.568 5.125 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cc(-c2ccccc2)ccn1 167768172 ZKGNZWCAJMKJBM-OAQYLSRUSA-N 402.494 5.020 0 1 HKAF CCCCC1([C@H](O)/C=C/[C@@H]2CCC(=O)[C@@H]2C/C=C\CCCC(=O)OCC)CCC1 169315184 QSDNDUMQMPXQRC-ZZYYESIHSA-N 404.591 5.539 0 1 HKAF CCOP(=O)(Cc1ccc(Nc2cc(-c3cccc(N)c3)ncn2)cc1)OCC 169346757 DZFVHIRRFAADID-UHFFFAOYSA-N 412.430 5.236 0 1 HKAF CC[C@H](C)c1cc(/C=C/c2ccccc2)cc([C@H](C)CC)c1OC[C@H](O)CNC(C)C 221650024 VSILICXEBYOFHJ-IVQMENBXSA-N 423.641 6.622 0 1 HKAF O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccccc1NC(=O)C1CCCCC1 224972112 CVJJOMLWMFYXTL-UHFFFAOYSA-N 408.395 5.616 0 1 HKAF C[C@H]([C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C 255262489 RJNWIZNQHVCLDL-OOMDCDEFSA-N 414.722 6.306 0 1 HKAF Cc1ccc2ccccc2c1-c1nc2c(Br)cnc(Br)c2[nH]1 586884306 SVOHYUMUVXGTFK-UHFFFAOYSA-N 417.104 5.612 0 1 HKAF CCCC(Br)(CCC)c1nc2cc(Br)cc(Cl)c2[nH]1 586970267 CRZONUGEFUHUQO-UHFFFAOYSA-N 408.565 6.169 0 1 HKAF COc1cc(/C=C/c2nc3ccc(OC(C)C)cc3[nH]2)cc(Cl)c1OCC(C)C 587046664 JDPMMLGJSHLUTD-RMKNXTFCSA-N 414.933 6.217 0 1 HKAF Clc1cccc(COc2ccc(/C=C\c3nc4cc5c(cc4[nH]3)OCO5)cc2)c1 587070430 ITIBKRFWGUEFHY-TWGQIWQCSA-N 404.853 5.694 0 1 HKAF CCCOc1cc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1Br 587070582 QSWLDDRZRYORGD-ZDUSSCGKSA-N 422.754 5.053 0 1 HKAF Cc1ccc2c3c(cc(-c4cccc(Oc5ccccc5)c4)nc13)-c1ccccc1C2=O 587099409 HOVHGSIBSSNACX-UHFFFAOYSA-N 413.476 7.214 0 1 HKAF CCN1/C(=C/c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)Sc2ccccc21 587101671 JHYZMXFFEOYQPE-IWIPYMOSSA-N 420.537 6.685 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 587115929 FRCOLHYFMFMXCF-UHFFFAOYSA-N 418.378 5.423 0 1 HKAF O=C(O)c1ccc(-c2cc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)ccc2F)cc1F 587138379 GUVRXUZSQWEDNM-UHFFFAOYSA-N 420.202 5.575 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cccc(Br)c4[nH]3)c(F)c2)c(F)c1 587148490 IQYBYOQCYKVKKW-UHFFFAOYSA-N 415.237 5.946 0 1 HKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)cc1 587158877 RNIJYTUZZWOURM-UHFFFAOYSA-N 418.777 6.521 0 1 HKAF Fc1ccc(-n2nnc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2C2CC2)cc1 587167768 CTBXPBPWNFJSQM-UHFFFAOYSA-N 421.785 5.499 0 1 HKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 587240626 GTEVSLHDPPXZET-UHFFFAOYSA-N 420.516 6.965 0 1 HKAF CC(C)[C@@]1(c2cc(F)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337804 VWRBCCHFMPDPIM-VWNXMTODSA-N 412.407 5.720 0 1 HKAF CC(C)C[C@@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350708 FCWWGKZHZVWJMZ-RSXGOPAZSA-N 404.481 5.918 0 1 HKAF COC(=O)C[C@@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)[C@@H]1C 587362937 MWWHTIGNQOPXIL-ZBFHGGJFSA-N 401.462 5.496 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4ccc(C)cc4Cl)cc1)[C@@H](C2)C3=O 587419963 FZYOBJAOTNAVSQ-NBGIEHNGSA-N 404.893 5.987 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(C)c(C)c4)nc4c(C)cccn14)[C@@H](C2)C3=O 587436069 NABXWUGNQMHIGY-RXFWQSSRSA-N 424.500 5.424 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCCc3ccc(Br)cc31)CC2=O 587458777 UHRPIARDYCHZJY-QFIPXVFZSA-N 415.327 5.694 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc(C=O)cc3)cc1)CC2=O 587476209 FJJIRQZERVZCLU-XMMPIXPASA-N 402.446 5.656 0 1 HKAF O=C1C[C@@H](c2cc(Cl)ccc2OC[C@@H]2CCCO2)Oc2c1ccc1c2CCCC1 587498191 DBHHFDMEEKFNKU-SBUREZEXSA-N 412.913 5.483 0 1 HKAF Cc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(OCc2ccccc2)c1 587527877 ZDOOCJLQUBRDHD-NDEPHWFRSA-N 412.529 6.333 0 1 HKAF Cc1c(F)cccc1-c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587714769 BKNFQXPULGWVCE-MQJDWESPSA-N 418.281 5.919 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)c(Cl)cc2Cl)N1 587722933 UPAUXLXONQWOKW-QPFGOUBPSA-N 421.112 5.832 0 1 HKAF Cc1cc(F)ccc1N1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587730071 IJNGJTBUBYATAQ-CQSZACIVSA-N 421.329 5.066 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(Cc3ccccc3)C(C)(C)C2)N1 587762960 VWZDTFDEJDYHLG-IVZQSRNASA-N 417.366 5.002 0 1 HKAF CC(C)c1ccc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1 587806187 VMKCYJFIYXPLPB-GTJPDFRWSA-N 401.323 5.817 0 1 HKAF COc1ccc(C(C)(C)C)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587810989 YSZXXTDDIUJXAI-ODXCJYRJSA-N 406.339 5.518 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC2(O)CCCCC2)(C(C)(C)C)N1 587822515 OOYBSTMLNYSNKW-QKKBWIMNSA-N 412.387 5.449 0 1 HKAF COc1cc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2cc1F 587949483 UTQMUYHZGRHOIL-ZMPRRUGASA-N 424.516 5.995 0 1 HKAF COc1cc2c(cc1OC)[C@](c1cccc(F)c1)(c1ccccc1OC)N(C)[C@H](C)C2 962623179 JYIHNLMFQPSUJI-QUGAMOGWSA-N 421.512 5.020 0 1 HKAF C[C@@]1(c2c(Br)ccc(Cl)c2F)NCCc2c(Cl)cc(Cl)cc21 963114115 WMWCKGWAUGYMQA-MRXNPFEDSA-N 423.540 5.958 0 1 HKAF Cc1ccc(CC[C@@]2(c3ccccc3F)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963118208 ZAQYHNZDGOHZTG-HOFKKMOUSA-N 403.516 6.170 0 1 HKAF Clc1cc(Cl)cc(CCN2CCC[C@H](c3nc4ccc(Cl)nc4[nH]3)C2)c1 1772637668 UOUCBDPVUVOBCP-ZDUSSCGKSA-N 409.748 5.340 0 1 HKAF COc1ccc(CSc2nc3ccc(C)cc3c(=O)n2Cc2ccccc2)cc1 1772642727 PQYUOPMFWZOSEI-UHFFFAOYSA-N 402.519 5.054 0 1 HKAF Cc1cc(C(=O)Nc2nn(Cc3ccc(Cl)cc3Cl)c3ccccc23)ccn1 1772645725 FYXIUXXJULILPR-UHFFFAOYSA-N 411.292 5.347 0 1 HKAF CC(=O)c1ccc(-c2ccc3ncc4nnn([C@@H](C)c5ccc(F)cc5)c4c3c2)s1 1772647912 GQCCZDULCKMJJX-ZDUSSCGKSA-N 416.481 5.659 0 1 HKAF C[C@@H](NC(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccccc1)c1ccccc1 1857759807 GIRKEDURQNIFEH-IIBYNOLFSA-N 407.901 5.080 0 1 HKAF CCC(CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)=C(C)C 2356539004 YYLFLRIUDMIWTD-XAPRCGGASA-N 412.702 8.089 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]45C[C@H](O)CC[C@@]4(C5)C3=CC[C@]12C)C(C)C 2356629790 QECYIHDHCKWWPU-BDGOHRLLSA-N 424.713 7.945 0 1 HKAF C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H](CC[C@@H]4[C@@H]3CC[C@@H]3CC(=O)CC[C@]34C)[C@@H]1[C@H]2C 2356772929 MKSOVCGCFFZGER-QTWJMHHHSA-N 400.603 5.612 0 1 HKAF CCOc1ccccc1-c1onc(-c2ccc(OC)cc2)c1C(=O)NC1CCCCC1 773893 XZFMDOQZGLIVML-UHFFFAOYSA-N 420.509 5.478 0 1 HKAF CCOC(=O)c1cc(C)n(CC2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)c1C 6941972 AWPYYXFTEVQPDT-UHFFFAOYSA-N 416.949 5.380 0 1 HKAF CCCCOc1c(/C(C)=C(F)\C=C\C(C)=C\C(=O)O)cc(C(C)C)cc1C(C)C 13587533 ITYAECDCSRCTFW-VPQGWKRMSA-N 402.550 7.400 0 1 HKAF CC(C)=CCOc1ccc(-c2coc3cc4c(c(O)c3c2=O)C=CC(C)(C)O4)cc1O 14557819 NOETZZITHRSTGU-UHFFFAOYSA-N 420.461 5.400 0 1 HKAF biogenic COc1ccccc1-c1ccc2c(c1)C(CSCCc1ccccc1)=CC(C)(C)N2 14968674 LRGXRETVCQTMNN-UHFFFAOYSA-N 415.602 6.926 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CCC4=C(CCC(C(=O)O)=C4)[C@@H]3CC[C@]12C)C(C)C 28021716 RCMWHBBFUREBAM-CDLJBUGBSA-N 413.602 5.586 0 1 HKAF CC[C@]1(CCCCN2CC=C(c3ccc(Cl)cc3)CC2)C(=O)Nc2ccccc21 29054852 BEVYRGDFSYRITQ-RUZDIDTESA-N 408.973 5.900 0 1 HKAF COc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1O[C@H]1C[C@H]2CC[C@@H]1C2 29463031 JITWRUMFYWXWGT-JCGVRSQUSA-N 406.309 5.822 0 1 HKAF CC(=O)N1CCn2c(c(C3CCCCC3)c3ccc(C(=O)O)cc32)-c2ccccc21 36350483 IVVJLYCUIHERAK-UHFFFAOYSA-N 402.494 5.421 0 1 HKAF CN(C)CCN(C)Cc1ccc(-c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 45194031 KINTUCZYLNLQJR-UHFFFAOYSA-N 421.972 5.253 0 1 HKAF C[C@@H](Nc1cc(-c2nc3ccccc3nc2-c2ccc(F)cc2)ccn1)c1ccccc1 45245826 YIBRZORKBYKTCE-GOSISDBHSA-N 420.491 6.671 0 1 HKAF O=C(CCN1CCC(c2ccccc2)CC1)N[C@@H](c1ccc(Cl)cc1)C(F)F 73224788 HFGYUSWPDIQUCY-NRFANRHFSA-N 406.904 5.032 0 1 HKAF Cn1c(NC[C@@H]2CCCO2)nc2cnc(Nc3ccc(Oc4ccccc4)cc3)cc21 82081975 PFEHGVISZUIPGJ-FQEVSTJZSA-N 415.497 5.095 0 1 HKAF COc1ccc([C@](CC[C@@H](N)C(F)(F)F)(c2ccccc2)c2ccc(C)cc2)cc1 95582174 QHJRJXGAXVKUON-DNQXCXABSA-N 413.483 6.008 0 1 HKAF Cc1ccc([C@H](CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c2c(O)ccc3ccccc23)cc1 95594370 NDXFAXFPWSKNFC-ROKPMTFOSA-N 401.550 5.880 0 1 HKAF Nc1nccn2c(C3CCC3)nc(-c3ccc(C(=O)c4ccccc4)cc3Cl)c12 96168113 VETRLGPHIGQYQX-UHFFFAOYSA-N 402.885 5.130 0 1 HKAF CC(C)(C)C(=O)Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 96173974 DIYDXSGWJUCAFT-UHFFFAOYSA-N 409.493 5.211 0 1 HKAF O=C(Oc1ccccc1)[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(Cl)c(Cl)c1)CN32 100809665 BTRDJLBCRUKQNT-ZYGPCGEZSA-N 414.332 5.465 0 1 HKAF Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)N5CCN(c6ccccc6)CC5)(C4)C2)C3)cc1 101114198 PFMKYYGUQHFMAF-UYTMDOHCSA-N 414.593 5.182 0 1 HKAF CC1(C)CC2=Nc3nn(-c4ccccc4)c(O)c3[C@@H](c3ccc(O)cc3)C2=C(O)C1 103686656 DMYUAHFHTFZLCN-IBGZPJMESA-N 401.466 5.134 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CN2 118936877 VCYNHQOAZQMPOJ-SJZQINDMSA-N 413.646 5.575 0 1 HKAF endogenous,in-man N=C(N)c1ccc2cc([C@H]3C[C@H]3c3ccc4c(c3)C(C3CCCCC3)=NCC4)ccc2c1 137518686 OOFRCFJPOZMMHV-FTJBHMTQSA-N 421.588 6.320 0 1 HKAF Cc1ccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4n3C)cc2)cn1 139702203 JWJJMYWOWKDRSN-UHFFFAOYSA-N 407.477 5.875 0 1 HKAF Cc1ccc(-c2nccnc2O[C@H]2C[C@@H](Nc3nc4ccccc4s3)C2)cc1F 144884897 RQZHGPXKVUMNFF-WKILWMFISA-N 406.486 5.223 0 1 HKAF COC(=O)[C@H]1[C@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(C)cc2)cc1)C3 253855603 VRRMSKNGCUBGOY-DNTGIJPASA-N 401.550 5.339 0 1 HKAF CC[C@H](/C=C\[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C)C(C)C 255214607 HCXVJBMSMIARIN-GJKICMMPSA-N 412.702 7.801 0 1 HKAF Clc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccc(Cl)cc3[nH]2)cc1 473111978 CEMFSSWBEFPNHE-UHFFFAOYSA-N 405.288 6.389 0 1 HKAF CCN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1 473129104 GAUIJIDPRCXNSO-UHFFFAOYSA-N 407.554 5.871 0 1 HKAF CCOC(=O)C(F)(F)[C@@H]1CCCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 586994002 UAPPSQOEYSTMCI-QGZVFWFLSA-N 421.443 5.373 0 1 HKAF N[C@H](Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1ccc(Br)cc1 586997009 LFDXECUZKCSCBU-GFCCVEGCSA-N 418.644 5.240 0 1 HKAF Cc1cc2c(Br)ccc(-c3nc4cc(Br)cnc4[nH]3)c2o1 587002653 CDBZLJWILICLMC-UHFFFAOYSA-N 407.065 5.205 0 1 HKAF Clc1c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)ccnc1Br 587006319 FDYHARFLSZRANR-UHFFFAOYSA-N 416.731 6.192 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(F)c(C)c3[nH]1)N2 587033628 ZDXBCCHNOZTXSD-DKTFCQPKSA-N 402.520 5.137 0 1 HKAF COC(=O)c1ccc(Oc2ccc3[nH]c(-c4cc5c(s4)CC[C@@H](C)C5)nc3c2)cc1 587034314 SGCYCSDJBFGHSU-CQSZACIVSA-N 418.518 5.995 0 1 HKAF CSc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(Cl)c1 587101221 DKIVGNMGAKWSBP-UHFFFAOYSA-N 401.918 6.797 0 1 HKAF Cc1ccc2c3c(cc(CCc4ccc(OC[C@H]5CO5)cc4)nc13)-c1ccccc1C2=O 587101761 PXEMIVXJVADQCJ-NRFANRHFSA-N 421.496 5.317 0 1 HKAF CC(C)(C)c1ccc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2c1 587138211 CCGILIBXXILWTN-UHFFFAOYSA-N 406.432 6.171 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cccc(C(C)(C)C)c4[nH]3)c(F)c2)c1 587146964 CYUFXPYALHFELM-UHFFFAOYSA-N 418.468 6.040 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)c1 587158580 OPYUNEPYMMSNAE-UHFFFAOYSA-N 402.256 5.670 0 1 HKAF CN(C)c1cc(F)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336612 QTWRQKWMTKHVAQ-LADGPHEKSA-N 409.432 5.011 0 1 HKAF CC[C@@]1(c2ccc3c(c2)CCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355892 GVKGGNVGNNRPNQ-RSXGOPAZSA-N 418.464 5.521 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccnc3cc(Br)ccc13)CC2=O 587460066 REFASCCTSVPPPR-HXUWFJFHSA-N 412.283 5.362 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(OC(F)F)c(OC)c1)CC2=O 587468002 VYDSHODREBHDDU-MRXNPFEDSA-N 412.816 5.315 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCc1cccc(C)c1)CC2=O 587477784 GVWVXQWQTCCMHW-RUZDIDTESA-N 402.490 5.939 0 1 HKAF O=C1C[C@@H](c2ccc(OC(F)F)c(OC(F)F)c2)Oc2c1ccc1c2CCCC1 587506171 MUHFENZGPPQPNZ-KRWDZBQOSA-N 410.363 5.475 0 1 HKAF O=C1C[C@H](c2c[nH]c3c(OCc4ccccc4)cccc23)Oc2c1ccc1c2CCCC1 587523013 GQAFDBDEODWKPN-AREMUKBSSA-N 423.512 6.332 0 1 HKAF C[C@]1(c2ccccc2OC(=O)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587526617 VWRSQPVJQBDARZ-HHHXNRCGSA-N 412.485 5.665 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCOc1c(Cl)cccc12 587554466 XUMCXEJQZKAYGO-WMZHIEFXSA-N 408.837 5.075 0 1 HKAF Cc1ccc(C(=O)c2c(C(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)s1 587622445 NFOFPGLNNMJAHH-UHFFFAOYSA-N 410.243 5.345 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(N3CCNCC3)c2c1 587638648 HJTZHARLVWSORR-HNNXBMFYSA-N 412.375 5.521 0 1 HKAF CC(C)(C)OC(=O)N1CCC[C@@H](c2[nH]c3c(C(=O)O)cccc3c2-c2ccccc2)C1 587638668 HZYICCXGPZKBFW-QGZVFWFLSA-N 420.509 5.648 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1Cc1ccc(F)cc1Cl 587655693 OFSWQKRCGHAZHX-UHFFFAOYSA-N 400.787 5.183 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c(F)cccc2F)(C(F)(F)F)N1 587701067 BTSMKAXJYDJITK-VPTHRUTESA-N 424.182 5.207 0 1 HKAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(F)(F)F 587712614 PSRWOIJEZJOEAV-XYZCENFISA-N 418.228 5.239 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(F)c3)cc2)N1 587734720 VENRCHNCNWGTPR-DMZKTXOQSA-N 414.293 6.018 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1CC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587810869 DKGOOIIYNJQHCN-ZDPZECHZSA-N 408.399 6.500 0 1 HKAF Cc1cccc([C@@H]2CC(=O)C[C@]3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)c1 587817102 IIWRMSIMAUCTDA-SRVWHDFXSA-N 416.334 5.163 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H](c3ccccc3)C2)N1 587819692 WRKNRPHKZFREKZ-ZDPZECHZSA-N 402.351 6.066 0 1 HKAF Fc1ccc2c(c1)-c1cc(n(C(=S)Nc3c(Cl)cc(Cl)cc3Cl)n1)O2 587875390 DOQVBKXXZYWYJF-UHFFFAOYSA-N 414.676 6.000 0 1 HKAF O=C1OCCN1CCc1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923038 MLFNMFWLYGFBNQ-UHFFFAOYSA-N 407.470 5.092 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c(O)c2)cc1OC 587927222 PTRJKRMYCNXFOB-UHFFFAOYSA-N 416.264 5.322 0 1 HKAF O=N[C@@H](COc1cc(F)cc(F)c1)n1c(-c2ccccc2)ccc1-c1ccccc1 587945836 RJDRPRSLDIAGFL-XMMPIXPASA-N 404.416 6.444 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(-c3cccc(F)c3)nc3sccn23)N1 962951786 UWSCNKHKSQRIAP-KSFYIVLOSA-N 416.525 5.697 0 1 HKAF C[C@]1([C@@H]2C[C@H]2c2cccs2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962953201 IERAYFXYJPSMEA-MDYRTPRTSA-N 407.501 5.437 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cc2ccc(Br)cc2s1 963233290 SYJSQTSZKHRKOK-SPLOXXLWSA-N 400.385 6.410 0 1 HKAF Fc1ccc(C2=NN(c3cccc(Cl)c3)[C@@H](c3cccc(Cl)c3Cl)C2)cc1 1772606564 PKACGQSIJVNFML-HXUWFJFHSA-N 419.714 7.142 0 1 HKAF O=C(O)c1ccc(C(F)F)c(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1 1772642838 VHPKEMALHUYIRO-UHFFFAOYSA-N 409.314 5.542 0 1 HKAF CC(=O)c1ccccc1OCc1nc2ccc(Oc3cc(C)c(N)c(C)c3)cc2n1C 1857536888 CPZGFPNXJPLOHD-UHFFFAOYSA-N 415.493 5.346 0 1 HKAF O=C(NCC1CCC(F)(F)CC1)c1c(Cl)ccc2nc(C3CCCC3)ccc12 1857616486 KMZJAZMJHPDDPI-UHFFFAOYSA-N 406.904 6.101 0 1 HKAF CC1=C(C(C)C)[C@@H]1C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356615457 HBUXJBGKOKXRBP-JZEQQDEZSA-N 410.686 7.555 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356663863 YECJZKKYJKAQCL-LDFGDBKHSA-N 414.718 8.169 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H]4O[C@@]3(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@@H]41 2356721203 XSBIAMRLXDVYMG-TZAOLXPESA-N 412.658 6.542 0 1 HKAF O=c1c(-c2cc(Cl)c(O)c(Cl)c2)coc2c(Cl)c(O)c(Cl)c(O)c12 2356816156 CYIDEAPFBHAADX-UHFFFAOYSA-N 408.020 5.190 0 1 HKAF COc1ccc(C(=O)Nc2ccc(O)c3c(=O)cc(-c4cccc(Cl)c4)oc23)cc1 13661146 CZRXCDWFZQKSBG-UHFFFAOYSA-N 421.836 5.080 0 3 HKAF CC(C)c1ccc(CN2CC[C@]2(C)C(=O)Nc2cccc(Oc3ccccc3)c2)cc1 61927256 BLWYCQKWXUTONH-HHHXNRCGSA-N 414.549 6.205 0 3 HKAF CCOc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccoc2)cc1 775277 OVCCHOMCVRGDIK-UHFFFAOYSA-N 420.440 5.112 0 1 HKAF CC1(C)C=C[C@]2(C)CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 14617315 DAYKSLOBCZJGHS-UZXSNVDGSA-N 424.713 7.945 0 1 HKAF endogenous,in-man CC(=O)O[C@H]1[C@H](OC(C)=O)/C(C(C)C)=C/C=C(/C)CC/C=C(/C)CC[C@@H]2O[C@]21C 14921782 SLZFGKPBZNIZNQ-WTLPIKCCSA-N 404.547 5.056 0 1 HKAF COCCOCCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C 25971899 XBCAKLNKDWECFN-VTNWRJELSA-N 402.575 5.724 0 1 HKAF CO[C@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2N(C)CCCC(C)C)C1 25990879 SIPYLDVEYNQDRT-LCNYHSBXSA-N 401.679 6.701 0 1 HKAF O=C(O)CCC/C=C/C[C@H]1[C@H](COCc2ccccc2)[C@@H]2C[C@@]1(c1ccccc1)CO2 26011005 ZREITZXFTXLALN-KNFGODMJSA-N 420.549 5.377 0 1 HKAF CC(C)c1sc2cc(O)ccc2c1Cc1ccc(OCCN2CCCCC2)cc1 26176939 IXLVUVCSSVPRGK-UHFFFAOYSA-N 409.595 6.186 0 1 HKAF CC[C@@]1(C[C@@](O)(Cc2cc3ccncc3[nH]2)C(F)(F)F)CCCc2ccccc21 28826154 LKWHUBUSWATGLU-VXKWHMMOSA-N 402.460 5.473 0 1 HKAF COc1ccc(C[C@H](c2ccccc2)N2CCN(C3CCCCCCC3)CC2)cc1 39233843 JXZKLGKBVMTRSO-HHHXNRCGSA-N 406.614 5.710 0 1 HKAF O=C(NCC1CCCCC1)c1cnc(NCC2CCCCC2)nc1-c1ccccc1 82132357 YHCOKIRDUPZXOQ-UHFFFAOYSA-N 406.574 5.446 0 1 HKAF O[C@@H](Cn1c2ccccc2c2ccccc21)[C@@H](O)CSc1ccc2ccccc2c1 84690384 RIYSVVFJTIFQHK-UIOOFZCWSA-N 413.542 5.462 0 1 HKAF Fc1ccc(-c2cc3c(NCc4cc(F)ccc4F)c(C(F)(F)F)cnc3[nH]2)cc1 95594285 YKBWFBLUFQQYFS-UHFFFAOYSA-N 421.344 6.278 0 1 HKAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3ccc(Cc4ccccc4)cc3CC[C@@H]21 100620948 JPGRNXNEBBVHOR-XCZPVHLTSA-N 420.556 5.870 0 1 HKAF COc1cccc(OC)c1[C@H]1CC(C)(C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 103258920 VPGPPMRVNAKTHY-MRXNPFEDSA-N 423.431 5.102 0 1 HKAF CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccccc2)C2=C(O)CC(C)(C)CC2=N1 103872676 AWNCQPYHTRBSAL-JOCHJYFZSA-N 401.510 5.473 0 1 HKAF Clc1ccc(C2=C[C@@H]3CC[C@@H](C2)N3CCOc2cccc3[nH]ccc23)cc1Cl 146936393 VQOZKEVLIXCLAX-ROUUACIJSA-N 413.348 6.174 0 1 HKAF Cc1nc(-c2cccc(CN3C(=O)CC[C@@H]3c3ccccc3-c3ccccc3)c2)cs1 166326510 AEGWGVROKVYKOO-AREMUKBSSA-N 424.569 6.649 0 1 HKAF COc1cc(N[C@@H](C)CCCN)c2ncccc2c1Sc1cccc(Cl)c1 169317145 WRCDRPQUTNRJBM-AWEZNQCLSA-N 401.963 5.587 0 1 HKAF COc1cc(N[C@@H](C)CCCN)c2ncccc2c1Sc1ccc2ccccc2c1 169317154 WCSWIQZRCXDXSK-KRWDZBQOSA-N 417.578 6.087 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccccc2)c(Cl)c1)C3 195102258 AQWNEEQYGAZQAV-XDWLSTFRSA-N 421.968 5.684 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@]2(C)[C@@H]3CC[C@H](C(C)C)[C@@]3(C)CC[C@]12C 257462411 KETZXRQFCKBMKO-QBRFULHBSA-N 410.730 9.054 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(-c4ccccc4)c(F)c3)nc3ccc(O)c1c23 586985856 GVWJVHPSBWMMIS-UHFFFAOYSA-N 417.439 6.625 0 1 HKAF Cc1c(-c2cc(Cl)cc(Cl)c2O)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586994145 WLJUCCZHAZZQEF-UHFFFAOYSA-N 420.295 6.742 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c(C[C@H]3OCCc4ccsc43)nc2c1 587036573 GKHUAMAMSLVZGV-GFCCVEGCSA-N 417.250 5.262 0 1 HKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(Br)c(F)c2[nH]1 587044688 OOXPYJGXGSOPQP-UHFFFAOYSA-N 420.065 5.456 0 1 HKAF COC(=O)c1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c1OC 587063707 SRSRIPNVBUDEFJ-UHFFFAOYSA-N 422.868 5.258 0 1 HKAF Cc1nn(-c2cccc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c2)c(C)c1Cl 587065636 URKXYDBVOJYUPQ-UHFFFAOYSA-N 422.863 6.298 0 1 HKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c2)cc1 587067783 OXEBXNOVWCVYSP-UHFFFAOYSA-N 404.684 5.744 0 1 HKAF FC1(F)Oc2cc3nc(-c4cncc(-c5cc(Cl)cc(Cl)c5)c4)[nH]c3cc2O1 587072064 SSQXBTZHTUJGNH-UHFFFAOYSA-N 420.202 5.920 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(OC(F)(F)F)ccc3O)nc3cccc1c23 587103168 GBIZQPLKRSXNBW-UHFFFAOYSA-N 407.347 5.717 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCN(C(=O)Oc1ccccc1)CC3 587105201 SJYCYTNLZCYJBH-UHFFFAOYSA-N 420.468 5.046 0 1 HKAF FC(F)(F)c1cccc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 587110817 CTJWVOUNTVGJIJ-UHFFFAOYSA-N 420.026 5.774 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@H]3c3cccc(F)c3F)nc2c1 587152340 LZSWLVWYCHZUAR-RYUDHWBXSA-N 421.241 5.051 0 1 HKAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(F)cc(Br)c2[nH]1 587162566 GDOJGEVKNCFIKZ-UHFFFAOYSA-N 413.221 5.502 0 1 HKAF c1ccc(COc2cccc(-c3ccccc3-c3cc4c5c(cccc5n3)CC4)c2)cc1 587213802 LKPSPYKARKVFRJ-UHFFFAOYSA-N 413.520 7.246 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2c2ccccn2)[C@H]1c1ccc(F)cc1 587335374 HFVNJBOCGVIVDW-OPHFCASCSA-N 403.453 5.382 0 1 HKAF C[C@@]1(c2cccc3c2CCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348808 AULYWXOHKHHWKN-AHWVRZQESA-N 402.465 5.684 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C2CCCCC2)[C@H]1c1ccc(F)cc1 587350776 FHZIMZGPYSVPDG-BDYUSTAISA-N 416.492 6.366 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccs2)[C@@H]1c1ccc(F)cc1 587377115 QPBGTZOGYQFMDM-NOZRDPDXSA-N 416.473 5.896 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(CC)ccc21 587481644 NEFNVNZDVJFGBQ-HHHXNRCGSA-N 412.485 5.361 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(OCc3ccccc3)cc1)CC2=O 587481802 SGSIWFWSUJAACK-HHHXNRCGSA-N 416.517 6.194 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccc(C(C)=O)cc3)cc1)CC2=O 587489571 PGDRGMQOSIPTKT-HHHXNRCGSA-N 414.501 6.095 0 1 HKAF O=C1C[C@H](c2cccc(N3C(=O)c4ccccc4C3=O)c2)Oc2c1ccc1c2CCCC1 587517609 QUYURSDBVXEVSU-XMMPIXPASA-N 423.468 5.073 0 1 HKAF CCOP(=O)(OCC)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587534202 XZADWBHMJNPLKA-QFIPXVFZSA-N 414.438 5.163 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(Cl)c(Cl)c1 587541890 GOPKBDPFXPTEJU-OXJNMPFZSA-N 421.663 6.055 0 1 HKAF CC(C)COc1ccc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544003 CXNCJXPNXOSUAP-URXFXBBRSA-N 424.880 5.783 0 1 HKAF CC[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545272 HAILSFBMYOWDCE-UGKGYDQZSA-N 414.379 5.678 0 1 HKAF C[C@]1(c2c(F)ccc(Cl)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587556365 JMQVXUXCWAZECD-LAUBAEHRSA-N 402.780 5.201 0 1 HKAF CCCCCCC1(CCCCCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600675 OXYXFPAQKVDQSM-HSZRJFAPSA-N 410.554 7.033 0 1 HKAF CC[C@H](C)c1ccc([C@]2(CC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587602354 JKOZQFQYHIHKMP-VPWGAPMNSA-N 402.490 6.173 0 1 HKAF CCOC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1cc(Cl)ccc1Cl 587628408 OEGMKUOISLGDQV-UHFFFAOYSA-N 414.647 5.675 0 1 HKAF Cc1cccc(C(=O)c2c(-c3cc(Cl)ccc3O)[nH]c3c(C(=O)O)cccc23)c1 587639157 WRXKUFUPZJLYQV-UHFFFAOYSA-N 405.837 5.432 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)c(F)c2)(C(F)(F)F)N1 587709141 IRBKNOMYXMCFSL-ZKANADHPSA-N 424.182 5.207 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(F)cc2F)N1 587723522 AULDSXBDQZYEPS-BIBXISHDSA-N 421.260 5.281 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3cc(F)ccc32)N1 587726935 AHDBDNHRUSBZEE-PRWKNARSSA-N 408.286 5.066 0 1 HKAF CC(=O)c1cccc(CC[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F 587730776 YAGNGUGOATUGSQ-GTNSWQLSSA-N 408.286 5.138 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2C[C@H]2c2ccc(Cl)s2)N1 587850401 YVBMLUPGBLFMQJ-VVUFOAKVSA-N 414.771 5.856 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccc(C(F)(F)F)n1 587853979 CGPUNNWNTDXWAU-UHFFFAOYSA-N 403.191 5.054 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2cccs2)cs1 587860954 HBEAWTPIMKTXFP-UHFFFAOYSA-N 422.362 6.430 0 1 HKAF COc1cccc([C@@H](C)Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)c1 587930509 JAMOCZBWUVOAIC-ZDUSSCGKSA-N 403.320 5.467 0 1 HKAF CC(C)CCCCCCCCCCCCCCCCCc1nc2c[nH]c(=N)[nH]c-2n1 587957564 NTWZORUWYPMUMD-UHFFFAOYSA-N 415.670 7.157 0 1 HKAF C[C@H]1CCc2cc(-c3ccnc4ccccc34)ccc2N1C(=O)c1ccc(O)cc1O 653667447 XXFAGYMXMCJALN-INIZCTEOSA-N 410.473 5.295 0 1 HKAF Cc1cccc(C)c1-c1cccc([C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962760197 DMCYEJBVPSGIQK-JTHBVZDNSA-N 409.451 5.706 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCCCCCC(=O)O)c1cccc(F)c1 963230460 PLHAQAAPTKASHE-IBVKSMDESA-N 411.561 6.151 0 1 HKAF CC(=O)OCc1ccc(-c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)o1 1772575343 SPMRITODIPFGRJ-UHFFFAOYSA-N 411.820 5.489 0 1 HKAF Cc1cc(-c2nc(-c3cccc(OC(F)(F)F)c3)n3c2CCO[C@H](C)C3)cc(C)n1 1772608763 DICFMFBRWFOXGZ-OAHLLOKOSA-N 417.431 5.089 0 1 HKAF CC(=O)Nc1ccc(Nc2nccc(-c3ccc(Oc4ccccc4N)cc3)n2)cc1 1772655877 RIDRQRPHYDHPJU-UHFFFAOYSA-N 411.465 5.220 0 1 HKAF OCc1ccc(-c2cnc3cnc(-c4ccc(CNc5ccccc5)cc4)cn23)cc1 1857595906 NMFCOSNJLAURRL-UHFFFAOYSA-N 406.489 5.168 0 1 HKAF Nc1oc2c(-c3ccnc(C(F)(F)F)c3)nccc2c1Nc1ccc(F)c(Cl)c1 1857655283 FPNTYHGHPMENNJ-UHFFFAOYSA-N 422.769 6.027 0 1 HKAF COc1ccc(OC)c2c1C[C@@H]1c3cc([C@@H](C)c4ccccc4)sc3CCN1C2 1857757450 DCNMWUAKTCVIOB-HRAATJIYSA-N 405.563 5.573 0 1 HKAF C[S@](=O)c1ccc(-c2nc3ccc(Cl)cc3nc2-c2ccc(Cl)cc2)cc1 1857768457 PQNQYTJDHKOWPM-MHZLTWQESA-N 413.329 6.008 0 1 HKAF CC(=CC=CC[C@H](C)C(Cl)(Cl)Cl)C(=O)N[C@@H](c1nccs1)C(C)C 2356610017 SASMNYHOQIJNIJ-UONOGXRCSA-N 409.810 5.855 0 1 HKAF CC(C)=CC[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](N(C)C)CC3=CC[C@@]2(C)[C@@H]2CC[C@@H]3CNC[C@@]321 2356723552 MTTYFJALUXXPNR-NYGLAYLWSA-N 410.690 6.051 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CCC1=C(C)CC[C@@H]2C(C)(C)CCC[C@]12C 2356863668 VHLXLMQWVJKPNC-QFQXNSOFSA-N 423.649 5.942 0 1 HKAF Cc1ccc(Cc2c(C3CCCCC3)nc3cc(C)c(Br)c(C)n23)cc1 95570096 AXRSHLSXDZULQO-UHFFFAOYSA-N 411.387 6.661 0 3 HKAF C[C@H](NC(=O)c1cc2ccc(C(F)(F)F)cc2nc1N)c1cccc2ccccc12 203467028 LYAVZKKABSCBJV-ZDUSSCGKSA-N 409.411 5.480 0 3 HKAF O=C(Nc1ccccc1Cl)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1[C@H]2Cc1ccccc1 203468094 HSEKZLXNJCDVBI-GLUARIRHSA-N 424.972 5.763 0 3 HKAF CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 4207455 RETFWNYIZMOUJZ-GMAHTHKFSA-N 406.913 5.501 0 1 HKAF CC1[C@H](O)CC(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@H]1O 4394160 OZPNRDQPQFOURL-KVZUFTLTSA-N 418.662 5.785 0 1 HKAF in-vitro COc1cc(Cl)c(C)cc1NC(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3 5034993 XAZHSDSJVBXXET-UHFFFAOYSA-N 401.293 5.600 0 1 HKAF O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c(Cl)cccc12 13472877 WJKXNBHLYDMZKG-UHFFFAOYSA-N 423.731 5.116 0 1 HKAF C[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@H]13 13586857 KVTPARWKGZYKAU-ADNUDIPFSA-N 412.533 5.019 0 1 HKAF OCCc1ccc([C@@]2(c3cccs3)C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)s1 26817260 IZEPCKLRFRANHV-GPUOULLFSA-N 416.591 5.057 0 1 HKAF CCn1ccnc1-c1cccc(Cl)c1CCc1cc(Br)ccc1OC 27204026 DJNMKEGCGFTEIA-UHFFFAOYSA-N 419.750 5.780 0 1 HKAF COc1cccc([C@@H](c2ccc(OCCN3CCCCCC3)cc2)c2cccs2)c1 29130704 ZNLVRWHFLMUQKH-AREMUKBSSA-N 421.606 6.192 0 1 HKAF COc1c(OC)c(OC(=O)C(C)(C)C)c2c(C)cccc2c1OC(=O)C(C)(C)C 29310448 YTCAZZJWDFKTLZ-UHFFFAOYSA-N 402.487 5.068 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C 33830171 PHXROWPRWPUNFG-ZPBYXHRESA-N 424.713 8.089 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 36371198 ARVGMISWLZPBCH-RDWQTVKSSA-N 412.702 7.945 0 1 HKAF Cc1cc(Sc2ccc(O)cc2)cn2c(CSCCc3ccccc3)cnc12 40392401 NUYCKTIQFPLQFN-UHFFFAOYSA-N 406.576 5.975 0 1 HKAF O[C@@H]1CC2(N3CCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 40576385 RYCYJPVBNCYXDT-WZLDUSJXSA-N 416.392 5.870 0 1 HKAF ClC(Cl)(Cl)c1nc(Nc2ccccc2Br)c2ccccc2n1 42964817 JVNRALKDKLQHGA-UHFFFAOYSA-N 417.521 5.963 0 1 HKAF Cc1nc(-c2cccc(Nc3nccc(NC[C@@H](O)c4ccccc4C)n3)c2)cs1 45228144 RYKKYIBJYBNSFU-OAQYLSRUSA-N 417.538 5.106 0 1 HKAF Cc1cc(NC(=O)c2ccco2)ccc1OC1CCN(Cc2ccc(F)cc2)CC1 45231105 PRMVPDKXZYMFQE-UHFFFAOYSA-N 408.473 5.023 0 1 HKAF CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc(C)c(C)c2)c2ccccc21 49047686 LWTUYNJQSLFRCB-RXFWQSSRSA-N 412.533 5.837 0 1 HKAF CCOC(=O)[C@H](CC)CCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1 59029406 UHTNRRRVPYSFKW-JOCHJYFZSA-N 418.581 6.675 0 1 HKAF CC(C)Cn1c(N)nc2c(F)cc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21 63298073 AKWVKIGCMCHYJT-UHFFFAOYSA-N 423.492 5.596 0 1 HKAF Fc1cccc(Cl)c1[C@@H]1C[C@H](c2ccc(-c3ccccc3)cc2)Nc2ncnn21 72112591 JVJFBRNMJDNPSF-RTWAWAEBSA-N 404.876 5.884 0 1 HKAF COc1ccccc1CCNc1cncc(Oc2cccc(Nc3ccccc3)c2)n1 82068485 MIWJEGPJJTXNMX-UHFFFAOYSA-N 412.493 5.676 0 1 HKAF CCN(Cc1ccccc1)C(=O)c1cnc(NC2CCCCC2)nc1-c1ccccc1 82133832 QSDCHOMMCHMFRI-UHFFFAOYSA-N 414.553 5.551 0 1 HKAF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccccc1F 82150590 HCFFEOUYURKPGV-HTAPYJJXSA-N 424.564 5.583 0 1 HKAF COc1ccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccccc3)n2)cc1 82163370 AURJCHMTHUNPFS-UHFFFAOYSA-N 416.550 5.547 0 1 HKAF CCCCCNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CCc1ccccn1 82186252 UKHDRFBJFJLYJT-UHFFFAOYSA-N 420.948 5.387 0 1 HKAF O=C(Nc1ccc(F)cc1)N1CCc2occc2[C@@H]1c1ccc(C(F)(F)F)cc1 84653762 WLQZSGGBHSDNBI-IBGZPJMESA-N 404.363 5.617 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccc3ccccc3c2)C[C@H](c2ccccc2)C1 103880545 UZNICGOSLMCMQZ-MUAVYFROSA-N 416.524 7.469 0 1 HKAF Cc1cc2c(cc1C)N[C@@H](c1cccc(C(F)(F)F)c1)C1=C(O)CC(C)(C)CC1=N2 103934506 DYYPSXMXCLVMDF-QFIPXVFZSA-N 414.471 7.194 0 1 HKAF COc1cc2nccc(Oc3ccc(NC(=O)c4ccsc4)cc3)c2cc1OC 144129255 BYHCUHXSYIASPR-UHFFFAOYSA-N 406.463 5.358 0 1 HKAF O=C(Nc1cccnc1)c1cc(-c2ccco2)nc2ccc(-c3ccc(F)cc3)cc12 150128088 QMPYXDABLJYRLR-UHFFFAOYSA-N 409.420 5.948 0 1 HKAF CC[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1ccccc1 198390931 DXAXGTUMUWQTQY-QHCPKHFHSA-N 404.460 5.849 0 1 HKAF C[C@H]1[C@H]2[C@H](c3cc(-c4cc(=O)c5c(O)cc(O)cc5o4)c(O)cc3OC2(C)C)C1(C)C 238770231 WOEBDCLYNHDBHY-JHWMDXGOSA-N 422.477 5.124 0 1 HKAF CC[C@H](/C=C\[C@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(C)C 255222154 JZVFJDZBLUFKCA-VAISABSWSA-N 412.702 7.801 0 1 HKAF CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@H]4CC[C@H]3C1(C)C 255259456 PLKVWYPBRRRIQG-MYTPAXKTSA-N 400.695 5.964 0 1 HKAF CCCOc1ccc2c(c1)[C@H](N1CCN(C(=O)c3ccccc3)CC1)c1ccccc1-2 473105993 WASPQTVPNHATQS-AREMUKBSSA-N 412.533 5.003 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2)CC1 586880434 LDHSJXYAZVOEJC-WKILWMFISA-N 401.381 8.001 0 1 HKAF FC(F)(F)Oc1cc(Br)c2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 586882858 CLUZLYKRBSFRLG-OXKORPGDSA-N 415.253 5.692 0 1 HKAF FC(F)(F)c1cc(Br)cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c12 586888125 WKHNLRVOQYQXME-KSSFIOAISA-N 407.233 5.716 0 1 HKAF Brc1ccc(NCCc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 586996691 XRGDQSFHYQTJFG-UHFFFAOYSA-N 408.299 5.772 0 1 HKAF Brc1ccc(-c2ccc(/C=C\c3nc4ccc5c(c4[nH]3)CCCC5)o2)cc1 586997991 GMCMPFXLXQYKIM-KAMYIIQDSA-N 419.322 6.635 0 1 HKAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)s1 587014806 RBUCVPYLJJUXSS-ZETCQYMHSA-N 402.264 5.133 0 1 HKAF O[C@@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccccc1Cl 587059555 SERPTSOHTYHRGE-CYBMUJFWSA-N 405.601 5.079 0 1 HKAF Clc1cccc(COc2ccc(/C=C/c3nc4cc5c(cc4[nH]3)OCO5)cc2)c1 587070428 ITIBKRFWGUEFHY-RMKNXTFCSA-N 404.853 5.694 0 1 HKAF NC(=O)c1cccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587073681 MYQKRQDCCSXKJB-SDXDJHTJSA-N 401.897 5.489 0 1 HKAF Oc1ccccc1-c1cc(-c2nc3ccc(Cl)cc3[nH]2)c2cccc(Cl)c2n1 587081924 YEJWYTHVOGWWOD-UHFFFAOYSA-N 406.272 6.458 0 1 HKAF CCCCCC[C@@H](C(=O)OCC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096717 GOFYLLBHBOEUAQ-HXUWFJFHSA-N 415.533 6.372 0 1 HKAF Cc1ccc2c3c(cc(-c4c[nH]c5cc(C(=O)O)ccc45)nc13)-c1ccccc1C2=O 587098405 XPTZSABWXVSQHN-UHFFFAOYSA-N 404.425 5.601 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Cl)cc(C)c4[nH]3)c(F)c2)c1 587147140 IFFXFLYOGOQPRR-UHFFFAOYSA-N 410.832 5.705 0 1 HKAF Brc1ccc(-c2cc3c4c(cccc4n2)CC3)c(OCc2ccccc2)c1 587207544 GKDWMMBUKYGDRS-UHFFFAOYSA-N 416.318 6.342 0 1 HKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc(Br)c(O)c3[nH]2)c1 587241493 DLUVDJZUZXWVDD-UHFFFAOYSA-N 402.292 5.073 0 1 HKAF CC[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344144 FVNVFOMFCQFUGL-ZCYQVOJMSA-N 401.437 5.677 0 1 HKAF COc1cccc(-c2c(C(C)C)c(CCc3ccccc3)nc3c2oc2ccccc23)c1 587365411 KMMMXHAXDJKYDE-UHFFFAOYSA-N 421.540 7.565 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC[C@@H]3Cc2ccccc2)c1 587366339 LDNHGXVAXIULDB-HXUWFJFHSA-N 419.524 7.319 0 1 HKAF Cc1ccc2c(c1)[C@]1(CCS2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587371422 DNVMXYCEZVPEJF-UPVQGACJSA-N 406.478 5.590 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3ccccc3Cl)c3ccccc13)O2 587376035 BRYCZRGGYVGULS-DEOSSOPVSA-N 416.908 5.940 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(NC(=O)c3ccccc3Cl)c1)O2 587377843 KOULKTVOKMIHHN-OAQYLSRUSA-N 406.869 5.189 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1ccc(C(F)(F)F)cc1)O2 587380118 ASCZKBQENYDRHN-JOCHJYFZSA-N 415.386 5.644 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc4cc(NC(=O)OC(C)(C)C)ccc4o1)[C@@H](C2)C3=O 587427527 DIVLZQZKLAKAKO-AOMKIAJQSA-N 421.449 5.277 0 1 HKAF Nc1cc(Cl)ccc1[C@@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587504860 NTSSNBWOTGUVFX-VWLOTQADSA-N 421.899 5.849 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)cc1Cl 587550655 VUOJDYRQCYOJGQ-PXNSSMCTSA-N 420.770 5.767 0 1 HKAF CCC(C)(C)c1ccc(OCc2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 587564999 SLFPMZLYUGVRNJ-UHFFFAOYSA-N 400.522 6.409 0 1 HKAF CN(C)c1ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2c1 587573232 SHEKLXJLAFSMJU-BVAGGSTKSA-N 411.457 5.314 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccccc2)n1 587611768 JNILWPHUEAKFNQ-KNQAVFIVSA-N 401.443 5.219 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCCC2)s1 587614780 UIGDVUPSZJOJAP-NFBKMPQASA-N 407.491 5.147 0 1 HKAF Fc1cc2c(Nc3ccc(Br)cc3)c(-c3ccccc3)[nH]c2cc1Cl 587627966 CYLKKVLXCOCKNS-UHFFFAOYSA-N 415.693 7.134 0 1 HKAF Cc1cc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587709761 NVKHYKSRESAUOD-QGHHPUGFSA-N 420.219 5.376 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(F)(F)F)cc2)N1 587711852 MRSIFPUZYUDRIV-DYZYQPBXSA-N 418.228 5.153 0 1 HKAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)c1 587712788 QNXIDJFIXOXGIW-XLFHBGCDSA-N 418.228 5.239 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(F)c3F)o2)N1 587725142 BMUABKZZGJWFLV-FVINQWEUSA-N 422.244 5.750 0 1 HKAF COc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587755728 QILFAQOFZXQVEH-LRTDBIEQSA-N 415.306 5.011 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(=O)C3CCCC3)c2)N1 587822080 ZPENPVFROGACFY-ASSNKEHSSA-N 416.334 5.585 0 1 HKAF CC(C)Sc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587842765 GEAQNIJYCBRUPK-ZUOKHONESA-N 408.380 5.886 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncc(C(F)(F)F)cc1C 587861961 YOWCJCYAJUVDQH-UHFFFAOYSA-N 401.310 5.289 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1csc2ccccc12 587863833 KDBRZAUZWYVCGS-UHFFFAOYSA-N 402.397 5.481 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(Cl)ccc1OC 587865300 TWQKGPQCHPURHE-UHFFFAOYSA-N 424.806 5.318 0 1 HKAF COc1ccc2c(c1)C[C@@H](c1nc3ccc(-c4nc5ccccc5s4)cc3[nH]1)CC2 587946924 NIBJQHPSZKAMSZ-INIZCTEOSA-N 411.530 6.121 0 1 HKAF FCCc1cn(CCCCN2CCC3(CC2)OCc2ccccc23)c2ccccc12 653787726 KYNUEONIFJMYQF-UHFFFAOYSA-N 406.545 5.455 0 1 HKAF O=C(O)c1ccc(-c2cccc([C@H]3NCCc4cccc(-c5ccccc5)c43)c2)cc1 962659357 GCGIVCVDDRYWTI-HHHXNRCGSA-N 405.497 5.954 0 1 HKAF COC(=O)[C@H](n1cccc1[C@@H]1NCCc2cccc(-c3ccccc3)c21)C(C)(C)C 962673324 WPSFNNUTWMKDQI-ZEQRLZLVSA-N 402.538 5.150 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(COc3ccc(F)cc3Cl)o2)N1 962958959 VHDUMNSIFPYUKZ-IZHWHUGBSA-N 424.903 6.146 0 1 HKAF Clc1cc(Cl)c2c(c1)[C@H](c1cc(-c3ccc(Br)cc3)no1)NCC2 963115267 ZYJBJGUTHIGNBN-GOSISDBHSA-N 424.125 5.646 0 1 HKAF CN1CCc2c(Br)cccc2[C@]1(c1ccc(Cl)c(F)c1)C(C)(C)C 963289028 HUJVSEHZIRRWLB-HXUWFJFHSA-N 410.758 6.019 0 1 HKAF O=C(N[C@H]1CCC(F)(F)C1)c1ccc2cc(Oc3ccc(C(F)F)cn3)ccc2n1 1772571678 RVBZESUAOAVSKU-AWEZNQCLSA-N 419.378 5.277 0 1 HKAF O=C(NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)OCCCc1cnc[nH]1 1772628992 UYMBIBLZLAJMQD-UHFFFAOYSA-N 404.297 5.165 0 1 HKAF CCc1oc2ccccc2c1C(=O)c1cc(O)c(Br)cc1Br 1857554870 LLUFUBWIUOFNCW-UHFFFAOYSA-N 424.088 5.457 0 1 HKAF Cc1cc(N2CC[C@]3(CCN([C@@H](C)c4ccc5sc(C)nc5c4)C3)C2)cc(C)n1 1857581217 ZQCGYMDLNUAQOS-UUOWRZLLSA-N 406.599 5.280 0 1 HKAF CCC1(CC)CC(C)(C)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1 1857655653 DHCALYIBIBQPCN-UHFFFAOYSA-N 420.475 6.968 0 1 HKAF COc1ccc2c(c1)[C@@H](c1ccc(SC)cc1)C1=C(O2)c2ccccc2OC1(C)C 1857753659 NJAHTTAEJOFKKZ-HSZRJFAPSA-N 416.542 6.524 0 1 HKAF C[C@]1(C2CCCCC2)O[C@@]2([C@@H]3CCC[C@H](Cc4ccc(=N)[nH]c4)C3)CC[C@H]1[C@H](N)C2 2356292417 GUPREHWSCHTEKF-HCVNOZIBSA-N 411.634 5.078 0 1 HKAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@]2(C)C[C@](C)(CCC(=O)O)CC[C@]12C 2356400790 KENPOJGXNZZKMX-VHEUSWEBSA-N 416.646 6.886 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356582794 XOCKKQKIUYNBRG-MWPNCILTSA-N 418.706 6.685 0 1 HKAF CC(=O)OCC1=CCC[C@H]2[C@@](C)(CCc3ccoc3)[C@@H](C)CC[C@]12COC(C)=O 2356610482 MFHNNINMNRCKKL-NSXWQBIQSA-N 402.531 5.097 0 1 HKAF CC(C)[C@@H]1CCNC1=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@]21C 2356683200 KWJAIEDSFQYEAZ-SBRKIUJDSA-N 424.717 6.678 0 1 HKAF COc1cc(OC)c(OC)cc1C=C[C@H]1CCC=C[C@@H]1c1ccc(OC)c(OC)c1 2356683776 DPPUNDFHJDXSHJ-XLIONFOSSA-N 410.510 5.493 0 1 HKAF C[C@@H]1CC=C[C@](C)([C@H]2C[C@@H](Cc3cc(O)cc(CCCO)c3)CC3(CCCC3)C2)C1 2356729617 WAVVAHNLJRLTOM-FBCJSKMCSA-N 410.642 6.829 0 1 HKAF CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C=C[C@@]21C)C(C)C 2356745758 VRLUYJWAEHZDHW-JHXIUNCFSA-N 412.702 7.801 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]1CC[C@H]1[C@H]3C(=CC[C@@H]12)C[C@H](O)C[C@@H]3C)C(C)C 2356776540 XOUKWBZXHQYSCY-PADTZSORSA-N 400.691 7.491 0 1 HKAF FC(F)(F)c1cccc(-c2cc3cnc(Nc4ccc5c(c4)OCCO5)cc3[nH]2)c1 205209322 QAUULEVIRAABOZ-UHFFFAOYSA-N 411.383 5.764 0 3 HKAF CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F 4207487 ZUFXTWXMXCBQMX-HKUYNNGSSA-N 409.288 5.141 0 1 HKAF COc1c(-c2ccc(OC)c3c(O)cc(C)cc23)c(O)cc2c1[C@H](C)N(C)[C@H](C)C2 13359098 UGEJDUMBFTVARC-CABCVRRESA-N 407.510 5.181 0 1 HKAF biogenic Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCc3c[nH]c4cccc2c34)cc1 13487940 AFNCGNPUMCGZOJ-UHFFFAOYSA-N 409.489 5.322 0 1 HKAF Cc1cccc(N(C)C(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1 13673601 IKEYQAUIFBJKDF-UHFFFAOYSA-N 403.511 5.226 0 1 HKAF CCCCCCc1ccc(OCCCCCCCCCCC(=O)NC2CC2)cc1O 13676038 VBVLZYYLRYTLLX-UHFFFAOYSA-N 417.634 6.683 0 1 HKAF COc1cccc(CO[C@@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 13744494 TXDIYPDUXRZWER-VSGBNLITSA-N 413.561 5.507 0 1 HKAF O=C(/C=C/c1ccccc1Sc1ccc(Cl)cc1Cl)NC[C@@H]1CCCO1 13814754 LVTRCHFXBKRWTG-JCVNQNCUSA-N 408.350 5.453 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C=O)c(O)cc(C)c2O1 14767738 VVUPQSRSJMZZQI-XYLLPWDYSA-N 424.625 7.796 0 1 HKAF FC(F)(F)c1cccc(Nc2nnc(-c3cccnc3CCc3ccccn3)o2)c1 14946574 BZEDYAKUWVHUJQ-UHFFFAOYSA-N 411.387 5.074 0 1 HKAF CCCCN(C[C@H](c1ccccc1)C1CCCCC1)C(=O)Nc1ccc(C)cc1C 26400483 VNFFVPHQXVLHLW-RUZDIDTESA-N 406.614 7.302 0 1 HKAF COc1ccc(Br)cc1CCc1ccccc1-c1nc(C(C)C)cn1C 27200585 SVGLNUJEHGSROB-UHFFFAOYSA-N 413.359 5.767 0 1 HKAF COc1ccc2c(-c3ccc(OCCN4CCCC4)cc3)c(-c3ccccc3)oc2c1 28761088 SGBWOHQXMGLTLU-UHFFFAOYSA-N 413.517 6.250 0 1 HKAF FC(F)(F)c1ccc(Nc2nc(Cl)nc3c2ncn3Cc2ccccc2)cc1 28767472 KGBLPVPGCZAJQY-UHFFFAOYSA-N 403.795 5.290 0 1 HKAF CC(=O)O[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 28863173 HMMXRBXGPAQIDO-ILQJIGPNSA-N 403.566 5.524 0 1 HKAF Cc1cccc(C)c1NC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 36189279 QAHXIOGYJOSPBU-TUKOQJPTSA-N 420.597 5.155 0 1 HKAF COC(=O)c1ccc(NCc2cncn2Cc2ccccc2F)cc1-c1ccccc1 40973627 HOIMFBAHUOBTCN-UHFFFAOYSA-N 415.468 5.136 0 1 HKAF CN(C1CCCCC1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 43011595 WVCNWPFTYDURBB-UHFFFAOYSA-N 420.576 5.457 0 1 HKAF CC(=O)SCC[C@@H](CCCCC(=O)Nc1ccccc1Cl)SC(C)=O 49070543 AQTTVEHPMAXBTR-OAHLLOKOSA-N 401.981 5.157 0 1 HKAF CC(=O)CC[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 72187417 CXEWBKOBUMAMQS-JWQCQUIFSA-N 417.480 5.478 0 1 HKAF CC1CCN(c2ncc(-c3nc4ccccc4s3)c(-c3ccccc3F)n2)CC1 82175819 NEJLSJHKPJYLBM-UHFFFAOYSA-N 404.514 5.796 0 1 HKAF C[C@](O)(c1ccccc1)c1ccc(-c2nc(C3CCC3)n3ccnc(N)c23)c(Cl)c1 96168110 KPRJHKARUPCPIB-DEOSSOPVSA-N 418.928 5.155 0 1 HKAF CC(C)(C)c1ccccc1Oc1ncccc1Nc1nsc(-c2ccccc2)n1 96271730 GSGDUFNFBWPZIU-UHFFFAOYSA-N 402.523 6.434 0 1 HKAF Cc1cccc(/C=C/C(=O)Nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)n1 96934211 MPBNQVJCDHZYAF-PKNBQFBNSA-N 415.884 5.382 0 1 HKAF CC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@@H]1c1cccc(Br)c1 104004960 LLKREPMKLHGHOV-NRFANRHFSA-N 411.299 5.625 0 1 HKAF FC(F)(F)Oc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1 114753154 IDFODUDVOBTNEG-UHFFFAOYSA-N 416.443 6.470 0 1 HKAF CCOP(=O)(Cc1cccc(Nc2cc(-c3cccc(N)c3)ncn2)c1)OCC 169342908 UZYITJZOYUMOQZ-UHFFFAOYSA-N 412.430 5.236 0 1 HKAF COC(=O)[C@@H]1[C@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(OC)cc2)s1)C3 253701931 MJYUGDRYDHXYRF-WSOWEKETSA-N 423.578 5.101 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC[C@@]12C 255269544 SZLHPSKURYFPPQ-FMZJNKPSSA-N 410.730 9.364 0 1 HKAF CSc1ccc(NC(=O)Nc2cc([C@@H]3CC3(F)F)nn2Cc2ccccc2)cc1 299831812 ZLLQSURPQGNPPT-KRWDZBQOSA-N 414.481 5.420 0 1 HKAF CC(C)c1cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(O)c(C(C)C)c1 586896864 RXMSXUXGAXVWGH-UHFFFAOYSA-N 413.390 6.231 0 1 HKAF FC(F)(F)c1ncc2nc(-c3cc(Cl)cc(Cl)c3Br)nc-2[nH]1 586975594 NSJSCHMPCILBQW-UHFFFAOYSA-N 411.996 5.060 0 1 HKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cccc(C(C)(C)C)c2[nH]1 586982594 MLDFIKCRAPPDID-KRWDZBQOSA-N 413.403 6.995 0 1 HKAF Cc1ccc(OC(F)F)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 586996690 RHQQAPRNXPCQKQ-UHFFFAOYSA-N 401.412 6.331 0 1 HKAF FC(F)(F)c1ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c1 587014005 GLKKLRQNLWJTKH-UHFFFAOYSA-N 414.239 6.679 0 1 HKAF CCCCOc1cc2nc(CCc3ccccc3Cl)[nH]c2cc1Br 587058434 GGXHTRIFJPLRKT-UHFFFAOYSA-N 407.739 5.943 0 1 HKAF Cc1c(Br)cnc2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc12 587073084 ASKFJLQQXCGUOC-OAHLLOKOSA-N 405.727 5.019 0 1 HKAF Cc1ccc2c(ccc3[nH]c(-c4cc(-c5ccccc5)nc5c(Cl)cnn45)nc32)n1 587080959 IHSMEUBWZVYMHF-UHFFFAOYSA-N 410.868 5.450 0 1 HKAF COc1ccc([C@H]2CC(=O)Cc3nc4c(C)ccc5c4c(c32)-c2ccccc2C5=O)cc1 587098826 VEKJLMZZDXPKOI-JOCHJYFZSA-N 419.480 5.410 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(Br)s4)nc13)-c1ccccc1C2=O 587101656 INUIEUWPTRMHDN-UHFFFAOYSA-N 406.304 6.246 0 1 HKAF FC(F)(F)Oc1cccc(CSCc2nc3ccnc(Br)c3[nH]2)c1 587124808 ONOZGAMNUHZEAD-UHFFFAOYSA-N 418.238 5.052 0 1 HKAF CNc1c(F)cccc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587136150 WDVNPRQAYYZYGT-UHFFFAOYSA-N 404.161 5.072 0 1 HKAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)c1 587147592 VJCNOSOIYQHRFG-UHFFFAOYSA-N 418.468 6.040 0 1 HKAF COc1ccc(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(F)c1 587148167 DKHBNELRTOAVLP-UHFFFAOYSA-N 403.173 5.083 0 1 HKAF Cc1cc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c2cc1Br 587242266 RAEMYCLAXFPJOX-UHFFFAOYSA-N 400.320 5.676 0 1 HKAF Nc1c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)ccc2ccccc12 587253915 HKNRBBCRADSNLE-UHFFFAOYSA-N 406.205 5.747 0 1 HKAF COCC[C@]1(Cc2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332053 IHEJSIPOCXGUDQ-ILBGXUMGSA-N 424.443 5.047 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1ccc(C)cc1 587399964 OFLPQVHJXFPGEJ-QHCPKHFHSA-N 403.478 5.180 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(-c3ccc(Br)cc3)n1)O2 587411571 DNZGVWPDYMDHBF-KRWDZBQOSA-N 415.312 5.170 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cc(Cl)cc(Cl)c4)cc1)[C@@H](C2)C3=O 587417328 CAIGKHXULTURTP-WMZHIEFXSA-N 411.284 6.158 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1cc4c(cc1C)C(C)(C)[C@@H](C)CC4(C)C)[C@@H](C2)C3=O 587445111 HZMQVBNCWGINBL-LEOFLALKSA-N 418.577 6.261 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC(C)C)(c1cc(Cl)ccc1OC)CC2=O 587459046 BHCYNSORYOHICL-QHCPKHFHSA-N 402.918 5.914 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccc(C)cc3Cl)cc1)CC2=O 587461046 JEOBQNBRKWBCCI-SANMLTNESA-N 420.936 6.854 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(F)c(F)c3)cc1)CC2=O 587466274 KKXPPNMGUQBSCA-XMMPIXPASA-N 424.443 5.908 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CSc1ccccc1)(c1ccc(F)cc1)CC2=O 587467142 ODXHAGSRYABZGP-VWLOTQADSA-N 422.521 6.137 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](c3ccccc3)c3ccc(O)cc31)CC2=O 587487293 ZGIAMPPRUZJKHG-XHCCPWGMSA-N 414.501 5.837 0 1 HKAF O=C1C[C@H](c2cccnc2Oc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587501513 OQIZQWRXBUVSBC-JOCHJYFZSA-N 405.881 6.113 0 1 HKAF C[C@@]1(c2c(F)cc(Br)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587502134 CXBSQABQIFUTJM-FQEVSTJZSA-N 407.254 5.487 0 1 HKAF C[C@@]1(c2c(Cl)cccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547939 VKNHNPCXGRQBAQ-NQIIRXRSSA-N 401.245 5.576 0 1 HKAF Cn1c(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587552181 OCQYBWVHHCCYAO-DENIHFKCSA-N 405.837 5.240 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1cccnc1 587589236 WNCOUCNJPHZIAE-RCZVLFRGSA-N 411.413 5.282 0 1 HKAF CN(C)Cc1c(-c2cccc3ccccc23)[nH]c2c1c(Br)cc1n[nH]cc12 587623526 VEDSKWMMEOXQHU-UHFFFAOYSA-N 419.326 5.689 0 1 HKAF CCc1ccc(NCc2c(-c3ccc(Br)cc3)[nH]c3cc(F)ccc23)cc1 587632970 UAQCLFMKOYTTRU-UHFFFAOYSA-N 423.329 6.911 0 1 HKAF O=C(Nc1cccc(Cl)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587654150 OPGMOZYLUVGPLU-UHFFFAOYSA-N 411.795 5.075 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2c(Cl)cccc2Cl)N1 587691098 BWIYVSQZHFEJAP-MLCYQJTMSA-N 417.149 6.103 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OCC2CC2)N1 587700573 UYOGOZHFWPZOMF-PRWKNARSSA-N 424.741 5.654 0 1 HKAF CN(C)CCOc1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783851 HJFQHCMNWXPXKW-XNTDXEJSSA-N 413.521 5.253 0 1 HKAF CCOC(OCC)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587794706 PINHBNPCAWXSEE-XCLFUZPHSA-N 422.338 5.283 0 1 HKAF CCOc1ccc2[nH]cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587807397 WZUCJXPBRNTUFA-PRWKNARSSA-N 403.295 5.092 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(-c4ccccc4)cc32)N1 587817331 KFRKXKRQFYJVMJ-IZHWHUGBSA-N 422.341 5.979 0 1 HKAF Cc1ccccc1-c1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587818588 IXKMTGSFVOGUQB-NPMXOYFQSA-N 410.330 6.187 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C2(O)CCCCC2)N1 587821270 GYDUQKVZDNSPEK-OYHNWAKOSA-N 418.350 5.061 0 1 HKAF Cc1ccc(-c2ncc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)o1 587853265 LTQOFMPAUGPMQV-VVVCHXIZSA-N 407.308 5.237 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1c(C)cc(C)cc1C 587861936 DWOSVGCNLUZMLG-UHFFFAOYSA-N 418.415 5.222 0 1 HKAF c1ccc(CN(Cc2ccc(CN(Cc3ccccc3)CC3CC3)cc2)CC2CC2)cc1 653834544 MZDLFOLQVBTLQD-UHFFFAOYSA-N 424.632 6.511 0 1 HKAF Oc1nc2cnc3ccc(-c4ccccc4)cc3c2n1-c1cccc(C(F)(F)F)c1 653851638 JODLAQDKCGLISF-UHFFFAOYSA-N 405.379 5.965 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(OCc3ccc(Cl)cc3)c2)N1 962940456 CUNNIRCOKISTEK-CPJSRVTESA-N 416.952 6.414 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)([C@@]2(C)CC3=C(CCCC3(C)C)C[C@@H]2C)N1 962951551 UEHHSCYZPQFOKO-HDMLFXFGSA-N 404.642 7.250 0 1 HKAF Fc1cccc([C@@]2(c3cncc4ccccc34)c3c(F)cccc3C[C@@H]3CCCN32)c1 963096876 GNWRIUZDUVHSBH-WXVAWEFUSA-N 412.483 5.825 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1ccc(Sc2ccccc2Cl)nc1 963110145 QMXQBWNHXAOGLW-FDDCHVKYSA-N 410.945 6.135 0 1 HKAF CC(C)(C)c1ccc([C@]2(C(F)(F)F)NCCc3c(Cl)cc(Cl)cc32)cc1 963126845 XEYUJIOJAADQCE-IBGZPJMESA-N 402.287 6.243 0 1 HKAF CC(C)c1csc([C@@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)n1 963832098 KWUOMIHCBUHJPA-HSZRJFAPSA-N 403.551 5.562 0 1 HKAF C(=C/c1ccc(Oc2ccccc2)cc1)\CCCCCCCCCOC[C@@H]1CCCN1 1857536903 HTTFKNWCVJIRRY-BULTVDLSSA-N 421.625 7.382 0 1 HKAF CC(=O)Nc1cc(-c2[nH]c(SCc3ccccc3)nc2-c2ccc(F)cc2)ccn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c1ccc(-c2cc(-c3ccccc3)c3cc(C)ccc3n2)cc1 6485647 CZGDXQKMZJIRNX-UHFFFAOYSA-N 402.519 5.639 0 3 HKAF CCn1c2ccccc2c2c(-c3ccccc3)cc3c(c21)C(=O)N(c1ccccc1)C3=O 1632188 MGJSOCZBAPNURK-UHFFFAOYSA-N 416.480 6.282 0 1 HKAF CC(=O)[C@H]1CC=C2[C@H](CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)[C@@H]1C(C)=O 13651634 FMYJTJNSCOXCIK-GETZNYBYSA-N 418.512 5.108 0 1 HKAF O=c1ncn2nc(Sc3cccc(F)c3)ccc2c1-c1c(Cl)cccc1Cl 13864342 VFUFMZSHXMMPCK-UHFFFAOYSA-N 418.280 5.354 0 1 HKAF COc1cc(O)c(C(=O)[C@@H]2[C@@H](c3ccccc3)CC=C(C)[C@@H]2CC=C(C)C)c(O)c1 14636834 LYDZCXVWCFJAKQ-IMSXRSKXSA-N 406.522 6.012 0 1 HKAF CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc(OC)c4)c3c2C)cc1 28569294 ALUPJWOUNFZSAK-UHFFFAOYSA-N 416.525 5.365 0 1 HKAF CC(C)=CCN1CC[C@@]2(C)c3cc(SC(=O)c4ccccc4)ccc3C[C@@H]1[C@@H]2C 29396525 WMVROBMFXLOHAT-YQIFXUADSA-N 405.607 6.110 0 1 HKAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](N(C=O)CCC(C)(C)C)CC[C@@H]4[C@@H]3CC[C@@H]12 36189618 HAPCTYIHYYGVQQ-PYYKMEHKSA-N 416.650 5.113 0 1 HKAF Fc1ccc(C2=CCc3ccccc3N=C2N2CCN(Cc3ccccc3)CC2)cc1 53259563 SBPIXPCYHRGMRR-UHFFFAOYSA-N 411.524 5.313 0 1 HKAF O=C(c1ccc(NCCn2cnc3ccccc32)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 64559682 AMDOXDXBHYTPFX-YADHBBJMSA-N 415.924 5.788 0 1 HKAF Fc1cccc(Cl)c1[C@H]1C[C@H](c2ccc(-c3ccccc3)cc2)Nc2ncnn21 72112589 JVJFBRNMJDNPSF-NHCUHLMSSA-N 404.876 5.884 0 1 HKAF CC1=Nc2ccc(-c3ccsc3)cc2[C@H](c2ccccc2)N1CCN1CCCCC1 72123047 ZEQUNNMLKORYCR-SANMLTNESA-N 415.606 6.356 0 1 HKAF CCCC[C@H](CC)CNc1nc(N2CCCCCC2)nc2cc(OC)c(OC)cc12 82128485 BINWLFRPAWUJGI-SFHVURJKSA-N 414.594 5.656 0 1 HKAF CC[C@@H](C)Cn1c(C(C)C)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 82189373 JEEZKBDKRBWNIK-CQSZACIVSA-N 420.388 5.957 0 1 HKAF O=C(O)C[C@@H]1O[C@@H](c2cccc(Cl)c2Cl)c2cc(Cl)ccc2-n2cccc21 84687295 KZNFCNOMKJYOAD-PXNSSMCTSA-N 422.695 6.073 0 1 HKAF COc1ccc(N2O[C@@H](c3ccccc3)C[C@H]2c2ccc(-c3ccccc3)cc2)cc1 95554149 HVZZEQYZTIMZPM-WUFINQPMSA-N 407.513 6.987 0 1 HKAF Cc1ccc([C@@H]2N(c3ccccc3)C(=O)c3ccccc3N2C(=O)c2ccccc2)s1 95583320 GCMPFCGNTGDZNH-XMMPIXPASA-N 424.525 6.063 0 1 HKAF O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1cccc(-c2ccccc2Cl)c1)O3 96269871 FFQHIACKGXHTFF-MWTRTKDXSA-N 422.864 5.470 0 1 HKAF CSc1ccc([C@H]2CC[C@H](OCC3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 101659428 BFMUOBGBJFNSJJ-TYKWCNGQSA-N 419.631 6.098 0 1 HKAF O=C(C1CC1)[C@@H](c1ccccc1F)N1C(=O)S/C(=C\c2c[nH]c3ccccc23)C1=O 103264267 DHMCJBRZJDKOQU-DEWISIQVSA-N 420.465 5.064 0 1 HKAF CCC[C@@H](C(=O)O)c1c(CC)nc2sc3c(c2c1-c1ccc(C)cc1)CCCC3 113122839 UPPQMWOGFMHCHI-GOSISDBHSA-N 407.579 6.681 0 1 HKAF CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccccc2n1Cc1ccccc1 113497065 VDPPFAPDUWCJBC-UHFFFAOYSA-N 418.487 6.021 0 1 HKAF CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1C)c1ccccc1 114546347 FYBQRWJSNFMOJZ-FCOVXDGGSA-N 408.501 6.338 0 1 HKAF CC(C)(O)c1ccccc1-c1ccc2[nH]c(/C=C/c3cccc(C(F)(F)F)c3)nc2c1 117148623 DEPBBRAWAGMCKY-JLHYYAGUSA-N 422.450 6.647 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)O 118405022 SOQKXJABGLKWQX-PYZYAQHHSA-N 408.626 8.442 0 1 HKAF C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 118912446 GMBQZIIUCVWOCD-RHHRBMONSA-N 416.646 5.794 0 1 HKAF C/C=C(/CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118915297 CQSRUKJFZKVYCY-LHYYPRNGSA-N 414.718 8.025 0 1 HKAF in-vitro C[C@@H]1CC[C@@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 135623231 WQLVFSAGQJTQCK-FWWTVLDCSA-N 414.630 5.714 0 1 HKAF Cc1ccc(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cc[nH]c(=O)c2)c(F)c1F 143169112 IXFWXFPSQUGQID-UHFFFAOYSA-N 424.325 5.025 0 1 HKAF CN(CCCN1CCC(N(c2ccccc2)c2ccccc2)CC1)c1cccc(O)c1 169339960 KZWBFLZOMGUUPV-UHFFFAOYSA-N 415.581 5.521 0 1 HKAF O=C(O)c1c(N2CCCCC2)nc2c(Cl)cc(Cl)cc2c1-c1ccccc1 205463719 CXDOFNPXCPTGNV-UHFFFAOYSA-N 401.293 5.897 0 1 HKAF in-vitro C[C@H]1CC[C@]2(C)[C@@H](C)CC[C@H]3O[C@H]4C[C@]32[C@H]1C1=C4C(C)(C)c2cccc3[nH]cc1c23 238748141 SQICKNKEYQBAKG-BDNMEWNKSA-N 401.594 6.853 0 1 HKAF N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4CCCCC4)n3)c(Cl)cn2)CC1 261175375 UTEWJTHBWDYHHQ-IYARVYRRSA-N 413.997 5.471 0 1 HKAF CCCCCC[C@@H](C)CCCCCCCCCCC(=O)Cc1cc(O)cc(=O)o1 263614330 GYNSQXCBPSRCAW-OAQYLSRUSA-N 406.607 6.965 0 1 HKAF in-vitro COc1ccc(C(=O)N[C@]2(C)CCC[C@]3(C)[C@@H]2CC[C@@]24CC(=O)[C@@](C)(CC[C@@H]32)C4)cc1 299858044 GBWWLDFPPXXXEL-FIVJYGDRSA-N 423.597 5.550 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 299872597 JQMQKOQOLPGBBE-WKPLENCNSA-N 402.663 6.648 0 1 HKAF COc1ccc(NC(=O)Nc2ccccc2Sc2ccnc3ccsc23)cc1 473112052 CNSQLLWBQBAQNW-UHFFFAOYSA-N 407.520 6.100 0 1 HKAF CCCCOc1cc2[nH]c(-c3ccc(CC)c(CC)c3)nc2cc1Br 586879267 KKQANUCXVKZZPG-UHFFFAOYSA-N 401.348 6.296 0 1 HKAF Nc1ccc(-c2ccc3nc(-c4cc(Br)ccc4Cl)[nH]c3c2)cc1N 586980061 GXVPIDCCJMOUTI-UHFFFAOYSA-N 413.706 5.477 0 1 HKAF Cc1ccc(-c2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)cc1 586990811 HKMJFXOBACCEJO-UHFFFAOYSA-N 413.476 6.794 0 1 HKAF CC(=O)c1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 587000002 IXIWVXMQLBGKJF-UHFFFAOYSA-N 421.298 5.202 0 1 HKAF CCCOc1cc2nc(-c3csc4ccc(O)cc34)[nH]c2cc1Br 587031879 BSCIFCRGEGNDOB-UHFFFAOYSA-N 403.301 5.702 0 1 HKAF c1ccc2sc(-c3ccc4nc(C[C@@H]5OCCc6ccsc65)[nH]c4c3)nc2c1 587035222 NWLADHDGEHYQDJ-SFHVURJKSA-N 403.532 5.758 0 1 HKAF Cc1c(F)ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c12 587072441 WRYDZZDZNLOYFY-QGZVFWFLSA-N 403.885 5.472 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cccc(Cl)c2[nH]1)c1cccc(Cl)c1 587072443 WWEOPWHCWCFILH-INIZCTEOSA-N 406.313 5.678 0 1 HKAF N=c1[nH]cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc-2[nH]1 587077152 QOWFBWULZWMCKH-SDNWHVSQSA-N 424.895 5.072 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(F)cc(F)c4[nH]3)c(Cl)cc12 587078647 YFUGWJRRZSXPMP-SNVBAGLBSA-N 418.827 5.693 0 1 HKAF COc1ccc2oc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c(C)c2c1 587100775 IGGQOTXYRWKTRX-UHFFFAOYSA-N 405.453 6.485 0 1 HKAF COc1c(Cl)cc(Cl)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103396 HBDYLXUIRJEFNN-UHFFFAOYSA-N 406.268 6.429 0 1 HKAF CC(C)(C)c1nc2cccc3c2c(c1Cc1ccc(Cl)cc1)-c1ccccc1C3=O 587103447 IGSBSPVZNJQTRU-UHFFFAOYSA-N 411.932 6.988 0 1 HKAF FC(F)(F)c1cccnc1-c1nc2c(Br)ccc(Br)c2[nH]1 587108380 KSAULDSYDNBYLY-UHFFFAOYSA-N 421.014 5.169 0 1 HKAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(F)cc(F)c2[nH]1 587122124 QVVATGTZEMXHIE-UHFFFAOYSA-N 411.355 5.839 0 1 HKAF COc1cccc(-c2cc(F)cc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c2)c1 587160074 FLLQHUXUWGWOLY-UHFFFAOYSA-N 402.347 5.943 0 1 HKAF CCOC(=O)[C@H](c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1)C(C)C 587362899 MPTIKRYMINUWAU-QFIPXVFZSA-N 403.478 5.959 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3c(Cl)cccc3Cl)o1)O2 587375321 LBOKNBSWTRYCMY-IBGZPJMESA-N 418.276 5.763 0 1 HKAF COCOc1cccc([C@@]2(c3ccc(Cl)cc3)CC(=O)c3cc(C)cc(N)c3O2)c1 587377935 LADBIHTVQHQDMU-DEOSSOPVSA-N 423.896 5.122 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C(=O)OC(C)(C)C)c3cc(C)ccc13)O2 587391568 SHHGIOWYBRCJHS-NRFANRHFSA-N 406.482 5.330 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1Oc1cc(C(C)C)ccc1C)O2 587403442 MFFIAQJKICBEST-RUZDIDTESA-N 401.506 6.508 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)c(N)c(C(F)(F)F)c1)CC2=O 587462535 QYZZNDWMVUWJKP-IBGZPJMESA-N 413.823 5.480 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H]2c1ccccc1Cl 587549285 RMEDPRQRHMSYFF-CODAWKSHSA-N 406.865 5.714 0 1 HKAF COc1ccc(C2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 587598622 BTWSGOGSMNRURC-DTWLZNLASA-N 416.473 5.459 0 1 HKAF Cc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587602346 JJGZAXBNYRSIJJ-LSYYVWMOSA-N 422.480 5.914 0 1 HKAF Cc1sc2ccccc2c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619643 UDRJKWWZFJSEMG-QPPBQGQZSA-N 402.471 5.792 0 1 HKAF COc1cc(Cl)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 587692719 LNYHOTIAKVRZDK-QPFGOUBPSA-N 419.121 5.527 0 1 HKAF Cc1cc(Cl)cc2c1OCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587694584 HGLOBVYWKIOHKP-WYRIXSBYSA-N 410.714 5.110 0 1 HKAF Cc1cc(OC(F)F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587716605 JQEPIMDPWQQSJE-BBATYDOGSA-N 414.265 5.430 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3cc(F)ccc32)N1 587726923 AHDBDNHRUSBZEE-BIBXISHDSA-N 408.286 5.066 0 1 HKAF Cc1cc(C)n(-c2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)n1 587763778 MJOPIVYZQUJERD-QKVFXAPYSA-N 414.322 5.014 0 1 HKAF Cc1cccc(N2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)c1C 587765376 BSFGCPLZNZRMGN-OAHLLOKOSA-N 417.366 5.235 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2C(=O)OC(C)(C)C)N1 587793382 NUMPVYGBZNRYEC-BLVKFPJESA-N 420.322 5.167 0 1 HKAF COc1ccc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 587804765 BRGFHEPEYOEJJQ-QKVFXAPYSA-N 400.291 5.374 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2)(C2CC2)N1 587815249 LFKOLQOUWGRVLN-LRTDBIEQSA-N 402.307 5.001 0 1 HKAF CCOc1cccc2cc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)oc12 587832198 ZKCNWTUKJODWJN-LAJNKCICSA-N 418.306 5.531 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCCc1ccccc1 587864460 KCSUUVNCBRTDRH-UHFFFAOYSA-N 402.416 5.631 0 1 HKAF Cc1cccc(OCc2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)o2)c1C 587874488 CPWZWGUZRBXHOH-UHFFFAOYSA-N 404.397 5.272 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3ccnc4ccccc34)n2)cc1 587923474 RAXJMRRDONZNIS-UHFFFAOYSA-N 421.500 7.313 0 1 HKAF COc1cc(C2(c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)CC2)ccc1C 587928125 YWGDLGNDLRROTL-UHFFFAOYSA-N 414.349 5.997 0 1 HKAF O=S(=O)(c1ccc2nc(/C=C/c3cccc4ccccc34)[nH]c2c1)C(F)(F)F 587969433 SRWOGYHHGXXVBP-DHZHZOJOSA-N 402.397 5.180 0 1 HKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3cc(Br)c(Br)cc3[nH]2)C1 587969705 USRMSPQXYQCWOI-NXEZZACHSA-N 400.158 6.018 0 1 HKAF Cc1ccc(-c2cccc([C@]3(C)NCCc4cccc(-c5ccccc5)c43)c2)cc1Cl 962665332 KCEIZWOYJULJMZ-LJAQVGFWSA-N 423.987 7.392 0 1 HKAF C[C@@]1(c2cc(Br)cnc2Cl)c2ccsc2CCN1Cc1ccco1 962702644 FWVOBYLGOHMBCL-SFHVURJKSA-N 423.763 5.474 0 1 HKAF COc1ccc(-c2nc(-c3ccc(C)cc3)n3c2-c2[nH]c4ccccc4c2CC3)cc1 1857561950 JHLHRQPCLOEPBS-UHFFFAOYSA-N 405.501 6.239 0 1 HKAF COC1=CC(c2cc(OC)cc(OC)c2)=NC1=CC=C1N(C)c2ccccc2C1(C)C 1857563505 GOQOUNYFKZJOEG-UHFFFAOYSA-N 416.521 5.232 0 1 HKAF CCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)oc2c1cc(O)c1ccccc12 1857771490 IECRKIGLIYLQST-UHFFFAOYSA-N 401.245 6.442 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1C(=O)CC[C@@]2(C)[C@H]1CC[C@H]2[C@H](C)CC[C@H](C)C(C)C 2356468705 NNSREHRCNOEXOH-NGGZHVCDSA-N 412.658 7.353 0 1 HKAF CC(C)=CCCC(C)=CCC[C@H](C)[C@]1(C)CC[C@@H]2C1=CC[C@H]1C(C)(C)CCC[C@@]21C 2356507271 YURSMGRVNUWHIG-WNNBJMEFSA-N 410.730 9.674 0 1 HKAF C[C@H](CC(=O)CO)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356552202 IPALYVZOVKJMJG-IQZHJIQESA-N 414.630 5.748 0 1 HKAF CCOc1cc(-c2ccc(O)cc2)cc(=Nc2cc(C)cc(C)c2)c2c(C)oc(C)c12 2356732586 XWOGAHNDSHUBIM-UHFFFAOYSA-N 413.517 6.670 0 1 HKAF COc1cc(OC)c2c(c1-c1ccc(OC)c3c(O)cc(C)cc13)C[C@H](C)N(C)[C@H]2C 2356735935 QCRNSFIWXGLJQP-HOTGVXAUSA-N 421.537 5.484 0 1 HKAF CCCC[C@@H]1CC[C@@](CCc2ccc(O)c(OC3CCCC3)c2)(OC(C)=O)C[C@@H]1O 2356770213 AODKBWKXEGJSHL-JHMXWDHMSA-N 418.574 5.299 0 1 HKAF CC(C=C[C@H](C)C(C)C)=C1[C@H](O)CC2=C3C=C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356794620 LHISSQSEJOQIGC-NLTIPEKKSA-N 410.642 6.366 0 1 HKAF CCCCN(C=O)c1c(CC)nc2c(OCc3ccc(C(F)(F)F)cc3)cccn12 61906372 YBHPLCVMXNADDV-UHFFFAOYSA-N 419.447 5.257 0 3 HKAF CCCCCCSc1ccc(-c2nc3cc(C)ccn3c2NC2CCCCC2)cc1 61959670 XRDDSYOJUUPTHM-UHFFFAOYSA-N 421.654 7.727 0 3 HKAF COc1cc(OC)c2c(c1-c1c(C)cc(OC)c3c(OC)cccc13)C[C@@H](C)N[C@H]2C 13359210 RVMRJGIRKITWGW-CVEARBPZSA-N 421.537 5.445 0 1 HKAF biogenic CCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1C 13827677 DDJXXNSQSXYVMT-UHFFFAOYSA-N 420.557 5.558 0 1 HKAF Nc1ccnc2ccc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)cc12 13835530 LGBRWRDQRLXJGW-UHFFFAOYSA-N 403.869 5.302 0 1 HKAF CCCCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1C(F)(F)F 27209631 GDLHFWCCZKQDGB-ONZPZFSWSA-N 411.420 5.297 0 1 HKAF CCCOc1cc2c(cc1C(=C1CC1)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C 28392739 PNIKUCPTOAKVRA-UHFFFAOYSA-N 418.577 7.118 0 1 HKAF O=c1cc(N2CCOCC2)oc2cc(-c3cccc4c3sc3ccccc34)ccc12 28530023 IEKWKNKAXLXFFQ-UHFFFAOYSA-N 413.498 5.665 0 1 HKAF COC(=O)/C=C/C[C@@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 29416944 NMFHEHBJCPXSJD-OEMHODTASA-N 405.494 5.522 0 1 HKAF O=C1Nc2ccc(Cl)cc2[C@](CCF)(c2ccc(F)cc2)N1CC(F)(F)F 36488252 HAXCIXDNRUHENW-KRWDZBQOSA-N 404.766 5.492 0 1 HKAF Cc1cccc(C)c1C1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1 45193548 QLDMRXIOMGTGOO-UHFFFAOYSA-N 403.570 5.174 0 1 HKAF CC(C)Oc1ccc(CNC(=O)[C@@H]2CCC[C@H]2C2=NO[C@](C)(c3ccccc3)C2)cc1 45287310 UQLXBAVXOJZDGU-PLXFJCCSSA-N 420.553 5.198 0 1 HKAF O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@]21CCCCC1=O 49112446 OYVPINFOQJXIJW-KECVVUEUSA-N 422.528 5.092 0 1 HKAF O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1 66111645 VMXPJBULZRPIDC-UHFFFAOYSA-N 418.337 5.457 0 1 HKAF CCCCCc1cc(=O)oc2c(C(=O)CC(C)C)c(O)c(CC=C(C)C)c(O)c12 66114572 WPWGYCSQNLHWAN-UHFFFAOYSA-N 400.515 5.674 0 1 HKAF biogenic C[C@H](O)CCCC12CCC(c3nnc(-c4ccccc4C(F)(F)F)n3C)(CC1)CC2 71319262 LWSUXLRGYIUHPP-XDGVHFHYSA-N 421.507 5.644 0 1 HKAF COC(=O)n1c2ccccc2c2cc(CN3CCC4(C=Cc5ccccc54)CC3)ccc21 73224934 QXFJLUJBRLOYTD-UHFFFAOYSA-N 422.528 5.970 0 1 HKAF CC[C@H](C)Cn1c(-c2ccc(C)o2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188413 FTBXBPPORTZQCZ-IRXDYDNUSA-N 403.530 5.656 0 1 HKAF CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 84586591 NQIUPAJMEMKVPU-YZGSOOAFSA-N 424.713 8.377 0 1 HKAF biogenic,in-vitro CN(c1ccccc1)c1cc2nc(-c3ccccc3)nn(-c3ccccc3)c-2cc1=O 95575399 GZYCLBWGWZBTSI-UHFFFAOYSA-N 404.473 5.167 0 1 HKAF COc1ccc([C@@](CC[C@H](N)C(F)(F)F)(c2ccccc2)c2ccc(C)cc2)cc1 95582173 QHJRJXGAXVKUON-ZEQRLZLVSA-N 413.483 6.008 0 1 HKAF O=C1N(Cc2cccc3ccccc23)CCCC12CCN(c1nc3ccccc3[nH]1)CC2 96173049 QVQBRELNCAXZCF-UHFFFAOYSA-N 424.548 5.125 0 1 HKAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3ccc(-c4ccccc4)cc3CC[C@@H]21 100620827 UQCDAZDJARDVHH-VPUSJEBWSA-N 406.529 5.947 0 1 HKAF CC1(C)CC2=Nc3cc(C(=O)c4ccccc4)ccc3N[C@@H](c3ccccn3)C2=C(O)C1 100632632 AENQUUMXFNYSKC-VWLOTQADSA-N 423.516 6.184 0 1 HKAF Cc1cccc(OCC(=O)N2N=C(Nc3ccccc3)S[C@H]2c2ccccc2)c1 103196651 DBLKAAIZLPWUGX-QFIPXVFZSA-N 403.507 5.031 0 1 HKAF Cc1ccc(-c2cc(-c3ccccc3)nc(-n3nc(-c4ccccc4)cc3O)n2)cc1 103521887 LUUPTEWFMNPTNX-UHFFFAOYSA-N 404.473 5.677 0 1 HKAF CCc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCCCC2)cc1 103692692 YLUXOWKDXAZISV-QHCPKHFHSA-N 406.570 5.706 0 1 HKAF CCN(CC)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC(C)C)cc1 103995878 YXVOWPQQOUUZJR-HSZRJFAPSA-N 424.585 5.929 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)CC[C@@]45C[C@]35CC[C@]12C 118915248 DNRVHCHSZDHKIM-YURLLKAOSA-N 410.686 7.987 0 1 HKAF in-vitro CCCCO[C@@H]1c2c(ccc(OC)c2OC)-c2ccc3cc4c(cc3c2N1C)OCO4 139902185 LWBDYAJQTBSCET-RUZDIDTESA-N 421.493 5.518 0 1 HKAF CCCOc1cncc(C2=CC[C@H]3[C@@H]4CCN5C(=O)CCCC[C@]5(C)[C@H]4CC[C@]23C)c1 146040657 HJTNWSNKRQYGLP-LQPWPTNLSA-N 422.613 5.871 0 1 HKAF Cc1cccc(-c2nc([C@H](C)O)sc2-c2ccnc(NC(=O)c3ccccc3)c2)c1 169326200 YNLQDEHIGSGIDP-INIZCTEOSA-N 415.518 5.486 0 1 HKAF CC[C@H]1[C@H]2[C@H](c3c(c4ccccc4[nH]c3=O)OC2(C)C)[C@@H]1c1ccc(OC)c(OC)c1 169334496 AIEJTGALRIRQJA-ZARRYTOOSA-N 419.521 5.240 0 1 HKAF Cc1cc2c(cc1-c1cnc(OCc3c(F)cccc3Cl)nc1)OC(F)(F)O2 207720019 DISKBJQZHVUTRK-UHFFFAOYSA-N 408.763 5.145 0 1 HKAF Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 214799571 OKEDJTRCSWQCAB-QGZVFWFLSA-N 423.520 6.080 0 1 HKAF C[C@@H](CC(=O)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 255235868 MOYFRUOSASPJJM-GYHWKXNLSA-N 400.603 6.272 0 1 HKAF C1=CN2C/C=C\CN3C=CC(=NCCCCCN=C1c1ccccc12)c1ccccc13 377845842 YEHZTOPIJHUADS-NLNXULOQSA-N 408.549 5.373 0 1 HKAF CCCCOc1cc2nc(-c3c(C)ccc4ccccc34)[nH]c2cc1Br 586883604 LPZBBTUBAIYZHR-UHFFFAOYSA-N 409.327 6.633 0 1 HKAF FC(F)(F)Oc1cc(Br)cc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586883816 LTDHWGFCFMNHOC-PRTSGDIISA-N 415.253 5.692 0 1 HKAF Cc1ccc2c3c(cc(-c4cccnc4Br)nc13)-c1ccccc1C2=O 586992404 BBTLLUIJINQGNT-UHFFFAOYSA-N 401.263 5.579 0 1 HKAF CN(C)CCOc1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1 587050354 IZLZBCMPZJFFJL-UHFFFAOYSA-N 416.308 5.737 0 1 HKAF Cc1cc(Cl)ccc1OCCCc1nc2c(Br)cnc(Cl)c2[nH]1 587065885 BVSDFOGXLRPDLG-UHFFFAOYSA-N 415.118 5.347 0 1 HKAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(Cl)cc(C)c2[nH]1 587124412 WRGPGIKROLXEJL-UHFFFAOYSA-N 423.847 6.522 0 1 HKAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1 587147278 JYNFJIQJCIHENR-UHFFFAOYSA-N 412.749 5.581 0 1 HKAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 587163383 PADAOHDZIXDAAM-UHFFFAOYSA-N 416.399 6.212 0 1 HKAF Nc1ccc(-c2ccc3nc(CN(Cc4ccccc4)c4ccccc4)[nH]c3c2)cc1N 587196758 WLPZPFNVRUBLBJ-UHFFFAOYSA-N 419.532 5.601 0 1 HKAF Cc1c(Br)cc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2c1C 587242732 YLNMSZWKYVWFKX-UHFFFAOYSA-N 408.299 6.058 0 1 HKAF Cc1ccn2c(C)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)nc2c1 587335633 HZBJAKDYUULKMV-DHLKQENFSA-N 416.452 5.070 0 1 HKAF CCOC(=O)[C@H](CC(C)=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587364134 XMJDABWYNYKPKB-HXUWFJFHSA-N 417.461 5.282 0 1 HKAF COc1cccc(-c2c(C)c([C@@H]3CCOC(C)(C)C3)nc3c2oc2ccccc23)c1 587365440 HBKVXAQXYBINTN-GOSISDBHSA-N 401.506 6.638 0 1 HKAF COc1cccc(-c2cc(-c3ncc(C(=O)O)s3)nc3c2oc2ccccc23)c1 587367158 UIAULWYTRGFZLE-UHFFFAOYSA-N 402.431 5.478 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1nc3ccccc3[nH]1)(c1cccc(Cl)c1)O2 587377523 JPPNWWHFGNDELA-DEOSSOPVSA-N 417.896 5.210 0 1 HKAF COc1cc2c3c(c1)OC1(c4cc(Cl)ccc4-c4ccc(Cl)cc41)[C@@H](C2)C3=O 587418514 BTTHHJQVROOADU-IBGZPJMESA-N 409.268 5.674 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OCc4cccc(C)c4)cc1)[C@@H](C2)C3=O 587445371 YGYVMEMPJMUVSN-BKMJKUGQSA-N 400.474 5.245 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCc1ccccc1Cl)CC2=O 587463415 WTWLGIHXXSAWDH-DEOSSOPVSA-N 422.908 6.284 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCc1c(C)noc1C)CC2=O 587481598 GWABQAPCCZGHNJ-QHCPKHFHSA-N 407.466 5.235 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccco2)n2ccccc12 587590072 XDGJOFXFAACMMD-YKSBVNFPSA-N 424.412 5.003 0 1 HKAF CCOc1ccc2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599638 YHQHEEYXPNQXCN-ZEQKJWHPSA-N 412.441 5.647 0 1 HKAF O=C(O)c1cccc2c(CC3CCCC3)c(-c3ccc(OC(F)(F)F)cc3)[nH]c12 587638252 UVMMKDNZFIMUJT-UHFFFAOYSA-N 403.400 6.164 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)cc2F)N1 587712984 RLKNDMLNFRIHPH-PWJLMRLQSA-N 406.192 5.370 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)cc2N2CCCC2)N1 587726664 KJOBWIIXPBBTPJ-YEJXKQKISA-N 421.329 5.125 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC2CCCCC2)(c2ncccn2)N1 587775838 UHNGTEJOQBIRGH-QKKBWIMNSA-N 418.354 5.126 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(COC/C=C/c3ccccc3)nc2c1 587781950 ZRKNDWCLDKSWLR-QPJJXVBHSA-N 400.322 5.831 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C=O)cc3)cc2)N1 587817772 AYHDWOLEEAOQPB-PSLXWICFSA-N 424.313 5.691 0 1 HKAF COc1cc2c(cc1OC)[C@@H](c1cc(Cl)cc(Cl)c1Cl)N(C)[C@@H](C)C2 962629489 HTUAZFKCFJNAQU-OVWNDWIMSA-N 400.733 5.630 0 1 HKAF COc1cc2c(cc1OC)[C@@](c1cccc(C)n1)(c1c(C)cccc1C)N(C)[C@H](C)C2 962630641 NPWXXYLQUCVZGS-NFQMXDRXSA-N 416.565 5.192 0 1 HKAF Cc1cccc(-n2nc(C)c([C@@H]3c4cccc(F)c4CCN3[C@H]3CCSC3)c2C)c1 962693708 CUMLHHMFLXMPRP-CPJSRVTESA-N 421.585 5.390 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(C)cc2)([C@H]2CCOC(C)(C)C2)N1 962947772 KGFIBVFXZOACFT-FYQCMVGJSA-N 402.582 5.849 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2ccccc2C(F)(F)F)(C(C)(C)C)N1 962963972 XKPLNBDJRYXAMP-NPMXOYFQSA-N 400.488 6.401 0 1 HKAF CCCCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 1772599491 GPWQFFOZVVZGKK-UHFFFAOYSA-N 412.533 6.573 0 1 HKAF CC(=O)c1ccc(OCc2nc3ccc(Oc4cc(C)c(N)c(C)c4)cc3n2C)cc1 1857538674 CCUBWAHFKGZTSQ-UHFFFAOYSA-N 415.493 5.346 0 1 HKAF CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](c3ccco3)Nc3c(ccc4c3CCCC4)[C@@H]21 1857593172 BXUYGSHOORFKCF-SXSPYAJSSA-N 408.542 6.013 0 1 HKAF CC(C)(C)c1ccccc1NC(=O)Nc1nc([C@@H](N)CCc2ccccc2)cs1 1857595702 HDKNBEJZYVJZTL-SFHVURJKSA-N 408.571 5.717 0 1 HKAF CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@@](C)(CNC(=O)c3ccccc3)CCC[C@]21C 1857630506 NKIAPGMBTZPDBZ-WYMJOSIYSA-N 403.566 5.891 0 1 HKAF Cc1cc(Cl)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 1911580341 FCQXMKXNNPOBKZ-UHFFFAOYSA-N 418.884 5.265 0 1 HKAF Oc1noc2cc(Oc3ccc(CN4CCC[C@H]4c4ccc(Cl)cc4)cc3)ccc12 1911580666 WPUDEWVQDZEWRU-QFIPXVFZSA-N 420.896 6.316 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C 2356453108 OJFVQALEVDJRGR-OOTWBERBSA-N 412.702 7.801 0 1 HKAF CCCCC[C@H](O)C=CC=CCC1(CC[C@@H](CCC(=O)O)CCC(C)C)CCCC1 2356727485 PFPYIBQENNEECG-RPBOFIJWSA-N 420.678 7.688 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 2356799582 UPEHPQZJYSSSEI-TXJPHZFXSA-N 418.662 5.618 0 1 HKAF O=C(Nc1ccccc1Cl)c1cc([C@@H]2CCCCN2C(=O)c2cccs2)on1 61925560 OYNSEFFXVPZGEU-INIZCTEOSA-N 415.902 5.009 0 3 HKAF CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 4055507 CMQMUMGUIKCFGB-GGAORHGYSA-N 406.913 5.501 0 1 HKAF CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3ccc(F)cc3)s2)o1 13490950 BDMNMAWBZWPSJC-UHFFFAOYSA-N 406.508 5.504 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1cccs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c1c(SC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 34874662 ROBSVNZXWBOPDL-NRFANRHFSA-N 412.558 6.505 0 1 HKAF CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccccc2Cl)n1 35130926 FYYKMJKSGOETDG-UHFFFAOYSA-N 403.313 6.121 0 1 HKAF O=C(O)c1ccccc1Nc1ccc(CCCc2ccc(Cl)cc2Cl)cc1 40935106 QKEHNYOYHPNPEM-UHFFFAOYSA-N 400.305 6.611 0 1 HKAF OCC1CCN(Cc2cccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)c2)CC1 45195540 SMCKQCVCHSGGAJ-UHFFFAOYSA-N 415.512 5.240 0 1 HKAF S=C(NCc1ccccc1)Nc1ccc2c(c1)Cc1cc(Br)ccc1-2 58592908 VHJVQOZKGHCJGX-UHFFFAOYSA-N 409.352 5.507 0 1 HKAF CCCCCCNC(=O)n1c2ccc(Cl)cc2c2ccc([C@@H](C)C(=O)O)cc21 95555553 PVZJNIUPFPAOTA-CQSZACIVSA-N 400.906 5.774 0 1 HKAF CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4CCCC[C@]4(C)[C@H]3CC[C@@]21C 96903595 XIRMANMWPYJKKT-ITWQDKSZSA-N 402.663 6.504 0 1 HKAF Nc1scc(CN2CCn3c(cc4ccccc43)C2)c1C(=O)c1ccc(Cl)cc1 96914677 NFVWVGIFCYQMFJ-UHFFFAOYSA-N 421.953 5.185 0 1 HKAF CCCCCC[C@]1(c2ccccc2)CC(O)=C(SCCc2ccccc2)C(=O)O1 100363938 VDLUNTPWHJULPS-RUZDIDTESA-N 410.579 6.545 0 1 HKAF CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 103200561 QUHKZSAOAMETNC-LJQANCHMSA-N 417.267 6.090 0 1 HKAF COc1ccc(N[C@@H](c2ccccc2Cl)c2c(C)[nH]c3cc(C)ccc23)cc1OC 103244850 MECVKCZZYMNOSX-VWLOTQADSA-N 420.940 6.657 0 1 HKAF CC1(C)CC2=Nc3nn(-c4ccccc4)c(O)c3[C@@H](c3ccc(Cl)cc3)C2=C(O)C1 103627693 VPOPPXONJMDQIU-IBGZPJMESA-N 419.912 6.081 0 1 HKAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc(C)s2)C2=C(O)CC(C)(C)CC2=N1 104083962 RUTHFYBQRWAUQY-QVKFZJNVSA-N 415.555 5.223 0 1 HKAF C[C@@H](N[C@H]1CCCN(c2cccc(OC(F)(F)F)c2)C1)c1cccc2ccccc12 118894668 VKGWUDWKOITHRM-MJGOQNOKSA-N 414.471 6.058 0 1 HKAF C[C@H](C(=O)O)c1ccc(-c2cccc(OC(=O)NCCC3CCCCC3)c2)c(F)c1 143807128 HVZWYUCURZIENB-INIZCTEOSA-N 413.489 5.740 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCCC(=O)N1Cc1cccc(-c2ccccn2)c1 167866678 MUBSGJOPYBKNEH-QFIPXVFZSA-N 416.521 5.410 0 1 HKAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(-c2ccc(Cl)s2)s1 169371879 ULKBAZWILNDSNA-IZEPIZDDSA-N 405.972 5.169 0 1 HKAF Cc1ccccc1S[C@@H]1C(=O)C[C@@](CCc2ccccc2)(c2ccccc2)OC1=O 169684741 CBOOFXWOJSMVFK-RSXGOPAZSA-N 416.542 5.500 0 1 HKAF Cc1ccc2c(c1)N[C@H](c1c(F)cccc1Cl)[C@@H]1C(=O)C[C@@H](c3ccco3)CC1=N2 169722034 YXSNYFJSTBVWMJ-NGSRUVMCSA-N 422.887 6.383 0 1 HKAF O=C(Nc1ccc2[nH]ncc2c1)c1ccc(-c2ccccc2)c(CN2CCCCC2)c1 201758729 PFHDJMPBIHHFII-UHFFFAOYSA-N 410.521 5.468 0 1 HKAF COC(=O)c1ccc(O)c(C/C=C(/C)CC/C=C(/C)CC/C=C(\C)CCC=C(C)C)c1 206722113 UEDRNSGNDIOZJT-AYUIMDJMSA-N 424.625 7.867 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCCC(=O)N1Cc1ccc2sc(C)nc2c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c1cc(O)cc(=O)o1 263614320 GSIGBTWKKXKRKO-FQEVSTJZSA-N 408.579 5.689 0 1 HKAF in-vitro Fc1c(Br)cc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1F 586978897 BSHJAYDAEFJEFK-UHFFFAOYSA-N 423.442 5.082 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587032899 DSJXLGAAQRONEB-LBPRGKRZSA-N 418.444 5.463 0 1 HKAF Clc1cccc(COc2ccc(/C=C/c3nc4ccc5c(c4[nH]3)CCCC5)cc2)c1 587069525 DYBWXXUPGGDMPK-XNTDXEJSSA-N 414.936 6.845 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(C(N)=O)cc2[nH]1 587071391 KQOVUYGZOQMNLE-SIKCBANDSA-N 400.309 5.335 0 1 HKAF C[C@@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1ccccc1C(F)(F)F 587099015 VVPBHEUBTWAGCY-CYBMUJFWSA-N 423.463 7.010 0 1 HKAF COc1cccc(OC(=O)Cc2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)c1 587099308 YMYLPRBGZQJPGP-UHFFFAOYSA-N 423.468 5.220 0 1 HKAF CCCOc1cc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2cc1Br 587111285 CQIIWKKYLVRLOS-UHFFFAOYSA-N 402.214 5.139 0 1 HKAF C[C@]1(c2cc3cc(Cl)ccc3o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333430 SLOPYOFDLHHMDS-ISKFKSNPSA-N 422.839 6.205 0 1 HKAF C[C@@]1(C2(c3ccccc3)CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348950 BAXBJBRZRDEEGJ-AOYPEHQESA-N 416.492 6.161 0 1 HKAF Cc1ccc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)oc2c1 587353267 MTGPJUAZFJHRLK-NOZRDPDXSA-N 402.421 5.860 0 1 HKAF COc1cccc(-c2cc(C(=O)c3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 587357624 JMAJJHVQOBZVTQ-UHFFFAOYSA-N 413.860 6.541 0 1 HKAF COc1cccc(-c2cc(-c3c(F)cc(F)cc3F)nc3c2oc2ccccc23)c1 587360881 SMSRFBSWAGEEMO-UHFFFAOYSA-N 405.375 6.741 0 1 HKAF COc1cccc(-c2cc(-c3ccccc3-n3cccn3)nc3c2oc2ccccc23)c1 587363390 MNOQRALBISQFAJ-UHFFFAOYSA-N 417.468 6.509 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C(=O)O)CC[C@H]3C2(C)C)c1 587364935 AXPMCJIITODQMY-WGDIFIGCSA-N 413.473 5.896 0 1 HKAF C[C@]1(c2ccc3ncsc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587376604 XQGBOZLPAMMGCO-FYYLOGMGSA-N 405.450 5.415 0 1 HKAF COCCCC[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587424034 WKMAGCWDMMGSDC-XMSQKQJNSA-N 420.427 5.174 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(Cl)c(Cl)c4)s1)[C@@H](C2)C3=O 587450355 JPILPKBUHHYEHM-ZSEKCTLFSA-N 417.313 6.219 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(Br)c(C)c1)(C1CC1)CC2=O 587455787 FYXWGEPFQGQWGH-QFIPXVFZSA-N 415.327 5.686 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC)(Cc1ccccc1Br)CC2=O 587456040 JBZUKNCZQVXAHW-NRFANRHFSA-N 403.316 5.464 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC(C)(C)C(=O)O)(c1ccc(Cl)cc1)CC2=O 587462184 NVTWFECYFWSYDT-HSZRJFAPSA-N 416.901 5.360 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccccc3F)cc1)CC2=O 587469382 YXUMWYYAQUKBEL-XMMPIXPASA-N 406.453 5.769 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc3c1CCN3C(=O)OC(C)(C)C)CC2=O 587476409 TYRSEEFAXDOXIG-JOCHJYFZSA-N 423.509 5.349 0 1 HKAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(F)(F)F 587502327 VBJQWCKCAUXERP-LJQANCHMSA-N 406.400 5.222 0 1 HKAF CN(C)/C=C\[C@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587505810 LRXRGHYKOJXPDA-GBJNBNQZSA-N 416.348 5.808 0 1 HKAF O=C1C[C@@H](c2ccc(OCc3cccc(F)c3)cc2)Oc2c1ccc1c2CCCC1 587505860 QIRASHQZBRPCCU-VWLOTQADSA-N 402.465 5.990 0 1 HKAF CCCOc1ccc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546160 IUXGWXRMKRKNBC-OFNKIYASSA-N 410.853 5.537 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCOc1cc(Cl)ccc12 587553293 VGCCBSBFTMFRLS-REWPJTCUSA-N 408.837 5.075 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H]2CCc1ccccc1 587602226 GTYKAKZAIHJMDY-FPDDQMOCSA-N 400.474 5.526 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CN2CCCCC2)s1 587615100 VQJJRFITNAQGKZ-ZJSXRUAMSA-N 421.518 5.143 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccccc2)o1 587615845 HRGRIGSUXPEWGG-ZJSXRUAMSA-N 400.386 5.480 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2sccc2nc1Cl 587618057 MHFOMMQZCAMICK-PXNSSMCTSA-N 409.850 5.358 0 1 HKAF CCc1ccc(O)c(C(=O)c2c(-c3ccc(Cl)cc3)[nH]c3c(C)cc(Cl)cc23)c1 587624726 SUZLBBVUQYVMDJ-UHFFFAOYSA-N 424.327 6.949 0 1 HKAF Cc1cccc(NC(=S)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1C 587658502 RZEULWDQDIZHQN-UHFFFAOYSA-N 421.472 5.204 0 1 HKAF CCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587691248 ADVFCMMUXCDTOM-WLRWDXFRSA-N 412.730 5.654 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3ccnc3)c(Cl)c2)N1 587697824 ULSKTPNEHUUPIO-JEOXALJRSA-N 420.713 5.051 0 1 HKAF CCCCn1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 587757161 NMBBWMBZNBFKNN-RBZFPXEDSA-N 416.338 5.362 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2sc(C(C)(C)C)cc2N)N1 587842844 GOTRCCFXLWTPGM-GIGQVBGESA-N 411.384 5.327 0 1 HKAF Cc1sc(N)c([C@]2(C3CC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587843274 IBZOVZZIXBZWSC-UGZDLDLSSA-N 409.368 5.037 0 1 HKAF Cc1sc(N)c([C@@]2(C3CC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587843275 IBZOVZZIXBZWSC-ZRNGKTOUSA-N 409.368 5.037 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccccc1OC(F)(F)F 587864799 LUYCYKICIMRLMV-UHFFFAOYSA-N 416.321 5.855 0 1 HKAF CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1[C@@H](COc1cc(F)cc(F)c1)N=O 587945378 NUDWIZBVCAUTPG-IBGZPJMESA-N 416.424 5.660 0 1 HKAF CC(C)[C@H](O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@@]12C 888075749 IOWMKBFJCNLRTC-YMJMWSHRSA-N 402.663 6.360 0 1 HKAF C[C@H](c1ccc(Cl)cc1)[C@@]1(C)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962638519 LGZNYCHHIWRKLN-BDJFWFNGSA-N 408.929 5.006 0 1 HKAF C[C@@H]1Cc2ccc(Cl)cc2[C@]12NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962953530 IZVQRUDDGFRTHG-PEBXRYMYSA-N 421.890 5.446 0 1 HKAF Cc1ccnc2c1CCN[C@@]2(C)c1ccccc1-c1cccc(OCc2ccccc2)c1 963074826 YHGLPZAJRJYFON-LJAQVGFWSA-N 420.556 6.045 0 1 HKAF CC(C)(C)c1ccc([C@@]2(C3CCNCC3)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963117404 YQASKLDSRVHENY-SHQCIBLASA-N 406.589 5.387 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccccc1)c1cc2cccc(OC)c2o1 963234852 VSZHPJFIWVRPOV-PIIWDFAUSA-N 411.545 6.390 0 1 HKAF O=C(O)Cc1ccc(NCc2cc3cc(-c4ccc5ccccc5c4)ccc3s2)cc1 1772589901 NSVDAPCCMZJNJR-UHFFFAOYSA-N 423.537 6.961 0 1 HKAF O=C(Cc1cc(Cl)cc(Cl)c1)N1CCC[C@@H](c2nc3ccc(Cl)cc3[nH]2)C1 1772608243 ZRDPYTGNWHKAMO-CYBMUJFWSA-N 422.743 5.472 0 1 HKAF COc1cc2[nH]ccc(=Nc3ccc(OCc4ccc(C)cc4)cc3)c2cc1OC 1857553838 WJGLWXFZXKPJBV-UHFFFAOYSA-N 400.478 5.305 0 1 HKAF CCCCOc1cc2c(cc1OCC)C(C=Cc1ccc(Cl)cc1Cl)=NCC2 1857596270 FVNJFVMQOYVQHR-UHFFFAOYSA-N 418.364 6.630 0 1 HKAF C[C@@H](CC(=O)O)CC(=O)c1c(CCCc2ccccc2)n(C)c2ccc(Cl)cc12 1857655210 HBFMKCKQQXJUQO-MRXNPFEDSA-N 411.929 5.691 0 1 HKAF OCc1cc2c3ccccc3n(Cc3ccccc3F)c2c(-c2c[nH]c3ccccc23)n1 1857765383 APWQXFHJEANWCE-UHFFFAOYSA-N 421.475 6.018 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356648324 WOVIRZFRRNEFES-CGAGHPEVSA-N 414.718 8.313 0 1 HKAF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(-c2ccccc2)cc1 2483437 ULQZAVAIVXCUTQ-DYESRHJHSA-N 420.553 5.443 0 1 HKAF C[C@@H](CCCCOc1cc(-c2cccc(Cl)c2)cc(-c2ccccc2)n1)C(=O)O 13729779 GASIPYCKTLVFKT-KRWDZBQOSA-N 409.913 6.339 0 1 HKAF c1ccc(CN2CCN(c3nc4cc(-c5ccccc5)sc4n4cccc34)CC2)cc1 13755977 XVBNTXFFWWXLMY-UHFFFAOYSA-N 424.573 5.538 0 1 HKAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(SC(C)C)cc2)c1C 13782426 AHEDUZDNVCGQSP-UHFFFAOYSA-N 402.541 5.260 0 1 HKAF Cc1ccc(-c2nc(C/C=C/c3ccc(C[C@@H]4SC(=O)NC4=O)s3)c(C)o2)cc1 29485457 YWJVIGDVQLZDKK-RTLBZRNLSA-N 424.547 5.170 0 1 HKAF CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)cc2C)n1 40393751 FJEANKNQOKTYTP-UHFFFAOYSA-N 423.480 5.301 0 1 HKAF CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NCCO)c1 40950479 LXIZCYKFRPCCJS-UHFFFAOYSA-N 421.622 5.468 0 1 HKAF Nc1cccc(CNCc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)c2)c1 45210085 LKMSWSIVMLQFCE-UHFFFAOYSA-N 410.546 5.830 0 1 HKAF Cc1cccc(C)c1NC(=O)CSc1snnc1-c1ccc2ccccc2c1 45256331 IAEHSFSUCWWRNZ-UHFFFAOYSA-N 405.548 5.706 0 1 HKAF O=C(c1nc2ccccc2[nH]1)[C@@H]1CCCN1C(=O)CCc1ccc(-c2ccccc2)cc1 64539466 CISOPDLTHUTCIT-DEOSSOPVSA-N 423.516 5.036 0 1 HKAF FC(F)(F)c1ccc(CNCc2coc(-c3ccccc3Br)n2)cc1 72185508 BAMTWGWEZHYPIH-UHFFFAOYSA-N 411.221 5.413 0 1 HKAF O=C(NCc1ccccc1)c1cnc(NCC2CCCCC2)nc1-c1ccccc1 82133258 NAPHDAFJKFBPHW-UHFFFAOYSA-N 400.526 5.066 0 1 HKAF Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@@H](c3ccccc3)CS2)cc1 96273666 GMJBHVCHBXJWGH-OAQYLSRUSA-N 419.575 5.598 0 1 HKAF O=c1c2c([nH]n1-c1ccccc1)C=C(c1ccc(F)cc1)C[C@H]2c1ccc(Cl)cc1 96929718 MJMDJMLLAQZDJB-QFIPXVFZSA-N 416.883 6.034 0 1 HKAF CC(C)CCC[C@@]1(c2ccccc2)CC(O)=C(SCCc2ccccc2)C(=O)O1 100364005 AJJWWFWLZXXDQA-VWLOTQADSA-N 410.579 6.401 0 1 HKAF Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc(Cl)c(N)c2)n1 142424637 IRKSIVJLPYEOTE-CQSZACIVSA-N 418.932 5.261 0 1 HKAF Cc1ccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)cn1 143392255 JRUSNWSHZKTZAE-UHFFFAOYSA-N 410.502 6.598 0 1 HKAF O=C(N[C@@H]1CCCC[C@@H]1OCc1ccc(Cl)c(Cl)c1)c1ccc(F)c(F)c1 169350915 QAPBVCOGHARUNP-MOPGFXCFSA-N 414.279 5.529 0 1 HKAF Clc1ccc2c(Nc3ccc4oc(=NCc5ccccn5)[nH]c4c3)ccnc2c1 474610031 ZHFVPODWZDZFAY-UHFFFAOYSA-N 401.857 5.202 0 1 HKAF Cc1cc(Cl)cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 586964999 CPLNGFBBJMUEIP-UHFFFAOYSA-N 409.946 5.334 0 1 HKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc3ncccc3c2[nH]1 586981826 FQIKDJDYUGEFSA-MRXNPFEDSA-N 408.343 6.246 0 1 HKAF CCc1ccc(-c2nc(-c3nc4c(F)cnc(Br)c4[nH]3)cs2)cc1 587015656 GMLGUXOTLULSQP-UHFFFAOYSA-N 403.280 5.212 0 1 HKAF Clc1ccccc1-c1cc(-c2nc3ccc4ncccc4c3[nH]2)c2ccccc2n1 587060912 WHJOVPJLXFKPCY-UHFFFAOYSA-N 406.876 6.647 0 1 HKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(Br)cc(Cl)c2[nH]1 587061091 AGSDBQBVCCISCG-CYBMUJFWSA-N 400.103 6.162 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3ccnc(Br)c3[nH]2)cc1F 587152253 YLMOMEOTIKZMFH-QGZVFWFLSA-N 416.225 5.167 0 1 HKAF Fc1cccc([C@H]2C[C@@H]2c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1F 587152549 PSSAIEZHMOUDLE-CABCVRRESA-N 403.457 6.389 0 1 HKAF CC(C)(C)c1cccc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c12 587153780 CVTLAPAKTANWQS-UHFFFAOYSA-N 423.513 5.467 0 1 HKAF CC(C)[C@H](c1nc2ccc(SC(F)(F)F)cc2[nH]1)N(C)C(=O)OC(C)(C)C 587197313 DVRGQKBEMGTMSL-CQSZACIVSA-N 403.470 5.739 0 1 HKAF C[C@@]1(C(=O)c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330101 NDAIYAASBIYCKN-NZQKXSOJSA-N 410.828 5.185 0 1 HKAF Cc1ccc2c(c1)[C@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356332 JIEPFEPLRDVJHX-ZCYQVOJMSA-N 404.437 5.267 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](c2cccnc2)CC3)c1 587363238 PVOIUKZREFHULF-QGZVFWFLSA-N 406.485 6.324 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1c(C)[nH]c4ccccc14)[C@@H](C2)C3=O 587427163 HEOBJWSXXCHHGS-RXFWQSSRSA-N 413.448 5.315 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cn(C(=O)OC(C)(C)C)c4c(C)cccc14)[C@@H](C2)C3=O 587429903 DNBRLQBLZVCLJQ-GAJHUEQPSA-N 419.477 5.230 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(=O)O)c(F)c3)cc1)CC2=O 587467966 VGRUJZDTKRIVKT-QHCPKHFHSA-N 420.436 5.556 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3cccc(F)c3)cc1)CC2=O 587469433 ZSTFXEBRSSPGFT-SANMLTNESA-N 420.480 5.943 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3ccc(F)cc3)cc1)CC2=O 587469676 BUBHUPYWQABFDN-SANMLTNESA-N 420.480 5.943 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C(=O)OC(C)(C)C)c3ncccc13)CC2=O 587475297 LRJUEFOXOWMMAX-HXUWFJFHSA-N 422.481 5.184 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(-c4ccccc4)sc31)CC2=O 587494031 HQWHHVYNRJGBCJ-DEOSSOPVSA-N 405.519 5.665 0 1 HKAF O=C1C[C@H](c2ccc(-n3cc(Br)cn3)cc2)Oc2c1ccc1c2CCCC1 587498627 OVUHJKALGNYMSL-OAQYLSRUSA-N 423.310 5.220 0 1 HKAF COc1c(Br)cccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587500599 SYBVFTFPYCRVBD-NRFANRHFSA-N 401.300 5.217 0 1 HKAF CCOC(=O)[C@H](Cc1ccc(C)cc1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526867 UPWFXOMYLNRFQK-NVQXNPDNSA-N 406.522 5.020 0 1 HKAF O=C(Oc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1)c1cccs1 587530294 DXUARFOCUHGPNH-OAQYLSRUSA-N 404.487 5.553 0 1 HKAF CSC(=C[C@@]1(c2ccccc2C)CC(=O)c2ccc3c(c2O1)CCCC3)SC 587532355 MEMXGKWNXIZRGJ-XMMPIXPASA-N 410.604 6.302 0 1 HKAF O=C1C[C@@H](c2nc3c(s2)C[C@@H](c2ccccc2)CC3)Oc2c1ccc1c2CCCC1 587535210 JGGMXVURFHOVGC-MBSDFSHPSA-N 415.558 6.001 0 1 HKAF C[C@@]1(c2ccc(SC(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557518 SKDOKOKVXKZQFY-AVRDEDQJSA-N 414.429 5.584 0 1 HKAF C[C@@]1(c2ccccc2OC(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557968 UHPORPKJESHXKJ-RXVVDRJESA-N 416.351 5.168 0 1 HKAF Cc1cccc(OCc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1C 587564678 WBMRMXPPTUBFSK-UHFFFAOYSA-N 403.320 5.556 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Oc2ccccc2)c1 587598918 CIFFMWASDZXPLT-ZEQKJWHPSA-N 410.425 5.887 0 1 HKAF O=C([C@H]1C[C@H]1c1ccc(Cl)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657607 YNDCRMAYQJKSIO-SFTDATJTSA-N 418.855 5.300 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cc(Cl)cc2Cl)N1 587691971 JAROXHZJHCFUDO-GYKQLYQFSA-N 423.540 6.172 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCOc3ccc(Cl)cc32)N1 587701584 VBBRGUZRJALQJC-WYRIXSBYSA-N 410.714 5.192 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cccnc2Cl)N1 587702506 DNBVKBHXBDEUQX-BBATYDOGSA-N 420.713 5.051 0 1 HKAF COc1ccc2c(c1)CCCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587810211 SSMVTQPNXOLFDU-YEJXKQKISA-N 404.323 5.101 0 1 HKAF Cc1ccc([C@]2(c3ccco3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587831923 YTCHPSUVQOVSOX-OYHNWAKOSA-N 414.318 5.624 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1csc2c1CC[C@H](C)C2 587864671 RUZZTKKABANGTE-LBPRGKRZSA-N 420.456 5.452 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1C[C@H]1c1ccccc1 587865840 LFYSTPXLRHBWBE-ZWKOTPCHSA-N 400.400 5.412 0 1 HKAF Cc1ccc(-c2cc(C(F)(F)F)nc(-n3nc4cc3Oc3ccc(F)cc3-4)n2)cc1 587873894 LLXXASZUIVXZLK-UHFFFAOYSA-N 412.346 5.568 0 1 HKAF Cc1ccc(-c2csc([C@@H](C)Cn3nc(C(F)(F)F)cc3C3CC3)n2)cc1C 587920875 OFXDVGCXIJBBES-AWEZNQCLSA-N 405.489 6.323 0 1 HKAF Cc1cccc(-n2nc(C)c([C@H]3c4cccc(F)c4CCN3[C@@H]3CCSC3)c2C)c1 962693705 CUMLHHMFLXMPRP-CJFMBICVSA-N 421.585 5.390 0 1 HKAF CN(C)C(=O)c1ccc2c(c1)[C@](CCCCC1CCCCC1)(c1ccccn1)NCC2 962928856 TZLRXPJJZRZZIE-HHHXNRCGSA-N 419.613 5.313 0 1 HKAF CN(C)C(=O)c1ccc2c(c1)[C@](c1cccc(Cl)c1Cl)(C1CCCC1)NCC2 962931758 PGOBERLAVWHPPS-HSZRJFAPSA-N 417.380 5.275 0 1 HKAF CC(C)C[C@@]1(c2cccc(Br)c2)c2c(F)cccc2C[C@H]2CCCN21 963092692 AFKXJMBVBQYXOG-DENIHFKCSA-N 402.351 5.898 0 1 HKAF Fc1cccc(CC[C@@]2(c3ccccc3Cl)c3c(F)cccc3C[C@@H]3CCCN32)c1 963098315 GLWLUBNUZUSMCT-HFZDXXHNSA-N 423.934 6.515 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C/C/C=C\CCC(=O)OC[C@@H](O)CO 1857581086 JWPHORDRFVRZPP-XTSCSILFSA-N 402.575 5.361 0 1 HKAF Cc1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1C(F)(F)F 1857609605 UYXQGEFSHLNDGZ-UHFFFAOYSA-N 401.388 5.195 0 1 HKAF C[C@@H]1CC[C@@]2(C[C@@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@@H]3[C@H]2C)NC1 2356436122 BERPQBQZDVMCHH-FUZPKKRDSA-N 411.674 5.951 0 1 HKAF CC(C)=CCC[C@@]1(C)C=Cc2cc3oc4c(c3c(O)c2O1)COc1cc(O)ccc1-4 2356446744 QATWTDFKCQHTAE-VWLOTQADSA-N 404.462 6.314 0 1 HKAF CC(C)[C@H](C)C[C@@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356452306 LSZJAIFORSLKOY-OMTONMSHSA-N 416.690 6.606 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 2356463160 QTDBKXCBANSXOY-MQZUPHGCSA-N 418.662 5.618 0 1 HKAF CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)C 2356563317 XJMTWNXFNQAKGS-UHFFFAOYSA-N 406.698 10.157 0 1 HKAF C[C@@H]1[C@H]2[C@H]3CC[C@@H]4C(=CC[C@@H]5C(C)(C)[C@H](O)CC[C@]45C)[C@@]3(C)CC[C@@]2(C)CC[C@H]1C 2356565718 IWLJRULODREZBY-SMZOHOTHSA-N 412.702 7.635 0 1 HKAF COc1ccc(C=C[C@H]2CCC=C[C@H]2c2cc(OC)c(OC)cc2OC)cc1OC 2356579195 UAIKPBWIUUZQGF-RTBURBONSA-N 410.510 5.493 0 1 HKAF CC(C)=CC(=O)OC=C[C@@H]1c2cc(C)oc2[C@]2(O)COC(C)(C)[C@H]3CC[C@@]1(C)C[C@H]32 2356711588 HHCQPXDZMHHIQI-AKWSJDBWSA-N 414.542 5.127 0 1 HKAF COc1cc2c(c(OC)c1-c1c(C)cc3cccc(OC)c3c1O)[C@H](C)N(C)[C@H](C)C2 13359335 BHQAJMGEYYHIGV-CVEARBPZSA-N 421.537 5.484 0 1 HKAF biogenic Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2ccccc2)c1 13487464 FYZHNHHNHSEJGK-UHFFFAOYSA-N 420.921 6.368 0 1 HKAF COc1ccc(CCCCCCNCCOc2cc(F)cc3c2O[C@H](C)CC3)cc1 13780389 QEJMOIFWEGEFLQ-LJQANCHMSA-N 415.549 5.319 0 1 HKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)O[C@@](C)(CCC)[C@@H]1CC[C@@H](CO)C[C@@H]21 13781103 URRORMMJTPTXJI-UOTIDGTBSA-N 416.646 7.084 0 1 HKAF Cc1cc(-c2c(F)cc3c(=O)c(CC4CCCCC4)cn(C4CC4)c3c2F)cc(C)n1 25974840 ZPPRSCBDXBVICX-UHFFFAOYSA-N 422.519 6.416 0 1 HKAF Cc1cc(CCCOc2c(C)cc(-c3ccc(OC(F)(F)F)cc3)cc2C)on1 28711021 BFQLJONDYMIDDH-UHFFFAOYSA-N 405.416 6.177 0 1 HKAF C[C@]12CC[C@]3(CCC(=O)O3)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1 40402406 WNHJVYHUSOTSDL-OECNDAKUSA-N 400.559 5.181 0 1 HKAF CCC[C@@H](C)Nc1nc(C)cc(N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)n1 45186882 UIEFQYMVIXAMDH-GCJKJVERSA-N 417.557 5.047 0 1 HKAF Clc1cc(Cl)cc(Nc2ccnc(Nc3cc(Cl)cc(Cl)c3)n2)c1 45186903 JBBCIBBWVVQCOH-UHFFFAOYSA-N 400.096 6.577 0 1 HKAF O=C(Nc1ccc(Cl)cc1)Nc1ncnc2c1sc(=S)n2-c1ccccc1 45300504 GRUKPBLFNTVBME-UHFFFAOYSA-N 413.915 5.509 0 1 HKAF CCN(CCCN1CCCCC1)c1cc(C)nc(Nc2cc(Cl)ccc2C)n1 45335113 WQZWXMAYQRVYPU-UHFFFAOYSA-N 401.986 5.193 0 1 HKAF CC(C)N1CC2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)[C@H]1c1ccc(F)cc1 58511422 FUFSYTRGRNSZRV-OAQYLSRUSA-N 417.475 5.183 0 1 HKAF Cc1ccc2cc(-c3n[nH]c4ccc(NC(=O)Nc5c(C)noc5C)cc34)[nH]c2c1 66076506 QDLVVVNAGFJUMN-UHFFFAOYSA-N 400.442 5.268 0 1 HKAF O[C@@H]1c2ccccc2CC[C@]1(/C=C/c1ccccc1)Cc1ccc(OC(F)(F)F)cc1 71341999 WCTHZZPZOSCLLW-IBPBZZBOSA-N 424.462 6.507 0 1 HKAF COc1ccc(CCN(C)Cc2coc(-c3cccc4ccccc34)n2)cc1OC 72183543 XDRHQERMQQZGLV-UHFFFAOYSA-N 402.494 5.187 0 1 HKAF C[C@@H]1C[C@H](Nc2cncc(Oc3cccc(Nc4ccccc4)c3)n2)CC(C)(C)C1 82068716 CCQRDDOOHJWTQE-NQIIRXRSSA-N 402.542 6.639 0 1 HKAF Cc1ccccc1CNc1ncnc2c1nc(-c1ccccc1)n2CCc1ccccn1 82180102 PDNVXVOUYHYBGM-UHFFFAOYSA-N 420.520 5.052 0 1 HKAF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1 82224583 XGYTUYGFCHVJIY-UHFFFAOYSA-N 414.553 5.042 0 1 HKAF CCCCCC(=O)Nc1cc(Cl)cc2c1[nH]c1cnc(NCc3ccccc3)cc12 95553840 QBARWEBPRBHVBF-UHFFFAOYSA-N 420.944 6.500 0 1 HKAF O=C(NCc1ccccc1)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O 96924196 YDOHAKZSMYYMRD-UHFFFAOYSA-N 421.305 5.742 0 1 HKAF CCN(CC)Cn1nc(-c2ccccc2)n(-c2ccc(Br)cc2)c1=S 103191535 XXUNARMYCHADCR-UHFFFAOYSA-N 417.376 5.132 0 1 HKAF COc1ccccc1[C@@H]1Nc2ccccc2N=C2C[C@H](c3cccs3)CC(O)=C21 104028282 LJPHCNPWBIXXSO-OWJWWREXSA-N 402.519 6.386 0 1 HKAF CCCCN1C(=O)N(c2ccc(OCC)cc2)[C@H]2N(CCCC)[C@H]1C(C)(C)C2(C)C 105303867 LMMIGDVIKSSQIE-FGZHOGPDSA-N 415.622 5.948 0 1 HKAF O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(C23CC4CC(CC(C4)C2)C3)c1 113789340 UXSVQZKMKNVUKE-UHFFFAOYSA-N 409.913 5.758 0 1 HKAF C[C@H](C/C=C\C(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118938603 CRBBVTAXSNJDMS-ZJXXKZHLSA-N 400.647 6.280 0 1 HKAF C[C@@H]1CC[C@@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 141574806 GMBQZIIUCVWOCD-ZUYFIKEPSA-N 416.646 5.794 0 1 HKAF CC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)cc1 142924948 LEDOHMYBSTZPGZ-UHFFFAOYSA-N 415.880 5.766 0 1 HKAF in-vivo CC[C@@H](C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 169711141 UGPMJKXBWQUZNC-SJBKTWHCSA-N 410.602 5.723 0 1 HKAF O=C(NC[C@H](CC1CC1)c1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl 205778422 FJZHHXCQDLYUDX-ZDUSSCGKSA-N 417.258 5.721 0 1 HKAF C[C@H](CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O 261499001 WVXOMPRLWLXFAP-LIHGAALDSA-N 416.646 6.453 0 1 HKAF endogenous,in-man C[C@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1)c1ccc(F)cc1 299874801 BYRLNCJUPBCBAW-VSUDMRMVSA-N 422.887 5.448 0 1 HKAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(Br)c(O)c4[nH]3)c2)cc1 586879578 HKDBSJRCQFZEFT-UHFFFAOYSA-N 407.267 5.568 0 1 HKAF Cc1c(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)oc2c1[C@H](O)CCC2 586905388 NKSTWTNBMBHSOS-GFCCVEGCSA-N 415.209 5.282 0 1 HKAF Cc1ccc(-c2nc3ccc(O)c4c3c(c2CCCC(=O)O)-c2ccccc2C4=O)cc1 586990991 PPXUXHRJPFHMKP-UHFFFAOYSA-N 423.468 5.535 0 1 HKAF COc1cccc(/C=C2/CCCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)c1 586991424 KFHZCAWDAUVJGP-VKAVYKQESA-N 419.480 6.037 0 1 HKAF Cc1cc(C)c2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2c1 587017249 KGOWINQHSJKJEH-UHFFFAOYSA-N 404.358 5.718 0 1 HKAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cs1 587019776 WEEXSMVXTIPWPW-UHFFFAOYSA-N 417.416 5.273 0 1 HKAF Cn1cc(-c2ncc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)s2)cn1 587021183 GGXTWZRGSFGVQV-UHFFFAOYSA-N 417.338 5.125 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 587029141 IQWKNPNQQAAZRQ-UHFFFAOYSA-N 411.486 5.496 0 1 HKAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc(C(C)(C)C)c2[nH]1 587114030 UFFQIWPWHWKEQB-OAQYLSRUSA-N 403.448 5.279 0 1 HKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(Br)c(F)c2[nH]1 587114940 ZZEMVMXHXFUALL-SECBINFHSA-N 401.201 5.830 0 1 HKAF CC(C)(C)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332496 QVLYCMZWQQMJQJ-RCZVLFRGSA-N 424.899 6.485 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 587333507 STNWLPIHENTSQL-ZWSUVBHBSA-N 422.883 6.250 0 1 HKAF CCCCC[C@@]1(c2cn(C)nc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343682 URHZIIKKJWDAAI-ZCYQVOJMSA-N 422.500 5.408 0 1 HKAF CC(C)COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587345544 FTDXFFMDCDKPKM-RSXGOPAZSA-N 420.480 5.840 0 1 HKAF COc1cccc(-c2cc(/C=C/[C@@H]3C(C)=CCCC3(C)C)nc3c2oc2ccccc23)c1 587365433 KTILDYINCXWWOI-LECGRMGRSA-N 423.556 8.052 0 1 HKAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccccc1F 587384195 BQHRSVNGDOCAPD-QHCPKHFHSA-N 421.468 5.401 0 1 HKAF CN(C)c1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)n1-c1ccccc1 587503279 YIKQVKVLNRQKGJ-FQEVSTJZSA-N 421.928 5.177 0 1 HKAF CC[C@]1(CC(=O)O)Cc2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587529157 JVMAHIRAFGQNHS-CLJLJLNGSA-N 404.506 5.243 0 1 HKAF C[C@@]1(c2c(F)cccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551201 YICJZEVIWCVGSP-NQIIRXRSSA-N 418.342 5.427 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc(OC(F)(F)F)c1 587552582 AWWGHDRARCBQRD-FXAWDEMLSA-N 420.314 5.133 0 1 HKAF C[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558318 WJSLOKZDIZJBOT-RXVVDRJESA-N 416.351 5.168 0 1 HKAF Cc1cccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 587602566 JZRNGCIIGRHXSG-SHQCIBLASA-N 408.453 6.071 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([C@H]2CCCCO2)s1 587612227 LFKPFWSOHSKYFA-NIJIEXERSA-N 408.475 5.398 0 1 HKAF CCOC(=O)c1c([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2ccc([C@@H](C)CC)cc12 587643631 VTGOHDDIHWTMGJ-RDJZCZTQSA-N 414.546 5.583 0 1 HKAF O=c1c2cc(Cl)ccc2cnn1C(=S)Nc1ccc(Oc2ccccc2)cc1 587655165 UXKFNPBLSZLLBU-UHFFFAOYSA-N 407.882 5.087 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cc(Cl)cc2Cl)N1 587691975 JAROXHZJHCFUDO-QZTNRIJFSA-N 423.540 6.172 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)c(Cl)c2)N1 587697846 UPNPHBIRDBDHLB-VVVCHXIZSA-N 403.122 5.693 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2cc(Cl)cc(Cl)c2)N1 587698808 JPOJNWPJXIXDML-MLCYQJTMSA-N 417.149 5.887 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(C(F)(F)F)N1 587700294 AHAPQHXMBPQAHS-SGTLLEGYSA-N 416.256 5.513 0 1 HKAF COc1c(F)cc(F)cc1CC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587714684 AZZYJULDMJSFCG-XTZNXHDOSA-N 414.265 5.083 0 1 HKAF Cc1cccc(C2(c3cccc(C)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587814704 IJIDSNGIDUBKLH-KRWDZBQOSA-N 424.357 6.031 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2C(=O)c2ccccc2)N1 587823160 OOQYESGQTKPIOP-UVQUFPMPSA-N 416.334 5.391 0 1 HKAF CCCC[C@@]1(CCCCC(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 587829145 QURDPVTZTBPCJW-YJYMSZOUSA-N 400.332 5.153 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1cc(C)ccc1C 587858962 QVKGBRLCRSGTQC-UHFFFAOYSA-N 419.308 5.592 0 1 HKAF COc1ccccc1-c1ccc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)cc1 587930797 GKFCCGQNLROLGI-UHFFFAOYSA-N 402.803 6.578 0 1 HKAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2)c1 587933344 YXYQVFWMOBYPQH-UHFFFAOYSA-N 400.356 5.510 0 1 HKAF Cc1ccccc1CC[C@]1(c2cc(F)c(F)c(F)c2)NCCc2ccc(F)c(C)c21 962095660 WAPKAQCHUYRXJW-RUZDIDTESA-N 413.458 5.882 0 1 HKAF C[C@]1(c2ccc(Br)c(F)c2F)NCCc2cccc(-c3ccccc3)c21 962659937 BLOFIAPBYXZMJH-JOCHJYFZSA-N 414.293 5.804 0 1 HKAF C[C@H](Oc1cccc(Cl)c1)[C@]1(C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962701522 GRWJZUVQUXVEGC-LBUQITIBSA-N 405.966 5.525 0 1 HKAF Fc1cc([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c2ncccc2c1 962948772 BVKBAFVSPIMFKR-NRFANRHFSA-N 416.418 5.134 0 1 HKAF COc1ccc(CC[C@]2(c3ccc(F)c(Cl)c3)NCCc3c(C)ccnc32)cc1 963075191 RFMTZBYXQCUQEW-XMMPIXPASA-N 410.920 5.213 0 1 HKAF O=C(O)CCC[C@]1(c2cc(F)cc(Cl)c2)c2c(F)cccc2C[C@H]2CCCN21 963104974 MIHHLLQWIZSFKB-GCJKJVERSA-N 405.872 5.137 0 1 HKAF COc1cccc(CC[C@]2(c3cc(C)ccc3C)NCCc3c(C(=O)O)cccc32)c1 963121024 IMRPKCHOWUZHLN-MHZLTWQESA-N 415.533 5.032 0 1 HKAF S=c1[nH]c2c(c3nnnn13)[C@H](c1ccc(Cl)cc1)c1ccc3ccccc3c1O2 1857597103 WJGZBEZVUBTGIJ-MRXNPFEDSA-N 417.881 5.274 0 1 HKAF COc1c(CC=C(C)C)c(O)cc2c1[C@@H]1Oc3c(ccc(O)c3CC=C(C)C)[C@H]1CO2 2356399324 SHSISVOIQZYVQR-NIYFSFCBSA-N 422.521 5.734 0 1 HKAF CC(C)CCC[C@@H](CO)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356585390 OJUSVVMRDIXPCC-AALSTEHBSA-N 402.663 6.361 0 1 HKAF CC(C)CC=C[C@@H](C(=O)O)C1=CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 2356868408 XBGUSQBSWPZOOX-BOXJJGIDSA-N 414.630 6.229 0 1 HKAF O=C(c1cccnc1)N(Cc1ccccc1)C1(C(=O)Nc2ccccc2)CCCCC1 3222744 ZTQLWUOYAWILJV-UHFFFAOYSA-N 413.521 5.066 0 3 HKAF CCCn1c([C@H]2CCCN2c2nc(-c3ccc(C)cc3)cs2)nc2ccccc21 15937215 URMNNYKLYCWVQT-JOCHJYFZSA-N 402.567 6.220 0 3 HKAF CCOc1cccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCc2ccccc2)c1 773792 REHWQJITOUDTMW-UHFFFAOYSA-N 416.452 5.476 0 1 HKAF O=C(/C=C/c1ccccc1)N(C(=S)OCCOc1ccccc1)c1ccccc1 3648429 ZTBGBZXASWZCDN-WUKNDPDISA-N 403.503 5.114 0 1 HKAF CCc1nc2c(-c3ccc(OC)nc3C(F)(F)F)ccnc2n1[C@@H](C)C1CCC1 13487160 NZSGOJHLBNPHQM-LBPRGKRZSA-N 404.436 5.444 0 1 HKAF Cc1cc(C)cc([C@H](O)/C=C2\C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 13901737 OZBJHOWASPNNLC-XWIIDKNSSA-N 423.600 6.190 0 1 HKAF CCO[P@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCCCC1 26283899 GDZZSAWYMMNRAN-AREMUKBSSA-N 400.484 6.179 0 1 HKAF CCOc1ccc2nc(Sc3ccc(NC(=O)c4ccccc4O)cc3)sc2c1 26507553 APNHKDGIGCRCCR-UHFFFAOYSA-N 422.531 5.804 0 1 HKAF O=Cc1cc(/C=C/C(=O)O)ccc1-c1ccc(O)c(C23CC4CC(CC(C4)C2)C3)c1 28467994 LHAJOROKCPJABM-QHHAFSJGSA-N 402.490 5.437 0 1 HKAF CC1=NC(C)=C(C(=O)O)[C@@H](c2cccc(Cl)c2)/C1=C(\O)OC/C=C/c1ccccc1 28568175 UULGDZGGKIVPDB-QDWUDRRGSA-N 423.896 5.756 0 1 HKAF CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2[C@H](c2cccc(Cl)c2)C1 28893043 UHXAVJMDFYIMLP-DEOSSOPVSA-N 416.968 5.120 0 1 HKAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCCCC2)cn1 34717764 METSTVZJPLKAAR-UHFFFAOYSA-N 420.509 5.244 0 1 HKAF Oc1cc(Nc2ccnc3cc(Cl)ccc23)cc(-c2ccc(C(F)(F)F)cc2)c1 35259257 VCDVZRUBENSXNX-UHFFFAOYSA-N 414.814 7.023 0 1 HKAF C[S@](=O)c1ccc(-c2nc(-c3ccc4ccccc4c3)c(-c3ccncc3)[nH]2)cc1 36351419 IJEKVOJHPYSPSL-SSEXGKCCSA-N 409.514 5.696 0 1 HKAF O=C(NCCC(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1 40402377 OAJFKXVFJAPTQM-UHFFFAOYSA-N 421.540 5.261 0 1 HKAF O=C(CC12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(OCc2ccccc2)cc1 40895808 HFDXWTVYZFIELN-UHFFFAOYSA-N 403.522 5.380 0 1 HKAF CC(C)=CCc1c2c(c(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc13)C=CC(C)(C)O2 43060875 GMVWMCZZGCSTMK-UHFFFAOYSA-N 420.461 5.270 0 1 HKAF biogenic,in-vitro O=C(Nc1nc(-c2cccs2)c(C(=O)C(F)(F)F)s1)c1ccc(Cl)s1 72187822 GLPBWHKASJKWPU-UHFFFAOYSA-N 422.862 5.584 0 1 HKAF [O-][n+]1ccc2c(-c3ccc(F)cc3Cl)ccnc2c1-c1c(Cl)cccc1Cl 73162320 AUZOBOALIFKXNA-UHFFFAOYSA-N 419.670 6.302 0 1 HKAF CN(C)CCCOc1ccc(-c2nnc3ccc(-c4cccc(Cl)c4)cn23)cc1 82081817 VKTBTEMHZFDBAU-UHFFFAOYSA-N 406.917 5.047 0 1 HKAF Fc1ccc(-c2nn(-c3ccccc3)cc2C2=NN[C@@H](c3ccc(F)cc3)C2)cc1 84757590 ILQFVJFCPKXCMQ-JOCHJYFZSA-N 400.432 5.256 0 1 HKAF CC[C@H](C)C(=O)c1c(O)c(C)c(O)c2c1oc1c(C(=O)C(C)C)c(O)c(C)c(O)c12 95558278 SIPJAOYDFTWIRY-VIFPVBQESA-N 414.454 5.093 0 1 HKAF COc1ccc(/C=C/C(=O)NCCCCCNc2ccnc3cc(Cl)ccc23)cc1 95596899 AHHNJTADNKMZIX-KPKJPENVSA-N 423.944 5.309 0 1 HKAF CCOC(=O)c1ccc(NC(=O)NCCC(c2ccccc2)c2ccccc2)cc1 95604434 WHQVNXYNPXRVMQ-UHFFFAOYSA-N 402.494 5.207 0 1 HKAF CC(C)=CCC/C(C)=C\Cc1c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c2c1=O 95918982 GRRICQNASNJYBZ-CHHVJCJISA-N 422.477 5.518 0 1 HKAF biogenic,in-vitro COc1ccc2c(c1)C(c1c[nH]c3ccccc13)(c1c[nH]c3ccccc13)CCS2 103253743 LOKFSDFNSGJUJO-UHFFFAOYSA-N 410.542 6.488 0 1 HKAF CCNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 167310378 MCTJALPCZSZNSV-JLHYYAGUSA-N 400.507 5.029 0 1 HKAF COC(=O)N1C(/C=C\C=C\c2ccc(OC)cc2)=Cc2ccccc2[C@@H]1CC(C)=O 169313680 PSOQXJJOHWTUNT-CDIHVWFTSA-N 403.478 5.408 0 1 HKAF O=C1Nc2ccc(-c3csc(-c4ccncc4)n3)cc2/C1=C/c1cc2ccccc2[nH]1 221765799 DONVQYQVZJJRNL-MOSHPQCFSA-N 420.497 5.846 0 1 HKAF CC1=C2C3=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]4(C)[C@]3(C)CC[C@@]2(C)CC[C@H]1C 257472504 LGVXVLHBYPSFGC-WETPJDBKSA-N 424.713 8.089 0 1 HKAF endogenous,in-man C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1cnc(-c2ccccc2)[nH]1 261123410 JVUNQIZFNNFUQK-JTTXEAGWSA-N 416.609 6.484 0 1 HKAF COc1ccc(-c2c(-c3ccccc3Br)oc3cc(O)ccc3c2=O)cc1 299831467 DUKDRSXPJOVURG-UHFFFAOYSA-N 423.262 5.604 0 1 HKAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 586892290 WJUSYTJEMXLZNR-YJYMSZOUSA-N 403.320 5.258 0 1 HKAF Cc1ncc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(C)c1Br 586978854 KZOCDJIAQVAOKD-UHFFFAOYSA-N 404.617 5.676 0 1 HKAF O=C1c2ccccc2-c2cc([C@H]3C[C@H]3c3c(F)cccc3Cl)nc3ccc(O)c1c23 586986946 RKXVQYIIYGCIKS-LSDHHAIUSA-N 415.851 6.215 0 1 HKAF Clc1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 587000040 KGVYLSCDIJYRLH-UHFFFAOYSA-N 413.706 5.653 0 1 HKAF Fc1cc(Br)c2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2c1 587017342 KDNLGVMTSFVVNY-UHFFFAOYSA-N 409.671 5.303 0 1 HKAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(F)c(C)c3[nH]2)c1 587048749 MPZATBLWXPIXIH-KTKRTIGZSA-N 414.868 5.054 0 1 HKAF Cc1nccc2[nH]c([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc12 587054927 NDMORRQHNAMLDI-ZDUSSCGKSA-N 414.292 6.505 0 1 HKAF C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cnncc2[nH]1 587056812 UWBCDLHBHAUIJP-NSHDSACASA-N 401.253 5.592 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cccc(C(=O)O)c2[nH]1 587069124 CKVMQPCMZBILDB-DAJLKQTQSA-N 401.293 5.934 0 1 HKAF Cc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2n1 587074904 FRIQIDWTBOPOKI-SAPNQHFASA-N 422.919 6.622 0 1 HKAF Fc1ccc(F)c(SCc2cccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2)c1 587141640 YDKWEEFMDHUADD-UHFFFAOYSA-N 422.382 5.561 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c(Cl)c2)cc1F 587146920 BJZPRKDNQWLMPY-UHFFFAOYSA-N 416.861 5.245 0 1 HKAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cccc(OCc3ccccc3)c2[nH]1 587175865 XJEQLDWLROQROI-IBGZPJMESA-N 400.457 5.005 0 1 HKAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 587242554 VWRLAAFOAWMSJL-UHFFFAOYSA-N 412.362 5.264 0 1 HKAF C[C@]1(c2occc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319802 DBXGMOPUPJDDFA-XLIONFOSSA-N 417.230 5.161 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 587329036 BXOFYQSACPRGDB-PFATUAPWSA-N 406.428 5.736 0 1 HKAF Cc1cccc2c1OCCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355921 HDAPXGKSBDBFJD-WIOPSUGQSA-N 404.437 5.267 0 1 HKAF COC(=O)c1cc(F)cc(-c2ccccc2[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587384851 JQHSDNNJBRMSHG-VWLOTQADSA-N 419.452 5.051 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]31C)O2 587405161 UWRQKSQOEQGLQD-LFIHUDIBSA-N 417.549 5.543 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(Cl)c(Cl)c4)cc1)[C@@H](C2)C3=O 587418450 HWFTUWCSDYWZEG-GAJHUEQPSA-N 411.284 6.158 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c[nH]c4cc(OCc5ccccc5)ccc14)[C@@H](C2)C3=O 587438332 NPWHZYLZHKPZMH-FNZWTVRRSA-N 411.457 5.244 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(O[C@@H](C)CC)c(OC)c1)CC2=O 587460009 KKOPQQFNHFMIDZ-RNODOKPDSA-N 418.917 5.891 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)CCc1ccccc1N3C)CC2=O 587488567 PSWBIGNUJDJZQD-AREMUKBSSA-N 413.517 5.918 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H]1CCCC[C@H]1C(=O)O)CC2=O 587491392 VAEPXAPHCKMHIZ-CVBYOTHMSA-N 408.494 5.096 0 1 HKAF CC(C)[C@]1(Cc2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587496089 GYQFTYRHXLPNPT-QHCPKHFHSA-N 413.355 5.931 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC3=NC[C@H](CC)S3)cc1)CC2=O 587498219 ZLQSPKCMNKVKIX-BXKMTCNYSA-N 424.566 5.519 0 1 HKAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 587539128 HVBTVPUKLFHMNL-GHTZIAJQSA-N 411.251 5.166 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cccc(Cl)c1 587550577 XSEZAMVCAZNCCD-URXFXBBRSA-N 417.848 5.539 0 1 HKAF C[C@]1(CCSc2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571384 NQKAHGSOOIMJFO-NZQKXSOJSA-N 410.466 5.434 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1C1CCCCC1 587601474 GKMRKVATZIDTRH-BVAGGSTKSA-N 400.474 6.143 0 1 HKAF CCOC(=O)c1c([C@H]2CCCN2C(=O)OC(C)(C)C)[nH]c2cc(Cl)c(F)cc12 587631668 GRUJWOPTEXSILG-OAHLLOKOSA-N 410.873 5.209 0 1 HKAF CC(C)C[C@@]1(Cc2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587704113 SFEKOZBFWDGVQH-SZNDQCEHSA-N 424.785 6.260 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)cc2C(F)(F)F)N1 587713321 SNLPPKKROBMHTQ-VVVCHXIZSA-N 420.219 5.544 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(F)cccc2C(F)(F)F)N1 587714662 WLJAWMVUXPBBJY-VVVCHXIZSA-N 420.219 5.544 0 1 HKAF Cc1cc(OC(F)(F)F)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587715348 BPBMBOBHDQKSER-BTDLBPIBSA-N 418.228 5.419 0 1 HKAF CC[C@]1(c2cccc(Cl)c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587724862 MBJVNCMXSFUMRY-MLCYQJTMSA-N 400.694 5.569 0 1 HKAF Cc1ccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587742768 TXXYZDJWQUTPOI-ZEHWCEESSA-N 417.366 5.058 0 1 HKAF CCCCC[C@]1(c2ccc(N)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587748833 YUMPFTKTOWITQB-SPLOXXLWSA-N 405.355 5.529 0 1 HKAF Cc1oc(-c2ccccc2)nc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587773450 INSNMFHMGKKCEZ-GTJPDFRWSA-N 415.306 5.349 0 1 HKAF Fc1cc(Br)c2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2c1 587784941 WIEZMTJXVVQRGL-FLIBITNWSA-N 423.285 6.214 0 1 HKAF COc1ccc(C)cc1C(=O)CCc1nc2cc(Br)cc(Cl)c2[nH]1 587787273 MPLDNDTVROGBHV-UHFFFAOYSA-N 407.695 5.111 0 1 HKAF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(C)C 587795818 RVWWDTBYEMZASA-ASSNKEHSSA-N 422.338 5.255 0 1 HKAF Cc1ccc(C2(c3ccc(C)o3)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587828082 MDFAYBQNDGUUGA-LLVKDONJSA-N 404.279 5.217 0 1 HKAF CCCCCCc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587846049 GKBVRBFPQOBWQH-ZUOKHONESA-N 410.396 6.396 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCSc3ccc(Cl)cc32)N1 587858674 SVANQUFCZHRXRA-XTZNXHDOSA-N 412.755 5.515 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2cc(C)cc(C)c2s1 587869947 VQDJWMOBMVRUNZ-UHFFFAOYSA-N 404.417 5.188 0 1 HKAF COc1cc(O)cc(-c2cccc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2)c1 587932941 SBJFNFRLHYRCFA-UHFFFAOYSA-N 418.802 6.283 0 1 HKAF Oc1cc(-c2ccccc2Cl)c(O)n1-c1cc(F)c(Br)cc1F 587943430 BAMFMYKDAKPYPC-UHFFFAOYSA-N 400.606 5.250 0 1 HKAF CC(C)CCCCCCCCCCCCCCCCCc1nc2c(O)ncnc2[nH]1 587957347 KJIWIFKPXILFIL-UHFFFAOYSA-N 416.654 7.499 0 1 HKAF CCOC(=O)CCC[C@]1(c2ccc(F)cc2)c2cc(OC)ccc2CCN1C(C)C 962092339 QKLBBKBSAISVPL-VWLOTQADSA-N 413.533 5.078 0 1 HKAF CCCCC[C@]1(CCCCCCC(=O)OCC)NCCc2c1c(C(C)C)nn2C 962917055 KKQJNEZSAUXVAS-XMMPIXPASA-N 405.627 5.369 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnn(-c3ccc(C(F)(F)F)cc3)c2)N1 962940011 CSUBADAKKNYADG-HRAATJIYSA-N 410.443 5.386 0 1 HKAF CCCc1ccc([C@@]2(c3ccccc3Cl)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963115161 URJZTBFTHDAOHJ-KCWPFWIISA-N 419.971 6.744 0 1 HKAF CC(=O)Nc1ccsc1[C@@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963830440 AQCCHEWEAULRNS-HSZRJFAPSA-N 417.534 5.002 0 1 HKAF CCCCNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772624779 PXQJQRHMXIYBLC-WYMLVPIESA-N 411.509 5.402 0 1 HKAF COc1ccc(C)cc1-c1cc(Cl)cc([C@H](CC(=O)O)c2ncc(C)s2)c1 1772655542 LHJJWUVTKBFYMN-SFHVURJKSA-N 401.915 5.696 0 1 HKAF C[C@H]1C[C@@H](C(=O)Nc2nc3ccc(SC(F)(F)F)cc3s2)CC(C)(C)C1 1857648071 NTFMEXKSFNJAHD-WDEREUQCSA-N 402.507 6.309 0 1 HKAF C[C@H](C1=NC[C@H](C)CC1)[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356540545 BLVNKXGGFFUMSS-BWVWSQRSSA-N 413.646 5.404 0 1 HKAF CC(C)[C@@H](C)C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C 2356578723 COMISLYNEQPREW-CAWATBNQSA-N 414.674 6.383 0 1 HKAF COc1ccc2c3c(c(=O)oc2c1)[C@](C)(CCC=C(C)CC(=O)CC(C)C)[C@H](C)O3 2356725251 BARNHVLIPVGYOX-SSOJOUAXSA-N 412.526 5.572 0 1 HKAF CC=C(C)OC(=O)C[C@@H]1[C@H](OC(=O)C(C)=CC)CC[C@H]2Cc3occ(C)c3C[C@]21C 2356727446 OGARMRCBNAUZBF-FXWJEBAPSA-N 414.542 5.454 0 1 HKAF CCC1=C[C@](C=Cc2ccccc2)(CC)[C@](CC)(C(=O)O)[C@@H]2[C@H](CC)C(=O)[C@H](C)[C@@H]12 2356774637 ALLQJQBDLUMIQH-ARHVCYHASA-N 408.582 6.405 0 1 HKAF COc1ccc(Cc2c(-c3ccco3)nc3c(C)cc(Br)cn23)c(C)c1 72134870 BLCOFJCHJYZLFW-UHFFFAOYSA-N 411.299 5.573 0 3 HKAF COc1ccc(-c2c(Cc3ccccc3)nc(NC(=O)c3ccccc3F)n2C)cc1 203463860 UASVQQBZFJAJKH-UHFFFAOYSA-N 415.468 5.078 0 3 HKAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NCCc2ccc(CC)cc2)c1 2483734 RAKVWZQYRIWEJH-UHFFFAOYSA-N 420.553 5.573 0 1 HKAF Clc1ccc([C@@H](c2c[nH]cc2-c2ccccc2Cl)n2ccnc2)c(Cl)c1 5974408 SDRUARWGCORIAG-FQEVSTJZSA-N 402.712 6.476 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc2oc(-c3ccc(O)cc3O)cc(=O)c2c1O 13309941 CNACUOPDTBOMCZ-VIZOYTHASA-N 422.477 5.518 0 1 HKAF endogenous,in-man Cc1ccc(CO[C@@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1C 27546412 VIENDCBBXXVUAM-URLMMPGGSA-N 411.589 6.115 0 1 HKAF Fc1cccc(CO[C@@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 27547886 ZTQWBNHZWSYFKN-RRPNLBNLSA-N 401.525 5.637 0 1 HKAF O=C(Nc1ccc(Cl)cc1)c1cccc2cc(Oc3ccnc4ccccc34)ccc12 29134702 GWEYWJXZYOROAI-UHFFFAOYSA-N 424.887 7.086 0 1 HKAF CCCC/C(=C(/CCCC)c1cccc(OC(C)=O)c1)c1cccc(OC(C)=O)c1 29228096 CQJPSIPPRMTHEE-OCEACIFDSA-N 408.538 6.828 0 1 HKAF CCC(=O)C(CCCCCCOc1cc(Cl)c(OC)cc1Cl)C(=O)CC 32138846 UUJMCAIDWURKBM-UHFFFAOYSA-N 403.346 5.906 0 1 HKAF CC[C@H](C)/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)CC/C=C(\C)CCC=C(C)C 36330314 YMTDZEGWTFXVOA-ZWWFQZJTSA-N 424.411 5.658 0 1 HKAF CC(C)N1CCn2c(c(C3CCCCC3)c3ccc(C(=O)O)cc32)-c2ccccc21 36350484 RDGAUFRTRMXBJW-UHFFFAOYSA-N 402.538 6.283 0 1 HKAF Cc1cc(/C=C2/C(=O)Nc3cc(F)ccc32)c2ccccc(OCCCN(C)C)c1-2 64548832 UQUUIROQBCSRAJ-KGENOOAVSA-N 404.485 5.062 0 1 HKAF COC(=O)[C@@]1(c2ccccc2)C[C@H]1CN1[C@H]2CC[C@@H]1C=C(c1ccc(Cl)cc1)C2 71319004 ZVHCIKGTRQHMOV-FEVSWUGISA-N 407.941 5.091 0 1 HKAF CCCCN(CC)c1nc(C)nc2c1c(C)c(COC)n2-c1c(C)cc(C)cc1C 73220533 QIOBPEZFEPGVME-UHFFFAOYSA-N 408.590 5.735 0 1 HKAF CC(C)CN(CC(C)C)C(=O)c1cnc(NC2CCCC2)nc1-c1ccc(F)cc1 82141332 FHYADOAEWDRPIO-UHFFFAOYSA-N 412.553 5.391 0 1 HKAF COCCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccccc2)n1 82162506 KVBZVRTUJBSBSI-UHFFFAOYSA-N 400.482 5.222 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC[C@H](C(C)C)[C@@]3(C)CC[C@]12C 85506144 KETZXRQFCKBMKO-GAOOKYTESA-N 410.730 9.054 0 1 HKAF c1ccc([C@@H](c2ccc(CCN3CCCCC3)cc2)C23CC4CC(CC(C4)C2)C3)cc1 95561405 MOWUAJQQTAGGBT-CTSDKZEDSA-N 413.649 7.063 0 1 HKAF CC(C)(Oc1ccc(CCCOc2ccc(/C=C/c3ccccc3)cc2)cc1)C(=O)O 95563691 KAVOGEVLUYEMMM-ZHACJKMWSA-N 416.517 6.111 0 1 HKAF CC(C)CC(=O)N(c1ccc(C(C)(C)C)cc1)[C@H](C(=O)NC(C)(C)C)c1cccnc1 95597438 ABJGQRIVQOOHSK-QHCPKHFHSA-N 423.601 5.414 0 1 HKAF CC[C@@H](C)Sc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(N(C)C)cc1 100703652 GWBSOVYGQUSTAW-ACJLOTCBSA-N 424.570 5.353 0 1 HKAF CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1C 114546544 OWILQQLRRDHHNQ-USWLQZPQSA-N 408.501 6.338 0 1 HKAF CCCCN(c1sc2cc(F)ccc2c1C)S(=O)(=O)c1ccc(C(=O)O)cc1 115232586 XKTBPJXKDRXMRR-UHFFFAOYSA-N 421.515 5.042 0 1 HKAF Clc1cccc([C@H](OC2C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2)c2ccccc2)c1 169295066 QJFFUDZGJNXBLG-OHSXHVKISA-N 417.980 6.642 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@H]1/C(=C/c1ccc(-c4ccc(C)s4)cc1)CN2C3 169369652 WNGKSXJKUCQJJD-FUOLKQSESA-N 407.579 5.400 0 1 HKAF Cc1nc2cc(-c3ccccc3)nn2c(-c2ccccc2)c1[C@@H](OC(C)(C)C)C(=O)O 205294118 SVBIBHXLPXJZKV-HSZRJFAPSA-N 415.493 5.313 0 1 HKAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc(-c2ccc(F)cc2)o1 205440881 PKQBRVJKVBCSBD-UHFFFAOYSA-N 405.429 5.239 0 1 HKAF CC(C)[C@H]1CC[C@@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CCC(=O)C(C)(C)C5=CC[C@@H]4[C@@]3(C)CC[C@@]21C 255197733 BCQNFYWIPQQTGS-SJZOGXMXSA-N 424.713 8.233 0 1 HKAF Fc1ccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCCO5)o3)cc2)cn1 473155010 NYFVEAMOJRKIBP-UHFFFAOYSA-N 421.453 5.001 0 1 HKAF Cc1cc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2cc1F 586998708 NYOWNMKFTZCXHY-UHFFFAOYSA-N 411.274 6.019 0 1 HKAF Brc1cccn2ncc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)c12 587006966 STGFHJFAKPIVJW-UHFFFAOYSA-N 419.282 5.219 0 1 HKAF c1csc(SCc2c(-c3nc4cc5ccccc5cc4[nH]3)oc3ccccc23)c1 587010804 GRIKJEADWCQHHF-UHFFFAOYSA-N 412.539 7.483 0 1 HKAF FC(F)(F)c1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2cc1Br 587015750 AQHIVAPILNYQIY-GFCCVEGCSA-N 418.238 5.319 0 1 HKAF Cc1cc(-c2nc3nc(Cl)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587058685 IDJNBQRCUZUBHP-UHFFFAOYSA-N 423.307 5.342 0 1 HKAF Clc1cccc(COc2ccc(-c3nc4nc(Cl)c(Cl)cc4[nH]3)cc2)c1 587071552 OTBIWJFFIRXJAI-UHFFFAOYSA-N 404.684 6.164 0 1 HKAF COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1C(F)(F)F 587103116 CPJRTWNTIUTREL-UHFFFAOYSA-N 405.375 6.141 0 1 HKAF COc1cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1Cl 587110424 WBSPSWPRUVTPHG-UHFFFAOYSA-N 422.756 6.048 0 1 HKAF O=C(O)c1cccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587111049 NNWRJHWSXXFFFY-UHFFFAOYSA-N 402.294 5.084 0 1 HKAF C[C@@H](CSc1ccc(F)cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 587170181 LJRCZODNISZVJW-QMMMGPOBSA-N 400.704 5.409 0 1 HKAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587201494 OQYANZHFSYHBAY-UHFFFAOYSA-N 417.497 5.756 0 1 HKAF COc1ccccc1Nc1ccccc1-c1nc2c(F)cnc(Br)c2[nH]1 587240906 KMHRLBPIJQSVBF-UHFFFAOYSA-N 413.250 5.279 0 1 HKAF Nc1ccccc1-c1ccc(-c2nc3cc(I)ccc3[nH]2)cc1 587250946 UDCJOGGCFUOFBR-UHFFFAOYSA-N 411.246 5.084 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2Nc2ccccc2)[C@H]1c1ccc(F)cc1 587340622 WFFPNUKHNZSAIA-USZFVNFHSA-N 417.480 5.684 0 1 HKAF CCO[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C12CCCCC2 587350071 DFCQMDHYRYSXJO-TZBSWOFLSA-N 410.485 5.388 0 1 HKAF C[C@@]1(c2ccc(-c3ccccc3)o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352014 JUSLNZCCVWTQAC-AHWVRZQESA-N 414.432 6.066 0 1 HKAF COc1cccc(-c2cc(COc3ccc(F)c(F)c3)nc3c2oc2ccccc23)c1 587359764 HOFLHMVPASXTPU-UHFFFAOYSA-N 417.411 6.514 0 1 HKAF COC(=O)N[C@@H](c1ccccc1)C(C)(C)[C@@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 587385648 DPZRDXSBEJSELC-DHLKQENFSA-N 424.541 5.061 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCOc3ccc(Br)cc31)CC2=O 587461739 YIFJCQRLEJMLBU-NRFANRHFSA-N 417.299 5.141 0 1 HKAF C[C@@]1(CC(=O)Nc2ccc(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587510456 ZAHLQPBTTQYPOS-QFIPXVFZSA-N 418.320 5.625 0 1 HKAF O=C1C[C@]2(CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)Oc2c1ccc1c2CCCC1 587518848 RGQBUZCGZYJRSO-DBTWGZIYSA-N 401.550 5.202 0 1 HKAF COc1ccc2cc(CC[C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2c1 587524217 KNCOLNOFNWLHIS-HHHXNRCGSA-N 400.518 6.084 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1cccc(C(F)(F)F)c1 587543295 BNDXWOHHZXVSCK-QUCCMNQESA-N 414.379 5.374 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cccc1C(F)(F)F 587549440 PZWPGYKWQHWTKU-YLJYHZDGSA-N 420.770 5.767 0 1 HKAF Cc1ccc(-c2cnc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)c(C)c1 587586887 LJLYCMXHQVYAPI-XUZZJYLKSA-N 413.429 5.367 0 1 HKAF CCOc1cccc(OCC)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592965 BLXUCWUBXHUYMT-WIOPSUGQSA-N 420.461 5.067 0 1 HKAF COc1cccc([C@]2(C(C)(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587599895 IQZPRPOTKLFUPV-BWKNWUBXSA-N 404.462 5.304 0 1 HKAF CC[C@@H]1c2cc(OC)ccc2CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587600324 NWWALJCSQPKNTD-ROSOWXQZSA-N 416.473 5.241 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1ccccc1-c1ccccc12 587603629 OKWPXOCEKOCMON-HOFKKMOUSA-N 420.420 5.113 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(C)ccc3O)c(C(=O)c3cccc(F)c3)c2c1 587640966 HOWNAAPEKJSVDP-MRXNPFEDSA-N 401.481 6.733 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](Cc2ccc(Br)cc2)N1 587686224 ZWMODUALFOHJEK-BONVTDFDSA-N 413.128 5.169 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc3ccc(Cl)cc23)N1 587692145 AADAUJCVJYQTGQ-APBUJDDRSA-N 405.698 5.413 0 1 HKAF CC[C@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587692664 HRFGNPLQMLYVFW-XTZNXHDOSA-N 417.149 6.083 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2cccc(C(F)(F)F)c2)N1 587716395 VHHMKILNEPJCTA-BBATYDOGSA-N 416.256 5.815 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(Br)cc(C)c4[nH]3)c2)cc1O 587786612 MEKZIDVLDHNJFO-UHFFFAOYSA-N 409.283 5.682 0 1 HKAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)cc1 587787822 WZXJVTBXBDIUHK-NEPJUHHUSA-N 410.779 5.058 0 1 HKAF CCCC[C@@]1(CCCCC(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587832698 ZZVDKXOSZUNAMO-DJJJIMSYSA-N 400.332 5.153 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccsc3)s2)N1 587846828 IKMBDTZIZADCIE-MGNBDDOMSA-N 408.361 6.002 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2-c2ccsc2)N1 587854209 QMRSLNFMSWRUQY-JEOXALJRSA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1c(F)c(F)c(F)c(F)c1F 587854347 DUYRROCGUWJEJF-UHFFFAOYSA-N 423.168 5.940 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2cccs2)N1 587857089 ZPNIBWMIHHZZDM-FKIZINRSSA-N 402.332 5.940 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1cccc(Br)c1 587872155 ILHCLDHXCZZTQI-UHFFFAOYSA-N 420.307 5.096 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cccc(Br)c4[nH]3)c2C)c(OC)c1 587929704 OXDGJFHMJLBFIP-UHFFFAOYSA-N 423.310 5.985 0 1 HKAF Cc1ccc(-c2ccc(CCC(=O)O)n2NCc2ccccc2Br)s1 587939933 GXBBBYHMJPHCBF-UHFFFAOYSA-N 419.344 5.048 0 1 HKAF CCSc1nc(N)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc(N(C)C)cc1 618016448 DJPVRGZVFJWVRH-QGZVFWFLSA-N 423.586 5.087 0 1 HKAF c1ccc(CC2CCN(C[C@H]3CO[C@@](c4ccccc4)(C4CCCCC4)O3)CC2)cc1 653704230 UYTAEJUXLDFEPH-WUFINQPMSA-N 419.609 5.790 0 1 HKAF Clc1ccc(Nc2nnc(-c3ccc(Br)cc3)s2)cc1Cl 653745031 PWBGZARSYLSTIW-UHFFFAOYSA-N 401.116 6.018 0 1 HKAF Cc1ccc([C@]2(c3ccc(Cl)c(Cl)c3)NCCc3cc(C)c(F)cc32)cn1 962298487 MHXYNLBUIQJSFH-QFIPXVFZSA-N 401.312 5.582 0 1 HKAF COc1cc2c(cc1OC)[C@H](c1ccc(OCc3csc(C)n3)cc1)N(C)[C@@H](C)C2 962637377 WRQMMKMMBWJVNF-OWJWWREXSA-N 424.566 5.014 0 1 HKAF COc1cc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)ccc1C(F)F 962646858 VGWYTHPJRULXOB-OFVILXPXSA-N 420.503 5.469 0 1 HKAF COc1cc2c(cc1OC)[C@@]1(C=C(c3ccccc3)O2)NCCc2c1sc(C)c2C 963025684 OTHWZBPFDAUBMI-RUZDIDTESA-N 419.546 5.205 0 1 HKAF CC[C@@H](C)Oc1c(OC)cccc1[C@H]1c2cccc(Br)c2CCN1C 963278562 BQVLARMBZYAAJE-JLTOFOAXSA-N 404.348 5.212 0 1 HKAF COc1cccc(Nc2nccc3nc(-c4cccc(OC(F)(F)F)c4)[nH]c23)c1 1857604430 CVGYDEQANHYRKP-UHFFFAOYSA-N 400.360 5.276 0 1 HKAF Fc1ccc(-n2nc(CN3CCCCC3)cc2-c2ccc(C(F)(F)F)cc2)cc1 1857618173 PGUVEPWTKGKTBE-UHFFFAOYSA-N 403.423 5.683 0 1 HKAF CC1CCC2(CC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 2356455510 XFPSVMNKBLSWJA-MILUDEDYSA-N 412.658 6.520 0 1 HKAF CC1(C)[C@H]2CC=C3[C@@H](CC[C@]4(C)[C@H](c5c[nH]c(C=O)c5)CC[C@]34C)[C@@]2(C)CC[C@H]1O 2356518390 OSIJEJSDZVRPGU-BZRDPYOJSA-N 409.614 6.261 0 1 HKAF COC(=O)C=CC(C)=CC(C)=C[C@@H]1C(CC(C)=O)=C(C)C=C2C[C@H](C)C(=O)[C@@H](C)[C@H]21 2356572044 NPDRLDWBYQKWPG-IGGQGXQVSA-N 410.554 5.321 0 1 HKAF CC(C)=CCCC(C)=CCC[C@]1(C)OC(=O)[C@@H](C(=O)c2ccc(O)cc2O)[C@H]1C 2356599178 PUFZTKZBPIVBQR-JKHABCDFSA-N 400.515 5.321 0 1 HKAF CC=C(C)C(=O)O[C@@H]1[C@H](O)C[C@]2(C)[C@H](CC[C@@H](C)CC(=O)O)C(C)=CC[C@@H]2C1(C)C 2356599193 QHKXHNFSWCFKJN-PKRKTEKCSA-N 420.590 5.135 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@H](O)C4(C)C)CC3=CC[C@@]12C 2356666349 KYXAMSIYYVIHGX-LMXBKOLUSA-N 424.713 8.255 0 1 HKAF COC(=O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCCCCCc4ccccc4)[C@@H]4C=C[C@@H]1[C@H]2[C@@H]43 2356694969 OVQNZDVEWYMACH-HTEMFJRPSA-N 404.594 6.229 0 1 HKAF C[C@H](C=CC(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 2356728898 XFAZQRAVFBWICT-DNBQKSCASA-N 414.630 6.374 0 1 HKAF Fc1ccc(C[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1 5490550 ROIQDQJQRXREPV-UHFFFAOYSA-N 416.519 7.163 0 3 HKAF CCCc1ccc(-c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)cc1 1485614 JOHCYTYJNROIRJ-UHFFFAOYSA-N 406.529 6.316 0 1 HKAF CCCCCC1=C(C(=O)O)[C@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21 13473454 NXTFWIYFQRCCLO-DEOSSOPVSA-N 424.493 5.755 0 1 HKAF O=C(O)CCc1ccccc1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 13554033 RBEMHPHCMAQKRV-UHFFFAOYSA-N 408.497 6.617 0 1 HKAF O=C(O)c1ccc(CNc2ccc3c(COc4cccc(Cl)c4)cccc3c2)cc1 13560102 AFXOVFUJPCHPGE-UHFFFAOYSA-N 417.892 6.383 0 1 HKAF CC1=C(CC/C(C)=C/CCC2=CC[C@@H](C3=CC(=O)O[C@H]3O)OC2=O)C(C)(C)CCC1 26567386 HGIGODMMBPJRDK-RORFIYASSA-N 414.542 5.063 0 1 HKAF c1ccc(CCCCN2[C@H]3CC[C@@H]2c2c(n(Cc4ccccc4)c4ccccc24)C3)cc1 27102563 FIRXDZAUSDKQNJ-LBNVMWSVSA-N 420.600 6.774 0 1 HKAF O[C@@H](c1cc(-c2ccc(Cl)cc2)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCCN1 27523227 SVTJOSIFLMVFJH-RXVVDRJESA-N 420.862 5.750 0 1 HKAF CCCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 27728438 QXYAZQFFNGRBDF-UHFFFAOYSA-N 402.925 7.243 0 1 HKAF OC1(c2ccccc2)CCN([C@H](c2ccccc2)c2ccccc2C(F)(F)F)CC1 28708185 VBFYXOKBNYPBSS-HSZRJFAPSA-N 411.467 5.778 0 1 HKAF Cc1c(-c2cccc3c(-c4ccccc4)cccc23)nc2ccc(F)cc2c1C(=O)O 29466413 DMFIHANNHYJDFI-UHFFFAOYSA-N 407.444 6.868 0 1 HKAF CC/C=C/c1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccccc1Cl 29545941 KBRBSRYOUQYXPY-IFHAPSOCSA-N 412.942 5.780 0 1 HKAF CC[C@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 33985281 HCXVJBMSMIARIN-ZXGDHLGQSA-N 412.702 7.801 0 1 HKAF CC(C)OC(=O)C1=CN(C(=O)c2ccc(F)cc2)CC(C)(C)c2c1[nH]c1ccccc21 40380224 TZTAQEDKAMQOKQ-UHFFFAOYSA-N 420.484 5.033 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3C=Cc4cc(C(=O)O)ccc4[C@H]3CC[C@]12C)C(C)C 40527407 UNTVUXKLSQXPLR-BKYNKYDCSA-N 409.570 5.583 0 1 HKAF COc1ccc(-c2cccc(C(=O)N[C@@H](CCN(C)C)c3ccc(Cl)cc3)c2)cc1 45283575 UMGBAUKDSHJSOC-DEOSSOPVSA-N 422.956 5.438 0 1 HKAF C[C@H](Oc1ccc2ncc(CCC(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl 45336105 SFRHDNQDYJKYRK-NSHDSACASA-N 407.272 5.239 0 1 HKAF Clc1ccc2[nH]c(Nc3ccc(CCNc4ncnc5ccsc45)cc3)nc2c1 49116501 CASBQOFMGDRBRG-UHFFFAOYSA-N 420.929 5.619 0 1 HKAF COc1ccccc1[C@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccccc1C 49808506 NBKZNTZINHCTDV-CQOQZXRMSA-N 420.509 5.848 0 1 HKAF CC[C@H](C)Nc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc(F)cc2)n1 82139520 GSPRYJQTUWNNGX-SCMUXVNPSA-N 424.564 5.294 0 1 HKAF CCOc1ccc(CCNc2ncc(-c3ncc(CC)s3)c(-c3ccco3)n2)cc1 82165995 FHQBYUCKZBUFAL-UHFFFAOYSA-N 420.538 5.476 0 1 HKAF CCCCCn1c(C(C)C)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 82189848 AGXPLIVVQRMVRP-UHFFFAOYSA-N 420.388 6.101 0 1 HKAF CCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)[C@@H]1CCC(CO)=C[C@@H]21 87722508 MWRDESHZNCJEFU-NHCUHLMSSA-N 400.603 6.527 0 1 HKAF CN(c1ccc(Cl)cc1)c1nc(N(C)c2ccc(Cl)cc2)c2ccccc2n1 90487611 HLPBZDYZYQVIMF-UHFFFAOYSA-N 409.320 6.472 0 1 HKAF CC(C)(C)CC(=O)Nc1sc2c(c1C(=O)N1CCC(F)(F)CC1)C(C)(C)CC2 95562595 YAPKXFBMWACFBF-UHFFFAOYSA-N 412.546 5.218 0 1 HKAF COc1ccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc2)cc1 96271065 GUASZRAHLZIIEE-UHFFFAOYSA-N 418.474 5.433 0 1 HKAF CC(C)Sc1nnc(-c2c(CNC3CC3)c3ccccc3n2C)n1-c1ccccc1 96933338 LIGORHBWUKOWJH-UHFFFAOYSA-N 417.582 5.179 0 1 HKAF CC1=NNC(=O)[C@@H]1[C@@H](c1c[nH]c2ccccc12)c1c(-c2ccccc2)[nH]c2ccccc12 103157441 RSYSQPQKFAIVBB-BJKOFHAPSA-N 418.500 5.570 0 1 HKAF Nc1c2c(nc3c1[C@H](c1ccc(Br)cc1)c1ccc(O)cc1O3)CCCC2 103268667 XDSLJKLJFYBVGH-LJQANCHMSA-N 423.310 5.297 0 1 HKAF Cn1cc(C(=O)Nc2ccc(Cl)cc2F)c(Oc2cccc(C(F)(F)F)c2)n1 103294787 XKAYMIGVASKDIH-UHFFFAOYSA-N 413.758 5.276 0 1 HKAF CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(N(C)C)cc2)C2=C(O)CCCC2=N1 103993355 MOTYBOMTJGZVRA-HSZRJFAPSA-N 408.542 5.437 0 1 HKAF Clc1ccc([C@H]2C[C@@H]3CC[C@@H](S3)[C@@H]2c2cc(-c3ccccc3)no2)cc1Cl 169335826 KWPJGSRDVFKINU-LDHQQMMRSA-N 416.373 7.184 0 1 HKAF CCCCC/C=C/C/C=C\C/C=C\C/C=C/CCCCCC(=O)OC[C@H](O)CO 169364290 UDZUDFKFJCAENZ-IPHOYTRPSA-N 406.607 5.809 0 1 HKAF CCOC(=O)CCn1c(C(C)(C)C)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1C 205359045 GBIZDGNNXKTDGX-UHFFFAOYSA-N 424.463 5.318 0 1 HKAF Cc1cc(-c2n[nH]c3cc(NC(=O)NC(C)(C)c4ccc(Cl)cc4)ncc23)ccn1 205426845 MRNDBZYSTXZBOA-UHFFFAOYSA-N 420.904 5.039 0 1 HKAF O=C(O)COc1ccc(F)c(NCc2cc(-c3cccc(F)c3)ccc2F)c1Cl 218903331 SLIZEFULFOEJHF-UHFFFAOYSA-N 421.802 5.500 0 1 HKAF CC(C)=CCc1cc(-c2oc3c(CC=C(C)C)c(O)cc(C)c3c(=O)c2O)ccc1O 238772552 MITAADMITIUBJL-UHFFFAOYSA-N 420.505 5.903 0 1 HKAF CC[C@H](C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 255222231 KBCUEZZDVQYXRC-YAGSDMAASA-N 414.718 8.025 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@@H]1[C@H](O)C3 256543466 BHMYRYNHHQYGTN-ZZZDDWHZSA-N 414.674 6.814 0 1 HKAF endogenous,in-man COc1ccc2ccc(=O)oc2c1C1=NN(c2ccccc2)[C@H](c2cccs2)C1 299858603 DWYYOYWSIGOLNV-SFHVURJKSA-N 402.475 5.219 0 1 HKAF COc1cc(C(=O)c2c(-c3ccccc3)[nH]c3c(OC)cccc23)cc(OC)c1OC 473086029 ACPMPJJIZOFLRI-UHFFFAOYSA-N 417.461 5.100 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 586915640 GHSALYKCQMXHDR-ORAYPTAESA-N 419.706 5.195 0 1 HKAF Cc1cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2cc1Cl 586959758 LZGAYBKMHBWSIJ-QHCPKHFHSA-N 411.752 5.028 0 1 HKAF Clc1cc(Cl)c(Br)c(-c2nc3cncc(Br)c3[nH]2)c1 586975323 MXVLPARAXSITAF-UHFFFAOYSA-N 421.907 5.457 0 1 HKAF Clc1ccc(OCc2nc3cc(Cl)c(Cl)cc3[nH]2)c(Br)c1 586978000 VWZWKDTWGIPUMA-UHFFFAOYSA-N 406.494 5.865 0 1 HKAF CC(C)C(=O)Nc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586987234 BWVIRZMIMGLXAJ-UHFFFAOYSA-N 408.457 5.413 0 1 HKAF C[C@H]1CCc2sc(-c3nc4c(C(F)(F)F)c(Br)ccc4[nH]3)cc2C1 587034337 SMQAFJKBQFYGOV-QMMMGPOBSA-N 415.278 6.198 0 1 HKAF FC(F)(F)Oc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Cl 587040583 IDTQTBYWPLBWIQ-GOEBONIOSA-N 413.852 5.061 0 1 HKAF Cc1ccc2c(ccc3nc(-c4ccc(Cl)c(-c5ccc(Cl)cc5)c4)[nH]c32)n1 587048241 RGQZQEJIFAQZFH-UHFFFAOYSA-N 404.300 7.060 0 1 HKAF Clc1ccc(Cl)c(-c2ccc(-c3nc4nc(Br)ccc4[nH]3)o2)c1 587050741 LGSZZKROQICBAB-UHFFFAOYSA-N 409.070 5.954 0 1 HKAF Cc1cc(-c2nc3c(C)cccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587060793 DVUHRAZHXIEZPP-UHFFFAOYSA-N 401.901 5.602 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(CCO)cc2[nH]1 587069251 DLIBHGSHELAJEP-WOVWJSPASA-N 401.337 5.771 0 1 HKAF FC(F)(F)c1cc(Cl)c2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2c1 587077478 YWEOWQGLTIQXFJ-UHFFFAOYSA-N 408.210 6.618 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC[C@@](CO)(c1ccccc1)C4)-c1ccccc1C2=O 587100535 CHHXWRPCEBUHQD-MUUNZHRXSA-N 405.497 5.174 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C(C)(C)C 587202886 CCPNNWYWPGWICX-CQSZACIVSA-N 403.420 5.203 0 1 HKAF c1ccc(COc2ccc(-c3ccc(-c4cc5c6c(cccc6n4)CC5)cc3)cc2)cc1 587214867 WHTGFRVKBIFEEY-UHFFFAOYSA-N 413.520 7.246 0 1 HKAF CC(C)(C)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354179 NJSIVHQEIILCKJ-ZEQKJWHPSA-N 404.481 6.222 0 1 HKAF CCCC[C@@H]1Cc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355088 SFRYGXXWYGRCTB-JRLVAEJTSA-N 416.492 6.148 0 1 HKAF C[C@]1(CCc2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357689 NXOHFZJDRUCJLT-UKILVPOCSA-N 420.436 5.010 0 1 HKAF COc1cccc(-c2cc(-c3ccccc3-n3ccnc3)nc3c2oc2ccccc23)c1 587362256 GFZGXUONNJEOGY-UHFFFAOYSA-N 417.468 6.509 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](c2ccccc2)CCC3)c1 587365359 GXICWIWMRWPZNJ-OAQYLSRUSA-N 405.497 7.125 0 1 HKAF CCc1ccc2oc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)cc2c1 587365938 LHGBAURAPXJENI-UHFFFAOYSA-N 419.480 7.632 0 1 HKAF COc1cccc(-c2c(Cc3ccccc3)c(CC(C)C)nc3c2oc2ccccc23)c1 587366531 VBMPOCZTGRTGHE-UHFFFAOYSA-N 421.540 7.446 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccccc3C)nc1-c1ccccc1)O2 587392259 SAAKEBMWEKYGEB-DEOSSOPVSA-N 409.489 5.445 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(Cl)ccc1O)CC2=O 587461005 IRCVUMXDKVEUMJ-XMMPIXPASA-N 408.881 5.613 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cccc(C(F)(F)F)c3)o1)CC2=O 587464257 MKGRUJBMGDONKN-OAQYLSRUSA-N 416.395 6.330 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCCCCCCCCCC[C@@H](C)C1)CC2=O 587481403 LRGCFGOKZQUGEY-JIPXPUAJSA-N 414.630 7.770 0 1 HKAF C[C@]1(c2cccc(N3Cc4ccccc4C3=N)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587518675 NARIJQKZKUJIFB-MUUNZHRXSA-N 422.528 5.792 0 1 HKAF O=C1C[C@H](c2c[nH]c3ccc(OCc4ccccc4)cc23)Oc2c1ccc1c2CCCC1 587523871 IMGZREXYKVHVMQ-HHHXNRCGSA-N 423.512 6.332 0 1 HKAF C[C@@]1(c2ccc(F)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545699 HECMFOQODGSQAI-RXVVDRJESA-N 418.342 5.427 0 1 HKAF C[C@@]1(Cc2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547992 VRVYSSAWFGAEIA-KNQAVFIVSA-N 415.272 5.662 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCC(F)(F)F 587551045 XVKKDPKAZNDXEJ-NQIIRXRSSA-N 416.351 5.036 0 1 HKAF CC(C)(C)c1ccc(CC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587603147 MXAGMDYHLZZSPE-FYYLOGMGSA-N 402.490 5.653 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12c1ccccc1CCc1ccccc12 587604643 UXRNMXHWPIFPDD-VWLOTQADSA-N 420.464 5.396 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12c1ccccc1Sc1ccccc12 587619453 SOBPDHYXYXYFFE-HSZRJFAPSA-N 424.477 5.762 0 1 HKAF CCc1ccc(O)c(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)c2ccc(Cl)cc2)c1 587624091 FBJMOFMAMWUEPQ-UHFFFAOYSA-N 424.327 6.949 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2cccc(C(F)(F)F)c2)N1 587710232 CNHSKNWEPDUXIR-DRTDIBBNSA-N 414.240 5.896 0 1 HKAF Cc1c(F)cccc1-c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587714758 BKNFQXPULGWVCE-FIKIJFGZSA-N 418.281 5.919 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(F)c3)cc2)N1 587734724 VENRCHNCNWGTPR-WHEQGISXSA-N 414.293 6.018 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(F)cc2)N1 587737462 XSODQWBOQACRAJ-FKIZINRSSA-N 403.270 5.142 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C(=O)OC(C)(C)C)c2)N1 587792727 MFIJJUXQCHRAQY-HXPMCKFVSA-N 420.322 5.167 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC2CCCC2)(c2ccccc2)N1 587816513 ZBKMBIOHIFRLNB-OYHNWAKOSA-N 402.351 5.946 0 1 HKAF COc1ccc([C@]2(c3ccco3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587831694 XYSFEFGVZADJHT-ZSEKCTLFSA-N 416.290 5.016 0 1 HKAF COc1ccc(C2(c3nc4cc(C)c(Br)cc4[nH]3)CC3(CCC3)C2)cc1 587936433 LFRFENGYNADODG-UHFFFAOYSA-N 411.343 5.893 0 1 HKAF Oc1ccc(OCCc2ccccc2)n1CC[C@H](c1ccc(F)cc1)c1ccco1 587946049 RUGHUHXYQUNJEO-JOCHJYFZSA-N 405.469 5.770 0 1 HKAF C(=C/c1cccc2ccccc12)\c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587967432 HRUWMJOVGQHNND-FYWRMAATSA-N 403.510 7.163 0 1 HKAF CC(C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)c1cccc(Cl)c1 653856844 NAAALHRVSSIRAA-JOCHJYFZSA-N 418.928 5.796 0 1 HKAF CCOC(=O)[C@H](CC)[C@]1(c2cccc(C(F)(F)F)c2)NCCc2ccc(F)c(C)c21 962304002 YVAFOXACLLBSGH-AVRDEDQJSA-N 423.450 5.132 0 1 HKAF COc1ccc2c([C@]3(C)c4c(ccc(OC)c4OC)C[C@H](C)N3C)c(OC)ccc2c1 962626605 MOFUUMGNBNSBRB-QMTYFTJSSA-N 421.537 5.014 0 1 HKAF CCCCCCOc1ccc([C@@]2(CCCCC(=O)O)NCCc3c(C)ccnc32)cc1 963070606 OURAYRLNCZBRET-AREMUKBSSA-N 424.585 5.383 0 1 HKAF CCOC(=O)CC[C@@]1(c2cc(F)cc(Cl)c2)c2ccc(F)cc2C[C@H]2CCCN21 963096629 FRQCXYIEYJNMPG-NFBKMPQASA-N 419.899 5.226 0 1 HKAF Fc1cccc(CC[C@@]2(c3ccccc3Cl)c3c(F)cccc3C[C@H]3CCCN32)c1 963098327 GLWLUBNUZUSMCT-QFQXNSOFSA-N 423.934 6.515 0 1 HKAF CCCOc1c(Cl)cc([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)cc1OCC 963107114 NRJNVUMGAAJSIF-HTAPYJJXSA-N 403.925 5.777 0 1 HKAF Cc1nc2ccc(-c3ccc(CN4CCC[C@@H]4CO)cc3)cc2n1Cc1ccccc1 1772640985 MDUQMHDMUKHVKM-RUZDIDTESA-N 411.549 5.017 0 1 HKAF O=C(c1ccccc1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc(C(F)(F)F)cc1 1857741881 YLWPBSHHIXLJFZ-HSZRJFAPSA-N 420.434 5.975 0 1 HKAF CCCCCC[C@@H](O)C/C=C\CCCCCCCc1nc(-c2cccc(O)c2)n[nH]1 1857751579 SNUSSGNZBGPYDZ-REBWPMHBSA-N 413.606 6.338 0 1 HKAF Fc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(CN4CCOCC4)n3c2)c1 1857771273 VROWGYPPBWGPMI-UHFFFAOYSA-N 421.903 5.293 0 1 HKAF Fc1ccc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)cc1 1911578569 OMMGDUPQGGUONP-UHFFFAOYSA-N 416.500 5.067 0 1 HKAF CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@@]1(C)[C@H]2CC[C@H]2[C@@H]3C(=O)CC[C@@]3(C)CC[C@@]21C 2356464491 LSUIHIUUMWDFSZ-RWIRJLEGSA-N 400.647 6.402 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)ccc([C@@H]2COc3cc(O)cc(O)c3C2=O)c1O 2356519413 APRUHIYSPZMKAG-IBGZPJMESA-N 424.493 5.103 0 1 HKAF C[C@@H](C=C[C@@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)(C)C 2356549618 BTEISVKTSQLKST-CSJQREKVSA-N 410.686 7.721 0 1 HKAF CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(C(C)C)cc1 775084 AOZNGUNRNPMBEZ-HRAATJIYSA-N 424.516 5.408 0 1 HKAF O=C(O)c1nc2cc(C(F)(F)F)ccc2nc1Nc1ccc(Cl)c(Cl)c1 1648930 SABWWJHJKIMCIF-UHFFFAOYSA-N 402.159 5.397 0 1 HKAF C[C@@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1)c1ccc(F)cc1 4207895 VXIZISJDKXZYAZ-XFEVJDRUSA-N 422.887 5.448 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)N(C(C)C)C1CCCCC1 13747401 JPLKRWMEZJTOPY-UHFFFAOYSA-N 423.623 5.343 0 1 HKAF Clc1ccc(C(Cc2ccccc2)(c2ccc(Cl)cc2)c2cncnc2)cc1 28766199 BYMAOEWKOLRRJM-UHFFFAOYSA-N 405.328 6.361 0 1 HKAF CC[C@H]1C=C2NC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@@H](C)CCCC(C)C)[C@H]12 36189398 YBSFMQHCAIWRPP-CMODHYQLSA-N 413.690 7.348 0 1 HKAF COc1cc(/C=C/Cc2cc(O)c3cc(-c4ccccc4)oc3c2)cc(OC)c1OC 40762577 PLWKMJHOHRKSGA-VQHVLOKHSA-N 416.473 6.087 0 1 HKAF O=C(CCc1c[nH]cn1)Nc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)c1 45324515 CNOJQMYALHRCGX-UHFFFAOYSA-N 407.477 5.191 0 1 HKAF CC(=O)N[C@H](C)c1ccc(-c2ccc(Oc3cccc(Oc4ccccc4)c3)nc2)cc1 45334800 IMNLLULRLRVSSI-LJQANCHMSA-N 424.500 6.530 0 1 HKAF COc1ccc(-n2c(Nc3nc(-c4ccc(Cl)cc4)cs3)n[nH]c2=S)cc1 49069420 GYOZXBMOWLOMQD-UHFFFAOYSA-N 415.931 5.459 0 1 HKAF CNC(=O)c1cc(Oc2ccc3sc(Nc4ccc(Cl)cc4)nc3c2)ccn1 71341635 LIFNMRKOLKQQQM-UHFFFAOYSA-N 410.886 5.240 0 1 HKAF FC(F)(F)c1ccc(-c2nc(CNCc3ccccc3C(F)(F)F)co2)cc1 72185264 HUPSBKYADRTHDM-UHFFFAOYSA-N 400.322 5.669 0 1 HKAF Cc1cccc(-c2nc(NC3CCCCC3)ncc2C(=O)N[C@@H]2CCCC[C@@H]2C)c1 82145094 RUYYNHBFIUPQFO-PGRDOPGGSA-N 406.574 5.505 0 1 HKAF Clc1ccc(C2=NN(c3ncc(Br)cn3)[C@@H](c3ccccc3)C2)cc1 84706514 XCDBSDSSNHRFQD-GOSISDBHSA-N 413.706 5.248 0 1 HKAF C[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C4=CC[C@@]5(C)CCC(C)(C)C[C@@H]5[C@@]4(C)CC[C@H]23)C1(C)C 85644660 FGDSPOBRDAKBOX-MZADZMOWSA-N 424.757 9.444 0 1 HKAF biogenic,in-vitro Cc1c2c(cc[n+]1CCO)c1ccc(OCc3ccccc3)cc1n2Cc1ccccc1 95553654 JTYHIVVKYCFZPV-UHFFFAOYSA-N 423.536 5.010 0 1 HKAF F/C(=C(\c1ccccc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1 95586593 QCJPXRDVHKTAPW-CYYJNZCTSA-N 401.525 6.437 0 1 HKAF Cc1cc([C@@]2(c3cc(C(C)(C)C)ccc3O)C(=O)Nc3ccccc32)ccc1Cl 96937504 AOEBDZRTNXZCFT-RUZDIDTESA-N 405.925 5.938 0 1 HKAF COC(=O)[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccc(SC)cc2)s1 100969844 DKEAXYAQHUXDHX-MOVJDFDCSA-N 411.592 5.176 0 1 HKAF CC[C@H](Cc1cc(Cl)cc(Cl)c1)NS(=O)(=O)c1c(C)cc(C)cc1C 103251360 YBIHCFXAMSLIHT-GOSISDBHSA-N 400.371 5.218 0 1 HKAF CCc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2OC)cc1 104702419 OGEZYZAYNDBJGW-DEOSSOPVSA-N 416.521 5.705 0 1 HKAF O=C1CC[C@@H](c2ccccc2-c2ccccc2)N1Cc1cccc(-c2ccccc2)c1 167694840 ZAMDUPISIIFIES-NDEPHWFRSA-N 403.525 6.884 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccc(C)s2)cc1)C3 195240235 WNGKSXJKUCQJJD-JANNJDDGSA-N 407.579 5.400 0 1 HKAF COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 238731751 BGFFWNIGBDDDCN-UTVNAWBZSA-N 414.674 6.934 0 1 HKAF C/C=C(/C)C(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)O[C@](C)(CC(=O)O)CC[C@H]12 238743845 ZKBZRVVQDYSKMH-GMANOVGDSA-N 420.590 5.521 0 1 HKAF Cc1cc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586878638 HUYMQSONVRJPCZ-UHFFFAOYSA-N 412.367 5.802 0 1 HKAF CCCCCOc1cc2nc(C34CCC(CO)(CC3)CC4)[nH]c2cc1Br 586895585 OAPRCCHZNRYRJO-UHFFFAOYSA-N 421.379 5.479 0 1 HKAF O=C1c2ccccc2-c2c(Cc3ccc(Br)cc3)cnc3ccc(O)c1c23 586985286 UEQUCKMLNWVBIP-UHFFFAOYSA-N 416.274 5.505 0 1 HKAF COC(=O)c1cc(Cl)ccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586993200 MPYYNFVMKIUJJQ-UHFFFAOYSA-N 413.860 5.862 0 1 HKAF Cc1cccc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c12 587014622 VEXHRUACGNHDEY-UHFFFAOYSA-N 420.538 5.933 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(Cl)cc(F)c2[nH]1 587035274 UJQWABHFQHXEIQ-AWEZNQCLSA-N 401.894 5.841 0 1 HKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(Sc3ccccc3)ccc2[nH]1 587067221 ZEXSPQNNGGEFCN-UHFFFAOYSA-N 415.949 7.134 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(F)cc4[nH]3)c(Cl)cc12 587078640 YDNWZUKZHQRADQ-LLVKDONJSA-N 400.837 5.554 0 1 HKAF Cc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1Br 587101593 HYJFMLYECULWBM-UHFFFAOYSA-N 400.275 6.184 0 1 HKAF Cc1c(Br)cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1C 587116703 CGGHPNOBSPUGKD-UHFFFAOYSA-N 413.241 5.083 0 1 HKAF Fc1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1Br 587129664 ZEFDHWXMQNDOFJ-UHFFFAOYSA-N 424.245 6.193 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(F)c(-c4ccc(C(C)=O)cc4)c3)nc2c1 587139259 FDJZTFKKPIVTMB-UHFFFAOYSA-N 422.843 5.679 0 1 HKAF Cc1cc(Br)c2[nH]c(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)nc2c1 587202247 CFGHGPSGRLUKBM-UHFFFAOYSA-N 410.356 5.215 0 1 HKAF CC(C)(C)[C@]1(CCC2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353077 LBWXLEQBARJGDM-JYFHCDHNSA-N 410.529 6.646 0 1 HKAF CCCCCc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 587365107 HWIVBWFWWYMRFQ-UHFFFAOYSA-N 421.540 8.056 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](Cc2ccccc2)C3)c1 587365781 IYIWHQBXAGNWNL-FQEVSTJZSA-N 419.524 7.004 0 1 HKAF COc1cc2c3c(c1)O[C@@]1(CCCC[C@H]1c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587422739 QKZCQWSQFBYFRM-NPPFBWRTSA-N 402.412 5.558 0 1 HKAF COc1cc2c3c(c1)O[C@]1(CC[C@H]1c1ccccc1OCc1ccccc1)[C@@H](C2)C3=O 587444379 SSCJYWLIOWSSLO-BERHBOFZSA-N 412.485 5.338 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(Br)cc1Cl)CC2=O 587457133 FSCJKQQORFIDKY-FQEVSTJZSA-N 423.734 6.031 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-n3ccc(C(F)(F)F)n3)cc1)CC2=O 587464511 RRSGHGWTNWRGGD-IBGZPJMESA-N 416.399 5.256 0 1 HKAF CC(C)(C)OC(=O)NCc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587513721 UDTTVHKYHAVLNJ-JOCHJYFZSA-N 407.510 5.297 0 1 HKAF Cc1ccc(Cl)c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nc12 587551867 KRCWICPACNZVSR-RDPSFJRHSA-N 417.848 5.605 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)CCC[C@@]31Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589700 PVMNQSKPWZNPGU-NVQXNPDNSA-N 411.457 5.375 0 1 HKAF Cc1c(-c2ccc(-c3ccccc3F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623155 ZSFVYFFCAVGZPO-UHFFFAOYSA-N 420.285 6.588 0 1 HKAF CCOC(=O)c1c([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2c(C)cc(Cl)cc12 587626004 BKHKTIHOWGJNMF-CYBMUJFWSA-N 406.910 5.031 0 1 HKAF COc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccc3ccccc3n2)cc1 587632563 JZCLYVSXTPAKNE-UHFFFAOYSA-N 402.856 6.851 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(Cl)c(Cl)c2)N1 587693355 NGBSLVUTQZDHLA-HYORBCNSSA-N 423.540 6.172 0 1 HKAF Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1Cl 587697438 WESYERKQYFRGBQ-HUTHGQBESA-N 403.122 5.827 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ccnc(Cl)c3c2)N1 587704675 KNCCYHXAHVEDBF-YPMLDQLKSA-N 405.698 5.413 0 1 HKAF COc1cc(C(F)(F)F)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587715216 XHGQNBQZXBATDP-XYZCENFISA-N 418.228 5.239 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2F)(C2CCCC2)N1 587727243 MZWZYOJTNULMLX-ZSEKCTLFSA-N 406.314 5.695 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccc(F)cc3)c2)N1 587735823 QJZAQCWRXRPRFS-XMHCIUCPSA-N 414.293 6.018 0 1 HKAF Cc1cccc(-n2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1C 587751650 AIPFFVHBQLTWOZ-FPTDNZKUSA-N 413.334 5.619 0 1 HKAF CC1=C(CC[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)CCC1 587812219 JFEYGAIRDYCLAZ-QRQCRPRQSA-N 408.399 6.644 0 1 HKAF Cc1ccc([C@@]2(C3CCCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587818827 KDAQKBHVKNIQRD-OYHNWAKOSA-N 402.351 5.865 0 1 HKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)C1 587969402 OXAXDNNEIDISCT-NXEZZACHSA-N 405.258 6.154 0 1 HKAF COc1ccc(-c2ccc([C@@H]3c4ccsc4CCN3Cc3cccn3C)cn2)cc1 962368668 BODBWFATOPIOQY-RUZDIDTESA-N 415.562 5.305 0 1 HKAF COc1cccc(CC[C@@]2(c3ccc(F)cc3F)NCCc3ccc(F)c(C)c32)c1 962373773 JDDLRPBSHRBROI-VWLOTQADSA-N 411.467 5.443 0 1 HKAF COc1cc2c(cc1OC)[C@H](c1nc3ccccc3n1CCC(C)C)N(C)[C@@H](C)C2 962624849 LIOJJKHUKAGVFQ-BXKMTCNYSA-N 407.558 5.065 0 1 HKAF c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@H]3c3c[nH]nc3C3CCCCC3)C2)cc1 962645145 SDGSDDMVYIBSGP-HOFKKMOUSA-N 412.581 5.294 0 1 HKAF CCOc1cc([C@H]2NCCc3c(Cl)cc(Cl)cc32)ccc1OCC(F)(F)F 963119698 HJZPQOBDSYBMSG-GOSISDBHSA-N 420.258 5.568 0 1 HKAF C[C@]12CC[C@@](c3ccc(C(F)(F)F)cc3)(O1)[C@H]1C=C[C@H](OC(=O)c3ccccc3)[C@H]12 1857533946 SHXYPDKCANGRBU-JQZONJITSA-N 414.423 5.511 0 1 HKAF COc1ccc([C@@H]2C3=C(Sc4ccc(Cl)cc42)c2ccccc2OC3(C)C)cc1 1857762305 NXAGGNWHGWSWCY-QFIPXVFZSA-N 420.961 7.169 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@]4(C)C3=CC[C@]12C)C(C)C 2356453106 OJFVQALEVDJRGR-GKHGSFLBSA-N 412.702 7.801 0 1 HKAF CC(=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)[C@H](C)C(C)C 2356515370 MGWRVECYAHBEFQ-XSSLUSGWSA-N 412.702 7.801 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O 2356585828 DMPCQZBAZOKWKU-RYBFFDJZSA-N 414.674 6.958 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)=O 2356585829 DMPCQZBAZOKWKU-XITHEFOTSA-N 414.674 6.958 0 1 HKAF C[C@@H]1C(=O)O[C@H]2[C@H]3[C@@H](C)c4nc(CSc5ccccc5)sc4C[C@@]3(C)CC[C@H]12 2356619569 KJMYEPALBFHMKS-LHSFMDRUSA-N 413.608 5.689 0 1 HKAF CCCCNc1c(-c2cccc(Sc3ccc(OC)cc3)c2)nc2ccccn12 61959501 XSSHVZIZVFIZRI-UHFFFAOYSA-N 403.551 6.373 0 3 HKAF Cc1ccc(Cc2c(-c3cccc(Cl)c3)nc3ccc(Br)cn23)cc1 72141650 LIKJUOVNOCBYAW-UHFFFAOYSA-N 411.730 6.316 0 3 HKAF COc1ccc(-c2ccc3c(c2)CN(c2cccc(Cl)c2)Cc2cnnn2-3)cc1 95604528 OZUUTUQSJMRQKU-UHFFFAOYSA-N 402.885 5.117 0 3 HKAF CC(C)(C)c1noc(-c2ccoc2)c1C(=O)NCc1ccc(OC(F)(F)F)cc1 775897 BDSHAUNCSUHJCH-UHFFFAOYSA-N 408.376 5.061 0 1 HKAF COc1c(C)c2c(c(C)c1Cl)Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2 13382707 MTWNEIGWRWQLFS-UHFFFAOYSA-N 403.645 5.611 0 1 HKAF biogenic CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1c2ccccc2COc2ccc(F)cc21 13735203 RWLUEHGGPAVAAQ-VWLOTQADSA-N 417.524 6.736 0 1 HKAF FC(F)(F)c1cc(COC[C@]2(c3ccccc3)CCCNC2)cc(C(F)(F)F)c1 13781112 JCQSGNUMUCYWTO-IBGZPJMESA-N 417.393 5.562 0 1 HKAF N[C@@H](CC[C@@H](N)c1c(Cl)cc(O)cc1Cl)c1c(Cl)cc(O)cc1Cl 26184808 ZHBIHSVEPJVJMD-OKILXGFUSA-N 410.128 5.191 0 1 HKAF C[C@H]1CC(=O)[C@](C)(CCC(=O)O)[C@@H]2CC[C@]3(C)[C@@H]([C@@H](C)CCC(=O)O)CC[C@@H]3[C@@H]12 27517844 VKFJUKMHHGHLBA-BWMKIDCQSA-N 406.563 5.026 0 1 HKAF CCC(CC)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)OC3CCCCC3)CN(C)[C@@H]1C2 27518700 SKNWFEHTHVXKSX-RZPHLTDDSA-N 422.613 5.838 0 1 HKAF Fc1ccc(-c2nn3c(NC4CCCC4)cccc3c2-c2ccc3[nH]ccc3c2)cc1 28890401 GJUQALGZVZGHHJ-UHFFFAOYSA-N 410.496 6.643 0 1 HKAF COc1ccc(CN2CCN(Cc3ccc(OC)cc3)C2/C=C/c2ccccc2)cc1 29131922 SGDZKLALQZAVOA-SFQUDFHCSA-N 414.549 5.061 0 1 HKAF O=C(O)c1c(O)c(Cc2c[nH]c3ccccc23)nc2c(-c3ccsc3)cccc12 35087150 WNJAONHSIYVZMY-UHFFFAOYSA-N 400.459 5.439 0 1 HKAF CCc1ccccc1N[C@H]1CCCc2nc(-c3c(CC)cccc3CC)cc(OC)c21 40413753 APBBOOMZHRZQBM-QHCPKHFHSA-N 414.593 6.934 0 1 HKAF Cc1cc2c(NC(=O)NC3CCN(CCc4ccccc4Cl)CC3)cccc2cn1 45334518 DWNWIVSZCPZMLV-UHFFFAOYSA-N 422.960 5.025 0 1 HKAF CC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@@H]1c1ccc(Br)cc1 53314890 JTFRWVFFXGWODA-QGZVFWFLSA-N 412.114 5.454 0 1 HKAF CC(C)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1 66139267 HATTXEXXJCLNSP-UHFFFAOYSA-N 406.580 5.866 0 1 HKAF COc1cccc(-n2c(/C=C/c3ccccc3)nc3sc4c(c3c2=O)CCCC4)c1 66259851 JGYFWQRDEWQHBM-CCEZHUSRSA-N 414.530 5.505 0 1 HKAF Cc1ccccc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)NCC3CCCCC3)cc2c1 72177258 MQOILMOKFLJWRN-LJQANCHMSA-N 415.581 5.668 0 1 HKAF COc1cccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2OC)c1 104700159 WLKJAIOBWIIVGT-HSZRJFAPSA-N 418.493 5.151 0 1 HKAF NC(=O)c1ccc(-c2cc3c(cc2F)[C@@H](c2ccc(Cl)c(Cl)c2)CNC3)cc1 114513278 ZDIVPUUGCMEOOI-GOSISDBHSA-N 415.295 5.134 0 1 HKAF CCCOc1ccc([C@@H]2[C@@H](c3ccccc3)OC(=O)N2c2ccc3nc[nH]c3c2)cc1 116828916 BPNUFMWEIQORLP-DNQXCXABSA-N 413.477 5.791 0 1 HKAF COc1ccc(S(=O)(=O)c2cnc3cc(F)ccc3c2-c2cccc(F)c2)cc1 166523867 VTSWMYXRFJSJKL-UHFFFAOYSA-N 411.429 5.021 0 1 HKAF O=C(Nc1ccc(-c2c[nH]c(=O)c3ccccc23)cc1)N1Cc2ccc(Cl)cc2C1 167297343 PDYFIAVDSXKHGQ-UHFFFAOYSA-N 415.880 5.396 0 1 HKAF O=C(N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1)C(F)(F)F 169711150 MOINQXFCUHCNNN-MAEOIBBWSA-N 422.491 5.240 0 1 HKAF Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)n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c3ccccc3N[C@@H]2c2ccccc2OC(C)C)C[C@H]1C 299811231 SRHGMBJUUYCDFO-LDLFBNOTSA-N 420.509 5.354 0 1 HKAF O=C(NC[C@@H](CC1CC1)c1cnc(C(F)F)nc1)c1cccc(Cl)c1Cl 473194881 UJBRWGBNEXTWRG-LLVKDONJSA-N 400.256 5.035 0 1 HKAF O=C(O)c1ccccc1/C=C\c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586878131 ADEGVHGLEYEHQL-WAYWQWQTSA-N 411.177 5.213 0 1 HKAF O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ncc[nH]c-6n5)c34)c12 586883157 HXNKMVWYEGVAOO-UHFFFAOYSA-N 416.440 5.643 0 1 HKAF O=C(CCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O)Cc1ccc(F)cc1 586988315 JFOPATVTQXEVRB-UHFFFAOYSA-N 411.432 5.035 0 1 HKAF Cc1ccc2c3c(cc(C=C(C(F)(F)F)C(F)(F)F)nc13)-c1ccccc1C2=O 586992638 HZZFGBLQIZVNFB-UHFFFAOYSA-N 407.313 6.263 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(-n5ccnc5)c(F)c4)nc13)-c1ccccc1C2=O 586995470 LAKSFVKBIFFCMB-UHFFFAOYSA-N 405.432 5.746 0 1 HKAF O=C(O)c1cc(F)cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 587011571 PVDHXDFOFQFCCR-UHFFFAOYSA-N 424.478 6.167 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc4ccccc4cc3[nH]2)C[C@@H]2CCCC[C@H]21 587028467 YHMFCCGPXJECAS-PMOQBDJRSA-N 415.562 5.853 0 1 HKAF OCCc1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587070408 VIBINIQWVLVHML-HEHNFIMWSA-N 402.925 5.925 0 1 HKAF CSc1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587070917 KFKHAITXLPLYJD-GHXNOFRVSA-N 406.938 6.688 0 1 HKAF Cc1c(-c2nc3c(Br)cnc(Cl)c3[nH]2)cnn1-c1ccc(Cl)cc1 587075540 HRRMZNQQMGIEDT-UHFFFAOYSA-N 423.101 5.188 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2c1 587084742 SEXDUQOXWMPSQI-UHFFFAOYSA-N 416.628 5.473 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@@H]1CN(Cc3ccccc3)C[C@@H]1C4)-c1ccccc1C2=O 587095964 ALOMDPRRTKCWHX-YADARESESA-N 416.524 5.526 0 1 HKAF Cc1c(Cc2ccc(Cl)cc2Cl)nc2cccc3c2c1-c1ccccc1C3=O 587103506 ISKMEVPCAYCMRC-UHFFFAOYSA-N 404.296 6.652 0 1 HKAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587109648 QMZOLVOTJJPNMS-UHFFFAOYSA-N 412.367 5.526 0 1 HKAF Fc1c(F)c(F)c(/C=C\c2nc3ccc(OCc4ccccc4)cc3[nH]2)c(F)c1F 587135198 VUGZUDFRPMQIIU-CLFYSBASSA-N 416.349 6.008 0 1 HKAF COC(=O)c1ccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2c1 587141591 VYWOULCHIUFOJZ-UHFFFAOYSA-N 410.445 5.587 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 587195633 KMAJFECXZISXGL-UHFFFAOYSA-N 421.476 5.234 0 1 HKAF CCCCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587352837 YFXIEXDXTPEREX-RSXGOPAZSA-N 420.480 5.985 0 1 HKAF COc1ccc2occ([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2c1 587358022 VIBJLELFHVJIMI-UKILVPOCSA-N 418.420 5.560 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3ccc(O)cc32)[C@H]1c1ccc(F)cc1 587358184 WBUNDPAVXRQFIM-AHKZPQOWSA-N 424.427 5.520 0 1 HKAF CCCCc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 587364473 AVCUFVPEDZJKSD-UHFFFAOYSA-N 407.513 7.666 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cccc(N)c1)(c1ccc(C)c(C)c1)CC2=O 587468201 BXNFZKLQYUIDPQ-AREMUKBSSA-N 401.506 5.453 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1Oc1cc(C)cc(C)c1)CC2=O 587481982 QSGMJCCTSUBGCK-VWLOTQADSA-N 402.490 6.460 0 1 HKAF CCOC(=O)[C@H](CC)[C@]1(c2cccc(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587527541 WLVMDNXDUZGRJB-BKMJKUGQSA-N 422.521 5.024 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCC(F)(F)F)cc1 587548124 NJPLTIBNUIDDPC-NQIIRXRSSA-N 416.351 5.036 0 1 HKAF CC(C)CCOc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595574 KZAVHWVIAUJDET-RDGATRHJSA-N 404.462 5.520 0 1 HKAF CCCCCC[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613239 XMPZDRVAPKLQGS-OZXSUGGESA-N 418.489 5.925 0 1 HKAF CCOC(=O)C(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cc(Cl)c(F)cc12 587630196 VJAVDUKNJALOPP-UHFFFAOYSA-N 413.754 5.392 0 1 HKAF CC(C)[C@]1(CCc2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587703723 ZKSCVVQPUHMUAG-SZNDQCEHSA-N 424.785 6.260 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)c(Cl)cc2Cl)N1 587722935 UPAUXLXONQWOKW-WNWIJWBNSA-N 421.112 5.832 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC=C2NNc2ccccc2)N1 587749174 NHDHDBTXDBOTOS-SPLOXXLWSA-N 416.338 5.002 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNc3cc4ccccc4cc32)N1 587800081 ZVXHWNFZKKRYMG-MCMMXHMISA-N 411.318 5.335 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)CCC[C@@]31N[C@H](C)Cc2ccc(F)c(Br)c21 587801227 DXGYVJBBKQHNOV-DMZKTXOQSA-N 413.334 5.492 0 1 HKAF Cc1ccc([C@]2(C3CCCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587818825 KDAQKBHVKNIQRD-NYHFZMIOSA-N 402.351 5.865 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccccn3)o2)N1 587845464 REHDOOMLLXDKFG-WYRIXSBYSA-N 419.319 5.351 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(C3CCCCC3)s2)N1 587853859 OHMZYESRRPGXPG-ADLMAVQZSA-N 409.368 5.716 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncc(Cl)cc1Cl 587857545 ROWSXMKEECEISA-UHFFFAOYSA-N 403.096 5.947 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(Cl)cccc3s2)N1 587859606 XOOHJMPCIZFTDB-YYSFKGJASA-N 410.739 6.080 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CNc1ccccc1C 587865245 YKLJQTSRQPLJPM-UHFFFAOYSA-N 403.404 5.028 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccc(-c2ccc(C)o2)n1 587865824 KRWOXLYEXGQRMK-UHFFFAOYSA-N 414.387 5.315 0 1 HKAF CN(c1ccc(-c2csc(-c3cccc(Cl)c3Cl)n2)cc1)S(C)(=O)=O 587923742 JIBLZPYCYFLHFZ-UHFFFAOYSA-N 413.351 5.180 0 1 HKAF Fc1ccc([C@]2(c3ccc(F)c(F)c3)NCCc3cc(-c4ccccc4)ccc32)cc1 962675500 ZTVOYBIDLRDGSQ-HHHXNRCGSA-N 415.458 6.209 0 1 HKAF COc1ccc([C@@H]2C[C@]3(c4ccc(F)cc4C[C@H]4CCCN43)c3ccccc3O2)cc1 963103937 OWTDDCAVGGNBPA-AIGMYPEUSA-N 415.508 5.622 0 1 HKAF C[C@]1(c2ccc(F)c(F)c2Br)NCCc2c(Cl)cc(Cl)cc21 963125226 SCOJUIXUBDBOOT-MRXNPFEDSA-N 407.085 5.443 0 1 HKAF CN(Cc1ccccn1)Cc1ccccc1CNc1ccnc2cc(Cl)ccc12 1772610755 USIUJTCREYCQPD-UHFFFAOYSA-N 402.929 5.527 0 1 HKAF C[C@@H]([C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](O)CCC(C)(C)C 1857536515 SWBPHHNEYRLOHW-TUAZXPCNSA-N 416.690 6.750 0 1 HKAF CCN(CC)CCC[C@@H](C)N=c1[nH]c(/C=C/c2ccc(F)cc2)nc2ccccc12 1857554267 IASCLLHWLHRCKL-DQSGYLJSSA-N 406.549 5.284 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCOCCO 1857568015 ZNEZNDHAGYAACZ-KUBAVDMBSA-N 415.618 5.589 0 1 HKAF C[C@H](CC[C@@H](O)C1CC1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857575771 YGYRVCWLOZJWRP-WWTHFBDISA-N 414.674 6.504 0 1 HKAF CCCCCCC(=O)Nc1ccc2c(c1)CCC[C@@H]2Cc1ccc(C(F)(F)F)cc1 1857586796 SBHXIACZQXJMKS-LJQANCHMSA-N 417.515 7.277 0 1 HKAF O=C(/C=C/c1ccccc1)Nc1nc(-c2ccc3sc4ccccc4c3c2)cs1 1857757084 DAPCTXSOFWZNMH-JLHYYAGUSA-N 412.539 6.830 0 1 HKAF C[C@H]([C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H]1NCOC[C@@]14C)N(C)C 2356623506 WQJGXMIIUOPURY-YMAMUELVSA-N 412.662 5.388 0 1 HKAF CC(=CCCC1=CC[C@H]([C@@H]2COC(=O)C2)O[C@@H]1O)CCC1=C(C)CCCC1(C)C 2356630704 AIPOJIGVVVFLQI-FJIJXJHWSA-N 402.575 5.617 0 1 HKAF CC1(C)OC[C@]2(C[C@@]34CC[C@@]5(C)[C@@](C)(CCC[C@@]5(C)C(=O)O)[C@]3(C)CC[C@H]2C4)O1 2356658052 DAKMSHJUXZBDNR-QJZCFIEESA-N 404.591 5.786 0 1 HKAF O=C(NCCO)c1c(-c2ccccc2Cl)noc1-c1ccc(-c2ccccc2)cc1 2481996 BACFMGOZWJLGHF-UHFFFAOYSA-N 418.880 5.051 0 1 HKAF COc1c(-c2c(C)cc(OC)c3c(OC)cccc23)c(O)cc2c1[C@H](C)N[C@@H](C)C2 13359039 RPYYNECGOSGRFR-GJZGRUSLSA-N 407.510 5.142 0 1 HKAF biogenic Cc1nc2cccc(F)c2c(N)c1CSCc1cccc(C(=O)C(F)(F)F)c1 13864124 VPRFBYAXJXJEIV-UHFFFAOYSA-N 408.420 5.443 0 1 HKAF COc1ccccc1-c1ccc2c(c1)C([C@H](C)OCCC1CCCCC1)=CC(C)(C)N2 14968864 ZWZZCNSUUOQZFI-FQEVSTJZSA-N 419.609 7.325 0 1 HKAF O[C@H](CCCN1Cc2c(n(-c3ccc(F)cc3)c3ccc(F)cc23)C1)c1ccccc1 27757451 HOFSUMFUOMYAIG-AREMUKBSSA-N 418.487 5.738 0 1 HKAF COc1ccc2[nH]cc(CCCCN3CC=C(c4ccc5c(c4)OCO5)CC3)c2c1 28390852 UNWPOGGIFDUAHY-UHFFFAOYSA-N 404.510 5.017 0 1 HKAF O=C(O)c1cccc(C2=C(c3ccccc3OCc3ccc(F)cc3F)CCC2)c1 28819232 IZIBNQBAAHDUEI-UHFFFAOYSA-N 406.428 6.337 0 1 HKAF Cc1cc(Cl)ccc1/C(=C/CC[C@@H]1CCC=C(C(=O)O)C1)c1sccc1C 29464556 UOAZFNOWJBVVFJ-HNHUPEPESA-N 400.971 7.041 0 1 HKAF Cc1nc(-c2ccccn2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1 34661357 SFUPJWCVPLXENZ-QGZVFWFLSA-N 414.578 5.756 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@@H]1CC(=O)C2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 40519823 DXYFRJNQUITWCN-OCEHPFPLSA-N 416.646 5.827 0 1 HKAF COc1c(C/C=C(\C)CCC=C(C)C)c(O)cc(CCc2ccccc2)c1C(=O)O 40952109 FWWXZTJGBMXIDI-CPNJWEJPSA-N 408.538 6.119 0 1 HKAF O=C(Nc1ccc(Cl)cc1)Nc1ccc(Oc2ccc(-c3ncc[nH]3)cc2)cc1 49807943 VLHHWGHUZQRFHR-UHFFFAOYSA-N 404.857 6.166 0 1 HKAF CCC1(CC)C[C@@H](NC(=O)Nc2cccc3cnc(C)cc23)c2cc(F)ccc2O1 59264537 RKEWSEJJSIVUTE-OAQYLSRUSA-N 407.489 5.886 0 1 HKAF CCCN(CCC)c1cc(N(CC)c2ccc(OC)cc2Cl)nc2nccn12 72119640 GJPUIJBHCBLJOP-UHFFFAOYSA-N 401.942 5.176 0 1 HKAF Fc1ccccc1CNc1ncc(-c2nc3ccccc3s2)c(-c2ccccc2)n1 82163271 JZTKNEFPKQSOMS-UHFFFAOYSA-N 412.493 6.172 0 1 HKAF Cc1cccc(-c2nc(NCC3CCCCC3)ncc2C(=O)N[C@@H]2CCCC[C@H]2C)c1 82216726 MTLAQRVEAZOBKG-AUSIDOKSSA-N 420.601 5.753 0 1 HKAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1O[C@@H]1C[C@@H]2CC[C@@H]1C2 100020429 AOGQPQXZFOWMDY-PSTGCABASA-N 407.297 5.217 0 1 HKAF CCCCCn1nc(C(=O)NC23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)c(=O)c2ccccc21 101096666 NMGDBJJPTLDOFA-VFNQFOGHSA-N 421.585 5.066 0 1 HKAF COc1ccc([C@@H](Nc2nc3c(Cl)cccc3s2)P(=O)(OC)OC)cc1 103299982 AMBKCSAHRIMACA-INIZCTEOSA-N 412.835 5.555 0 1 HKAF CC(C)CCN(CCC(C)C)c1cccc(C(=O)N2CCc3ccc(O)cc3C2)c1 103301256 FCDRKYDJBNBRLT-UHFFFAOYSA-N 408.586 5.489 0 1 HKAF COc1ccccc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OCc1ccccc1 103640209 JOUHYKUUMCSRFX-QHCPKHFHSA-N 403.478 5.247 0 1 HKAF COc1cc2c(cc1OC)[C@H](c1ccc(Cl)c(Cl)c1)C1=C(O)CCCC1=N2 103667147 XGBOKQAGFLDWPD-FQEVSTJZSA-N 404.293 6.225 0 1 HKAF C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@@H]2CCN(C[C@@H]3CCCCO3)C[C@H]21 169373629 RWRVBLQXKOJFGU-YEWFCNIMSA-N 406.492 5.354 0 1 HKAF COc1cccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)c1 199853878 MHMUKLZACPVPGL-UHFFFAOYSA-N 414.383 5.219 0 1 HKAF CC(=O)N1c2ccc(-c3ccccc3C)cc2[C@H](Nc2ccc(Cl)cc2)C[C@@H]1C 223197555 HOKBYNWGGRGLKN-BXKMTCNYSA-N 404.941 6.614 0 1 HKAF Cc1cc2nc(-c3ccc(-c4nnc(-c5cccc(Cl)c5)o4)cc3)[nH]c2cc1C 473135156 LWIQJIPKNYIBKI-UHFFFAOYSA-N 400.869 6.217 0 1 HKAF C[C@H](SCc1ccccc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586963624 PLSKIAKIZVUMIJ-JTQLQIEISA-N 415.278 6.339 0 1 HKAF Cc1sc(Br)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586993631 JIGYDERSUDWSMD-UHFFFAOYSA-N 422.303 5.951 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(F)c(F)c(Cl)cc4[nH]3)c21 587030291 BJJDVKFFYWAHMI-SNVBAGLBSA-N 403.885 6.454 0 1 HKAF Cc1c(-c2ccc(OC[C@H]3CO3)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587101967 RQMJTGJWMHIAAB-IBGZPJMESA-N 407.469 5.508 0 1 HKAF O=C1c2ccccc2-c2cc(C[C@@](O)(c3ccccc3)C(F)(F)F)nc3cccc1c23 587103532 JAECLLZSSUKJSZ-XMMPIXPASA-N 419.402 5.439 0 1 HKAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587164614 XYXGRPJTKUDKHG-HNNXBMFYSA-N 416.216 5.134 0 1 HKAF C[C@@]1(c2nc3ccc(Sc4ccccc4)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587175035 VNCUDSSJVJEEPA-QHCPKHFHSA-N 404.466 5.482 0 1 HKAF Cc1cc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2cc1C 587230364 FMWYLVUCQKGDJE-UHFFFAOYSA-N 400.482 5.069 0 1 HKAF C[C@]1(c2cc(F)c(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330309 GVOCXUVUFRQGGV-IFMALSPDSA-N 418.798 5.737 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCCc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 587331765 PRJDTQDQFAJSOG-UKILVPOCSA-N 422.883 6.166 0 1 HKAF CCC[C@H](C)CN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587343846 KVYXQMFEQIUMJG-SBUREZEXSA-N 411.517 5.161 0 1 HKAF Cc1ccc([C@@]2(C3CCCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 587356271 ORGNKWLVNRODMA-UKILVPOCSA-N 406.453 5.877 0 1 HKAF COc1ccc(C)cc1-c1[nH]c2ccccc2c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587396547 LSYQTEGXDZFDQZ-HSZRJFAPSA-N 412.489 5.749 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(Cl)c(Cl)c3)s1)O2 587410406 MJFIYGCPXINBQV-KRWDZBQOSA-N 404.318 6.319 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(-c3ccc(Br)cc3)n1)O2 587411573 DNZGVWPDYMDHBF-QGZVFWFLSA-N 415.312 5.170 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccc(OCc4ccccc4Cl)c1)[C@@H](C2)C3=O 587419816 MCCOIIQGOGYQIC-YADARESESA-N 406.865 5.416 0 1 HKAF O=C1C[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)c2)Oc2c1ccc1c2CCCC1 587509177 QRQIAPXJUNPPDR-XMMPIXPASA-N 422.446 6.958 0 1 HKAF CC(C)(C)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c(C(C)(C)C)c1 587532224 JSYCQEGNGQOOQH-HSZRJFAPSA-N 406.566 6.573 0 1 HKAF C[C@@]1(Cc2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544677 FTQFCROFCHFKOG-KNQAVFIVSA-N 414.379 5.374 0 1 HKAF C[C@@]1(c2cc3cc(Cl)ccc3o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552412 RGOYCKYRDHHCGA-OFNKIYASSA-N 406.821 5.669 0 1 HKAF COc1cc(C)ccc1OCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587564731 OYWDTHHNAOVZNJ-UHFFFAOYSA-N 401.491 5.736 0 1 HKAF Cc1ccc(C)c(-n2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 587574167 AVJDRKCLCQMXEQ-JYFHCDHNSA-N 411.457 5.503 0 1 HKAF C[C@@]1(c2ccc3cccc4c3c2CC4)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603441 ONMDJJDADAZPOH-SQHAQQRYSA-N 408.453 5.521 0 1 HKAF CCOC(=O)c1c(-c2cccnc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627616 FSIGNWTTZWMFIV-UHFFFAOYSA-N 402.294 5.444 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)ccc2Cl)N1 587692742 LOWPYCBNTVWPHF-VVVCHXIZSA-N 403.122 5.693 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccccc2Cl)N1 587695405 JSXIBMDLTCEHAY-FKIZINRSSA-N 419.725 5.656 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(Cl)c(Cl)cc32)N1 587695686 JDHJRRCYRUMATK-YYSFKGJASA-N 415.133 5.619 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cnc(Cl)cc3c2)N1 587707448 VUOFPMBDYBYTAM-GIGQVBGESA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2cccc(C(F)(F)F)c2)N1 587711509 HHVKUHLTQKTXMS-MEDUHNTESA-N 416.256 5.815 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(Cl)c2Cl)N1 587714711 BBCXPHKQQVGFKV-VGDKGRGNSA-N 407.085 5.658 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SC3CCCCC3)o2)N1 587846227 URFXCFDXGWWFER-MPBGBICISA-N 424.379 6.230 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3c(s2)CC(C)(C)CC3)N1 587859419 WOPRNFUCNCIBIX-DYZYQPBXSA-N 409.368 5.183 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1ccccc1CC 587860181 QLXRJXQEVTYHAT-UHFFFAOYSA-N 420.365 6.063 0 1 HKAF CC(C)(C)CC(C)(C)c1ccc(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587872985 AEORHFORKUFOOX-UHFFFAOYSA-N 422.500 6.228 0 1 HKAF CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)COCC(C)(C)C)c1ccccc1CC2 653708728 HTKCWCPDBIOZBK-UHFFFAOYSA-N 424.541 5.470 0 1 HKAF Cc1cc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c(C)n1Cc1ccccn1 962716914 UBYNLLRQUTWIIF-NBGIEHNGSA-N 421.585 5.140 0 1 HKAF CCOc1ccccc1[C@@]1(CCCCC(=O)O)N[C@H](CC)Cc2c1[nH]c1ccccc21 962950470 NGFHXMZMZJXPBB-WXTAPIANSA-N 420.553 5.380 0 1 HKAF Cc1ccccc1CC[C@@]1(C2CCCC2)c2ccsc2CCN1Cc1cccnc1 963002863 DPOUEFLOWRUGQV-HHHXNRCGSA-N 416.634 6.528 0 1 HKAF [C-]#[N+]c1cccc(-c2ccc3c(c2)[C@]2(CCSC(=N)N2)C2(CCC(OC)CC2)O3)c1 1772592800 XTTHPYUFDPRWJC-PBSMCPNCSA-N 419.550 5.481 0 1 HKAF O=C(N1CCN(c2ccc(Cl)cc2)CC1)N1c2ccccc2Oc2ccccc21 1772645741 GZYAVDJNXCNVIS-UHFFFAOYSA-N 405.885 5.526 0 1 HKAF Clc1ccc(OCCc2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 1857549866 DDNSIRPJMSQRBN-UHFFFAOYSA-N 406.957 5.284 0 1 HKAF CCc1ccc(-c2coc3cc4oc(=O)c(-c5nsc(=O)o5)c(C)c4cc23)cc1 1857587519 NVGKDFCDLXWIHR-UHFFFAOYSA-N 405.431 5.154 0 1 HKAF NC[C@@](CCN1CC=C(c2ccc(Cl)cc2)CC1)(c1ccccc1)C1CCCC1 1857759010 ROBJDFLYWHJESD-SANMLTNESA-N 409.017 5.906 0 1 HKAF CC(C)=CCC/C(C)=C\CCC(C)=CCNCCCCCCCCCCCCN 1911570861 YTYJVDZUDYPUHA-ZKTWOCEGSA-N 404.727 7.855 0 1 HKAF C[C@@H]1CN=C(C(=O)[C@@H](C)[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C1 2356390851 FLJSFXUJSLIIFB-PXANOCAPSA-N 413.646 5.692 0 1 HKAF CC(C)=CCCC(C)=C1CC[C@]2(C)[C@@H]1CC[C@H]1[C@]2(C)CC[C@@H]2C(C)(C)CCC[C@]21C 2356609577 GPZIDTBDDBXXAW-PXMQSCTNSA-N 410.730 9.508 0 1 HKAF CCCCC=CCCCCCCCCCCCCCCCc1cc(O)cc(O)c1 2356747855 CJTCBXDFRDMBJW-UHFFFAOYSA-N 402.663 8.848 0 1 HKAF CC(C)[C@@H](C)C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 2356798022 OTRRATLULZITAR-KKRQCTAQSA-N 414.674 6.382 0 1 HKAF Brc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccccc2)cc1 61923576 MXCLZEOQTNMXRL-UHFFFAOYSA-N 413.318 6.508 0 3 HKAF CSCC[C@@H](c1nc2ccccc2[nH]1)n1c(-c2ccc(C)cc2)nc2ccccc21 95569783 VGPUGSYHXYEMBG-QHCPKHFHSA-N 412.562 6.231 0 3 HKAF O=C1CCC[C@H]2C[C@H](NCc3ccc(Cl)c(C(F)(F)F)c3)CC[C@]23CCCN13 205706003 JTAQRDJDIBWIOM-RZQQEMMASA-N 414.899 5.162 0 3 HKAF Cc1csc([C@@]2(C)CSC(c3csc([C@]4(C)CSC(C(C)C)=N4)n3)=N2)n1 14594354 BDZRADRTDBWWNO-MSOLQXFVSA-N 422.670 5.333 0 1 HKAF biogenic O[C@@H](CNCc1ccccc1Oc1ccccc1)c1cc(Br)cs1 14966824 JVMPJVROHTYUSG-KRWDZBQOSA-N 404.329 5.126 0 1 HKAF CCCCOc1ccc(Cn2c(-c3ccc(O)cc3)c(C)c3cc(O)ccc32)cc1 40879035 WZHHLZSPSPFUAW-UHFFFAOYSA-N 401.506 6.255 0 1 HKAF O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCN2c1ccccc1 49110126 WWEBTCRGCHRYFS-UHFFFAOYSA-N 424.588 6.256 0 1 HKAF Cc1ccc(-c2[nH]nc(O)c2Cc2c(O)ccc3cc(Br)ccc23)cc1 64256386 SRPBDXPQYUSWFL-UHFFFAOYSA-N 409.283 5.303 0 1 HKAF CC(C)CC(=O)c1c(O)c2c(c3c(-c4ccccc4)cc(=O)oc13)OC(C)(C)C=C2 64448417 DJKBNLZZTMVBGL-UHFFFAOYSA-N 404.462 5.579 0 1 HKAF biogenic CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]([C@]3(C)C=CC(=O)O3)CC[C@]21C 66101986 JRGYNXKJYVLQBR-QPBHWVAKSA-N 412.614 6.112 0 1 HKAF in-vitro N#CN1[C@H](c2ccc(Cl)cc2)CC(=O)[C@H](c2ccccc2)[C@@H]1c1ccc(Cl)cc1 72172299 GTFNZNFOQZIXSK-XWGVYQGASA-N 421.327 6.315 0 1 HKAF Cc1ccc(CN2[C@H]3CC[C@@H]2CC(=CCOC(c2ccccc2)c2ccccc2)C3)cc1 73258662 WVEYUPYUQAKVOQ-ISILISOKSA-N 423.600 6.854 0 1 HKAF CCN(CC)P(=O)(Oc1occc1Cc1c(C)cccc1Cl)N(CC)CC 103294056 QYSSDTZWMVLZIA-UHFFFAOYSA-N 412.898 6.003 0 1 HKAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cnccn3)cc(-c3nccs3)c2)cc1 113761421 BXTGAPWJHCMEHB-INIZCTEOSA-N 400.507 5.067 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C/C(C)C)C1 136048437 HJWVRQICRBWPME-ZWUNNSCRSA-N 412.658 7.345 0 1 HKAF COc1ccc(C2=Nc3ccccc3N=C(N3CCC(c4ccccc4)CC3)C2)cc1 169324556 KLYZPUPMWUSFEO-UHFFFAOYSA-N 409.533 6.129 0 1 HKAF CC(C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)/C=C\CC/C=C\CCCC(=O)O 169636567 PCJNPOCWIRLPDQ-AQDMVOMBSA-N 420.722 9.209 0 1 HKAF CCC1=C[C@@](/C=C/c2ccccc2)(CC)[C@](CC)(C(=O)O)[C@H]2[C@H](C)C(=O)[C@@H](CC)[C@H]12 238757941 IJBZGABOCOJLTC-APGPCESXSA-N 408.582 6.405 0 1 HKAF CC(=O)Nc1ccc(-c2n[nH]c3c2Cc2cc(CN[C@H]4CC[C@H](C)CC4)ccc2-3)cc1 253660960 VHFOPTWBFCFHMH-OQIWPSSASA-N 414.553 5.275 0 1 HKAF c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](OC2c4ccccc4CCc4ccccc42)C3)cc1 256479174 DZOFIEFQFCWGIY-OOSCYNTBSA-N 409.573 6.087 0 1 HKAF in-vitro CCc1ccc(-c2nc(-c3nc4ccc(F)c(Br)c4[nH]3)cs2)cc1 587015984 MHWAENZSWPNMAF-UHFFFAOYSA-N 402.292 5.817 0 1 HKAF Cc1cnc(Cl)c2[nH]c(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587069503 DTENUNJUONSHBK-JXMROGBWSA-N 410.304 6.323 0 1 HKAF Cc1cc(Br)c2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2c1 587076611 KWKOJKHGZAAHMA-UHFFFAOYSA-N 417.694 5.122 0 1 HKAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cc(OC(F)(F)F)ccc2[nH]1 587077450 YBIIRLVHXWOYJA-UHFFFAOYSA-N 405.763 5.550 0 1 HKAF FC(F)(F)Oc1cccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 587125907 VFYBVGSMPXMZNP-TWGQIWQCSA-N 404.335 6.244 0 1 HKAF CCCCOc1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1Br 587152421 MYJAZLZTVZQZRX-QWHCGFSZSA-N 421.285 6.054 0 1 HKAF O=C(Nc1cccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1)c1ccc(F)cc1 587163682 QXUBAPSAFKKJIK-UHFFFAOYSA-N 401.228 5.323 0 1 HKAF COc1ccccc1Nc1ccccc1-c1nc2ccc(Br)c(C)c2[nH]1 587241251 RVUFYXQHJFMRAN-UHFFFAOYSA-N 408.299 6.053 0 1 HKAF CC[C@]1(c2ccc(Cl)c(N)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330033 ZWVXCJCJKMCDFQ-JTHBVZDNSA-N 411.860 5.431 0 1 HKAF C[C@]1(CCc2n[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344486 GWDQIDGUUDMLHK-ILBGXUMGSA-N 416.452 5.158 0 1 HKAF Cc1cccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587356710 RFIXBSYZDRPADM-XTEPFMGCSA-N 424.471 6.142 0 1 HKAF COC(=O)c1ccc(F)c(-c2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)c1 587381317 GYFKDXCWOMOUAS-VWLOTQADSA-N 419.452 5.051 0 1 HKAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4Oc4ccc(C(F)(F)F)cc41)[C@@H](C2)C3=O 587420210 FCNCQWAKOVIREM-GAJHUEQPSA-N 424.374 5.511 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(Cl)cc1Br)CC2=O 587457449 ZQWDRPMPYQLKLR-FQEVSTJZSA-N 423.734 5.727 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cc(Cl)c1F)CC2=O 587467273 RXCLUESDFGGYFI-INIZCTEOSA-N 413.670 5.606 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1cccc(N)c1)(c1ccc(C)c(C)c1)CC2=O 587468204 BXNFZKLQYUIDPQ-SANMLTNESA-N 401.506 5.453 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(F)cc(Br)c31)CC2=O 587471952 NDHQJSOUPMUZCL-FQEVSTJZSA-N 405.263 5.053 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccnn3C(C)C)c1C)CC2=O 587475212 KMSSJTFFYJVKTP-QFIPXVFZSA-N 407.514 5.236 0 1 HKAF CC(C)(C)C(=O)Nc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc1Cl 587496951 CVRJGGFXSCZUQX-LJQANCHMSA-N 412.917 5.305 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccn1Cc1cnc(Cl)s1)CC2=O 587497381 VTQVXFPZIIERPW-SFHVURJKSA-N 402.903 5.011 0 1 HKAF COC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1 587533539 WUEJOFTXTNPMNV-NRFANRHFSA-N 418.514 5.787 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2cccc(Cl)c2)no1 587550909 ZDMXJQZSSAIGIC-OFNKIYASSA-N 419.820 5.404 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(O)cc2)s1 587614469 SPVPCYQNLLIQRT-XUZZJYLKSA-N 416.454 5.529 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc3cccnc23)N1 587700228 SIOZUPZRZJHXCV-OVWNDWIMSA-N 405.698 5.413 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1OC(F)F 587715452 HSKIELMWBIADOY-PIGZYNQJSA-N 414.265 5.430 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)cc(Cl)cc2F)N1 587717874 GTTTUPQQAMLNPV-QPFGOUBPSA-N 404.657 5.318 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3F)o2)N1 587727594 OKGLLVWVXSHRHF-BIBXISHDSA-N 404.254 5.611 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(F)cc3)o2)N1 587732832 JYHTZPPFLDJPNS-BIBXISHDSA-N 404.254 5.611 0 1 HKAF Cc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587757061 ULQJUCJFKOZXSA-NYHFZMIOSA-N 413.334 5.619 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C2/N(C)c3ccccc3C2(C)C)N1 587770805 REJWKFXEWXWIJM-MKOFKROOSA-N 415.350 5.475 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2cccnc2)N1 587779762 VSUFCEQMJRGEGR-ZSEKCTLFSA-N 413.290 5.399 0 1 HKAF CC[C@@]1(c2ccc(OCC(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587792810 LMIHHMRSXRHCTE-QRQCRPRQSA-N 420.366 5.811 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3O)cc2)N1 587833545 OJFQJNAULRTYOJ-WHEQGISXSA-N 412.302 5.584 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SC3CCCC3)cc2)N1 587841386 AVBZBHWPWQCPQM-ZSEKCTLFSA-N 420.391 6.247 0 1 HKAF CC(C)=CCC[C@H](C)C[C@H]1c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961744968 BGJLDMXXOZXSCE-CVDCTZTESA-N 412.618 6.652 0 1 HKAF CC(C)[C@@]1(c2cc(F)ccc2F)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962629356 JSTKADXHGJZSJD-KCWPFWIISA-N 418.531 5.611 0 1 HKAF CCC[C@]1(c2c(C)c3ccccc3n2C)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962731925 UXRZGWBYQWBASD-XXBNENTESA-N 414.471 5.176 0 1 HKAF CN1CCc2c(Br)cccc2[C@]1(c1ccc(Cl)cc1)C1CCCC1 963288843 GBWNOBBIIRXWGG-OAQYLSRUSA-N 404.779 6.024 0 1 HKAF Fc1ccc(C2CC(Oc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)C2)cc1 1772600530 VEVSQMSRVIORSA-UHFFFAOYSA-N 405.395 5.165 0 1 HKAF O=C(Nc1cccc(Nc2ccc3c(/C=C/c4ccccc4)[nH]nc3c2)c1)[C@@H]1CCCO1 1772603236 JUKHXMKPBZCLIK-MYILAFDMSA-N 424.504 5.594 0 1 HKAF Cc1ccccc1C(=O)N([C@H](C)c1cccc(Cl)c1)[C@@H](C(N)=O)c1ccccc1 1772604625 MGPGCLRMPKJBKY-VGOFRKELSA-N 406.913 5.078 0 1 HKAF CCCC[C@H](O)CC(C)=C(C)CCC(=O)CCCCC[C@@H](O)CC1CCCCC1 2356440394 ZOVJIBYKNFUISD-IZZNHLLZSA-N 408.667 6.895 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 2356487856 OQMZNAMGEHIHNN-IIKYNJSUSA-N 410.686 7.721 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C)C(C)C 2356643098 HIHARYSBUQWZCH-CKOAMZCLSA-N 424.669 7.663 0 1 HKAF CN(Cc1ccccc1)[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 206041255 LRPCVCPYYJFPEY-IYOUEGCASA-N 416.609 5.301 0 3 HKAF Cc1[nH]c(C)c(-c2ccc(Oc3ccc(Cl)cc3)cc2)c(=O)c1Br 599755 SELLVCOHPDBPSJ-UHFFFAOYSA-N 404.691 5.867 0 1 HKAF CCOc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)NC1CCCC1 774507 LJAOCWPSNOGXDJ-UHFFFAOYSA-N 410.901 5.733 0 1 HKAF Cc1onc(-c2ccccc2Cl)c1C(=O)NCCc1c(Cl)cccc1Cl 774772 CUBURCOIUGFHCC-UHFFFAOYSA-N 409.700 5.583 0 1 HKAF CN(C)CCC/C(=C\C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1 13606906 RANYXAKUNNDPOJ-LVZFUZTISA-N 422.569 5.119 0 1 HKAF CC(C)N1CCC(Oc2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)CC1 13641196 HSPXTGVDUCGMMK-UHFFFAOYSA-N 406.614 5.393 0 1 HKAF COCc1c(Cl)sc2[nH]c(=O)c(-c3cccc(Oc4ccccc4)c3)c(O)c12 13680065 RFMZUQDRDGMRMO-UHFFFAOYSA-N 413.882 5.554 0 1 HKAF CCOc1ccc(NC(=O)/C=C/c2c(C(=O)O)[nH]c3cc(Cl)cc(Cl)c23)cc1 13761294 XLMJSBMZZPMBBS-BQYQJAHWSA-N 419.264 5.224 0 1 HKAF c1ccc(-c2nc(SCCCCCSc3ncc[nH]3)[nH]c2-c2ccccc2)cc1 27211441 ISILFGBOLATVJI-UHFFFAOYSA-N 420.607 6.522 0 1 HKAF O=c1c2cc(F)ccc2nc(/C=C/c2cccc(CF)n2)n1-c1ccccc1Cl 29476326 ZZFQTRPNBGLSDJ-PKNBQFBNSA-N 409.823 5.213 0 1 HKAF Clc1cccc2nc(-c3csc4ccccc34)n(C3CCC4(CC3)OCCO4)c12 40392581 OEWCWMBVZSUNOW-UHFFFAOYSA-N 424.953 6.430 0 1 HKAF O=C(Nc1ccc(Cl)cc1)Nc1ccc2ncnc(Nc3ccc(F)cc3)c2c1 40836565 VTEKCFJPESEVQF-UHFFFAOYSA-N 407.836 5.810 0 1 HKAF COc1ccc([C@H]2CC(=O)c3cc(CC=C(C)C)c(O)c(CC=C(C)C)c3O2)cc1 43067441 XGZTURSZEPLOKA-XMMPIXPASA-N 406.522 6.125 0 1 HKAF biogenic C[C@@H](Oc1ccc2ncc(CCC(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl 45336106 SFRHDNQDYJKYRK-LLVKDONJSA-N 407.272 5.239 0 1 HKAF CC(C)=CCN1C(=O)[C@@]2(CC(C)=CC[C@H](COc3ccccc3)O2)c2ccccc21 66128820 HEHNCNNGJHGQJK-ATIYNZHBSA-N 403.522 5.399 0 1 HKAF FC1(F)CCCN(Cc2cccc(-c3nc(-c4cccc(C(F)(F)F)c4)c[nH]3)c2)C1 66258252 KQJABEBNSVULOX-UHFFFAOYSA-N 421.413 5.994 0 1 HKAF FC(F)(F)c1cccc(CNCc2coc(-c3ccc(Br)cc3)n2)c1 72183011 CRGMQIUARACIOX-UHFFFAOYSA-N 411.221 5.413 0 1 HKAF CCCCCn1c(C[C@H](C)c2ccccc2)nc2c(NCc3ccccc3)ncnc21 82178618 SFYILXHEUCKRAJ-FQEVSTJZSA-N 413.569 5.975 0 1 HKAF O=C1C[C@H](c2cc3ccccc3nc2Cl)N(Cc2ccccc2)[C@@H]2CCCC[C@@H]2N1 96929588 TWFNPNJZIUVWSR-YTFSRNRJSA-N 419.956 5.263 0 1 HKAF O=[S@](CCNCCCc1ccccc1)C(c1ccc(F)cc1)c1ccc(F)cc1 103246686 IICLPRRTXKMOAA-LJAQVGFWSA-N 413.533 5.025 0 1 HKAF COc1cc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)ccc1O 103934965 ULOVYQGZAULFDT-HFJWLAOPSA-N 412.489 6.030 0 1 HKAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc(C)c2)C2=C(O)CC(C)(C)CC2=N1 104076791 YMQDINDVZRLLJG-PGRDOPGGSA-N 409.526 5.162 0 1 HKAF Cc1[nH]c(C)c(-c2ccc(-c3ccc(C(F)(F)F)cc3Cl)nc2)c(=O)c1Cl 145421630 NVVJPJFEEOISDP-UHFFFAOYSA-N 413.226 6.046 0 1 HKAF CCO[P@@](=O)(Nc1cc(-c2ccccc2)sc1C(=O)O)C1CCC(C)CC1 148842276 PERWXTGSISIBKA-NLOLPMQXSA-N 407.472 6.334 0 1 HKAF CC(C)(COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)cc1)CC(=O)O 218549193 XSPLEEXSUPLQPQ-UHFFFAOYSA-N 419.403 5.037 0 1 HKAF CCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCO 238737316 IEHLKCUNLZZXNR-UHFFFAOYSA-N 412.699 8.124 0 1 HKAF C[C@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 299813348 WQLVFSAGQJTQCK-IJQMIHMQSA-N 414.630 5.714 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(F)c(-n5cccn5)cc4[nH]3)cc2)CC1 586878720 AGROEWHWNINTHS-WGSAOQKQSA-N 416.544 7.019 0 1 HKAF CCOc1cc(/C=C\c2nc3cc(C)cc(F)c3[nH]2)cc(Br)c1OC 586978542 WNXXYOAOKQKJOB-WAYWQWQTSA-N 405.267 5.351 0 1 HKAF Cc1ccc2c3c(cc([C@H]4CC=C(Br)CC4)nc13)-c1ccccc1C2=O 586993107 IENGEWJVPYXVTE-AWEZNQCLSA-N 404.307 6.301 0 1 HKAF Clc1cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cn1 586998710 OAPKFPNZASHRSQ-SOFGYWHQSA-N 400.663 5.804 0 1 HKAF CC(C)(C)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587028206 WOKQGDWJOVZRRW-YHYVQYDKSA-N 421.610 5.997 0 1 HKAF FC(F)(F)Oc1cc(Br)c2nc(-c3cc4c(s3)CCC4)[nH]c2c1 587032857 BWIQIQOESRYSDK-UHFFFAOYSA-N 403.223 5.441 0 1 HKAF CCc1cc(OCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)ccc1Cl 587052496 CIWFYLXGEKJKJB-UHFFFAOYSA-N 419.937 6.634 0 1 HKAF Fc1cc2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2cc1Br 587064701 NHKFENZVLBNYKY-UHFFFAOYSA-N 421.653 5.957 0 1 HKAF Fc1c(Br)ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587073080 ASINGLTYGCTXSY-OAHLLOKOSA-N 408.702 5.455 0 1 HKAF Fc1cc(C(F)(F)F)c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2c1 587083325 OOYNDJBCGSIIFZ-UHFFFAOYSA-N 400.162 6.243 0 1 HKAF CC[C@H]1c2cc(OC)ccc2Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587096538 DTGDXVCHHUEBBL-SFHVURJKSA-N 405.497 6.209 0 1 HKAF Fc1cc(Br)ccc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587143096 VYNIHYMIPISABG-UHFFFAOYSA-N 409.564 5.684 0 1 HKAF Cc1cc(Br)cc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 587167885 ZDMYPSJONYJJCQ-INIZCTEOSA-N 417.282 5.142 0 1 HKAF C[C@]1(Cc2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344027 FFHKVMFUXUAQCP-UKILVPOCSA-N 401.437 5.373 0 1 HKAF Cc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc12 587357074 SFIQGECCYDTAPC-BDYUSTAISA-N 412.460 6.267 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1nc3ccccc3[nH]1)(c1ccc(Cl)cc1)O2 587379385 UKUMJQBVHZIVCK-XMMPIXPASA-N 417.896 5.210 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc4cc(NC(=O)OC(C)(C)C)ccc4o1)[C@@H](C2)C3=O 587427528 DIVLZQZKLAKAKO-KSFYIVLOSA-N 421.449 5.277 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(C)c4[nH]c5ccc(OC)cc5c4c1C)[C@@H](C2)C3=O 587437157 DWIYLCZASIDUKE-AFMDSPMNSA-N 413.473 5.444 0 1 HKAF CCSc1cc(Br)ccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587452727 OQTAQPBIEUWDLG-KUHUBIRLSA-N 405.313 5.058 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(Cl)cc1O)CC2=O 587462873 SBFCDCPALDPAPL-DEOSSOPVSA-N 408.881 5.613 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3ccccc3)c(F)c1)CC2=O 587465231 CDFWDQPBRJICKF-AREMUKBSSA-N 420.480 5.943 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)c3ccccc3)c1)CC2=O 587469655 JKZINNVAXFAQNN-SANMLTNESA-N 415.489 5.478 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCCC[C@@H]1CNC(=O)OC(C)(C)C)CC2=O 587471656 UXZKDRLHAQMSMS-VOIUYBSRSA-N 417.546 5.154 0 1 HKAF O=C1CC(c2cccc(Cl)c2)(c2cccc(Cl)c2)Oc2c1ccc1c2CCCC1 587497561 BNVAYIPDMAFUDE-UHFFFAOYSA-N 423.339 6.781 0 1 HKAF Nc1ccc(Cl)cc1[C@]1(c2cccc(O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587502562 SAMXRSDBTOCEIF-RUZDIDTESA-N 419.908 5.416 0 1 HKAF O=C1C[C@](c2cccs2)(c2cccc3ccccc23)Oc2c1ccc1c2CCCC1 587533020 SZZRSIWHWDALSY-HHHXNRCGSA-N 410.538 6.689 0 1 HKAF Cc1ccccc1Nc1nc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587534123 AVWQFFRMOMFDEN-LJQANCHMSA-N 424.953 6.434 0 1 HKAF O=C1C[C@](CSc2nc3ccccc3s2)(C2CC2)Oc2c1ccc1c2CCCC1 587537936 LYJCKUDXKYUEEK-DEOSSOPVSA-N 421.587 6.081 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2F)s1 587568031 JYOHPYKJEHZFFB-URXFXBBRSA-N 418.445 5.963 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCc1ccccc1)c1ccccc1 587600631 BNCCRNMINRLMRV-LEAFIULHSA-N 422.480 5.882 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)C1CCCCC1 587601244 FTWINYFBEGYGAL-RPLLCQBOSA-N 414.501 5.916 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)ccc(F)c2Cl)N1 587720232 MZISPBHSILQQSJ-CQLKUDPESA-N 421.112 5.832 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2c(F)cccc2Cl)N1 587722111 QTBDQFYBSUVRDS-YPMLDQLKSA-N 400.694 5.589 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)c3ccccc23)N1 587730503 JBBQOBIJTLPNSO-XUSGNXJCSA-N 402.282 5.678 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC=C(c3ccc(F)cc3)CC2)N1 587733362 LHTVYBNOIBIULD-YEJXKQKISA-N 404.298 5.724 0 1 HKAF COc1ccc2[nH]c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)c2c1 587801074 DBWRUYKMUPZXMR-WVDJIFEKSA-N 403.295 5.010 0 1 HKAF COc1ccc([C@H]2C[C@@H]2[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587807663 LDGSWAWUPWETBO-UBTUTIANSA-N 404.323 5.150 0 1 HKAF CCCCCc1ccc([C@@]2(CC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587810954 DZHYEXIKBRNICS-QMHKHESXSA-N 418.394 6.509 0 1 HKAF CCCc1ccc([C@]2(C(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587814615 UZAIWJWSLAJVSD-QRQCRPRQSA-N 404.367 5.975 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ccc(C(C)(C)C)cc32)N1 587816762 CUWLVYFQNPLSAK-LFVRLGFBSA-N 416.378 6.000 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 587820960 RQQCZBGRIAGHHV-CMJOXMDJSA-N 410.330 6.187 0 1 HKAF CC(C)Sc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587841984 CTHRUCNCCBUHKE-RNODOKPDSA-N 408.380 5.886 0 1 HKAF Cc1ccccc1-c1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 587851759 JIIWGMHLYOPBNN-BUXKBTBVSA-N 417.347 5.644 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cscc2Br)N1 587856254 XBJHWXDFKWQIOQ-WJWGPLDTSA-N 405.130 5.036 0 1 HKAF Oc1cc(-c2ccc(Cl)cc2Cl)c(O)n1-c1ccnc(Br)c1 587939666 IHAAECYQKDYSFO-UHFFFAOYSA-N 400.059 5.020 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@H]1c1ccc(C(C)(C)O)cc1 961747158 GQOOSSJXCLQLJK-QHCPKHFHSA-N 422.569 5.155 0 1 HKAF c1cncc(CN2CCc3sccc3[C@H]2C2CCN(Cc3cccs3)CC2)c1 962994571 DRPBYNSFVKYFOO-HSZRJFAPSA-N 409.624 5.216 0 1 HKAF Cc1ccc(CC[C@@]2(c3ccccc3F)c3c(F)cccc3C[C@@H]3CCCN32)cc1C 963098764 HDHSLCJHOYRMGY-NEKDWFFYSA-N 417.543 6.479 0 1 HKAF C[C@@]1(c2cccc(-c3ccc(C(=O)O)cc3)c2)NCCc2c(Cl)cc(Cl)cc21 963122846 ORZDATWXWVQGGC-QHCPKHFHSA-N 412.316 5.768 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ccc(C)cc1)c1cc(F)cc(F)c1 963639610 VXSXBYWQWNFILZ-IVCQMTBJSA-N 409.476 5.117 0 1 HKAF COc1ccc(CC[C@@H]2CN(Cc3c[nH]c4cc(Cl)ccc34)CCC2(F)F)cc1 1772577403 DZDZUDBHQPLSFJ-GOSISDBHSA-N 418.915 5.920 0 1 HKAF COc1ccc(F)c(F)c1-c1cc(Cl)cc([C@@H](CC(=O)O)c2ncc(C)s2)c1 1772602183 MLHXRUOSWVPBBL-CQSZACIVSA-N 423.868 5.665 0 1 HKAF CN(C)[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(c5cccc6[nH]ccc56)[C@@]4(C)CC[C@@H]32)C1 1911578090 PNCRJDJEUPGBET-XLXSWJGDSA-N 416.653 7.134 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@](C)(CCC(C)=CC(=O)OC)[C@@H]2CCC=C(C)[C@@]21C 2356604785 GRAKDQZADDSMPS-KFBZHQGCSA-N 416.602 6.173 0 1 HKAF C[C@H]1CCc2sc(C(=O)Nc3nnc(SCc4ccc(F)cc4)s3)cc2C1 3426028 GONIMFPPDQNSSI-NSHDSACASA-N 419.572 5.408 0 3 HKAF CCOc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccccc2OC)cc1 775909 GJVPCYTVCZLHOU-UHFFFAOYSA-N 422.525 5.019 0 1 HKAF CC(C)[C@@H](C)NC(=O)c1c(C(C)(C)C)noc1-c1cc(Br)ccc1F 2483698 NNJAFSSTPWGHCP-LLVKDONJSA-N 411.315 5.315 0 1 HKAF CCC/C=C\C=C\C1(NS(=O)(=O)c2ccc(C)cc2)CCC(C(C)(C)C)CC1 5808641 VUDALRJANQXYOU-ABHVWSBLSA-N 403.632 6.161 0 1 HKAF C[C@]1(CO)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1CC(=O)[C@]3(C)CC[C@@]12C3 5809820 CFPMRJFTBKYCRR-ZZMCEOIZSA-N 424.581 5.186 0 1 HKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@](C)(O)CCOC(=O)c1ccccc1 12153927 GAMTYFUXKUANAW-NLJOTIRTSA-N 418.662 7.424 0 1 HKAF biogenic CCCc1nc(Cl)ncc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 13814651 DDFXQPHXKWGYEZ-UHFFFAOYSA-N 411.733 5.372 0 1 HKAF O=P(O)(O)[C@@H](Cc1ccc(-c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 26839436 NRZNRERLJUJPDI-FQEVSTJZSA-N 406.340 5.834 0 1 HKAF Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3cccs3)C2)cc1 28061154 NGHWEHQGOVYTRH-OAQYLSRUSA-N 401.560 6.536 0 1 HKAF Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12 36176954 UXMFBYKMSDEWOW-UHFFFAOYSA-N 422.286 5.219 0 1 HKAF CC(C)(C)CCNc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1 40865082 AFXMTOJLLUZDIJ-UHFFFAOYSA-N 404.539 5.537 0 1 HKAF Nc1nc(Nc2ccc(F)c(C(F)(F)F)c2)c2cc(CCc3ccccc3)[nH]c2n1 40939785 DZLMUJLCCUJDSO-UHFFFAOYSA-N 415.394 5.227 0 1 HKAF O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(-c3ccc4c(c3)OCO4)ccc12 61942617 DLVOOBPECZYQPY-OFNKIYASSA-N 413.473 5.653 0 1 HKAF CC(C)[C@@H]1N=C(c2ccccc2)c2ccccc2N(Cc2cccc3cccnc23)C1=O 66111675 GISWSCZSSQKLDF-VWLOTQADSA-N 419.528 5.644 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CCC[C@@H]3CCCC[C@@H]32)C(C)(C)CCC1 72111124 BRGUBXOKOZHFBC-VVNLHSCXSA-N 421.669 7.699 0 1 HKAF Cc1ccccc1-c1nc(C)c2c(C)nc3c(OCC(F)(F)F)cc(F)cc3n12 73169343 QAKWVFQSSVUOOT-UHFFFAOYSA-N 403.379 5.555 0 1 HKAF FC(F)(F)c1ccc(Cn2c(C(F)(F)F)nc3cc(Cl)c(Cl)cc32)cc1 73198613 VKNRKFZOVFPMAG-UHFFFAOYSA-N 413.148 6.429 0 1 HKAF COc1ccccc1CCNc1cncc(Oc2ccc(OC)c3ccccc23)n1 82068552 UPYCEHCRQJXYTK-UHFFFAOYSA-N 401.466 5.094 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 85598504 SGNBVLSWZMBQTH-GQDVSBTQSA-N 400.691 7.635 0 1 HKAF O=C(CCCCCCc1cccc(O)c1)CC(=O)CCc1ccc(O)c2c1CCCO2 85627136 HQAOUXRXGLTMOX-UHFFFAOYSA-N 424.537 5.077 0 1 HKAF biogenic,in-vitro CC1=C(/C=C/C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)C(C)(C)CCC1 95590328 YKDPMSOJUIWXSY-KVACCUTFSA-N 404.985 7.730 0 1 HKAF O=C(O)[C@@H]1CCCN(CCC/C=C/c2ccccc2-c2ccc(F)cc2Cl)C1 95596517 LHMNBEHHZZXDQX-QWJDCGKQSA-N 401.909 5.736 0 1 HKAF C1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@@H]1N2CCOc1cccc2cccnc12 101019772 ZAEWLZXHWVJTGL-UIOOFZCWSA-N 406.529 6.087 0 1 HKAF O=C(CCC(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)c1ccc2ccccc2c1 102934426 RCKSEMPBRZFDTG-UHFFFAOYSA-N 413.395 5.419 0 1 HKAF C1=N\c2ccc(cc2)/N=C\c2ccccc2OCc2cccc(n2)COc2ccccc2/1 102957789 MWNGRIIXXJKINO-QRMZFMMFSA-N 419.484 6.054 0 1 HKAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1ccc(F)c(-c2ccccn2)c1 167097475 VQPLFRGCTPINBH-KKSFZXQISA-N 420.484 5.015 0 1 HKAF S=C(OCc1ccccc1)S[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 169322122 BOODXJCYVMXGDM-SFHVURJKSA-N 423.390 6.166 0 1 HKAF COc1ccccc1[C@@H]1S[C@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccc(C)cc1 253803462 CSDHQBMXPXZRCA-ZDXQCDESSA-N 420.509 5.848 0 1 HKAF Cc1cc(-c2ccccc2)c(-c2ccccc2)n1CCCCNC(=O)Oc1ccccc1 473123231 LLNAJIOAFMUUCP-UHFFFAOYSA-N 424.544 6.699 0 1 HKAF O=Cc1cc(Br)cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 586982037 HCUFABWPFIYOSV-UHFFFAOYSA-N 419.584 5.357 0 1 HKAF C[C@@H](Oc1ccc2c(c1)OCO2)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992038 RXKHTUJTKSOFRG-CYBMUJFWSA-N 411.413 5.021 0 1 HKAF Cc1nc(-c2ccccc2)sc1Cc1nc2c(Cl)c(Br)cnc2[nH]1 587012888 ULWLQMIOXNREPR-UHFFFAOYSA-N 419.735 5.397 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587034483 NHRJJYIBPCUJEA-NSHDSACASA-N 419.337 5.751 0 1 HKAF COc1cc(/C=C/c2nc3c(C)cnc(Cl)c3[nH]2)cc(Cl)c1OCC(C)C 587047573 XXORBNGELGAIRX-AATRIKPKSA-N 406.313 5.787 0 1 HKAF CC(=O)c1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587069164 FYZWYFYUAXKMQK-LTGZKZEYSA-N 400.909 6.592 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(F)c(Br)c2[nH]1 587073401 DXUWRTPZCBTNMA-UHFFFAOYSA-N 415.693 6.760 0 1 HKAF Cc1c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cnn1-c1ccc(Cl)cc1 587075561 IAHAQQQCUMYFBJ-UHFFFAOYSA-N 414.896 5.956 0 1 HKAF Cc1nc2[nH]c(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc2cc1Br 587092345 DRGNUZTZEXUOOV-UHFFFAOYSA-N 424.142 5.733 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC[C@@]1(C4)C(=O)Nc3ccccc31)-c1ccccc1C2=O 587097613 RQRBGTDTNLNKKF-NDEPHWFRSA-N 416.480 5.133 0 1 HKAF C[C@@H](Oc1ccc(F)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 587169511 YDLCCDCEOGGOHL-MRVPVSSYSA-N 414.072 5.367 0 1 HKAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 587197844 VJJZWCQDTSJCPD-JTQLQIEISA-N 423.152 5.306 0 1 HKAF Cc1cc(F)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl 587338309 WPVUDKMNVQWZFZ-GGAORHGYSA-N 414.835 5.907 0 1 HKAF CCc1ccc([C@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587352037 IDFRURLOHYKFGF-RSXGOPAZSA-N 404.481 6.004 0 1 HKAF COc1cccc(-c2cc(-c3ccc(CC(=O)O)cc3)nc3c2oc2ccccc23)c1 587364736 CEXQWZYQSFUBBC-UHFFFAOYSA-N 409.441 5.951 0 1 HKAF COc1ccc2c(c1)[C@]1(CCS2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587376327 WNRXBWPMQMTBOP-VWNXMTODSA-N 422.477 5.290 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3cc(F)cc(F)c3)cc1)CC2=O 587467783 RWRWQHYRYCASRT-HSZRJFAPSA-N 410.416 6.122 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](C(c1ccc(F)cc1)c1ccc(F)cc1)CC2=O 587468472 VHRUTBZZGRKFFA-QHCPKHFHSA-N 408.444 5.789 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(=O)OC)cc3)cc1)CC2=O 587478168 IECRQWAJWWKWIX-DEOSSOPVSA-N 416.473 5.505 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)[nH]c(C(=O)OC(C)(C)C)c1C)CC2=O 587480712 FBMDBBXSDKOURA-DEOSSOPVSA-N 413.514 5.126 0 1 HKAF O=C(O)c1cc([C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 587502761 SYJRIRVJEKJVSD-XMMPIXPASA-N 421.880 5.154 0 1 HKAF O=C1C[C@@H](c2ccc(-c3nc4ccccc4s3)o2)Oc2c1ccc1c2CCCC1 587535593 MMTDPMCGYGJMNX-NRFANRHFSA-N 401.487 6.142 0 1 HKAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1-c1ccccc1 587595763 SLLNMMAFANCVEW-IGKIAQTJSA-N 424.452 5.771 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1 587612758 NBHXXHPFMYCSLL-RDGATRHJSA-N 414.482 6.132 0 1 HKAF Cc1ccc([C@]2(c3ccco3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587614937 DQELZCMVAUFDCN-JYFHCDHNSA-N 412.441 5.507 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccsc2)cc1 587617266 JNRICBUCCIEIPT-ZJSXRUAMSA-N 400.455 5.824 0 1 HKAF Cc1nc(-n2ncc3ccc(Cl)cc3c2=O)c2cc(-c3ccccc3)sc2n1 587653197 FJYORXFXDCVEHH-UHFFFAOYSA-N 404.882 5.019 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)cc(C(F)(F)F)c2)N1 587711332 KAABFXHGVQFKRQ-XLFHBGCDSA-N 420.219 5.544 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)cc2OC(F)F)N1 587715345 HMUQDZCJDFALMO-NIVTXAMTSA-N 418.228 5.126 0 1 HKAF CC[C@]1(c2c(F)cccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 587721736 QKSMZXMRFMOWTR-MGNBDDOMSA-N 400.694 5.569 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OC(F)(F)F)cc2)N1 587723419 WTXFKWCBEWVNCR-BTDLBPIBSA-N 418.228 5.285 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 587779903 JHUYLENNKNMOSZ-UHFFFAOYSA-N 406.485 7.088 0 1 HKAF COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC(C)C 587790733 HYBXSJISUJIYPS-CWTRNNRKSA-N 408.311 5.008 0 1 HKAF CCOc1cccc2[nH]cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 587801986 JMGUHBCSIRSDBJ-YBTHPKLGSA-N 403.295 5.092 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2sc2ccccc32)N1 587858412 QEIIYEVBDOUCFW-GTJPDFRWSA-N 416.359 5.917 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2cc(OC)ccc2s1 587861172 LPIVKDIKBJZBFN-UHFFFAOYSA-N 420.321 5.863 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccccc1-c1ccccc1 587868329 ZIKGQYYTJLJPGS-UHFFFAOYSA-N 423.394 5.328 0 1 HKAF Cc1ccc(-c2onc3ccc(CN4CCN(c5cccc(C)c5C)CC4)cc23)cc1 621476101 KWYYSSJMYLUQIU-UHFFFAOYSA-N 411.549 5.742 0 1 HKAF CCCCOc1cc(F)c([C@@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)c(F)c1 962615973 AULGRHBBXNZJGW-FPTDNZKUSA-N 405.485 5.127 0 1 HKAF COc1cc2c(cc1OC)[C@H](c1cccc(-c3ccc(Cl)cc3)n1)N(C)[C@@H](C)C2 962640034 YKHBZNFUSYUWLF-IZHWHUGBSA-N 408.929 5.385 0 1 HKAF Cc1ccc(CC[C@@]2(C3CC3)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cc1 962644859 XNGGGCHFKANRQW-PQHLKRTFSA-N 422.616 5.980 0 1 HKAF Cc1ccc(Cn2nc(C)c([C@H]3c4ccsc4CCN3Cc3ccco3)c2C)cc1 962714074 YEDJMZVLFLTWPZ-RUZDIDTESA-N 417.578 5.659 0 1 HKAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1ccc(Sc3ccccc3Cl)cc1)NCC2 962928578 SCFQSMSIXVKLOO-HSZRJFAPSA-N 422.981 5.428 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)c1ccccc1O[C@H]2c1ccc(O)cc1 962946737 AMAMRSVAPQSDLA-FIGSJOGKSA-N 424.500 5.010 0 1 HKAF Cc1sc2c(c1C)CCN[C@@H]2c1ccc(OC(F)(F)F)c(Br)c1 963016360 YLLJKMZPSUZAIS-CQSZACIVSA-N 406.267 5.261 0 1 HKAF Nc1c([S@@](=O)CCCF)sc2nc(-c3cccs3)cc(-c3ccccc3)c12 1772620123 CXQJAEMPTJFPNP-MHZLTWQESA-N 416.568 5.741 0 1 HKAF O=C(Nc1ccccc1)Nc1ccc(Nc2ncnc3sc4c(c23)CCOC4)cc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c4cc(O)ccc4O[C@@]3(C)CC[C@@H]12 2356739458 BNRLGSUWUGMYKJ-PUQCGMQSSA-N 410.598 6.314 0 1 HKAF O=C(OCc1ccccc1)N1CCCC[C@H]1c1c(Cl)cccc1Br 72138406 IDKHSDDPWZUBAH-KRWDZBQOSA-N 408.723 5.966 0 3 HKAF COC(=O)c1ccc(Nc2nccc3[nH]c(-c4cccc(C(F)(F)F)c4)cc23)cc1 206049289 OPJOQBXWLQSSEO-UHFFFAOYSA-N 411.383 5.779 0 3 HKAF O=c1cc(-c2ccc(-c3csc4ccccc34)cc2)sc(N2CCOCC2)c1 1553585 ABOSKNBFTLZPNO-UHFFFAOYSA-N 405.544 5.494 0 1 HKAF CCCn1c(-c2ccc(F)cc2)nc2c(NCCCN3CCCC[C@@H]3C)nc(C)nc21 7991780 GRXKIGKERWPDGZ-KRWDZBQOSA-N 424.568 5.027 0 1 HKAF COC1(c2ccccc2)CCN(CCCC[C@]23CCCc4cccc(c42)NC3=O)CC1 13473704 CDDHUZMECJQZTG-SANMLTNESA-N 418.581 5.021 0 1 HKAF CC(C)c1c(Cl)sc2[nH]c(=O)c(-c3cccc(Oc4ccccc4)c3)c(O)c12 13680057 QNBWBOVXXZTOCG-UHFFFAOYSA-N 411.910 6.531 0 1 HKAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4N(C=O)CCC(C)(C)C)[C@@H]3CC[C@@H]12 13740909 HAPCTYIHYYGVQQ-LPMWSONSSA-N 416.650 5.113 0 1 HKAF CCc1cc(-c2ccc(OC)cc2)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 13744115 UMCVBCSSWUMWQX-UHFFFAOYSA-N 424.545 5.060 0 1 HKAF COc1c(O)c(C=O)c2c(c1C(C)C)C(=O)[C@]1(C)CC=C(C)[C@H](CC=C(C)C)[C@H]1C2=O 15268432 JIBJRIUIIPXXGN-ZUTJGWLVSA-N 424.537 5.661 0 1 HKAF biogenic C[C@@H]1CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](CN2CCCC2)c2ccccc21 26744653 HHXMAUKRPCOLOF-OPAMFIHVSA-N 417.380 5.319 0 1 HKAF Cc1c(Br)ccc2c(C(=O)O)cc(-c3ccc(Br)cc3)nc12 27621212 JTYPFFVADGWNGS-UHFFFAOYSA-N 421.088 5.433 0 1 HKAF Cc1cccc(Cl)c1Nc1nc2c(Br)cc(F)cc2n2cncc12 28457500 JAOSKHRSKWHJKC-UHFFFAOYSA-N 405.658 5.490 0 1 HKAF Fc1ccc(Nc2ncnc3c2NCc2cc(Br)ccc2O3)cc1Cl 28571933 RXSWGOQRLDFWFT-UHFFFAOYSA-N 421.657 5.493 0 1 HKAF CNc1ccc(/C=C/c2cccc(/C=C/c3ccc(NC)c(OC)c3)n2)cc1OC 28948987 XPSNWIYLVPDYFD-QHKWOANTSA-N 401.510 5.523 0 1 HKAF COc1cc(C)ccc1Oc1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1Cl 34341545 GCKIINJXIXPHKJ-UHFFFAOYSA-N 407.857 5.092 0 1 HKAF O=C(O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)n1 34642833 HCPHPDMGLACHFJ-UHFFFAOYSA-N 422.695 5.910 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 36188567 QASMLJURBZXYNW-IDVSCOIQSA-N 401.679 6.928 0 1 HKAF O=C(NCC1CCOCC1)c1cnc(Nc2ccc(Cl)c(Cl)c2)cc1C1CC1 40935297 RIJPPXXYGWDYJW-UHFFFAOYSA-N 420.340 5.166 0 1 HKAF CC(C)=CCc1c(O)ccc2c1OC[C@H]1c3cc(C)c(O)c(CC=C(C)C)c3O[C@H]21 43072534 XQHLJEHHIHCILO-HFZDXXHNSA-N 406.522 6.033 0 1 HKAF biogenic O=C(O)Cc1sc(Nc2ccc(Cl)cc2)nc1-c1ccc(-c2ccccc2)cc1 45392568 CWDZVERTSGXFFZ-UHFFFAOYSA-N 420.921 6.501 0 1 HKAF CCc1cc2c(s1)Nc1ccccc1N=C2N1CCN(Cc2ccccc2)CC1 53275919 ZCPKIRAPTGPJLK-UHFFFAOYSA-N 402.567 5.264 0 1 HKAF O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc(OCC(F)(F)F)cc21 64235531 CELOHQXJVOYRMF-UHFFFAOYSA-N 411.379 5.024 0 1 HKAF Cc1cc(/C=C2\C(=O)Nc3ccc(F)c(F)c32)c2ccccc(OCCCN(C)C)c1-2 64539963 NDOIBVRCWMXUFW-JXAWBTAJSA-N 422.475 5.201 0 1 HKAF Cc1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 72181743 NIJHQYPICZPECM-UHFFFAOYSA-N 413.481 5.005 0 1 HKAF CCCCCCC(C)(C)c1cc(OC)c(C2=C[C@@H]3CC[C@@]2(CO)C3(C)C)c(OC)c1 72315132 ORJLSGKGXZBYAI-PPHZAIPVSA-N 414.630 6.764 0 1 HKAF CC(C)NC[C@@H](O)COc1ccc2c(c1C(C)C)CC[C@H]1C(C)(C)CCC[C@]21C 73199034 REOYLLQJTPHNAT-FRPAHBMMSA-N 401.635 5.578 0 1 HKAF CCN1CCN(c2ccc([C@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 84634597 YVRGGVNLKYVRQU-DMUQOWJPSA-N 414.637 6.177 0 1 HKAF Cc1cccc(C)c1COC(=O)Cc1ccc(SCc2ccccc2C(=O)O)cc1 114958140 FCZZVCGOPZITBB-UHFFFAOYSA-N 420.530 5.580 0 1 HKAF CCCCC1([C@@H](O)/C=C/[C@@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OCC)CCC1 169321157 DWOHKCABYJQWOX-JQZIEACZSA-N 406.607 5.763 0 1 HKAF O=C(Nc1ncccc1OCc1cccc(Cl)c1)Nc1cccc2ccccc12 206957600 RFZYJTHURVKIPC-UHFFFAOYSA-N 403.869 6.111 0 1 HKAF C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]32C)O[C@@]12CC[C@@H](C)CN2 255224289 KWVISVAMQJWJSZ-VPPUBXCZSA-N 413.646 5.287 0 1 HKAF CC(C)=CCC/C(C)=C/CC[C@](C)(O)[C@@H]1Cc2c(O)c(C=O)c(C)c(Cl)c2O1 299819172 AKZMNMUPGWZYPW-UCCUSALUSA-N 406.950 5.694 0 1 HKAF C[C@H]1CCCc2c1nc1[nH]c(=S)n(-c3ccccc3)c(=N)c1c2-c1cccn1C 299856807 CEHUAJQFAYGQHO-AWEZNQCLSA-N 401.539 5.008 0 1 HKAF Cc1cc(-c2nc3c(Br)cncc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586879419 PIWYWJCILWIBRL-UHFFFAOYSA-N 408.255 5.061 0 1 HKAF CC(C)(C)c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2n1 586984927 QIAYBJSIWNOCFC-SFHVURJKSA-N 413.363 5.203 0 1 HKAF COc1ccc2c(c1)C=C(c1nc3ccc(O)c4c3c(c1C)-c1ccccc1C4=O)CO2 586991494 OEXKDMLWSNITJB-UHFFFAOYSA-N 421.452 5.402 0 1 HKAF Cc1cnc(Cl)c2[nH]c(COc3ccc4ccccc4c3Br)nc12 587002083 SOIOCMUNFJWUNO-UHFFFAOYSA-N 402.679 5.414 0 1 HKAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c2C1 587031087 AQBGERWTLGZNEF-UHFFFAOYSA-N 424.353 5.891 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587035523 XPOJDNIOKKXISI-LBPRGKRZSA-N 419.337 5.751 0 1 HKAF Oc1c(Br)ccc2nc(COc3ccccc3C3SCCS3)[nH]c12 587043099 YDPWAYZSMHNBJV-UHFFFAOYSA-N 423.357 5.089 0 1 HKAF FC(F)(F)c1cccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587070310 HOLOEVDOWFMXLX-UHFFFAOYSA-N 402.803 6.481 0 1 HKAF Cc1c(F)ccc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c12 587072440 WRYDZZDZNLOYFY-KRWDZBQOSA-N 403.885 5.472 0 1 HKAF CCC1CCC([C@@H]2CCc3nc4c(C)ccc5c4c(c3C2)-c2ccccc2C5=O)CC1 587100407 JCLNGUNNRCIIBK-SOAGJPPSSA-N 409.573 7.076 0 1 HKAF Cc1cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2cc1Br 587124809 LXUPOPWFCDIWQG-QPJJXVBHSA-N 413.262 6.416 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc4c(cc3[nH]2)OCCCO4)c(Cl)c1 587159062 LUXQXSUDWSKFIX-QFIPXVFZSA-N 424.859 5.685 0 1 HKAF c1ccc(CN(Cc2ccccc2)[C@@H]2CCc3nc4cccc5c4c(c3C2)CC5)cc1 587212931 MVPBPZLGHLKQLL-XMMPIXPASA-N 404.557 5.893 0 1 HKAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc(OCc3ccccc3)cc2[nH]1)C1CCCC1 587225843 NBONYKLGQORBMG-QFIPXVFZSA-N 421.541 5.898 0 1 HKAF Nc1ccc2oc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)cc2c1 587252552 ZEFKKWAXCZYQLH-UHFFFAOYSA-N 412.165 5.219 0 1 HKAF C[C@@H]1Cc2ccc(Cl)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587329388 LLKHJAONEOFIGJ-HSJHCEBHSA-N 408.856 5.631 0 1 HKAF CC1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(O)ccc2O1 587348527 CZNNGMMHZNFZIZ-WIOPSUGQSA-N 420.436 5.052 0 1 HKAF O=C1c2ccc(O)cc2OC2(CCC(c3ccc(O)cc3)CC2)[C@@H]1c1ccc(F)cc1 587351563 IXFBATCYSFHUNZ-RNUHEBNVSA-N 418.464 5.692 0 1 HKAF CCOC(=O)[C@H]1c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C[C@@H]1C 587362622 KWULEVRBWNCRQM-VBKZILBWSA-N 401.462 5.496 0 1 HKAF COc1cccc(-c2c(CC(C)C)c(-c3ccccc3)nc3c2oc2ccccc23)c1 587365098 HSGKBXOEQKILLP-UHFFFAOYSA-N 407.513 7.522 0 1 HKAF COc1cccc(-c2cc(/C=C\c3ccc(C=O)cc3)nc3c2oc2ccccc23)c1 587366071 QGQCJEYEUXRMBE-YPKPFQOOSA-N 405.453 6.640 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccccc1O[C@H]1C[C@H]4CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O 587440125 ALPIDDNSAQOWOY-FTJOCRTFSA-N 418.533 5.778 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](CCc1cccc(Br)c1C)CC2=O 587456479 PEMXLCJEGQEEDW-OAHLLOKOSA-N 403.316 5.382 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3c(C)c(Br)ccc13)CC2=O 587457046 DQZIHFVLZGEOSD-LJQANCHMSA-N 414.299 5.603 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(OC(F)(F)F)cc1)(C(C)C)CC2=O 587464563 SSHHVDKYKMWWHU-NRFANRHFSA-N 408.416 5.760 0 1 HKAF CCCCCc1ccc([C@]2(CCC(=O)O)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587492881 ZBHDJOORTMGUIP-SANMLTNESA-N 424.537 5.803 0 1 HKAF Cc1ccc(-c2nc3ccccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587516108 USHWVOKPSRINQK-DEOSSOPVSA-N 422.528 6.203 0 1 HKAF COc1cc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587548639 XQIDTYFZEUEPGI-GHTZIAJQSA-N 417.244 5.411 0 1 HKAF CCc1ccccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574923 CTRJRFVBZNEYRD-OZXSUGGESA-N 411.457 5.448 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccccc2)cs1 587615367 WKLFDEQHTSAECU-DENIHFKCSA-N 401.443 5.219 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Br 587681045 WAPUOMCQSHACJU-BTDLBPIBSA-N 413.128 5.283 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Cl)(C2CCCC2)N1 587695457 JXTZBZRKVYXRDO-ZSEKCTLFSA-N 422.769 6.210 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccc(Cl)cc3)on2)N1 587702297 WGUBICUXOSGJDG-GIGQVBGESA-N 421.697 5.520 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc(C(F)(F)F)cc2F)N1 587715256 XQJXFCPDDQBEDH-VGDKGRGNSA-N 424.182 5.509 0 1 HKAF Cc1ccc(/C(=C\N(C)C)[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587744504 BLLDDASUTQJQSC-UXAZQROISA-N 403.339 5.075 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(N3CCCCC3)c2)N1 587766308 NAZJRMPQSBOALP-LHSJRXKWSA-N 403.339 5.202 0 1 HKAF COc1cccc(OCc2ccc(-c3nc4cc(Oc5ccccc5)ccc4[nH]3)cc2)c1 587780777 IJVMKDGVIVAKNZ-UHFFFAOYSA-N 422.484 6.610 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(C)(c3ccccc3)CC2)N1 587817298 JOJKPKVDTONFFF-NYMDZQDESA-N 402.351 5.850 0 1 HKAF Cc1ccc(-c2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)o1 587828220 MXRXLESASSYOGI-QKVFXAPYSA-N 400.291 5.780 0 1 HKAF Cc1ccccc1-c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587830369 SSYZVXBFNQXMCL-LRTDBIEQSA-N 400.291 5.780 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cccs2)(c2cccs2)N1 587855376 VJKBZAOQQHJOPX-CWTRNNRKSA-N 422.388 5.732 0 1 HKAF CC/C(=C\c1nc2c(I)cnc(Cl)c2[nH]1)c1ccc(C)cc1 587966041 HIOLTJUUPQZDCE-DHZHZOJOSA-N 423.685 5.475 0 1 HKAF Clc1cccc(OCc2ccc([C@H]3NCCc4cc(-c5ccccc5)ccc43)o2)c1 962670169 VBZJXQLJMLABJO-SANMLTNESA-N 415.920 6.414 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccccc1)c1ccccc1CN1CCCC1 963233561 UTFLGELPCXNRSM-AYWVHJORSA-N 424.632 6.231 0 1 HKAF CC(C)[C@@H](C)C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1772617993 TWZNIUKPPRAQCW-XABPJEDYSA-N 414.674 6.526 0 1 HKAF Oc1ccc2c(c1)-c1nc(-c3cccc(C(F)(F)F)c3)cc(-c3ccccc3O)c1C2 1857604001 HLTCCMNVTSCYCE-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF O=C(CCCN1CCCCC1)Nc1cc(-c2ccco2)c2oc(-c3ccco3)nc2c1 1857652847 SQOJNFYJHJWBFN-UHFFFAOYSA-N 419.481 5.552 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1C(=O)CC[C@@]2(C)[C@H]1CC[C@H]2[C@H](C)C=C[C@@H](C)C(C)C 2356501026 LAFDOVHKCATTMZ-UCIKBRNLSA-N 410.642 7.129 0 1 HKAF CC(C)[C@@H]1CC[C@@H]2[C@@H]1CC[C@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]21C 2356615015 RNHGVUKUAAZWMB-QQGSUKLBSA-N 412.702 7.635 0 1 HKAF CO[C@H]1OC(=O)C=C1CCC=C(C)CCC=C(C)CCC1=C(C)CCCC1(C)C 2356678685 PFOVLLSEYCTGAF-VWLOTQADSA-N 400.603 7.202 0 1 HKAF CCOC(=O)N(C)c1c(CC)nc2c(OCc3ccc(Cl)cc3Cl)cccn12 61902686 RUTVXWVZSFWTLW-UHFFFAOYSA-N 422.312 5.375 0 3 HKAF C[C@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1)c1ccc(F)cc1 4075979 HLLLJGNVRALAQE-LPLGYCIKSA-N 412.848 5.041 0 1 HKAF CC1(C)C[C@H](NCc2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 5069695 DVVNXTBZXPYWJS-QHCPKHFHSA-N 400.522 5.009 0 1 HKAF O=C(Cn1c(-c2ccccc2)c(C2CCCC2)c2ccc(C(=O)O)cc21)NCC1CC1 13646630 HBPJZSQDQHVXMD-UHFFFAOYSA-N 416.521 5.190 0 1 HKAF Cc1c2c(cc3occc13)[C@]1(C)CCCC(C)(C)[C@]1(O)[C@H](OC(=O)c1ccccc1)C2 14883759 IEHCQOHUOBIHHN-DURWQBQJSA-N 418.533 5.722 0 1 HKAF biogenic COc1ccc(Oc2cc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)nn2)cc1 26405029 SEPMINNDOOHVOE-UHFFFAOYSA-N 414.461 5.629 0 1 HKAF OC[C@H]1CCCN1CCCCCCCCCCCCCCCCN1CCC[C@@H]1CO 28865216 SGFWBTCKZOSALB-CLJLJLNGSA-N 424.714 5.361 0 1 HKAF CNc1cc(/C=C/c2cccc(/C=C/c3ccc(OC)c(NC)c3)n2)ccc1OC 28948974 GGCVTRGRRPOQED-QHKWOANTSA-N 401.510 5.523 0 1 HKAF Cc1cccc2c(=O)[nH]c(C3=C[C@H](N4CCC(c5ccc(Cl)cc5)CC4)CC3)nc12 28954770 JYFRAWWHTLNOTA-OAQYLSRUSA-N 419.956 5.310 0 1 HKAF CCCCN(CCCC)CCOc1ccc(/C=C/c2nc3ccccc3s2)cc1 29474948 YOMNNEKNBVZXEH-DTQAZKPQSA-N 408.611 6.748 0 1 HKAF CCC(=O)C(CCCCCCCCCOc1ccc(OC)cc1Cl)C(=O)CC 32138859 HCTIWOAYESBBJD-UHFFFAOYSA-N 410.982 6.423 0 1 HKAF O=C1Nc2ccc(Cl)cc2[C@@](CC(F)F)(c2ccc(F)cc2)N1CC(F)(F)F 36488249 XDPBOZCUKCGLSA-QGZVFWFLSA-N 422.756 5.788 0 1 HKAF O=C(Nc1ccc(Cl)cc1)Nc1ccc2ncnc(Nc3cccc(F)c3)c2c1 40395445 NRVYYXZLMNAXIE-UHFFFAOYSA-N 407.836 5.810 0 1 HKAF CCOC(=O)CCCCCCCn1c(CC)nc(-c2ccccc2)c1-c1ccccc1 59029400 JJALKRBICDPAOS-UHFFFAOYSA-N 418.581 6.683 0 1 HKAF CSc1nc(Nc2cccc(Cl)c2)c2cnn(C[C@H](C)c3ccccc3)c2n1 72125734 RUGWEHSJQOJATO-AWEZNQCLSA-N 409.946 5.749 0 1 HKAF CC(C)CN(C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccccc1 82132335 OZYXVTBGQQBSQS-IVOMFYJKSA-N 420.601 5.354 0 1 HKAF CC[C@H](C)NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc(C)c1 82146853 DZAMPHYQUUJCLX-KRWDZBQOSA-N 422.960 5.288 0 1 HKAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccccc3F)n2)C1 82150987 XQXWKNBREYZMHA-SUWCGCSTSA-N 424.564 5.074 0 1 HKAF COc1ccc(/C=C\c2cc(Br)c(OC)c(Br)c2)cc1O 82153634 ZXPZRBWFXRAJAQ-ARJAWSKDSA-N 414.093 5.105 0 1 HKAF CCCCCc1nc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccccc2)oc1C 82162540 DVBIUJWWEKUDLU-PGRDOPGGSA-N 418.585 6.830 0 1 HKAF COc1ccc(-c2csc3c2CC(=O)OC32CCN(Cc3ccccc3)CC2)cc1 95601476 MNBVQPGEGWFZQL-UHFFFAOYSA-N 419.546 5.014 0 1 HKAF COC(=O)c1ccc(OCCCCOc2ccc(C(=O)CC(C)C)c(C)c2C)cc1 169351385 ZLNUEHFAAGQFIL-UHFFFAOYSA-N 412.526 5.557 0 1 HKAF Oc1csc(N2N=C(c3ccc(Cl)c(Cl)c3)C[C@H]2c2ccc(Cl)cc2)n1 169728215 ULUKEFYLYZPRRR-INIZCTEOSA-N 424.740 6.165 0 1 HKAF CC[C@H](C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]21C)C(C)C 255196989 ATHNEOVVWTUWBM-MXZCSDKDSA-N 414.718 7.881 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 299847228 YMMFNKXZULYSOQ-YAHOJTEESA-N 420.678 5.554 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(C(F)(F)F)cccc4[nH]3)cc2)CC1 586878853 BKOCWULDAGPVDI-QAQDUYKDSA-N 400.488 7.713 0 1 HKAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(C(C)(C)C)c2[nH]1 586935601 FJJUTOQFAKSHJO-SFHVURJKSA-N 419.978 5.189 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@H]4c1ccc(F)cc1)-c1ccccc1C2=O 586994721 DKCBBQHGOFKLTK-NRFANRHFSA-N 407.444 5.541 0 1 HKAF Clc1nccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 586998934 SNYNPDKXSOLGIT-SOFGYWHQSA-N 400.663 5.804 0 1 HKAF CCCCOc1cc2nc(-c3sc(C4CC4)nc3C)[nH]c2cc1Br 587011840 LIKFFNQCAZEKHW-UHFFFAOYSA-N 406.349 5.814 0 1 HKAF CN(C)C(=O)c1ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c1 587015316 LPILYMAKESAPTL-UHFFFAOYSA-N 417.321 5.362 0 1 HKAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1 587040557 OBDAITVGZOMYBX-SFHVURJKSA-N 413.568 5.697 0 1 HKAF COc1cc(/C=C\c2nc3cc(C)c(Cl)cc3[nH]2)cc(Cl)c1OCC(C)C 587046819 MRRHDMZEPQYXAK-WAYWQWQTSA-N 405.325 6.392 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Cl)cnc2[nH]1)c1cccc(Cl)c1 587071403 MACGWPWFCZLNFE-CQSZACIVSA-N 407.301 5.073 0 1 HKAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)n1 587081001 ZJHPEKZIZVCJTH-GFCCVEGCSA-N 407.930 6.328 0 1 HKAF COC(C)(Cc1ccccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)OC 587097571 RENBMVQQZUJAAO-UHFFFAOYSA-N 423.512 5.973 0 1 HKAF O=C(Nc1cccc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1)c1ccc(F)cc1 587162237 FTSIPCXFVZJZHL-UHFFFAOYSA-N 423.447 6.414 0 1 HKAF CC(C)(C)OC(=O)N[C@H](c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C1CCCC1 587227491 YEJJBGOAIXGTAP-AWEZNQCLSA-N 417.859 5.991 0 1 HKAF CC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(F)ccc2O1 587330443 FDIZCENLWUGQRH-VWNXMTODSA-N 406.384 5.221 0 1 HKAF COc1cccc(-c2cc(-c3cccc(N(C)C(C)=O)c3)nc3c2oc2ccccc23)c1 587358875 BLNGGDMWGPONHR-UHFFFAOYSA-N 422.484 6.306 0 1 HKAF C[C@@]1(c2nc3ccccc3s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587371708 FTWDZBSTRQKEOV-NFBKMPQASA-N 405.450 5.415 0 1 HKAF C/C(=C/[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)N(C)C 587376720 PYELJMWEIVWRMC-BJWLTIAMSA-N 423.509 5.313 0 1 HKAF Cc1ccc([C@]2(c3c(N)sc4c3CCC4)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587412309 ADDYYXXIOJHDMG-VWLOTQADSA-N 418.562 5.235 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccc5ccccc5c4)cc1)[C@@H](C2)C3=O 587441137 CXXOHDYITAPDDU-RBJSKKJNSA-N 422.480 5.916 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C)c2c(Br)cccc21 587457916 DIVYOZUUYPDFAX-XUSGNXJCSA-N 401.300 5.475 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCc3cc(Br)cc(C)c31)CC2=O 587459436 WTYZPCIFKCTXKA-OAQYLSRUSA-N 401.300 5.223 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(Cl)c(Cl)c1)CC2=O 587463513 XYYISZOHUNQQPB-NRFANRHFSA-N 423.292 5.377 0 1 HKAF Cn1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc2ccc(Br)cc21 587499118 RGGMKGQNNSAPMW-OAQYLSRUSA-N 410.311 5.526 0 1 HKAF C[C@@]1(c2cccc(-c3cccc(C(=O)O)c3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587528630 DBYBUTIXZAJOBR-MHZLTWQESA-N 412.485 5.811 0 1 HKAF C[C@]1(C2(c3ccccc3)CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604599 XHHFUJCERJGLBY-RDGATRHJSA-N 400.474 5.625 0 1 HKAF COC(=O)c1cc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccc(Cl)cc2)c[nH]1 587628045 GURCJTLRKVHWGZ-UHFFFAOYSA-N 403.240 6.063 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc4c(c3)NC(=O)CO4)c(C(=O)C(F)(F)F)c2c1 587642493 SMMWRMCCMQGUTB-LLVKDONJSA-N 416.399 5.424 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccccc3Cl)no2)N1 587693602 DYRPJGHXLHBQIC-APBUJDDRSA-N 421.697 5.520 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2cn(C)c3ccccc23)N1 587754556 DWWLIUPJQQODGY-HLNIJVSASA-N 413.334 5.543 0 1 HKAF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(C)C 587795819 RVWWDTBYEMZASA-LRTDBIEQSA-N 422.338 5.255 0 1 HKAF CC(C)c1ccc(C[C@H](C)[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587818285 HMGLZRCXFGVEAI-SMASLZHESA-N 404.367 6.166 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1cccc(F)c1 587854005 DECNESFNQXSVHX-UHFFFAOYSA-N 409.244 5.114 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccc(Cl)cc2s1 587866305 ABFPNBSDICSJHU-UHFFFAOYSA-N 423.847 6.220 0 1 HKAF COc1cccc(C2(c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)CCCC2)c1 587931037 LEQBHXOTECGCCO-UHFFFAOYSA-N 410.823 5.984 0 1 HKAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(F)c(Br)c4[nH]3)c2)c1 587933073 JHPGAOFTYSCHBK-UHFFFAOYSA-N 413.246 5.513 0 1 HKAF Oc1cc(-c2cccc(Cl)c2)c(O)n1-c1cc(F)c(Br)cc1F 587944072 YMPMLUGXPPPNQF-UHFFFAOYSA-N 400.606 5.250 0 1 HKAF Cc1cccc([C@]2(c3ccc(Cl)c(Cl)c3)NCCc3ccc(F)c(C)c32)c1 962143492 IBRCYSWQXXBERH-HSZRJFAPSA-N 400.324 6.187 0 1 HKAF COc1cc2c(cc1OC)[C@](CCc1ccc(C)cc1C)(C1CCCC1)N(C)[C@H](C)C2 962578105 ZYPTWJCHGAPFAL-PIKZIKFNSA-N 421.625 6.215 0 1 HKAF COc1cc2c(cc1OC)[C@@](c1cccc(Cl)c1Cl)(C1CC1)N(C)[C@H](C)C2 962615640 AFBKWYCGCBTTIO-DMZKTXOQSA-N 406.353 5.541 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CC(C)(C)C(=O)O)(c2ccc(F)c(C)c2)N1 962939929 CIICHCWVHKOADJ-SSOJOUAXSA-N 408.517 5.284 0 1 HKAF CCCN1[C@H](c2ccc(-c3ccc(C)cc3Br)o2)c2ccccc2C[C@H]1C 963229223 NKLSAYDINMSWMI-OSPHWJPCSA-N 424.382 6.764 0 1 HKAF COc1ccc(F)cc1-c1cc(Cl)cc([C@H](CC(=O)O)c2ncc(C)s2)c1 1772593901 QSBRLLUAGWPKET-KRWDZBQOSA-N 405.878 5.526 0 1 HKAF CN(C)CCCNc1nc2ccccc2nc1-c1nc2cc(C(C)(C)C)ccc2o1 1857547968 QRQOEFQZGVPEDH-UHFFFAOYSA-N 403.530 5.099 0 1 HKAF CN(C)C(=O)c1ccc(OCCCCCC2CCC3(CC2)CC(C)(C)CO3)cc1 1857646626 ZYYQMCMTZDFTLT-UHFFFAOYSA-N 401.591 5.703 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2[C@H](CCc3cc(O)ccc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c1ccccc1Cc1c(-c2ccccc2)nc2c3ccccc3ccn12 72136265 RZHUKRIAYWUPFD-UHFFFAOYSA-N 402.419 6.764 0 3 HKAF CCCN1CC[C@@H]2c3cc4ccc(C(F)(F)F)cc4nc3[C@@H](CC)[C@@H]3CCC[C@H]1[C@@H]23 206955194 LILDBTJYRFAMFE-KMMOIWBLSA-N 416.531 6.745 0 3 HKAF COc1ccccc1CNC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)cc1F 776249 JUPUMUJWHBGNKQ-UHFFFAOYSA-N 416.880 5.370 0 1 HKAF O=S1(=O)c2ccccc2N[C@@H](c2ccc3ccccc3c2)C[C@@H]1c1ccccc1F 1622408 SYCYJRTVAZFXCY-ILBGXUMGSA-N 417.505 6.051 0 1 HKAF O=C(CN1C(=O)C[C@H](c2ccccc2)Sc2ccccc21)Nc1ccccc1F 4162768 GEINWNDNDRNSFQ-OAQYLSRUSA-N 406.482 5.035 0 1 HKAF COc1cc(OC)c2c(c1-c1ccc(OC)c3c(OC)cc(C)cc13)C[C@@H](C)N[C@H]2C 13359125 DVVAMMKTYAWPGW-CVEARBPZSA-N 421.537 5.445 0 1 HKAF biogenic CCCCN(C)C(=O)CCS[C@H](Cc1ccc(O)cc1)c1ccc(OC)cc1 13600989 MYQOBWKWNXCFGC-JOCHJYFZSA-N 401.572 5.066 0 1 HKAF Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccccc2Cl)cc1 13673631 KSEOVHZSVHYNMT-UHFFFAOYSA-N 409.902 5.546 0 1 HKAF C[C@H](CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2Cl)n1)C(=O)O 13729814 CORCCIXPSKDMOL-QGZVFWFLSA-N 409.913 6.339 0 1 HKAF COc1cc(OCC=C(C)C)c(CC=C(C)C)c2c1C(=O)C[C@@H](c1ccccc1)O2 15115091 KSYDDINMVMFLLB-QFIPXVFZSA-N 406.522 6.255 0 1 HKAF biogenic CCCC[C@@H](O[C@@H]1CCCCO1)c1cccc(OCc2ccccc2C(=O)OC)c1 25991682 TZFTXDYHWLEEGK-DNQXCXABSA-N 412.526 5.827 0 1 HKAF CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2ccc(Cl)cc2)c2ccccc21 27099262 XBTFKEVZITXNIQ-MZNJEOGPSA-N 418.924 5.873 0 1 HKAF COc1ccc(NCCNC(=O)C2(Oc3ccc(C(C)C)cc3)CCCCC2)cc1 28571786 NOLLLKYMAKMHRR-UHFFFAOYSA-N 410.558 5.129 0 1 HKAF COc1cc(C(=O)O)ccc1Cn1ccc2ccc(NC(=O)CC3CCCCC3)cc21 29479151 XUTIPYICPKGPSB-UHFFFAOYSA-N 420.509 5.305 0 1 HKAF C[C@H](Cc1nnc(NC(=O)COc2ccc(Cl)cc2Cl)o1)CC(C)(C)C 66156266 JAVBSQZHTPTXJH-LLVKDONJSA-N 400.306 5.009 0 1 HKAF O=C(CN(C(=O)c1ccccc1Cl)C1CCCCC1)Nc1cc(F)cc(F)c1 72122764 NRSYRPHQASTPNA-UHFFFAOYSA-N 406.860 5.032 0 1 HKAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccc(F)cc3)n2)C1 82136393 MBBVEOQQSNMAKW-RQXXJAGISA-N 424.564 5.074 0 1 HKAF COc1cc(C(=O)c2c(-c3ccccc3F)[nH]c3ccccc23)cc(OC)c1OC 95595596 YGCDVXFSVKRVFU-UHFFFAOYSA-N 405.425 5.231 0 1 HKAF COc1ccc(OC)c([C@H]2C3=C(O)CCCC3=Nc3ccc4nc(C)ccc4c32)c1 104049024 DNJDBRBFEJOPFJ-XMMPIXPASA-N 400.478 5.774 0 1 HKAF CC/C(=C(\c1ccc2[nH]ncc2c1)c1ccc(/C=C/C(=O)O)cc1C)c1ccccc1 114545718 NDBFRQKSLQCMOI-RDNHBOATSA-N 408.501 6.338 0 1 HKAF COc1cc(/C=C/c2cc(Br)c(O)c(Br)c2)cc(OC)c1 139411252 NSHPDCNLIFRYBD-ONEGZZNKSA-N 414.093 5.105 0 1 HKAF Clc1ccc2sc(-c3ccccc3)c/c(=N\C34CC5CC(CC(C5)C3)C4)c2c1 169316302 VHFLBGDSKJZIAW-HPNDGRJYSA-N 405.994 7.091 0 1 HKAF COc1cc(COc2ccc(-c3c(-c4ccncc4)cnn3C)cc2)nc2ccccc12 169324877 XSKPTAUZCSEXAS-UHFFFAOYSA-N 422.488 5.285 0 1 HKAF Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1Nc1nccc(-c2cccnc2)n1 169699772 COFMBSHUVZHNMK-UHFFFAOYSA-N 409.493 5.460 0 1 HKAF Cc1cccc(CNc2cccc(-c3cc(N[C@H]4CC[C@H](N)CC4)ncc3Cl)n2)c1 169703643 GKFIGZDTKUOLII-KDURUIRLSA-N 421.976 5.399 0 1 HKAF Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccccc4F)cc-3c2=O)c(C)c1 299821114 JFGPISFFHGLPSI-UHFFFAOYSA-N 411.480 5.155 0 1 HKAF CC(=O)c1ccc(-c2cccc(-c3nc4cc(Br)c(C)nc4[nH]3)c2)cc1 586879046 CWTUJHKXEPZPSS-UHFFFAOYSA-N 406.283 5.565 0 1 HKAF CCCCC1CCC(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CC1 586885966 AQGFWHLNKPRWSI-UHFFFAOYSA-N 403.286 6.808 0 1 HKAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3ccc(Br)cc3[nH]2)c1 586914727 AERRWDWMJSKRHZ-UHFFFAOYSA-N 409.239 5.094 0 1 HKAF CCCCc1cc(=O)oc2cc(OCc3nc4cc(Cl)c(Cl)cc4[nH]3)ccc12 586919238 XUGLOCHTMRXGHK-UHFFFAOYSA-N 417.292 5.898 0 1 HKAF CC(C)CCOc1ccc(Br)cc1-c1nc2cc3c(cc2[nH]1)OCCO3 586982075 OOUKAFHDELYRKP-UHFFFAOYSA-N 417.303 5.189 0 1 HKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cccc(C(=O)O)c2[nH]1 586983059 VHMZZXIYXASUQY-CQSZACIVSA-N 401.304 5.396 0 1 HKAF Cc1ccc2c3c(c(CC(=O)O)c(-c4ccc(F)c(F)c4)nc13)-c1ccccc1C2=O 586996228 QNMCVOACJXSTPI-UHFFFAOYSA-N 415.395 5.327 0 1 HKAF O[C@H](c1ccc(Br)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586997080 MNUHHJSHOWBZBM-CYBMUJFWSA-N 405.601 5.079 0 1 HKAF CC(C)n1c(-c2nc3cnc(Cl)cc3[nH]2)cc(Br)c1Br 587005353 VAZARVAZKURUNX-UHFFFAOYSA-N 418.520 5.186 0 1 HKAF Fc1c(F)c(F)c2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2c1F 587015332 MLZDWNWHRYGCGO-UHFFFAOYSA-N 418.202 6.217 0 1 HKAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(Cl)cc(F)c3[nH]2)cs1 587018984 DKRFHPAFAZFHBB-UHFFFAOYSA-N 401.854 5.047 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc4ncccc4c3[nH]2)C[C@@H]2CCCC[C@H]21 587025989 JNHVTWRAIUURAU-DQLDELGASA-N 416.550 5.248 0 1 HKAF Fc1cnc(Br)c2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc12 587051340 SAMVPROMZWPIKC-RQJHMYQMSA-N 401.066 5.437 0 1 HKAF CCCCCc1c(-c2cccc(OC)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099262 XMYXAGQGHMNZJW-UHFFFAOYSA-N 421.540 7.163 0 1 HKAF Nc1ncnc2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc12 587112236 RIWKFGKNVIJIIX-UHFFFAOYSA-N 423.320 5.307 0 1 HKAF Cc1cc(Br)c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1F 587137812 MNAQTEYPFRIHLB-UHFFFAOYSA-N 405.214 6.052 0 1 HKAF COC(=O)c1cc2nc(/C=C\c3ccc(C)c(F)c3)[nH]c2c(F)c1Nc1ccccc1 587146731 UNQILPTZHKUWCQ-KHPPLWFESA-N 419.431 5.850 0 1 HKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(OCCN(C)C)cc3[nH]2)c1 587237972 AMXWCZWXUHNLKV-UHFFFAOYSA-N 415.541 5.113 0 1 HKAF COc1ccccc1Nc1ccccc1-c1nc2c(C)c(Br)cnc2[nH]1 587241578 XGTMILPPDUSTIV-UHFFFAOYSA-N 409.287 5.448 0 1 HKAF C[C@@]1(c2c(F)ccc(F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332598 LWPROIMPJVDAKT-XMSQKQJNSA-N 402.343 5.223 0 1 HKAF C[C@@]1(c2cccc(C3CCC3)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337256 VAPODGXJDCPZCD-BVAGGSTKSA-N 420.455 6.212 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)c(Br)c1)(C1CC1)[C@@H](C2)C3=O 587414514 VYKROGDDGUECMI-VBKZILBWSA-N 419.702 5.164 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4ccccc4C)cc1)[C@@H](C2)C3=O 587440676 AIOHTNURIIRTGU-NVQXNPDNSA-N 400.474 5.245 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(C(C)(C)Br)CC2=O 587454697 ZQIFHFSPPCWRDK-NRFANRHFSA-N 403.316 5.379 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(C)cc3)nc3ncccn13)CC2=O 587492787 XKKAKHKTDWKTAV-NRFANRHFSA-N 413.477 5.069 0 1 HKAF CC1(C)Oc2ccc(Br)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587495370 CTOOKVWCHQYTKW-JOCHJYFZSA-N 413.311 5.360 0 1 HKAF COc1ccc2c(c1Br)[C@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587500430 WTRFFZHPADFGBN-QFIPXVFZSA-N 413.311 5.143 0 1 HKAF O=C1C[C@@](Cc2ccc(F)cc2)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 587503228 DJRJZRRBYBDFAL-SANMLTNESA-N 420.911 6.461 0 1 HKAF Cc1ccc([C@@]2(c3cccnc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587584515 ARDVTGGOKNMZFF-BVAGGSTKSA-N 409.441 5.001 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12c1ccccc1Oc1ccccc12 587612128 UHOWJNQXYRTGOV-HSZRJFAPSA-N 408.409 5.403 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2ccc(O)cc2)c1 587613338 YOVQSFYZTRDXGQ-OZXSUGGESA-N 410.425 5.468 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCCC2)s1 587614782 UIGDVUPSZJOJAP-OFNKIYASSA-N 407.491 5.147 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2nccs2)c1 587619863 VDTTXSQGLDGMAP-DENIHFKCSA-N 401.443 5.219 0 1 HKAF Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccncc2)cc1 587623766 OYJZFPFNKHATLT-UHFFFAOYSA-N 403.283 5.844 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(O)cc2Cl)N1 587698621 ZELKXGUUROZWPW-VGDKGRGNSA-N 405.094 5.224 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2cccc(Cl)c2)N1 587704142 SMOHUKMXFMUFHD-GIGQVBGESA-N 420.713 5.255 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OC(F)(F)F)cc2)N1 587714529 ACYLBNMWKYZGER-BTDLBPIBSA-N 418.228 5.285 0 1 HKAF CC[C@@]1(c2cc(F)c(F)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587718069 MKXUADQCKXEHJU-DYBLOJMWSA-N 402.229 5.193 0 1 HKAF CC[C@@]1(c2cccc(Cl)c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587724860 MBJVNCMXSFUMRY-MGNBDDOMSA-N 400.694 5.569 0 1 HKAF CC(C)CCOc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587795691 RHBSMVJEARAVGZ-LHSJRXKWSA-N 406.339 5.637 0 1 HKAF CC(C)[C@@]1(COCc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587802656 SYPGYLQGFMJUQP-QVKFZJNVSA-N 406.339 5.191 0 1 HKAF CC[C@@]1(C23CC4CC(CC(C4)C2)C3)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814683 IBPLOYVMWHQDDI-SPNVETDYSA-N 406.383 5.944 0 1 HKAF Cc1sc(N)c([C@]2(C3CC3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587843273 IBZOVZZIXBZWSC-HOGDKLEQSA-N 409.368 5.037 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(F)cc(F)c2[nH]1 587949690 YEBCGRAZUCXGGF-IVZHQMGZSA-N 412.480 6.126 0 1 HKAF C[C@@H](CC1CCCCC1)[C@@H]1c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961779616 GQJLLHIUNSKXEO-MHECFPHRSA-N 412.618 6.486 0 1 HKAF COc1ccc([C@@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1OCCC(C)C 962616811 BMZKPOVYTQQEOY-MZNJEOGPSA-N 413.558 5.103 0 1 HKAF Fc1ccc(CC[C@]2(C3CCCCC3)NCCc3cc(-c4ccccc4)ccc32)cc1 962668968 OHPVXFDKOGVOCI-GDLZYMKVSA-N 413.580 7.047 0 1 HKAF COc1ccc2c(c1OC)[C@]1(CC[C@H]1C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962682032 UJDMCOARKMGAPQ-JLCFBVMHSA-N 419.443 5.046 0 1 HKAF Clc1ccccc1Cn1cc([C@H]2c3ccsc3CCN2Cc2cccnc2)cn1 962996315 PCIVWDKJLSQMPF-QHCPKHFHSA-N 420.969 5.189 0 1 HKAF Cc1ccc(CC[C@@]2(c3cc(F)c(F)c(F)c3)NCCc3c(C)ccnc32)cc1C 963072848 OPMSNUIYGYOORL-VWLOTQADSA-N 410.483 5.446 0 1 HKAF CCCCCCN1CC[C@H](CC[C@@H](O)c2ccnc3ccc(OC)cc23)[C@H](CC)C1 1772570450 XIOSYABBIYIWTR-YZIHRLCOSA-N 412.618 5.985 0 1 HKAF COc1cc(N(CC2CC2)c2cccc3ccccc23)ccc1C(=O)[C@H]1C[C@H]1C(=O)O 1772616119 VDEAONBMFRVCMV-FCHUYYIVSA-N 415.489 5.300 0 1 HKAF Cc1ccc(-c2cc(-c3cccc(NC(=O)c4ccc5ccccc5n4)c3)n[nH]2)cc1 1857597118 YLAXDJIMXGQCDI-UHFFFAOYSA-N 404.473 5.853 0 1 HKAF FC(F)(F)c1cccc2sc(N3CCc4c([nH]c5ccc(Cl)cc45)C3)nc12 1857617219 ANZPKWNMULIYFS-UHFFFAOYSA-N 407.848 6.013 0 1 HKAF CO[C@H](C=C(C)C)C/C(C)=C/Cc1c(O)ccc2c1O[C@H](c1ccc(O)cc1)CC2=O 1857618480 KQOMYGPVFBMLTK-WJSAFFJCSA-N 422.521 5.664 0 1 HKAF FC(F)(F)c1ccc(Cn2cncc2-c2cc3cc(Br)ccc3[nH]2)cc1 1857644042 WUKHMKZMNDFMRC-UHFFFAOYSA-N 420.232 5.861 0 1 HKAF Cc1cccc(C)c1NC(=O)N[C@@H](C(=O)Nc1cc(F)ccc1F)c1ccccc1 1857753984 FYVITMKJQYLJEZ-OAQYLSRUSA-N 409.436 5.083 0 1 HKAF CC1=C[C@H](CNCc2ncc[nH]2)[C@H](C(C)C)C[C@@H]1Cc1nc2ccc(Cl)cc2[nH]1 2356288098 WDWVCDOOUNQTCJ-LMMKCTJWSA-N 411.981 5.126 0 1 HKAF CC[C@H](C)C(=O)c1c(O)c(C)c(OCC=C(C)CCC=C(C)C)c(C(C)=O)c1O 2356380140 SLMXSSJVARUOAM-INIZCTEOSA-N 402.531 5.909 0 1 HKAF C[C@@H](C=C[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]2C(=CC=C3C[C@@H](O)CC[C@H]3C)CCC[C@]21C 2356459216 CJYKTRYRFPHSGB-WRXVAADLSA-N 414.674 6.836 0 1 HKAF COc1cc([C@@H]2OC[C@H]3[C@H]2CO[C@H]3c2ccc3c(c2)OCO3)ccc1OC=CC(C)C 2356498978 NXUQPWMHPDPMCA-DRTRNHDVSA-N 424.493 5.048 0 1 HKAF Nc1[nH]c(C(=O)c2ccccc2)c(-c2cccc3ccccc23)c1C(=O)c1ccccc1 199710276 CETVGUOXVXWARH-UHFFFAOYSA-N 416.480 5.879 0 3 HKAF CCC1(CC)N=C(C(F)(F)F)c2cc(C(=O)C(F)(F)F)c3ccccc3c2N1 1864299 ANJTWHWNJGMOHE-UHFFFAOYSA-N 402.338 5.878 0 1 HKAF CC(C)=CCC[C@@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@@]12C 6491678 ZBFPGLKEWSMWSG-WZLOIPHISA-N 424.713 8.255 0 1 HKAF OC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1 13674292 LLQCATMGHGFZSS-UHFFFAOYSA-N 419.996 6.236 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[C@H](P(=O)(O)O)[P@](=O)(O)CO 13742081 WLNRYRXVHPIXBF-QTTZFFEJSA-N 422.439 5.300 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@](C)(C[C@H](O)C3=CC(=O)O[C@H]3O)CCC[C@]12C 26964070 JSDANYFQRXTLHP-FXCTVSRLSA-N 406.607 5.224 0 1 HKAF O=C(Cc1ccc(Br)cc1)Nc1ccc2oc(Cc3ccccc3)nc2c1 28712398 TUVSGPSQRFIJLR-UHFFFAOYSA-N 421.294 5.362 0 1 HKAF CCOCCN(CCOCC)c1cc(-c2ccccc2)cc(-c2ccc(O)c(C)c2)n1 29563692 UDUZAKDLZAVSDS-UHFFFAOYSA-N 420.553 5.309 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820627 PUGBZUWUTZUUCP-VWPPATMQSA-N 400.691 7.635 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 36371186 LGJMUZUPVCAVPU-NDFUPEOCSA-N 416.734 8.105 0 1 HKAF COc1cccc2c([C@H](C)CN3CC=C(c4c[nH]c5cc(F)ccc45)CC3)coc12 45357845 RJJULGLATNVXBG-MRXNPFEDSA-N 404.485 5.955 0 1 HKAF Fc1cccc(F)c1Cc1cnc(Nc2ccc(Oc3ccncc3)c(Cl)c2)o1 49069894 TUQHYOACAIFNEE-UHFFFAOYSA-N 413.811 6.128 0 1 HKAF Cc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)CCC(CN3CCCC3)=C4)cc2)cc1 72118428 XBNMTFCAASXMHH-UHFFFAOYSA-N 422.572 6.340 0 1 HKAF Cc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2c2nc(-c3ccccc3)cs2)cc1 72177469 NSYQOBBFAGLGJV-SANMLTNESA-N 423.585 7.091 0 1 HKAF CCCCCc1nc(-c2cnc(N3CCC(O)CC3)nc2-c2ccccc2C)oc1C 82177491 GAVNARYVEWETII-UHFFFAOYSA-N 420.557 5.109 0 1 HKAF Cc1ccc(-c2nn(-c3ccccc3)cc2CNc2ccc(Br)cc2)cc1 84712247 JEYNJUMNOOUUDG-UHFFFAOYSA-N 418.338 6.222 0 1 HKAF Cc1nc(-c2ccc([C@@H]3Nc4ccccc4C(=O)N3c3ccccc3)s2)cs1 95585442 AVBPQEDCJWOBPP-OAQYLSRUSA-N 403.532 5.951 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 95913994 VCNKUCWWHVTTBY-XJNUBZBUSA-N 412.746 9.278 0 1 HKAF biogenic,in-vitro COc1ccc(-c2nn3c(COc4cc(C)ccc4C(C)C)nc(=S)nc3o2)cc1 103176868 MYIOICZXDBFIJO-UHFFFAOYSA-N 422.510 5.133 0 1 HKAF COC(=O)CCCCCCCO[C@H](Cn1cncn1)c1ccc(-c2ccccc2)cc1 103273020 YLBRUWYAEBBQNX-XMMPIXPASA-N 421.541 5.217 0 1 HKAF Cc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4c[nH]c5ccccc45)C3=C(O)C2)cc1 104050282 LEVLZFUCNVARIN-GDJIYFAZSA-N 419.528 7.105 0 1 HKAF CC(C)[C@@H](C)[C@@H](C)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137540994 YWMIDHFXAUEUTC-VMQVIPOFSA-N 414.718 7.881 0 1 HKAF CC[C@@H](Nc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccccc1 140537142 YYNDKEHTFLPXSQ-OAHLLOKOSA-N 413.323 5.146 0 1 HKAF Cc1cccc(C)c1N1C[C@@](C)(C(=O)Nc2cc(Cl)cc(Cl)c2)[C@H](C)C1=O 142524446 ODHKYYAELLMPBR-SPLOXXLWSA-N 405.325 5.238 0 1 HKAF CC(C)n1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2Cl)s1 142568475 BTEBBJDACLZGME-UHFFFAOYSA-N 414.840 5.512 0 1 HKAF CCCc1ncc(Cc2coc3ccc(F)cc3c2=O)c2cc(OC)c(OC)cc12 145059345 ROZGSYVKGTYPFR-UHFFFAOYSA-N 407.441 5.041 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCCC(=O)N1Cc1cccc(-c2cncs2)c1 167578512 NPPBRYYJKAJECL-LJQANCHMSA-N 422.550 5.471 0 1 HKAF Cc1cc(O)c(C)c2c1O[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C=C2 197239021 UGGWLEJOHZBWFT-XJGOYTCSSA-N 414.674 8.612 0 1 HKAF O=C(O)C[C@H](CC(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 217071566 CXDHLMPYQMURSA-IBGZPJMESA-N 423.896 5.506 0 1 HKAF NC1(c2ccc(-c3nc4ccc(-c5cccnc5)cn4c3-c3ccccc3)cc2)CCC1 224250322 UDVSAIBACXRTOQ-UHFFFAOYSA-N 416.528 6.068 0 1 HKAF CC(=O)O[C@@H]1C[C@H]2C(C)(C)CC=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](c4ccoc4)CC[C@H]3[C@]12C 238745449 OIYMSAOAFKGCMV-QSAVFGIQSA-N 424.625 7.140 0 1 HKAF CCCc1c([C@H]2CCOC(C)(C)C2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990449 FQESYHMQGRYLSJ-HNNXBMFYSA-N 401.506 5.777 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@H]4c1cccc(Cl)c1)-c1ccccc1C2=O 586993542 OMBJXCPMEYGDOV-NRFANRHFSA-N 423.899 6.055 0 1 HKAF CCN1C(=O)C[C@@H](c2nc3cccc(C(F)(F)F)c3[nH]2)[C@@H]1c1ccccc1Cl 587060799 FUGKKKDMNFILTB-XIKOKIGWSA-N 407.823 5.312 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccnc(Cl)c2[nH]1)c1cccc(Cl)c1 587072411 VXNFEIHQFZJGJT-AWEZNQCLSA-N 407.301 5.073 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(OCCC(C)C)cc4)nc13)-c1ccccc1C2=O 587098130 VCBSQFVMXJEGGV-UHFFFAOYSA-N 407.513 6.847 0 1 HKAF COc1ccccc1[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355568 YLPCPHFAZAZZHF-OZXSUGGESA-N 420.480 5.840 0 1 HKAF O=C1c2ccc(O)cc2OC(c2ccsc2)(c2ccsc2)[C@H]1c1ccc(F)cc1 587375545 MTSUOCSOXVTJPZ-NRFANRHFSA-N 422.502 5.957 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)O2 587381174 CPAYCJQWDJKIAY-OAQYLSRUSA-N 413.395 6.095 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC13CN(C(c1ccccc1)c1ccccc1)C3)O2 587398347 FAOPCAUEBWAZQJ-MUUNZHRXSA-N 424.544 5.167 0 1 HKAF CC(=O)CCCCCCCCCCCC[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587403691 PRKIIRQZUMIPDK-RUZDIDTESA-N 401.591 6.571 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1c(Cl)cccc1Cl)[C@@H](C2)C3=O 587424241 YIHFWTVCPRCBJE-QMHKHESXSA-N 411.284 5.693 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(Br)ccc3ccccc13)CC2=O 587457129 FQGGJSXPXUNXRW-HXUWFJFHSA-N 411.295 5.967 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc3c(c1)CCCC3)CC2=O 587484563 SEBREVNBMZNPMT-AREMUKBSSA-N 422.521 5.037 0 1 HKAF CCOc1ccc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587503271 NMLOCFSPOXIOJA-HXUWFJFHSA-N 401.300 5.433 0 1 HKAF O=C1C[C@H](c2ccc(COc3ccc(F)cc3F)o2)Oc2c1ccc1c2CCCC1 587504253 IESUUARTQPRSDB-HSZRJFAPSA-N 410.416 5.722 0 1 HKAF C[C@]1(Cc2c(Cl)cccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541235 FBBMPHVINJQSMN-DENIHFKCSA-N 415.272 5.662 0 1 HKAF COc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587598074 ALNDSBBUFVVWQQ-SHQCIBLASA-N 424.452 5.306 0 1 HKAF CC(C)C[C@@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599928 IZXUYBBWKBBMPS-JYFHCDHNSA-N 402.490 5.772 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@@H](c1ccccc1)C2 587603006 KLHKBZXGLUUGHC-FRPAHBMMSA-N 400.474 5.841 0 1 HKAF C[C@]1(c2ccc(-c3cccs3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611289 HUMMSNMBGQQNNB-WIOPSUGQSA-N 414.482 5.998 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccccc2)cs1 587615375 WKLFDEQHTSAECU-UGKGYDQZSA-N 401.443 5.219 0 1 HKAF Cc1cccc(NC(=O)c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1 587625352 GKKNWONKINIEAI-UHFFFAOYSA-N 400.322 6.075 0 1 HKAF COC(=O)c1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2c(C)cc(Cl)cc12 587625991 AWPCNDCGOKKQQC-ZDUSSCGKSA-N 406.910 5.031 0 1 HKAF COc1cc(Cl)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587691005 AZNJBXZGOKYQCS-CQLKUDPESA-N 419.121 5.527 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3ccc(Cl)cc23)N1 587699447 QFGKFTPHSFGXGH-GIGQVBGESA-N 407.714 5.521 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(C(F)(F)F)c2)N1 587710369 FYABFAMRGAZUQK-HUTHGQBESA-N 418.228 5.110 0 1 HKAF CCCCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587712941 APZQLFKLRDUQBK-MPBGBICISA-N 410.302 5.530 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(-c3cccs3)c2)N1 587716670 JPIOSGUNJPMYKV-GIPWTMENSA-N 420.322 6.079 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3F)s2)N1 587725127 BMMLHBFNLOZFDQ-BIBXISHDSA-N 420.322 6.079 0 1 HKAF CCc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587757340 UVJOQWRLSICKMD-RCDICMHDSA-N 413.334 5.565 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccncc3)cc2)N1 587776867 DZESGZJXOWUMKD-FPTDNZKUSA-N 411.318 5.448 0 1 HKAF CCCCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587793533 NMCZSOZCWVDMRR-QKKBWIMNSA-N 406.339 5.781 0 1 HKAF COc1ccccc1C[C@@H]1CCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587811061 UUYLCXZPTHJZOI-JKXTWKSPSA-N 418.350 5.369 0 1 HKAF Cc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587813384 BWWXBKIEFXCZPB-OSPHWJPCSA-N 424.357 6.031 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCC3)Oc3ccccc32)N1 587839583 SXWZXAGTBONENO-LRTDBIEQSA-N 402.307 5.071 0 1 HKAF CC(C)[C@@]1(c2ccc(Cl)s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587848318 NRABDDRSEGHZGU-DYZYQPBXSA-N 402.760 5.737 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2-c2ccsc2)N1 587852538 HBNOPXBUAYFOOT-JEOXALJRSA-N 403.320 5.335 0 1 HKAF O=C(OCc1ccccc1)N1CCO[C@@H](c2nc(-c3cccc(Cl)c3)cs2)C1 587920414 KDCHPCKDQXRWTH-LJQANCHMSA-N 414.914 5.174 0 1 HKAF CC[C@@]1(Cc2nc3c(Br)cnc(Cl)c3[nH]2)CC(=O)c2ccccc2C1 587960539 MGHZFBUKFMSWNV-IBGZPJMESA-N 418.722 5.142 0 1 HKAF Cc1ccc(-c2ccc(O[C@H](C)[C@@]3(C)N[C@H](C(=O)O)Cc4cccc(F)c43)cc2)cc1 962898855 OZIKQYKJISNXQA-WVTMANGGSA-N 419.496 5.083 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(COc3cccc(Cl)c3)o2)N1 962950357 MPCSHONJXCOMFI-GYCJOSAFSA-N 406.913 6.007 0 1 HKAF COc1ccc2c(c1)[C@H](c1nc(-c3cc(C)c(OC)c(C)c3)cs1)N[C@@H]1CC[C@H]21 962997643 RGJXCYVQCVCAPX-SYYKKAFVSA-N 406.551 5.383 0 1 HKAF CCC[C@@H](C)N1CCC(N(Cc2ccccc2)C(=O)Nc2ccc3c(c2)CCC3)CC1 1772574023 XJBUXUYJRKYIMK-OAQYLSRUSA-N 419.613 5.862 0 1 HKAF COc1ccc(-c2nc(-c3cc(C)nc(C(F)F)c3)c3n2C[C@@H](C)OCC3)cc1C 1772621330 BEGSLPZGSYZQOG-OAHLLOKOSA-N 413.468 5.136 0 1 HKAF COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2c[nH]nc2c1 1857571700 JQYWBNMMSSKERC-UHFFFAOYSA-N 411.383 5.510 0 1 HKAF COc1ccc(-c2c3sc(=NCC4CCCCC4)nc-3[nH]c3c2CCCC3)cc1 1857597259 BACAOEZCRLEXSJ-UHFFFAOYSA-N 407.583 5.611 0 1 HKAF C[C@@]12CCC[C@H]3C[C@@]([C@@H]4C[C@H](Cc5ccc(=N)[nH]c5)CC5(CCCC5)C4)(C[C@H](N)[C@H]31)O2 2356297739 XVWCVNLEKPCASR-GKTHCJFOSA-N 423.645 5.078 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CCC2=C3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356486459 TXYKXUMXTVCWMN-OMPTXQQOSA-N 402.663 6.504 0 1 HKAF CC1=C[C@H](CNCc2ccccn2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o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c1ccccc1-c1c(CC(=O)N(Cc2ccncc2)C(C)C)c2ccccc2n1C 603694 QBIOEIXFXALQMC-UHFFFAOYSA-N 411.549 5.528 0 1 HKAF Cc1nn(-c2cccc(Br)c2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccccc2)C1 8624021 UIADSYHWCSUSNI-TZIWHRDSSA-N 422.370 5.454 0 1 HKAF biogenic Cc1cccc2[nH]c(C(=O)c3cc4cc(OCCN5CCCCC5)ccc4[nH]3)cc12 13703779 QAKBRLMMNDWGCC-UHFFFAOYSA-N 401.510 5.053 0 1 HKAF O=C(O)c1cccc(OCCCCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 13727414 KZAWDDOSUFEAQV-UHFFFAOYSA-N 413.473 6.109 0 1 HKAF CC/C(=C(\c1ccccc1)c1ccc(/C=C/C(=O)NCCCO)cc1)c1ccccc1 13736710 JRGBOADWPVFNEG-ZIKUKRDVSA-N 411.545 5.568 0 1 HKAF Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)[C@H](C)C3)cc2)c1-c1ccccc1 13977224 IJXRJXMYHWPNMW-HXUWFJFHSA-N 422.576 6.094 0 1 HKAF CC(C)=CCC[C@]1(C)C=Cc2c(O)ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O1 14690564 BVVVHQJFODXUQX-SQJMNOBHSA-N 422.477 5.421 0 1 HKAF biogenic,in-vitro CC(C)c1nnc2ccc(-c3ocnc3-c3ccc(F)c(Br)c3)cn12 14961229 MGWJKOIJCRUTRD-UHFFFAOYSA-N 401.239 5.076 0 1 HKAF Clc1cc(Cl)cc(N2CCN(CCCOc3ccc4c(c3)CCC4)CC2)c1 26503605 CJFWSZGDDMQQTG-UHFFFAOYSA-N 405.369 5.073 0 1 HKAF CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2ncccc2C)nc1CC 28956443 DELOIKUHVLMGAZ-FCHUYYIVSA-N 418.541 5.212 0 1 HKAF Cc1ccccc1C(=O)c1cccc([C@@H](C)CN2CCCC[C@@H]2CC2CCCCC2)c1 29412101 AYFZEWVXVQCFDL-WNCULLNHSA-N 417.637 7.154 0 1 HKAF COc1cccc2c1-c1ccc3c(c1[C@@H]([C@H]1C=CCCCC1)O2)C(C)=CC(C)(C)N3 29467972 ICPSJRDYGBVYFW-HFJWLAOPSA-N 401.550 7.150 0 1 HKAF CC[C@H](Cc1ccccc1)c1cc(O)c(Cc2ccc(-c3ccccc3)cc2)c(=O)o1 45231166 RYPDXRJEPLFQHT-JOCHJYFZSA-N 410.513 6.340 0 1 HKAF O=C(O)Cc1sc(N(c2ccccc2)c2cccnc2)nc1-c1ccc(F)cc1 49054989 HJWBQZDPEIWYMC-UHFFFAOYSA-N 405.454 5.441 0 1 HKAF CC(C)CCc1ccc2c(NCCCNCc3ccc4c(c3)OCO4)ccnc2c1 72126064 JXINTQAYKMZSFW-UHFFFAOYSA-N 405.542 5.144 0 1 HKAF Cc1noc(NC(=O)N2CCC3(CC2)CC(c2ccc(Cl)c(Cl)c2)C3)c1C 73166132 QDPLMKLUPJZGSS-UHFFFAOYSA-N 408.329 5.790 0 1 HKAF CC[C@@H](C)NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccccc1 82133245 NMHFOALCMXGHEZ-KHYFJFHWSA-N 406.574 5.155 0 1 HKAF O[C@@]1(c2cccc(Cl)c2Cl)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12 101185378 GMEKBIQFYDAEOK-MFKICJERSA-N 402.321 5.754 0 1 HKAF Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@H]1CC(c1ccccc1)C2 101273439 ANZNNONCPKQWNN-SFTDATJTSA-N 422.399 7.493 0 1 HKAF C[C@H]1CC[C@@H](NCc2ccc3c(c2)Cc2c(-c4ccc5cc(O)ccc5c4)n[nH]c2-3)CC1 101823312 WXOUUHFONNXGKO-QBNMFFNISA-N 423.560 6.175 0 1 HKAF CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N1 104697290 NNAXDYUWSTUMTD-JOCHJYFZSA-N 422.475 6.048 0 1 HKAF CC[C@H](C)NC(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F 105179197 ZCUHJOCIFKATHC-DQIRPTDVSA-N 424.564 5.294 0 1 HKAF CCOC(=O)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1 114711694 AXDNFXIPAAMQBV-UHFFFAOYSA-N 411.527 5.340 0 1 HKAF Fc1ccc(Br)c(F)c1-c1c(Cl)ncn1-c1ccc(Cl)cc1 115168584 WTCPPEFJRKCQLR-UHFFFAOYSA-N 404.041 5.887 0 1 HKAF CCCC1([C@H](O)c2cccc([C@H]3CCC(=O)[C@@H]3CCCCCCC(=O)O)c2)CCC1 117771534 HOCLEBHKVQABNF-TZBSWOFLSA-N 414.586 6.178 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3c(cc(O)c(C/C=C(/C)CCC=C(C)C)c3O)O2)cc1 210462019 LKAFYCSXBIOTDY-GFLLXWSHSA-N 422.521 6.048 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3C=Cc4cc(C(=O)O)ccc4[C@H]3CC[C@]12C)C(C)C 253639017 UNTVUXKLSQXPLR-HDXRJONQSA-N 409.570 5.583 0 1 HKAF CN(Cc1ccccc1)c1cccc(-c2cc(N[C@H]3CC[C@H](N)CC3)ncc2Cl)n1 261091688 DPUSROIQZPAMDT-WGSAOQKQSA-N 421.976 5.115 0 1 HKAF Cc1cccc(C)c1/C=C/[C@](C)(O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O 299865488 UAKMDXCKKFBVBW-FWMJDOGPSA-N 412.658 6.841 0 1 HKAF Cc1oc2c(c1-c1nc3cc(C(F)(F)F)c(Br)cc3[nH]1)C(=O)CCC2 586902577 BXBGICTZVISJHH-UHFFFAOYSA-N 413.193 5.432 0 1 HKAF CC(C)(C)c1cccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 586966452 NNBNZIOLTJADSQ-UHFFFAOYSA-N 417.582 5.670 0 1 HKAF COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1OC(F)F 586985079 ADOHSVNCRZFGMX-UHFFFAOYSA-N 419.383 5.429 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccc(Cl)c(Cl)c1C3 586985464 HVBHTZUNAYARMO-UHFFFAOYSA-N 404.252 6.030 0 1 HKAF Cc1c(-c2ccc(C(F)(F)F)c(F)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586986537 MQLVDOAKXBUETC-UHFFFAOYSA-N 423.365 6.285 0 1 HKAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)s1 587023662 SPVWOEFZPRCJQI-UHFFFAOYSA-N 418.828 5.706 0 1 HKAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587027231 RMPXESLJHDGMSG-UHFFFAOYSA-N 401.495 5.010 0 1 HKAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(Cl)c(F)cc4[nH]3)c2C1 587031717 LLWVPPAVQSPSRI-UHFFFAOYSA-N 407.898 5.377 0 1 HKAF Oc1nc2cc3nc(-c4cc(-c5ccccc5)nc5c(Cl)cccc45)[nH]c3cc2[nH]1 587082365 LTWKSFLAZMKDLH-UHFFFAOYSA-N 411.852 5.680 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(Cl)cc2[nH]1 587086278 DPKWNQAMNLRQGA-CLFYSBASSA-N 417.727 6.247 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587104608 SEDLSOJODWJRFI-HNNXBMFYSA-N 414.505 5.170 0 1 HKAF Fc1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1Br 587134431 LLHYHHQHDPKJOI-RJRFIUFISA-N 407.111 5.330 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c(F)c2)c(F)c1 587149723 AHINXEBHRSIZSW-UHFFFAOYSA-N 405.326 5.598 0 1 HKAF CC(=O)c1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)nc1C 587341292 VXKUAFLKBNRHMM-NOZRDPDXSA-N 419.452 5.020 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Oc3ccc(F)cc3)n(C)c3ccccc13)O2 587384046 JJGJBTADQBBTOV-JOCHJYFZSA-N 416.452 5.707 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(F)cc3)nc3ccc(Cl)cn13)O2 587384735 NWZNZPIGHGIYKZ-IBGZPJMESA-N 421.859 5.391 0 1 HKAF CCCC[C@]1(c2ccc(Cl)cc2Cl)CC(=O)c2ccc(O)c(CCC)c2O1 587460490 GLPAUNXTTQKMHL-JOCHJYFZSA-N 407.337 6.702 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccc(C(C)(C)C)cc1)CC2=O 587480110 NJCUOFXZBDNRLK-RUZDIDTESA-N 410.510 5.066 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCCC(=O)O)(c1ccc(C(C)(C)C)cc1)CC2=O 587489047 MLCODNQIPGPLBC-SANMLTNESA-N 424.537 5.758 0 1 HKAF COc1ccc([C@@]2(c3cccc(F)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587501849 GGOGHQLNTCTJSE-AREMUKBSSA-N 402.465 5.622 0 1 HKAF C[C@@]1(c2ccc(-c3ccc(C(=O)O)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587529145 JNBJLDCDXIVELX-MHZLTWQESA-N 412.485 5.811 0 1 HKAF O=C(O)CC[C@]1(c2csc3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587535883 PCOIIUJKBTWWNP-XMMPIXPASA-N 406.503 5.506 0 1 HKAF CC[C@H](C)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587544094 LMQPGLNMKVDPES-WVRMYWEISA-N 424.880 5.926 0 1 HKAF CC(C)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587580399 XQFNAMAXVWXRPB-JYFHCDHNSA-N 413.473 5.706 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(C(=O)c3ccc(Cl)cc3)c2c1 587639641 BAOYIFZVMMEOJK-OAHLLOKOSA-N 422.355 7.886 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3C(=O)O)c(-c3ccc(Cl)cc3)c2c1 587642328 REQYUJWTEGUNEQ-HNNXBMFYSA-N 403.909 7.367 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(Cl)c2Cl)N1 587693399 NIFKJDMUYLWAJQ-QZTNRIJFSA-N 405.094 5.224 0 1 HKAF CC(C)C[C@]1(Cc2cccc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587695478 BIFCEOQCKBUOSR-LHSJRXKWSA-N 424.785 6.260 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(Cl)cc2Cl)N1 587698341 VCXXJICAYRHMDX-MLCYQJTMSA-N 417.149 5.887 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cc(Cl)ncc3c2)N1 587705271 MAVSZTJBBBCTSQ-APBUJDDRSA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Cl)c2)(C(F)(F)F)N1 587709012 HFODVDUSHXUWPY-ABKXIKBNSA-N 422.647 5.582 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)c(Cl)cc2F)N1 587714427 FMEUNVRNJRVCHC-WNWIJWBNSA-N 421.112 5.832 0 1 HKAF COc1c(F)cc(F)cc1CC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587722564 SQWXZOXAERQDAT-HWPZZCPQSA-N 414.265 5.083 0 1 HKAF Cc1cc(OC(F)(F)F)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587723051 UYVJDZMPODYULZ-QGHHPUGFSA-N 418.228 5.419 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccccc2F)N1 587727332 NYCWQNWUKMLVOQ-ODXCJYRJSA-N 403.270 5.142 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2[nH]c2ccc(F)cc32)N1 587727766 DHJAMVFNHCMCRV-FIKIJFGZSA-N 417.297 5.323 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCSc3cc(F)c(F)cc32)N1 587730507 JCTGDTAXFYKQRG-YYSFKGJASA-N 414.290 5.140 0 1 HKAF CC(C)n1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587758536 QNPBNKNDZIBZME-ASSNKEHSSA-N 401.323 5.747 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)-c2ccccc2C3)N1 587815682 OQLSEEOFJQSUFR-SHACYNPGSA-N 422.341 5.957 0 1 HKAF COc1ccc([C@]2(c3ccco3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587826656 GDYSYMKIRZFOKO-LRTDBIEQSA-N 416.290 5.016 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3sc4ccccc4c32)N1 587859484 XELNZIRLFBQDGG-BIBXISHDSA-N 402.332 5.527 0 1 HKAF COc1ccc2cc([C@@H](C)c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)ccc2c1 587934776 NYAUERZSYJXKLD-QGZVFWFLSA-N 406.485 6.108 0 1 HKAF Nc1cccc(Br)c1-n1c(O)cc(-c2ccc(Cl)cc2Cl)c1O 587936308 SADKJSAYRARIHU-UHFFFAOYSA-N 414.086 5.207 0 1 HKAF CCC[C@@H](c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)C(C)C 587955384 OBJJKNKOWRYVMY-CQSZACIVSA-N 421.438 6.513 0 1 HKAF CC[C@]1(Cc2nc3cc(Br)c(C)c(C)c3[nH]2)CC(=O)c2ccccc2C1 587961798 UWNZWKVQFBKXIM-JOCHJYFZSA-N 411.343 5.710 0 1 HKAF CCCCCOc1cc2nc(/C=C(\C)C3CCCCC3)[nH]c2cc1Br 587969511 YOPWXGJHIRRDBP-NTCAYCPXSA-N 405.380 6.878 0 1 HKAF COc1cc(OC)cc([C@@H]2C(=O)c3cc(OC)cc(OC)c3[C@H]2c2ccc(C)cc2)c1 653735451 HSZFEEICFBQBEV-ZEQRLZLVSA-N 418.489 5.141 0 1 HKAF COc1ccc2c(c1)[C@](C)(c1sc(Nc3cccc(C)c3)nc1C)N(C(C)C)CC2 962092812 QRRFBIABHJMLAS-RUZDIDTESA-N 421.610 6.042 0 1 HKAF Clc1cccc(Cl)c1[C@@]1(C2CC2)c2ccsc2CCN1Cc1ccco1 962707928 POBCSVBAJNDBRB-OAQYLSRUSA-N 404.362 6.360 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)C(/C=C\c2ccccc2)(/C=C/c2ccccc2)N1 962946292 KWWFGVCONHTPCB-VYSYFKKYSA-N 404.557 6.714 0 1 HKAF Fc1ccc(-c2cn3nc(-c4c[nH]c5ccc(Br)cc45)sc3n2)cc1 1857598477 KSHSEZACKIZOSG-UHFFFAOYSA-N 413.275 5.508 0 1 HKAF Oc1ccc2cc1Oc1cc(ccc1O)CC[C@@H](NCc1ccccc1)CCCC2 1857598639 SFQPKUYGOAOULG-QFIPXVFZSA-N 403.522 5.708 0 1 HKAF CN1c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C(C)(C)C(=O)C1(C)C 1911570345 GPNKQDHRDIXHDC-UHFFFAOYSA-N 419.447 5.425 0 1 HKAF c1ccc(CC2CCN(C[C@@H]3CS[C@@]4(CCCCc5ccccc54)S3)CC2)cc1 1911577390 AGCJIQWBHFFGSG-RSXGOPAZSA-N 423.691 6.369 0 1 HKAF C/C=C(\C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CC/C(C)=C/C(=O)O)[C@@H]2CCC=C(C)[C@@]21C 1911580590 XEAOZVIWAIPENF-JNMAUSSQSA-N 402.575 6.084 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCCC(C)(C)[C@@H]1CC3 2356432054 OJTUSJZQVLETGQ-KZDCTNGRSA-N 410.730 9.508 0 1 HKAF COc1cc2c(cc1CC=C(C)CCC=C(C)C)[C@@H]1COc3cc(O)ccc3[C@@H]1O2 2356545377 RQUGKUQXWLYLSN-NVQXNPDNSA-N 406.522 6.246 0 1 HKAF COC(=O)CC(=O)OCC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CCc1ccoc1 2356660926 VPURRDSZEMLSDB-QBZXIGGISA-N 402.531 5.097 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356732241 HWNMKCKZWVCWCI-FOFYAQBASA-N 418.662 5.330 0 1 HKAF COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(C)C[C@@H]4[C@H]3c2ccccc2)cc1 8679920 APSKRXQLXFKZGD-YSPZNPPASA-N 423.556 5.592 0 3 HKAF CC[C@H](C(=O)NCc1ccccc1)n1c(Cc2cc(F)cc(F)c2)nc2ccccc21 95571145 BSWTYHKSDQZABJ-JOCHJYFZSA-N 419.475 5.173 0 3 HKAF CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3ccc(F)cc3Cl)ccc21 201456335 NEBUAYLXZHKVOR-UHFFFAOYSA-N 424.859 5.402 0 3 HKAF FC(F)(F)c1cc(CN[C@@H]2CCC23CCC(c2ccccc2)CC3)ccc1Cl 205707776 MWWMZLKKNPPTKW-NFOQDIRWSA-N 407.907 6.955 0 3 HKAF CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCc1ccc(OCC)cc1 4217083 KYKFITCQGWEZNH-JWQCQUIFSA-N 422.569 5.458 0 1 HKAF Oc1cc(O)c2c(c1)CCCCC/C=C/CCCCCCCc1cc(O)c-2c(O)c1 14763958 HOVAOLZRJGYNIZ-DUXPYHPUSA-N 410.554 6.732 0 1 HKAF CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccc3c(c1)CCC(C)(C)O3)CC2=O 15205964 UUJGHXKKHDPLPR-QFIPXVFZSA-N 408.494 5.417 0 1 HKAF biogenic,in-vitro C1=C(c2ccc(CCN3CCc4ccccc43)cc2)[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 29127938 WWQFGJHILWPTGQ-XRKRLSELSA-N 420.600 5.827 0 1 HKAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2COC(c2ccccc2)c2ccccc2)N3C)cc1 36270766 PZCLLOMRKKUTII-HPQIJTKRSA-N 411.589 6.368 0 1 HKAF Cc1ccc(Cc2cc([C@H]3[C@@H](c4ccc(Cl)cc4)C[C@@H]4CC[C@H]3N4C)on2)cc1 40423498 CPJBQIFONUXPDL-KBOSCXGNSA-N 406.957 5.961 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C/C(=N\O)C4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 40801951 GRMNIFYZNANARN-WTPUMYPLSA-N 415.662 6.829 0 1 HKAF CCCCC1=NN(C(=O)N[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)C(C)(C)[C@H]1c1ccccc1 43202204 BTHUUYVJKCBODB-OJZVVMIASA-N 409.618 6.335 0 1 HKAF CC(C)COc1ccc(Cl)cc1Cc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)o1 45226837 VJTYSMIVAMDHTF-UHFFFAOYSA-N 416.855 6.380 0 1 HKAF Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1 63298215 PYXQMJSGJIJHJT-UHFFFAOYSA-N 415.522 5.300 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCCCN3C(=O)C=CC3=O)CCC[C@@]21C 72177880 DEGMVHIIWOTZEF-FWJYYSRWSA-N 401.635 6.377 0 1 HKAF Cc1c(-c2cccc(OC(F)(F)F)c2)cc(F)c(Nc2ncccc2C(=O)O)c1F 72284417 JLVQWSZSBVNIIE-UHFFFAOYSA-N 424.325 5.676 0 1 HKAF OCCCCNc1cncc(Oc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1 82068615 RRJVWMLGOLXTNX-UHFFFAOYSA-N 419.403 5.264 0 1 HKAF CCCc1ccc(-c2csc(N[C@@H](CC(C)C)C(=O)NCC(F)(F)F)n2)cc1 82195335 JQDUUMVGPCDADI-INIZCTEOSA-N 413.509 5.268 0 1 HKAF CC1(C)Oc2cc(C(=O)c3csc4ccccc34)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21 84669240 GHDQOIYGEGPTHR-QGPMSJSTSA-N 408.519 5.254 0 1 HKAF CC[C@@H](Nc1ccc(C)c(CN2CC[C@@H](C(=O)O)C2)c1)c1cc(C)c(Cl)c(C)c1 118397245 LKPUXKNNLDAMDV-XMSQKQJNSA-N 414.977 5.735 0 1 HKAF CN1N=C2/C(=C/c3ccccc3)CN(CCc3ccccc3)C[C@@H]2[C@@H]1c1ccccc1 169325771 CXUPFXWEVDCCDH-VNMIWEMJSA-N 407.561 5.287 0 1 HKAF COC(=O)c1c(O)c(CC=C(C)C)c(O)c(CC=C(C)C)c1CCc1ccccc1 198477238 QGDVHMDRUJPSDK-UHFFFAOYSA-N 408.538 5.687 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c2c1OC[C@H](c1ccc(O)cc1O)C2=O 238742685 NRWALBDZFNTPSD-ZSTKBLHXSA-N 424.493 5.103 0 1 HKAF C=Cc1ccc(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)cc1 586881430 LNEBMZBTIFUESV-UHFFFAOYSA-N 405.295 6.214 0 1 HKAF Nc1ccc(-c2ccc3nc(-c4cccc(-c5ccccc5CO)c4)[nH]c3c2)cc1N 586894965 IFAPFFMOEXGGRA-UHFFFAOYSA-N 406.489 5.221 0 1 HKAF Cc1cc(F)c2[nH]c(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)nc2c1 587058943 SXIXYTNKGVGDAM-UHFFFAOYSA-N 402.256 5.194 0 1 HKAF Clc1ccccc1-c1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)c2ccccc2n1 587060408 LJUUOIKSDKESAR-UHFFFAOYSA-N 413.864 5.870 0 1 HKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c2)cc1 587067875 SRJLJPDNCNZHEK-UHFFFAOYSA-N 402.803 6.061 0 1 HKAF Cc1ccc2c3c(c(CCCCCCCCCC(C)C)cnc13)-c1ccccc1C2=O 587099121 ALAVTSCMAKNPQX-UHFFFAOYSA-N 413.605 8.074 0 1 HKAF CCCCOc1cc2nc(-c3c(F)ccc(F)c3OC)[nH]c2cc1Br 587133472 XSODVGWFENAXRR-UHFFFAOYSA-N 411.246 5.458 0 1 HKAF CC(C)CCOc1cc2nc(CCc3ccccc3F)[nH]c2cc1Br 587151360 XKWVUHIHLUURCW-UHFFFAOYSA-N 405.311 5.675 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc2c1 587158221 AIPPSZLPFXLLKG-UHFFFAOYSA-N 420.831 5.148 0 1 HKAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587203309 KSBQMUUKEPHGDB-UHFFFAOYSA-N 422.382 5.238 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCNc3cc(Cl)ccc32)[C@H]1c1ccc(F)cc1 587327540 GYPBLRSBTARTPI-UPVQGACJSA-N 423.871 5.645 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(C2CC2)[C@@H]1c1ccc(F)cc1 587333586 SYHWGFVKYBYNBB-VWNXMTODSA-N 408.856 5.849 0 1 HKAF C[C@@]1(c2nc3ccc(Cl)cc3[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336483 YLTRODZQFFIGSX-NZQKXSOJSA-N 422.843 5.335 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCc3ccc4ccccc4c32)[C@@H]1c1ccc(F)cc1 587355161 TWEFSUKIQYZPAI-XNMGPUDCSA-N 410.444 5.885 0 1 HKAF CSc1cccc([C@]2(c3cc(F)ccc3F)CC(=O)c3cc(C)cc(N)c3O2)c1 587382729 UKWJGMJKSXKNCU-QHCPKHFHSA-N 411.473 5.486 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(C(F)(F)F)ccc1C(F)(F)F)[C@@H](C2)C3=O 587418311 CEBYYPMGABNSAY-SJCJKPOMSA-N 402.290 5.222 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1sc(Nc4ccc(F)cc4)nc1C)[C@@H](C2)C3=O 587429070 SAHKSTRXTXWFRM-AOMKIAJQSA-N 410.470 5.006 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-c3ccccc3C(=O)O)c1)CC2=O 587490035 QCMUTUJLHKWFAI-SANMLTNESA-N 416.473 5.591 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1ccc(C)cc1)(c1ccc(C)cc1)CC2=O 587490705 UCUWJUCEPLEEFM-MHZLTWQESA-N 400.518 6.065 0 1 HKAF COc1ccc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587507472 QSTMUUNJHNOMBK-HSZRJFAPSA-N 407.897 5.725 0 1 HKAF COc1ccc([C@@]2(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587507751 NYUCGPRKFYYENH-SANMLTNESA-N 402.465 5.622 0 1 HKAF O=C1C[C@H](c2cccc(OCCCc3ccccc3)c2)Oc2c1ccc1c2CCCC1 587521675 IVORSODRZHQSNY-HHHXNRCGSA-N 412.529 6.284 0 1 HKAF CCCCCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587594398 HGWRKYASPYOLPV-RDGATRHJSA-N 404.462 5.664 0 1 HKAF Cc1cccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587602875 LNGHUABXVZNHNR-SQHAQQRYSA-N 408.453 5.606 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccccc1O 587607035 GTLFCMPRUZCMRL-BVAGGSTKSA-N 410.425 5.003 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2)cc1O 587611288 RZFHKUPUOVYNMR-ZEQKJWHPSA-N 410.425 5.468 0 1 HKAF O=C(Nc1ccccc1OC(F)F)c1c(-c2ccccc2)[nH]c2c(C(=O)O)cccc12 587637605 LQWNPKRMKDDKAC-UHFFFAOYSA-N 422.387 5.387 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(C(F)(F)F)c2)N1 587710371 FYABFAMRGAZUQK-XLFHBGCDSA-N 418.228 5.110 0 1 HKAF CCc1ccc(-c2cnc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 587774684 NTXALPSULLKQEW-YUNKPMOVSA-N 415.306 5.429 0 1 HKAF COc1cccc(C)c1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587787356 RPSPCGPLHCDTBN-UHFFFAOYSA-N 401.182 5.208 0 1 HKAF CCCOc1c(OC)cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587788835 AFVDGYHDFUAVEA-BLVKFPJESA-N 408.311 5.009 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2/CCCO2)(c2ccccc2)N1 587836883 YJUNQEJLHDNIOV-VXPPHMPBSA-N 402.307 5.060 0 1 HKAF Cc1cc(OCCn2c(O)cc(-c3ccc(Cl)cc3)c2O)c(C(C)C)cc1Cl 587939454 AALIXENUKCSCKU-UHFFFAOYSA-N 420.336 6.384 0 1 HKAF O=C(O)CCC[C@@]1(c2cccc(Cl)c2)NCCc2cccc(-c3ccccc3)c21 962672496 YGKWCFXJBYRUHN-VWLOTQADSA-N 405.925 5.651 0 1 HKAF Cc1nc(-c2cccnc2)sc1[C@]1(C)c2ccsc2CCN1Cc1ccco1 962712663 VRTHZVCRXJOSPD-QFIPXVFZSA-N 407.564 5.490 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCc1cc(F)cc(Cl)c1)c1ccccc1 963222611 BOJFKTMTLOOUON-CCLHPLFOSA-N 421.987 7.012 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)NC2(/C=C\c1ccccc1)/C=C/c1ccccc1 963634119 JMLQOIRDZXYCPT-ADMJFTTBSA-N 411.545 5.860 0 1 HKAF CC1=C[C@@H]2Cc3[nH]c4cc(Cl)ccc4c(=NCCCN4CCCCC4)c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c1ccoc1 2356699490 VSFOZPUOGJXMFT-WTEVXDJOSA-N 402.575 5.815 0 1 HKAF CCCCCCN1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@@H](O)C[C@@H]1c1ccccc1 61923688 VZAAKSNVIDZHKA-DSITVLBTSA-N 422.548 5.014 0 3 HKAF CN(Cc1cccs1)[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 206041192 FGUMANYUOKHLDO-DDRRAVBJSA-N 422.638 5.363 0 3 HKAF CCN1CCc2c(sc(N(CC)C(=O)C(C)C)c2C(=O)c2ccccc2Cl)C1 591497 KAEPBRJMILUEMG-UHFFFAOYSA-N 418.990 5.019 0 1 HKAF Cn1c(O)c(C(=O)C[C@H](Sc2ccccc2)c2ccccc2)c(=O)c2ccccc21 3846525 BAIUTWCIEBBCRA-QFIPXVFZSA-N 415.514 5.351 0 1 HKAF biogenic CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccccc2C(=O)O)C(C)(C)CCC1 3974080 OAEICKHCODUZKG-FUQLHJDNSA-N 419.565 6.855 0 1 HKAF Fc1cc(F)cc(CO[C@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 27547690 HBEGTMOMACFCHB-SXOMAYOGSA-N 419.515 5.776 0 1 HKAF OC1(c2ccccc2)CCN([C@H](c2ccccc2)c2ccccc2Br)CC1 28708210 JTMATQKFBDAKLY-HSZRJFAPSA-N 422.366 5.522 0 1 HKAF C[C@H](Nc1cc(Nc2nccc(-c3cccc(C(=O)O)c3)n2)ccn1)c1ccccc1 29126561 ZTTUPJFWRXUMBM-INIZCTEOSA-N 411.465 5.154 0 1 HKAF C[C@H]1CCC([C@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)=NC1 40873596 BLVNKXGGFFUMSS-OSLFEGMJSA-N 413.646 5.404 0 1 HKAF Cc1ccc(I)cc1C(=O)N[C@H](C)c1cccc2ccccc12 43017733 FAPPSWGYSBFQHK-CQSZACIVSA-N 415.274 5.244 0 1 HKAF CN1CCCCCCCCCC(=O)OC[C@H]2[C@H](C[C@H]3CC[C@@H]2N3C)c2ccc1cc2 53173533 GFWKSCDPOYKBDG-NGSHPTGOSA-N 412.618 5.367 0 1 HKAF CC(C)(C)CC(C)(C)n1nnnc1CNCCC(c1ccccc1)c1ccccc1 73168593 OYHVERGBHUEVCO-UHFFFAOYSA-N 405.590 5.156 0 1 HKAF CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccccc1 82134028 FFJLCEMQXVTKEG-SFTDATJTSA-N 422.617 5.380 0 1 HKAF CC[C@H](C)Cn1c(-c2ccsc2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187274 YBELJBFKNKREHB-HNNXBMFYSA-N 409.534 5.395 0 1 HKAF CC(C)c1ccc(/C=C/C(=O)NCCCNc2ccnc3cc(Cl)ccc23)cc1 95597383 QMGSJZCSQZTFPX-IZZDOVSWSA-N 407.945 5.643 0 1 HKAF COc1cc(-c2ccc3cc(OC)ccc3c2)cc(-c2ccc3cc(OC)ccc3c2)c1 96174245 CQLYGRBBQRSEDT-UHFFFAOYSA-N 420.508 7.353 0 1 HKAF Cc1ccc(C(C)C)c(SC2=C(O)C[C@@](CCc3ccccc3)(C(C)C)OC2=O)c1 103220198 GVFPDUARCHQQKB-SANMLTNESA-N 424.606 6.955 0 1 HKAF CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1 104697262 JWMZODNQPQHEEW-OAQYLSRUSA-N 423.463 5.443 0 1 HKAF Clc1cc(-c2ccn3c(CC4CC4)nnc3c2Cl)ccc1OC1CCOCC1 143598224 LOWXUZGNQAPILA-UHFFFAOYSA-N 418.324 5.213 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-c2ncc(C)s2)c1 167266824 OTPKWVNXANCRCW-LJQANCHMSA-N 422.550 5.390 0 1 HKAF COCCOCCOC(=O)/C=C(C)/C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C 169289722 XBCAKLNKDWECFN-URUDQLGDSA-N 402.575 5.724 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(O)cc3Br)nc3ccc(O)c1c23 586983964 FDIRSHUCNPNCMH-UHFFFAOYSA-N 418.246 5.287 0 1 HKAF Cc1ccc2c3c(cc([C@H](C)c4ccccc4C(F)(F)F)nc13)-c1ccccc1C2=O 586993145 LTXUENRTYLZDTH-OAHLLOKOSA-N 417.430 6.925 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Cl)c(F)cc3[nH]1)N2 587032198 RUVSVEZIYCHURX-VYJZUSIPSA-N 422.938 5.482 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c(-c3csc4ccc(O)cc34)nc2c1 587033021 PBVXDTXRKNRWAH-UHFFFAOYSA-N 417.284 5.089 0 1 HKAF Clc1ccc(-c2cnccc2-c2nc3cc(OCc4ccccc4)ccc3[nH]2)cc1 587075379 CJIFVPFQZYRQQV-UHFFFAOYSA-N 411.892 6.524 0 1 HKAF CCCCOc1cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1Br 587081171 UCTXCUFPJNTMRT-SFHVURJKSA-N 421.722 5.834 0 1 HKAF COc1cccc(-c2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)c1 587107900 XEHSCNPANQCWED-UHFFFAOYSA-N 413.476 6.789 0 1 HKAF C[C@H](c1nc2cc3c(cc2[nH]1)OCCCO3)n1nc(C(F)F)c(Cl)c1C(F)F 587129881 NDAACEGLNWSNMD-SSDOTTSWSA-N 418.778 5.059 0 1 HKAF CNc1c(F)cccc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587135445 AUAJGKLYMQCGCO-UHFFFAOYSA-N 406.299 5.598 0 1 HKAF COc1cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1F 587158177 GPJDHYBKELIJMR-FQEVSTJZSA-N 400.812 5.672 0 1 HKAF C[C@@H](Oc1ccc(F)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587168751 LDRDMQYMLKBFDX-MRVPVSSYSA-N 403.173 5.623 0 1 HKAF O=c1c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587170501 ATRJUZSCTOKKGX-UHFFFAOYSA-N 406.219 5.465 0 1 HKAF O=c1c(-c2nc3cccc(C(F)(F)F)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587172207 ZOMUNJMRTOWISK-UHFFFAOYSA-N 405.326 5.177 0 1 HKAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(F)c(Br)c3[nH]2)c1 587240021 DYWUYJJECQOYAP-UHFFFAOYSA-N 422.254 5.184 0 1 HKAF CC(C)COc1cc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c2cc1Br 587244659 QRMPRUHBVDRZMQ-HJWRWDBZSA-N 414.303 5.012 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cc(Cl)cc(Cl)c3)cc1O)O2 587377421 IDMDISJEBGVPNK-NRFANRHFSA-N 414.288 5.963 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cc(Cl)cc(Cl)c3)cc1F)O2 587385710 PGYDJSRPKNUJFN-OAQYLSRUSA-N 416.279 6.397 0 1 HKAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cccc(C)c1 587399421 JUKWLGVBJZKHHF-HSZRJFAPSA-N 403.478 5.180 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587420133 DRIQZMOLAUPWPN-CVDCTZTESA-N 410.391 5.870 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cc(Cl)ccc4Cl)o1)[C@@H](C2)C3=O 587424140 XPURVAFMJHTYNH-LHSJRXKWSA-N 401.245 5.751 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc(Cl)c(Cl)c1)CC2=O 587463184 VXQFRHHACVQFPO-OAQYLSRUSA-N 416.304 6.149 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccc(C(=O)O)o3)cc1)CC2=O 587478124 GICIKIWAGSPLJG-DEOSSOPVSA-N 406.434 5.184 0 1 HKAF C[C@@]1(c2cc(Cl)c(N)c(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587510728 XQFPUENZWHHEDD-FQEVSTJZSA-N 409.835 5.700 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccco1)c1ccc(Cl)s1 587614092 RAALWNCUXORSLY-SIKLNZKXSA-N 424.861 5.606 0 1 HKAF Cc1c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)oc2ccccc12 587655972 JLAWKNMCOKXILC-UHFFFAOYSA-N 416.383 5.085 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccccc3Cl)no2)N1 587695353 JDXKTAUGTQICPE-GIGQVBGESA-N 421.697 5.520 0 1 HKAF Cc1cc(C(F)(F)F)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587712395 PLWKMDWGXNWERE-BTDLBPIBSA-N 402.229 5.539 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SC(F)F)cc2)N1 587720717 UHSVLVLTPLBZGQ-FVMDXXJSSA-N 402.279 5.527 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(F)cc2Cl)N1 587726799 KVHWQLAMPNCRIJ-YPMLDQLKSA-N 400.694 5.373 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccc(F)cc3)cs2)N1 587735936 RVRKWDOCTBYHLN-MLCYQJTMSA-N 421.310 5.474 0 1 HKAF Cc1cc(C)n(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)n1 587767278 XVTKFEBCEOYUKK-LAJNKCICSA-N 414.322 5.014 0 1 HKAF CCc1nc2cccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2o1 587777142 FLCKZZWTIJUAIQ-BIBXISHDSA-N 403.295 5.090 0 1 HKAF OCc1ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2c1 587784972 WXFAJDZTVMBCAJ-UHFFFAOYSA-N 420.512 5.892 0 1 HKAF COc1ccc(-c2cccc(-c3nc4c(C)c(Br)cnc4[nH]3)c2)cc1O 587786158 IWHCYCJLPUBPQH-UHFFFAOYSA-N 410.271 5.077 0 1 HKAF Cc1[nH]c2c(C)ccc(C)c2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587802131 KBGNMDRFCFDBFO-GTJPDFRWSA-N 401.323 5.618 0 1 HKAF Cc1cccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 587821380 UNVLCSWQKFARQP-NPMXOYFQSA-N 410.330 6.187 0 1 HKAF Cc1ccc(-c2nc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cs2)cc1 587853183 PKJDNXBFENMFNZ-CWTRNNRKSA-N 417.347 5.644 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2ccc(Br)cc2s1 587872836 RRKNYLAFRMFZQX-UHFFFAOYSA-N 418.291 5.449 0 1 HKAF COc1cc(O)cc(-c2cccc(-c3nc4cc(C)c(Br)cc4[nH]3)c2)c1 587931324 HDZGELVOYMRLNA-UHFFFAOYSA-N 409.283 5.682 0 1 HKAF COc1ccc(C2(c3nc4cc(Br)cc(C)c4[nH]3)CC3(CCC3)C2)cc1 587935148 GRJUDYPQPKIMOS-UHFFFAOYSA-N 411.343 5.893 0 1 HKAF Cc1c(Br)cnc2[nH]c(CCCCCCCCCCCCC(=O)O)nc12 587956653 JEDUYLCHIBBTNQ-UHFFFAOYSA-N 424.383 5.947 0 1 HKAF CC(C)COc1cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2cc1Br 587964773 HUIFPRGKMVYYCA-UHFFFAOYSA-N 415.375 6.200 0 1 HKAF CC(C)[C@@]1(c2ccc([C@@H](C)C(=O)O)cc2)c2ccsc2CCN1Cc1cccn1C 962369448 DGSUCDJKILWXOE-IQGLISFBSA-N 422.594 5.233 0 1 HKAF CC(=O)Oc1cccc([C@@]2(c3ccc(C)cc3)c3ccc(F)cc3C[C@H]3CCCN32)c1 963119011 YLNIHAFXHQIKJF-SQHAQQRYSA-N 415.508 5.372 0 1 HKAF Cc1cccc(C)c1[C@]1(C2CC2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963189478 WTRAFYZZFHUDSX-WIYYLYMNSA-N 423.862 5.228 0 1 HKAF COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(-c4csc(C)n4)c(C(C)C)cc3CC[C@H]21 1857616879 CVFGJZXQYUFPOH-QLBJFCOMSA-N 411.611 6.425 0 1 HKAF CSc1ccc(/C=C2/C(C)=C(CC(=O)NCc3ccco3)c3cc(F)ccc32)cc1 1857743799 OBWQPDPDZFALMM-UUYOSTAYSA-N 419.521 6.175 0 1 HKAF CC(=CC[C@@H]1OC(=O)C=C1C)CC[C@H]1[C@@]2(C)CCC[C@](C)(C(=O)O)[C@H]2CC[C@@]1(C)O 2356458190 IYKWRWFFFLJWCZ-GWSRRZGTSA-N 418.574 5.033 0 1 HKAF C[C@]12CCCC[C@@H]1C[C@@H]1NCCCN[C@@H]3C[C@]4(C)CCCC[C@]4(C)[C@H]3C=CC=C[C@H]12 2356790395 FNBRMVQUZZRHIE-NYGLAYLWSA-N 410.690 6.242 0 1 HKAF CC(C)=CCC(C)=CCC(C)=CCC(C)=CCC[C@@]1(C)CCc2cc(O)ccc2O1 2356860102 UBTGRYXFAVSNTF-NDEPHWFRSA-N 408.626 8.232 0 1 HKAF COc1ccccc1CNC(=O)c1c(-c2ccccc2F)noc1-c1ccccc1 775298 PDKUCYWOHXSBMZ-UHFFFAOYSA-N 402.425 5.086 0 1 HKAF CCCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(F)cc1Cl 2481162 XFZQBBKXCUOPMX-UHFFFAOYSA-N 407.272 5.984 0 1 HKAF O=c1cc(NC[C@H]2CCC[C@H]2NCc2ccc(Cl)c(Cl)c2)[nH]c2ccccc12 3923740 GQAWHFHCJXEXAJ-DNVCBOLYSA-N 416.352 5.205 0 1 HKAF CC(=O)CCCC12CCC(c3nnc(-c4ccccc4C(F)(F)F)n3C)(CC1)CC2 3960658 JRXYXRZPMZCAIV-UHFFFAOYSA-N 419.491 5.852 0 1 HKAF C[C@H]1CCC[C@@H](C)N1CCCCCN1C(=O)[C@@H](c2ccccc2)Oc2ccccc21 13834482 BWAAOARPNKBGHD-TYBLODHISA-N 406.570 5.587 0 1 HKAF COc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc(SC)cc2)cc1 27199023 ZSDJRKOHSFGAAQ-JWQCQUIFSA-N 417.574 6.144 0 1 HKAF Cc1cc(CCCCCOc2c(Cl)cc(-c3nc(C)c(C)o3)cc2Cl)on1 27523830 KHKYMFCWPBMGMT-UHFFFAOYSA-N 409.313 6.353 0 1 HKAF Cc1ccccc1OCc1sc2ccccc2c1CCN1CCC(N(C)C)CC1 27524780 YYEIVULPNLLUHN-UHFFFAOYSA-N 408.611 5.357 0 1 HKAF CCN(CC)CCC[C@H](C)Nc1nc(CCCc2ccccc2)nc2ccccc12 28477525 SXEHJDDWYPCNHZ-NRFANRHFSA-N 404.602 5.728 0 1 HKAF CCN(CC)CCC[C@@H](C)Nc1ccnc(OCc2ccc(Cl)cc2Cl)n1 28521252 FIEYDSBFYWCKJU-OAHLLOKOSA-N 411.377 5.285 0 1 HKAF CC[C@]1(C[C@@](O)(Cc2cc3ccncc3[nH]2)C(F)(F)F)CCCc2ccccc21 28826155 LKWHUBUSWATGLU-YADHBBJMSA-N 402.460 5.473 0 1 HKAF CSc1ccc(C2=C(c3ccc(Br)cc3)C(=O)N3CCC[C@H]3C2)cc1 29406887 IYRROGWZCATDDC-KRWDZBQOSA-N 414.368 5.477 0 1 HKAF COc1cccc2c1C[C@@H](N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 34576175 JBNQPDCVQXSXPZ-HXUWFJFHSA-N 408.517 5.106 0 1 HKAF in-vitro CCC/C=C/C[C@@H]1C/C=C/C=C(C)/C=C/C=C\[C@H](O)[C@H](O)/C=C(C)/C=C/C=C/C(=O)N1 43219821 ALYLZDHKQZUVDF-HAPNMQORSA-N 423.597 5.017 0 1 HKAF in-vivo CSC1=NC(C)(C)C[C@@]2(C[C@H](c3cccc(C)c3)c3cc(Cl)c(O)cc3O2)N1 45227022 UQTFFSLIGIXBRT-ZHRRBRCNSA-N 416.974 5.456 0 1 HKAF COc1ccc(-c2ccc(C(=O)N[C@H](CCN(C)C)c3ccc(C)cc3)cc2)cc1 45289984 SYSFFUSTUVVEJW-RUZDIDTESA-N 402.538 5.093 0 1 HKAF CS[C@@H](Cc1ccc2oc(Cc3nc(-c4ccccc4)oc3C)cc2c1)C(=O)O 49882020 NMOIBKUIOABAAW-NRFANRHFSA-N 407.491 5.346 0 1 HKAF CCOC(=O)c1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)c(C)s1 58590613 ALDHOZSWMAOQGQ-UHFFFAOYSA-N 407.413 5.861 0 1 HKAF Oc1ccc(Br)cc1-c1cc(Br)cc(Br)c1O 66252056 KLKDPRUXCGOLFU-UHFFFAOYSA-N 422.898 5.052 0 1 HKAF biogenic C[C@@]1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccc(Cl)cc2)C1=O 72105548 RBIWLKASEDRUNU-QFIPXVFZSA-N 408.841 5.353 0 1 HKAF O=C1O[C@@](CC2CCCC2)(c2ccccc2)CC(O)=C1SCCc1ccccc1 100364018 VOZIWYDWVRAMSF-RUZDIDTESA-N 408.563 6.155 0 1 HKAF Cc1cc(N)c2cc(NC(=O)c3cccc(-c4cccc5ncccc45)c3)ccc2n1 103236397 OZSUUDMPEBQBRO-UHFFFAOYSA-N 404.473 5.593 0 1 HKAF CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccccc2C)C2=C(O)CC(C)(C)CC2=N1 104004290 BQKHXYBNCWIYFP-JOCHJYFZSA-N 401.510 5.473 0 1 HKAF OC1=C2C(=Nc3nc(SCc4ccccc4Cl)nn3[C@@H]2c2ccncc2)CCC1 104056700 NJIOEZURUNEBND-LJQANCHMSA-N 423.929 5.290 0 1 HKAF CC/C(=C(/c1csc(/C=C/C(=O)O)c1)c1ccc2[nH]ncc2c1)c1ccccc1 114607571 HWSNOZGVCZQWKD-TWLOCDASSA-N 400.503 6.091 0 1 HKAF CCc1ccc(Nc2nc3cc(Oc4ccnc(NC(C)=O)c4)ccc3n2C)cc1 167325347 ZVLQDFZYWZFDCF-UHFFFAOYSA-N 401.470 5.025 0 1 HKAF O=C(N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1)C1CCC1 169711126 XXUXRIDSKSDOGY-IQGASKDCSA-N 408.586 5.477 0 1 HKAF CC1=CCC[C@](C)(CC[C@]2(C)C(C)=CCC[C@@H]2C)O[C@@H]1[C@@H](O)c1cc(O)ccc1O 199908404 NSUMOOGGTKRLQO-YZKDDNBGSA-N 414.586 6.178 0 1 HKAF COc1ccccc1Cc1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1 205321227 YFRRJMJGLUPHQJ-UHFFFAOYSA-N 418.924 5.393 0 1 HKAF CNC(=O)/C=C/c1ccc(Oc2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc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endogenous,in-man COc1cccc(-c2cc(=O)c3cc(Cl)cc(NCc4ccccc4)c3o2)c1N 299833304 RMDVANNMKCOFKB-UHFFFAOYSA-N 406.869 5.316 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3nc(C)c(Br)cc3[nH]2)cc1 586878331 DAUSOOBBSXYLRZ-UHFFFAOYSA-N 422.282 5.369 0 1 HKAF CC(C)(Oc1ccc(Br)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 586997366 WGYGYBMUJHLSLJ-UHFFFAOYSA-N 400.198 5.053 0 1 HKAF FC(F)(F)c1cc2nc([C@H]3SCCc4sccc43)[nH]c2cc1Br 587037700 WZTODNQVEJENFK-ZDUSSCGKSA-N 419.291 5.784 0 1 HKAF CN(C)C(=O)c1ccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2c1 587050324 OIHKSRHLBDDWFA-UHFFFAOYSA-N 403.869 5.065 0 1 HKAF Clc1cccc(/C=C/c2nc3cc(I)cnc3[nH]2)c1Cl 587054206 MYPFDZZGUQQMME-SNAWJCMRSA-N 416.049 5.040 0 1 HKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(Br)c(F)ccc2[nH]1 587065963 AYKFODWOMSEPIF-UHFFFAOYSA-N 404.670 5.884 0 1 HKAF Clc1ccc(CC/C(=C/c2nc3ccc4c(c3[nH]2)CCCC4)c2ccccc2)cc1 587073021 CUJYCDOBIMFLKY-PYCFMQQDSA-N 412.964 7.269 0 1 HKAF Cc1c(-c2nc3cc(Cl)cc(Br)c3[nH]2)cnn1-c1ccc(Cl)cc1 587075201 GLTNLWSTUCYXBW-UHFFFAOYSA-N 422.113 5.793 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2F)c1 587143479 UXFMYMVZVNEMKE-UHFFFAOYSA-N 421.686 7.005 0 1 HKAF CC(C)CCOc1cc2[nH]c(-c3ccc(CN=O)cc3)nc2cc1Br 587190784 RBDGDYXLLKIMPV-UHFFFAOYSA-N 402.292 5.684 0 1 HKAF Oc1ccccc1[C@H](c1ccccc1)c1c(-c2ccccc2)nc2cccc3c2c1CC3 587215624 KKPWIUGOYSMEKW-NDEPHWFRSA-N 413.520 6.886 0 1 HKAF CC(C)(c1ccc(F)cc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332102 IWDWNVROJGBUJZ-RDGATRHJSA-N 408.444 5.766 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2Cc2ccccc2)[C@@H]1c1ccc(F)cc1 587351734 GZNMJGNFAVCRQH-OXTYCOSGSA-N 402.465 5.672 0 1 HKAF COc1ccc([C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587355241 WXKDWAFYWUQOIW-UKILVPOCSA-N 404.437 5.204 0 1 HKAF CCCCc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587356303 PWZKQCLVROFWNF-AZGAKELHSA-N 404.481 6.148 0 1 HKAF COc1cccc(-c2cc(-c3nn(C(C)(C)C)cc3O)nc3c2oc2ccccc23)c1 587362854 JAAWGZRXTJNKPF-UHFFFAOYSA-N 413.477 5.981 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](c2ccccc2)CCC3)c1 587367499 SIRAZBNJAXIYCN-FQEVSTJZSA-N 419.524 7.319 0 1 HKAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cccc(C)c1 587398274 DHFHFSHJFLPAIZ-XMMPIXPASA-N 417.505 5.570 0 1 HKAF CCCCC[C@@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421012 YXRFBOGYNBSFEU-GCJKJVERSA-N 415.327 5.681 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1sc(Nc4cc(C)ccc4C)nc1C)[C@@H](C2)C3=O 587453666 XYVZHJTYGQDUMN-BXKMTCNYSA-N 420.534 5.483 0 1 HKAF CCCc1c(O)ccc2c1O[C@](COCc1ccccc1)(c1ccc(F)cc1)CC2=O 587467830 SRJVRJCGUGGTGE-AREMUKBSSA-N 420.480 5.561 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(F)cc3)[nH]c3ccccc13)CC2=O 587472798 VGAGGZKJSBAYJT-QHCPKHFHSA-N 415.464 6.339 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-c3ccccc3C(=O)O)c1)CC2=O 587490032 QCMUTUJLHKWFAI-AREMUKBSSA-N 416.473 5.591 0 1 HKAF O=C1C[C@H](c2ccccc2-c2ccc(Cl)c(F)c2)Oc2c1ccc1c2CCCC1 587509251 XVNPJLSHEGIHEH-XMMPIXPASA-N 406.884 6.731 0 1 HKAF COc1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1OC 587521176 BFVDAHROFUUISU-RUZDIDTESA-N 414.501 5.956 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCNc1cc3ccccc3cc12 587591563 CUKXEULRFSCPCR-JYFHCDHNSA-N 409.441 5.218 0 1 HKAF CCCc1ccc(OCC)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587594380 HCPREMOVUGYQRQ-WIOPSUGQSA-N 404.462 5.446 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]2CCc1ccccc1 587602225 GTYKAKZAIHJMDY-CZZAQMAHSA-N 400.474 5.526 0 1 HKAF C[C@@]1(c2ccc3c(c2)-c2ccccc2C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603425 OKHZEPYFBYKIPC-LSYYVWMOSA-N 420.464 5.840 0 1 HKAF Fc1ccc2c(Nc3ccc(Cl)cc3)c(-c3ccc(Br)cc3)[nH]c2c1 587632094 FOUBNOKABOVZNP-UHFFFAOYSA-N 415.693 7.134 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(F)c2)(C(F)(F)F)N1 587708783 DMWGGPOMOMTSID-FVMDXXJSSA-N 406.192 5.067 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)c(F)c2)N1 587714130 VAKXXUGSGQABCG-VVVCHXIZSA-N 420.219 5.544 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1OC(F)F 587719848 RKIGHOGSEKYBLU-APPDUMDISA-N 414.265 5.430 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(F)c2)N1 587724217 GBZFXIIGXNBBKO-PWJLMRLQSA-N 417.091 5.113 0 1 HKAF CC(C)[C@]1(c2cccc(Cl)c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587726381 WZUAGYAFHPKOAW-NSPYISDASA-N 414.721 5.815 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(C3CCCCC3)nc2)N1 587776065 VXEFYSXLAQJINM-BLVKFPJESA-N 404.327 5.050 0 1 HKAF CC(C)=CCC/C(C)=C/CC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587810976 FHIMRZQFRRNVQG-NJQVJVQRSA-N 408.399 6.811 0 1 HKAF CCCCc1oc2ccccc2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587831411 WNLXYXGCOKLYFP-XMHCIUCPSA-N 416.334 6.301 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nc2ccccc2s1 587861866 XCRWOUCOVHTALS-UHFFFAOYSA-N 418.305 5.554 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1c(Cl)cc(Cl)cc1Cl 587866873 LNXLSSWRPSXHPY-UHFFFAOYSA-N 422.621 5.922 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1ccc(Cl)cc1Cl 587873283 XGFRMQHRMBCMKA-UHFFFAOYSA-N 410.301 5.640 0 1 HKAF O=C(Nc1ccccc1)c1cnn(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1 621476426 UMTLPJKYDFYNPV-UHFFFAOYSA-N 413.321 5.221 0 1 HKAF O=C(COc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1cccc(C(F)(F)F)c1 653729269 VVVWMIWYWNJFFF-UHFFFAOYSA-N 416.273 5.092 0 1 HKAF Cc1ccc(-c2cccc([C@@]3(C)NCCc4cccc(-c5ccccc5)c43)c2)cc1Cl 962665324 KCEIZWOYJULJMZ-GDLZYMKVSA-N 423.987 7.392 0 1 HKAF CC[C@@H](c1ccc(OC)cc1OC)[C@]1(CC)NCCc2cc(-c3ccccc3)ccc21 962667908 WYJCOPFDMGDKCO-LSYYVWMOSA-N 415.577 6.316 0 1 HKAF Cc1ccnc2c1CCN[C@]2(c1cc(Cl)cc(Cl)c1)c1ccccc1Cl 963065549 FHGRUKMNAOJTCB-OAQYLSRUSA-N 403.740 5.788 0 1 HKAF COc1ccccc1-c1nn(-c2ccccc2)cc1[C@@H]1NCCc2cccc(Cl)c21 963390431 JJQHBUVYLVCFMW-VWLOTQADSA-N 415.924 5.436 0 1 HKAF Cc1nn(Cc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2)c(C)c1CC(=O)O 1772637942 KOIBIADLGRZWDP-UHFFFAOYSA-N 416.525 5.016 0 1 HKAF Cc1ccc(C(=O)NC[C@]2(C)CCC[C@]3(C)c4cc(O)c(C(C)C)cc4CC[C@H]32)cc1 1857770484 RGYJVMVPKRQBJB-RZDMPUFOSA-N 419.609 6.264 0 1 HKAF CN1c2cc(C(F)(F)F)ccc2CC12CCN(CC1CCC(F)(F)CC1)CC2 1911573977 CRUYWWLMGVNASM-UHFFFAOYSA-N 402.451 5.358 0 1 HKAF C[C@H](CO)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2356307227 PNSWSBWRTBNWNG-JQICGFLJSA-N 402.707 7.716 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C)C(C)C 2356501357 WPBKHQNOGAVHPB-GKHPXIIASA-N 412.702 7.945 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356558074 LGJMUZUPVCAVPU-IUMWASOSSA-N 416.734 8.105 0 1 HKAF CC(=CC=C[C@H](C)C[C@@H]1OC(=O)C(C)=C1O)CCC[C@@H](C)CCCc1ccoc1 2356573992 JIGKBJFCEWMJSB-QTEQDKRBSA-N 400.559 6.695 0 1 HKAF C[C@@H]1C2=CC[C@@H]3[C@](C)(CC[C@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]34C)[C@H]2CC[C@H]1O 2356631795 OLWSWWUSGLHFEB-YVSGKNIZSA-N 412.702 7.779 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@]4(O)OC(=O)C[C@]4(C)[C@@H]3CC[C@@]12C)C(C)C 2356721660 LJBNXGCIASRMAO-CZNNEYOPSA-N 416.646 6.499 0 1 HKAF CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccccc2)cc1 4050620 MRCVHRWLMIBMDA-ILBGXUMGSA-N 412.533 5.392 0 1 HKAF CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 4055506 CMQMUMGUIKCFGB-GMAHTHKFSA-N 406.913 5.501 0 1 HKAF O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1Br)c1ccccc1 13704389 PGPHNYCJPOMWJK-UHFFFAOYSA-N 418.294 5.554 0 1 HKAF Cn1cc(C(c2cn(C)c3ccccc23)c2cn(C)c3ccccc23)c2ccccc21 14822139 MAKKVHKZOSXXNM-UHFFFAOYSA-N 403.529 6.342 0 1 HKAF biogenic CC(=O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 26945947 DPEWMPCNBSTAJO-UHFFFAOYSA-N 406.938 6.233 0 1 HKAF O=C(O)C[C@@H]1CCn2c1c(Sc1ccc(Cl)cc1)c1c(C3CC3)cc(F)cc12 29053639 MZGKUPAFPZOGKG-ZDUSSCGKSA-N 415.917 6.424 0 1 HKAF CC(=O)Oc1ccc2c(C)cc(=O)oc2c1Cc1c(-c2ccccc2)[nH]c2ccccc12 29062275 QPTPYDZDSNSZMQ-UHFFFAOYSA-N 423.468 5.766 0 1 HKAF Cc1c(Cl)cccc1S(=O)(=O)Nc1sccc1-c1nc2ccccc2s1 43023941 PDGGESPAUHFTED-UHFFFAOYSA-N 420.968 5.787 0 1 HKAF O=C(CSc1nc2ccccc2[nH]1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 43120514 DTJJJWRYNITGPM-QFIPXVFZSA-N 412.518 5.033 0 1 HKAF Nc1cccc(CNCc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)c1 45210172 IDFAMBLSPGOTPE-UHFFFAOYSA-N 404.517 5.769 0 1 HKAF CCN(C(=O)c1cccc(C(F)(F)F)c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 49071831 KYOBQPFVSRQWCJ-HNNXBMFYSA-N 414.431 5.335 0 1 HKAF CCC[C@@H]1C[C@@H](CCc2ccc(O)c(OC)c2)O[C@H](/C=C(/C)CCC=C(C)C)O1 59588614 WJMAMCWCNHAOTC-GHLZWAJWSA-N 402.575 6.326 0 1 HKAF biogenic,in-vitro COc1ccc(CN2CCC(=O)[C@@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc1 72106242 XCGYLXRRLOUNQC-DEOSSOPVSA-N 421.487 5.197 0 1 HKAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1C[C@@H](F)CN1C(=O)c1cncs1 72176696 OBUVCWPZKZGURL-QAPCUYQASA-N 401.894 5.092 0 1 HKAF Cc1cnc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccc(-c3ccccc3)cc2)o1 82176363 CYJMTRORYIIMNU-HOYKHHGWSA-N 424.548 6.765 0 1 HKAF O=C(c1cncnc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccccc21 95571617 FGKIZYHSOOCLGM-UHFFFAOYSA-N 400.265 5.169 0 1 HKAF CC1=C2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@@]2(C)CC[C@H]1C 100823684 LGVXVLHBYPSFGC-PCIAXIAZSA-N 424.713 8.089 0 1 HKAF endogenous,in-man Cc1ccc(-c2c([C@H](OC(C)(C)C)C(=O)O)c(C)nc3sc4c(c23)CCCC4)cn1 113125552 ZPVZMJDEABMWMW-NRFANRHFSA-N 424.566 5.795 0 1 HKAF Cc1cc(C(=O)O)c2[nH]c(-c3c(F)c(F)c(-c4cccc(F)c4)c(F)c3F)nc2c1 168709407 LCEPPGQJYNTMJZ-UHFFFAOYSA-N 418.321 5.599 0 1 HKAF C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2CC[C@H](OC(=O)C=C(C)C)[C@H](C)[C@@]12C 238761709 UYCYCVGKTVFCMC-CRTBRPCNSA-N 414.542 5.625 0 1 HKAF COc1cc(Cn2c3ccccc3c3cc(C)c(O)cc32)cc2c1[nH]c1ccccc12 473150558 MJDYWDBSCYNOTB-UHFFFAOYSA-N 406.485 6.500 0 1 HKAF N[C@@H](N=O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1 586975626 OJWQKRKDAROJDM-ZDUSSCGKSA-N 400.063 5.023 0 1 HKAF Cc1ccc2c3c(cc(C(=O)c4cc(Cl)cc(Cl)c4)nc13)-c1ccccc1C2=O 586993709 PTPHNDRAMHTNHL-UHFFFAOYSA-N 418.279 6.292 0 1 HKAF CC(C)COc1cc2nc([C@@H]3SCCc4sccc43)[nH]c2cc1Br 587036511 DEJSPIDKJZUEJS-QGZVFWFLSA-N 423.401 5.800 0 1 HKAF Cc1cc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c2cc1Br 587050233 GKJFQDCUENSIDO-UHFFFAOYSA-N 406.711 5.549 0 1 HKAF COc1cc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1F 587071369 KMJLXRQFWRPOOL-RCHFCYBDSA-N 405.300 6.384 0 1 HKAF CC(C)(C)c1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587109859 KWAWAKBQXPQXDS-UHFFFAOYSA-N 400.366 6.489 0 1 HKAF c1ccc(CN(Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)c2ccccc2)cc1 587196690 VJVJJLYQMVCMAY-UHFFFAOYSA-N 405.501 6.562 0 1 HKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(Br)c(O)c2[nH]1 587246575 CJWQNOZMOCASNL-UHFFFAOYSA-N 424.298 5.446 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(O)cc(OC)cc2C3)c1 587363404 SPEUZQMECSSXMC-UHFFFAOYSA-N 409.441 5.942 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccc(Br)c3)s1)O2 587409068 GASTYDWOMIZUOA-KRWDZBQOSA-N 414.324 5.775 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccccc4Cl)cc1)[C@@H](C2)C3=O 587421068 RUQWNLFHTFPLQW-CYFREDJKSA-N 406.865 5.416 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4cccc(Cl)c4)cc1)[C@@H](C2)C3=O 587422171 XDBGPISNTZIGMP-RDPSFJRHSA-N 406.865 5.416 0 1 HKAF CCCOc1cc(Br)ccc1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587457566 KMVFYKGVWPTWCC-HXUWFJFHSA-N 419.315 5.603 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1c1cccc(C(F)(F)F)c1)CC2=O 587463815 CJVCMNJNGKFAQU-XMSQKQJNSA-N 404.428 6.035 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1SC)CC2=O 587493954 UWHSMFXQJBUWFZ-KRWDZBQOSA-N 407.329 5.536 0 1 HKAF COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Br 587499808 PGLCJLDGWDWFOY-OAQYLSRUSA-N 401.300 5.217 0 1 HKAF O=C1C[C@@H](c2cnn(-c3ccc(C(F)(F)F)cc3)c2)Oc2c1ccc1c2CCCC1 587507710 NZYFAWOPNUOJSM-NRFANRHFSA-N 412.411 5.476 0 1 HKAF CCCc1ccc([C@]2(CCCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587529927 SFMDTEMFWMMGRY-SANMLTNESA-N 406.522 5.634 0 1 HKAF Cn1nc(-c2ccccc2)c2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)sc21 587538976 SYPMDXVDEFGFAV-NRFANRHFSA-N 414.530 5.887 0 1 HKAF Cc1ccc(C2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587600639 BOJVWKFZJNTOPN-VWLOTQADSA-N 422.480 5.914 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(Cl)ccc3Cl)c(C(=O)C(F)(F)F)c2c1 587642433 RYUJZSKTZPCZLX-SNVBAGLBSA-N 414.254 7.400 0 1 HKAF Cc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587675585 AFSXBFMADSXUJW-QGHHPUGFSA-N 413.128 5.283 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2Br)N1 587677320 KFGCJLWSTDKPLT-QGHHPUGFSA-N 413.128 5.148 0 1 HKAF COc1cc(Cl)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587691007 AZNJBXZGOKYQCS-RBHXEPJQSA-N 419.121 5.527 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cccc2N2CCCC2)N1 587695804 SDSXGISFRPQENX-MPBGBICISA-N 423.757 5.465 0 1 HKAF Cc1cc(Cl)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1Cl 587695921 SNHUGUFOWPPURT-XLFHBGCDSA-N 403.122 5.827 0 1 HKAF CCOc1ccc(Cl)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587696010 KLFQKAITIFONDY-NSPYISDASA-N 412.730 5.438 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(C(F)(F)F)c2F)N1 587713585 SSDOBJGUGJPPAZ-HUTHGQBESA-N 420.219 5.544 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(C3CCC3)c2F)N1 587730095 WTBVNFXMVMUROA-XUSGNXJCSA-N 406.314 5.793 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)[C@@]1(CCC3)N[C@@H](C)Cc2ccc(F)c(Br)c21 587805342 TUTTVBWTONUHME-XMHCIUCPSA-N 413.334 5.492 0 1 HKAF CC(=O)c1c(C)cc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587814737 IRHPCADCMLYGEW-GTJPDFRWSA-N 404.323 5.340 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Nc1ccc(N(C)C)cc1 587860467 UVNHNRNZJKINPC-UHFFFAOYSA-N 419.312 5.402 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccc(-c2cccs2)n1 587861799 VTDSKWMWJJIANW-UHFFFAOYSA-N 417.321 5.763 0 1 HKAF Cc1ccc([C@]2(c3ccccc3Br)NCCc3ccc(F)c(C)c32)cn1 962298531 MPTPAWFRWFOPGJ-JOCHJYFZSA-N 411.318 5.038 0 1 HKAF CC[C@H](c1cccc(OC)c1)[C@]1(CC)c2ccsc2CCN1Cc1cccn1C 962378269 YFVLKCYEKPKGKL-RCZVLFRGSA-N 408.611 5.953 0 1 HKAF Cc1ccc([C@]2(CC(=O)C(F)(F)F)NCCc3c(Cl)cc(Cl)cc32)cc1C 963099527 AMNSXHSBKYCOOW-IBGZPJMESA-N 416.270 5.521 0 1 HKAF CCCCOc1ccc(Br)cc1[C@H]1c2c(F)cccc2C[C@@H]2CCCN21 963109736 PWNHATPIBHZAKZ-JTSKRJEESA-N 418.350 5.877 0 1 HKAF CC(C)(C)c1ccc2[nH]c(C(C)(C)C)c([C@H]3NCCc4c(C(=O)O)cccc43)c2c1 963129552 GZCCTZZQSOCFAA-QFIPXVFZSA-N 404.554 5.696 0 1 HKAF COc1ccc2nc(-c3ccc(Cl)cc3)c(-c3ccc([S@@](C)=O)cc3)nc2c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c1ccoc1)CCC[C@@H](C)C=C1OC(=O)C(C)=C1O 2356532080 QFBUNOKEKXMSCV-KBMIEXCESA-N 416.558 6.159 0 1 HKAF C[C@@H]1c2nc(CSc3ccccc3)sc2C[C@@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12 2356619568 KJMYEPALBFHMKS-IJCCVHMNSA-N 413.608 5.689 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356672938 CKGXQXQXIGPTGU-VBYSWRRDSA-N 412.746 9.300 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1[C@@]1(C)CC(c2cccc(Cl)c2)=NO1 15937327 UAPMYHCNTUZWPA-HXUWFJFHSA-N 403.334 6.465 0 3 HKAF CCOc1cccc(-c2onc(-c3ccccc3Cl)c2C(=O)NC2CCCCC2)c1 2481191 YVORTDYOUOLPAZ-UHFFFAOYSA-N 424.928 6.123 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccccc2)O[C@H](C)[C@@H](C)O1 3781698 LUBRBIXAPOXZGB-RTBURBONSA-N 410.558 5.732 0 1 HKAF CC(C)C1=C(c2c[nH]c3ccccc23)[C@@H]2[C@H](C)CC[C@@]3(C)[C@H](C)CC[C@H](O)[C@@]23CC1 6031156 LXZADDNPPHIYMD-QQVIWQHHSA-N 405.626 7.201 0 1 HKAF C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3cccc(Cc4ccccc4)n3)[C@H]12 13673141 NCAYYLYJZJAIJB-QGQOSMOKSA-N 401.550 5.690 0 1 HKAF CCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1 13673607 NJPIJBWGCOBYBH-UHFFFAOYSA-N 403.511 5.455 0 1 HKAF O[C@@](Cn1cnc2ccccc21)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 26942351 XQJUXZOQLLZSGL-AREMUKBSSA-N 409.464 5.174 0 1 HKAF CC[C@@H](C)Nc1nc2ccc(-c3c(-c4ccccc4F)nn(CC)c3N)cc2s1 29041817 ZYWYFPHJNUBCCE-CYBMUJFWSA-N 409.534 5.778 0 1 HKAF CC(C)(Cc1ccccc1)[C@H]1OC[C@@H](C/C=C\CCC(=O)O)[C@H](c2cccnc2)O1 36242580 XYUJBPXTBCBGMX-NPNJEGMISA-N 409.526 5.192 0 1 HKAF Cc1ccc(C2(N3CCC4(CC3)C(=O)NC[C@@H]4c3ccc(F)cc3)CCCCC2)cc1 38147570 HOSBRYYPJMPNCU-XMMPIXPASA-N 420.572 5.289 0 1 HKAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2c(C)cccc2[nH]1)C(F)(F)F 38389260 SMYUZCJLGBMSME-QFIPXVFZSA-N 423.450 5.828 0 1 HKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)C[C@H]2C1=CCN(Cc2ccccc2)CC1 45188362 OOLLOOHDCMRLFA-DEOSSOPVSA-N 419.609 6.602 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1C[C@@H](O)C2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 45373829 MMVSNLKSAHIETF-IBJCVOCSSA-N 408.626 6.430 0 1 HKAF COc1ccc(-c2ccc3c(c2)[C@H]2C[C@@H]3CCN2S(=O)(=O)c2ccccc2C)cc1 61942358 FAGXYHJDLFIJSU-GBXCKJPGSA-N 419.546 5.294 0 1 HKAF O=C(c1cccc(Cl)c1Cl)c1nc(CN2CCC(F)(F)CC2)c2ccccn12 71330052 SCAJGFRGQJAWBD-UHFFFAOYSA-N 424.278 5.103 0 1 HKAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NCc2ccccc2)nc1-c1ccc(F)cc1 82139404 MENUSXUKUJQSLW-VGSWGCGISA-N 418.516 5.203 0 1 HKAF CCc1cnc(-c2cnc(NCCOC)nc2-c2ccc(-c3ccccc3)cc2)s1 82176960 RKFGMEFTOFXCCO-UHFFFAOYSA-N 416.550 5.555 0 1 HKAF CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2ccc(C)cc2)C2=C(O)CC(C)(C)CC2=N1 104701113 RLUPSYLSIJBVFM-QHCPKHFHSA-N 415.537 5.781 0 1 HKAF CCN(CC)CCOc1ccc2c(c1)C(C)(C)c1c(c3ccc(C)cc3n1C)C2=O 114803619 SODPMSLYHFIVQC-UHFFFAOYSA-N 404.554 5.078 0 1 HKAF CCCCCCCCS(=O)(=O)Nc1ccc(-c2ccccc2OC)cc1C(=O)O 143746316 XJPWCEFMNUMQCM-UHFFFAOYSA-N 419.543 5.163 0 1 HKAF Cc1ccc(-c2c(CN)c(CC(C)C)nc3ccc(OCCCC(=O)O)cc23)cc1 149867393 RTZQTNVCGRWCFZ-UHFFFAOYSA-N 406.526 5.111 0 1 HKAF FC(F)n1c2ccccc2c2cc(CCOc3ncccc3-c3cncnc3)cnc21 169337418 JFSHMCVQFGKMLC-UHFFFAOYSA-N 417.419 5.058 0 1 HKAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@H]1CC[C@@H]2C(=O)n1ccc2ccccc21 253637140 ZKJLGJLBCWOCRC-MBNSTUCPSA-N 416.565 5.195 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 255201099 BVVFRHKBULZQCQ-JHSSYLCCSA-N 414.718 8.313 0 1 HKAF CC(=O)[C@@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C 255205328 DCBAVUVLEYSTPU-RWRWHMSNSA-N 412.702 8.067 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]45C[C@@H](O)CC[C@]4(C5)C3=CC[C@]12C 255287117 ZIHOVBDAEZEART-KVRORNPESA-N 412.702 7.779 0 1 HKAF Cc1ccc(CNc2cccc(-c3cc(N[C@H]4CC[C@H](N)CC4)ncc3Cl)n2)cc1 261186707 XQOWKYSWSFFZHH-WGSAOQKQSA-N 421.976 5.399 0 1 HKAF CCS(=O)(=O)c1ccccc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586922483 OYKILYZWDCGGOW-UHFFFAOYSA-N 422.350 5.061 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(Br)nc4)nc13)-c1ccccc1C2=O 586994119 VIWZXXDCFBIILJ-UHFFFAOYSA-N 401.263 5.579 0 1 HKAF FC(F)(F)Sc1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1 587017658 OJILRTWQCPNFBH-UHFFFAOYSA-N 412.849 6.014 0 1 HKAF Fc1c(Br)ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587047698 APAJHYAYDNOMKM-YUMQZZPRSA-N 400.078 6.042 0 1 HKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(Br)cc(Cl)cc2[nH]1 587066026 FFTIHBRDNONYGM-UHFFFAOYSA-N 421.125 6.398 0 1 HKAF FC(F)(F)[C@H]1C[C@@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587093930 VBHVPHUKAQGMDL-RYUDHWBXSA-N 411.221 5.570 0 1 HKAF CCN(CC)C(=O)Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587102871 AJOOSHSFUPDZCP-UHFFFAOYSA-N 421.500 5.987 0 1 HKAF CCCCOc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1OC 587107133 PPLMPBUDNRNUII-UHFFFAOYSA-N 409.485 6.301 0 1 HKAF FC(F)(F)c1cc(CCc2nc3ccc4ncccc4c3[nH]2)cc(C(F)(F)F)c1 587111622 PSTBGZPKDUIBRW-UHFFFAOYSA-N 409.333 5.934 0 1 HKAF Cc1cc(-c2nc3cc(OC(C)C)ccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145018 QOHLWYVLPPQVAJ-UHFFFAOYSA-N 404.441 5.830 0 1 HKAF CC(C)[C@@]1(CCc2cccc(N)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341009 XKQPKWRJBIILIS-AZGAKELHSA-N 419.496 5.500 0 1 HKAF Cc1oc2ccc(O)cc2c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356714 QXOVEQWPSGOEPZ-ILBGXUMGSA-N 418.420 5.566 0 1 HKAF COc1cccc(-c2cc(CC(=O)OCc3ccccc3)nc3c2oc2ccccc23)c1 587361777 AKBBYQJNGRMLAV-UHFFFAOYSA-N 423.468 5.943 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(C(C)(C)C)[nH]c4ccc(C(C)C)cc14)[C@@H](C2)C3=O 587437094 DAEFSQPKJIUHGQ-UUOWRZLLSA-N 403.522 6.086 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)CC2=O 587467633 FWSCSLRTXDTSHM-AREMUKBSSA-N 415.533 6.078 0 1 HKAF COc1ccc(Br)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587495530 CTCYUNCTEHLCBL-OAQYLSRUSA-N 401.300 5.217 0 1 HKAF C[C@@]1(c2ccc(OC[C@H]3CCCCO3)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587509168 XLAHAQOGNALNJL-BCHFMIIMSA-N 424.512 5.533 0 1 HKAF COc1ccc(OCCn2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511684 ICIWNDIZSGWMKA-RUZDIDTESA-N 417.505 5.161 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cnc(Cl)c1Cl 587550473 BFGWISAUSYCMRK-RDTXWAMCSA-N 422.651 5.450 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2ccccc2F)c1 587569171 PGYOMJPXGLFHOW-ZEQKJWHPSA-N 412.416 5.901 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccccc2)cc1 587591906 IDHXILXXWHZQHN-SQHAQQRYSA-N 424.452 5.674 0 1 HKAF C[C@@]1(C2(c3ccccc3)CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604600 XHHFUJCERJGLBY-WIOPSUGQSA-N 400.474 5.625 0 1 HKAF C[C@]1(c2cccc(-c3cccc(O)c3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607057 HALXHERNPRFVCS-SHQCIBLASA-N 424.452 5.642 0 1 HKAF Fc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2cccc(F)c2)cc1 587622207 DWJJVLJCUPFGHR-UHFFFAOYSA-N 424.248 6.419 0 1 HKAF CCOc1ccc(-c2nn(-c3ccc(F)cc3F)c(=O)c3ccccc23)cc1OCC 587671228 LWRKDENIQCSXAI-UHFFFAOYSA-N 422.431 5.128 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C(=C/N(C)C)c2ccc(Cl)cc2)N1 587705246 YCBWQCVHHKUTFI-SCMYEKEKSA-N 423.757 5.420 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(F)(F)F)(c2ccc(F)cc2)N1 587711223 WQVNKGHASXRINN-QGHHPUGFSA-N 420.219 5.458 0 1 HKAF CC[C@@]1(c2cc(F)c(F)c(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587721462 VVUXPWDAGOEBNW-YYSFKGJASA-N 402.229 5.193 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cccs2)N1 587731572 HGMAOIBCIALRIZ-MPBGBICISA-N 420.322 5.615 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)c2ccccc2n3C)N1 587760418 YNOLKYBGCDWIPD-JCQPUDPBSA-N 423.329 5.857 0 1 HKAF CC[C@@H]1c2cc(OC)ccc2CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587807272 KPYCRUZOVZNUCZ-FIRDEBMASA-N 418.350 5.466 0 1 HKAF CCc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)oc2ccccc12 587825906 BRXWMESFJVMQDV-XUSGNXJCSA-N 402.307 5.695 0 1 HKAF Cc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 587831118 WMESWKIMIABRRS-ZSEKCTLFSA-N 400.291 5.780 0 1 HKAF CCCC[C@@]1(c2ccc3c(c2)OCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 587835858 QYDZMTOEBACXHW-ZSEKCTLFSA-N 420.322 5.285 0 1 HKAF Cc1ccc(-c2ncc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)o1 587852547 HEDAXBUPTHXLIU-VVVCHXIZSA-N 407.308 5.237 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2C(c2cccs2)(c2cccs2)N1 587857072 ZORKGOKQEOBGGD-NSHDSACASA-N 408.361 5.537 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1cc(C)ccc1C 587865244 YJWKANUEFCLWEH-UHFFFAOYSA-N 418.415 5.304 0 1 HKAF Cc1ccc(S(=O)(=O)c2ccc(-n3nc4cc3Oc3ccc(F)cc3-4)cc2)cc1 587877008 YYBDLELZBQLHAR-UHFFFAOYSA-N 406.438 4.925 0 1 HKAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587930970 JASYRLHKNGOHRG-SSOJOUAXSA-N 411.530 6.293 0 1 HKAF CCCOc1cc2nc(C[C@@H](C)c3cccc(OC)c3)[nH]c2cc1Br 587932280 RVANDCSYXVDNHM-CYBMUJFWSA-N 403.320 5.469 0 1 HKAF CCCCOc1ccc(OCCCC)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 587944603 FVIYGXJPVOBJII-UHFFFAOYSA-N 415.480 6.906 0 1 HKAF Cc1cc2c(cc1F)[C@](c1ccccc1)(c1ccc(Br)cc1F)NCC2 962303850 XFFFQGRBDFFBJT-QFIPXVFZSA-N 414.293 5.473 0 1 HKAF c1ccc(N2CCN3[C@H](Cc4ccccc4[C@H]3c3cccc(-c4ccsc4)c3)C2)cc1 962629827 CMERYNKHCYZGCD-IXCJQBJRSA-N 422.597 6.251 0 1 HKAF Fc1ccc(-c2nc3ccccn3c2[C@@H]2NCCc3cccc(-c4ccccc4)c32)cc1 962666639 KXUAATCIPADLKB-HHHXNRCGSA-N 419.503 6.043 0 1 HKAF CCOC(=O)[C@]1(c2c(C)c(C)cc(C)c2C)c2ccsc2CCN1Cc1ccco1 962714870 RKCLAXQMYCRJEY-RUZDIDTESA-N 423.578 5.440 0 1 HKAF CC(C)C[C@]1(c2cccc(Br)c2)c2c(F)cccc2C[C@H]2CCCN21 963092693 AFKXJMBVBQYXOG-KNQAVFIVSA-N 402.351 5.898 0 1 HKAF C[C@@]1(c2ccccc2OC(=O)c2ccccc2)NCCc2c(Cl)cc(Cl)cc21 963110473 PRBUXWSLBGQSJQ-QHCPKHFHSA-N 412.316 5.622 0 1 HKAF Cc1ccc(/C(=C(\CCCO)c2cccnc2)c2ccc(OCCN(C)C)cc2)cc1 1772589060 WKPBONRGPYKOQD-RQZHXJHFSA-N 416.565 5.062 0 1 HKAF c1ccc2c(-c3ccc(OCCN4CCCCC4)cc3)c(-c3ccsc3)sc2c1 61947968 IUFQDPSPFGGRLE-UHFFFAOYSA-N 419.615 7.162 0 3 HKAF CC(C)=CCC[C@H](C)C[C@@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@@H](c2ccc(F)cc2)O1 72137981 BRAXKJFXROHXHC-JNAXZKDPSA-N 402.535 5.375 0 3 HKAF CS(=O)(=O)c1ccc(C2=C(c3ccc(OC(F)(F)F)cc3)CC3(CC3)C2)cc1 3814736 KAEUSRHSWCBBPT-UHFFFAOYSA-N 408.441 5.474 0 1 HKAF CCCC[C@H](O)C[C@H](O)CCCCCCCCCCC(=O)c1c(O)cc(O)cc1O 13380842 FBFXIJVFPQRQJE-RBUKOAKNSA-N 424.578 5.189 0 1 HKAF biogenic CC(C)=CCc1cc(-c2coc3cc4c(c(O)c3c2=O)C=CC(C)(C)O4)ccc1O 13385406 MSKODIWLGXEVTN-UHFFFAOYSA-N 404.462 5.564 0 1 HKAF biogenic,in-vitro CCc1cccc(CC)c1NC(=O)[C@H]1c2ccccc2COc2ccc(C(C)C)cc21 13735162 VLFQOCBYCLPBQA-SANMLTNESA-N 413.561 6.598 0 1 HKAF Cc1ccc(C[C@H]2N=C(c3ccc(O)cc3)c3cc(Cl)ccc3N(C)C2=O)cc1C 26997442 BKHONXJYNYXGQT-JOCHJYFZSA-N 418.924 5.088 0 1 HKAF CCN(CC)CCCCCCCCCCCCNc1ccnc2cc(F)ccc12 27555828 WDSWYYRDJLCTLB-UHFFFAOYSA-N 401.614 7.029 0 1 HKAF OC1(c2ccccc2)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1 28708220 VYRHTEGFBOSTMB-UHFFFAOYSA-N 412.360 6.066 0 1 HKAF CCOc1c(-c2cccc3sc(/C(C)=C/C(=O)O)cc23)cc(C(C)C)cc1C(C)C 29341902 JCUMFUZJXNRHHE-GZTJUZNOSA-N 422.590 7.702 0 1 HKAF CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(CCCOCc2ccccc2)c1 29399452 VITJPUXVMNSXDP-SXOMAYOGSA-N 418.577 6.935 0 1 HKAF C[C@@](O)(CSc1ccc(F)cc1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1 34801504 CRPQTBRTHURKII-QGZVFWFLSA-N 403.828 5.979 0 1 HKAF COc1ccc([C@@H]2[C@@H](CCC(=O)Nc3ccc(C)cc3)C(=O)N2c2ccccc2)cc1 40409511 FHCOVYGXJSULCW-ILBGXUMGSA-N 414.505 5.127 0 1 HKAF CCN(CC)CCCC(CCCN(CC)CC)Oc1ccnc2cc(Cl)ccc12 40410388 SVKPDLXJCFGORR-UHFFFAOYSA-N 420.041 5.880 0 1 HKAF CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(OC)c2C1 40423327 JEIPZRACKXFYIK-GOSISDBHSA-N 414.496 5.103 0 1 HKAF in-vitro C/C=C(/CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 59206991 OSELKOCHBMDKEJ-JULYVKGMSA-N 412.702 7.945 0 1 HKAF CC1[C@H](O)CC(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)CCC[C@@H](C)O)C[C@H]1O 66251827 JWMNZSVRCJPIDT-KWCDKKTHSA-N 404.635 5.395 0 1 HKAF O[C@@](c1ccc(Br)cc1)(c1ccc(C(F)(F)F)cc1)c1cccnc1 72100843 ZGOBARMXVAVOQL-GOSISDBHSA-N 408.217 5.147 0 1 HKAF CC1=Nc2c(Br)cc(Cl)cc2[C@H](c2ccccc2)N1CCCN(C)C 72123191 FCRPEAMLVUUEIR-FQEVSTJZSA-N 420.782 5.509 0 1 HKAF FC(F)(F)c1ccc(CNCc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1 72180521 KELNYCIMBXURTD-UHFFFAOYSA-N 400.322 5.669 0 1 HKAF COC(=O)N1C(/C=C/C=C\c2ccc(OC)cc2)=Cc2ccccc2[C@H]1CC(C)=O 73062369 PSOQXJJOHWTUNT-YCDHJXNLSA-N 403.478 5.408 0 1 HKAF C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCCC3)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@@H]1C2(C)C 82215042 PDCNDFKHZKJYQQ-SLWXAUBPSA-N 422.548 5.001 0 1 HKAF CCCCCn1cc(C(=O)NC(C)C)c(=O)c2ccc(Sc3ccccc3)cc21 95578248 SDZZJJQUJLEACD-UHFFFAOYSA-N 408.567 5.481 0 1 HKAF Cc1cccn2c([C@@H]3C=C(c4ccccc4)NC(=S)N3)c(-c3ccc(F)cc3)nc12 95588821 GLTOPGQZOWPMAM-FQEVSTJZSA-N 414.509 5.009 0 1 HKAF O=C(O)C[C@H]1CC[C@H](c2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2)CC1 101501585 HYKWTHIUHHHQTM-IYBDPMFKSA-N 421.522 5.206 0 1 HKAF Clc1ccc(C2=NN[C@@H](c3cn(-c4ccccc4)nc3-c3cccs3)C2)cc1 103217956 FUOYIHRFCGVERT-HXUWFJFHSA-N 404.926 5.693 0 1 HKAF OC1=C2C(=Nc3c(ccc4ncccc34)[C@@H]2c2cccc(O)c2)C[C@H](c2ccccc2)C1 104052473 UBLHFOLGJWTXGU-SIBVEZHUSA-N 418.496 6.548 0 1 HKAF O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1cccc(F)c1 115312132 RXJVLYGMHWFTKP-UHFFFAOYSA-N 413.374 5.113 0 1 HKAF O[C@H]1CC[C@@H](c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CC1 144108574 HYXSQWHZJSHRQC-SAABIXHNSA-N 417.534 6.246 0 1 HKAF C1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1cccc2ccc3ccccc3c12 148919852 HTZQBFBLIBQDOS-YYADALCUSA-N 417.552 6.653 0 1 HKAF Cc1cc(OCC(=O)O)c(C)c(NCc2cc(-c3cccc(F)c3)ccc2F)c1F 218852313 MNYSCTFIPWXJIW-UHFFFAOYSA-N 415.411 5.463 0 1 HKAF CC(C)=CCC[C@]1(C)CC[C@]2(C)C(=CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@]32C)C1 238736742 CRANCNKSDHVJBF-XXAVWSCOSA-N 410.730 9.508 0 1 HKAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2CC[C@H](OC(=O)C=C(C)C)[C@H](C)[C@@]12C 238763983 UYCYCVGKTVFCMC-CNUVDFDASA-N 414.542 5.625 0 1 HKAF C[C@H](c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1)[C@H](C)CCc1ccncc1 299849572 LSCUPDKAFUIRHJ-QRVBRYPASA-N 405.582 6.904 0 1 HKAF Cc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(F)cc2)o1 299873650 ADDVVGADPFVQPI-BXIUTXANSA-N 406.505 5.729 0 1 HKAF C[C@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1)c1ccc(F)cc1 299885726 VXIZISJDKXZYAZ-PNDGYVOYSA-N 422.887 5.448 0 1 HKAF COc1cc(Sc2c(-c3ccccc3)[nH]c3c(F)cccc23)cc(OC)c1OC 473106994 ZRXCUAGHRCSQAU-UHFFFAOYSA-N 409.482 6.151 0 1 HKAF FC(F)(F)c1cc(Br)cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c12 586888122 WKHNLRVOQYQXME-KDOFPFPSSA-N 407.233 5.716 0 1 HKAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(C)c(Cl)cc3[nH]2)cc1 586948397 HOBXANQOAQBQPC-UHFFFAOYSA-N 411.914 5.301 0 1 HKAF Fc1c(Br)ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 587017822 QKCVGNQCGCRJLG-UHFFFAOYSA-N 409.671 5.303 0 1 HKAF COc1cc(OC)c2[nH]c(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)nc2c1 587047262 VIJLCNGSONNBLE-VOTSOKGWSA-N 416.905 5.447 0 1 HKAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 587052025 VAESJSXHSCFSTJ-UHFFFAOYSA-N 405.885 6.270 0 1 HKAF Cc1nccc2[nH]c([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc12 587054925 NDMORRQHNAMLDI-CYBMUJFWSA-N 414.292 6.505 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 587072217 OWANCUNTFFWOBS-YGGSDNEFSA-N 413.308 5.818 0 1 HKAF Fc1cc(Cc2nc3c(F)cnc(Br)c3[nH]2)ccc1-c1ccccc1 587145378 LVHLBGCYMJSMRN-UHFFFAOYSA-N 400.226 5.256 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(C(F)(F)F)ncc3[nH]2)c(Cl)c1 587159101 MLZNXCZRWZIHCO-GOSISDBHSA-N 421.781 5.938 0 1 HKAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 587160778 GRARBABRSINZFX-VXGBXAGGSA-N 415.184 5.634 0 1 HKAF COC(=O)c1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c(F)c1Nc1ccccc1 587161434 NXWYHRDPLYVDAS-SJORKVTESA-N 419.431 5.642 0 1 HKAF Cc1c(Cl)ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 587171448 OMMVEUCWJTUKKD-UHFFFAOYSA-N 415.877 5.132 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCCc3ccc(F)cc32)[C@H]1c1ccc(F)cc1 587329154 CJJMCVVGDJWSMC-ZCYQVOJMSA-N 406.428 5.651 0 1 HKAF Cc1ccc(C)c2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349927 HBNNXJDNRHZTPW-AOYPEHQESA-N 402.465 5.739 0 1 HKAF CCOC(=O)C[C@]1(CC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352763 XGGYYMGTWYZCCX-ZJSXRUAMSA-N 414.473 5.018 0 1 HKAF COc1cccc(-c2cc(-c3cc(C(C)=O)c(C)nc3C)nc3c2oc2ccccc23)c1 587364592 YGCBCAUDJGPWCN-UHFFFAOYSA-N 422.484 6.538 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1OCCCCF)O2 587383717 VGNWCWNTEUKYQG-IBGZPJMESA-N 422.294 5.175 0 1 HKAF Cc1ccc([C@]2(c3c(N)sc4c3CCCC4)CC(=O)c3cc(C)cc(N)c3O2)cc1 587415830 YTBPXRMWANBEIS-VWLOTQADSA-N 418.562 5.317 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCc4cccc(C)c4)c1)[C@@H](C2)C3=O 587441570 FRKVVMQPMXNFPT-FNZWTVRRSA-N 416.473 5.080 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)c2c(Br)cccc21 587457915 DIVYOZUUYPDFAX-QKVFXAPYSA-N 401.300 5.475 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](C1(c3ccccc3Cl)CCOCC1)CC2=O 587460977 ICSYPPVCGYUQBN-OAQYLSRUSA-N 400.902 5.080 0 1 HKAF CCCC[C@@]1(c2ccc(OC(F)(F)F)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 587463529 BKUZDVKXSZEBJE-QFIPXVFZSA-N 422.443 6.294 0 1 HKAF Cn1c(-c2ccccc2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587515358 LDMPMIWAPAMTAG-VWLOTQADSA-N 407.513 6.431 0 1 HKAF Cc1cccc(-n2ncc3c2CCC[C@@]32CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587517776 UXNYHRCAUPSUBC-HHHXNRCGSA-N 412.533 5.565 0 1 HKAF CC(C)[C@@]1(c2ccc(C3CCCCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587520650 BBZUNMNJWZYESB-MUUNZHRXSA-N 402.578 7.130 0 1 HKAF COc1ccc(Oc2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 587521246 BPYSJHHUUXSHOK-RUZDIDTESA-N 400.474 6.073 0 1 HKAF O=C1C[C@@]2(CCc3c(OCc4ccccc4)cccc32)Oc2c1ccc1c2CCCC1 587525118 QDKBJUTUFZNLOK-MUUNZHRXSA-N 410.513 5.951 0 1 HKAF COc1cc(C)c(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)cn1 587533194 UZJOJAAZYZCRBM-FQEVSTJZSA-N 405.519 5.712 0 1 HKAF Cc1ccc(Cl)c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nc12 587551865 KRCWICPACNZVSR-GBXCKJPGSA-N 417.848 5.605 0 1 HKAF CCC(C)(C)c1ccc(OCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 587564594 MBKUPGNAOLUPEM-UHFFFAOYSA-N 400.526 5.661 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2cccc(F)c2)s1 587568123 DASBZHRFOGUGPF-SIKLNZKXSA-N 419.433 5.358 0 1 HKAF Cc1cccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)c1C 587587831 OMGMKTIZHUTQBZ-RPLLCQBOSA-N 423.468 5.774 0 1 HKAF CCOc1ccc2nc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2c1 587589924 YVVGUGNXNXELRI-RCZVLFRGSA-N 413.429 5.042 0 1 HKAF C[C@]1(c2ccc(-c3ccccc3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611805 JTBUHSFXCULVHA-WIOPSUGQSA-N 414.482 5.998 0 1 HKAF O=C(c1cccc(OC(F)F)c1)c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587628855 SCXYSQFQBWOYGA-UHFFFAOYSA-N 407.697 5.812 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(Cl)ccc3Cl)c(-c3ccc(OC)cc3)c2c1 587640209 GHULWUFBGGTUBK-HNNXBMFYSA-N 424.371 8.331 0 1 HKAF CCCOc1ccc(Cl)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587696076 KTOKDHZGWQVAKE-JEOXALJRSA-N 412.730 5.654 0 1 HKAF COc1cc(C)c(Cl)c(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587698754 ZXETUOCOWHPKPH-OVWNDWIMSA-N 412.730 5.491 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ccc3cccnc23)N1 587701178 WSHFOIHTEUUOIK-APBUJDDRSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(C(F)(F)F)cc2Cl)N1 587710781 DZUXTQCJYSNGDF-ZIDLFYJRSA-N 423.635 5.279 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccccc2C(F)(F)F)N1 587710967 IEKCFOVVXLYFTN-BBATYDOGSA-N 416.256 5.599 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)(F)F)cc2Cl)N1 587715186 WXBBLSKXJANWGB-PWJLMRLQSA-N 422.647 5.884 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(Br)c2)N1 587732932 OPUGVWHRXCONCB-VPTHRUTESA-N 417.091 5.113 0 1 HKAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc12 587806278 HFUKXKFUASIVET-LAJNKCICSA-N 400.291 5.374 0 1 HKAF CCCC[C@@H]1Cc2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587818150 CEBGQGIVADWWCH-ORHBMQHOSA-N 402.351 5.729 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3cc(O)ccc3c2)N1 587832873 KZHQXJAMEIKFOF-GTJPDFRWSA-N 400.291 5.245 0 1 HKAF Cc1cc(Br)sc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587844018 LIQFQOPMPBPBGE-XLKFXECMSA-N 419.157 5.344 0 1 HKAF COc1ccc(-c2cccc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)c2)cc1 587935527 NBYKAVCBEAYTIK-UHFFFAOYSA-N 406.485 6.485 0 1 HKAF Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2cc(F)c(F)c(F)c2)n1 653681050 VDXPKGOCQTTYDS-CYBMUJFWSA-N 423.442 5.443 0 1 HKAF C[C@@]1(c2cccc(F)c2C(F)(F)F)NC2(CC2)Cc2ccc(Br)cc21 961613955 JKNRDCCPVZWQNA-KRWDZBQOSA-N 414.240 5.549 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(C=C(c3cccc(O)c3)Oc3ccccc32)N1 962950388 MUOUYXUUJVRBDC-CLYVBNDRSA-N 408.501 5.475 0 1 HKAF CCCOc1c(Cl)cc([C@@H]2N[C@@H](CC)Cc3c2[nH]c2ccccc32)cc1OCC 962951543 OETNIOVVYJCOGI-AOMKIAJQSA-N 412.961 6.023 0 1 HKAF Cc1cc(C)c2cc([C@H]3N[C@@H](C(=O)O)Cc4ccc(Cl)c(C(F)(F)F)c43)[nH]c2c1 963179510 LYGWWWGGWKCLOB-VQIMIIECSA-N 422.834 5.145 0 1 HKAF CN1CCc2c(Br)cccc2[C@@]1(c1cccc(Cl)c1)C1CCCC1 963279667 IMLJTEGEGULHNV-NRFANRHFSA-N 404.779 6.024 0 1 HKAF Cc1cc(C)c2c(c1)[C@@]1(CCC2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963832751 RZICJOWMNAFNEL-GDLZYMKVSA-N 422.572 6.089 0 1 HKAF COc1cccc(N2CCN(C(=O)N3c4ccccc4Sc4ccccc43)CC2)c1 1772577528 FRRBUZRSFUXLJA-UHFFFAOYSA-N 417.534 5.240 0 1 HKAF COc1ccc2c(CN3CCCCC3)cn(CCCOc3ccc(C)c(C)c3)c2c1 1857745173 PFWBKLLOIFFJOW-UHFFFAOYSA-N 406.570 5.722 0 1 HKAF C[C@@H]1C(=O)CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]3CC(C)(C)CC[C@@]3(C)CC[C@]21C 2356399350 SVZQHKOMCQDKKO-RQDDGMCJSA-N 412.702 8.067 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]45C[C@H](O)CC[C@]4(C5)C3=CC[C@@]12C)C(C)C 2356629793 QECYIHDHCKWWPU-NEHKBBKWSA-N 424.713 7.945 0 1 HKAF CC1=C2C[C@@]34CC[C@H](C)[C@@]2(CC1)[C@]3(C)CC1=CCC2=C1[C@]41C=C[C@@]3(CCC[C@]34C[N@]14)C2 2356649569 QAODPFWMQBRVFP-UUAKKXPISA-N 411.633 6.877 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CCC2=C3[C@@H](CC[C@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 2356700297 GSHNIZXJELCQAO-FTQHMRSISA-N 402.663 6.504 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 2356799579 UPEHPQZJYSSSEI-GKVOZFNHSA-N 418.662 5.618 0 1 HKAF COc1ccc(-c2sc3ccccc3c2-c2ccc(OCCN(C)C)cc2)cc1 61947936 IHDTVQWTNDELLP-UHFFFAOYSA-N 403.547 6.184 0 3 HKAF COc1ccc(-c2noc(-c3cccc4ccccc34)c2C(=O)NCC(C)C)cc1 774450 UOYNONNYHQDLQE-UHFFFAOYSA-N 400.478 5.556 0 1 HKAF CCC(O)(CC)c1cc(F)cc(OCc2ccc3c(-c4ccoc4)cc(=O)oc3c2)c1 1485380 SYSAVWZJCBIDKF-UHFFFAOYSA-N 422.452 5.779 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@@H]1CC(=O)C2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 6036315 DXYFRJNQUITWCN-JZTVDACLSA-N 416.646 5.827 0 1 HKAF O=C(N[C@@H]1CCCc2ccccc21)c1ccc(C[S@@](=O)c2ccc(Cl)cc2)o1 6751493 JXBBXRBNGDADHC-NGOKVRLYSA-N 413.926 5.048 0 1 HKAF CSc1cccc(NC(=O)NCCCN2CCC(Cc3ccc(F)cc3)CC2)c1 13443512 FQGDVQADZCRNHO-UHFFFAOYSA-N 415.578 5.014 0 1 HKAF CCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C 13474252 SHOWUJOJRJIEAH-UHFFFAOYSA-N 408.716 5.558 0 1 HKAF FC(F)(F)c1ccc2c(c1)-n1cccc1C(c1ccccc1)(c1ccccc1)S2 13651988 LUNBJPOQNBTMJW-UHFFFAOYSA-N 407.460 6.894 0 1 HKAF CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc(Cl)cc2)c2ccccc21 27099268 XBTFKEVZITXNIQ-BXKMTCNYSA-N 418.924 5.873 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](C)CC(=O)[C@](C)(CCC(=O)O)[C@@H]3CC[C@]12C 29236361 GOSURFASCRNOMA-AIUKGSMJSA-N 418.662 6.988 0 1 HKAF Cc1cccc2nc(-c3cccc(-c4ccc(NC(=O)CCc5c[nH]cn5)cc4)c3)[nH]c12 45231370 XKLCYGHTJNGIFO-UHFFFAOYSA-N 421.504 5.500 0 1 HKAF CCCN(CC)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1 45257659 GENDZOSEUQAVRG-UHFFFAOYSA-N 422.544 5.041 0 1 HKAF O=C(Nc1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)c1)c1ccncc1 45324628 OJAQNXWFGBWAMF-UHFFFAOYSA-N 408.436 5.683 0 1 HKAF COc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(SC)cc3)C2)cc1OC 49070585 RFFUREJWKADMTI-JOCHJYFZSA-N 404.535 5.781 0 1 HKAF CC[C@]1(c2ccc(CSc3ncc[nH]3)cc2)Oc2ccccc2-n2cccc2C1=O 66111879 KUIUNASGCSEZQN-XMMPIXPASA-N 415.518 5.373 0 1 HKAF CCCCNc1nc(NCCCCc2ccccc2)nc2cc(OC)c(OC)cc12 82129342 QIQOHRISIREPOO-UHFFFAOYSA-N 408.546 5.294 0 1 HKAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccccc1F 82150584 HCFFEOUYURKPGV-VGSWGCGISA-N 424.564 5.583 0 1 HKAF Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(F)cc2)oc1C 82164278 SWXXMMLRXFSWGW-IGKBFHKKSA-N 420.532 6.037 0 1 HKAF CCn1c2ccccc2c2c3c(ccc21)NC(=O)CS[C@H]3c1ccc2c(c1)OCO2 84559372 CLJGGLALHQZLAL-DEOSSOPVSA-N 416.502 5.318 0 1 HKAF Cc1ccc(N2C(=O)CS[C@H]2c2sc(Cc3ccc(Cl)cc3)nc2C)cc1 95561219 MWWCSFUXQNMPJF-NRFANRHFSA-N 414.983 5.783 0 1 HKAF COc1cc2cc(-c3cccc(-c4ccc(C(C)(C)C)cc4)c3)nc(C)c2cc1OC 95562107 MAQKRGDIZDFHEV-UHFFFAOYSA-N 411.545 7.192 0 1 HKAF COc1ccc([C@@]2(O)/C(=C/c3ccccc3)CCC[C@H]2CN(C)c2ccccc2)cc1 98084832 NYKSSJDPEPIBPK-ZWCIUUFASA-N 413.561 5.903 0 1 HKAF O=C(Nc1sc2c(c1C(=O)Nc1ccccn1)CCCCC2)c1cccc(F)c1 103239388 RKFVPRRFJDEFME-UHFFFAOYSA-N 409.486 5.056 0 1 HKAF CC(C)CCC[C@@H](C)CCOc1ccc(COc2cccc(O)c2C(=O)O)cc1 103244754 ZLWWOGYONVIDEN-GOSISDBHSA-N 400.515 5.901 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccc(Cl)s2)C[C@@H](c2cccs2)C1 103948692 DTXXVTJNMRQJTK-XUSGNXJCSA-N 412.967 7.092 0 1 HKAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2csc(C)n2)c1 167356297 LRUWAFBAMKJJRR-YWZLYKJASA-N 422.550 5.245 0 1 HKAF O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(CNCc2cccs2)cc1 205329158 ARAIOWFKWHCOKE-UHFFFAOYSA-N 423.969 5.145 0 1 HKAF Fc1ccc(NCc2ccccc2)cc1-c1ccnc2[nH]c([C@@H]3CCCNC3)cc12 226063782 MPHFYYSKXDMJBP-GOSISDBHSA-N 400.501 5.448 0 1 HKAF CC(=O)O[C@@H](CO)COC(=O)C[C@H](C)CC[C@@]1(C)C2=CCCC(C)(C)[C@@H]2CC[C@H]1C 238749571 TYTJEMTZWMJJCH-NCEZIRKJSA-N 422.606 5.059 0 1 HKAF CC(=O)OCC1=CCC[C@H]2[C@@]1(COC(C)=O)CC[C@@H](C)[C@]2(C)CCc1ccoc1 238758810 MFHNNINMNRCKKL-YLJCJYEASA-N 402.531 5.097 0 1 HKAF CC1=CC[C@H]2[C@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)O 238776523 BSSGYOHVEPJDRQ-ZYNTZZCOSA-N 422.562 5.064 0 1 HKAF c1ccc(CN2[C@H](c3ccccc3)C3=C(NO[C@@H]3c3ccccc3)[C@H]3CCCC[C@H]32)cc1 254127712 AXWBMVPUDJKFSZ-FDYRDFEWSA-N 422.572 6.333 0 1 HKAF C/C=C(/CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 255256198 OSELKOCHBMDKEJ-LBAWXQESSA-N 412.702 7.945 0 1 HKAF C/C(=C/CCC(C)C)[C@@H]1CC[C@]2(C)C1=CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C 255269440 SXTIDPQFHVNBMX-RWCQTSTGSA-N 424.713 8.543 0 1 HKAF C[C@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@H](C)c2ccccc2)c1 299808147 OREMYNOLMRLGSV-NDDXJGTKSA-N 403.654 7.767 0 1 HKAF CC(=O)O[C@H]1[C@H](OC(C)=O)C(C(C)C)=CC=C(C)CCC=C(C)CC[C@@H]2O[C@]21C 299809881 SLZFGKPBZNIZNQ-UARRHKHWSA-N 404.547 5.056 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(SC(F)(F)F)cc3)nc3ccc(O)c1c23 586985448 DCBYEFFQPYIINP-UHFFFAOYSA-N 423.415 6.431 0 1 HKAF Brc1cccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c12 587018095 UBIBTMTVTMVYCS-UHFFFAOYSA-N 422.311 5.741 0 1 HKAF Fc1c(Br)cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1F 587051845 UKTFPZIKEPBBET-BQBZGAKWSA-N 418.068 6.182 0 1 HKAF Cc1ccc2c3c(c4c(nc13)C=C(c1cccc(CO)n1)CC4)-c1ccccc1C2=O 587097708 PWOMZNZBOADEOS-UHFFFAOYSA-N 404.469 5.129 0 1 HKAF O=C1c2ccccc2-c2c(Cc3ccccc3)c([C@H]3CCCNC3)nc3cccc1c23 587105945 HMFWADXKKBNYHR-IBGZPJMESA-N 404.513 5.504 0 1 HKAF Fc1cc(C(F)(F)F)c2[nH]c(-c3cc(Cl)c(Br)cc3F)nc2c1 587136880 PEKCQMQNFNACNQ-UHFFFAOYSA-N 411.555 5.943 0 1 HKAF Cc1nc2ccccc2nc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347069 ODJNEAIKQMXUSZ-DHLKQENFSA-N 414.436 5.057 0 1 HKAF O=C1c2ccc(O)cc2OC(C2CCCCC2)(C2CCCCC2)[C@H]1c1ccc(F)cc1 587348619 AGLWDMYKSLCHPB-VWLOTQADSA-N 422.540 6.790 0 1 HKAF Cc1cccc(C[C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587357089 SLOKMJUCFGXUEU-AOYPEHQESA-N 402.465 5.590 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(sc4ccccc24)C3)c1 587367106 SPHFYMHGVYTGCM-UHFFFAOYSA-N 419.505 7.443 0 1 HKAF CC(=O)SC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587369692 NPMCMNLOGZLLKN-VWNXMTODSA-N 422.477 5.065 0 1 HKAF Cc1sc2ccccc2c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587376639 XTZOYRGUVPUSDU-ZCYQVOJMSA-N 418.489 6.329 0 1 HKAF CC(=O)c1ccc(CCc2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 587404562 FVNPSWYXSOJFQH-HHHXNRCGSA-N 413.517 5.446 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)cccc1Oc1ccccc1)CC2=O 587461724 SMRWEJYEAFPLRE-JOCHJYFZSA-N 408.881 6.497 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC)([C@@H]1CCCCN1C(=O)OC(C)(C)C)CC2=O 587474578 GEULSAWGEIIMOF-GBXCKJPGSA-N 417.546 5.248 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3ccc(C(=O)O)cc3)c1)CC2=O 587491912 XGAZHKMFCFNGGX-QHCPKHFHSA-N 402.446 5.416 0 1 HKAF O=C1C[C@H](c2cccc(OCc3ccc(Cl)cc3)c2)Oc2c1ccc1c2CCCC1 587500646 MSYNHUUOQZQIKU-RUZDIDTESA-N 418.920 6.504 0 1 HKAF C[C@@]1(c2cnc(Nc3ccc(F)cc3)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587510894 YVGIFITXIWZFDS-QHCPKHFHSA-N 408.498 5.785 0 1 HKAF Cc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(N)ccc1S2 587538637 QOSHRFONHPQBJU-AREMUKBSSA-N 413.542 5.830 0 1 HKAF C[C@@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540596 PQSYMAXYPLATLR-RXVVDRJESA-N 411.251 5.032 0 1 HKAF CCOc1ccc(Cl)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544040 DGRVNTZENXERSZ-REWPJTCUSA-N 410.853 5.321 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1cccc(Cl)c1 587546137 IKYPKCVJUMUKIZ-AUSIDOKSSA-N 418.836 5.139 0 1 HKAF COc1ccccc1C[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587599639 HCWGSCDGPIHTQI-WMDMVVLCSA-N 416.473 5.144 0 1 HKAF COc1ccccc1[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600608 ORQQNFSLJYVYPU-SQJMNOBHSA-N 404.462 5.304 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccc(Cl)cc3)on2)N1 587697768 MQKNIIDRYAWZDJ-GIGQVBGESA-N 421.697 5.520 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCCCF)cc2)N1 587714609 GIWBDFJMJFPARR-RNODOKPDSA-N 410.302 5.124 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3c2ccc2ccccc23)N1 587808489 ZJVVCHSKVVBVGA-YTEVENLXSA-N 409.302 5.846 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccsc2N)N1 587844008 LHNBQXAWIWHVFV-MPBGBICISA-N 417.347 5.058 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccsc3)n2)N1 587852338 FQLSMZVYHBOJSN-JEOXALJRSA-N 403.320 5.335 0 1 HKAF COc1ccc2sc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587855814 GXQKVLMFGAXAHH-GIGQVBGESA-N 406.320 5.435 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C1(c2ccc(Cl)cc2)CC1 587861049 LCNRTPFRRBZLKP-UHFFFAOYSA-N 420.818 5.603 0 1 HKAF O=C([C@@H]1CCCN(Cc2ccccc2Cl)C1)n1nc2cc1Oc1ccc(F)cc1-2 587873413 AYYKEXKAAOANET-OAHLLOKOSA-N 411.864 5.001 0 1 HKAF COc1ccccc1-c1ccc(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)cc1 587930909 HUZIKPCKGSXSGA-UHFFFAOYSA-N 400.425 6.517 0 1 HKAF CCc1sc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(C(=O)OC(C)C)c1C 653718514 RDQLRCWCYVYOKI-UHFFFAOYSA-N 421.387 5.132 0 1 HKAF Cc1cc([C@H]2NCCc3ccc(F)c(C)c32)cc(C)c1OCc1ccccc1Cl 962300297 PKMULEGGVNDNAY-XMMPIXPASA-N 409.932 6.218 0 1 HKAF c1ccc(-c2ccc3c(c2)CCN[C@]3(c2ccccc2)[C@H]2N[C@H]2c2ccccc2)cc1 962673250 YDBVYLXTDOTIBZ-AWCRTANDSA-N 402.541 5.456 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cn(-c3ccc(Cl)cc3Cl)nn2)N1 962949289 FEOGHSGBKRXWJZ-YEJXKQKISA-N 412.324 5.069 0 1 HKAF CCCCCC[C@]1(c2ccc(OC)cc2)NCCc2cc3cccc(OC)c3nc21 963052686 GFKMMTCWUNCKLD-AREMUKBSSA-N 404.554 5.612 0 1 HKAF CCOC(=O)c1cccc([C@]2(CC(C)(C)C)c3ccc(F)cc3C[C@@H]3CCCN32)c1 963111799 RKBPAVVQTOSJKW-BKMJKUGQSA-N 409.545 5.703 0 1 HKAF CCCC[C@H](CC)CCC1(CC[C@@H](CC)CCCC)NCCc2cccc(Cl)c21 963390322 HJBWRXQRZKNBNN-GOTSBHOMSA-N 420.125 8.674 0 1 HKAF Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)Cl)sc2c1CCCCC2 1772628968 QKPNOIIDISJFRP-UHFFFAOYSA-N 412.889 5.348 0 1 HKAF CCCOC(=O)/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 1857559573 XFQKYNGRQFOASX-CVZCJSSSSA-N 400.559 6.191 0 1 HKAF CC1=CCC[C@](C)(CC[C@@]2(C)C(C)=CCC[C@H]2C)O[C@@H]1[C@@H](O)c1cc(O)ccc1O 1857748161 NSUMOOGGTKRLQO-CDICLKDFSA-N 414.586 6.178 0 1 HKAF COc1ccc(NC(=O)c2cc(Oc3ccc(/C=C/c4ccncc4)cc3)ccn2)cc1 1857772502 IPBNBIZSQLKFPB-NSCUHMNNSA-N 423.472 5.700 0 1 HKAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@]2(C)CC[C@@H]2[C@H]3CC(C)(C)CC[C@@]3(C)CC[C@]21C 2356435045 PFZXVVZKPCFFPL-WIRWQFQYSA-N 412.702 8.067 0 1 HKAF CC(C)C1=CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]12 2356534651 GXSBDSFFYOOCGN-KDFQJYKASA-N 424.713 8.233 0 1 HKAF CC(C)=CCC[C@@H](CO)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356762769 SQUDFJUCUDJIJT-OTJIFCMISA-N 416.646 5.252 0 1 HKAF CCCCn1nnnc1[C@H](c1cc2ccccc2o1)N(C)Cc1ccc(Cl)cc1 95567537 WGPSYPMFTXCMLX-NRFANRHFSA-N 409.921 5.094 0 3 HKAF CCCCCc1cc(O)cc(OC(=O)c2c(O)cc(OC)cc2CCCCC)c1 13339603 NMNCVLXWLPXGJU-UHFFFAOYSA-N 400.515 5.791 0 1 HKAF biogenic COc1ccc(CSc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 13677550 AWTKVLBTCWIYCU-UHFFFAOYSA-N 421.349 5.277 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2cccc(CO)c2)CCCC1 13736851 HRZHWTXSAHSFNW-UHFFFAOYSA-N 408.586 6.059 0 1 HKAF C[C@H]1CC=C[C@@H]2[C@@H](c3ccc(Br)cc3F)N(Cc3ccccc3)C(=O)[C@H]12 13830014 CIPDVFAPNIGCCR-JFJAIVLJSA-N 414.318 5.500 0 1 HKAF O=C1NC[C@H](c2ccc(F)cc2)C12CCN(C1(c3cccs3)CCCCC1)CC2 13982670 XKXHBXPCCCQIHX-HXUWFJFHSA-N 412.574 5.042 0 1 HKAF CNCCN(C)c1cc(-c2ccc3c(c2)Nc2ccccc2S3)nc2ccccc12 27310529 PQVYROLIRAIILF-UHFFFAOYSA-N 412.562 5.766 0 1 HKAF CCCCc1ccc2nc(N[C@@H](Cc3ccc(Cl)cc3)C(=O)OCC)sc2c1 28005197 UAQYSXWPHVTAKC-IBGZPJMESA-N 416.974 5.879 0 1 HKAF CC[C@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4F)oc3C)ccc21 28566070 HPTWYTJROHXJTH-ICSRJNTNSA-N 423.484 5.551 0 1 HKAF CCSc1ccc(OCc2nnc3sc(-c4ccccc4Cl)nn23)cc1 28709005 SXTISKJYIQEHSE-UHFFFAOYSA-N 402.932 5.197 0 1 HKAF CC1=C[C@H]([C@@H]2Oc3c(F)cc(F)cc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)CCC1 34010965 NNEGFNICKYKFDF-GYCJOSAFSA-N 407.504 7.419 0 1 HKAF COc1cc2c(c(O)c1[C@H]1C=C(C)CC[C@@H]1C(C)C)C(=O)C[C@@H](c1ccccc1)O2 34364103 FSLNGPMZDQWHEZ-DYXWJJEUSA-N 406.522 6.203 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H](C(C)=O)CC[C@]23C)C1(C)C 38967599 ZEFDQPPZEFOVSL-ALVYHVGUSA-N 402.619 6.192 0 1 HKAF CCn1c(Nc2ccc(F)cc2Cl)nc2cnc(Oc3c(F)cccc3F)nc21 40810698 PQQGYBRTCNYZJZ-UHFFFAOYSA-N 419.794 5.453 0 1 HKAF CC(C)(C)S[C@H]([C@@H](OCc1ccccc1)c1ccc(Cl)cc1)n1ccnc1 45358710 LINMDIHWXVNQQT-LEWJYISDSA-N 400.975 6.525 0 1 HKAF COc1ccccc1Oc1ccc(Nc2ccccc2C(=O)O)cc1C(F)(F)F 62260238 NZIHKHCYCYWYGF-UHFFFAOYSA-N 403.356 5.948 0 1 HKAF CS(=O)(=O)c1ccc2nc(-c3ccc(-c4cccc(Cl)c4F)cc3)[nH]c2c1 64539309 ZSOMFQKOOXTIDA-UHFFFAOYSA-N 400.862 5.093 0 1 HKAF CCOP(=O)(OCC)[C@@H](NCc1cccnc1)c1ccc(-c2ccncc2)cc1 73197346 SHJSNYFPZRHOGD-JOCHJYFZSA-N 411.442 5.198 0 1 HKAF COc1cccc(Nc2nnc([C@@H](O)c3ccc(Oc4ccccc4)cc3)s2)c1 82078129 JDFGNXSHOLPFTD-FQEVSTJZSA-N 405.479 5.164 0 1 HKAF CC[C@H](C)Cn1c(-c2ccccc2)nc2c(NCCc3cccc(F)c3)ncnc21 82179430 BVYGISAQJSWKSE-KRWDZBQOSA-N 403.505 5.333 0 1 HKAF COc1ccc(-c2cc(COc3ccccc3-c3nc4ccccc4s3)on2)cc1 84704126 PYQOFXNMUGLQQD-UHFFFAOYSA-N 414.486 6.206 0 1 HKAF COc1cc(Nc2ncc3c(n2)[C@@H](c2ccccc2)CCC3)ccc1-c1cnn(C)c1 95574218 NEOIDQOGKDDFHZ-JOCHJYFZSA-N 411.509 5.098 0 1 HKAF CC1(C)O[C@H]2C3=C([C@H]2O1)[C@@H](c1ccccc1)[C@H](CCc1ccccc1)C=CC=C3CO 102401093 CFKPGEPVQJMZJF-HKTMPKTRSA-N 414.545 5.338 0 1 HKAF O=C1O[C@@](CSc2ccccc2)(c2ccccc2)CC(O)=C1Sc1ccccc1 103217416 OLBDFXOVELREJY-DEOSSOPVSA-N 420.555 6.183 0 1 HKAF COc1ccc(-c2c(S(=O)(=O)c3ccc(C)c(C)c3)cnc3cc(F)ccc23)cc1 115925708 LKHPUAVCWOGGOE-UHFFFAOYSA-N 421.493 5.499 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)CCC[C@@]45C[C@]35CC[C@]12C 120657085 BSLYZLYLUUIFGZ-GCFQAKQJSA-N 412.746 9.278 0 1 HKAF CCCCC/C=C/C/C=C\C/C=C\C/C=C/CCCCCC(=O)OC[C@@H](O)CO 169364289 UDZUDFKFJCAENZ-ZPABXWJQSA-N 406.607 5.809 0 1 HKAF CN1C(=O)CCc2cc(-c3cncc(CSc4nc5ccccc5o4)c3)ccc21 220969306 WYLRYRORILZUBG-UHFFFAOYSA-N 401.491 5.091 0 1 HKAF CCCCCC[C@@H](C)/C=C\C/C=C\C/C=C/C/C=C\CC[C@H](C)C(=O)NCCF 231934541 RAMPXDRFGKYVNF-VUHUOMAKSA-N 405.642 7.490 0 1 HKAF CCc1c(CNC(=O)OC(C)(C)C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586998000 XIOMRCNCSJGVGY-UHFFFAOYSA-N 402.494 5.342 0 1 HKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(C)c(Br)ccc2[nH]1 587067010 YCFCKXXBVNDNOR-UHFFFAOYSA-N 400.707 6.053 0 1 HKAF CSc1ccc2nc(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)[nH]c2c1 587083498 XBVKZGYUAAKLOX-UHFFFAOYSA-N 405.910 6.722 0 1 HKAF O=C(O)Cc1c(-c2cc(F)cc(F)c2)nc2cccc3c2c1-c1ccccc1C3=O 587104522 YAGUYAAVFOAYLV-UHFFFAOYSA-N 401.368 5.019 0 1 HKAF Cc1c(F)cc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1F 587132627 GEMPBMFXMWHGPV-UHFFFAOYSA-N 402.036 5.342 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1F 587151868 VBOWWXGFIPENMQ-LJQANCHMSA-N 422.328 6.167 0 1 HKAF Fc1ccc(/C=C(/c2nc3c(F)cnc(Br)c3[nH]2)c2cccs2)cc1 587164746 VWQDWIJXFXQPLH-XYOKQWHBSA-N 418.266 5.649 0 1 HKAF O=C(N[C@@H](c1ccccc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccccc1 587219201 NORWBLRABDACDR-SFHVURJKSA-N 413.374 5.240 0 1 HKAF CC(C)Oc1cc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2cc1Br 587258570 GQOBPBLMCBRICA-SFHVURJKSA-N 424.342 5.508 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCOc3c(Cl)cccc32)[C@@H]1c1ccc(F)cc1 587331178 PCKDZRUNFVRKNN-NFBKMPQASA-N 410.828 5.222 0 1 HKAF CC(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 587337481 PPGYSQCNMNODFT-ILBGXUMGSA-N 419.452 5.072 0 1 HKAF CC[C@]1(c2c(F)cc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339317 YSCQZXZCHQSVOL-REWPJTCUSA-N 416.370 5.613 0 1 HKAF COc1cccc(-c2cc(-c3cc(-c4ccccc4)no3)nc3c2oc2ccccc23)c1 587362941 NDCCTFZSTOXUAG-UHFFFAOYSA-N 418.452 6.979 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@](C)(c2ccccc2)C3)c1 587366945 OTEQIVUQRHAPLO-NDEPHWFRSA-N 405.497 6.713 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1sccc1Br)(C1CCCCC1)O2 587410466 NFPNSFXBCWSIFQ-FQEVSTJZSA-N 420.372 5.842 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ccccc4C(F)(F)F)c1)[C@@H](C2)C3=O 587421105 NORFGTFRIHLJBX-MBSDFSHPSA-N 410.391 5.870 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(OC)c(Cl)c3)o1)CC2=O 587461396 KCAVKAPXAVWNTN-QFIPXVFZSA-N 412.869 5.973 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1C(C)(C)C)CC2=O 587478957 XEVROVUMCDHOSA-JOCHJYFZSA-N 404.510 5.534 0 1 HKAF O=C1C[C@@H](c2ccc(Cc3ccc(Cl)nc3)cc2)Oc2c1ccc1c2CCCC1 587496963 DBGJOZXZJXDEBE-QHCPKHFHSA-N 403.909 5.911 0 1 HKAF O=C1C[C@@H](c2ccc(OCc3ccccc3)cc2F)Oc2c1ccc1c2CCCC1 587500362 BGFBJSDUQPGPGQ-VWLOTQADSA-N 402.465 5.990 0 1 HKAF C[C@]1(c2cccc(-c3ccc(Cl)cc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587503528 VBSVTUPAZFFIOR-AREMUKBSSA-N 402.921 6.766 0 1 HKAF O=C1C[C@@H](c2cc(F)ccc2I)Oc2c1ccc1c2CCCC1 587505315 LVXNXEWXUWSISS-SFHVURJKSA-N 422.237 5.016 0 1 HKAF O=C1C[C@](c2ccc(Br)s2)(C2CC2)Oc2c1ccc1c2CCCC1 587533573 XKQYRPDUGAZSES-HXUWFJFHSA-N 403.341 5.660 0 1 HKAF CCCCCOc1cc2nc(COc3cccc(C)c3C)[nH]c2cc1Br 587564537 VOHVIHFWEZQNBW-UHFFFAOYSA-N 417.347 6.090 0 1 HKAF CC(C)COc1cccc(OCc2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587565763 JWRMMHMVIQMFNH-UHFFFAOYSA-N 402.494 5.756 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ccco1 587567816 CGDBLIGHFPCZFA-ZJSXRUAMSA-N 402.377 5.030 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(O)cc1 587605510 AGUZMHXSGMMCHA-BVAGGSTKSA-N 410.425 5.003 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C)c(Cc3c(C)nc4ccc(OC)cc4c3Cl)c2c1 587642502 STEUBDVQGOAXRG-AWEZNQCLSA-N 406.957 7.099 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/C=C/c2ccc(Cl)cc2)N1 587702848 WVAKVLJBGDJRAL-BGJHHESQSA-N 406.726 6.087 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)cccc2C(F)(F)F)N1 587711017 IPHJGDCAVICPIV-XYZCENFISA-N 420.219 5.544 0 1 HKAF Cc1cc(C)c(-n2cccn2)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587757666 HHYMSVVXTVBMPN-VBKZILBWSA-N 414.322 5.014 0 1 HKAF Cc1cc(C)cc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587758442 XOBLSWULFMILDO-NYHFZMIOSA-N 413.334 5.619 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC2CCCC2)(c2ccccc2)N1 587816514 ZBKMBIOHIFRLNB-QRQCRPRQSA-N 402.351 5.946 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccc(CC)cc2s1 587861813 VWSCFMXIVGPOGW-UHFFFAOYSA-N 418.349 6.417 0 1 HKAF CCCOc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)cc1 587864726 NWESPPRHCKVSDD-UHFFFAOYSA-N 418.415 5.445 0 1 HKAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 587936663 LQHGGRWUGGTZRN-FPTDNZKUSA-N 415.518 5.685 0 1 HKAF CC(C)c1ccc(-c2cc(O)n(CC[C@H](c3ccc(F)cc3)c3ccco3)c2O)cc1 587944417 BURAQYHOVFTTQC-JOCHJYFZSA-N 419.496 6.644 0 1 HKAF COc1ccc2c(c1OC)[C@](c1ccc(Cl)cc1)(c1ccccc1C)N(C)[C@H](C)C2 962568901 LLACHXBTGDSIMO-DWXRJYCRSA-N 421.968 5.834 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)CCC[C@]31c2cccc(F)c2CCN1[C@H]1CCSC1 962713320 RGOCHZCXARLRAR-GKVSMKOHSA-N 406.570 5.559 0 1 HKAF Cc1cc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c(C)n1Cc1ccccn1 962716915 UBYNLLRQUTWIIF-NLFFAJNJSA-N 421.585 5.140 0 1 HKAF C[C@]1(C(=O)c2ccc(C(F)(F)F)cc2)c2ccsc2CCN1Cc1cccnc1 962994568 DQLUOKMFNSVEBH-OAQYLSRUSA-N 416.468 5.318 0 1 HKAF Fc1cccc2c1[C@](c1ccccc1CN1CC=CC1)(C1CCCC1)N1CCC[C@@H]1C2 963110502 VMLBRJGJDDTITJ-UFHPHHKVSA-N 416.584 5.652 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC12CC3CC(CC(C3)C1)C2)c1ccccc1 963236255 XWBQAJMAIBVLNC-DSTMPDBISA-N 413.649 7.193 0 1 HKAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)c1ccc2ccccc2c1OC(F)F 963639551 VLCYXRVAKIJXJT-JBEBIEQOSA-N 413.464 5.256 0 1 HKAF Oc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c2Cc2cccc(O)c2-3)cc1 1857533609 SUBDUDXGJOPAJJ-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF Fc1ccc(-c2csc3nc(-c4cc5cc(Br)ccc5o4)cn23)cc1 1857550465 KODBBNXMFFFAQV-UHFFFAOYSA-N 413.271 6.378 0 1 HKAF CSc1ccc(C(=O)O[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 1857570876 RITHYTFVZGFPES-SFHVURJKSA-N 407.322 5.510 0 1 HKAF CC1=C[C@H](CNCC2CCCCC2)[C@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 2356356252 KZTOZSHNNTXTQH-VXNXHJTFSA-N 407.646 6.438 0 1 HKAF CC(C)=CC(=O)OCC1=CCC[C@@H]2[C@]1(C(=O)O)CC[C@H](C)[C@@]2(C)CCc1ccoc1 2356421125 AKEJQJWVKAMFBO-CKBKHPSWSA-N 414.542 5.565 0 1 HKAF CC(C=CC=C(C)[C@@H]1C=C2C(C)(C)C[C@@H](O)C[C@]2(C)O1)=CC=CC=C(C)CCCO 2356619059 SMTGOURXPBLNQN-DXBVXKBHSA-N 412.614 5.975 0 1 HKAF C[C@@H]1CC[C@H](O)CC1=CC=C1CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)C[C@H](O)CC(C)(C)O 2356625752 YIXWXJZATQCQEC-UMYPAOMKSA-N 418.662 5.785 0 1 HKAF COc1cc2c(c3c1C(=O)O[C@H](C)CCCCCCC3)C[C@@H]1[C@H](C)CO[C@]1(C)O2 2356824451 GUWRCPIQLPSBMM-DQRNBUCVSA-N 402.531 5.071 0 1 HKAF COc1ccc(C[C@@H](N)c2csc(NC(=O)Nc3ccccc3C(C)(C)C)n2)cc1 61930048 PURDEZNJFLIDCP-GOSISDBHSA-N 424.570 5.336 0 3 HKAF CCN(CC)C(=O)CC[C@H]1CC[C@]2(CCCN(Cc3cccc4ccccc34)C2)O1 96018810 OIAVXLKBTCXYQS-OZXSUGGESA-N 408.586 5.002 0 3 HKAF COc1ccc(OCF)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 1489370 HNCYVWMTXRPXGY-UHFFFAOYSA-N 413.420 5.486 0 1 HKAF CSc1csc(-c2ccc(-c3ccc(-c4cc(SC)cs4)s3)s2)c1 1654761 AKZBVOCRTHFJAI-UHFFFAOYSA-N 422.712 8.377 0 1 HKAF C[C@@H]1[C@@H]2Cc3ccc(I)cc3[C@@]1(C)CCN2Cc1ccccc1 13742448 KAICFMDUDWIURZ-NQERJWCQSA-N 417.334 5.016 0 1 HKAF CCCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21 14974490 WZKXGCLWCGWQNQ-UHFFFAOYSA-N 404.952 5.013 0 1 HKAF COc1cccc(C2(c3cccc(OC)c3)C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)c1 26642853 XNPMOWWZDVCOBR-WUFINQPMSA-N 420.532 5.416 0 1 HKAF Clc1cccc(-n2ncnc2NCc2ccccc2Oc2cccnc2)c1Cl 29126160 SJYHSTPOBFAJMD-UHFFFAOYSA-N 412.280 5.374 0 1 HKAF CCCCOc1ccc(-c2nc3n(c2-c2ccc(OCCCC)cc2)CCS3)cc1 34079697 XAIZXQWCIZIPJW-UHFFFAOYSA-N 422.594 6.681 0 1 HKAF Nc1c(Br)cc(/C=C/c2ccnc3ccccc23)cc1Br 36381171 LGMANTJUDVZTME-AATRIKPKSA-N 404.105 5.512 0 1 HKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCCc1cccs1 38146499 YYJVDMAYLZCQID-MLFLMRJSSA-N 413.671 7.553 0 1 HKAF Cc1cnc(C(=O)Nc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)cn1 45190185 FRFCPRKFSKKPCD-UHFFFAOYSA-N 405.461 5.248 0 1 HKAF S=C(Nc1cccc(Cl)c1)Nc1ccc2ncnc(Nc3ccccc3)c2c1 45317300 PULJSBCHTSPWFX-UHFFFAOYSA-N 405.914 5.836 0 1 HKAF CCC1=N[C@H](c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1C(=O)N(CC)CC 72113448 LDXRYBCPRRDKRJ-RTWAWAEBSA-N 418.368 6.362 0 1 HKAF CC(C)c1cccc(-c2ccc3nnc(-c4ccc(OCCCN(C)C)cc4)n3c2)c1 82081955 XRZQQADFRILZAG-UHFFFAOYSA-N 414.553 5.517 0 1 HKAF O=C(O)CC1=C/C(=C\c2cccc(-c3ccc4c(c3)OCO4)n2)c2ccc(F)cc21 84711781 PMALRDGDORLEBX-OQLLNIDSSA-N 401.393 5.029 0 1 HKAF CN1CCC(Oc2ccc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)cc2)CC1 103247884 VNCODLOGMRXSPL-UHFFFAOYSA-N 420.940 5.732 0 1 HKAF CC(C)[C@@H](C)[C@@H](C)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118924029 KTGGCSVZUGUIFS-IONDWVCFSA-N 416.734 7.961 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 118937086 HXQRIQXPGMPSRW-NODIXABTSA-N 400.691 7.613 0 1 HKAF endogenous,in-man C[C@@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 118937132 XYNPYHXGMWJBLV-QVMMLYGUSA-N 415.662 5.367 0 1 HKAF endogenous,in-man c1ccc(CCN2CCC(c3sc(-c4ccccc4)nc3-c3ccccc3)CC2)cc1 142674664 ZGOWMANVWHTSLQ-UHFFFAOYSA-N 424.613 6.899 0 1 HKAF O=C(CCCc1ccccc1)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 145062313 SXHXUBSSUBDMFW-HXUWFJFHSA-N 403.309 5.497 0 1 HKAF CCCCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCCC(=O)NCCCC(=O)O 169622525 SWAWTORXSPNTDG-YLIHFPLRSA-N 405.579 5.084 0 1 HKAF CC[C@@H](NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1ccccc1 198390942 DXAXGTUMUWQTQY-HSZRJFAPSA-N 404.460 5.849 0 1 HKAF CN1CCC(c2cc3c(-c4cccc(N(C)Cc5ccccc5)n4)ccnc3[nH]2)CC1 220206358 LOWTYMOPTFLWHN-UHFFFAOYSA-N 411.553 5.071 0 1 HKAF CC1(C)CC[C@@]2(C)CC=C3[C@](C)(CC[C@@H]4[C@@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@H]2C1 238771484 DBCAVZSSFGIHQZ-FEZFHWQUSA-N 424.713 8.377 0 1 HKAF COc1cc([C@@H]2OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]23)ccc1O/C=C\C(C)C 257498513 NXUQPWMHPDPMCA-HPRGYZOBSA-N 424.493 5.048 0 1 HKAF endogenous,in-man COc1cc(OC)c(-c2coc3cc(OCc4ccccc4)ccc3c2=O)cc1OC 299840268 WQFGUYZQPKLHQW-UHFFFAOYSA-N 418.445 5.065 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(-c3cccc(-c4ccc(C(C)=O)cc4)c3)nc2c1 586878926 BTCZIIQFDKCQOO-UHFFFAOYSA-N 404.853 5.540 0 1 HKAF Cc1cc2nc(-c3ccc(S(=O)(=O)Nc4cccc(C)c4C)cc3)[nH]c2cc1C 586947622 WNLFYMANVDMXJA-UHFFFAOYSA-N 405.523 5.264 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(-c3cccc(-n4nc(C)c(Cl)c4C)c3)nc2c1 587065180 LHUSDORAWCZOQY-UHFFFAOYSA-N 415.280 5.126 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(Br)c(F)cc2[nH]1 587075087 AWKPARIJKYMLAT-UHFFFAOYSA-N 405.658 5.279 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@](O)(c1cccc(Cl)c1)C3 587103738 KQGOOJWMGARWMH-AREMUKBSSA-N 411.888 5.476 0 1 HKAF O=C1c2ccccc2-c2cc(Cc3ccc(Br)cc3F)nc3cccc1c23 587103880 NUSVOSUPNBJVRL-UHFFFAOYSA-N 418.265 5.939 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c(F)c1 587145454 XDMRZJBBRCLYOI-UHFFFAOYSA-N 416.239 5.744 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)C(C)(C)C 587206080 VAIQOLGFJXYXRQ-HXUWFJFHSA-N 421.541 5.276 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2c[nH]c3ccccc23)(C2CC2)[C@H]1c1ccc(F)cc1 587349873 VXTLTOONUIMIAY-AHWVRZQESA-N 413.448 5.677 0 1 HKAF O=C1c2ccc(O)cc2OC2(CCC(c3ccc(O)cc3)CC2)[C@H]1c1ccc(F)cc1 587351564 IXFBATCYSFHUNZ-WWQKDZJRSA-N 418.464 5.692 0 1 HKAF CCCCOc1ccc(Br)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587377482 MXUSVIOSWMIPAJ-IBGZPJMESA-N 404.304 5.225 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1ccc(Cl)c(F)c1)CC2=O 587466044 JFGOIRVKYVTSBI-QHCPKHFHSA-N 410.872 6.511 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)ccc1Oc1ccc(F)cc1)CC2=O 587466708 MHJPWCJSVCCDBI-QHCPKHFHSA-N 410.416 6.122 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3ccccc3)cc1)CC2=O 587476299 BASBDERDPLGTQJ-SANMLTNESA-N 402.490 5.804 0 1 HKAF O=C1C[C@H](c2c(F)ccc(Cl)c2Br)Oc2c1ccc1c2CCCC1 587509009 VPOPVCGNEMWUGN-MRXNPFEDSA-N 409.682 5.827 0 1 HKAF C[C@@]1(c2c[nH]c3ccc(Cl)cc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552312 PYFBFTPQHSUYSZ-REWPJTCUSA-N 405.837 5.404 0 1 HKAF COc1ccc([C@@]2(CCC(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601904 VOBNRABDNDRXPF-JYFHCDHNSA-N 418.489 5.694 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccs2)s1 587611313 HWIOWFPFEYLDGO-SIKLNZKXSA-N 406.484 5.885 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ccc3cccnc23)N1 587701188 WSHFOIHTEUUOIK-OVWNDWIMSA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CF)(c2ccc(C(F)(F)F)cc2)N1 587710439 CUIPVYNNCGIEGR-QGHHPUGFSA-N 420.219 5.354 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)cc2F)N1 587712981 RLKNDMLNFRIHPH-BCTVWOGZSA-N 406.192 5.370 0 1 HKAF Cc1ccc(C(F)(F)F)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587715218 XHJPRBWTXOIWJX-BTDLBPIBSA-N 402.229 5.539 0 1 HKAF COc1c(F)cc(F)cc1CC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587722566 SQWXZOXAERQDAT-QFYYESIMSA-N 414.265 5.083 0 1 HKAF Cc1cc(C)c(-n2cccn2)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587756331 DBFSDQJQJVVVMA-XOBRGWDASA-N 414.322 5.014 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OC2CCCC2)N1 587810318 KQWUSPZANQEWBS-YEJXKQKISA-N 404.323 5.533 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2ccc(OC(F)(F)F)cc2s1 587871309 SOVDBLKNJYMJQT-UHFFFAOYSA-N 423.391 5.585 0 1 HKAF COc1ccc(C2=NN(c3ccc(-c4ccccc4)nn3)[C@@H](c3ccc(F)cc3)C2)cc1 653713194 AHOUCXPHWRADAL-RUZDIDTESA-N 424.479 5.647 0 1 HKAF Cc1ccc(C)c(-c2n[nH]cc2[C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c1 962697059 HOOSQCWSDYPSCU-MZNJEOGPSA-N 407.558 5.286 0 1 HKAF CCCCC[C@@]1(CP(=O)(OCC)OCC)c2ccc(F)cc2C[C@@H]2CCCN21 963099632 APVADXXAOVYQHJ-RBBKRZOGSA-N 411.498 5.888 0 1 HKAF CC(=CCC(=O)c1ccoc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c3cc(O)ccc3C)C(=O)CC[C@@]12C)C(C)C 2356643101 HIHARYSBUQWZCH-MKZKMFSTSA-N 424.669 7.663 0 1 HKAF CC(C)=CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356705623 XCQNGBGTCUKMDI-JTNIEQBNSA-N 416.646 5.250 0 1 HKAF CC(=O)c1cccc(Nc2nccc3c2cc(-c2cccc(C(F)(F)F)c2)n3C)c1 82084051 MCGYBWYPKMPCTR-UHFFFAOYSA-N 409.411 6.205 0 3 HKAF Cc1ccc(C)n1[C@@H]1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(F)cccc21 206028589 IFZJPEVOAIRWIM-FQEVSTJZSA-N 402.391 5.399 0 3 HKAF CC1(C)C(=O)N(CCCCCCN2C(=O)C(C)(C)c3ccccc32)c2ccccc21 1628991 XIASOSYQSXUUBP-UHFFFAOYSA-N 404.554 5.196 0 1 HKAF CCCCCc1c2c(cc(O)c1C(=O)O)OC(=O)c1c(CCC)cc(OC)cc1O2 14715487 WNDKPNQEXXGRHP-UHFFFAOYSA-N 414.454 5.109 0 1 HKAF biogenic Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(N)ncc2c1 14957108 YEIASMOUYNOXGA-UHFFFAOYSA-N 422.410 5.459 0 1 HKAF in-vivo O=C(O)/C(=C/c1ccc(Oc2c(F)cccc2Cl)cc1)NC(=O)c1ccccc1 28523792 MYJSJBNPBREAIS-UYRXBGFRSA-N 411.816 5.127 0 1 HKAF OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccc3ccccc3c12 40392906 OBLDKFKTBGJWKJ-KMXBQNHCSA-N 417.936 6.254 0 1 HKAF CCOP(=O)(OCC)C(CC(=O)c1ccccc1)P(=O)(OCC)OCC 40801341 TZZPZRZCINCRSS-UHFFFAOYSA-N 406.352 5.118 0 1 HKAF Cc1ccc([C@@H]2C(c3ccccc3)=NO[C@]23CN([C@H](C)c2ccccc2)CCC3=O)cc1 45290020 ZEYVVWHMLSCVKK-RZLJKOCPSA-N 424.544 5.288 0 1 HKAF C[C@H](CCOC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1 49785649 MNMGHGKHINQBJG-QFQXNSOFSA-N 405.582 5.322 0 1 HKAF Cc1cc2c3cc(Cl)ccc3nc(CCc3nc(-c4ccccc4)cn3C)n2n1 66260081 UALLOWFGWAQLRW-UHFFFAOYSA-N 401.901 5.030 0 1 HKAF O=C(N[C@H](c1cccc(Cl)c1Cl)C1CCNCC1)c1ccc2cnccc2c1 72180025 FPARTTUOOZOWFP-NRFANRHFSA-N 414.336 5.012 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCc3cccc(F)c3)ncnc21 82181491 ONHNTRLPIXXVDX-OAHLLOKOSA-N 423.923 5.944 0 1 HKAF FC(F)(F)Oc1ccc(-c2nnc(CCCCc3ccc4cccnc4n3)o2)cc1 95573666 UCRVGGIDZFOMMW-UHFFFAOYSA-N 414.387 5.144 0 1 HKAF Fc1ccc2c(c1)[nH]cc2[C@H]1CC[C@@H](N2CCN(c3cccc4[nH]ccc34)CC2)CC1 101182131 AAURBPVIEGZGKT-KESTWPANSA-N 416.544 5.637 0 1 HKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(OCc2ccc(Br)cc2)nn1 103169638 APEDRJVXVWXVRM-UHFFFAOYSA-N 423.232 5.812 0 1 HKAF CCCCOC(=O)n1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1 103211878 MCHNDZMEVNJZPX-UHFFFAOYSA-N 424.715 6.357 0 1 HKAF COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC(C)C)cc1OC 104071171 DXGZTPCSTSULIG-NRFANRHFSA-N 413.514 5.100 0 1 HKAF Cc1cccc(Cc2n[nH]c3cc(O)c(C(=O)N(C)c4ccc(Cl)cc4)cc23)c1 116964256 OUOMZTCIIWBOIV-UHFFFAOYSA-N 405.885 5.098 0 1 HKAF COc1ccccc1-n1nc(OC2CCSCC2)cc1-c1ccc(Cl)cc1 145367736 BDZDJFPQRUGPOF-UHFFFAOYSA-N 400.931 5.476 0 1 HKAF CC(C)CCC[C@H](C)/C=C\C[C@H](C)CCCC/C=C\CC/C=C\CCCC(=O)O 169636545 PRGDQWKNVBYEKH-GQTJCDKZSA-N 404.679 8.739 0 1 HKAF Clc1ccc(NCc2ccccc2)cc1-c1ccnc2[nH]c(C3CCNCC3)cc12 226054146 XLFWWCFTZXANMY-UHFFFAOYSA-N 416.956 5.962 0 1 HKAF COc1cc2c(c(C)c1-c1ccoc1)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C 238785220 YDLXVDBWQZWRFB-KGZGOHRMSA-N 424.581 5.262 0 1 HKAF Oc1ccc(-c2ccc(OCc3ccc4ncccc4n3)cc2)c(-c2ccccc2)n1 473154657 JVPIKNZSDPNTBW-UHFFFAOYSA-N 405.457 5.643 0 1 HKAF c1ccc(Cn2c(SCc3nc4cc5ccccc5cc4[nH]3)nnc2C2CC2)cc1 586966672 PRZMSATXSOZVOA-UHFFFAOYSA-N 411.534 5.526 0 1 HKAF COc1cc(/C=C/c2nc3cccc(OC(F)(F)F)c3[nH]2)ccc1Br 586977043 MPMLJONQAAUFSZ-SOFGYWHQSA-N 413.193 5.403 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC[C@@](O)(c1cccc(F)c1)C4)-c1ccccc1C2=O 586995137 IWIINGICTOPETP-MHZLTWQESA-N 409.460 5.270 0 1 HKAF Cc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1Br 587005321 SRSIUFAGEOEJIO-UHFFFAOYSA-N 401.489 5.112 0 1 HKAF N[C@@H](Cc1ccccc1Cl)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587058033 BETSTJOSIWVLDM-LBPRGKRZSA-N 407.745 5.496 0 1 HKAF Clc1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2cc1Cl 587060956 RASJZVLTWKMOSW-UHFFFAOYSA-N 424.718 7.405 0 1 HKAF Clc1cccc(COc2ccc(/C=C\c3nc4cc5ccccc5cc4[nH]3)cc2)c1 587069629 FUKKKFXSLAHIKQ-RAXLEYEMSA-N 410.904 7.119 0 1 HKAF Clc1ccc(CC/C(=C\c2nc3cc4ccccc4cc3[nH]2)c2ccccc2)cc1 587074507 YNPYAOHYHFXYPJ-PTGBLXJZSA-N 408.932 7.543 0 1 HKAF CCOC(=O)Cc1nc2c(C)ccc3c2c(c1Cc1ccccc1)-c1ccccc1C3=O 587096766 GXKJBNCRTVEZMA-UHFFFAOYSA-N 421.496 5.451 0 1 HKAF O=C1CCc2cc3nc(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)[nH]c3cc2N1 587110164 OKMOUFYIBXCCLR-UHFFFAOYSA-N 413.321 5.076 0 1 HKAF FC(F)(F)c1cc(CCc2nc3cc4ccccc4cc3[nH]2)cc(C(F)(F)F)c1 587112509 VCUIIEZHVYPKAB-UHFFFAOYSA-N 408.345 6.539 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4cncc(Br)c4[nH]3)ccc2F)cc1 587139252 DWJUPUQNZIVRSB-UHFFFAOYSA-N 410.246 5.396 0 1 HKAF Cc1ccc(-c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)c(F)c1 587146256 GHECGDWFKVCCLF-UHFFFAOYSA-N 413.374 5.949 0 1 HKAF COc1cccc(-c2cc(-c3cc(F)cnc3Cl)nc3c2oc2ccccc23)c1 587360679 RFOIAXUIILBDJV-UHFFFAOYSA-N 404.828 6.511 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1[nH]c1ccc(Br)cc31)O2 587370100 BSOIMNKTWDPQKH-NRFANRHFSA-N 411.299 5.018 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(Br)c(C)c1)[C@@H](C2)C3=O 587411679 FYORYDGDIJJCAJ-KSFYIVLOSA-N 424.294 5.046 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(Cl)cc4)cc4ccccn14)[C@@H](C2)C3=O 587422513 QJHYQOQOQODQJV-NBGIEHNGSA-N 415.876 5.757 0 1 HKAF CCCOc1ccc([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1OCCC 587476692 AHQKSJALHUDOAH-VWLOTQADSA-N 412.526 5.803 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](c3ccccc3)c3ccc(O)cc31)CC2=O 587487276 ZGIAMPPRUZJKHG-UZTOHYMASA-N 414.501 5.837 0 1 HKAF C[C@H](Oc1cccc(C(F)(F)F)c1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587504560 FEZXJPWOHGOJRW-FPTDNZKUSA-N 404.428 5.776 0 1 HKAF C[C@]1(Cn2nc(C(F)(F)F)cc2C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587504617 FPQWYUQFOQBMGS-OAQYLSRUSA-N 404.432 5.082 0 1 HKAF COc1ccc(-c2nc3ccccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587515103 KZKPMDZJTOMGMA-HSZRJFAPSA-N 424.500 5.595 0 1 HKAF Cc1ccc(C(=O)[C@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521270 DXOYEHRGVPNQNV-MUUNZHRXSA-N 410.513 5.926 0 1 HKAF Cc1ccc([C@@H](O)[C@@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587530890 WJSIYRDHRPFXOT-IZLXSDGUSA-N 412.529 5.777 0 1 HKAF C[C@@]1(c2ccc(F)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545698 HECMFOQODGSQAI-NQIIRXRSSA-N 418.342 5.427 0 1 HKAF C[C@@]1(c2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547428 SMAOHWNDGUTEJD-NQIIRXRSSA-N 401.245 5.576 0 1 HKAF C[C@@]1(c2cc(C(F)(F)F)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547970 MLPPRBIPETXFCX-NQIIRXRSSA-N 418.342 5.427 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ccc2cccnc12 587549981 UNBJFYWARHJTCS-XXBNENTESA-N 403.821 5.297 0 1 HKAF C[C@]1(c2ccc3c(c2)Cc2ccccc2-3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601537 GQJQDXGYCBQPAT-LEAFIULHSA-N 420.464 5.840 0 1 HKAF O=Cc1ccc([C@@]2(C3CCCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587602920 LOSNWQCWGCOLFV-ZEQKJWHPSA-N 414.457 5.252 0 1 HKAF CC(C)=CCC/C(C)=C/CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603801 RQRJUFZBXZEUEM-UMZMQYBESA-N 406.522 6.585 0 1 HKAF CC(C)(C)Sc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606534 HXVCXBOYIPJVGS-NFBKMPQASA-N 406.503 5.986 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(Cl)c(Cl)c2)N1 587693299 NDKPXHZCIKFLGH-HYORBCNSSA-N 423.540 6.172 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)c(O)c2Cl)N1 587696371 UBCYNPVIKVTVQA-MLXNANBUSA-N 405.094 5.224 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(Cl)ccc1CC2(C)C 587696533 KUDINSCWKAQFOI-GIPWTMENSA-N 408.742 5.602 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)cc2C(F)(F)F)N1 587714075 UOLOVJCCGCGNHZ-BCTVWOGZSA-N 422.647 5.884 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(C(F)(F)F)cc2)N1 587714369 PNXRNXYHZMRMBK-VOJFVSQTSA-N 416.256 5.599 0 1 HKAF CC[C@]1(c2c(F)ccc(F)c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587717993 MBTCNYCKZCOIPR-LZVRBXCZSA-N 402.229 5.193 0 1 HKAF COc1cc(Cl)cc(F)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587719831 LZPSKHCQJBDANB-CQLKUDPESA-N 402.666 5.013 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2Nc2ccccc2)N1 587749715 QFBQSAKUKPZNCS-YMTYPPQLSA-N 403.339 5.372 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(C3CCCCC3)nc2)N1 587774333 MNOOBHSAAGQMMQ-BUXKBTBVSA-N 404.327 5.050 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OC(C)(C)C)cc2)N1 587795648 RZAXNVXSJPPPBB-ASSNKEHSSA-N 406.339 5.563 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cc3ccccc3)cc2)N1 587814050 FSBGZFDWKXHGBF-VOIUYBSRSA-N 424.357 5.977 0 1 HKAF Cc1ccc(C2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 587816626 BJZCSCXLOOTRFW-RMQYNXQMSA-N 402.351 5.984 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@@](C)(c3ccccc3)CC2)N1 587819848 WVQPQMZUQQPALB-RTOPAQNCSA-N 400.335 5.626 0 1 HKAF CCCC[C@@H]1Cc2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587822957 NRISASAQNHDWNY-UZSYQUHHSA-N 402.351 5.729 0 1 HKAF CC[C@@]1(c2ccc3c(c2)CCCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 587834016 JQWLKZJSLVMCKT-ZSEKCTLFSA-N 404.323 5.101 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=Cc3c(ccc4ccccc34)OC2)N1 587836121 RSDWUVQHERXQEK-JCQPUDPBSA-N 424.313 5.793 0 1 HKAF Cc1nc2scc(C3CC3)n2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587855573 JPEIODSNCWISQJ-VVVCHXIZSA-N 420.351 5.107 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c(/C=C/c3cccc4ccccc34)nc2c1 587968269 MGSUFAMNSVQXGY-ZHACJKMWSA-N 421.294 5.826 0 1 HKAF CC1(C)CCC(C)(C)c2cc3c(cc21)O[C@@H]1CCCC[C@]31c1ccc(C(=O)O)cc1 653737575 GNYIFRIYMYLWAP-KCWPFWIISA-N 404.550 6.355 0 1 HKAF Cc1cccnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 653760592 FHCNCUFMLLANRF-UHFFFAOYSA-N 410.473 5.315 0 1 HKAF Cc1c(F)ccc2c1[C@](CCc1cccc(Cl)c1)(c1cccc(Cl)c1)NCC2 962303997 YUMRQPGSFZCDPA-DEOSSOPVSA-N 414.351 6.463 0 1 HKAF Clc1ccc2nc(Cl)c([C@H]3NCCc4cccc(-c5ccccc5)c43)cc2c1 962663932 FDGYZMYNPXQWKE-HSZRJFAPSA-N 405.328 6.444 0 1 HKAF Fc1ccc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c(OC(F)(F)F)c1 962697868 IGLAJTMAGQHSCP-DJJJIMSYSA-N 415.427 5.316 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(Cl)nc2)(c2ccc(C)c(C)c2)N1 962955366 SASKXAJRSDVTKU-FQRUVTKNSA-N 415.968 6.049 0 1 HKAF CC(C)(C[C@]1(c2ccc3ccccc3c2)c2ccc(F)cc2C[C@@H]2CCCN21)C(=O)O 963113009 YIMJYRSYYXOBME-HOFKKMOUSA-N 417.524 5.744 0 1 HKAF Cc1cccc([C@@]2(CCc3ccc(Cl)cc3)NCCc3c(C(=O)O)cccc32)c1C 963129533 GORPTIYVOWYIEV-AREMUKBSSA-N 419.952 5.677 0 1 HKAF CN1CCc2c(Br)cccc2[C@]1(Cc1cccs1)c1cccs1 963281666 UNQQPARSSXPWSP-LJQANCHMSA-N 404.398 5.546 0 1 HKAF CS(=O)(=O)c1ccc(C(CCCCO)=C(c2ccccc2)c2ccccc2)cc1 1857596193 UAZKUHQJWPGNSK-UHFFFAOYSA-N 406.547 5.212 0 1 HKAF ClC1=C(c2cn(Cc3ccccc3)nn2)CCc2nc(-c3cccs3)ccc21 1857614344 CTBGHWROCJPDCD-UHFFFAOYSA-N 404.926 5.503 0 1 HKAF CCN(CC)S(=O)(=O)c1ccc(/C=C/c2nc3ccccc3s2)cc1Cl 1857767328 HRFFNMPZHXTZED-ZRDIBKRKSA-N 406.960 5.151 0 1 HKAF Cc1cc(O)c(C)c2c1O[C@H](C)[C@H](CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C2 2356329199 XLZYQCZUAFIJEN-KXTAGPOFSA-N 416.690 8.388 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@@]4(C)C3=CC[C@]21C)C(C)C 2356747748 UZUFWBGYKVBHGD-DDJQIDCFSA-N 408.670 7.785 0 1 HKAF CC(C)c1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(F)cc4F)C3)n2)cc1 1359947 LPKNTXMKEYFBRX-KRWDZBQOSA-N 411.452 5.158 0 3 HKAF Cc1cnc(C(=O)N(c2ccccc2)[C@H](c2ccccc2)c2nc3ccccc3[nH]2)cn1 95571131 XQIPCVSALJPSOT-XMMPIXPASA-N 419.488 5.098 0 3 HKAF Cc1cc(C)c2c(N)c(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)sc2n1 878217 ICJFOGAPGMWJDI-UHFFFAOYSA-N 414.943 5.525 0 1 HKAF Cc1ccc2c(c1)C(N1CCN(c3cccc(Cl)c3)CC1)=Nc1cccnc1N2 13492073 VSZCYXNJLHHRIN-UHFFFAOYSA-N 403.917 5.001 0 1 HKAF Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cc(N)ccn3)sc2c1 13536577 YUSYZALCKIJCIH-UHFFFAOYSA-N 409.902 5.231 0 1 HKAF Nc1ccccc1NC(=O)CCCCCCC(=O)c1ccc(Br)cc1 13588610 RLHZOVXEQYQILL-UHFFFAOYSA-N 403.320 5.193 0 1 HKAF CCN(CC)C(=O)/C=C(\C)c1ccc(O[C@@H](C)c2ccccc2)c(CCC(=O)O)c1 13782720 PIZMCCZVZJVIPB-YMIFCHIISA-N 409.526 5.116 0 1 HKAF Clc1ccc([C@@H](OC[C@@H]2CCCN2CCc2ccccc2)c2ccccc2)cc1 27195138 FWLUOMHGUIZGMY-UIOOFZCWSA-N 405.969 6.153 0 1 HKAF CC(=O)N1c2ccccc2S[C@@H]1c1ccc(OCCCN(C)C2CCCCC2)cc1 28003697 SFTSVLOVPMWBPN-RUZDIDTESA-N 424.610 5.877 0 1 HKAF Fc1ccc2[nH]cc(CCNC[C@H]3CN(c4ccccc4)c4ccccc4O3)c2c1 28571774 NRBFTMKCXJZQSW-NRFANRHFSA-N 401.485 5.038 0 1 HKAF CCCCCCc1nccn1Cc1ccc(NC(=O)c2ccccc2C(=O)O)cc1 28761649 XHQPJJLKSRIFPV-UHFFFAOYSA-N 405.498 5.005 0 1 HKAF Nc1nccn2c(C3CCC3)nc(-c3cccc(OCc4ccc(F)c(F)c4)c3)c12 28885445 FIBLFKBOXDHFCC-UHFFFAOYSA-N 406.436 5.103 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1cc([C@H]2COc3cc(O)cc(O)c3C2=O)c(O)cc1O 38653500 WHMBQYBYAQQJRN-ZSTKBLHXSA-N 424.493 5.103 0 1 HKAF COc1ccc(C[C@@H](c2ccccc2)N2CCN(C3CCCCCCC3)CC2)cc1 39233842 JXZKLGKBVMTRSO-MHZLTWQESA-N 406.614 5.710 0 1 HKAF CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(-c2ccc(F)cc2)nc2ccc(OC)cc12 45187830 FBDKIDHZHWWMNH-IWDAMJOHSA-N 420.528 5.203 0 1 HKAF O[C@@H](CNc1ccnc(Nc2ccc(Cl)cc2)n1)c1cccc(C(F)(F)F)c1 45321701 CBFWRSTXKPXFQC-INIZCTEOSA-N 408.811 5.038 0 1 HKAF O=C(CCc1ccccc1)N1CCc2c([nH]c3ccccc23)[C@H]1COc1ccccc1 45350999 HYCZJIMJYWGICC-RUZDIDTESA-N 410.517 5.306 0 1 HKAF O=C(NCCCCc1ccc(-c2ccccc2)cc1)Oc1cccc(-c2ccccc2)c1 45498558 PQEPVNTUTRHZCM-UHFFFAOYSA-N 421.540 7.132 0 1 HKAF CCOC(=O)COc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 84670283 RWJVRJKCLNXQPO-UHFFFAOYSA-N 424.500 5.771 0 1 HKAF O=C(O)CC/C=C/C[C@H](CCCCCC[C@@H]1C=C(CO)CC1)Cc1ccc(O)cc1 85489237 QAMRKKHMHVUAKC-KEENAYDUSA-N 414.586 6.031 0 1 HKAF biogenic,in-vitro COC1=CC2=C(C(C)=N[C@@H](C)C2)[C@H](OC)[C@H]1c1c(C)cc2cccc(OC)c2c1O 95486021 DKQZXYATHVVDTH-NRSLUSSRSA-N 407.510 5.055 0 1 HKAF biogenic,in-vitro CCOc1ccc(Nc2nnc3cc(-c4cc(OC)cc(OC)c4)cc(C)c3n2)cc1 96167702 YVVBCSYTBZHHQG-UHFFFAOYSA-N 416.481 5.160 0 1 HKAF COc1ccc(-c2cc([C@H]3[C@@H](c4ccc(Cl)cc4)C[C@H]4CC[C@H]3N4C)on2)cc1 101165925 MZBDCJWEXVZTQQ-YWWGLXIYSA-N 408.929 5.738 0 1 HKAF COc1ccc([C@@H]2C(c3ccc(C)cc3)=NO[C@@]23CSc2ccccc2C3=O)cc1 103190445 FPNROPGTFZXYHT-RDGATRHJSA-N 415.514 5.249 0 1 HKAF Clc1ccccc1N1[C@H](c2ccccc2)[C@@]12C(c1ccccc1)=Nc1ccccc12 103276056 ASEADESIJRXCAJ-KXNYULQOSA-N 406.916 6.931 0 1 HKAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2C)C2=C(O)CC(C)(C)CC2=N1 103996764 MVNAMFJTUFTLRL-JTSKRJEESA-N 409.526 5.162 0 1 HKAF CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccccc2Cl)C2=C(O)CCCC2=N1 104697215 FEWKVXNQDZGLFR-NRFANRHFSA-N 410.876 5.926 0 1 HKAF COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OC1CCCC1 114821482 VOQVXZHQBTXEHV-UHFFFAOYSA-N 404.297 6.010 0 1 HKAF CN(C)CCOc1ccc2c(c1)C(c1ccccc1)=C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 169319014 CTUCORFPAVOSLU-RFSBGUOESA-N 417.593 5.343 0 1 HKAF C[C@H]1[C@H]2Cc3ccc(I)cc3[C@@]1(C)CCN2Cc1ccccc1 169338745 KAICFMDUDWIURZ-RVHYNSKXSA-N 417.334 5.016 0 1 HKAF CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1ccc2cn[nH]c2c1 205113358 KZGYPFONPYMBIF-UHFFFAOYSA-N 400.511 5.799 0 1 HKAF CC1=C(CC/C(C)=C\CCC2=CC[C@H](C3=CC(=O)OC3)O[C@H]2O)C(C)(C)CCC1 238745240 SFCKEJIXMBMGDU-APVGEPRFSA-N 400.559 5.537 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2C3=C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255202016 CGIQOEIJAPKYHG-HGLQIRJESA-N 418.662 5.474 0 1 HKAF C[C@H]1C[C@@H]1c1cc(NC(=O)Nc2ccc(C(F)(F)F)cc2)n(CC(F)(F)F)n1 299829176 TZRXUBZFLCGBEA-CABZTGNLSA-N 406.330 5.232 0 1 HKAF FC(F)(F)c1ccc(Oc2ccc(-c3noc(-c4ccc5[nH]ccc5c4)n3)cc2)cc1 299868865 SMSANHUIXYNRJS-UHFFFAOYSA-N 421.378 6.696 0 1 HKAF Nc1cc(-c2ccc(Cl)cc2)nn1-c1nc2ccccc2nc1Cc1ccccc1 473113673 JWHWJCGVBBDUFE-UHFFFAOYSA-N 411.896 5.309 0 1 HKAF Oc1ccc(-c2ccccc2-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 586898769 NXYXKLDJYVLHRI-UHFFFAOYSA-N 401.210 5.643 0 1 HKAF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3ccoc3C3CC3)[nH]c2c1 586901836 OTMYMEBJMJLTTO-UHFFFAOYSA-N 413.886 5.155 0 1 HKAF Brc1cc2nc(CCc3cc4ccccc4o3)[nH]c2cc1Br 586904232 TZPHPJNZBWKXDC-UHFFFAOYSA-N 420.104 5.619 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(C(C)(C)C)nc2[nH]1 587033830 BLUHELAOBUBHAP-OAHLLOKOSA-N 406.555 5.741 0 1 HKAF FC1(F)Oc2cc3nc(CCN4c5ccccc5Sc5ccccc54)[nH]c3cc2O1 587040996 RTPLBPRQNYHCPA-UHFFFAOYSA-N 423.444 5.730 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c2)c1 587048402 AHYVAEXCYIYDKM-UHFFFAOYSA-N 418.777 6.521 0 1 HKAF N=c1[nH]c2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc-2c(Cl)[nH]1 587069574 KVMGZDKDHYMXTL-QINSGFPZSA-N 410.308 5.197 0 1 HKAF CC(C)Oc1cc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1Br 587070803 UIECJSHOFLEYLN-CYBMUJFWSA-N 422.754 5.051 0 1 HKAF CCS(=O)(=O)c1ccc2nc(-c3c(C)cccc3-c3ccc(Cl)cc3)[nH]c2c1 587074138 QQSXDTAXYDMYPJ-UHFFFAOYSA-N 410.926 5.652 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]3c1ccc(Br)cc1 587101793 MRZPOZHKDYSYII-GOSISDBHSA-N 412.286 5.897 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C(I)=CCC3 587104679 USLMEWWBOBXFEX-UHFFFAOYSA-N 409.226 5.168 0 1 HKAF Fc1ccc(-c2ccccc2-c2nc3c(Cl)c(Br)cnc3[nH]2)cc1F 587145792 QWTNHGCUEZCJCQ-UHFFFAOYSA-N 420.644 5.986 0 1 HKAF CC(C)COc1cc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2cc1Br 587160962 JEKJGAYVBACJDS-GJZGRUSLSA-N 403.295 5.770 0 1 HKAF COc1ccc(NC(C)(C)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 587201184 JEEFMPAWVRMIKO-UHFFFAOYSA-N 417.353 5.956 0 1 HKAF O=C1c2ccccc2-c2cc(CS(=O)(=O)c3ccc(Cl)cc3)nc3cccc1c23 587209917 WZGWRCAPYXRKLY-UHFFFAOYSA-N 419.889 5.074 0 1 HKAF Fc1ccc(Oc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)c(Br)c1 587213454 SPVSRLHOPUUANH-UHFFFAOYSA-N 420.281 6.694 0 1 HKAF COc1ccccc1Nc1ccccc1-c1nc2ccc(Br)c(F)c2[nH]1 587241315 TXLPBBBOWVCTRL-UHFFFAOYSA-N 412.262 5.884 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCOc3ccc(F)cc32)[C@H]1c1ccc(F)cc1 587329645 DBONYKXGBVICGW-UPVQGACJSA-N 408.400 5.097 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CC[C@@H](Cc3ccccc3)C2)[C@@H]1c1ccc(F)cc1 587353795 OZPYFSKKHJLIFY-FODJJAHYSA-N 402.465 5.672 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(SC)cc2CC3)c1 587365546 NDZJFWAWMNVCBW-UHFFFAOYSA-N 423.537 7.144 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OCc4ccccc4)c(F)c1)[C@@H](C2)C3=O 587426876 QTPAPVVPXAQANU-UQBPGWFLSA-N 404.437 5.076 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)cc(CN3CCCC[C@@H]3C)c1C)CC2=O 587476601 QAEUPYRDXKMBDS-HFJWLAOPSA-N 421.581 6.042 0 1 HKAF CCOC(=O)[C@H](CC)[C@@]1(c2cccc(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587527544 WLVMDNXDUZGRJB-NVQXNPDNSA-N 422.521 5.024 0 1 HKAF C[C@@]1(c2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547430 SMAOHWNDGUTEJD-RXVVDRJESA-N 401.245 5.576 0 1 HKAF CCOc1ccc(OCC)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587594715 HZLKYDRLPQGZMQ-DHLKQENFSA-N 420.461 5.067 0 1 HKAF COc1cccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 587599624 GZAUHLZJMQCQKH-SHQCIBLASA-N 424.452 5.771 0 1 HKAF CC(C)[C@@H]1CCc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587601993 GNPJMMPZRITPDG-CZZAQMAHSA-N 400.474 5.468 0 1 HKAF Fc1ccc2[nH]c(-c3ccccc3)c(Nc3ccc(Br)cc3)c2c1Cl 587627899 CJLDXIMETVFXCF-UHFFFAOYSA-N 415.693 7.134 0 1 HKAF Fc1cc2c(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]c2cc1Cl 587628039 FTROXPWQXBNPEU-UHFFFAOYSA-N 400.678 7.057 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C)c2ccc(C(F)(F)F)cc2)N1 587712907 MBCHYPPEWVYEEC-PJYBLOJUSA-N 416.256 5.986 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2F)N1 587719765 QOHMRHIFAKHGMM-BCTVWOGZSA-N 417.091 5.113 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccs3)cc2F)N1 587726074 UEZOIYQTEFKLOY-BIBXISHDSA-N 420.322 6.079 0 1 HKAF Cc1ccc(-c2nc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)co2)cc1 587772327 FMMBXOSENDBCSP-CWTRNNRKSA-N 401.279 5.175 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(O)c3)cc2)N1 587833692 OWTPZTSXLFARHW-WHEQGISXSA-N 412.302 5.584 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2SC(C)(C)C)N1 587839936 JGQQYORAADTLJY-CWTRNNRKSA-N 408.380 6.102 0 1 HKAF Cc1ccccc1-c1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587855363 VEAZWXJBMSOMGR-CWTRNNRKSA-N 417.347 5.644 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 587858122 CYBCIHDTTBBAPS-BEFAXECRSA-N 407.341 6.134 0 1 HKAF COc1ccc(-c2ccc(-c3nc4ccc(OC(C)C)cc4[nH]3)c(O)c2)cc1OC 587926651 KRCNBUFHELOQLF-UHFFFAOYSA-N 404.466 5.407 0 1 HKAF COc1ccc2cc([C@@H](C)c3nc4cccc(OCc5ccccc5)c4[nH]3)ccc2c1 587935993 YFYKTEOXVKHRCN-GOSISDBHSA-N 408.501 6.456 0 1 HKAF COc1ccc(C2(c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)CC3(CCC3)C2)cc1 587936405 KZCVMDDJBWIIEJ-UHFFFAOYSA-N 420.862 6.494 0 1 HKAF O=C(OCc1ccccc1)c1c(F)ccc(-n2c(O)cc(-c3ccccc3)c2O)c1F 587943482 DXCPSOPYJVPCTI-UHFFFAOYSA-N 421.399 5.191 0 1 HKAF Oc1c(Br)ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587949889 MENRSERLOYHJSR-RAXLEYEMSA-N 407.267 5.994 0 1 HKAF COc1ccc(-c2cc(C(=O)N[C@@H](C)c3cccc4ccccc34)co2)cc1OC 621431037 HVUWXPIHCDRHRX-INIZCTEOSA-N 401.462 5.608 0 1 HKAF Cc1ccc(Sc2nc3sccn3c2[C@H]2NCCc3cc(C)c(F)cc32)cc1 962298504 MKPFGGSIASSSPM-IBGZPJMESA-N 409.555 5.538 0 1 HKAF CC[C@]1([C@@H](C)c2ccccc2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962925096 PMPOSDBUVWSPIC-CNBSGPCYSA-N 417.505 5.192 0 1 HKAF COc1cccc2cc3c(nc12)[C@](c1ccsc1)(c1ccc(C)c(C)c1)NCC3 963063016 YUGCCPKNDWTZGU-RUZDIDTESA-N 400.547 5.359 0 1 HKAF O[C@@H](c1cccnc1-c1cc(Cl)cc(Cl)c1)[C@@H](c1cccnc1)c1ccccn1 1772627638 ZDWRNJFIXZYBEH-GMAHTHKFSA-N 422.315 5.711 0 1 HKAF CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OC)NC(=O)[C@@H](N)C(C)C 1772630987 AKDXWLXJQATYJF-OYYXIECASA-N 410.643 5.275 0 1 HKAF COc1ccc2c(CN3CCC(F)(F)[C@H](CCc4ccccc4F)C3)c[nH]c2c1 1772646387 HLMGMHBIOBCBDL-GOSISDBHSA-N 402.460 5.406 0 1 HKAF Clc1cccc(C[C@@]2(COc3ccc4c(c3)[nH]c3ccccc34)CCCNC2)c1 1857550993 BUMABZFDIYXNFN-VWLOTQADSA-N 404.941 5.966 0 1 HKAF Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1-c1ccnc(NC(=N)N2CCCC2)n1 1857651799 NICWWTTYPUNHPT-UHFFFAOYSA-N 420.586 5.315 0 1 HKAF O=C(Cc1ccc(SC(F)(F)F)cc1)Nc1ccc(SC(F)(F)F)cc1 1857774973 PHDSXBSPLSVJEN-UHFFFAOYSA-N 411.392 6.092 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC(C)(C)[C@@H]2CC=C(C)[C@@H](CCC(C)=CC(=O)O)[C@]2(C)C1 2356416202 LEMSFGHOXFQURQ-HSGJQSDISA-N 402.575 6.084 0 1 HKAF CC(=CC=C[C@H](C)C[C@@H]1OC(=O)C(C)=C1O)CCC[C@H](C)CCCc1ccoc1 2356573991 JIGKBJFCEWMJSB-JTAQYXEDSA-N 400.559 6.695 0 1 HKAF CC(=Cc1csc(C)n1)[C@H](O)CC=CCCC[C@H](C)[C@@H](O)[C@H](C)C(=O)C(C)C 2356639748 BUXAQZMQSTYYQK-OHVLKYKYSA-N 407.620 5.191 0 1 HKAF O=C(OCc1c(-c2ccccc2)ncc2ccccc12)c1ccc(Br)cc1 36388727 PBYPBQFMOVVJSP-UHFFFAOYSA-N 418.290 6.021 0 3 HKAF COc1cccc(NC(=O)N2Nc3ccc(OC)cc3[C@@H]2CCc2ccccc2)c1 221405372 ACICHZPJTXGPCY-QHCPKHFHSA-N 403.482 5.252 0 3 HKAF COc1ccc(-c2c(O)oc3c(CC=C(C)C)c4c(cc3c2=O)CCC(C)(C)O4)cc1 4175651 RHTDUAVQLTUWGH-UHFFFAOYSA-N 420.505 5.787 0 1 HKAF in-vitro O=C1[C@H](c2ccc(Br)cc2)N(c2ccccc2)C(=O)N1c1ccccc1 13680128 SINARDTVFAFNRL-IBGZPJMESA-N 407.267 5.164 0 1 HKAF C[C@@H](c1cccnc1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 13738232 GGZAITKMWJGLGW-SFHVURJKSA-N 415.968 5.888 0 1 HKAF COc1cccc([C@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)c1 13741237 JUKIMUWEPBMDHU-MHZLTWQESA-N 421.540 5.927 0 1 HKAF CCn1c(=O)n(CC)c2cc(-c3cc(-c4cccnc4)[nH]c3-c3cccc(C)c3)ccc21 14958533 MDVMSTXWVSRIRV-UHFFFAOYSA-N 422.532 5.875 0 1 HKAF N=C(N)c1ccc2cc([C@H]3C[C@@H]3c3ccc4c(c3)C(c3ccccc3)=NCC4)ccc2c1 28366417 ALVYBVAQSFMTGH-CLJLJLNGSA-N 415.540 5.788 0 1 HKAF O=C(NCC1CCCCC1)c1cc(Cl)ccc1NC(=O)c1cccc2ccccc12 35933497 PAGJVMXPAPTXRG-UHFFFAOYSA-N 420.940 6.056 0 1 HKAF Clc1cccc(CN[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 40690182 OSCUVIRCTXFEQR-SVBPBHIXSA-N 416.996 5.725 0 1 HKAF COc1ccc([C@](C)(F)C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 40896092 DDAIJXKHFPVBNX-JBACZVJFSA-N 410.455 5.025 0 1 HKAF Cc1nc2c3c(c(C(=O)Nc4ccccc4)cn2c1C)CC[C@]1(CCc2ccccc21)O3 40933495 LVJLGZMZGUAMKX-MHZLTWQESA-N 423.516 5.370 0 1 HKAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@H](C)CCCC(C)C)c2)[nH]1 40934947 HOKNJZWOUSWNLR-MRXNPFEDSA-N 412.578 6.626 0 1 HKAF CN1C(=S)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCCC(=S)O5)[C@@H]3CC[C@@H]12 49017368 OELMHHVRXAJHFE-FBOHDOJTSA-N 405.673 5.917 0 1 HKAF CN(CC1(c2ccc(F)cc2)CCCCC1)C(=O)C1CCN(Cc2ccccc2)CC1 72113206 AAODAPWBBKJMEX-UHFFFAOYSA-N 422.588 5.398 0 1 HKAF CC1=Nc2ccc(Cl)cc2[C@H](c2ccccc2)N1Cc1ccc(C(F)(F)F)cc1 72123220 LWVKNDINLFIXAJ-QFIPXVFZSA-N 414.858 7.014 0 1 HKAF CC(C)c1cccc2cc[n+](C)c(CCCc3c4c(C(C)C)cccc4cc[n+]3C)c12 73129544 FIUWYIYFUPSRSD-UHFFFAOYSA-N 412.621 6.064 0 1 HKAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc4c(c3)OCCCC4(C)C)C2)cc1 96172861 YPWSWFFAZGKUAT-GOSISDBHSA-N 407.554 5.487 0 1 HKAF COC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C[C@H]2CC[C@H]1N2CCCCCc1ccccc1 100793261 FZUMFPXNHOWEJA-ZGFBMJKBSA-N 409.545 5.348 0 1 HKAF C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118915296 CQSRUKJFZKVYCY-IYGRKUFDSA-N 414.718 8.025 0 1 HKAF in-vitro Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc(Cl)c(N)c2)n1 142424853 IRKSIVJLPYEOTE-AWEZNQCLSA-N 418.932 5.261 0 1 HKAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)Oc1ccc(C(=O)O)cc1 143822250 BYQMQHNNJXDZRO-HZJYTTRNSA-N 400.559 7.104 0 1 HKAF CC/C=C/C/C=C/C/C=C\C/C=C\C/C=C/CCCCCC(=O)OC[C@@H](O)CO 169364405 IDSLCYURGAOTOA-MKUKRNPASA-N 404.591 5.585 0 1 HKAF CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1nc2cc(C)ccc2n1C 169722387 DGMFFGXXSQCNDK-RTWAWAEBSA-N 424.335 5.864 0 1 HKAF Clc1ccccc1C1=N[C@@H](c2ccccc2Cl)[C@@H](c2ccccc2Cl)N1 196696809 QSALGYCCMIFBGI-BGYRXZFFSA-N 401.724 6.479 0 1 HKAF CNc1cc2nc(C)c(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)cc2cn1 204946372 KKEKAJKLZLESSB-UHFFFAOYSA-N 423.536 5.652 0 1 HKAF CC[C@H](NC(=O)c1ccc2c(ccn2CCc2cccc(Cl)c2)c1)c1ccccc1 206009325 CZBWXNROPZWNRN-DEOSSOPVSA-N 416.952 6.419 0 1 HKAF Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc(-c2ccccc2)n1Cc1ccc(Cl)cc1 261161897 RAHLSSRKGVUWGG-ZCVJKFOLSA-N 418.968 6.084 0 1 HKAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3cccc4c3CCCN4)CC[C@@H]12 299822533 AVMDGJULAFJFTD-NFWXZDGASA-N 417.593 6.399 0 1 HKAF O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CC[C@H](OCc2ccc(F)cc2)CC1 299845547 BYJYRMUQWPPTFT-UAPYVXQJSA-N 410.411 5.494 0 1 HKAF CCN(CC)CCOc1ccc(NC(=O)c2cccc(-c3cccc(O)c3)c2)cc1 299859004 VDQDFSBPMTYFPX-UHFFFAOYSA-N 404.510 5.032 0 1 HKAF CCCOc1ccc2c(c1)-c1ccccc1[C@H]2N1CCN(C(=O)c2ccccc2)CC1 473104258 OYSLUZWQGDBPPR-AREMUKBSSA-N 412.533 5.003 0 1 HKAF FC(F)(F)Oc1cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2cc1Br 586883300 AMBHLMLUMFGCPB-SGTLLEGYSA-N 423.232 5.596 0 1 HKAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 586915639 GHSALYKCQMXHDR-DJJJIMSYSA-N 419.706 5.195 0 1 HKAF CCOc1cc(/C=C\c2nc3cc4ccccc4cc3[nH]2)cc(Br)c1OC 586976552 ATUHQPPAYAEZHM-HJWRWDBZSA-N 423.310 6.056 0 1 HKAF CN(Cc1ccccc1)[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586988297 IIXGSVPSUPSTOQ-SFHVURJKSA-N 420.512 5.141 0 1 HKAF COc1cccc(-c2ccc(-c3nc4ccc(C(=O)N(C)C)cc4[nH]3)c(Cl)c2)c1 587052430 SYMPREYULGUJJW-UHFFFAOYSA-N 405.885 5.261 0 1 HKAF O[C@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccccc1Cl 587059586 SLLOJPMWVJNIPG-ZDUSSCGKSA-N 405.601 5.079 0 1 HKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(SC(F)(F)F)ccc2[nH]1 587066189 HYPXXVMDHXRTIN-UHFFFAOYSA-N 407.848 6.594 0 1 HKAF O=C(O)Cc1c(-c2ccc(F)c(F)c2)nc2cccc3c2c1-c1ccccc1C3=O 587104636 ZSXKLQKKOFXUCW-UHFFFAOYSA-N 401.368 5.019 0 1 HKAF CC(C)(C)OC(=O)N1CCCc2c(nc3cccc4c3c2-c2ccccc2C4=O)CC1 587107504 TVZMHBOUNNTYTF-UHFFFAOYSA-N 414.505 5.172 0 1 HKAF Fc1cc(Cl)cc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc12 587114443 UEFQCNXQXYMJNW-UHFFFAOYSA-N 406.766 6.834 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)ccc2F)cc1 587139516 MXVYFKDVFIBRCT-UHFFFAOYSA-N 414.415 5.563 0 1 HKAF Nc1ccc(-c2ccc3nc(-c4ccccc4-c4ccc(F)c(F)c4)[nH]c3c2)cc1N 587145605 NXUDDSNZGSXLMW-UHFFFAOYSA-N 412.443 6.007 0 1 HKAF Fc1ccc(/C=C\c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(F)c1 587147604 AERDIEFOEQOLGE-RQOWECAXSA-N 403.148 5.793 0 1 HKAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587149606 HWPISSHGMYXBPM-SSDOTTSWSA-N 421.163 5.762 0 1 HKAF Fc1ccc(/C=C(/c2nc3cc(Br)ncc3[nH]2)c2cccs2)cc1 587162510 CIABDPKRBRJFHQ-MDWZMJQESA-N 400.276 5.510 0 1 HKAF COc1c(F)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F 587328636 BQEVNTOHRZNKSO-NZQKXSOJSA-N 414.379 5.092 0 1 HKAF C[C@]1(c2c(F)cc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337390 VKPKNFQBAQPFCZ-UGKGYDQZSA-N 418.798 5.737 0 1 HKAF CC[C@@]1(c2ccc(N(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338619 QRFKOWGKQXWUSS-ZCYQVOJMSA-N 405.469 5.262 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CSCCc3ccccc32)[C@H]1c1ccc(F)cc1 587376399 XKSPLEBYVNYOCH-UPVQGACJSA-N 406.478 5.075 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1Cl)(c1cccc3ccccc13)O2 587379534 VMZAOKSMDVXRRR-SANMLTNESA-N 413.904 6.293 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C(=O)OC(C)(C)C)c3ccc(C)cc13)O2 587390772 NYBVFYHWNYXCNQ-NRFANRHFSA-N 406.482 5.330 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(=O)c3ccc(C)c(C)c3)cc1)O2 587399754 JWMJHOZGKJBKII-RUZDIDTESA-N 415.489 5.162 0 1 HKAF COc1ccc([C@@]2(c3ccccc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587418033 GPOZCVKRAFUGRJ-DVECYGJZSA-N 406.865 5.048 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)([C@@H](C)Oc1ccc(-c4ccc(C)cc4)cc1)[C@@H](C2)C3=O 587439124 JMODISPJLMABQZ-YICQYGDHSA-N 414.501 5.644 0 1 HKAF O=C1C[C@H](c2cc3ccccc3nc2N2CCCCC2)Oc2c1ccc1c2CCCC1 587514758 OSRUQGZYKZLUCG-RUZDIDTESA-N 412.533 5.810 0 1 HKAF C[C@H]1CCCCN1CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587517919 XERLFDRRRSKEAY-AFMDSPMNSA-N 419.565 5.525 0 1 HKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccccc1N[C@H]2c1ccccc1 587523113 GYRZYFIACQRUFB-BDYUSTAISA-N 409.485 5.319 0 1 HKAF COc1cc(OCc2ccccc2)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587523598 KXFRLYKQWCGMMG-AREMUKBSSA-N 414.501 5.860 0 1 HKAF CC(C)Oc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587541628 GFVHCTVSFUTBSX-URXFXBBRSA-N 424.880 5.710 0 1 HKAF COc1c(C)cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587546308 QEUYSTUHXGMFIJ-CVDCTZTESA-N 410.853 5.240 0 1 HKAF CCc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587576861 LAVGDZOJZBWMPC-BVAGGSTKSA-N 411.457 5.448 0 1 HKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccco1 587579154 SSKZJESOXMCNTA-RCZVLFRGSA-N 415.445 5.155 0 1 HKAF CCCCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587593836 FEKDJAFYBXZRBR-RCZVLFRGSA-N 404.462 5.448 0 1 HKAF CCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CC 587595933 LZYDVAOBCXCASN-DHLKQENFSA-N 404.462 5.446 0 1 HKAF FC(F)(Cl)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cc1ccccc1 587622094 XASUUGKJBKGSNG-UHFFFAOYSA-N 410.649 5.686 0 1 HKAF CCOC(=O)c1ncn(-c2c(-c3ccc(Cl)cc3)[nH]c3ccc([C@H](C)CC)cc23)n1 587641596 NENHQXAUASTABX-CQSZACIVSA-N 422.916 5.759 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(Cl)c2Cl)N1 587692678 LGYJUAQXOGJMJB-VGDKGRGNSA-N 405.094 5.224 0 1 HKAF CCCOc1ccc(CC)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587798166 XTVZRKPUBYTVLU-LRTDBIEQSA-N 406.339 5.563 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3cc(O)ccc3c2)N1 587832876 KZHQXJAMEIKFOF-XUSGNXJCSA-N 400.291 5.245 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cnc(Br)cc4[nH]3)cc2)cc1OC 587928331 DDTTWHYFUHYASB-UHFFFAOYSA-N 410.271 5.072 0 1 HKAF COc1ccc(/C=C\Cc2nc3cc(Cl)cc(Br)c3[nH]2)c(OC)c1 587929620 OCJMARJKUGZTGF-ARJAWSKDSA-N 407.695 5.252 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c2C)c(OC)c1 587930730 UXEZUMZJWJBPRF-UHFFFAOYSA-N 416.477 5.384 0 1 HKAF Cc1cc(-c2nc3ccc(C(F)(F)F)cc3s2)ccc1-n1nnc2ccccc21 653899320 WBDGUBKUZFKKFK-UHFFFAOYSA-N 410.424 6.024 0 1 HKAF CC1=C[C@]2(c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c2cc(F)ccc2O1 962635534 IGYOZRSKPSJEGC-KCWPFWIISA-N 412.508 5.112 0 1 HKAF Cc1cc(CN2CCCC[C@H]2C)c(C)c([C@H]2NCCc3cccc(-c4ccccc4)c32)c1 962668802 XZFIJOKDTYNBMN-YKGWIAGDSA-N 424.632 6.580 0 1 HKAF FC(F)(F)c1cccc2c1[C@]1(CCCc3cccc(Cl)c31)NCC21CCOCC1 962948554 AOTGIUWDEDVCRE-JOCHJYFZSA-N 421.890 5.590 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(Cl)cc2)(c2cccc(C)c2)N1 962955468 MOBZGYXLMKHVBJ-HFZDXXHNSA-N 400.953 6.346 0 1 HKAF O=C(O)c1cc(-c2ccc([C@@H]3c4c(F)cccc4C[C@H]4CCCN34)o2)ccc1Cl 963098424 GRMYZTIVAYFUNX-IVZQSRNASA-N 411.860 5.547 0 1 HKAF CN1CCc2c(Br)cccc2[C@@]1(c1c(F)cccc1Cl)C(F)(F)F 963279027 FAIMTUSWTHOUEA-MRXNPFEDSA-N 422.647 5.535 0 1 HKAF FC(F)(F)c1ccnc(Nc2cc(OC3CCNCC3)cc(-c3ccccc3)c2)n1 1772573136 KGQYHDBMBYDVPT-UHFFFAOYSA-N 414.431 5.037 0 1 HKAF COc1ccc(Cl)cc1-c1cccc([C@@H](CC(=O)O)c2nc(C)c(C)s2)c1 1772615331 PQQQPMAQRRRTBF-GOSISDBHSA-N 401.915 5.696 0 1 HKAF Clc1ccc(C2=C[C@H](c3ccc(Cl)cc3)c3c(ccc4ccccc34)O2)cc1 1857602400 KNQUQIXUBSCZED-JOCHJYFZSA-N 403.308 7.712 0 1 HKAF C[C@H]1CN=C([C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)CC1=O 2356574592 FWDBSMPALVRXCP-FUMIGEGXSA-N 413.646 5.692 0 1 HKAF CC(C)=CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CCC(C)=CCO)[C@@](C)(O)CC[C@H]21 2356638565 JRRMXXZTUUZDPE-OWUXGNKUSA-N 406.607 5.188 0 1 HKAF CCCCC[C@@H](O)C=CC=CCC1(CC[C@@H](CCC(=O)O)CCC(C)C)CCCC1 2356727483 PFPYIBQENNEECG-JWQCQUIFSA-N 420.678 7.688 0 1 HKAF Cc1nc(-c2ccccc2)sc1[C@@]1(C)CC(c2ccc(OC(F)(F)F)cc2)=NO1 13660396 IMBUGPIFBRPWEL-HXUWFJFHSA-N 418.440 6.057 0 3 HKAF Cc1csc(-c2nc3ccccc3n2[C@H](C(=O)NC(C)(C)C)c2ccccc2)c1 95599290 APTALLRFQBHSED-NRFANRHFSA-N 403.551 5.577 0 3 HKAF O=C(NC1CCCC1)c1c(-c2ccccc2F)noc1-c1c(F)cccc1Cl 776976 GWPOPQSSBAWYDD-UHFFFAOYSA-N 402.828 5.613 0 1 HKAF C/C(=C\CO)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)COC(=O)/C=C/C(=O)O 14654641 AEHIZBVRKDBILT-KCSPCAOWSA-N 404.547 5.289 0 1 HKAF Cc1cc2c(cc1Br)[C@@]1(C)CC[C@@](CI)(O2)[C@@H]1C 15216211 GSLUQYUFBYSYQN-ONERCXAPSA-N 421.116 5.011 0 1 HKAF biogenic CC(C)(C)CNC(=O)[C@]1(Cc2ccccc2)CCc2ccc(Cc3ccccc3)cc21 26675538 JYGMGOJJQFYGHI-LJAQVGFWSA-N 411.589 5.866 0 1 HKAF CC[C@@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4cccc(F)c4)oc3C)ccc21 28566086 WSMJRBPQAUXIIE-IFMALSPDSA-N 423.484 5.551 0 1 HKAF C[C@](CO)(CCCCSCCCC[C@](C)(CO)c1ccccc1)c1ccccc1 28567071 CABKSVMDTCABIY-CLJLJLNGSA-N 414.655 5.961 0 1 HKAF O=C(O)c1cc(C2=C(c3cc(Cl)ccc3OCc3ccccc3)CCC2)cnn1 28819286 PEALHTCDYVGFOP-UHFFFAOYSA-N 406.869 5.502 0 1 HKAF Nc1nccn2c(C3CCC3)nc(-c3cccc(OCc4c(F)cccc4F)c3)c12 28885474 YBDFEMULOWJQEV-UHFFFAOYSA-N 406.436 5.103 0 1 HKAF OC1(c2cccc(Cl)c2Cl)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12 40429358 UTSZTPIAGJECRH-XVQYUUQNSA-N 401.337 5.489 0 1 HKAF Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2cc(Cc4ccc(Cl)cc4)no2)N3C)cc1 45483971 IFMIAYDNKIHTBR-KBOSCXGNSA-N 406.957 5.961 0 1 HKAF C[C@]1(c2ccccc2)CCCN(C(=O)NCc2ccc(-c3cccc(Cl)c3)cc2)C1 49792368 SFAHBRRRIPXYTB-SANMLTNESA-N 418.968 6.270 0 1 HKAF C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@]23Oc2ccc(OC(=S)N(C)C)cc2C[C@]13C 59718213 DRTPUUQCYHYPIT-RWJCITIMSA-N 401.616 5.848 0 1 HKAF biogenic CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2ccccc2F)C1 82151512 FKJXCRQRDORTFX-MOPGFXCFSA-N 424.564 5.170 0 1 HKAF CCCCNC(=O)c1cnc(N[C@H](C)CC)nc1-c1ccc(-c2ccccc2)cc1 82159167 ZHFHNTWBOOGKMD-GOSISDBHSA-N 402.542 5.551 0 1 HKAF O=C(Nc1ccc(F)cc1)N1Cc2ccccc2[C@@H]1c1ccc(C(F)(F)F)cc1 84670217 CTHXGJJLGVFRRH-FQEVSTJZSA-N 400.375 5.982 0 1 HKAF C[C@H]1CC[C@@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@]43C)[C@@H]2[C@@H]1C 85979255 DIFWJJFSELKWGA-YPSKWCNASA-N 424.713 8.233 0 1 HKAF in-man c1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@H]32)cc1 169291438 CJFITVUYKIGKBQ-STROYTFGSA-N 403.550 7.416 0 1 HKAF C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 169302282 HOEJSFZVOUECLS-BPTSLXNSSA-N 414.678 5.333 0 1 HKAF O=C(Nc1ncc(Cc2ccccc2Br)s1)c1cc2ccccc2o1 198422953 NCFRIAIGRIXMGI-UHFFFAOYSA-N 413.296 5.495 0 1 HKAF in-vivo CC(C)(C)C1=NN(c2ccc(C(=O)O)cc2)[C@@H](c2cccc(Br)c2)C1 203671473 YBJLPZAQNUJPKY-QGZVFWFLSA-N 401.304 5.501 0 1 HKAF COCCn1ccc2ccc(-c3cc(N[C@@H]4CCCc5ccccc54)nc(C)n3)cc21 205344355 ZUKMVMXCFIWCMD-HSZRJFAPSA-N 412.537 5.543 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1cc([C@H]2CC(=O)c3c(cc(O)c(C)c3O)O2)ccc1O 209427747 RILNWSNLVSDZNW-MPAZDJCUSA-N 422.521 6.054 0 1 HKAF CC(C)CCC[C@@](C)(O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 211256521 XSGAQCLMXROKDH-JOYBJKFPSA-N 418.662 5.474 0 1 HKAF O=C(c1ccccc1-c1cccs1)N1[C@H]2CC[C@@H]1C[C@H]2COc1ccc(F)cn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endogenous,in-man Cc1ccc(-c2cc(C(=O)Nc3nnc(-c4ccncc4)s3)c3ccccc3c2)o1 473115016 QOQCDKVOJQFRFK-UHFFFAOYSA-N 412.474 5.574 0 1 HKAF CC(C)(C)C(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(F)c3)cc2)cn1 473134869 JACMRULERRGOAZ-UHFFFAOYSA-N 424.451 5.655 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccnc(Br)c3[nH]2)c1 586879122 PIQJFJLRCJYCFN-UHFFFAOYSA-N 406.283 5.235 0 1 HKAF CCCCc1cc(=O)oc2cc(OCc3nc4cc(Cl)c(Cl)nc4[nH]3)ccc12 586918892 SEFXPWBWMYUWNZ-UHFFFAOYSA-N 418.280 5.293 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cccc(OC(F)(F)F)c3)nc3ccc(O)c1c23 586985911 HGKJZPKUQMQCFQ-UHFFFAOYSA-N 407.347 5.717 0 1 HKAF CC(=O)[C@@H](C/C=C/c1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990709 FIKUAEAJYLSVHG-QPGLYAHGSA-N 419.480 5.928 0 1 HKAF CC(C)(C)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 587002637 XSMKOIHUABSSEZ-QPJJXVBHSA-N 413.315 5.565 0 1 HKAF Fc1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1Br 587029154 IXVDJODZVBJXSM-UHFFFAOYSA-N 404.264 5.167 0 1 HKAF O=C1COc2cc3[nH]c(-c4ccc(Cl)c(-c5ccc(Cl)cc5)c4)nc3cc2N1 587047985 OOZSLSWPLIVADB-UHFFFAOYSA-N 410.260 5.535 0 1 HKAF COc1cccc(-c2ccc(-c3nc4ccc(Br)cc4[nH]3)c(Cl)c2)c1 587051395 CJANUEXCGUWJFQ-UHFFFAOYSA-N 413.702 6.321 0 1 HKAF COC(=O)c1cc2nc(-c3ccc(O)cc3Cl)[nH]c2c(F)c1Nc1ccccc1 587053624 GTXDDLZBFAOPFF-UHFFFAOYSA-N 411.820 5.258 0 1 HKAF Nc1c(F)c(F)cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1F 587136205 DPNVNBVWJAHGNF-UHFFFAOYSA-N 410.115 5.011 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(/C(=C\c3ccc(F)cc3)c3cccs3)nc2c1 587164778 XDKIEEJLWLTTIQ-DHDCSXOGSA-N 412.873 5.792 0 1 HKAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587169845 BWOPVFBUDCVIGE-VIFPVBQESA-N 409.280 5.059 0 1 HKAF CC(C)(C)c1ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c2n1 587183685 GNYQHJBDYQXLEG-UHFFFAOYSA-N 411.674 5.180 0 1 HKAF O=C1c2ccc(O)cc2OC2(CC(c3cccc(Cl)c3)C2)[C@@H]1c1ccc(F)cc1 587326270 BNWWIUDHUDNRNR-OOEWLZKVSA-N 408.856 5.860 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 587327615 HEXNLWUEGPCWPV-VWNXMTODSA-N 408.856 5.775 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)c(Cl)c1Cl)O2 587378314 UFYAXDYYJAODMQ-ZDUSSCGKSA-N 401.087 5.353 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(C(F)(F)F)cc1F)O2 587381111 GAGWTSLJJXQJGU-JOCHJYFZSA-N 415.386 5.644 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(C)c(C)c4)cc4ccccn14)[C@@H](C2)C3=O 587436264 PANGWXPRYHFVHG-WXVAWEFUSA-N 409.485 5.720 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC)c(Br)c1)CC2=O 587456277 LYBZQSCSLOZSIZ-LJQANCHMSA-N 405.288 5.212 0 1 HKAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1ccccc1 587521010 CGUHVUCYZADQJJ-RUZDIDTESA-N 414.501 5.860 0 1 HKAF CCc1ccc(-c2[nH]c3ccccc3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521544 CJHRVTLAMZQRID-AREMUKBSSA-N 421.540 6.983 0 1 HKAF COc1cccc(Oc2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587521868 CYGQLXSRQMDSFS-VWLOTQADSA-N 400.474 6.073 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)c(O)c1Cl 587541918 GSXVBEHPCWPAEC-FOIQADDNSA-N 403.217 5.108 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(OC(F)(F)F)ccc1F 587553149 DXCQIKGXOIFWHZ-YLJYHZDGSA-N 420.314 5.133 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccccc2)n1 587611770 JNILWPHUEAKFNQ-SIKLNZKXSA-N 401.443 5.219 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(O)cc2)s1 587614468 SPVPCYQNLLIQRT-URXFXBBRSA-N 416.454 5.529 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccsc2)s1 587614727 SVXXGVPVIFLTJQ-YLJYHZDGSA-N 407.472 5.280 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3cc(OC)c(Cl)cc3OC)c2c1 587642931 WYOSFXXMIPJREY-LBPRGKRZSA-N 400.906 5.913 0 1 HKAF O=C([C@@H](Sc1ccccc1)c1ccccc1)n1ncc2ccc(Cl)cc2c1=O 587655291 ZTSLJQKODCJRPD-FQEVSTJZSA-N 406.894 5.224 0 1 HKAF CC(=O)n1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587756419 KTLVAJKEFACEJD-QKVFXAPYSA-N 415.306 5.001 0 1 HKAF COc1ccc2c(c1)CCCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587810572 SZSWJIRFPBBKGT-YEJXKQKISA-N 404.323 5.101 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1COc1ccccc12 587836053 RHMUUDZXBCOIKY-QKFKETGDSA-N 424.313 5.307 0 1 HKAF CC(C)c1ccc(-c2cc(O)n([C@@H](COc3cc(F)cc(F)c3)N=O)c2O)cc1 587945612 OPOAELHXHVMZFW-IBGZPJMESA-N 402.397 5.312 0 1 HKAF COc1ccc2c(c1OC)C(c1cccc(F)c1)(c1cccc(F)c1)N(C)[C@H](C)C2 962643818 YAIBVUCAWWYXKL-MRXNPFEDSA-N 409.476 5.150 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CCCc3ccc(Oc4ccccc4)cc32)N1 962938950 AUEHPYZNBHQUAK-PIIWDFAUSA-N 408.545 6.464 0 1 HKAF CC(C)[C@@H](c1ccccc1)[C@@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962950237 FEZDVLQYBDIRGZ-FCHUYYIVSA-N 403.488 5.838 0 1 HKAF CC1(C)C[C@@]2(c3ccc(F)cc3C[C@@H]3CCCN32)c2cc(Br)ccc21 963099580 JRBVOYFGGPXRHJ-HTAPYJJXSA-N 400.335 5.534 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccc(-c2ccc(C)cc2Br)o1 963229225 NKLSAYDINMSWMI-XDHUDOTRSA-N 424.382 6.764 0 1 HKAF Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](O)c3cccc(C)c32)cc1 1772571822 GIPUQWJSEMKBFV-QHCPKHFHSA-N 414.505 5.030 0 1 HKAF CCCCCNc1ccc(C(=O)c2c(-c3ccc(OC)cc3)oc3ccccc23)cc1 1857554583 PTDSWDUOQMHWJA-UHFFFAOYSA-N 413.517 6.942 0 1 HKAF CCCOc1ccc(-c2cc(OCCN(CC)CC)c3c(OC)cccc3n2)cc1 1857747628 SUHKJLOOFODABJ-UHFFFAOYSA-N 408.542 5.420 0 1 HKAF O=C(O)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 1857748245 OSIIHQBVCIBOKR-AWEZNQCLSA-N 407.080 5.246 0 1 HKAF CC1(C)[C@@H](O)CC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@@H]2CC[C@@H]2[C@H]([C@@]3(C)C=CC(=O)O3)CC[C@]21C 2356411609 UNSQIEVGNLJREE-PCUSTBPFSA-N 414.630 5.904 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C(OCC[C@@]21C)[C@]1(C)CC[C@@H](O)CC1=CC3 2356418502 KWWIDBSRZVKILE-NCUFULFNSA-N 400.647 7.037 0 1 HKAF CC(C)=CCCC(C)=CCC[C@](C)(O)[C@H]1Cc2c(O)c(Cl)c(C)c(C=O)c2O1 2356482308 JAXLESZZOAELTH-XXBNENTESA-N 406.950 5.694 0 1 HKAF C[C@@H]1C=C2[C@@]3(C)CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]2(C)[C@H]2CC(C)(C)CC[C@@H]12 2356497988 FXOCQCYCKZXBIJ-QXCBTJDASA-N 424.713 8.233 0 1 HKAF CC(C)[C@H](O)CC[C@@H](C)[C@@H]1CC=C2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356631904 SAXMHLJORFYZHZ-AVAGUMLQSA-N 418.662 5.330 0 1 HKAF CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 4055508 CMQMUMGUIKCFGB-JTHBVZDNSA-N 406.913 5.501 0 1 HKAF Cc1c(COc2cccc(F)c2)oc2cccc(OCCCNCc3cccnc3)c12 13438500 KWZSFGQMKYRCJI-UHFFFAOYSA-N 420.484 5.413 0 1 HKAF CCCCN(CCCC)CCCOc1ccc(-c2cn3cccc(C)c3n2)c(C)c1 13819554 BVKMXROKPXECOE-UHFFFAOYSA-N 407.602 6.289 0 1 HKAF CCOP(=O)(Cc1ccc(-c2nc3ccc(OC(C)=O)cc3s2)cc1)OCC 27903792 YHULWHCHCXVCSV-UHFFFAOYSA-N 419.439 5.655 0 1 HKAF CC1=NC(C)=C(C(=O)O)[C@@H](c2cccc(F)c2)/C1=C(\O)OC/C=C/c1ccccc1 28568171 HPSPJGKHZJPIEU-QDWUDRRGSA-N 407.441 5.242 0 1 HKAF CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccc(F)c4)c3c2C)cc1 28569210 XMFOIXKKRCBTLJ-UHFFFAOYSA-N 404.489 5.496 0 1 HKAF CC(=O)O[C@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 28863175 HMMXRBXGPAQIDO-UCKOTGOJSA-N 403.566 5.524 0 1 HKAF CCSCCCCCCCCCCCCCCCCNc1ccc(C(=O)O)cc1 29216341 GLPHIMRTFVXANB-UHFFFAOYSA-N 421.691 8.011 0 1 HKAF CCCc1cccc2cc(-c3ccc(-c4ccc(C(=O)O)c5ccccc45)[nH]3)sc12 29417094 SPBWWOIEAVWXTG-UHFFFAOYSA-N 411.526 7.367 0 1 HKAF c1ccc(CCN2CCC(N(Cc3ccccc3)c3nc4ccccc4[nH]3)CC2)cc1 29564192 QGGSAXFVVSPELW-UHFFFAOYSA-N 410.565 5.277 0 1 HKAF CCCCN(CC)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12 40872802 JNCDNGYFZIAZJF-UHFFFAOYSA-N 417.336 5.973 0 1 HKAF CCN(CC)CCCNCc1cc2c3ccccc3n(Cc3ccccc3)c2cn1 53295715 XOKOXENLGGUJTR-UHFFFAOYSA-N 400.570 5.059 0 1 HKAF CCCCc1ccc(-c2nc(CNC3CCN(Cc4ccccc4)CC3)co2)cc1 72184370 QCFFMUDCUDYDBP-UHFFFAOYSA-N 403.570 5.438 0 1 HKAF Cc1ccc(N2C(=O)[C@@H](c3ccccc3Cl)C[C@H](c3ccccc3Cl)C2=O)cc1 82156288 WHKQHRIDCOEQRX-WOJBJXKFSA-N 424.327 6.133 0 1 HKAF CC(C)Cc1ccc([C@H](C)c2nc3cc(O)ccc3n2Cc2ccccc2Cl)cc1 84714178 TZVVOZFYRZMHAC-SFHVURJKSA-N 418.968 6.794 0 1 HKAF COc1ccc(C(=O)n2c3ccc(Cl)cc3c3ccc([C@@H](C)C(=O)O)cc32)cc1 95556682 IMFFSMJJQJCIJT-CYBMUJFWSA-N 407.853 5.333 0 1 HKAF CCc1cccc(-c2ccc(CNC(=O)CCCc3ccc4cccnc4n3)cc2)c1 95573036 FKUWIZCOCSEJIY-UHFFFAOYSA-N 409.533 5.498 0 1 HKAF NC(=S)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@@H]1c1ccc2ccccc2c1 95582341 PMNCGPKTYMEYRZ-LJQANCHMSA-N 400.334 5.541 0 1 HKAF CC1=C(c2cccc(C(F)(F)F)c2)C(=O)N(C(C)(C)c2nc3ccccc3s2)C1 103198916 UEEPZIDIFJJCQA-UHFFFAOYSA-N 416.468 5.866 0 1 HKAF C[C@H]1CC[C@H](NS(=O)(=O)c2cccs2)CCCCCCCCCCC(=O)O1 103219620 CPZMETPVPARJGO-ZWKOTPCHSA-N 415.621 5.022 0 1 HKAF CCOc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1 103270542 IXHUYDMFYJGNQN-QGZVFWFLSA-N 423.431 5.246 0 1 HKAF CC(C)=CCC[C@](C)(O)/C=C/C/C(C)=C/CC[C@@]1(C)C=Cc2cc(O)cc(C)c2O1 140512953 HNPKTDKTYUBNFK-UFANHYLHSA-N 410.598 7.035 0 1 HKAF CC(C)[S@](=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253632429 CPMYQFUFQVVJNP-SLRKMCROSA-N 420.703 6.110 0 1 HKAF C[C@@H](NCCc1ccccc1)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253633370 LFPKSAIPLRXRML-QHXOLDSSSA-N 421.669 6.147 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)N(C)C1=C[C@@H]3C 253862504 FAGYSQSLIMHWHR-CHCWRGFNSA-N 413.690 7.300 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)[C@H](C)[C@H]1CC3 255264186 SCEZIHJVTBQOLS-KLZUGNGESA-N 400.691 7.779 0 1 HKAF C/C=C(/CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C)C(C)C 257380056 ARTLJRSXUMKHFS-UDKYKVAWSA-N 412.702 8.233 0 1 HKAF endogenous,in-man Cc1ccc(-c2nn(-c3ccccc3)cc2CNc2ccc(C(F)(F)F)cc2)cc1 299864915 SDOKPPOYSNLFDG-UHFFFAOYSA-N 407.439 6.479 0 1 HKAF Oc1ccc(-c2cccc(-c3nc4c(Cl)c(Br)cnc4[nH]3)c2)cc1 586898381 JOUIXSNLQSCVIR-UHFFFAOYSA-N 400.663 5.413 0 1 HKAF Cc1c(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)oc2c1[C@H](O)CCC2 586905547 TWUDIGZUUBSSJW-SNVBAGLBSA-N 415.209 5.282 0 1 HKAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(Cl)cc(C)c3[nH]2)cc1 586948299 GQYWIAFNVWYPMM-UHFFFAOYSA-N 411.914 5.301 0 1 HKAF CCc1ccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1Br 586977995 VMJUNFBNRKBXFH-UHFFFAOYSA-N 419.628 6.107 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2c1 587016114 GRFJGPHBCPKMFK-NSHDSACASA-N 418.238 5.319 0 1 HKAF Oc1c(Br)ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587074749 XEOGPFAEIBPNEL-OAHLLOKOSA-N 406.711 5.022 0 1 HKAF Cc1c(-c2nc3cc(Br)cc(Cl)c3[nH]2)cnn1-c1ccc(Cl)cc1 587075905 OGOBXTDLBHATIN-UHFFFAOYSA-N 422.113 5.793 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(Cl)nc4[nH]3)c(Cl)cc12 587078254 MPPPKQGPLOAAHF-JTQLQIEISA-N 418.280 5.464 0 1 HKAF Cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587108008 XLGBCVDNPUBZSJ-UHFFFAOYSA-N 424.500 6.013 0 1 HKAF FC(F)(F)c1cccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 587113637 RAKNEFHAAZNTKS-UHFFFAOYSA-N 409.127 6.030 0 1 HKAF O=C(c1nc2c(Br)c(F)ccc2[nH]1)c1c(Cl)ccc(F)c1Cl 587132571 DKHIDKZYJTWISN-UHFFFAOYSA-N 406.013 5.141 0 1 HKAF O=c1c(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587170532 CBGQLQBUBFTYOS-UHFFFAOYSA-N 407.754 5.090 0 1 HKAF C[C@]1(c2nc3ccc(Sc4ccccc4)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587175026 VNCUDSSJVJEEPA-HSZRJFAPSA-N 404.466 5.482 0 1 HKAF CNc1cccc(-c2cccc(-c3nc4c(Cl)c(Br)cnc4[nH]3)c2)c1 587236333 UTWXHSNRHCZBSH-UHFFFAOYSA-N 413.706 5.750 0 1 HKAF COC(=O)Nc1ccc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)cc1 587243539 NYWRONWIIRNJKJ-UHFFFAOYSA-N 414.181 5.190 0 1 HKAF Cc1cc(Cl)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C 587324877 ARCGQIYLRNZEFU-UPVQGACJSA-N 410.872 6.076 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)Cc2c(cccc2OC)C3)c1 587363055 PBTXXYCCOVFBNO-UHFFFAOYSA-N 407.469 6.160 0 1 HKAF Cc1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)c(Br)c1 587377336 MLMXSTPXNUCNBS-HXUWFJFHSA-N 412.283 5.615 0 1 HKAF CCc1cc2c(n1Cc1ccccc1)CCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587389206 GAEQLYFDVQFZDP-AREMUKBSSA-N 400.522 5.186 0 1 HKAF Cc1cccc(COc2c(C)cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2C)c1 587397715 ALUCTBZAUNGPGQ-XMMPIXPASA-N 401.506 5.788 0 1 HKAF Cc1cccc([C@@]2(c3c(N)sc4c3CCCC4)CC(=O)c3cc(C)cc(N)c3O2)c1 587415412 RUMKCAZUWAYFIT-RUZDIDTESA-N 418.562 5.317 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(C(C)(C)C)[nH]c4ccc(C(C)(C)C)cc14)[C@@H](C2)C3=O 587439065 URNPRHHMSXMGGU-MHECFPHRSA-N 417.549 6.260 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc3nccc(NC(=O)C(C)(C)C)c3o1)CC2=O 587471871 WCCTWRANPJKOLZ-FQEVSTJZSA-N 422.481 5.177 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC)(c1cc(Br)c(C)s1)CC2=O 587489903 FNNNGEUSXMTJOI-IBGZPJMESA-N 409.345 5.748 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccsc1)([C@@H](O)c1ccsc1)CC2=O 587498074 YNRJRKPEIRKSCA-SFTDATJTSA-N 400.521 5.062 0 1 HKAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(C)c1OCc1ccccn1 587513038 AAIPVINWOXSTEM-VWLOTQADSA-N 413.517 5.863 0 1 HKAF CC(C)(C)OC(=O)n1ccc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc21 587513513 BAHVFQSRVJLXOA-HSZRJFAPSA-N 417.505 6.010 0 1 HKAF O=C1C[C@@H](c2ccccc2SCc2ccccc2)Oc2c1ccc1c2CCCC1 587530222 BMMRLBFBSJJCFW-DEOSSOPVSA-N 400.543 6.564 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)c(O)c1Cl 587541920 GSXVBEHPCWPAEC-MGPUTAFESA-N 403.217 5.108 0 1 HKAF Cc1ccc(OC(F)F)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587555389 KTUUKNDPTOGEQN-AUSIDOKSSA-N 412.388 5.179 0 1 HKAF CC(C)CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587595921 LWJGMTOGYZUBNK-DHLKQENFSA-N 404.462 5.520 0 1 HKAF COc1ccc([C@]2(CCC(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601903 VOBNRABDNDRXPF-BVAGGSTKSA-N 418.489 5.694 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc3cccnc23)N1 587700225 SIOZUPZRZJHXCV-APBUJDDRSA-N 405.698 5.413 0 1 HKAF Cc1cc(OC(F)F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587713532 DNUZCFXKKYFZPG-ZMZPIMSZSA-N 414.265 5.430 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)ccnc2Cl)N1 587716269 ZDJRIZYZEMLVPY-UOWDBTKRSA-N 423.635 5.279 0 1 HKAF CCCOc1cccc(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 587778568 MXPWOLMZIZXOMJ-UHFFFAOYSA-N 413.237 5.724 0 1 HKAF CC(C)[C@]1(COCc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587802657 SYPGYLQGFMJUQP-VFNWGFHPSA-N 406.339 5.191 0 1 HKAF Cc1ccc(-c2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587817476 CJKYELMDJOUYBW-IQMFZBJNSA-N 410.330 6.187 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C=O)cc3)cc2)N1 587817771 AYHDWOLEEAOQPB-LFVRLGFBSA-N 424.313 5.691 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(/C=C/c3ccccc3)cc2)N1 587818578 ITVHFVOWJPDXIH-DWQGZLCUSA-N 422.341 6.382 0 1 HKAF CCCCc1ccc(-n2c(O)cc(-c3ccc(C)cc3)c2O)c(Br)c1 587937254 OYIFLBPGGBGFFN-UHFFFAOYSA-N 400.316 5.969 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c(Cc3ccccc3Oc3ccccc3)nc2c1 587951176 XHICAYPVJYMXBN-UHFFFAOYSA-N 402.803 6.618 0 1 HKAF COC[C@H](C)Oc1ccc([C@H](CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl 653799723 ZWOHLWADEZHKEZ-JXFKEZNVSA-N 412.961 6.342 0 1 HKAF COc1cc2c(cc1OC)[C@@]1(CC3(CCCCC3)Oc3ccccc31)N(C)[C@@H](C)C2 962569883 MIHRLDYSKWYJSO-QYBDOPJKSA-N 407.554 5.309 0 1 HKAF CCC[C@]1(c2ccc(Cl)c(O)c2)c2cccc(F)c2CCN1[C@H]1CCSC1 962698920 DCNOCDODUKYKKJ-AOMKIAJQSA-N 405.966 5.592 0 1 HKAF Cc1sc2c(c1C)CCN[C@@H]2c1c(Cl)c2cc(Br)ccc2oc1=O 963010347 NJYALLRJOWKJLP-MRXNPFEDSA-N 424.747 5.122 0 1 HKAF Fc1cccc2c1[C@@H](c1c(-c3ccc(Cl)cc3)[nH]c3ccccc13)N1CCC[C@H]1C2 963093287 BIJYGQUFFKMANA-SIBVEZHUSA-N 416.927 6.737 0 1 HKAF COc1ccc(C[C@@]2(C(=O)O)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@@H]23)cc1 1772619949 QSEGEJWOTKWERL-IEUSDUHPSA-N 406.566 6.136 0 1 HKAF NC[C@H]1CN(c2nc3ccc(Cl)cc3s2)Cc2[nH]c3ccc(Cl)cc3c21 1857596756 LFHGXRVOVHSGTI-JTQLQIEISA-N 403.338 5.147 0 1 HKAF O=c1c2ccc(F)cc2n(-c2ccccc2)c2ss/c(=N\c3ccccc3)c12 1911581781 DEUFURPUKGNNKA-FLFQWRMESA-N 404.491 5.638 0 1 HKAF CC(=CCCC(C)=CCCc1ccoc1)CCC=C1CC[C@@H](O)[C@@H](C)C(=O)OC1 2356446011 VRWCUJQWBMHNBO-ZJSXRUAMSA-N 400.559 5.926 0 1 HKAF CCC1=C[C@H](C)[C@@H]2C(C)=C[C@](C=C(C)C=Cc3ccccc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n1ccnc1SCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 1537248 FDDHBCQRKNMZCU-UHFFFAOYSA-N 406.580 5.752 0 1 HKAF N=C(N)c1ccc2oc(CCCCCCc3cc4cc(C(=N)N)ccc4o3)cc2c1 1909524 CJAMPJAYCDOGJP-UHFFFAOYSA-N 402.498 5.093 0 1 HKAF CC(C)(C)c1noc(-c2ccccc2)c1C(=O)NCCc1c(Cl)cccc1Cl 2483540 UZEUMWSFLKBZNL-UHFFFAOYSA-N 417.336 5.918 0 1 HKAF O=C(c1cccnc1)N1CCC(c2c[nH]c3ccccc23)(c2c[nH]c3ccccc23)CC1 6806689 HQBFPZXDCNHYCY-UHFFFAOYSA-N 420.516 5.267 0 1 HKAF O=C(O)CCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 13448449 QEGRKKYZHJOJMN-UHFFFAOYSA-N 424.544 6.919 0 1 HKAF Cc1ccc([C@H](C)Nc2cccn([C@H](CN3CCCC3)c3ccccc3)c2=O)cc1 13488460 DLOLFQZEKAMAKM-SQJMNOBHSA-N 401.554 5.015 0 1 HKAF C[C@@H](COC(=O)c1ccc(-c2cccc(-c3ccccc3)c2O)cc1)CC(C)(C)C 13603840 MUZIAEWWAUGIJK-LJQANCHMSA-N 402.534 6.955 0 1 HKAF CCOc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 13604456 GNOYFLHPLMDULN-CLJLJLNGSA-N 415.533 5.821 0 1 HKAF CCCc1c(Cl)sc2[nH]c(=O)c(-c3cccc(Oc4ccccc4)c3)c(O)c12 13680061 HWSUCPCXFDKGML-UHFFFAOYSA-N 411.910 6.360 0 1 HKAF C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43CCSc3ccccc3)[C@@H]1CCC2=O 13746606 CVDBWXQIMAZHCH-LIOHBJMPSA-N 406.591 6.170 0 1 HKAF CCSC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)Oc2ccccc2)c1CC 26962216 AAZKGUGXKRQXGQ-UHFFFAOYSA-N 405.519 5.732 0 1 HKAF CCOC(=O)c1oc2cc(-c3ccc(OCCc4ccccc4)cc3)cc(O)c2c1C 28372897 HKEZMCYGLYCHCE-UHFFFAOYSA-N 416.473 5.912 0 1 HKAF CCN(CC)CCC[C@H](C)Nc1nc(-c2ccc(C)cc2)cc(-c2ccc(O)cc2)n1 28530652 QSNUOXILMAMYIH-FQEVSTJZSA-N 418.585 5.747 0 1 HKAF O=c1c2cc(F)c(-c3cnc4ccccc4c3)cc2n(C2CC2)c2snc(O)c12 28569984 MSAFVZGYTUBDIC-UHFFFAOYSA-N 403.438 5.006 0 1 HKAF CC(C)c1c(CO)cn(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1 32071498 IQXFKQNAMUFNKC-UHFFFAOYSA-N 407.366 6.005 0 1 HKAF CCCCCC(=O)O[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 34495893 AMIDPDOKRBRJTC-TTZDETBQSA-N 400.559 5.189 0 1 HKAF O=C(O)c1ccc2cc(-c3ccc(O)c([C@@H]4CCC[C@H]5CCCC[C@H]54)c3)ccc2c1 40866041 IINPQDYJQFBRBA-UOKFIYJESA-N 400.518 6.985 0 1 HKAF COc1cc2nccc(Oc3cc(C)c(C)cc3C(=O)c3ccccc3)c2cc1OC 40938903 IVYIJLNLIWKBHN-UHFFFAOYSA-N 413.473 5.892 0 1 HKAF O=C(Nc1cccc(-c2ccc(CN3CCC(O)CC3)cc2)c1)c1cccc(Cl)c1 45229250 SFHXOBBPCVBQTE-UHFFFAOYSA-N 420.940 5.216 0 1 HKAF FC(F)(F)c1ccc(Nc2nccc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1 49031251 UFPOKFMCAPFTOA-UHFFFAOYSA-N 423.320 5.573 0 1 HKAF COc1ccccc1CNc1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2)n1 82163294 MZZNBENNEBPCGD-UHFFFAOYSA-N 402.523 5.505 0 1 HKAF CCc1cnc(-c2cnc(NCCc3ccccc3F)nc2-c2cccc(C)c2)s1 82173673 YWUOHKXVVSVKPX-UHFFFAOYSA-N 418.541 5.932 0 1 HKAF CCOC(=O)c1c(-c2cccc(-c3ccccc3)c2)[nH]c2cc(Cl)ccc2c1=O 95555910 FNBXZSWTRWHTCS-UHFFFAOYSA-N 403.865 5.692 0 1 HKAF CC[C@@H](C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1cccnc1 100703349 WUJMWYDETVIUIA-WBMJQRKESA-N 410.543 5.318 0 1 HKAF CCCCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1cccs1 100703751 LWZGFCILQUMTTK-MRXNPFEDSA-N 415.584 5.986 0 1 HKAF O=C(Nc1ccc([C@@H]2CCN(CCc3ccccc3)C2)cc1)c1ccc(Cl)cc1 117801187 PQHIFJRRKLHWSM-JOCHJYFZSA-N 404.941 5.624 0 1 HKAF O=C(O)CSc1nc2cc(-c3ccc(-c4ccccc4O)cc3)c(Cl)cc2[nH]1 118481070 PEBVCCGQJKEUJM-UHFFFAOYSA-N 410.882 5.433 0 1 HKAF CCn1c(C2Cc3ccccc3C2)nnc1[C@H](C)CC(=O)Nc1cccc2ccccc12 148489007 XGFXJNFHRPTVAR-GOSISDBHSA-N 424.548 5.466 0 1 HKAF COc1ccc(C)cc1-c1cccc2nc(Nc3cc(OC)c(OC)c(OC)c3)oc12 169328314 ITJWUDWPWZELPJ-UHFFFAOYSA-N 420.465 5.581 0 1 HKAF O=C(Nc1cccc(SC(F)(F)F)c1)c1ccccc1NC(=O)C1CCCCC1 199852693 ZGULDRFPHZVIGF-UHFFFAOYSA-N 422.472 6.070 0 1 HKAF CC(C)C/C=C\[C@@H]1C(=O)OC[C@]23CC[C@H]4[C@@H](C=CC5=C[C@H](O)CC[C@@]54C)[C@@H]2CC[C@H]13 238756641 ULPXEYSCKDGTPP-ZIFJXWQPSA-N 410.598 5.458 0 1 HKAF OCCCCCCCCCCCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586895129 QABWZIQYRJKXAB-UHFFFAOYSA-N 421.610 6.885 0 1 HKAF COc1ccc2c(C)c(CCc3nc4cc(Cl)cc(Cl)c4[nH]3)c(=O)oc2c1C 586917717 IAHWORUEJAGQFE-UHFFFAOYSA-N 417.292 5.387 0 1 HKAF O=[S@@](CCCc1nc2cc3ccccc3cc2[nH]1)c1ccc(Br)cc1 586958074 CKYMDKAKQIPNAS-VWLOTQADSA-N 413.340 5.219 0 1 HKAF CC(C)Oc1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 586961521 VRVQXWDXZOECNF-LJAQVGFWSA-N 404.535 5.388 0 1 HKAF C[C@@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1nc2ccccc2s1 586994132 VXHYIWLQKUWYJJ-ZDUSSCGKSA-N 408.482 5.913 0 1 HKAF Cc1ccc2c3c(c(CCC(=O)O)c(-c4ccc(F)cc4)nc13)-c1ccccc1C2=O 586994681 BVVVTOMAPKLXHQ-UHFFFAOYSA-N 411.432 5.578 0 1 HKAF Cc1nc(C2CC2)sc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587013181 YJDHJAXYNYICQC-UHFFFAOYSA-N 402.239 5.654 0 1 HKAF Fc1c(Cl)cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c1F 587015277 JTRMXFPVKNQPIY-UHFFFAOYSA-N 416.667 6.592 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@@H]4Cc5ccccc5S4)[nH]c3c2)cc1 587043838 WBAXTZIHWQZPCZ-NRFANRHFSA-N 402.475 5.531 0 1 HKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587066753 REQITVPJWBLYIS-SECBINFHSA-N 409.667 5.125 0 1 HKAF CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 587074137 TZCLUEJQSNPUJE-QHCPKHFHSA-N 411.933 5.685 0 1 HKAF Cc1cc2[nH]c(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)nc2c(C)n1 587082652 UFFBGIQUEUVRSD-UHFFFAOYSA-N 400.869 5.816 0 1 HKAF COc1ccc2c(c1)[C@@H](CC(=O)O)c1c-2nc2cccc3c2c1-c1ccccc1C3=O 587107128 OQPSRHGABPBKOW-LJQANCHMSA-N 407.425 5.042 0 1 HKAF FC(F)(F)Sc1ccc(/C=C/c2nc3c(Br)ccnc3[nH]2)cc1 587125799 RJPMEXOWZIYTGC-ZZXKWVIFSA-N 400.223 5.503 0 1 HKAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4ccc5ncccc5c4[nH]3)c(F)c2)c1 587138608 OCILCPPRTBSQKO-UHFFFAOYSA-N 401.372 5.422 0 1 HKAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3c(C)cnc(Cl)c3[nH]2)c1 587146927 BTTFONSIDRDXNC-UHFFFAOYSA-N 411.820 5.100 0 1 HKAF CCOC(=O)C1=C(C)NC2=C(c3nc4cccc5c4c(c3CC2)CC5)[C@@H]1c1ccccc1 587211022 BDSPOEVJCZMARQ-RUZDIDTESA-N 422.528 5.215 0 1 HKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(Br)c(C)nc3[nH]2)c1 587238995 QYJJTZNAGQUJME-UHFFFAOYSA-N 422.330 5.638 0 1 HKAF Cc1cc(Cl)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C 587324874 ARCGQIYLRNZEFU-ISKFKSNPSA-N 410.872 6.076 0 1 HKAF Nc1ccc2c(c1)CCCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336425 NJGUECVKXDGOEH-ZCYQVOJMSA-N 403.453 5.094 0 1 HKAF C[C@]1(CCc2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347771 PURDDGXNFFQTOO-AZGAKELHSA-N 415.464 5.763 0 1 HKAF COc1cccc(-c2cc(-c3cc4c(cc3N)OCO4)nc3c2oc2ccccc23)c1 587362223 FJSHGPVIYLXHLD-UHFFFAOYSA-N 410.429 5.635 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](OCc2ccccc2)C3)c1 587366441 UJMIBDUGIUFVSI-QHCPKHFHSA-N 407.469 6.471 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H]3[C@H]4CCC5=C(CCC(=O)C5)[C@H]4CC[C@@]31C)O2 587410208 YWPNBOOBYHEUKZ-QNLVOXFGSA-N 419.565 5.567 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1c(N)sc3c1CCCC3)O2 587414193 LHKSTNWINPJMTL-XMMPIXPASA-N 404.535 5.009 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Oc4ccc(F)cc4Cl)cc1)[C@@H](C2)C3=O 587427002 FURQBCVQOWCCPC-UUOWRZLLSA-N 424.855 5.943 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCc4ccccc4C)c1)[C@@H](C2)C3=O 587441397 FGNOXMPBNSHXBH-FNZWTVRRSA-N 416.473 5.080 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cc(Br)c1O)CC2=O 587456283 MACYQXGKADZHRR-MRXNPFEDSA-N 411.679 5.173 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccc(-c4ccccc4)cc1)([C@@H]1CCCO1)[C@@H](C2)C3=O 587456511 WETMPBBQDHPLBS-DPPGTGKWSA-N 412.485 5.184 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3ccccc3)c(F)c1)CC2=O 587465232 CDFWDQPBRJICKF-SANMLTNESA-N 420.480 5.943 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1OCc1cccc(F)c1)CC2=O 587466843 NFBCVMLPRBHNEQ-SANMLTNESA-N 420.480 5.943 0 1 HKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)cc1Cl 587542886 JSFWOKXGHFYYQV-RXVVDRJESA-N 401.245 5.710 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1cccc(Cl)c1 587546142 IKYPKCVJUMUKIZ-XXBNENTESA-N 418.836 5.139 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(Cl)c1Cl 587554752 JCTYALDUPIXLQA-QRWLVFNGSA-N 405.208 5.541 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=Cc3cc(Cl)ccc3OC2)N1 587698262 NOEQKBIMJGFVRM-DGIBIBHMSA-N 408.698 5.293 0 1 HKAF Cc1cc(F)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587720555 SLJHBYNGTOEJDI-MGNBDDOMSA-N 400.694 5.487 0 1 HKAF CC(C)CCOc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587795798 RQOZONUNFJIZKS-IVZQSRNASA-N 420.366 5.811 0 1 HKAF CCc1cccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587813051 ANMQRPKZHWYGOK-GYCJOSAFSA-N 424.357 5.977 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2(c3ccccc3)CCCC2)N1 587814161 GKZGZBPKZKDEGI-BTYIYWSLSA-N 402.351 5.850 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)Cc2ccccc2-3)N1 587824627 XWWNONCIGMSKAV-ZAMGYDSWSA-N 408.314 5.783 0 1 HKAF Cc1ccc(-c2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)o1 587828463 NKGKSZDQMCCHLC-QKVFXAPYSA-N 400.291 5.780 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccn3)s2)N1 587849178 REDZAPWBPOBHAX-WYRIXSBYSA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CNc1ccc(C)cc1C 587858648 LEGIJXSFWSBKQG-UHFFFAOYSA-N 418.324 5.625 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1cc(C)ccc1Cl 587869852 UBGMANBSWAEARZ-AWEZNQCLSA-N 402.853 5.157 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cccc(C(C)(C)C)c4[nH]3)c2C)c(OC)c1 587929243 LOVRCMABTUGULA-UHFFFAOYSA-N 400.522 6.520 0 1 HKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587951334 SQEULJILDRJDFN-KHYOSLBOSA-N 423.395 6.407 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cccc(O)c2[nH]1 587962454 XSDUVTBJEKIKGM-WWMAXSSBSA-N 418.625 8.123 0 1 HKAF CCCCCCNC(=O)Oc1cccc(-c2ccc([C@H](C)C(=O)O)cc2Cl)c1 653717862 RIPJZAAQKYNYFH-HNNXBMFYSA-N 403.906 5.864 0 1 HKAF Cc1c(F)ccc2c1[C@](C)(c1c(Br)[nH]c(-c3ccncc3)c1C)NCC2 962093047 ONPLFUPOIXQFOH-OAQYLSRUSA-N 414.322 5.004 0 1 HKAF COc1ccc2c(c1OC)[C@H](c1ccccc1Oc1ccccc1C=O)N(C)[C@H](C)C2 962560629 CYLBJJBBVVXIIG-NSYGIPOTSA-N 417.505 5.274 0 1 HKAF CCCCCc1cc2c(s1)CCC[C@]21c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962623638 KRNPSZGAXJTDDX-CRICUBBOSA-N 413.627 5.954 0 1 HKAF Fc1ccccc1[C@]1(Cc2ccccc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962693797 DGSQJFAHYDEBEI-IBVKSMDESA-N 421.556 5.815 0 1 HKAF Cc1cc(Br)cc(F)c1[C@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962718052 RJNXUQQJMAVCDQ-VBKZILBWSA-N 424.354 5.489 0 1 HKAF Cc1ccc(C)c(CC[C@]2(c3cc(F)cc(F)c3)NCCc3nc4ccccn4c32)c1 962992084 WYFHAQVDBITLAF-AREMUKBSSA-N 417.503 5.251 0 1 HKAF CCCc1ccc([C@]2(c3ccccc3Cl)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963115164 URJZTBFTHDAOHJ-WNCULLNHSA-N 419.971 6.744 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccc(C)nc1)c1ccc(OC)c(OC)c1 963230537 PVSDLEGMHPJKEA-NFQMXDRXSA-N 416.565 5.356 0 1 HKAF CCCCOc1cc2c(cc1OC)CCN1Cc3[nH]c4ccc(OC)cc4c3C[C@@H]21 1772592826 ZAHOPWJVSXXWCZ-QHCPKHFHSA-N 406.526 5.020 0 1 HKAF O[C@]1(Cc2ccccc2)CCCCC[C@@]12C=Cc1c(cnn1-c1ccc(F)cc1)C2 1857578257 APXZPYAXPCKNLS-UIOOFZCWSA-N 402.513 5.505 0 1 HKAF O=C(Nc1ccccc1)Nc1ccc(Nc2ncnc3c2Cc2ccccc2N3)cc1 1857747128 XLWLWKVIOBUNNC-UHFFFAOYSA-N 408.465 5.512 0 1 HKAF O=C(Nc1cncc(-c2cc(-c3cccnc3)cs2)c1)c1c(F)cc(F)cc1F 1857772630 WCJBJECTLLTBHS-UHFFFAOYSA-N 411.408 5.542 0 1 HKAF CC(C)(O)[C@@H]1CC=C2[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2Cc4c([nH]c5ccccc45)[C@]23C)O1 2356469230 FDYCJJJTQUSEOV-ZXNNTLIYSA-N 405.582 5.663 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)ccc2c1OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4 2356752723 MNVKKIZBXXYHDP-FNZWTVRRSA-N 420.505 5.966 0 1 HKAF CC(=CCCC(C)=CCCc1ccoc1)CCC=C1CC[C@H]([C@H](C)C(=O)O)OC1 2356805281 ZRECXISCDXJZIP-XUZZJYLKSA-N 400.559 6.491 0 1 HKAF COc1cc(OC)c2c(-c3cccc(-c4ccc(NC(C)=O)cc4)c3)cc(=O)oc2c1 13813772 GOWHQNKQQLXRLR-UHFFFAOYSA-N 415.445 5.103 0 3 HKAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 4214450 QZKUPLNQEUMMEB-RTWAWAEBSA-N 402.535 5.260 0 1 HKAF CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 4215703 IIPZTAMXPAQETP-IWMITWMQSA-N 402.535 5.779 0 1 HKAF O[C@@H](c1cc2ccccc2[nH]1)C(O)(c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1 6576381 LXZAFHVQFKVVEB-VWLOTQADSA-N 407.473 5.100 0 1 HKAF COc1cc(O)c(-c2ccc(OC)c3c(OC)cc(C)cc23)c2c1[C@H](C)N[C@H](C)C2 13359113 XVHCBOXBWSMNHG-CABCVRRESA-N 407.510 5.142 0 1 HKAF biogenic CC(=O)OC[C@@H]1CC[C@H]([C@H](C)CCC=C(C)C)c2cc(C(=O)O)cc(OC(C)=O)c21 15116883 KUKYWGGLHCZNPB-MOXGXCLJSA-N 416.514 5.217 0 1 HKAF biogenic Clc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccncc3)[nH]2)cc1 26570235 XOIYTVPNOPJGPV-UHFFFAOYSA-N 407.904 7.126 0 1 HKAF Cc1ccc(-c2cc([C@@H](O)[C@H]3CCCCN3)c3cccc(C(F)(F)F)c3n2)cc1 27523451 BFDAWTHIDDYAEE-DENIHFKCSA-N 400.444 5.405 0 1 HKAF CC(C)CC(=O)c1ccc(OCCCCOc2cccnc2)c(Br)c1O 28361655 MIASBVBBECLAKG-UHFFFAOYSA-N 422.319 5.017 0 1 HKAF CC(C)c1ccccc1Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)O)cc1 28523408 YSKZRSYYAIUWSE-JWGURIENSA-N 401.462 5.458 0 1 HKAF C[C@]1(C(=O)NC23CC4CC(CC(C4)C2)C3)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12 28527083 YYIDRXGXLIOEDJ-DXYQEDLISA-N 407.598 5.488 0 1 HKAF COc1cccc(-c2nc3c(Cl)cccn3c2-c2ccnc(NC3CCCC3)n2)c1 28703236 SMLNJXMGWIHMTO-UHFFFAOYSA-N 419.916 5.475 0 1 HKAF CN(C(=O)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)c1ccccc1 28826632 PHKISQHLUALIPN-UHFFFAOYSA-N 422.790 6.181 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H]1C(=O)CCC[C@H]1O 28952481 PUKOUYGWBQZNRB-ZPAQWRDUSA-N 416.602 6.158 0 1 HKAF Cc1ccsc1S[C@@H]1C(=O)C[C@](CCc2ccccc2)(c2ccccc2)OC1=O 36124864 WADIZWXIRXMEIC-ZJSXRUAMSA-N 422.571 5.562 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC(=O)N(C)C1=C[C@@H]3C 36189520 FAGYSQSLIMHWHR-SSAQIHSOSA-N 413.690 7.300 0 1 HKAF C[C@@H](NC(=S)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)cc1 36486315 XXYLMLAFWQJDSO-WPBGYSLVSA-N 416.612 5.047 0 1 HKAF O=S(=O)(c1ccc(Cl)cc1)N1N=C2CCCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 43019578 IWHYUTAJNUKGJM-HKUYNNGSSA-N 409.338 5.285 0 1 HKAF CCOc1ccc(N2C(=O)N(c3ccc4c(c3)Cc3ccccc3-4)C(=N)C2=S)cc1 45258766 RVJNKDMWINHSTH-UHFFFAOYSA-N 413.502 5.408 0 1 HKAF CC(C)=CC[C@H]1Cc2c(cc(O)c3c2O[C@H](c2ccc(O)cc2O)CC3=O)OC1(C)C 59777481 CYGYKDZFDJECKM-QKKBWIMNSA-N 424.493 5.196 0 1 HKAF biogenic COc1ccc(/C=C(/c2ccc(C)cc2)c2cc(OC)c(OC)c(OC)c2)cc1O 64503863 QDJXMPSKCNLMFF-NDENLUEZSA-N 406.478 5.324 0 1 HKAF CN(C)c1ccc(C(=O)Nc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 66167352 ZTZKHOQVFOXMSO-UHFFFAOYSA-N 404.901 5.056 0 1 HKAF CC(C)(O)[C@@H]1Cc2cc3cc(-c4ccc(OCc5ccccc5)cc4)oc3cc2O1 72176853 BDFFMMOXMREZKQ-VWLOTQADSA-N 400.474 5.753 0 1 HKAF CN(C)CCCOc1ccc(-c2nnc3ccc(-c4ccc(Cl)cc4)cn23)cc1 82082140 JEORJUXUPMALFP-UHFFFAOYSA-N 406.917 5.047 0 1 HKAF CC[C@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCCc3ccccc3F)ncnc21 82180645 ORXNGMYMWRQUCF-INIZCTEOSA-N 419.504 5.039 0 1 HKAF Cc1ccccc1-c1nc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)ncc1-c1nc(C)c(C)o1 82221579 QJQZCOWGPHUYFD-XSLZUNGDSA-N 416.569 6.206 0 1 HKAF CCOC(=O)[C@H](C)N1C(=O)CC[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 95577063 MLFYCBPIKOBNSQ-UQIDSAAFSA-N 420.336 5.392 0 1 HKAF Clc1ccc([C@@H]2C3=C(CCCC3)Nc3ncn4nc(-c5ccccc5)nc4c32)cc1 103156183 AQLIHCVVNYBWMA-HXUWFJFHSA-N 413.912 5.830 0 1 HKAF Cc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3nc(C(F)(F)F)nn32)cc1 103529844 ZURQVOTVNMCOCK-OXJNMPFZSA-N 424.426 5.671 0 1 HKAF CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccc2)C2=C(O)CC(C)(C)CC2=N1 103544258 MPDMKTMPQMZUDS-XMMPIXPASA-N 415.533 5.917 0 1 HKAF O=C(O)c1cccc2c1oc1c(C(=O)O)ccc(-c3cccc(C(F)(F)F)c3)c12 137592760 SRNOIWBAJYPTRN-UHFFFAOYSA-N 400.308 5.668 0 1 HKAF FC(F)(F)c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1 140133579 BRSRAFPXFWYTJU-UHFFFAOYSA-N 406.411 5.314 0 1 HKAF COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(C(C)C)cc1 169696928 FYEUFXSBGXVIFB-JOCHJYFZSA-N 403.526 5.589 0 1 HKAF CN1CCCC[C@H]1CCN1c2ccc(Cl)cc2Sc2cc3ccccc3nc21 205842785 PTDUAULVBZRNBX-SFHVURJKSA-N 409.986 6.365 0 1 HKAF COC(=O)c1ccc2nc(-c3ccc(-c4c(C)noc4C)cc3)c(NC(C)(C)C)n2c1 299819601 ASVSYFIZOORGAU-UHFFFAOYSA-N 418.497 5.270 0 1 HKAF COc1cc(Sc2c(-c3ccccc3)[nH]c3ccc(F)cc23)cc(OC)c1OC 473105911 TZXGCUNHHRAKBC-UHFFFAOYSA-N 409.482 6.151 0 1 HKAF FC(F)(F)c1cc(Br)cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c12 586888129 WKHNLRVOQYQXME-RDTXWAMCSA-N 407.233 5.716 0 1 HKAF CC(=O)N[C@H](Cc1nc2ccc(C(C)(C)C)cc2[nH]1)c1ccc(Br)cc1 586984500 GHGHKTVVTFHCFX-GOSISDBHSA-N 414.347 5.043 0 1 HKAF Cc1c(-c2ccc(Cl)c(Cl)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586986177 OTRMFTVDNVDQAW-UHFFFAOYSA-N 406.268 6.434 0 1 HKAF Cc1ccc2c3c(cc(Cc4cc(Cl)ccc4Cl)nc13)-c1ccccc1C2=O 586994338 YSBLVOOXLSJPIT-UHFFFAOYSA-N 404.296 6.652 0 1 HKAF Cc1ccc2c3c(cc(-c4nc5ccccc5n4C(F)F)nc13)-c1ccccc1C2=O 586996069 PEZFEJLONQLJIL-UHFFFAOYSA-N 411.411 6.166 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(Br)cc2[nH]1 587014676 OMTAERZDNJIPJO-UHFFFAOYSA-N 404.720 6.078 0 1 HKAF Clc1cnc2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2c1 587017305 KUCHLIMQSVGGRJ-UHFFFAOYSA-N 411.737 5.150 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4nc(Br)ccc4[nH]3)cc2)n1 587020306 MULXPALIQZQUOO-UHFFFAOYSA-N 417.357 5.445 0 1 HKAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)s1 587023125 FMAXDNPETXAUMS-UHFFFAOYSA-N 424.551 6.185 0 1 HKAF Cc1onc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)c1COc1ccc(Cl)cc1 587076900 ZKHCUMWDGSUGHU-UHFFFAOYSA-N 410.207 5.690 0 1 HKAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cccc(C(=O)O)c2[nH]1 587121623 HUFIYDFEHQDECQ-UHFFFAOYSA-N 419.384 5.259 0 1 HKAF Cc1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2cc1Cl 587168156 TVPQRHKQPFGZPK-UHFFFAOYSA-N 421.906 5.193 0 1 HKAF Cc1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2cc1Br 587192809 DQVZBROLQHGQKS-UHFFFAOYSA-N 406.327 5.841 0 1 HKAF O=C1c2ccc(O)cc2O[C@](CC2CCC2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 587356776 RRRSMQVYVUJLBB-AOYPEHQESA-N 402.465 5.976 0 1 HKAF COc1cccc(-c2cc(-c3ccc(-n4ccnc4)cc3)nc3c2oc2ccccc23)c1 587361924 CDPQECZOROWRDC-UHFFFAOYSA-N 417.468 6.509 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](c2ncccc2O)CC3)c1 587362482 GCYSLSQCPVGWPO-KRWDZBQOSA-N 422.484 6.030 0 1 HKAF COc1cccc(-c2c(Cc3ccccc3)c(C(C)(C)C)nc3c2oc2ccccc23)c1 587365289 JBPUZLLEVPQJOZ-UHFFFAOYSA-N 421.540 7.545 0 1 HKAF Cc1ccc(COc2ccc(Cl)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587379980 ZWZQAXUIIBVAAH-HSZRJFAPSA-N 407.897 5.825 0 1 HKAF CC(C)=CCC/C(C)=C\CC/C(C)=C/CC[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587403617 PDXHZSJMBAGZPA-IVRNPRFKSA-N 409.614 7.501 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O 587420482 PXIVNXFTBXXTTC-MBSDFSHPSA-N 411.284 5.693 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Oc4ccc(Cl)cc4)cc1)[C@@H](C2)C3=O 587422961 RVTQEWYARTYHMO-RDPSFJRHSA-N 406.865 5.804 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc3ccccc3c1)CC2=O 587469025 GDOCQLUJXKPIGW-VWLOTQADSA-N 403.478 5.251 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OCc3ccccc3)ccc1O)CC2=O 587480682 OTLAIDHMTSEXND-XMMPIXPASA-N 404.462 5.336 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C=C(SC)SC)(c1cccnc1)CC2=O 587493082 QKJOVIHRBAEBCB-NRFANRHFSA-N 401.553 5.168 0 1 HKAF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN1CCCCC1 587515567 VCWFYAMIXHCQJU-HHHXNRCGSA-N 419.565 5.441 0 1 HKAF CC(=O)N(c1ccccc1)c1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 587534743 FFBSBGSPMUPEFO-JOCHJYFZSA-N 418.518 5.413 0 1 HKAF Cc1cccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)c1C 587587838 OMGMKTIZHUTQBZ-SQHAQQRYSA-N 423.468 5.774 0 1 HKAF Cc1cccc(-c2nc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cs2)c1 587609901 DZEHIJJJUABGCH-REWPJTCUSA-N 415.470 5.527 0 1 HKAF CCOC(=O)Cc1[nH]c2ccc([C@H](C)CC)cc2c1NC(=O)OCc1ccccc1 587642379 LSDFPBPAMTXLGC-MRXNPFEDSA-N 408.498 5.536 0 1 HKAF O=C(c1ccc(-c2ccc(Cl)c(F)c2)cc1)n1ncc2ccc(Cl)cc2c1=O 587651299 GUUZBUGHAOWHNA-UHFFFAOYSA-N 413.235 5.198 0 1 HKAF CCc1ccccc1NC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658489 RRYPWHFXFABSKY-UHFFFAOYSA-N 421.472 5.149 0 1 HKAF Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1Cl 587696875 UQJZYELIFBHLBI-XLFHBGCDSA-N 403.122 5.827 0 1 HKAF Cc1cccc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587709349 LHGQXVBVPDFGHF-DIFFPNOSSA-N 402.229 5.237 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)nc2C(F)(F)F)N1 587714296 PFOGUWQDKMSSKR-UOWDBTKRSA-N 423.635 5.279 0 1 HKAF Cc1ccc(OC(F)F)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587721620 XACQNCATTVQEGE-JEOXALJRSA-N 414.265 5.296 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(F)cc3)s2)N1 587732884 KTEOITMMVDNGTG-BIBXISHDSA-N 420.322 6.079 0 1 HKAF CCc1ccccc1-n1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587752073 BLWLMCVJFZYTJA-PEBXRYMYSA-N 413.334 5.565 0 1 HKAF CCOc1ccccc1OCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587780416 SLEZQRIJYGJXDF-UHFFFAOYSA-N 415.209 5.322 0 1 HKAF Fc1c(Br)ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587783735 FYQXZWCJUQIXIR-JYRVWZFOSA-N 423.285 6.214 0 1 HKAF CCOC(=O)C[C@@]1(CCCC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587793422 FBBPPPYSMHYODK-JLTOFOAXSA-N 414.359 5.097 0 1 HKAF CC[C@H](OC)c1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587794556 OXEYCCBIHWHTOM-LTBCBRHQSA-N 406.339 5.483 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccc(O)cc3)c2)N1 587831485 HPYWEYCVYQXQHA-WHEQGISXSA-N 412.302 5.584 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(-c3ccccc3)s2)N1 587852161 DLMBEKVWDRARCL-ZMZPIMSZSA-N 403.320 5.335 0 1 HKAF CCOc1ccccc1C(=O)n1nc(-c2cc(Cl)ccc2Cl)cc1OCC 587858126 CYECNRASPAKNTF-UHFFFAOYSA-N 405.281 5.343 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc(C)cc1C 587864836 QYMIXCMDVUQULA-UHFFFAOYSA-N 418.415 5.304 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2ccc(C(C)C)cc2s1 587869785 RPXILKYDKFKZAT-UHFFFAOYSA-N 418.444 5.695 0 1 HKAF CC(C)[C@H](O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 888075748 IOWMKBFJCNLRTC-VSJMLYEDSA-N 402.663 6.360 0 1 HKAF Clc1ccc(COc2ccc(Cl)cc2[C@@H]2NCCc3nc4ccccn4c32)cc1 962986470 UIUZVDSHNABGLU-QFIPXVFZSA-N 424.331 5.455 0 1 HKAF C[C@]1(C(Cc2cccc(F)c2)Cc2cccc(F)c2)NCCc2c(C(=O)O)cccc21 963128971 CDPYRSKYWAVCQL-AREMUKBSSA-N 421.487 5.126 0 1 HKAF CN1CCc2c(Br)cccc2[C@]1(c1c(F)cccc1Cl)C(F)(F)F 963279026 FAIMTUSWTHOUEA-INIZCTEOSA-N 422.647 5.535 0 1 HKAF Cc1cc(F)c([C@@H]2c3cccc(Br)c3CCN2C)cc1Br 963279703 JBYYNCNIKUHDAC-KRWDZBQOSA-N 413.128 5.236 0 1 HKAF O=C(c1ccccc1Cl)[C@]1(c2ccccc2Cl)NCCc2cccc(Cl)c21 963390335 HRVQXBZOCCPVRC-JOCHJYFZSA-N 416.735 5.919 0 1 HKAF C[C@H]1[C@H](/C=C/c2ccc(-c3cccc(F)c3)cn2)[C@H]2[C@H](CC1(F)F)C(=O)O[C@@H]2C 1772624656 MCFWIZMCCHEXBK-DAFBQQAXSA-N 401.428 5.370 0 1 HKAF CCN(CC)CCCn1c(Cc2ccc(OC)cc2)nc2cc(C(F)(F)F)ccc21 1857583631 WSVGWSFZSOTXRE-UHFFFAOYSA-N 419.491 5.386 0 1 HKAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]5(CC[C@H](Cc6ccccc6)C5)[C@@]3(C)[C@@](C)(C4)[C@]21O 2356369103 CFYWJOPGYQODMB-WHCHZQNPSA-N 408.582 5.290 0 1 HKAF CC(C)=CCC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356398587 WMXFLZHWFZIIBF-CBQFIYNLSA-N 424.713 8.543 0 1 HKAF O=C(O)C1=CC[C@@H]2C[C@@H]3[C@H](CC[C@H](O)C=CC=Cc4ccccc4)[C@@H]4C=C[C@@H]1[C@H]2[C@H]43 2356401880 ROFUKMLUAVIQAH-ZLQQOVPOSA-N 402.534 5.112 0 1 HKAF CO[C@@H](C=CCCCCCCC=C(Br)Br)[C@H]1CCCO1 2356552413 PEUQTGHGULKWLT-LSDHHAIUSA-N 410.190 5.708 0 1 HKAF CC(C)=CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CC[C@H](C)CC(=O)O)[C@@](C)(O)CC[C@@H]21 2356641701 ZQCLFYPJCVYMSK-GQWCVUJQSA-N 422.606 5.361 0 1 HKAF CCCCC[C@H](O)C[C@H](CCc1ccc(O)c2c1C=C[C@H]1CCC[C@@H]1O2)OC(C)=O 2356656666 XEKQHUBPILNRDJ-XBJMDHIQSA-N 416.558 5.162 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)O3 2356776257 RWSNQTGGDGPKOZ-JMDHTSMZSA-N 412.658 6.542 0 1 HKAF Fc1cc(F)c(CSc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1F 203475335 MZHRBNZOYNUYJP-UHFFFAOYSA-N 412.440 5.098 0 3 HKAF COc1ccc(-c2noc(-c3ccc(C(C)C)cc3)c2C(=O)NC2CCCC2)cc1 773912 IYGQSMRIXYRISW-UHFFFAOYSA-N 404.510 5.813 0 1 HKAF CC[C@@H](C)C(=O)OCCCc1cc(OC)c2oc(-c3ccc4c(c3)OCO4)cc2c1 15149514 MGCSMWCSVJYFBV-OAHLLOKOSA-N 410.466 5.359 0 1 HKAF biogenic Cc1cc(CCN2CCCCC2)ccc1Nc1nccc(-c2c[nH]c3ncccc23)n1 36124423 XJKMKRYBCWBZML-UHFFFAOYSA-N 412.541 5.100 0 1 HKAF Nc1ccc(N(CCc2ccc(Cl)cc2)C(=O)c2csc3ccccc23)cn1 40421070 SZWKARYDIUMUAG-UHFFFAOYSA-N 407.926 5.421 0 1 HKAF COc1ccc2[nH]cc(C(c3cc(F)cc(F)c3)c3c[nH]c4ccc(OC)cc34)c2c1 45261961 FQNRVAMTKQSNQG-UHFFFAOYSA-N 418.443 6.125 0 1 HKAF O=C(O)Cc1sc(N(c2ccccc2)c2ccccc2)nc1-c1ccc(Cl)cc1 49033781 DLFUUJGZDKWHQU-UHFFFAOYSA-N 420.921 6.560 0 1 HKAF O=C(O)c1cnc(NC(=O)[C@H](CC2CCCC2)c2ccc(Cl)c(Cl)c2)s1 49088123 RKKJCQFKGLTEBD-GFCCVEGCSA-N 413.326 5.451 0 1 HKAF CC(C)=CCc1cc2c(cc1O)OC[C@H]1c3cc(C)c(O)c(CC=C(C)C)c3O[C@@H]21 59204852 RBWZJDQLHCNCDG-LVXARBLLSA-N 406.522 6.033 0 1 HKAF biogenic FC1CCN(Cc2ccccc2-c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1 66259450 BWQTUBOCPNZCDY-UHFFFAOYSA-N 403.423 5.696 0 1 HKAF CN1[C@H]2CC[C@@H]1[C@@H](CNc1ccnc(Br)c1)[C@@H](c1ccc(Cl)cc1)C2 68267985 DZCYWZREDUKUMT-ZSYWTGECSA-N 420.782 5.176 0 1 HKAF O=C(Nc1c(Cl)cc(Cl)cc1Cl)C(Cl)(C(F)(F)F)C(F)(F)F 68574241 XQYCFORFLBSFTA-UHFFFAOYSA-N 408.940 5.688 0 1 HKAF biogenic CCCCCCC(C)(C)c1cc(OC)c([C@H]2[C@H]3CC[C@@](C)([C@@H]2O)C3(C)C)c(OC)c1 72315128 VTTPPQRKLCGACC-QFIWYQEWSA-N 416.646 6.852 0 1 HKAF CCOc1ccc(Oc2c(SC)cnn(Cc3cccc4ccccc34)c2=O)cc1 73369268 ILONAZLFNYPUEK-UHFFFAOYSA-N 418.518 5.358 0 1 HKAF Cc1oc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccccc2)nc1-c1ccccc1 82162970 BKXWKPXFHYAHHX-RTBURBONSA-N 424.548 6.256 0 1 HKAF CC1(C)C=Cc2cc(CN(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)ccc2O1 84710425 FFNHSKAHJLZCRC-UHFFFAOYSA-N 423.509 5.405 0 1 HKAF Brc1ccc(C2=N[C@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 84740294 QLUKDRMUMHFMGR-HSZRJFAPSA-N 414.302 6.531 0 1 HKAF Oc1ccc(-c2nc(SCCN(C3CCCCC3)C3CCCCC3)n[nH]2)cc1 103218662 PZFICQZXJNCRKE-UHFFFAOYSA-N 400.592 5.237 0 1 HKAF CSC(=O)c1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1 103239591 HOERNGRSHACVQX-UHFFFAOYSA-N 408.523 5.616 0 1 HKAF COc1ccc(CN(CCCc2ccccc2)CCc2c[nH]c3ccccc23)cc1O 103278857 SDCACUSXJHBJRU-UHFFFAOYSA-N 414.549 5.560 0 1 HKAF CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1 103520877 UYJMKOWCZMEBEM-JOCHJYFZSA-N 402.494 5.269 0 1 HKAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2C)C2=C(O)CC(C)(C)CC2=N1 103996782 MVNAMFJTUFTLRL-VGOFRKELSA-N 409.526 5.162 0 1 HKAF O=C(c1ccccc1-c1ccccc1)N1C[C@H]2CN(c3ccc4ccccc4n3)C[C@@H]2C1 116823342 XNCXEFDPSSQEHF-DHIUTWEWSA-N 419.528 5.110 0 1 HKAF Cc1[nH]n2c(=O)cc(CSc3ccc(Cl)cc3)nc2c1-c1ccc(Cl)cc1 137174961 XDSBYDFRMASRCZ-UHFFFAOYSA-N 416.333 5.597 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-c2ccc(F)cc2)n1 167778239 WICULDIDHDKEFX-OAQYLSRUSA-N 420.484 5.159 0 1 HKAF COc1ccc(F)cc1-c1cccc2nc(Nc3cc(OC)c(OC)c(OC)c3)oc12 169328312 ZQMGSEHFOOINGT-UHFFFAOYSA-N 424.428 5.412 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@H]1CC3 261519757 KLZWTHGLLDRKHD-JUBXPTBQSA-N 412.702 8.089 0 1 HKAF O=C(O)[C@H]1CC[C@H](CNc2nc(-c3ccccc3)cc(-c3cccc(Cl)c3)n2)CC1 299819229 AZVLBCRYPMGBKK-SAABIXHNSA-N 421.928 5.767 0 1 HKAF Cc1ccccc1-c1nc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)ncc1-c1nc(C)c(C)o1 299882826 QJQZCOWGPHUYFD-IODINVCISA-N 416.569 6.206 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cc2)CC1 586881347 UGQVEEMANREUDU-WKILWMFISA-N 412.480 7.015 0 1 HKAF O=[S@@](Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)C(c1ccccc1)c1ccccc1 586958630 GXOOEDFTAMIHLF-LJAQVGFWSA-N 418.415 5.158 0 1 HKAF Cc1ccc2c3c(cc([C@@H]4C[C@@H]4c4c(F)cccc4Cl)nc13)-c1ccccc1C2=O 586994725 DQEMKSHTESHTGS-MSOLQXFVSA-N 413.879 6.818 0 1 HKAF Cc1ccc(-c2nc(-c3nc4ccc(Br)c(O)c4[nH]3)c(C)s2)cc1 587013350 LPMDTXJWAUTJJQ-UHFFFAOYSA-N 400.301 5.438 0 1 HKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c2)cc1 587068132 ZRDIZTATTHLPGC-UHFFFAOYSA-N 418.802 5.941 0 1 HKAF CC(C)Oc1ccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2c1 587082520 QVJXNHKRYNWPAX-UHFFFAOYSA-N 413.908 6.886 0 1 HKAF Cc1ccc(Cc2nc3c(Br)cnc(Cl)c3[nH]2)cc1C(F)(F)F 587094851 JQWYMXCDHLQNHR-UHFFFAOYSA-N 404.617 5.292 0 1 HKAF CC1=CCCC(C)(C)[C@H]1/C=C(/C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099448 ITVIACGBJCHOTM-WTPZTIPBSA-N 407.557 7.540 0 1 HKAF Cc1c(-c2ccc(C(F)(F)F)c(F)c2)nc2cccc3c2c1-c1ccccc1C3=O 587103889 MPTWSKWLBFQGGP-UHFFFAOYSA-N 407.366 6.580 0 1 HKAF C[C@@H](Oc1cccc(C(F)(F)F)c1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104418 SZVBBBIRHHIWCV-CQSZACIVSA-N 419.402 6.605 0 1 HKAF CC(C)Oc1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 587116619 JJTXSYIKQAKMIO-UHFFFAOYSA-N 412.843 5.339 0 1 HKAF FC(F)Oc1ccc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)cc1 587130802 RUSZCIIOZCPIIN-UHFFFAOYSA-N 407.136 5.613 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587189270 AUHQONBOOBVORM-QGZVFWFLSA-N 407.848 5.451 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)O2 587380143 BIGVQMOUTXZKBF-WBVHZDCISA-N 419.321 5.156 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1ccc(Cl)cc1 587381016 ZPZPEAYYUHBPNC-QFIPXVFZSA-N 423.896 5.525 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(Br)c(C)c1)[C@@H](C2)C3=O 587411677 FYORYDGDIJJCAJ-AOMKIAJQSA-N 424.294 5.046 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C3(CCC3)C1)CC2=O 587483905 FGJOSUUQPDETAI-DEOSSOPVSA-N 415.530 5.002 0 1 HKAF O=C1C[C@@](c2ccc(Cl)cc2)(c2cccc(F)c2)Oc2c1ccc1c2CCCC1 587505779 PYZGAFOYIDGTIG-RUZDIDTESA-N 406.884 6.267 0 1 HKAF O=C1C[C@@H](c2ccccc2OCc2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587507680 NVCYUZOUHXBLGG-VWLOTQADSA-N 402.465 5.990 0 1 HKAF COC(=O)c1ccc(-c2ncccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587518149 CARGLARPWUAJAI-QHCPKHFHSA-N 413.473 5.121 0 1 HKAF O=C(COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)c1ccccc1 587525916 WKISECMOWJGCPD-SANMLTNESA-N 412.485 5.534 0 1 HKAF CC(C)(C)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549336 RRFPDGHTAVFBMK-YKSBVNFPSA-N 408.881 5.949 0 1 HKAF Cn1c2c(c3ccccc31)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576519 JGHGVWQMBUQUCG-ZEQKJWHPSA-N 411.457 5.077 0 1 HKAF Cc1ccc([C@@]2(c3ccco3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587614939 DQELZCMVAUFDCN-OZXSUGGESA-N 412.441 5.507 0 1 HKAF O=C(c1ccc(Cl)cc1Cl)c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587628428 KPZXBQLTRPYXOO-UHFFFAOYSA-N 410.581 6.517 0 1 HKAF CC[C@]1(c2cc(F)c(OC)c(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587721287 PKPOYVASJIFPLG-APBUJDDRSA-N 414.265 5.063 0 1 HKAF Cc1ccc(OC(F)F)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587722469 YXKAMQIKYUCCLX-WYRIXSBYSA-N 414.265 5.296 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Br)c2F)N1 587725246 CPMHPPPPEFPETG-VPTHRUTESA-N 417.091 5.113 0 1 HKAF CCc1ccccc1-n1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587756176 REDPCAGVLNDOGW-RCDICMHDSA-N 413.334 5.565 0 1 HKAF Cc1nn(-c2ccccc2)c(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587757541 ONUOFZQOIXQNJT-QKVFXAPYSA-N 414.322 5.014 0 1 HKAF Cc1c(Br)ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c12 587781934 GAJMLGJCXACZHL-UHFFFAOYSA-N 409.283 5.585 0 1 HKAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)cc1 587784217 FWCPAHROYBPZCG-WOJBJXKFSA-N 400.503 5.658 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2c[nH]c3ccccc23)N1 587802922 ONFNJIPEEBRFGX-YEJXKQKISA-N 401.323 5.452 0 1 HKAF CC1=C(CC[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)CCC1 587812218 JFEYGAIRDYCLAZ-OYHNWAKOSA-N 408.399 6.644 0 1 HKAF Cc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 587848990 QQBSSXAPANDSGL-ASSNKEHSSA-N 416.359 6.249 0 1 HKAF Cc1cccc(-c2csc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2)c1 587855272 UENVAWXBAIBHMV-CWTRNNRKSA-N 417.347 5.644 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc(C(F)(F)F)cc1Cl 587868770 SFMDELNXLCFHNO-UHFFFAOYSA-N 422.716 5.029 0 1 HKAF COc1cc2c(cc1OC)[C@@](c1cccc(Cl)c1)(c1cc(C)ccn1)N(C)[C@H](C)C2 962570857 OAGKJBMTWAGPFF-NSYGIPOTSA-N 422.956 5.229 0 1 HKAF Cc1cc(Cl)ccc1[C@]1(C)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963185619 RUOJUCRGRMXPLA-AEFFLSMTSA-N 418.242 5.183 0 1 HKAF CC1(C)OC(=O)N([C@H]2CC[C@H](c3nnc(-c4ccccc4)o3)CC2)[C@H]1c1ccccc1 1772588375 KMFHNUGFNIBTEZ-ACRUOGEOSA-N 417.509 5.735 0 1 HKAF COc1ccc(-c2cc(-c3c[nH]c4ccccc34)nc(-c3c[nH]c4ccccc34)c2)cc1 1772606851 VTEFBKSFTMSHGW-UHFFFAOYSA-N 415.496 7.054 0 1 HKAF CCCOc1cc(C)c2c(c1)CC[C@@](C)(CC/C=C(\C)CC/C=C(\C)C(=O)O)O2 1857579740 JXYNJRKTLXPWRO-CVZCJSSSSA-N 400.559 6.405 0 1 HKAF CC(C)OP(=O)(OC(C)C)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 1857771901 ZDUDPUMEZRYUHW-UHFFFAOYSA-N 410.454 6.782 0 1 HKAF CC(C)=CCCC(C)=CCOc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1 2356403898 XHCAXPZUMUUNKN-QHCPKHFHSA-N 408.494 5.876 0 1 HKAF CC=C(C)C(=O)OC[C@@H]1[C@H](OC(=O)C(C)=CC)CC[C@@H]2Cc3occ(C)c3C[C@]21C 2356451429 GESXOZGUMUECSU-GUQHISFFSA-N 414.542 5.107 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@]2(C)CCCC(C)(C)[C@@H]2CC[C@]13C 2356464950 GNSWPULAOZONLL-IOAYCMFWSA-N 410.730 9.342 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@H](OC(=O)C(C)=CC)[C@@]2(C)[C@@H]1C 2356549810 GEPTVWUAPAVGBV-GHQGFIIBSA-N 414.542 5.625 0 1 HKAF CCCCc1c(-c2ccccc2Br)ncn1CCc1ccccc1OC 95564634 DTPUAKKRLCEWMW-UHFFFAOYSA-N 413.359 5.907 0 3 HKAF CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@H](c1ccc3c(c1)C=CC(C)(C)O3)O2 13411937 KIUWIMKWIXAROQ-OAQYLSRUSA-N 406.478 5.497 0 1 HKAF biogenic CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SCc1ccco1 13517547 PZFYXVJBUZGUQW-DOFZRALJSA-N 400.628 8.185 0 1 HKAF CCCC(CCC)n1c(CC)nc2c1C(=O)N(C)CN2c1ccc(OC)cc1Cl 13582834 GEYTYQVIVZOMQN-UHFFFAOYSA-N 418.969 5.430 0 1 HKAF C[C@@H]1CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](CN2CCCC2)c2ccccc21 13726257 HHXMAUKRPCOLOF-ZHRRBRCNSA-N 417.380 5.319 0 1 HKAF CC(C)N(CC[C@@]1(c2ccc(-c3ccccc3)cc2)C[C@H]2CCCCN2C1=O)C(C)C 26265423 WYIANLZLPPZWJB-IAPPQJPRSA-N 418.625 5.885 0 1 HKAF CCCCn1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c2cccc(C)c21 28468193 AOXSCJZNRWXTAM-UHFFFAOYSA-N 403.570 5.228 0 1 HKAF CC/C(=C(\c1ccccc1)c1ccc(OC(C)=O)c(OC(C)=O)c1)c1ccccc1 28768594 TUCKXLVHOFDDFI-RWEWTDSWSA-N 400.474 5.906 0 1 HKAF COc1ccc2cc([C@H](C)c3nnc4sc(Nc5ccc(F)cc5)nn34)ccc2c1 28823137 JEOOJKBAWGSLSI-ZDUSSCGKSA-N 419.485 5.382 0 1 HKAF CC[C@@]1(C[C@](O)(Cc2cc3ccncc3[nH]2)C(F)(F)F)CCCc2ccccc21 28826156 LKWHUBUSWATGLU-FCHUYYIVSA-N 402.460 5.473 0 1 HKAF CNc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 36323640 CLGSBTDEYZSYHA-NSOVKSMOSA-N 411.593 5.113 0 1 HKAF CCCc1cc(N)c2cc(N(C)C(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1 36351721 UJUPGKNLQQLKHP-UHFFFAOYSA-N 415.459 5.384 0 1 HKAF Cc1ccc2ccccc2c1-c1cccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1 59570262 KNSQGETUHCUBIQ-QFIPXVFZSA-N 424.496 6.345 0 1 HKAF Clc1ccc(-n2nc3c4c(ncc3c2Oc2ccccc2Cl)CCCC4)cc1 66076661 MVZSJFATYMUQIC-UHFFFAOYSA-N 410.304 6.398 0 1 HKAF S=c1n(CN2CCCC2)nc(-c2cccc(Cl)c2)n1-c1ccc(Cl)cc1 66100268 YMSGAFSULONYBY-UHFFFAOYSA-N 405.354 5.430 0 1 HKAF COc1cc(Cn2c(-c3ccccc3)nc3cc(Cl)ccc32)cc(OC)c1OC 95553241 WZWAHFCNMPCFAD-UHFFFAOYSA-N 408.885 5.431 0 1 HKAF Cc1c(COc2ccc(F)cc2F)oc2cccc(OCCNCc3cccnc3)c12 98084823 KPMFEKYGXVPLAB-UHFFFAOYSA-N 424.447 5.162 0 1 HKAF CCCCCCc1cc2cc(Br)ccc2n1C(=O)C[C@H](C)CC(=O)O 103270849 AEVIWUPAAFUWFT-AWEZNQCLSA-N 408.336 5.668 0 1 HKAF COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 103921364 BPHLJPNHXSEYKL-AREMUKBSSA-N 424.500 6.165 0 1 HKAF Cc1cnc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)o1 105199489 MWVZFHQXDFQCKW-BPQOCRPUSA-N 406.505 5.729 0 1 HKAF CCCc1ncc(Cc2coc3ccc(C)cc3c2=O)c2cc(OC)c(OC)cc12 145124281 CRZBNBJIBAJIEM-UHFFFAOYSA-N 403.478 5.210 0 1 HKAF [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3cccc(Cl)c3)o2)[C@H](C)O)c(C)c1Cl 146547186 UBVVUUVVKUTOIC-APPDUMDISA-N 403.269 5.437 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-c2ccccn2)c1F 167626926 AGDHLORZIGVLKC-HXUWFJFHSA-N 420.484 5.159 0 1 HKAF COc1cc(CNc2ccc(-c3nn(C)cc3-c3ccncc3)cc2)nc2ccccc12 169324865 VOXQCNDLULGPJN-UHFFFAOYSA-N 421.504 5.318 0 1 HKAF CC/C1=C(/c2ccc(O)cc2)c2ccc(OCCN(C)C)cc2CCc2ccccc21 169366384 ZDROAKFIIGQBAK-AZPGRJICSA-N 413.561 5.800 0 1 HKAF CCCCC[C@H](C)[C@H](C)c1cc(NC(C)=O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 221658469 GWAZHDZAZQUESD-QYZOEREBSA-N 411.630 7.710 0 1 HKAF Cc1cccc2oc(=O)c3c(c12)O[C@@]1(C(=O)CC(C)C)O[C@@H]3[C@H]2C(=CC[C@@H]2C)[C@H]1C 238746678 RNMCIHINZSRFRU-OISJOXAXSA-N 408.494 5.095 0 1 HKAF CC1=C2C=CC(C)(C)C[C@H]2[C@]2(C)CC[C@]3(C)[C@H](CC[C@]4(C)[C@@H](C)[C@@H](O)CC[C@H]34)[C@@]2(C)C1 238761747 LASASEMNAMQDFY-MBVQSDBHSA-N 424.713 7.945 0 1 HKAF CC(C)=C[C@@H]1C[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)[C@]2(C)C1 238785124 OKCACFSXHRZGFR-VRVVVGJHSA-N 401.638 7.807 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](CO)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 255205773 DIHBDVABCMVSNH-JKFJXHQOSA-N 414.718 7.738 0 1 HKAF CC(=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O[C@H]1CCCCO1 299867604 YJOOXYSHYORGHI-PLHBQYDQSA-N 416.602 5.325 0 1 HKAF CC(C)CCOc1cc2nc(CCc3cccc(O)c3)[nH]c2cc1Br 586896356 BQUOIPAYTHHBMC-UHFFFAOYSA-N 403.320 5.241 0 1 HKAF FC(F)(F)c1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cn1 586976489 UZEIJDDERSUWMT-UHFFFAOYSA-N 411.008 5.713 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cccc(C(F)(F)F)c3F)nc3ccc(O)c1c23 586986395 LTXQLKPTGADMRA-UHFFFAOYSA-N 409.338 5.977 0 1 HKAF FC(F)(F)C(F)(F)c1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cn1 587048048 FVWMYCDCGAMUQE-SFYZADRCSA-N 422.184 6.190 0 1 HKAF Fc1cc2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc2cc1Cl 587050521 RJOOSQXHFSOXIR-UHFFFAOYSA-N 407.275 7.496 0 1 HKAF Oc1ccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(Cl)c1 587053632 HFWKJSGKLYRUCD-UHFFFAOYSA-N 407.573 5.250 0 1 HKAF Clc1ccccc1OCc1ccc(-c2nc3c(Br)cncc3[nH]2)o1 587065127 UMOSWGPDFSGNER-UHFFFAOYSA-N 404.651 5.213 0 1 HKAF Cc1ccc(-n2nnc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2C)cc1 587103907 CCOXOGVCLKTUKH-UHFFFAOYSA-N 402.457 5.311 0 1 HKAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587114021 QBIDFEFUHLJXEF-LBPRGKRZSA-N 407.745 5.496 0 1 HKAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(Br)cnc2[nH]1 587121666 JRKVEFDVAMCSPV-UHFFFAOYSA-N 423.192 5.143 0 1 HKAF CCCCOc1cc2nc(Cc3ccc(OC)cc3F)[nH]c2cc1Br 587149408 RXPGAKWKWZIMQC-UHFFFAOYSA-N 407.283 5.243 0 1 HKAF N[C@@H](N=O)c1ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 587157539 AGXBCPHZSQRAOY-PMACEKPBSA-N 410.836 5.248 0 1 HKAF Fc1cc(Br)cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 587161340 PUMYTZTYKXYJQM-UHFFFAOYSA-N 410.115 5.181 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587192453 UEUDOUKHQJFXAD-OAHLLOKOSA-N 407.301 5.221 0 1 HKAF Oc1c(Br)ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 587192815 FFRJVWFDYLJURB-UHFFFAOYSA-N 408.299 5.238 0 1 HKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cncc(Br)c3[nH]2)c1 587238754 OKNUPTFIWSUYKO-UHFFFAOYSA-N 408.303 5.330 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCCc3ccc(F)cc32)[C@H]1c1ccc(F)cc1 587329151 CJJMCVVGDJWSMC-UKILVPOCSA-N 406.428 5.651 0 1 HKAF Cc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352864 JYKWNDMDLVWIHN-XCZPVHLTSA-N 424.471 6.142 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C2CCOCC2)[C@@H]1c1ccc(F)cc1 587361419 YNKXIULHHNQYKK-AOYPEHQESA-N 418.464 5.212 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cc(Br)cc1Cl)O2 587376609 JTFYLBUPVWYBHH-AWEZNQCLSA-N 401.087 5.353 0 1 HKAF CCCc1c(O)ccc2c1OC(c1ccc(NC)cc1)(c1ccc(NC)cc1)CC2=O 587471893 WMOCFCPAVKZEHG-UHFFFAOYSA-N 416.521 5.337 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3ccccc3nc1N1CCCCC1)CC2=O 587474637 IZWFNBZPPLAWBW-XMMPIXPASA-N 416.521 5.590 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1nn(Cc3ccccc3)c3ccccc13)CC2=O 587479416 ZJTVWFJCLSIZFT-XMMPIXPASA-N 412.489 5.449 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)CC2=O 587480242 OBFWSGBKUUPLFK-XMMPIXPASA-N 418.489 5.639 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1-c1ccc(C(=O)O)cc1)CC2=O 587487731 IABUKAYXTQZQFJ-AREMUKBSSA-N 416.473 5.591 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(SC)cc3)cc1)CC2=O 587489104 AWSICGUZPQXLGP-XMMPIXPASA-N 404.531 6.440 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1sc(Nc3ccccc3)nc1C)CC2=O 587493016 FEQCZHVXDCDDOK-QHCPKHFHSA-N 408.523 5.734 0 1 HKAF O=C1C[C@H](c2ccc3ccn(Cc4ccccc4)c3c2)Oc2c1ccc1c2CCCC1 587516461 TVMHKORNLHFPCT-HHHXNRCGSA-N 407.513 6.275 0 1 HKAF Cc1ccc(CN2C(=O)[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc32)cc1 587518713 NXFCUWHODCOBEX-NDEPHWFRSA-N 423.512 5.281 0 1 HKAF CCCCCCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587520489 CXRBEDUYSLXTGE-DEOSSOPVSA-N 408.538 6.240 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(F)cc1 587574054 YKUVMRUWYPITGF-URXFXBBRSA-N 401.393 5.025 0 1 HKAF Cc1cc(C)c2c(c1)CC(C)(C)C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603587 NVQKPHMKJLKGNF-YIXXDRMTSA-N 414.501 5.839 0 1 HKAF C[C@]1(c2cccc(-c3ccccc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604814 YVRFNPOITDVQBG-RPLLCQBOSA-N 408.453 5.936 0 1 HKAF Cc1c(-c2cc(F)cc(Br)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587623004 WFEVTKLMOLOXDK-UHFFFAOYSA-N 423.083 5.684 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cccc2N2CCCC2)N1 587695803 SDSXGISFRPQENX-FKIZINRSSA-N 423.757 5.465 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)c(C(F)(F)F)c2)N1 587713598 STVABSKJMFXWBU-VVVCHXIZSA-N 420.219 5.544 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(C(F)(F)F)ccc32)N1 587717265 WUJJNUINIBYUML-MGNBDDOMSA-N 414.240 5.331 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3F)s2)N1 587725131 BMMLHBFNLOZFDQ-YBTHPKLGSA-N 420.322 6.079 0 1 HKAF CCc1nc2cccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2o1 587776211 BXAWZTYYGDFBGL-YBTHPKLGSA-N 403.295 5.090 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccccn3)o2)N1 587848116 ZQDNQHCVHPTDFW-JEOXALJRSA-N 419.319 5.351 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2sc2ccccc32)N1 587857629 LZFAFLFTLPIMGY-XUSGNXJCSA-N 416.359 5.917 0 1 HKAF O=C(c1ccc(-c2ccc(Cl)c(F)c2)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587874175 RGOQGIAMNUOJHR-UHFFFAOYSA-N 408.791 5.943 0 1 HKAF CCCC1=N[C@@H]2C(C)=CC(C)=NN2[C@H]1Cc1ccc(-c2ccccc2C(=O)O)cc1 653887582 RSSZOEFGMIZGSL-ZEQRLZLVSA-N 401.510 5.182 0 1 HKAF COc1ccc2c(c1OC)[C@](c1ccccc1)(c1ccc(C)cc1C)N(C)[C@@H](C)C2 962622324 BRBMCNSWVFRFOL-DCFHFQCYSA-N 401.550 5.489 0 1 HKAF Clc1c[nH]c2nccc-2c1[C@H]1c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962633335 LOKWJZPIFMEJHY-NTKDMRAZSA-N 414.940 5.004 0 1 HKAF Cc1cc(O)nc(SC[C@]2(C(C)(C)C)NCCc3cccc(-c4ccccc4)c32)n1 962661658 CZYGNJWQDADLLT-VWLOTQADSA-N 419.594 5.337 0 1 HKAF CCC[C@@H](C[C@@H]1c2ccsc2CCN1Cc1cccnc1)NC(=O)OC(C)(C)C 962995241 MPPHTUCCPVUSEP-AZUAARDMSA-N 415.603 5.326 0 1 HKAF Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)NC4CCCCC4)cn3)n2)s1 1772584980 LNNYWNHLRWZJCX-UHFFFAOYSA-N 413.572 5.085 0 1 HKAF Clc1cc(Cl)cc(CN[C@H]2CCC[C@@H](c3nc4ccc(Cl)nc4[nH]3)C2)c1 1772602000 RYGMQGKMDCABQZ-DOMZBBRYSA-N 409.748 5.734 0 1 HKAF O=C(NOCc1ccccc1Cl)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1857607467 SIMHKFGRKBQGRA-UHFFFAOYSA-N 421.859 5.193 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@H]4C(=O)[C@@](C)(CC[C@@H]4O)[C@H]3CC[C@]21C 2356333750 VPKWIKLBCGVCGU-OGRNAEMSSA-N 414.630 5.459 0 1 HKAF CCCCNC(=O)[C@@](CC)(ONc1ccccc1C(F)(F)F)c1ccccc1OC 36387718 UDGGIOTWSHJTIA-NRFANRHFSA-N 424.463 5.279 0 3 HKAF COc1ccc([C@](C)(NC(C)=O)c2nc(-c3ccc(F)c(Cl)c3)cs2)cc1 61904542 WZLJLRWDBQPNQC-FQEVSTJZSA-N 404.894 5.011 0 3 HKAF Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 13534509 XSBASBOWWXNYNW-UHFFFAOYSA-N 421.500 5.258 0 1 HKAF Nc1ccccc1NC(=O)CCCCCCC(=O)c1ccc(-c2ccccc2)cc1 13588614 GJRNLVQHVDGGNK-UHFFFAOYSA-N 400.522 6.098 0 1 HKAF O=C(O)c1ccc(C(=O)c2ccc(OC(c3ccccc3)c3ccccc3)cc2)cc1 13679779 RSHGTUVDNJDFHP-UHFFFAOYSA-N 408.453 5.784 0 1 HKAF in-vivo CC(C)(C)c1ccc([C@@H](c2cccc(O)c2)N2CCN(Cc3ccccc3)CC2)cc1 22939106 PNVIEMCZBRMSPB-MHZLTWQESA-N 414.593 5.597 0 1 HKAF in-vivo COc1ccc(C2(c3ccc(OC)cc3)C[C@@H]3c4ccccc4[C@H]2c2cccc[n+]23)cc1 26647712 AJPRCVPCFLEYGE-IZLXSDGUSA-N 420.532 5.416 0 1 HKAF C[C@H]1C(=O)c2c([nH]c3ccc(Cl)cc3c2=O)C[C@H]1c1ccc(Cl)cc1Cl 27084074 MGDOHBDZYQVUPU-NOZJJQNGSA-N 406.696 5.647 0 1 HKAF CC(C)(C)c1ccc(CNCCCNC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 28455503 YQARBAZDGMJBCH-UHFFFAOYSA-N 407.480 5.304 0 1 HKAF CCCN1N=C2/C(=C/c3ccc(Cl)cc3)CSC[C@@H]2[C@@H]1c1ccc(Cl)cc1 29254226 AMICBVLQRJCZEG-IZTRUXSPSA-N 417.405 6.563 0 1 HKAF COC(=O)[C@@H](Oc1ccc(F)cc1)c1ccc(Oc2cccc(C(F)(F)F)c2)cc1 39242747 JWRBAGIWGHIPEJ-FQEVSTJZSA-N 420.358 5.930 0 1 HKAF CN(C)c1ccc(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)c3ccccc32)cc1 40394320 MTDHRYOBSFKHHT-MUUNZHRXSA-N 418.540 6.093 0 1 HKAF CC1=NN(C(=O)Nc2cccc(Cl)c2)C(C)=NN1C(=O)Nc1cccc(Cl)c1 40504866 JYHTVGLROYOOBD-UHFFFAOYSA-N 419.272 5.042 0 1 HKAF COc1ccc(-c2cccc(C(=O)N[C@H](CCN(C)C)c3ccc(C)cc3)c2)cc1 45287577 VJUTXDOZMRWGBD-RUZDIDTESA-N 402.538 5.093 0 1 HKAF CCOc1cc2ncnc(Nc3cc(Cl)c(Cl)c(Cl)c3)c2cc1OCC 45302820 XYEKHYXYFRDEEY-UHFFFAOYSA-N 412.704 6.131 0 1 HKAF CCCOc1ccc(Oc2ccc(-c3ccc([C@@H](C)NC(=O)COC)cc3)cn2)cc1 45321002 GIFITHLBBCNHQQ-GOSISDBHSA-N 420.509 5.153 0 1 HKAF Oc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1 53313115 PSWCNYTWNWKUHT-UHFFFAOYSA-N 407.473 5.917 0 1 HKAF CC(C)CN(C)c1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(F)cc2)n1 82164242 BETNYEJAOUJWPD-UHFFFAOYSA-N 418.541 6.165 0 1 HKAF CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(OC)cc2)cs1 82193586 KUYPKEMOPPAFGV-UTKZUKDTSA-N 415.603 5.120 0 1 HKAF CCCC(=O)c1ccc2c(c1)sc(=O)n2CCCCCCN1CCCCCC1 96916515 MLQDXVXICJJVEK-UHFFFAOYSA-N 402.604 5.482 0 1 HKAF Fc1ccccc1N(Cc1ccc(Cl)c(Cl)c1)Cc1nc2ccccc2[nH]1 96922629 JPPDFNPVWNFTPY-UHFFFAOYSA-N 400.284 6.216 0 1 HKAF CCCCCCC(=O)OC[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@H]2CC[C@H]1N2C 101492306 HDABHKBEYPDLDS-DCXXXQMHSA-N 412.401 6.073 0 1 HKAF CO[C@@]1(c2ccc(SC)cc2)C=CC(C2CCCCC2)(C2CCCCC2)OC1 103205172 BLOVOANZLUHAEW-DEOSSOPVSA-N 400.628 6.736 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2cccnc2)C[C@H](c2ccc3c(c2)OCO3)C1 103998807 WPXIGLRUJWWBDD-GKVSMKOHSA-N 411.461 5.439 0 1 HKAF O=S(=O)(c1ccc(F)c(F)c1)c1cnc2cc(F)ccc2c1-c1ccccc1F 115925191 UHBOTPLYLVZYKU-UHFFFAOYSA-N 417.383 5.291 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 122173311 SGNBVLSWZMBQTH-BTQQYVALSA-N 400.691 7.635 0 1 HKAF CCC/C=C/C=C/C(=O)O[C@@H]1C[C@H]2[C@@H](CCCC[C@H](O)CCC)CCC[C@H]2N[C@H]1C 136949105 RLTXIRPCJHXWEP-AFEGZDPGSA-N 419.650 5.699 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](NC(=O)C5CC5)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 141917616 HBFFUWQBSGHGOQ-ZAXFPZCXSA-N 418.625 6.012 0 1 HKAF Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ccccc2Cl)s1 142598334 GJOWYFYOGGCDOK-UHFFFAOYSA-N 411.889 5.860 0 1 HKAF CC(C)=CCc1cc(-c2cc(O)c3c(c2)C=CC(C)(C)O3)cc2c1OC(C)(C)C=C2 147974000 ALXVGKQZPCQVFB-UHFFFAOYSA-N 402.534 6.936 0 1 HKAF COc1cccc(OC)c1[C@H]1CCC(=O)N1Cc1ccc(Oc2ccccc2)cc1 166850515 QDIASNGSQGQKNP-OAQYLSRUSA-N 403.478 5.360 0 1 HKAF COc1cncc(-c2cnn3ccc(Nc4ccc(Oc5ccccc5)cc4)nc23)c1 168189851 RMWQPGUJSFMOPW-UHFFFAOYSA-N 409.449 5.336 0 1 HKAF CC(C)c1ccc(C(=O)C[C@H](C(=O)NC2CCCCC2)n2ccnc2)c(C(C)C)c1 169333834 BQTOVSHIMVRGPL-HSZRJFAPSA-N 409.574 5.393 0 1 HKAF CC(=O)OC[C@@H]1[C@@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccccc2)cc1)C3 195319588 KUMJBZOBGCDDHP-SYVLFEKPSA-N 401.550 5.421 0 1 HKAF C/C=C(\C)[C@H](O)[C@H](C)/C=C(C)/C=C/C[C@H](C)/C=C/c1oc(OC)c(CC)c(=O)c1C 195344302 RZWLIPXWCCRKLN-JFRYHERVSA-N 414.586 6.024 0 1 HKAF O=C1c2cc(-c3ccc(C(F)(F)F)cc3)c(F)cc2OCCN1Cc1ccccc1 206188352 AZFYQDHEBOTMHA-UHFFFAOYSA-N 415.386 5.546 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1C/C=C/[C@@H]2CC=C3C[C@H](O)CC[C@]3(C)[C@H]2CC[C@@H]1C)C(C)C 238759391 KWSDAMSVPQVEBE-CXJJRCCZSA-N 414.718 8.191 0 1 HKAF O=[S@@](c1ccc(C(F)(F)F)cc1)c1c(O)c(-c2cccnc2)cc2ccccc12 299838347 QEFKDTKXOPFLDU-LJAQVGFWSA-N 413.420 5.793 0 1 HKAF Fc1ccc(Oc2ccc(-c3noc(-c4ccc(Br)cc4)n3)cc2)cc1 299858293 DOVGVUQKDDCXBK-UHFFFAOYSA-N 411.230 6.098 0 1 HKAF CC1(C)C[C@H](c2ccccc2)C(CN2CCC(c3noc4cc(F)ccc34)CC2)=NO1 473081260 BELOOOVTNYOWCO-OAQYLSRUSA-N 421.516 5.485 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(Cl)cc(Cl)cc2[nH]1 586979780 BACKAEXYUYCZEI-UHFFFAOYSA-N 421.125 6.398 0 1 HKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc3c(cc2[nH]1)OCCO3 586982938 SBXYXRCHRROOSE-HNNXBMFYSA-N 415.331 5.469 0 1 HKAF CCCCCCc1ccc(O)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586989978 BTRWSUGGCCWTSG-UHFFFAOYSA-N 423.512 6.647 0 1 HKAF Cc1c(F)ccc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c12 587059630 XOQGKXBEYZVSIV-UHFFFAOYSA-N 402.256 5.194 0 1 HKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(Cl)cc(Br)c2[nH]1 587061901 KYRPDGRIIHIFAE-ZDUSSCGKSA-N 400.103 6.162 0 1 HKAF Cc1cc(Cl)cc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 587071649 MHDPRFTUKINOMY-JZBCCQEESA-N 405.756 7.198 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(F)c(Br)c2[nH]1 587075678 KXYVVLHKSAHTKR-UHFFFAOYSA-N 405.658 5.279 0 1 HKAF Cc1c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cnn1-c1ccc(Cl)cc1 587076556 WJBJXHUASCVDGM-UHFFFAOYSA-N 423.648 5.418 0 1 HKAF Cc1ccc2c3c(cc(-c4cccc(N5CCOC5=O)c4)nc13)-c1ccccc1C2=O 587096314 HDGNXXFMKQTIMU-UHFFFAOYSA-N 406.441 5.378 0 1 HKAF Cc1ccc2c3c(cc(-c4cnn(-c5ccccn5)c4C)nc13)-c1ccccc1C2=O 587098768 WAVGLPREIXUFHD-UHFFFAOYSA-N 402.457 5.311 0 1 HKAF FC(F)(F)c1cc(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)cc(C(F)(F)F)c1 587109642 IMCIRXCIQRLVRR-UHFFFAOYSA-N 413.148 6.498 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(SC)cc4[nH]3)c(F)c2)c1 587147280 JZNCCNIFOLOBOJ-UHFFFAOYSA-N 408.454 5.465 0 1 HKAF Fc1ccc2c(c1)C[C@@H](c1nc3cc(OC(F)(F)F)cc(Br)c3[nH]1)O2 587173845 KDMOAVJKKNQBSH-ZDUSSCGKSA-N 417.156 5.039 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccccc2F)(C2CCCC2)[C@H]1c1ccc(F)cc1 587329302 DMJLQXGYHQZRAC-AHWVRZQESA-N 420.455 6.115 0 1 HKAF C[C@@H]1CCC[C@H](N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 587345384 OXVOQUNBUABPLD-VWQFJMCTSA-N 423.528 5.304 0 1 HKAF COc1cccc(-c2cc([C@@H]3CCc4ccccc4C3=O)nc3c2oc2ccccc23)c1 587365855 JKDRAKUVSNOLDB-NRFANRHFSA-N 419.480 6.569 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)c(Br)c1)(C1CC1)[C@@H](C2)C3=O 587414515 VYKROGDDGUECMI-XOBRGWDASA-N 419.702 5.164 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)cc1OC(F)(F)F)CC2=O 587464283 NCLAUYLXIRJFJC-MRXNPFEDSA-N 400.780 5.603 0 1 HKAF O=C1C[C@@]2(CCCOc3ccc(Br)cc32)Oc2c1ccc1c2CCCC1 587495646 FIFKYNXGOZTQDG-JOCHJYFZSA-N 413.311 5.361 0 1 HKAF CC(C)[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1ccc3c(c1O2)CCCC3 587517709 SLDJBWZYPPBMPK-NLFFAJNJSA-N 413.558 5.325 0 1 HKAF COc1ccccc1/C=C1/N2CCC(CC2)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526399 PLVIVVZSMHEJDE-QPJBPQEWSA-N 415.533 5.045 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1c(Cl)cc(Cl)cc12 587552261 PGOKGVQUBACHHJ-DENIHFKCSA-N 413.256 5.502 0 1 HKAF CCOc1nc2ccccc2cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586602 KUURLYLWJMJMOT-XUZZJYLKSA-N 413.429 5.042 0 1 HKAF Cc1ccc([C@@]2(C3CCCCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587603038 MNVPZQBSZLVFIJ-SHQCIBLASA-N 414.501 6.138 0 1 HKAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccc(F)cc1Br 587622293 IIGNYEXWNXOVBG-UHFFFAOYSA-N 423.083 5.684 0 1 HKAF CCOC(=O)C(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2c(C)cc(Cl)cc12 587623892 SRIXHIBTNHJLKH-UHFFFAOYSA-N 410.684 5.849 0 1 HKAF CC(C)C[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587703528 QSHWMMKYVYBCSL-ZUOKHONESA-N 410.758 6.066 0 1 HKAF Cc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587709250 JTPGXJKUYZRTDD-DYZYQPBXSA-N 420.219 5.376 0 1 HKAF CC[C@]1(c2ccccc2C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587711007 IOIMAPHVCLVCPX-BBATYDOGSA-N 416.256 5.795 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(F)c(F)c(F)c(F)c2F)N1 587717771 GTQHKTJMYQOUJY-QVHKOIDPSA-N 424.182 5.081 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2OCC2CC2)N1 587727088 AHFTXRWOTQUQGU-BIBXISHDSA-N 408.286 5.140 0 1 HKAF COc1ccc(-c2cccc(-c3nc4ccc(Br)c(F)c4[nH]3)c2)cc1O 587785520 BAWMEOJTBJBHPW-UHFFFAOYSA-N 413.246 5.513 0 1 HKAF CCCOc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)CCC2 587792386 KRLSOTQYUWLNNA-XMHCIUCPSA-N 418.350 5.489 0 1 HKAF CC(C)C[C@]1(CCc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587814751 VIIJZSXHQAPDBT-ZHRRBRCNSA-N 404.367 5.997 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(Cc3ccccc3)CC2)N1 587817060 HSBJEVZPPNLITQ-RMQYNXQMSA-N 402.351 5.751 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(OC)c(OC)cc4[nH]3)c2C)c(OC)c1 587931249 ZYZRTKDRVZTLGL-UHFFFAOYSA-N 404.466 5.240 0 1 HKAF CN(C)[C@H](Cn1c(O)cc(C2CCCCC2)c1O)c1cccc(Br)c1 587939706 KNIYKYBJRFXNCB-GOSISDBHSA-N 407.352 5.012 0 1 HKAF O=C(O)CCCCCCCCCCCCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587957723 REJZMMFLVWBHLE-UHFFFAOYSA-N 410.461 5.803 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(N)ncc2[nH]1 587959303 LDRNENZNCQKENZ-XSCOUVMYSA-N 418.629 7.394 0 1 HKAF Cc1c2cc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)ccc2nn1C1CC1 653717475 NLQGIADBJJOEFQ-UHFFFAOYSA-N 405.885 5.063 0 1 HKAF Cc1ccc(-c2csc([C@H]3c4ccsc4CCN3Cc3cccn3C)n2)cc1 962399032 PKGSAKIAKQHHIU-JOCHJYFZSA-N 405.592 5.666 0 1 HKAF COc1ccc([C@@]2(CCCCCC(=O)O)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963100626 BXMALHHMULQWOF-CPJSRVTESA-N 411.517 5.134 0 1 HKAF FC(F)(F)[C@@]1(Cc2nc3ccccc3o2)NCCc2c(Cl)cc(Cl)cc21 963101506 COMDHZSBQUQHPG-KRWDZBQOSA-N 401.215 5.281 0 1 HKAF C[C@@]1(Cn2c(C(F)(F)F)nc3ccccc32)c2c(F)cccc2C[C@H]2CCCN21 963112351 SGHSYFWPIWIVOP-QVKFZJNVSA-N 403.423 5.130 0 1 HKAF CCCCCc1ccc([C@]2(c3ccc(Cl)cc3)NCCc3ccc(O)cc32)cc1 963329081 KUFOBVXJIDWEPO-AREMUKBSSA-N 405.969 6.216 0 1 HKAF Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3c(C)cccc32)cc1 1772601642 OAILZIXLSBGBEW-HSZRJFAPSA-N 414.505 5.030 0 1 HKAF C[C@H]([C@@H](O)CCC(C)(C)C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1857536514 SWBPHHNEYRLOHW-PZMOGJOMSA-N 416.690 6.750 0 1 HKAF CCCC(=O)N1CCC(c2c(C)nc3c(OCc4ccccc4C)cccn23)CC1 1857538588 ZUMIGFIHSGEFJV-UHFFFAOYSA-N 405.542 5.036 0 1 HKAF Clc1ccc(CO[C@@H](c2cccs2)c2cc3ccccc3nc2Cl)cc1 1857569231 ZOGXKBMPGKLMPO-HXUWFJFHSA-N 400.330 6.909 0 1 HKAF O=C(O)c1ccc2c([C@@H](CC(F)(F)F)c3cccs3)c(-c3ccccc3)[nH]c2c1 1857621748 UZDWXEKREUGZER-INIZCTEOSA-N 415.436 6.679 0 1 HKAF CC(C)=CCCC(C)=CC=CC1=C[C@@]2(C)C[C@@]1(C)[C@H](C=C(C)CCC=C(C)C)CC2=O 1857623148 XWYRFBXKAWNVEG-CCNCKIRNSA-N 420.681 8.860 0 1 HKAF CC[C@@H](C)CC1=NC[C@H](CCCCN2C[C@@H](C)N(CCCCC(C)C)C2=S)N1 1857656629 NQSOQPAOCPKWEI-NJYVYQBISA-N 408.700 5.081 0 1 HKAF CC(=CCN1[CH]N(C)c2ncnc(N)c21)CC[C@]1(C)C2=CCCC(C)(C)[C@H]2CC[C@H]1C 2356304608 UZYCIJHYYJMHIN-GOHWNWGWSA-N 422.641 5.960 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C)C(C)C 2356397631 PKXVFQDVNGNKNY-BYYYDICFSA-N 424.669 7.188 0 1 HKAF C[C@@H](C=C[C@@H](C)[C@H]1CC[C@@H]2C(=CC=C3C[C@@H](O)CC[C@H]3C)CCC[C@]21C)C(C)(C)O 2356459213 CJYKTRYRFPHSGB-CIVIUCTISA-N 414.674 6.836 0 1 HKAF CC(C)C1=C2[C@@H]3CC[C@@H]4[C@](C)(CC[C@H]5C(C)(C)C(=O)CC[C@]45C)[C@@]3(C)CC[C@@]2(C)CC1 2356585098 CUFJQMZAPYHTHV-KZRSSFNRSA-N 424.713 8.377 0 1 HKAF CC(C)=CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CC[C@H](C)CC(=O)O)[C@](C)(O)CC[C@@H]21 2356641704 ZQCLFYPJCVYMSK-NVXRYHDNSA-N 422.606 5.361 0 1 HKAF C1=CCCCCN2C[C@@]34CCC=CCCCCCCN(C[C@@H]5CC(=CC1)[C@H]2C[C@H]53)C4 2356694060 UOGKYFKQLXZXCD-HFLBTKGNSA-N 408.674 6.356 0 1 HKAF CC(C)=CCCC(C)=CCC[C@@](C)(O)[C@@H]1Cc2c(O)c(C(=O)O)c(C)c(Cl)c2O1 2356719913 LGWHIUKSRDCMLJ-GAJHUEQPSA-N 422.949 5.580 0 1 HKAF Cc1nnc2n1N=C(c1ccccc1)/C(=C/c1ccc(-c3ccc(Cl)cc3)o1)S2 1658630 KYHVFGRFVXAXDT-MOSHPQCFSA-N 418.909 5.899 0 1 HKAF CCCC[C@H](C(=O)Nc1ccccc1)C(=O)N(Nc1ccccc1)c1ccccc1 5821990 DSDSFJHAONXGON-HSZRJFAPSA-N 401.510 5.492 0 1 HKAF biogenic C[C@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C)N(C)C 6443224 ZUILVKYUNYJWMV-USOIBTBLSA-N 412.706 6.392 0 1 HKAF O=c1c(-c2ccccc2C(F)(F)F)cccn1[C@H](CN1CCCC1)c1ccccc1 13436627 RCQYYHSZIQSZQA-JOCHJYFZSA-N 412.455 5.219 0 1 HKAF CC(C)=CCc1c2c(c(O)c3c1O[C@@H](c1c(O)cccc1O)CC3=O)C=CC(C)(C)O2 14618620 WHHZACYYTYNGSW-LJQANCHMSA-N 422.477 5.203 0 1 HKAF biogenic CC1(C)CCC(C)(C)c2cc(N3CCCN(c4ccc(C(=O)O)cc4)C3=O)ccc21 28363735 HFMYUDLQZXUDHK-UHFFFAOYSA-N 406.526 5.571 0 1 HKAF O=C(O)/C=C/c1ccc(-c2ccc(O)c(CC3CCCCCCCCCCC3)c2)cc1 28464971 NNWLJHNRTSAZNI-XMHGGMMESA-N 420.593 7.620 0 1 HKAF CN1CCC[C@@H]1CCNc1nc(Nc2ccc(C(F)(F)F)cc2)c2ccccc2n1 29203662 GMKUVQHPTNZMJJ-QGZVFWFLSA-N 415.463 5.288 0 1 HKAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O[C@@H](O)C(Cl)(Cl)Cl 31541376 JVLHMVXGPLKLFV-NYLIBXOJSA-N 419.776 5.322 0 1 HKAF in-man O=C(O)[C@H]1CCCN(CCO[C@@H](c2ccc(Cl)c(Cl)c2)C2CCCCC2)C1 38153737 ZYYYOOSODGRELM-FXAWDEMLSA-N 414.373 5.428 0 1 HKAF c1ccc(CCN2CCN(CCCCn3c4ccccc4c4ccccc43)CC2)cc1 40860060 JFSZZWUBNLZWNL-UHFFFAOYSA-N 411.593 5.435 0 1 HKAF CC[C@H](C)CNC(=O)c1ccnc(-c2ccc(CNCCCc3ccccc3)cc2)c1 45194451 HWKUGANVWBQZHD-NRFANRHFSA-N 415.581 5.247 0 1 HKAF CCN(c1ccc(C(C)C)c(OCCc2ccccc2)c1)c1ccc(C(=O)O)cn1 66112572 UGFGGMRMQKAECJ-UHFFFAOYSA-N 404.510 5.683 0 1 HKAF Clc1ccc2c(Nc3ccc4c(c3)OCN(Cc3ccccc3)C4)ccnc2c1 95575162 FRUNODKJKYKYFM-UHFFFAOYSA-N 401.897 5.984 0 1 HKAF Fc1ccc2[nH]cc([C@H]3CC[C@H](CCN4CCN(c5ccccn5)CC4)CC3)c2c1 100031886 IFACRBHSWWBVIG-BGYRXZFFSA-N 406.549 5.188 0 1 HKAF Cc1ccsc1-c1cccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c1 101172200 MDLMKZZNKLHUHC-UHFFFAOYSA-N 403.503 5.334 0 1 HKAF CCCCNc1ncc(C(=O)N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 105173145 ZRHVKZXRQGYKEA-UDDWMFPDSA-N 420.601 5.465 0 1 HKAF CC[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(OC4CCCC4)cc3)oc2c1 139496442 IUYMWMDCDFLZMY-HNNXBMFYSA-N 403.482 5.066 0 1 HKAF COC(=O)[C@@]1(c2ccccc2)C[C@H]1CN1[C@@H]2C=C(c3ccc(Cl)cc3)C[C@@H]1CC2 169348354 ZVHCIKGTRQHMOV-ALJFMCDRSA-N 407.941 5.091 0 1 HKAF CN1CCC(c2cc3c(-c4cc(NCc5ccncc5)ccc4F)ccnc3[nH]2)CC1 226074498 JZTUSDTUSMMHGC-UHFFFAOYSA-N 415.516 5.185 0 1 HKAF Cc1cccc(-c2c(Cc3ccc(/C=C/C(=O)O)cc3)c3ccc(O)cc3oc2=O)c1 299851836 KLBZFFBZZNRWHN-FMIVXFBMSA-N 412.441 5.163 0 1 HKAF FC(F)(F)Oc1cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1Br 586883297 AMBHLMLUMFGCPB-KZULUSFZSA-N 423.232 5.596 0 1 HKAF Cc1ccc(-n2ccnc2SCc2nc3cccc(OC(F)(F)F)c3[nH]2)c(C)c1 586966122 GKJOALXQHDXDAV-UHFFFAOYSA-N 418.444 5.556 0 1 HKAF CC(C)CCOc1ccc(Br)cc1-c1nc2cc3ccccc3cc2[nH]1 586982430 XFQVBDZMYDFYGR-UHFFFAOYSA-N 409.327 6.571 0 1 HKAF Cc1ccc(-c2nc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c(C)s2)cc1 587013355 LYWZEQCFQZPVKT-UHFFFAOYSA-N 419.735 5.781 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)c(F)c(F)c3[nH]2)C[C@H]2CCCC[C@H]21 587027843 STRSGOMZEZMJLR-WQVCFCJDSA-N 419.472 5.117 0 1 HKAF Cc1cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2cc1Br 587064137 BTOXRLVZTCYGSQ-UHFFFAOYSA-N 417.690 6.126 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]41)-c1ccccc1C2=O 587099066 ZKRQGAWSJKGGLY-ZWKOTPCHSA-N 412.489 5.186 0 1 HKAF COc1c(F)ccc(F)c1-c1nc2c(Br)ccc(Br)c2[nH]1 587133264 RAKZBIQZVTYLMN-UHFFFAOYSA-N 418.035 5.042 0 1 HKAF Fc1cc(Br)ccc1-c1nc2cc(Br)cc(Cl)c2[nH]1 587142885 PGVYVMXSRWXUST-UHFFFAOYSA-N 404.464 5.547 0 1 HKAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc4ncccc4c3[nH]2)c1 587147744 YYLUGBOKIPFRJL-UHFFFAOYSA-N 413.408 5.291 0 1 HKAF CCCCOc1cc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2cc1Br 587173970 LENCTJQMSUTGTQ-GOSISDBHSA-N 405.267 5.320 0 1 HKAF COC(=O)c1cc2nc(-c3coc4cc(F)ccc34)[nH]c2c(F)c1Nc1ccccc1 587174783 MELAEVJIXQTCDY-UHFFFAOYSA-N 419.387 5.785 0 1 HKAF Cc1cc2c([nH]1)CC(C)(C)C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348352 RHASFFIADRZCDY-RDGATRHJSA-N 405.469 5.395 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(Cl)cc2CC3)c1 587360045 KIGZCFDLTSPELH-UHFFFAOYSA-N 411.888 7.076 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccccc2[C@@H]3CC(=O)O)c1 587365307 FUKUZLUJMRIFAO-FQEVSTJZSA-N 421.452 6.244 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccccc2[C@@H]3C(C)C)c1 587366798 MWFZYPDAHUNAMP-QHCPKHFHSA-N 405.497 7.425 0 1 HKAF CCc1c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)oc2ccccc12 587367643 XKXBYIPWMIWRDV-UHFFFAOYSA-N 419.480 7.632 0 1 HKAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc(C)cc1 587399017 HYEBPNMVAIOGSM-HSZRJFAPSA-N 403.478 5.180 0 1 HKAF CCOc1ccc(-c2nc3sccn3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587414943 PTHHGRAEUDYEOT-LJQANCHMSA-N 419.506 5.059 0 1 HKAF COc1ccc(Br)c2c1[C@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587498569 OOKBSHSAIJLKDW-QFIPXVFZSA-N 413.311 5.143 0 1 HKAF C[C@@]1(c2c[nH]c3c(Br)cccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587500903 YUIGTGSYWWRNAG-QFIPXVFZSA-N 410.311 5.690 0 1 HKAF Cc1[nH]c2ccccc2c(=O)c1CC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587524616 JQQKHZCRBYPGNZ-SANMLTNESA-N 401.506 5.072 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(O)cc1Cl 587547792 UPCLCOBMGZHIAZ-XLIONFOSSA-N 403.217 5.108 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(O)cc1Cl 587547794 UPCLCOBMGZHIAZ-YLJYHZDGSA-N 403.217 5.108 0 1 HKAF CCCCn1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl 587551132 DPSXNKUHVZKDKI-GHTZIAJQSA-N 412.873 5.054 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc2ccc(Cl)cc12 587616381 CTMMJVSOGZCIGU-KNQAVFIVSA-N 408.862 5.963 0 1 HKAF O=C(COc1cccc2ccccc12)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661261 VRZLEGFPIQAKPM-UHFFFAOYSA-N 424.431 5.075 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncc(Cl)cc2Cl)N1 587692080 ATJJBPRBXNVCCA-ZKANADHPSA-N 404.110 5.088 0 1 HKAF CC[C@H](OC)c1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587794555 OXEYCCBIHWHTOM-FPSMJMQUSA-N 406.339 5.483 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccccc2)(c2ccccc2)N1 587816088 UAVAFMUDEYSJRR-IEZVKARESA-N 422.341 6.079 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2SC(C)(C)C)N1 587841073 PGKKXTKOTQAVSV-ZSEKCTLFSA-N 422.407 6.277 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1[C@@H](COc1cc(F)cc(F)c1)N=O 587944275 DHKPBPHXDKBXRZ-YGBSJELFSA-N 422.472 5.656 0 1 HKAF Cc1ccc(-c2ccnc(C(=O)Nc3ccc(Oc4cc[nH]c5nccc4-5)cc3)n2)cc1 653720618 YCLXBZYQDQAKNF-UHFFFAOYSA-N 421.460 5.325 0 1 HKAF CC[C@@H](C)[C@@]1(c2ccccc2OC)NC2(CC2)Cc2ccc(Br)cc21 961613762 HSSVPMQPBMXMMG-QRQCRPRQSA-N 400.360 5.426 0 1 HKAF Cc1ccc([C@@]2(Cc3ccc(Cl)cc3)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963020319 FNOQSJVGBBZLQE-NIYFSFCBSA-N 416.952 5.188 0 1 HKAF CCOc1ccc(OCCc2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 1857596984 ZJGDEXLMXMOKPA-UHFFFAOYSA-N 416.565 5.029 0 1 HKAF CCOP(=O)(OCC)[C@@H](Nc1ccccc1)c1cc2cc(C)ccc2nc1O 1857771988 ZPXRRFYNUIPMSX-OAQYLSRUSA-N 400.415 5.626 0 1 HKAF O=S(=O)(Nc1ccc(Oc2ccc3ccccc3c2)c(Cl)c1)c1ccccc1 1911577283 VADIGVAXDUGLGJ-UHFFFAOYSA-N 409.894 6.086 0 1 HKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CC(=O)NCC[S@@](C)=O 2356554471 XQVRPWAJMCYTNW-HCUOBIAZSA-N 401.701 5.946 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C(=O)[C@H](C)[C@](C)(CC[C@H](C)CC(=O)O)[C@@H]2CCC=C(C)[C@]12C 2356677739 XCQRBNYBYVJECB-LIYBBLBYSA-N 418.574 5.343 0 1 HKAF CCOC(=O)c1cccn1[C@@H]1C(=O)N(Cc2ccc(C(C)C)cc2)c2c(F)cccc21 206032860 MIYISKRSFBSJCR-QHCPKHFHSA-N 420.484 5.064 0 3 HKAF Oc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc(OCCN2CCCC2)cc1 3815477 NIXHNVIELGEFIP-UHFFFAOYSA-N 411.545 5.772 0 1 HKAF COC(=O)[C@H](C)CCc1cn([C@H]2c3[nH]c4ccccc4c3CC[C@@H]2C)c2ccccc12 14593480 DVYOBJXLEMOJSO-CUAXAMRHSA-N 414.549 6.036 0 1 HKAF biogenic CCCC[C@@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)O)cc3C)c2c1 26498631 UVGDLUJZHZVXMK-GOSISDBHSA-N 406.526 5.851 0 1 HKAF CC1(C)CCC(C)(C)c2cc(S(=O)(=O)c3ccc4cc(C(=O)O)ccc4c3)ccc21 26726337 NZLDNVFAPCGICF-UHFFFAOYSA-N 422.546 5.720 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@](C)(C[C@H](O)C3=CC(=O)O[C@H]3O)CCC[C@]12C 26971968 JSDANYFQRXTLHP-AZRWKZBESA-N 406.607 5.224 0 1 HKAF COc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3cccs3)C2)cc1 28062355 KBCWSCLHEIXDFZ-OAQYLSRUSA-N 417.559 6.236 0 1 HKAF O=C(NCc1nc(-c2ccccc2)c[nH]1)Nc1ncc(Sc2ccccc2)s1 28864095 JLECXGJGBGFQLF-UHFFFAOYSA-N 407.524 5.006 0 1 HKAF Clc1ccc(C[C@H](Cn2ccnc2)c2c(Cl)cccc2Cl)c(Cl)c1 33493871 HNQTYVIQBAVFBS-CYBMUJFWSA-N 400.136 6.523 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C)C=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 36189519 FAGYSQSLIMHWHR-CMODHYQLSA-N 413.690 7.300 0 1 HKAF CCOc1ccc(Cc2nc3cc(N(C)C(=O)CC(C)C)ccc3n2CC2CC2)cc1 40392858 SZQFSERSAVXUGU-UHFFFAOYSA-N 419.569 5.445 0 1 HKAF Cc1ccc(O[C@H](CCN2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1 49109789 HSSKUHYKFYVFRR-AREMUKBSSA-N 420.984 5.981 0 1 HKAF COc1cc(-c2onc3c2CCCN3[C@@H](C)c2ccccc2)ccc1-n1cnc(C)c1 66104506 USMKZQPFIJAGMP-SFHVURJKSA-N 414.509 5.358 0 1 HKAF CC(C)(C)CC(C)(C)n1nnnc1CNCCCn1c2ccccc2c2ccccc21 73196174 JXEJZRYFWHXZIW-UHFFFAOYSA-N 418.589 5.132 0 1 HKAF CCOC(=O)C(C)(C)C1=C/C(=C\c2ccc(-c3ccccc3)cc2)c2ccc(F)cc21 84710014 RSCOKJCYDZTQDI-CJLVFECKSA-N 412.504 7.020 0 1 HKAF NC(=S)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@@H]1c1cccc2ccccc12 95583167 DURYAAKIQVDWGP-LJQANCHMSA-N 400.334 5.541 0 1 HKAF COc1ccc(-c2scc3c2CC(=O)OC32CCN(Cc3ccccc3)CC2)cc1 95604423 XVKYOZWJWPOIRY-UHFFFAOYSA-N 419.546 5.014 0 1 HKAF O=C(CCc1coc2cccc(OCC3CCCCC3)c2c1=O)c1ccc(F)cc1 96258441 LUHOITIMITZTIS-UHFFFAOYSA-N 408.469 5.707 0 1 HKAF COc1ccccc1-c1cccc(Nc2c(Nc3ccc(Cl)cc3)c(=O)c2=O)c1 101889791 XITJCYGZDHNZLE-UHFFFAOYSA-N 404.853 5.099 0 1 HKAF Cc1ccccc1N[C@@H](c1ccco1)P(=O)(Oc1ccccc1)Oc1ccccc1 103198387 XFIURNVWKOIZMG-XMMPIXPASA-N 419.417 7.050 0 1 HKAF CC[C@@H](Nc1ccc(C)c(CN2CC(C(=O)O)C2)c1)c1cc(C)c(Cl)c(C)c1 118400927 UIWDKTWFCKATJC-OAQYLSRUSA-N 400.950 5.345 0 1 HKAF N#CCc1ccc(-n2cnc3cnc4cc(Cl)c(-c5ccsc5)cc4c32)cc1 136813567 OGTCPSIXXHWEKE-UHFFFAOYSA-N 400.894 6.022 0 1 HKAF CC[C@H](C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137544032 KBCUEZZDVQYXRC-SSEVAGLDSA-N 414.718 8.025 0 1 HKAF Oc1c(Br)cc(/C=C/c2cc(Cl)cc(Cl)c2)cc1Br 139370202 XKVWRRNVCOSPGE-OWOJBTEDSA-N 422.931 6.394 0 1 HKAF Cc1ccc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)cn1 139779183 HLTASHKCDHQZNF-UHFFFAOYSA-N 406.445 5.352 0 1 HKAF COc1cccc(F)c1[C@H]1C[C@H](C)C(=O)N1Cc1csc(-c2ccc(C)cc2)n1 166820275 MOXOWSSMOJNDCO-HNAYVOBHSA-N 410.514 5.376 0 1 HKAF CC[C@@H](C)NC[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 169335655 XWIOBZKKWWYXIG-IQMFZBJNSA-N 415.364 6.144 0 1 HKAF Cc1cc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)ccc1C(=O)Nc1cccc2cccnc12 169721999 RUFVJNVMIATQOS-CALCHBBNSA-N 423.472 5.138 0 1 HKAF CC[C@H](NC(=O)c1ccc2c(ccn2C(=O)c2cccc(F)c2F)c1)c1ccccc1 205999593 WHFGIDAZBKTDRV-NRFANRHFSA-N 418.443 5.489 0 1 HKAF CC(C)c1ccc(Oc2ccc(NC(=O)C[C@@H](CC(=O)O)c3ccccc3)cc2)cc1 217071496 GVPVRFWYZLQQFM-NRFANRHFSA-N 417.505 6.189 0 1 HKAF CC(C)N(C[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C(C)C 231207168 SEFZQCNXQNFPKL-HNNXBMFYSA-N 408.386 5.425 0 1 HKAF CN[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@@H](C)N(C)C)[C@@H](O)C[C@]4(C)[C@H]3CC[C@H]2C1(C)C 257469526 KYQBSELITRKZKQ-NJCRPJHBSA-N 418.710 5.180 0 1 HKAF COc1cc([C@@H]2OC[C@H]3[C@H]2CO[C@H]3c2ccc3c(c2)OCO3)ccc1O/C=C\C(C)C 257498514 NXUQPWMHPDPMCA-KYMAIEAOSA-N 424.493 5.048 0 1 HKAF endogenous,in-man CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 299872668 YIKKMWSQVKJCOP-RZIQBQDOSA-N 400.647 6.568 0 1 HKAF NC(=O)C[C@@H](CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1 473144804 DNNIFVGHPNQZGR-KRWDZBQOSA-N 408.885 5.120 0 1 HKAF Cc1ncc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c(C)c1Br 586979496 NUYJHOYKUMZEBO-UHFFFAOYSA-N 406.283 5.235 0 1 HKAF N[C@@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586984717 UDQMAJDOMDWFEW-LBPRGKRZSA-N 418.644 5.240 0 1 HKAF CC(C)(C)c1cccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc12 587001434 ZQLDZJDCHXHOEG-UHFFFAOYSA-N 413.271 5.102 0 1 HKAF O=C(O)c1cc(F)cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 587041533 XCOMLDGJPYIZMY-UHFFFAOYSA-N 405.454 5.246 0 1 HKAF Clc1cc(Cl)cc(-c2cncc(-c3nc4cncc(Br)c4[nH]3)c2)c1 587067494 CXFGTAGDWKRNCL-UHFFFAOYSA-N 420.097 5.756 0 1 HKAF Fc1cc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2cc1Cl 587117788 WOYTZZZKGLAWNU-UHFFFAOYSA-N 407.198 5.344 0 1 HKAF FC(F)COc1cccc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)n1 587123402 JBGKBJRBBFVDAX-UHFFFAOYSA-N 422.151 5.050 0 1 HKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(Sc4ccccc4)ccc3[nH]2)cc1 587159001 USCOXNSJSPUDMU-UHFFFAOYSA-N 424.500 7.000 0 1 HKAF CCOC(=O)c1ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 587159388 OHWFMQLTFKCDGA-NRFANRHFSA-N 424.859 5.701 0 1 HKAF COc1ccc2c(c1)C(C)(C)C[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349796 JGNHVZSHALBADK-ZEQKJWHPSA-N 418.464 5.476 0 1 HKAF COc1cccc(-c2c([C@@H](C)C(=O)OC(C)(C)C)cnc3c2oc2ccccc23)c1 587362818 LACFXSOVMUMXSR-OAHLLOKOSA-N 403.478 6.102 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](NC(=O)OC(C)(C)C)C3)c1 587364008 YKLBPAIRCVIQOY-GOSISDBHSA-N 416.477 5.779 0 1 HKAF COc1cccc(-c2cc(Cc3ncccc3C(=O)O)nc3c2oc2ccccc23)c1 587364250 RQWPXTATYHZPMS-UHFFFAOYSA-N 410.429 5.341 0 1 HKAF COc1cccc(-c2cc(-c3cc4sccc4s3)nc3c2oc2ccccc23)c1 587367526 XVYXNYFXOHZSGY-UHFFFAOYSA-N 413.523 7.600 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)c(OCc3ccccc3C)c(C)c1)O2 587401940 ZWJRKFLWQGNIJU-XMMPIXPASA-N 401.506 5.788 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1cc(Cl)cs1)[C@@H](C2)C3=O 587428067 LXHVJPPIAYONAH-KKSFZXQISA-N 400.858 5.240 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-c3ccccc3Cl)c1)CC2=O 587463426 WWJUVUWPXNWQQJ-VWLOTQADSA-N 406.909 6.546 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCCc3ccccc3)c1)CC2=O 587486269 ZCHMEDRKPRICLL-VWLOTQADSA-N 402.490 5.673 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cccc(C(=O)O)c3)s1)CC2=O 587496617 YQLBOOFZFPUNHD-LJQANCHMSA-N 408.475 5.478 0 1 HKAF Cn1cc(C(=O)c2cccc(Cl)c2)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587497283 AADLQBKIOFDRII-HSZRJFAPSA-N 419.908 5.495 0 1 HKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(Cl)cccc12 587502342 VFENSZDDRVFCKY-AREMUKBSSA-N 414.888 5.672 0 1 HKAF O=C1C[C@H](c2ccc(OC(F)F)c(OC(F)F)c2)Oc2c1ccc1c2CCCC1 587506172 MUHFENZGPPQPNZ-QGZVFWFLSA-N 410.363 5.475 0 1 HKAF Cc1c(Br)cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542059 WKGDVPKTLNURTA-GHTZIAJQSA-N 411.251 5.166 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(F)cc2)cc1 587567411 AGCIROFEDSYWFH-BVAGGSTKSA-N 412.416 5.901 0 1 HKAF O=Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 587602336 JIESEOOFWIYLDT-IGKIAQTJSA-N 422.436 5.575 0 1 HKAF O=C(c1cc(Cl)ccc1Cl)c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587628235 JRHAHEOLGSEGTJ-UHFFFAOYSA-N 410.581 6.517 0 1 HKAF COc1ccc(OC)c(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)(F)F)c1 587628757 OYOOYRJLXNBAPW-UHFFFAOYSA-N 401.743 5.390 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)C3CCCC3)cc2)N1 587817639 DCQRBSNQXHWLAN-YEJXKQKISA-N 416.334 5.585 0 1 HKAF Cc1ccc([C@]2(C3CCCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587819157 LNGJNFUHHBVMDW-NYHFZMIOSA-N 402.351 5.865 0 1 HKAF COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2nc3ccccc3s2)cc1 653731183 AIADZKAHWNNTHS-OAQYLSRUSA-N 413.502 5.296 0 1 HKAF COc1cc2c(cc1OC)[C@](c1cccc(C)n1)(c1c(C)cccc1C)N(C)[C@@H](C)C2 962630636 NPWXXYLQUCVZGS-DCFHFQCYSA-N 416.565 5.192 0 1 HKAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@]2(c1cccc(C(F)(F)F)c1)C1CC1 962698744 JLTDJISIJZQCMN-GCJKJVERSA-N 421.503 5.862 0 1 HKAF COC[C@]1(c2ccc(C(F)(F)F)cc2)c2ccsc2CCN1Cc1ccco1 962711700 UOMGYBZEQPBMGG-FQEVSTJZSA-N 407.457 5.308 0 1 HKAF Fc1ccc([C@]2(C[C@H]3CCCO3)c3ccsc3CCN2Cc2cccnc2)cc1 963000821 XJFDCQDREKTZPC-ZJSXRUAMSA-N 408.542 5.153 0 1 HKAF CC(C)(C[C@@]1(c2ccc3ccccc3c2)c2ccc(F)cc2C[C@@H]2CCCN21)C(=O)O 963113012 YIMJYRSYYXOBME-WNCULLNHSA-N 417.524 5.744 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 963244963 YSFIEFOPHCNXFX-VWMNBSOPSA-N 413.649 6.998 0 1 HKAF COc1cc(OC)c(OC)cc1/C=C/COC(=O)/C=C/c1ccccc1C(F)(F)F 1857544701 UFWYUJQMMJYHCO-UMYLGFLZSA-N 422.399 5.001 0 1 HKAF COc1cccc(C(=O)Nc2ccc(Oc3ccc(O)cc3)c(Br)c2)c1 1857746244 BXJBRICJNPZAHP-UHFFFAOYSA-N 414.255 5.208 0 1 HKAF CC1=CC[C@](Oc2ccc3c(c2)[nH]c2c4c(c(C)cc23)OC(C)(C)C=C4)(C(C)C)CC1 1857774513 BODDYKIMWPFIST-MUUNZHRXSA-N 415.577 7.718 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@@]12C 2356430138 HPKNCAAZGBOERA-QVKOCQLISA-N 410.730 9.985 0 1 HKAF CC(=CCO)CCC1=C(C)[C@H](O)[C@H](OC(=O)CC(C)C)[C@H]2C(C)(C)CCC[C@]12C 2356471095 KLRYQYMRBCEOHD-KELBGUDLSA-N 406.607 5.187 0 1 HKAF CC[C@H](O)CCCCCCCCCCCCCCc1cc(O)cc(O)c1C(=O)O 2356551272 XSVWJFIIEKPTCR-FQEVSTJZSA-N 408.579 6.181 0 1 HKAF CC[C@@H](C(=O)NCc1ccccc1)n1c(Cc2cc(F)cc(F)c2)nc2ccccc21 95571144 BSWTYHKSDQZABJ-QFIPXVFZSA-N 419.475 5.173 0 3 HKAF CC(C)NC(=O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F 775306 LNJJPZUPTABACY-UHFFFAOYSA-N 421.241 5.188 0 1 HKAF O=C(C1CCCC1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 3921843 LZUVGLVLXJBEKD-RRPNLBNLSA-N 416.609 5.298 0 1 HKAF Cc1cc(C)c(NC(=O)c2ccc3nc(NC(=O)c4ccccc4)sc3c2)c(C)c1 13533893 LVJIZZHYTAICAJ-UHFFFAOYSA-N 415.518 5.726 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)n2ccnc2)C(C)(C)CC[C@H]1n1ccnc1 13586650 YATHTDAMJIBVQL-XWNQPJLRSA-N 416.569 6.103 0 1 HKAF CC1(C)CCc2cc(-c3coc4cc(O)c5c(c4c3=O)OC(C)(C)CC5)ccc2O1 15148357 AAVIPCXEXKHNTR-UHFFFAOYSA-N 406.478 5.373 0 1 HKAF biogenic,in-vitro COc1ccc([C@@H]2[C@@H](CCCCc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 27193181 CBKVUMMWDHIQKE-CLJLJLNGSA-N 415.533 5.821 0 1 HKAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(=O)cc(-c3cccs3)oc2c1 40974804 FXJGLLMTMNAACI-UHFFFAOYSA-N 401.487 5.389 0 1 HKAF Fc1ccc(COc2c3cnc4c(c3nn2-c2ccc(Cl)cc2)CCCC4)cc1 66076658 YNGRKYAIISTAOT-UHFFFAOYSA-N 407.876 5.671 0 1 HKAF C[n+]1cccc(N(CCCCCC2CCCCC2)c2ccc(C(F)(F)F)cc2)c1 66166940 MBIFCKFFGGPHMO-UHFFFAOYSA-N 405.528 6.809 0 1 HKAF C[C@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)c(-c2ccc(OC(F)(F)F)cc2)c1 72105286 DTDDOMGQKGSJSR-GUYCJALGSA-N 406.400 5.352 0 1 HKAF COc1cc(C(=O)N2c3ccccc3Oc3ccc(Cl)cc32)cc(OC)c1OC 72107172 PMGPJTSCESAXEA-UHFFFAOYSA-N 411.841 5.450 0 1 HKAF O=C1O[C@](CCO)(c2ccccc2)CCN1c1cccc(-c2ccc(F)cc2F)c1 72116723 BRCSKQYCZLOWED-XMMPIXPASA-N 409.432 5.256 0 1 HKAF Cc1ccc([C@H]2C[C@@H]3CC[C@@H]([C@H]2c2cc(Cc4ccc(Cl)cc4)no2)N3C)cc1 101166405 IFMIAYDNKIHTBR-AANQFLQQSA-N 406.957 5.961 0 1 HKAF CC1=NN=C(N)N/C1=C/[C@@H](Sc1ccc(Cl)cc1)c1c(O)ccc2ccccc12 102986474 PSDAYKPTEPNXQE-VOMPUTFMSA-N 422.941 5.210 0 1 HKAF CCc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(OC)cc2OC)s1 206854861 LNXGKSUVMQAIHZ-JOCHJYFZSA-N 408.523 5.094 0 1 HKAF CC1=C(C(=O)OC(C)C)[C@H](c2cccc(F)c2)c2c(nc3c(c2N)CC(C)(C)CC3)N1 218324084 UYAZZCUMASYCFB-FQEVSTJZSA-N 423.532 5.101 0 1 HKAF O=C(O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(-c3ccccc3)n2)CC1 299829433 UVMHVBWGXWQOLU-XUTJKUGGSA-N 416.525 5.059 0 1 HKAF Cn1ncc(-c2ccncc2)c1-c1ccc(OCc2ccc3cc(F)ccc3n2)cc1 473153306 ACOOVXAIHUBKJQ-UHFFFAOYSA-N 410.452 5.415 0 1 HKAF CC(=O)c1ccc(-c2cccc(-c3nc4cc(C)c(Br)cc4[nH]3)c2)cc1 586879129 DXZBTBTTXPCUFF-UHFFFAOYSA-N 405.295 6.170 0 1 HKAF O=Cc1ccc(OCc2occc2-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 586900369 HGWDGFUHYVVGJN-UHFFFAOYSA-N 420.774 5.887 0 1 HKAF Cc1ccc(-n2cnnc2SCc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1Cl 586967883 HJYHTYNIEFIEGE-UHFFFAOYSA-N 424.744 5.705 0 1 HKAF Clc1cnc2[nH]c(COc3ccc4ccccc4c3Br)nc2c1Cl 587001589 ODCLTSRUAMBRON-UHFFFAOYSA-N 423.097 5.759 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(Cl)c(C)c3[nH]1)N2 587030543 FLKBJUWSLGWGEL-NGPAHMQLSA-N 418.975 5.652 0 1 HKAF Fc1cc(Br)cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587051549 TZVLRWGQVBLWDR-IUCAKERBSA-N 400.078 6.042 0 1 HKAF COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3ccc(C)cc3[nH]2)cc1OC 587058458 VZCCEAJZPVYMST-UHFFFAOYSA-N 421.884 5.461 0 1 HKAF Cc1cc(Cl)cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 587067965 DCQHWUXYTATHHV-UHFFFAOYSA-N 409.276 6.291 0 1 HKAF OCCc1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587069603 FPLVUOJRJRLKPD-XFFZJAGNSA-N 404.897 5.501 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc3ccccc3cc2[nH]1 587072263 PWDUCHNCGMVCOX-VUJSYBTKSA-N 407.344 7.389 0 1 HKAF Fc1cnc(Br)c2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c12 587076615 KXIBPZCFGXYTOI-UHFFFAOYSA-N 403.642 5.242 0 1 HKAF Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cnncc3[nH]2)cc1 587077915 ZJPHALKGEPUPDT-PTNGSMBKSA-N 409.880 5.708 0 1 HKAF Cc1ccc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c1C 587086446 KMTXWXSRFHWUBA-LUAWRHEFSA-N 411.336 6.210 0 1 HKAF Cc1c(-c2ccccc2Br)nc2cccc3c2c1-c1ccccc1C3=O 587101325 FTMBWSFVKQOIOP-UHFFFAOYSA-N 400.275 6.184 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(-c4ccc(F)cc4)s3)nc3cccc1c23 587103083 DMJYTQDOOOLUFO-UHFFFAOYSA-N 407.469 6.981 0 1 HKAF Cc1cccc(Cl)c1NC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104758 XESHTHGZPVZWIN-UHFFFAOYSA-N 412.876 5.589 0 1 HKAF Fc1cccc(C2(F)CC(c3nc4cccc(I)c4[nH]3)C2)c1 587131605 PRKWMWYAXCAGGI-UHFFFAOYSA-N 410.205 5.049 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Br)ncc3[nH]2)cc1F 587151645 SJEAZHUSBPSLBW-GOSISDBHSA-N 416.225 5.167 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 587168259 HGVKUULJFYIBDO-UHFFFAOYSA-N 423.451 5.058 0 1 HKAF CCc1ccccc1NC(=O)c1nc2c(C(F)(F)F)c(Br)ccc2[nH]1 587240218 AWTBTUOAILDQEH-UHFFFAOYSA-N 412.209 5.159 0 1 HKAF COc1cccc(-c2cc([C@@H]3C[C@@H]3c3ccccc3C)nc3c2oc2ccccc23)c1 587364464 ANICXLASCLSQQD-DNQXCXABSA-N 405.497 7.236 0 1 HKAF CCOc1ccc([C@]2(Cc3ccc(Cl)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587378051 MDCZMMCZVVCWEV-VWLOTQADSA-N 421.924 5.733 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1O[C@H]1C[C@H]3CC[C@@]1(C)C3(C)C)O2 587403585 OXPJWKWZPFGDCK-FEFOLRMPSA-N 405.538 5.877 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccc(Br)c1)[C@@H](C2)C3=O 587417498 LHTQXPQSHDIRNE-CVDCTZTESA-N 421.290 5.149 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4cccc(Cl)c4)c1)[C@@H](C2)C3=O 587419339 LAGRSEAMQWWQRV-RDPSFJRHSA-N 406.865 5.416 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4ccc(OCc5ccccc5)cc14)[C@@H](C2)C3=O 587438080 LYNBDDMOKWFXDH-RXFWQSSRSA-N 411.457 5.244 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1OCCC(C)C)CC2=O 587460895 HMAQWALZGNSYAT-JOCHJYFZSA-N 402.918 6.130 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2Oc2ccc(C(=O)O)cc21 587481225 ASUDEDIBFYKEBL-VWLOTQADSA-N 416.429 5.058 0 1 HKAF O=C1C[C@]2(CCCOc3cc(Br)ccc32)Oc2c1ccc1c2CCCC1 587499311 SGUGAYWOEASTIQ-QFIPXVFZSA-N 413.311 5.361 0 1 HKAF COc1ccc(-c2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1OC 587535033 HOHAIRYEONSBAP-OAQYLSRUSA-N 421.518 5.413 0 1 HKAF COc1ccc([C@@]2(C(C)(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 587570429 WVVKWGZSAFLJDP-SQJMNOBHSA-N 422.452 5.443 0 1 HKAF Cc1ccc([C@@]2(C3CCCCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587603035 MNVPZQBSZLVFIJ-RPLLCQBOSA-N 414.501 6.138 0 1 HKAF CC(C)(C)OC(=O)Nc1c(-c2ccc(Br)cc2)[nH]c2cc(F)ccc12 587632047 BRUUMYBSCVHDEC-UHFFFAOYSA-N 405.267 6.084 0 1 HKAF CCOC(=O)c1c(-c2cc(Br)ccc2F)[nH]c2ccc([C@@H](C)CC)cc12 587642710 PMCRQQLTRYPGTH-LBPRGKRZSA-N 418.306 6.427 0 1 HKAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Br)cc3)c(C(F)(F)F)c2c1 587650355 STPHVDXVSVPRKY-UHFFFAOYSA-N 418.234 5.020 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc3ccc(Cl)cc23)N1 587692146 AADAUJCVJYQTGQ-DGIBIBHMSA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(C)(C)C)(c2ccc(Cl)cc2)N1 587694930 AVSGTJUPNIKFBM-ASSNKEHSSA-N 424.785 6.456 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc(Cl)ccc3n2C)N1 587699600 QYHWFNFLNFKDRF-GIGQVBGESA-N 407.714 5.357 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(Br)c2)N1 587714904 GLFDYABCJBVKAN-PWJLMRLQSA-N 417.091 5.113 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c1 587782182 HKFTYOXPQVYGLL-UHFFFAOYSA-N 420.468 5.746 0 1 HKAF CCCCOc1c(OC)cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587794595 OWEIYFKUTLPZMX-ZUOKHONESA-N 422.338 5.399 0 1 HKAF COC(=O)CCCCCCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587812404 YYQIVBQXPTXOJE-KUHUBIRLSA-N 414.359 5.457 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3ccccc3)n2)N1 587854355 TUBQZVPRXCIZMM-BBATYDOGSA-N 403.320 5.335 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cscc2Br)N1 587856253 XBJHWXDFKWQIOQ-UOWDBTKRSA-N 405.130 5.036 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2c(C)ccc(C)c2s1 587869649 OUPDKBRCYIEYAW-UHFFFAOYSA-N 404.417 5.188 0 1 HKAF COc1cccc(C(=O)c2ccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)cc2)c1 587932148 OKTAWIZBTUCCBW-UHFFFAOYSA-N 400.331 5.026 0 1 HKAF CCCCc1ccc([C@]2(CCC(=O)O)N[C@H](CC)Cc3c2[nH]c2ccccc32)cc1 962950525 RQPHIOGUCANHON-IBVKSMDESA-N 404.554 5.543 0 1 HKAF FC(F)(F)c1cccc2c1[C@@H](c1c(Cl)cccc1Cl)NCC21CCOCC1 962961530 VIVMEKWYXPNQNK-SFHVURJKSA-N 416.270 5.753 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccc(-c2ccc(C)cc2Br)o1 963229203 NKLSAYDINMSWMI-BXKMTCNYSA-N 424.382 6.764 0 1 HKAF CC[C@H](NC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@@H]12)C(=O)OC 1772580107 AKNOEXAREHEGQT-IRZMIGAXSA-N 401.591 5.189 0 1 HKAF O=C(O)CCc1ccc(OCc2ccccc2SC(F)(F)F)c2ccccc12 1772641881 FBTWCNCWYIECDF-UHFFFAOYSA-N 406.425 6.048 0 1 HKAF CCCCCc1cccc(OC2CN(c3nc4ccc([C@@H](C)NC(C)=O)cc4o3)C2)c1 1772653898 HIDSUWDCKXDXGS-QGZVFWFLSA-N 421.541 5.025 0 1 HKAF FC(F)(F)C[C@H](c1cccs1)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12 1857587988 NRURPLQDLUXFAA-MRXNPFEDSA-N 405.872 7.634 0 1 HKAF O=C(Nc1ccc(Br)cc1)c1nc2cc(C(F)(F)F)ccc2s1 1857630519 QUHOXUQTJBEVJC-UHFFFAOYSA-N 401.207 5.330 0 1 HKAF CCCCC[C@@H]1C[C@@H]2[C@H](NC)CC[C@@]34C[C@@]2(C1)[C@H]3[C@@H](O)C[C@@]1(C)CCC[C@@]4(O)C1 2356367850 JEJWGRWLISTUJH-AXRXFJPZSA-N 403.651 5.043 0 1 HKAF CCOC(=O)CC(=O)OCC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CCc1ccoc1 2356454158 BBVMQJIDBJNEFS-KWACHACRSA-N 416.558 5.488 0 1 HKAF Oc1ccc(C=Cc2cc(O)c3c(c2)O[C@@H](c2ccc(O)cc2)[C@H]3c2ccccc2)cc1 2356515567 SJLDVTZZJYMCTL-XCZPVHLTSA-N 422.480 6.239 0 1 HKAF C[C@]1(Oc2ccccc2-c2ccno2)CCN(Cc2ccc(-c3ccccc3)o2)C1 61926730 HSAGNVRDYXKSAS-VWLOTQADSA-N 400.478 5.645 0 3 HKAF Cn1c(-c2cccc(F)c2)cc2cnc(Nc3cccc(OC(F)(F)F)c3)cc21 206016320 DJQTWMMOUDUYPR-UHFFFAOYSA-N 401.363 6.022 0 3 HKAF CC(C)c1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)NC2CCCC2)cc1 2481067 ODADVFXVAQKCMV-UHFFFAOYSA-N 408.929 6.458 0 1 HKAF CC(C)=CCc1c2c(cc3c1OC[C@H](c1ccc(O)cc1O)C3=O)C=CC(C)(C)O2 13376924 IONFEFOVMAIGGC-HXUWFJFHSA-N 406.478 5.150 0 1 HKAF biogenic O=C(Nc1ccccc1)c1cccnc1[S@](=O)C(c1ccccc1)c1ccccc1 13605229 QAUJYVDSNUIEQX-PMERELPUSA-N 412.514 5.231 0 1 HKAF O=c1cc(NC2CCN(Cc3ccc4cc[nH]c4c3)CC2)c2cc(Cl)ccc2o1 13673209 UHHIJJVXGANMKZ-UHFFFAOYSA-N 407.901 5.004 0 1 HKAF CCCCCCN(CCCCCC)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 13833117 XCQPSLZWMGPTBR-UHFFFAOYSA-N 422.632 7.979 0 1 HKAF O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1scnc1CCc1ccncc1 14946561 OOSJKYVNWICOCS-UHFFFAOYSA-N 411.836 5.248 0 1 HKAF Clc1ccc([C@]2(Cn3ccnc3)OC[C@@H](CCc3ccccc3)O2)c(Cl)c1 28769325 JCAZSATUZWCXLC-WIYYLYMNSA-N 403.309 5.091 0 1 HKAF COc1ccccc1C(=O)Cn1c(CC(F)(F)F)nc2cc(Cl)c(Cl)cc21 28817743 JYLIWTDGOVTHMR-UHFFFAOYSA-N 417.214 5.339 0 1 HKAF Clc1ccc(CSc2ncnc3c2cnn3Cc2ccc(Cl)cc2)cc1 28894685 VYNCYXAQHNQTHH-UHFFFAOYSA-N 401.322 5.474 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2cccc(CO)c2)C(C)(C)CCC1 28896122 YXCIEXRZAKXWKJ-LWSKPVKVSA-N 405.582 6.649 0 1 HKAF CC[C@@H]1[C@@H](C)[C@H](N(C)c2ccccc2)c2ccccc2N1C(=O)c1ccc(OC)cc1 40848214 XHTKSRRFPAXFNI-OXTYCOSGSA-N 414.549 5.948 0 1 HKAF O=C(CCCCCCc1ccccc1)c1nc(-c2cccc(Br)n2)no1 40895665 BNYJEPWYENNTME-UHFFFAOYSA-N 414.303 5.270 0 1 HKAF O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1Cc1ccc(Cl)c(Cl)c1 45298872 ROYHYYNQKVIOOR-UHFFFAOYSA-N 407.300 6.231 0 1 HKAF CC(C)=CCN1C(=O)[C@]2(CC(C)=CC[C@@H](COc3ccccc3)O2)c2ccccc21 66128817 HEHNCNNGJHGQJK-NVQXNPDNSA-N 403.522 5.399 0 1 HKAF Fc1cc(Cl)ccc1[C@@H](NC1CCN(c2ccccc2F)CC1)c1cccnc1 72186137 XPCQSTGXXDPGAO-QHCPKHFHSA-N 413.899 5.361 0 1 HKAF Cc1cccc(-c2nc(NC3CCCCC3)ncc2C(=O)NCC2CCCCC2)c1 82145124 FKMNFKZQKGYJEA-UHFFFAOYSA-N 406.574 5.507 0 1 HKAF CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(Cl)cc2)cs1 82193204 AVRQLPGPJNXAJL-UZLBHIALSA-N 420.022 5.765 0 1 HKAF O=C(Nc1ccc(F)cc1)N1CCc2ccoc2[C@@H]1c1ccc(C(F)(F)F)cc1 84756853 QUZCUXJBYBYYSG-SFHVURJKSA-N 404.363 5.617 0 1 HKAF O=c1cc(/C=C/c2ccccc2)oc2cc(I)c(Cl)cc12 103198216 AOFIVPLPKKEWHF-VOTSOKGWSA-N 408.622 5.221 0 1 HKAF Cc1cc(N)c2cc(NC(=O)c3ccc(-c4ccc5ncccc5c4)cc3)ccc2n1 103237098 MTGACTLWRZXJNY-UHFFFAOYSA-N 404.473 5.593 0 1 HKAF Cc1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4Cl)CC(O)=C32)o1 103921026 IZKHWUYCBHWLFI-OWJWWREXSA-N 404.897 6.870 0 1 HKAF c1cc2c(C3CCNCC3)c[nH]c2cc1Nc1ccc2[nH]cc(C3CCNCC3)c2c1 144959715 SZYRVOWDSLCVPK-UHFFFAOYSA-N 413.569 5.327 0 1 HKAF c1ccc([C@H]2CCc3cc(Oc4ncc(CN5C6CCC5CC6)s4)ccc3O2)cc1 145613285 SQQIPCBHTQZYCO-YABDQXBESA-N 418.562 6.129 0 1 HKAF CCC[P@@](=O)(Cc1cccc(Nc2cc(-c3ccccc3CC)ncn2)c1)OCC 169346869 VIDNWGHMNFOVGU-PMERELPUSA-N 423.497 6.674 0 1 HKAF O=C(c1cnccc1Oc1ccc2ccccc2c1)N1CCN(C2CC2)c2ccccc21 169349686 QFEORMHUMOYISV-UHFFFAOYSA-N 421.500 5.656 0 1 HKAF O=C(O)[C@H]1CC[C@H](CNc2nc(-c3ccccc3)cc(-c3ccccc3F)n2)CC1 299819994 CZLGPFXOLMYOFX-SAABIXHNSA-N 405.473 5.253 0 1 HKAF O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CC[C@H](Oc2ccc(Cl)cc2)CC1 299845943 NXXYQYRBHPJBKQ-RZDIXWSQSA-N 412.839 5.871 0 1 HKAF COc1ccc2ccc(=O)oc2c1C1=NN(c2ccccc2)[C@@H](c2ccc(C)cc2)C1 299867854 QPCDCQAEXVFMEX-JOCHJYFZSA-N 410.473 5.466 0 1 HKAF Cc1cc(-c2nc3c(C)cc(Br)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586879187 LNMWGVCYYVOISS-UHFFFAOYSA-N 421.294 5.974 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3ccoc3C3CC3)[nH]c12 586902239 WOFPXTRZDSEHDW-UHFFFAOYSA-N 411.383 5.971 0 1 HKAF CCCn1cnc2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc(Br)c21 587004482 UTFRQFAJWJVUKQ-UHFFFAOYSA-N 424.129 6.059 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4nc(C(F)(F)F)ncc4[nH]3)cc2)n1 587020251 KDUHAHYSLQCHCI-UHFFFAOYSA-N 407.446 5.096 0 1 HKAF COc1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cc1OC 587040749 PLOHECUHMUJPRI-UHFFFAOYSA-N 403.507 5.426 0 1 HKAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587042382 IYDBNCVBCLUHKV-ZDUSSCGKSA-N 415.799 5.030 0 1 HKAF Cc1ccc(C)c2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc12 587064212 OYMUAUMUDLGGAT-UHFFFAOYSA-N 415.924 6.534 0 1 HKAF O=C(O)c1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1F 587069566 KEASDBAIXOIOJR-SFQUDFHCSA-N 420.871 6.227 0 1 HKAF CC(C)Oc1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587111699 RDNPYUNIYFIGMR-UHFFFAOYSA-N 416.365 6.173 0 1 HKAF Cc1cc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2cc1Br 587158993 UPJPVKJZKOOIJO-UHFFFAOYSA-N 409.258 5.919 0 1 HKAF CC(=O)N[C@H](Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)c1ccc(C)cc1 587216873 PAVAHVRQCNWGAI-JOCHJYFZSA-N 401.535 5.442 0 1 HKAF CC(C)(C)OC(=O)N[C@H](c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C1CCCC1 587224767 HERYQTIWDXBLNY-HNNXBMFYSA-N 401.404 5.477 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCOc3c(Cl)cccc32)[C@H]1c1ccc(F)cc1 587328311 JFCXXBWNOSIRCS-URXFXBBRSA-N 424.855 5.612 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccccn2)(C2CCCC2)[C@H]1c1ccc(F)cc1 587342136 ZAOVEDSWHHFLEB-ZCYQVOJMSA-N 403.453 5.371 0 1 HKAF Cc1nn(C(C)C)c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343397 SJIAURFXOSVGRU-ISKFKSNPSA-N 408.473 5.200 0 1 HKAF CCC[C@@H](C)CN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587343844 KVYXQMFEQIUMJG-HXOBKFHXSA-N 411.517 5.161 0 1 HKAF COc1cc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC 587345921 ADYOEWCJMIVDCA-UKILVPOCSA-N 422.452 5.131 0 1 HKAF COc1ccc2c(c1)C(C)(C)C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349791 JGNHVZSHALBADK-OZXSUGGESA-N 418.464 5.476 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3ccccc3)c(C(F)(F)F)s1)O2 587380804 AUYXUFWBMMWHKM-KRWDZBQOSA-N 403.425 6.031 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCSc1ccccc1)(c1ccc(F)cc1)O2 587385600 UIJAZBPGXQAUIB-DEOSSOPVSA-N 407.510 5.759 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C3CCCC3)[nH]c3ccc(C(C)(C)C)cc13)O2 587395965 HLOVPSIJYCKROQ-HSZRJFAPSA-N 416.565 6.720 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3cnc(Cl)s3)c3ccccc13)O2 587412539 IRSGAYGWVSCMJR-HXUWFJFHSA-N 423.925 5.397 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(C)c(C)c4)[nH]c4ccccc14)[C@@H](C2)C3=O 587438313 NHBPMSFKSQVQTP-CCLHPLFOSA-N 409.485 5.949 0 1 HKAF C[C@]1(c2ccc3ncc(Br)cc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587499620 SRCCHUUJKHRMCV-HSZRJFAPSA-N 422.322 5.757 0 1 HKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(c1ccccc1)=COc1cc(O)ccc12 587529921 COOXMHURYRINCM-HHHXNRCGSA-N 410.469 5.565 0 1 HKAF O=C1C[C@@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)Oc2c1ccc1c2CCCC1 587532948 RFTORHBDYWUFFV-DEOSSOPVSA-N 418.514 5.105 0 1 HKAF Cc1cc2c(c(C)c1Cl)[C@@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545086 GOXIKNDZBSXJEK-HYBUGGRVSA-N 422.864 5.302 0 1 HKAF Cc1ccc(-c2cnc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1C 587585738 HHPYKXYLXDYXCP-ZJSXRUAMSA-N 413.429 5.367 0 1 HKAF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)Oc1c(Cl)cc(Cl)cc1Cl 587628389 NQWGXHUUQYLBSI-UHFFFAOYSA-N 407.055 6.448 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C)c(Oc3ccc4cc(Br)ccc4c3)c2c1 587638296 FMQIJJZRUQQACT-AWEZNQCLSA-N 408.339 7.698 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3Cl)c(-c3ccc(F)cc3)c2c1 587640889 GCDONBWYTDVPEL-CQSZACIVSA-N 412.335 8.461 0 1 HKAF CC[C@]1(c2ccccc2C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587710022 DWVPKPNWIXSNOQ-BBATYDOGSA-N 416.256 5.795 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)cc2C(F)(F)F)N1 587711567 LABZFBXJKFEDFK-XYZCENFISA-N 418.228 5.110 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)c(F)c2)N1 587714131 VAKXXUGSGQABCG-XLFHBGCDSA-N 420.219 5.544 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCC(F)(F)F)N1 587715880 XXLDZYXSLBCAAF-QGHHPUGFSA-N 418.228 5.153 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2F)N1 587729038 UPIBZRQRXUHXAW-JLCFBVMHSA-N 414.293 5.553 0 1 HKAF Cc1cccc(C)c1-n1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587756193 RIQIUVSKXRQTQW-VFNWGFHPSA-N 413.334 5.619 0 1 HKAF CCCOc1cc2nc(-c3cc(OCC)ccc3OCC)[nH]c2cc1Br 587778763 SVMVDJTYRDLVON-UHFFFAOYSA-N 419.319 5.579 0 1 HKAF CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCC)c1 587800046 FDULOAHCIGUTHF-FKIZINRSSA-N 408.311 5.009 0 1 HKAF CCCC[C@]1(c2ccc3c(c2)OCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 587835857 QYDZMTOEBACXHW-YEJXKQKISA-N 420.322 5.285 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/[C@@H]2C(C)(C)CC[C@@H]3O[C@@]32C)N1 587838797 PKAIHBMQSVWXHX-SKJCBQHCSA-N 422.382 5.488 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccsc3)c2)N1 587853294 MJBBRYVJKRHVSS-FKIZINRSSA-N 402.332 5.940 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3sccc3nc2Cl)N1 587857745 MVMRCJZHYNECFS-BCTVWOGZSA-N 411.727 5.475 0 1 HKAF O=C(COc1ccc(Br)cc1Cl)n1nc2cc1Oc1ccc(F)cc1-2 587873147 VGQRYNZTHSMJCX-UHFFFAOYSA-N 423.625 4.930 0 1 HKAF COc1cc(C2(c3nc4cc(OC(C)C)c(Br)cc4[nH]3)CC2)ccc1C 587925043 JCOHNGRORHHNRR-UHFFFAOYSA-N 415.331 5.510 0 1 HKAF COc1cccc([C@@H](C)Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1 587931144 MGKBWVTWTDGDAF-AWEZNQCLSA-N 417.347 5.715 0 1 HKAF C(=C\c1ccccc1Oc1ccccc1)\c1nc2ccc(Oc3ccccc3)cc2[nH]1 587950071 OWWQTQCKSQZOFK-SDXDJHTJSA-N 404.469 7.318 0 1 HKAF Fc1cc(Br)cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587951120 WPZHXOMJQLKNEO-KHPPLWFESA-N 409.258 6.427 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(C)C1CCSCC1 961781388 XLWHIHBNJJINQD-HSZRJFAPSA-N 402.604 5.196 0 1 HKAF CCOC(=O)[C@@H](CC)[C@]1(c2cccc(C(F)(F)F)c2)NCCc2ccc(F)c(C)c21 962304004 YVAFOXACLLBSGH-GCJKJVERSA-N 423.450 5.132 0 1 HKAF COc1ccc2[nH]c3c(c2c1)CC[C@@]1(C3)c2ccsc2CCN1Cc1cccn1C 962398374 NEIAGPBXUDNKJT-RUZDIDTESA-N 417.578 5.019 0 1 HKAF Cc1cccc(CC[C@@]2(c3cccc(C)c3C)c3ccsc3CCN2C(N)=O)c1 962705422 NQKGVTDJESBGLT-RUZDIDTESA-N 404.579 5.487 0 1 HKAF CSc1ccccc1[C@@]1(c2ccccc2Cl)NCCc2c1sc(C)c2C 963021527 JPKSYFAWNXGEQU-JOCHJYFZSA-N 400.012 6.178 0 1 HKAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](C2=C(Sc3ccccc3)CCCC2)N1 963228700 IHQMRCYYWNZDOP-UPVQGACJSA-N 416.546 5.495 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@H]2c1cccc(OCc2ccc(Cl)cc2)c1 963260490 XFQBJSNFUCSYLS-QHCPKHFHSA-N 414.332 5.816 0 1 HKAF COc1ccc(Nc2ncnc3c2[C@H](c2cccc(Cl)c2)c2c(n[nH]c2C)O3)cc1 1772609127 NBWYNKDCDSJBCJ-GOSISDBHSA-N 419.872 5.200 0 1 HKAF Cc1cccnc1NC(=O)C1(c2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)CC1 1857744830 LBWKGSOHCUEJPC-UHFFFAOYSA-N 412.415 5.218 0 1 HKAF CC(C)CC=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356399013 KEMRDWDNECVERP-PCDUZEELSA-N 400.647 6.136 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C[C@](C)(C(=O)O)[C@@H]2CC=C(C)[C@@H](CCc3ccoc3)[C@@]2(C)C1 2356500610 XTFVHRXNAYKKTD-RJVOUVGLSA-N 414.542 5.564 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCCC1=C(C)CC[C@]2(C)CCC(C)(C)C[C@H]12 2356555240 NHVDFWJNPPZOPG-PQHLKRTFSA-N 410.730 10.129 0 1 HKAF CC(C)c1cccc(C(C)C)c1OC(=O)[C@H]1OC(C(C)(C)C)=C[C@@H]1c1ccccc1 36387672 MPMBMYPPMFHYLV-RDGATRHJSA-N 406.566 6.951 0 3 HKAF CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2115677 KYOFIJXMVNQYFC-ZHNDOOKWSA-N 412.702 8.233 0 1 HKAF biogenic CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCCC 4213767 WXTHNSQYEFGFAK-RPBOFIJWSA-N 406.570 6.284 0 1 HKAF C[C@H]1CSC2=C1c1c(O)cc([C@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C 13455741 CDHDXFFFAFVYKB-CVEARBPZSA-N 412.570 6.923 0 1 HKAF CC(C)(CC(=O)O)Cc1nc2ccccc2n1Cc1ccc(Br)cc1F 13826797 ONYQSHGSGFZFJF-UHFFFAOYSA-N 419.294 5.030 0 1 HKAF CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccccn2)C2=C(O)CC(C)(C)CC2=N1 27547547 JWDHDWOIXIFRGQ-QFIPXVFZSA-N 405.473 5.304 0 1 HKAF CCN(CC)CCCCCCCCCCCCNc1ccnc2cc(OC)ccc12 27553398 AHCRNPWLDITYFI-UHFFFAOYSA-N 413.650 6.898 0 1 HKAF CCn1c(-c2ccccc2)c(CC(=O)N(Cc2ccncc2)C(C)C)c2ccccc21 27980554 CRMSUCZMVYPRIO-UHFFFAOYSA-N 411.549 5.703 0 1 HKAF Cc1cc[n+](CCCCCc2ccccc2CCCCC[n+]2ccc(C)cc2)cc1 28861767 LVMMHOZURJGANH-UHFFFAOYSA-N 402.626 5.704 0 1 HKAF CCc1ccc(-c2nc(CCOc3ccc4c(c3)CC[C@H]4CC(=O)O)c(C)n2C)cc1 28952003 XVSDTSJRZSISOE-NRFANRHFSA-N 418.537 5.084 0 1 HKAF Cc1ccnc(Oc2nc(C)c(N[C@@H]3c4ccccc4C[C@@H]3OC(C)C)nc2C)c1 28956435 DKFKFEAWFWGNOM-RBBKRZOGSA-N 404.514 5.092 0 1 HKAF CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)OCc2ccccc2)c2ccccc21 35943428 SGMQSXYNZSKAJM-CLOONOSVSA-N 414.505 5.716 0 1 HKAF O=C(O)c1cccc(-c2cccnc2-c2cc(Cl)ccc2OCc2ccccc2)c1 40564702 SSYCMOLSQBHHLF-UHFFFAOYSA-N 415.876 6.346 0 1 HKAF C[P@](=O)(O)[C@@H](C(=O)N/C=C/c1ccccc1)c1csc2ccc(Cl)cc12 40584662 DGWSMOPHIGQBQQ-QZEKMECESA-N 405.843 5.283 0 1 HKAF CC(C)c1ccccc1-c1cc2cccc(NC(=O)Nc3ccc(N(C)C)cc3)c2o1 53313254 HBJXASDMBWSGGU-UHFFFAOYSA-N 413.521 6.933 0 1 HKAF O=C(NC(=O)c1c(Cl)cccc1Cl)OCc1ccc(-c2ccccc2F)o1 103212461 RTRGIBOZDWUMJR-UHFFFAOYSA-N 408.212 5.459 0 1 HKAF CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2ccccc2Cl)C2=C(O)CCCC2=N1 104698295 XBSXABBXNKFVKM-NRFANRHFSA-N 407.901 5.490 0 1 HKAF CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2Cl)C2=C(O)CCCC2=N1 104700075 ANSHYQLFWDNGOR-OAQYLSRUSA-N 410.876 5.926 0 1 HKAF CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)OC)c3)cc12 117526492 QWHANOXKUZWQSC-UHFFFAOYSA-N 403.409 5.052 0 1 HKAF C[C@H]1CC[C@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)NC1 118938091 IYNBEJALSUEFDB-DVKCRANESA-N 415.662 5.065 0 1 HKAF CC(C)CCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CCC=C[C@]4(C)[C@H]3C(=O)C[C@@]21C 137591806 RZWSJYQJDMMWTQ-DLOHOKAVSA-N 414.630 5.747 0 1 HKAF Cc1cc(Nc2nccc(C)n2)cc(-c2cnc(CC3CCC(C(=O)O)CC3)s2)c1 144284417 KYYIFVGLZAJMDL-UHFFFAOYSA-N 422.554 5.394 0 1 HKAF Cc1cc(N2CC[C@@H](CN3CCC[C@H]3C)C2)ccc1NC(=O)c1ccc2[nH]ccc2c1 299845266 XABYXUIYVFWUMX-UXHICEINSA-N 416.569 5.039 0 1 HKAF CCc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccco2)s1 299879175 KINYATIIQDKZHA-KNCCTNLNSA-N 408.571 5.905 0 1 HKAF Cc1ccc(CSCCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 586969923 BHYHNABYKWRNMX-UHFFFAOYSA-N 401.404 5.396 0 1 HKAF Cc1cnc(Cl)c2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc12 587025451 GNERMSIWYGCEAV-PMPSAXMXSA-N 414.962 5.056 0 1 HKAF Nc1c(-c2nc3ccc(Br)cc3[nH]2)sc2cc(Br)ccc12 587031454 NTHOXYIMKMHDBF-UHFFFAOYSA-N 423.133 5.552 0 1 HKAF FC(F)(F)c1ccc(Oc2ccc(-c3nc4cc5ccccc5cc4[nH]3)cc2)cc1 587113230 UHPSOAIYQFODAG-UHFFFAOYSA-N 404.391 7.194 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Cl)nc(Cl)c3[nH]2)c(Cl)c1 587159658 RZURBTOJBOIPSW-QGZVFWFLSA-N 422.674 6.226 0 1 HKAF C[C@]1(CCc2c(F)cccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330254 GKOXFVYHDQHJTK-LADGPHEKSA-N 412.407 5.560 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)c1cc(Cl)ccc1n4C)[C@@H](C2)C3=O 587420014 GFYBTQQYWJZAGY-UQBPGWFLSA-N 417.892 5.656 0 1 HKAF CCCC[C@@]1(c2ccc(Br)cc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587425448 CPNOPCMJYDWVSH-IERDGZPVSA-N 419.290 5.430 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(OCc4ccccc4)ccc4ccccc14)[C@@H](C2)C3=O 587445468 ZIKDDDTWZZTQIG-DWACAAAGSA-N 422.480 5.916 0 1 HKAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1Br 587498494 HSTDOOYWRALYSG-KRWDZBQOSA-N 417.299 5.052 0 1 HKAF O=C1C[C@](c2ccccc2)(c2cc(Cl)ccc2O)Oc2c1ccc1c2CCCC1 587498812 HHJZRMYQHOTQAJ-VWLOTQADSA-N 404.893 5.833 0 1 HKAF CC[C@@]1(c2ccc(OCCCCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587524573 SCLUTJLQJCGWFD-SANMLTNESA-N 422.521 5.470 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cc(Cl)cc(Cl)c12 587551888 KVPGXGMUFWJCFY-KNQAVFIVSA-N 413.256 5.502 0 1 HKAF COC(=O)CCCCCCCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592725 JUXMPEPDOTZNDZ-DENIHFKCSA-N 412.482 5.016 0 1 HKAF CCCC[C@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606473 DCQCWQXWHCMJFD-WIOPSUGQSA-N 418.445 5.168 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(O)cc2)s1 587614470 SPVPCYQNLLIQRT-ZJSXRUAMSA-N 416.454 5.529 0 1 HKAF Cc1cc(Cl)cc2c(-c3cccc(F)c3)c(-c3ccc(Cl)c(Cl)c3)[nH]c12 587625014 YIBJBXYWOAEIOH-UHFFFAOYSA-N 404.699 7.910 0 1 HKAF Cn1c(CO)cnc1Sc1c(-c2ccc(F)cc2)[nH]c2cc(Cl)c(F)cc12 587630673 OYYCGCDOJYKSLY-UHFFFAOYSA-N 405.857 5.144 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)Br)c(C(=O)c3ccccc3)c2c1 587639722 CAYWLYHTCLVJHL-LBPRGKRZSA-N 406.270 6.357 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CSC(F)F)o2)N1 587719904 RPLPCBANERRKNV-GLEZIHRCSA-N 406.267 5.261 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ccc(F)cc3)n2)N1 587735366 PNAFVENXGKPNTN-YPMLDQLKSA-N 421.310 5.474 0 1 HKAF Cc1cc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(-n2cccn2)c1 587762349 XSCPJKAXDRCSPN-QKKBWIMNSA-N 414.322 5.014 0 1 HKAF Cc1cccc([C@]2(c3ccccn3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587773688 RGTPDZIACDZETE-IVZQSRNASA-N 411.318 5.118 0 1 HKAF Cc1ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2c1C 587784309 PQSFQBRWBKTDLL-UHFFFAOYSA-N 418.540 7.017 0 1 HKAF CCCCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587793534 NMCZSOZCWVDMRR-SPLOXXLWSA-N 406.339 5.781 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](OCc3ccccc3)C2(C)C)N1 587809542 ISRJORBERPTCFG-JPEVHGAISA-N 418.350 5.333 0 1 HKAF Cc1ccc(C[C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587814720 VBWCKNGZLRKLCS-MZNJEOGPSA-N 424.357 5.917 0 1 HKAF CC(C)[C@]1(c2cc3ccccc3o2)N[C@H](C)Cc2ccc(F)c(Br)c21 587828175 MPOQDRNMYBIRRP-LRTDBIEQSA-N 402.307 5.768 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccs3)cc2)N1 587850950 GWBULOOQCWPJAN-FKIZINRSSA-N 402.332 5.940 0 1 HKAF Cc1ccc(-c2ncc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 587852206 FBTRFIPJZRFSGI-CWTRNNRKSA-N 417.347 5.644 0 1 HKAF COc1ccc2c(c1OC)[C@](C)(c1ccc(SC3CCCC3)cc1)N(C)[C@H](C)C2 962617094 BRLXPZUDCMYDDJ-NSYGIPOTSA-N 411.611 5.878 0 1 HKAF CCOC(=O)c1ccccc1[C@]1(C2CCC2)NCCc2cccc(-c3ccccc3)c21 962660950 BZNXGFBHRFJMRU-NDEPHWFRSA-N 411.545 5.720 0 1 HKAF Clc1ccccc1C1([C@H]2NCCc3cc(-c4ccccc4)ccc32)CCOCC1 962673007 ZCYJFPNCKZYONO-VWLOTQADSA-N 403.953 5.942 0 1 HKAF Cc1ccc(CC[C@]2(c3ccc(F)c(F)c3)NCCc3c2c(C(C)C)nn3C)cc1 962912996 BFGCHEPCZBVXLE-RUZDIDTESA-N 409.524 5.152 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](Cc2ccccc2Cl)(c2cccs2)N1 962943243 GFCRKXFJFRMDTH-MZNJEOGPSA-N 406.982 6.293 0 1 HKAF CCCN1[C@@H](c2ccc(OC)c(Cn3nc(C)cc3C)c2)c2ccccc2C[C@H]1C 963224279 DQKJQUOEQOCERH-BCHFMIIMSA-N 403.570 5.303 0 1 HKAF Cc1cccc(C[C@@H]2c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)c1 963856271 WDICMGARHCXAIR-NHCUHLMSSA-N 409.526 5.224 0 1 HKAF CCN(C)C(=O)c1ccc(-c2c(C)nc3c(OCc4ccccc4C)cccn23)cc1 1857536958 YFKXASZAIAKRPQ-UHFFFAOYSA-N 413.521 5.289 0 1 HKAF CCOC(=O)c1ccc(-c2ccc(-c3cc(=O)oc4cc(OC)ccc34)s2)cc1 1857552614 WWRJABYDEHPORD-UHFFFAOYSA-N 406.459 5.374 0 1 HKAF Clc1ccc(-c2nc3sccn3c2CNCCc2cccc(Cl)c2)cc1 1857572466 AJPFISLAPQQPLF-UHFFFAOYSA-N 402.350 5.702 0 1 HKAF Cc1cccc(-c2[nH]c(CNc3cccc(F)c3)nc2-c2ccc3nsnc3c2)n1 1857579955 GFYMGKKOEOHJOB-UHFFFAOYSA-N 416.485 5.203 0 1 HKAF CC1=C[C@@H]2c3cc([C@H]4CC(=O)c5c(O)cc(O)cc5O4)c(O)cc3OC(C)(C)[C@H]2CC1 2356396553 OFLLWFQGLTWNOR-DAESXHAQSA-N 422.477 5.121 0 1 HKAF CN[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@]35CC[C@]12C 2356487197 RXSFCOUBKQSZFV-WKWIIZQQSA-N 400.695 5.964 0 1 HKAF CC1(C)C(=O)CC[C@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]([C@@]3(C)C=CC(=O)O3)CC[C@]21C 2356649357 JRGYNXKJYVLQBR-PYDHBWQCSA-N 412.614 6.112 0 1 HKAF C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(F)c(Br)c1 13661957 ZESNJJBGEWLRGV-KAKWUFLPSA-N 414.318 5.500 0 3 HKAF CCCCNc1c(-c2ccc(OC)c(SC3CCCCC3)c2)nc2ccc(C)cn12 61959488 ZMSYCNKKMXQARV-UHFFFAOYSA-N 423.626 6.955 0 3 HKAF Cc1ccc([C@H](c2nc3ccccc3[nH]2)n2c(-c3ccccc3)nc3ccccc32)cc1 72136068 QICJQKSVTAHJSP-AREMUKBSSA-N 414.512 6.526 0 3 HKAF COc1ccc(CN2CC[C@@H]3CC(=O)[C@@H](Cc4ccccc4)[C@@H]4CCC[C@H]2[C@@H]34)cc1 211059815 PEINSKLEMDWWQJ-XTPWPRAMSA-N 403.566 5.134 0 3 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 6002616 HCXVJBMSMIARIN-FQXOMJSLSA-N 412.702 7.801 0 1 HKAF O=C(O)CCCCOc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 13727296 JMDLIOKBKBDAPA-UHFFFAOYSA-N 413.473 6.309 0 1 HKAF O=C1c2cc(Nc3ccccc3)c(Nc3ccccc3)cc2C(=O)N1c1ccccc1 13735573 LRCXLVSLCVACQP-UHFFFAOYSA-N 405.457 5.974 0 1 HKAF C[C@]12CCC=C[C@H]1[C@@H](c1ccc(F)c(Br)c1)N(Cc1ccccc1)C2=O 13830609 HBDGXYCVVBCCOG-WEYGHZABSA-N 414.318 5.644 0 1 HKAF Fc1ccc(CO[C@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc1 27527314 KBLCNIZPWNZNKH-SXOMAYOGSA-N 401.525 5.637 0 1 HKAF CC[C@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4cccc(C)c4)oc3C)ccc21 28565444 ANZBIERYZKGLBF-GMAHTHKFSA-N 419.521 5.721 0 1 HKAF CNc1ccc(/C=C/c2ccc(-c3nc4cc(OCCF)ccc4s3)cc2)cc1 29128459 NHKGRIJKNRARHX-NSCUHMNNSA-N 404.510 6.524 0 1 HKAF O=C1N(CCCCCCOc2c(Cl)cccc2Cl)CCN1c1ccncc1 29395388 BEFYAVDDBXJQRF-UHFFFAOYSA-N 408.329 5.270 0 1 HKAF O=C(Nc1ccccc1)N1CCN(Cc2ccc3ccc4cccc5ccc2c3c45)CC1 35919583 ULKPJSOZTZPHHP-UHFFFAOYSA-N 419.528 5.934 0 1 HKAF O=C1NC[C@H](c2ccccc2)C12CCN(C1(c3ccc(Cl)cc3)CCCCC1)CC2 36222080 YTNXVSXBLIWWTH-HSZRJFAPSA-N 423.000 5.495 0 1 HKAF CC[C@H](NCc1ccc(-c2cncc(C(=O)NCC(C)C)c2)cc1)c1ccccc1 45210214 PHGMVJHQALGPIV-VWLOTQADSA-N 401.554 5.375 0 1 HKAF CCc1cccc(NC(=O)Nc2cc(Cl)cn(Cc3ccccc3Cl)c2=O)c1 64527239 LUBHRJTUMDADIV-UHFFFAOYSA-N 416.308 5.410 0 1 HKAF C[C@H]1[C@@H](c2ccccc2)OC(=O)N1Cc1cc(F)ccc1-c1ccc(CC(=O)O)cc1 73156283 FANBLPNVRQXKAU-FYSMJZIKSA-N 419.452 5.202 0 1 HKAF Cc1c(-c2cccc(Cc3ccc(OC(F)(F)F)cc3)c2)[nH]c2ccccc2c1=O 84668376 JPRQIYHYFMAWGW-UHFFFAOYSA-N 409.407 5.993 0 1 HKAF Cc1nccc2c3ccc(OCc4ccc(F)cc4)cc3n(Cc3ccc(F)cc3)c12 95557470 DCRLKBATTHCECA-UHFFFAOYSA-N 414.455 6.403 0 1 HKAF CN(Cc1c(-c2ccccc2)sc(N)c1C(=O)c1ccc(Cl)cc1)C(C)(C)C 96914216 NCOVGWWNZJDQNI-UHFFFAOYSA-N 412.986 6.112 0 1 HKAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1O[C@H]1C[C@@H]2CC[C@@H]1C2 100020431 AOGQPQXZFOWMDY-QFSBIZTOSA-N 407.297 5.217 0 1 HKAF CCOC(=O)c1ccc2nc(-c3cccnc3)c3c(c2c1)N(Cc1ccccc1)CCC3 103261314 GLCBTTCWFDKFDR-UHFFFAOYSA-N 423.516 5.426 0 1 HKAF COc1ccccc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OCc1ccccc1 103640212 JOUHYKUUMCSRFX-HSZRJFAPSA-N 403.478 5.247 0 1 HKAF COc1ccc(-c2c(S(=O)(=O)c3ccc(F)cc3)cnc3c(F)cccc23)cc1 115922384 OOMKFDMEBAACDU-UHFFFAOYSA-N 411.429 5.021 0 1 HKAF CN(Cc1ccccc1)Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1 140657245 STXMCDNBLPWFBQ-UHFFFAOYSA-N 422.528 5.944 0 1 HKAF Cn1nc(C(C)(C)C)c(Cl)c1-c1nc2nc(-c3ccccc3Cl)ccc2[nH]1 141432265 LLIHZNHFKDEEHO-UHFFFAOYSA-N 400.313 5.630 0 1 HKAF Cc1noc(C)c1-c1ccncc1Nc1ncc2ccc(-c3c(F)cccc3F)nn12 142924679 ZWWDOCMUCGVMJK-UHFFFAOYSA-N 418.407 5.085 0 1 HKAF CCCCSc1cc2[nH]c(C3CCCCC3)nc2cc1NC(=O)c1ccc(C)cc1 144227705 LHKLONRYPFHSBS-UHFFFAOYSA-N 421.610 7.064 0 1 HKAF Cc1nc(-c2cccc(CN3C(=O)CCC[C@@H]3c3cccc4c3OCCO4)c2)cs1 166602000 CCTLUOQMQMZQPD-OAQYLSRUSA-N 420.534 5.144 0 1 HKAF CC1=C(O)[C@@H](C/C(C)=C\CC/C(C)=C/CCc2coc(Cc3ccoc3)c2)OC1=O 199810683 DHGXHXHBAJWWPD-ISBNDZCYSA-N 410.510 6.216 0 1 HKAF Cc1nn(Cc2ccccc2)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2 200988192 YBDHLGOMHTXGJP-UHFFFAOYSA-N 413.452 5.044 0 1 HKAF C/C=C(/C)C(=O)O[C@H]1CC(C)(C)[C@H]2CC=C(C)[C@@H](CC[C@@H](C)CC(=O)O)[C@@]2(C)C1 238739272 FIDMJZXGMPOOHA-NCEGOZMSSA-N 404.591 6.164 0 1 HKAF Oc1cc(OCc2ccc3ccccc3n2)ccc1[C@]1(c2ccccc2)C[C@H]2CC[C@H]1C2 261127948 KNYWUTUCLAODJW-JHBZDSIHSA-N 421.540 6.626 0 1 HKAF CCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Oc1cc(Cl)cc(Cl)c1 473097070 BXZXIYRZBYMPEL-UHFFFAOYSA-N 404.297 5.951 0 1 HKAF CC(C)=CCC[C@@]1(C)C=Cc2c(cc3c(c2O)C(=O)C[C@@H](c2cc(O)cc(O)c2)O3)O1 473131314 OMWKLHZQLGFNOZ-CPJSRVTESA-N 422.477 5.421 0 1 HKAF CCCCOc1cc2nc(CCCCc3cccc(O)c3)[nH]c2cc1Br 586895963 FKZFAGPEIUQRAY-UHFFFAOYSA-N 417.347 5.775 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(Cl)c(C(F)(F)F)c4)nc13)-c1ccccc1C2=O 586993063 KIWNEZQHRGFIAI-UHFFFAOYSA-N 423.821 7.094 0 1 HKAF Cc1cnc(Cl)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc12 587025452 GNERMSIWYGCEAV-XHSDSOJGSA-N 414.962 5.056 0 1 HKAF Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2ccc(OCc3ccccc3)cc2[nH]1 587047992 DWARMVKQFGFETE-DLBZAZTESA-N 409.316 6.720 0 1 HKAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587053026 YYUBFYLTRCUJNY-LLVKDONJSA-N 423.744 5.202 0 1 HKAF COc1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1OC 587068952 AAOWCHSUFSLBGR-XMHGGMMESA-N 418.924 6.407 0 1 HKAF Cc1cc2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)nc2c(C)n1 587071970 RGKDYZRORAHCDT-MRXNPFEDSA-N 400.910 5.037 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@H](C)N(C(=O)OC(C)(C)C)CC4)-c1ccccc1C2=O 587098479 VKJHKCGGOYEHNK-HNNXBMFYSA-N 414.505 5.609 0 1 HKAF COc1ccc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c2c1 587121854 NRCPZRIQNIKAGW-UHFFFAOYSA-N 405.401 5.569 0 1 HKAF Cc1c(Br)ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c12 587162044 BKTGVPXTIMIDCB-UHFFFAOYSA-N 409.258 5.671 0 1 HKAF Cc1cccc(NC(=O)Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1C 587238515 BLDDCKUGVMNAQD-UHFFFAOYSA-N 412.518 5.638 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(CCCCCCCCCCCCC(C)=O)[C@@H](C2)C3=O 587441669 ICVPZXMTLABWJL-NVQXNPDNSA-N 414.586 6.472 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc(Cl)c(Cl)c1)CC2=O 587459717 CWERCZTUINYCSO-OAQYLSRUSA-N 423.292 5.075 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3cccc4ccccc34)nc1)CC2=O 587492857 XYMYMGJYPRLYFT-XMMPIXPASA-N 410.473 5.661 0 1 HKAF COc1c(Br)ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1F 587507413 PYOVJDWHVQXOMN-KRWDZBQOSA-N 405.263 5.182 0 1 HKAF COc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)CC(=O)c2ccc3c(c2O1)CCCC3 587529467 ALXQRQMVDHZTQV-NDEPHWFRSA-N 424.496 5.868 0 1 HKAF CCCCCS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587532110 MZIDKWQZJSADLW-HSZRJFAPSA-N 412.551 5.236 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cc(Cl)ncc2c1 587554360 XBUSSOBRABUFHE-REWPJTCUSA-N 403.821 5.297 0 1 HKAF Cc1cccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587579213 TWHPNMGGYCTPHE-JYFHCDHNSA-N 411.457 5.503 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(C(=O)C(=O)OC)c2c1 587639132 NVYTVYNLUMRKKC-GFCCVEGCSA-N 414.299 5.467 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(-c3ccc(N4CCOCC4)cc3)c2c1 587644348 VWCVYPHIEFLCSQ-HXUWFJFHSA-N 410.561 6.852 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(Cl)cc2Cl)N1 587691456 BLWAYEIQABJRFC-XTZNXHDOSA-N 417.149 5.887 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(F)(F)F)(c2ccc(F)cc2)N1 587708840 FFRPXBPGRMNXOK-DYZYQPBXSA-N 420.219 5.458 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCC(F)(F)F)N1 587715280 XXLDZYXSLBCAAF-BMLIUANNSA-N 418.228 5.153 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)F)c(Cl)c2)N1 587722840 ZYLRGJYYRFDUQO-BCTVWOGZSA-N 420.656 5.467 0 1 HKAF CCOc1ccccc1OCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587780690 YEJRPCNNPJPPNJ-UHFFFAOYSA-N 415.209 5.322 0 1 HKAF Fc1ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2c1 587781927 FYJWZUODUDZEJQ-UHFFFAOYSA-N 408.476 6.539 0 1 HKAF COc1ccccc1C[C@@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587804889 CYZNSHVUKFEDRC-QKKBWIMNSA-N 406.339 5.225 0 1 HKAF Cc1cccc(C2(c3cccc(C)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587814705 IJIDSNGIDUBKLH-QGZVFWFLSA-N 424.357 6.031 0 1 HKAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 587933129 KQXCSERINXTFDQ-HXUWFJFHSA-N 416.830 6.424 0 1 HKAF Clc1ccc(CCCn2c(-c3ccccc3)ccc2-c2ccccc2)cc1Cl 587943239 RJUBYTRVOHPJAX-UHFFFAOYSA-N 406.356 7.762 0 1 HKAF COC(=O)c1ccc(Oc2ccc3[nH]c(-c4ccc(OC5CCC5)cc4)nc3c2)cc1 587950462 BXBASQZDJKQOBV-UHFFFAOYSA-N 414.461 5.740 0 1 HKAF Cc1cc2c(cc1F)[C@@](C)(c1oc3ccccc3c1NC(=O)c1ccccc1)NCC2 962148206 RKLGQCRGQAUJRA-SANMLTNESA-N 414.480 5.542 0 1 HKAF COc1ccc2c(c1OC)[C@@H](c1cccc(OCc3cccc(F)c3)c1)N(C)[C@@H](C)C2 962569057 MBLANPLOOHEHNH-SSOJOUAXSA-N 421.512 5.388 0 1 HKAF CCCC[C@]1(CCCCCCC(=O)OCC)c2c(F)cccc2C[C@@H]2CCCN21 963096146 CRYJWCUPCKXOJH-OFVILXPXSA-N 403.582 6.135 0 1 HKAF CCOC(=O)CC[C@@]1(c2ccc(F)c(C)c2)NCCc2c(Cl)cc(Cl)cc21 963115399 AFQCIPXDUQXXLU-NRFANRHFSA-N 410.316 5.174 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1cccn1-c1cc(Cl)cc(Cl)c1 963115836 XPVNEBNTNUKWIW-XMSQKQJNSA-N 401.312 6.033 0 1 HKAF Cc1ccc2oc([C@H]3N[C@@H](C(=O)O)Cc4ccc(Cl)c(C(F)(F)F)c43)c(C)c2c1 963171409 BWAPENRBJXPMAY-KDOFPFPSSA-N 423.818 5.410 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCCC(=O)O)c1ccc(Cl)cc1OC 963228256 LFROWWBBACKQEP-MZNJEOGPSA-N 415.961 5.504 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccccc1OCc1cnc(Cl)s1 963235541 WYBQZRRMAJMKDB-AOMKIAJQSA-N 412.986 6.122 0 1 HKAF C[C@H](CCCC(C)(C)O)Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 1772585063 UJZFGZSJRPWHFY-QGZVFWFLSA-N 406.534 5.100 0 1 HKAF Cc1c(C(=O)O)sc2nc(CCc3ccccc3)nc(NCc3ccccc3)c12 1772634106 KWSPHFINNRCFSE-UHFFFAOYSA-N 403.507 5.095 0 1 HKAF COC(=O)c1cccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)c1 1857619174 LZAMWZYSBPTIRS-UHFFFAOYSA-N 420.292 6.137 0 1 HKAF CCOP(=O)(OCC)[C@@H](Nc1ccc(F)cc1)c1cc2cc(C)ccc2nc1O 1857775180 GIXBTPQFWPWXCA-OAQYLSRUSA-N 418.405 5.765 0 1 HKAF CCCCCC=CC[C@H](C=CC=CCC=CCCCC(=O)OC)OC(=O)CC(C)C 2356415556 OKHPUUNJBPCHEJ-XMMPIXPASA-N 418.618 6.873 0 1 HKAF CC(C)CCC[C@@H]1C(=O)OC[C@]23CC=C4[C@H](CC[C@@H]5C[C@H](O)CC[C@]45C)[C@@H]2CC[C@@H]13 2356416712 CFTJBNVECMZNQS-CDQKRYRESA-N 414.630 5.906 0 1 HKAF C[C@H](C(=O)C1=NC[C@H](C)C1)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356534120 HIBLNBRXFIYJIP-UCLUWGMXSA-N 411.630 5.612 0 1 HKAF CC(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@@]5(C)CC[C@@H](O)C[C@H]5CC[C@@]43C)[C@H]12 2356581507 YDLVXIYVBHVQSY-DWWLUTIESA-N 400.691 7.469 0 1 HKAF C[C@@H]1CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@]3(C)[C@@H]2[C@@H]1C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC4 2356735321 NUTMCXRUCDWJCU-QSXXCOIXSA-N 424.713 8.377 0 1 HKAF Cc1ccc(Cc2c(-c3ccc(C)cc3)nc3c(C)cc(Br)cn23)cc1 72136898 LMVFOCJEAAZZBI-UHFFFAOYSA-N 405.339 6.280 0 3 HKAF CC(C)c1cc2c(cc1O)[C@]1(C)CC[C@@H](OC(=O)c3ccccc3)C(C)(C)[C@@H]1CC2 13302169 HFAMSEZTLMXOQW-XFAFFCHDSA-N 406.566 6.381 0 1 HKAF biogenic COc1ccc2c3c(c(=O)oc2c1)[C@@H](C)[C@@](C)(CC/C=C(\C)Cc1cc(C)co1)O3 13460815 GKKFSJKWTPVFGM-JRLFELCZSA-N 408.494 5.927 0 1 HKAF biogenic,in-vitro CCCN(CCCc1ccccc1OC)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 13741763 HXXAWZFROYWOFG-QFIPXVFZSA-N 404.554 5.191 0 1 HKAF Cc1cc(C)cc(-c2[nH]c3ccccc3c2CCNCCCCc2ccc(O)nc2)c1 26019643 GGBBWBAOUOFWPM-UHFFFAOYSA-N 413.565 5.707 0 1 HKAF C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)c1ccc(Cl)cc1 28389846 FSHOAPBVJOOOBU-GPXOXTDOSA-N 422.931 6.144 0 1 HKAF O[C@H](COc1cccc2[nH]ccc12)CN1[C@H]2CC[C@@H]1C=C(c1ccc3ccccc3c1)C2 28395886 ZECABFDWVHQCGW-DSITVLBTSA-N 424.544 5.381 0 1 HKAF CC(C)C[C@H]1CN(c2cc(-c3ccncc3)c(-c3cccc4ccccc34)nn2)CCN1 28524537 KBVXHDANYDKVNW-QFIPXVFZSA-N 423.564 5.183 0 1 HKAF CC(C)(C)CNCc1cccc2c1Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1 28822273 BOGAXYYWCGPYOD-UHFFFAOYSA-N 423.560 6.156 0 1 HKAF O=c1c(-c2ccc(F)cc2)c(-c2ccncc2)c2ccccc2n1CCc1ccccc1 29039958 CFAIMHOCQUVLHX-UHFFFAOYSA-N 420.487 6.112 0 1 HKAF O=C1C[C@@H](c2ccccc2)c2c(ccc3cc(-c4ccc5ccccc5c4)ccc23)O1 29135261 ADNPDNUBBZDGKI-SANMLTNESA-N 400.477 7.101 0 1 HKAF Cc1ccc([C@@H](O)c2cccc([C@@H](C)CN3CCCC[C@@H]3CC3CCCCC3)c2)cc1 39643441 GJBDYIWLLXEWQA-TWRBBEJXSA-N 419.653 7.005 0 1 HKAF CCOC(=O)c1ncc2c(c1COC)-c1cc(OCc3ccccc3)ccc1[C@@H]2C 40379353 AHDBWRVBTTYGMH-INIZCTEOSA-N 403.478 5.116 0 1 HKAF C[C@H](Nc1nc([C@@H](Oc2ccccc2)c2ccccc2)nc2[nH]ncc12)c1ccccc1 45191533 PTMQLMAOXJYUMF-MBSDFSHPSA-N 421.504 5.694 0 1 HKAF COc1ccc2cc(S(=O)(=O)Nc3ccc(-c4cccc(F)c4)cc3)ccc2c1 73197556 MMORZGWANDFQPZ-UHFFFAOYSA-N 407.466 5.455 0 1 HKAF O=C(NCC1CCCCC1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 82074797 HFAIXABKYZYUGK-UHFFFAOYSA-N 420.353 5.689 0 1 HKAF Cc1ccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3cccc(C)c3)n2)cc1 82173838 MXXPJBFJCHEBOT-UHFFFAOYSA-N 422.557 6.649 0 1 HKAF CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(F)cc2F)cs1 82193568 ONUBNZDLJDLFOU-YWZLYKJASA-N 421.557 5.390 0 1 HKAF CC(C)c1ccc(NC[C@H](O)COc2ccc3c(c2)OC2(CCCCC2)CC3=O)cc1 95588977 IHBHHGQXYZRUKQ-NRFANRHFSA-N 423.553 5.330 0 1 HKAF CC1(C)CC[C@@]2(C)CC[C@@]3(C)C(=C2C1)CC(=O)[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@]13C 100779558 MQILTVJSXIHHGW-DQXCLTFCSA-N 424.713 8.521 0 1 HKAF endogenous,in-man CN1[C@@H]2CC[C@@H]1CC(O[C@H](c1ccc(F)cc1)c1cccc(Br)c1)C2 100834465 MTATUXXQZDSZDW-SFHLNBCPSA-N 404.323 5.319 0 1 HKAF O[C@H](CNc1cc(-c2ccc(C(F)(F)F)c(Cl)c2)ncn1)c1cccc(F)c1 103261218 HVNPAPLTAKSZEE-QGZVFWFLSA-N 411.786 5.100 0 1 HKAF CC1(C)C=C([C@@]23C=C[C@H](C2)[C@@H]2C(=C4CC(C)(C)NC(C)(C)C4)C=C[C@@H]23)CC(C)(C)N1 138759441 YPNNEKSEHNACRE-DRSMIGRPSA-N 406.658 6.079 0 1 HKAF CC(C)CC[C@@H](C)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 169621268 DISDDEOWDPJFQP-VJSFXXLFSA-N 414.718 8.025 0 1 HKAF CCOC(=O)c1ccc(NC2CCCCC2)c(NCc2ccc(C(=O)OC)cc2)c1 205348640 PHRPMKLNDCDGSW-UHFFFAOYSA-N 410.514 5.007 0 1 HKAF CC(C)=CCC/C(C)=C\Cc1c(O)cc(O)c2c1O[C@H](c1cc(O)cc(O)c1)CC2=O 211033853 CUAHQWHCZQIDAM-HGNLGIJWSA-N 424.493 5.451 0 1 HKAF C=C(c1ccccc1)c1cccc([C@@H](C)CN2CCCC[C@H]2CC2CCCCC2)c1 253633250 GXQMYOOCLURGTN-IADCTJSHSA-N 401.638 7.677 0 1 HKAF CC(C)=CCC/C(C)=C/C=C\C1=C[C@@]2(C)C[C@@]1(C)[C@H](/C=C(\C)CCC=C(C)C)CC2=O 299813955 XWYRFBXKAWNVEG-QUHRODDLSA-N 420.681 8.860 0 1 HKAF CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(C)cc2)CC1 299837696 PEHVIDOBHKJWSJ-UHFFFAOYSA-N 410.602 6.540 0 1 HKAF COc1ccc2ncn(S(=O)(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2c1 299856397 BTIXGFAIEYLZGV-UHFFFAOYSA-N 414.571 5.652 0 1 HKAF Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3c(C)cccc32)cc1 299859993 ISZNHVLTPIWFCQ-UHFFFAOYSA-N 416.546 5.698 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(Br)c(F)cc3[nH]2)c1 586878172 DHNPJXVVCBUPHS-UHFFFAOYSA-N 423.285 5.979 0 1 HKAF FC(F)(F)c1nc(Cl)[nH]c2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc1-2 587047986 DNQNRFNZXBPTIT-PHDIDXHHSA-N 407.610 5.555 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 587070165 GNHVSGSUTSSPAU-HSAJPSKWSA-N 419.283 6.073 0 1 HKAF COc1ccc(-n2cc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cn2)cc1 587096659 JHCSCAWMDGOQTM-UHFFFAOYSA-N 417.468 5.616 0 1 HKAF Fc1cc(Br)c2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc2c1 587126343 YCZZFLCMPDFEIS-UTCJRWHESA-N 417.225 6.247 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc2c1 587129224 UFTJSMYENCBNNK-UHFFFAOYSA-N 420.282 6.362 0 1 HKAF Clc1cnc2[nH]c(/C=C\c3cccc(I)c3)nc2c1Cl 587183931 LQODWZXLHAMZDO-PLNGDYQASA-N 416.049 5.040 0 1 HKAF COc1cc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2cc1Cl 587190685 JETRYAUPBFQLOC-SFHVURJKSA-N 401.894 5.181 0 1 HKAF CC(C)c1c(C2C(=O)CC(C)(C)CC2=O)nc2cccc3c2c1-c1ccccc1C3=O 587207585 NTEGIUGKWSAEAU-UHFFFAOYSA-N 411.501 5.611 0 1 HKAF C[C@]1(C2CCC(C(F)(F)F)CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326566 CIHGSGADOPEGML-CIVBFJOCSA-N 422.418 6.018 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CC=C(c3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 587356205 ZHYKCRSZZHUHEE-RSXGOPAZSA-N 400.449 5.897 0 1 HKAF C[C@@H]1CSc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587376910 YUOUZKFODQOOIY-QQFWFLOESA-N 406.478 5.528 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccc(Br)c(C)c1)O2 587378163 SDWWUBJGWOKMSR-HXUWFJFHSA-N 411.299 5.145 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(Br)cc(F)c(F)c1F)CC2=O 587467334 SPVIBGMULBZZCD-CQSZACIVSA-N 415.205 5.231 0 1 HKAF CCCC[C@@H](CC)COc1ccc([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587481376 LSJLVHRZDMWMRY-XHCCPWGMSA-N 424.581 6.821 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCc1ccc(C)cc1)CC2=O 587483183 VTPMKYMZUQUCSC-RUZDIDTESA-N 402.490 5.939 0 1 HKAF CCC[C@@H]1C(=O)N2CCCc3cccc(c32)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587521064 ACUGZDZSPBTVDX-AJTFRIOCSA-N 415.533 5.135 0 1 HKAF O=C1C[C@](c2cccs2)([C@@H]2O[C@H]2c2ccccc2)Oc2c1ccc1c2CCCC1 587529796 BXOFAINBMBQWOQ-CAOCKLPOSA-N 402.515 5.628 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc(Cl)c1O 587549021 YPLXKBGJLUQIGO-OXQOHEQNSA-N 403.217 5.108 0 1 HKAF CCCOc1ccc(CC)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597726 RRBWXQIKQPEQTM-WIOPSUGQSA-N 404.462 5.446 0 1 HKAF Cc1c(-c2cc(F)cc(C(F)(F)F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587622313 JKWUETMWAWWONY-UHFFFAOYSA-N 412.184 5.940 0 1 HKAF Cc1ccc(C)c(Sc2c(Cc3ccccc3F)[nH]c3c(C)cc(Cl)cc23)c1 587624021 BKDHBPFZLQCRTA-UHFFFAOYSA-N 409.957 7.628 0 1 HKAF Cc1cccc(C(=O)c2c(-c3cc(Cl)ccc3O)[nH]c3c(C)cc(Cl)cc23)c1 587624098 FMJSFQPXRWIUKZ-UHFFFAOYSA-N 410.300 6.695 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c([C@H]3CCCC[C@H]3C(=O)O)c2c1 587643191 ZOFUKSWEKXBPOM-RYGJVYDSSA-N 409.957 7.360 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3cccc(Cl)c3)no2)N1 587698778 JHSOUWFMVDWZPB-GIGQVBGESA-N 421.697 5.520 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC2CC2)(c2ccc(Cl)cc2)N1 587699393 KPBVBKXJRVCUPH-YUNKPMOVSA-N 408.742 5.820 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(OC(F)(F)F)c2)N1 587718523 IKHJFNSTQNVITE-VPTHRUTESA-N 422.191 5.250 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(c3ccc(O)cc3)CC2)N1 587831309 GVYSCZWPXBWSGY-PCODGMICSA-N 404.323 5.381 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccc(O)cc3)c2)N1 587831477 HPYWEYCVYQXQHA-DMZKTXOQSA-N 412.302 5.584 0 1 HKAF CC[C@]1(C)C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2O1 587835927 XTTRAABTAILNTR-OBVPDXSSSA-N 404.323 5.317 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCCC3)s2)N1 587848674 PIDYTUGIJUTWLP-BLVKFPJESA-N 409.368 5.264 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1C[C@@H]1c1ccc(C)cc1 587857842 AJNHOXPBOBOOLG-IAGOWNOFSA-N 415.320 6.008 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(C)cc(C(F)(F)F)n1 587863992 ARXGWDDRBMSMKB-UHFFFAOYSA-N 416.325 5.074 0 1 HKAF Cc1nccc2[nH]c(CCCCCCCCCCCCCCCCCC(C)C)nc12 587956733 ABWINKBSWAOEBX-UHFFFAOYSA-N 413.694 8.706 0 1 HKAF CC/C=C\C=C\C=C\C=C/CCCCCCCC(=O)NCCNC(=O)c1cccnc1 653739190 WKCPXIXTLDXOMT-ZSCYQOFPSA-N 423.601 5.293 0 1 HKAF CN1N=C2c3ccccc3O[C@H](c3ccccc3)[C@@H]2[C@@H]1c1ccc(Br)cc1 653900976 ZWMJACAHTSXEKX-ACIOBRDBSA-N 419.322 5.590 0 1 HKAF CC(C)(C)c1ccc(-c2c(O)ccc3c2CC[C@@H]2[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]23)cc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c1c(-c2ccc(OC)c(OC)c2)ncn1CCc1ccccc1OC 95565784 BYNUKSMEUCSYNP-UHFFFAOYSA-N 408.542 5.551 0 3 HKAF CC(C)(C)c1ccc(CNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccoc2)cc1 773592 HXQXOYLNLQZCSM-UHFFFAOYSA-N 418.468 5.968 0 1 HKAF CC(C)=CCC[C@@]1(C)C=Cc2cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c(O)cc2O1 5158782 FZAZNGMSARSUNC-DHLKQENFSA-N 422.477 5.421 0 1 HKAF endogenous,in-man O=C(O)C1=CCCN(CCOC=C(c2ccccc2Cl)c2ccccc2Cl)C1 13800121 HIJUQTCCINDZAZ-UHFFFAOYSA-N 418.320 5.116 0 1 HKAF O[C@@H](COc1ccccc1)CN1CCC(c2ccc(Oc3ccccc3)cc2)CC1 13836164 FXLWBYZTEVJBSX-HSZRJFAPSA-N 403.522 5.098 0 1 HKAF CC(C)=CCc1cc([C@@H]2CC(=O)c3ccc(O)c(CC=C(C)C)c3O2)c(O)cc1O 14780745 LCPLIOQWSCIPTN-DEOSSOPVSA-N 408.494 5.527 0 1 HKAF CC(C)(O)/C=C/c1c2c(c3oc(-c4ccccc4)cc(=O)c3c1O)C=CC(C)(C)O2 15219484 BXQGCKPPJCXQCL-ZRDIBKRKSA-N 404.462 5.134 0 1 HKAF Clc1ccc(CO[C@@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1 27526076 NEMILYAYVCLLDG-RRPNLBNLSA-N 417.980 6.152 0 1 HKAF O=C1C[C@H](O)C[C@H](/C=C/c2c(Cl)cc(Cl)cc2OC/C=C/c2ccccc2)O1 29409170 XDMKMXBHKVLFCC-KLBZOEPFSA-N 419.304 5.165 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 34064860 LIIFBMGUDSHTOU-PKYVYUFTSA-N 424.713 8.377 0 1 HKAF O=C(Nc1cccc(Nc2ccnc(Nc3cccc(C(F)(F)F)c3)n2)c1)C1CC1 34803089 ZJYUMCJZQBEWOW-UHFFFAOYSA-N 413.403 5.331 0 1 HKAF c1ccc(CC2=Nc3c(Sc4ccccc4)ncnc3Sc3ccccc32)cc1 35817545 YLTPZJCDPCLSQT-UHFFFAOYSA-N 411.555 6.456 0 1 HKAF O=c1cc(CNCc2ccccc2)c2ccc(OCc3cccc(Cl)c3)cc2o1 36520107 GQELICDQBZZTOT-UHFFFAOYSA-N 405.881 5.315 0 1 HKAF COc1cc(-c2cc(C)c(N[C@@H](C)c3ccc(F)cc3)nn2)ccc1-n1cnc(C)c1 43203929 AXSVCBVCOHXIKI-KRWDZBQOSA-N 417.488 5.267 0 1 HKAF COc1cccc(CNc2cc(Oc3ccc(OC)c4ccccc34)ncn2)c1OC 82067682 KRKHXSLKRSBQEO-UHFFFAOYSA-N 417.465 5.060 0 1 HKAF Cc1cccc(-c2nc(N[C@H]3CCCC[C@@H]3C)ncc2-c2nc3ccccc3s2)c1 82167471 GDTSNTCNNRGFBK-PXNSSMCTSA-N 414.578 6.719 0 1 HKAF C[C@@H]1CCCC[C@H]1Nc1ncc(-c2nc3ccccc3s2)c(-c2ccccc2F)n1 82175220 OQNPKBKEBSVSMF-DNVCBOLYSA-N 418.541 6.550 0 1 HKAF CC[C@H](C)Cn1c(-c2cccs2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187396 XRNYOOUSXWPPGZ-HNNXBMFYSA-N 409.534 5.395 0 1 HKAF Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)OCC[C@H](C(=O)O)C3)c1 84616063 LPTAIEHCYZVDKZ-QFIPXVFZSA-N 402.490 5.575 0 1 HKAF CO[C@H]1Cc2c(csc2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1 95554537 HRZFOYOZKSYQPA-HSZRJFAPSA-N 405.563 5.452 0 1 HKAF Oc1ccc(/C(=C(\F)c2ccccc2)c2ccc(OCCN3CCCC3)cc2)cc1 95591934 FEIFHAIPZVOTNS-OCEACIFDSA-N 403.497 5.753 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 123205849 LGJMUZUPVCAVPU-JYDWNUQHSA-N 416.734 8.105 0 1 HKAF Cc1cc(O)c(-c2ccc([C@@H](CN)C(C)C)c(F)c2)c2c1[nH]c(=O)c1sccc12 165505179 ZRHFRDOZGCEQFQ-INIZCTEOSA-N 410.514 5.261 0 1 HKAF CC1=C2C[C@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@@]12O[C@@H]1C[C@@H](C)CN[C@@H]1[C@@H]2C 169293848 QASFUMOKHFSJGL-ZAYHGSLJSA-N 411.630 5.002 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255195908 AOQRDALGACAKHI-GEGAPCKMSA-N 414.718 7.881 0 1 HKAF CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NC[C@@H](O)CC 299876415 FQQMFHBOKYNGIK-ZKMPZPQNSA-N 422.569 5.255 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4nc(Cl)c(Cl)cc4[nH]3)cc2)CC1 586879048 DCLWDRHWRXDOFA-SHTZXODSSA-N 402.369 7.396 0 1 HKAF OCCc1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c1 586997927 GAXRVJAAZSGBMO-UHFFFAOYSA-N 423.310 5.106 0 1 HKAF Cc1ccc(-c2nc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c(C)s2)cc1 587013539 PRYFTQYNLXXXOD-UHFFFAOYSA-N 405.470 6.582 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(OC)c(OC)cc2[nH]1 587034604 PWHXZEGOJUSWKU-AWEZNQCLSA-N 409.511 5.066 0 1 HKAF O=C(c1ccccc1)c1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1 587083245 KQRJXIDLMXVIKX-UHFFFAOYSA-N 418.283 6.316 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(N5CCCCC5)c(N)c4)nc13)-c1ccccc1C2=O 587097852 QGDPEVATDHCIRO-UHFFFAOYSA-N 419.528 5.994 0 1 HKAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(Br)cc(F)c2[nH]1 587162577 GILIJEKDCFRMPO-UHFFFAOYSA-N 413.221 5.502 0 1 HKAF Cc1nc2ccc(C(=O)O)cc2c(Cl)c1CCc1cc2c3c(cccc3n1)CC2 587209058 HKPCGOKMTSEZJO-UHFFFAOYSA-N 402.881 5.327 0 1 HKAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cn1 587247853 VHONYNMLCYFMEZ-UHFFFAOYSA-N 412.799 5.162 0 1 HKAF COc1cccc(-c2c(Cc3ccccc3)c(C(F)F)nc3c2oc2ccccc23)c1 587358410 AYRGKRIBMQAQMA-UHFFFAOYSA-N 415.439 7.185 0 1 HKAF COc1cccc(-c2cc(-c3c(F)cccc3Cl)nc3c2oc2ccccc23)c1 587360365 MZDHGDSZVCLPIA-UHFFFAOYSA-N 403.840 7.116 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(-c3cc(C)ccc3C)c1Cl)CC2=O 587461337 MFPYZCLQIMHUDD-OAQYLSRUSA-N 424.928 5.816 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(C(C)(C)C)[nH]c3ccc(CC)cc13)CC2=O 587482406 ITZFORZJYHMVIK-QFIPXVFZSA-N 405.538 6.392 0 1 HKAF O=C1C[C@@H](c2cc(Br)c(F)c(F)c2O)Oc2c1ccc1c2CCCC1 587501231 ASLHTILZGFADKN-HNNXBMFYSA-N 409.226 5.018 0 1 HKAF O=C1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 587505659 JIKZLPBPISXMRO-XMMPIXPASA-N 411.476 6.559 0 1 HKAF O=C1C[C@@H](c2c[nH]c3cc(OCc4ccccc4)ccc23)Oc2c1ccc1c2CCCC1 587525461 NIOSUTFWBWHYHB-MHZLTWQESA-N 423.512 6.332 0 1 HKAF CCSc1cc(Br)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587532765 OGCWVJQMPIRKHA-LJQANCHMSA-N 417.368 6.146 0 1 HKAF CCCc1sc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587533514 WODFCFKMKQSCRE-OAQYLSRUSA-N 419.384 6.223 0 1 HKAF CCOP(=O)(OCC)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587534193 XZADWBHMJNPLKA-JOCHJYFZSA-N 414.438 5.163 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(F)c2)cc1 587573334 VXUBIZRFQNLOQB-BVAGGSTKSA-N 412.416 5.901 0 1 HKAF Cc1cc(Br)sc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612694 KOGXGXKPOMKDRC-YJBOKZPZSA-N 417.280 5.228 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3ccc(Br)cc3)[nH]c12 587624941 WOIWGKQJJGHQSP-UHFFFAOYSA-N 416.624 6.304 0 1 HKAF Cc1ccc2nc(Cl)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587707696 WJDVRAXUFRUDFZ-WYRIXSBYSA-N 419.725 5.722 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccc(C(F)(F)F)cc2)N1 587710524 DISTZYFBZFYLHV-ADLMAVQZSA-N 416.256 5.815 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)c(Cl)cc2F)N1 587720475 RSCRDCJNOOJFNS-QPFGOUBPSA-N 404.657 5.318 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(F)c3)nc2)N1 587727508 BLMPHIBZBLKQOH-QKVFXAPYSA-N 415.281 5.413 0 1 HKAF Cc1c(F)ccc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n(C)c12 587728449 SIFMMKZPHJANHR-GIGQVBGESA-N 405.286 5.151 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2N2CCCCCC2)N1 587767209 QVFKZUYBBGOASH-YWMUFLPLSA-N 409.387 5.136 0 1 HKAF CCOC(=O)C[C@@]1(CCCC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587792191 AYXDZRHCWILUIM-JLTOFOAXSA-N 414.359 5.097 0 1 HKAF COc1ccc([C@H](C)[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587810451 XLKDTLRBIRBKPO-BYVOGVQKSA-N 422.338 5.159 0 1 HKAF CO[C@@H]1C[C@H](c2ccccc2)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587812269 QCANYHXTBJMFRC-QMNBMJBWSA-N 418.350 5.300 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc3ccccc3c2Cl)N1 587852374 GAENLTOTNUQJNK-HUTHGQBESA-N 410.739 6.080 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1ccccc1C 587864178 GEOFFFFRGYZSCZ-HNNXBMFYSA-N 418.415 5.384 0 1 HKAF O=C(c1ccc(COc2cccc(Cl)c2)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587873879 LCRJCAAUJTYVHM-UHFFFAOYSA-N 420.827 5.716 0 1 HKAF COc1cccc(C(=O)c2ccc(-c3nc4c(C)c(Br)ccc4[nH]3)cc2)c1 587930439 BYBRDROOZDNOFB-UHFFFAOYSA-N 421.294 5.540 0 1 HKAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(OCc5ccccc5)cc4[nH]1)(C3)C2 587950810 NPUOEWLZEROVLS-ADXLDGDMSA-N 416.521 5.295 0 1 HKAF CC[C@H](c1ccc(-c2nc3ccccc3s2)cc1)c1nnnn1Cc1cccs1 653792960 HBWYQSFAKUCGPU-GOSISDBHSA-N 417.563 5.602 0 1 HKAF CC(C)(C)c1ccc([C@@]2(c3ccccn3)NCCc3cccc(-c4ccccc4)c32)cc1 962663313 GEELPDJQGFREGQ-PMERELPUSA-N 418.584 6.484 0 1 HKAF O=C([C@@H]1Cc2ccccc2[C@]2(C=C(Cl)C[C@@H](c3ccccc3)C2)N1)C(F)(F)F 962765748 NBMNREFKPJEDOR-PBEJRMEISA-N 405.847 5.228 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CC(=O)C(F)(F)F)(c2cc(C)oc2C)N1 962955422 SENIZEPVFSKXIQ-SPLOXXLWSA-N 404.432 5.067 0 1 HKAF Cc1ccc([C@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)c(OCc2ccccc2)c1 963110140 MQXDGRYTTIQRFP-HOFKKMOUSA-N 401.525 5.997 0 1 HKAF COc1ccc(-c2ccc([C@]3(C4CC4)c4c(F)cccc4C[C@H]4CCCN43)cc2)cc1 963114493 UEZQRJSDCGHCHB-YWEHKCAJSA-N 413.536 6.175 0 1 HKAF COc1ccc(CSc2nc3ccc(Cl)cc3c(=O)n2-c2ccc(C)cc2)cc1 1772617715 NZHHKBJUTJGIBH-UHFFFAOYSA-N 422.937 5.648 0 1 HKAF COc1cccc(N2CCN(C(=O)N3c4ccccc4C=Cc4ccccc43)CC2)c1 1772657392 OXVNKCOXCSBZEG-UHFFFAOYSA-N 411.505 5.259 0 1 HKAF CCOP(=O)(OCC)[C@@H](N(O[C@@H](C)c1cn(C)cn1)C(C)(C)C)C(C)(C)C 1857539351 JPGPKRXXXWYEON-DOTOQJQBSA-N 403.504 5.152 0 1 HKAF COc1cc(OC)c(OC)cc1/C=C/COC(=O)/C=C/c1cccc(C(F)(F)F)c1 1857606723 WGQMXIIVQMVBDH-GLVZAGOZSA-N 422.399 5.001 0 1 HKAF Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2c2ccc(-c3ccccn3)cn2)s1 1857771184 WXELXYNDJWNOGQ-AREMUKBSSA-N 422.557 6.147 0 1 HKAF COc1cc2c(c(C)c1-c1ccoc1)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C 2356429529 YDLXVDBWQZWRFB-XPYDTKJVSA-N 424.581 5.262 0 1 HKAF CC(C)C[C@H](C)C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356512229 WBAMVVMXWWWSLU-JWAXJRHZSA-N 400.691 7.635 0 1 HKAF CC(C)C[C@@H](O)[C@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356616745 FHSVMYDBGPVTTJ-LWPMARJRSA-N 420.678 5.410 0 1 HKAF CC(=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@@H](C)C(C)C 2356636748 SXOOOXJHQQTJJY-PYYRWUFESA-N 412.702 7.801 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc(O)c2c1OC[C@@H](c1ccc(O)cc1O)C2=O 2356669812 NRWALBDZFNTPSD-IBGZPJMESA-N 424.493 5.103 0 1 HKAF CC[C@H](C)NC(=O)C=CC=CCCCCCCCCC=Cc1ccc2c(c1)OCO2 2356783652 LTJAHMIACAATBL-QFIPXVFZSA-N 411.586 6.576 0 1 HKAF O=C(Nc1cccc(-c2csc(Nc3ccc(Cl)cc3)n2)c1)c1ccccc1 4708669 IJTKWMOSZGXHMI-UHFFFAOYSA-N 405.910 6.459 0 3 HKAF CC(C)CCn1c2c(ccc1=O)[C@H](NCCc1ccc(Cl)c(Cl)c1)CCC2 13743287 SFYBZPXKAFOYMU-HXUWFJFHSA-N 407.385 5.411 0 1 HKAF COc1ccc([C@@H]2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)cc1 13863907 ITLDIACTCBIPIB-NOZRDPDXSA-N 420.516 5.543 0 1 HKAF CC1=CC[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@]23C)[C@@H]1Cc1cc(C(=O)O)ccc1O 14585459 VIOMEESUKISOEL-RXNJICPVSA-N 410.598 6.848 0 1 HKAF biogenic COc1c(CC=C(C)C)c(O)c2c(c1CC=C(C)C)O[C@H](c1ccc(O)cc1)CC2=O 14780815 LZMKMDHLCFLWBH-QFIPXVFZSA-N 422.521 5.830 0 1 HKAF biogenic COc1ccc2c(c1CC=C(C)C)O[C@@H]1c3cc(CC=C(C)C)c(O)cc3OC[C@@]21O 14780991 OOAXWUFECWLVEQ-CLJLJLNGSA-N 422.521 5.132 0 1 HKAF biogenic CC1=C(CC/C(C)=C/CCC2=CC[C@H](C3=CC(=O)O[C@H]3O)OC2=O)C(C)(C)CCC1 26567390 HGIGODMMBPJRDK-MLSYQTISSA-N 414.542 5.063 0 1 HKAF CCN1C[C@H](C(=O)OC2CCCCC2)C[C@@H]2c3cccc4c3c(cn4C(C)C)C[C@@H]21 27520457 JOXZPGZYPLJYPY-CKUXNOBLSA-N 408.586 5.448 0 1 HKAF CC(C)c1cc(Oc2c(Cl)cc3[nH]c(C(=O)O)cc(=O)c3c2Cl)ccc1O 28572104 REFNRSMJTOAWKU-UHFFFAOYSA-N 408.237 5.154 0 1 HKAF CN(Cc1ccccc1)C(=O)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 28826667 UVYPNFHJJUENOI-UHFFFAOYSA-N 402.372 5.524 0 1 HKAF COc1ccc(N(C)C(=O)Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 28826702 JFBACVAZUNNBSN-UHFFFAOYSA-N 418.371 5.537 0 1 HKAF Cc1cc(-c2ocnc2C)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 43021703 VTDCAFXWESMUOM-UHFFFAOYSA-N 400.265 5.787 0 1 HKAF CCCN(CCc1ccc(O)cc1)C(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 43075159 MGHIXPKFVULGHX-FQEVSTJZSA-N 415.533 5.208 0 1 HKAF Cc1ccc(S(=O)(=O)Nc2sccc2-c2nc3ccccc3s2)cc1Cl 43122467 KQENPSNVARVVKF-UHFFFAOYSA-N 420.968 5.787 0 1 HKAF CC(C)(C)CNCC(C)(C)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1 45323888 NESOJJJNHVAFTN-UHFFFAOYSA-N 412.965 5.411 0 1 HKAF COc1ccc(Cc2cc([C@H]3[C@@H](c4ccc(C)cc4)C[C@@H]4CC[C@H]3N4C)on2)cc1 45497616 YNBPFDTUMKTMGE-PFHLPCBSSA-N 402.538 5.316 0 1 HKAF Cc1ccc(OCc2ccccc2-c2nnc(SCc3ccc(Cl)cc3)o2)cc1 64454039 AFSQINBFWCUDGM-UHFFFAOYSA-N 422.937 6.570 0 1 HKAF Cc1cccc(-c2nc(NCC3CCCCC3)ncc2C(=O)NCc2ccccc2)c1 82146470 XQCHMSABVSOAQI-UHFFFAOYSA-N 414.553 5.374 0 1 HKAF COc1ccccc1CCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccc(F)cc2)n1 82165057 RCTIIUAFBNMALZ-UHFFFAOYSA-N 418.472 5.218 0 1 HKAF CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc(N(C)C)cc1 100703951 RQSWPCFSHITENH-KRWDZBQOSA-N 424.570 5.210 0 1 HKAF COc1ccc([C@@H](Nc2ccc(C(F)(F)F)cc2)c2c(C)[nH]c3ccccc23)cc1 103244871 NNTQFFZNUZBJND-HSZRJFAPSA-N 410.439 6.705 0 1 HKAF CCOc1ccc(-n2cc(CCc3ccccc3)c3cc(CCC(=O)O)ccc32)cc1 141292795 JVWVMEQGSHHKJV-UHFFFAOYSA-N 413.517 5.832 0 1 HKAF COc1ccc2cc(CC[C@@H](C)OC(=O)c3cc(OC)c(OC)c(OC)c3)ccc2c1 169333136 KGLMTJQWQUXBDY-MRXNPFEDSA-N 424.493 5.052 0 1 HKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)Nc1ccc2[nH]ncc2c1 169371006 UYWJHPBUSXDXOJ-MLFLMRJSSA-N 419.613 7.647 0 1 HKAF CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1nc2cc(C)ccc2n1C 169722388 DGMFFGXXSQCNDK-SFTDATJTSA-N 424.335 5.864 0 1 HKAF Cc1ccccc1C1CCN(C2CCC(NC(=O)/C=C\c3cccc(F)c3)CC2)CC1 206761853 ORMVZNWHCMRVKA-ZROIWOOFSA-N 420.572 5.454 0 1 HKAF Cc1cccc2c1[C@@H]1[C@H](O)C[C@]3(C)[C@H]4[C@H](C[C@@H]3[C@H]1CC2)O[C@@]1(CC[C@H](C)CO1)[C@@H]4C 238762902 PFUVYHARQPNXCK-VXPWLPPDSA-N 410.598 5.226 0 1 HKAF CC(C)C[C@H](NC(=O)Cn1ccc2ccc(-c3cccc4ccccc34)cc21)C(=O)O 299831607 DCSVOYCZGSFPHA-QHCPKHFHSA-N 414.505 5.077 0 1 HKAF c1cncc(-c2cccc(Nc3nccn4cc(-c5ccc6ccccc6c5)nc34)c2)c1 299837559 RJOQQRIXVQKZJH-UHFFFAOYSA-N 413.484 6.355 0 1 HKAF CN[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 299848413 ORPDGDBKUOHGBE-YNTOMXFVSA-N 401.723 7.696 0 1 HKAF FC(F)(F)c1c(Br)ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c12 586885268 LTIGLWDFCVCOKY-SGTLLEGYSA-N 407.233 5.716 0 1 HKAF Cc1c(Cl)ccc2nc(COc3ccc4ccccc4c3Br)[nH]c12 587001348 NNTFDDAJEXGIDY-UHFFFAOYSA-N 401.691 6.019 0 1 HKAF COc1cc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1C 587031027 KYIZQHHMPXCORC-GGNJANJASA-N 414.556 5.007 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4nccc(Br)c4[nH]3)c21 587032155 ZKUIUUGJHFWRAJ-LLVKDONJSA-N 413.344 5.679 0 1 HKAF CCCOc1cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2cc1Br 587073064 DVOKTQXJXYAKSK-UHFFFAOYSA-N 419.750 6.042 0 1 HKAF CCC[C@H](OC)c1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587097530 QGSYYHYOUDSEEZ-VWLOTQADSA-N 407.513 6.909 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cnc(Nc4ccc(F)cc4)s3)nc3cccc1c23 587103261 DQTXXAHWXAZBMH-UHFFFAOYSA-N 423.472 6.452 0 1 HKAF Cc1cc(Br)c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1F 587138128 WZTUXCBSTDEGKE-UHFFFAOYSA-N 411.274 6.019 0 1 HKAF Fc1ccccc1-c1cccc(-c2nc3cc(I)cnc3[nH]2)c1 587153532 UDFYISULBZBMKG-UHFFFAOYSA-N 415.209 5.036 0 1 HKAF Fc1ccc(-n2nnc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c2C2CC2)cc1 587167812 FDGGDFIAPCJQFA-UHFFFAOYSA-N 421.785 5.499 0 1 HKAF CCCCCOc1cc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2cc1Br 587175355 YPAWGRIRUUVLPB-IBGZPJMESA-N 419.294 5.710 0 1 HKAF CCCCCOc1cc2nc(-c3ccc(Cl)nc3F)[nH]c2cc1Br 587177389 HCTBWQUHOXTLGA-UHFFFAOYSA-N 412.690 5.749 0 1 HKAF Cc1cc(Br)cc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 587220412 RSHKFIREAOILHL-HXUWFJFHSA-N 420.310 5.153 0 1 HKAF C[C@H](c1ccc(Cl)cc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327634 HIWNAUNNWKLUOP-FUEHQLCJSA-N 410.872 6.106 0 1 HKAF COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1SC 587379767 ZTCZPIVHNVPBKJ-UPVQGACJSA-N 424.493 5.536 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](OC(C)C)c1ccccc1)O2 587399778 KBDXJKDMZFNHCL-FTJBHMTQSA-N 401.506 5.604 0 1 HKAF COc1cc2c3c(c1)O[C@@]1(CCCCC[C@@H]1c1ccccc1C(F)(F)F)[C@@H](C2)C3=O 587422860 VLNZDGPOZSTLQP-HFJQGTKSSA-N 416.439 5.948 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(SCc3ccccc3)cc1)CC2=O 587491176 JXMIOZOUCBGAHF-XMMPIXPASA-N 404.531 6.344 0 1 HKAF C[C@]1(c2ccc(Oc3ccc(F)cc3F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587507665 RXJCIYXLTHWFTK-AREMUKBSSA-N 420.455 6.517 0 1 HKAF CC(C)[C@@]1(c2ccc(Br)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587530515 FOGMAZGPEQNDEB-HXUWFJFHSA-N 405.357 5.906 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc2ccc(Cl)cc12 587554253 WODLKJYINDBFEQ-NFBKMPQASA-N 403.821 5.297 0 1 HKAF CC(C)(C)OC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587595041 MGYYBPRNTRCQPO-OFNKIYASSA-N 418.445 5.050 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C2CCCCC2)s1 587612182 KUTIKMVFDYIGFK-XUZZJYLKSA-N 406.503 6.204 0 1 HKAF CCOC(=O)c1c(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]c2c(C)cc(Cl)cc12 587626651 GRRISKWAEHNQCV-UHFFFAOYSA-N 420.937 5.421 0 1 HKAF Cc1cc(Cl)cc2c(-c3ccccc3)c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)[nH]c12 587627420 VPUNJXDCBXDKME-GOSISDBHSA-N 424.972 6.911 0 1 HKAF CCOC(=O)c1c(-c2cc(C)nn2C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627618 FTFFAISYSOENJY-UHFFFAOYSA-N 419.325 5.091 0 1 HKAF CCN(CC)c1ccc(-c2nn(-c3ccc(C)c(C)c3)c(=O)c3ccccc23)c(O)c1 587665948 UUYRMTDLAHOFBK-UHFFFAOYSA-N 413.521 5.221 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ccc(Cl)c2Cl)N1 587699848 XTJADAMFTRQHKZ-VGDKGRGNSA-N 423.540 6.172 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C(Cl)c3ccccc3CC2)N1 587706918 SOPNKVOLDWGHKN-PRWKNARSSA-N 406.726 5.760 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cc(C(F)(F)F)cc2F)N1 587713575 SPGHZVRZXBJEMP-QZTNRIJFSA-N 424.182 5.509 0 1 HKAF Cc1ccc(-n2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c(C)c1 587753471 JDELSLHCKZCUFC-NYHFZMIOSA-N 413.334 5.619 0 1 HKAF CCCOc1c(C)cc(C)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587791393 IBDIVRCYKKTFPD-VBKZILBWSA-N 406.339 5.617 0 1 HKAF CCc1ccc(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587795280 OBANQTZUFSFJJO-QKVFXAPYSA-N 414.322 5.164 0 1 HKAF Cc1cc(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C=O 587816314 WGZJJTCGSJAWPZ-ZSEKCTLFSA-N 404.323 5.124 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccccc1CCc1ccccc12 587829121 QRENDIHPJBZFSQ-OAHLLOKOSA-N 422.341 5.513 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(C(F)(F)F)cc1 587864103 CMCJMVWUOMLTOX-UHFFFAOYSA-N 400.322 5.976 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccccc1Oc1ccccc1 587870449 JKYNWDIOIMOOMI-UHFFFAOYSA-N 402.425 5.569 0 1 HKAF Fc1ccc2c(c1)-c1cc(n(-c3c(Cl)cc(Br)cc3Cl)n1)O2 587873132 VDISIDQZOAJKLH-UHFFFAOYSA-N 400.034 5.853 0 1 HKAF CC(C)(C)Oc1ccc(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 587939746 FFKIDZBPIQBJTG-UHFFFAOYSA-N 403.520 6.627 0 1 HKAF Cc1ccc(C)c(Cc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)c1 587958501 GFNUKFGHAXLVRJ-UHFFFAOYSA-N 423.438 6.042 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c[nH]c(=N)[nH]c-2n1 587962557 YNJOIVVRMKWPCM-XSCOUVMYSA-N 419.617 6.571 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@]3(CC(=O)c1ccc(C)cc1)C(C)(C)C 963039319 UQPQPAMVIKMZTP-SANMLTNESA-N 402.538 5.212 0 1 HKAF Cc1ccc(C[C@]2(C3CC3)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963190076 NVKZRLDOEQCHOP-TZIWHRDSSA-N 423.862 5.114 0 1 HKAF O=C1CCS[C@@H](c2ccccc2)N1CCCNc1ccnc2cc(Cl)ccc12 1772612700 CBTACXULSMSVGF-QFIPXVFZSA-N 411.958 5.355 0 1 HKAF Oc1ccc(-c2cc(-c3ccccc3C(F)(F)F)nc3c2Cc2ccc(O)cc2-3)cc1 1857580148 CWUZPNCDJBBDQG-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF CCCCC[C@@H](C=CCCCCCCCc1cc(O)cc(O)c1C(=O)O)OC(C)=O 2356632770 SBXHSSAGYGUAKV-NRFANRHFSA-N 420.546 5.747 0 1 HKAF CC(C)(O)C=CC[C@]1(C)C=Cc2c(cc(C=Cc3ccccc3)c(C(=O)O)c2O)O1 2356636699 RCGUJEUZXALNFO-RUZDIDTESA-N 406.478 5.142 0 1 HKAF CC1=C2C[C@@]34CC[C@H]5CCC[C@H](C6=CCC7=C6[C@@H]3[N@]3C[C@]36CCC[C@H]6C7)[C@@]4(C)[C@@]25CC1 2356762710 OGBNNUCMJFMTRR-ULXCPHCYSA-N 413.649 6.957 0 1 HKAF CCC[C@H](C)C(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3OC)n2)s1 8579123 IHGJLLZSWRNUSF-LBPRGKRZSA-N 416.572 5.702 0 3 HKAF aggregator Cc1cccc(C(=O)Nc2ccc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)c1 8680117 LJCAZXUOSUOUCH-UHFFFAOYSA-N 405.837 5.380 0 3 HKAF aggregator CC[C@H](C)Sc1ccc(-c2nc3ccc(Cl)cn3c2NCc2ccccc2)cc1 61959827 VULOIEXFFWYXRR-KRWDZBQOSA-N 421.997 7.157 0 3 HKAF COc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccccc1F 773800 ULFUOKSJXLJZMX-UHFFFAOYSA-N 420.415 5.225 0 1 HKAF CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccccn2)C2=C(O)CC(C)(C)CC2=N1 6564418 JWDHDWOIXIFRGQ-JOCHJYFZSA-N 405.473 5.304 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(C)C 7997590 KZJWDPNRJALLNS-OSMDDANVSA-N 414.718 8.025 0 1 HKAF O=c1c(-c2ccc(Cl)cc2Cl)cccn1[C@@H](CN1CCCC1)c1ccccc1 13488425 SYKGXHAZDBBSHW-QFIPXVFZSA-N 413.348 5.507 0 1 HKAF CCCCOP(=O)(C[C@@H](CCc1ccccc1)OC(=O)C1CC1)OCCCC 26674829 ZMXYFZKTPNCSCW-OAQYLSRUSA-N 410.491 5.768 0 1 HKAF Cc1ccccc1-c1ccc2c(c1)CSc1c-2nc2ccc(F)cc2c1C(=O)O 26835676 YIHONJAYBRTBET-UHFFFAOYSA-N 401.462 6.320 0 1 HKAF C[C@H](O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 26948261 CFGZNBTZRKMBCN-INIZCTEOSA-N 408.954 6.084 0 1 HKAF O=C(O)CC/C=C\C[C@@H]1CO[C@@H](c2ccc(Cl)c(Cl)c2)O[C@@H]1c1cccnc1 27742531 IXVZMIJUOSLLMR-PSBJTMMRSA-N 422.308 5.602 0 1 HKAF COC1CCC(C(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)CC1 28571101 PVBFXVLGPVXIGL-UHFFFAOYSA-N 402.498 5.031 0 1 HKAF O=C(NC[C@@H]1CCC[C@H]1[C@@H](O)CCc1ccccc1)c1cc(Cl)cc(Cl)c1 28571430 UOIDISPSJISPQH-DQLDELGASA-N 406.353 5.133 0 1 HKAF CC(=O)CCCCC[C@H](Nc1cncs1)C(=O)Nc1cccc(-c2ccccc2)c1 29133213 DOEIGWXAPHHZRA-QFIPXVFZSA-N 421.566 5.769 0 1 HKAF CCCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2n1 34323601 FYVMTTJUMRLJMT-KPKJPENVSA-N 413.443 5.830 0 1 HKAF Cc1ccc(S(=O)(=O)Nc2cccc(SCc3ccc4ccccc4n3)c2)cc1 40823085 JOUXDWDZTAYDHK-UHFFFAOYSA-N 420.559 5.636 0 1 HKAF Cc1cc(Cc2cc(C)c3cc(C(C)C)ccc(C)c2-3)c2c(C)ccc(C(C)C)cc1-2 42851446 IDPKUZZCOXJZMY-UHFFFAOYSA-N 408.629 8.967 0 1 HKAF biogenic CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)Nc1ccccc1Cl 43101826 KCOVHADXTDXMMB-LGPLSSKUSA-N 410.001 7.112 0 1 HKAF CO[C@](C)(c1cccs1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C 45245363 DQSFCOKHCJUZSN-TUSQITKMSA-N 422.569 6.516 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)[C@@H](C)CN(C)C)c4)s3)nc12 45323267 DRCJUMMGHIKDOO-INIZCTEOSA-N 418.566 5.403 0 1 HKAF CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)c2ccc(C)c(C)c2)c2ccccc21 49047690 LWTUYNJQSLFRCB-FNZWTVRRSA-N 412.533 5.837 0 1 HKAF O=C(Nc1ccc(Oc2ccc(-c3ncc[nH]3)cc2)cc1)Nc1ccc(F)c(Cl)c1 49808306 KZUJPUMQRLODNU-UHFFFAOYSA-N 422.847 6.306 0 1 HKAF CC(C)=CCN1C(=O)[C@@]2(O[C@@H](COc3ccccc3)CC3=C2CCC3)c2ccccc21 66136397 HLGCXWDUEODXAU-AMGIVPHBSA-N 415.533 5.543 0 1 HKAF CC(C)=CC[C@@]1(C)C(=O)C(C)(C)Nc2c(C)cc(-c3cccc4cc[nH]c34)c(Cl)c21 66251515 VPGLREFJYMSJHR-AREMUKBSSA-N 420.984 7.184 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@](C)(O)c1nccs1 72113787 XUVZXXRWWZAFQH-KIJBANGJSA-N 401.616 5.291 0 1 HKAF c1ccc(-c2cnc(-c3cnc(NC4CCCCC4)nc3-c3ccccc3)s2)cc1 82162524 PNXOWJBDFWGYOG-UHFFFAOYSA-N 412.562 6.679 0 1 HKAF CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(Cl)c2Cl)C2=C(O)CCCC2=N1 103522703 XAJFXTNPJBKSST-IBGZPJMESA-N 420.336 6.287 0 1 HKAF Cc1cn(C[C@H]2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)nc1C 118629357 CYEKERUNBYWVCC-FZNQNYSPSA-N 413.871 5.161 0 1 HKAF C[C@@H]1CC[C@]2(NC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 118913858 KWVISVAMQJWJSZ-WBHRXQROSA-N 413.646 5.287 0 1 HKAF endogenous,in-man COc1cccc(OC)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc2oc3ccccc3c2c1 223036049 WDQKCMWGNYOTEG-OALUTQOASA-N 419.452 5.415 0 1 HKAF CCCCCC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 299821958 CSARAAVLBATHMP-UHFFFAOYSA-N 408.973 5.838 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(Br)cccc4[nH]3)cc2)CC1 586881990 ZSRUZFJDZDKTFQ-QAQDUYKDSA-N 411.387 7.456 0 1 HKAF Cc1c(-c2nc3cc(Br)c(OC(C)C)cc3[nH]2)oc2c1[C@H](O)CCC2 586905715 ZTGYQQIUPMGQBW-CQSZACIVSA-N 405.292 5.051 0 1 HKAF Cc1cc(Cc2nc3cc(Br)c(C)c(C)c3[nH]2)ccc1Br 586978234 ZPKKVSVYJUUYDO-UHFFFAOYSA-N 408.137 5.604 0 1 HKAF Cc1ncc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c(C)c1Br 586979220 UAXURSBBRKJGPK-UHFFFAOYSA-N 415.516 5.420 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4nc(Cl)c(Cl)cc4[nH]3)c21 587030458 DXTZBOVFVXKXGV-JTQLQIEISA-N 403.338 6.224 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587035279 ULHSSWLQYJMSEP-CQSZACIVSA-N 418.349 6.356 0 1 HKAF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1 587052030 VGCVAUKAZVDDIX-UHFFFAOYSA-N 421.305 5.590 0 1 HKAF CCN1C(=O)C[C@@H](c2nc3cc(Cl)c(Cl)cc3[nH]2)[C@@H]1c1ccccc1Cl 587062544 XLAAJTRTLUZDLR-ZMZPIMSZSA-N 408.716 5.600 0 1 HKAF CNc1cc(Cl)ccc1-c1nc2cc(Br)c(Br)cc2[nH]1 587067302 SQGBRTGLKDGENR-UHFFFAOYSA-N 415.516 5.450 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(F)cnc(Cl)c2[nH]1 587072836 YCFYNHPEGFXSOH-CEDDKSNKSA-N 410.707 6.423 0 1 HKAF Clc1ccc(-c2cnccc2-c2nc3ncc(Br)c(Cl)c3[nH]2)cc1 587073376 DELGNCRDLWDRDH-UHFFFAOYSA-N 420.097 5.756 0 1 HKAF Clc1ccc(C2=C[C@H](c3nc4ccc(OCc5ccccc5)cc4[nH]3)ON2)cc1 587075635 FYVBUBVMLPUNSN-JOCHJYFZSA-N 403.869 5.412 0 1 HKAF Cc1ccnc2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc12 587075855 KQJQQGBCRNZZNY-SAPNQHFASA-N 422.919 6.622 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(-c4cccc(C(F)(F)F)c4)[nH]c3c2)cc1 587111433 CRISMOCDJVLJLG-UHFFFAOYSA-N 412.367 5.828 0 1 HKAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2c(Br)ccnc2[nH]1 587127911 BUMOLETWWMBGNJ-UHFFFAOYSA-N 407.243 5.449 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587133965 GLHNZHPRTGMPPH-CLFYSBASSA-N 414.333 5.660 0 1 HKAF CC[C@@H](Oc1ccccc1F)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587156599 XBRYQJPDEUSNTI-CQSZACIVSA-N 417.200 6.013 0 1 HKAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 587240144 GATXULOIWPIOEM-UHFFFAOYSA-N 409.364 5.181 0 1 HKAF CC(C)[C@@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587371831 DLQILRWMRJHQEH-UNMCSNQZSA-N 416.901 6.157 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccc(Cl)c(C(F)(F)F)c1)O2 587381749 LBNZABQWUKBZAX-IBGZPJMESA-N 420.818 5.747 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(SC)cc4)cc1O)[C@@H](C2)C3=O 587452319 OGLUYPDSUIIKQX-CYFREDJKSA-N 404.487 5.278 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)Oc1cccc(C(F)(F)F)c1)CC2=O 587464147 JORLKKOMYHJWSU-YEJXKQKISA-N 408.416 5.555 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1nn(Cc3ccccc3)c3ccccc13)CC2=O 587479411 ZJTVWFJCLSIZFT-DEOSSOPVSA-N 412.489 5.449 0 1 HKAF O=C1C[C@H](c2c(F)cccc2I)Oc2c1ccc1c2CCCC1 587507820 SRSQOKJHTWQMPP-QGZVFWFLSA-N 422.237 5.016 0 1 HKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(Br)=COc1cc(F)ccc12 587509450 RWZFOCYCYRDKEV-OAQYLSRUSA-N 415.258 5.194 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCNc1ccc(Cl)cc12 587551641 HZJUCXMGDWRVEP-NFBKMPQASA-N 407.853 5.108 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2ccc(F)cc2)c1 587572616 SUVYMMFHZAHXOD-JYFHCDHNSA-N 412.416 5.901 0 1 HKAF O=C(c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1)C1CCCC1 587604557 WUWGRHGEBBJEOM-GJZUVCINSA-N 414.457 5.468 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)c(N)c(Cl)c2)N1 587694148 OJHGDVORBNFCBZ-WNWIJWBNSA-N 418.137 5.275 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)(F)F)c(F)c2)N1 587710655 GWYKEFKUAXOKFJ-PWJLMRLQSA-N 406.192 5.370 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2C(F)(F)F)N1 587713106 RNEGBMCGBRXYEH-VPTHRUTESA-N 406.192 5.370 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2Br)N1 587726318 IHNPXXDPWUHFGG-VPTHRUTESA-N 417.091 5.113 0 1 HKAF CCn1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587760611 ZHPNUHKXQQMQDA-LRTDBIEQSA-N 401.323 5.361 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2cccnc2)N1 587778965 PNLGANAZVHAIGP-ASSNKEHSSA-N 413.290 5.399 0 1 HKAF CCC[C@@H](CC1(c2nc3cc(N)c(N)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782295 RTGHRZZKZXLKFF-SFHVURJKSA-N 420.557 5.089 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2C(=O)OC(C)(C)C)N1 587795619 RQLWMUWQJQDYKM-HXPMCKFVSA-N 420.322 5.167 0 1 HKAF COc1ccc(C(C)(C)C)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587809268 SEIKKPAJDCUPHZ-ODXCJYRJSA-N 406.339 5.518 0 1 HKAF COc1ccc([C@@]2(c3ccco3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587826655 GDYSYMKIRZFOKO-ASSNKEHSSA-N 416.290 5.016 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc3ccc(Cl)cc23)N1 587853688 AWAPQHPNUTXSNI-YYSFKGJASA-N 410.739 6.080 0 1 HKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587952373 PQWHYPFYZLPMPL-GMXABZIVSA-N 408.386 6.647 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(F)cc2[nH]1 587963080 ZSHZOZYTDURAPG-UUQHCRCUSA-N 420.616 8.556 0 1 HKAF Cc1cnc(Cl)nc1-c1ccc2c(c1)CC[C@H](C)[C@H]2C(=O)c1ccc(O)cc1O 653667967 GXMWDEYADMNXAV-FKIZINRSSA-N 408.885 5.065 0 1 HKAF Cc1cc(OCCCc2c(C(=O)NC(C)(C)C)[nH]c3ccccc23)cc(C)c1Cl 653709064 ULBIMQZBSJJTLE-UHFFFAOYSA-N 412.961 5.978 0 1 HKAF Fc1ccc(-c2nc3ncccn3c2[C@@H]2NCCc3cccc(-c4ccccc4)c32)cc1 962676534 ZNTLKNUKIDIXBV-RUZDIDTESA-N 420.491 5.438 0 1 HKAF Cc1ccc(C)c2c1CCC[C@]21NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962951534 FKXSSQPTJRCROL-DEOSSOPVSA-N 415.499 5.554 0 1 HKAF COc1cccc2cc3c(nc12)[C@@](c1ccc(Cl)cc1F)(C1CCCC1)NCC3 963062150 WNLWDYSAJLPTMR-DEOSSOPVSA-N 410.920 5.615 0 1 HKAF CC(=O)Oc1cccc([C@@]2(c3ccc(C)cc3)c3ccc(F)cc3C[C@@H]3CCCN32)c1 963119003 YLNIHAFXHQIKJF-IGKIAQTJSA-N 415.508 5.372 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1cnc(Nc2ccccc2)s1)C(C)(C)C 963222679 BQEPCWBDYIUXDP-NIYFSFCBSA-N 419.638 6.833 0 1 HKAF Cc1nn(-c2ccc(Oc3ccccc3)cc2)c2nc(-c3ccco3)cc(C(=O)O)c12 1772600656 QDUROJOWBQMMQA-UHFFFAOYSA-N 411.417 5.479 0 1 HKAF COc1cccc(C(=O)[C@H](CCC2CCN(Cc3cccc(C)c3)CC2)C(C)=O)c1 1772632080 ZRZYDOAAVXNOAX-RUZDIDTESA-N 407.554 5.084 0 1 HKAF Cc1cc(N2CC[C@]3(CCN([C@H](C)c4ccc5sc(C)nc5c4)C3)C2)cc(C)n1 1857581215 ZQCGYMDLNUAQOS-KOSHJBKYSA-N 406.599 5.280 0 1 HKAF C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)OCCCCCCO)[C@H]4CC[C@]3(C[C@H]1O)C2 1857602730 OBEFLFMRSRTADJ-FCQRKYKPSA-N 420.634 5.246 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 2356458978 XHRPJMCAEXVFFM-YFWBSHNNSA-N 410.686 8.153 0 1 HKAF CC[C@H](C)C=CC=CC=C1CO[C@@H](c2c(O)c(-c3ccccc3)cn(O)c2=O)[C@@H](C)C1 2356494595 IXMWFEZJSGIEGP-XHNVNVPESA-N 421.537 5.641 0 1 HKAF CC(C)=CCC[C@@]1(C)Oc2c(O)cc3oc(-c4cc(O)cc(O)c4)cc3c2C[C@H]1O 2356629714 OJPLGFVHENPABK-ISKFKSNPSA-N 410.466 5.018 0 1 HKAF CC(C)C(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356686402 DMESHFYQZLXLBT-IPIKBYRMSA-N 400.647 6.856 0 1 HKAF CO[C@H]1C(O)=Cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2[C@H]1CC=C(C)C 2356751515 NMUIQJQZSIHEJJ-OYLFLEFRSA-N 412.482 5.080 0 1 HKAF COC(=O)[C@H](C)CC[C@@H]1C(C)=C(C)CC[C@]1(C)COc1ccc2ccc(=O)oc2c1 2356787549 VEPJENAVBBECGU-IUBQTAPSSA-N 412.526 5.514 0 1 HKAF CC[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C5=C([C@@H](O)C[C@H]4[C@@]3(C)CC[C@H]12)[C@@H](C)OC5=O 2356803369 XANPHTDZKAXPCO-QCLOIOPFSA-N 414.630 6.048 0 1 HKAF Cc1ccccc1-c1nc(CN2CCC[C@H](C(=O)NC3CCCCCC3)C2)c(C)o1 5044285 WTXMYCXRYOIYBO-FQEVSTJZSA-N 409.574 5.009 0 1 HKAF COc1ccc(C(=CCNC(=O)c2cc3ccccc3[nH]2)c2ccc(OC)cc2)cc1 13451858 BTZKQHJIBFSOIF-UHFFFAOYSA-N 412.489 5.047 0 1 HKAF Cc1cc(C)c(NC(=O)c2ccc3nc(Nc4ncccc4C)sc3c2)c(C)c1 13536546 CNLPUBSXIKQJRU-UHFFFAOYSA-N 402.523 5.921 0 1 HKAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1 26669419 LUIFNGDVMPBRRM-UHFFFAOYSA-N 401.315 5.783 0 1 HKAF Cc1c(CSc2ccncc2)cccc1SCCOC(=O)Nc1ccccc1 27433967 LRMZNLLHYPPQLK-UHFFFAOYSA-N 410.564 6.023 0 1 HKAF Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(F)cc2)n(-c2ccccc2)n1 29045400 WGSDQMIBEIDCFT-UHFFFAOYSA-N 402.429 5.756 0 1 HKAF O=c1[nH]c2ccccc2c2c1c(-c1ccccc1)nn2-c1cccc(Br)c1 29467231 JLUBYZRAWFRYTL-UHFFFAOYSA-N 416.278 5.297 0 1 HKAF CCOc1cc2c(cc1OC(C)=O)CCC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]12 38990968 HWAVFONLHJLREU-FTMJALTASA-N 414.542 5.189 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)OC(C)C 40424646 ANDHAMDHAMHCNK-BRAPJGFWSA-N 400.628 7.763 0 1 HKAF CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5ccccc5)CC4)cccc3[nH]2)cc1 40863714 ZHFGYCWGRHFKQW-UHFFFAOYSA-N 424.592 5.850 0 1 HKAF COc1c([C@@H]2COc3c(ccc(O)c3CC=C(C)C)C2=O)ccc(O)c1CC=C(C)C 43017395 XCHYGHACCAXWJR-NRFANRHFSA-N 422.521 5.483 0 1 HKAF biogenic,in-vitro CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCc1cccc(OC)c1 43018582 YAEGZFHEJKNYKH-NQLNTKRDSA-N 413.646 7.167 0 1 HKAF O=S(=O)(c1ccc(Cl)cc1)N1N=C2CCCC[C@H]2[C@H]1c1ccc(Cl)cc1 43019571 IWHYUTAJNUKGJM-IEBWSBKVSA-N 409.338 5.285 0 1 HKAF CC(=O)N[C@H](C)c1ccc(-c2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)cc1 45252957 MOXIYARTZKLEBO-HXUWFJFHSA-N 423.512 7.135 0 1 HKAF CCN(C(C)=O)c1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1 71277215 IIQBOCVWMALJKQ-UWUFEASWSA-N 423.626 5.138 0 1 HKAF O=C(c1cccc2ccccc12)N1Cc2ccccc2C[C@H]1CNCc1ccccc1 84669128 ZTTGXIOPBRMOBF-VWLOTQADSA-N 406.529 5.197 0 1 HKAF COc1ccc(OC)c(CN(C(=O)CF)c2cc(F)ccc2Oc2ccccc2)c1 84709516 HTNUJMPRDOLMKB-UHFFFAOYSA-N 413.420 5.138 0 1 HKAF COCO[C@@H]1C[C@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)COC(=O)C(C)C)[C@@H]2CC[C@@]1(C)C3 103269719 ZCMULAIBYWUMFO-ORVNRVHKSA-N 420.634 5.978 0 1 HKAF CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc(F)c2[nH]ncc2c1)c1ccccc1 114543900 UHUJSXRAADEZGF-CHPAAOTMSA-N 412.464 6.169 0 1 HKAF C/C=C(/C)C(=O)OC[C@H]1[C@@H](OC(=O)/C(C)=C\C)CC[C@@H]2Cc3occ(C)c3C[C@]12C 238746425 GESXOZGUMUECSU-AHBMPZMNSA-N 414.542 5.107 0 1 HKAF C[C@@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@@H]2CCN(C[C@H]3CCCCO3)C[C@@H]21 254129572 RWRVBLQXKOJFGU-MFWIUYSUSA-N 406.492 5.354 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CCC2=C3C=C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 261519475 JVKATXXFNVGWKA-FRVWHKJDSA-N 400.647 6.424 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@@]45CCc4ccccc45)[nH]c3c2)cc1 586889856 NUGURMOMZAVRQC-HFZDXXHNSA-N 410.473 5.513 0 1 HKAF CCCCc1cc(=O)oc2cc(OCc3nc4c(Cl)cnc(Cl)c4[nH]3)ccc12 586917414 BKGMMAYEGRRDRG-UHFFFAOYSA-N 418.280 5.293 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586986895 GSKPUTVNVOLWRZ-QGZVFWFLSA-N 416.477 5.054 0 1 HKAF FC(F)(F)c1cccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 587018565 HVHFHHMAINOPTK-UHFFFAOYSA-N 417.412 5.067 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2nc(-c3ccc(-c4nccs4)s3)[nH]c2c1 587024090 VDPDSRVPBPNEFN-UHFFFAOYSA-N 419.375 6.453 0 1 HKAF c1ccc(COc2cccc3nc([C@H]4CS[C@@H](Cc5ccccc5)N4)[nH]c23)cc1 587042036 RPXWLZFAPBZFBU-IRLDBZIGSA-N 401.535 5.088 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(C[C@H](N)c4ccccc4Cl)[nH]c3c2)cc1 587055360 BBBQBFVLGCEMEA-IBGZPJMESA-N 421.884 5.038 0 1 HKAF Cc1onc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)c1COc1ccccc1Cl 587063783 XBGOCWCPIVFWRX-UHFFFAOYSA-N 409.660 5.461 0 1 HKAF COc1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 587064463 TUIFMPNTEYEEFP-UHFFFAOYSA-N 417.896 5.926 0 1 HKAF FC(F)C(F)(F)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587089313 QHHJTJCDJYTSDY-UHFFFAOYSA-N 403.173 5.261 0 1 HKAF FC(F)(F)Oc1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587125341 PKVZRUHZPTURKU-BAQGIRSFSA-N 404.335 6.244 0 1 HKAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc(SC)cc3[nH]2)c1 587148095 ZPKSXFDMTPERMM-UHFFFAOYSA-N 408.454 5.465 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@H]4C[C@H]4c4cccc(F)c4F)[nH]c3c2)cc1 587153006 UQOGUUNCYOESBE-ROUUACIJSA-N 420.415 5.691 0 1 HKAF CC1(C)COC2(C[C@@H]3c4c(nc5cccc6c5c4-c4ccccc4C6=O)C[C@@H]3C2)OC1 587209877 VZTWASCLIWVVLJ-BEFAXECRSA-N 411.501 5.265 0 1 HKAF COC(=O)Nc1ccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cn1 587244369 DFCXROYNZQUEPG-UHFFFAOYSA-N 401.451 5.080 0 1 HKAF C[C@]1(c2ccc(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330441 HSANPDKASVFLJP-XMSQKQJNSA-N 402.343 5.223 0 1 HKAF C[C@]1(c2oc3ccccc3c2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335223 KTOLMCMVYOIUID-RDPSFJRHSA-N 403.409 5.134 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H](Cc3ccccc3)C2)[C@H]1c1ccc(F)cc1 587351014 IZQXZIOOAGEJCN-BYGVMDBSSA-N 416.492 6.062 0 1 HKAF CC(C)(C)[C@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352071 IETPXQSLFFEIOD-RPLLCQBOSA-N 418.508 6.308 0 1 HKAF CCCc1ccc([C@@]2(CC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587353701 LPAKUEKSQIHTTD-AZGAKELHSA-N 404.481 6.148 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3cc(C)ccc3C)nc3c(C)cccn13)O2 587393779 MEOYQRSSRRILBI-QFIPXVFZSA-N 411.505 5.524 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccc(F)c(F)c4)cc1)[C@@H](C2)C3=O 587426695 PFUZXYZLRQLJAM-MHECFPHRSA-N 408.400 5.041 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(C)cc(CN4CCCC[C@@H]4C)c1C)[C@@H](C2)C3=O 587434567 ARVAMANDXKNJAV-AWCXEYNZSA-N 405.538 5.175 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(C)cc(CN4CCC[C@H](C)C4)c1C)[C@@H](C2)C3=O 587435215 DLWVLULVBBXWDD-CGLDCDAWSA-N 405.538 5.033 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)CN(C(=O)OC(C)(C)C)C3)CC2=O 587479097 AYWBOPQWKCVACZ-QFIPXVFZSA-N 423.509 5.302 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC12CCC2 587518365 GRBNVNWTBMAEAP-VWLOTQADSA-N 411.542 5.223 0 1 HKAF CN(C)C(=O)Sc1ccc2c(c1)CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587531728 IYGRXXWYDDTBJL-VWLOTQADSA-N 421.562 5.536 0 1 HKAF CCOc1ccc(Cl)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544038 DGRVNTZENXERSZ-NZQKXSOJSA-N 410.853 5.321 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1cccc(Cl)c1 587546139 IKYPKCVJUMUKIZ-CVDCTZTESA-N 418.836 5.139 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cc(F)c(Cl)c1F 587553432 AYFOUXVIQIYBAM-QRWLVFNGSA-N 406.743 5.166 0 1 HKAF CC(C)(C)[C@@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599965 JMDIAHRQQQAPQX-GJZUVCINSA-N 402.490 5.772 0 1 HKAF COc1ccc2occ([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 587616866 NAMBAGAAOZDEGK-URXFXBBRSA-N 402.402 5.024 0 1 HKAF CCOC(=O)c1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2ccc(F)c(Cl)c12 587631719 JPYKXGYFFGACMO-LBPRGKRZSA-N 424.900 5.252 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Br 587681050 WAPUOMCQSHACJU-QGHHPUGFSA-N 413.128 5.283 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccccc3)[nH]c2Cl)N1 587701962 WYUNLBDLQREZPT-QLJPJBMISA-N 420.713 5.255 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(F)(F)F)c2Cl)N1 587712865 RDGVXMBNNBCPKB-VPTHRUTESA-N 422.647 5.884 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(SC(F)F)cc2)N1 587716620 JTKKXBPUZZLTLN-XTZNXHDOSA-N 416.306 5.701 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCSc3cc(F)c(F)cc32)N1 587730506 JCTGDTAXFYKQRG-NIVTXAMTSA-N 414.290 5.140 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3c(F)cnc(Br)c3[nH]2)c1 587780707 YZBPRPAUDSHWMT-UHFFFAOYSA-N 412.262 5.592 0 1 HKAF Cc1cccc(-c2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 587820080 OPAMTGKNFQUTNB-WNSKOXEYSA-N 410.330 6.187 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H]2CCCCC2=O)N1 587824764 YJNVXDYARUFWGC-UZSYQUHHSA-N 416.334 5.125 0 1 HKAF CCCC[C@]1(CCCCC(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 587832697 ZZVDKXOSZUNAMO-BFUOFWGJSA-N 400.332 5.153 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccs2)N1 587854269 SLVSFHCYKUFZGS-RNODOKPDSA-N 402.332 5.476 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1ccccc1C 587860128 PFHHAOJRNAKEPH-UHFFFAOYSA-N 406.338 5.809 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1cccc2cccnc12 587872420 LHUGENKYSSURDP-UHFFFAOYSA-N 407.470 5.069 0 1 HKAF Fc1ccc(-c2cc(C(F)(F)F)nc(-n3nc4cc3Oc3ccc(F)cc3-4)n2)cc1 587874304 UGCHESARLWYFJC-UHFFFAOYSA-N 416.309 5.399 0 1 HKAF Cc1ncc(-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)c(N)n1 587922948 JUAKQDMFOKBVTR-UHFFFAOYSA-N 401.470 5.445 0 1 HKAF Fc1ccc([C@@H](c2ccccc2)[C@@H]2c3ccsc3CCN2Cc2ccco2)cc1 962709930 KNRRLFDANBFPDT-RPBOFIJWSA-N 403.522 6.412 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cc2cc(C(F)(F)F)ccc2s1 963635403 MNKZKYHZAYZYLG-PRWKNARSSA-N 407.457 5.561 0 1 HKAF Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cc4ccccc4n3C(=N)O)cc2)c1 1772586801 HIQVRUAZLKNDKM-UHFFFAOYSA-N 402.429 5.741 0 1 HKAF Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1ccc(C(C)(C)C)cc1 1772608196 SZNLKLMNVPYZTC-UHFFFAOYSA-N 408.545 6.438 0 1 HKAF Cc1c(C(=O)Nc2ccc3ccccc3n2)nnn1-c1ccccc1-c1ccccc1 1857547795 KEOSFGQTGHANAP-UHFFFAOYSA-N 405.461 5.043 0 1 HKAF Cc1cccc(-c2nc(CNc3ccccc3C)[nH]c2-c2cc3cnccc3s2)n1 1857573513 MAMBYTIDCODOCF-UHFFFAOYSA-N 411.534 5.977 0 1 HKAF CC(C)C1=C(C[C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@@H]1C 2356423036 LTSPMIHIWVJPLS-KIUVTIOBSA-N 412.702 7.635 0 1 HKAF CC=C(C)C(=O)OC[C@@H]1[C@H](O)CC[C@@H]2[C@](C)(CCc3ccoc3)C(C)=CC[C@]21C 2356501513 CPPNOLWNGNZSPV-ZHVUWXLNSA-N 400.559 5.471 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 2356542666 ZMYWGDOERFHVLQ-SBPVGGQCSA-N 416.646 5.250 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@](C)(CC[C@H](C)CC(=O)O)[C@@H]2CCC[C@@](C)(O)[C@@]21C 2356604978 MQPZZRJJCAGMTC-KUYSSRPPSA-N 422.606 5.359 0 1 HKAF Cc1c(COc2ccccc2)oc2cccc(OCCCNCc3cccnc3)c12 13438493 XRSZBEBZIUYDQX-UHFFFAOYSA-N 402.494 5.274 0 1 HKAF O=c1cc(-c2cccs2)oc2ccc(OCCCCCCN3CCCCC3)cc12 13454482 ASAIZTYPKBAHRO-UHFFFAOYSA-N 411.567 5.947 0 1 HKAF Cc1ccc(NC(=O)Nc2cccc(NC(=O)Nc3ccc(C)cc3C)c2)c(C)c1 13493776 DWBRZVRBQYYJFR-UHFFFAOYSA-N 402.498 6.208 0 1 HKAF COc1ccc(-c2cc(OCCCC[C@H](C)C(=O)O)nc(-c3ccccc3)c2)cc1 13729720 OIWIQQWJAXHKCY-SFHVURJKSA-N 405.494 5.694 0 1 HKAF CCCCCCc1cccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)c1 14979918 NVJFYDZVXWUPCQ-UHFFFAOYSA-N 418.581 7.235 0 1 HKAF O=C1C[C@](CCc2ccccc2)(c2ccccc2)OC(=O)[C@@H]1SCc1ccccc1 18038220 PXJUAFZQGCGBFK-AOYPEHQESA-N 416.542 5.333 0 1 HKAF CN(C)C(=O)Oc1ccc2c(-c3ccccc3F)c(Cc3ccccc3)c(=O)oc2c1 26484887 PALBUNUNQQMNCJ-UHFFFAOYSA-N 417.436 5.250 0 1 HKAF C(=C/c1cccc(-c2nnn[nH]2)c1)\c1cccc(OCc2ccc3ccccc3n2)c1 28218635 UCBSPMZAFYGFLP-VAWYXSNFSA-N 405.461 5.164 0 1 HKAF CCN(CC)CCC[C@H](C)Nc1ccnc(OCc2ccc(Cl)cc2Cl)n1 28521254 FIEYDSBFYWCKJU-HNNXBMFYSA-N 411.377 5.285 0 1 HKAF CC/C(=C/c1ccccc1OC)c1cc(-c2ccccc2)cc2oc3ccccc3c12 36383123 AWIWSIFUKWMBKM-JZJYNLBNSA-N 404.509 8.212 0 1 HKAF CN(C)C(=O)Nc1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)cs1 38334170 WZXRKJUHIFYORJ-UHFFFAOYSA-N 407.417 5.469 0 1 HKAF COC(=O)[C@@H](Oc1cccc(Cl)c1)c1ccc(Oc2ccc(Cl)cc2)cc1 39242697 LQOMQBBMSHQSCP-FQEVSTJZSA-N 403.261 6.079 0 1 HKAF Fc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3cccc(C(F)(F)F)c3)n2)cc1 40405410 LXOVAVCSRGJJCE-UHFFFAOYSA-N 400.350 6.503 0 1 HKAF CCCC[C@@H](Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)O 40866788 NTRIATJKIWCACK-OAHLLOKOSA-N 402.907 5.157 0 1 HKAF CC(C)c1cc2c(cc1OCc1ccccc1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2 40953993 XQNFKAZGTKCGOF-ZRJLEYOISA-N 406.566 6.484 0 1 HKAF CSC1=NC(C)(C)C[C@]2(C[C@@H](c3ccc(C)cc3)c3cc(Cl)c(O)cc3O2)N1 45300434 YCTHDYRROCDDSR-KSFYIVLOSA-N 416.974 5.456 0 1 HKAF COc1ccc(F)cc1-c1noc(-c2ccc(-c3ccccc3C)c(CN(C)C)c2)n1 59226493 FWBFQSDSXGVMFX-UHFFFAOYSA-N 417.484 5.588 0 1 HKAF COc1cc(-c2ccc(O)c(CC=C(C)C)c2)c(OC)c(O)c1-c1ccc(O)cc1 72176111 IWVBXHCTGZHCPU-UHFFFAOYSA-N 406.478 5.663 0 1 HKAF biogenic,in-vitro CCN(Cc1coc(-c2cccc3ccccc23)n1)[C@@H]1CCN(Cc2ccccc2)C1 72182243 HDFXKMBLYYDZEX-XMMPIXPASA-N 411.549 5.591 0 1 HKAF COc1ccc(Oc2cncc(NC[C@]3(C)C[C@H](O)CC(C)(C)C3)n2)c2ccccc12 82068889 WAZNSSOJHBBVKK-CRICUBBOSA-N 421.541 5.420 0 1 HKAF Cc1ccc(CNc2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccccc3F)n2)o1 82150429 CHRYSJGPHALMJM-BTYIYWSLSA-N 422.504 5.105 0 1 HKAF CCN(C)C(=O)c1cnc(NC2CCCC2)nc1-c1ccc(-c2ccccc2)cc1 82154189 WYQUKRWZKCLBEV-UHFFFAOYSA-N 400.526 5.257 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccccc2)nc2c(NCCc3ccccc3F)ncnc21 82180572 NBDCBQHRXNMSRR-QGZVFWFLSA-N 403.505 5.333 0 1 HKAF CC[C@H](C)Cn1c(C2CC2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 82189480 DFZOMXDZLRVQGY-ZDUSSCGKSA-N 418.372 5.711 0 1 HKAF O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1Nc1cccc(C(F)(F)F)c1 111924625 MUBIWXJCJXOQDA-UHFFFAOYSA-N 424.344 6.720 0 1 HKAF CC(C)c1nc2c(c3c1[C@@H](c1ccc(F)cc1)OC31CCCC1)[C@@H](O)CC(C)(C)C2 114344217 MGZRKTHBXBMEIG-YADARESESA-N 409.545 6.239 0 1 HKAF CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccc(-c2ccccc2)c1 299858222 DKPUWBKCQBMPNH-DOEKTCAHSA-N 412.577 5.864 0 1 HKAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586962061 AXDMRXOQUVOAGW-GFCCVEGCSA-N 402.829 5.283 0 1 HKAF Clc1ccc(OCc2nc3c(Cl)cnc(Cl)c3[nH]2)c(Br)c1 586977966 UAJODLBIHIJHEP-UHFFFAOYSA-N 407.482 5.260 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2cc(C)c(F)cc2[nH]1 586982164 SZEXMKBNWAPOIF-UHFFFAOYSA-N 405.311 6.399 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(Br)ncc4F)nc13)-c1ccccc1C2=O 586996506 OAWRLQJCDPNRQD-UHFFFAOYSA-N 419.253 5.718 0 1 HKAF CCCn1cnc2cc(-c3nc4cccc(C(F)(F)F)c4[nH]3)cc(Br)c21 587004377 RRIDPRYRBHHZOG-UHFFFAOYSA-N 423.236 5.771 0 1 HKAF FC(F)(F)Oc1cc(Br)c2[nH]c([C@@H]3Cc4ccccc4S3)nc2c1 587043575 SAJNIGQWPWSCHF-ZDUSSCGKSA-N 415.234 5.614 0 1 HKAF Clc1ccc(CC2(c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)CC2)cc1 587074769 YBNXSKHXIYQIOV-UHFFFAOYSA-N 415.949 6.767 0 1 HKAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cccc(Br)c3[nH]2)c1 587092318 CVRUWUAIQVDUKX-UHFFFAOYSA-N 409.127 6.030 0 1 HKAF Cc1c(Cl)cccc1NC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104939 YZZLISCUXWSEBN-UHFFFAOYSA-N 412.876 5.589 0 1 HKAF O=C1COc2cc3[nH]c(-c4cccc(CSc5cc(F)ccc5F)c4)nc3cc2N1 587141112 LNHPHPSRBXWLRT-UHFFFAOYSA-N 423.444 5.131 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc5ccccc5cc4[nH]3)cc2F)c1 587143425 ROXXQGVKNIMYST-UHFFFAOYSA-N 402.856 6.851 0 1 HKAF Fc1ccc2c(c1)C[C@@H](c1nc3ccc(Br)c(C(F)(F)F)c3[nH]1)O2 587174692 RGROUQSBXFOYGA-LBPRGKRZSA-N 401.157 5.160 0 1 HKAF Cc1nc(-c2ccncc2)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208545 UGSJBDYQWWWNLU-UHFFFAOYSA-N 405.482 5.940 0 1 HKAF C[C@]1(c2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329722 ZARXUYQDIJMWOQ-IFMALSPDSA-N 417.263 6.112 0 1 HKAF C[C@]1(Cc2ccc(F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336206 PRAMKGZSTGBZRJ-FYYLOGMGSA-N 414.835 5.684 0 1 HKAF Cc1ccc(Cl)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1F 587337341 VIMSTKDTYQWODE-CVDCTZTESA-N 414.835 5.907 0 1 HKAF CCC[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349998 WMIPVCSKNWLYPL-AHWVRZQESA-N 415.464 6.067 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Oc3cccc(C(F)(F)F)c3)c1)O2 587382031 MOJISLPLZVYAOR-OAQYLSRUSA-N 413.395 6.095 0 1 HKAF Cn1c(C[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)nc2ccccc21 587514646 HUSVMCWLOWPTKF-NDEPHWFRSA-N 422.528 5.556 0 1 HKAF C[S@](=O)c1ccccc1-c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587532077 KRVHISPPAUCDIG-NGQVCNFZSA-N 416.542 5.676 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1Cl)C1CCCC1 587547831 NPEBRRKFLIFOIW-RCZVLFRGSA-N 420.892 6.093 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1c2[nH]c2ccc(Cl)cc12 587552101 NMUDKBMFAGDXAR-GBXCKJPGSA-N 417.848 5.330 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 587552105 NMXYWEDPWWZKIQ-QPPBQGQZSA-N 418.832 6.009 0 1 HKAF C[C@]1(c2c(Cl)[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553241 UPINJRPYCYWHRJ-WMZHIEFXSA-N 405.837 5.404 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(COc4ccc(C)cc4OC)[nH]c3c2)cc1 587564444 ROMMUFCBVTYKKA-UHFFFAOYSA-N 418.449 5.038 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccco1)c1c[nH]c2ccccc12 587586714 DBUQLHSWYWKJLK-JYFHCDHNSA-N 423.424 5.372 0 1 HKAF Cc1ccccc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587600899 DALPCRSOKVOMBV-IGKIAQTJSA-N 408.453 6.071 0 1 HKAF Cc1cccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587602872 LNGHUABXVZNHNR-SHQCIBLASA-N 408.453 5.606 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2ccc(O)cc2)c1 587613339 YOVQSFYZTRDXGQ-ZEQKJWHPSA-N 410.425 5.468 0 1 HKAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1cccc(Br)c1 587620490 CXMGEQZPYZQTGV-UHFFFAOYSA-N 405.093 5.545 0 1 HKAF CCOC(=O)C(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2cc(Cl)c(F)cc12 587628010 FJUMJFRFBRVPMB-UHFFFAOYSA-N 414.647 5.680 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2c(Cl)cccc2Cl)N1 587691100 BWIYVSQZHFEJAP-YPMLDQLKSA-N 417.149 6.103 0 1 HKAF Cc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587709739 NUASDFTVEJSSQZ-VXJOIVPMSA-N 408.258 5.298 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(Cl)ccc2C(F)(F)F)N1 587709864 CTSVYBZVOKZSEU-NZFNHWASSA-N 423.635 5.279 0 1 HKAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)c1 587713634 TYRMVUMOFOZFTD-HUTHGQBESA-N 418.228 5.239 0 1 HKAF Cc1cc(OC(F)(F)F)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587715353 BPBMBOBHDQKSER-QGHHPUGFSA-N 418.228 5.419 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Cl)c2F)(C2CC2)N1 587725982 HCRBXBJKHNXWOL-GIGQVBGESA-N 412.705 5.569 0 1 HKAF CC(C)[C@@]1(CC(=O)Nc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587745096 UQBFLQWHBXVFEH-LHSJRXKWSA-N 419.338 5.003 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC2CCCCC2)(c2ncccn2)N1 587775841 UHNGTEJOQBIRGH-SPLOXXLWSA-N 418.354 5.126 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccccc2)N1 587811047 MLGQTEBLTZCODD-FPTDNZKUSA-N 412.302 6.004 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2sc(C(C)(C)C)cc2N)N1 587842437 DVRBKGKRPZCCOX-OVWNDWIMSA-N 411.384 5.327 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CN3CCCCC3)s2)N1 587848932 QAVBSEPSRRWQDY-XCLFUZPHSA-N 423.395 5.259 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(C(C)(C)C)cc1 587865231 XVIOKWDKCGXKBI-UHFFFAOYSA-N 416.443 5.954 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccn2-c2ccc(Br)cc2)N1 962958313 PPUQYOUPJLFPOO-WAIKUNEKSA-N 420.354 5.735 0 1 HKAF CC[C@]1(c2ccc3ccccc3c2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962966819 ANUDYRNCPWGLBO-PGRDOPGGSA-N 401.840 5.024 0 1 HKAF C[C@]1(c2c(F)c(F)c(F)c(F)c2F)c2ccsc2CCN1Cc1cccnc1 962998844 WJXVXMRGLKMIMT-HXUWFJFHSA-N 410.411 5.160 0 1 HKAF Fc1cccc2c1[C@@H](c1cccnc1Sc1ccc(Cl)cc1)N1CCC[C@@H]1C2 963119904 ZYUFWXPYEPLWIJ-VGOFRKELSA-N 410.945 6.135 0 1 HKAF Clc1ccccc1CN1CCC(CNCc2cccc(-c3ccccc3)c2)CC1 1857540893 XBEBHNXBLIDZDS-UHFFFAOYSA-N 404.985 6.009 0 1 HKAF Cc1nc(CSc2nc(N)c3c4c(sc3n2)C[C@@H](C(C)(C)C)CC4)sc1C 1857632000 QGZXQUYPEZSKLB-LBPRGKRZSA-N 418.657 5.790 0 1 HKAF Nc1onc2nc(-c3ccccc3)cc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12 1857767653 MOJBQCRWQSOQNS-UHFFFAOYSA-N 421.460 5.783 0 1 HKAF C[S@@](=O)c1ccc(-c2nc3ccc(Cl)cc3nc2-c2ccc(Cl)cc2)cc1 1857768456 PQNQYTJDHKOWPM-HHHXNRCGSA-N 413.329 6.008 0 1 HKAF CC=C(C)[C@H](O)[C@@H](C)C=C(C)CC=CC(C)=CCc1nc(OC)c(OC)c(O)c1C 2356428145 ZQLBCAUKNYXILZ-UGKGYDQZSA-N 415.574 5.457 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 2356487858 OQMZNAMGEHIHNN-YXRWVICHSA-N 410.686 7.721 0 1 HKAF CC(C)CC(=O)C[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356622778 MFRSYEFNIGJEOG-DSBUNHOUSA-N 418.662 5.618 0 1 HKAF CC(=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@@H]3CC[C@]12C)[C@@H](C)C(C)C 2356656723 XHBUOPUSZGNMDC-ZAOMWHKLSA-N 400.691 7.491 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)ccc2c1OC[C@@H]1c3cc4c(cc3O[C@H]21)OCO4 2356752724 MNVKKIZBXXYHDP-FQRUVTKNSA-N 420.505 5.966 0 1 HKAF O=C(c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2)N1CCCC1 3040806 NKFKDQCQWUTHJC-UHFFFAOYSA-N 414.530 5.234 0 3 HKAF COc1ccccc1CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccoc1 774845 ZZSUUUZGPJEMOU-UHFFFAOYSA-N 408.841 5.194 0 1 HKAF CCCN(c1ncc(C)c(-c2ccc(Br)cc2)n1)C(C1CC1)C1CC1 2001899 WDUGITGEMFNIMX-UHFFFAOYSA-N 400.364 5.620 0 1 HKAF CC[C@H](/C=C/[C@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 13551252 JZVFJDZBLUFKCA-GQUMXWHRSA-N 412.702 7.801 0 1 HKAF Cc1ccc(-c2ccc(C(=O)O)cc2)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C 28760647 CCGXUTGFPUFBMA-UHFFFAOYSA-N 412.573 7.685 0 1 HKAF C=Cc1ccc2c(c1)nc(Cn1c(=O)n(C(C)C)c3ccccc31)n2CCC(C)C 28952182 QOXKMRFWRPBJNM-UHFFFAOYSA-N 402.542 5.471 0 1 HKAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ccccc2[nH]1)C(F)(F)F 34270766 HINCRROTVFUICG-NRFANRHFSA-N 409.423 5.519 0 1 HKAF Cc1nc2cc(-c3ccccc3Cl)nn2c(-c2ccc(Cl)cc2Cl)c1CN 38268698 UJJPXBKJLGYILX-UHFFFAOYSA-N 417.727 5.791 0 1 HKAF CCN(CCCN1CCCCC1)c1cc(C)nc(Nc2ccc(C)cc2Cl)n1 45202565 CFGOTSKGKGJDAP-UHFFFAOYSA-N 401.986 5.193 0 1 HKAF CN(C)Cc1nc(O)c2sc3ccc(-c4cc(Cl)cc(Cl)c4)cc3c2n1 45290751 VBYJPHHGLQMMJE-UHFFFAOYSA-N 404.322 5.586 0 1 HKAF Nc1ncc(-c2ccsc2)c2ccc(-c3cc(NCc4ccccc4)ncn3)cc12 45323612 IDBNKDROGMPEFQ-UHFFFAOYSA-N 409.518 5.615 0 1 HKAF COc1ccc(/C(=C(/C)c2cc(OC)c(OC)c(OC)c2)c2ccccc2)cc1O 45358447 VFJNTAIAKQWDKI-JLPGSUDCSA-N 406.478 5.406 0 1 HKAF CC(C)c1ccc(CNC[C@H]2CCC[C@@H](CNCc3ccc(C(C)C)cc3)C2)cc1 45358698 ZTGFDUNVXFZGCA-WMPKNSHKSA-N 406.658 6.619 0 1 HKAF O=C(COc1ccc(Cl)cc1)N1CCCn2cccc2[C@H]1c1ccc(Cl)cc1 45384676 YWPBEWHYQIFILT-JOCHJYFZSA-N 415.320 5.196 0 1 HKAF CCc1nc(Nc2cccc3c2C[C@@H](O)CC3)oc1-c1ccc(C(F)(F)F)cc1 53313129 MKRYQIRCHQRSKG-INIZCTEOSA-N 402.416 5.516 0 1 HKAF COc1ccc2c(Oc3ccc4ccc(=O)oc4c3CCC(C)C)cc(=O)oc2c1 64549708 XXFLPHUTAQZMBT-UHFFFAOYSA-N 406.434 5.289 0 1 HKAF CNC(=O)c1cc(Oc2ccc3oc(Nc4cccc(C(C)(C)C)c4)nc3c2)ccn1 71340547 RYHZIAYZFQPDIY-UHFFFAOYSA-N 416.481 5.416 0 1 HKAF CC(C)N(C(=O)c1cccc([C@](O)(c2ccc(Cl)cc2)c2cccnc2)c1)C(C)C 72103094 YAWUKDHKDLAMEH-RUZDIDTESA-N 422.956 5.278 0 1 HKAF C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)Cc3ccccc3)cc2)cc1 73224230 VIOOAFIHOMAEBH-OAQYLSRUSA-N 419.590 5.354 0 1 HKAF CCCCCc1nc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccccc2)oc1C 82162987 ZTRAPXGJPCQFCL-RTBURBONSA-N 418.585 6.322 0 1 HKAF CCCCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCC(C)C)ncnc21 82177881 WDTJXTYCMNHUFW-UHFFFAOYSA-N 421.467 5.650 0 1 HKAF Oc1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1 84758792 JAMOJAWCNGJKHW-WYMJOSIYSA-N 402.582 5.473 0 1 HKAF COc1ccc(Cc2cc([C@H]3[C@@H](c4ccc(C)cc4)C[C@H]4CC[C@H]3N4C)on2)cc1 101166536 YNBPFDTUMKTMGE-APJZGJRSSA-N 402.538 5.316 0 1 HKAF O=C(O)C[C@H]1CC[C@H](c2ccc(C(=O)Nc3nnc(C4CCCC4)s3)cc2)CC1 101501648 KCEASNAUKFPYSH-GASCZTMLSA-N 413.543 5.197 0 1 HKAF CC(=O)c1ccc(-c2cc(C(=O)O)cc3cc(OCc4c(C)cccc4C)ccc23)cc1 144535071 UIXKFBWGTOEIRG-UHFFFAOYSA-N 424.496 6.603 0 1 HKAF CC(C)CCC[C@@H](C)CCC[C@H](C)CCOC[C@@]1(C)CCc2cc(O)c(F)cc2O1 169294550 JELMBHCKEXSVGQ-YZIHRLCOSA-N 422.625 7.291 0 1 HKAF CN(CCCN1CCC(c2ccccc2)(c2ccccc2)CC1)c1cccc(O)c1 169339959 AFDSSVNGSLDLQA-UHFFFAOYSA-N 400.566 5.301 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]45C[C@H](O)CC[C@]4(C5)C3=CC[C@]12C 255287115 ZIHOVBDAEZEART-ARWQFKHXSA-N 412.702 7.779 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CCC2=C3CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 257553844 UIPYFONRKZTOIY-QYGDJNMOSA-N 400.691 7.779 0 1 HKAF endogenous,in-man FC(F)(F)c1cc(Cl)c2[nH]c(-c3cc(Br)ccc3Cl)nc2c1 586980140 KYOWNJDNXKLMED-UHFFFAOYSA-N 410.020 6.318 0 1 HKAF Cc1ccc2c3c(cc(CCc4cccc(C(F)(F)F)c4)nc13)-c1ccccc1C2=O 586992683 ISPNMVXDSDDXPI-UHFFFAOYSA-N 417.430 6.559 0 1 HKAF Cc1ccc2c3c(cc(-c4c(Cl)ccc(F)c4Cl)nc13)-c1ccccc1C2=O 586994640 ADCJNMJWUBGXDH-UHFFFAOYSA-N 408.259 6.868 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(C(C)(C)Oc3ccc(Br)cc3)nc2c1 586997442 XGRZRLUYYAVZKA-UHFFFAOYSA-N 423.694 5.080 0 1 HKAF Cc1c(Br)cc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1C 587005204 CEKAGKFCJGQWFT-UHFFFAOYSA-N 415.516 5.420 0 1 HKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c2)cc1 587067598 GVDJRNJHNSCEMI-UHFFFAOYSA-N 403.791 5.456 0 1 HKAF O=C(O)c1cc(F)cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587069183 HEZUHNYQJGWRGR-SFQUDFHCSA-N 420.871 6.227 0 1 HKAF Cc1ccc(-c2cc(-c3nc4cc(Cl)c(F)cc4[nH]3)c3cccc(Cl)c3n2)o1 587082670 AQCXGWSRELFXKM-UHFFFAOYSA-N 412.251 6.792 0 1 HKAF CCCCCC[C@H](C(=O)OCC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096707 GOFYLLBHBOEUAQ-FQEVSTJZSA-N 415.533 6.372 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]3c1cccc(Br)c1 587102118 QWIKDSHFFNDAIL-SFHVURJKSA-N 412.286 5.897 0 1 HKAF O=C(CSCc1nc2ccc3c(c2[nH]1)CCCC3)Nc1ccc(C(F)(F)F)cc1 587112725 BXOSDNULBJPOEI-UHFFFAOYSA-N 419.472 5.332 0 1 HKAF O=NCc1ccc(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)cc1 587189584 CCQVVVHYAZKMFT-UHFFFAOYSA-N 422.282 5.838 0 1 HKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3c(C)c(Br)cnc3[nH]2)c1 587238454 JTJARJBXSDUUDU-UHFFFAOYSA-N 422.330 5.638 0 1 HKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 587242309 PZBGYWKVCAZCON-UHFFFAOYSA-N 422.273 5.645 0 1 HKAF N[C@@H](Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1cccc2ccccc12 587258965 OAPJTRMSNBXLFV-HNNXBMFYSA-N 405.807 5.511 0 1 HKAF COc1ccc(CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587347003 DIKWRMUYZDFHFI-NOZRDPDXSA-N 406.453 5.290 0 1 HKAF O=Cc1cccc([C@@]2(C3CCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587352939 KIEIAPHYJHIXPM-AZGAKELHSA-N 416.448 5.398 0 1 HKAF Cc1cc2c(cc1C)[C@]1(CCS2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587376952 ZFUAKTRCSKOVRJ-NOZRDPDXSA-N 420.505 5.898 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3ccc(F)cc3Cl)cc1)O2 587385716 PKRYSXGVDWQGEV-QFIPXVFZSA-N 411.860 5.655 0 1 HKAF Cc1ccc([C@@]2([C@H](C)Oc3ccc(C=O)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587398909 GKZIXKQOFUFWPE-QYBDOPJKSA-N 415.489 5.026 0 1 HKAF COc1cc2c3c(c1)OC(c1ccccc1Cl)(c1ccccc1Cl)[C@@H](C2)C3=O 587421643 VZLOLOFTRNLJHS-KRWDZBQOSA-N 411.284 5.693 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(COc4cccc(Cl)c4C)o1)[C@@H](C2)C3=O 587422590 QTNZZXBAGWUGJU-QMHKHESXSA-N 410.853 5.318 0 1 HKAF CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)cc1OC(C)C 587423774 VZQOYFNSCJNUNC-IVZQSRNASA-N 402.874 5.023 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1cccc(C)c1)[C@@H](C2)C3=O 587431284 JNMSMVFPFOIUMY-KDYSTLNUSA-N 422.484 5.345 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(Cc3ccc(C)cc3)c1Cl)CC2=O 587459647 FDWXKJGHXNKYEU-OAQYLSRUSA-N 424.928 5.566 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(C=C(C(F)(F)F)Oc3cc(OC)ccc31)CC2=O 587464173 KJGXOUKQXWPLFZ-OAQYLSRUSA-N 420.383 5.053 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3c(cc1C)C(C)(C)CCC3(C)C)CC2=O 587478426 GDSMXAWRPKBSFQ-XMMPIXPASA-N 406.566 6.709 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)Oc1ccc(-c3ccccc3)cc1)CC2=O 587480695 GCDSJZHIJJXDBY-CLYVBNDRSA-N 416.517 6.203 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccccc3C)nc3ccccn13)CC2=O 587492064 WJUNDUDFDFZMIA-JOCHJYFZSA-N 412.489 5.674 0 1 HKAF CC[C@@]1(c2cc(Br)c(C)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587530255 DLVZXBGLUWUXAI-FQEVSTJZSA-N 405.357 5.969 0 1 HKAF C[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551156 XWPUTCNHSADRBN-GHTZIAJQSA-N 400.352 5.288 0 1 HKAF Cc1cccc(-n2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1C 587574476 BDGYBSSVHWMPHC-ZEQKJWHPSA-N 411.457 5.503 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)[C@@]1(CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587999 IYCCDPIJCMKUKP-JYFHCDHNSA-N 411.457 5.375 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccsc2)s1 587609745 DEHJCCUKGCTUMB-DENIHFKCSA-N 406.484 5.885 0 1 HKAF Cc1ccc(-c2cnc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)c(C)c1 587772138 DOTGADFSJNPRDJ-RNODOKPDSA-N 415.306 5.484 0 1 HKAF COc1cc2c(cc1[C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)CCCC2 587812025 YHMYUUXNBFZGBB-QKVFXAPYSA-N 404.323 5.099 0 1 HKAF COc1ccc2occ([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587825525 ALNIBBAGZXDUHR-GIPWTMENSA-N 404.279 5.141 0 1 HKAF COc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1SC 587843743 JEBGEIKSKXLZKU-NSPYISDASA-N 410.352 5.116 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SC3CCCCC3)o2)N1 587845003 QATZCQKSEGPUSP-YUNKPMOVSA-N 424.379 6.230 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccn3)s2)N1 587849847 WOSFXFCVHLMSFS-NSPYISDASA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1ccc(C)cc1 587865078 UKJOPHXCIXQVJO-OAHLLOKOSA-N 418.415 5.384 0 1 HKAF CSc1ccc(-c2csc(-c3cccc(CNC(=O)OC(C)(C)C)c3)n2)cc1 587925809 UWFRKGQGSCRCLG-UHFFFAOYSA-N 412.580 6.224 0 1 HKAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)c2)c1 587933249 WFXXKQCZSJZPQH-UHFFFAOYSA-N 422.484 6.190 0 1 HKAF Cc1ccccc1C(C)(C)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587956200 ZVQPAOSGQPBFDI-UHFFFAOYSA-N 401.348 5.995 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(C)c1cc2ccccc2[nH]1 961781311 XEDFXGBCTNDLAP-SANMLTNESA-N 417.553 5.583 0 1 HKAF C[C@H](C(=O)C(F)(F)F)[C@]1(c2ccccc2)c2ccsc2CCN1Cc1ccco1 962706344 LWBDXILEADNDTO-VFNWGFHPSA-N 419.468 5.411 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2cc(Cl)cc(Cl)c2)(C2CCCC2)N1 962943881 DIDKJZSGGHGQOG-YADARESESA-N 413.392 6.833 0 1 HKAF CCCOc1c(Cl)cc([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)cc1OCC 963107115 NRJNVUMGAAJSIF-JTSKRJEESA-N 403.925 5.777 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1cn(-c2ccc(Cl)c(Cl)c2)nn1 963235055 FNKOIGVFNRWBIX-OYHNWAKOSA-N 415.368 5.494 0 1 HKAF Cc1cc(C)c(NC(=O)C[C@@]2(c3ccccc3)NCCc3ccc(O)cc32)c(Cl)c1 963352598 MLUDBQRTXPJMPG-VWLOTQADSA-N 420.940 5.081 0 1 HKAF Nc1cccc([C@H](Cc2cccnc2-c2cccc(C(F)(F)F)c2)c2cccnc2)n1 1772598279 BZBHRKOESFOMRG-HXUWFJFHSA-N 420.438 5.514 0 1 HKAF COc1ccc2[nH]cc(CCNC(=O)c3ccc4c(c3)CC(C)(C)C(C)(C)C4)c2c1 1857561791 MWIRKMROTUEKOB-UHFFFAOYSA-N 404.554 5.300 0 1 HKAF Cc1c(-c2nnc(-c3ccc(Cl)cc3)o2)sc2ncnc(N3CCCCC3)c12 1857641512 MYMHFUQZTKRLKT-UHFFFAOYSA-N 411.918 5.360 0 1 HKAF O[C@@H]1CN2CCCCCCC=CCCC3=C[C@H]4CN5CCCCC=CCC[C@@](C2)([C@@H]14)[C@@H]35 2356611014 GFQQVZDOEWJQSB-DJOAIXOZSA-N 424.673 5.327 0 1 HKAF CN(C)c1ccccc1-c1cc(NC=O)c2ncc(-c3cccc(C(F)(F)F)c3)n2c1 61896796 AYOVCXUSSRJVGE-UHFFFAOYSA-N 424.426 5.321 0 3 HKAF Fc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2Cc2cccc(F)c2)cc1 95567638 MKRFEZWQXLQTHU-UHFFFAOYSA-N 422.784 6.543 0 3 HKAF CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCc2ccccc2)cc1 773735 NLDCHGPGDWOTCD-UHFFFAOYSA-N 416.452 5.476 0 1 HKAF COc1ccc(-c2noc(-c3ccsc3)c2C(=O)NCc2ccccc2F)cc1 774358 OKADCGQMVRLOSJ-UHFFFAOYSA-N 408.454 5.148 0 1 HKAF CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC[C@@H](C)CCC[C@H](C)CCCC(C)C 6920410 PRAKJMSDJKAYCZ-GOGZTAQTSA-N 422.826 11.084 0 1 HKAF O=c1ccc(-c2ccc(Cl)c(Cl)c2)cn1[C@H](CN1CCCC1)c1ccccc1 13436720 KNGWWTVKCJNCAM-JOCHJYFZSA-N 413.348 5.507 0 1 HKAF CC(=O)c1ccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1C 13740873 WKMBYFWOGYETAT-UHFFFAOYSA-N 410.489 5.126 0 1 HKAF FC(F)(F)C1CCN(c2ncccc2NC(=S)Nc2ccc(Cl)cc2)CC1 20230225 KGMBLXDZLFNSLH-UHFFFAOYSA-N 414.884 5.323 0 1 HKAF COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cccc(Cl)c1)C(F)(F)F 28862332 PNAJZOSKCGZBFF-LJQANCHMSA-N 404.831 5.692 0 1 HKAF CCC[C@@H](Nc1cncc(-c2ccc(CN3CCC[C@H]3CO)cc2)n1)c1ccccc1 38334433 LZCXAPVDCCLTBD-BJKOFHAPSA-N 416.569 5.054 0 1 HKAF O=C(O)c1ccccc1Nc1ccc(CCCc2ccc(F)c(C(F)(F)F)c2)cc1 40933351 OVNQFTGDZOTZBR-UHFFFAOYSA-N 417.402 6.462 0 1 HKAF c1ccc(-c2ccc(Cn3cncc3CNc3ccc(-c4ccccc4)cc3)cc2)cc1 40975691 PLRNZLSFWAEDTC-UHFFFAOYSA-N 415.540 6.878 0 1 HKAF O=C(Nc1ccc(O[C@H]2CCN(Cc3ccsc3)C2)c(Cl)c1)c1cccs1 45301593 RSCUJFCXGPTOHL-INIZCTEOSA-N 418.971 5.369 0 1 HKAF CCCCCCNC(=O)Oc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1 45393404 FORDENPUNDZVOS-UHFFFAOYSA-N 409.313 5.914 0 1 HKAF COc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(SC)cc3)C2)cc1OC 49070584 RFFUREJWKADMTI-QFIPXVFZSA-N 404.535 5.781 0 1 HKAF CN(Cc1ccc(F)cc1)[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)N(C)C1 58546788 LYUZMHHNZPYBFH-UIOOFZCWSA-N 402.557 5.552 0 1 HKAF O[C@H](CNCCc1ccccc1)CN1c2ccccc2Sc2ccc(Cl)cc21 73225049 RGNGAHRYCKRXAC-LJQANCHMSA-N 410.970 5.136 0 1 HKAF CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(F)cc2)cs1 82193538 KMMJOGQBODTITA-UZLBHIALSA-N 403.567 5.251 0 1 HKAF Cc1ncccc1CN1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)C2=O 96286149 FFJKQAMKNQRZOD-UHFFFAOYSA-N 411.549 5.076 0 1 HKAF Cn1c(S(=O)(=O)[C@@H](F)c2ccc(F)cc2)nc(-c2ccccc2)c1-c1ccccc1 96914889 BQXNVVKJSSHWSU-JOCHJYFZSA-N 424.472 5.335 0 1 HKAF N=C(NCCCCc1ccc(C(F)(F)F)cc1)SCCCN1CCCCC1 96939841 RLQSEYDCCHGXGP-UHFFFAOYSA-N 401.542 5.162 0 1 HKAF CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(SC)cc3)cc2)c1Cl 103184433 ZRSRCWCQMPUBRE-UHFFFAOYSA-N 415.946 5.080 0 1 HKAF CCc1ccc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC(C)=C2C(=O)OC)cc1 103898605 JYOGBVNHEZXUGV-GBXCKJPGSA-N 401.506 5.624 0 1 HKAF CCC(=O)Nc1cccc(Nc2cc(Nc3cccc(Br)c3)ncn2)c1 114405856 XPXQVLFZWXRRHM-UHFFFAOYSA-N 412.291 5.075 0 1 HKAF CC(C)[C@@H](C)/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118933550 PRKPDIRLXGMLSU-YBUACIHVSA-N 400.691 7.491 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)ccc([C@@H]2COc3cc(O)cc(O)c3C2=O)c1O 142980017 APRUHIYSPZMKAG-QEXPOGAPSA-N 424.493 5.103 0 1 HKAF C[C@@H](C(=O)O)c1ccc(-c2cccc(OC(=O)NCCc3ccccc3)c2)c(F)c1 143625518 GGTYUDFGNUVYIL-MRXNPFEDSA-N 407.441 5.012 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C\C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C 199535673 PKFBWEUIKKCWEW-RXSVZSMJSA-N 404.635 5.539 0 1 HKAF in-vitro COc1cccc(OC)c1-c1cc(Cl)cc([C@H](CC(=O)O)c2ncc(C)s2)c1 219417579 JSGKDCBYKMYMOY-INIZCTEOSA-N 417.914 5.396 0 1 HKAF C[C@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 255212565 GMBQZIIUCVWOCD-UNOCWSEYSA-N 416.646 5.794 0 1 HKAF CCCCCCN1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@H](O)C[C@H]1c1ccccc1 299811089 VZAAKSNVIDZHKA-CCDWMCETSA-N 422.548 5.014 0 1 HKAF CCCC[C@@H](OC(C)=O)c1ccccc1C(=O)Oc1cc(C)nn1-c1ccc(F)cc1 474603663 CUIMOBFQBZQYMB-JOCHJYFZSA-N 424.472 5.333 0 1 HKAF Cc1cc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3)nc2cc1Br 586878363 FTJWGLDCJMDEJO-UHFFFAOYSA-N 421.294 5.974 0 1 HKAF CCCCC1CCC(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CC1 586889544 MANMUJHKNDTZJU-UHFFFAOYSA-N 403.286 6.808 0 1 HKAF CC(C)c1ccc2c(c1)-c1nc3ccc(O)c4c3c(c1CCO2)-c1ccccc1C4=O 586990533 GDRGCSFLHGIRDD-UHFFFAOYSA-N 407.469 5.877 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1/C=C(/C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991137 JNVPPJMQIDZEQM-RUDRXDDOSA-N 409.529 6.938 0 1 HKAF CC(C)Oc1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 586998827 PIMVVFVOBSPYAU-UTCJRWHESA-N 401.260 5.012 0 1 HKAF COC(=O)c1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 587039849 FQRPCOAWLLYDII-UHFFFAOYSA-N 401.491 5.195 0 1 HKAF Clc1ccccc1-c1nc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)co1 587060414 FFALGUDNCYGDEN-UHFFFAOYSA-N 403.894 6.690 0 1 HKAF Cc1onc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)c1COc1ccccc1Cl 587063186 HHHBAVCVNLJOFB-UHFFFAOYSA-N 423.835 5.084 0 1 HKAF Clc1ccccc1OCc1ccc(-c2nc3c(Br)nccc3[nH]2)o1 587064285 IFTLBIUCIXSICA-UHFFFAOYSA-N 404.651 5.213 0 1 HKAF COc1cc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1OC 587072516 RJTPVMDLAFKAQI-HCXWROJUSA-N 417.336 6.253 0 1 HKAF COc1cc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c2cc1C 587122172 SAEVBQOGXNMHQI-UHFFFAOYSA-N 419.428 5.877 0 1 HKAF CCOC(=O)Cc1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587148528 BNIWQYLNQQSXNA-HSZRJFAPSA-N 422.431 5.115 0 1 HKAF Fc1ccc(/C=C\c2nc3cc(Br)c(Br)cc3[nH]2)c(F)c1 587150991 WWKSGIWJVVJVMZ-RQOWECAXSA-N 414.047 5.537 0 1 HKAF Cc1cc(Br)c2[nH]c([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc2c1 587167532 UFRQYFIXZGRNKD-MRXNPFEDSA-N 417.282 5.142 0 1 HKAF C/C(=C\[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)N(C)C 587333079 FVRVRBAJORKUIQ-CBQZTEGVSA-N 417.480 5.251 0 1 HKAF O=C1c2ccc(O)cc2OC2(c3ccccc3-c3ccccc32)[C@@H]1c1ccc(F)cc1 587352009 LNVPSJNGKFUWII-RUZDIDTESA-N 408.428 5.814 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(C)c(C)cc2OCC3)c1 587365521 IDHDPPOKPGXFOC-UHFFFAOYSA-N 421.496 6.875 0 1 HKAF COC(=O)c1cc(-c2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Cl 587372725 AHMJLKGSFDHQDC-JOCHJYFZSA-N 421.880 5.391 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc4c(c3)OCCCO4)cc1)O2 587411436 JFGVHQFQAGAMOU-HSZRJFAPSA-N 401.462 5.112 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cn(Cc4cccc(F)c4)c4ccccc14)[C@@H](C2)C3=O 587429086 SGGQQSRLCOGMDA-FNZWTVRRSA-N 413.448 5.326 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cc(Br)ccc3o1)CC2=O 587458762 LEIGNUKDQKGABZ-LJQANCHMSA-N 401.256 5.560 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(Br)ccc(Cl)c1F)CC2=O 587465076 AICFVHAPZOIIJJ-OAHLLOKOSA-N 413.670 5.606 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCCCC(=O)OC)(c1ccc(F)cc1)CC2=O 587466235 JRZNXGAASDGKPB-DEOSSOPVSA-N 414.473 5.078 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c(Br)cc(F)cc31)CC2=O 587469578 AUWXLBCEQUNIID-FQEVSTJZSA-N 405.263 5.053 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1cccc3ccccc13)CC2=O 587492904 ZFNVRNIOCQZDLR-VWLOTQADSA-N 404.462 5.223 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCc3nc(-c4ccccc4)sc31)CC2=O 587494034 HQWHHVYNRJGBCJ-XMMPIXPASA-N 405.519 5.665 0 1 HKAF CC[C@@]1(c2cc(Br)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587505209 LUAFOHUCNQMDQQ-NRFANRHFSA-N 403.291 5.738 0 1 HKAF O=C1C[C@@H](c2c(-c3ccc(F)cc3)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 587505655 JIKZLPBPISXMRO-DEOSSOPVSA-N 411.476 6.559 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cc1C(F)(F)F 587545665 HBALWEFAMWESOT-FXAWDEMLSA-N 404.315 5.253 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)ccc(Cl)c1Cl 587547063 SCZWVGWBMBNEGW-OXQOHEQNSA-N 403.217 5.108 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccsc2)cc1 587617262 JNRICBUCCIEIPT-QPPBQGQZSA-N 400.455 5.824 0 1 HKAF FC(F)(F)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1nc2ccccc2[nH]1 587621973 RZIAKQJDBSZKRV-UHFFFAOYSA-N 420.192 5.369 0 1 HKAF Cc1cc(Cl)cc2c(-c3nc4ccccc4o3)c(-c3ccc(C(C)(C)C)cc3)[nH]c12 587625672 JUXWWCPGWNRHTN-UHFFFAOYSA-N 414.936 7.902 0 1 HKAF CCOC(=O)c1c(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]c2cc(Cl)c(F)cc12 587631973 NZWNBGMSRXWMBR-UHFFFAOYSA-N 424.900 5.252 0 1 HKAF CC1=C[C@@H]2C=C([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)C(Cl)=N[C@H]2C=C1 587707178 UMYHBEODDVKREY-NJAZFKHCSA-N 421.741 5.242 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OC(F)(F)F)N1 587715627 CFUDJFAPHFUYSM-XXFAHNHDSA-N 404.201 5.110 0 1 HKAF COc1ccc(Cl)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F 587721511 WOGDMISLMUONRJ-CQLKUDPESA-N 402.666 5.013 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccccc3)cc2)N1 587815652 OHLCASWRMUFLQS-IQMFZBJNSA-N 410.330 6.053 0 1 HKAF CCCCC[C@]1(c2ccc(O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587836241 ZYXSXXOCIJWAGU-LHSJRXKWSA-N 406.339 5.652 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2\CCCO2)(c2ccccc2)N1 587836884 YJUNQEJLHDNIOV-YAUJOUCXSA-N 402.307 5.060 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2sc2ccccc32)N1 587858413 QEIIYEVBDOUCFW-LAJNKCICSA-N 416.359 5.917 0 1 HKAF CCc1nn2cc(-c3nc4ccc(OCc5ccc(Cl)cc5)cc4o3)nc2s1 653662919 BZMWZXHEUISLSZ-UHFFFAOYSA-N 410.886 5.394 0 1 HKAF Cc1cc2c(cc1C)-c1nc(-c3ccccc3)c(C(=O)c3ccccc3)cc1CCC2 653697796 HCASWBXCZJLDTB-UHFFFAOYSA-N 403.525 6.752 0 1 HKAF COc1ccc2cc([C@@H](C)c3nnc4n3N=C(c3ccc(C)cc3)CS4)ccc2c1 653705344 UCCKULMKWDKIRY-MRXNPFEDSA-N 414.534 5.258 0 1 HKAF CCCn1nc2ccc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)cc2c1C 653717489 STNZKQGKFPXQMF-UHFFFAOYSA-N 407.901 5.138 0 1 HKAF COc1ccc2c(c1)[C@@](c1ccc(C)cc1)(c1cccc(Cl)c1)N(C(C)C)CC2 962091224 NJBRCGXUGBKWOW-AREMUKBSSA-N 405.969 6.215 0 1 HKAF O=C(O)CCCCC[C@]1(c2ccc(F)cc2)NCCc2cc(-c3ccccc3)ccc21 962673932 ZPLLTFLULRJSGI-HHHXNRCGSA-N 417.524 5.917 0 1 HKAF COc1ccc2c(c1)[C@H](c1ccc(C(F)(F)F)c(Br)c1)N[C@H]1CC[C@H]21 962997082 QJCKXPYWHGCNMV-BVGQSLNGSA-N 412.249 5.415 0 1 HKAF CCc1ccccc1-c1cccc2sc(CNCc3ccc(C(=O)O)cc3)cc12 1772649763 YJFVBILVDPNENV-UHFFFAOYSA-N 401.531 6.119 0 1 HKAF O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2[C@@H]1c1ccncc1 1857611698 RFTDOKATMJAJBE-SFHVURJKSA-N 404.322 5.630 0 1 HKAF CCCCC[C@H](O)C=CCCCC[C@H](CCN)[C@H](CCc1ccccc1)CC(=O)O 2356452403 OAKLHQCYJTXQSN-SDHSZQHLSA-N 417.634 5.733 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC[C@@]21C)C(C)C 2356453265 SQDMPVUEHGQIMQ-UGELXJRVSA-N 410.686 7.721 0 1 HKAF CC=C(C)[C@@H](CC=C(C)C)c1c(OC)cc(O)c2c1O[C@@H](c1ccccc1)CC2=O 2356466478 HQQKQQPDXDECON-DENIHFKCSA-N 406.522 6.513 0 1 HKAF CC[C@@H](C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356478782 RTLUSWHIKFIQFU-XQHQCTRDSA-N 412.702 8.089 0 1 HKAF CC(C)CC=C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@@]21C 2356566366 FNLULDRVESXFIV-IDSGRSSVSA-N 416.646 5.108 0 1 HKAF CC[C@@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C=C[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356604616 BDCFUHIWJODVNG-VPUBHVLGSA-N 412.702 7.801 0 1 HKAF CCc1nc2c(OCc3ccc(Cl)cc3)cccn2c1N(C=O)Cc1ccccc1 61902596 QNBNWSOUZRAPLP-UHFFFAOYSA-N 419.912 5.292 0 3 HKAF CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 4080309 GVPRHKGCFZTESR-LOSJGSFVSA-N 421.585 5.343 0 1 HKAF c1ccc2c(NCCCCCCCCCNc3ccnc4ccccc34)ccnc2c1 6117713 WNXGDLDYZVDJMH-UHFFFAOYSA-N 412.581 7.038 0 1 HKAF CC(C)CC(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C=CC(C)(C)O2 14586144 VSDJRZADBKXDHP-UHFFFAOYSA-N 404.462 5.579 0 1 HKAF endogenous,in-man Cc1cc(C)cc(-c2c(OCC[C@H]3CCCN3C)c3ccc(Cl)cc3[nH]c2=O)c1 26579010 OCJOFYODEZCIDD-LJQANCHMSA-N 410.945 5.328 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@](C)(C[C@@H](O)C3=CC(=O)O[C@H]3O)CCC[C@@]21C 26974449 JSDANYFQRXTLHP-QBXOTBDCSA-N 406.607 5.224 0 1 HKAF Nc1nccn2c(C3CCC3)nc(-c3cccc(OCc4ccccc4Cl)c3)c12 28885287 SRZHVZJQTPZOLZ-UHFFFAOYSA-N 404.901 5.478 0 1 HKAF CN1CCC[C@@H]1CCNc1nc(Nc2ccc(Cl)c(Cl)c2)c2ccccc2n1 29203673 NBXHVAKGYIPQMA-OAHLLOKOSA-N 416.356 5.576 0 1 HKAF C1=C(c2csc3ccccc23)C[C@H]2CC[C@@H]1N2CCOc1cccc2[nH]ccc12 36271383 OJXKZZVZQUPMPM-RBUKOAKNSA-N 400.547 6.082 0 1 HKAF COc1ccc([C@H]2[C@@H]3CCCCC3=NN2S(=O)(=O)c2cccc3ccccc23)cc1 43121965 YJCWBGMUNMLUDC-QPPBQGQZSA-N 420.534 5.140 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4ccc(CN5CCC[C@H](N)C5)cc4)s3)nc12 45324016 UYPSVJHMWCVEIG-IBGZPJMESA-N 402.567 5.190 0 1 HKAF CN1CCC[C@H]1CCn1c(-c2ccsc2)nc2c(NC3CCCCCC3)ncnc21 82190691 PMQILDDOCYXHGX-IBGZPJMESA-N 424.618 5.174 0 1 HKAF Fc1ccc2c(CCCN3[C@@H]4CCC[C@@H]3c3c([nH]c5ccc(F)cc35)C4)noc2c1 100757853 SVUPKIFOEXQRAR-OPAMFIHVSA-N 407.464 5.672 0 1 HKAF O=[N+]([O-])c1cccc(CN(c2cc3ccccc3s2)S(=O)(=O)c2ccccc2)c1 115231822 IFGYVZJTKLOPQF-UHFFFAOYSA-N 424.503 5.205 0 1 HKAF O=C(O)CCCCCC[C@H]1C(=O)CC[C@@H]1c1ccc([C@@H](O)C2CCCCC2)cc1 117774410 FLFZVSDHXMCUKI-RQTOMXEWSA-N 400.559 5.788 0 1 HKAF COc1cc(N[C@@H](C(=O)c2c[nH]c3ccc(F)cc23)c2ccccc2)cc(OC)c1 205172952 FEFLNCSFQIYLEB-HSZRJFAPSA-N 404.441 5.360 0 1 HKAF C=CC(=O)Nc1cccc(Oc2ccnc(N)c2-c2ccc(Oc3ccccc3)cc2)c1 205508193 CAWFKHMTDSKZFM-UHFFFAOYSA-N 423.472 6.040 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255212463 GLMODYUVPPNCQV-XQDHGAOQSA-N 412.702 7.801 0 1 HKAF C[C@@H]1CN(CCCc2ccccc2)[C@H]2C[C@H](NCC3CC3)C[C@@]1(c1cccc(O)c1)C2 261112954 IIUGSDSXFCBDCZ-PYGAOQJHSA-N 418.625 5.135 0 1 HKAF CN(C(=O)[C@@H]1[C@@H](c2ccccc2)[C@H]1c1ccccc1)[C@H]1CCCC[C@@H]1N1CCCC1 261180717 WBABSZHKMKONHN-QWDLEPIUSA-N 402.582 5.049 0 1 HKAF Cc1c(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)oc2c1[C@H](O)CCC2 586905415 NYCZYOMFHAKNLJ-LLVKDONJSA-N 415.209 5.282 0 1 HKAF Fc1c(Br)ccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587030074 ZUKOSYIEGRGSMP-UHFFFAOYSA-N 404.264 5.167 0 1 HKAF Cc1cccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 587075849 KPCXPWXMXLGWGX-OBGWFSINSA-N 421.931 7.227 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(-c5ccccc5)s4)nc13)-c1ccccc1C2=O 587102916 RVDVXYIEXXCWHF-UHFFFAOYSA-N 403.506 7.150 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(F)cc3Br)nc3cccc1c23 587104435 UHBNLOFSZHUTPK-UHFFFAOYSA-N 404.238 6.015 0 1 HKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(Br)ncc(F)c3[nH]2)cc1 587157767 GCOQZXPUGYLPLY-UHFFFAOYSA-N 414.209 5.145 0 1 HKAF COC(=O)c1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c2c(F)c1Nc1ccccc1 587161431 NXWYHRDPLYVDAS-DLBZAZTESA-N 419.431 5.642 0 1 HKAF Cc1ccc2c(ccc3nc(-c4cc(Cl)cc(I)c4)[nH]c32)n1 587183687 GRZQEBLUYDKVRU-UHFFFAOYSA-N 419.653 5.345 0 1 HKAF COC(=O)c1sccc1O[C@@H](C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587209645 RLOROGRETPLCSE-ZDUSSCGKSA-N 415.470 5.434 0 1 HKAF CSc1ccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2c1 587231132 MRZYZLJLQLYCFC-UHFFFAOYSA-N 418.522 5.174 0 1 HKAF CC[C@]1(c2cc(F)c(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331168 ITSYRPHJQDTYOW-NFBKMPQASA-N 416.370 5.613 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2c[nH]c3ccccc23)(C2CC2)[C@@H]1c1ccc(F)cc1 587349885 VXTLTOONUIMIAY-RSXGOPAZSA-N 413.448 5.677 0 1 HKAF Cc1ccc(C2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 587350366 HRBHPVRECVDPQJ-AUZHMDRFSA-N 416.492 6.295 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCCCC23CCCCC3)[C@H]1c1ccc(F)cc1 587354707 REATWFYCXMWFMZ-OZXSUGGESA-N 408.513 6.544 0 1 HKAF O=C1c2ccc(O)cc2O[C@](CC2CCC2)(c2ccccc2)[C@H]1c1ccc(F)cc1 587356777 RRRSMQVYVUJLBB-AZGAKELHSA-N 402.465 5.976 0 1 HKAF COc1cccc(-c2cc(-c3c(C)n(C)c4ccccc34)nc3c2oc2ccccc23)c1 587364093 ZWFKHBJZUIECGY-UHFFFAOYSA-N 418.496 7.124 0 1 HKAF COc1ccc2[nH]c3c(C)cc([C@H]4CC(=O)c5cc(C)cc(N)c5O4)c(C)c3c2c1 587395999 IANMXNXFMFHHQB-JOCHJYFZSA-N 400.478 5.544 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4cccc(C)c4)c(F)c1)[C@@H](C2)C3=O 587428488 ZVNALUCPCIKYTQ-FNZWTVRRSA-N 418.464 5.385 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(C)c(C)c4)nc4ccccn14)[C@@H](C2)C3=O 587435851 LHCFWMHCAGCWPI-SIBVEZHUSA-N 410.473 5.115 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cccc(OC(F)(F)F)c1)(C1CC1)CC2=O 587464294 NPSJSWBJSWEONM-NRFANRHFSA-N 406.400 5.514 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCC)(c1ccc(Oc3ccccc3)cc1)CC2=O 587475696 CBTFEUOHQYXIPJ-HHHXNRCGSA-N 416.517 6.798 0 1 HKAF CCCc1c(O)ccc2c1OC1(CCN(c3ccc(C(C)(C)C)cc3)CC1)CC2=O 587476022 SKHJLEPCCAXGLA-UHFFFAOYSA-N 407.554 5.647 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(OCC)cc1O)CC2=O 587479243 MGVHIUFXCDGZGY-SANMLTNESA-N 418.489 5.358 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1csc3c(Br)cccc13)CC2=O 587496043 RDVXKUCOQOPPOR-GOSISDBHSA-N 417.324 6.028 0 1 HKAF CCCOc1c(Cl)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCC 587499566 VPUGWVADGSOTQA-NRFANRHFSA-N 414.929 6.113 0 1 HKAF Cc1ccc(-c2cccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1F 587503301 GEFRRVCDGXRBBB-MHZLTWQESA-N 400.493 6.561 0 1 HKAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)cc1F 587506844 PZXPGUXKVQTQNJ-SFHVURJKSA-N 405.263 5.182 0 1 HKAF O=C(O)CC[C@@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587507453 QPKCHIPALLXKTA-QFIPXVFZSA-N 419.304 5.598 0 1 HKAF C[C@]1(c2ccc(OC[C@@H]3CCCCO3)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587509165 XLAHAQOGNALNJL-AFMDSPMNSA-N 424.512 5.533 0 1 HKAF O=C1C[C@@]2(C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)Oc2c1ccc1c2CCCC1 587519286 XUSMGHTYAUMCEO-IEMBSSLISA-N 401.550 5.487 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1C(F)(F)F 587542743 AZTRRKIMSWXFIF-XLIONFOSSA-N 420.770 5.767 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)nc1C(F)(F)F 587556000 NDVCTIQGSYDJEG-QAPCUYQASA-N 421.758 5.162 0 1 HKAF Cc1ccc(-c2n[nH]cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587591208 BMLAHVASKWGPLG-SQJMNOBHSA-N 412.445 5.102 0 1 HKAF CCCCCC[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613236 XMPZDRVAPKLQGS-BVAGGSTKSA-N 418.489 5.925 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(Cl)c2Cl)N1 587695116 NBBMBKWSVDMMGU-XYZCENFISA-N 403.122 5.693 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)cc2)N1 587715049 RFFCTMGBDBPXSJ-QGHHPUGFSA-N 402.229 5.405 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(Cl)cc2Cl)N1 587716141 IVMRVZHYNQIXLJ-HYORBCNSSA-N 407.085 5.658 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F 587719874 RNMBIDTWIMVWII-QGHHPUGFSA-N 400.238 5.122 0 1 HKAF Cc1ccc(C)c([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587740746 KNCDCYIDTMMTMM-CUPHMOHQSA-N 417.366 5.058 0 1 HKAF Cc1ccccc1[C@@]1(c2cccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587848594 ONEXLPBODTVCRZ-LHSJRXKWSA-N 416.359 5.784 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nnc(C(F)(F)F)s1 587855759 RKMIFHUHAVTCJM-UHFFFAOYSA-N 409.220 5.115 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C(C)C)cc(C(C)C)c1O 587870448 JHRCRYWOIPTACU-UHFFFAOYSA-N 410.489 5.729 0 1 HKAF C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874013 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C[C@H]1CCC([C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5[C@H](O)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)=NC1 2356540548 BLVNKXGGFFUMSS-YRNBZBCKSA-N 413.646 5.404 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@H](C)[C@@H]1OC(=O)C=C(C)C 2356549688 IDAAXBSMDRZVPD-OMJWHPFPSA-N 414.542 5.105 0 1 HKAF CC(C)=CCCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)C=CC(C)(C)O3)CC2=O 2356593299 GMOCXMGQQZXIKU-VWLOTQADSA-N 418.533 6.572 0 1 HKAF CC(C)c1ccc(C[C@@H]2C[C@@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(C(C)C)cc32)cc1 2356625063 YNDIZZUNLKBRKP-KXUYPQTPSA-N 418.665 8.453 0 1 HKAF Cc1cc2c(c(O)c1Br)-c1ncoc1C(=O)[C@]1(C)CC[C@H](C(C)C)[C@@H]21 2356802297 SBSHUVJNZWRMRR-STYXZAMGSA-N 404.304 5.470 0 1 HKAF CC[C@@H](C)Sc1cc(-c2nc3cc(C)ccn3c2NC2CCCCC2)ccc1OC 61959543 PGRSSZHYAIHBSV-GOSISDBHSA-N 423.626 6.954 0 3 HKAF Cc1ccccc1[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 1910467 PYNFKKBWKOSQPJ-VPUSJEBWSA-N 417.593 5.588 0 1 HKAF O[C@H](COc1cccc2[nH]ccc12)CN1CCC(c2cc3ccc(F)cc3s2)CC1 3991709 YXCWXVXALVIDQG-IBGZPJMESA-N 424.541 5.141 0 1 HKAF CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCc1ccccc1F 4295058 UMYZRXLUHPIJRU-LEWJYISDSA-N 402.535 5.260 0 1 HKAF O=S(=O)(Nc1ccc(C(F)(F)F)cc1Cl)c1cccc(C(F)(F)F)c1 6092525 YGCZILBZSKPBHM-UHFFFAOYSA-N 403.731 5.178 0 1 HKAF CC1=CC(=O)O[C@H](CSc2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)[nH]2)C1 13730534 CCNZJEPSZAHBRM-FQEVSTJZSA-N 404.535 5.714 0 1 HKAF FC(F)(F)c1cc(COC[C@@]2(c3ccccc3)CCCCN2)cc(C(F)(F)F)c1 13781109 SDAQMMFVBYMJDD-LJQANCHMSA-N 417.393 5.910 0 1 HKAF Cc1c(Cl)c(O)c2c(c1C=O)O[C@](C)(/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)CC2 13835899 KWVYJSFOCKXTCX-YXKGZYBQSA-N 404.934 5.448 0 1 HKAF CC(C)CC[C@H]1CCCCCCc2c1oc(=O)c([C@H](c1ccccc1)C1CC1)c2O 27520313 NXQVAZCCMOUJJI-FYYLOGMGSA-N 408.582 6.914 0 1 HKAF Cc1ccc(C(=O)CC(CC(=O)c2ccc(C)cc2)c2cccc(C(=O)O)c2)cc1 27636716 DLLDNQXQTVHIEG-UHFFFAOYSA-N 400.474 5.631 0 1 HKAF C[C@](CO)(CCCCC(=O)CCCC[C@@](C)(CO)c1ccccc1)c1ccccc1 28396270 OCDKZSIVJWVBQD-MKPDMIMOSA-N 410.598 5.577 0 1 HKAF O=C(Nc1cc(-c2ccc(Cl)cc2)ns1)c1ccc(Nc2ccncn2)cc1 28953191 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406.511 5.025 0 1 HKAF Cc1ccc2c(c1)S[C@H](c1ccccc1)[C@H]1C(=N2)c2ccccc2[C@H]1c1ccccc1 95562947 KDQIDXUBKCXTBC-LSMIHOHGSA-N 417.577 7.725 0 1 HKAF O[C@@H](c1ccccc1)[C@H]1CO[C@H](c2ccccc2)[C@@H](C/C=C/c2ccccc2F)C1 96901578 MXYLTQDJOBJGJZ-ZPISJIGPSA-N 402.509 6.357 0 1 HKAF CCN(Cc1ccccc1)C(=O)Nc1cc(-c2cccc(Cl)c2)sc1C(=O)O 96924215 RCYYIUZEIGZILF-UHFFFAOYSA-N 414.914 5.821 0 1 HKAF CCCC[C@@H](O)Cc1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OC)cc1 117777269 YPBWBYYYMUJPHT-DNVJHFABSA-N 402.575 5.357 0 1 HKAF Cc1nc2c(C)cccc2c(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c1C 118093206 ZJFBGMJJFJRODW-UHFFFAOYSA-N 401.554 5.426 0 1 HKAF CC(=O)COc1cccc([C@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 142049634 UZJSWVBCLVCUOH-HNNXBMFYSA-N 418.522 5.203 0 1 HKAF O=S(=O)(c1cc(F)cc(F)c1)c1sc2ncccc2c1-c1ccc(Cl)cc1 149821481 JTVDTBMIYUBTDN-UHFFFAOYSA-N 421.877 5.728 0 1 HKAF O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCC(O)(c2ccc(Cl)cc2)CC1 163639089 AUIUQQYPUSEYDJ-UHFFFAOYSA-N 416.802 5.013 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccc(Oc2ccccc2)nc1 167106441 QSXDUAFPRKCURK-FQEVSTJZSA-N 418.493 5.145 0 1 HKAF NC1(c2ccc(-c3nc4cc(-c5ccccn5)ccn4c3-c3ccccc3)cc2)CCC1 168206093 UFAPEESOYAUIKS-UHFFFAOYSA-N 416.528 6.068 0 1 HKAF CCOc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccc(Cl)cc1F 169304838 DIBOYPIATUJMGG-UHFFFAOYSA-N 412.332 6.142 0 1 HKAF CO[C@@H]1OCC2=CC[C@@H]3[C@@](C)([C@H]21)[C@H](O)C[C@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@]13C 169354843 BIJAKZXAJWXIHK-ZZABGOSCSA-N 402.619 5.571 0 1 HKAF O=C(c1c[nH]c2ccccc12)[C@H](Nc1cccc(OC(F)(F)F)c1)c1ccccc1 205169016 BPOZPSSEJOZXNU-OAQYLSRUSA-N 410.395 6.103 0 1 HKAF Cc1ccc(Cn2cc(C(=O)NN3CCCC3)cc2-c2ccc(Cl)c(C)c2)cc1 473136943 VMAGXTDYDZLRPW-UHFFFAOYSA-N 407.945 5.214 0 1 HKAF Oc1cccc(Nc2nc3ccc(C(F)(F)F)cc3nc2Nc2cccc(O)c2)c1 474603503 CGNCPDQKPJDHBV-UHFFFAOYSA-N 412.371 5.547 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(Cl)c(Cl)cc3O)nc3ccc(O)c1c23 586985471 HWXJTXBFZOCXPL-UHFFFAOYSA-N 408.240 5.831 0 1 HKAF COc1cc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1OC 587072518 RJTPVMDLAFKAQI-PGVPSIDASA-N 417.336 6.253 0 1 HKAF FC(F)(F)c1cnc2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc2c1 587072550 YNFNXZZBIWZHQW-UHFFFAOYSA-N 409.198 6.013 0 1 HKAF O=C(O)c1cccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587074185 UKBZMXDIZQNQFM-OBGWFSINSA-N 402.881 6.088 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(Cl)cc2[nH]1 587086279 DPKWNQAMNLRQGA-VQHVLOKHSA-N 417.727 6.247 0 1 HKAF COc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1Br 587102436 SPUOIXUWMJPVGV-UHFFFAOYSA-N 416.274 5.884 0 1 HKAF COc1ccc(C)cc1-c1nc2cccc3c2c(c1CC(=O)O)-c1ccccc1C3=O 587106169 GIZUMYWZIMPEOG-UHFFFAOYSA-N 409.441 5.057 0 1 HKAF FC(F)(F)c1cc(CCc2nc3cc4c(cc3[nH]2)OCO4)cc(C(F)(F)F)c1 587112513 VEOZKGRFOPNNMH-UHFFFAOYSA-N 402.294 5.114 0 1 HKAF Fc1ccccc1-c1cccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 587152914 HMPSYDFUAACBHY-UHFFFAOYSA-N 421.500 7.313 0 1 HKAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(C)c(F)cc3[nH]2)c1C 587165639 HGAQCMNBVRDENG-UHFFFAOYSA-N 423.463 5.346 0 1 HKAF COC(=O)c1cc(Br)c2[nH]c([C@@H](C)CSc3ccc(F)cc3)nc2c1 587170637 SCSMYGMOTYNXSV-JTQLQIEISA-N 423.307 5.147 0 1 HKAF Cc1cc2c(cc1Cl)[C@@]1(C=CO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327617 HGABMRVOGRJQIP-ISKFKSNPSA-N 422.839 5.654 0 1 HKAF CC(C)[C@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335826 RODBLPGSWIAGSC-LADGPHEKSA-N 412.407 5.720 0 1 HKAF CCc1nc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2o1 587348363 RKVATMZCDCLCJJ-RDGATRHJSA-N 417.436 5.509 0 1 HKAF COc1cccc(-c2cc([C@@H](C)c3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 587357863 NLMHFKMMNXKEBG-INIZCTEOSA-N 413.904 7.462 0 1 HKAF CC(C)c1cccc2c1OCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587361034 XFBGANFYYXIGMZ-ZEQKJWHPSA-N 418.464 5.692 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](c2ccccc2)C[C@@H]3C)c1 587364720 BRSAVKDZEVFTSG-GHTZIAJQSA-N 419.524 7.490 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(C)cc2OCC3)c1 587365995 LWQZQVPMCVQMNH-UHFFFAOYSA-N 407.469 6.567 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccccc4C)c(OC)c1)[C@@H](C2)C3=O 587440883 BPSREJHNCRZQBK-RXFWQSSRSA-N 416.473 5.080 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1ccc(F)cc1)(c1ccc(C)cc1)CC2=O 587469246 YVZUJYQEXSJSEM-SANMLTNESA-N 404.481 5.896 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccccc2N[C@@H]1c1ccccc1 587484759 NMBLKUCPEAXQMQ-AOYPEHQESA-N 413.473 5.098 0 1 HKAF O=C1C[C@@](c2ccccc2)(c2cc(Cl)ccc2O)Oc2c1ccc1c2CCCC1 587498810 HHJZRMYQHOTQAJ-RUZDIDTESA-N 404.893 5.833 0 1 HKAF Cc1ccc([C@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 587503977 HQAABJAGVFYING-AREMUKBSSA-N 418.920 6.142 0 1 HKAF O=C(O)CC[C@@]1(c2ccc(F)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587509227 XTUMEAXBJSEUGD-QFIPXVFZSA-N 402.849 5.083 0 1 HKAF O=C1C[C@]2(C=C(c3ccccc3)Oc3ccc(O)cc32)Oc2c1ccc1c2CCCC1 587532978 RMGIHBPTEYXZLS-HHHXNRCGSA-N 410.469 5.565 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1cccs1 587572923 UGGMCBWMRXJILT-URXFXBBRSA-N 418.445 5.498 0 1 HKAF CC[C@]1(c2ccc([C@H](C)OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592392 GWPWQUGEWPWTRT-AGSBLFPASA-N 404.462 5.367 0 1 HKAF CCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC 587599752 ZUEIBKYBCPSDSM-RCZVLFRGSA-N 420.461 5.283 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)s1 587611396 IHTVIICHRDBIKA-REWPJTCUSA-N 420.511 6.194 0 1 HKAF Cc1oc2ccc(O)cc2c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615790 HMSLALSJTYGTOO-URXFXBBRSA-N 402.402 5.029 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccsc2)cc1 587617264 JNRICBUCCIEIPT-URXFXBBRSA-N 400.455 5.824 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccsc2)cc1 587617265 JNRICBUCCIEIPT-XUZZJYLKSA-N 400.455 5.824 0 1 HKAF Cc1c(-c2cc(Br)ccc2OC(F)(F)F)[nH]c2c(C(=O)O)cccc12 587637170 CYCLBFSFMWLCAN-UHFFFAOYSA-N 414.177 5.503 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(NC(=O)CC(C)=O)cc3)c2c1 587640493 ARFSUFGRPOTZON-AWEZNQCLSA-N 405.498 5.160 0 1 HKAF CC(C)[C@@]1(CCc2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587697057 LFRVKQQFJZFUGZ-LHSJRXKWSA-N 424.785 6.260 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)[nH]c3ccccc23)N1 587702112 CZZDPJBYJYWCEE-DGIBIBHMSA-N 407.714 5.521 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccccc3nc2Cl)N1 587704264 JANCUEMONLUURW-MGNBDDOMSA-N 405.698 5.413 0 1 HKAF Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cccc1C(F)(F)F 587710972 IEYYQSFCQJFUBC-XLFHBGCDSA-N 402.229 5.539 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2Br)N1 587723371 XHYUYBMLOXACAY-ZKANADHPSA-N 417.091 5.113 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)C[C@]1(CC3)N[C@@H](C)Cc2cc(Br)c(F)cc21 587801764 IACYIVQAABAGBV-XMHCIUCPSA-N 413.334 5.296 0 1 HKAF CSc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 587845133 NAJUOTAPTGJRAY-YPMLDQLKSA-N 414.771 5.761 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(C(F)(F)F)cc1Cl 587868775 SMAXNSYIBPCXPV-UHFFFAOYSA-N 421.728 5.634 0 1 HKAF COc1ccc(C2(c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)CC3(CCC3)C2)cc1 587934462 AOGRKFAEHHYCDV-UHFFFAOYSA-N 420.862 6.494 0 1 HKAF Cc1ccccc1-c1ccc(Cc2nc3c(Cl)c(Br)cnc3[nH]2)cc1 587958698 GHLOBHIMAGPYOP-UHFFFAOYSA-N 412.718 5.940 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc2c1 587965173 OZECEPSMMIOPNM-UHFFFAOYSA-N 415.331 5.342 0 1 HKAF CN1N=C2c3ccccc3O[C@H](c3ccccc3)[C@H]2[C@@H]1c1ccc(Br)cc1 653900983 ZWMJACAHTSXEKX-AKIFATBCSA-N 419.322 5.590 0 1 HKAF CCCCOc1ccc(F)c([C@@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c1F 962566893 JKBMKNMGRMJHJQ-PEBXRYMYSA-N 405.485 5.127 0 1 HKAF Cc1ccnc([C@]2(c3ccc(C(C)C)cc3)NCCc3cc(-c4ccccc4)ccc32)c1 962675452 ZLFABGLMFDOGBV-SSEXGKCCSA-N 418.584 6.618 0 1 HKAF c1ccc([C@]2(c3cccc4ccccc34)c3ccsc3CCN2Cc2ccco2)cc1 962706516 MMFYXYIFHYXMIF-NDEPHWFRSA-N 421.565 6.845 0 1 HKAF Cc1noc(C)c1COc1ccccc1[C@H]1c2ccsc2CCN1Cc1ccco1 962714453 ZJSRIBAUQLPNFI-DEOSSOPVSA-N 420.534 5.673 0 1 HKAF COc1ccc2c(c1)[C@@](c1ccc(C)cc1)(C(C)(C)C)N(Cc1ccc(F)cc1)CC2 963300991 JTAPZWONWIVDJK-NDEPHWFRSA-N 417.568 6.491 0 1 HKAF FC(F)(F)[C@H]1C=C[C@]2(CC1)NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963831463 GRFDRNYDOZDMHB-GAJHUEQPSA-N 412.455 5.616 0 1 HKAF COc1ccc2c(CN3CCC(F)(F)[C@@H](CCc4ccc(F)cc4)C3)c[nH]c2c1 1772582852 LHLZNQMVMHRVLL-SFHVURJKSA-N 402.460 5.406 0 1 HKAF C(=C/c1ccc(-c2ccccc2)cc1)\CCCCCCCCCOC[C@@H]1CCCN1 1857537847 KZMZLFGNOFLKDZ-CWBDRXANSA-N 405.626 7.256 0 1 HKAF O=C(Nc1cc(C(F)(F)F)c(Cl)c(C(F)(F)F)c1)c1cc(Cl)ccc1O 1857577018 UPWAZNPKLICSSP-UHFFFAOYSA-N 418.120 5.989 0 1 HKAF CC=C(CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)CCC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356340710 WBYFDFJWHRNSJD-JAEHXAENSA-N 412.702 7.945 0 1 HKAF CCC[C@@H]1C[C@@H](CCc2ccc(O)c(OC)c2)O[C@H](C=C(C)CCC=C(C)C)O1 2356352559 WJMAMCWCNHAOTC-TZBSWOFLSA-N 402.575 6.326 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@@H]3C(=CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@]34C)[C@H]2C1 2356595421 GLENULFUVDQXBU-AWMHKDLGSA-N 412.702 7.779 0 1 HKAF C[C@H]1Oc2c3c(c4c(-c5ccccc5)cc(=O)oc4c2C(=O)[C@@H]1C)OC(C)(C)C=C3 3874987 YRHQANFINIANSK-ZIAGYGMSSA-N 402.446 5.244 0 1 HKAF biogenic C1=C(c2ccccc2)[C@H](c2cccc(OCCN3CCCCC3)c2)Oc2ccccc21 5766530 XIVLBELVDVKCRL-NDEPHWFRSA-N 411.545 6.226 0 1 HKAF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C3(c4ccccc4)SCCS3)cc1OC2(C)C 13553597 MZRAFUHMUIHTGW-WOJBJXKFSA-N 424.631 6.684 0 1 HKAF COc1ccc(-c2cccc([C@@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c2)cc1 13830342 DBKAWFFTGBWKDF-LSMIHOHGSA-N 423.556 6.418 0 1 HKAF COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OCC1CC1 13863459 BQXOJMGGMXNMBL-FCHUYYIVSA-N 422.569 5.336 0 1 HKAF CC(C)(CCCCCOc1cccc(OCCCCCC(C)(C)C(=O)O)c1)C(=O)O 25976614 GDKLXFRHKRZDIP-UHFFFAOYSA-N 422.562 5.787 0 1 HKAF Clc1ccc(-c2c[nH]cc2[C@@H](c2ccc(Cl)cc2Cl)n2cnnc2)cc1 26661852 VBFAYSFFZTYTGS-LJQANCHMSA-N 403.700 5.871 0 1 HKAF C(=C/c1ccc2ccccc2n1)\c1ccc(OCc2ccccc2Cc2nnn[nH]2)cc1 28222325 TXICNZATMSLKCW-UKTHLTGXSA-N 419.488 5.088 0 1 HKAF CN(C)c1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)C2=O)cc1 28568546 ZDWWQQXXGWLFMH-WXAWJTAASA-N 401.550 5.577 0 1 HKAF in-vivo CCN(CC)CCC[C@@H](C)Nc1nc(/C=C/c2ccccc2)nc2ccc(Cl)cc12 29466813 ZHKLGRXKJVJBBA-NRMGUKERSA-N 423.004 6.376 0 1 HKAF Clc1ccc([C@H](Cc2ccc(Br)cc2)Cn2ccnc2)c(Cl)c1 33493887 CEZHGMXBIKOTBE-CQSZACIVSA-N 410.142 5.979 0 1 HKAF O=C(COc1ccc(-c2ccccc2)cc1Cl)Cn1ccc2cc(C(=O)O)ccc21 49055240 NGPDFNAJFFBWPO-UHFFFAOYSA-N 419.864 5.308 0 1 HKAF CCSC[C@@H]1C[C@@](O)(c2ccccc2)C[C@H](c2ccc(Br)cc2)O1 49068768 ZEBVEZWCKJNDFY-ZCNNSNEGSA-N 407.373 5.310 0 1 HKAF FC(F)(F)c1cccc(Cn2c(C(F)(F)F)nc3cc(Cl)c(Cl)cc32)c1 82149595 LYYFTZSMCSQGLF-UHFFFAOYSA-N 413.148 6.429 0 1 HKAF CCCCCn1c(-c2cccc(O)c2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187076 QNLYAOGKRIVBLT-UHFFFAOYSA-N 419.504 5.183 0 1 HKAF c1ccc(CCC2(Cn3cnc(-c4ccccc4)c3-c3ccccc3)OCCO2)cc1 89455823 OHKPZJLKLRGXJH-UHFFFAOYSA-N 410.517 5.593 0 1 HKAF COc1cc(Nc2cccn3cc(-c4ccc(F)cc4)nc23)ccc1-n1cnc(C)c1 95578326 FWRMNWUEZKGFJK-UHFFFAOYSA-N 413.456 5.387 0 1 HKAF CCN(CC)C(=O)O[C@H](c1cnccc1C(F)(F)F)c1cccc2ccccc12 103200220 VUUYVYUBSKUCHB-FQEVSTJZSA-N 402.416 5.821 0 1 HKAF CCc1ccc([C@@]2(OC)C=CC(C3CCCCCC3)(C3CCCCCC3)OC2)cc1 103205167 WXZMVCUIQPPEHH-HHHXNRCGSA-N 410.642 7.357 0 1 HKAF Clc1ccc([C@H]2C[C@H]3CC[C@@H](S3)[C@@H]2c2cc(-c3ccccc3)no2)cc1Cl 169335827 KWPJGSRDVFKINU-AJAKECSLSA-N 416.373 7.184 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)ccc2c1O[C@H](c1ccc(O)cc1O)CC2=O 221084409 AODAOPWWTAYHKI-NRESZANFSA-N 408.494 5.745 0 1 HKAF COc1cccc(F)c1[C@@H]1C[C@@H](F)C(=O)N1Cc1ccc2oc3ccccc3c2c1 223038776 YLZAYQGWWQGQAW-MOPGFXCFSA-N 407.416 5.545 0 1 HKAF c1cc2c[n+](c1)CCCCCCCCCCc1ccc[n+](c1)CCCCCCCCC2 238786508 BXHFWYVYBPUIJK-UHFFFAOYSA-N 422.701 6.912 0 1 HKAF C/C=C(/C)[C@H](O)[C@H](C)/C=C(C)/C=C\C[C@@H](C)/C=C\c1oc(OC)c(C)c(=O)c1C 238787965 PIYNCLUPGLBENL-LRYMNXNXSA-N 400.559 5.770 0 1 HKAF COc1ccc(-c2cccc([C@@H]3[C@@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)c2)cc1 253986331 DBKAWFFTGBWKDF-GKRYNVPLSA-N 423.556 6.418 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CCC2=C3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 261524090 UIPYFONRKZTOIY-FWLMRPCWSA-N 400.691 7.779 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](N)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 299808600 WLHQSAYHIOPMMJ-GVVSFCLJSA-N 401.679 6.326 0 1 HKAF CC(C)C[C@H](N)CN(C(=O)[C@@H](C)Cc1ccccc1)c1ccc(-c2ccccc2)cc1 299860016 GGNGUISEUVORTR-NVQXNPDNSA-N 414.593 5.939 0 1 HKAF Oc1cccc(CCCCc2nc3cc(Br)c(Br)cc3[nH]2)c1 586896087 JNTLEIXRWNLYLQ-UHFFFAOYSA-N 424.136 5.359 0 1 HKAF Cc1ccc2c(ccc3nc(-c4cc(Br)ccc4OCCC(C)C)[nH]c32)n1 586982165 SZKQETMVMVJKGP-UHFFFAOYSA-N 424.342 6.274 0 1 HKAF Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c[nH]c1Br 586986164 OGVYMMHRJXNBBM-UHFFFAOYSA-N 405.251 5.218 0 1 HKAF Fc1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1Br 587017812 PTNGCTBVIVPTEQ-UHFFFAOYSA-N 409.671 5.303 0 1 HKAF Cc1ccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2n1 587018758 OAZFVICPTKMQSX-UHFFFAOYSA-N 403.338 6.023 0 1 HKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c2)cc1 587067833 RAQPNRCFOKLJMF-UHFFFAOYSA-N 414.795 5.364 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc2c1 587095461 ZYDUKFOKGVKHLW-UHFFFAOYSA-N 423.154 6.338 0 1 HKAF CC(C)Oc1cc2nc(-c3ncccc3C(F)(F)F)[nH]c2cc1Br 587108135 HUQJNESDLDCGAW-UHFFFAOYSA-N 400.198 5.193 0 1 HKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587111656 AAAGDULZYYHUPY-VIFPVBQESA-N 406.757 6.600 0 1 HKAF CCCCOc1cc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2cc1Br 587114145 WPLHYOOEHSFBAP-UHFFFAOYSA-N 413.237 6.190 0 1 HKAF Cc1c(Br)cc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2c1C 587114645 WJKIZAXQIPVZPC-AWEZNQCLSA-N 412.253 5.204 0 1 HKAF O=C(O)c1ccc(-c2cc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)ccc2F)cc1F 587138446 JBCIIFGNNDPOPQ-UHFFFAOYSA-N 419.309 5.287 0 1 HKAF O=C(O)c1ccc(-c2cc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)ccc2F)cc1F 587138708 RHJJVYMPXPZAGQ-UHFFFAOYSA-N 420.202 5.575 0 1 HKAF Fc1ccc(/C=C(/c2nc3ccc(Br)c(F)c3[nH]2)c2cccs2)cc1 587164693 VIJKDCXHWLQIAE-JLHYYAGUSA-N 417.278 6.254 0 1 HKAF C[C@@H](c1nc2cccc(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199558 IMUKTCYBNNGRIJ-HNNXBMFYSA-N 415.468 5.644 0 1 HKAF CC(=O)[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327466 GOCQCNLCORETQH-JTHBVZDNSA-N 410.828 5.028 0 1 HKAF C[C@]1(c2cc(F)c(F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328001 AEPLYNCMKMVMOV-RBBKRZOGSA-N 418.798 5.737 0 1 HKAF CCCC[C@@]1(CCCCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354985 SEALCWZVFZUTDG-UPVQGACJSA-N 414.473 5.464 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCS2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587376321 WNRXBWPMQMTBOP-ISKFKSNPSA-N 422.477 5.290 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(-c3ccccc3Br)n1)O2 587411089 AVWYTABDKOZNMZ-QGZVFWFLSA-N 415.312 5.170 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C(C)(C)C)[nH]c3c(F)cc(F)cc13)CC2=O 587469672 BREHUJAPMMYABP-LJQANCHMSA-N 413.464 6.108 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C(C)(C)C)[nH]c3ccc(C(C)C)cc13)CC2=O 587483675 NNPFRCLIKKDZAA-HSZRJFAPSA-N 419.565 6.953 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C=C(SC)SC)(c1ccccc1)CC2=O 587489136 AZJGMTQJYLLWME-JOCHJYFZSA-N 400.565 5.773 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1ccccc1C(=O)O)CC2=O 587491878 WLWULLDBCKWVCC-QHCPKHFHSA-N 402.446 5.416 0 1 HKAF O=C1C[C@@](CNc2ccc(Cl)cc2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587498781 GUTWMHZDKWJNJR-AREMUKBSSA-N 417.936 6.192 0 1 HKAF O=C1C[C@H](c2coc3c(Cl)cc(Cl)cc3c2=O)Oc2c1ccc1c2CCCC1 587499042 KQVCPSPPJJYLOL-LJQANCHMSA-N 415.272 5.685 0 1 HKAF O=C1C[C@H](c2cc(Cl)c(=O)n(Cc3ccccc3)c2)Oc2c1ccc1c2CCCC1 587500529 POMKGAJYKSZTOG-HSZRJFAPSA-N 419.908 5.135 0 1 HKAF C[C@]1(c2ccc(Oc3ccc(Cl)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587503575 VHYBKQASGWOXOK-AREMUKBSSA-N 418.920 6.892 0 1 HKAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1OC(F)F 587505462 LDUHRWQVCXYENX-KRWDZBQOSA-N 408.828 5.535 0 1 HKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(C(F)(F)F)cc(Cl)cc12 587510589 WEDFPOHWOYWDMX-HXUWFJFHSA-N 421.802 5.050 0 1 HKAF Cc1nc(-c2ccc(O)cc2)sc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587530199 DFIBBRIPFOKUNQ-DEOSSOPVSA-N 405.519 5.584 0 1 HKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Br 587537705 AQODXWYTVGRFDR-RXVVDRJESA-N 411.251 5.166 0 1 HKAF CCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1Br 587620437 BZQHRKTUEDOWLS-UHFFFAOYSA-N 419.120 5.799 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ncc2C(F)(F)F)N1 587714332 PKCSMUOFBQHFFW-KWKYVRJSSA-N 423.635 5.279 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)ccc(F)c2Cl)N1 587719180 KPZMKDUSZHTTDQ-RBHXEPJQSA-N 421.112 5.832 0 1 HKAF COc1cccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587758317 WOXSCAWGIUMMHC-ZSEKCTLFSA-N 415.306 5.011 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)O[C@H](C)c2ccccc2)N1 587788908 ATYZFFKKKJHVCJ-ZMOMAAQPSA-N 420.322 5.032 0 1 HKAF CCO[C@H](C)c1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587794728 POEZXCMRXIDEIT-LKBUQDJMSA-N 406.339 5.483 0 1 HKAF COc1ccc2c(c1)[C@H](C)[C@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587808426 NVQQSWDRRZNGLF-BHVCSQLQSA-N 404.323 5.076 0 1 HKAF COc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 587827506 JTRFFJUVKOTTGE-QKVFXAPYSA-N 416.290 5.480 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2c(s1)CCCC2 587861857 WVQUWEBIBKBMSE-UHFFFAOYSA-N 421.349 5.884 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2c(Cl)cccc2s1 587871853 FBEFHEMZOHWBKZ-UHFFFAOYSA-N 400.862 5.645 0 1 HKAF O=C(c1cc(-c2cccs2)nc2ccccc12)n1nc2cc1Oc1ccc(F)cc1-2 587875689 GMOQGDVXINWMKB-UHFFFAOYSA-N 413.433 5.760 0 1 HKAF CC(C)Oc1cc(-n2c(O)cc(-c3ccccc3Cl)c2O)c(Cl)cc1Cl 587943406 ZRANGXNFNNMZRX-UHFFFAOYSA-N 412.700 6.303 0 1 HKAF Cc1cccc(C)c1-c1cccc(COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)c1 653689051 TVFADQUBMFZJSZ-QFIPXVFZSA-N 417.530 5.444 0 1 HKAF Cc1ccccc1-n1nc(C)c([C@@H]2c3ccsc3CCN2Cc2ccco2)c1C 962707711 OAJBHJPDFGHGGO-DEOSSOPVSA-N 403.551 5.600 0 1 HKAF Cc1sc2c(c1C)CCN[C@@]2(c1ccc(Br)c(F)c1)C1CCCC1 963018220 FHEOUVABSDTTTE-HXUWFJFHSA-N 408.380 5.846 0 1 HKAF CCCOc1ccc([C@]2(c3ccc(C)nc3)c3ccccc3C[C@@H](C)N2CCC)cc1 963226214 GXTBCINLYINJHU-DFHRPNOPSA-N 414.593 6.127 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1ccc(-c2ccc(C)cc2Cl)cc1 963244596 WRNUSCGYZQKVGT-CCLHPLFOSA-N 403.997 7.236 0 1 HKAF COc1c(-c2ccccc2)cc(OC)c2c1oc1c3c(c(O)cc12)OC(C)(C)C=C3 1857574198 QZCAIMSZIHYOSU-UHFFFAOYSA-N 402.446 6.160 0 1 HKAF C(=C[C@H]1CCCN1Cc1ccccc1)CCCN1CCC2(CC1)NCc1ccccc12 1857622843 LSDFJSYOCQOIOD-SANMLTNESA-N 415.625 5.082 0 1 HKAF CC(=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)CC(C)C 2356510484 BGSMFVUPLGHSLT-OMFSDFRDSA-N 400.691 7.635 0 1 HKAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@H]3C=CN(CCS(=O)(=O)O)C=C3CC[C@@H]12 2356786291 ZSXBODHKEIZAKH-XTUPKSGUSA-N 407.620 5.246 0 1 HKAF CC(C)C=CCC=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356792140 JJDHLKGFUBGROW-HOIKMHIUSA-N 410.686 7.721 0 1 HKAF CC(=O)OC[C@H](C)[C@@H]1CC[C@@]2(C)O[C@H]1C=C(C)CCC=C(C)CC[C@H]2OC(C)=O 2356794536 HZKSNOGDILDBEM-OTGYPNLISA-N 406.563 5.138 0 1 HKAF COc1ccc(-c2cccc([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c2)cc1 13661975 DBKAWFFTGBWKDF-HPUNYJORSA-N 423.556 6.418 0 3 HKAF Cc1[nH]c2ccccc2c1[C@H]1Cc2ccccc2N1C(=O)/C=C/C=C/c1ccccc1 1623008 OYVODWJYQVPYKM-KEBQYVGXSA-N 404.513 6.376 0 1 HKAF CC[C@H]1Cn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc(c32)N1CC(C)C 13672711 CKNACMOBZNQVQB-HNNXBMFYSA-N 403.357 5.968 0 1 HKAF O=C(CC1CCN(Cc2ccc(F)cc2)CC1)NC(c1ccccc1)c1ccccc1 13780922 QUXIGJBRICTBKX-UHFFFAOYSA-N 416.540 5.334 0 1 HKAF C[C@@H](C(=O)OCCc1ccccc1)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 13888248 YMNUQLHCSOVTHI-UIFIKXQLSA-N 408.563 5.671 0 1 HKAF COc1ccc2c(c1CC=C(C)C)O[C@@H]1c3ccc(O)c(CC=C(C)C)c3OC[C@]21O 14781021 XOWMUIMFYAHWQD-FTJBHMTQSA-N 422.521 5.132 0 1 HKAF biogenic Cc1ccc(OCc2ccccc2)c([C@@H](CCN2C[C@H]3C[C@H]3[C@@H]2C)c2ccccc2)c1 28474964 RMIOCWSMLOFBIC-MKKUMYSQSA-N 411.589 6.436 0 1 HKAF COC(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 39242675 KJWXRQYNWDVHBK-FQEVSTJZSA-N 403.261 6.079 0 1 HKAF COc1cc2c(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)[C@@](C)(C(F)(F)F)CC2 40918842 GBVQHYZYTIYQSZ-PMVMPFDFSA-N 418.503 5.044 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4ccc(NC(=O)[C@@H](C)CN(C)C)cc4)cc3)nc12 45229851 XNAFPXUZURCWAG-SFHVURJKSA-N 412.537 5.342 0 1 HKAF C[n+]1cc(N(CCCCCC2CCCCC2)c2ccccc2Cl)cc2ccccc21 66166385 AUQSDKIHAOMMSQ-UHFFFAOYSA-N 422.036 7.597 0 1 HKAF c1ccc(-c2nc3c(NC4CCCCCC4)ncnc3n2CCc2ccccn2)cc1 82188030 JUWVTYJJCYMITN-UHFFFAOYSA-N 412.541 5.266 0 1 HKAF CN1[C@H]2CC[C@@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2c1nc(-c2ccc(Cl)cc2)no1 84519293 WIOSJRNBAZNBKL-ZRNYENFQSA-N 414.336 5.777 0 1 HKAF O=c1c(CNc2nc3ccccc3[nH]2)cn(-c2ccccc2)c2cc(Cl)ccc12 96170267 FXEYRCCJGDWFMZ-UHFFFAOYSA-N 400.869 5.133 0 1 HKAF COc1cc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)cc(OC)c1OC 98208216 ZDYXRELDNKSUBF-UHFFFAOYSA-N 424.428 5.412 0 1 HKAF in-vitro O[C@@]1(c2cccc(Cl)c2Cl)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12 101185047 UTSZTPIAGJECRH-MFKICJERSA-N 401.337 5.489 0 1 HKAF CC1=NNC(=O)[C@H]1[C@@H](c1c[nH]c2ccccc12)c1c(-c2ccccc2)[nH]c2ccccc12 103157444 RSYSQPQKFAIVBB-DNQXCXABSA-N 418.500 5.570 0 1 HKAF COC(=O)CCC/C=C\C[C@H]1C(=O)CC[C@@H]1c1ccc([C@H](O)C2CCCCC2)cc1 117778585 JBOFLWFXLZLMCS-SUUUBZGCSA-N 412.570 5.653 0 1 HKAF FC(F)(F)c1c(CN2CCC[C@H](c3ccccc3)C2)ccn2c(CC3CC3)nnc12 139947494 CJKRWAYCCMUCCB-SFHVURJKSA-N 414.475 5.080 0 1 HKAF Oc1cccc(-c2nc3ccccc3nc2C2CN(c3ccc4ccccc4n3)C2)c1 140112158 SPRYWRHFHPFKKH-UHFFFAOYSA-N 404.473 5.154 0 1 HKAF O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cccc(N3CCCCC3)n2)c1 140790656 WTZBQRKRMSBFEP-UHFFFAOYSA-N 406.917 6.036 0 1 HKAF CC(C)NC[C@@H](O)COc1c(C(C)(C)C)cc(-c2cccs2)cc1C(C)(C)C 169318970 QSBRSBDKMNKTQB-GOSISDBHSA-N 403.632 5.748 0 1 HKAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)O[C@H]3CC[C@@H](C)CC3)CN(C)[C@@H]1C2 169351010 PRLKDWJIMFKGSZ-CQANJVQSSA-N 408.586 5.304 0 1 HKAF CSc1ccccc1[C@H]1Nc2cc(C)ccc2N=C2CC3(CCCC3)CC(=O)[C@@H]21 169722054 SAJQIPOBQLKYTB-DNQXCXABSA-N 404.579 6.496 0 1 HKAF C/C=C(/C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255235262 MMFZLVUIFVOBLE-IEPKYAQMSA-N 412.702 7.945 0 1 HKAF COc1cc(Cn2c3ccccc3c3cc(C=O)ccc32)cc2c1[nH]c1ccccc12 473152877 WMUBKHLSUBVXQM-UHFFFAOYSA-N 404.469 6.298 0 1 HKAF CC(C)CCOc1ccc(Br)cc1-c1nc2ccc3ncccc3c2[nH]1 586981736 NHAUEGZPXOJIQA-UHFFFAOYSA-N 410.315 5.966 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(F)c(Cl)cc4Cl)nc13)-c1ccccc1C2=O 586994663 BCSPICRWFUXTNF-UHFFFAOYSA-N 408.259 6.868 0 1 HKAF Cc1ccc2c3c(cc(CCc4ccc(OC(F)F)cc4)nc13)-c1ccccc1C2=O 586994959 GSQVBKMHPYVOMG-UHFFFAOYSA-N 415.439 6.141 0 1 HKAF Cc1cc2c(Br)ccc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c2o1 587003300 IIHQOIAZKDFYGP-UHFFFAOYSA-N 407.170 5.369 0 1 HKAF Fc1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c(F)c1F 587010598 DFONQORFBMLWFB-UHFFFAOYSA-N 416.449 6.747 0 1 HKAF Cc1cnc(Cl)c2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc12 587011678 QMCPHJBQHOHQLU-UHFFFAOYSA-N 411.939 6.687 0 1 HKAF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)s1 587013815 CICWUWDIUAWTRM-ZDUSSCGKSA-N 420.563 6.369 0 1 HKAF Cc1c(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029343 MRAXVAUNMXWFKQ-UHFFFAOYSA-N 414.490 5.505 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587035281 ULMXYYIOZFJRKU-JTQLQIEISA-N 421.419 5.605 0 1 HKAF c1ccc2sc(-c3ccc4nc([C@H]5SCCc6sccc65)[nH]c4c3)nc2c1 587036761 MOLTUIQJAAAEDK-IBGZPJMESA-N 405.573 6.280 0 1 HKAF Cc1ccc(Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1C(F)(F)F 587095482 GLXLNQGLGSKMMU-UHFFFAOYSA-N 423.463 6.758 0 1 HKAF COc1ccc(Br)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587102498 VUCWCURPCZUGHH-UHFFFAOYSA-N 416.274 5.884 0 1 HKAF CC(C)(C)OC(=O)N1CCC[C@H]1c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104804 JQXUYQBFQISBPB-NRFANRHFSA-N 400.478 5.518 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(F)c(F)c(F)c3[nH]2)c(Cl)c1 587159063 LVQAOQLZTGDVAK-IBGZPJMESA-N 406.766 5.941 0 1 HKAF Fc1ccc(-c2cn3c(Cc4nc5cc(Cl)cc(F)c5[nH]4)csc3n2)cc1 587165720 AWZORZKDRIUBFI-UHFFFAOYSA-N 400.841 5.462 0 1 HKAF C[C@]1(c2cnn(C3CCCC3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344273 WYTUATDMNIUJAC-LADGPHEKSA-N 406.457 5.117 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2nc(Cl)ccc2CC3)c1 587358386 APCSVHAWRTUEMI-UHFFFAOYSA-N 412.876 6.471 0 1 HKAF CCOC(=O)C1(c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)CCC1 587364127 XGPAYUYQDYQFCD-UHFFFAOYSA-N 401.462 5.641 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](c2ccccc2)C3)c1 587367445 QNUXQEANTRHGIU-LJQANCHMSA-N 405.497 6.929 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(C)cc1 587399802 MJAXTTAJWWZJDE-DEOSSOPVSA-N 403.478 5.180 0 1 HKAF CCc1ccc(Nc2ncc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)s2)cc1 587449703 GPVZWYWCNWGQPP-HXOBKFHXSA-N 406.507 5.121 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(OC)cc1Cl)CC2=O 587461030 IYFHQEWVSXNRHM-VWLOTQADSA-N 422.908 5.916 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(Cl)s1)CC2=O 587489294 CDZXOQUEJGFRIS-CYBMUJFWSA-N 401.709 5.529 0 1 HKAF O=C1C[C@](c2ccc(Cl)cc2)([C@@H](O)c2ccccc2)Oc2c1ccc1c2CCCC1 587501635 PLWKDSXZDYXTJM-UIOOFZCWSA-N 418.920 5.813 0 1 HKAF O=C1C[C@@](c2cccnc2)(c2c(F)cc(F)cc2F)Oc2c1ccc1c2CCCC1 587505721 MKTOEAIWRAVRNJ-XMMPIXPASA-N 409.407 5.287 0 1 HKAF CN(C)/C=C\[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587507447 MFMLTEZKZXHMDS-FRHQNKJESA-N 415.455 5.520 0 1 HKAF O=C1C[C@]2(CCC[C@H]2c2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587508266 OJCSCQLQPMEBJL-REWPJTCUSA-N 400.440 6.256 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1ccc(Cl)cc1 587545002 FXSHUMCJNWTREV-XXBNENTESA-N 418.836 5.139 0 1 HKAF C[C@]1(c2ccc(C(F)(F)F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549855 SCFGCDAHRXADNT-GHTZIAJQSA-N 418.342 5.427 0 1 HKAF Cc1cc(Cl)cc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nc12 587552370 QUZSYUAOWCVGIH-HYBUGGRVSA-N 417.848 5.605 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1CC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604209 VGJJWHKYWMDNIU-KCVHQNEMSA-N 406.522 6.275 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(C3C(=O)CC(C)(C)CC3=O)c2c1 587643154 RYROKOILDWKAFA-HNNXBMFYSA-N 405.513 6.529 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(C(F)(F)F)c2)N1 587709859 BMHIROTVCFFRCM-BTDLBPIBSA-N 402.229 5.405 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccc(F)cc12 587736777 WWCHCFNOPIVNTI-YTEVENLXSA-N 412.277 5.534 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2N2CCCCC2)N1 587769641 YTKFWCXSOBFOOH-QKKBWIMNSA-N 403.339 5.202 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@H](C2)N3c2ccccc2)N1 587771449 SVBVNGCGAZEDEW-LGMYAUFKSA-N 415.350 5.149 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cccnc3)cc2)N1 587778411 MYWQDVIFNHJXII-YEJXKQKISA-N 413.290 5.399 0 1 HKAF FC1(F)Oc2cc3nc(/C=C/c4ccc(OCc5ccccc5)cc4)[nH]c3cc2O1 587785177 XXBDBBKEDNWVEP-DHZHZOJOSA-N 406.388 5.634 0 1 HKAF COc1ccc([C@@]2(C(C)(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587808423 NUPXEWVQBZMDKZ-LRTDBIEQSA-N 406.339 5.421 0 1 HKAF CCc1cc(CC)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(CC)c1 587821732 XHAMBQLRFNMIBA-DMZKTXOQSA-N 404.367 5.899 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc([C@@H]3CN4CCC[C@H]4CO3)n2)cc1 587923065 LSTMLLNQCJHMOL-UWJYYQICSA-N 419.525 5.633 0 1 HKAF COc1cc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2cc1C 587949175 PRTKVGAOYLFFKF-SDWUMEBZSA-N 420.553 6.165 0 1 HKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587952374 PQWHYPFYZLPMPL-HCKVZZMMSA-N 408.386 6.647 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(CCCCCCCCCCCCC(=O)O)nc2c1 587956403 AINZBRIUECDZJN-UHFFFAOYSA-N 422.953 5.921 0 1 HKAF Cc1sc2c(c1C)CCN[C@@]2(c1ccccc1)c1cccc(CN2CCCC2)c1 963019426 HEUHNEMYEKDKOD-SANMLTNESA-N 402.607 5.398 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CCCc1ccccc1)c1ccc(F)cc1 963638767 UXLLJKVAFAVNHM-PPHZAIPVSA-N 419.540 5.644 0 1 HKAF Oc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c2Cc2cc(O)ccc2-3)cc1 1857544002 SUWUFTKSNCCEPV-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF CC(C)[C@@]1(C)C[C@@H]1C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356408473 GYEFHOQTNWOKKR-MPCLZNJLSA-N 412.702 7.635 0 1 HKAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@@H]1[C@@](C)(COC(=O)C(C)C)CCC[C@]12C 2356459731 XDWAWFACGNSUSS-HKNOCEQDSA-N 420.590 5.219 0 1 HKAF O[C@@H]1C=CC[C@@](O)(CCCCCCCCCCCC=CCCCc2ccccc2)C1 2356695001 PWMTUNFJUOXOCX-IZLXSDGUSA-N 412.658 7.299 0 1 HKAF CCCCNc1c(-c2cccc(-c3cc(C(C)=O)cs3)c2)nc2cc(C)ccn12 36382350 AMWVHMFYUHSNOK-UHFFFAOYSA-N 403.551 6.453 0 3 HKAF COc1ccc(-c2coc3c(C(=O)NCc4ccc(F)c(F)c4)cccc23)c(C)c1 61904270 ZVTHHXKAFSAMLW-UHFFFAOYSA-N 407.416 5.625 0 3 HKAF Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2nc(-c3cccs3)ccc12 660289 HNEYMPCWMZZFMW-UHFFFAOYSA-N 403.891 5.652 0 1 HKAF COc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NCc1ccccc1 775385 MCQRBPVXQILGSU-UHFFFAOYSA-N 402.425 5.086 0 1 HKAF O=C(NCc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)cc1F 2480212 BFTNXPGODWDTMY-UHFFFAOYSA-N 424.834 5.870 0 1 HKAF C[C@@H](N1CCCCC1)n1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21 14959535 PKKXBJRIYZNEPX-SFHVURJKSA-N 400.501 5.909 0 1 HKAF COc1cc2c(c3c1C[C@@H](c1ccc(O)c4c1OC(C)(C)C=C4)CO3)C=CC(C)(C)O2 15262071 TXLYFPIMCNBCFX-OAHLLOKOSA-N 420.505 5.488 0 1 HKAF biogenic COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(-c3ccncc3)cc2)cc1 26187275 DWTOPQWQKBKHLY-UHFFFAOYSA-N 423.472 5.262 0 1 HKAF C[C@]12CC[C@H]3[C@H](CC[C@H]4Cc5oc(C(=O)C(F)(F)F)cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 27417589 BHPRNKARHZGVNR-IOARXWTBSA-N 410.476 5.343 0 1 HKAF CCN(CC)CCC[C@@H](C)Nc1nc(-c2ccc(C)cc2)cc(-c2ccc(O)cc2)n1 28530650 QSNUOXILMAMYIH-HXUWFJFHSA-N 418.585 5.747 0 1 HKAF C[C@H](Oc1ccc(-c2ccc(Oc3cnc4ccc(Cl)cc4n3)cc2)cc1)C(=O)O 29475241 YJJRBYVKYCBTCT-AWEZNQCLSA-N 420.852 5.594 0 1 HKAF CC1=C(CCC(C)C)OC[C@]23CC[C@H]4[C@@H](CC[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]2CC[C@H]13 40872277 FWDWUWPIWNWLFQ-ZWQSCVCHSA-N 400.647 6.727 0 1 HKAF biogenic O=C1/C(=C\c2cccc3ccccc23)c2ccccc2N1c1c(Cl)cccc1Cl 40943545 BEHNMIILUNLZOJ-HKWRFOASSA-N 416.307 7.366 0 1 HKAF CCCN(CCc1ccc(O)cc1)C(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 43075162 MGHIXPKFVULGHX-HXUWFJFHSA-N 415.533 5.208 0 1 HKAF Cc1cccc([C@](O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c1 49071934 OAMPPCVFRKPEBQ-NRFANRHFSA-N 400.375 5.271 0 1 HKAF O=c1c2ccccc2sn1[C@@H](Cc1ccccc1)c1nnc(-c2cccc(F)c2)o1 68205592 OVBIHZQBCFSSJC-IBGZPJMESA-N 417.465 5.084 0 1 HKAF O=C(c1ccc(-c2ccccn2)s1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1 71335439 HFFLQUJDKJPLGQ-NRFANRHFSA-N 410.502 5.197 0 1 HKAF COc1cc(/C=C/[N+](=O)[O-])c(/C=C/c2ccc(-c3ccccc3)cc2)c(OC)c1OC 72123446 KVPVEISBPHUJCH-LPVXAABHSA-N 417.461 5.797 0 1 HKAF CC1=Nc2ccc(Cl)cc2[C@@H](c2ccccc2)N1CCNC(=O)Cc1ccccc1 72124922 DRAZUEOWMJIATC-RUZDIDTESA-N 417.940 5.154 0 1 HKAF O=C(c1cccc(F)c1)N1CCc2sccc2[C@H]1c1ccc(C(F)(F)F)cc1 84671150 RAAXSWOQEJHVFO-LJQANCHMSA-N 405.416 5.694 0 1 HKAF COc1ccc(-c2scc3c2CCOC32CCN(Cc3ccccc3)CC2)cc1 95555493 HUYGISWFIHJNNH-UHFFFAOYSA-N 405.563 5.488 0 1 HKAF NC(=O)c1ccc2c(c1)OCCc1cc(-c3n[nH]cc3-c3ccccc3Cl)sc1-2 95585357 XCYRFSCCDMLRDP-UHFFFAOYSA-N 421.909 5.159 0 1 HKAF Cc1c(OCCCCCN2CCCCC2)ccc2c(=O)cc(-c3ccccc3)oc12 96271281 FEBATDALCUAQCM-UHFFFAOYSA-N 405.538 5.803 0 1 HKAF OC1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@@H](C1)N2Cc1coc2ccc(F)cc12 101185550 CYOBJTAQBGDFGU-IRXDYDNUSA-N 420.311 5.893 0 1 HKAF Brc1ccc2cc(/C=C/c3cc4ccc(Br)cc4[nH]3)[nH]c2c1 103259903 HJQFJXBBKTVOGD-AATRIKPKSA-N 416.116 6.345 0 1 HKAF CCCCCCC(C)(C)/C=C\C/C=C\C/C=C/C/C=C\CCC(=O)OC(CO)CO 169319929 ZFZHZEMVBQJUNT-USAHXWNRSA-N 420.634 6.055 0 1 HKAF C[C@@H]1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)C1 169706650 ZYWWOSQDTRVQQC-MRXNPFEDSA-N 413.529 5.079 0 1 HKAF CC(=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O[C@@H]1CCCCO1 211565929 YJOOXYSHYORGHI-GDJBHYNZSA-N 416.602 5.325 0 1 HKAF C[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(Br)cc1F 253994807 CIPDVFAPNIGCCR-PZQWHJIPSA-N 414.318 5.500 0 1 HKAF CCCCCCN(c1ccc(O)cc1)c1ccc(OCCN2CCCCCC2)cc1 299856061 HHZUJCUVBKYGLR-UHFFFAOYSA-N 410.602 6.365 0 1 HKAF O=C1CCC[C@@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CC1 586885003 UMROMUJSYCBQFJ-OAHLLOKOSA-N 413.315 5.521 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2ccc(SC)cc2[nH]1 586982403 VNEHLWCTCXQOCS-UHFFFAOYSA-N 419.388 6.673 0 1 HKAF O=C(O)c1ccc2c(c1)CCCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586992194 ZDEYNOPTTDRUFU-UHFFFAOYSA-N 407.425 5.006 0 1 HKAF O=c1ccc(-c2nc3ccc4ncccc4c3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587055010 JUDWKDMAVXDQNY-UHFFFAOYSA-N 421.287 5.295 0 1 HKAF Clc1ccccc1OCCn1c(-c2nc3c(Cl)ccnc3[nH]2)cc2ccccc21 587064002 ILNYLWOCVPNBRR-UHFFFAOYSA-N 423.303 5.965 0 1 HKAF Clc1ccc(-c2ccc(-c3nc4cc(OCc5ccccc5)ccc4[nH]3)cc2)nn1 587086762 DUSJPXZQHRWOEK-UHFFFAOYSA-N 412.880 5.919 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@](F)(Cl)C(F)(F)F)[nH]c3c2)cc1 587090831 ZCDJWHLTSZECHS-MRXNPFEDSA-N 402.731 5.065 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(N5CCCC5)ccc4N)nc13)-c1ccccc1C2=O 587097823 QFJMKWZBIHOKIC-UHFFFAOYSA-N 405.501 5.604 0 1 HKAF CCOc1cc(/C=C\c2nc3cccc(OC(F)(F)F)c3[nH]2)ccc1OC(F)F 587129761 FYXFENASHINVON-CLFYSBASSA-N 414.330 5.632 0 1 HKAF Fc1cc(Br)c(Cl)cc1-c1nc2ccc(F)c(Br)c2[nH]1 587136779 MRPXAMJBEYDGRL-UHFFFAOYSA-N 422.454 5.687 0 1 HKAF Fc1ccc2[nH]c(-c3nc4c(Cl)c(Br)cnc4[nH]3)c(Cl)c2c1 587174113 MOSUADGYUJVGRT-UHFFFAOYSA-N 400.038 5.315 0 1 HKAF O=C1c2ccccc2-c2cc(COc3ccc4ccc(=O)oc4c3)nc3cccc1c23 587209506 QDHSAURBMSMBPH-UHFFFAOYSA-N 405.409 5.132 0 1 HKAF Cc1cccc2c3c([nH]c12)[C@]1(CC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349731 VOOASBFWLOOYLN-ATIYNZHBSA-N 413.448 5.522 0 1 HKAF CCCC[C@H](C(=O)OCC)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587363333 RBMIHNDZBQSQHX-IBGZPJMESA-N 417.505 6.494 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](Cc2ccccc2)CC3)c1 587366838 NKVUOQRFTPTHCE-HXUWFJFHSA-N 405.497 6.929 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(Cl)ccc(Cl)c21 587380661 WXNYMSDRNSSAER-QHCPKHFHSA-N 424.283 5.337 0 1 HKAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1ccc(C)cc1 587399962 OFLPQVHJXFPGEJ-HSZRJFAPSA-N 403.478 5.180 0 1 HKAF Cc1cc(C)c([C@@]2(c3ccc(C(=O)O)cc3)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587408558 PJVOUYCKKDVYQW-SANMLTNESA-N 415.489 5.110 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC(C)C)(c1cccc(Br)c1)CC2=O 587457972 OWGVSSVDMKKNEN-QFIPXVFZSA-N 417.343 6.014 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccccc3)cc1OC)CC2=O 587482679 UYJFSOMBWGYVOF-VWLOTQADSA-N 418.489 5.639 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccccc2O[C@H]1c1ccccc1 587484709 HUACJRUDOWMVGM-IZZNHLLZSA-N 414.457 5.065 0 1 HKAF CCOC(=O)[C@H](CC(C)C)n1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512209 LZBLTPJLPMRIOP-JTHBVZDNSA-N 409.526 5.224 0 1 HKAF O=C1C[C@@](c2ccc(-c3ccccc3)cc2)([C@@H]2CCCO2)Oc2c1ccc1c2CCCC1 587535107 IPQDSOPKNXSYDU-LMSSTIIKSA-N 424.540 6.272 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ccnc(Cl)c2c1 587551515 GEKXJHNCEAXLIZ-SIKLNZKXSA-N 403.821 5.297 0 1 HKAF CCCc1ccc([C@]2(C(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587599533 GMSMYGBFRHFFHH-OZXSUGGESA-N 402.490 5.858 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@@H]2Cc1ccccc1 587602506 IFXJMIPONHQCIU-FRPAHBMMSA-N 400.474 5.526 0 1 HKAF Cc1ccccc1-c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587603450 OSMOLWHHHYRPQU-RPLLCQBOSA-N 408.453 6.071 0 1 HKAF O=C(c1c(-c2ccc(Br)cc2)[nH]c2ccc(F)c(Cl)c12)C(F)F 587629733 ZNIOVPWWMPXSJV-UHFFFAOYSA-N 402.597 5.838 0 1 HKAF CCOC(=O)c1[nH]c2ccc([C@@H](C)CC)cc2c1C(=O)c1cc(Cl)ccc1Cl 587640237 GMDAKZHFUIOQFK-LBPRGKRZSA-N 418.320 6.396 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(Cl)c(Cl)c2)N1 587694297 LDOIXGJTAHSTDX-YPMLDQLKSA-N 417.149 5.887 0 1 HKAF COc1ccc(C(F)(F)F)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587713703 UKBVJJPTPSHETM-XLFHBGCDSA-N 418.228 5.239 0 1 HKAF COc1ccc(Cl)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F 587718549 NIRYNBNKQDAOIY-QPFGOUBPSA-N 402.666 5.013 0 1 HKAF COc1cccc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587758326 WPWVZCCUYDAJQM-ASSNKEHSSA-N 415.306 5.011 0 1 HKAF COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)(C)C 587808113 OZPRMBCIFPRHMQ-XMHCIUCPSA-N 420.366 5.692 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC/C2=C/c2cccs2)N1 587852622 MDRFEAVLCFUOQD-WMJPKOOMSA-N 406.364 6.037 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CNc1ccccc1C 587859237 UCWQFJHWWARSLH-UHFFFAOYSA-N 404.297 5.316 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1ccc(Cl)cc1Cl 587864543 OTCMKEMBDYWVBG-UHFFFAOYSA-N 415.242 6.323 0 1 HKAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(Br)c(C)c(C)c2[nH]1 587926948 MHGUSWIFSQDGCO-AWEZNQCLSA-N 403.320 5.501 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c(/C=C/c3cccc4ccccc34)nc2c1 587969018 PLRSKPBTPKHVEH-CMDGGOBGSA-N 417.228 6.668 0 1 HKAF Cc1cc2c(cc1F)[C@@](Cc1ccccc1Br)(c1ccco1)NCC2 962092241 MEMPNFSGWLUCCC-NRFANRHFSA-N 400.291 5.122 0 1 HKAF Cc1ccc(C)c(-n2ccc([C@H]3c4ccsc4CCN3Cc3cccn3C)c2)c1 962373541 MWONJQSOLGQNRZ-VWLOTQADSA-N 401.579 5.642 0 1 HKAF Cc1ccc(N)c([C@@]2(c3ccccc3)c3ccsc3CCN2Cc2cccn2C)c1 962402344 ZJDDTKDAUDVANI-AREMUKBSSA-N 413.590 5.327 0 1 HKAF COc1ccc2c(c1OC)[C@@](c1ccc(Cl)cc1)(c1ccccc1C)N(C)[C@@H](C)C2 962568902 LLACHXBTGDSIMO-HFJWLAOPSA-N 421.968 5.834 0 1 HKAF Cc1ccc(C)c([C@@]2(C3CC3)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962641074 NEQGFQIDSADXGR-LITSAYRRSA-N 408.589 5.704 0 1 HKAF C[C@@H]1N(Cc2ccccc2)CCC[C@]12c1cccc(F)c1CCN2[C@H]1CCSC1 962718019 XIKFNCOIBCMURJ-QYXIYQDXSA-N 410.602 5.069 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](Cc2ccccc2Cl)(c2csc(C)c2)N1 962945161 IZIIMJNPKXEICI-KBMIEXCESA-N 421.009 6.602 0 1 HKAF CN1C(=O)C[C@@H]2CN[C@H](c3ccc(OCc4ccccc4Cl)cc3)c3cccc1c32 963015808 BGAPEANNNFVDKH-IQGLISFBSA-N 418.924 5.062 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]21C=C(c2ccccc2Cl)Oc2ccccc21 963097844 NTEJYVBWZROHHH-AFMDSPMNSA-N 417.911 6.177 0 1 HKAF O[C@H]1CN(C[C@@H](F)CCc2ccccc2)CCc2cc(OCc3ccccc3)ccc21 1857605097 ZIRKQVXERSGPJJ-IGKIAQTJSA-N 419.540 5.128 0 1 HKAF CC(=O)OCC1=C[C@H](OC(=O)C=Cc2ccccc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c1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)n1 6783239 FWJIOVWYLXDCDZ-FGZHOGPDSA-N 419.550 5.027 0 1 HKAF C[C@H](COC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2O)cc1)CC(C)(C)C 13603834 NFILBRWXGOPTRA-IBGZPJMESA-N 402.534 6.955 0 1 HKAF COc1c(O)c(C(C)=O)c(OCc2ccc(C(=O)c3ccccc3)cc2)c2ccoc12 13682319 YUUWUJYKCMALTL-UHFFFAOYSA-N 416.429 5.160 0 1 HKAF Cc1ccc2c(c1NC(=O)C(C)(C)CCCCCCOCC(C)C)OCCC2=O 13742725 FNWRWFWSYGWTJV-UHFFFAOYSA-N 403.563 5.548 0 1 HKAF O=C(NCCCCN1CCC2=C(CCc3ccccc32)C1)c1ccc2ccccc2c1 28459998 RYRLCYVIEUDLTP-UHFFFAOYSA-N 410.561 5.456 0 1 HKAF COC(=O)[C@H](Oc1cccc2ccccc12)c1ccc(Oc2ccc(Cl)cc2)cc1 39242706 OZADIPDUXCBMIV-XMMPIXPASA-N 418.876 6.579 0 1 HKAF C[C@]12CCC(=O)C(OC(=O)c3ccccc3)=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 40720013 XSTJMWXLFJJPNE-BUIQJFRMSA-N 406.522 5.272 0 1 HKAF CNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(C(C)(C)C)c4)[nH]c3c2)ccn1 40895948 DQBWGNBCCGPECC-UHFFFAOYSA-N 415.497 5.151 0 1 HKAF Cc1cc(OCC(F)(F)c2cc(C)ccn2)cc(C(=O)N(CC(C)C)CC(C)C)c1 66077605 BFIRMQAPQFMCRG-UHFFFAOYSA-N 418.528 5.623 0 1 HKAF CC(C)(C)c1ccc(CN[C@H]2CCCC[C@@H]2NCc2ccc(C(C)(C)C)cc2)cc1 66078076 XAOMNBYDYCCLKS-UIOOFZCWSA-N 406.658 6.472 0 1 HKAF CCOC(=O)C(C)(C)[C@H](c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1 72118123 GJYCFJGZPVJOKR-DEOSSOPVSA-N 413.521 5.959 0 1 HKAF in-vitro Cc1cc2c(c(C(C)(C)C[C@@](O)(Cc3cc4ccccc4[nH]3)C(F)(F)F)c1)OCC2 73179929 USMFOMVHIKQVEN-QHCPKHFHSA-N 417.471 5.615 0 1 HKAF CC[C@H](C)NC(=O)c1cnc(NCC2CC2)nc1-c1ccc(-c2ccccc2)cc1 82154056 AIDPBDSQWGWNLN-KRWDZBQOSA-N 400.526 5.161 0 1 HKAF O[C@@H](CSc1ccc2ccccc2c1)Cn1c(-c2ccccc2)cc2ccccc21 84688924 QTYANEFQZLWTSR-XMMPIXPASA-N 409.554 6.615 0 1 HKAF Cc1cc(C)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1C 95576949 ZQVTVBLIJQMUIL-UHFFFAOYSA-N 413.521 5.428 0 1 HKAF COc1ccccc1-c1[nH]c2ccccc2c1Sc1cc(OC)c(OC)c(OC)c1 95593898 ICEYVFXMFLREQI-UHFFFAOYSA-N 421.518 6.021 0 1 HKAF FC(F)(F)c1ccc(-c2n/c(=N\Cc3cccnc3)sn2-c2ccccc2)cc1 101506388 UBBMRRIDMGBAAP-LHLOQNFPSA-N 412.440 5.116 0 1 HKAF CN1CCC(Oc2ccc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)cc2)CC1 103242618 UDLZCSLEOMSYHY-UHFFFAOYSA-N 420.940 5.732 0 1 HKAF Cc1ccc([C@H]2C3=C(O)CCCC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 103939794 YGSOMTCDVAQUQP-SANMLTNESA-N 408.501 6.465 0 1 HKAF CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc(C)c2[nH]ncc2c1)c1ccccc1 114546259 NLSOBACAJNFWFZ-RKAYHTRNSA-N 408.501 6.338 0 1 HKAF CC(/C=C/C=C(\C)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1)=C\C=C\C=C(C)\C=C\CO 145197351 OOJOUQLXWXASLN-FZMSARFUSA-N 410.598 5.751 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cc(-c2ccccn2)ccc1F 167128785 FERQIIZIAJOJKJ-NRFANRHFSA-N 420.484 5.159 0 1 HKAF CN[C@@H]1CCC[C@@H](n2cc(-c3ccc4c(c3)CC[C@@H]4N=O)c(-c3ccncc3)n2)C1 169686140 NNFRBCFFCSKCFE-VIZSFHNOSA-N 401.514 5.069 0 1 HKAF C[C@@H](CCCc1ccc(F)cc1)[C@@H](C)c1cc(O)c2c3c(c(=O)oc2c1)CC[C@@H](C)C3 221709211 OBHCTNGAKXZLER-FGTMMUONSA-N 422.540 6.525 0 1 HKAF CC1(C)CC[C@]2(C)CC=C3[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]2C1 238748347 OZQWSBFSSQJLEC-NBKBPQCXSA-N 410.686 7.987 0 1 HKAF CC1=C[C@H]2c3cc([C@@H]4CC(=O)c5c(O)cc(O)cc5O4)c(O)cc3OC(C)(C)[C@H]2CC1 238786312 OFLLWFQGLTWNOR-LFRPXUGBSA-N 422.477 5.121 0 1 HKAF COC(=O)c1ccc(-c2n[nH]c3c2Cc2cc(CN[C@H]4CC[C@H](C)CC4)ccc2-3)cc1 253659835 JTNRIWFDXWSSCU-OQIWPSSASA-N 415.537 5.103 0 1 HKAF O=C(O)CC/C=C\C[C@@H]1CO[C@@H](c2ccc(Cl)cc2Cl)O[C@H]1c1cccnc1 261185104 XDZGJTGQHCYFCC-FLEUYUBKSA-N 422.308 5.602 0 1 HKAF OC(c1ccccc1)(c1ccccc1)C1CCN(Cc2ccc(-c3ccoc3)cc2)CC1 299838632 VPWZNHFFPFZWET-UHFFFAOYSA-N 423.556 6.095 0 1 HKAF C[C@H](c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1)[C@H](C)Cc1ccc(F)cc1 299849626 OARQWQUBCPLSIK-KURKYZTESA-N 408.557 7.258 0 1 HKAF CC(C)CCOc1cc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1Br 586904906 WOKHEBKUWGTQHC-HNAYVOBHSA-N 415.331 5.319 0 1 HKAF COC(=O)c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 586999168 XNHQZEQCBRNNGF-DHZHZOJOSA-N 423.266 5.542 0 1 HKAF C[C@H]1CCc2sc(-c3nc4c(C(F)(F)F)cc(C(F)(F)F)cc4[nH]3)cc2C1 587033172 GEGPITYNLUCIIY-QMMMGPOBSA-N 404.379 6.454 0 1 HKAF COc1cc(-c2nc3cc(Br)ncc3[nH]2)cc(Cl)c1OCC(C)C 587044633 JQMKIPIBXOCKMW-UHFFFAOYSA-N 410.699 5.084 0 1 HKAF Clc1cccc(OCc2ccc(-c3nc4cc5ccccc5cc4[nH]3)o2)c1Cl 587058162 ZJRGBFXNWUOXAJ-UHFFFAOYSA-N 409.272 6.862 0 1 HKAF Cc1cc(Br)cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 587093715 RKYRVQQWQMFKTC-UHFFFAOYSA-N 423.154 6.338 0 1 HKAF CC(C)(C)OC(=O)N1CCC[C@H]1Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104256 FRBQBFBJMIVJIN-KRWDZBQOSA-N 414.505 5.388 0 1 HKAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2c(Cl)ccnc2[nH]1 587121749 GDYXBTUQGVWORY-UHFFFAOYSA-N 410.808 5.609 0 1 HKAF FC(F)Oc1ccc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)cc1 587130954 TZRZBQPXXZAWPR-UHFFFAOYSA-N 407.136 5.613 0 1 HKAF CC(C)COc1cc2nc(Cc3c(F)cncc3Cl)[nH]c2cc1Br 587176081 LZFRUQGTZQJJIA-UHFFFAOYSA-N 412.690 5.139 0 1 HKAF CC1(C)CCSc2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc21 587207519 GDNZXTWPUCVZNS-UHFFFAOYSA-N 407.538 6.887 0 1 HKAF Cc1cc(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc(C)c1O 587207661 UUSOFLKYZWENQR-UHFFFAOYSA-N 409.441 5.063 0 1 HKAF CC1(C)COC2(C[C@H]3Cc4nc5cccc6c5c(c4[C@@H]3C2)-c2ccccc2C6=O)OC1 587209878 VZTWASCLIWVVLJ-DNVCBOLYSA-N 411.501 5.265 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)C1CCCC1 587223410 AJXQNPNZGWMNGG-OAQYLSRUSA-N 419.525 5.550 0 1 HKAF Nc1cc(-c2nc3cc(Br)c(Br)cc3[nH]2)c2ccccc2c1 587251598 KAJOTIJPFAHUNC-UHFFFAOYSA-N 417.104 5.490 0 1 HKAF Nc1ccc2oc(-c3nc4cc(Br)c(Br)cc4[nH]3)cc2c1 587252512 YGFRKBSZIWZSJW-UHFFFAOYSA-N 407.065 5.083 0 1 HKAF C[C@@]1(c2ccc3cccc4c3c2CC4)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349226 BISWLLKUULQRGT-XCZPVHLTSA-N 424.471 6.057 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350063 JUIRCGCDJUPSIT-UKILVPOCSA-N 404.437 5.131 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]3c2ccc(Cl)cc2)c1 587358517 CQPWFNIGKXGNJR-FQEVSTJZSA-N 411.888 6.998 0 1 HKAF CSc1ccccc1C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587371197 BKHASMQBCLOTKT-ISKFKSNPSA-N 408.494 5.614 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccc(C(F)(F)F)cc3)s1)O2 587380800 AUQHFMPPTRVZFO-INIZCTEOSA-N 404.413 5.426 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(C(F)(F)C(F)(F)F)CC2=O 587460268 HPZQIRNWQKUAHA-GOSISDBHSA-N 400.343 5.403 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cccc(Cl)c21 587461861 NRKUEAFUOUKDHP-VWLOTQADSA-N 418.876 5.452 0 1 HKAF Nc1ccccc1[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500088 LOXNLVSPHLDUJI-RUZDIDTESA-N 403.909 5.710 0 1 HKAF CN(C)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587502574 LVFNWDUDXPINEZ-FQEVSTJZSA-N 400.316 5.100 0 1 HKAF CC[C@@H](C(=O)O)n1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587516755 WERFWOADBPSGOI-LVXARBLLSA-N 417.505 5.436 0 1 HKAF Cc1cc2c(cc1[C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)C(C)(C)CCC2(C)C 587527442 WFCDCKUXUHRCAV-VWLOTQADSA-N 402.578 6.929 0 1 HKAF C[C@]1(c2cc(Cl)cc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544601 FPDAWPWRORRROW-WIYYLYMNSA-N 401.245 5.576 0 1 HKAF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]c2c(Cl)cccc12 587551417 FEUDFFNUANHCNW-FDDCHVKYSA-N 405.837 5.538 0 1 HKAF CCCCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F 587559616 YAEWTWYBUTVBBS-QPPBQGQZSA-N 408.425 5.413 0 1 HKAF CC(C)COc1cccc(OCc2nc3cc(Cl)cc(Br)c3[nH]2)c1 587565586 FHTHHSAIYKUSFV-UHFFFAOYSA-N 409.711 5.593 0 1 HKAF C[C@]1(c2ccc3c(c2)-c2ccccc2C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603423 OKHZEPYFBYKIPC-LEAFIULHSA-N 420.464 5.840 0 1 HKAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cc1ccc(Br)cc1 587620467 CMHMQIRGJZKWKM-UHFFFAOYSA-N 419.120 5.468 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cc(C(F)(F)F)ccc1F 587656329 XJTXDRNPQOYQAO-UHFFFAOYSA-N 420.312 5.489 0 1 HKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cc(C(F)(F)F)cc(Cl)n1 587658823 SODOGEHDKUNVNA-UHFFFAOYSA-N 419.765 5.259 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCC(F)(F)F)c2)N1 587712659 QATIDZDLYNGMES-QGHHPUGFSA-N 418.228 5.153 0 1 HKAF COc1ccc([C@@]2(CCC(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587805901 GQDGUCDFBVOJNC-IVZQSRNASA-N 420.366 5.811 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2Cc2ccccc2)N1 587824205 VLMDTLGLHSBEPL-YBOAYWMSSA-N 402.351 5.751 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2C2CCOCC2)N1 587837178 ZXCCBSUCXWYMLS-ASSNKEHSSA-N 404.323 5.106 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc(Cl)s2)N1 587848624 OSLSQAHHAUQAIW-DYZYQPBXSA-N 402.760 5.685 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C(=O)O)ccc1Cl 587864113 LEELYKJAPWINTE-UHFFFAOYSA-N 410.779 5.308 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1ccc(C(=O)c2ccccc2)cc1 962395273 CBODMICGTQUHHI-VWLOTQADSA-N 412.558 5.465 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(-c3ccccc3)n(-c3ccccc3)n2)N1 962950344 MNLAXGPSIOYVOX-WTYVLRPYSA-N 418.544 6.034 0 1 HKAF Cc1cc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc(C)c1OCc1ccccc1 963100760 JGGAANBGVDNDQC-AHWVRZQESA-N 401.525 6.131 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC(=O)C(F)(F)F)c1ccc(Cl)s1 963258143 NXZUEPBODAGRIW-YJYMSZOUSA-N 415.908 5.823 0 1 HKAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)c1ccc2ccccc2c1OC(F)F 963639558 VLCYXRVAKIJXJT-SHACYNPGSA-N 413.464 5.256 0 1 HKAF Cc1noc(C)c1-c1ccc2c(c1)c(Nc1ccc(F)cc1)nn2[C@H]1CCCCO1 1857612161 PZCLUXPNNLULQP-OAQYLSRUSA-N 406.461 5.890 0 1 HKAF COc1cc(-c2c(OC)cc(-c3ccccc3)c(OC)c2O)cc2c1OC(C)(C)CC2 1857624634 PHGYFUHDYXCSIZ-UHFFFAOYSA-N 420.505 5.856 0 1 HKAF CN(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccco2)cc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c1cc(O)cc(O)c1Oc1c(Cl)c(O)c(Cl)c2c1C(=O)O[C@H]2CC 2356792368 JQCNBRBWHQWPPW-NSHDSACASA-N 413.253 5.477 0 1 HKAF CC[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@]4(C)C5=C([C@@H](O)C[C@H]4[C@@]3(C)CC[C@H]12)[C@@H](C)OC5=O 2356803368 XANPHTDZKAXPCO-AZXHWPPGSA-N 414.630 6.048 0 1 HKAF CCCC[C@H]1[C@@H]2C[C@H]([C@H](OC(=O)NCc3ccc(Cl)cc3)C2)[C@H]2CCCCN12 203468171 NOTRJGZXKHVWPZ-WHCFWRGISA-N 404.982 5.388 0 3 HKAF COc1ccc(-c2noc(-c3c(F)cccc3Cl)c2C(=O)NCC(C)C)cc1 776923 NUKVTLJVZJDRJW-UHFFFAOYSA-N 402.853 5.196 0 1 HKAF CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)OCCO1 2022525 QPWFAMUJAQBGOG-WOJBJXKFSA-N 400.559 6.173 0 1 HKAF CCOc1cccc(-c2onc(-c3ccccc3F)c2C(=O)NCC2CCCCC2)c1 2482384 VYBXZRRVTAZYQE-UHFFFAOYSA-N 422.500 5.857 0 1 HKAF CC(C)=CCc1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C(=O)[C@H](C)[C@@H](C)O2 13382637 ZJXOEBUGDGYYOO-HUUCEWRRSA-N 404.462 5.274 0 1 HKAF biogenic Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccccc3Cl)ccc2n1 13835529 IWEDYRWXTAWCAS-UHFFFAOYSA-N 417.896 5.610 0 1 HKAF O=C(O)COc1ccc(-c2ccc(-c3ccsc3Cc3ccccc3)cc2)cc1 27548307 JINMVRGDCSMDIG-UHFFFAOYSA-N 400.499 6.136 0 1 HKAF CCC[C@@H](NC(=S)Cc1ccc(C(=O)O)cc1)c1ccccc1N1CCCCC1 27560549 XOLUXKWZNRXGFY-OAQYLSRUSA-N 410.583 5.376 0 1 HKAF COc1cccc(Sc2nc(Nc3ccc4[nH]cnc4c3)ncc2C(F)(F)F)c1 28523096 JOTICRSTZVLRBF-UHFFFAOYSA-N 417.416 5.275 0 1 HKAF CC(C)(C[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1 28525395 LKQJUECNABLWPW-HXUWFJFHSA-N 413.517 5.522 0 1 HKAF CCOc1c(-c2cccc3cc(/C(C)=C/C(=O)O)oc23)cc(C(C)C)cc1C(C)C 29338080 OUHBUMDSRWMXGE-GZTJUZNOSA-N 406.522 7.233 0 1 HKAF O=C(Nc1ccc(Cl)cc1)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 40875989 JEGJGAPFQUFVSH-UHFFFAOYSA-N 424.291 6.324 0 1 HKAF CSc1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccnc(N[C@@H](C)C(C)C)c2)[nH]1 40933558 AYBVIYITZRMSPJ-ZDUSSCGKSA-N 420.504 6.336 0 1 HKAF COC(=O)[C@@H]1C=C[C@@H]2C[C@H]3[C@H](CCCCCc4ccc5c(c4)OCO5)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 59085527 WUXZTXRLZQAUHL-ALPAVXICSA-N 420.549 5.178 0 1 HKAF O=C(c1ncc(-c2ccccn2)o1)[C@H]1CCc2cc(OCc3ccccc3)ccc2C1 71317604 PSMKDAOLSHXOGN-NRFANRHFSA-N 410.473 5.303 0 1 HKAF Brc1ccc([C@@]2(Cc3ccccc3)c3ccccc3-c3nccn32)cc1 72110987 GBWAZMTYWIUTEB-QHCPKHFHSA-N 401.307 5.661 0 1 HKAF Cc1oc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccccc2)nc1-c1ccccc1 82162969 BKXWKPXFHYAHHX-OALUTQOASA-N 424.548 6.256 0 1 HKAF C[C@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)C1 82165854 MGRQJGMEBFLXJW-CALCHBBNSA-N 416.550 6.009 0 1 HKAF COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2-c2ccc(Cl)cc2)cc1 95594853 HSENWZUOFJFJLF-VMPITWQZSA-N 410.897 6.212 0 1 HKAF CC1=C2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@@]2(C)CC[C@@H]1C 100823685 LGVXVLHBYPSFGC-CYXQMOMMSA-N 424.713 8.089 0 1 HKAF endogenous,in-man CC(=O)Oc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3cc4c(cc32)OCCO4)cc1 101815639 PYMMMAOGFIWQCZ-HSZRJFAPSA-N 419.477 5.233 0 1 HKAF Cc1cccc(OCC(=O)N2N=C(Nc3ccccc3)S[C@@H]2c2ccccc2)c1 103196654 DBLKAAIZLPWUGX-JOCHJYFZSA-N 403.507 5.031 0 1 HKAF CCC/C=C/C[C@@H]1C/C=C/C=C(C)/C=C/C=C\[C@H](O)C/C=C(C)/C=C/C=C/C(=O)N1 105577481 UMYFIUGQWGBKLX-NNUYOOIWSA-N 407.598 6.046 0 1 HKAF C[C@@H](CNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1)c1ccccc1 147846039 LZNDLLYIPFHYBW-IBGZPJMESA-N 424.504 5.546 0 1 HKAF CC1=C2C[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@@]12O[C@@H]1C[C@@H](C)CN[C@@H]1[C@@H]2C 169293847 QASFUMOKHFSJGL-WRKKQFPKSA-N 411.630 5.002 0 1 HKAF C/C(=C\[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)[C@@H](C)C(C)C 257484780 MNBTWOPOWPOHGH-HROSPLTESA-N 410.686 7.721 0 1 HKAF endogenous,in-man COc1cc2nc(C)c(-c3ccc(OCc4ccccc4)cc3)c(O)c2cc1Cl 299823666 RZRUIYNKUQTAGW-UHFFFAOYSA-N 405.881 6.157 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c(CCNc3ccc(Br)cc3)nc2c1 586995743 NRIWRNBWFFVALB-UHFFFAOYSA-N 418.644 5.652 0 1 HKAF Cc1c(Br)ccc2nc(-c3ccnc(Br)c3Cl)[nH]c12 587005827 VIEVMEUNZKFADA-UHFFFAOYSA-N 401.489 5.112 0 1 HKAF c1ccc(COc2ccc3nc([C@H]4CS[C@H](Cc5ccccc5)N4)[nH]c3c2)cc1 587041286 MNBAXNMOSGCUFV-DHIUTWEWSA-N 401.535 5.088 0 1 HKAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(C)c(F)cc3[nH]2)c1 587048239 HIDBRKCPCAPWSC-BQYQJAHWSA-N 414.868 5.054 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(C(F)(F)F)cnc1CC3 587104008 PPYYKBGICMMBIK-UHFFFAOYSA-N 402.375 5.626 0 1 HKAF Cc1ccc(-c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c(F)c1 587146823 XTWNLXXOXNOUBV-UHFFFAOYSA-N 415.877 5.132 0 1 HKAF Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(Cl)cnc3[nH]2)cc1 587165359 SCAFHKQKYXGKBS-UHFFFAOYSA-N 418.863 5.088 0 1 HKAF CCCC[C@H](O)[C@]1(CCCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351163 IEZJZEITXBXNDJ-FIXSFTCYSA-N 400.490 5.370 0 1 HKAF Cc1ccccc1[C@@H]1C[C@@H]1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355066 PQHXJUNSQUYUJQ-HEJCWENXSA-N 402.465 5.761 0 1 HKAF C[C@@]1(c2ccc3nc(O)sc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587374724 PSBRLYOTGGPZAW-OFNKIYASSA-N 421.449 5.121 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1ccc(OC)c(C)c1)[C@@H](C2)C3=O 587424003 WKNMFKALJAFBNC-NBGIEHNGSA-N 420.892 5.357 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccccc3)nc3c(C)cccn13)CC2=O 587488831 KLAFIJKFVBDMGC-JOCHJYFZSA-N 412.489 5.674 0 1 HKAF CCC[C@@]1(c2ccc(Oc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587525977 ULYXWUBILXLYQG-NDEPHWFRSA-N 412.529 7.019 0 1 HKAF Cc1ccc(-c2nc3sccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587538733 RLCBXZYHZQVLHA-OAQYLSRUSA-N 414.530 5.957 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2cccs2)s1 587613107 NNHYOBWTAVSSQA-YLJYHZDGSA-N 407.472 5.280 0 1 HKAF Cc1nc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cs1 587615641 XIFBEVBHYGMBNL-UGKGYDQZSA-N 421.499 5.589 0 1 HKAF CCCCn1nc(C)c(Cl)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587694293 GSGKCZHZQOVFQZ-DYZYQPBXSA-N 414.750 5.170 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H]2c2ccc(Cl)cc2)N1 587694622 HLLVCWOWVQVJMH-QROBEVECSA-N 408.742 5.939 0 1 HKAF CC(C)Oc1ccc(Cl)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587698525 QLEOSFZKGWGZFK-NSPYISDASA-N 412.730 5.652 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccc(Cl)c(Cl)c2)N1 587699956 ZAXPSDBSNAGNBR-ACTXBWPOSA-N 415.133 6.184 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1 587702129 VMBLGOGEGZVUBD-GIPWTMENSA-N 420.709 6.125 0 1 HKAF Cc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587709249 JTPGXJKUYZRTDD-BTDLBPIBSA-N 420.219 5.376 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)ccc2F)N1 587711012 IOJPLHCJKUZUBC-VPTHRUTESA-N 406.192 5.370 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(OC(F)(F)F)c2)N1 587723223 VSPWEUVQBHDYAG-ZKANADHPSA-N 422.191 5.250 0 1 HKAF Cc1cc(C)c(-n2cccn2)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587756325 DBFSDQJQJVVVMA-JLTOFOAXSA-N 414.322 5.014 0 1 HKAF CC(C)Cn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587756818 MHXBKKXOUUYKAM-JLCFBVMHSA-N 415.350 5.823 0 1 HKAF CC(C)CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587790266 FFIRABQXXFOSIF-SZNDQCEHSA-N 406.339 5.637 0 1 HKAF Cc1ccc(C)c([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587813016 ACRRSSZZTOLSEH-XDHUDOTRSA-N 424.357 6.031 0 1 HKAF CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C\[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587816457 YLHGRKAKEWKVQN-DXMNRYLPSA-N 420.410 6.522 0 1 HKAF CC1=C[C@]2(C[C@H](c3ccccc3)C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587816747 CKQODCKZFVAAHI-QXATTWAWSA-N 400.335 5.842 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(O)c2)N1 587832633 KDSPHUGCXMSZSC-PEBXRYMYSA-N 412.302 5.120 0 1 HKAF Cc1ccccc1[C@]1(c2cccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587848595 ONEXLPBODTVCRZ-QKKBWIMNSA-N 416.359 5.784 0 1 HKAF CC(C)c1ccc(-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)cc1 587922679 GRZMLABAONVRSZ-UHFFFAOYSA-N 412.533 7.888 0 1 HKAF Cc1ccc(-c2cc3c(n2-c2cnc(C)c(Br)n2)CC(C)(C)CC3=O)cc1 587939678 IJPYUSFFNISFBG-UHFFFAOYSA-N 424.342 5.469 0 1 HKAF C1=C(c2ccccc2)N2C(=NC3=C(CSc4ccccc43)[C@H]2c2ccccc2)S1 653899283 KSPSFORZXFCZEL-XMMPIXPASA-N 410.567 6.662 0 1 HKAF COc1ccc2c(c1OC)[C@@](c1ccc(C)cn1)(c1ccc(C)cc1C)N(C)[C@H](C)C2 962621500 HAGSHLMKQDNKBM-HRFSGMKKSA-N 416.565 5.192 0 1 HKAF CN(C)C(=O)c1ccc2c(c1)[C@](CCc1ccc(Cl)cc1)(C1CCCC1)NCC2 962929300 IVTWKHIMGBYBLL-VWLOTQADSA-N 410.989 5.206 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(OCc3ccc(Cl)cc3)c2)N1 962940458 CUNNIRCOKISTEK-NBGIEHNGSA-N 416.952 6.414 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CCCc1ccccc1)c1ccc(F)cc1 963638770 UXLLJKVAFAVNHM-UZTOHYMASA-N 419.540 5.644 0 1 HKAF Fc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3c4cc5c(cc4CCN23)OCO5)cc1 1772651974 WAEVDQMBMRSJAV-GJZUVCINSA-N 412.464 5.281 0 1 HKAF O=C(Nc1ccon1)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772655626 UQJOZBQPGBNCGG-PKNBQFBNSA-N 422.448 5.112 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OS(=O)(=O)NC(c1ccccc1)c1ccccc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c1c(O)cc(O)c(C(=O)CCc2ccc(O)cc2)c1O 2356681706 CQWUAFIQKBZOAW-UHFFFAOYSA-N 410.510 5.560 0 1 HKAF CC(C)=CCc1c2c(c(O)c3c1O[C@H](c1ccccc1O)CC3=O)C=CC(C)(C)O2 5158981 IAKVRAMIQPWTDR-FQEVSTJZSA-N 406.478 5.497 0 1 HKAF biogenic O=C(O)c1cccc(C=C2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)c1 13475211 XAZLELBMVFXKTE-UHFFFAOYSA-N 411.501 5.223 0 1 HKAF C[C@@H]1Cc2ccccc2[C@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1 13726253 JJHUGZVLLUVXKL-ZHRRBRCNSA-N 417.380 5.146 0 1 HKAF O=C(O)c1ccccc1-c1ccc(CN2C(=O)C3(CCCC3)N=C2c2ccccc2)cc1 13833589 KTJAGRBGSIVDJU-UHFFFAOYSA-N 424.500 5.154 0 1 HKAF C/C=C/CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2[C@H](C)[C@H]3[C@H]1C5 28123618 FOABREBCGIGLAE-DFXBYLQKSA-N 412.533 5.185 0 1 HKAF CCN[C@@H](c1ccc(Cl)cc1Cl)[C@@H](NCC)c1ccc(Cl)cc1Cl 28764632 JGTMGWSWOOOIOX-ROUUACIJSA-N 406.184 6.302 0 1 HKAF Oc1ccc(C(=Cc2ccc(I)cc2)c2ccc(O)cc2)cc1 29241085 RYSNSUYDXCLCNL-UHFFFAOYSA-N 414.242 5.291 0 1 HKAF CCOCCCn1c(C(C)C)nc2cc3c(Nc4ccc(OC)cc4)ncnc3cc21 40409120 QPXINYCZKGHJFY-UHFFFAOYSA-N 419.529 5.282 0 1 HKAF O=C(Nc1ccc2nc(C3CC3)cn2c1)c1ccc(-c2ccc(C(F)(F)F)cn2)cc1 43059428 CJFKJGHOSKSMBF-UHFFFAOYSA-N 422.410 5.545 0 1 HKAF O=C(Nc1cccc(Cl)c1)Nc1c(-c2ccc(F)cc2)[nH]c2ccccc2c1=O 49047794 GAWMJJRVBHQXMS-UHFFFAOYSA-N 407.832 5.632 0 1 HKAF CCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccc(OCc4ccccc4)cc3)cc12 49070277 YXJSPUMBLAYELT-UHFFFAOYSA-N 419.912 6.201 0 1 HKAF CC[C@H](C)Nc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccco2)n1 82166139 GSFPXRROAXPDGJ-AWEZNQCLSA-N 406.511 5.746 0 1 HKAF CC(=O)c1c(Nc2ccc(Cl)cc2)nc2c(C(F)(F)F)cc(Cl)cc2c1O 84605176 PNVHXAZOJZQBFE-UHFFFAOYSA-N 415.198 6.212 0 1 HKAF CCCN(CCC)c1cccc2nc(Nc3c(OC)cc(OC)cc3OC)c(C)cc12 84652598 SFYLYLYCCGETGG-UHFFFAOYSA-N 423.557 5.939 0 1 HKAF CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CCc1ccc(C(F)(F)F)cc1 95601882 LJKJTCXOYMCIKN-UHFFFAOYSA-N 417.431 5.125 0 1 HKAF O=C(Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccco1 96173981 AVHHHYHZLFCRAO-UHFFFAOYSA-N 419.444 5.072 0 1 HKAF OC1=C2C(=Nc3nc(SCc4ccccc4F)nn3[C@@H]2c2cccs2)CCC1 100638182 CBVCQFZKBGCRSQ-GOSISDBHSA-N 412.515 5.443 0 1 HKAF CC(C)N(C)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 100676015 XPETYAGPOUELRS-FQEVSTJZSA-N 423.771 6.236 0 1 HKAF COC(=O)[C@@]1(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C=C1C 103277896 LMLPVBKWBZSJGI-QFIPXVFZSA-N 418.320 5.086 0 1 HKAF C[C@H]([C@@H](O)CCC(C)(C)F)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118932679 HAAJKVUMSLGIDT-MHGOWFQDSA-N 420.653 6.452 0 1 HKAF COc1cc2cncc(Cc3cnc4ccc(O)c(C(F)(F)F)c4c3)c2cc1OC 145155759 PJWVLZATNHNKPG-UHFFFAOYSA-N 414.383 5.115 0 1 HKAF CCCCC/C=C/CCC(=O)CCCCCCCCCCCCCCCC(=O)O 167362765 KBDNHCBOCXMQNL-DTQAZKPQSA-N 408.667 8.408 0 1 HKAF Cc1ccc([C@@H](CC(=O)O)CC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 217071832 WOTDIFKPTDYJBL-GOSISDBHSA-N 423.896 6.028 0 1 HKAF O=S(=O)(Nc1ccccc1)c1ccc(-c2ncccc2Cc2ccccc2)cc1 299819817 DMUATXJZGOPROG-UHFFFAOYSA-N 400.503 5.140 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4[C@@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 299847908 YDQIBRUWWSGZRH-AZOXCMDXSA-N 414.718 8.025 0 1 HKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2c(S)nc(S)nc2[nH]1 586985051 XHFBMDJKELYUHS-NSHDSACASA-N 423.405 5.065 0 1 HKAF FC(F)(F)Oc1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 587012341 IIPKLPAEHSJDOA-UHFFFAOYSA-N 404.211 5.225 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 587050884 RCDJHSVTVNNOAQ-BDAKNGLRSA-N 405.634 6.813 0 1 HKAF Clc1ccccc1CCc1nc2c(Br)ccc(Br)c2[nH]1 587059311 OEDBSQIZHOZXHM-UHFFFAOYSA-N 414.528 5.527 0 1 HKAF Fc1cc2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2cc1Br 587083803 MWIWCYWWABKDLE-UHFFFAOYSA-N 402.654 5.847 0 1 HKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587112216 DOHMWCLVGOGMOT-MRXNPFEDSA-N 410.439 6.507 0 1 HKAF COC(=O)c1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1OC 587163895 NGMMYQMTPOAYIY-FOWTUZBSSA-N 408.454 5.148 0 1 HKAF FC(F)(F)c1ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c1 587182604 LIVHOOLLMXEYTM-UHFFFAOYSA-N 422.575 5.507 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]43C)[C@@H]1c1c(nc3cccc4c3c1CC4)C2 587216218 WNHTUDQKPPSHCI-HORZADTKSA-N 401.594 5.967 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCc3ccc4ccccc4c32)[C@H]1c1ccc(F)cc1 587355152 TWEFSUKIQYZPAI-BDYUSTAISA-N 410.444 5.885 0 1 HKAF COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1S 587373992 JTXHVNQMGROROI-GMAHTHKFSA-N 410.466 5.103 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-c3ccc(Br)cc3)cc1)O2 587374381 XLZCGXJKDPHVGU-QHCPKHFHSA-N 422.322 5.887 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Oc4cc(F)ccc4F)cc1)[C@@H](C2)C3=O 587421972 BGWZEAPRKYUAGG-MHECFPHRSA-N 408.400 5.429 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@](CC)(CC(=O)O)Cc2ccccc21 587491365 ULOUUKICDRHJHO-RPBOFIJWSA-N 408.494 5.023 0 1 HKAF CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1O 587500978 VTSXHQNRQKNKEA-GOSISDBHSA-N 417.299 5.139 0 1 HKAF O=C1C[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)Oc2c1ccc1c2CCCC1 587516711 UTRKETWVPVLJSI-AREMUKBSSA-N 420.512 6.125 0 1 HKAF COc1ccccc1C1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2O1 587533827 WSWZOFZBIQXPIP-NDEPHWFRSA-N 424.496 5.868 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)C[C@]1(CC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589076 NKVQWKGQLHCCQT-BVAGGSTKSA-N 411.457 5.071 0 1 HKAF CC(C)[C@]1(c2cc3ccccc3o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615213 FKUKUYKXANWSEG-RCZVLFRGSA-N 400.430 5.652 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2cccc(Br)c2)N1 587680336 PKURKIUXXPFENG-DYZYQPBXSA-N 413.128 5.169 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2ccccc2Cl)N1 587695356 JEKMPMNBCXWPDT-DGIBIBHMSA-N 420.713 5.255 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)(F)F)c(F)c2)N1 587710657 GWYKEFKUAXOKFJ-ZKANADHPSA-N 406.192 5.370 0 1 HKAF CCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CC 587795739 RJKVUUDHFUJLQG-ZSEKCTLFSA-N 406.339 5.563 0 1 HKAF COc1ccc2ccccc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587805390 DIAAJOSVHGJVIE-XUSGNXJCSA-N 400.291 5.374 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C)Cc2ccc(C(C)(C)C)cc2)N1 587821434 VATDLGCAFFSVED-DOQJBMMISA-N 418.394 6.340 0 1 HKAF Cc1sc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587844718 OVLJAUFCMZCHST-MLXNANBUSA-N 419.157 5.344 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3ccsc3)n2)N1 587853876 SDYYTDLNAMOMTE-JDNHERCYSA-N 409.349 5.397 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3ccsc3)n2)N1 587853877 SDYYTDLNAMOMTE-XXFAHNHDSA-N 409.349 5.397 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(Cc3ccccc3Cl)n2)cc1 587922345 BEIXFNZGVBDRPO-UHFFFAOYSA-N 418.924 7.342 0 1 HKAF Oc1ccc(-n2c(O)cc(-c3ccc(Br)cc3)c2O)cc1-c1ccccc1 587927583 XQMHIBWLZGZKQV-UHFFFAOYSA-N 422.278 5.691 0 1 HKAF Cc1c(F)ccc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c12 587949522 VRFFXRGLYWAHFR-ULYRPOKDSA-N 408.517 6.295 0 1 HKAF CC1(C)CC[C@@]2(C)CC=C3[C@@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2C1 685935779 DBCAVZSSFGIHQZ-GLSBTDRCSA-N 424.713 8.377 0 1 HKAF biogenic,in-vitro COCOc1ccccc1[C@@]1(c2ccc(Cl)cc2)NCCc2ccc(F)c(C)c21 962375597 OCFCISRFCYBDCK-XMMPIXPASA-N 411.904 5.208 0 1 HKAF C[C@]1(CCc2ccc(Cl)s2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962634483 HRJNDBILXHQQMU-BWKNWUBXSA-N 423.025 5.996 0 1 HKAF Fc1cc(Cl)ccc1-c1ccc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)o1 962659840 AOQGMRGFCTZWKW-RUZDIDTESA-N 403.884 6.641 0 1 HKAF Cc1ccc(SC(C)(C)[C@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962670267 QINPUDWWDZYYOA-BWKNWUBXSA-N 420.578 5.254 0 1 HKAF CC1(C)N(Cc2ccccc2)CCC[C@@]12c1cccc(F)c1CCN2[C@H]1CCSC1 962713271 QRMWVEJDBQHPNC-HFZDXXHNSA-N 424.629 5.459 0 1 HKAF Cc1cc(Cl)ccc1[C@]1(C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962928537 YVLZMXIITKGMKG-UPVQGACJSA-N 423.896 5.009 0 1 HKAF CC[C@]1(c2ccc3ccccc3c2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962966820 ANUDYRNCPWGLBO-XMSQKQJNSA-N 401.840 5.024 0 1 HKAF COc1ccc(-c2ccncc2)cc1[C@@H]1c2ccsc2CCN1Cc1cccnc1 962999323 QNMDDKCTMOERTG-VWLOTQADSA-N 413.546 5.361 0 1 HKAF Cc1ccc(C)c([C@]2([C@H]3CC[C@H](C(=O)O)CC3)c3ccc(F)cc3C[C@H]3CCCN32)c1 963087354 CKQZWTVZUYOQOJ-ASFHOZQWSA-N 421.556 5.598 0 1 HKAF COC(=O)c1ccc([C@@]2(CCC(F)(F)F)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963095195 CLRAQCHDAVVYEF-UGKGYDQZSA-N 421.434 5.219 0 1 HKAF CC[C@]1(c2ccc(Cl)c(Br)c2)c2c(F)cccc2C[C@H]2CCCN21 963106297 KCGAMPNBJVWVKD-QRWLVFNGSA-N 408.742 5.916 0 1 HKAF C[C@H]1CCCCN1[C@H]1CC[C@H](c2ccc(N3CCC4(CCOCC4)C3=O)cc2)CC1 1772576357 OVIXNDHQNOKILF-FUDKSRODSA-N 410.602 5.121 0 1 HKAF COc1ccc(CN2CCCN(Cc3ccccc3)[C@H](Cc3ccccc3)C2)cc1 1772614444 YZOXHXVVVMMYPW-AREMUKBSSA-N 400.566 5.014 0 1 HKAF O=C(/C=C/c1cnc2[nH]cc(-c3ccccc3)c2c1)NCCc1c[nH]c2ccccc12 1772636169 WFBOQWROZRZPPU-ZHACJKMWSA-N 406.489 5.083 0 1 HKAF C[C@@H](N=c1c(C(=O)O)c[nH]c2ccc(-c3cccnc3)cc12)c1ccc(Cl)cc1 1857620327 CTSKGPCOFZYIBJ-CQSZACIVSA-N 403.869 5.243 0 1 HKAF C[C@@H]1C2=CC[C@@H]3[C@](C)(CC[C@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]34C)[C@@H]2CC[C@@H]1O 2356631794 OLWSWWUSGLHFEB-QBAUJGLUSA-N 412.702 7.779 0 1 HKAF CC(C)=CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CC[C@H](C)CC(=O)O)[C@@](C)(O)CC[C@H]21 2356641703 ZQCLFYPJCVYMSK-KCDBLEJKSA-N 422.606 5.361 0 1 HKAF CC1=C[C@H](CN(C)Cc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 2356671427 YYKVSYYALWSRHE-BDTNDASRSA-N 410.606 5.291 0 1 HKAF CCOC(=O)[C@]12Cc3cc(Cl)ccc3[C@H]1N(C1CCCCC1)C(=O)c1ccccc12 95568048 HBYYHTMFRLFKDG-RDGATRHJSA-N 423.940 5.227 0 3 HKAF CCCCOc1c(/C(C)=C\C=C\C(C)=C\C(=O)O)cc(C(C)(C)C)cc1C(C)(C)C 1549276 ZKCLTMKNJCSCFH-QWHMLTOOSA-N 412.614 7.451 0 1 HKAF O=C(O)/C(=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccc(Cl)cc1 13609222 AEBCIAPTFVBJOX-YRNVUSSQSA-N 410.640 5.452 0 1 HKAF Cc1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2CC(=O)N(C)C)cc1 13609964 SXCZQGQKPFLBQR-UHFFFAOYSA-N 418.537 5.451 0 1 HKAF COc1ccc(CN2CCC[C@H]2CO[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 27195146 XNWVCSRJIXXBRL-AHWVRZQESA-N 421.968 6.119 0 1 HKAF CSc1ccc(-c2ccc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)cc2)cc1 28364361 WZCURRJAZZRRKH-QHCPKHFHSA-N 402.563 5.080 0 1 HKAF CCCCOc1ccc(C(=O)n2c(CCC)c(C(=O)O)c3cc(OC)ccc32)cc1 28375358 MREIXXPWQSBOAX-UHFFFAOYSA-N 409.482 5.168 0 1 HKAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](c1ccccc1)CC3=O 29133753 KGMSIYQCUCLJRG-IBGZPJMESA-N 416.473 5.636 0 1 HKAF O=C1CC2(N3CCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 40576409 SPFNPXDDHRPGQO-MNZGCLKASA-N 414.376 6.078 0 1 HKAF Clc1ccc(-c2nn3c(COc4ccc(-c5ccccc5)cc4)nnc3s2)cc1 40939366 XAMRVGRAVKPCGP-UHFFFAOYSA-N 418.909 5.752 0 1 HKAF CCCCN1CCC[C@@](c2ccc(C(=O)N(CC)CC)cc2)(c2cccc(O)c2)C1 45340116 RTMAZPQMEHLOAT-AREMUKBSSA-N 408.586 5.056 0 1 HKAF CCc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 45366027 QLFJCVRFLSNGGK-UHFFFAOYSA-N 406.869 5.728 0 1 HKAF Cc1cc(C)c(N2CCCn3c2nc(C(F)(F)F)c3CN2CC=CCC2)c(C)c1 49050832 YPYQSCMHNLMVBS-UHFFFAOYSA-N 404.480 5.131 0 1 HKAF CC(C)CN(C)C(=O)c1cnc(N2CCCC2)nc1-c1ccc(-c2ccccc2)cc1 82159044 LSEPWKFQIUKLPF-UHFFFAOYSA-N 414.553 5.139 0 1 HKAF O=C1Nc2cc(Nc3cccc(NC(=O)c4ccccc4)c3)ccc2/C1=C/c1ccc[nH]1 84710344 GCXZQGNQRVSIJD-HAHDFKILSA-N 420.472 5.503 0 1 HKAF Cc1ccc([C@@H]2N(C)c3ccccc3C(=O)N2c2ccccc2C(F)(F)F)s1 95580703 BHLJTNKHTUIKEH-LJQANCHMSA-N 402.441 5.871 0 1 HKAF Cc1nc(Cc2ccc(Cl)cc2)sc1[C@@H]1SCC(=O)N1c1ccc(F)cc1 95607138 ZXQCMOGXUMBLKB-FQEVSTJZSA-N 418.946 5.613 0 1 HKAF CC(C)N1C=CCC(C(=O)O[C@H]2CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)=C1 100915196 NJCOFCDXAPPPGX-RYIFMDQWSA-N 421.581 5.672 0 1 HKAF CCc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(Cl)nc2)c2ccccc12 103245345 UMEFIVSINWKUBU-GOTSBHOMSA-N 422.956 5.075 0 1 HKAF CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(F)cc2)C2=C(O)CCCC2=N1 103935314 NSWMSTQNDGIAAH-QHCPKHFHSA-N 421.468 5.256 0 1 HKAF N#Cc1ccc(COc2ccc3[nH]c4c(c3c2)CC[C@@H]4CC(=O)O)cc1C(F)(F)F 117523784 GQSQSTSCDLGWQJ-CYBMUJFWSA-N 414.383 5.142 0 1 HKAF CCC(=O)c1sc(-c2cccc(Cl)c2)c(C)c1-c1ccc(S(N)(=O)=O)cc1 148819786 KLUPMUNDFUWJTK-UHFFFAOYSA-N 419.955 5.284 0 1 HKAF [3H]C([3H])([3H])N1CCCC[C@H]1[C@@H](NC(=O)c1cccc(C(F)(F)F)c1Cl)c1ccccc1 169307164 XPXKFXNVIAOBEI-MNWJCSOQSA-N 416.891 5.314 0 1 HKAF CCCCC[C@H](C)[C@H](C)c1cc(NC(C)=O)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 169323127 GWAZHDZAZQUESD-FHWLQOOXSA-N 411.630 7.710 0 1 HKAF C=C/C(C)=C/[C@@]1(C)SC(=O)[C@H](CCCCc2ccc(-c3ccccc3)cc2)C1=O 169693647 TWMGOUPVJCORNJ-SHLCZHTHSA-N 404.575 6.416 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NC1CCC(O)CC1 169715902 HPRUEGPJJIRILR-AVHBIOJASA-N 401.635 6.552 0 1 HKAF Cn1cc(CCNC(=O)c2ccc(Cc3cccc(F)c3)cc2)c2cc(Cl)ccc21 205328108 OSPWIPAWSQXBRG-UHFFFAOYSA-N 420.915 5.534 0 1 HKAF Clc1ccc(-c2ccc(-c3nccn3-c3ccc([C@@H]4CCCNC4)cc3)o2)cc1 299826891 UUIIAYHWTPAHPU-LJQANCHMSA-N 403.913 5.920 0 1 HKAF O=[S@](c1cc(Cl)cc(Cl)c1)c1c(O)c(-c2cccnc2)cc2ccccc12 299840305 UXSZYTPHCJCTQM-HHHXNRCGSA-N 414.313 6.081 0 1 HKAF COc1ccc(Oc2cc(NC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)ncn2)c2ccccc12 299887850 ZNTNTKVQCJZOOE-ABSDTBQOSA-N 403.526 5.915 0 1 HKAF Oc1ccc(-c2ccc(OCc3ccc4[nH]ccc4n3)cc2)c(-c2ccc(F)cc2)n1 473154762 LLPMMYSABSHIDC-UHFFFAOYSA-N 411.436 5.716 0 1 HKAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(C)cc(F)c4[nH]3)c(=O)oc2c1C 586917595 HISMIFKYIKPERN-UHFFFAOYSA-N 420.484 5.669 0 1 HKAF Clc1cc(Cl)c(Br)c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1 586975287 LSYWDYGUXSXDME-UHFFFAOYSA-N 411.901 6.001 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2ccc(C(=N)N)cc2[nH]1 586980966 CAVYGSLUGQJMRD-UHFFFAOYSA-N 415.335 5.236 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2ncc(C(F)(F)F)cc2[nH]1 586981934 XANIGNFJNMTHNC-UHFFFAOYSA-N 421.220 5.505 0 1 HKAF Cc1cc(Cl)cc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc12 587063914 DKJHAUGTTHPNFQ-UHFFFAOYSA-N 414.292 5.086 0 1 HKAF COc1cc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Cl 587072858 YLTFDLRNVDDXEG-JJZZXYKQSA-N 421.755 6.898 0 1 HKAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587079037 FQEYZIFSTDBOHD-IBGZPJMESA-N 418.953 6.091 0 1 HKAF Cc1c(-c2cc(Br)ccc2O)nc2cccc3c2c1-c1ccccc1C3=O 587101692 KUQXUFPCHFYMTM-UHFFFAOYSA-N 416.274 5.890 0 1 HKAF CC[C@H](C)c1ccc(NC(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587103007 CLIFRQFTAQYGRK-KRWDZBQOSA-N 420.512 6.141 0 1 HKAF Cc1c(-c2ccc(OC(F)(F)F)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587103585 KUFOEYMPQSGTHL-UHFFFAOYSA-N 405.375 6.320 0 1 HKAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 587108614 FVPFGBIOJMCCRC-UHFFFAOYSA-N 406.307 5.559 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(Br)nc3[nH]2)cc1F 587150539 LQRCUMZSXCZRCY-QGZVFWFLSA-N 416.225 5.167 0 1 HKAF CC(C)[C@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)N(C)C(=O)OC(C)(C)C 587198153 UTNPCJTUKPFMQH-CYBMUJFWSA-N 422.398 5.176 0 1 HKAF CCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F 587329832 FOVXFNKKONUKRO-ISKFKSNPSA-N 410.416 5.343 0 1 HKAF CC(C)(C)[C@@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333737 HYKQJWOYESMQMU-DHLKQENFSA-N 405.469 5.414 0 1 HKAF COc1ccc2c(c1)[C@]1(CCS2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587376326 WNRXBWPMQMTBOP-UPVQGACJSA-N 422.477 5.290 0 1 HKAF CCCCc1nnc(-c2ccc([C@@H]3CC(=O)c4ccc(O)c(CCC)c4O3)cc2)o1 587486262 TZHZOPZDBXOEEQ-NRFANRHFSA-N 406.482 5.444 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(Cl)ccc1C(F)(F)F 587547684 MAIADKXGPKVRQF-HNAYVOBHSA-N 421.758 5.162 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cccc1N1CCCC1 587547934 VJVQUJZHECOMST-URXFXBBRSA-N 421.880 5.349 0 1 HKAF O=C(c1ccccc1O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(F)c(Cl)c12 587627922 FTQKMCCTOSPVSB-UHFFFAOYSA-N 400.236 6.217 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(Br)c3)c([C@@H](C)C(=O)O)c2c1 587639526 YUXJMXPSGVIBJH-QWHCGFSZSA-N 400.316 6.299 0 1 HKAF Cc1cccc(Br)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587676356 GTSMPNYHGDBOQK-DYZYQPBXSA-N 413.128 5.283 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(Cl)o2)N1 587680220 OIJAZDLJQSYKSG-UANNBLPKSA-N 423.507 5.221 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCOc3cc(Cl)ccc32)N1 587692390 BIBJDRYCJSKJMA-JEOXALJRSA-N 410.714 5.192 0 1 HKAF COc1ccc(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587700549 ZGDODFMVFGBCAY-JEOXALJRSA-N 412.730 5.242 0 1 HKAF Fc1cc2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2cc1Br 587784314 PVTVWPWYJMHCGC-FLIBITNWSA-N 423.285 6.214 0 1 HKAF COc1ccc([C@H](C)[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587810379 WZUWCJGVZPAHOH-OYMPBJRDSA-N 422.338 5.159 0 1 HKAF CC(C)CSc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587848819 YDPDFZGEYGBEFI-ZUOKHONESA-N 408.380 5.960 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncnc2sc(C)c(C)c12 587863761 HCWKAFBPSUQEJI-UHFFFAOYSA-N 404.417 5.188 0 1 HKAF COc1ccc(-c2csc3ncnc(-n4nc5cc4Oc4ccc(F)cc4-5)c23)cc1 587876669 SXQVTEMLLNCOOB-UHFFFAOYSA-N 416.437 5.464 0 1 HKAF CN(C)c1cccc(Oc2ccc(-c3nc(-c4ccc(F)c(F)c4)cs3)cc2)c1 587922731 YINXTRJNMPTUNX-UHFFFAOYSA-N 408.473 6.614 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc3c(cc2[nH]1)OCO3 587949073 NRESSJGRDSWFFJ-VWKPWSFCSA-N 420.509 5.576 0 1 HKAF COc1ccc2c(c1OC)[C@](CCc1cccc(Cl)c1)(C1CCC1)N(C)[C@@H](C)C2 962626686 MYOPTUKDVNHBLV-GKVSMKOHSA-N 413.989 5.862 0 1 HKAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@H]2CCc1cccc(C(F)(F)F)c1 962697057 BFCBAMRAFCGDIU-UTKZUKDTSA-N 409.492 5.882 0 1 HKAF C[C@@H]1Cc2ccc(Cl)cc2[C@@]12NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962953528 IZVQRUDDGFRTHG-JLCFBVMHSA-N 421.890 5.446 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1ccc(-c2ccc(C)cc2Br)o1 963229220 NKLSAYDINMSWMI-MZNJEOGPSA-N 424.382 6.764 0 1 HKAF COC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1 1772646384 FYEDSYCZRSGBCV-NRZYEBOTSA-N 408.586 5.842 0 1 HKAF Cc1ccc(O)cc1CC[C@H]1[C@@H]2CC[C@@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]2(C)CC[C@H]1O 2356511696 MGNWMLGIVDEXBR-DXLBFRBQSA-N 414.674 7.145 0 1 HKAF CC1=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1 2356524247 WSUOURBTDCUBEX-UHFFFAOYSA-N 408.714 10.359 0 1 HKAF CC1=C[C@H](CN2CCC(C)CC2)[C@H](C(C)C)C[C@@H]1Cc1nnc(-c2cccnc2)o1 2356529781 RJHNPRNIIGGZDE-ZLNRFVROSA-N 408.590 5.261 0 1 HKAF COc1c(CC=C(C)C)c2c(c3oc(=O)cc(-c4ccccc4)c13)C(=O)[C@@H](C)[C@@H](C)O2 2356531991 DJQOFJYLUOKIRR-JKSUJKDBSA-N 418.489 5.577 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@H](OC(=O)C=C(C)C)[C@@]2(C)[C@@H]1C 2356568291 JKNRDFAUDFWMHQ-GKTKTTENSA-N 414.542 5.625 0 1 HKAF CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]([C@@H](C)[C@@H](O)CCC(C)C)[C@@]4(C)CC[C@@H]32)C1 2356585831 DNOWADDTTWTLLY-JAFQAJIXSA-N 416.690 7.014 0 1 HKAF CC(C)C(=O)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356587324 HUEKQDSAUGWXNI-STQCVWSOSA-N 400.647 6.568 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C=C[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356604613 BDCFUHIWJODVNG-AFAADKLXSA-N 412.702 7.801 0 1 HKAF Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)sc2n1 2924628 DTFGLOUEXMCGCY-HDMKZQKVSA-N 414.619 5.099 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 5453198 PRISGQUOLDSJKP-CQURCDHJSA-N 400.691 7.779 0 1 HKAF Oc1cc(NC[C@@H]2CCC[C@H]2NCc2ccc(Cl)c(Cl)c2)nc2ccccc12 13488724 GQAWHFHCJXEXAJ-HNAYVOBHSA-N 416.352 5.618 0 1 HKAF CCCc1cc(NCCC2CCN(Cc3ccccc3)CC2)nnc1-c1ccccc1 13863623 QDPFLDICHQNBMJ-UHFFFAOYSA-N 414.597 5.810 0 1 HKAF CC(C)(C)c1ccc(NC(=O)c2scnc2CCc2ccnc3ccccc23)cc1 14946545 SMSPSBPTIAPATO-UHFFFAOYSA-N 415.562 6.026 0 1 HKAF N[C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1ccc2ccccc2c1 14957807 ITJZTJQKJMPXAO-SANMLTNESA-N 405.501 5.399 0 1 HKAF CC(C)(Cc1c[nH]c2ccccc12)NC[C@@H](O)COc1ccccc1C1CCCCC1 26724797 YRHSUHPPGGMNSG-JOCHJYFZSA-N 420.597 5.566 0 1 HKAF C(CCCCCCC1=N[C@@H]2CCCC[C@@H]2N1)CCCCCC1=N[C@H]2CCCC[C@@H]2N1 28865511 MBECNIXDQMCFPX-NEWJYFPISA-N 414.682 6.293 0 1 HKAF NC(=O)c1cnc2cc(-c3ccc(Br)cc3)ccc2c1Nc1ccccc1 28960016 DJOUYDQKNHDDPU-UHFFFAOYSA-N 418.294 5.507 0 1 HKAF CCN(c1cccc2ccccc12)[C@H]1CCCc2nc(-c3ccccc3C)cc(OC)c21 29053803 JFOVPHALQDHNQN-MHZLTWQESA-N 422.572 7.123 0 1 HKAF C/C=C(\C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34187278 MMFZLVUIFVOBLE-NXCJKEPKSA-N 412.702 7.945 0 1 HKAF C=CC(=O)O[C@@H]1C[C@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OCC)[C@@H]2CC[C@@]1(C)C3 40894664 JSPWDSUJISYNSY-DBWGLHGNSA-N 402.575 5.450 0 1 HKAF FCCC[C@@H]1OC2(CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc21 45288977 ZGGFCMHHXYXYPA-SANMLTNESA-N 415.552 6.588 0 1 HKAF CCOC(=O)c1ccc(-c2ccc(OC)c3oc(C(=O)Nc4ccccc4)cc23)cc1 45354447 VOGYOAJRNKHGIX-UHFFFAOYSA-N 415.445 5.537 0 1 HKAF O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(-c3cc4ccccc4o3)ccc12 61924054 BTNCGYQZSCSVSF-DVECYGJZSA-N 409.485 6.671 0 1 HKAF C[C@@H](NC(=O)CCN1CCC(c2ccccc2)CC1)c1ccccc1-c1ccccc1 73157867 LOEFXBVNFMJELM-JOCHJYFZSA-N 412.577 5.801 0 1 HKAF CCCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2ccc(-c3ccccc3)cc2)n1 82217176 OMPSKNQYYYQGQR-UHFFFAOYSA-N 416.569 5.751 0 1 HKAF C[C@H]1C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)OC(=O)[C@@H]1C 118913575 JAVFSUSPBIUPLW-NWCSJDNWSA-N 414.674 7.259 0 1 HKAF biogenic,in-vitro CC(=O)N[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(c5cccnc5)=CC[C@H]4[C@@H]3CC[C@@H]2[C@@H]1C 141117825 SAZDFZFCNCTGDS-IXWQOUQJSA-N 406.614 5.868 0 1 HKAF COC1=C(C)C(=O)O/C1=C\[C@@H](C)CC/C=C(/C)CC/C=C(/C)CCCc1ccoc1 165947796 XISQJZUEXCAZSO-OUOFSEJASA-N 412.570 7.053 0 1 HKAF C[C@@H]1Cc2nn(C)c(-c3ccccc3Cl)c2-c2nc(Nc3ccccc3)ncc21 169702149 IIBCFWXFDHLVPW-CQSZACIVSA-N 401.901 5.601 0 1 HKAF O=C(Nc1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)cc1)Nc1cccc2cccnc12 169722001 JZHNQLJJBYEVBD-IYBDPMFKSA-N 424.460 5.221 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@@H]1c1ccc(C2CCCCC2)cc1 169728415 KVLRGEGJGCSVSZ-DNQXCXABSA-N 407.554 5.725 0 1 HKAF Brc1cc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586885017 SUJLSVKBQJZSAM-IJZKUYQOSA-N 410.153 5.556 0 1 HKAF O=C1c2ccccc2-c2c(Cc3ccc(-c4ccccc4)cc3)cnc3ccc(O)c1c23 586990838 HYTDHANUOVAFQF-UHFFFAOYSA-N 413.476 6.410 0 1 HKAF COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c2ccccc12 586992102 NICVIOFSPMKHSB-UHFFFAOYSA-N 403.437 5.981 0 1 HKAF Cc1c(-c2ccccc2OC(F)F)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586997569 ZJOJTCLQNKYHTI-UHFFFAOYSA-N 401.412 6.331 0 1 HKAF CCCCOc1cc2nc([C@@H]3SCCc4sccc43)[nH]c2cc1Br 587037381 USNBETOYHGMJST-QGZVFWFLSA-N 423.401 5.945 0 1 HKAF COc1cccc(-c2ccc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c(Cl)c2)c1 587052435 UBECDXQRTBHLDZ-UHFFFAOYSA-N 404.684 6.261 0 1 HKAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(F)c(C)c4[nH]3)nc2n1 587115011 CWOASVIRJLPXPD-UHFFFAOYSA-N 423.439 5.476 0 1 HKAF CCOc1cc(/C=C/c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)ccc1OC(F)F 587129187 CYUSGGGGROOHPJ-GQCTYLIASA-N 416.321 5.891 0 1 HKAF Oc1nc(NCc2ccccc2)c2nc(-c3sccc3-c3ccc(F)cc3)nc-2[nH]1 587164785 AADFJGLQFIXVQL-UHFFFAOYSA-N 417.469 5.157 0 1 HKAF CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cccnc4[nH]3)c12 587168610 KIVNGEZALHVASH-UHFFFAOYSA-N 412.472 5.499 0 1 HKAF Cc1ccc(NC2(c3nc4c(Br)cnc(Cl)c4[nH]3)CCCC2)cc1 587236958 IIBMWNLJMGXROF-UHFFFAOYSA-N 405.727 5.564 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3cccc(NC(=O)CC(C)(C)C)c3)nc2c1 587242244 PQDNLCZZGYZWEA-UHFFFAOYSA-N 400.320 5.676 0 1 HKAF C[C@]1(c2c[nH]c3cc(Cl)ccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326787 DCBARDMHUHNHJT-LADGPHEKSA-N 421.855 5.940 0 1 HKAF O=C1c2ccc(O)cc2OC2(CC(c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1 587335432 WUIYFZVREJQQSK-DXJIIWSXSA-N 408.856 5.860 0 1 HKAF COc1cccc(-c2cc(-c3c(C)oc4ccc(O)cc34)nc3c2oc2ccccc23)c1 587366710 QAFUUVIPRYVVGQ-UHFFFAOYSA-N 421.452 7.084 0 1 HKAF Cc1cccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587391554 NHAYDDRTYFFGEP-DEOSSOPVSA-N 409.489 5.445 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc3c(cc1C)C(C)(C)[C@H](C)CC3(C)C)O2 587405063 JEKQLCDOKLTMDY-CRYYWNKWSA-N 405.582 6.361 0 1 HKAF CCCCc1ccc([C@]2(CCC(=O)O)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587487783 ITSUWYPHXDKPQD-VWLOTQADSA-N 410.510 5.413 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc3c1CN(C(=O)OC(C)(C)C)C3)CC2=O 587489870 WMXKXAGMGNPVEZ-QFIPXVFZSA-N 423.509 5.302 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OC(=O)c3cccs3)c1)CC2=O 587492842 CWERGADGVSYGAC-FQEVSTJZSA-N 408.475 5.332 0 1 HKAF Cc1cc([C@@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Br 587497089 BVPNLERVMQRWTG-QHCPKHFHSA-N 411.339 5.907 0 1 HKAF C[C@@H](Oc1cccc(C(F)(F)F)c1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587504561 FEZXJPWOHGOJRW-JLCFBVMHSA-N 404.428 5.776 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cc(Cl)ncc2c1 587554356 XBUSSOBRABUFHE-OFNKIYASSA-N 403.821 5.297 0 1 HKAF Cc1cccc(-c2nc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cs2)c1 587609896 DZEHIJJJUABGCH-NZQKXSOJSA-N 415.470 5.527 0 1 HKAF O=C(O)[C@H](c1cccc(Cl)c1)c1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 587629106 UPBPMOBQAUKXCP-LJQANCHMSA-N 414.263 6.497 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC(F)F)cc3)c(C(=O)C(=O)OC)c2c1 587643370 TXIFRIRKUKUPBR-LBPRGKRZSA-N 401.409 5.306 0 1 HKAF Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]c2ccc(Cl)cc12 587699279 PVHILRGPXFOOJS-HOGDKLEQSA-N 407.714 5.655 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2C(F)(F)F)N1 587713579 SRHXOFHMYMZSJM-VPTHRUTESA-N 422.647 5.884 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ncccc3F)o2)N1 587726857 LSGAFMCCUNXWKF-MLCYQJTMSA-N 405.242 5.006 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccc(F)cc2)N1 587737452 XSNRFXXWZHTYKO-DMZKTXOQSA-N 414.293 6.018 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2CN2CCCCC2)N1 587765187 ISGAFBKBBBWAFH-IVZQSRNASA-N 417.366 5.198 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccc(O)cc3)c2)N1 587833118 LZGTXQLZQJTLDH-MCMMXHMISA-N 412.302 5.584 0 1 HKAF COc1cc(O)cc(-c2cccc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c2)c1 587930476 COQKEQRXXPYTPW-UHFFFAOYSA-N 418.802 6.283 0 1 HKAF CC(=O)SCc1cc(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O 587946580 ZMPWTJLDUAFTFM-UHFFFAOYSA-N 413.470 5.088 0 1 HKAF C[C@@H]1CCCCCCCCCC[C@]12NC1(CC1)Cc1ccc(Br)cc12 961751537 RVTKMMSISDAQFC-JPYJTQIMSA-N 404.436 6.873 0 1 HKAF Cc1ccc([C@]2(C3CCCC3)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1C 962715897 PRLJNTIEVDYTAC-BKMJKUGQSA-N 409.614 6.240 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)C(c2ccccc2OC)(c2ccccc2OC)N1 962960259 WJYRIVWKHWIPJH-SFHVURJKSA-N 412.533 5.401 0 1 HKAF CN1C(=O)C[C@@H]2CN[C@](c3ccc(Cl)c(Cl)c3)(C(C)(C)C)c3cccc1c32 963014868 ASYOKUMFUPASAV-DMZKTXOQSA-N 403.353 5.336 0 1 HKAF Fc1cccc2c1[C@H](c1ncc(-c3ccc(Br)cc3)[nH]1)N1CCC[C@H]1C2 963102101 KDPKYGDVCBUFKG-OXJNMPFZSA-N 412.306 5.088 0 1 HKAF C[C@H](NC(=O)C1CC1)c1ccc(CN2Cc3ccc(OCC4CC4)cc3[C@@H](F)C2)cc1 1772653610 ZCCCBWVCVMGKAB-GKVSMKOHSA-N 422.544 5.089 0 1 HKAF C[C@@H]1CC2(CC[C@H]1CC(=O)O)CCN(c1cc(OC(F)(F)F)ccc1Cl)CC2 1772657394 NLNNWVPBXBVTLL-KGLIPLIRSA-N 419.871 5.736 0 1 HKAF CC(C)=CCCC(C)=CCC[C@](C)(O)[C@@H]1Cc2c(O)c(C=O)c(C)c(Cl)c2O1 2356332158 AKZMNMUPGWZYPW-CVDCTZTESA-N 406.950 5.694 0 1 HKAF CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)OC(CO)CO 2356654092 NPZWSBAEZZLYQU-UHFFFAOYSA-N 404.591 5.585 0 1 HKAF CCCCC[C@H](CCCC)[C@@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O 2356681685 CABQQMKYOHAMAC-NZQKXSOJSA-N 406.563 5.611 0 1 HKAF CCC(Br)=CC=CC[C@@H]1C[C@@H]2O[C@@H](C=C=CBr)C[C@H]2O1 2356792797 GURBJGFKZHKTEZ-VHJHNJJRSA-N 404.142 5.000 0 1 HKAF COc1cc(-c2ccc[nH]2)oc1C1=C2N=C3C=C2C(C)(C)[C@H]1CCCCCCCC3 2356804018 XQOBLAYPOTVLGB-SFHVURJKSA-N 404.554 7.166 0 1 HKAF CSc1ccccc1OCc1cc(C(=O)N(C)[C@@H]2CCCc3ccccc32)no1 12576913 ZNCUWEHKRXWUNV-HXUWFJFHSA-N 408.523 5.125 0 3 HKAF Cc1ccccc1-c1nc(CN2CCC[C@@H](C(=O)NC3CCCCCC3)C2)c(C)o1 5044295 WTXMYCXRYOIYBO-HXUWFJFHSA-N 409.574 5.009 0 1 HKAF Clc1ccc(CN(Cc2ccc(-c3ccccc3)cc2)n2ccnc2)c(Cl)c1 5974775 DDKYFNPCNDXBIA-UHFFFAOYSA-N 408.332 6.195 0 1 HKAF CC[C@]1(c2ccc(CCc3ccccc3)cc2)Oc2ccccc2-n2cccc2C1=O 13675364 YCAYBIHPNVWLEJ-MUUNZHRXSA-N 407.513 6.143 0 1 HKAF CC1(C)C=C[C@]2(C)CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 14617313 DAYKSLOBCZJGHS-BGWFOOKSSA-N 424.713 7.945 0 1 HKAF endogenous,in-man COc1ccc2c(c1CC=C(C)C)O[C@H]1c3cc(CC=C(C)C)c(O)cc3OC[C@H]21 15203465 OFTVQUQKDYNGED-RLWLMLJZSA-N 406.522 6.028 0 1 HKAF biogenic Cc1cc(C)cc(-c2[nH]c3ccccc3c2CCNCCCCc2ccc(O)cc2)c1 26016188 PACZUAOKBGMJAN-UHFFFAOYSA-N 412.577 6.312 0 1 HKAF Cc1ccc(C)c(C[C@@H]2N=C(c3ccc(O)cc3)c3cc(Cl)ccc3N(C)C2=O)c1 26992145 VGKRMNPTIYEHKB-QFIPXVFZSA-N 418.924 5.088 0 1 HKAF CCCN(CCC)[C@@H]1CCc2cc(CN(C(=O)OC)c3ccc(OC)cc3)ccc2C1 27407124 PNTBTATXSREBKG-XMMPIXPASA-N 424.585 5.448 0 1 HKAF Cc1ccsc1S[C@H]1C(=O)C[C@@](CCc2ccccc2)(c2ccccc2)OC1=O 36124867 WADIZWXIRXMEIC-URXFXBBRSA-N 422.571 5.562 0 1 HKAF CC(C)CCN1CC[C@@H](NC(=O)Nc2cccc3[nH]ncc23)c2cccc(Cl)c21 38268547 ILZMLSPSCRIAII-LJQANCHMSA-N 411.937 5.335 0 1 HKAF Clc1ccc(Oc2ccc(Nc3nc(-c4ccccc4)cs3)cc2Cl)cc1 40836239 YHSZKVJPJSGNRX-UHFFFAOYSA-N 413.329 7.653 0 1 HKAF CC(C)=CCc1c(O)cc(O)c2c1O[C@@H](c1cccc(Br)c1)CC2=O 45496843 IVXMXDBMLZPTMU-GOSISDBHSA-N 403.272 5.076 0 1 HKAF O=C(CSC[C@@H]1CCCN2CCCC[C@H]12)N1c2ccccc2Sc2ccccc21 71294785 IZNKKWAMYBRXGH-RBUKOAKNSA-N 424.635 5.814 0 1 HKAF COc1cncc([C@@](O)(c2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc2F)c1 72101883 OVWWPFDZGINFBK-IBGZPJMESA-N 411.782 5.186 0 1 HKAF CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)NCCC(C)C)CC[C@@H]32)C1 72134958 FPYGMKMGRVHQNZ-PERCSONFSA-N 403.695 6.685 0 1 HKAF O=C(c1ccccc1-c1ccc(OCCCN2CCCCC2)cc1)N1CCCCC1 72179466 BCFDOHOQDUCYBU-UHFFFAOYSA-N 406.570 5.235 0 1 HKAF COc1ccc(-n2nc3c(c2-c2ccc(Cl)c(Cl)c2)C(=O)CC(C)(C)C3)cc1 73219059 VNUYCNZSSAYKPF-UHFFFAOYSA-N 415.320 6.010 0 1 HKAF CC1(C)CC[C@@]2(C)CC=C3[C@@](C)(CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]2C1 95486089 DBCAVZSSFGIHQZ-GVAAALDMSA-N 424.713 8.377 0 1 HKAF biogenic,in-vitro CC1=C(/C=C/C2=NN(c3ccccc3)[C@@H](c3ccccc3Cl)C2)C(C)(C)CCC1 95587725 QNAKIEVOFAWVTC-KVACCUTFSA-N 404.985 7.730 0 1 HKAF O=C(CCc1coc2cccc(OCC3CCCCC3)c2c1=O)c1ccc(Cl)cc1 96258453 UBBDRNSUDPNFAT-UHFFFAOYSA-N 424.924 6.221 0 1 HKAF Nc1cccc2c(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ccnc12 103294326 WNEYODFCCHAQHU-UHFFFAOYSA-N 407.395 5.755 0 1 HKAF FC(F)Oc1ccc(-c2nnc3cncc(Oc4ccc5c(c4)CCCC5)n23)cc1 103303372 FYSOARLAJJFNEA-UHFFFAOYSA-N 408.408 5.064 0 1 HKAF Cc1cc(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(F)cc2C)cc(=O)[nH]1 143214779 CEWKJGUDXOKCAF-UHFFFAOYSA-N 420.362 5.194 0 1 HKAF c1ccc([C@H]2CCc3cc(Oc4ncc(CNCc5ccno5)s4)ccc3O2)cc1 145538793 QTKSTMQDFUPTCY-OAQYLSRUSA-N 419.506 5.280 0 1 HKAF O=S(=O)(c1ccccc1Cl)c1sc2ncccc2c1-c1ccc(Cl)cc1 149816212 MSIWKPPAXDHGNA-UHFFFAOYSA-N 420.342 6.103 0 1 HKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCCOc1ccccc1 201189300 CZKXOYAPOXVGMG-MLFLMRJSSA-N 423.641 7.327 0 1 HKAF O=C(Nc1ccc(CCN2CCCCC2)cc1)c1cccc(OCc2ccccc2)c1 205876968 KWNJCSHGOMXDKG-UHFFFAOYSA-N 414.549 5.546 0 1 HKAF C[C@@H]1CCCN1c1cccc(Nc2cc(-c3ccccc3Cl)nn3ccnc23)n1 207382483 RUQPCYMRRNVXIX-OAHLLOKOSA-N 404.905 5.177 0 1 HKAF C/C=C(\C)[C@H](O)[C@H](C)/C=C(C)\C=C/C[C@@H](C)/C=C\c1oc(OC)c(C)c(=O)c1C 238787966 PIYNCLUPGLBENL-ZMBOUPLBSA-N 400.559 5.770 0 1 HKAF C[C@H]1CC[C@@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 255212549 GMBQZIIUCVWOCD-FUKNDMCLSA-N 416.646 5.794 0 1 HKAF C[C@]12C=C[C@@]3(CC[C@@H]4[C@@](C)(COC(=O)/C=C/c5ccccc5)CCC[C@@]4(C)[C@@H]3CC1)C2 474609282 OSNIBJCAFVFUMH-FLLQWCDISA-N 418.621 7.212 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(Br)nccc4[nH]3)cc2)CC1 586881998 ZZMHZSCFYVHCTH-WKILWMFISA-N 412.375 6.851 0 1 HKAF Cc1ccc2c(ccc3nc(-c4cc(Cl)cc(Cl)c4Br)[nH]c32)n1 586976623 WPEDFPOKSVTRAB-UHFFFAOYSA-N 407.098 6.156 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(C)c(Cl)ccc2[nH]1 586980268 MJULLILEGLHWDJ-UHFFFAOYSA-N 400.707 6.053 0 1 HKAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587012297 QMDJZGZYMTXXJY-UHFFFAOYSA-N 409.514 5.817 0 1 HKAF CCc1ccc(-c2nc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)cs2)cc1 587016082 PCFNYNAJBQUSJV-UHFFFAOYSA-N 409.514 6.147 0 1 HKAF Clc1ncc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)s1 587023893 WMDNOWGDDMXGNT-UHFFFAOYSA-N 420.719 5.681 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncc(Br)cc4[nH]3)c21 587031936 WURCGCMEVUANFS-NSHDSACASA-N 413.344 5.679 0 1 HKAF FC(F)(F)c1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c1 587063355 LDEPOEYMRNENDR-UHFFFAOYSA-N 402.803 6.481 0 1 HKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cncc(Br)c4[nH]3)c2)cc1 587067497 CYQNGAUAUGNVPT-UHFFFAOYSA-N 414.690 5.200 0 1 HKAF Clc1cccc(COc2ccc(-c3nc4nccc(Br)c4[nH]3)cc2)c1 587072390 VKQPOTJPBWYRQW-UHFFFAOYSA-N 414.690 5.620 0 1 HKAF FC(F)(F)c1nc(Cl)[nH]c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)nc1-2 587083768 KMQBURWOFWYSCO-UHFFFAOYSA-N 410.186 5.359 0 1 HKAF COC(=O)c1cc2[nH]c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc2cc1OC 587094844 JLVNQWIKFLHKBT-UHFFFAOYSA-N 418.293 5.063 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)ccc2F)cc1 587139491 LWJFZSHGCCGXID-UHFFFAOYSA-N 422.459 7.031 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc4ccccc4cc3[nH]2)c(Cl)c1 587159814 UXMRPPPALAAIQP-HSZRJFAPSA-N 402.856 6.677 0 1 HKAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 587160747 GAKZUGLCFLNCIY-WDEREUQCSA-N 415.184 5.634 0 1 HKAF Fc1ccc(Oc2ccc(-c3nc4cc5cn[nH]c5cc4[nH]3)cn2)c(Br)c1 587161054 LJXUHJRCSYTBKJ-UHFFFAOYSA-N 424.233 5.195 0 1 HKAF CC(C)C[C@@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357876 WGXVHOOHNIYMGW-XNMGPUDCSA-N 418.508 6.308 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3c4c(c1)C(C)(C)CCN4CCC3(C)C)O2 587395783 SZJZGAXHVGTMCA-QFIPXVFZSA-N 404.554 5.453 0 1 HKAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cccs1 587412185 HSJJIDFAARTMAG-OAQYLSRUSA-N 409.507 5.323 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccc(OC(F)(F)F)cc1)(C(C)(C)C)[C@@H](C2)C3=O 587419531 COCLLGBICBNDEE-KKSFZXQISA-N 406.400 5.283 0 1 HKAF CCCCN(CCCC)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 587427684 FCEWNCNCDZSHMR-CJFMBICVSA-N 409.526 5.296 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccc(C)c(Cl)c3)cc1)CC2=O 587460987 IGBWBRYWULFTOF-SANMLTNESA-N 420.936 6.854 0 1 HKAF C[C@]1(c2ccc(-c3cccc(Cl)c3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498261 DRUXAHQYTDDGBU-AREMUKBSSA-N 402.921 6.766 0 1 HKAF C[C@@]1(c2ccc(Br)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587499073 QTTKKJALKBBOEG-DEOSSOPVSA-N 421.334 6.362 0 1 HKAF Cc1nn(C)c(Oc2ccc(Cl)cc2)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587502659 SHGAJSVMPFCKMA-NRFANRHFSA-N 422.912 5.760 0 1 HKAF Cc1cc([C@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F 587506771 PDZXNLCVJIUVOJ-SANMLTNESA-N 420.911 6.575 0 1 HKAF Cc1cc(OCc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)ccc1Cl 587509786 XFPULFGDBGJVHT-DEOSSOPVSA-N 422.908 6.406 0 1 HKAF CCOC(=O)CCCOc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521645 ITYLFPLLCFIMQL-AREMUKBSSA-N 422.521 5.168 0 1 HKAF CC[C@H]1CN=C(Nc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)S1 587537718 JRTSVXQPRGGLKD-UQBPGWFLSA-N 420.578 5.739 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccccc2Cl)no1 587549299 RMFCMMUQCQCUED-OFNKIYASSA-N 419.820 5.404 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cc(C(F)(F)F)cc1F 587550161 TYMAHIGSGAPMRT-YLJYHZDGSA-N 422.305 5.392 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cnc(Cl)cc2c1 587552066 NATGVAUUCFDASD-NZQKXSOJSA-N 403.821 5.297 0 1 HKAF Cc1ccc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587600378 BFNWDVFTFWJLPS-SQHAQQRYSA-N 408.453 6.071 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(Cl)ccc3Cl)c(C(=O)C(=O)OC)c2c1 587642933 WZLDUGDYNCFVCD-NSHDSACASA-N 404.293 6.011 0 1 HKAF CC[C@H](C)n1nc(C)c(Cl)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587694263 GLHVRDPJSJEUQQ-FJHFEUQMSA-N 414.750 5.341 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cccnc2Cl)N1 587707209 UUHNGHFWSAQZPK-ADLMAVQZSA-N 420.713 5.051 0 1 HKAF Cc1onc(-c2ccc(F)cc2)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587729037 BSFIMJQMNHXFNI-CFMSYZGJSA-N 419.269 5.314 0 1 HKAF CCCOc1ccc2[nH]cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587802829 NWSVCIRIIZFWTJ-LAJNKCICSA-N 417.322 5.482 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3)s2)N1 587847323 KJDYJJMSXCYPJM-ODXCJYRJSA-N 402.332 5.940 0 1 HKAF Cc1ccc(-c2ncc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 587852205 FBTRFIPJZRFSGI-BUXKBTBVSA-N 417.347 5.644 0 1 HKAF COc1cc2c(cc1OC)[C@@](c1ccsc1)(c1c(C)cccc1C)N(C)[C@H](C)C2 962619520 FKGBUZCYCIBKBZ-CJAUYULYSA-N 407.579 5.550 0 1 HKAF Cc1ccccc1-n1nc(C)c([C@H]2c3ccsc3CCN2Cc2ccco2)c1C 962707712 OAJBHJPDFGHGGO-XMMPIXPASA-N 403.551 5.600 0 1 HKAF Cc1sc2c(c1C)CCN[C@@]2(c1ccc(F)c(Cl)c1)c1ccccc1Cl 963011233 OQTGTAHHSCLHBT-NRFANRHFSA-N 406.353 6.248 0 1 HKAF CCCC[C@]1(CCCCCCC(=O)OCC)c2c(F)cccc2C[C@H]2CCCN21 963096133 CRYJWCUPCKXOJH-BWKNWUBXSA-N 403.582 6.135 0 1 HKAF O=C(CCC[C@@]1(c2ccccc2)NCCc2c(Cl)cc(Cl)cc21)c1ccccc1 963102655 DNDZEQVBQMGAKE-VWLOTQADSA-N 424.371 6.436 0 1 HKAF CC[C@@H](C)C[C@]1(CC)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccccc1N 963159059 PKGQFNLAIIOPBI-CRICUBBOSA-N 410.558 5.026 0 1 HKAF Cc1cc(OCC(=O)Nc2ccccc2O)cc(C)c1Cc1ccc(O)c(C(C)C)c1 1857544447 MKBIKOPYNPPUMH-UHFFFAOYSA-N 419.521 5.446 0 1 HKAF COc1c(CC=C(C)C)c(O)cc2c1[C@@H]1Oc3c(ccc4c3C=CC(C)(C)O4)[C@@H]1CO2 1857577257 WIMZOSBNDDLQEY-AVRWGWEMSA-N 420.505 5.703 0 1 HKAF Cc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc(O)c(F)c1 1857620361 JAXGIXGHVMPCQX-UHFFFAOYSA-N 411.436 5.177 0 1 HKAF CC(C)CC[C@@H](O)[C@@](C)(O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857626824 MPYAIDWTDSTPEU-QCHOZIBHSA-N 420.678 5.554 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@@]4(C)[C@@H](CC[C@]21C)O3 2356479908 IKUYBMRKMWNUMR-WYAXCQSHSA-N 414.674 7.137 0 1 HKAF C[C@](O)(CCCCCCCCCCCCc1ccccc1)C[C@@]1(C)OC(=O)C[C@@H]1O 2356495005 APUHCCTYZGXKTG-AYRHNUGRSA-N 418.618 5.728 0 1 HKAF CC(C)CNC(=O)C=CC=CCCCCCCCC=CCc1ccc2c(c1)OCO2 2356519260 UJRIYGLYYIVULW-UHFFFAOYSA-N 411.586 6.129 0 1 HKAF CC(=CCN1[CH]N(C)c2ncnc(N)c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c1ccc(F)cc1)c1c(-c2ccccc2Cl)noc1-c1ccccc1 774501 ZJEDYUKDOBOJQS-UHFFFAOYSA-N 420.871 5.774 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(Br)ccc3OC)c(CC(=O)O)c2c1 3746022 YTGOLXGLVNVBDE-LBPRGKRZSA-N 416.315 5.747 0 1 HKAF CCc1nc2c(C)cc(C)nc2n1Cc1ccc([C@H](CC(=O)O)c2ccccc2)cc1 13756107 RSMFWJIZTSRLNS-JOCHJYFZSA-N 413.521 5.265 0 1 HKAF CN(CCC1CCN(Cc2ccc(F)cc2)CC1)C(c1ccccc1)c1ccccc1 13862279 XECVUVIVFRIMFV-UHFFFAOYSA-N 416.584 6.149 0 1 HKAF C/C(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/CO)[C@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 15156993 OOJOUQLXWXASLN-OCGXTIKHSA-N 410.598 5.751 0 1 HKAF endogenous,in-man Cc1ccccc1Nc1nc(-c2cc(Br)ccc2F)nc2nccnc12 28822255 XPTYKKWYRFIVSP-UHFFFAOYSA-N 410.250 5.040 0 1 HKAF Cc1ccc(Sc2c(/C=C3\SC(=S)N=C3O)c(-c3ccccc3)nn2C)cc1 28822836 CBBMJOORZATFQI-ATVHPVEESA-N 423.588 5.876 0 1 HKAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=S)CC[C@@]4(C)[C@@H]3CC[C@]12C 29408888 UYQBCVKVDBCQNJ-LDRBJFAESA-N 404.664 5.135 0 1 HKAF Cc1ccc([C@H]2c3[nH]c4c(C)cccc4c3CCN2C(=O)CCc2ccccc2)cc1 34661221 URCBLMVYIHKNIB-NDEPHWFRSA-N 408.545 5.892 0 1 HKAF O=C(CCCCCO)c1ccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1 58582839 HVIBBAUXKFCMME-UHFFFAOYSA-N 404.350 6.127 0 1 HKAF O[C@@]1(c2ccc(Cl)cc2)C[n+]2cccnc2N1C1CCCCCCCCCCC1 72106797 SBXHYWZGFGSHOG-XMMPIXPASA-N 415.001 5.361 0 1 HKAF CCOc1ccc(-c2sc(N)nc2-c2cc(OC)c(OC)c(OC)c2)cc1Cl 72109770 ZINYZXJXYHAMRW-UHFFFAOYSA-N 420.918 5.137 0 1 HKAF CCCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(F)cc1 82136218 KKXOKNYEZJNKIA-SLWXAUBPSA-N 424.564 5.295 0 1 HKAF OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5[nH]ccc45)c(Cl)c3)c21 84651946 GSDQZJWVOBCWHP-UHFFFAOYSA-N 419.872 5.094 0 1 HKAF CC1=C2C[C@@]34CC[C@H]5CCC[C@@H](C6=CCC7=C6[C@@H]3N3C[C@]36CCC[C@@H]6C7)[C@]4(C)[C@@]25CC1 85548190 OGBNNUCMJFMTRR-UWIQKGHMSA-N 413.649 6.957 0 1 HKAF biogenic,in-vitro Cc1ccc(C(C)(C)C)c(SC2=C(O)C[C@@H](CCc3ccc(O)cc3)OC2=O)c1 100365095 VRVUPLCGMXHTMC-GOSISDBHSA-N 412.551 5.808 0 1 HKAF OC1=C2C(=Nc3nc(SCc4ccccc4)nc(O)c3[C@H]2c2cccnc2)CCC1 100705027 NDGDOKRLKCKLJH-SFHVURJKSA-N 416.506 5.084 0 1 HKAF CC(C)(C)c1cc[n+](/C=C2\C=CC3=CC/C(=C\[n+]4ccc(C(C)(C)C)cc4)C=C3C2)cc1 101388428 QWNIAMHRNCGDAT-MBALSZOMSA-N 424.632 6.455 0 1 HKAF S=c1[nH]c2c(c(=S)[nH]1)[C@@H](c1cccc(Br)c1)C1=C(CCCC1)N2 103163693 AXFHQASDCPKFLS-ZDUSSCGKSA-N 406.374 5.950 0 1 HKAF CC(=O)Nc1ccc(-c2ccc3[nH]c(/C=C/c4ccc(C(C)(C)C)cc4)nc3c2)cc1 117139152 CLJKPPFPTNVVAQ-FRKPEAEDSA-N 409.533 6.656 0 1 HKAF c1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@H]32)cc1 169291439 CJFITVUYKIGKBQ-ZRRKCSAHSA-N 403.550 7.416 0 1 HKAF O[C@H](C[C@H]1CCCCN1)[C@@H]1CC(c2ccccc2)=Nc2c(Cl)cc(Cl)cc21 169335310 CPJBOOQQIJJGOX-CBGDNZLLSA-N 403.353 5.495 0 1 HKAF CC(C)c1nsc(N2CCC(CCCNc3ccc4c(O)coc4c3)CC2)n1 169727990 NWYOSKDGRRMXMP-UHFFFAOYSA-N 400.548 5.222 0 1 HKAF CC[C@@H]1CC(=O)[C@@H]2C(=NC(C)=C(C(=O)OC)[C@@H]2c2ccc(-c3ccccc3)cc2)C1 169728319 FHKDTGWGHCMOOQ-HDBFHEOPSA-N 401.506 5.344 0 1 HKAF CC[C@H](CCC[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]21C)C(C)C 255213818 GSPWCMGYYCJPTF-ZXCPDUSRSA-N 402.707 7.859 0 1 HKAF Cn1c2c(c3ccccc31)-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O 586988106 ZFPQQOILVBGLSN-UHFFFAOYSA-N 402.453 5.409 0 1 HKAF Cc1onc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1COc1ccccc1Cl 587063390 MEDOXEZETWHSQO-UHFFFAOYSA-N 411.742 5.315 0 1 HKAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587170410 PZOXSVAXBMVAPV-VIFPVBQESA-N 404.816 6.150 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587192687 ZGKCAKSXSZYBSB-QGZVFWFLSA-N 409.383 5.076 0 1 HKAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587195376 IZKIRROKCDJJBY-SNVBAGLBSA-N 412.253 5.562 0 1 HKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587238315 GPGXGFQIVNHYJS-UHFFFAOYSA-N 414.406 6.330 0 1 HKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3c(Br)ccnc3[nH]2)c1 587239026 SICJKLIUPKKLQS-UHFFFAOYSA-N 408.303 5.330 0 1 HKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc(F)c(Br)c3[nH]2)c1 587242626 WCZSXSPGCJCCOU-UHFFFAOYSA-N 404.283 5.506 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3c(Cl)cccc32)[C@@H]1c1ccc(F)cc1 587337067 ZPBORYSNMZMVAO-ISKFKSNPSA-N 408.856 5.775 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)CC[C@@]31Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343811 DPGXYYVBUSHIIF-OZXSUGGESA-N 413.448 5.522 0 1 HKAF C[C@@]1(CC23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349952 CYXONGCMJUQSER-BZZUPMGDSA-N 420.524 6.255 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)[nH]c3ccc(Br)cc13)O2 587370251 CZPVSVJYAYZZFW-OAHLLOKOSA-N 405.679 5.181 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Oc3ccc(F)cc3F)cc1)CC2=O 587468495 XIHBCYDSJWYMBO-RUZDIDTESA-N 424.443 6.296 0 1 HKAF O=C1C[C@@]2(CCCc3nc(-c4ccc(F)cc4)sc32)Oc2c1ccc1c2CCCC1 587508205 OHSFPYKYSQCYCV-RUZDIDTESA-N 419.521 6.025 0 1 HKAF O=C(C[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)Nc1ccccc1 587511467 KZZVIGJKFOMORC-HHHXNRCGSA-N 411.501 5.455 0 1 HKAF COc1ccc(O)c([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587524809 MWXYRODODHRXFQ-SANMLTNESA-N 400.474 5.189 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCc1ccc(Cl)cc12 587550456 BALOMJROVOUBMK-XUZZJYLKSA-N 406.865 5.629 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ccco1 587567814 CGDBLIGHFPCZFA-URXFXBBRSA-N 402.377 5.030 0 1 HKAF CCCCC[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611741 TWYURIMMDBBBMB-RDGATRHJSA-N 404.462 5.535 0 1 HKAF Fc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(F)(F)F)c(F)c1 587621989 SLNKUVGYTWUCEO-UHFFFAOYSA-N 416.147 5.771 0 1 HKAF CCN(C(=O)c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12)c1ccccc1C 587622632 FCTGOLFHUUYDDE-UHFFFAOYSA-N 411.303 5.090 0 1 HKAF CCCCc1c(-c2c(O)cc(OC)c(Cl)c2O)[nH]c2ccc([C@@H](C)CC)cc12 587637914 BHAZMAACFLEREH-ZDUSSCGKSA-N 401.934 6.764 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccccc3Cl)no2)N1 587693608 DYRPJGHXLHBQIC-GIGQVBGESA-N 421.697 5.520 0 1 HKAF COc1c(Cl)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587696460 UKBZLBCZQJUYCR-BCTVWOGZSA-N 419.121 5.527 0 1 HKAF Fc1cc(C(F)(F)F)c2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2c1 587783515 BSTCLNCDOIILRT-DHZHZOJOSA-N 412.386 6.470 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2c[nH]c3ccccc23)N1 587801899 IBGNMSIEYXWLET-ASSNKEHSSA-N 401.323 5.452 0 1 HKAF COc1ccc([C@]2(C(C)(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587805038 CWOMQODZFPDDCO-ZSEKCTLFSA-N 406.339 5.421 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccccc3)C[C@@H](C)C2)N1 587816863 FEMNXIDBCDTBGL-CAAIWKOSSA-N 402.351 5.922 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC2(O)CCCCC2)(C(C)(C)C)N1 587819909 CCOIVYNXJSFMMW-LHSJRXKWSA-N 412.387 5.449 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccccc3)o2)N1 587828136 MLYIHWQOOLWCDH-YUNKPMOVSA-N 402.263 5.597 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc3ccc(Cl)nc23)N1 587859334 VYHBJXRZHYSQJH-WNWIJWBNSA-N 411.727 5.475 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(F)cnc2[nH]1 587959285 KVNYMXUBYYLZBY-UUQHCRCUSA-N 421.604 7.951 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cnnc(O)c2[nH]1 587961264 SDDHKVPPVMVDPQ-UUQHCRCUSA-N 420.601 6.913 0 1 HKAF COc1ccc2c(c1)[C@@](c1ccc(Cl)cc1F)(C1CCCCC1)N(C(C)C)CC2 962088338 FJGYMYGTNGENJV-VWLOTQADSA-N 415.980 6.578 0 1 HKAF Cc1ccc(CC[C@]2(c3ccccc3F)c3c(F)cccc3C[C@H]3CCCN32)cc1C 963098760 HDHSLCJHOYRMGY-LXFBAYGMSA-N 417.543 6.479 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(COc1ccccc1)c1ccc(Cl)cc1 963257569 KUCSKTZOAXGORZ-FQRUVTKNSA-N 405.969 6.319 0 1 HKAF CCCCCCN1CC[C@H](CC[C@H](O)c2ccnc3ccc(OC)cc23)[C@@H](CC)C1 1772570449 XIOSYABBIYIWTR-WOVHNISZSA-N 412.618 5.985 0 1 HKAF COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3c4ccc(OC)cc4CCN32)cc1 1772611231 KMEGVCFAXDEADV-BDYUSTAISA-N 410.517 5.430 0 1 HKAF O=c1c2ccccc2oc2c(Cc3ccc(O)cc3)[nH]c(-c3cccnc3Cl)c12 1772637065 TXPTVBXMRUHLIX-UHFFFAOYSA-N 402.837 5.286 0 1 HKAF COc1ccc(Sc2ccccc2-c2cn(-c3c(OC)cccc3OC)nn2)cc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c1cc(O)cc(-c2cccnc2O)c1O 2356824608 GWMPSZIOAYAGPH-MCRPIMJISA-N 407.554 6.207 0 1 HKAF COc1ccc(Nc2nc3c(N)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc1 1629468 CQKCOXZIDJJZCO-UHFFFAOYSA-N 410.399 5.650 0 1 HKAF CC(C)=CCC[C@@]1(C)C=Cc2c(cc3oc(-c4ccc(O)cc4O)cc(=O)c3c2O)O1 13374703 YLMPUSYATCNAJD-VWLOTQADSA-N 420.461 5.488 0 1 HKAF biogenic c1ccc(CCN2[C@H]3CC[C@@H]2CC(c2c(-c4ccccc4)[nH]c4ccccc24)C3)cc1 13862722 QOUVFTQPYVSKEQ-QILAJZQNSA-N 406.573 6.788 0 1 HKAF C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43CCSc3ccccc3)[C@H]1CCC2=O 14947043 CVDBWXQIMAZHCH-MRGHISEYSA-N 406.591 6.170 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 15449194 GMBQZIIUCVWOCD-XKFKJUOJSA-N 416.646 5.794 0 1 HKAF O=C1CS[C@@H](c2cnccc2-c2ccc(Br)cc2)N1C1CCCCC1 28819554 IMUCSPIWXNWALG-FQEVSTJZSA-N 417.372 5.418 0 1 HKAF CCc1cccc(-c2csc(NC(=O)c3ccc(Nc4ccncn4)cc3)n2)c1F 28952566 ASAGNHDLPBTEOJ-UHFFFAOYSA-N 419.485 5.298 0 1 HKAF O=C(N[C@@H](Cn1ccnc1)c1ccccc1)c1ccc(-c2ccc(Cl)cc2)cc1 34629627 CIFIVCCKVZFJFT-QHCPKHFHSA-N 401.897 5.375 0 1 HKAF in-vitro CCCCNc1nc2c(c(C)nc3sc4c(c32)CCCC4)c(=O)n1-c1ccccc1 45253608 SRAFQWTXDRRPSO-UHFFFAOYSA-N 418.566 5.395 0 1 HKAF Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccccc3)c(-c3cccc(Cl)c3)c12 45385068 KOKPBJXCYUQGQK-UHFFFAOYSA-N 414.844 6.399 0 1 HKAF Cc1cc(OCc2nc(C)c(-c3ccc(Cl)cc3)s2)ccc1OCC(=O)O 49785492 HUVSXNPATVUAJN-UHFFFAOYSA-N 403.887 5.123 0 1 HKAF CCCCN(C(C)=O)c1ccc2c(c1)[C@H]1C[C@@H]2CCN1C(=O)OCc1ccccc1 61942450 GLIXECOSZKZGEU-GBXCKJPGSA-N 406.526 5.411 0 1 HKAF CC(=O)c1ccc(-c2ccc(Cl)c(C(=O)NCCc3ccccc3Cl)c2)nc1 72179253 OMOVQYZUXNGELQ-UHFFFAOYSA-N 413.304 5.231 0 1 HKAF Cc1ccc(-n2nc(C)c3c2OC[C@H]2CSc4nc5c(C)cccc5cc4[C@@H]32)cc1 95589237 JJODXORSZDCZEC-AVRDEDQJSA-N 413.546 5.592 0 1 HKAF CCOC(=O)c1c[nH]nc1-c1sc(N(C)c2ccccc2)nc1-c1ccccc1 96937381 AAVRKHHHPPZDDP-UHFFFAOYSA-N 404.495 5.145 0 1 HKAF COc1ccc([C@H](Nc2ccc(OC)c(OC)c2)c2c(C)[nH]c3ccccc23)cc1 103247888 CBUUIRGCKAEAJC-VWLOTQADSA-N 402.494 5.704 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)CCC[C@@]45C[C@]35CC[C@]12C 120656798 BSLYZLYLUUIFGZ-MHNVFMJLSA-N 412.746 9.278 0 1 HKAF Cc1ccc(C(=O)C[C@H]2CCOC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 169700058 CWHYTYQDAOYTJR-QGZVFWFLSA-N 414.505 5.168 0 1 HKAF CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1nc2ccc(C)cc2n1C 169722385 YUAWDQIYHMJFCW-SFTDATJTSA-N 424.335 5.864 0 1 HKAF CC(C)=C[C@H](O)C/C(C)=C/Cc1c(O)cc(O)c2c1O[C@H](c1ccccc1)CC2=O 238735198 OZGKAPGLVKJUDB-IJGHAHSZSA-N 408.494 5.010 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255194975 AMNBDMZNFAQUHN-PMRGTOLRSA-N 402.707 7.715 0 1 HKAF C[C@@H]([C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C)N(C)C 257620487 XHAWQUMRBLUKQA-XIOGURMISA-N 416.738 6.552 0 1 HKAF CC(C)=CCC/C(C)=C/CC[C@@](C)(O)[C@@H]1Cc2c(O)c(C=O)c(C)c(Cl)c2O1 299819162 AKZMNMUPGWZYPW-HHYXJYCZSA-N 406.950 5.694 0 1 HKAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)SC(C)(C)C)CC[C@H]4[C@@H]3CC[C@H]12 299821192 ZTCPRLTVZUYVAK-NOBFDZGFSA-N 405.648 5.524 0 1 HKAF COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)noc2NC(=O)CC(C)C)cc1 299836193 MFKOZLZVTYQGHU-UHFFFAOYSA-N 416.861 5.066 0 1 HKAF CCn1ccc2c3c(OC(=O)OCc4ccccc4)cc(-c4ccccc4)nc3ccc21 473113291 IJMCCQZDRWXQNY-UHFFFAOYSA-N 422.484 6.592 0 1 HKAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 586885661 COXCIEAEQMVNBK-QFYYESIMSA-N 402.338 5.746 0 1 HKAF CCCCCOc1cc2nc(-c3sc(C4CC4)nc3C)[nH]c2cc1Br 587011504 IBPSJTCHYFAARN-UHFFFAOYSA-N 420.376 6.204 0 1 HKAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(Cl)cc3[nH]2)c1 587047851 ARSIVORYXDHJAN-CMDGGOBGSA-N 417.296 5.260 0 1 HKAF FC(F)(F)c1cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2cc1Br 587084524 OKUIHASCJMHCJN-UHFFFAOYSA-N 411.008 5.713 0 1 HKAF FC(F)(F)CSc1cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)ccn1 587092135 SBSCWDLMPOIYNK-UHFFFAOYSA-N 423.645 5.090 0 1 HKAF Cc1ccc2c3c(cc(-c4cn(CCN)c5ccccc45)nc13)-c1ccccc1C2=O 587098635 REPOOPWMYWZWHP-UHFFFAOYSA-N 403.485 5.335 0 1 HKAF Cc1cnc(Cl)c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)[nH]c12 587114184 PTPWFJWIOOEOKU-UHFFFAOYSA-N 403.791 6.398 0 1 HKAF Clc1cc(I)cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 587182964 RMMCMHSEVCJIHT-UHFFFAOYSA-N 424.456 5.190 0 1 HKAF CNc1cccc(-c2cccc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c2)c1 587233572 SSQLUMCXJPTEKM-UHFFFAOYSA-N 405.501 6.518 0 1 HKAF C[C@]1(c2cc(Cl)cc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327892 IBLACWGVEGXPHQ-IFMALSPDSA-N 417.263 6.112 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2c2ccccc2)[C@@H]1c1ccc(F)cc1 587355366 UQBGGZWQGBSWBD-NOOIUNMQSA-N 402.465 5.987 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3c(C)c(Br)ccc13)CC2=O 587457041 DQZIHFVLZGEOSD-IBGZPJMESA-N 414.299 5.603 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(CN3CCC(C)CC3)c(C)cc1C)CC2=O 587474468 HKHJDADRLYMJKN-AREMUKBSSA-N 421.581 5.900 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc3c1ccn3C(=O)OC(C)(C)C)CC2=O 587475731 OIMZWVMGWIGLGH-QFIPXVFZSA-N 421.493 5.789 0 1 HKAF O=C1C[C@H](c2cnn(-c3ccc(Br)cc3)c2)Oc2c1ccc1c2CCCC1 587496049 HJVWVMMPBGUYCE-OAQYLSRUSA-N 423.310 5.220 0 1 HKAF CC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc2O1 587500811 YEMKIPOBCRKMRK-JOCHJYFZSA-N 411.295 5.485 0 1 HKAF C[C@@]1(c2ccccc2OCc2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587508048 XYYJGHVJPAMBOG-MHZLTWQESA-N 416.492 6.164 0 1 HKAF O=C1C[C@@H](c2ccccc2OC/C=C/c2ccccc2)Oc2c1ccc1c2CCCC1 587526197 SGEQOVCQIUNTHI-HSDHKRTLSA-N 410.513 6.364 0 1 HKAF COC(=O)c1cc([C@]2(C3CCCCC3)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 587528369 YHVPCJNQGSRFDT-RUZDIDTESA-N 407.510 5.121 0 1 HKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)cc1Cl 587542888 JSFWOKXGHFYYQV-WIYYLYMNSA-N 401.245 5.710 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1cc2ccccc2o1 587594436 LIRQKUKCIYQMQC-SQJMNOBHSA-N 424.412 5.231 0 1 HKAF CCCCCCc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587603835 RWIQAHDKWPCSQT-SHQCIBLASA-N 416.517 6.392 0 1 HKAF CCOC(=O)c1c(-c2ccc(Br)cc2F)[nH]c2c(C)cc(Cl)cc12 587624466 JVTWSBOYRUXICM-UHFFFAOYSA-N 410.670 5.875 0 1 HKAF CCOC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccc(C(F)(F)F)cc1 587629921 NUNOKOFDUCNJEX-UHFFFAOYSA-N 413.754 5.387 0 1 HKAF Cc1cc(C)c2nc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)sc2c1 587656862 KDSAHUPAXBURKY-UHFFFAOYSA-N 419.456 5.557 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(Cl)c(Cl)c2)N1 587705267 LYRWTSZCQPBZHL-BCTVWOGZSA-N 404.110 5.088 0 1 HKAF Cc1nc(C(F)(F)F)ccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587713297 NADGBLFQUAPZLW-HUTHGQBESA-N 417.244 5.108 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2F)N1 587713415 CFZIKAHJYBQVCX-PWJLMRLQSA-N 417.091 5.113 0 1 HKAF Cc1cc(C)c2[nH]c(C)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587800162 APVIFHBRCFUNAQ-GTJPDFRWSA-N 401.323 5.618 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3ccccc3)c2)N1 587812049 PBDLDHYMDWUANN-JLCFBVMHSA-N 412.302 6.004 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3cccc(C(=O)O)c23)N1 587825014 FLAQORHLEQKVAT-YBTHPKLGSA-N 414.274 5.063 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1ccccc1OC 587858385 HKPIQOZXVUERPX-UHFFFAOYSA-N 405.281 5.147 0 1 HKAF COc1ccc(-c2ccc(-c3nc4c(C)c(Br)ccc4[nH]3)cc2)cc1OC 587928039 WSFABXKMISBBLA-UHFFFAOYSA-N 423.310 5.985 0 1 HKAF CC(C)=CCCC[C@]1(C)C=Cc2cc(-c3coc4cc(O)cc(O)c4c3=O)ccc2O1 653801587 GHMQWBVIVXQWHJ-AREMUKBSSA-N 418.489 6.172 0 1 HKAF c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@H]3c3cccc(-c4ccsc4)c3)C2)cc1 962629838 CMERYNKHCYZGCD-XTEPFMGCSA-N 422.597 6.251 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(C[C@](N)(c2ccc(F)cc2)C(F)(F)F)N1 962949676 QHUFXWBCMOSLAD-HVETUWLQSA-N 419.466 5.253 0 1 HKAF COc1cccc2cc3c(nc12)[C@](Cc1ccccc1)([C@H]1CCOC(C)(C)C1)NCC3 963049866 BGGGKFWWBJDRTH-CUNXSJBXSA-N 416.565 5.032 0 1 HKAF Cc1ccccc1COc1c(C)cc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1C 963100597 KFWYUSKXTBSUOE-AHKZPQOWSA-N 415.552 6.440 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@H]1c1ccc(OC)c(OCc2ccccc2F)c1 963229739 OZNAAUFSFZCEEY-XHCCPWGMSA-N 419.540 6.159 0 1 HKAF C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(-c4ccc5occc5c4)cc3c21 1772628326 BOQSIMXXHDYDJU-HNNXBMFYSA-N 408.436 6.141 0 1 HKAF C[C@@H]1[C@@H](N(C)C)CC[C@]23C[C@@]24CC[C@]2(C)[C@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13 2356425026 CYRRFNXMEABDML-BQSJAKDGSA-N 400.695 5.916 0 1 HKAF CC(C)=CCCC=C(C)Cc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O 2356484844 JKLKEFNYCCESHZ-HSZRJFAPSA-N 408.494 5.745 0 1 HKAF C=CC(C)=CC[C@@H]1C(C(=O)N[C@H](C)c2ccccc2)=CC[C@H]2C(C)(C)CCC[C@@]12C 2356498922 MSTFSWXMCDISCF-IWNAYQHTSA-N 405.626 7.165 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)N(CCc4ccccc4)C3=CC[C@]21C 2356608941 KJDSEFLYDWGLDK-NKJREKCFSA-N 417.637 6.802 0 1 HKAF CC(C=CC=C(C)C=C[C@]1(O)C(C)(C)CCC[C@@]1(C)O)=CC=CC=C(C)C(=O)O 2356632254 YBWOXWSKTIHNHZ-RPBOFIJWSA-N 400.559 5.271 0 1 HKAF CC(C)(C)c1noc(-c2ccccc2)c1C(=O)NCc1cccc(C(F)(F)F)c1 776250 CCQFHGFRKYWMEQ-UHFFFAOYSA-N 402.416 5.588 0 1 HKAF CC[C@@]1(c2cc(F)cc(OCc3ccc4c(ccc(=O)n4C)c3)c2)CCO[C@@H](C)C1 3804789 KGFOIXZAHKGALA-SSOJOUAXSA-N 409.501 5.103 0 1 HKAF CCCCCCN(CCCCCC)C(=O)NC(CC)(C(F)(F)F)C(F)(F)F 5244627 ZHGKSVWMVIEYFH-UHFFFAOYSA-N 406.455 6.432 0 1 HKAF biogenic O=C(c1ccoc1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 6579207 KZKYZZKICCXPDX-IZZNHLLZSA-N 414.549 5.015 0 1 HKAF Oc1cc(NCC2=CCC[C@H]2NCc2ccc(Cl)c(Cl)c2)nc2ccccc12 13488727 NRQJYKHLMIPWMQ-LJQANCHMSA-N 414.336 5.538 0 1 HKAF CC1(C)CCC(C)(C)c2cc3c(cc21)CCc1c(-c2ccc(C(=O)O)cc2)csc1-3 13742717 QODMNILWTLDKLN-UHFFFAOYSA-N 416.586 7.228 0 1 HKAF Cc1cc2c(c(C)c1Cl)[C@@H](c1ccc3c(c1)OCO3)C[C@](O)(c1ccccc1)O2 13829997 KYYVRYSZSONILS-HOYKHHGWSA-N 408.881 5.445 0 1 HKAF CCCCCC[C@@]1(c2ccccc2)CC(=O)[C@H](SCCc2ccccc2)C(=O)O1 17720303 CUWRUSVMGVDZOP-ZCYQVOJMSA-N 410.579 5.713 0 1 HKAF N=C(N)c1ccc2cc([C@H]3C[C@@H]3c3ccc4c(c3)C(C3CCCCC3)=NCC4)ccc2c1 28366626 OOFRCFJPOZMMHV-CLJLJLNGSA-N 421.588 6.320 0 1 HKAF Cn1cc(-c2ccccc2Cl)c([C@@H](c2ccc(Cl)cc2Cl)n2ccnc2)c1 28471390 FUGSXPGNPCJSFO-OAQYLSRUSA-N 416.739 6.487 0 1 HKAF Cc1ccc(C[C@@H]2CO[C@@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 28768339 BGORGGDNYKIBTJ-WIYYLYMNSA-N 403.309 5.009 0 1 HKAF S=C(Nc1ccccc1)Nc1ccc(-c2n[nH]c(=S)n2-c2ccccc2)cc1 29413493 DKZXSGMTPYBWHA-UHFFFAOYSA-N 403.536 5.406 0 1 HKAF Cc1cc(CCCC(=O)O)ccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 38157811 ZSPIRWTWXYOJOE-UHFFFAOYSA-N 404.510 6.167 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 39205932 YSKVBPGQYRAUQO-HBPBZKQKSA-N 414.718 8.025 0 1 HKAF Clc1cccc(-c2ccc(Oc3cncc4sc(-c5nnn[nH]5)cc34)cc2)c1 40950150 ZYNRVENAGUBQCM-UHFFFAOYSA-N 405.870 5.589 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4cccc(CNCc5cccc(N)c5)c4)s3)nc12 45195022 ZWSSUUNOVJISGU-UHFFFAOYSA-N 424.573 6.139 0 1 HKAF COc1ccc(Nc2ncnc3ccc(NC(=S)Nc4cccc(F)c4)cc23)cc1 45316943 LCVRAQLCRUDZAI-UHFFFAOYSA-N 419.485 5.330 0 1 HKAF Cc1cc(C)nc(Oc2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)n1 66077702 GDNINTDMWRQTRM-UHFFFAOYSA-N 418.375 5.428 0 1 HKAF C[C@H]1C[C@@H](C)CN(c2ncc(-c3nc4ccccc4s3)c(-c3ccc(F)cc3)n2)C1 82164585 OQSHMWCWIOYBHD-IYBDPMFKSA-N 418.541 6.042 0 1 HKAF CC1(C)CCC(C)(C)c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc21 84710130 OSMRVNLMPJCZLM-UHFFFAOYSA-N 404.598 5.430 0 1 HKAF CCN(Cc1ccccc1)C(=O)Nc1cc(-c2ccc(OC)cc2)sc1C(=O)O 96924209 NCUBQUPZDSYQSP-UHFFFAOYSA-N 410.495 5.176 0 1 HKAF Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@H]1CC(c1cccnc1)C2 100091089 RNSCIRIAXYVNLI-PMACEKPBSA-N 423.387 6.888 0 1 HKAF CC[C@@H](Cc1cc(Cl)cc(Cl)c1)NS(=O)(=O)c1c(C)cc(C)cc1C 103251358 YBIHCFXAMSLIHT-SFHVURJKSA-N 400.371 5.218 0 1 HKAF CC(C)[C@@H](C)[C@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118923970 CMQUZVIEHACIBO-GELRKQERSA-N 412.702 7.491 0 1 HKAF Cc1cccc(Nc2nc(-c3ccc(-c4ccnc(OC(C)C)c4)cc3)cs2)n1 143197146 MHIYYJYNJBTRFP-UHFFFAOYSA-N 402.523 6.106 0 1 HKAF CC(C)=CCC/C(C)=C\C=C/C1=C[C@@]2(C)C[C@@]1(C)[C@@H](/C=C(\C)CCC=C(C)C)CC2=O 169355795 XWYRFBXKAWNVEG-JQPCVUTKSA-N 420.681 8.860 0 1 HKAF COc1ccc(-c2nc(CSc3ccc(F)cc3F)nc3ccsc23)cn1 299841419 ZTBJMUIWPATAJP-UHFFFAOYSA-N 401.463 5.332 0 1 HKAF Cc1ccc2c(c1)nc(C)n2[C@H]1CC[C@@H](NC[C@@H]2Cc3ccc(Cl)cc3C2)CC1 299845059 HNBFYJSHZBDBEP-YSZBQJHXSA-N 407.989 5.795 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](OC(=O)CCc3cccc(O)c3)CCC[C@@]21C 299866943 XBMKOFXNJYPJEB-RWDSZGCBSA-N 414.630 6.915 0 1 HKAF CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cccc(Nc2ccccc2)c1 584904877 RFOPQFVGWFBJRC-UHFFFAOYSA-N 407.513 7.211 0 1 HKAF in-vitro Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 586885658 COXCIEAEQMVNBK-HWPZZCPQSA-N 402.338 5.746 0 1 HKAF CC(C)(C)c1cc(N)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)s1 586992992 CQLGWIMHEDHFBX-UHFFFAOYSA-N 400.503 5.760 0 1 HKAF CCn1cc(Br)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)n1 586994286 XDRUCBFLYXHWEU-UHFFFAOYSA-N 418.294 5.401 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(N5CCOCC5)c(F)c4)nc13)-c1ccccc1C2=O 586996824 SOYYOALBUOVVKF-UHFFFAOYSA-N 424.475 5.397 0 1 HKAF FC(F)(F)Oc1cc(Br)cc2[nH]c(-c3cc4c(s3)CCC4)nc12 587032890 CQBQVLDFZNSEBF-UHFFFAOYSA-N 403.223 5.441 0 1 HKAF CCc1ccc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c2c1 587040411 ZPLSVYYUYMVYET-UHFFFAOYSA-N 416.575 6.398 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 587077251 SOHOAAAOMUCKEC-AWEZNQCLSA-N 400.187 5.506 0 1 HKAF Cc1ccc2c3c(cc([C@@H]4CN(Cc5ccccc5)CCO4)nc13)-c1ccccc1C2=O 587097209 MHLNWDVKWCHJRG-VWLOTQADSA-N 420.512 5.328 0 1 HKAF COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1C(C)(C)C 587099235 WXEAQCXIRRSNBZ-UHFFFAOYSA-N 407.513 6.728 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(-c4ccccc4F)s3)nc3cccc1c23 587103594 LAXXIOONJOESRH-UHFFFAOYSA-N 407.469 6.981 0 1 HKAF FC(F)(F)c1nc2ccncc2cc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587116471 YLDORSYSGJSGGY-UHFFFAOYSA-N 420.394 5.771 0 1 HKAF FC(F)(F)Sc1ccc(/C=C/c2nc3cc(Br)cnc3[nH]2)cc1 587125882 UYFBMUGDJCFQHW-ZZXKWVIFSA-N 400.223 5.503 0 1 HKAF Fc1ccc(F)c(SCc2cccc(-c3nc4ccc5c(c4[nH]3)CCCC5)c2)c1 587140578 DCNWSRUMZUJRFE-UHFFFAOYSA-N 406.501 6.679 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)cc2F)c1 587143733 XWFDVULACZUWSK-UHFFFAOYSA-N 414.795 5.535 0 1 HKAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587163809 UAMPOKHSGIMSNF-UHFFFAOYSA-N 422.459 6.179 0 1 HKAF O=c1c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587171810 SOTONFNCUMCVSJ-UHFFFAOYSA-N 405.326 5.177 0 1 HKAF C[C@@H](c1nc2cccc(O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199324 AWHNXOLBUSCTKA-HNNXBMFYSA-N 413.477 5.210 0 1 HKAF COc1cccc(-c2cc(-c3cccc(NC(=N)N)c3)nc3c2oc2ccccc23)c1 587361910 BTOUYPIUTKQPRX-UHFFFAOYSA-N 408.461 5.629 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc3c(cc1C)C(C)(C)[C@@H](C)CC3(C)C)O2 587405061 JEKQLCDOKLTMDY-CBZJRKILSA-N 405.582 6.361 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1c(N)sc3c1CCCC3)O2 587414192 LHKSTNWINPJMTL-DEOSSOPVSA-N 404.535 5.009 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1OCc1cccc(F)c1)[C@@H](C2)C3=O 587426569 DQVKPPRRKJHEQK-CPJSRVTESA-N 404.437 5.076 0 1 HKAF CCCCCc1ccc([C@@]2(CCC(=O)O)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587492880 ZBHDJOORTMGUIP-AREMUKBSSA-N 424.537 5.803 0 1 HKAF Cc1ccc(-c2cccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1F 587503298 GEFRRVCDGXRBBB-HHHXNRCGSA-N 400.493 6.561 0 1 HKAF O=C1C[C@H](c2ccc(OCc3ccccc3)c(Cl)c2)Oc2c1ccc1c2CCCC1 587506663 NWDKMQPCAJZOKO-RUZDIDTESA-N 418.920 6.504 0 1 HKAF COc1cccc(OCCn2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587511697 IELHZYDRMRWIPV-VWLOTQADSA-N 417.505 5.161 0 1 HKAF CC(C)[C@]1(c2ccc(Cl)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552970 DGBZABVEMCLOQB-NFBKMPQASA-N 412.844 5.698 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(-c2cccs2)c1 587555965 ICEIOWDJEJZCAF-ZJSXRUAMSA-N 418.445 5.963 0 1 HKAF CCCCn1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21 587576676 KDLJVWXNSFHBJF-QPPBQGQZSA-N 414.461 5.245 0 1 HKAF C[C@@]1(c2cc(Br)cs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610782 DWEKEXVLCPQKPM-APWZRJJASA-N 417.280 5.093 0 1 HKAF CC(C)c1ccc2c(c1)[C@@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613785 YZFIZUAVUNZPHG-WIOPSUGQSA-N 402.446 5.155 0 1 HKAF CN(CCc1c(-c2cccnc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)N=O 587625334 FXWSPIQHRGAGKD-UHFFFAOYSA-N 416.325 5.423 0 1 HKAF O=C(O)[C@@H](c1cccc(Cl)c1)c1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 587629216 YSGQGHPVUGHHMK-KRWDZBQOSA-N 414.263 6.497 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(Oc3cccc4c(O)nccc34)c2c1 587643098 BCNISVFCJFUEEA-KRWDZBQOSA-N 408.501 7.395 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC(F)F)cc3)c(C(=O)C(=O)OC)c2c1 587643368 TXIFRIRKUKUPBR-GFCCVEGCSA-N 401.409 5.306 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(Cl)c(Cl)c2)N1 587694089 LDOIXGJTAHSTDX-MGNBDDOMSA-N 417.149 5.887 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2ccccc2Cl)N1 587697884 PLSCBWCCIJFLPD-YPMLDQLKSA-N 420.713 5.255 0 1 HKAF Cc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587709732 NUASDFTVEJSSQZ-AYVTZFPOSA-N 408.258 5.298 0 1 HKAF C[C@H](C(F)(F)F)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587710597 TVSYFCFFSUGWPS-FTLABTOESA-N 416.256 5.564 0 1 HKAF CC[C@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587711145 GHZUMBVSLJLULR-ADLMAVQZSA-N 416.256 5.795 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cccs2)N1 587731570 HGMAOIBCIALRIZ-FKIZINRSSA-N 420.322 5.615 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccncc2)(c2ccccc2)N1 587777706 JBAAVEXERQSOSA-QRQCRPRQSA-N 411.318 5.004 0 1 HKAF Cc1ccc(C)c2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc12 587784115 LQMXCBICEZWIMW-UHFFFAOYSA-N 418.540 7.017 0 1 HKAF CCCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587791421 IGKHXDUBMNYGQA-YEJXKQKISA-N 422.338 5.399 0 1 HKAF COc1ccccc1[C@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804055 AEEDPTXDLJFWLV-ZSEKCTLFSA-N 406.339 5.421 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(OCc3ccccc3)CC2)N1 587809700 JGHSQBAYNAFUMB-MFPRGYPFSA-N 418.350 5.477 0 1 HKAF CC(C)=CCC/C(C)=C/CC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587810974 FHIMRZQFRRNVQG-NEEZNGBMSA-N 408.399 6.811 0 1 HKAF Cc1ccc([C@@]2(c3ccco3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587825532 AMSZCPKOVBLEEN-IVZQSRNASA-N 414.318 5.624 0 1 HKAF CCOc1cccc2cc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)oc12 587830782 USHPAKCYQDNQAS-GTJPDFRWSA-N 418.306 5.531 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C3CCCCC3)s2)N1 587846144 GTEFFWQXWHUYDW-YUNKPMOVSA-N 408.380 6.321 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3cccs3)cs2)N1 587851741 IZMAGPQOWASJCI-YPMLDQLKSA-N 408.361 6.002 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1cccc(C(F)(F)F)c1 587860866 HIUSGOTXTMSBPB-UHFFFAOYSA-N 400.322 5.645 0 1 HKAF COc1ccc2nc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)sc2c1 587863806 JOCFBITWKNJFLU-UHFFFAOYSA-N 405.401 5.185 0 1 HKAF C[S@](=O)c1ccc([C@H](OC2CCCCC2)c2cc3cccnc3[nH]2)cc1Cl 653807542 MGLPUJRDRZAPKW-DCFHFQCYSA-N 402.947 5.392 0 1 HKAF C[C@]1(c2ccc(Br)cc2N)c2ccsc2CCN1Cc1ccco1 962706182 IWWRNWUBEKEMTC-IBGZPJMESA-N 403.345 5.008 0 1 HKAF COC(=O)c1ccc(-c2ccccc2[C@H]2NCCc3c2sc(C)c3C)cc1Cl 963027597 QDXDJDIDEQOAQK-OAQYLSRUSA-N 411.954 5.707 0 1 HKAF Oc1ccc2c(c1)[C@](c1cnc3ccccc3c1)(c1ccc(Cl)cc1Cl)NCC2 963344122 YWAOAIRANGGHKO-DEOSSOPVSA-N 421.327 5.685 0 1 HKAF O=C(O[C@@H]1CCCc2nc(Nc3ccc(C(F)(F)F)cc3)sc21)n1ccnc1 1857655553 ALSMXKVLWJOXMH-CQSZACIVSA-N 408.405 5.164 0 1 HKAF Cc1cc(C(C)(C)C)cc(C)c1-c1cc(COc2ccc(F)c(C(N)=O)c2F)no1 1857774519 CSWIPROXBXEKPK-UHFFFAOYSA-N 414.452 5.212 0 1 HKAF CC=C(CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356382498 CQSRUKJFZKVYCY-SJQQJJQDSA-N 414.718 8.025 0 1 HKAF CC=C(C)C(=O)N[C@@H]1C=C2CC[C@H]3C4=CC[C@@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 2356409901 WKBYYEDQGZSMCP-QEPCUODNSA-N 424.673 5.887 0 1 HKAF COc1ccc(C=C[C@@H]2CCC=C[C@H]2c2cc(OC)c(OC)cc2OC)cc1OC 2356579194 UAIKPBWIUUZQGF-RBUKOAKNSA-N 410.510 5.493 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 2356580743 XPRWWANUPMYKMF-DEDHFYCESA-N 410.686 7.865 0 1 HKAF COc1cc2c(cc1CC=C(C)C)[C@H]1COc3c(ccc(OC)c3CC=C(C)C)[C@@H]1O2 2356645103 FRRIDYJLRAVGPK-AMGIVPHBSA-N 420.549 6.331 0 1 HKAF c1ccc(-c2nc3ccccc3n2[C@H](c2ccccc2)c2nc3ccccc3[nH]2)cc1 95599464 LMKVYGXBDPTSFN-RUZDIDTESA-N 400.485 6.217 0 3 HKAF CCCC/C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1 3794742 BXOSIDBTKAUHJN-CHOYAOEFSA-N 406.570 5.748 0 1 HKAF CC(C)CCNC(=O)c1ccccc1-c1ccccc1CNC(=O)Nc1ccccc1 13493169 UYDDIZMTLXUIDP-UHFFFAOYSA-N 415.537 5.451 0 1 HKAF C[C@H](COC(=O)c1ccc(-c2cc(O)cc(-c3ccccc3)c2)cc1)CC(C)(C)C 13603851 ZTCYLXRVDQWBSW-IBGZPJMESA-N 402.534 6.955 0 1 HKAF COc1ccc(-c2ccccc2[C@H]2[C@H]3C=CCC[C@@]3(C)C(=O)N2Cc2ccccc2)cc1 13829785 HSBMVFCIUCQNEN-IUAQSZDVSA-N 423.556 6.418 0 1 HKAF CCOC(=O)c1ccc(NC(=S)Nc2ccc3c(c2)C(C)(C)CC(C)(C)O3)cc1 25973869 YQVLEPFDQNZGSZ-UHFFFAOYSA-N 412.555 5.511 0 1 HKAF O=P(O)(O)C(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 26836875 VGPQYODKFJUELV-UHFFFAOYSA-N 400.414 6.288 0 1 HKAF O=C1c2ccccc2[C@@](OCCc2ccccn2)(c2ccccc2)N1Cc1ccccc1 28135931 KWLRZJKLHWLXRL-NDEPHWFRSA-N 420.512 5.198 0 1 HKAF COc1ccc([C@H](c2ccc(OCCN3CCCCC3)cc2)c2cccnc2)cc1 28709320 HLEWXLJVILYJFC-AREMUKBSSA-N 402.538 5.135 0 1 HKAF NC[C@H]1CCC[C@@H](CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 28826337 MVOCLUVYCDHXAF-XZOQPEGZSA-N 417.597 5.285 0 1 HKAF COc1ccc(/C=C/c2n[nH]c(/C=C/c3ccc(OC)c(OC)c3)c2C)cc1OC 40873987 SJQFWAMQIIEJSZ-JMQWPVDRSA-N 406.482 5.093 0 1 HKAF c1ccc(COc2ccccc2COc2ccccc2-c2ccc3cccnc3n2)cc1 45210049 WLNXLEAKFLBMEY-UHFFFAOYSA-N 418.496 6.455 0 1 HKAF O=C(CCC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCc1ccccc1 45496172 WXHHCDPGIAJHIZ-UHFFFAOYSA-N 419.568 6.160 0 1 HKAF COc1cc(O)c(C(=O)CCc2ccccc2)c(O[C@@]2(C(C)C)C=C[C@@H](C)CC2)c1 59774095 GEIUOIVVQIIHRQ-BCHFMIIMSA-N 408.538 5.976 0 1 HKAF biogenic CN(C)c1ccc([C@H]2CC(C3=C(O)c4ccccc4C3=O)=Nc3ccccc3N2)cc1 68583054 FCSFNZXOFTWOQW-JOCHJYFZSA-N 409.489 5.548 0 1 HKAF biogenic COc1cc2nc(NCc3ccc(F)cc3)nc(NCc3ccccc3)c2cc1OC 82126149 RGQPUUCTHADSMV-UHFFFAOYSA-N 418.472 5.010 0 1 HKAF O=C(c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc(F)cc1)N1CCCCC1 82140413 DHJPNYHHAXENCF-UHFFFAOYSA-N 424.907 5.174 0 1 HKAF COc1ccc(-c2cnc(-c3cnc(NC4CCCC4)nc3-c3ccco3)s2)cc1 82165326 OMFGQUITIYCWEN-UHFFFAOYSA-N 418.522 5.890 0 1 HKAF COc1cc(NCCC[C@H](C)N)c2ncccc2c1Oc1cccc(C(F)(F)F)c1 84739039 ATYRTAKPGTWHNN-AWEZNQCLSA-N 419.447 5.594 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1OCc1ccc(Cl)nc1 103178861 KBVFXKULPICNLY-UHFFFAOYSA-N 406.791 5.585 0 1 HKAF COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccc(O)cc4)C3=C(O)C2)cc1 104693355 BMOGOUHFGLSSSS-WXTAPIANSA-N 412.489 6.030 0 1 HKAF NC1(c2ccc(-c3nc4c(Br)cccn4c3-c3ccccc3)cc2)CCC1 113656344 XGDHYAZSEQCNOK-UHFFFAOYSA-N 418.338 5.769 0 1 HKAF COc1c(O)ccc2c1Oc1c(cc(CC=C(C)C)c3c1C=CC(C)(C)O3)C(=O)O2 139442694 DECGFFQPKRPMKY-UHFFFAOYSA-N 408.450 5.419 0 1 HKAF [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(O)c(Cl)c3)o2)[C@@H](C)O)c(C)c1Cl 146561979 BUNWWLRTVBEPHT-BMLIUANNSA-N 419.268 5.142 0 1 HKAF CCOc1cccc(F)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cccc(OC(F)(F)F)c1 167725873 WCQJZAHESCTNJC-GUYCJALGSA-N 411.395 5.233 0 1 HKAF COc1ccc(C2CCN(C3=Nc4ccccc4N=C(c4ccccc4)C3)CC2)cc1 169324563 GTIULBPESBAJNT-UHFFFAOYSA-N 409.533 6.129 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@@H]4CC[C@@]3(C)[C@H]2C1 238732488 RBANQYSPMJFZBG-VHMPXCFSSA-N 412.702 7.779 0 1 HKAF O=[S@](c1ccc(Cl)c(Cl)c1)c1c(O)c(-c2cccnc2)cc2ccccc12 299838806 RETMFBLVLUQPQI-HHHXNRCGSA-N 414.313 6.081 0 1 HKAF FC(F)(F)Sc1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 586979503 NZSSEYFGZTZOJJ-UHFFFAOYSA-N 408.630 5.653 0 1 HKAF CCCn1cnc2cc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)cc(Br)c21 587003322 IQERIOLGRDUEQH-UHFFFAOYSA-N 411.347 6.050 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2c(F)cnc(Cl)c2[nH]1 587035017 SIRMYZXJXDTXBL-GFCCVEGCSA-N 402.882 5.236 0 1 HKAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c(C)ccc(C)c3[nH]2)c1 587050692 ZVABFJDTTKNZJT-ZHACJKMWSA-N 410.905 5.224 0 1 HKAF CCCOc1cc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2cc1Br 587057097 NMXVQBOYIZXWBN-AWEZNQCLSA-N 408.727 5.010 0 1 HKAF CCc1ccc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c1 587086817 MIHIQJJGJMYCQK-LUAWRHEFSA-N 411.336 6.156 0 1 HKAF COc1cccc([C@H]2CC(=O)Cc3nc4c(C)ccc5c4c(c32)-c2ccccc2C5=O)c1 587098949 WEOTUBGQTYUKPH-JOCHJYFZSA-N 419.480 5.410 0 1 HKAF CCCC[C@H](OC)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587105786 DYQDYTJBNWCJBY-SANMLTNESA-N 407.513 6.991 0 1 HKAF Cc1cc(C)c2[nH]c3c(c2c1)CCc1c-3nc2cccc3c2c1-c1ccccc1C3=O 587106866 NVGDOQWEXTYYAD-UHFFFAOYSA-N 400.481 6.310 0 1 HKAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587233561 SFOPXPXKRVJSLD-CABZTGNLSA-N 403.832 5.396 0 1 HKAF C[C@]1(c2c(F)ccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330217 GAPGMKZFXOIUEX-GCJKJVERSA-N 418.798 5.737 0 1 HKAF C[C@@]1(c2oc3ccccc3c2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335199 KTOLMCMVYOIUID-GBXCKJPGSA-N 403.409 5.134 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C2CCOCC2)[C@@H]1c1ccc(F)cc1 587361421 YNKXIULHHNQYKK-RSXGOPAZSA-N 418.464 5.212 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(Cl)[nH]c4cc(Br)ccc14)[C@@H](C2)C3=O 587420458 WYADEJAGJRAKCH-SGTLLEGYSA-N 418.674 5.081 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C)c2c(Br)cccc21 587457914 DIVYOZUUYPDFAX-LAJNKCICSA-N 401.300 5.475 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3cccc(Cl)c3)o1)CC2=O 587463228 UBCLBKOSDSWEDX-JOCHJYFZSA-N 412.869 5.877 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2[nH]c3ccc(F)cc3c21 587472433 QLQDHXQRDAGSNA-RUZDIDTESA-N 407.485 5.798 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccccc3Cl)s1)CC2=O 587494956 OELSUFBQBFOGQR-QHCPKHFHSA-N 412.938 6.607 0 1 HKAF O=C1C[C@@H](c2ccccc2-c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 587502859 GFDRTOFVVZQQIW-DEOSSOPVSA-N 423.339 7.246 0 1 HKAF O=C1C[C@@H](c2c(F)ccc(Cl)c2Br)Oc2c1ccc1c2CCCC1 587509008 VPOPVCGNEMWUGN-INIZCTEOSA-N 409.682 5.827 0 1 HKAF Cc1ccc(-c2nc3ccc(C)cn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587515251 MNUUSQGMEBIHJY-XMMPIXPASA-N 422.528 6.203 0 1 HKAF O=C1C[C@H](c2ccccc2SCc2ccccc2)Oc2c1ccc1c2CCCC1 587530228 BMMRLBFBSJJCFW-XMMPIXPASA-N 400.543 6.564 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(CCC(F)(F)F)c1 587550896 WDUZDFGGKINPEC-SIKLNZKXSA-N 414.379 5.590 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(OC2CCC2)c1 587555547 GWCIRRTZFFWJIL-QPPBQGQZSA-N 406.409 5.166 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CC1CCCCC1)c1ncccn1 587589548 XXBJTAICKATDGW-OFVILXPXSA-N 416.477 5.010 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCCC2)cc1 587598087 WCWZRFMMBIPIJV-DHLKQENFSA-N 401.462 5.085 0 1 HKAF CCCc1ccc([C@@]2(C(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587599532 GMSMYGBFRHFFHH-JYFHCDHNSA-N 402.490 5.858 0 1 HKAF CC(C)(C)OC(=O)N1CCC[C@H](c2[nH]c3c(C(=O)O)cccc3c2-c2ccccc2)C1 587638667 HZYICCXGPZKBFW-KRWDZBQOSA-N 420.509 5.648 0 1 HKAF Cc1cc(Br)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587680842 QQKMTBQAWHIKMM-BTDLBPIBSA-N 413.128 5.283 0 1 HKAF CC[C@@]1(c2cc(F)c(F)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587712766 AFVHTNCXOKXUHQ-YYSFKGJASA-N 402.229 5.193 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3)cc2F)N1 587726091 UGHAEZBWTPWTQH-MCMMXHMISA-N 414.293 6.018 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C2/N(C)c3ccccc3C2(C)C)N1 587770808 REJWKFXEWXWIJM-ZMYFZJSUSA-N 415.350 5.475 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3ccccn3)c2)N1 587772420 NUCJOZYKDRUYQW-ASSNKEHSSA-N 413.290 5.399 0 1 HKAF Cc1ccc(-c2nc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)co2)cc1 587775921 UZMJWZJKXNTONO-CWTRNNRKSA-N 401.279 5.175 0 1 HKAF CCCCCC[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813181 MWNZKTIEIDJVBW-KSFYIVLOSA-N 404.367 6.336 0 1 HKAF CC(C)[C@@]1(CSc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587842803 GNSJLEDFIDOSEV-JLTOFOAXSA-N 408.380 5.766 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccsc3)n2)N1 587852340 FQLSMZVYHBOJSN-WLRWDXFRSA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1cccc(C)c1 587864511 LFGURRNOICHKHU-OAHLLOKOSA-N 418.415 5.384 0 1 HKAF Cc1ccccc1-c1ccc(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 587958692 GEMPXIUVKLAKFB-UHFFFAOYSA-N 404.513 6.708 0 1 HKAF CC[C@@]1(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)CC(=O)c2ccccc2C1 587961018 PIXFEVMCTLZLQW-FQEVSTJZSA-N 406.835 6.003 0 1 HKAF O=C(CCN(Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1)NC1CCCCC1 653739257 LJQXCUHNDWHBNX-UHFFFAOYSA-N 423.359 5.978 0 1 HKAF CC[C@H](NC(=O)c1c(O)c(-c2ccc(OC)cc2)nc2ccccc12)c1ccccc1 653865308 AUTRFZGWSIKOKS-NRFANRHFSA-N 412.489 5.497 0 1 HKAF CCCCCc1cc2c(s1)CCC[C@@]21c2c(ccc(OC)c2OC)C[C@H](C)N1C 962623653 KRNPSZGAXJTDDX-GKVSMKOHSA-N 413.627 5.954 0 1 HKAF COc1cc(C(F)(F)F)cc(F)c1[C@@H]1NCCc2cccc(-c3ccccc3)c21 962671316 UNSCZWBBZHCBPY-JOCHJYFZSA-N 401.403 5.755 0 1 HKAF Cc1ccc(CC[C@]2(c3ccccc3F)c3c(F)cccc3C[C@@H]3CCCN32)cc1C 963098757 HDHSLCJHOYRMGY-FIPFOOKPSA-N 417.543 6.479 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCc1ccc(F)cc1)c1ccc(C)c(C)c1 963231370 QRQIYUXHODYWGH-BTYSJIOQSA-N 415.596 6.976 0 1 HKAF CCCN1[C@H]([C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)c2ccccc2C[C@H]1C 963256480 CLWPPEGLISXYIH-QIJUGHKUSA-N 402.623 6.104 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCc1cccc(C)c1)c1cc(C)ccc1C 963256848 GBZGBHKXCMCTEM-QCDSWUKFSA-N 411.633 7.145 0 1 HKAF Cc1cc2cccc([C@@H]3NCCc4c3[nH]c3ccc(OCc5ccccc5)cc43)c2[nH]1 963833321 VHCRPIHHLZXYDV-SANMLTNESA-N 407.517 5.772 0 1 HKAF O=c1c2ccccc2oc2c(Cc3ccc(O)cc3)[nH]c(-c3cc(Cl)ccn3)c12 1772612790 GABGPSOOCLUCEA-UHFFFAOYSA-N 402.837 5.286 0 1 HKAF Clc1ccc(-n2cc(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)nn2)cc1 1857651325 CTIIHTRKCBSTTH-UHFFFAOYSA-N 423.907 6.064 0 1 HKAF CC(C)=C(C)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356409492 KPIRFXVTLHBVFL-CIKQXQIZSA-N 412.702 7.945 0 1 HKAF CC1(C)C=CC[C@]2(C)Oc3ccccc3C[C@@H]2CC[C@@]2(C)Oc3ccccc3C[C@@H]2C1 2356422185 ISSPUSZYYOWQJE-ADTBZPLRSA-N 416.605 7.163 0 1 HKAF CC1(C)CC[C@]2(C)CC=C3[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@]34C)[C@@H]2C1 2356436121 BBABFZDRVGJXDN-MAQDOEMCSA-N 412.702 7.779 0 1 HKAF C[C@@H]1[C@H]2[C@H](c3cc(-c4cc(=O)c5c(O)cc(O)cc5o4)c(O)cc3OC2(C)C)C1(C)C 2356478870 WOEBDCLYNHDBHY-IKVVWSHTSA-N 422.477 5.124 0 1 HKAF CC(=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@@H]3CC[C@]12C)[C@H](C)C(C)C 2356656722 XHBUOPUSZGNMDC-PHYGGMEFSA-N 400.691 7.491 0 1 HKAF COC(=O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCCCc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@H]1[C@@H]2[C@@H]43 2356684725 WUXZTXRLZQAUHL-APXYNEQQSA-N 420.549 5.178 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)C=CC(C)C)C1 2356744151 HJWVRQICRBWPME-MEMNXJRESA-N 412.658 7.345 0 1 HKAF c1ccc(COc2cccc(-c3cc4nc(NCc5cccs5)ccn4n3)c2)cc1 61904266 IAMUCONEXFXJDN-UHFFFAOYSA-N 412.518 5.649 0 3 HKAF CO[P@](=O)(C(=O)Nc1ccccc1)[C@@H](CC(C)C)NC(=O)OCc1ccccc1 200551013 XAXSUNCAIYFETB-SLQAJWMNSA-N 418.430 5.442 0 3 HKAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(C)cc2)C2=C(O)CC(C)(C)CC2=N1 848023 KNZHASCMZKMZCR-AVRDEDQJSA-N 409.526 5.162 0 1 HKAF C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C)N(C)C 6005408 ZUILVKYUNYJWMV-JTRBZCFYSA-N 412.706 6.392 0 1 HKAF COc1cc2c(c(O)c1-c1c(C)cc(OC)c3c(OC)cccc13)C(C)=N[C@H](C)C2 13359183 BHXTVSSYPDITPL-CQSZACIVSA-N 405.494 5.300 0 1 HKAF biogenic O=c1oc(-c2c[nH]c3ccccc23)c(-c2c[nH]c3ccccc23)n1Cc1ccccc1 26501100 OZKMWUPRUDCIPI-UHFFFAOYSA-N 405.457 5.786 0 1 HKAF COc1cc2nc(C)nc(-c3cc(OCC4CC4)cc(OCC4CC4)c3)c2cc1OC 26730507 NEBKNEPHIHFRHN-UHFFFAOYSA-N 420.509 5.200 0 1 HKAF C(=C\c1ccc(-c2cn3cc(/C=C\C4=NCCS4)ccc3n2)cc1)\C1=NCCS1 27435865 PIPMWBLCKNUNAI-AVWDGMTFSA-N 416.575 5.318 0 1 HKAF CC1(C)[C@H]2C[C@@H]1[C@H](/C=C/[C@@H](O)COc1ccc(F)cc1)[C@H]2C/C=C\CCCC(=O)O 27554332 FBOACMAKXADYFB-WMMNFICNSA-N 416.533 5.231 0 1 HKAF CCC(CC)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)NC3CCCC3)CN(C)[C@@H]1C2 27704428 VFBSXHLKWBOVMO-IHLLOCCUSA-N 407.602 5.021 0 1 HKAF O=C(O)Cc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C(F)(F)F)cc2)cc1 28710932 AEKMTXDDIXKGNW-UHFFFAOYSA-N 414.305 5.204 0 1 HKAF Cc1c(C(C)(C)C)s/c(=N\C(=O)c2cccc(OC(F)(F)F)c2)n1CC1CC1 28954331 FLYCNFMYRXXCOY-MOHJPFBDSA-N 412.477 5.205 0 1 HKAF CCOC(=O)c1ccc(NCCCCCCCCCCCCc2cccs2)cc1 29204212 MHRGEDZBZSGJPW-UHFFFAOYSA-N 415.643 7.480 0 1 HKAF CC1=C(CC/C(C)=C/CC/C(=C/C[C@@H](O)C2=CC(=O)OC2)CO)C(C)(C)CCC1 34124535 APZLDGIERUEODP-JTASSXHHSA-N 402.575 5.173 0 1 HKAF CC(C)N(C(=O)[C@@H]1CC[C@H]2[C@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 34801270 AEWWFKWBCCJQAS-OQEFBVQPSA-N 414.634 5.237 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C)CC(=O)[C@](C)(CCC(=O)O)[C@@H]3CC[C@@]21C 36330303 GOSURFASCRNOMA-PMLBDJKESA-N 418.662 6.988 0 1 HKAF CCCC[C@@H](Sc1ccc(OCCCOc2cccc(C(C)C)c2)cc1)C(=O)O 43011797 CUSRKEXXWGILRX-HSZRJFAPSA-N 416.583 6.393 0 1 HKAF CCCc1nc2c(C)cccc2n1CCOc1ccc(CC(C)(C)C(=O)OCC)cc1 45252947 RHOXCIRSLNCATM-UHFFFAOYSA-N 422.569 5.508 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/[C@@H](c1nccn1C)[C@@H](CC(=O)O)C(=O)O 45338717 JRUPZAMPCOXFPV-WPDLGASZSA-N 402.535 5.098 0 1 HKAF N#CN1[C@H](c2ccc(Cl)cc2)CC(=O)[C@@H](c2ccccc2)[C@H]1c1ccc(Cl)cc1 72172302 GTFNZNFOQZIXSK-QPTUXGOLSA-N 421.327 6.315 0 1 HKAF Cc1cnc(-c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccccc2)o1 82162463 YHPYIIJAGPUHTH-UHFFFAOYSA-N 410.399 5.738 0 1 HKAF CCOP(=O)(OCC)[C@H](Cc1ccc(F)c(F)c1)c1cc2ccccc2s1 84586844 OHAAVQXWGVFRQO-GOSISDBHSA-N 410.422 6.729 0 1 HKAF CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(c2)CCCCC3=O)CC1 84713032 LDZPPKAVVXOLGD-UHFFFAOYSA-N 400.563 5.435 0 1 HKAF Cc1cc(F)ccc1-c1cccc([C@@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 96269866 IBAZWTZRABBVLO-OSPHWJPCSA-N 420.436 5.264 0 1 HKAF O[C@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12 101185330 YQJSOEKFOQHZGK-YPGOJHLTSA-N 402.321 5.754 0 1 HKAF CC1(C)CC2=Nc3nc(O)nc(O)c3[C@@H](c3ccc(Cl)cc3Cl)C2=C(O)C1 103909248 QIZJWPQUIAJWJD-ZDUSSCGKSA-N 406.269 5.045 0 1 HKAF Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3cc(N)nc(-c4ccc[nH]4)c3)cc2)c1 116238225 ZBUMGFFYJJLQLI-UHFFFAOYSA-N 417.444 5.543 0 1 HKAF COc1cc2cncc(Cc3ccc4oc(-c5ccc(N)cc5)nc4c3)c2cc1OC 148608843 REYSCEZLLODGOA-UHFFFAOYSA-N 411.461 5.233 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C\C(C)=C/C(=O)N[C@H](CC(C)C)C(=O)O)C(C)(C)CCC1 169314724 XILISIALPJYAMY-SNEFDHLISA-N 413.602 6.134 0 1 HKAF O[C@H](CC[C@@H]1CCCCN1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 169334007 HQYLIBYURVWNMB-XHDPSFHLSA-N 406.370 5.228 0 1 HKAF CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(C)cc2)nc2c(C)cc(C)cc12 169334651 LVDGFCDATNTPFI-HHHXNRCGSA-N 418.625 6.763 0 1 HKAF c1ccc(CN2[C@@H](c3ccccc3)C3=C(NO[C@@H]3c3ccccc3)[C@H]3CCCC[C@@H]32)cc1 195440111 AXWBMVPUDJKFSZ-YFVZOPNBSA-N 422.572 6.333 0 1 HKAF CN(C)C(=O)Cc1ccc(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1 220084342 KVPYCNKXJKRJAI-UHFFFAOYSA-N 405.929 5.265 0 1 HKAF C/C=C(\C)c1c(Cl)c(O)c(C)c2c1Oc1c(Cl)c(OC)cc(C)c1C(=O)O2 238767437 VZXCTTHFDYGIQF-SOFGYWHQSA-N 409.265 6.073 0 1 HKAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=S)CC[C@]4(C)[C@H]3CC[C@@]12C 253635910 UYQBCVKVDBCQNJ-AETXQPLOSA-N 404.664 5.135 0 1 HKAF Cc1cc(Br)ccc1OCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586981148 LFRMQQTYAAWBPW-UHFFFAOYSA-N 423.314 5.044 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(C(F)(F)F)ccc4O)nc13)-c1ccccc1C2=O 586992997 JLGQAEOROWIXOJ-UHFFFAOYSA-N 405.375 6.146 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2c1 587016113 GRFJGPHBCPKMFK-LLVKDONJSA-N 418.238 5.319 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cccc(C(F)(F)F)c2[nH]1 587035059 TVSXVQHFCXVIGS-HNNXBMFYSA-N 417.456 6.068 0 1 HKAF COc1cc(OC)c2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc2c1 587068323 QJYVPOLVOZXEOC-UHFFFAOYSA-N 420.856 5.346 0 1 HKAF Oc1ccccc1-c1cc(-c2nc3cncc(Cl)c3[nH]2)c2cccc(Cl)c2n1 587081845 WGAAPOXIPMZSFE-UHFFFAOYSA-N 407.260 5.853 0 1 HKAF COc1c(F)cc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1F 587134851 OZQIJQDUMDAIAU-UHFFFAOYSA-N 418.035 5.042 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cccc(C(F)(F)F)c2[nH]1 587191137 LBTYLSPXTFVPFD-QGZVFWFLSA-N 405.420 5.538 0 1 HKAF CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)CC7 587214899 FNJDHHFHVHVCOY-GHDHKSQKSA-N 423.600 6.497 0 1 HKAF CCCC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326809 DCUZIIRZBHCZQV-ILBGXUMGSA-N 424.899 6.629 0 1 HKAF Cc1ccc(Cl)c2c1[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332063 QQGYXTGWBWAZSA-XUZZJYLKSA-N 424.855 5.530 0 1 HKAF Cc1cccnc1[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587335583 HQOCSRDIYHSTRH-LZECLLPCSA-N 417.480 5.690 0 1 HKAF CC(C)[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587356037 YRRQNVJINUCNBF-CVJWPJSTSA-N 402.465 5.929 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)O2 587384769 OXKKUWFTJXSOQV-HSZRJFAPSA-N 413.452 5.276 0 1 HKAF O=C1C[C@@H](c2ccc(COc3ccc(Cl)cc3)o2)Oc2c1ccc1c2CCCC1 587498697 FZTNEPPXJUWRQL-QHCPKHFHSA-N 408.881 6.097 0 1 HKAF CCOc1ccc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(Cl)nc2c1 587501352 RXSKSLXEYWSXNI-QFIPXVFZSA-N 407.897 5.872 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CC1CCCCC1)c1ncccn1 587589547 XXBJTAICKATDGW-BWKNWUBXSA-N 416.477 5.010 0 1 HKAF CC[C@@H]1c2cc(OC)ccc2CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587600326 NWWALJCSQPKNTD-UVWWXKGLSA-N 416.473 5.241 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2cccs2)n1 587616229 ZGTBBWWVCGMTND-REWPJTCUSA-N 401.443 5.219 0 1 HKAF O=C(COc1ccc2ccccc2c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659918 KHUOUISDVGAZHL-UHFFFAOYSA-N 424.431 5.075 0 1 HKAF COc1c(Cl)cc(Cl)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587691131 CFVAEFHBSLKNCQ-VPTHRUTESA-N 419.121 5.527 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2ccccc2Cl)N1 587696730 MNLSQFNZUPKNCM-NSPYISDASA-N 410.714 5.264 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)cc2C(F)(F)F)N1 587714629 WFQQYLMULXRXNB-BCTVWOGZSA-N 422.647 5.884 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OC(F)(F)F)N1 587722218 RPNFINLZQJMINU-JDNHERCYSA-N 404.201 5.110 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)sc1Br 587841343 ASEOLTWUYKXTJW-CLAHSXSESA-N 419.157 5.344 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C)c2cc(Cl)ccc2n1 587861028 KHRAVFHISZLSME-UHFFFAOYSA-N 417.818 6.077 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c2)cc1 587936032 PTGKWQGFTKGWNS-UHFFFAOYSA-N 413.702 6.321 0 1 HKAF CC[C@@]1(Cc2nc3ccc(Br)c(F)c3[nH]2)CC(=O)c2ccccc2C1 587959113 CSMMKMRVZZLRGO-FQEVSTJZSA-N 401.279 5.233 0 1 HKAF CC(C)=CCC/C(C)=C\c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587968580 SCAPJELTBWIVRM-XFFZJAGNSA-N 403.242 6.374 0 1 HKAF COc1ccc(C(C)(C)[C@@H](O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC 653767411 LJOFWEKCNGUBDT-QFIPXVFZSA-N 416.489 5.047 0 1 HKAF COc1ccccc1[C@]1(C2CCCCC2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962636708 SVOWABXOBNTNMQ-HFJWLAOPSA-N 409.570 5.413 0 1 HKAF COc1ccc([C@@]2(c3c(C)cccc3C)NCCc3cc(-c4ccccc4)ccc32)cc1 962667860 WKPIVRLZWPTUAK-SSEXGKCCSA-N 419.568 6.417 0 1 HKAF Cc1cccc(CC[C@@]2(C)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c1 963184305 RAJXRLANELDKDQ-AZUAARDMSA-N 411.851 5.114 0 1 HKAF CC=C(C)c1c(Cl)c(O)c(C)c2c1Oc1c(Cl)c(OC)cc(C)c1C(=O)O2 2356410982 VZXCTTHFDYGIQF-UHFFFAOYSA-N 409.265 6.073 0 1 HKAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@@H]1[C@](C)(COC(=O)C(C)C)CCC[C@]12C 2356459732 XDWAWFACGNSUSS-UDEBCVQESA-N 420.590 5.219 0 1 HKAF CCC1=C[C@](C=Cc2ccccc2)(CC)[C@](CC)(C(=O)O)[C@@H]2[C@H](CC)C(=O)[C@H](C)[C@H]12 2356774638 ALLQJQBDLUMIQH-DNRBAPGHSA-N 408.582 6.405 0 1 HKAF CC(C)[C@@H](C)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356798025 OTRRATLULZITAR-UYIJQFQSSA-N 414.674 6.382 0 1 HKAF C[C@]1(Cc2cc(Cl)ccc2C(F)(F)F)C(=O)Nc2cc(C(F)(F)F)ccc21 61905082 HKOABKLRTCZBNK-MRXNPFEDSA-N 407.741 5.830 0 3 HKAF COc1ccccc1Cc1c(-c2ccc(C)cc2)nc2ccc(Br)cn12 72138436 LYVRCYNWZNOCIC-UHFFFAOYSA-N 407.311 5.672 0 3 HKAF CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NCc1ccccc1 775304 GAMIVWGFVNYMIK-UHFFFAOYSA-N 416.452 5.476 0 1 HKAF CC(C)(C)c1noc(-c2ccsc2)c1C(=O)NCc1cccc(C(F)(F)F)c1 776303 ACBRYHGTQOZHEZ-UHFFFAOYSA-N 408.445 5.649 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(Cl)c1)Oc1ccc(F)cc1-3 3828608 OHLMRBMVXRKABN-DEOSSOPVSA-N 405.900 7.235 0 1 HKAF CC[C@H](Cc1ccc(OC)c(C(=O)CCc2ccc(C(F)(F)F)cc2)c1)C(=O)O 12358316 SXPBKUBQICKJQP-MRXNPFEDSA-N 408.416 5.183 0 1 HKAF Cc1cccc(NC(=O)Nc2ccc(-c3c(C(C)C)sc4ncnc(N)c34)cc2)c1 13673662 VNWDQYGXWXVPJM-UHFFFAOYSA-N 417.538 6.016 0 1 HKAF CN(C)c1ccc(C[C@H]2C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)[C@H]2O)cc1 13681735 YPJFPEMUDSSIKZ-ITLKMZFASA-N 405.582 5.144 0 1 HKAF Clc1ccccc1-c1ccc(NCCC2CCN(Cc3ccccc3)CC2)nn1 13863636 FAVXSSWERVBPEA-UHFFFAOYSA-N 406.961 5.511 0 1 HKAF O=C(Nc1ccccc1-c1nnn[nH]1)c1ccc(Oc2ccc3ccccc3c2)cc1 27328059 RNHKIYDBGCIBFW-UHFFFAOYSA-N 407.433 5.065 0 1 HKAF CC(C)(Cc1ccc(F)cc1)NC[C@@H](O)CSc1cccc(Cl)c1Cl 28564493 SBOZTFNSOWYHKQ-OAHLLOKOSA-N 402.362 5.196 0 1 HKAF COc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(C(=O)c2ccccc2)c1 40940217 VBDDUIFCZLBLIX-UHFFFAOYSA-N 415.445 5.284 0 1 HKAF Fc1ccc2nc(-c3ccc(-c4ccc(CNCc5ccccc5)cc4)cc3)[nH]c2c1 45324331 UUQGMZVOAQEDPL-UHFFFAOYSA-N 407.492 6.326 0 1 HKAF C[C@H](/C=C/c1cccc[n+]1C)[C@H]1CC[C@@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 45353143 SXXFURSAPZIHGU-ZNPIZVNESA-N 420.661 6.100 0 1 HKAF O=C1/C(=C/c2ccc(Cl)cc2)c2ccccc2N1c1c(Cl)cccc1Cl 45484279 GSXPGKGYWGEYKO-FOWTUZBSSA-N 400.692 6.866 0 1 HKAF Cc1cc(N2CCCc3cc(C(N)=O)ccc32)ccc1CNCCC1=CCCCC1 66251466 MQJIODLKUZQOLV-UHFFFAOYSA-N 403.570 5.158 0 1 HKAF CC(C)CCC[C@@H](C)[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 73141136 JXWKLNIPHOFKQD-CMOCTXKRSA-N 402.663 6.504 0 1 HKAF CCCC[C@H](Nc1nc(-c2ccccc2F)cs1)C(=O)NCc1ccc(C)cc1 82195590 AWHDRBMKNXHEDQ-FQEVSTJZSA-N 411.546 5.545 0 1 HKAF CCCCCO/C(O)=C1/C(C)=NC2=C([C@@H]1c1ccc(Cl)cc1)C(C)(C)CC(=O)C2 82230739 GGYUTANQJFYPQO-HBFAPYFHSA-N 415.961 6.518 0 1 HKAF COc1ccc2cc([C@@H](O)CCN3CC=C(Cc4ccccc4)CC3)ccc2c1Cl 84756894 JYIMWQCCVNSNJW-DEOSSOPVSA-N 421.968 5.800 0 1 HKAF Cc1ccc([C@@H]2CC(c3ccc(Cl)c(Cl)c3)=NN2C2=NC(=O)CS2)cc1 95573701 TZFWDZAJJMUALL-KRWDZBQOSA-N 404.322 5.082 0 1 HKAF Cc1c(-c2nnc(-c3ccc(Cl)cc3)o2)c(-c2ccccc2)nn1-c1ccccc1 103229695 HHJOHXOYBPTTBV-UHFFFAOYSA-N 412.880 6.218 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@@H](O)[C@@H]4C[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 118937080 YYVUMXYSCXRWIL-GRWCMFQNSA-N 416.690 6.584 0 1 HKAF endogenous,in-man CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1C#N)c1ccccc1 148963646 GFVIXAZUFXBRJG-DMZGEQTCSA-N 419.484 5.901 0 1 HKAF O=C(O)[C@@H]1C=C[C@@H]2C[C@H]3[C@H](CCCCCCCc4ccc(O)cc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c1ccc(S(=O)(=O)Nc2ccccc2-c2cccc(C(F)(F)F)c2)cc1 473093434 TZDCJWUMULCASO-UHFFFAOYSA-N 407.413 5.182 0 1 HKAF Fc1cc(C(F)(F)F)c2[nH]c(COc3ccc(Cl)cc3Br)nc2c1 586975983 AUFQYDZQXHJXPA-UHFFFAOYSA-N 423.591 5.716 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(Br)cnc3F)nc3ccc(O)c1c23 586988572 MMDBMJMYNDKDEQ-UHFFFAOYSA-N 421.225 5.115 0 1 HKAF C/C=C\COc1ccc(Cc2c(C)nc3ccc(O)c4c3c2-c2ccccc2C4=O)cc1 586992157 PFRNWVKXLYYXJE-ARJAWSKDSA-N 421.496 6.006 0 1 HKAF Clc1cc(Cl)c2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c1 586998991 RIUHKFHLPBANKF-OWOJBTEDSA-N 412.070 5.531 0 1 HKAF Fc1cc2[nH]c(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)nc2cc1Cl 587021438 NKISWQPBOYNRQQ-UHFFFAOYSA-N 421.888 6.285 0 1 HKAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c2C1 587031130 BBTHLEPZPTUHDE-UHFFFAOYSA-N 423.460 5.603 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c2)c1 587050426 PZMFRRZSOPEPDU-UHFFFAOYSA-N 403.215 6.294 0 1 HKAF Clc1cc(Cl)cc(-c2cncc(-c3nc4ccc(Br)nc4[nH]3)c2)c1 587067850 RPAYUHSBKCXNFF-UHFFFAOYSA-N 420.097 5.756 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Cl)c(F)cc2[nH]1 587069070 BSEMJFIKPUVNRR-YGGSDNEFSA-N 409.719 7.028 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(C)cc(C)c4[nH]3)c(Cl)cc12 587078405 PPQXJSHVXNVEQF-CQSZACIVSA-N 410.901 6.032 0 1 HKAF CCCCOc1cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2cc1Br 587087607 MBKLOCUSLWFYSD-UHFFFAOYSA-N 418.722 6.306 0 1 HKAF CCOC(=O)c1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1 587121775 GOURJYPGBCVGTJ-UHFFFAOYSA-N 410.417 5.072 0 1 HKAF FC(F)Oc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1 587130493 LRYSZCKEDBVYGD-UHFFFAOYSA-N 418.035 5.356 0 1 HKAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(Cl)cc4[nH]3)cc2)cc1F 587147922 UXCFIBLFGCOBLR-UHFFFAOYSA-N 407.876 5.363 0 1 HKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1F 587152550 PSSAIEZHMOUDLE-GJZGRUSLSA-N 403.457 6.389 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4[nH]c(-c5ccc(CN=O)cc5)nc4c3)o2)cc1 587190838 SNHOLQDLTNROKA-UHFFFAOYSA-N 411.421 5.222 0 1 HKAF Nc1c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)ccc2ccccc12 587254361 NMMRFGHIZKFQDD-UHFFFAOYSA-N 406.205 5.747 0 1 HKAF CC1(c2ccc(F)cc2)CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587333685 LDXYKYFIEDQCQS-PBGLPUTKSA-N 406.428 5.520 0 1 HKAF CCc1ccc(OC)c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1 587363788 VLENBGRNQOVSMG-UHFFFAOYSA-N 409.485 6.895 0 1 HKAF COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCc1ccc(C)cc1 587398576 FNWFODOTZFFPRK-QHCPKHFHSA-N 403.478 5.180 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCc1ccc(Br)s1)(C(C)C)O2 587411330 SPRQFYLHDLAFQD-IBGZPJMESA-N 408.361 5.394 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(Cl)cccc1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587419950 FYXNMBYBDSJZOE-RBZFPXEDSA-N 415.873 5.184 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(O[C@H](C)CC)c(OC)c1)CC2=O 587460010 KKOPQQFNHFMIDZ-XCLFUZPHSA-N 418.917 5.891 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccc(C(F)(F)F)cc1)CC2=O 587464091 IFTSMARFXXHDJX-CHHLAKQQSA-N 419.443 5.300 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1SCc1ccccc1)CC2=O 587493648 UGZLUJBIIUNWQI-HSZRJFAPSA-N 404.531 6.344 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)s1)(C(C)C)CC2=O 587495124 PBNVPXOHMNLORY-LJQANCHMSA-N 409.345 5.685 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1ccccc1 587521011 CGUHVUCYZADQJJ-VWLOTQADSA-N 414.501 5.860 0 1 HKAF CCCCc1ccc([C@]2(CCCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587529068 IJTMVFQDQXTMGZ-MHZLTWQESA-N 420.549 6.024 0 1 HKAF Cn1c(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587552184 OCQYBWVHHCCYAO-UGKGYDQZSA-N 405.837 5.240 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCCCC2)cc1 587595623 POBUIRGBOVQIOW-BVAGGSTKSA-N 415.489 5.476 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2cccs2)cs1 587610475 GDUOAHYICJGDFR-SIKLNZKXSA-N 406.484 5.885 0 1 HKAF Cc1ccccc1NC(=O)c1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626623 VJGDUXHPTKZZKZ-UHFFFAOYSA-N 400.322 6.075 0 1 HKAF Cc1cccc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)c2cc(Cl)ccc2O)c1 587628021 GLLGDDKQGUBPLG-UHFFFAOYSA-N 414.263 6.526 0 1 HKAF O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3cc(Cl)ccc3Cl)[nH]c12 587638104 JDNVOIHISSQMKK-UHFFFAOYSA-N 402.155 5.585 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc4c(c3)OCCO4)c(C(=O)C(F)(F)F)c2c1 587642958 XTEWXHYPPIIOIO-GFCCVEGCSA-N 403.400 5.865 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc2ccc(Cl)cc2o1 587655558 MWFZCTOBPUATHD-UHFFFAOYSA-N 409.779 5.126 0 1 HKAF O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657604 YNDCRMAYQJKSIO-NHCUHLMSSA-N 418.855 5.300 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3ccc(Cl)cc23)N1 587699450 QFGKFTPHSFGXGH-OVWNDWIMSA-N 407.714 5.521 0 1 HKAF Cc1cccc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587755339 OUTPAFXZWYLBTA-PEBXRYMYSA-N 413.334 5.619 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(-c3ccccc3)no2)N1 587793860 LWXPCKVNDUGVDF-MPBGBICISA-N 401.279 5.041 0 1 HKAF COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)(C)C 587805232 DTURYHXVZAXGJC-XMHCIUCPSA-N 420.366 5.692 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(c2ccccc2)c2ccccc2)N1 587812798 KQXIWIMNWYXERB-UPCLLVRISA-N 424.357 6.170 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2cccs2)N1 587844882 CNPIHCCXTLYPJV-LHSJRXKWSA-N 416.359 5.670 0 1 HKAF COc1ccc(C[C@@H](C)c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1OC 587927131 RSRYBOPYGZDLNY-LLVKDONJSA-N 403.320 5.306 0 1 HKAF CCCOc1cc2nc([C@@H]3C[C@]3(C)c3ccccc3OC)[nH]c2cc1Br 587931838 UCDWHTKULLOQIZ-LHSJRXKWSA-N 415.331 5.568 0 1 HKAF c1ccc(C[C@H](c2ccccc2)c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 587955776 NZYASXZXUGNLLO-XMMPIXPASA-N 406.554 7.089 0 1 HKAF CCNS(=O)(=O)c1ccc(NC2CCCCCCC2)c(NCc2ccccc2)c1 653717808 AWBAMXNGAVBSBB-UHFFFAOYSA-N 415.603 5.122 0 1 HKAF C[C@@H](Oc1nc(C(Cl)(Cl)Cl)nc2ccccc12)c1ccc(Cl)cc1 653897404 CNSWTXHNXWJQGL-SNVBAGLBSA-N 402.108 6.250 0 1 HKAF COc1ccc2c(c1)[C@](c1ccccc1CN1CCCC1)(C1CCCC1)N[C@H]1CC[C@H]21 962999657 ZBOONDASFIAYMY-FQLPYIGMSA-N 416.609 5.574 0 1 HKAF CC1(C)C[C@]2(c3ccc(F)cc3C[C@H]3CCCN32)c2cc(Br)ccc21 963099590 JRBVOYFGGPXRHJ-VGSWGCGISA-N 400.335 5.534 0 1 HKAF Cc1ccc(Sc2ccc([C@]3(C)c4c(F)cccc4C[C@H]4CCCN43)cc2)cc1 963106100 QPXDGBVXXCNIPM-QFQXNSOFSA-N 403.566 6.569 0 1 HKAF Oc1cc([C@@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc2occc12 963833301 UNLIMYKVSBRRHY-VWLOTQADSA-N 410.473 5.434 0 1 HKAF CC[C@@H]1C[C@H](OC(=O)c2cccc(O)c2)[C@@H]2CC[C@H]([C@H](C)CCCC(C)C)[C@@]2(C)C1 1772574921 FCPVDKMCFBQSAB-OKBOUIMISA-N 414.630 7.233 0 1 HKAF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)[C@@H](CC)c2ccccc2)C(=O)OC)cc1 1772608455 WYYVXRVPPPPZTI-YFXJRYMSSA-N 411.542 5.026 0 1 HKAF COc1ccc([C@H](CC(=O)c2ccc3ccccc3c2)c2c[nH]c3ccccc23)cc1 1857544818 DKCDGRFZWGKZBR-VWLOTQADSA-N 405.497 6.735 0 1 HKAF CC(C)c1ccc(NC[C@@H](O)CNc2ccc(-c3nc4ccccc4o3)cc2)cc1 1857594240 MEMDECAXUSXCIN-JOCHJYFZSA-N 401.510 5.503 0 1 HKAF CC(C)[C@H]1COC(=O)N1c1cncc(N[C@@H](C)c2ccc(-c3ccc(F)cc3)cc2)n1 1857647990 NKIQDTKSDDGASM-HRAATJIYSA-N 420.488 5.437 0 1 HKAF O[C@H]1CN2CCCC=CCC=CCCC3=C[C@H]4CN5CCCCC=CCC[C@@](C2)([C@@H]14)[C@@H]35 2356566550 LJHXXWLMNPGGPA-UZSVIBPSSA-N 422.657 5.103 0 1 HKAF C[C@@H](CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O 2356625005 WVXOMPRLWLXFAP-YRXKYOHKSA-N 416.646 6.453 0 1 HKAF Cc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 3815349 ZLNBJDSAGVBJSP-UHFFFAOYSA-N 411.292 5.354 0 1 HKAF CC(C)=CCC[C@]1(C)C=Cc2c(CCC(=O)c3ccc(O)cc3O)ccc(O)c2O1 13340816 NZEMOONSVTXJCP-RUZDIDTESA-N 408.494 5.530 0 1 HKAF endogenous,in-man O=C1C[C@@](CCc2ccccc2)(c2ccccc2)OC(=O)[C@H]1SCc1ccccc1 18067723 PXJUAFZQGCGBFK-AHWVRZQESA-N 416.542 5.333 0 1 HKAF CCCCOP(=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)OCCCC 27894336 IECOWUTYWFVWOZ-UHFFFAOYSA-N 417.511 7.290 0 1 HKAF CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2Nc1ccccc1CO 40420500 GNIBGPISNCZPAE-QFIPXVFZSA-N 416.565 5.864 0 1 HKAF O[C@H](CNc1ccnc(Nc2ccc(Cl)cc2)n1)c1ccccc1C(F)(F)F 45189348 NPTTUWXXLAOEHJ-MRXNPFEDSA-N 408.811 5.038 0 1 HKAF O=C(CCCCN1CCCCC1)Nc1ccc(-c2cccc(Br)c2)cc1 45253253 AVEAPIPFACEFPD-UHFFFAOYSA-N 415.375 5.711 0 1 HKAF C=C(c1c(-c2ccccc2)[nH]c2ccccc12)c1c(-c2ccccc2)[nH]c2ccccc12 71335381 GLELTLRQUQTLFZ-UHFFFAOYSA-N 410.520 8.045 0 1 HKAF Cc1ccc(NC(=O)[C@H](C)Oc2nc3ccccc3n2Cc2ccccc2)c(Cl)c1 84635671 NMUPBZLJBLJRKX-KRWDZBQOSA-N 419.912 5.452 0 1 HKAF Cc1ccccc1C(=O)NC1CCN(CCSc2cccc(Cl)c2Cl)CC1 95578395 KAIXRNFYCJZENC-UHFFFAOYSA-N 423.409 5.288 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCCC(C)(C)[C@H]1CC3 95919049 OJTUSJZQVLETGQ-NFXBSSLPSA-N 410.730 9.508 0 1 HKAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3ccc(-c4ccccc4)cc3CC[C@H]21 100620823 UQCDAZDJARDVHH-XNMGPUDCSA-N 406.529 5.947 0 1 HKAF CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(C(C)C)cc3)cc2)c1Cl 103193774 REVXRBJEKHFFLO-UHFFFAOYSA-N 411.933 5.482 0 1 HKAF Cc1ccccc1OCc1ccccc1-c1nc(-c2ccc(O)c(C(N)=O)c2)cs1 103198593 JLKLPMQQXZMODQ-UHFFFAOYSA-N 416.502 5.169 0 1 HKAF Cc1ccc(-c2cnnc(N3CC[C@@H](c4cccc(OCc5ccccc5)c4)C3)n2)o1 103226981 VVYVJRGYGKMYHQ-OAQYLSRUSA-N 412.493 5.013 0 1 HKAF COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc([C@@H](C)N2CCCC2)cc1 165250451 AACXEIZAHGONCA-OAHLLOKOSA-N 404.535 5.575 0 1 HKAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2ncc(C)s2)c1 167851381 FMAOIOLKTPUQSK-HNAYVOBHSA-N 422.550 5.245 0 1 HKAF CCCCc1nnc([C@@H]2C(C)=Nc3ccnn3[C@@H]2c2ccc(Cl)c(Cl)c2)o1 169722350 HDVMLGABIRENIG-QZTJIDSGSA-N 404.301 5.395 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc(Cl)c(F)c2)n1 205824563 HSFKPEDFHKVSKM-AWEZNQCLSA-N 421.907 5.818 0 1 HKAF CN(c1ccc(/C=C/C(=O)O)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12 218528835 YBOJGPZJNMJSJA-YIXHJXPBSA-N 417.486 5.845 0 1 HKAF CC(C)=CCC/C(C)=C\Cc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O 219527042 MBIJQAHZUBUPNM-CHHVJCJISA-N 422.477 5.518 0 1 HKAF C[C@@H]1CN(CCc2ccccc2)CC[C@H]1N(C(=O)c1ccco1)c1ccccc1F 299805055 HDPMDSHVUZALEU-DENIHFKCSA-N 406.501 5.019 0 1 HKAF CN(CCCCCCCCN1C(=O)c2ccccc2C1=O)Cc1cccc(Cl)c1 299853844 QWCXCJHHXFJKII-UHFFFAOYSA-N 412.961 5.409 0 1 HKAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(F)c(Br)c4[nH]3)c2)cc1 586879566 HJDKGDHVPFBWDV-UHFFFAOYSA-N 409.258 6.001 0 1 HKAF Cc1ccc(-n2ccnc2SCc2nc3cccc(Br)c3[nH]2)c(C)c1 586966397 MEVXHAQXCUGJDF-UHFFFAOYSA-N 413.344 5.420 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 586979854 XBJONHRRHNEIHI-UHFFFAOYSA-N 412.674 5.272 0 1 HKAF Cc1c(-c2ccc(Br)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586993877 RMWMLBZTAZXXQP-UHFFFAOYSA-N 414.302 6.493 0 1 HKAF Cc1nn(-c2cccc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c2)c(C)c1Cl 587065858 ZUAVAXAONRBYQD-UHFFFAOYSA-N 414.896 6.478 0 1 HKAF N[C@@H](N=O)c1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1 587067969 DKQFJAGXOXHCFB-FQEVSTJZSA-N 418.844 5.053 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c(C)nc(C)cc4[nH]3)c(Cl)cc12 587078575 WIESGXGKLAJDLD-ZDUSSCGKSA-N 411.889 5.427 0 1 HKAF Cc1cc(OCCCc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1Cl 587104917 YWNPUPIHNVJNAV-UHFFFAOYSA-N 413.904 6.420 0 1 HKAF COc1cc(-c2nc3c(C)cnc(Cl)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144440 XROFJSIAEQUWMG-UHFFFAOYSA-N 411.820 5.100 0 1 HKAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(Cl)cc(C)c3[nH]2)c1 587146962 CWIKBADFZUPLTC-UHFFFAOYSA-N 410.832 5.705 0 1 HKAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c2)c1 587160049 DMNUJWAZEJAKIJ-UHFFFAOYSA-N 418.415 6.657 0 1 HKAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc3ncccc3c2[nH]1 587231867 WKXXVJXUHHAPRV-UHFFFAOYSA-N 423.476 5.000 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCc3[nH]c4ccccc4c32)[C@@H]1c1ccc(F)cc1 587345655 JGEHGHKZAVJRRV-ZEQKJWHPSA-N 413.448 5.603 0 1 HKAF CC(C)[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349854 VPONMCBHFDVOEJ-RSXGOPAZSA-N 415.464 5.923 0 1 HKAF C[C@]1(c2ccc3c4c(cccc24)CC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352418 JDAIVCNJOXLFDL-XTEPFMGCSA-N 424.471 6.057 0 1 HKAF COc1cccc(-c2cc(-c3scnc3C(=O)O)nc3c2oc2ccccc23)c1 587365658 GCPHIPHRFUUMLK-UHFFFAOYSA-N 402.431 5.478 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(C)(C)[C@@H]3c2ccccc2)c1 587367769 UUXGYZVABIPVGB-XMMPIXPASA-N 405.497 7.080 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cc(Cl)cc(Cl)c3)cc1O)O2 587377422 IDMDISJEBGVPNK-OAQYLSRUSA-N 414.288 5.963 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(NC(=O)c3ccc(Cl)cc3)c1)O2 587379120 SQSWFDREFFUTBQ-NRFANRHFSA-N 406.869 5.189 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c1ccc1ccccc21 587406408 HCTSKWQMBRXUMP-HHHXNRCGSA-N 405.453 5.184 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(Br)ccc2C[C@@H]1C 587457762 MMLZFDYYJJDESO-LAJNKCICSA-N 401.300 5.160 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3ccc(Br)cc3[nH]1)CC2=O 587461597 XSIAWNKEXHZPEH-LJQANCHMSA-N 400.272 5.295 0 1 HKAF CCCCc1ccc(-n2cccc2[C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587469410 DUSZVZFEQGUHQZ-RUZDIDTESA-N 403.522 6.185 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](c2ccc(F)cc2)Nc2ccccc21 587472402 PTKKTTNDRRBRCF-ATIYNZHBSA-N 417.480 5.901 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OC(=O)c3ccccc3)c1)CC2=O 587482038 RBEGEOKYDSTUIR-QHCPKHFHSA-N 402.446 5.270 0 1 HKAF C[C@@]1(c2c(F)ccc(Cl)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587556367 JMQVXUXCWAZECD-UTKZUKDTSA-N 402.780 5.201 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)NCCc1ccccc1 587626082 PIHFRHWUQFSPGW-UHFFFAOYSA-N 414.349 5.486 0 1 HKAF CCOC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1cccc(C(F)(F)F)c1 587630037 OUROVWFEWHSGIJ-UHFFFAOYSA-N 413.754 5.387 0 1 HKAF CC(C)(C)OC(=O)Nc1c(CCCCC2OCCO2)[nH]c2ccc(F)c(Cl)c12 587631377 KRBWDFZLQLYZCZ-UHFFFAOYSA-N 412.889 5.393 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(Cl)ccc3Cl)c(-c3ccc(OC)cc3)c2c1 587640210 GHULWUFBGGTUBK-OAHLLOKOSA-N 424.371 8.331 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(OC(F)(F)F)c2)N1 587718525 IKHJFNSTQNVITE-ZKANADHPSA-N 422.191 5.250 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3)cc2F)N1 587724282 GQBDZQQZPYKCHF-WHEQGISXSA-N 414.293 6.018 0 1 HKAF CC[C@]1(c2ccc([C@@H](C)OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587791599 KDSADDJFRUZZNI-ZMOMAAQPSA-N 406.339 5.483 0 1 HKAF CCOc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCC 587802634 STKMBUACFLUACD-HXPMCKFVSA-N 408.311 5.009 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC1CC1 587804198 CUSQJKIJHZAFFO-ZSEKCTLFSA-N 404.323 5.309 0 1 HKAF CC(=O)C[C@]1(c2c(C)cc(C)cc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587809987 BSJZANDQIRCVRO-NYHFZMIOSA-N 418.350 5.270 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC23CC4CC(CC(C4)C2)C3)N1 587811439 FZMYUCIAXBMZKI-IZLCJXSQSA-N 406.383 5.944 0 1 HKAF CCCCC[C@@]1(c2ccc(O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587836244 ZYXSXXOCIJWAGU-SZNDQCEHSA-N 406.339 5.652 0 1 HKAF CO[C@@H](C)COC1CCC(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CC1 587950889 DWRGJJJAPSKCDL-ZBOXLXRLSA-N 424.385 5.678 0 1 HKAF CCCCCOc1cc2nc(/C=C(\C)CCC=C(C)C)[nH]c2cc1Br 587970158 ZBXIOCVUXIJJSH-FOWTUZBSSA-N 405.380 7.044 0 1 HKAF CC(C)(C)c1ccc2[nH]c(C(C)(C)C)c([C@@H]3NCCc4c(C(=O)O)cccc43)c2c1 963129551 GZCCTZZQSOCFAA-JOCHJYFZSA-N 404.554 5.696 0 1 HKAF CC[C@H](C)[C@@H]1CCCC[C@@]12N[C@@H](C(=O)O)Cc1ccc(Cl)c(C(F)(F)F)c12 963184363 RCYFCRDDODMVCX-YKNGJVEASA-N 403.872 5.389 0 1 HKAF Cc1nc2ccc(-c3ccc(CN4CCC[C@@H]4CO)cc3)cc2n1CCC1CCC1 1772615542 JQXKWXCLIPIEBH-XMMPIXPASA-N 403.570 5.159 0 1 HKAF COc1cc(N(CC2CC2)c2cccc3ccccc23)ccc1C(=O)[C@@H]1C[C@@H]1C(=O)O 1772616122 VDEAONBMFRVCMV-YADHBBJMSA-N 415.489 5.300 0 1 HKAF Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cc(C(=O)O)ccc2C(F)F)c1 1772629499 UVQVJUNCSWEIKU-UHFFFAOYSA-N 423.341 5.850 0 1 HKAF COc1ccc(OCC(=O)N(C)c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 1857545554 VQTXTTRFIAKHRU-UHFFFAOYSA-N 422.868 5.199 0 1 HKAF c1ccc(N2CCN(Cc3ccc(CCOc4cccc5ccccc45)cc3)CC2)cc1 1857616419 QAPHMXVFMVVYGA-UHFFFAOYSA-N 422.572 5.784 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C[C@](C)(C(=O)O)[C@@H]2CC=C(C)[C@H](CCc3ccoc3)[C@]2(C)C1 2356500605 XTFVHRXNAYKKTD-CLCBZUSPSA-N 414.542 5.564 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CCC2=C3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356507867 IZXQUMVHHUTUOE-QKDIGMOMSA-N 412.702 8.089 0 1 HKAF O=C(C=CC=CCCCCCCCCCCCCCCCCCO)N1CCCCC1 2356596670 PRNFXRJMEAUSFT-UHFFFAOYSA-N 419.694 7.345 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 3978431 KZJWDPNRJALLNS-QSAGBMRRSA-N 414.718 8.025 0 1 HKAF CCCCCCN(CC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 13445126 CLXOEIKOGMILQO-UHFFFAOYSA-N 420.388 6.052 0 1 HKAF CCNC(=O)Nc1ccccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1 13531310 SALBEPPKTYADGM-UHFFFAOYSA-N 407.901 5.764 0 1 HKAF CC(=O)[C@H]1CC=C2[C@H](CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)[C@H]1C(C)=O 13651636 FMYJTJNSCOXCIK-HRHCJDDBSA-N 418.512 5.108 0 1 HKAF C[C@@]12CCC=C[C@H]1[C@@H](c1ccc(F)c(Br)c1)N(Cc1ccccc1)C2=O 13830607 HBDGXYCVVBCCOG-UCNVEGJOSA-N 414.318 5.644 0 1 HKAF CCN(CC)CCCCCCCCCCCCNc1ccnc2cc(Cl)ccc12 27549658 XSBSCDFHIUGGLE-UHFFFAOYSA-N 418.069 7.543 0 1 HKAF CCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1cccc(C(C)(C)C)c1 40565805 MWGNNDYFMGHUER-UHFFFAOYSA-N 424.032 6.900 0 1 HKAF COc1ccc(C[C@@H]2c3cc(OCc4ccccc4)c(OC)cc3CCN2C)cc1 40836233 PVPYOIXVULOLHG-XMMPIXPASA-N 403.522 5.055 0 1 HKAF CCCCCC[C@@H](Sc1nc(Cl)cc(NCCOc2ccccc2)n1)C(=O)O 40863767 CVPIGGPQTFLRRW-MRXNPFEDSA-N 423.966 5.137 0 1 HKAF CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N(C)c1ccccc1C 40934310 RDNBSCGXQIOVJZ-RUZDIDTESA-N 414.593 6.704 0 1 HKAF CCCNC(=O)C1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 45167918 DBPXVSZVHBLXOF-UHFFFAOYSA-N 405.369 5.321 0 1 HKAF CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)Nc1ccc(C(F)(F)F)cc1 64637938 JPMKEJBZZZXURM-QGZVFWFLSA-N 406.404 5.010 0 1 HKAF CCOc1nc2cc(Br)ccc2c2[nH]c(-c3ccccc3Cl)nc12 73222626 FSDAYSZWCKJNII-UHFFFAOYSA-N 402.679 5.593 0 1 HKAF CC[C@@H](C)Nc1ncc(C(=O)NCc2ccccc2Cl)c(-c2ccccc2F)n1 82152824 LOJHITYYGZTKEH-CQSZACIVSA-N 412.896 5.077 0 1 HKAF COc1ccc(C(=O)n2c3ccc(Cl)cc3c3ccc([C@H](C)C(=O)O)cc32)cc1 95556681 IMFFSMJJQJCIJT-ZDUSSCGKSA-N 407.853 5.333 0 1 HKAF CC(C)c1ccc(/C=C/C(=O)NCCCCNc2ccnc3cc(Cl)ccc23)cc1 95594429 JBKRMBAYHOPABD-KPKJPENVSA-N 421.972 6.033 0 1 HKAF O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)C1CCN(c2nc3cc(Cl)ccc3o2)CC1 95598315 VDADWYKVUHMQAE-WOJBJXKFSA-N 423.944 5.150 0 1 HKAF CCS/C(O)=C1\C(C)=NC(c2ccccc2)=C(C(=O)OCc2ccccc2)[C@H]1CC 100038028 UCVMIVXGWDMOAT-MEQARESCSA-N 421.562 6.165 0 1 HKAF Fc1cccc(-c2nc3ccn(Cc4ccc(Br)cc4)cc-3n2)c1F 100068424 JBLIXOZXGNTMRD-UHFFFAOYSA-N 400.226 5.139 0 1 HKAF CC[C@H](C)[C@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1)CCCC3 113125424 IUPGJXUVHFRYGH-YWZLYKJASA-N 407.579 6.673 0 1 HKAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1ccc(F)c(-c2ccccn2)c1 167097578 VQPLFRGCTPINBH-HRAATJIYSA-N 420.484 5.015 0 1 HKAF COc1cccc2ccc(CNc3ccc(-c4c(-c5ccncc5)cnn4C)cc3)nc12 169326629 UTHHAQZDZHMZRV-UHFFFAOYSA-N 421.504 5.318 0 1 HKAF CCCCC[C@]1(c2ccccc2)CC(=O)[C@H](Sc2ccccc2C(C)C)C(=O)O1 169721663 QLVSGNQNTLCWPY-UKILVPOCSA-N 410.579 6.263 0 1 HKAF O=C(O)C[C@@H](CC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1)c1ccccc1 217063021 GRSLZTOJSVMRGD-QGZVFWFLSA-N 409.869 5.719 0 1 HKAF C[C@@H]1[C@H]2C3=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@H]2CC[C@H]1C 238764225 PGJJEFIRPZZQMS-GSIPCWRLSA-N 412.702 7.635 0 1 HKAF CN(Cc1cccc(Cl)c1)Cc1cccc(COc2ccc3ccc(=O)oc3c2)c1 473130088 JJNAHUGASQONNX-UHFFFAOYSA-N 419.908 5.657 0 1 HKAF CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(/C=C/C(=O)O)cc1F 473135985 MIRYPYUKFAXFFQ-JTPUKKJKSA-N 424.491 5.536 0 1 HKAF CCCCOc1ccc(C(=O)NN2Cc3ccccc3N[C@H]2c2ccc(C)cc2)cc1 474605826 GGRQDEOVQXCXCL-RUZDIDTESA-N 415.537 5.445 0 1 HKAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 586888635 LMQCPZHTQMJHEZ-HWPZZCPQSA-N 413.237 5.490 0 1 HKAF CCc1oc2ccccc2c1-c1nc2c(I)cnc(Cl)c2[nH]1 586904334 RZQLHLMVQPYQBL-UHFFFAOYSA-N 423.641 5.192 0 1 HKAF Cc1cc(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)ccc1Br 586976464 LMFNMLCJAUHMMU-UHFFFAOYSA-N 409.352 6.376 0 1 HKAF Cc1ccc2c(ccc3[nH]c(-c4cccn4-c4ccc(Br)cc4C)nc32)n1 586980619 BPQXUDBLZHIKDE-UHFFFAOYSA-N 417.310 5.948 0 1 HKAF Cc1cccc([C@@H]2CC(=O)Cc3nc4ccc(O)c5c4c(c32)-c2ccccc2C5=O)c1 586990062 ILIYWDUVUANKGG-IBGZPJMESA-N 405.453 5.107 0 1 HKAF CCCCC[C@H]1c2nc3ccc(O)c4c3c(c2C[C@@H]1CC(=O)O)-c1ccccc1C4=O 586990142 JHIMJKCKMIGYHU-HUUCEWRRSA-N 415.489 5.463 0 1 HKAF Clc1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2n1 586998589 MZOHBVGSLAZKHP-UXBLZVDNSA-N 400.663 5.804 0 1 HKAF Fc1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1F 586998903 RUPDCALVTSDXND-POHAHGRESA-N 401.210 6.034 0 1 HKAF Brc1cncc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 587040218 LRPBMKLRGBPYPK-UHFFFAOYSA-N 423.339 5.566 0 1 HKAF FC(F)(F)c1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cn1 587041034 UDVOSGPUQYKFCW-UHFFFAOYSA-N 412.440 5.822 0 1 HKAF FC(F)(F)c1cccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 587067752 NVRIJLZXCJFDJG-UHFFFAOYSA-N 408.210 6.618 0 1 HKAF Cc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1Cl 587072403 VRRUFXZQSSZDDR-INIZCTEOSA-N 420.340 5.987 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(C)c(F)cc4[nH]3)c(Cl)cc12 587078611 XJYKJIKKBVKXGM-GFCCVEGCSA-N 414.864 5.863 0 1 HKAF Fc1cnc(Cl)c2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc12 587082034 DRUHJKYUWLKFNN-UHFFFAOYSA-N 409.251 6.286 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(N5CCCC5)cc4O)nc13)-c1ccccc1C2=O 587096323 HKDNLCWRMLJRBI-UHFFFAOYSA-N 406.485 5.727 0 1 HKAF Cc1c(-c2ccc(Br)cc2O)nc2cccc3c2c1-c1ccccc1C3=O 587102510 WFPXEDKWARGGAT-UHFFFAOYSA-N 416.274 5.890 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H]1CN(Cc2ccccc2)C[C@@H]1C3 587105548 CYXFIHPOGIIBQW-MBSDFSHPSA-N 402.497 5.218 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4cc(Br)cnc4[nH]3)ccc2F)cc1 587139811 YCMFCPVXTWJVLE-UHFFFAOYSA-N 410.246 5.396 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587189456 CEWPJYOSNRDOGI-KRWDZBQOSA-N 423.410 5.677 0 1 HKAF C[C@@]1(C(=O)c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330100 NDAIYAASBIYCKN-NFBKMPQASA-N 410.828 5.185 0 1 HKAF CCOC(=O)C(CC)(CC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347040 KUEXIVVPIAHHCD-NFBKMPQASA-N 414.473 5.018 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(Cl)cc3)nc3sccn13)O2 587415464 SWQJRBGTTIRHKV-KRWDZBQOSA-N 409.898 5.313 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(SC)cc4)cc1F)[C@@H](C2)C3=O 587427792 VODXBXDMNIOHRP-CYFREDJKSA-N 406.478 5.712 0 1 HKAF CCCCOc1c(Cl)cc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OC 587461171 QCZWAJHSMAYKFU-HXUWFJFHSA-N 418.917 5.892 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(OC)c(OC)c1)CC2=O 587480257 OGUBTVOZLFMLHQ-SANMLTNESA-N 418.489 5.271 0 1 HKAF CC(C)[C@]1(c2cn(CC(=O)O)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587515368 LIVNAHCAESXBTG-SANMLTNESA-N 417.505 5.121 0 1 HKAF Cc1ccc([C@]2(c3c(N)sc(C)c3C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531425 KBRHKDOXWSFDSK-SANMLTNESA-N 417.574 6.043 0 1 HKAF O=C1C[C@]2(C[C@H](c3ccccc3)Oc3ccc(O)cc32)Oc2c1ccc1c2CCCC1 587535123 IQRAKSWGIPVYRT-XNMGPUDCSA-N 412.485 5.656 0 1 HKAF CC(C)CC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544058 DHVOJGMXBKMIPK-RDGATRHJSA-N 422.908 6.339 0 1 HKAF C[C@@]1(c2cc(Cl)cc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544599 FPDAWPWRORRROW-NQIIRXRSSA-N 401.245 5.576 0 1 HKAF CCCc1ccc(OCC)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587594378 HCPREMOVUGYQRQ-RCZVLFRGSA-N 404.462 5.446 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2cc(Cl)ccc2Cl)N1 587695817 SFFYWBXXTYKOBL-MLCYQJTMSA-N 417.149 5.887 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1C(F)(F)F 587712621 PUTRRIUDCWLXPX-BTDLBPIBSA-N 402.229 5.539 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SC(F)F)cc2)N1 587720716 UHSVLVLTPLBZGQ-ABKXIKBNSA-N 402.279 5.527 0 1 HKAF Cc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587751790 ATPNLHYFWJTISJ-NYHFZMIOSA-N 413.334 5.619 0 1 HKAF Cc1cc(C)c(-n2cccn2)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587757664 HHYMSVVXTVBMPN-JLTOFOAXSA-N 414.322 5.014 0 1 HKAF CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)C 587800870 HSLQSDDWRHNDAZ-ZSEKCTLFSA-N 406.339 5.734 0 1 HKAF CCOc1cc(CC[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587801655 MYYZTYIBOYKZPV-YEJXKQKISA-N 422.338 5.075 0 1 HKAF CCOc1ccc(OCC)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587804414 ZGXDBHJKXUWLDC-YEJXKQKISA-N 422.338 5.183 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(OC(C)C)cc1 587862389 MGZNZNXIACVQDZ-UHFFFAOYSA-N 404.388 5.053 0 1 HKAF C[C@H](CC1CCCCC1)[C@H]1c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961779614 GQJLLHIUNSKXEO-KOSHJBKYSA-N 412.618 6.486 0 1 HKAF COc1ccc2c(c1)[C@](C)(CC(=O)c1ccc(C3CCCCC3)cc1)N(C(C)C)CC2 962090368 KVIBWZMOMNRTRZ-NDEPHWFRSA-N 419.609 6.498 0 1 HKAF COc1ccc(CC[C@@]2(C3(O)CCCCC3)c3c(F)cccc3C[C@H]3CCCN32)cc1 963101215 QPOGDGQFLQFQDE-AMGIVPHBSA-N 423.572 5.378 0 1 HKAF Cc1ccc(CC[C@@]2(c3cccc(F)c3)c3c(F)cccc3C[C@H]3CCCN32)cc1 963113525 RLVSRNIMKQLNSR-SHQCIBLASA-N 403.516 6.170 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1ccccc1)c1cc2cccc(OC)c2o1 963234860 VSZHPJFIWVRPOV-WTYVLRPYSA-N 411.545 6.390 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1cc(C(C)=O)c[nH]1)C(Cl)(Cl)Cl 963235026 FIAHUXAERDIUKZ-DJJJIMSYSA-N 413.776 5.488 0 1 HKAF O=C(Nc1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccnc(F)c1 1772654302 PGGKILTYPNKZFW-UHFFFAOYSA-N 415.255 5.178 0 1 HKAF Brc1cnc2[nH]c(-c3cc4ccccc4n3Cc3ccccc3)nc2c1 1857749842 NTBCTLCAXMCKGH-UHFFFAOYSA-N 403.283 5.390 0 1 HKAF CC1=C[C@H](CNC(=O)c2ccccc2)[C@@H](C(C)C)C[C@H]1Cc1nc2ccccc2n1C 2356286660 KTIPFZAETACNQN-YTFSRNRJSA-N 415.581 5.400 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC[C@]56C[C@]5(C)C(=O)CC[C@@H]6[C@]4(C)CC[C@@]3(C)[C@H]2C1 2356434966 LBIQJQUFSJKHIO-ZRRQEYKTSA-N 424.713 8.211 0 1 HKAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](OC(=O)C=C(C)C)[C@H](C)[C@@]21C 2356620500 UYCYCVGKTVFCMC-YUHMEOPASA-N 414.542 5.625 0 1 HKAF CC(=O)O[C@@H]1CC[C@@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@H](C)C=CCC(C)C)CC[C@H]32)C1 2356706802 UCACJVAPKGZMLE-KDUQYAJWSA-N 414.674 7.425 0 1 HKAF CCCCCCSc1ccc(-c2nc3cnccn3c2NC2CCCCC2)cc1 95565639 KUKVSYRUXLYCEJ-UHFFFAOYSA-N 408.615 6.813 0 3 HKAF Cc1cc(-n2c(SCc3ccccc3F)nc3nnc(C)c-3c2N)ccc1Cl 101561222 JGINUQJAQPAWDL-UHFFFAOYSA-N 413.909 5.051 0 3 HKAF Brc1ccc2c(c1)[C@H]1[C@H](CO2)C(c2ccccc2)=NN1c1ccccc1 5823920 AHEUPDMAZMYINJ-KNQAVFIVSA-N 405.295 5.423 0 1 HKAF CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2)CC1 13488931 ONGDGNSWVOSLPV-UHFFFAOYSA-N 406.570 5.090 0 1 HKAF CC[C@@]12CCCN(Cc3ccccc3)[C@@H]1c1c(n(C)c3ccccc13)[C@@H](C(=O)OC)C2 17215798 YFCBXMUGKAVGTO-BBVXACFBSA-N 416.565 5.572 0 1 HKAF CCc1sc(NS(=O)(=O)/C=C/c2ccccc2Cl)nc1-c1ccccc1 26948583 LZUGNMAPBHGADE-OUKQBFOZSA-N 404.944 5.439 0 1 HKAF c1ccc(Cn2nc(C3CCNCC3)cc2-c2ccc(Oc3ccccc3)cc2)cc1 27197134 QOVOBEQFFQZNKM-UHFFFAOYSA-N 409.533 5.858 0 1 HKAF C[C@@H]1CCCN1Cc1cccc(-c2ccc(C(=O)NCCOc3ccccc3)s2)c1 45188638 DSQKBRTWHLIGCV-LJQANCHMSA-N 420.578 5.208 0 1 HKAF CCN(c1cc(C)nc(Nc2ccc(Cl)cc2)n1)[C@H]1CCN(Cc2ccccc2)C1 45192561 QIMVQRCVMQGUDO-QFIPXVFZSA-N 421.976 5.283 0 1 HKAF CCOC(=O)[C@@H](C)CCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1 59029401 JIZHOPJSMAYQIB-FQEVSTJZSA-N 404.554 6.285 0 1 HKAF CC[C@H](C)[C@H](NCc1cccc(C)c1)c1nc(-c2ccccc2)c(N2CCCCC2)o1 72186308 HPDABLZTKGCWJC-URXFXBBRSA-N 417.597 6.517 0 1 HKAF CCN(Cc1ccccc1)C(=O)c1cnc(NC2CCCC2)nc1-c1ccc(F)cc1 82141374 ASXYTDQIXOONQF-UHFFFAOYSA-N 418.516 5.300 0 1 HKAF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccccc3F)n2)C1 82150791 VAHWGYQBAQSRFZ-ROUUACIJSA-N 424.564 5.075 0 1 HKAF Cc1ccc(C[C@H]2CN(C(=O)NC3CCCCC3)N=C2c2ccc(Cl)c(C)c2)cc1 95572393 UCDCIZSUJJLWLA-NRFANRHFSA-N 423.988 5.878 0 1 HKAF CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc(OC)cc1 100703879 ULDLFKTXHBSADK-MRXNPFEDSA-N 411.527 5.153 0 1 HKAF [125I]c1ccc2nc(-c3ccc(-c4cccs4)s3)sc2c1 102905514 BQDQTHDUKZKUMJ-RFLHHMENSA-N 423.342 6.358 0 1 HKAF Nc1c2c(nc3c1[C@@H](c1ccc(Br)cc1)c1ccc(O)cc1O3)CCCC2 103268668 XDSLJKLJFYBVGH-IBGZPJMESA-N 423.310 5.297 0 1 HKAF COc1ccc(OC)c([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccc4ncccc4c32)c1 104048898 ZEMDVGWEKWLPLL-DEOSSOPVSA-N 414.505 6.102 0 1 HKAF Fc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc(C(F)(F)F)c1 139825515 MLMMODCHTFWPRO-UHFFFAOYSA-N 424.401 5.454 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-c2cncs2)c1 167131246 ACRPTJULOPXGFI-GOSISDBHSA-N 408.523 5.081 0 1 HKAF CCCCNC(C)(C)C[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 169334013 LKDLWGJKEJSMMI-HNNXBMFYSA-N 422.413 5.864 0 1 HKAF C/C=C(/C)C(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H](CC[C@H](C)CC(=O)O)C(C)=CC[C@@H]12 238731654 ZIOOTRWFFVRLEB-RCDXPRJZSA-N 404.591 6.166 0 1 HKAF Fc1ccc(-c2nnc(-c3sc4ncccc4c3-c3ccc(Cl)cc3)o2)cc1 299829935 TVJCLOAQEVINFL-UHFFFAOYSA-N 407.857 6.473 0 1 HKAF CSc1ccc(NC(=O)Nc2cc([C@H]3CC3(F)F)nn2Cc2ccccc2)cc1 299831813 ZLLQSURPQGNPPT-QGZVFWFLSA-N 414.481 5.420 0 1 HKAF Brc1ccc(-c2nc(Nc3ccccn3)sc2Br)cc1 299836227 MLQSIEBRWOTXME-UHFFFAOYSA-N 411.122 5.474 0 1 HKAF O=C(Nc1cccc(-c2cccc(N3CCCC3)n2)c1)Nc1ccc2ccccc2c1 299837514 QWLSDGPJFRNTFW-UHFFFAOYSA-N 408.505 6.146 0 1 HKAF Cc1cc(N2CC[C@H](CN3CCC[C@H]3C)C2)ccc1NC(=O)c1ccc2cc[nH]c2c1 299845111 MOLASSDTWOISGN-WOJBJXKFSA-N 416.569 5.039 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)cc1 586879635 LRDLYUNDRQHYES-UHFFFAOYSA-N 420.468 6.696 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)cc1 586880229 VPOSICMGPICJFR-UHFFFAOYSA-N 412.367 5.802 0 1 HKAF CC(=O)c1ccc(-c2cccc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2)cc1 586881504 XKCBYYDXNXLCSL-UHFFFAOYSA-N 416.790 5.513 0 1 HKAF c1ccc(C(SCCc2nc3cnncc3[nH]2)(c2ccccc2)c2ccccc2)cc1 586970587 MOJOQABBSRWBBZ-UHFFFAOYSA-N 422.557 5.621 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc2c1 587016221 RZTBNXPZWAPWQI-UHFFFAOYSA-N 404.720 6.078 0 1 HKAF Fc1cc(C(F)(F)F)c2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2c1 587052031 VHYSXKDVXDVPSZ-UHFFFAOYSA-N 415.173 6.955 0 1 HKAF COc1cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2cc1F 587057784 UWPQOCYKYWEUIZ-UHFFFAOYSA-N 407.228 5.856 0 1 HKAF N[C@H](N=O)c1ccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2c1 587060399 LHBNPUDFEMJASU-JOCHJYFZSA-N 413.868 5.822 0 1 HKAF Cc1c(Cl)ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587068981 CEAALXRXWKCDQS-KPKJPENVSA-N 409.316 6.928 0 1 HKAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc4c(c3[nH]2)CCCC4)c1 587147558 SZOGHJQKUVZEIH-UHFFFAOYSA-N 416.452 5.622 0 1 HKAF COc1cccc(-c2cc(-c3cccc(OC(F)F)c3)nc3c2oc2ccccc23)c1 587360825 RAMDSIJLMYGPKJ-UHFFFAOYSA-N 417.411 6.925 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3ccccc3n1Cc1ccc(Cl)cc1)O2 587379692 WBQVBPMJFAFFDG-JOCHJYFZSA-N 417.896 5.335 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1ccc(OC)c(C)c1)[C@@H](C2)C3=O 587424002 WKNMFKALJAFBNC-CPJSRVTESA-N 420.892 5.357 0 1 HKAF COc1cc2c3c(c1)O[C@](CSc1ccccc1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587429805 XCQUROCHNXPPFM-GBXCKJPGSA-N 406.478 5.270 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccccc3)nc1C(C)(C)C)CC2=O 587474675 GHMGJHGGGNFPKX-QHCPKHFHSA-N 418.537 5.594 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Oc1ccc(-c3ccccc3)cc1)CC2=O 587480703 GCDSJZHIJJXDBY-DNOBIOAJSA-N 416.517 6.203 0 1 HKAF COc1cc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(Cl)nc2cc1OC 587501112 QXOBTHYYRRRUDL-HXUWFJFHSA-N 423.896 5.491 0 1 HKAF CCc1cc(CC)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(CC)c1 587604399 WGSROJCJKMCTGB-BVAGGSTKSA-N 402.490 5.782 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(C)ccc3O)c(C(=O)c3ccc(Cl)cc3)c2c1 587641147 KQCQUFUUSDUVSR-INIZCTEOSA-N 417.936 7.247 0 1 HKAF Cc1cc(C(F)(F)F)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587710130 FJVDDJXYHKAVQE-BTDLBPIBSA-N 402.229 5.539 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(Br)c(O)c3[nH]2)c1 587779666 CBCOAPIZVNBSRB-UHFFFAOYSA-N 409.283 5.764 0 1 HKAF COc1ccc2[nH]cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1C 587794911 WIJROXPUQRTLEB-WVDJIFEKSA-N 403.295 5.010 0 1 HKAF Cc1cccc2c3c([nH]c12)[C@]1(CCC3)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800569 BRGGZLDCVNDMGM-WHEQGISXSA-N 413.334 5.492 0 1 HKAF CCOc1ccc(OCC)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587803525 WWMXSNJAXSNEGZ-ODXCJYRJSA-N 408.311 5.009 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(C2CCCCC2)N1 587817650 DGILRFITYNFVGD-HJPURHCSSA-N 416.378 6.141 0 1 HKAF CCc1ccc(CC(C)(C)[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587821701 XCJOBALDYISPDA-LHSJRXKWSA-N 404.367 5.995 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2/CCCO2)(c2ccccc2)N1 587831817 ABXLAMMDLLBJJT-VXPPHMPBSA-N 402.307 5.060 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC2CCOCC2)(c2ccccc2)N1 587834612 LQXAAVQWUULJKG-QRQCRPRQSA-N 418.350 5.183 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1cccc(C)c1C 587864201 GWTZZATXEYKDHW-UHFFFAOYSA-N 418.415 5.304 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 587866378 ZJUVVDQAPXQUGC-APWZRJJASA-N 406.448 5.846 0 1 HKAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(Cl)cc(Br)c4[nH]1)(C3)C2 587951386 ZGTYJJDWAKBZHJ-ORMMXULVSA-N 423.738 5.132 0 1 HKAF Cc1nc(-c2cccc(Cl)c2)sc1COc1ccc2c(c1)OC[C@H]2CC(=O)O 653740411 ANKBTKFKNQIIQO-CQSZACIVSA-N 415.898 5.302 0 1 HKAF FCCn1cc(CCCCN2CCC3(CC2)OCc2ccccc23)c2ccccc21 653782553 DGIDSZIWWGECRP-UHFFFAOYSA-N 406.545 5.455 0 1 HKAF Fc1ccc(-c2nc3ccccn3c2[C@H]2NCCc3cccc(-c4ccccc4)c32)cc1 962666649 KXUAATCIPADLKB-MHZLTWQESA-N 419.503 6.043 0 1 HKAF COc1ccc([C@]2(c3ccc(C)cn3)c3ccsc3CCN2Cc2ccco2)cc1 962711030 SMLVTTQWHFDPBW-RUZDIDTESA-N 416.546 5.403 0 1 HKAF Cc1sc2c(c1C)CCN[C@]2(c1ccc(F)cc1)c1ccc(Cl)cc1Cl 963034098 YHJXIJPMWSKZHF-OAQYLSRUSA-N 406.353 6.248 0 1 HKAF O=C(O)c1ccc(C[C@]2(c3ccccc3)NCCc3c(Cl)cc(Cl)cc32)cc1 963121554 NKAKZSOKHLAWIV-HSZRJFAPSA-N 412.316 5.324 0 1 HKAF CCOC(=O)c1c(-c2cc(C)ccc2OC)oc2ccc3c(c12)CN(CC1CC1)CO3 1772604097 FPCIXPPKPCWDCQ-UHFFFAOYSA-N 421.493 5.155 0 1 HKAF CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(=O)O)c2c1-c1ccccc1C 1857572558 GJAONYLLHONJCI-GOSISDBHSA-N 418.518 5.304 0 1 HKAF CC(C)=CCCC(C)=CC=CC1=C[C@@]2(C)C[C@@]1(C)[C@@H](C=C(C)CCC=C(C)C)CC2=O 1857623149 XWYRFBXKAWNVEG-LOAGWBBBSA-N 420.681 8.860 0 1 HKAF CN(C)CCOc1ccc(N[C@H]2Cc3ccccc3CSc3ccccc32)cc1 1857632043 YXKKNTACSGAWFM-DEOSSOPVSA-N 404.579 5.629 0 1 HKAF CC(=CCN1[CH]N(C)c2ncnc(N)c21)CC[C@]1(C)C2=CCC[C@H](C)[C@]2(C)CC[C@@H]1C 2356305485 JESXBXHCYMGUJV-HKDRDPIHSA-N 422.641 5.960 0 1 HKAF O=C(O)CCC=C1CC[C@H](c2ccc(O)cc2)[C@@H](CCCCCC[C@@H]2C=CCC2)C1 2356367269 ZQMKWTFIKQVFIO-LJGDZFJRSA-N 410.598 7.374 0 1 HKAF CC(=CCO)CCC1=C(C)[C@H](O)[C@H](OC(=O)CC(C)C)[C@@H]2C(C)(C)CCC[C@@]12C 2356471098 KLRYQYMRBCEOHD-UCKMRUJXSA-N 406.607 5.187 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)c(C)cc(-c2coc3cc(O)ccc3c2=O)c1O 2356665100 SQRWEHOYNAHHBD-UHFFFAOYSA-N 420.505 6.120 0 1 HKAF Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(F)cc2)c1C(=O)c1c[nH]c2ccccc12 199710659 WEKCRAYKQPIFEH-UHFFFAOYSA-N 423.447 5.346 0 3 HKAF C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@H]4CC(=O)[C@H]5CCCC[C@@]5(C)[C@@H]4CC[C@]3(C)[C@H]1[C@H]2C 263590659 GDYOHNPSZXFUIG-SDHOIBLVSA-N 414.630 6.002 0 3 HKAF Fc1ccc(-c2c(-c3ccncc3)n(CCN3CCCCC3)c3cccnc23)cc1 585891 IAYFZPCPRAMGGV-UHFFFAOYSA-N 400.501 5.390 0 1 HKAF CCc1nc2c(n1[C@@H](CC)C(C)C)C(=O)N(C)CN2c1ccc(C(C)C)cc1Cl 13582848 MDWZJZSRGGMTKH-SFHVURJKSA-N 416.997 6.011 0 1 HKAF Cc1cc2c(c(C)c1Cl)[C@@H](c1ccc3c(c1)OCO3)C[C@@](O)(c1ccccc1)O2 13829999 KYYVRYSZSONILS-KOSHJBKYSA-N 408.881 5.445 0 1 HKAF CCOc1ccc(Oc2c(OC)cc(N[C@@H](C)CCCN)c3nccc(C)c23)cc1 26293242 DFKRSDRFYOXMEL-KRWDZBQOSA-N 409.530 5.282 0 1 HKAF Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)N32)cc1 26772158 GSIRJUOXIVJFSV-ILBGXUMGSA-N 421.500 5.268 0 1 HKAF biogenic O=C(C[C@H](c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 28393739 YLLIOQNXNMNTDH-OAQYLSRUSA-N 419.329 5.781 0 1 HKAF CCOC(=O)c1[nH]c(Br)c(-c2ccc3ccccc3c2)c1Br 29124127 DNZWENASNVCOKB-UHFFFAOYSA-N 423.104 5.537 0 1 HKAF CCN(CC)CCC[C@H](C)Nc1nc(/C=C/c2ccccc2)nc2ccc(Cl)cc12 29466817 ZHKLGRXKJVJBBA-XAVZPLJISA-N 423.004 6.376 0 1 HKAF Clc1ccc(C[C@@H](Cc2ccc(-c3ccccc3)cc2)n2ccnc2)c(Cl)c1 32090087 NVQBYKHOPUTNFK-HSZRJFAPSA-N 407.344 6.883 0 1 HKAF Cc1ccc(F)cc1C(C)(C)C[C@@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F 34633688 JKPOACVGQYPLBU-JOCHJYFZSA-N 421.434 5.110 0 1 HKAF CC(=O)C1=NN(c2ccc(Cl)cc2)SC12c1ccccc1Oc1ccccc12 40974985 MCPCUGMBLNKAMJ-UHFFFAOYSA-N 406.894 5.803 0 1 HKAF c1cc(CNCCc2ccncc2)cc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1 45201907 XANOFJXUGXAPLZ-UHFFFAOYSA-N 404.517 5.624 0 1 HKAF O=c1[nH]c(CNc2cccc(O)c2)nc2c1sc1ccc(-c3ccsc3)cc12 45298494 VNMVTYUOFYWKCY-UHFFFAOYSA-N 405.504 5.184 0 1 HKAF O[C@@](c1ccnc(Cl)c1)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F 49071271 HOMRLSWXGFQYGM-LJQANCHMSA-N 421.781 5.011 0 1 HKAF O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1ccc(-c3ccc4c(c3)OCO4)cc12 61924068 MLXPLRFBNSISMA-OFNKIYASSA-N 413.473 5.653 0 1 HKAF CC(C)(C)CC(C)(C)c1ccc(OC(=O)C(Cl)(C(F)(F)F)C(F)(F)F)cc1 68574113 GEQGJOINNABHCX-UHFFFAOYSA-N 418.805 6.408 0 1 HKAF biogenic O=C(O)c1cc(-c2ccsc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2c1 71317976 GKGGDVCJQYSQAU-UHFFFAOYSA-N 414.404 6.832 0 1 HKAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NC3CCCC3)nc2-c2ccccc2F)C1 82151410 XXIISDSEGFZKSR-SJORKVTESA-N 410.537 5.288 0 1 HKAF c1ccc(CCn2c(C3CCCCC3)nc3c(NCc4cccs4)ncnc32)nc1 82190356 MMRSMQBOALCAED-UHFFFAOYSA-N 418.570 5.185 0 1 HKAF CC(C)C1=CC2=CC=C3C(C)(C)[C@@H](OC(=O)c4ccccc4)CC[C@]3(C)C2=C(O)[C@H]1O 95486063 UAFNBKSIDYRJDO-MYIHVTGJSA-N 420.549 5.674 0 1 HKAF biogenic,in-vitro O=C(/C=C/Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cccc(C(=O)O)c1 95579334 LVWRGJVPTQVTPP-CMDGGOBGSA-N 417.505 5.384 0 1 HKAF Cc1ccsc1C(=CCCN(C)[C@@H]1CCCC[C@@H]1C(=O)O)c1sccc1C 95584837 WVEAQTILSGURKS-PKOBYXMFSA-N 403.613 5.823 0 1 HKAF Fc1cccc(F)c1[C@@H]1CC(c2ccccc2)=NN1c1nc(-c2cccnc2)cs1 98084616 QIKVUGDKNAGNSN-NRFANRHFSA-N 418.472 5.839 0 1 HKAF O=C(Nc1ccccc1)Nc1ccc2c(c1)NC(=O)/C2=C/c1ccc(Cl)c(Cl)c1 102095100 TZVSYFJXPKYFNO-LICLKQGHSA-N 424.287 6.130 0 1 HKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(OCc2cccc(Br)c2)nn1 103169636 XZBUKYSJJLEDKC-UHFFFAOYSA-N 423.232 5.812 0 1 HKAF C[C@H]1C[C@H](CNc2ccccc2)CC[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1Cl 117311088 MAFXSFPELKMUMP-MDOVXXIYSA-N 424.894 6.006 0 1 HKAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118919972 ORPDGDBKUOHGBE-QVJUQYADSA-N 401.723 7.696 0 1 HKAF Cc1ccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1F 138759196 REINZTMELYMEKY-UHFFFAOYSA-N 417.914 5.897 0 1 HKAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2ncc(C)s2)c1 167851277 FMAOIOLKTPUQSK-KXBFYZLASA-N 422.550 5.245 0 1 HKAF CCOc1cc(CNC2CC2)cc(Cl)c1OCc1ccc(Br)cc1 169340703 NURIDNFEUHJSDB-UHFFFAOYSA-N 410.739 5.332 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(C)s2)cc1)C3 195240249 WNGKSXJKUCQJJD-GVRMPEKYSA-N 407.579 5.400 0 1 HKAF COc1ccc(O)cc1-c1cc(Cl)cc([C@H](CC(=O)O)c2ncc(C)s2)c1 219435194 XDEUGCOFNZASFI-KRWDZBQOSA-N 403.887 5.093 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 255254589 OMKJDABLEGUPIE-WWWYLYDKSA-N 424.713 8.687 0 1 HKAF Cc1noc(C)c1-c1ccc(-c2nc3ccc(C(=O)O)cn3c2NC(C)(C)C)cc1 299821925 CMLDKOAVOHETFN-UHFFFAOYSA-N 404.470 5.182 0 1 HKAF COc1c(F)cc(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)cc1F 586985503 FFLOWGOWVYMYRU-UHFFFAOYSA-N 403.384 5.414 0 1 HKAF Cc1c(Br)cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1C 587052217 YSTVJHLOUCICIW-GHMZBOCLSA-N 410.142 6.520 0 1 HKAF COc1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2cc1F 587082030 DPJKOMMRSZALIK-UHFFFAOYSA-N 403.844 6.246 0 1 HKAF O=C(CSCc1nc2cc(Cl)c(F)cc2[nH]1)Nc1ccc(C(F)(F)F)cc1 587113271 GHSGKNVXDONZBG-UHFFFAOYSA-N 417.815 5.246 0 1 HKAF Cc1cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2cc1Br 587124806 LXUPOPWFCDIWQG-DAXSKMNVSA-N 413.262 6.416 0 1 HKAF COc1cc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1Cl 587150569 MFONKUWGBMZJRV-FQEVSTJZSA-N 400.812 5.672 0 1 HKAF C[C@H](CSc1ccc(F)cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 587170023 HWJCVIOCMQNSGN-MRVPVSSYSA-N 400.704 5.409 0 1 HKAF COc1cccc(-c2cc(-c3oc4ccccc4c3N)nc3c2oc2ccccc23)c1 587364059 ZUDVVIQYRLWOIN-UHFFFAOYSA-N 406.441 6.652 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)c(Cl)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587421707 REAZAUUPXMOAQW-KPZWWZAWSA-N 417.210 5.684 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(Br)c(C)c1)CC2=O 587455810 GMLVFMJVYPULIF-OAQYLSRUSA-N 403.316 5.686 0 1 HKAF CCCCc1ccc(-n2cc([C@@H]3CC(=O)c4ccc(O)c(CCC)c4O3)cn2)cc1 587474668 FZGFTBZEISEDSS-DEOSSOPVSA-N 404.510 5.580 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(SCc3ccccc3)cc1)CC2=O 587491174 JXMIOZOUCBGAHF-DEOSSOPVSA-N 404.531 6.344 0 1 HKAF Cc1cc(Br)cc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c12 587496061 HKVCXKYRMGWFTP-FQEVSTJZSA-N 410.311 5.824 0 1 HKAF CCOc1ccc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587503263 NMLOCFSPOXIOJA-FQEVSTJZSA-N 401.300 5.433 0 1 HKAF O=C1C[C@H](c2c(Cl)cc(C(F)(F)F)cc2Cl)Oc2c1ccc1c2CCCC1 587508469 OXJPCYHEMXHHDN-QGZVFWFLSA-N 415.238 6.598 0 1 HKAF Cc1ccc(C(=O)Oc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 587520619 AUXQXKGXEOYASC-VWLOTQADSA-N 412.485 5.800 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H](Cc1ccccc1)C2 587604933 VYANSHLVNQORDP-FRPAHBMMSA-N 400.474 5.526 0 1 HKAF Cc1cc2c(cc1C)[C@@]1(CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607125 GGFQTJKBHMUVLM-RCZVLFRGSA-N 402.446 5.039 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(Br)c2)N1 587679310 MVXODKDQBAHQKS-QGHHPUGFSA-N 413.128 5.148 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc(Cl)c2Cl)N1 587691081 BRJAUVHGGYUDJZ-GYKQLYQFSA-N 423.540 6.172 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2SC(F)(F)F)N1 587714498 ABNPYZNYQJHLCX-FVMDXXJSSA-N 420.269 5.824 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2F)N1 587718235 MVSWIKNMGBQEHO-ZKANADHPSA-N 417.091 5.113 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccc(F)cc3)n2)N1 587735931 RUWQKVMUJDIOJM-XUSGNXJCSA-N 415.281 5.413 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(-c3cccc(-c4ccc(OC)c(O)c4)c3)nc2c1 587787211 RREVWRHARQBLEA-UHFFFAOYSA-N 408.841 5.051 0 1 HKAF COc1ccc(OC)c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1OC 587797745 SHQSZVVFXULYGJ-UHFFFAOYSA-N 420.309 5.293 0 1 HKAF CC1=C(CC[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)CCC1 587810236 CEJSZMZOFHTSNN-OYHNWAKOSA-N 408.399 6.644 0 1 HKAF COc1cccc([C@@H]2CCCC[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)c1 587810672 UDWRMMPCXACPST-JVJLVOBOSA-N 418.350 5.684 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccccc1C=Cc1ccccc12 587831794 XVIPQOVBMBGSCI-HNNXBMFYSA-N 420.325 5.898 0 1 HKAF O=C(Nc1ccc(Cl)cc1)Nc1cccc(CNc2ncnc3ccccc23)c1 653794101 NRZQNNHPQHJGEG-UHFFFAOYSA-N 403.873 5.539 0 1 HKAF COC(=O)c1ccc(-c2ccccc2[C@H]2NCCc3ccc(F)c(C)c32)cc1Cl 962374542 LDGHARIDYKZKLZ-HSZRJFAPSA-N 409.888 5.476 0 1 HKAF C[C@@]1(c2cc(Br)cc(F)c2F)NCCc2cccc(-c3ccccc3)c21 962670220 VGOFWTDDTOPHJM-QFIPXVFZSA-N 414.293 5.804 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@]3(CCc1ccccc1C)C1CCCCC1 963046235 IQXFFQUUARCJQS-MUUNZHRXSA-N 414.593 6.106 0 1 HKAF O=C(O)CC[C@@]1(c2ccc(F)c(Cl)c2)NCCc2c(Cl)cc(Cl)cc21 963105268 HXRPSJMBYIOJPI-SFHVURJKSA-N 402.680 5.040 0 1 HKAF C[C@H](CCNC(=O)OC(C)(C)C)C[C@]1(C)NCCc2c(Cl)cc(Cl)cc21 963115291 ZZPMXPBJACINPC-XCLFUZPHSA-N 401.378 5.295 0 1 HKAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2ccc(Cl)c(Cl)c2)N1 963178884 FDVGHRQSXJQAOJ-HUUCEWRRSA-N 424.633 5.354 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1ccccc1)c1ccccc1CN1CCCC1 963233593 UTFLGELPCXNRSM-NGQVCNFZSA-N 424.632 6.231 0 1 HKAF COc1ccc(Br)c(CC2CCN(CCc3ccc(Cl)cc3)CC2)c1 1772644999 UOKAAMJAKVREDW-UHFFFAOYSA-N 422.794 5.608 0 1 HKAF Cc1c(C)c2ccc(OC[C@@H]3CCCN(Cc4cccc(Cl)c4)C3)cc2oc1=O 1857548418 RXIMLZPVTPNPCK-LJQANCHMSA-N 411.929 5.354 0 1 HKAF C[C@H]([C@@H]1C=C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CCCCCN1C 2356457113 CYFQJGWMRWJPGL-WYIZAALGSA-N 411.674 6.213 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc(O)c2c1OC[C@H](c1ccc(O)cc1O)C2=O 2356669813 NRWALBDZFNTPSD-LJQANCHMSA-N 424.493 5.103 0 1 HKAF CC(C)[C@H](C)[C@H]1C[C@H]1[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356704503 VYPDNFZRAJIGCV-IOTFCXDQSA-N 414.718 7.571 0 1 HKAF CC[C@H](C)[C@@H](O)[C@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356784062 NBTBEPDPHDQBGN-PUJUMRMLSA-N 420.678 5.410 0 1 HKAF CCN(CC)CCC[C@H](C)N[C]1c2ccc(Cl)cc2Nc2ccc(OC)cc21 2356816868 CMOLSFKMUUVANM-INIZCTEOSA-N 400.974 5.434 0 1 HKAF CC(C)c1ccc([C@@H]2O[C@H](CCc3ccccc3)CC3=C2C(=O)OC(C)(C)O3)cc1 95566502 LXQHQVKJQVDBCJ-QPPBQGQZSA-N 406.522 5.836 0 3 HKAF Cc1nc2ccccc2n1CO[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 5504216 AUKATFAJZHBGOB-HXUWFJFHSA-N 401.297 5.264 0 1 HKAF Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2ccccn2)c1 13487478 MDWOVSWDZAPVSD-UHFFFAOYSA-N 421.909 5.763 0 1 HKAF CCCc1cc(C(=O)c2ccccc2)cc(CCC)c1O[C@@H](C(=O)O)c1ccccc1 13646450 MKPLSEQCTOWGFL-AREMUKBSSA-N 416.517 6.027 0 1 HKAF Clc1cccc(Nc2cncc(-c3cncc(NCCOc4ccccc4)c3)n2)c1 13648421 GNKGBKAHMOQPNP-UHFFFAOYSA-N 417.900 5.427 0 1 HKAF CCCOC(=O)c1c(-c2ccc(F)cc2)nc(CC)c(C(=O)SCC)c1CCC 13672400 ISXBTDUVZNLXGP-UHFFFAOYSA-N 417.546 5.863 0 1 HKAF COc1cc(OC)c2c(c1)[C@H](CCCCCC[C@H]1CC[C@@]3(CC[C@@H](C)O3)O1)OC2=O 14851130 MDVWGBKYBVEXHU-UDABPDOUSA-N 418.530 5.330 0 1 HKAF C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3[C@@H](C)CC(=O)[C@](C)(CCC(=O)O)[C@@H]3CC[C@]12C 27517842 VKFJUKMHHGHLBA-WKYOLEIYSA-N 406.563 5.026 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3C=Cc4cc(C(=O)O)ccc4[C@@H]3CC[C@]12C)C(C)C 28090739 UNTVUXKLSQXPLR-CDLJBUGBSA-N 409.570 5.583 0 1 HKAF Cc1c(OCCCCOc2ccc(CCCO)cc2)ccc(C(=O)CC(C)C)c1O 28523751 AOEHAIPSFRLTOT-UHFFFAOYSA-N 414.542 5.092 0 1 HKAF Oc1ccc([C@@]2(c3ccc(OCc4ccc5ccccc5n4)cc3)C[C@H]3CC[C@@H]2C3)cc1 29040766 WEASJDHFFGWSTR-NQWQBLPGSA-N 421.540 6.626 0 1 HKAF Cc1c(-c2cnc3ccccc3n2)c(C(=O)Nc2ccccc2)nn1-c1ccccc1 29123350 QFLHNSLQCAXYAZ-UHFFFAOYSA-N 405.461 5.043 0 1 HKAF Nc1ccc(/C=C/c2ccc(-c3nc4cc(OCCCF)ccc4s3)cc2)cc1 29129092 IYMKTIUMYQDBSU-NSCUHMNNSA-N 404.510 6.454 0 1 HKAF Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN(C)C)cc2)c2ccc(O)cc12 33969712 KCLKIZFYCJRAPF-UHFFFAOYSA-N 416.521 5.017 0 1 HKAF Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2COC(c2ccccc2)c2ccccc2)N3C)cc1 36270764 PZCLLOMRKKUTII-GCFVYEKYSA-N 411.589 6.368 0 1 HKAF O=C(Nc1ccc(OCCN2CCCC2)cc1)c1ccc2c(c1)CCc1ccccc1-2 40568459 CRMROEJVKCZXPS-UHFFFAOYSA-N 412.533 5.179 0 1 HKAF C[C@H](Nc1nc([C@H](Oc2ccccc2)c2ccccc2)nc2[nH]ncc12)c1ccccc1 45191531 PTMQLMAOXJYUMF-FDDCHVKYSA-N 421.504 5.694 0 1 HKAF CCCCN1CCN(Cc2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)CC1 45193415 YNQVXBWGDDMVQA-UHFFFAOYSA-N 420.384 5.163 0 1 HKAF CCOP(=O)(OCC)[C@H](NC(=S)N[C@@H](C)c1ccccc1)c1ccccc1 59130106 KSMZKXCHQBRXMD-LPHOPBHVSA-N 406.488 5.177 0 1 HKAF Cc1ccc(NC(=O)Nc2ccc(-c3c(C(C)C)sc4ncnc(N)c34)cc2)cc1 63539857 OCRAIYGHHHMVJB-UHFFFAOYSA-N 417.538 6.016 0 1 HKAF CC[C@H](C)Cn1c(CCc2ccccc2)nc2c(NCc3ccccc3C)ncnc21 82180389 IXUWFLJHWGNERS-IBGZPJMESA-N 413.569 5.578 0 1 HKAF CC[C@@H](C)NC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc(F)cc1 82216450 KZBOXLJFKRTRFV-CQSZACIVSA-N 412.896 5.077 0 1 HKAF CCn1c2ccccc2c2c3c(ccc21)NC(=O)CS[C@@H]3c1ccc2c(c1)OCO2 84559373 CLJGGLALHQZLAL-XMMPIXPASA-N 416.502 5.318 0 1 HKAF O=C1Nc2ccccc2/C1=C(/c1nc2ccccc2[nH]1)c1ccc(Cl)cc1Cl 84738774 KUMDZZHPRYLLRP-VXPUYCOJSA-N 406.272 5.781 0 1 HKAF Cc1cccn2c([C@H]3CC(c4ccc(Cl)cc4)=NN3)c(-c3ccc(F)cc3)nc12 95588606 XCWUHRSBNRXVJW-HXUWFJFHSA-N 404.876 5.541 0 1 HKAF S=c1oc(-c2ccc3c(c2)OCCO3)nn1CNc1ccc(Cl)cc1Cl 96935194 RZYRMFDYNDMRIS-UHFFFAOYSA-N 410.282 5.020 0 1 HKAF Clc1ccc(N2[C@@H](c3ccccc3)[C@@]23C(c2ccccc2)=Nc2ccccc23)cc1 103276147 OLKAHVVUDOZSQY-SDLWSTGNSA-N 406.916 6.931 0 1 HKAF CC(C)[C@@H](C)[C@@H](C)C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118924031 KTGGCSVZUGUIFS-BSXMHZEKSA-N 416.734 7.961 0 1 HKAF CC1CCN(Cc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3O)cc2)CC1 141712539 BRBFYYLFSZLTDZ-UHFFFAOYSA-N 400.522 5.543 0 1 HKAF C[C@@H]1C[C@@H](c2ccccc2-c2ccccc2)N(Cc2cccc(-c3ccccc3)c2)C1=O 167073568 VRFHKAPZPRAWKA-MNNSJKJDSA-N 417.552 7.130 0 1 HKAF O=C(OC[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc2ccccc2c1)c1ccccc1 169368775 JTWKFTQCKFYFJH-FHEKGPPRSA-N 409.529 5.563 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)c(C)cc(-c2coc3cc(O)ccc3c2=O)c1O 238758212 SQRWEHOYNAHHBD-LZYBPNLTSA-N 420.505 6.120 0 1 HKAF COC(=O)c1cc(Br)c2[nH]c(-c3c(C)cccc3-c3ccccc3)nc2c1 586878210 DUKQPANMPFPQDM-UHFFFAOYSA-N 421.294 5.754 0 1 HKAF Cc1c(Cc2cnc3c(C)ccc4c3c2-c2ccccc2C4=O)cccc1C(F)(F)F 586991887 BJFJRLXVKKBCLA-UHFFFAOYSA-N 417.430 6.673 0 1 HKAF Fc1cc2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2cc1Cl 587010775 FWIOUSKHHVJPGI-UHFFFAOYSA-N 414.914 7.122 0 1 HKAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc(Br)c(F)c(F)c2[nH]1 587012236 QAZJELUBWDBKTH-UHFFFAOYSA-N 420.282 5.626 0 1 HKAF Cc1ccc(-c2nc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c(C)s2)cc1 587012726 FSRFRMAQPZWKHW-UHFFFAOYSA-N 423.847 6.522 0 1 HKAF Cc1nccc2[nH]c(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)nc12 587018973 SCMHVUSGLAEBKZ-UHFFFAOYSA-N 403.338 6.023 0 1 HKAF Nc1nc(-c2cccc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c2)cs1 587022565 ZFHUZSRRBBCFSO-UHFFFAOYSA-N 405.708 5.352 0 1 HKAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(OCc3ccccc3)cc2[nH]1 587027233 RQOLESFYVJNTEI-UHFFFAOYSA-N 401.491 5.758 0 1 HKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(C)c(C)c(Br)cc2[nH]1 587067047 ZAWDAZYGDGIYJN-UHFFFAOYSA-N 414.734 6.362 0 1 HKAF CC(C)Oc1ccc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 587072682 USROMGVPTKHYNX-CAQXYLJISA-N 415.364 7.023 0 1 HKAF Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cncnc3[nH]2)cc1 587076465 MNTJGGVTDGODFX-PTNGSMBKSA-N 409.880 5.708 0 1 HKAF O=C1CCc2cc3[nH]c(-c4ccc(Oc5ccc(C(F)(F)F)cc5)cc4)nc3cc2N1 587111771 HNBVFZXFWDIIDH-UHFFFAOYSA-N 423.394 5.926 0 1 HKAF O=C(NCc1nc2ccc(SC(F)(F)F)cc2[nH]1)c1cccc(C(F)(F)F)c1 587112367 UHCQXWIQBXPSEG-UHFFFAOYSA-N 419.350 5.124 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@@H]1Cc1c2nc2cccc3c2c1CC3 587216313 ZWZGWOUPROEEMP-NYXUDAKYSA-N 401.594 5.751 0 1 HKAF CC[C@@]1(c2cc(F)c(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331173 ITSYRPHJQDTYOW-REWPJTCUSA-N 416.370 5.613 0 1 HKAF CC(=O)c1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)nc1C 587341293 VXKUAFLKBNRHMM-UKILVPOCSA-N 419.452 5.020 0 1 HKAF C[C@]1(CCCCCCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348042 CACYXIGJSSGQLQ-FYYLOGMGSA-N 400.446 5.074 0 1 HKAF CCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348802 AUIQSFBCJHPTJD-AZGAKELHSA-N 404.481 6.366 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](CC2CCCC2)(c2ccccc2)[C@H]1c1ccc(F)cc1 587350984 FTLKIKNULRLYHK-BDYUSTAISA-N 416.492 6.366 0 1 HKAF CCCc1ccc([C@@]2(CC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587353695 LPAKUEKSQIHTTD-AOYPEHQESA-N 404.481 6.148 0 1 HKAF COc1cccc(-c2cc(-c3cccc(OC(C)C)c3)nc3c2oc2ccccc23)c1 587363218 PDMYMUPWWLTUEA-UHFFFAOYSA-N 409.485 7.111 0 1 HKAF Cc1ccc(SC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587369639 MRASQVYFEIJJJT-VWNXMTODSA-N 408.494 5.750 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1c(F)cccc1O[C@H](C)c1ccccc1)[C@@H](C2)C3=O 587421767 ANYZFVJARYWCSV-FZGXAJRXSA-N 418.464 5.637 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1ccccc1C(=O)O)CC2=O 587466530 LUSOPLSTRFMXSZ-VWLOTQADSA-N 420.436 5.091 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3c(-c4ccccc4)nn(C)c3s1)CC2=O 587495037 MYEQYKZHJWIJLV-HXUWFJFHSA-N 418.518 5.666 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)cc1F 587548096 NDRLGVLAAOURLR-XLIONFOSSA-N 404.315 5.253 0 1 HKAF CC(C)CSc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587612568 JUZLCEGWOAPEKF-QPPBQGQZSA-N 406.503 5.843 0 1 HKAF CCOC(=O)c1c(CNC(=O)OCc2ccccc2)[nH]c2ccc([C@@H](C)CC)cc12 587640596 BJQIUOMAJSRPCO-INIZCTEOSA-N 408.498 5.285 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(OC(F)(F)F)c2)N1 587715448 BWTDFEJOUJWFPW-PWJLMRLQSA-N 422.191 5.250 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)F)c(Cl)c2)N1 587717559 LRYWWTRKCBFAEW-BCTVWOGZSA-N 420.656 5.467 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3)cc2F)N1 587724283 GQBDZQQZPYKCHF-XMHCIUCPSA-N 414.293 6.018 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCSc2ccc(F)cc2)N1 587732352 MASRDLVVRBRMIL-BUXKBTBVSA-N 412.343 5.659 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccco2)N1 587736803 UHFNZZBFXZEJDE-MPBGBICISA-N 404.254 5.146 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN([C@H](C)c3ccccc3)CC2)N1 587766657 HAPHTGWHFMKIIE-JKSUJKDBSA-N 417.366 5.175 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(Br)cc(F)c4[nH]3)c2)cc1O 587785611 CZAYODAHPZMACN-UHFFFAOYSA-N 413.246 5.513 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)c2)cc1O 587786671 NTPHCSYWZQSYID-UHFFFAOYSA-N 423.310 5.990 0 1 HKAF CC(C)[C@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 587804048 QUPGHKLFLVWMOH-LRTDBIEQSA-N 401.323 5.503 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](Oc3ccccc3)C2(C)C)N1 587812077 PFDDBNKFYYZRNC-YIILKADPSA-N 404.323 5.195 0 1 HKAF CC(C)C/C=C(\c1ccccc1)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587821419 UYCJPKBSZCBUSV-KOGNSTDNSA-N 402.351 6.293 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3cccs3)c2)N1 587849959 CFURDCXZTCXOSZ-MPBGBICISA-N 402.332 5.940 0 1 HKAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c2)c1 587933873 XXDSWWHSMFGRTL-UHFFFAOYSA-N 408.457 6.403 0 1 HKAF COc1cccc2cc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4Cl)c3)oc12 621476075 GTBJBNVQKHWZAO-UHFFFAOYSA-N 416.264 5.245 0 1 HKAF Cc1ccc(-c2cc(C(=O)Nc3ccc(Oc4cc[nH]c5nccc4-5)cc3)ncn2)cc1 653732538 VPWQEWYQVVDIHV-UHFFFAOYSA-N 421.460 5.325 0 1 HKAF Cc1ccc2oc(=O)c([C@@H]3c4ccsc4CCN3Cc3ccco3)c(Cl)c2c1 962714130 USKGPJUINMQUBE-NRFANRHFSA-N 411.910 5.557 0 1 HKAF COc1cc(-c2ccccc2)ccc1[C@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962722134 YZWPIXGTZWKYSZ-FQRUVTKNSA-N 419.565 5.954 0 1 HKAF Fc1cc2c(cc1F)[C@@]1(CCC2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962961659 VXLCGMDMACAUQB-JOCHJYFZSA-N 423.425 5.215 0 1 HKAF Cc1cccc(C)c1[C@]1(C2CC2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963189471 WTRAFYZZFHUDSX-GHTZIAJQSA-N 423.862 5.228 0 1 HKAF Cc1cc(-c2nc(-c3ccc(Cl)c(OC(F)F)c3)n3c2CCOCC3)cc(C)n1 1772580101 ZDGAFFPOLREYSF-UHFFFAOYSA-N 419.859 5.056 0 1 HKAF O=C1[C@H](Oc2ccccc2)[C@H](c2ccc(Cl)cc2)N1c1nc2ccccc2s1 1772638918 JDCLCTKJYKZFMJ-VQTJNVASSA-N 406.894 5.485 0 1 HKAF CC(C)=C(C)CC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@@H](O)C[C@H]1C(=O)O3 2356411043 XBLCKYCBDPEWDW-LSMVRAANSA-N 414.630 6.564 0 1 HKAF CC(=CCC[C@@](C)(O)CCCc1ccoc1)CCC[C@H](C)C=C1OC(=O)C(C)=C1O 2356532083 QFBUNOKEKXMSCV-UQBPGWFLSA-N 416.558 6.159 0 1 HKAF C[C@@H](CCCC(C)(C)O)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356584335 BQMSKLCEWBSPPY-DOBVIDEVSA-N 418.662 5.474 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)N(CCc4ccccc4)C3=CC[C@@]21C 2356608938 KJDSEFLYDWGLDK-LQQNFAPKSA-N 417.637 6.802 0 1 HKAF C/C=C(\C)c1cc(O)c(C)c2c1Oc1c(COC)c(O)cc(/C(C)=C/C)c1C(=O)O2 13328016 KVRPOBNNNYEDFU-INOXDZRUSA-N 410.466 5.724 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(NCc2ccccc2)cc1 13553368 LJSALIFSDCTSJV-DCEDVJGZSA-N 408.586 5.392 0 1 HKAF O=C(O)CCCCOc1cccc(-n2cnc(-c3ccccc3)c2-c2ccccc2)c1 13727527 ANZBPHFYLHJBHK-UHFFFAOYSA-N 412.489 5.840 0 1 HKAF Cc1nc2c(OCc3c(Cl)ccc(Cl)c3Cl)cccn2c1Br 13778251 PHMQCZOEFXMLRH-UHFFFAOYSA-N 420.521 5.944 0 1 HKAF O=C1C[C@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O 27085844 UKEQLQYAEAYLCA-SNVBAGLBSA-N 408.668 5.112 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H]1CCCC[C@@H]1O 27519909 UAFONOACSPNASL-RXSRYHHASA-N 401.635 6.552 0 1 HKAF O[C@H](c1cc(-c2ccc(Cl)cc2)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCCN1 27523226 SVTJOSIFLMVFJH-GHTZIAJQSA-N 420.862 5.750 0 1 HKAF O=C(O)c1cccc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 28369711 RRDVGFBNUNMAKI-UHFFFAOYSA-N 420.917 7.013 0 1 HKAF CC(C)(C)c1ccccc1Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)O)cc1 28522881 ARKBUJRGWZYFRA-XLNRJJMWSA-N 415.489 5.632 0 1 HKAF COc1ccc(-c2c(-c3ccc(SC)cc3)nc3sc(C(F)(F)F)nn23)cc1 28975719 SZFPLAXUHZUUEL-UHFFFAOYSA-N 421.469 5.874 0 1 HKAF CN1CCC[C@@H]1CCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12 29205558 OHSGZCNYGVRQEU-OAHLLOKOSA-N 416.356 5.576 0 1 HKAF Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cccc3C(F)(F)F)cn1 29548998 XLUUAIUBHQEQLA-UHFFFAOYSA-N 414.387 5.191 0 1 HKAF Cn1c(-c2cccc(OC(F)(F)F)c2)nnc1C1(c2ccc(Cl)cc2)CCC1 40425311 HZCDXSQWAXTCAH-UHFFFAOYSA-N 407.823 5.504 0 1 HKAF Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1cccc(F)c1)C1CC1 40933935 XYLWKIBFKJRZRI-DEOSSOPVSA-N 411.480 5.504 0 1 HKAF Cc1c(C)c2c(c(C)c1OCC(=O)O)CC[C@](C)(/C=C/C[C@@H](C)CCCC(C)C)O2 45254555 UPDVMJIDNQPDDK-NIRBSDPLSA-N 416.602 6.568 0 1 HKAF CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCC(C)(C)Cc3ccccc3)ccc21 59615509 FWGJDBYDHZBRQT-UHFFFAOYSA-N 419.565 5.070 0 1 HKAF O=C(Nc1ccccc1)NC1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72102837 IESRXEZTNSYEPR-QHCPKHFHSA-N 420.944 5.111 0 1 HKAF Clc1ccccc1-c1nnc2sc(Nc3ccc(Br)cc3)nn12 73200300 NJSIKNDPGNMXBD-UHFFFAOYSA-N 406.696 5.012 0 1 HKAF CC[C@H](C)Nc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccccc2)n1 82163251 RNHXLOJNWAALDQ-INIZCTEOSA-N 416.550 6.153 0 1 HKAF C[C@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccco2)n1 82165435 RRBNISHCKJLVBF-LPHOPBHVSA-N 416.550 6.518 0 1 HKAF Cc1cnc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccccc2C)o1 82177717 ZMAJXXORWRSZKU-UHFFFAOYSA-N 404.901 5.723 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccc(C)o2)nc2c(NCCc3cccc(F)c3)ncnc21 82179614 NUJPOPVMQXFDSI-OAHLLOKOSA-N 407.493 5.235 0 1 HKAF Cc1cc(O)c(C)c2c1CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 85644260 BXFFLLUMZSVWOY-DQCZWYHMSA-N 416.690 8.532 0 1 HKAF biogenic,in-vitro COc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(=O)[C@@H]1CCc2ccccc21 89470103 AIZQSTZVLBDALQ-HXUWFJFHSA-N 412.407 6.174 0 1 HKAF CC[C@H]1CC[C@@](c2cccc(OCOC)c2)(N2CCN(c3ccccc3)CC2)CC1 100809297 GYSQRVWRFNKEEX-HNACLESGSA-N 408.586 5.287 0 1 HKAF CC(=O)OC[C@H]1[C@@H]2CC[C@H]3CC[C@H]1/C(=C/c1ccc(-c4ccccc4)cc1)CN2C3 100950943 KUMJBZOBGCDDHP-UPNUMGHJSA-N 401.550 5.421 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2cccc(Cl)c2)cc1)C3 100951037 FNNDPKKFONPQIL-HFEAVWTHSA-N 421.968 5.684 0 1 HKAF O=C1C2=C(CCCC2)[C@@H](O)N1c1cc(OCc2cccc(Cl)c2)c(Cl)cc1F 103208635 FQQMMBHSFBSGBL-HXUWFJFHSA-N 422.283 5.247 0 1 HKAF COc1cc(N[C@H](C)CCCN)c2ncccc2c1Sc1ccc2ccccc2c1 169317155 WCSWIQZRCXDXSK-QGZVFWFLSA-N 417.578 6.087 0 1 HKAF CCCCC1([C@H](O)/C=C/[C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OCC)CCC1 169321153 DWOHKCABYJQWOX-BTHLHJAVSA-N 406.607 5.763 0 1 HKAF CCC[P@](=O)(Cc1cccc(Nc2cc(-c3cccc(N)c3)ncn2)c1)OCC 169346780 ROMWISXCKBTPPA-GDLZYMKVSA-N 410.458 5.694 0 1 HKAF Cc1ccc2c(c1)N[C@@H](c1c(F)cccc1Cl)[C@@H]1C(=O)CC3(CCCC3)CC1=N2 169722013 RAPQXGOFQFJBAA-GOTSBHOMSA-N 410.920 6.566 0 1 HKAF O=C(C[C@H]1Oc2cc(O)ccc2C=C1c1ccc(O)cc1)c1cccc2ccccc12 299818970 AXHXZBWJEDCVHW-HHHXNRCGSA-N 408.453 5.826 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(Br)ccc4[nH]3)cc2)CC1 586881197 RAJXAOYFVQHZIT-QAQDUYKDSA-N 411.387 7.456 0 1 HKAF CCCCOc1cc2nc(C3(c4ccccc4O)CC3)[nH]c2cc1Br 586897265 XPOYWEKDZAUQHS-UHFFFAOYSA-N 401.304 5.290 0 1 HKAF Fc1cc2[nH]c(COc3ccc(Cl)cc3Br)nc2cc1C(F)(F)F 586977712 QRGRNXWRNZFCPU-UHFFFAOYSA-N 423.591 5.716 0 1 HKAF CCOc1cc(/C=C\c2nc3ccc(CC)cc3[nH]2)cc(Br)c1OC 586978465 TWXBQCCPDIGKCN-CLFYSBASSA-N 401.304 5.466 0 1 HKAF N[C@H](N=O)c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 587012204 UYNXORINTVOEJO-HXUWFJFHSA-N 420.519 6.054 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(Cl)cc3[nH]1)N2 587032968 WQUICCHKFUHXLQ-FBWGLTFQSA-N 404.948 5.343 0 1 HKAF COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3ccccc3[nH]2)cc1OC 587058584 XMOVJSYSTRCWLT-UHFFFAOYSA-N 407.857 5.153 0 1 HKAF COc1cc(Cl)ccc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587066215 JWUDFYMIQKZUEX-UHFFFAOYSA-N 421.600 5.553 0 1 HKAF C[C@H](c1nc2cccc(I)c2[nH]1)c1ccccc1C(F)(F)F 587098242 OZXIIOXAIKHOAF-VIFPVBQESA-N 416.184 5.338 0 1 HKAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(F)c(C)c2[nH]1 587121770 KSVJCJJLGCTRNM-UHFFFAOYSA-N 407.392 6.008 0 1 HKAF Fc1ccc(-c2ccccc2-c2nc3c(F)cnc(Br)c3[nH]2)cc1F 587144765 DWQVWOAUHCCQGP-UHFFFAOYSA-N 404.189 5.472 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1F 587150148 KVIWHPSQCPNYOU-QGZVFWFLSA-N 406.219 5.711 0 1 HKAF Cc1c(Br)cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1C 587153282 XTEGUPGKUNYYFM-OAQYLSRUSA-N 424.317 6.283 0 1 HKAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587195829 OCOSWSFCRKCUAX-JTQLQIEISA-N 401.354 5.818 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCCc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 587331761 PRJDTQDQFAJSOG-NOZRDPDXSA-N 422.883 6.166 0 1 HKAF C[C@]1(c2ccc3c4c(cccc24)CC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352413 JDAIVCNJOXLFDL-IXCJQBJRSA-N 424.471 6.057 0 1 HKAF COc1cccc(-c2cc(/C=C/c3cccc(Cl)c3)nc3c2oc2ccccc23)c1 587358755 UBBQWTKWXIMQAQ-OUKQBFOZSA-N 411.888 7.480 0 1 HKAF CCC(=O)[C@@H](C(=O)OC)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C 587361869 CYAIYSOTTMJWRL-OAQYLSRUSA-N 417.461 5.201 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(Br)cc3)noc1C)O2 587371602 LFSXYJFFNZPBEO-QGZVFWFLSA-N 413.271 5.010 0 1 HKAF O=C1C[C@]2(C[C@@H](c3ccc(F)cc3)Nc3ccccc32)Oc2c1ccc1c2CCCC1 587502158 BSDDGVLAVFIGMH-IGKIAQTJSA-N 413.492 6.122 0 1 HKAF C[C@@H]1C[C@@]2(CCN1C(=O)OCc1ccccc1)CC(=O)c1ccc3c(c1O2)CCCC3 587516902 GDTQKWGGQYAIEY-DWXRJYCRSA-N 419.521 5.091 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1ccco1 587545020 FZXIKZQUFTUOHN-QPPBQGQZSA-N 418.832 5.544 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccccc2)o1 587610681 DPSBSFHJQIQRAD-QPPBQGQZSA-N 416.454 5.839 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3Cl)c(C(=O)c3ccccc3Cl)c2c1 587639713 BZCWAVBABRHHBG-OAHLLOKOSA-N 422.355 7.886 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(F)c2)(C(F)(F)F)N1 587708782 DMWGGPOMOMTSID-ABKXIKBNSA-N 406.192 5.067 0 1 HKAF Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cccc1C(F)(F)F 587710320 FVMVYFVWKFFCSL-HUTHGQBESA-N 402.229 5.539 0 1 HKAF Cc1c(F)ccc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n(C)c12 587728433 SIFMMKZPHJANHR-APBUJDDRSA-N 405.286 5.151 0 1 HKAF CCOc1ccc([C@@]2(C3CC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587801132 IUKBEXVFMWPLFC-LRTDBIEQSA-N 404.323 5.175 0 1 HKAF CCCCCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813180 MWNZKTIEIDJVBW-AOMKIAJQSA-N 404.367 6.336 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2)(c2ccccc2)N1 587815646 OALXYRPSMHHNQA-ZQINLGPMSA-N 422.341 6.079 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2ccccc2cc1O 587862111 FBKKFTWTJXAVTI-UHFFFAOYSA-N 412.367 5.125 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Nc1ccc(OC)cc1 587865636 FAPLEDNUHVOJJS-UHFFFAOYSA-N 405.376 5.056 0 1 HKAF CN(C)c1cccc(Oc2ccc(-c3nc(-c4cccc(Cl)c4)cs3)cc2)c1 587920093 FEOUTKBZSMDQTM-UHFFFAOYSA-N 406.938 6.989 0 1 HKAF CCCCOc1ccc(OCCCC)n1CC1CCN(Cc2ccc(F)cc2)CC1 587947110 SUTPEYVOGWYDMX-UHFFFAOYSA-N 416.581 5.897 0 1 HKAF CCCCOc1cc2nc(/C=C(\CC)c3ccc(C)cc3)[nH]c2cc1Br 587969014 XULNRJJXSKGJIU-FOWTUZBSSA-N 413.359 6.763 0 1 HKAF C[C@]1(c2cc3cc(F)ccc3o2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962647996 VYVSLIBSBKWFKX-YIXXDRMTSA-N 412.508 5.582 0 1 HKAF CC(C)C[C@H](c1ccccc1)[C@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962702686 SMJJOMAGHWTLFX-CDHQVMDDSA-N 409.423 5.314 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](Cc2ccc(F)cc2)(c2cccc(F)c2)N1 962940004 CSCUZULRQWICLZ-LVXARBLLSA-N 402.488 5.857 0 1 HKAF CC(C)c1csc([C@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)n1 963832099 KWUOMIHCBUHJPA-QHCPKHFHSA-N 403.551 5.562 0 1 HKAF Cc1cccc2c1[C@](CC(C)(C)C)(C1CC1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963840523 AMGQKOKBGPMGGD-CLOONOSVSA-N 415.574 5.673 0 1 HKAF COC(=O)/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1 1772611675 NPRSISATMOANBV-JIQZGYDXSA-N 400.518 5.836 0 1 HKAF Nc1oc2c(-c3cc(F)ccc3Cl)nccc2c1Nc1ccc(F)c(Cl)c1 1857764473 GTKJBDIZCDDRSU-UHFFFAOYSA-N 406.219 6.406 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 2356403374 HGGDUZQCHPXQPL-XYFMNOIISA-N 414.674 6.382 0 1 HKAF Clc1cccc(Cc2c(-c3cccc(Cl)c3)nc3c4ccccc4ccn23)c1 95604529 BGKZKEZSTAXBPG-UHFFFAOYSA-N 403.312 7.052 0 3 HKAF Nc1ccc([C@@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1 605625 BMTKBAYXMRYCDD-AREMUKBSSA-N 406.529 5.501 0 1 HKAF CS(=O)(=O)c1ccc(-c2[nH]c3ccc(Cl)cc3c2-c2cccc(Cl)c2)cc1 13477369 FSGCXUHPVWVPFS-UHFFFAOYSA-N 416.329 6.212 0 1 HKAF C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@H]1C2=CCC[C@@H]1c1ccccn1 13651631 OEHUIPPGCFENGR-KHVXQDHOSA-N 411.524 6.266 0 1 HKAF CCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](CC)c1ccccc1 13795660 RBDFPECNPXDUQF-RUZDIDTESA-N 422.572 7.126 0 1 HKAF COc1ccccc1-c1ccc2c(c1)C([C@@H](C)OCCC1CCCCC1)=CC(C)(C)N2 14968862 ZWZZCNSUUOQZFI-HXUWFJFHSA-N 419.609 7.325 0 1 HKAF Fc1ccc(F)c(CO[C@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 27548370 PKFHCOCRXHWTGR-SXOMAYOGSA-N 419.515 5.776 0 1 HKAF CCOC(=O)Nc1nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccc2s1 28459861 RTIRBRSDAKWWNI-UHFFFAOYSA-N 410.282 5.424 0 1 HKAF CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(CN2CCOCC2)c1 28822169 QDAVQSPQPFSTKZ-UHFFFAOYSA-N 407.642 7.051 0 1 HKAF CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(O)c1 28825250 UBCXSCRZLCQYPN-UHFFFAOYSA-N 423.900 5.243 0 1 HKAF C[C@@H](CO)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34651388 NUHIVWGZNPMOCV-MZVWGMDXSA-N 418.662 5.332 0 1 HKAF CC(C)=CCC/C(C)=C/CC[C@@]1(C)OC(=O)[C@H](C(=O)c2ccc(O)cc2O)[C@H]1C 39162689 PUFZTKZBPIVBQR-XMFIZORUSA-N 400.515 5.321 0 1 HKAF CCC(=O)c1cc(COc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1 40956061 PJFPWSFYLYAYAA-UHFFFAOYSA-N 418.293 5.432 0 1 HKAF CCCCOc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)cc3Cl)cc2c1 43153519 KAEUWGJEROCSNU-UHFFFAOYSA-N 413.901 5.449 0 1 HKAF Cc1c(C(=O)NCCC(C)(C)C)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1 66251782 HAEKROWHXRTASV-UHFFFAOYSA-N 419.356 5.444 0 1 HKAF CC[C@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCc3cccs3)ncnc21 82190033 JJWWFEKJERXBMG-HNNXBMFYSA-N 407.543 5.222 0 1 HKAF CCN1CC2=C(N=C3SC=C(C)N3[C@H]2c2cccs2)/C(=C/c2cccs2)C1 102929226 XKVUZVJMXAGNDQ-XMUSRXTASA-N 411.621 5.804 0 1 HKAF Cc1cc(NCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)on1 145501905 QKQPZZYKRBKVHC-HXUWFJFHSA-N 419.506 5.910 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 169323623 DXSCVNXGNJVZAB-IXYOQLSYSA-N 412.618 5.013 0 1 HKAF Cc1cc(F)cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c1 204534202 KEVFHNIGURCNTA-UHFFFAOYSA-N 406.413 5.090 0 1 HKAF Cc1cc2c(cc1-c1ccc(NCc3c(F)ccc(F)c3F)nc1)OC(F)(F)O2 207721111 PDFKQGIVAGQNLV-UHFFFAOYSA-N 408.326 5.408 0 1 HKAF CCCCOc1cc2nc(CCc3cc4ccccc4o3)[nH]c2cc1Br 586903642 KNXSTJDSBWBJSB-UHFFFAOYSA-N 413.315 6.036 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC[C@@H](c1ccc(Cl)cc1)C4)-c1ccccc1C2=O 586993746 QSRTZEVVDICSEN-QGZVFWFLSA-N 409.916 6.681 0 1 HKAF COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c2ccccc12 587096849 IAPLVJLEUJIZQK-UHFFFAOYSA-N 401.465 6.583 0 1 HKAF FC1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CCCCC1 587131431 HKVBOYAITSIKST-UHFFFAOYSA-N 403.295 6.033 0 1 HKAF Fc1ccc(/C=C(\c2nc3cc(Br)cnc3[nH]2)c2cccs2)cc1 587164064 NSMXHOWXLFKSCN-ZSOIEALJSA-N 400.276 5.510 0 1 HKAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587164131 WWIUBFOUOUCUBT-UHFFFAOYSA-N 402.322 5.758 0 1 HKAF CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587241817 KEGOSTBMDYGDHB-UHFFFAOYSA-N 401.535 6.366 0 1 HKAF CC(C)(C)C(=O)Nc1cccc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 587242648 XZAPEMSBDQFPHJ-UHFFFAOYSA-N 407.699 5.025 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 587333506 STNWLPIHENTSQL-XRODADMRSA-N 422.883 6.250 0 1 HKAF CC[C@]1(c2c(F)cc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339315 YSCQZXZCHQSVOL-OFNKIYASSA-N 416.370 5.613 0 1 HKAF C[C@]1(c2ccc3c(c2)CCCN3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350143 RGZIPIBHSMCLEY-ILBGXUMGSA-N 403.453 5.164 0 1 HKAF CCO[C@H](C)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587352004 VTZBIOWCFCFUFB-PNISEAIOSA-N 420.480 5.903 0 1 HKAF O=C1c2ccc(O)cc2OC2(c3ccccc3Oc3ccccc32)[C@H]1c1ccc(F)cc1 587356107 IFRKOOOFBDQBJL-VWLOTQADSA-N 424.427 5.940 0 1 HKAF CCOc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587419243 DINQWKGIFZCPBY-PXDATVDWSA-N 420.892 5.439 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3c(C)cc(Br)cc13)CC2=O 587461683 XXEAFWVIDRWVLD-IBGZPJMESA-N 414.299 5.603 0 1 HKAF O=C1C[C@@H](c2cc(Cl)c(O)c(Br)c2)Oc2c1ccc1c2CCCC1 587500681 UNXSTZHPDSOWBE-KRWDZBQOSA-N 407.691 5.393 0 1 HKAF Cc1ccc(-c2nc3ccc(C)cn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587515248 MNUUSQGMEBIHJY-DEOSSOPVSA-N 422.528 6.203 0 1 HKAF CCOC(=O)C[C@]1(Cc2cc(C)cc(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587521289 CHCOCVRRQAANOH-SANMLTNESA-N 406.522 5.082 0 1 HKAF CC1([C@]2(CCc3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)CCCCC1 587524629 PIAKDTLSTUPJHT-NDEPHWFRSA-N 402.578 6.873 0 1 HKAF O=C1C[C@](c2ccco2)(c2coc3ccc(O)cc23)Oc2c1ccc1c2CCCC1 587529395 BGMMZYQBHHJFAR-RUZDIDTESA-N 400.430 5.519 0 1 HKAF Cc1cccc(C)c1-n1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587574580 BRHDJDYXPSZAHX-ATIYNZHBSA-N 411.457 5.503 0 1 HKAF CC[C@H](C)Oc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC 587592242 GDHIVAPEHSXBMU-JCVZSFDNSA-N 420.461 5.281 0 1 HKAF CCCCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC 587596324 NJUBESDNZNDQDM-WIOPSUGQSA-N 420.461 5.283 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C1CCCCC1 587604603 XHLIDBMMQUTHGC-OZXSUGGESA-N 400.474 5.830 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccc(Cl)c(Cl)c2)N1 587700596 ZLBBOBPOMSITHQ-HWPZZCPQSA-N 417.149 6.103 0 1 HKAF CC(C)[C@]1(c2ccc(Cl)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587724157 DZXDIUJWDRKHGQ-NSPYISDASA-N 414.721 5.815 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccccc2F)N1 587730694 XNRZYGSYKWIYAP-MPBGBICISA-N 403.270 5.142 0 1 HKAF Cc1ccccc1-c1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 587851760 JIIWGMHLYOPBNN-CWTRNNRKSA-N 417.347 5.644 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2sc2ccccc32)N1 587857626 LZFAFLFTLPIMGY-GTJPDFRWSA-N 416.359 5.917 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1CCO[C@@H]1C(C)(C)C 587865258 ZDSBKYFTJYZLSB-YJBOKZPZSA-N 410.436 5.059 0 1 HKAF CCOC(=O)c1c(CSc2c(C)cc(C)cc2C)[nH]c2c1cc(O)c1ccccc12 653705999 JWESPVQKQQXJKC-UHFFFAOYSA-N 419.546 6.421 0 1 HKAF CCOc1ccccc1[C@]1(CCCCC(=O)O)N[C@H](CC)Cc2c1[nH]c1ccccc21 962950458 NGFHXMZMZJXPBB-DWXRJYCRSA-N 420.553 5.380 0 1 HKAF Cc1sc2c(c1C)CCN[C@]2(c1ccccc1)c1cccc(CN2CCCC2)c1 963019423 HEUHNEMYEKDKOD-AREMUKBSSA-N 402.607 5.398 0 1 HKAF C[C@@]1(c2cccc(-c3ccc(C(=O)O)c(F)c3)c2)c2c(F)cccc2C[C@@H]2CCCN21 963098474 HAFCOZIOTVRVPM-RXFWQSSRSA-N 419.471 5.614 0 1 HKAF Cc1n(Cc2ccc3ccccc3c2)c2ccccc2[n+]1Cc1ccc2ccccc2c1 1772621557 YKUJXVDTZOENMP-UHFFFAOYSA-N 413.544 6.640 0 1 HKAF CC(C)c1ccc(NC(=O)c2cccc(N3CCc4c(cnc5ccccc45)C3)c2)cc1 1772624789 QSTUMQZLRRHDRE-UHFFFAOYSA-N 421.544 6.173 0 1 HKAF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@H]1CCCCCCC(=O)NCc1ccco1 2356732767 VPMDEJHHEPSXQO-GIWBLDEGSA-N 417.590 5.329 0 1 HKAF COc1ccc(-c2noc(-c3ccccc3)c2C(=O)NCCc2ccccc2F)cc1 774285 PTTYMPLHEDIAHO-UHFFFAOYSA-N 416.452 5.129 0 1 HKAF CCCCN(CCCC)CCCOc1ccc(-c2nc3c(C)cccn3c2C)cc1 1533187 JGTFKZYSJZHMFL-UHFFFAOYSA-N 407.602 6.289 0 1 HKAF O=C(O)C1=C(c2ccc(Cl)cc2)c2ccccc2O[C@H]1c1ccc2c(c1)OCO2 13473358 OFDRFALECLRCCQ-QFIPXVFZSA-N 406.821 5.089 0 1 HKAF C[C@]12CC=C3[C@H](CCC4=CC(=O)CC[C@@]43CCSc3ccccc3)[C@@H]1CCC2=O 14947042 CVDBWXQIMAZHCH-FIKUDORNSA-N 406.591 6.170 0 1 HKAF CCO[P@@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCCCC1=O 26280310 QXQJMDBRPLNYHP-MHZLTWQESA-N 414.467 5.705 0 1 HKAF CCCCC/C=C/C/C=C/C/C=C/CCCCCOC(=O)c1c(O)oc(CO)c1O 26945980 XUBOZZCSETXRNM-YHTMAJSVSA-N 420.546 5.929 0 1 HKAF CC/C(=C(/c1ccccc1)c1ccc(OC(C)=O)c(OC(C)=O)c1)c1ccccc1 28765953 TUCKXLVHOFDDFI-WNAAXNPUSA-N 400.474 5.906 0 1 HKAF CCOC(=O)CCCCCCn1c(CC)nc(-c2ccccc2)c1-c1ccccc1 28821615 BAMAEDLXPIBVOC-UHFFFAOYSA-N 404.554 6.293 0 1 HKAF C[C@]1(C[C@@](O)(CNc2cccc3ncccc23)C(F)(F)F)CCCc2ccccc21 28826284 IDXIGNMGABVLIG-DHIUTWEWSA-N 414.471 5.624 0 1 HKAF CCOC(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 39242761 XRVPSWACTJWXCY-NRFANRHFSA-N 417.288 6.469 0 1 HKAF O=C(O)c1ccc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccccc2)cc1 40379662 MDFARVSTAXOUJU-UHFFFAOYSA-N 414.888 6.951 0 1 HKAF CCOP(=O)(OCC)[C@@H](NC(=S)N[C@H](C)c1ccccc1)c1ccccc1 59130111 KSMZKXCHQBRXMD-VQIMIIECSA-N 406.488 5.177 0 1 HKAF CCCC[C@@H](CC)OC(=O)[C@H]1CCC[C@H](NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 59894604 DHMWTPQCLPNDHA-AGIFOFLYSA-N 418.622 5.325 0 1 HKAF O=C(O)c1cc(-c2ccccc2)c2ccc(OCc3c(Cl)cccc3Cl)cc2c1 71329395 OSHNOVRMESSXNM-UHFFFAOYSA-N 423.295 7.091 0 1 HKAF Fc1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2Cl)cc1F 85679229 FJDVLQUAICICGM-UHFFFAOYSA-N 409.867 6.142 0 1 HKAF Cc1ccccc1-n1ncc(C(=O)NCC2CC2)c1-c1ccc(-c2ccccc2)cc1 96142777 SDHHRQMCSLOMMQ-UHFFFAOYSA-N 407.517 5.655 0 1 HKAF CC1=C(c2ccc(-c3ccccc3)cc2)C(=O)N(C(C)(C)c2nc3ccccc3s2)C1 103181072 NJILAMRXIRXEBW-UHFFFAOYSA-N 424.569 6.514 0 1 HKAF O=C(O)/C=C/c1ccc(/C(=C(\c2ccccc2)C(F)F)c2ccc3[nH]ncc3c2)cc1 114546319 QXJXGYLHKGOHQO-QQEJTYDVSA-N 416.427 5.885 0 1 HKAF CCOC(=O)[C@](C)(Cc1ccccc1)c1ccnc2c(-c3cccc(Cl)c3)cnn12 115655935 AANQFGKCUNPFMY-XMMPIXPASA-N 419.912 5.113 0 1 HKAF CC1(C)NC[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(-c3ccc4ncnn4c3)cc21 139647692 JDEHEODNVULATB-GOSISDBHSA-N 423.347 5.673 0 1 HKAF C[C@H](c1ccc(F)cc1)N(Cc1cccc(C(=O)O)c1)C(=O)C1Cc2ccccc2C1 149942596 WYPIGEDMZXBYSD-QGZVFWFLSA-N 417.480 5.029 0 1 HKAF O=C(Nc1cccc2cccnc12)c1ccc(-n2c(O)c3c(c2O)[C@@H]2CC[C@H]3C2)cc1 169722004 YSJJBPXHIJYADQ-CALCHBBNSA-N 411.461 5.054 0 1 HKAF CC[C@H](C)CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@H]1C[C@](O)(CO)[C@H]3CC[C@]12C3 238771896 FDSLMCIQCBYWLS-AGYDQPJJSA-N 420.634 5.102 0 1 HKAF CC(C)=C[C@H]1Oc2ccccc2-c2oc3c4c(cc(O)c3c(=O)c21)OC(C)(C)C=C4 238782163 DAYVKEVMSODOPS-LJQANCHMSA-N 402.446 5.750 0 1 HKAF CC(C)[S@](=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253632428 CPMYQFUFQVVJNP-QTCCVKBYSA-N 420.703 6.110 0 1 HKAF CC1=CC[C@@H](C(C)C)[C@]12CC[C@]1(C)[C@@H]3CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@@]21C 255279073 WYTLLMBHUGAQFP-KZXGMOJPSA-N 410.730 9.054 0 1 HKAF COC(=O)[C@@H](NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21)C(C)C 299820806 CYKNEDWSKZCCDY-USXZWKKNSA-N 413.602 5.134 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4[C@H](C)[C@H](O)CC[C@@]4(C)C3=CC[C@@]12C 503932933 ORLULZQEXHRVDY-OCXYCRJCSA-N 412.702 7.945 0 1 HKAF biogenic Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 586879609 UTFNWNJVFSOFND-UHFFFAOYSA-N 412.386 6.236 0 1 HKAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 586892851 XKZNZVXEBSRUAD-JLTOFOAXSA-N 417.347 5.506 0 1 HKAF COC(=O)c1ccc(Oc2ccc3[nH]c(-c4ccc(-c5ccc(C)o5)cc4)nc3c2)cc1 586903730 UBEFJFJLIOABGM-UHFFFAOYSA-N 424.456 6.377 0 1 HKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(Cl)cc(F)c2[nH]1 586981431 CLPGEFUKOCCHNU-CYBMUJFWSA-N 409.730 6.490 0 1 HKAF COc1cccc(-n2cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cn2)c1 586987906 VBQMDTYNZZOFAF-UHFFFAOYSA-N 419.440 5.013 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc4c(c3)Cc3ccccc3-4)nc3ccc(O)c1c23 586992494 XFIKCSZVURFFJS-UHFFFAOYSA-N 411.460 6.390 0 1 HKAF Cc1ccc2c3c(c(Cc4ccc(C(F)(F)F)cc4)cnc13)-c1ccccc1C2=O 586993189 MJDWOIIIXYBDPD-UHFFFAOYSA-N 403.403 6.364 0 1 HKAF Cc1cnc2[nH]c(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)nc2c1 587018520 FTHHDMABMYQLEU-UHFFFAOYSA-N 403.338 6.023 0 1 HKAF N[C@@H](N=O)c1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 587041191 WZHGRKJYHNIDJA-QFIPXVFZSA-N 401.495 5.132 0 1 HKAF Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 587051867 UWONFWDKJWRWQZ-BDAKNGLRSA-N 416.533 6.557 0 1 HKAF O[C@@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccccc1Cl 587059585 SLLOJPMWVJNIPG-CYBMUJFWSA-N 405.601 5.079 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ncc(F)cc3Br)nc3cccc1c23 587104770 VXCFTPMDQVSYKW-UHFFFAOYSA-N 405.226 5.410 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCc3cccc(Cl)c32)[C@H]1c1ccc(F)cc1 587331413 PNEUNCHKUNEAIN-UPVQGACJSA-N 408.856 5.775 0 1 HKAF COc1cccc(-c2cc([C@@H]3C[C@H]3c3ccccc3C)nc3c2oc2ccccc23)c1 587364463 ANICXLASCLSQQD-BJKOFHAPSA-N 405.497 7.236 0 1 HKAF COc1cccc(-c2cc(Cc3ccc(C(C)C)cc3)nc3c2oc2ccccc23)c1 587365333 JOCULBJOMVASKU-UHFFFAOYSA-N 407.513 7.371 0 1 HKAF Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)sc2ccccc12 587374070 NSVQPICFIVPMRE-RDGATRHJSA-N 418.489 6.329 0 1 HKAF C[C@@]1(c2cc3c(s2)CCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587374704 PRIMULBHEAULFL-VWNXMTODSA-N 408.494 5.746 0 1 HKAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccccc1 587400152 OJOGOZGVTWTXQB-HSZRJFAPSA-N 403.478 5.261 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc(Cl)c4Cl)s1)[C@@H](C2)C3=O 587450912 LZUBILVMAJXERH-ZSEKCTLFSA-N 417.313 6.219 0 1 HKAF COc1ccc(OC)c2nc(Cl)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc12 587497104 FMWHCRZKUYDVJH-NRFANRHFSA-N 423.896 5.491 0 1 HKAF O=C1C[C@H](c2cc(Cl)cc(OCc3ccccc3)c2)Oc2c1ccc1c2CCCC1 587502344 QTAVERRANZFUMS-RUZDIDTESA-N 418.920 6.504 0 1 HKAF CCOC(=O)C[C@@]1(c2ccc3c(c2)CCCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587523627 LKYCYEOTDUTRRG-HHHXNRCGSA-N 418.533 5.258 0 1 HKAF CCSc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1Cl 587532804 ONWPYHDIYCZPCC-QFIPXVFZSA-N 421.389 6.865 0 1 HKAF Cc1cc(OC(F)(F)F)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557427 RNQAAFQTSBZTHT-RXVVDRJESA-N 416.351 5.302 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1F)C1CCCC1 587568134 LDCXWXSKEQVHLE-WIOPSUGQSA-N 404.437 5.579 0 1 HKAF CC(C)(C)c1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622096 XEPYMRRYDIQSLB-UHFFFAOYSA-N 402.723 6.425 0 1 HKAF O=C(c1cc2c(F)cccc2s1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658938 VMMLGULELWMLDE-UHFFFAOYSA-N 418.424 5.245 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCNc3cc(Cl)ccc32)N1 587692188 ATJSMUYTPHNRFH-WYRIXSBYSA-N 409.730 5.225 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(O)c(Cl)c2)N1 587692797 LQNFXIZDCUCLHO-ZIDLFYJRSA-N 405.094 5.224 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(C(C)(C)C)N1 587702275 OXJSJXCHEASHCZ-FKIZINRSSA-N 410.758 6.066 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(C(F)(F)Cl)N1 587704603 JUTFUYYXIKOMBA-GTNSWQLSSA-N 418.684 5.392 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(F)cc2Cl)N1 587728992 UMIOPJMPYXZMJB-XTZNXHDOSA-N 400.694 5.373 0 1 HKAF COc1ccc(-c2cccc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2)cc1O 587786106 HYVDORPEADUXBQ-UHFFFAOYSA-N 400.356 5.510 0 1 HKAF CCCOc1c(C)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587795079 QGJUWSRTFRMFSA-VBKZILBWSA-N 406.339 5.617 0 1 HKAF CCCCC/C(=C/c1ccccc1)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587817662 DJMPNMOQCPQSKG-HHEBVCHCSA-N 416.378 6.827 0 1 HKAF Cc1ccc(-c2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587820100 OVDFOXBANYWPIQ-WNSKOXEYSA-N 410.330 6.187 0 1 HKAF CCCCC/C(=C\c1ccccc1)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587821573 VWMIMKRKFJTCHO-YEYWCJFYSA-N 416.378 6.827 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cc3ccccc3)s2)N1 587847918 MUDCXQKNJXXVFM-ASSNKEHSSA-N 416.359 5.864 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2-c2ccsc2)N1 587852539 HBNOPXBUAYFOOT-NSPYISDASA-N 403.320 5.335 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3cccs3)cc2)N1 587852874 NVOYZJJGFQPYOT-ASSNKEHSSA-N 416.359 6.114 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1ccc(C)cc1 587867143 UDASQJXPTAGPKM-UHFFFAOYSA-N 405.445 5.521 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2ccc(Cl)cc2s1 587873288 XIMCRDDGUWBTQM-UHFFFAOYSA-N 400.862 5.645 0 1 HKAF Fc1ccc2c(c1)-c1cc(n(-c3nnc(-c4ccccc4)n3Cc3ccccc3)n1)O2 587875531 PWYCLQJNTJDBAJ-UHFFFAOYSA-N 409.424 5.091 0 1 HKAF COc1cc(C)ccc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587925344 MREMZIZBLOKLFI-UHFFFAOYSA-N 401.182 5.208 0 1 HKAF CCCC/C=C\c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587965814 PMTZQVIFECOSDE-UITAMQMPSA-N 423.460 5.586 0 1 HKAF C[C@H](CCCNCC12CC3CC(CC(C3)C1)C2)Nc1ccnc2cc(Cl)ccc12 653715980 FMCNDCMLSNXGCP-KNEUKCCGSA-N 412.021 6.275 0 1 HKAF Cc1ccc(CNc2nc(Oc3ccc(Cl)c(Cl)c3)nc3ccc(F)cc23)o1 653765583 GAGNVQHXWCGWGI-UHFFFAOYSA-N 418.255 6.382 0 1 HKAF CS(=O)(=O)c1ccc(/C(=C/C2CCCC2)c2cc3cccnc3[nH]2)cc1Cl 653808392 NNBNDCTUZWVYRP-BOPFTXTBSA-N 400.931 5.242 0 1 HKAF COc1cccc(CC[C@@]2(c3ccc(C)c(C)c3)NCCc3ccc(F)c(C)c32)c1 962378838 UTNWFZDBORVPBE-MHZLTWQESA-N 403.541 5.782 0 1 HKAF CCCCOc1cc(F)c([C@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)c(F)c1 962615979 AULGRHBBXNZJGW-RCDICMHDSA-N 405.485 5.127 0 1 HKAF CSc1ccccc1CC[C@@]1(c2ccc(C)cc2C)NCCc2cc(Cl)ccc21 963390890 ODTMZCFNHKUJPM-SANMLTNESA-N 422.037 6.701 0 1 HKAF Cc1cc(-c2nc(-c3ccc(C(F)(F)F)c(F)c3)n3c2CCO[C@H](C)C3)ccn1 1772607761 HYWYYRIUKUWQLA-CYBMUJFWSA-N 405.395 5.040 0 1 HKAF CCCSc1nc(Nc2ccc(OC)cc2)c2nc(Nc3ccccc3)sc2n1 1772646348 ZUHRNVIXRBNZAK-UHFFFAOYSA-N 423.567 6.084 0 1 HKAF O=C(Nc1ccc(Oc2cncc(C(F)(F)F)c2)cc1)c1c(F)cccc1Cl 1857557520 SCGAUHOBRHOBHL-UHFFFAOYSA-N 410.754 5.938 0 1 HKAF CC1=C[C@H](CNCc2ncc[nH]2)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(Cl)cc2[nH]1 2356288099 WDWVCDOOUNQTCJ-SCTDSRPQSA-N 411.981 5.126 0 1 HKAF Cc1c2c(cc3c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c1ccc(-c2sc3ccccc3c2/C=C/c2ccc(OC)c(OC)c2)cc1 61969039 OIKVKQXGCDLERC-RIYZIHGNSA-N 402.515 6.765 0 3 HKAF C[C@@H](C(=O)Nc1ncc(SCc2ncc(C(C)(C)C)o2)s1)c1ccccc1 13490944 FIZSPBCJAWUURL-CYBMUJFWSA-N 401.557 5.463 0 1 HKAF CN(C)C(=O)Cn1c(-c2ccccc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21 13609942 JRFGDLNYJGJONH-UHFFFAOYSA-N 404.510 5.142 0 1 HKAF CSc1ccc(Cn2c(CC(C)(C)CC(=O)O)nc3cc(Cl)ccc32)cc1 13826785 QJIJUBVURNNNGU-UHFFFAOYSA-N 402.947 5.503 0 1 HKAF CN(C)c1ccc2cccc(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2n1 14974111 OVQYVMZSOOXJSB-UHFFFAOYSA-N 410.399 5.569 0 1 HKAF O=C(NC[C@@H]1CCC[C@H]1[C@H](O)CCc1ccccc1)c1cc(Cl)cc(Cl)c1 28571432 UOIDISPSJISPQH-ZLGUVYLKSA-N 406.353 5.133 0 1 HKAF COC(=O)c1ccccc1-c1ccc2c(c1)CN(C(C)=O)c1ccc(Cl)cc1CC2 28572203 RRZABZMIBDVQLJ-UHFFFAOYSA-N 419.908 5.445 0 1 HKAF COc1ccc(CCC(=O)O)cc1-c1cc2c(cc1C)C(C)(C)CC(=O)N2C(C)C 28952263 QXMUPBOLDWJSOO-UHFFFAOYSA-N 409.526 5.111 0 1 HKAF Cc1ccccc1-n1c(/C=C/c2ccccn2)nc2c(Cl)cc(Cl)cc2c1=O 29479668 YOMVTRPZCWDXIL-MDZDMXLPSA-N 408.288 5.566 0 1 HKAF Cc1ccc(NC(=O)c2ccnc(Cl)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1 40402340 AKNCGPVDTHDMNT-UHFFFAOYSA-N 419.912 5.103 0 1 HKAF O=C(O)c1ccccc1-c1ccc(CCc2ncc(Cc3cccc(F)c3F)[nH]2)cc1 49035948 WLGFSKKTSSNIGE-UHFFFAOYSA-N 418.443 5.429 0 1 HKAF O=C(O)c1ccccc1-c1ccc(CCc2ncc(CCC3CCCCC3)[nH]2)cc1 49089528 JBKJXYLMDCJPHL-UHFFFAOYSA-N 402.538 6.073 0 1 HKAF O=C1C(C2=Nc3ccccc3N[C@H](c3ccc([N+](=O)[O-])cc3)C2)=C(O)c2ccccc21 68583025 VQCQWZKWGQUPIL-FQEVSTJZSA-N 411.417 5.390 0 1 HKAF biogenic FC(F)(F)c1cccc(Oc2nc(C(Cl)(Cl)Cl)nc3ccccc23)c1 72179280 GJWNXVWXDLNYMJ-UHFFFAOYSA-N 407.606 6.268 0 1 HKAF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccccc3)n2)C1 82132990 NSTOFVYHEMYNSS-OALUTQOASA-N 406.574 5.031 0 1 HKAF Fc1ccc(-c2nc(NC3CCCC3)ncc2-c2ncc(-c3ccccc3)s2)cc1 82164074 SQFXGWRGSVDOTE-UHFFFAOYSA-N 416.525 6.428 0 1 HKAF COCCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2cccc(C)c2)n1 82167425 OTKDXNKMNQUUIX-UHFFFAOYSA-N 414.509 5.531 0 1 HKAF Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCC(=O)O)CC2 85588792 IITULCXNOMOXAH-YYULODDRSA-N 404.591 6.570 0 1 HKAF endogenous,in-man CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)O[C@H]3CC[C@@H](C)CC3)CN(C)[C@@H]1C2 101103449 PRLKDWJIMFKGSZ-RWBIRNLKSA-N 408.586 5.304 0 1 HKAF O=C(CSC(c1ccc(F)cc1)c1ccc(F)cc1)NCCCc1ccccc1 103246782 YPEAZIZEEHIOJQ-UHFFFAOYSA-N 411.517 5.536 0 1 HKAF COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2c[nH]c3ccccc23)C[C@@H]1C 104098581 JOYFTIBCCGDFHM-NJDIQBRYSA-N 401.466 5.048 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@@]43C)[C@@H]1CCC2=O 169314955 FXJBFSBELBAUFO-PXBNHWCRSA-N 413.565 5.409 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc(Cl)cc2)n1 205826823 JZBHLGSHOCEGCN-HNNXBMFYSA-N 403.917 5.679 0 1 HKAF C[C@@H](CCc1ccc(F)cc1)[C@@H](C)c1cc(O)c2c3c(c(=O)oc2c1)CC[C@@H](C)C3 221709084 LEEMUPFGEQLFDT-IXDOHACOSA-N 408.513 6.135 0 1 HKAF COc1cccc(F)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc2oc3ccccc3c2c1 223038654 YLZAYQGWWQGQAW-OALUTQOASA-N 407.416 5.545 0 1 HKAF CO[C@H]1CCN(Cc2c(C3CC3)cc(C)c3[nH]ccc23)[C@H](c2ccc(C(=O)O)cc2)C1 223258131 CKPFEBYAYLCXDR-RDPSFJRHSA-N 418.537 5.404 0 1 HKAF CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)N[C@H](C)CO)c1 299824747 BTLAIEFBUBEOTH-OAQYLSRUSA-N 421.622 5.512 0 1 HKAF CCOCc1ccc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)o1 586902238 CSHJLXCSUGWSLM-UHFFFAOYSA-N 405.170 5.021 0 1 HKAF CCCCc1cc(=O)oc2cc(OCc3nc4c(Cl)c(Cl)cnc4[nH]3)ccc12 586918465 LJRGLFAXUGBAIZ-UHFFFAOYSA-N 418.280 5.293 0 1 HKAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c(C)c(C)ccc4[nH]3)cc2)c1C 586946712 DFLVROYXCRLPCN-UHFFFAOYSA-N 405.523 5.264 0 1 HKAF CCOc1cc(/C=C/c2nc3ccc(F)c(F)c3[nH]2)cc(Br)c1OC 586978106 LLUUARYNBNBRHP-QPJJXVBHSA-N 409.230 5.181 0 1 HKAF Cc1ccc(-c2nc(-c3nc4c(F)cnc(Br)c4[nH]3)c(C)s2)cc1 587013640 VPHGEFMFNDQFKX-UHFFFAOYSA-N 403.280 5.267 0 1 HKAF FC(F)(F)c1cccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c12 587014597 UQDLOWLHNYXESI-UHFFFAOYSA-N 414.239 6.679 0 1 HKAF Fc1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1Br 587050834 QXLMAHAETSVWGO-HTQZYQBOSA-N 400.078 6.042 0 1 HKAF N=c1[nH]c2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc-2c(Cl)[nH]1 587069567 KVMGZDKDHYMXTL-NTCAYCPXSA-N 410.308 5.197 0 1 HKAF Clc1ccc(-c2cnccc2-c2nc3c(OCc4ccccc4)cccc3[nH]2)cc1 587077141 ROWDPUWYAILBJM-UHFFFAOYSA-N 411.892 6.524 0 1 HKAF CSc1ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2c1 587092650 YFKUBRFWLAMSSQ-UHFFFAOYSA-N 407.339 5.307 0 1 HKAF Cc1ccc2c3c(c(C4CN(C(=O)OC(C)(C)C)C4)cnc13)-c1ccccc1C2=O 587098207 SCHMXOPYQXBPQO-UHFFFAOYSA-N 400.478 5.089 0 1 HKAF Cc1ccc2c3c(cc([C@H]4CCCN4C(=O)OC(C)(C)C)nc13)-c1ccccc1C2=O 587099049 YZEKOTGKCYLAOY-OAQYLSRUSA-N 414.505 5.827 0 1 HKAF CCOc1cc(/C=C/c2nc3cc(C)cc(Br)c3[nH]2)ccc1OC(F)F 587131383 ZKRUSRIIROICTL-FNORWQNLSA-N 423.257 5.804 0 1 HKAF O=C(O)c1ccc(-c2cc(-c3nc4ccc5c(c4[nH]3)CCCC5)ccc2F)cc1F 587138716 RRFQKYWFMJMOJO-UHFFFAOYSA-N 404.416 5.752 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1F 587149353 GKKAMUUAUNPNPE-MRXNPFEDSA-N 406.219 5.711 0 1 HKAF C[C@@H](Oc1ccc(F)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587168042 DGMIKJRZVKTPCK-MRVPVSSYSA-N 419.172 5.503 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(Br)cc2[nH]1 587191508 MATODHXXOLZCRA-QGZVFWFLSA-N 416.319 5.282 0 1 HKAF Nc1ccccc1-c1ccc(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)cc1 587249105 GUILMBPUIYEVHA-UHFFFAOYSA-N 418.525 6.756 0 1 HKAF Nc1ccc2c(c1)-c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333034 HJHRLISSJUGTFU-BDYUSTAISA-N 423.443 5.397 0 1 HKAF C[C@]1(c2cc(-c3ccccc3)no2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348183 QQQDBVWTVFBCFP-UKILVPOCSA-N 415.420 5.461 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)c(C(F)(F)F)c1)O2 587381178 GYQJULZAMCCXJN-OAHLLOKOSA-N 400.194 5.065 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cc(C(F)(F)F)ccc3Cl)o1)O2 587383626 ZFMVOYOFTVFXPF-LJQANCHMSA-N 421.802 6.216 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1OCc1cccc(C)c1)[C@@H](C2)C3=O 587420565 QHEMNJLRWNQOOG-NBGIEHNGSA-N 420.892 5.725 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Cl)c(N)c(C(F)(F)F)c1)CC2=O 587462536 QYZZNDWMVUWJKP-LJQANCHMSA-N 413.823 5.480 0 1 HKAF C[C@@]1(c2ccccc2I)CC(=O)c2ccc3c(c2O1)CCCC3 587502973 GVGTYXYLLMGGPY-FQEVSTJZSA-N 418.274 5.051 0 1 HKAF C[C@@]1(c2ccc(Oc3ccccc3)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587508387 VLDOZIOEBDQQQQ-SANMLTNESA-N 402.465 6.377 0 1 HKAF O=C1CC2(CCN(c3ccccc3C(F)(F)F)CC2)Oc2c1ccc1c2CCCC1 587509194 QYFWMECGBXFXLE-UHFFFAOYSA-N 415.455 5.589 0 1 HKAF CC[C@@]1([C@H]2CCCCN2C(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587517226 JMAJSVYYXPVPCX-BWKNWUBXSA-N 413.558 5.469 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccccc2)nc1 587588207 PMXASWQKHNNZGV-WIOPSUGQSA-N 411.413 5.282 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CC1CCCCC1)c1ncccn1 587589549 XXBJTAICKATDGW-PXDATVDWSA-N 416.477 5.010 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cnn(-c4ccccc4)c3C)c2c1 587640578 BCZJTISXRGXYJY-HNNXBMFYSA-N 415.493 5.193 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(Cl)c(Cl)cc32)N1 587703727 ZLYJSNIZBXKSHD-LZVRBXCZSA-N 415.133 5.619 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)cc(C(F)(F)F)c2)N1 587711330 KAABFXHGVQFKRQ-HUTHGQBESA-N 420.219 5.544 0 1 HKAF Cc1cc(C(F)(F)F)ncc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587714267 OWJXPMFSTITEAD-BMLIUANNSA-N 417.244 5.108 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(C(F)(F)F)c2F)N1 587715953 YYENGEBRUZMMED-XLFHBGCDSA-N 420.219 5.544 0 1 HKAF Cc1onc(-c2ccccc2)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587790590 CUPYVMJDIRBUFE-BIBXISHDSA-N 401.279 5.175 0 1 HKAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC1CC1 587806038 ILOXDVOEHXEOLQ-QKVFXAPYSA-N 420.322 5.009 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=Cc3c(ccc4ccccc34)OC2)N1 587836128 RSDWUVQHERXQEK-ZLOXQWCVSA-N 424.313 5.793 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCCC3)s2)N1 587850160 XQYHZDFQPYLNAX-CWTRNNRKSA-N 409.368 5.264 0 1 HKAF COc1cccc(-c2cc(O)n(CC[C@@H](c3ccc(F)cc3)c3ccco3)c2O)c1 587945109 JJDKGBXFMNMJCJ-FQEVSTJZSA-N 407.441 5.529 0 1 HKAF Nc1ccc(-c2ccc3nc([C@H](Cc4ccccc4)c4ccccc4)[nH]c3c2)cc1N 587956356 YDWQWQNNRHPWGB-JOCHJYFZSA-N 404.517 5.769 0 1 HKAF FC(F)(F)c1ccc([C@@H]2CCCC[C@]23NCCc2cc(-c4ccccc4)ccc23)cc1 962663959 FJNYOIQZWRTAAF-AHWVRZQESA-N 421.506 7.071 0 1 HKAF CC1(C)[C@H]2CC[C@]3(C2)[C@H]1[C@@]1(CCC3(C)C)c2ccsc2CCN1Cc1ccco1 962715891 YGTMHRFCXBHDTD-FEOIUFSTSA-N 409.639 6.857 0 1 HKAF CC[C@@H]1S[C@H](C)C[C@@]2(NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)[C@H]1C 962950978 FPWVLHWLOXJNGG-OITFXXTJSA-N 413.549 5.492 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCC1OCCCO1)c1ccccc1OCC 963222739 CKLJXZOYTHDPRS-JIPXPUAJSA-N 423.597 5.529 0 1 HKAF CCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 1772607497 OVFGHVHGCRRVCI-UHFFFAOYSA-N 419.491 5.614 0 1 HKAF O=C(NC1CCCCCC1)c1c(-c2ccccc2)ccn(Cc2ccc(F)cc2)c1=O 1857634477 XFCFHDRWNFQOJT-UHFFFAOYSA-N 418.512 5.155 0 1 HKAF CC1(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5[C@H]6CC[C@@]5(CC[C@@]43C)C(=O)O6)[C@]2(C)CC[C@H]1O 2356387696 DUENBZLSJKSMFL-MQTRPJPQSA-N 414.630 5.738 0 1 HKAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@]2(C)C[C@@](C)(C=CC(=O)O)CC[C@]12C 2356392859 RFUWXMLQNIWPAD-ASQKCUTDSA-N 414.630 6.662 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356403371 HGGDUZQCHPXQPL-BEBFILCJSA-N 414.674 6.382 0 1 HKAF CC(C)(O)[C@@H]1CC=C2[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2Cc4c([nH]c5ccccc45)[C@@]23C)O1 2356469229 FDYCJJJTQUSEOV-QDQBUOKSSA-N 405.582 5.663 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC=C2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 2356477938 MYQAIYGVAHDZRD-QBUCUYDHSA-N 408.670 7.641 0 1 HKAF C[C@H](Cc1ccc(O)cc1)c1cc([C@@H]2O[C@H](c3ccc(O)cc3)[C@H](C)[C@H]2C)ccc1O 2356554252 TWPBAUQJGYNNLT-KVVPUOSKSA-N 418.533 6.234 0 1 HKAF CC(=CC=C[C@H](C)CCCc1ccoc1)CCC[C@H](C)C[C@H]1OC(=O)C(C)=C1O 2356647402 LLUVPJMUQYMVHU-SXWKCWPCSA-N 400.559 6.695 0 1 HKAF CCC(Br)=CC=CC[C@@H]1C[C@@H]2O[C@H](C=C=CBr)C[C@@H]2O1 2356792798 GURBJGFKZHKTEZ-XYBVVWFXSA-N 404.142 5.000 0 1 HKAF CC(C)c1sc(C(C)C)c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O 2002065 TZFHDGAWYDEWTC-AQRBRUGDSA-N 420.546 5.401 0 1 HKAF COc1cc(O)c(-c2c(C)cc(OC)c3c(OC)cccc23)c2c1C(C)=N[C@@H](C)C2 13359236 NXPYZSTXOUQQLT-AWEZNQCLSA-N 405.494 5.300 0 1 HKAF biogenic CC(C)=CC[C@H]1Cc2c(cc(O)c3c2O[C@H](c2c(O)cccc2O)CC3=O)OC1(C)C 15212611 VFMQTYFXQGAJKJ-QKKBWIMNSA-N 424.493 5.196 0 1 HKAF biogenic CCCCOc1ccccc1-c1[nH]c(-c2ccc(Cl)cc2)nc1-c1ccncc1 26572930 KBYZHMCBYCBXMV-UHFFFAOYSA-N 403.913 6.638 0 1 HKAF CC1=CC(C)(C)Nc2cc3c(c(F)c21)-c1ccc(F)cc1[C@H]3OC(=O)C(F)(F)F 26652722 MIOXCNSKJLNGHT-GOSISDBHSA-N 409.354 5.748 0 1 HKAF COc1cccc2[nH]cc(CCCCCCCCCCCCCCCCCCO)c12 28638612 WQJNQMYYLBIZBD-UHFFFAOYSA-N 415.662 7.953 0 1 HKAF C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CC(=O)CC(C)(C)O 33820642 LJDYLLNFUNWTLY-JDLMUQTQSA-N 414.630 5.913 0 1 HKAF Cc1ccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(C)c(Cl)c4)cc23)cc1 40394566 BGDOWKYMIMJOKC-UHFFFAOYSA-N 417.900 6.288 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(c2ccnc3ccccc23)CC1 45194740 GTAKQMUXUOKLAZ-UHFFFAOYSA-N 414.431 5.044 0 1 HKAF C[C@H](CN(C)C)C(=O)Nc1ccc(-c2csc(-c3nc4ccccc4[nH]3)c2)cc1 45230828 WWGQKCFEGGDOAP-OAHLLOKOSA-N 404.539 5.095 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 81164071 DDKSQIWASYXGKZ-RNCHBCSGSA-N 402.663 6.360 0 1 HKAF CCc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccco2)s1 82165524 KINYATIIQDKZHA-DACLVMHWSA-N 408.571 5.905 0 1 HKAF Cc1ccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccccc3F)n2)cc1 82176187 DGNYGMDNKLOCFK-UHFFFAOYSA-N 418.541 5.986 0 1 HKAF CC[C@@H](C)Cn1c(-c2cccc(O)c2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82187875 VJJBQAFGMGLKTI-QZTJIDSGSA-N 415.541 5.461 0 1 HKAF O[C@@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccc3ccccc3c12 101185514 OBLDKFKTBGJWKJ-MOOYMSSBSA-N 417.936 6.254 0 1 HKAF COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4cccc(O)c4)C3=C(O)C2)cc1 104690435 VCUWGAPNNKGXDP-DWXRJYCRSA-N 412.489 6.030 0 1 HKAF CCOC(=O)[C@](C)(Cc1ccccc1)c1ccnc2c(-c3ccc(Cl)cc3)cnn12 115646325 UPYCDEKRPGYCAF-XMMPIXPASA-N 419.912 5.113 0 1 HKAF CC[C@@H](Nc1cccc([C@@H](CC)N2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 118391980 OSFWACRLEHRCFE-FGZHOGPDSA-N 400.950 5.679 0 1 HKAF CCC(=O)N1CC[C@@H]2CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 144127643 CFWYPUDTLBWVFB-MSFOBWSXSA-N 406.614 5.966 0 1 HKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCN(C(=O)CO)C=C21 169317201 AHGMWEWSNMOGNW-ABSDTBQOSA-N 415.574 5.065 0 1 HKAF CC(C)[C@@H]1[C@@H](C)[C@H]1C[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C 255213249 GOZWAAJAKSAXBZ-OAGUWEFLSA-N 412.702 7.491 0 1 HKAF COC(=O)[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccc(Cl)s2)s1 261174022 ULKBAZWILNDSNA-WJMPNBNVSA-N 405.972 5.169 0 1 HKAF COc1ccc(-c2ccc3oc(=O)c(-c4ccc(OC)c(OC)c4)c(C)c3c2)cc1 299822416 CWGNEQNWAHJAHV-UHFFFAOYSA-N 402.446 5.461 0 1 HKAF Cc1ccc(C)c2[nH]c(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nc12 586983629 GTBHYHNWDNKAGT-UHFFFAOYSA-N 420.310 5.862 0 1 HKAF Cc1ccc2c(ccc3nc(/C=C/c4cc(Br)c5c(c4)OCCO5)[nH]c32)n1 587000586 IAGBXNMNANDBHT-XVNBXDOJSA-N 422.282 5.124 0 1 HKAF Oc1nccc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c12 587013597 SLXUBZLICQFMBL-UHFFFAOYSA-N 418.909 5.698 0 1 HKAF Cc1cc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2cc1Cl 587051994 INWSIJWALVFFOP-UHFFFAOYSA-N 418.711 5.709 0 1 HKAF COc1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1C 587068959 AARPFKSWDAYWKM-HMMYKYKNSA-N 402.925 6.707 0 1 HKAF Cc1c(Br)cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1C 587080544 QGVKYEMUEKGPSJ-HNNXBMFYSA-N 417.738 5.319 0 1 HKAF Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)nnn1-c1ccc(F)cc1 587104634 SPYOBYQPRLZWSO-UHFFFAOYSA-N 406.420 5.141 0 1 HKAF COc1c(F)cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1F 587134850 OZJLLSWCEUGFNE-UHFFFAOYSA-N 423.135 5.178 0 1 HKAF Cc1ccc2c(ccc3nc(-c4ccc(F)c(-c5ccc(C(=O)O)c(F)c5)c4)[nH]c32)n1 587138962 XVBNFABCGWUQHH-UHFFFAOYSA-N 415.399 5.730 0 1 HKAF Cc1ccc(C)c2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc12 587178935 OVXIZXHLIWKIDO-UHFFFAOYSA-N 416.184 5.470 0 1 HKAF Clc1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cc1Cl 587182471 GPDFEKMPZCIKPU-UHFFFAOYSA-N 423.468 5.795 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 587233986 URNIGOCRLYHOIP-ZWKOTPCHSA-N 407.514 5.303 0 1 HKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 587239006 RHFBCWTXVNJRFD-UHFFFAOYSA-N 412.472 5.497 0 1 HKAF COC(=O)c1cc(Br)c2nc(-c3ccc(-c4ccccc4N)cc3)[nH]c2c1 587251036 WVVJEAAHUCYTNA-UHFFFAOYSA-N 422.282 5.028 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351008 FWHFIZQCIFPCON-GYZWWNDVSA-N 422.540 6.812 0 1 HKAF COc1cccc(-c2cc(-c3cnc4cc(C)nn4c3C)nc3c2oc2ccccc23)c1 587362471 HXTOJWQIDRTWSG-UHFFFAOYSA-N 420.472 5.983 0 1 HKAF Cc1ccc([C@@]2(c3cccc(Br)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587376594 JQFHKJCTDKHGDL-HSZRJFAPSA-N 422.322 5.557 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCCc3cc(Br)ccc31)CC2=O 587457122 FKWDCWUTIBOCOF-JOCHJYFZSA-N 415.327 5.694 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCc1ccc(Cl)cc1)CC2=O 587463242 UHHGKQFWCDSMNN-DEOSSOPVSA-N 422.908 6.284 0 1 HKAF CCCCc1ccc([C@@]2(C(=O)OCC)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587476688 AFCNCMCUADLBNW-RUZDIDTESA-N 410.510 5.111 0 1 HKAF O=C1C[C@@H](c2cccn2-c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 587502736 DTJQNDHRNWIRNW-QFIPXVFZSA-N 412.316 6.369 0 1 HKAF O=C1C[C@@H](c2cnc(-c3cccc4ccccc34)nc2)Oc2c1ccc1c2CCCC1 587514233 HPAPDNWSONPEOS-VWLOTQADSA-N 406.485 5.882 0 1 HKAF Cc1cccc(Br)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542181 XMPKBBHIBFMOQP-RXVVDRJESA-N 411.251 5.166 0 1 HKAF CC[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545267 HAILSFBMYOWDCE-KNQAVFIVSA-N 414.379 5.678 0 1 HKAF C[C@]1(c2c[nH]c3ccc(Cl)cc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552310 PYFBFTPQHSUYSZ-NZQKXSOJSA-N 405.837 5.404 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc2ccc(Cl)cc12 587554254 WODLKJYINDBFEQ-NZQKXSOJSA-N 403.821 5.297 0 1 HKAF Cc1cccnc1[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587589576 VQZSMUUWBDBDNF-ZIYZLLSTSA-N 401.462 5.154 0 1 HKAF Cc1ccc([C@]2(C3CCCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587602400 JXZOIAUOGMTBPY-BVAGGSTKSA-N 400.474 5.748 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(Cl)cc2)N1 587693932 FRFNZKAZSAONHE-MPBGBICISA-N 419.725 5.656 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(C(F)(F)F)c2)N1 587711281 JMIKMPLGGHIFQJ-ZKANADHPSA-N 406.192 5.370 0 1 HKAF Cc1ccc(-n2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c(C)c1 587752150 CCRDSHAPTKFRKB-QRQCRPRQSA-N 413.334 5.619 0 1 HKAF Cc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587756507 RRCPJUQLVMYWCZ-QRQCRPRQSA-N 413.334 5.619 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OC(C)(C)C)cc2)N1 587794520 OVKARKXYXHNRDX-LRTDBIEQSA-N 406.339 5.563 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2c[nH]c3ccccc23)N1 587802923 ONFNJIPEEBRFGX-ZSEKCTLFSA-N 401.323 5.452 0 1 HKAF COc1ccc2c(c1)C(C)(C)C[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587809889 RKXXIWCNZGHNQE-LAJNKCICSA-N 404.323 5.056 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3cccc4c3c2CC4)N1 587816101 UEJLQUZSZLJDDZ-ZAMGYDSWSA-N 410.330 5.638 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(C3CCC(=O)CC3)CC2)N1 587818931 SUZNBJDTOHNZNK-TZHTUTLZSA-N 408.355 5.267 0 1 HKAF CCCCc1oc2ccccc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587831409 WNLXYXGCOKLYFP-WHEQGISXSA-N 416.334 6.301 0 1 HKAF COc1ccc([C@]2(c3ccco3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587831690 XYSFEFGVZADJHT-ASSNKEHSSA-N 416.290 5.016 0 1 HKAF Cc1sc(N)c([C@]2(C3CC3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587841303 ANJQOLCHSQFOCE-AYLIAGHASA-N 409.368 5.037 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1nccs1 587852951 JSMIIYWLDHBPQI-YPMLDQLKSA-N 420.351 5.076 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc3ccc(Cl)nc23)N1 587857519 KVKAXTOQPKJOSY-ZKANADHPSA-N 411.727 5.475 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)N[C@H]1CCCC[C@H]1C 587866670 IRLTWXHXQAGYKM-CJNGLKHVSA-N 411.493 5.269 0 1 HKAF COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(Cc2ccccc2)c1O 587942272 WZUGUIJJDDYOKP-UHFFFAOYSA-N 421.880 5.934 0 1 HKAF c1coc(CN2CCc3sccc3[C@]23CCCOc2c3ccc3ccccc23)c1 962712858 WEXVKKBCMFPGAQ-VWLOTQADSA-N 401.531 5.969 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(-c3cc(C(=O)O)ccc3C)o2)N1 962950710 HUTQIDZGOINXBJ-UPCLLVRISA-N 400.478 5.448 0 1 HKAF CC[C@H](C)Oc1ccc2c(c1Cl)CCN(Cc1ccc([C@@H](C)NC(C)=O)cc1)C2 1772601487 MGJFQPQBPFHKFC-DLBZAZTESA-N 414.977 5.273 0 1 HKAF FC(F)(F)c1ccc(-n2ccc([C@@H](c3ccc(Cl)cc3)n3ccnc3)c2)cc1 1857583810 GLYVVGKLPYPQFQ-HXUWFJFHSA-N 401.819 5.984 0 1 HKAF CC[C@@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356352130 NEWQKITUJNEGAS-XGZDGSBNSA-N 414.718 7.881 0 1 HKAF CCO[C@@H]1CC(=O)O[C@@H]2CC(=O)C[C@]12CC=C(C)CCC=C(C)CCC=C(C)C 2356389646 BOVUSYWJRLVHHQ-VDKIKQQVSA-N 402.575 5.866 0 1 HKAF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CCCC=CC=Cc4ccccc4)[C@@H]4C=C[C@@H]1[C@H]2[C@H]43 2356424916 YUFZJFBMKNIVGN-JDJRCGPMSA-N 402.534 5.112 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@@]4(C)C(=CC[C@@]21C)O3 2356425302 CINZVIXZRUAXFE-JFKFFJRHSA-N 412.658 7.262 0 1 HKAF CC(C)=CCCC[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 2356519162 QFPQAPVPUNXXDR-PICAUHNGSA-N 412.702 8.233 0 1 HKAF CC(C)c1ccc(C[C@@H]2C[C@@H]3C(C)(C)CCC[C@@]3(C)c3cc(O)c(C(C)C)cc32)cc1 2356625064 YNDIZZUNLKBRKP-OIUQCLNLSA-N 418.665 8.453 0 1 HKAF C[C@@H](CC[C@H](C)[C@H]1C[C@H]1C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356679499 AOOVLQXWRHMRMX-GCURCCLRSA-N 412.702 7.635 0 1 HKAF C[C@]1(C(=O)Nc2cccc(Oc3ccccc3)c2)Cc2c(-c3ccccc3)ccnc2O1 61906938 AINILNCBBINRGE-HHHXNRCGSA-N 422.484 5.873 0 3 HKAF CC[C@@H](CO)Oc1cc(NCc2ccc(C(F)(F)F)cc2)c2ncn(C(C)C)c2c1 61948945 KIDQNDXIOWCLOQ-KRWDZBQOSA-N 421.463 5.398 0 3 HKAF COc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)CC[C@H](CN(C)C)C4)cc2)cc1 590936 ZLENJXHJTDYRCQ-IBGZPJMESA-N 414.549 5.281 0 1 HKAF CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccsc2)cc1 4051388 WFLSHUMBLNILPH-GMAHTHKFSA-N 418.562 5.454 0 1 HKAF C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@H]1C2=CCC[C@H]1c1ccccn1 13651632 OEHUIPPGCFENGR-NOTUOJBMSA-N 411.524 6.266 0 1 HKAF O[C@@H](CNCc1ccccc1OCc1ccccc1)c1cccc(C(F)(F)F)c1 14966750 ONZHLZFZUVGRCW-NRFANRHFSA-N 401.428 5.108 0 1 HKAF C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(F)nc1 28523641 DHWWHGHZBWODEZ-QDSKXPNFSA-N 407.464 5.025 0 1 HKAF Clc1ccc([C@@]2(Cn3ccnc3)OC[C@H](c3ccccc3Cl)O2)c(Cl)c1 28768241 BVANVJVABVSZKC-MOPGFXCFSA-N 409.700 5.484 0 1 HKAF O=C(Nc1ccc(SC(F)(F)F)cc1)c1c(O)c(Cl)cc(Cl)c1Cl 28863533 NOOVZZZKCLJZNN-UHFFFAOYSA-N 416.635 6.217 0 1 HKAF C[C@@]1(c2ccc3ccccc3c2)CC(c2ccc3ccccc3c2)=Cc2ncnc(N)c21 29045711 HVURFPQECSMAGG-LJAQVGFWSA-N 413.524 6.616 0 1 HKAF CCC[C@]1(c2cccs2)OCC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21 34576397 QBINHQGBESEKBY-QFIPXVFZSA-N 415.917 6.220 0 1 HKAF O=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 58012607 IUCBCZXAHISAEI-DEOSSOPVSA-N 410.989 5.395 0 1 HKAF CCN(CC)CCN1c2nc3ccccc3cc2Sc2cc3ccccc3nc21 73225051 XDKDBQZAQPTXME-UHFFFAOYSA-N 400.551 5.728 0 1 HKAF COc1ccc(Oc2cc(NC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)ncn2)c2ccccc12 82067403 ZNTNTKVQCJZOOE-ZWOKBUDYSA-N 403.526 5.915 0 1 HKAF O=C(NCC1CCCCC1)c1cnc(NC2CCCCC2)nc1-c1ccc(F)cc1 82136304 CBQYCVHWDVFPCT-UHFFFAOYSA-N 410.537 5.337 0 1 HKAF CCCCCn1c(CCC)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 82189878 LEPMWPMMDFHNGH-UHFFFAOYSA-N 420.388 5.930 0 1 HKAF O=c1ncn2nc(Sc3ccccc3)ccc2c1-c1ccc(Cl)c(Cl)c1 84615695 AGQUYTBMSDTCRL-UHFFFAOYSA-N 400.290 5.215 0 1 HKAF Cc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 96917492 QDVDFLPACXQDJJ-UHFFFAOYSA-N 409.848 5.158 0 1 HKAF COc1cccc([C@H]2C3=C(O)c4ccccc4C3=Nc3nn(-c4ccccc4)c(O)c32)c1 101709592 WOPFESRWRLEUFI-FQEVSTJZSA-N 421.456 5.136 0 1 HKAF Cc1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4Cl)CC(O)=C32)s1 103921310 IHTLIVPFMODOLO-OWJWWREXSA-N 420.965 7.339 0 1 HKAF CCOc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC)cc(Cl)c1O 103922571 HJCRLRIJHKKVLU-SFHVURJKSA-N 419.905 5.062 0 1 HKAF O=C(O)c1cccc(-c2ccc3c(c2)[C@@H](CNc2nc4ccccc4s2)CCC3)n1 169349182 FPOQYZOPIMTCBV-QGZVFWFLSA-N 415.518 5.589 0 1 HKAF COc1ccc(-c2ccc3c(c2)[C@@H]2C[C@H]3CCN2S(=O)(=O)c2ccccc2C)cc1 169354519 FAGXYHJDLFIJSU-YKSBVNFPSA-N 419.546 5.294 0 1 HKAF Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(CC3CC3)[nH]2)c(F)c1 200832677 KGUJFFHJPGGIGM-UHFFFAOYSA-N 423.488 5.028 0 1 HKAF FC(F)(F)c1cc(Nc2cc(Cl)cc(Cl)c2)n2nc(C(F)(F)F)nc2n1 206514254 URLBZCHMRGRADT-UHFFFAOYSA-N 416.112 5.212 0 1 HKAF C[C@H]([C@@H](O)CCC(C)(C)F)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 299804583 HAAJKVUMSLGIDT-QAWBVTBYSA-N 420.653 6.452 0 1 HKAF CN(C)CCn1c(Cc2ccc(Cl)c(Cl)c2)nc2cc(C(F)(F)F)ccc21 299827515 GCHBDURRMCNJKO-UHFFFAOYSA-N 416.274 5.514 0 1 HKAF Cc1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cc1Br 587013288 RYSPYKCPLLLCDC-UHFFFAOYSA-N 413.138 5.397 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc4c(c3[nH]2)CCCC4)C[C@@H]2CCCC[C@H]21 587024456 AHVCQELGNAXNPK-BWAGFHJFSA-N 419.594 5.578 0 1 HKAF FC(F)(F)c1c(Br)ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 587036687 JREQXAXGZJMMHX-LLVKDONJSA-N 417.250 5.262 0 1 HKAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587040340 NFFSVEZENVIPLX-NSHDSACASA-N 423.844 5.097 0 1 HKAF Clc1ccc(-c2ccc(-c3nc4c(Cl)cc(Br)cc4[nH]3)cc2)nn1 587085106 KMNLXYYEFUZZNC-UHFFFAOYSA-N 420.097 5.756 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cccc(SC(F)(F)F)c3)nc3cccc1c23 587103208 HTWQNODPXNHASX-UHFFFAOYSA-N 407.416 6.725 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1CN(Cc2ccccc2)C[C@H]1CC3 587106018 KBRCBVKGQDYUPI-NTKDMRAZSA-N 416.524 5.608 0 1 HKAF CNc1c(F)cccc1-c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 587135632 KOTZARWFAPYATR-UHFFFAOYSA-N 408.408 5.080 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(C)cnc(Cl)c4[nH]3)cc2F)c1 587144189 UGGAIVGZKWYLKK-UHFFFAOYSA-N 411.820 5.100 0 1 HKAF O=C1c2ccc(O)cc2OC2(CCN(CC3CCCCC3)CC2)[C@@H]1c1ccc(F)cc1 587346600 SCTNMCCOHJDPJF-XMMPIXPASA-N 423.528 5.305 0 1 HKAF Cc1cc(C)c2c(c1)OCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587360374 VDDPILLEVJRKPO-ILBGXUMGSA-N 404.437 5.185 0 1 HKAF COc1cccc(-c2cc(-c3nc(Cl)cnc3N)nc3c2oc2ccccc23)c1 587360859 RRGZDKYQULZJHX-UHFFFAOYSA-N 402.841 5.349 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(C(F)(F)F)cc1C(F)(F)F)[C@@H](C2)C3=O 587420108 IEUVFGJBBZVUKK-KSSFIOAISA-N 416.317 5.396 0 1 HKAF COc1cc2c3c(c1)O[C@]1(C[C@H](C)CCc4ccc(Br)cc41)[C@@H](C2)C3=O 587420658 YUHWFOVNUNXZSV-OCKUYBSPSA-N 413.311 5.073 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1c(F)cccc1O[C@@H](C)c1ccccc1)[C@@H](C2)C3=O 587421765 ANYZFVJARYWCSV-BYXUUWECSA-N 418.464 5.637 0 1 HKAF CCCOc1ccc(Br)cc1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587458006 PBBLWKXESDKJOR-HXUWFJFHSA-N 419.315 5.603 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cc(Br)ccc1F)(C1CC1)CC2=O 587466606 MNICPYARBLBSLC-NRFANRHFSA-N 419.290 5.517 0 1 HKAF O=C1CC2(CCN(c3nc4cc(Cl)ccc4o3)CC2)Oc2c1ccc1c2CCCC1 587503229 XTOJIGNEXYSSMZ-UHFFFAOYSA-N 422.912 5.364 0 1 HKAF CCn1cc(-c2cc3ccccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587518781 PNVMDVNYERZYNK-XMMPIXPASA-N 411.505 5.408 0 1 HKAF COC(OC)c1oc2ccc(O)cc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587533705 SPCKMFYNQMPEGA-HXUWFJFHSA-N 408.450 5.015 0 1 HKAF C[C@]1(Cc2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540965 CLODMEDCWMTGRV-SIKLNZKXSA-N 415.272 5.662 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1ccccc1-c1ccccc12 587603637 OKWPXOCEKOCMON-YIXXDRMTSA-N 420.420 5.113 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccccc2)s1 587609001 AWRGZGVMDOAOOE-SIKLNZKXSA-N 401.443 5.219 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccccc2Cl)N1 587700706 VVVSTMZFRNDTHX-YUNKPMOVSA-N 419.725 5.656 0 1 HKAF COc1c(F)cc(F)cc1/C=C/[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587715465 CQVDTTMDBVWWLO-VNQSWOMRSA-N 412.249 5.164 0 1 HKAF Cc1ccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587742324 QRYMINDJBPHHIM-SEOQWQOGSA-N 417.366 5.058 0 1 HKAF COc1ccc(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)c(OC)c1C 587786983 ITQUMKNJXYDBIU-UHFFFAOYSA-N 405.292 5.105 0 1 HKAF COc1ccc(C)c2c1CCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587804804 BWGSXBCZEXACHF-ASSNKEHSSA-N 404.323 5.019 0 1 HKAF COc1cccc([C@@]2(C(C)(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587807265 KMZFTGWYVSNWAK-YEJXKQKISA-N 406.339 5.421 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccccc3)o2)N1 587831760 YEUYZNHMXBZHOU-ZSEKCTLFSA-N 400.291 5.646 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCCC3)Oc3ccccc32)N1 587837771 KZZIHIXLCABKOQ-PEBXRYMYSA-N 416.334 5.461 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccsc2Br)N1 587841376 ATZNMORKDUCWQU-FUXBKTLASA-N 405.130 5.036 0 1 HKAF Cc1sc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587844723 OVLJAUFCMZCHST-ZIDLFYJRSA-N 419.157 5.344 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)s2)N1 587847619 LTAWQDWYKAXDLY-VXJOIVPMSA-N 419.157 5.210 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cc3ccccc3)s2)N1 587847921 MUDCXQKNJXXVFM-ZSEKCTLFSA-N 416.359 5.864 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(Cl)ccc1Cl 587863770 HPFOOOSZVPQFMN-UHFFFAOYSA-N 401.215 6.264 0 1 HKAF COc1cccc(-c2cc(O)n(-c3ccc(Oc4ccc(F)cc4)c(F)c3)c2O)c1 587945782 PTGOCFGDXLBDEF-UHFFFAOYSA-N 409.388 5.635 0 1 HKAF COc1ccc2c(c1)c([C@@H]1c3cc(OC)c(OC)cc3C[C@@H](C)N1C)cn2C(C)C 962625001 MBLKWIRFCJKVLT-CPJLOUKISA-N 408.542 5.214 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(F)cc2)(c2ccc(Cl)nc2)N1 962947548 BXGUPCIVSZWYJC-MHECFPHRSA-N 405.904 5.572 0 1 HKAF CCCCC[C@@]1(CP(=O)(OCC)OCC)c2ccc(F)cc2C[C@H]2CCCN21 963099628 APVADXXAOVYQHJ-IFMALSPDSA-N 411.498 5.888 0 1 HKAF Fc1cccc2c1[C@]1(c3ccccc3-c3ccc(Br)cc31)N1CCC[C@H]1C2 963109582 MFFLAGWBDUGGNY-BXKMTCNYSA-N 420.325 5.881 0 1 HKAF Nc1cc(-c2cccc(C(F)(F)F)c2)c(C(=O)c2ccc(Cl)cc2Cl)s1 1857649496 RQKKWJRKQVMABP-UHFFFAOYSA-N 416.251 6.554 0 1 HKAF CCC1(CC)CC(C)(C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc21 1857775259 JPAMXCCTAKQMOJ-UHFFFAOYSA-N 420.475 6.968 0 1 HKAF CC(C)[C@@H](C)[C@@H](C)C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356445223 YWMIDHFXAUEUTC-FGFMAJRNSA-N 414.718 7.881 0 1 HKAF COc1ccc(C(=O)[C@@H]2C(=O)O[C@@](C)(CCC=C(C)CCC=C(C)C)[C@@H]2C)c(O)c1 2356458355 KIPSERMYRVHHGN-KPCPBYSCSA-N 414.542 5.624 0 1 HKAF C[C@@H]1C[C@H](N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 3960713 VGFZCFWVSYIXEK-CLOONOSVSA-N 410.517 5.610 0 1 HKAF O=C(C1CCCCC1)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1 13730942 ALNLNNGVDVYQOX-UHFFFAOYSA-N 404.598 5.902 0 1 HKAF CCc1cc(NCCC2CCN(Cc3ccccc3)CC2)nnc1-c1ccccc1 13863622 ALSNDZNRDOKMKL-UHFFFAOYSA-N 400.570 5.420 0 1 HKAF Cc1cc(O)cc2c1O[C@](C)(CC1=C[C@]3(C)CCC[C@@]3(C)[C@@]3(C=CC(C)(C)O3)O1)CC2 14953559 MDBHLEZYLMCUFV-NFGXINMFSA-N 424.581 6.346 0 1 HKAF biogenic COc1cc2c(c(C)c1Cl)C(=O)Oc1c(Cl)c(OC)c(Cl)c(C)c1O2 15122058 HEZSUFJPGFDKIG-UHFFFAOYSA-N 403.645 5.606 0 1 HKAF biogenic CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)Nc1c(F)cccc1F 26167562 JLSFCLSDYVNUKD-RCHUDCCISA-N 413.552 7.825 0 1 HKAF CCC(=O)N(c1ccccc1)C1(c2ccccc2)CCN(CCc2ccccn2)CC1 26568131 NRFULJYVKXBLIG-UHFFFAOYSA-N 413.565 5.059 0 1 HKAF CC(C)CCC1(C(=O)Nc2ccc(Cl)cc2SC(=O)C(C)(C)C)CCCCC1 26577032 PPLIUJAXWQFCOC-UHFFFAOYSA-N 424.050 7.330 0 1 HKAF CCCCC/C=C/C=C\CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 26578325 SAINXPXPJMMJBR-GOJKSUSPSA-N 415.618 6.831 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C 34759966 XKYJBQWATZUMSB-WUELKCQHSA-N 422.697 8.463 0 1 HKAF Cc1ccc(-c2ccc(/C=C/[C@@H]3[C@@H]4[C@@H](C)OC(=O)[C@@H]4C[C@@H]4C[C@H](O)CC[C@H]43)nc2)cc1 34802900 ZRGHVFVJKHYXGH-MGSGICJCSA-N 417.549 5.045 0 1 HKAF Cc1cc(Nc2nc(Sc3ccc(Cl)cc3Cl)nc3ccccc23)n[nH]1 38397138 HWUIJIOSFJIUGC-UHFFFAOYSA-N 402.310 5.863 0 1 HKAF CCCC[C@@H](CC)COC(=O)c1cc(CO)cc(C(=O)OC[C@H](CC)CCCC)c1 40394609 JZADKPADDWZGKB-WOJBJXKFSA-N 420.590 5.925 0 1 HKAF Cc1ccc(CN(C)CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)c(C)c1 40915116 PIGPGDDXIJQODA-UHFFFAOYSA-N 414.568 6.841 0 1 HKAF CN(C)Cc1ccccc1Sc1ccc(Cl)cc1NC(=O)c1ccc(F)cc1 40951862 WTYXDWNXFMLYJZ-UHFFFAOYSA-N 414.933 5.944 0 1 HKAF CCN(CC)C(=O)[C@H]1Sc2ccccc2-c2c1c1ccc(OC)cc1n2CCF 68208466 FMJMFAYUNUEUSC-QFIPXVFZSA-N 412.530 5.302 0 1 HKAF Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1c(C)cccc1C)c1ccc(Cl)cc1 71341461 ZBLMQKDNQUCLHP-JOCHJYFZSA-N 406.913 5.375 0 1 HKAF C[C@H](c1ccccc1)N1CCC(N[C@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72101429 PSQZBUSVRQAYIV-IQGLISFBSA-N 423.963 5.779 0 1 HKAF O=C(O)C[C@@H](Cc1nc2cc(Cl)ccc2[nH]1)c1ccc(Cl)c(C(F)(F)F)c1 72118758 XEVXPFPNNOYXPR-SNVBAGLBSA-N 417.214 5.690 0 1 HKAF CCCN(CCC)c1c(CC)c(Nc2ccc(OC)cc2Cl)nc2ccnn12 72118760 SPPKGJMZQQTJDS-UHFFFAOYSA-N 401.942 5.324 0 1 HKAF O=C(O)c1c(-c2ccc(F)cc2)c2cc(Cl)ccc2n1Cc1cccc(Cl)c1 72183534 VXBLEUGXPKLSAJ-UHFFFAOYSA-N 414.263 6.501 0 1 HKAF Cc1ccc(Br)cc1-c1nsc(-c2ccc(Br)cc2C)n1 95560901 ZQDRUZCRPMDKBG-UHFFFAOYSA-N 424.161 6.014 0 1 HKAF CC1=C(/C=C/C2=NN(c3ccccc3)[C@H](c3ccccc3Cl)C2)C(C)(C)CCC1 95587724 QNAKIEVOFAWVTC-DACFSCGWSA-N 404.985 7.730 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 96014369 YSKVBPGQYRAUQO-NPAMSQCVSA-N 414.718 8.025 0 1 HKAF COc1cc(-c2nc(C3CCC3)n3ccnc(N)c23)ccc1Oc1ccccc1Cl 96168074 YOCDCBKYGQYWFE-UHFFFAOYSA-N 420.900 5.700 0 1 HKAF O=c1cc(NCCCNCc2cc(Cl)cc(Cl)c2Cl)oc2ccccc12 101011904 BNFFHPAYYAYUHK-UHFFFAOYSA-N 411.716 5.345 0 1 HKAF Cc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(OCc4ccccc4)cc3)C2)cc1 103293295 SCBYJPBVHYABDR-GDLZYMKVSA-N 418.540 6.930 0 1 HKAF CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(F)c2)C2=C(O)CC(C)(C)CC2=N1 103521154 UTDXVQRLNIJCBE-HSZRJFAPSA-N 419.496 6.013 0 1 HKAF Cc1cc(-c2cn[nH]c2)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12 113660857 AWHHMDMYGALEAJ-UHFFFAOYSA-N 419.532 5.705 0 1 HKAF CC(C)[C@@H](C)[C@H](C)C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118923992 KTGGCSVZUGUIFS-LRXZHYPOSA-N 416.734 7.961 0 1 HKAF C[C@@H]1CCC([C@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)=NC1 118935345 HFOSABNORYNULM-IDTZORMQSA-N 415.662 5.484 0 1 HKAF FC(F)(F)c1c(CN2CCC[C@@H](c3ccccc3)C2)ccn2c(CC3CC3)nnc12 139947654 CJKRWAYCCMUCCB-GOSISDBHSA-N 414.475 5.080 0 1 HKAF CC1(C)C=Cc2c(ccc(-c3coc4cc5c(c(O)c4c3=O)C=CC(C)(C)O5)c2O)O1 140004906 QQOCAQKFGOEINE-UHFFFAOYSA-N 418.445 5.240 0 1 HKAF [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(O)c(Cl)c3)o2)[C@H](C)O)c(C)c1Cl 146569459 BUNWWLRTVBEPHT-DYZYQPBXSA-N 419.268 5.142 0 1 HKAF FCCn1cc(-c2ccncc2)c(-c2ccc(OCc3nc4ccccc4o3)cc2)n1 210756679 RWIMDNDGIIXAQK-UHFFFAOYSA-N 414.440 5.302 0 1 HKAF O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2ccc(Cl)cc2)cc1 216052663 PTCJFPVGGBXZRA-UHFFFAOYSA-N 423.343 6.038 0 1 HKAF CC(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H]4CC=C5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]3(C)[C@@H]12 255260321 PZTLWJIROQBMKK-OHMKWHBASA-N 424.713 7.945 0 1 HKAF C[C@@H]1CC[C@@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@@]5(C)[C@@H]4CC[C@]3(C)[C@H]1[C@H]2C 299813350 WQLVFSAGQJTQCK-IJURYWEASA-N 414.630 5.714 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(F)c(Br)c3[nH]2)c1 586880217 ZZHXZXHPHGZLCQ-UHFFFAOYSA-N 423.285 5.979 0 1 HKAF CC1(C)[C@H]2CC[C@]3(C2)[C@@H]1c1nc2ccc(O)c4c2c(c1CC3(C)C)-c1ccccc1C4=O 586991334 TYTGGHDMTRKWSZ-MGXQXHRLSA-N 423.556 6.644 0 1 HKAF CC(C)=Cc1nc2ccc(O)c3c2c(c1[C@H](C)c1ccc(C)cc1)-c1ccccc1C3=O 586991942 RTWKFHLWEGEWRL-GOSISDBHSA-N 419.524 7.035 0 1 HKAF Clc1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cn1 586999967 HDOSMRYTRFVIKK-UHFFFAOYSA-N 414.694 5.048 0 1 HKAF Cc1nc(C2CC2)sc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587013065 WRIPRMMLYPKJNF-UHFFFAOYSA-N 402.239 5.654 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c(-c3ccccc3OCc3cscn3)nc2c1 587029244 LPYKUYSAIPXECN-UHFFFAOYSA-N 409.820 5.938 0 1 HKAF Cc1nccc2nc(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCC4)[nH]c12 587030505 FVLCIYVJNYRXJW-UHFFFAOYSA-N 408.914 5.389 0 1 HKAF Clc1ccccc1-c1nc(-c2nc3cccc(I)c3[nH]2)co1 587061267 TVXJZTUDYGDGFL-UHFFFAOYSA-N 421.625 5.143 0 1 HKAF CC(C)(C)c1cccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 587116847 LDMWTGCGYJRULS-UHFFFAOYSA-N 410.871 5.849 0 1 HKAF CCCCOc1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1Br 587152420 MYJAZLZTVZQZRX-OLZOCXBDSA-N 421.285 6.054 0 1 HKAF COc1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 587165900 OZWWCECSVNKQMA-UHFFFAOYSA-N 413.456 5.048 0 1 HKAF Cc1c(-c2nc3ccc(F)c(Br)c3[nH]2)cc(-c2ccc(F)cc2)n1C 587165994 KMCKMURDMWRCPL-UHFFFAOYSA-N 402.242 5.585 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cccc(OCc3ccccc3)c2[nH]1)C(C)(C)C 587203263 DSVLPMSWSCTUPG-HXUWFJFHSA-N 423.557 5.624 0 1 HKAF O=C(OCc1ccccc1)N1CCC2(CCc3nc4cccc5c4c(c3C2)CC5)CC1 587213705 ZIUAPCNFKXFYKW-UHFFFAOYSA-N 412.533 5.241 0 1 HKAF CCOc1ccc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587347432 DKCZGXMATCLNQV-UKILVPOCSA-N 406.453 5.290 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3cccc(Cl)c3)c3ccccc13)O2 587378041 MCAOUMZFDMXLLO-DEOSSOPVSA-N 416.908 5.940 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](OC(C)C)c1ccccc1)O2 587399784 KBDXJKDMZFNHCL-UIOOFZCWSA-N 401.506 5.604 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1cccc(-c4ccc(C(F)(F)F)cc4)c1)[C@@H](C2)C3=O 587423148 RKONASDOPAZNMI-GBXCKJPGSA-N 424.418 6.044 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1OCC)CC2=O 587456857 BUHOVVPREFKGPE-LJQANCHMSA-N 405.288 5.212 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)c3ccccc13)CC2=O 587458519 KIYYTAHOPBPQAZ-NRFANRHFSA-N 411.295 5.967 0 1 HKAF CCCc1c(O)ccc2c1OC1(CCC(c3cccc(C(F)(F)F)c3)CC1)CC2=O 587464019 GPVRQECMWFZRCY-UHFFFAOYSA-N 418.455 6.425 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cn([C@@H](CC)C(=O)O)c3ccccc13)CC2=O 587469800 FYBJSTSLHXYQQO-DFBJGRDBSA-N 421.493 5.216 0 1 HKAF O=C1C[C@@H](c2cc(Cl)ccc2OC[C@H]2CCCO2)Oc2c1ccc1c2CCCC1 587498188 DBHHFDMEEKFNKU-HXOBKFHXSA-N 412.913 5.483 0 1 HKAF C[C@]1(c2ccc(Oc3ccccc3)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587508383 VLDOZIOEBDQQQQ-AREMUKBSSA-N 402.465 6.377 0 1 HKAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN1CCC[C@@H](C)C1 587515252 RLWYKMXSBYEBQL-WXTAPIANSA-N 419.565 5.512 0 1 HKAF CCCCOc1cc2nc(CCOCc3ccccc3)[nH]c2cc1Br 587566129 WMUNIIQUWIGPKA-UHFFFAOYSA-N 403.320 5.264 0 1 HKAF CC[C@H](C)Oc1c(OC)cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595454 OCADQFVFRJAKTR-ZIVSUXNBSA-N 420.461 5.281 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCSc1c(Cl)cccc12 587619927 VVWUGPDQCDECQK-GCJKJVERSA-N 410.878 5.399 0 1 HKAF Cc1cc(Cl)cc2c(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)[nH]c12 587623842 RTIYGGKRQRQONJ-UHFFFAOYSA-N 421.154 8.424 0 1 HKAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)cc3)c(CSc3ccccn3)c2c1 587649801 KRSKHVDPURGSAO-UHFFFAOYSA-N 412.511 5.065 0 1 HKAF Cc1cc(Cl)cc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)nc12 587692163 AFQOVANSMGREJF-PRWKNARSSA-N 419.725 5.722 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OCC2CC2)N1 587701161 WOMBSVRFEXMYET-BIBXISHDSA-N 424.741 5.654 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(Cl)c(Cl)c2)N1 587705269 LYRWTSZCQPBZHL-VPTHRUTESA-N 404.110 5.088 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccc(F)cc3)c2)N1 587735409 PRSIWAJKBCBMMB-MCMMXHMISA-N 414.293 6.018 0 1 HKAF Cc1cccnc1[C@@H]1CCC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587774513 VYJYAOVDFOYQGY-NVAPDCRFSA-N 403.339 5.379 0 1 HKAF COc1cccc(OCc2ccc(-c3nc4cc(F)c(-n5cccn5)cc4[nH]3)cc2)c1 587781142 QOADKEXOSKYISR-UHFFFAOYSA-N 414.440 5.142 0 1 HKAF CC[C@@]1(C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2cc(Br)c(F)cc21 587816023 SLSQFTFSUDBTPS-JVRBXRCWSA-N 406.383 5.944 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccc(-c3ccccc3)cc2)N1 587817464 CFGPTKYUYFSDAY-GYCJOSAFSA-N 424.357 6.463 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(C(F)(F)F)cs1 587853999 CVXRTBORENJQIY-UHFFFAOYSA-N 408.232 5.720 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1ccccc1O 587860278 SLKUAJQLCYBEDH-UHFFFAOYSA-N 423.321 5.394 0 1 HKAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c2)c1 587931683 CQHOIBYKSPWQKJ-UHFFFAOYSA-N 422.488 5.443 0 1 HKAF CCc1nn2cc(-c3nc4ccc(OCc5cccc(Cl)c5)cc4o3)nc2s1 653684764 KGWZOJZWYBWCQI-UHFFFAOYSA-N 410.886 5.394 0 1 HKAF O=C1CCc2cc([C@]3(c4ccccc4)c4c(F)cccc4C[C@@H]4CCCN43)ccc2N1 963098598 GPJFJZDFUYLMDD-WXVAWEFUSA-N 412.508 5.023 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2 963230774 AIVRKCAHCHQFCY-UQBPGWFLSA-N 420.597 6.120 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cn(C(=O)OC(C)(C)C)c2cc(C)ccc12 963240540 KKBZHEKXSQMABX-UQBPGWFLSA-N 418.581 6.479 0 1 HKAF COc1cccc([C@H]2CCCC[C@]23c2cccc(Br)c2CCN3C)c1 963269983 NDYWPDGFZYUAAQ-DENIHFKCSA-N 400.360 5.499 0 1 HKAF O=C(O)C[C@H](c1cccc(-c2cccc(OCC(F)(F)F)c2)c1)c1nccs1 1772608612 MHJKONJGXPAUDA-QGZVFWFLSA-N 407.413 5.358 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NC1CCOCC1 1857604355 NPLCTIRRQQRCRP-KUBAVDMBSA-N 411.630 6.760 0 1 HKAF CC[P@@](=O)(OC1CCC1)c1ccc2oc(-c3cccc(C(F)(F)F)c3)nc2c1 1911571586 XLAJOGACDUYSTD-MUUNZHRXSA-N 409.344 6.006 0 1 HKAF CC=C(CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356453648 GBBBJSKVBYJMBG-HQIMOVAUSA-N 412.702 7.801 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@@]21C 2356535998 MTLNAKDBXBYDNX-PHUNXMSYSA-N 412.702 7.779 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356688336 WGQQVYQFMINSIL-PIVUOEQUSA-N 414.674 6.504 0 1 HKAF CC(=CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)CO 2356689870 CLACDUUQGFRYIM-AALSTEHBSA-N 400.647 6.281 0 1 HKAF CCC=CC[C@@H](O)C=CC=CCC=CCCCCC(=O)c1c(O)cc(O)cc1O 2356797663 OGSHIPWCZJVZBH-LJQANCHMSA-N 400.515 5.322 0 1 HKAF C/C=C1\CO[C@](C(=O)NCc2ccccc2)(C(F)(F)F)C=C1C=C1CCCCC1 13828914 DYDNZRSXXCREEL-JWDVEQDXSA-N 405.460 5.397 0 3 HKAF FC(F)(F)c1cc(Cl)c2nc(-c3ccc(Cl)cc3)c(Cc3ccccc3)n2c1 72120521 GXSPXONWPFMDTO-UHFFFAOYSA-N 421.249 6.918 0 3 HKAF O=C(c1ccncc1)N1CCC2(CCCN(c3ccc(-c4ccccc4)cc3)C2)CC1 3955822 XENFBLDKZVBLLC-UHFFFAOYSA-N 411.549 5.271 0 1 HKAF CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214630 BZCDRGDJCUQWJB-DDKRZIBASA-N 422.569 5.273 0 1 HKAF CC(=O)O[C@@H]1/C=C(\C)[C@@H](OC(=O)c2ccc(O)cc2)C/C=C(\C)CCCC1(C)C 5382318 YUURXLYREVDXOP-HGZUKCIGSA-N 400.515 5.342 0 1 HKAF Oc1cc(NC[C@H]2CC[C@H]2NCc2ccc(Cl)c(Cl)c2)nc2ccccc12 13488731 YEBRQPZIOZJSRF-RDTXWAMCSA-N 402.325 5.228 0 1 HKAF O=C1[C@@H](c2ccc(Br)cc2)N(c2ccccc2)C(=O)N1c1ccccc1 13680130 SINARDTVFAFNRL-LJQANCHMSA-N 407.267 5.164 0 1 HKAF CCCN(CCCc1ccccc1OC)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 13741762 HXXAWZFROYWOFG-JOCHJYFZSA-N 404.554 5.191 0 1 HKAF Fc1ccc(CN2CCC(CCO[C@@H](c3ccccc3)c3ccc(F)cc3)CC2)cc1 13760756 MGESTBXJNHZBDQ-MHZLTWQESA-N 421.531 6.373 0 1 HKAF C(=C/c1cccs1)\CN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1 13778626 BUYNJSNQNMUAMF-NTUHNPAUSA-N 417.618 6.670 0 1 HKAF O=C(OCCN1CCCCCC1)C(c1ccccc1)(c1ccccc1)c1ccccc1 13864164 NOSBSFPKZVKPNR-UHFFFAOYSA-N 413.561 5.440 0 1 HKAF Cc1cc(-c2c(F)cc3c(=O)c(Cc4ccccn4)cn(C4CC4)c3c2F)cc(C)n1 25975925 OHDHPYWNOQEQQK-UHFFFAOYSA-N 417.459 5.279 0 1 HKAF COc1ccc([C@@H]2[C@@H](CCc3ccccc3)CC(=O)N2c2ccc(OC)cc2)cc1 26747469 UVJAYAHHKNFNAG-HFZDXXHNSA-N 401.506 5.431 0 1 HKAF Cc1ccc(-c2cc([C@@H](O)[C@@H]3CCCCN3)c3cccc(C(F)(F)F)c3n2)cc1 27523449 BFDAWTHIDDYAEE-SIKLNZKXSA-N 400.444 5.405 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C)C(C)C 28569416 ZFRLPKWDPDXIMP-FRNUHFATSA-N 410.686 7.577 0 1 HKAF in-vivo O=C(NCC1CCCCC1)c1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F 28645327 COHGAWYVUMIFCS-UHFFFAOYSA-N 412.843 5.203 0 1 HKAF O=C(c1cn(Cc2ccc(Cl)cc2)c2ccccc2c1=O)c1cccc2ccccc12 28864802 CEGOSFADOUDZAE-UHFFFAOYSA-N 423.899 6.087 0 1 HKAF O=Cc1cccc(OCCCCCCCCCCCCOc2cccc(C=O)c2)c1 34552738 OZAIQODDODLEJR-UHFFFAOYSA-N 410.554 6.670 0 1 HKAF COc1c(O)c(C)c(C/C=C(\C)CC/C=C(/C)C/C(C)=C/Cc2ccccc2)oc1=O 38210098 RVGXYJCOGNMRGK-XAFHVSQGSA-N 422.565 6.457 0 1 HKAF Cc1ccc(O)cc1CC[C@H]1[C@@H]2CC[C@H]([C@@H](C)/C=C/[C@H](C)C(C)C)[C@@]2(C)CC[C@H]1O 38559342 WPPVLVJCHIZUQE-WFNKTABJSA-N 412.658 6.921 0 1 HKAF CCN(CC)c1ccc(-c2ccc3cc(C(=O)c4cccs4)c(=O)oc3c2)cc1 71296348 PQVPXNNQPOAYJQ-UHFFFAOYSA-N 403.503 5.599 0 1 HKAF Cn1c2ccccc2c2cc([C@@H]3Nc4ccc(Cl)cc4[C@@H]4OCCC[C@H]34)ccc21 72115039 CEAWARRGYDKQEM-AYCKEJKLSA-N 402.925 6.619 0 1 HKAF FC(F)(F)c1ccccc1CNCc1coc(-c2ccc(Br)cc2)n1 72182080 ODFIERUZCCTJFD-UHFFFAOYSA-N 411.221 5.413 0 1 HKAF O[C@H](c1ccc(F)c(Cl)c1)c1nnc(Nc2cccc(OC(F)(F)F)c2)s1 82084133 DHCAXBCCRZKEHR-CYBMUJFWSA-N 419.787 5.055 0 1 HKAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2ccc(F)cc2)C1 82139588 IZVFZJYZIBWFPO-QZTJIDSGSA-N 412.553 5.026 0 1 HKAF Cc1ccc(CNc2ncc(-c3nc(C)c(C)s3)c(-c3ccc(F)cc3)n2)cc1 82164975 ZPZUIXCEQGOQBB-UHFFFAOYSA-N 404.514 5.944 0 1 HKAF C[C@H]1CCCC[C@@H]1Nc1ncc(-c2nc3ccccc3s2)c(-c2ccccc2F)n1 82175217 OQNPKBKEBSVSMF-KXBFYZLASA-N 418.541 6.550 0 1 HKAF COc1ccc(Oc2c(Cl)cnn(Cc3c(C)ccc4ccccc34)c2=O)cc1 95593950 VPJJXOLWXYVJPG-UHFFFAOYSA-N 406.869 5.208 0 1 HKAF CN1[C@@H]2CC[C@@H]1[C@H](c1cc(-c3ccc(Cl)cc3)no1)[C@H](c1ccc(Cl)cc1)C2 100862377 WHFIJZLIDVACTG-MHXAIHSWSA-N 413.348 6.382 0 1 HKAF CCC[C@@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1cccc(OC)c1)CCCC3 113123695 RBVCIOVXCDPCPA-GOSISDBHSA-N 409.551 6.127 0 1 HKAF Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc12 114715072 NOGAJAJFGKGKHA-UHFFFAOYSA-N 424.570 5.000 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 119266788 YYVUMXYSCXRWIL-ZAOMWHKLSA-N 416.690 6.584 0 1 HKAF in-man COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cncc(-c2ccccc2)c1 167767364 WLZXOFIILFOXKY-NRFANRHFSA-N 402.494 5.020 0 1 HKAF C[C@H](COc1ccc2sc3ccc(OC[C@H](C)CN(C)C)cc3c2c1)CN(C)C 169329226 BWDRDNWSMDGTGE-HDICACEKSA-N 414.615 5.208 0 1 HKAF C[C@H](c1cc(O)c2c(c1)OC(C)(C)C1=C2CNCC1)[C@H](C)CCc1ccc(F)cc1 169344083 HHTKRKGUAWUSKZ-SJORKVTESA-N 409.545 5.822 0 1 HKAF CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)[C@@H](c2ccnc3ccccc23)NC(=O)N1 206468343 REUVFOBMQUHYFX-JOCHJYFZSA-N 423.501 5.015 0 1 HKAF CC1=C(O)/C(=C/[C@@H](C)CCC/C=C(/C)CCc2coc(Cc3ccoc3)c2)OC1=O 238780531 AXEKDYZDPHMMNX-OTSOXRHMSA-N 410.510 6.421 0 1 HKAF CC(C)CN1CC=CCCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 254119931 MUPFBXXZGZFXEZ-UHFFFAOYSA-N 414.553 5.684 0 1 HKAF CCCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccccc1F 299878497 JELQPQNUDRRWPB-IIZJSDIPSA-N 424.564 5.295 0 1 HKAF O=C(O)c1ccccc1/C=C\c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586878164 AOUBSKBADVRZTM-WAYWQWQTSA-N 411.177 5.213 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4nc(C(F)(F)F)ncc4[nH]3)cc2)CC1 586879000 CIHZUKINXPRQBV-SHTZXODSSA-N 402.464 6.503 0 1 HKAF Cc1nc2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2cc1Br 587050333 INDNBHCZVAUAHR-UHFFFAOYSA-N 423.097 6.263 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587074266 UWLRETISEHINSN-UHFFFAOYSA-N 404.794 7.017 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587076704 ZRDQFQAQRVHQQM-UHFFFAOYSA-N 400.869 6.170 0 1 HKAF COc1cc(OC)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1C(C)=O 587099298 YDNHHUXGJGSSBQ-UHFFFAOYSA-N 423.468 5.641 0 1 HKAF Cc1nc(N2CCCCC2)ncc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106867 NXVZNRZUFMXIGR-UHFFFAOYSA-N 406.489 5.202 0 1 HKAF CCOc1cc(/C=C/c2nc3c(F)c(F)c(F)c(F)c3[nH]2)ccc1OC(F)F 587131037 UCQIYTIMMWYWMU-GQCTYLIASA-N 402.294 5.290 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3c(Cl)c(Cl)cnc3[nH]2)c(Cl)c1 587159906 XZYSLZSPWLBSQC-QGZVFWFLSA-N 422.674 6.226 0 1 HKAF Cc1c(F)ccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c12 587161515 TYGLDVLUBGNGDE-UHFFFAOYSA-N 416.225 5.766 0 1 HKAF CC(C)[C@H](c1nc2cc(Br)cc(F)c2[nH]1)N(C)C(=O)OC(C)(C)C 587197220 AYLOVXOCUPSYTG-CQSZACIVSA-N 400.292 5.029 0 1 HKAF Cc1ccc(C[C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587358915 YWVYGLMWXWKCBS-AHWVRZQESA-N 402.465 5.590 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1ccc(C(F)(F)F)cc1)O2 587380119 ASCZKBQENYDRHN-QFIPXVFZSA-N 415.386 5.644 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(SC)cc4)cc1O)[C@@H](C2)C3=O 587452320 OGLUYPDSUIIKQX-YADARESESA-N 404.487 5.278 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCOc3cc(Br)ccc31)CC2=O 587459590 YDWYIGJIUWRRTI-OAQYLSRUSA-N 417.299 5.141 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccnc1Oc1ccc(Cl)cc1)CC2=O 587461593 LGBSYRTUFQVITN-OAQYLSRUSA-N 409.869 5.892 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccc(OC)cc3)s1)CC2=O 587494681 NFHNGHOMGREJPR-XMMPIXPASA-N 408.519 5.962 0 1 HKAF O=C1C[C@@H](c2c[nH]nc2-c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 587496573 IOUJIOCPSDFYQQ-FQEVSTJZSA-N 423.310 5.425 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN(C(C)C)C(C)C 587501028 AVAURVWDRUMESS-SANMLTNESA-N 421.581 5.899 0 1 HKAF CCC[C@@]1(C2(c3ccccc3)CCNCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587524935 MPDAODSFDDVWIE-MHZLTWQESA-N 403.566 5.391 0 1 HKAF C[C@@]1(c2c(Cl)[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553243 UPINJRPYCYWHRJ-XXBNENTESA-N 405.837 5.404 0 1 HKAF CCOc1ccc([C@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587595162 JIFKACJQCUQCQO-DHLKQENFSA-N 402.446 5.058 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC2CCCC2)cc1O 587601625 UJKYTELTPDEMGB-WIOPSUGQSA-N 418.445 5.122 0 1 HKAF CCc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2ccccc12 587618917 VNJZMAIHSXYPJT-BWKNWUBXSA-N 400.430 5.578 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cccc2N2CCCC2)N1 587698706 ZUZHDLCDGMGIRV-FKIZINRSSA-N 423.757 5.465 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)[nH]c3ccccc23)N1 587702111 CZZDPJBYJYWCEE-APBUJDDRSA-N 407.714 5.521 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCC(F)(F)F)c2)N1 587712657 QATIDZDLYNGMES-BTDLBPIBSA-N 418.228 5.153 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccc(F)cc3)cs2)N1 587735942 RVRKWDOCTBYHLN-YPMLDQLKSA-N 421.310 5.474 0 1 HKAF CC[C@]1(c2ccc([C@H](C)OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795652 SAHRMLSGYIQKGD-DGCWBMGLSA-N 406.339 5.483 0 1 HKAF CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC 587801363 KRDKVOWFRNVQTK-ODXCJYRJSA-N 408.311 5.009 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)[nH]c2ccccc23)N1 587804654 RXNQOFINTDUMTF-JCQPUDPBSA-N 423.329 6.020 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)-c2ccccc2C3)N1 587815680 OQLSEEOFJQSUFR-JBEBIEQOSA-N 422.341 5.957 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1/C=C(/C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587816668 ZRPLXCFTMIBWOE-UMLPNSJNSA-N 420.410 6.666 0 1 HKAF CSc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 587844562 LMUSJKMQRSNVHQ-XTZNXHDOSA-N 414.771 5.761 0 1 HKAF CCCc1cc(C(=O)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)sc1C 587860771 CAEIZWCZMFKMOF-UHFFFAOYSA-N 423.365 6.267 0 1 HKAF CC/C(=C\c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccc(C)cc1 587966011 GAWUBQCRMSIKNJ-XYOKQWHBSA-N 409.249 6.603 0 1 HKAF CN1CCc2c(Br)cccc2[C@@]1(Cc1cccs1)c1cccs1 963281665 UNQQPARSSXPWSP-IBGZPJMESA-N 404.398 5.546 0 1 HKAF C[C@@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(F)c1)c1ccc2c(c1)CCC2 1911585361 GKDYNWNCAFBCMN-QGZVFWFLSA-N 419.544 5.218 0 1 HKAF CC(=O)O[C@H]1CC=C(C)[C@@H](CCC(C)=CCOc2ccc3oc(=O)ccc3c2)C1(C)C 2356384040 JKNIEMKYGWMWJI-VWNXMTODSA-N 424.537 5.822 0 1 HKAF COc1ccc2c3c(c(=O)oc2c1)[C@H](C)[C@](C)(CCC=C(C)Cc1cc(C)co1)O3 2356492951 GKKFSJKWTPVFGM-GKVSMKOHSA-N 408.494 5.927 0 1 HKAF c1ccc([C@@H]2CC[C@@H]3[C@H](O[C@@H]4CCC[C@@H]5[C@H](c6ccccc6)CC[C@@H]45)CCC[C@@H]32)cc1 2356704681 DDVDENDLNFMFHM-MGMVWNRASA-N 414.633 7.728 0 1 HKAF Cc1ccc2nc(-c3cccc(SC4CCCCC4)c3)c(NC3CCCCC3)n2c1 61959664 UYTGQUWGJQCNHZ-UHFFFAOYSA-N 419.638 7.479 0 3 HKAF Cc1ccn2c(NC3CCCCC3)c(-c3cccc(SC4CCCCC4)c3)nc2c1 61959712 MNKJDMNUQKIFGZ-UHFFFAOYSA-N 419.638 7.479 0 3 HKAF C[C@@H](NC(=O)c1cc2ccc(C(F)(F)F)cc2nc1N)c1cccc2ccccc12 203467034 LYAVZKKABSCBJV-CYBMUJFWSA-N 409.411 5.480 0 3 HKAF CC(C)[C@H](C)NC(=O)c1c(-c2ccccc2F)noc1-c1c(F)cccc1Cl 2485101 RZAORKJLCLAISB-LBPRGKRZSA-N 404.844 5.715 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1cccc(C(F)(F)F)c1)Oc1ccccc1-3 13777116 CTCHAYJBEBAVDT-XMMPIXPASA-N 421.462 7.462 0 1 HKAF CC(C)CC(=O)c1c(O)c2c(-c3ccccc3)cc(=O)oc2c2cc(C(C)(C)O)oc12 14616140 LCBIHGVAJHDTOY-UHFFFAOYSA-N 420.461 5.368 0 1 HKAF biogenic,in-vitro CCC(=O)N(c1ccccc1)C1(c2ccccc2)CCN(CCc2ccsc2)CC1 26507045 PTSOTSHUWYRLPI-UHFFFAOYSA-N 418.606 5.725 0 1 HKAF CC1=C(c2ccccc2)[C@H](c2ccc(OCCN3CCCC3)cc2)Oc2ccccc21 26960542 FRZILSRBKPFPEC-NDEPHWFRSA-N 411.545 6.226 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/C/C=C/CCC(=O)OC[C@H](O)CO 29045013 JWPHORDRFVRZPP-XOLRJINOSA-N 402.575 5.361 0 1 HKAF O=C1c2ccccc2[C@@](OCc2cccc(O)c2)(c2ccccc2)N1Cc1ccccc1 35064189 RYOPJZHGOZAKKS-NDEPHWFRSA-N 421.496 5.466 0 1 HKAF COc1ccc([C@H]2CC3(N4CCCCC4)CC(=O)C2[C@@H](c2ccc(OC)cc2)C3)cc1 40576379 LFLZLNYRDAENMG-NBONXQTHSA-N 419.565 5.179 0 1 HKAF Cc1cc([C@@H]2C[C@H](CN3CCCCC3)C(=O)N2C)sc1-c1ccccc1Cl 40861763 KBMKEQNMFXTFMO-APWZRJJASA-N 402.991 5.382 0 1 HKAF c1ccc(-c2csc(N3N=C(c4cc5ccccc5o4)C[C@@H]3c3ccccc3)n2)cc1 43020177 KLHRADXVBZIIDK-HSZRJFAPSA-N 421.525 6.912 0 1 HKAF COc1ccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)cc1-c1c(C)cccc1C 59570143 NTLYITJZTYVBSH-LJQANCHMSA-N 418.489 5.509 0 1 HKAF COc1cccc(NC(=O)c2ccc(-c3ccccc3)c(CN3CCCCC3)c2)c1 59570640 HPIMBUSDGNDQCE-UHFFFAOYSA-N 400.522 5.600 0 1 HKAF Clc1cccc(Nc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)c1 66166978 WVSDYHBOXBLHKH-UHFFFAOYSA-N 408.009 7.665 0 1 HKAF CCCCOc1ccc(NC(=O)C(Br)(C(F)(F)F)C(F)(F)F)cc1 68574024 IQVCMNGCEWQTHZ-UHFFFAOYSA-N 422.163 5.062 0 1 HKAF biogenic COc1ccc(Oc2cncc(NC[C@@]3(C)C[C@H](O)CC(C)(C)C3)n2)c2ccccc12 82068891 WAZNSSOJHBBVKK-NSYGIPOTSA-N 421.541 5.420 0 1 HKAF CC[C@@H](C)Nc1ncc(C(=O)N(CC)Cc2ccccc2)c(-c2cccc(C)c2)n1 82147760 VFXVHQPTHYLNJY-LJQANCHMSA-N 402.542 5.325 0 1 HKAF Cc1nc2cnccc2n1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 84617497 QYTDFOKICJWGHE-UHFFFAOYSA-N 410.565 5.599 0 1 HKAF O=C(Nc1cccc(F)c1)N1CCc2sccc2[C@@H]1c1ccc(C(F)(F)F)cc1 84654143 LJWFMELYNHKQCS-IBGZPJMESA-N 420.431 6.086 0 1 HKAF Oc1ccc(/C(=C(\F)c2ccccc2)c2ccc(OCCN3CCCCC3)cc2)cc1 95592937 JZZQVMQVTHPDJH-CYYJNZCTSA-N 417.524 6.143 0 1 HKAF O=C(Nc1cccc(-c2nc3c(Nc4ccccc4)ncnc3[nH]2)c1)c1ccccc1F 95601201 KLUKIMNZTLVJGG-UHFFFAOYSA-N 424.439 5.155 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O 96095571 VGZLGFZHNWXMPM-WMPRHZDHSA-N 414.674 9.114 0 1 HKAF in-vitro CC1=C(CC/C(C)=C/CC/C(C)=C/CCC2=CC(=O)O[C@H]2O)C(C)(C)C(=O)CC1 96921458 GLWQTMBDXUQDKL-LMJZEAJWSA-N 400.559 5.727 0 1 HKAF COc1ccnc(Nc2ccc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c2)n1 103248601 UYYQQVPZACXIGK-UHFFFAOYSA-N 410.688 5.768 0 1 HKAF CC(C)=CCC(=O)[C@@H](C)CCC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 138302304 RYPIDQSBZKCZIV-NMHVNUJCSA-N 412.614 7.243 0 1 HKAF COC(=O)N1CCC(c2cccnc2Oc2ccc(Nc3ccc(C)cn3)cc2)CC1 143106702 WFKITMQRYQVEDS-UHFFFAOYSA-N 418.497 5.267 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)NCC[C@@]43C)[C@@H]1CC=C2c1cncc(C(F)F)c1 144157166 ZWRJFDMIDFUTDP-LZDJTLFVSA-N 412.524 5.701 0 1 HKAF CCN(CC)[C@H](C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1F 150063557 VYDKEJWFXGLSCD-CYBMUJFWSA-N 410.514 5.657 0 1 HKAF CC(C)c1ccc2c(c1C(=O)C[C@@H](C(=O)NC1CCCCC1)n1ccnc1)CCCC2 169333880 XUMGYDVIUOIWRY-QHCPKHFHSA-N 421.585 5.148 0 1 HKAF COc1ccc(C(=O)Nc2ccc(Cl)cc2F)c(OCc2ccc(F)cc2F)c1 205742328 ASKGJRBFQSTJAA-UHFFFAOYSA-N 421.802 5.597 0 1 HKAF COc1cc2c(c(OC)c1-c1ccc3cc(C)cc(OC)c3c1O)[C@@H](C)N(C)[C@@H](C)C2 212480038 SJNZZGIFTLOUDH-JKSUJKDBSA-N 421.537 5.484 0 1 HKAF CC[C@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 238745133 LXKSWJFJHIURPU-KRIFSAEUSA-N 402.707 7.859 0 1 HKAF COc1c(CC=C(C)C)c(O)cc2c1[C@@H]1Oc3c(CC=C(C)C)cccc3[C@]1(O)CO2 238769113 RVMXTZWFKVXQMJ-IZZNHLLZSA-N 422.521 5.132 0 1 HKAF C[C@@H](C(=O)NCCc1c[nH]c2ccc(O)cc12)c1cccc(Oc2ccccc2)c1 299823770 USGJSQAQVXFMSB-QGZVFWFLSA-N 400.478 5.128 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/c3cccc([C@@H](O)CCO)c3)CCC[C@@]21C 299824060 AISLJKGYGMGVKF-PHSFFCENSA-N 412.658 7.165 0 1 HKAF CCCC1(c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)CCC1 586877504 BGAKQBIDSHLJBX-UHFFFAOYSA-N 401.432 6.056 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(S(N)(=O)=O)cccc4[nH]3)cc2)CC1 586880660 OYSKXEOPHAPQFM-QAQDUYKDSA-N 411.571 5.341 0 1 HKAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 586887868 JKUFREXPGQAFCP-QFYYESIMSA-N 413.237 5.490 0 1 HKAF CCOc1cc(/C=C/c2nc3cc(C)c(F)cc3[nH]2)cc(Br)c1OC 586977252 DLFSEBNHDUZFSS-AATRIKPKSA-N 405.267 5.351 0 1 HKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 586983251 XMPBZMBFWAZAFN-CYBMUJFWSA-N 419.294 5.535 0 1 HKAF Cc1c(Br)ccc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c12 587051695 SXKKZHSWZOJFDX-UHFFFAOYSA-N 406.711 5.549 0 1 HKAF Fc1ccc(/C=C(/c2nc3ccc(CN4CCOCC4)cc3[nH]2)c2cccs2)cc1 587162525 CPFKIPRZVIAOMO-XSFVSMFZSA-N 419.525 5.185 0 1 HKAF Fc1ccc2[nH]c(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c(Cl)c2c1 587174022 CFJDDXZDRPEDPA-UHFFFAOYSA-N 404.701 5.553 0 1 HKAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 587240371 IQEKQWJOVBJTRP-UHFFFAOYSA-N 409.364 5.181 0 1 HKAF C[C@@]1(c2c(F)cc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337378 VKPKNFQBAQPFCZ-DENIHFKCSA-N 418.798 5.737 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C34CC5CC(CC(C5)C3)C4)ccc1O)O2 587404517 RIACSATWCXAKHV-IRSWCRBASA-N 403.522 5.457 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4c(F)cccc4Cl)c1)[C@@H](C2)C3=O 587424505 OPGZADZJWMLTHU-XDHUDOTRSA-N 424.855 5.555 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1ccc(Cl)cc1Cl)(CC(C)C)CC2=O 587463487 XLOHVBXEFZOJTN-QHCPKHFHSA-N 421.364 6.644 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC(=O)c3ccccc3)c1)CC2=O 587482035 RBEGEOKYDSTUIR-HSZRJFAPSA-N 402.446 5.270 0 1 HKAF Cc1ccc(-c2nc3ncccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587516311 VWQHFEQDWMYIKM-QHCPKHFHSA-N 423.516 5.598 0 1 HKAF COc1cccc(Sc2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587534418 ZCAOLVQVPIHJDO-DEOSSOPVSA-N 416.542 6.432 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)cc(Cl)cc1Cl 587544694 NIXGQSAXROJCSN-XLIONFOSSA-N 403.217 5.108 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(Cl)c(Cl)c1 587557823 OSCPKAPNLFEEJI-JXFKEZNVSA-N 405.208 5.541 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(Cc3ccccc3F)c(Sc3cc(C)ccc3C)c2c1 587640916 GNXOJDHTONQXBT-GOSISDBHSA-N 417.593 8.179 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C(=C/N(C)C)c2ccc(Cl)cc2)N1 587695647 BYGQHYWQRWDWCF-FVTAWYKXSA-N 423.757 5.420 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(C(F)(F)F)N1 587712165 ZSGVPUXRDUPNTA-JDNHERCYSA-N 422.647 5.582 0 1 HKAF CC(C)[C@]1(c2ccc(OCCF)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587713223 CMOUFCKYSNPVIL-LHSJRXKWSA-N 424.329 5.370 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2SC(F)(F)F)N1 587714500 ABNPYZNYQJHLCX-JDNHERCYSA-N 420.269 5.824 0 1 HKAF COc1c(F)cc(F)cc1CC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587714687 AZZYJULDMJSFCG-YPMLDQLKSA-N 414.265 5.083 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccc(F)cc12 587727816 DOFYPYIWYVGGCI-IPQOISQHSA-N 412.277 5.534 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)c2ccccc2n3C)N1 587760312 XRKBUOYDHZLQSE-NPMABZOXSA-N 423.329 5.857 0 1 HKAF Cc1cccc(N2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)c1C 587770672 SMTWEKLBZCBJAA-HNNXBMFYSA-N 417.366 5.235 0 1 HKAF Cc1ccc(-c2cnc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1C 587776542 XVAMIZTWWUXMHU-XCLFUZPHSA-N 415.306 5.484 0 1 HKAF CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(C)C 587790674 HGORUSOCLGFBFT-LRTDBIEQSA-N 422.338 5.398 0 1 HKAF COc1cc2ccccc2cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587812537 ZXPHJMCRUCAVLB-LAJNKCICSA-N 400.291 5.374 0 1 HKAF Cc1ccc(-c2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587826884 GLNOIEDBOBJSOK-LAJNKCICSA-N 400.291 5.780 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc(Cl)s2)N1 587846585 IDTBZFBEVJNBDW-QGHHPUGFSA-N 402.760 5.685 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2c(s1)CC[C@H](C)C2 587864647 QXJXEJMHPQPULT-LBPRGKRZSA-N 420.456 5.452 0 1 HKAF COc1ccc([C@H](c2ccccc2)c2nc3cc(Br)c(F)cc3[nH]2)cc1 587938025 RVXDGJGYZYEFCV-FQEVSTJZSA-N 411.274 5.653 0 1 HKAF COc1ccc2c(c1)[C@@](CC(C)(C)C(=O)O)(c1ccc(C)c(C)c1)N(C(C)C)CC2 962094064 RGUHFUSXBKBMOA-AREMUKBSSA-N 409.570 5.323 0 1 HKAF CC(C)c1ccc([C@H]2CCCC[C@]23c2ccsc2CCN3Cc2ccco2)cc1 962705243 KQHWRVRSBZDUDQ-ZEQKJWHPSA-N 405.607 7.076 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(-c3ccccc3C(=O)OC)cc2)N1 962938897 AKPAOHAZQCVWAQ-UQBPGWFLSA-N 410.517 5.635 0 1 HKAF FC(F)(F)c1cccc2c1[C@H](c1ccccc1OCC1CC1)NCC21CCOCC1 962960087 RQDIFPFJMIHBBP-QFIPXVFZSA-N 417.471 5.235 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cnn(-c3ccc(Br)cc3)c2)N1 962961356 UOHICTOSTZRUQT-IERDGZPVSA-N 421.342 5.130 0 1 HKAF COc1cccc2cc3c(nc12)[C@@](c1ccc(C)cc1)(c1cccc(Cl)c1)NCC3 963046961 NDXPHVZOCPEJBS-AREMUKBSSA-N 414.936 5.643 0 1 HKAF O=C(O)CC[C@]1(c2ccc(C(F)(F)F)cc2)NCCc2c(Cl)cc(Cl)cc21 963118339 FMGLDRIKKLNEHE-GOSISDBHSA-N 418.242 5.266 0 1 HKAF CCc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2c2ccc(-c3ccccn3)cn2)o1 1857766380 NHHRBPPKGDWNCH-MHZLTWQESA-N 420.516 5.932 0 1 HKAF CC(=CCC=C(C)CCC(=O)c1ccoc1)CCC[C@H](C)C=C1OC(=O)C(C)=C1O 2356306947 UWSLJFNKQQLOEZ-IBGZPJMESA-N 412.526 6.604 0 1 HKAF CC1=C(C(C)C)[C@H]1C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356615459 HBUXJBGKOKXRBP-WMRIOVFSSA-N 410.686 7.555 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCCO[C@@]1(C)CCc2cc(O)cc(C)c2O1 2356718657 BTNBMQIHCRIGOU-HHHXNRCGSA-N 412.614 7.568 0 1 HKAF O=C(Nc1ccc2ccccc2c1)N[C@H]1CCCCN(Cc2cccc(Cl)c2)C1=O 199358732 SIWSHIWFZIWWPP-QFIPXVFZSA-N 421.928 5.196 0 3 HKAF NC(=O)c1ccc2[nH]c(-c3ccc4nc(-c5ccc6ccccc6c5)[nH]c4c3)nc2c1 13652033 FYKAFTYDQTWCIZ-UHFFFAOYSA-N 403.445 5.025 0 1 HKAF Cc1cccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)sc2-c2ccncc2)c1 13673418 WOZKSDHVBUBBLG-UHFFFAOYSA-N 406.532 5.251 0 1 HKAF CCC(CC)Oc1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br 13794897 SWKNHIMCVRGEAX-UHFFFAOYSA-N 417.351 5.577 0 1 HKAF CC[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@H](O)c1cc(-c2ccsc2)nc2ccc(OC)cc12 26579994 CCUUAAWNWMSJJT-KQACMCHDSA-N 408.567 5.126 0 1 HKAF CCOC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1ccc(Br)o1 28224733 VESBZRJBJLZCSY-UHFFFAOYSA-N 410.651 5.123 0 1 HKAF CCn1c2ccccc2c2cc(S(=O)(=O)Nc3ccc(Cl)nc3Cl)ccc21 28702594 YZUHECQLAAYHFW-UHFFFAOYSA-N 420.321 5.317 0 1 HKAF O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc2nc(C(F)(F)F)[nH]c12 38389252 XYUBWZQJSZMHLF-UHFFFAOYSA-N 422.716 5.898 0 1 HKAF C[C@@H](Cc1ccc(Oc2ccccc2)cc1)NC[C@H](O)c1cccc(C(F)(F)F)c1 45227046 VEMKGZQACSFDPC-SBUREZEXSA-N 415.455 5.752 0 1 HKAF COc1ccc(Oc2ccccc2CNCC2CCN(CC3CCCCC3)CC2)cc1 45230619 NAJTYBGWEYYAAY-UHFFFAOYSA-N 422.613 5.869 0 1 HKAF O[C@](c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1ccccc1Cl)C(F)(F)F 49113321 DYFMSSLEGYQXOR-HXUWFJFHSA-N 420.793 5.616 0 1 HKAF Fc1ccc(F)c(-n2c(-c3cccc(Cl)c3)nn(CN3CCCC3)c2=S)c1 66100783 QWHONDCGNQWVMZ-UHFFFAOYSA-N 406.889 5.055 0 1 HKAF C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@@H]2CCN(C(=O)c3ccccc3)C[C@@H]21 73158228 MSNQMTTUFQUCKG-SIXWZSSISA-N 412.455 5.625 0 1 HKAF Cc1oc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccco2)nc1-c1ccccc1 82165392 LHBWQFGUNZPENH-OXJNMPFZSA-N 414.509 6.358 0 1 HKAF Cc1ccc(CNc2nc(-c3cccc(C)n3)c(-c3ccc4ncnn4c3)s2)cc1 84739926 ZIFZTQMNCSFVKL-UHFFFAOYSA-N 412.522 5.144 0 1 HKAF COC(=O)c1ccc(COc2ccc(/C=C3\C(=O)Nc4ccc(Cl)cc43)cc2)cc1 95558980 KQROASLDDHODIU-MTJSOVHGSA-N 419.864 5.198 0 1 HKAF Cc1ccc(Cn2nc(-c3nc4cc(-c5ccc(Cl)cc5)ccc4[nH]3)cc2C)cc1 95563781 ZABGYSAZFSNLAY-UHFFFAOYSA-N 412.924 6.412 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1=CCc2cc(C(=O)O)ccc2OC1 96085355 URXNJUNXUWLMAY-KZVLYIKRSA-N 408.582 7.446 0 1 HKAF in-vitro CC1(C)CC2=Nc3nc(SCc4ccccc4)nn3[C@@H](c3ccccc3)C2=C(O)C1 100704883 KJAORBFMHQPLND-NRFANRHFSA-N 416.550 5.878 0 1 HKAF O=S(=O)(c1ccccc1)N(CC1CCCCC1)c1sc2ccccc2c1Cl 115228119 WMXZKRPQUAEFHR-UHFFFAOYSA-N 419.999 6.330 0 1 HKAF O=S(=O)(c1cccc(F)c1)c1cnc2c(F)cccc2c1-c1cccc(Cl)c1 115922756 MRMJIGZJCFTUGY-UHFFFAOYSA-N 415.848 5.666 0 1 HKAF Cc1cc(SCc2nc3ccccc3o2)nc(SCc2nc3ccccc3o2)n1 169308884 QFSCVBZVWJDNJS-UHFFFAOYSA-N 420.519 5.652 0 1 HKAF C[C@]12CC[C@H]3[C@H](CN=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)c1c(F)cccc1F 169714170 ZVOZPZBEWNXSAO-OHULOVGSSA-N 413.508 5.420 0 1 HKAF CC[C@H]1CC(=O)[C@@H]2C(=NC(C)=C(C(=O)OC)[C@@H]2c2ccc(-c3ccccc3)cc2)C1 169728320 FHKDTGWGHCMOOQ-XATISFHKSA-N 401.506 5.344 0 1 HKAF Clc1ccc(OCc2nc3cc(Cl)c(Cl)nc3[nH]2)c(Br)c1 586978013 WNGPJVQVIAOZQC-UHFFFAOYSA-N 407.482 5.260 0 1 HKAF O=C1c2ccccc2-c2c(Cc3ccc(Cl)c(Cl)c3)cnc3ccc(O)c1c23 586987029 XTOMAUQZXVNZRM-UHFFFAOYSA-N 406.268 6.049 0 1 HKAF CC(=O)[C@@H](C/C=C\c1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990707 FIKUAEAJYLSVHG-JNLAIUADSA-N 419.480 5.928 0 1 HKAF Nc1c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)sc2cc(Br)ccc12 587032219 RXTKVGWLRCUPGX-UHFFFAOYSA-N 413.222 5.203 0 1 HKAF Clc1cc(Br)c2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2c1 587033528 WTWGLALKVALORB-UHFFFAOYSA-N 418.747 5.987 0 1 HKAF FC(F)(F)c1cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c(Br)cn1 587114543 DZIGWORVOPGJPP-UHFFFAOYSA-N 411.996 5.108 0 1 HKAF CCOc1cc(/C=C/c2nc3cc(Br)c(C)nc3[nH]2)ccc1OC(F)F 587130354 KZKAAGQYJAHSDF-FNORWQNLSA-N 424.245 5.199 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)c1 587158043 HUGQGSLCQIKQEM-UHFFFAOYSA-N 402.256 5.670 0 1 HKAF C[C@]1([C@@H]2C[C@H]2c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331570 HYRRRWWQPVSKJS-KWLZBDKBSA-N 406.428 5.592 0 1 HKAF COc1ccc(Cl)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334527 UZVIMMNBUWTRAL-FYYLOGMGSA-N 412.844 5.468 0 1 HKAF Cc1ccc([C@@H]2CCC[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 587353641 LNHHQCCNXKDENM-GGBSJPMNSA-N 402.465 5.905 0 1 HKAF Cc1cc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)oc2cc1C 587353887 OBZYSODLUWAPJA-AOYPEHQESA-N 416.448 6.169 0 1 HKAF COc1cccc(-c2cc(-c3ccc(F)c4ccccc34)nc3c2oc2ccccc23)c1 587360611 QOCCLQNRFMPOGV-UHFFFAOYSA-N 419.455 7.616 0 1 HKAF COc1ccc(-c2csc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)n2)c2ccccc12 587413052 LQEDTDPCZRJTRP-JOCHJYFZSA-N 416.502 5.569 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(COc4cccc(Cl)c4C)o1)[C@@H](C2)C3=O 587422587 QTNZZXBAGWUGJU-HJPURHCSSA-N 410.853 5.318 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)CC2=O 587470484 OITJCPOIDCRHIR-BRWVUGGUSA-N 417.546 5.152 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C=O)cc3)cc1O)CC2=O 587478723 BPVZUFXDSDIWDF-XMMPIXPASA-N 402.446 5.236 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@]1(CCC(=O)O)c1ccccc1)CC2=O 587490006 PXTYNNPEODSUFO-UIOOFZCWSA-N 422.521 5.426 0 1 HKAF O=C1C[C@](CCF)(c2ccccc2Br)Oc2c1ccc1c2CCCC1 587502402 DXKSWRWGLLDMJZ-OAQYLSRUSA-N 403.291 5.548 0 1 HKAF C[C@]1(c2cc(F)c(Cl)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554000 CGLZZKSJQRZNIQ-WIYYLYMNSA-N 402.780 5.201 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(F)cc1 587574052 YKUVMRUWYPITGF-QPPBQGQZSA-N 401.393 5.025 0 1 HKAF CCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCC)c1 587597242 QGIAXOMNTFQFRI-WIOPSUGQSA-N 420.461 5.067 0 1 HKAF COc1cccc([C@@]2(C(C)(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587599897 IQZPRPOTKLFUPV-PXDATVDWSA-N 404.462 5.304 0 1 HKAF Fc1cccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(-c3ccnc4ccccc34)c12 587633560 GRGRQNBSFGKNGM-UHFFFAOYSA-N 406.382 7.208 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)cc2Cl)N1 587713124 RQWHEVSMMVOCBG-BCTVWOGZSA-N 422.647 5.884 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1cc(F)ccc12 587729700 HMVQUWZENXKSEF-IPQOISQHSA-N 412.277 5.534 0 1 HKAF CC(C)[C@]1(CC(=O)Nc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587745098 UQBFLQWHBXVFEH-QKKBWIMNSA-N 419.338 5.003 0 1 HKAF CCOc1ccc2[nH]cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587800157 APJIJGDIJGOOTA-YBTHPKLGSA-N 403.295 5.092 0 1 HKAF COc1ccc2ccccc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587805040 CXNDYDBHIBSLAZ-LAJNKCICSA-N 400.291 5.374 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1/C=C\[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587813421 CKFVWDXWVKLMIN-YAEXPLKPSA-N 406.383 6.276 0 1 HKAF Cc1cccc(-c2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 587820079 OPAMTGKNFQUTNB-NPMXOYFQSA-N 410.330 6.187 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2Cc2ccccc2)N1 587824771 YKVZHWHODRWPIJ-QRFQSNJMSA-N 402.351 5.751 0 1 HKAF Cc1ccc([C@]2(c3ccco3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587825501 ACCVFJUWHKZYMV-NYHFZMIOSA-N 414.318 5.624 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(Cc3cn4ccccc4n3)n2)cc1 587923028 LWMNRDUPJNGOEK-UHFFFAOYSA-N 424.504 6.336 0 1 HKAF Cc1cc2c(n1Cc1nc3ccccc3n1Cc1cccc(F)c1)CC(C)(C)CC2=O 587946485 VRBIGHMPXFJWTP-UHFFFAOYSA-N 415.512 5.537 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(C(=N)N)cc2[nH]1 587948638 GXPICYHCYAQZCO-ULYRPOKDSA-N 418.541 5.132 0 1 HKAF Ic1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c1 587961673 NHYNQQWHXBJUBX-UHFFFAOYSA-N 410.258 5.425 0 1 HKAF CSc1nn2cc(-c3cc4c(OCc5ccc(F)cc5)cccc4o3)nc2s1 653762268 UPUUKKSAQIAPKQ-UHFFFAOYSA-N 411.483 5.644 0 1 HKAF COc1cc(F)ccc1Nc1ncnc2sc3c(c12)CCN(Cc1ccccc1)C3 1857548526 JQXWAHWMFCOUSB-UHFFFAOYSA-N 420.513 5.141 0 1 HKAF O=COCCCCCCCCCCCCCCCCOC(=O)c1ccc(O)cc1O 1857767052 HEHXKHFWIJHLDB-UHFFFAOYSA-N 422.562 5.889 0 1 HKAF CC(C)c1onc(-c2ccccc2)c1COc1ccc(CCCCCC(=O)O)cc1 1911574961 KAQXIJBXKXQTCR-UHFFFAOYSA-N 407.510 6.232 0 1 HKAF C[C@@H](CC[C@@H](C)[C@@H](C)CO)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2356307226 PNSWSBWRTBNWNG-FRNWDETMSA-N 402.707 7.716 0 1 HKAF CC(=CCN1[CH]N(C)c2c(N)ncnc21)CC[C@@]1(C)[C@@H]2CCC=C(C)[C@]2(C)CC[C@H]1C 2356322011 OHUBPGRYFJQQCJ-DYCBMTEISA-N 422.641 5.960 0 1 HKAF CC(C)=CCc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3C2)cc2c1OC(C)(C)C=C2 2356479890 HQBQVBRNEMTVHN-LJQANCHMSA-N 404.506 5.703 0 1 HKAF CC(C)=CCN1c2cc(Br)ccc2[C@@]2(CC=C(C)C)CN(C)O[C@@]12C 2356580820 AYBQLLURTWTJFL-NHCUHLMSSA-N 405.380 5.423 0 1 HKAF CCCC[C@@H]1CC[C@@](CCc2ccc(O)c(OC3CCCC3)c2)(OC(C)=O)C[C@H]1O 2356770215 AODKBWKXEGJSHL-QFZRFWILSA-N 418.574 5.299 0 1 HKAF Cc1cc2nc(C3CCCCC3)c(Cc3ccsc3)n2c(C)c1Br 95566773 JCGYCVRCOAZTSB-UHFFFAOYSA-N 403.389 6.414 0 3 HKAF CC(C)(C)c1ccc(/C=C(/C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)cc1 13606882 ZJIDHFOJKAKUDL-HAVVHWLPSA-N 413.517 5.935 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5oc(C(=O)c6ccccc6)cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 13651822 QQZREEIDGFPMCP-ZPLHEMQOSA-N 418.577 5.829 0 1 HKAF CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1C 13759978 NUSQOCWUWFLVKD-UHFFFAOYSA-N 413.780 6.424 0 1 HKAF CCC/C=C/C[C@@H]1C/C=C/C=C(C)/C=C/C=C\[C@H](O)[C@@H](O)/C=C(C)/C=C/C=C/C(=O)N1 14261550 ALYLZDHKQZUVDF-QMEBMXBESA-N 423.597 5.017 0 1 HKAF in-vivo COc1cc(O)cc(O)c1C(=O)[C@@H]1[C@H](CC=C(C)C)C(C)=CC[C@@H]1c1ccccc1 14636851 DIHCGASLQARQMP-PQNGQFLHSA-N 406.522 6.012 0 1 HKAF biogenic O=C(O)COc1cccc2c1CC[C@@H](CCOC(c1ccccc1)c1ccccc1)C2 26019825 CEMBDAWWHLBIGR-FQEVSTJZSA-N 416.517 5.451 0 1 HKAF CN(C)C(=O)Oc1ccc2c(-c3ccccc3)c(Cc3ccc(F)cc3)c(=O)oc2c1 26484892 VRCXYRXMERQSEQ-UHFFFAOYSA-N 417.436 5.250 0 1 HKAF CC/C(=C(\c1ccc(S)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 26570715 AGFVAKICWAXGEH-OCEACIFDSA-N 403.591 6.285 0 1 HKAF c1ccc2nc(COc3ccc(CCC4(Cc5nnn[nH]5)CCCC4)cc3)ccc2c1 26721733 XCUTWBWDDQNSEQ-UHFFFAOYSA-N 413.525 5.063 0 1 HKAF CC[C@@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4ccc(F)cc4)oc3C)ccc21 28565545 HOLWSQOWERGNCR-IRLDBZIGSA-N 423.484 5.551 0 1 HKAF COc1ccc(CN2CCN(Cc3ccc(OC)cc3)C2c2ccc(Cl)cc2)cc1 29131641 YDBJWAPWFWLWPM-UHFFFAOYSA-N 422.956 5.374 0 1 HKAF O=C(c1cc2ccccc2o1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 71318314 CGABLJPVGRRMSW-NRFANRHFSA-N 402.400 5.703 0 1 HKAF CCCCCCC(C)(C)c1cc(OC)c(C2=C[C@H]3CC[C@]2(CO)C3(C)C)c(OC)c1 72315126 ORJLSGKGXZBYAI-XHCCPWGMSA-N 414.630 6.764 0 1 HKAF Cc1c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)nc2)[nH]c2ccccc2c1=O 84653289 NMHZECJOVJTWIT-UHFFFAOYSA-N 412.367 5.589 0 1 HKAF Cc1cc(OCCCc2c(C(=O)O)sc3cccc(Cl)c23)cc(C)c1Cl 95593754 FHXIXEGPMANBQN-UHFFFAOYSA-N 409.334 6.535 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 95913673 AOQRDALGACAKHI-DWNVUQAXSA-N 414.718 7.881 0 1 HKAF O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1ccc3ccccc3n1)CC2 96173198 KZAXTADHTDIFNK-UHFFFAOYSA-N 424.548 5.125 0 1 HKAF C[C@@]1(O)c2ccccc2-c2c1c(OCC(F)(F)F)nc1ccc(Br)cc21 96907756 AGXZVUJKDXDVNA-GOSISDBHSA-N 424.216 5.175 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccccc3Cl)cc2)cc1 100101268 RPJYCMMTUBKVMB-BKFWDETESA-N 417.940 5.287 0 1 HKAF C[C@H]1[C@@H]2CC[C@H]3[C@@H]4CC=C(c5cncc(C(F)F)c5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC[C@H]1O 141919831 RBGBTXNNGSQRNJ-KTGJWCFPSA-N 415.568 6.662 0 1 HKAF CC[C@H](C)c1cc(/C=C/c2ccccc2)cc([C@@H](C)CC)c1OC[C@@H](O)CNC(C)C 169318881 VSILICXEBYOFHJ-HLLRKGJXSA-N 423.641 6.622 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](OC(=O)c3ccccc3Cl)CCC[C@@]21C 169342814 GOSCMCLEYLKGNT-UQXUXCPKSA-N 405.022 7.544 0 1 HKAF COc1ccc(/C=C2\OC(=O)C(Cc3cc(Cl)c4c(c3)OCO4)=C2C(C)C)cc1 238740250 GNRHIDBFAWGJDI-GRSHGNNSSA-N 412.869 5.170 0 1 HKAF OC[C@@H]1CCCN1CCCCCCCCCCCCCCCCN1CCC[C@H]1CO 254025708 SGFWBTCKZOSALB-UIOOFZCWSA-N 424.714 5.361 0 1 HKAF Clc1ccc(-c2ccc(-c3nccn3-c3ccc([C@H]4CCCCN4)cc3)o2)cc1 299823901 AYOKKAGQVOATKD-OAQYLSRUSA-N 403.913 6.267 0 1 HKAF CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC 299878874 JWXIQYLENFIWIA-XPNIBREUSA-N 424.585 5.377 0 1 HKAF FC(F)(F)c1cccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586986089 VQAFEVSFOSFBKE-QGZVFWFLSA-N 424.264 5.529 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5cc(C)cnc5[nH]4)c23)cc1 587038164 MBWRZGXJWRRZKK-UHFFFAOYSA-N 403.536 5.539 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(F)c(C)c5[nH]4)c23)cc1 587039552 VBKLPVDTLGAAMF-UHFFFAOYSA-N 420.538 6.283 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(Br)cnc4[nH]3)c2)c1 587051186 YIOIDBGVRLPQDT-UHFFFAOYSA-N 412.674 5.520 0 1 HKAF FC(F)(F)Oc1cc(Br)c2[nH]c(CCc3ccccc3Cl)nc2c1 587060059 ZWQKYVZYCUMPQQ-UHFFFAOYSA-N 419.628 5.663 0 1 HKAF FC(F)(F)c1cccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 587063442 NICIDRDKFRUQCM-UHFFFAOYSA-N 402.803 6.481 0 1 HKAF COC(=O)c1cc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cn1 587071944 NVIMRVDDKCLVNL-HNTXVCKUSA-N 416.308 5.417 0 1 HKAF CCc1c(-c2ccc3c(c2)OCCO3)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587103002 UOICXCSXYDDLCU-UHFFFAOYSA-N 407.469 5.755 0 1 HKAF CCOC(=O)COc1ccccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107171 QBWWPYISBPLZAQ-UHFFFAOYSA-N 409.441 5.055 0 1 HKAF Fc1cc(Br)cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 587116055 LOBIKBYPYRSLRK-UHFFFAOYSA-N 411.156 5.094 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1F 587151866 VBOWWXGFIPENMQ-IBGZPJMESA-N 422.328 6.167 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)c1 587159781 YIKXTCKQKHIVJW-UHFFFAOYSA-N 416.374 5.867 0 1 HKAF CCc1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 587165404 ALSSXBUIJXVXTR-UHFFFAOYSA-N 411.484 5.602 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@@H](C)Oc4ccc(F)cc4)[nH]c3c2)cc1 587169458 WUTIUKYTRBONKN-CQSZACIVSA-N 406.413 5.421 0 1 HKAF C[C@H](CSc1ccc(F)cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587170877 VEPQJKMCULLWCY-SECBINFHSA-N 405.367 5.647 0 1 HKAF Cc1cc(=O)oc2cc(OCc3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)ccc12 587208653 DDLZHCPASSQMEP-UHFFFAOYSA-N 419.436 5.440 0 1 HKAF CC1(C)CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587354501 QVUQSMTZQPNYFP-ZEQKJWHPSA-N 402.465 5.857 0 1 HKAF COc1cccc(-c2cc(-c3cc(C)c(C)cc3Cl)nc3c2oc2ccccc23)c1 587359381 XYAADMVSJXLZFR-UHFFFAOYSA-N 413.904 7.594 0 1 HKAF COc1cccc(-c2cc(/C=C(\C)Nc3ccccc3)nc3c2oc2ccccc23)c1 587362730 LQEWBDLEXIIKLH-OBGWFSINSA-N 406.485 7.130 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccc4Br)cc1)[C@@H](C2)C3=O 587413359 MYYFXBZPBTXFQF-MBSDFSHPSA-N 421.290 5.613 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(C(C)(C)C)[nH]c4ccc(C(C)C)cc14)[C@@H](C2)C3=O 587437092 DAEFSQPKJIUHGQ-MHECFPHRSA-N 403.522 6.086 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1c1ccc(C(F)(F)F)cc1)CC2=O 587464616 UPYBIOPPWSYHRK-AUSIDOKSSA-N 418.455 6.425 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(Br)ccc(Cl)c1F)CC2=O 587465075 AICFVHAPZOIIJJ-HNNXBMFYSA-N 413.670 5.606 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3cccc(OC)c3)cc1)CC2=O 587482110 RYGUTPFWRFCUOL-SANMLTNESA-N 402.490 5.901 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccccc3)nc3sccn13)CC2=O 587498398 GWWCMHIGGXRGAP-LJQANCHMSA-N 404.491 5.427 0 1 HKAF O=C1C[C@H](c2ccc(Oc3ccccc3F)c(F)c2)Oc2c1ccc1c2CCCC1 587503444 GWAVSHILSUDSRR-XMMPIXPASA-N 406.428 6.342 0 1 HKAF O=C1C[C@@]2(CC[C@H]2c2ccccc2OCc2ccccc2)Oc2c1ccc1c2CCCC1 587523660 LWNRKMQSXNKWHG-ABYGYWHVSA-N 424.540 6.426 0 1 HKAF CC[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587548945 PAAQJEOZKMCKRJ-UGKGYDQZSA-N 414.379 5.678 0 1 HKAF CCCOc1c(OCC)cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593883 FSZJNTWLFMJFNY-BWKNWUBXSA-N 420.461 5.283 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2)s1 587616051 YTEMTSWJPPFUBC-XUZZJYLKSA-N 400.455 5.824 0 1 HKAF Cc1ccc([C@]2(c3ccco3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587616818 MHZWGCXZFZLWLA-JYFHCDHNSA-N 412.441 5.507 0 1 HKAF CCOC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2c(C)cc(Cl)cc12 587624182 ZICCMGJQQAKLFP-UHFFFAOYSA-N 406.707 5.665 0 1 HKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1Cc1cccc(OC(F)(F)F)c1 587659013 XGUPJFXOWFRJBK-UHFFFAOYSA-N 414.358 5.150 0 1 HKAF COc1cc(Cl)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587691578 GOZWYNXZMDOTOK-QPFGOUBPSA-N 419.121 5.527 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C(=C\N(C)C)c2ccc(Cl)cc2)N1 587705248 YCBWQCVHHKUTFI-XDRHSVMASA-N 423.757 5.420 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(F)(F)F)c2F)N1 587711883 MZYUCHLFOVCORL-PWJLMRLQSA-N 406.192 5.370 0 1 HKAF Cc1ccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587742323 QRYMINDJBPHHIM-PBTPNVJISA-N 417.366 5.058 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C1CCCCC1 587751668 NMDPBYPSBPOQNJ-DMZKTXOQSA-N 419.382 6.135 0 1 HKAF CC(C)Cn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587756815 MHXBKKXOUUYKAM-FPTDNZKUSA-N 415.350 5.823 0 1 HKAF CCCCCOc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587795202 QXWLIWOPUUEQDA-SZNDQCEHSA-N 406.339 5.781 0 1 HKAF Cc1[nH]c2c(C)ccc(C)c2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587805976 UECKXTYLVVKWFA-QKVFXAPYSA-N 401.323 5.618 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccc(O)cc2)N1 587834537 SDWQBKSEMRUIFT-DMZKTXOQSA-N 412.302 5.584 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2nccs2)N1 587851395 BOQSUOCIMBZJMD-ZMZPIMSZSA-N 403.320 5.335 0 1 HKAF CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1-c1cccc(Br)c1N 587937078 NOMJNIQIYJAVEX-UHFFFAOYSA-N 401.304 5.372 0 1 HKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587952777 XDOIVGDFAJVDEZ-USBNGQNGSA-N 419.285 6.391 0 1 HKAF COC[C@@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2nnsc2C(C)C)c1 653666581 HWJNKRQKRCOPJK-MRXNPFEDSA-N 409.555 5.069 0 1 HKAF Cc1ccccc1NC(=O)C1CCN(C(=O)[C@@H](C)c2ccc(CC(C)C)cc2)CC1 653757861 PFQRSXWJRKUUCO-FQEVSTJZSA-N 406.570 5.174 0 1 HKAF Cc1cc(-c2cccc([C@@H]3c4ccsc4CCN3Cc3cccn3C)c2)ccc1O 962376194 UUGXUWOAXMDVNI-AREMUKBSSA-N 414.574 5.915 0 1 HKAF COc1cc2c(cc1OC)[C@@H](c1ccc(N(C)c3ccc(F)cc3)cc1)N(C)[C@H](C)C2 962630811 SVODBIHCMUSJHB-WGDIFIGCSA-N 420.528 5.577 0 1 HKAF Fc1ccc([C@]2(C3CCC3)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1F 962696857 GYPFSEKDYHRURA-GAJHUEQPSA-N 403.513 5.511 0 1 HKAF CCCC[C@H](CC)CC[C@@]1(CC(C)C)c2cccc(F)c2CCN1[C@H]1CCSC1 962699363 HERCSQZDIJTGHM-AOJNWGRGSA-N 419.694 7.427 0 1 HKAF Cc1ccc([C@@]2(c3ccc(F)cc3)c3cccc(F)c3CCN2[C@H]2CCSC2)nc1 962701841 LRFGJZMUVPIBIB-NBGIEHNGSA-N 422.544 5.324 0 1 HKAF COc1ccccc1CC[C@@]1(c2ccc(C)c(C)c2)NCCc2c1sc(C)c2C 963010351 NKJOPXFBPLCMGU-SANMLTNESA-N 405.607 6.012 0 1 HKAF CCCc1ccc([C@]2(c3cnc4ccccc4c3)NCCc3c2sc(C)c3C)cc1 963015427 BGJJJYVWUQAQLA-HHHXNRCGSA-N 412.602 6.303 0 1 HKAF CCCCOc1ccc(Br)cc1[C@H]1c2c(F)cccc2C[C@H]2CCCN12 963109738 PWNHATPIBHZAKZ-VGSWGCGISA-N 418.350 5.877 0 1 HKAF O=C(O)c1ccccc1[C@]1(c2ccc(Cl)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963110222 MTHCZOZNHRILQR-CPJSRVTESA-N 421.899 5.490 0 1 HKAF CCOC(=O)CC[C@]1(c2ccc(F)c(C)c2)NCCc2c(Cl)cc(Cl)cc21 963115452 AFQCIPXDUQXXLU-OAQYLSRUSA-N 410.316 5.174 0 1 HKAF COc1c(C)cccc1-c1cc(Cl)cc([C@H](CC(=O)O)c2ncc(C)s2)c1 1772635325 GXMQZTLASUAEBS-SFHVURJKSA-N 401.915 5.696 0 1 HKAF COc1cccc([C@@H]2c3ccc4cccnc4c3Oc3nc4c(c(N)c32)CCCC4)c1 1772647578 VQICOKOVXNVBBA-OAQYLSRUSA-N 409.489 5.385 0 1 HKAF CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3ccc(C)cc3)cc2NC(=N)C1 1772654472 KAWHNQIGBMNNFB-UHFFFAOYSA-N 418.541 5.072 0 1 HKAF CCOc1ccccc1CNC(=O)c1sc(Br)c2c1CCC(C)(C)C2 1857759050 JPNUDHLFIFCNCG-UHFFFAOYSA-N 422.388 5.354 0 1 HKAF CC(C)=C[C@@H]1C[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4Cc5c([nH]c6ccccc56)[C@@]43C)[C@]2(C)C1 2356407899 OKCACFSXHRZGFR-IKOCGPRVSA-N 401.638 7.807 0 1 HKAF CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CC(=O)NCCS(C)(=O)=O 2356482949 CECRDLCMVJASRD-BHDDXSALSA-N 417.700 5.613 0 1 HKAF COc1ccc2c3c(c(=O)oc2c1)[C@@H](C)[C@@](C)(CCC=C(C)Cc1cc(C)co1)O3 2356492950 GKKFSJKWTPVFGM-CRICUBBOSA-N 408.494 5.927 0 1 HKAF C[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC=C2[C@@]4(C)CC(C)(C)CC[C@@]4(C)CC[C@@]23C)C1(C)C 2356550094 KZDKZGPACCJOQH-JCLMDTBRSA-N 424.757 9.444 0 1 HKAF CC(=CCC[C@H](C)C=C1OC(=O)C(C)=C1O)CCCc1coc(Cc2ccoc2)c1 2356622018 YIWFEASCLZQHBJ-SFHVURJKSA-N 410.510 6.421 0 1 HKAF C[C@@H]1CCC([C@H](C)[C@@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)=NC1 2356662855 JMSRDKIFVZVAMX-HUYAVQTKSA-N 413.646 5.404 0 1 HKAF C[C@]12CC[C@H](O[C@@H]3CCCOC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](CCO)CC[C@@H]12 2356708445 QAXOXOIELCAIDC-XCLXLVQHSA-N 404.635 5.592 0 1 HKAF CC1=C[C@H](CNC(=O)CC(C)(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 2356835067 KNZMCGYRSGQQOE-HBMCJLEFSA-N 424.589 5.081 0 1 HKAF COc1cc(OC)c2c(-c3cccc(-c4ccc(OC)c(OC)c4)c3)cc(=O)oc2c1 34114910 RICJJTBGKJSHCP-UHFFFAOYSA-N 418.445 5.161 0 3 HKAF CCc1ccc(CCNC(=O)c2c(-c3ccc(OC)cc3)noc2-c2ccoc2)cc1 774374 ASZKDLDBFFRISN-UHFFFAOYSA-N 416.477 5.145 0 1 HKAF CO[C@H](c1ccccc1)[C@H](C)N(C)c1ccc2ccccc2c1C1=NC(C)(C)CO1 1629131 CDHFWSOYAGMZTI-UUOWRZLLSA-N 402.538 5.608 0 1 HKAF CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl 4296903 IXODKNIAJHXDEU-IEBWSBKVSA-N 409.288 5.141 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1Cc1cnn(-c3ccccc3)c1N2 6482540 FJUADJYJHHYVLD-PWHFEESISA-N 403.570 5.123 0 1 HKAF CCCCC1=C(C(=O)OC)[C@@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21 13473491 MSAGZBAYYJNXDB-XMMPIXPASA-N 424.493 5.453 0 1 HKAF CSC1=NC(=O)N(Cc2ccc(Cl)cc2)CCN1Cc1ccc(Cl)cc1 13652018 GFKRYORWOWPWON-UHFFFAOYSA-N 408.354 5.150 0 1 HKAF Nc1nccn2c(C3CCC3)nc(-c3cccc(OCc4cc(F)ccc4F)c3)c12 28885463 WPVRZSPSPWTNPZ-UHFFFAOYSA-N 406.436 5.103 0 1 HKAF CCCCNC(=O)c1ccc(-c2ccc(-c3ccccc3)n2Cc2cccc(N)n2)cc1 35879284 JVCBUYGOEGKVHN-UHFFFAOYSA-N 424.548 5.378 0 1 HKAF O=c1c2ccccc2nc2sc(Nc3ccc(Sc4ccccc4)cc3)nn12 36382810 FOONYOVLVXTWQX-UHFFFAOYSA-N 402.504 5.199 0 1 HKAF CN(C)Cc1ccc2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)ccc2n1 45188629 NFBNVUPINBPGPC-UHFFFAOYSA-N 415.924 5.869 0 1 HKAF CC(C)[C@@H](C)NC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 45384186 OZOLATJLKZOQSB-URPFZOLISA-N 401.679 6.197 0 1 HKAF C[C@@H](NCc1coc(-c2ccc(Br)cc2)n1)c1cccc2ccccc12 72102082 NDPMDZGTBFMVQI-OAHLLOKOSA-N 407.311 6.108 0 1 HKAF Cc1nn2c(/C=C3/C(=O)Nc4ccc(F)cc43)c(-c3ccc(Cl)cc3)nc2s1 84730093 DRVBOWIHLVVRQK-OQLLNIDSSA-N 410.861 5.051 0 1 HKAF CCCCNC(=O)CC1=C(C)/C(=C/c2ccc([S@](C)=O)cc2)c2ccc(F)cc21 84740232 GADKIEHUMBNNQD-WEUSUWRTSA-N 411.542 5.197 0 1 HKAF CO[C@H]1Cc2sc(-c3ccccc3)cc2C2(CCN(Cc3ccccc3)CC2)O1 95553741 MFJLFJMRWUCQNE-XMMPIXPASA-N 405.563 5.452 0 1 HKAF O=C(Nc1ccccc1)c1cccc(Nc2ccc3c(c2)CCc2ccccc2C3=O)c1 95579269 ZVGFWBIJLYVIAU-UHFFFAOYSA-N 418.496 6.012 0 1 HKAF Cc1ccc(C2=C[C@@H](c3c(-c4ccccc4)nc4c(C)cccn34)NC(=S)N2)cc1 95591995 PBBBHPUOLIAOKB-NRFANRHFSA-N 410.546 5.178 0 1 HKAF O=C(Nc1cccc2cccnc12)c1ccc(N2C(=O)OC[C@@H]2c2ccccc2)cc1 96909104 BBDHPCGUAIKMEJ-JOCHJYFZSA-N 409.445 5.185 0 1 HKAF CCN(C)[C@H]1C[C@H]2C[C@@](c3cccc(O)c3)(C1)[C@H](C)CN2CCCc1ccccc1 103292740 XKBZWKCWGFSOLR-BQXMOOCUSA-N 406.614 5.087 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(Br)c2)cc(-c2ccc3occ(C)c3c2)n1 142254345 OSZQDBLEASVVBK-AWEZNQCLSA-N 422.326 6.442 0 1 HKAF CC(C)(C)c1cc(OC[Si](C)(C)c2ccc(Cl)cc2)cc(C(C)(C)C)c1O 195004753 NDIRWEDIPADZPK-UHFFFAOYSA-N 405.054 6.174 0 1 HKAF Cc1cc2ncccc2cc1[C@H](C)n1cnc2ncc(-c3cnc4ccccc4c3)nc21 222104312 DUFHSDMKVRQMJP-KRWDZBQOSA-N 416.488 5.507 0 1 HKAF O[C@@H]1C[C@@]2(N3CCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@H](c1ccc(Cl)cc1)C2 253684864 RYCYJPVBNCYXDT-QWQGWLCTSA-N 416.392 5.870 0 1 HKAF COc1ccc(-c2cc([C@@H]3[C@@H](c4ccc(Cl)cc4)C[C@H]4CC[C@H]3N4C)on2)cc1 253754484 MZBDCJWEXVZTQQ-ZISUOPPCSA-N 408.929 5.738 0 1 HKAF Cn1cc(-c2ccc(Oc3ncccc3-c3ccncc3)cc2)c2ncc(Cl)cc21 299831692 DSAXKNCBRVJKHC-UHFFFAOYSA-N 412.880 6.143 0 1 HKAF Oc1cnc(-c2ccc(F)cc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)c1 473154794 LVENDBNBXWLMQL-UHFFFAOYSA-N 422.459 6.388 0 1 HKAF OCc1ccc(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)cc1 586895611 PODDHKKDNBFWDG-UHFFFAOYSA-N 409.283 5.064 0 1 HKAF O=C1O/C(=C\c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c2ccccc21 586906865 RVSOVDDUEYCPDX-GHXNOFRVSA-N 409.161 5.013 0 1 HKAF COc1cc(/C=C\c2nc3c(F)c(F)c(F)c(F)c3[nH]2)ccc1Br 586977537 QMXQCRBHVKHVPD-HYXAFXHYSA-N 401.157 5.061 0 1 HKAF FC(F)(F)c1ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c1 587015195 GEDKFKZJCQERKO-UHFFFAOYSA-N 414.239 6.679 0 1 HKAF c1ccc(-c2csc(Nc3cccc(-c4nc5cnc6ccccc6c5[nH]4)c3)n2)nc1 587021015 HNQOJLZAYRETGH-UHFFFAOYSA-N 420.501 6.040 0 1 HKAF Fc1cc2[nH]c(-c3ccccc3OCc3cscn3)nc2cc1Br 587029078 GUCIOEVQROONSR-UHFFFAOYSA-N 404.264 5.167 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(OC(F)(F)F)ccc4[nH]3)c21 587030787 LHAZVOJTAWBXGQ-GFCCVEGCSA-N 417.456 6.421 0 1 HKAF Oc1ccc2scc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2c1 587031982 DNSIFIMNSWQGEU-UHFFFAOYSA-N 402.319 6.188 0 1 HKAF Fc1c(F)c(F)c2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1F 587051150 OSZCTQQXZMRBHB-UHFFFAOYSA-N 401.146 6.353 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc5c(c4)COC(C)(C)O5)nc13)-c1ccccc1C2=O 587102338 VYQQQDYXDLBLAV-UHFFFAOYSA-N 407.469 6.067 0 1 HKAF COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(C(F)(F)F)c1 587103656 MQYUWAYAYMSCDD-UHFFFAOYSA-N 405.375 6.141 0 1 HKAF COC(=O)c1ccc2c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c[nH]c2c1 587108052 XUOLEUBYWKIEFI-UHFFFAOYSA-N 404.425 5.381 0 1 HKAF Cc1c(Br)cnc2[nH]c(-c3cccc(NC(=O)CC(C)(C)C)c3)nc12 587242109 PGDWVVXYRBNXBX-UHFFFAOYSA-N 401.308 5.071 0 1 HKAF COc1c(C)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C 587348584 HBIDNSQYQBFSHM-RCZVLFRGSA-N 406.453 5.431 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(C(=O)c3cccc4cccc2c34)[C@@H]1c1ccc(F)cc1 587353843 PEVAGRUGEQTBEY-BVAGGSTKSA-N 410.400 5.135 0 1 HKAF CC(C)c1cccc2c1OCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587361031 XFBGANFYYXIGMZ-JYFHCDHNSA-N 418.464 5.692 0 1 HKAF COC(=O)C[C@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587363331 RAVCOHIDQMTJBD-HNNXBMFYSA-N 401.462 5.325 0 1 HKAF COc1cccc(-c2c([C@H]3CCOC3)c(-c3ccccc3)nc3c2oc2ccccc23)c1 587366245 NELASMHFKZRVPW-FQEVSTJZSA-N 421.496 6.828 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1cc(Cl)c(Cl)cc1Cl)O2 587372668 ACHFNBFPXVUSTB-LJQANCHMSA-N 421.711 6.035 0 1 HKAF Cc1cccc(COc2ccc(Cl)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587377403 HWLBOVCCPCNOPB-HSZRJFAPSA-N 407.897 5.825 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(-c4cc(C)ccc4C)nc4ccccn14)[C@@H](C2)C3=O 587436399 PRXFIUNDNHFOTC-SIBVEZHUSA-N 410.473 5.115 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(NC(=O)C(C)(C)C)ccnc1Cl)CC2=O 587462402 QCWZCCWKCPRAHD-KRWDZBQOSA-N 416.905 5.084 0 1 HKAF O=C(O)c1ccccc1[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500418 BTBRYBMXOFGLCC-AREMUKBSSA-N 416.448 5.312 0 1 HKAF O=C(O)CC[C@@]1(c2ccc(Cl)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587509539 ZTPHYPGODDSIKM-QFIPXVFZSA-N 402.849 5.083 0 1 HKAF CCCOc1ccc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520514 DLOATLJDYULODU-VWLOTQADSA-N 408.494 5.080 0 1 HKAF C[C@@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540595 PQSYMAXYPLATLR-NQIIRXRSSA-N 411.251 5.032 0 1 HKAF COc1ccc2c(c1)[C@]1(CCCS2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619913 VSVKKUKXYXWNIC-QPPBQGQZSA-N 420.486 5.144 0 1 HKAF O=C(O)[C@@H]1CCCC[C@@H]1c1c(-c2ccc(Cl)cc2)[nH]c2ccc(F)c(Cl)c12 587627785 CBDDGLOGSVACDJ-UONOGXRCSA-N 406.284 6.639 0 1 HKAF C[C@H]1C[C@@H](C)CN([C@@H]2CCCC[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)C1 587763397 YILZUTNVBOPYKT-VUBUUUQESA-N 423.414 5.238 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3c2ccc2ccccc23)N1 587808487 ZJVVCHSKVVBVGA-VERVWZFWSA-N 409.302 5.846 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC/C2=C\c2ccccc2)N1 587820201 YUICOSYFISDFLR-MLFOZPKZSA-N 400.335 5.975 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SC(C)(C)C)cc2)N1 587841097 PKISZEXCUWINJN-HXPMCKFVSA-N 408.380 6.102 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NCCc1ccccc1 587859413 IZJQGLHTIJSSRB-UHFFFAOYSA-N 420.365 5.221 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(OC(F)(F)F)cc1 587860640 ATQZNIKJWJDZES-UHFFFAOYSA-N 402.294 5.465 0 1 HKAF Cc1ccc(-c2cc3c(n2-c2n[nH]c(-c4ccccc4F)n2)CC(C)(C)CC3=O)cc1 587944695 FBXIEKCSKLIXIA-UHFFFAOYSA-N 414.484 5.532 0 1 HKAF Cc1cc2[nH]c(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)nc2c(C)n1 587949699 YMXKVRYXNOBCRY-FXCLAUTBSA-N 405.542 5.859 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccccc2[nH]1 587959687 NEHVBVXDDNMHCK-WWMAXSSBSA-N 402.626 8.417 0 1 HKAF FC(F)(F)Oc1cc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2cc1Cl 587961474 KXSQQZSMQAMNJL-UHFFFAOYSA-N 402.803 6.373 0 1 HKAF Cn1nc2ccc(Br)cc2c1[C@H]1NCCc2cc(-c3ccccc3)ccc21 962668726 QQLFNVWBKHYHHD-QFIPXVFZSA-N 418.338 5.238 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1sc(Sc2ccccc2)nc1Cl 963110153 QOFWWGUAHDDAGF-CRAIPNDOSA-N 416.974 6.197 0 1 HKAF CC(C)(C[C@]1(c2ccc3ccccc3c2)c2ccc(F)cc2C[C@H]2CCCN21)C(=O)O 963113010 YIMJYRSYYXOBME-KCWPFWIISA-N 417.524 5.744 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCc1cccc(Br)c1)C1CC1 963236118 XLOVDXNLOHMZDG-HOYKHHGWSA-N 412.415 6.344 0 1 HKAF COc1ccc(-n2c(C)c(C)c([C@H]3N[C@H](C)Cc4c(OC)ccc(OC)c43)c2C)cc1 963610410 PJSMZYZWWJFLRX-PVPMGCCUSA-N 420.553 5.052 0 1 HKAF Cc1cccc(C(=O)N([C@H](C)c2cccc(Cl)c2)[C@@H](C(N)=O)c2ccccc2)c1 1772584188 WEBXAAQZTQETAN-VGOFRKELSA-N 406.913 5.078 0 1 HKAF CCCCNC(=O)Nc1nc(-c2ccc(C)cc2)c(-c2ccc(NC(C)=O)cc2)s1 1772622104 LOEBDAPQWGLKKL-UHFFFAOYSA-N 422.554 5.666 0 1 HKAF Clc1cc(Cl)cc(CN[C@H]2CCC[C@@H](c3nc4ccc(Cl)cc4[nH]3)C2)c1 1772654823 XDIHQCSGYJWVKO-DYVFJYSZSA-N 408.760 6.339 0 1 HKAF C[C@H](CC[C@H](O)C1CC1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857584386 YGYRVCWLOZJWRP-NLDKHYOTSA-N 414.674 6.504 0 1 HKAF COc1ccc(-c2cc(O)c(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(=O)o2)cc1 1857588038 FBTYSQKRYBWBHM-YARIIHNNSA-N 422.565 6.983 0 1 HKAF Cc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1ccnc(-c2ccccn2)n1 1857760966 QECVPFBCXHHQHL-UHFFFAOYSA-N 406.514 6.305 0 1 HKAF COc1ccccc1-n1cc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)nn1 1857765388 BMMRMSWWEWLUEB-UHFFFAOYSA-N 419.488 5.419 0 1 HKAF CCC=C(CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 2356312766 JVGGULCNHGBDGL-JAAUFWCXSA-N 424.713 8.255 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]45C[C@@]35CC[C@]12C 2356615918 PHXROWPRWPUNFG-LLMYNNQDSA-N 424.713 8.089 0 1 HKAF CC(C)=CCC[C@@]1(C)CC=C2CO[C@@]3(C)CC[C@@]2(O3)[C@H]1C=COC(=O)C=C(C)C 2356620769 DYJKAEXCVPJAAQ-CGBRIMPHSA-N 400.559 6.004 0 1 HKAF CC(=O)O[C@@H]1CC[C@@H]2[C@H](CC[C@H]3[C@@H]4CC[C@@H]([C@@H](C)C=CCC(C)C)[C@@]4(C)CC[C@@H]32)C1 2356706799 UCACJVAPKGZMLE-APSCIZNNSA-N 414.674 7.425 0 1 HKAF CC(=CCCC(C)=CCC[C@@]1(C)C=Cc2cc(O)cc(C)c2O1)CCC=C(C)C(=O)O 2356786987 BDTFDPRRJCCONP-MHZLTWQESA-N 424.581 7.129 0 1 HKAF COC(=O)c1c(-c2ccc(OC)cc2)sc2ccc(-c3ccc4c(c3)OCO4)cc12 61948074 HAHKKLVARNYPJU-UHFFFAOYSA-N 418.470 5.759 0 3 HKAF O=C(Nc1ccc(F)cc1)Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ncccn12 203466195 XDYOVBDWYQQEAR-UHFFFAOYSA-N 415.350 5.198 0 3 HKAF CC(C)(C)c1noc(-c2ccsc2)c1C(=O)NCCc1c(Cl)cccc1Cl 775872 PLGLXIZDOFDUHQ-UHFFFAOYSA-N 423.365 5.980 0 1 HKAF CO[C@H](c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc2cc(C(=O)O)ccc2c1 13604266 HPPASAIRMDHNEE-DEOSSOPVSA-N 402.534 6.623 0 1 HKAF CCO[P@@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCCCCC1 26279192 LDEIQRSDRLBGDN-MHZLTWQESA-N 414.511 6.569 0 1 HKAF CCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12 29133918 YHYJQEMFCWJMSJ-UHFFFAOYSA-N 416.477 5.337 0 1 HKAF CCCN(Cc1ccccn1)c1cc(-c2ccccc2)cc(-c2ccc(O)c(C)c2)n1 29561513 RRNFUZMGIKMXIE-UHFFFAOYSA-N 409.533 6.241 0 1 HKAF CCC1=C(c2ccccc2)c2ccc(OCCN(C)C)cc2SCc2ccccc21 33649955 JKRYTNWVISKRSS-UHFFFAOYSA-N 415.602 6.602 0 1 HKAF CC(C)(C)c1ccc(C(=O)O[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 39233052 MPKFUFRVAUAVAL-FQEVSTJZSA-N 417.336 6.086 0 1 HKAF CC1=CC=CC2=NC[C@H](C(=O)c3ccc(-c4ccc(Br)cc4)cc3)CN12 43121019 FWLAKUKSMTZQTH-IBGZPJMESA-N 407.311 5.103 0 1 HKAF CC(C)CNC(=O)c1ccc(OC2CCN(CC3CCCCC3)CC2)c(Cl)c1 45315353 ILHOMCIFZCFMRS-UHFFFAOYSA-N 406.998 5.149 0 1 HKAF Cn1cncc1C(=O)Nc1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)c1 45321816 GKIWDCNORLLFFZ-UHFFFAOYSA-N 411.440 5.022 0 1 HKAF O=C(O)Cc1sc([C@H](c2ccccc2)c2ccc(O)cc2)nc1-c1ccc(F)cc1 45387231 IIMVGFRDUDAYTR-JOCHJYFZSA-N 419.477 5.462 0 1 HKAF CCc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 45389181 LOKSCHNBACFBIZ-UHFFFAOYSA-N 406.869 5.728 0 1 HKAF Cc1cn(-c2ccc(-c3ccc(N[C@@H](C)c4ccc(F)cc4)nc3)cc2N(C)C)cn1 72178264 ODNZWAHAPAWQBC-SFHVURJKSA-N 415.516 5.621 0 1 HKAF CCN(CC)C[C@@H](O)COc1ccc2c(c1C(C)C)CC[C@H]1C(C)(C)CCC[C@]21C 82156650 YHRNRXTVQDMVBB-WMVAVLGLSA-N 415.662 5.922 0 1 HKAF CC1(C)C[C@@H](NCCc2ccccc2F)c2cc(C(=O)NC3CCCCC3)ccc2O1 82177809 KAXVCISHEGRASM-HSZRJFAPSA-N 424.560 5.323 0 1 HKAF Clc1ccc2c(NCc3nc(-c4ccc(N5CCCC5)cc4)c[nH]3)ccnc2c1 95563949 GHJFRELKTMUIJU-UHFFFAOYSA-N 403.917 5.491 0 1 HKAF CC(C)n1ncc2cc([C@H](c3ccccc3)C(C)(C)C(=O)Nc3nncs3)ccc21 96283932 WTJASENCWHVHKR-FQEVSTJZSA-N 419.554 5.266 0 1 HKAF COc1cccc(C(=O)O[C@H]2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)c1 96914350 FKOUZZAFURKGGE-PRPRSFIFSA-N 400.603 6.899 0 1 HKAF Cc1cc(N)c2cc(NC(=O)c3ccc(-c4cccc5ncccc45)cc3)ccc2n1 103236385 SPESLXVICSJNCE-UHFFFAOYSA-N 404.473 5.593 0 1 HKAF CCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1ccc(Cl)cc1 103266119 XHVKCIKXQFONHW-UHFFFAOYSA-N 405.369 5.368 0 1 HKAF Cc1ccc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3nc(C(F)(F)F)nn32)cc1 103529831 ZURQVOTVNMCOCK-OXQOHEQNSA-N 424.426 5.671 0 1 HKAF O=C(O)[C@H](CNCCCCCCCCCCCCCc1cccnc1)c1ccccc1 140431428 GUFZADOGCBFXDU-AREMUKBSSA-N 424.629 6.373 0 1 HKAF O[C@H](C[C@@H]1CCCCN1)c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1 169336007 XLEHXDWIZFWRLI-DOTOQJQBSA-N 418.381 5.352 0 1 HKAF CCO[P@](=O)(CC)Oc1cc(Nc2cc(-c3cccc(N)c3)ncn2)ccc1C 169342849 SCHBPDAYSDOLDG-GDLZYMKVSA-N 412.430 5.406 0 1 HKAF O=C1C[C@@](CC2CCCCC2)(c2ccccc2)OC(=O)[C@H]1SCc1ccccc1 169684719 MEARHPXCXSFRJA-ZCYQVOJMSA-N 408.563 5.670 0 1 HKAF CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@]4(C)[C@@H]3CC[C@@H]2[C@@]1(C)CO 238781717 FQININAMWQASHE-QVEMSXDCSA-N 414.678 5.022 0 1 HKAF CN1CC=CCCOc2cccc(c2)-c2ccnc(n2)Nc2ccc(Cl)c(c2)C1 299814097 VQNXOAVFMIVTAT-UHFFFAOYSA-N 406.917 5.311 0 1 HKAF O=C(CCCCCOc1cccc(C(F)(F)F)c1)Nc1ccnc(C(F)(F)F)c1 299872114 ZZXXOIFNVFHZKW-UHFFFAOYSA-N 420.353 5.697 0 1 HKAF CCc1ccc(-c2nc3c(F)c(Nc4ccccc4)c(C(=O)OC)cc3[nH]2)cc1CC 586878211 AJXKZFAJVVQANU-UHFFFAOYSA-N 417.484 6.024 0 1 HKAF Cc1cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2cc1Cl 587048991 FZEOELMVTYMOLO-UHFFFAOYSA-N 403.312 7.665 0 1 HKAF Clc1ccc(CC2(c3nc4ccc(I)cc4[nH]3)CC2)cc1 587073551 KYZLPAGOYFAVEK-UHFFFAOYSA-N 408.670 5.095 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2c1 587080445 MZFSIVVSEMPNKJ-ZDUSSCGKSA-N 417.612 5.674 0 1 HKAF CCCCCOc1cc2nc(-c3ccc(OC)nc3Cl)[nH]c2cc1Br 587087475 RFFKSACWPDHTJE-UHFFFAOYSA-N 424.726 5.618 0 1 HKAF COc1ccc(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 587098814 UVBNXUHHKVNLPM-UHFFFAOYSA-N 409.441 5.057 0 1 HKAF FC(F)(F)c1ccc(Oc2ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2)cc1 587111818 IASCKTNJIZEFMN-UHFFFAOYSA-N 412.367 5.812 0 1 HKAF Fc1cc(F)c(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1Br 587135981 JERZVVRZCNCXIJ-UHFFFAOYSA-N 415.237 5.850 0 1 HKAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c(F)c2)c1 587139006 ZGGNYFWQPZSEFL-UHFFFAOYSA-N 419.214 6.180 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c(Cl)c2)cc1F 587145802 REHCELLNDXTUHP-UHFFFAOYSA-N 405.687 7.305 0 1 HKAF Cc1c(Br)cnc2[nH]c(-c3cc4ccccc4cc3NC(=O)C(C)C)nc12 587247959 ZRSKPBDZGBXHAR-UHFFFAOYSA-N 423.314 5.444 0 1 HKAF C[C@@]1(c2cc(F)cc(F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334004 OUCNTHZUWAJRRT-KNQAVFIVSA-N 402.343 5.223 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCc3c(Cl)cccc32)[C@H]1c1ccc(F)cc1 587337073 ZPBORYSNMZMVAO-UPVQGACJSA-N 408.856 5.775 0 1 HKAF C[C@]1(Cc2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344022 FFHKVMFUXUAQCP-ILBGXUMGSA-N 401.437 5.373 0 1 HKAF Cc1ccc(C[C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587358920 YWVYGLMWXWKCBS-AOYPEHQESA-N 402.465 5.590 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)c(Cl)c1Cl)O2 587378313 UFYAXDYYJAODMQ-CYBMUJFWSA-N 401.087 5.353 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1c(C)cccc1C 587401391 WLURBDOPDCXHFW-DEOSSOPVSA-N 417.505 5.488 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(OC(C)C)c(Cl)c1)CC2=O 587458368 ATPUOYPFLQDKDG-LJQANCHMSA-N 409.309 6.145 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCOc3cc(Br)ccc31)CC2=O 587459581 YDWYIGJIUWRRTI-NRFANRHFSA-N 417.299 5.141 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3ccc(C(F)(F)F)cc3s1)CC2=O 587464253 MIZKABXTJLITSD-QGZVFWFLSA-N 406.425 6.285 0 1 HKAF CC(C)(C)c1ccc([C@@]2(CCCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587528860 FPJMXZDROARXMF-HHHXNRCGSA-N 420.549 5.979 0 1 HKAF CC[C@@]1(c2cc(Cl)ccc2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587548842 QVACNNOZMSXNOU-REWPJTCUSA-N 410.853 5.321 0 1 HKAF CCCCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599525 GKAOVJBILWEKCO-OZXSUGGESA-N 402.490 6.220 0 1 HKAF O=C(c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1)C1CCC1 587600341 APFHHJDOFXGOOU-PXDATVDWSA-N 400.430 5.078 0 1 HKAF CC(C)c1ccc2c(c1)[C@]1(CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613519 YHRVVZAPNUDXGX-BVAGGSTKSA-N 416.473 5.545 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCCS2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619920 VSVKKUKXYXWNIC-ZJSXRUAMSA-N 420.486 5.144 0 1 HKAF Cc1cc(Cl)cc2c(-c3nc4ccccc4n3C(F)F)c(-c3cccs3)[nH]c12 587624273 FWYSIHPUDIJPEB-UHFFFAOYSA-N 413.880 7.270 0 1 HKAF Cc1cc(Cl)cc2c(Cc3ccc(Br)cc3F)c(C(C)(C)C)[nH]c12 587624513 KXZWOUWXOJXXCG-UHFFFAOYSA-N 408.742 6.920 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cc(O)cc2Cl)N1 587695258 QQNLMYZVRFLYFO-HYORBCNSSA-N 405.094 5.224 0 1 HKAF COc1cccc(OCc2ccc(-c3nc4ncc(Cl)c(Cl)c4[nH]3)cc2)c1 587780882 KXZUQQSYMIPJNU-UHFFFAOYSA-N 400.265 5.519 0 1 HKAF CCCOc1cc2c(cc1[C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)CCC2 587792384 KRLSOTQYUWLNNA-MCMMXHMISA-N 418.350 5.489 0 1 HKAF CC[C@H](OC)c1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587794559 OXEYCCBIHWHTOM-MPKWNAGQSA-N 406.339 5.483 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3c2ccc2ccccc23)N1 587802558 MXXHDUNIGJUVQU-YTEVENLXSA-N 409.302 5.846 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OC2CCCC2)N1 587810317 KQWUSPZANQEWBS-LRTDBIEQSA-N 404.323 5.533 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC23CC4CC(CC(C4)C2)C3)N1 587814862 WJYIUVVDIXJCPX-AVQZZNLCSA-N 406.383 5.944 0 1 HKAF CCOc1cccc2sc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)nc12 587864687 SIEGYHNGIGHFSW-UHFFFAOYSA-N 419.428 5.575 0 1 HKAF CC(C)(c1ccccc1)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923282 ZJLLXHBTKGWTHY-UHFFFAOYSA-N 412.533 7.423 0 1 HKAF CC(C)Oc1cc2nc(Cc3ccccc3-c3ccccc3)[nH]c2cc1Br 587958883 LEVRGCLTEHAKJT-UHFFFAOYSA-N 421.338 6.370 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@H]1c1csc(COc2ccccc2)n1 962372540 ISJJZINTPDQEEA-QHCPKHFHSA-N 421.591 5.270 0 1 HKAF COc1ccc2c(c1OC)[C@@](C)(c1ccc(SC3CCCC3)cc1)N(C)[C@H](C)C2 962617066 BRLXPZUDCMYDDJ-CRICUBBOSA-N 411.611 5.878 0 1 HKAF C[C@@]1(c2nc3ccccc3s2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962647759 WJZYKCMHSUAUTD-RLWLMLJZSA-N 411.574 5.307 0 1 HKAF Cc1onc(-c2cccc(Cl)c2Cl)c1[C@]1(C)c2ccsc2CCN1C(N)=O 962708021 JOFZLIPDGIGEFZ-IBGZPJMESA-N 422.337 5.219 0 1 HKAF Cc1ccc(N(C(=O)c2ccc[nH]2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 1857607293 OKDRUGZFWYLJQM-XMMPIXPASA-N 415.537 5.160 0 1 HKAF CC(C)=CCC[C@]12C(=O)CC[C@H](C)[C@]1(C)CC[C@@](C)(O)[C@@H]2Cc1c[nH]c2ccccc12 2356334626 KPIWQVIPQWGFNG-KVHSDQMRSA-N 421.625 6.610 0 1 HKAF CC1=C(CC[C@H](C)CO)O[C@@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 2356539989 IQDKIMJGXXRZGR-GPUNLDTESA-N 416.646 5.698 0 1 HKAF C[C@@H]1CCc2sc(C(=O)Nc3nnc(SCc4ccc(F)cc4)s3)cc2C1 3426030 GONIMFPPDQNSSI-LLVKDONJSA-N 419.572 5.408 0 3 HKAF Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCC3=CCCCC3)CC2)c(C)o1 4435327 GHWSCRJQPKVFRZ-UHFFFAOYSA-N 421.585 5.177 0 3 HKAF CC1=CCC[C@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CC/C(C)=C/Cn1c[n+](C)c2c(N)ncnc21 8584446 NALGSOQQUZLOIK-MFPJZMNZSA-N 422.641 5.363 0 3 HKAF in-vitro Cc1ccc(-c2csc(NCCn3c(C(F)(F)F)nc4ccccc43)n2)cc1 15934858 VWCSYJRUVGYBGA-UHFFFAOYSA-N 402.445 5.599 0 3 HKAF CCc1nc2c(OCc3ccc(F)cc3)cccn2c1N(C)C(=O)c1ccc(C)cc1 61905981 XNDHPDJXLNOJCU-UHFFFAOYSA-N 417.484 5.200 0 3 HKAF Cc1ccc([C@@H](c2nc3ccccc3[nH]2)n2c(-c3ccccc3)nc3ccccc32)cc1 72136067 QICJQKSVTAHJSP-SANMLTNESA-N 414.512 6.526 0 3 HKAF C[C@@H]1CC[C@@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC(=O)[C@H]5CCCC[C@@]5(C)[C@@H]4CC[C@]3(C)[C@H]1[C@H]2C 263590657 GDYOHNPSZXFUIG-APFADKKCSA-N 414.630 6.002 0 3 HKAF COc1cc2nc(Cl)nc(Nc3ccc(Cl)c(C(F)(F)F)c3)c2cc1OC 11756293 PMQJNKCTTJUTFZ-UHFFFAOYSA-N 418.202 5.716 0 1 HKAF CC(C)(C)OC(=O)c1ccc(NC2CCN(c3cccc4ccccc34)CC2)cc1 27525801 XIKRHMJNECFTLU-UHFFFAOYSA-N 402.538 5.876 0 1 HKAF C/C=C/[C@H]1C=Cc2c3c(c4oc(=O)c(Cl)c(CCC)c4c2O1)C(=O)C[C@H](C)O3 29133703 PETZJDWWZFWEAM-JZYUNNQISA-N 400.858 5.103 0 1 HKAF C[C@](O)(CSc1ccccc1Cl)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1 34801487 SJCZTOXZMFFQNG-KRWDZBQOSA-N 420.283 6.493 0 1 HKAF CC[C@H]1C=C2NC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@@H](C)CCCC(C)C)[C@@H]12 36189403 YBSFMQHCAIWRPP-GSDPNKJRSA-N 413.690 7.348 0 1 HKAF Cc1noc([C@H]2[C@@H](c3ccc(Cl)cc3)C[C@H]3CC[C@@H]2N3C)c1-c1ccc(F)cc1 40394509 LVGMRPXHULTKRI-JFYQVNSESA-N 410.920 6.176 0 1 HKAF CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 40848221 GAMDYYPXHSNAMX-LJQANCHMSA-N 420.340 5.038 0 1 HKAF Fc1cc(F)c(-c2c(Cl)nc(-c3ccncc3)nc2NCC(F)(F)F)c(F)c1 40867249 IOOKTIUCSYUVRN-UHFFFAOYSA-N 418.728 5.251 0 1 HKAF CC(=O)O[C@@H]1C[C@@]2(C)CC(c3ccc(C)c(O)c3)=CC[C@H]2[C@@]2(C)CCCC(C)(C)[C@H]12 40875840 CCXWTNLPPHXPFG-ZKNNFSDBSA-N 410.598 6.668 0 1 HKAF Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1O[C@@H]1CCN(CCC(C)C)C1 45167259 WIWKTKCDJKDXLY-HSZRJFAPSA-N 417.553 5.295 0 1 HKAF Cc1[nH]c(C)c(-c2ccc(OCc3ccc(F)cc3)cc2)c(=O)c1Br 45167810 PMIGUHMFBFQZRP-UHFFFAOYSA-N 402.263 5.139 0 1 HKAF COc1cccc(-c2[nH]c3ccccc3c2CN2CCC(c3c(C)cccc3C)CC2)c1 45167828 DGYCIZJIBMCPPE-UHFFFAOYSA-N 424.588 6.840 0 1 HKAF Cc1cc(NC(=O)c2cccs2)ccc1OC1CCN(Cc2ccccc2)CC1 45228465 CZQSOARGFIRHNE-UHFFFAOYSA-N 406.551 5.352 0 1 HKAF COc1ccccc1-c1[nH]c2ccccc2c1CN1CCC(c2c(C)cccc2C)CC1 45303142 VIWMUPQWJKXRKM-UHFFFAOYSA-N 424.588 6.840 0 1 HKAF O=C1c2cccc(Cl)c2C(Cc2ccc(C(F)(F)F)cc2)c2c(Cl)cccc21 64390568 PROKEOSSOJJBCL-UHFFFAOYSA-N 421.245 6.931 0 1 HKAF C[C@@H](c1ccc(F)cn1)N1CCC2(CC1)O[C@@H](c1cc(Cl)ccn1)c1ccccc12 73387963 UMTQBBVFVBRUPB-QMHKHESXSA-N 423.919 5.441 0 1 HKAF c1ccc(-c2ccc(Oc3cc(NCc4cccc5ccccc45)ncn3)cc2)cc1 82067857 GKAKDXSJNXZLQT-UHFFFAOYSA-N 403.485 6.701 0 1 HKAF CCCCCn1c(C2CCCCC2)nc2c(NCCc3cccc(F)c3)ncnc21 82179588 BAAIQROQHXSRIJ-UHFFFAOYSA-N 409.553 5.858 0 1 HKAF O[C@@H](CSc1ccc2ccccc2c1)CN(Cc1ccccc1)Cc1ccccc1 84688769 BYNJGRPUQUUNBS-AREMUKBSSA-N 413.586 5.995 0 1 HKAF COc1cc2cc(C(=O)N3c4ccccc4Sc4ccccc43)[nH]c2cc1OC 95589059 FOTULLREGPFLAV-UHFFFAOYSA-N 402.475 5.628 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@H]1CC3 95635663 KLZWTHGLLDRKHD-RGWPLMDZSA-N 412.702 8.089 0 1 HKAF COc1ccc(OC[C@H]2c3ccc(C)cc3CCN2C(=O)c2cccc(Cl)c2)cc1 96271976 DKSFNVZJMQROOZ-DEOSSOPVSA-N 421.924 5.476 0 1 HKAF CC1=C(C(=O)OC2CCCC2)[C@H](c2coc3ccccc3c2=O)C2=C(O)CCCC2=N1 101478257 SGGUTOYRQMWQNK-QFIPXVFZSA-N 419.477 5.087 0 1 HKAF CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccn2)C2=C(O)CC(C)(C)CC2=N1 103997015 ZDKAXCIRFXYGRO-XMMPIXPASA-N 416.521 5.312 0 1 HKAF COc1c(C(=O)CC(=O)c2ccc(O)c(CC=C(C)C)c2)ccc(O)c1CC=C(C)C 149615748 AKLSXLVJISBMOO-UHFFFAOYSA-N 422.521 5.580 0 1 HKAF CC[C@H](C)NC[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 169335657 XWIOBZKKWWYXIG-NPMXOYFQSA-N 415.364 6.144 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](OC(=O)c3ccc(N(C)C)cc3)CCC[C@@]21C 169343660 FTNGWTGBSAGOQY-RWDSZGCBSA-N 413.646 6.957 0 1 HKAF Cc1cc(-n2nc(C(C)C)c3c(-c4cnc5ccccc5c4)ccnc32)ccc1C(N)=O 169703496 HHYDNHTVJDBDJM-UHFFFAOYSA-N 421.504 5.166 0 1 HKAF N[C@@H]1CCC[C@H](c2cc3c(-c4cccc(NCc5cccc(F)c5)n4)ccnc3[nH]2)C1 226038588 UZNXNBILDDARGO-PKOBYXMFSA-N 415.516 5.361 0 1 HKAF C[C@H]1C(=O)CC[C@]2(C)[C@@H]3CC[C@H]4[C@H]5CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]12 238774299 SVZQHKOMCQDKKO-GKVHULDNSA-N 412.702 8.067 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O 261496197 HHVQPBXBALLUDF-RFUNRACHSA-N 418.662 5.618 0 1 HKAF endogenous,in-man COc1ccc(C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)cc2F)c(O)c1 299822037 NNUIGVQDZUURKB-UHFFFAOYSA-N 406.240 5.766 0 1 HKAF CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1cc(-c2cccc(F)c2)nc2ccc(OC)cc12 299853453 KKSVXJKOINWIEN-HKZFZQDASA-N 420.528 5.203 0 1 HKAF CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1cccnc1)c1ccc(-c2ccccc2)cc1 299862682 KAXCTWHYPLCXCZ-HEEDUKKLSA-N 413.565 5.259 0 1 HKAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccccc2)C1 299876514 FVFFXNXSPLFQOS-XSDIEEQYSA-N 420.601 5.277 0 1 HKAF CN1CCc2cc(-c3cnc4[nH]cc(C(=O)c5ccccc5Cl)c4c3)ccc2C1 473090061 UOQSDEILBQECQK-UHFFFAOYSA-N 401.897 5.102 0 1 HKAF Oc1ccc(-c2cccc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2)cc1 586899461 XTRLAHNGSBCBIK-UHFFFAOYSA-N 405.326 5.652 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(C(F)(F)F)ccc2[nH]1 586981286 NRVKQLKJODDAPJ-UHFFFAOYSA-N 420.232 6.110 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4cc(Br)ccc4[nH]3)cc2)n1 587020709 XETZGRYDQPOACL-UHFFFAOYSA-N 416.369 6.050 0 1 HKAF Clc1[nH]c2ccccc2c1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587088341 YAGBHDPIOALJGW-UHFFFAOYSA-N 400.894 6.641 0 1 HKAF COc1ccc(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(C)c1OC 587098412 RFPAVDXCJAVDIR-UHFFFAOYSA-N 409.485 5.671 0 1 HKAF FC(F)(F)c1cc(-c2cccc(-c3nc4ccccc4[nH]3)c2)cc(C(F)(F)F)c1 587111587 MDONSFCJCPMYMO-UHFFFAOYSA-N 406.329 6.935 0 1 HKAF Cc1nc(-c2ccc(C)n2C)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208528 TVLAEVJUPPASBB-UHFFFAOYSA-N 421.525 6.192 0 1 HKAF c1ccc(COc2ccc(-c3cccc(-c4cc5c6c(cccc6n4)CC5)c3)cc2)cc1 587212990 FAPQKAZARNSUIV-UHFFFAOYSA-N 413.520 7.246 0 1 HKAF Cc1c(Cl)ccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c12 587231497 RUVDXHRWABPGRB-UHFFFAOYSA-N 420.900 5.414 0 1 HKAF CC1(C)Cc2ccc(Cl)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587327625 HGDKDLONWVAGGT-DHLKQENFSA-N 422.883 6.021 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCC[C@@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 587355893 XGJADAVXYHJPHV-YZXAJQSBSA-N 402.465 5.987 0 1 HKAF COc1ccc([C@@H](C)c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 587362191 GGUALCCIUCIESP-QGZVFWFLSA-N 409.485 6.817 0 1 HKAF CCCC[C@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417781 LYKOUHSYOWBXEV-DYESRHJHSA-N 401.300 5.291 0 1 HKAF C[C@]1(c2ccccc2OCc2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587508046 XYYJGHVJPAMBOG-HHHXNRCGSA-N 416.492 6.164 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](C[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 587509773 IYTSCVOTNIHWEV-UGKGYDQZSA-N 421.537 5.555 0 1 HKAF CC(=O)c1ccc2c(c1)Cc1cc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc1-2 587526708 XCUMNQVIOMDRPS-GDLZYMKVSA-N 422.524 6.220 0 1 HKAF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 587629906 NECJXDLRZRDDCA-UHFFFAOYSA-N 405.178 6.193 0 1 HKAF CCOC(=O)c1c(-c2c(F)c(F)c(F)c(F)c2F)[nH]c2ccc([C@H](C)CC)cc12 587640429 DFMGKBWVTNRWQH-SECBINFHSA-N 411.370 6.221 0 1 HKAF Cc1c(Cl)ccc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)[nH]c12 587695437 JUGUUBGSZCNLDC-HOGDKLEQSA-N 407.714 5.655 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)N1 587696755 DZJFQKXMZMVZLG-LKGLTLJLSA-N 415.133 6.097 0 1 HKAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(F)(F)F 587712608 PSRWOIJEZJOEAV-HUTHGQBESA-N 418.228 5.239 0 1 HKAF CC(=O)c1cccc(/C=C/[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F 587725607 FHWVTEKPPYFXAH-FVEXXERHSA-N 406.270 5.219 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(C3CCC3)c2F)N1 587726254 HRMSXSFTIIWGKQ-GTJPDFRWSA-N 406.314 5.793 0 1 HKAF Cc1ccc(C)c(-n2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 587754070 KKTMMWTXVNYPEV-QRQCRPRQSA-N 413.334 5.619 0 1 HKAF CCC[C@@H](CC1(c2nc3c(C)ccnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782680 WOUAOQSVYCYBOL-FQEVSTJZSA-N 405.542 5.628 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(C)(C)C)[nH]c3ccccc23)N1 587794494 VIUUOQALBQYZIQ-YUNKPMOVSA-N 415.350 5.991 0 1 HKAF CC[C@H](C)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587805647 GWZOLNIMCFYDKT-OYMPBJRDSA-N 406.339 5.734 0 1 HKAF Cc1ccccc1-c1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587821208 TVWRPAONZUSKFM-NPMXOYFQSA-N 410.330 6.187 0 1 HKAF COc1ccc2oc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)c2c1 587826233 DRANHBHQVFVIAE-WIUDPPPLSA-N 418.306 5.449 0 1 HKAF COc1ccc2c(C)cc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)nc2c1 587862606 FGSSRVDMPAHYQD-UHFFFAOYSA-N 413.399 5.432 0 1 HKAF COc1ccc(-c2ccc(-c3nc4ncc(Cl)c(Cl)c4[nH]3)cc2)cc1OC 587928789 LTYHOMCSIHFOGC-UHFFFAOYSA-N 400.265 5.616 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2c1 587949455 HCFDOGQDGIJAQS-ZHACJKMWSA-N 414.814 7.198 0 1 HKAF Clc1ncc(Br)c2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 587954679 ATZRJEHZHIVRJK-OAHLLOKOSA-N 412.718 5.748 0 1 HKAF CCc1ccc(C(=O)CCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 587957132 QKAZTSITITWVCD-UHFFFAOYSA-N 411.530 6.218 0 1 HKAF CC/C(=C/c1nc2c(I)cnc(Cl)c2[nH]1)c1ccc(C)cc1 587966042 HIOLTJUUPQZDCE-FLIBITNWSA-N 423.685 5.475 0 1 HKAF Fc1cccc2c1[C@@]1(NCCc3cccc(-c4ccccc4)c31)c1ccccc1CC2 962665207 JOUQGSVHGOQZNF-GDLZYMKVSA-N 405.516 6.029 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1ccccc1)c1ccccc1CN1CCCC1 963233599 UTFLGELPCXNRSM-QABMSTFYSA-N 424.632 6.231 0 1 HKAF O=C(O)CCCCCC[C@@]1(c2ccc(Cl)c(Cl)c2)NCCc2ccc(O)cc21 963339772 BSBDKDSLOCVSSB-QFIPXVFZSA-N 422.352 5.514 0 1 HKAF Oc1ccc2c(c1)[C@@H](c1c(Cl)cc(Cl)cc1COc1ccc(F)cc1)NCC2 963343397 VKKKLLCDBPVYBP-QFIPXVFZSA-N 418.295 5.652 0 1 HKAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CCCc1ccccc1)c1ccc(F)cc1 963638773 UXLLJKVAFAVNHM-XHCCPWGMSA-N 419.540 5.644 0 1 HKAF CSc1cc([C@@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)ccc1O 963833439 VWSVHAMPUXKXPT-DEOSSOPVSA-N 416.546 5.410 0 1 HKAF COc1c(C)cccc1-c1cc(Cl)cc([C@@H](CC(=O)O)c2ncc(C)s2)c1 1772635324 GXMQZTLASUAEBS-GOSISDBHSA-N 401.915 5.696 0 1 HKAF CN(C/C=C/C=C/C=C/c1ccc(C(F)(F)F)cc1)Cc1ccc2c(c1)OCCO2 1857537450 OVGHVDBMUXRMSA-NYYLHBDNSA-N 415.455 5.734 0 1 HKAF COC(=O)[C@@H](NC(=O)[C@]1(C)CCC[C@@H]2[C@H]3CCC(C(C)C)=CC3=CC[C@H]21)C(C)C 1857554849 HDHVUIVWSZDZQY-WUDUDLAESA-N 401.591 5.045 0 1 HKAF Clc1cccc(N2CCN(CCCOc3ccc4ccccc4c3)CC2)c1Cl 1857655326 QAKAHVIIXGWTQO-UHFFFAOYSA-N 415.364 5.738 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(O)=CC[C@]4(C)[C@H]3CC[C@]12C 2356515153 CPTCHGRDJMOIJZ-UWOLELHYSA-N 400.691 8.406 0 1 HKAF CC(C)[C@@H](O)CC[C@H](C)[C@@H]1CC=C2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356631906 SAXMHLJORFYZHZ-DIHVHAJISA-N 418.662 5.330 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4C[C@H](O)CC[C@@H]4[C@@H]3CC[C@@]12C)C(C)C 2356678628 NJKOMDUNNDKEAI-AEFXCGEFSA-N 414.718 8.025 0 1 HKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356797956 OQSIUSSWMZBKFL-CYVQKTMFSA-N 416.646 6.453 0 1 HKAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 4215643 ACBMSPMHMQVVQG-PKTZIBPZSA-N 410.558 5.907 0 1 HKAF C[C@H]1Oc2c3c(c4c(-c5ccccc5)cc(=O)oc4c2[C@@H](O)[C@H]1C)OC(C)(C)C=C3 6499577 BXENDTPSKAICGV-QTCYRWPVSA-N 404.462 5.095 0 1 HKAF Clc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 13494215 BMADRCROWSEDCC-UHFFFAOYSA-N 419.996 6.748 0 1 HKAF O=C1Nc2ccccc2[C@H](c2ccccc2)N1C1CCN(CCc2ccccc2)CC1 13553581 IMWOMJOKIMMICC-SANMLTNESA-N 411.549 5.331 0 1 HKAF C[C@@H]1[C@H](O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@](C)(Cc3c[nH]c4cc(O)ccc34)[C@H](C)CC[C@@]21C 14684956 NWKNHNUJGTXAFZ-RNDLPWEESA-N 423.641 6.682 0 1 HKAF biogenic O=C(c1cn(Cc2ccc(F)cc2)c2ccccc2c1=O)c1cccc2ccccc12 28864789 XAGIYBRMDHASIC-UHFFFAOYSA-N 407.444 5.573 0 1 HKAF CC1(C)C[C@@H](NC(=O)Nc2cccc(Cl)c2)c2cc(Br)ccc2O1 35943324 HLXNKMOLEFMIFG-OAHLLOKOSA-N 409.711 5.526 0 1 HKAF C[C@@H](C(=O)OCCc1ccccn1)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 39308668 MSITXWHXNVQEKN-KPFFTGBYSA-N 409.551 5.066 0 1 HKAF O=c1cc(NCCCNCc2ccc(Cl)c(Cl)c2)[nH]c2ccc(Cl)cc12 45195697 LFFZHWJBDHYJCB-UHFFFAOYSA-N 410.732 5.080 0 1 HKAF S=c1n(-c2ccc(OCc3ccc(Cl)cc3)cc2)c(=S)n2n1CCCC2 59705378 ICWZLHMSHBPTCG-UHFFFAOYSA-N 403.960 5.565 0 1 HKAF CC(C)=CCCC/C(C)=C/c1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O 59776591 BYNSAEDEZFVSHZ-MVLVPLOLSA-N 408.494 6.050 0 1 HKAF Cc1ccccc1-c1nc(N2C[C@H](C)C[C@@H](C)C2)ncc1-c1nc2ccccc2s1 82177468 VFMPRFDYCLCOTN-IAGOWNOFSA-N 414.578 6.211 0 1 HKAF CCCCCn1c(-c2cccnc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188119 IKFPVOVXBPWTEN-SFHVURJKSA-N 400.530 5.294 0 1 HKAF c1nc(NC2CCCCCC2)c2nc(C3CCCCC3)n(CCN3CCCCC3)c2n1 82189864 FKDOCLSOMKOZMN-UHFFFAOYSA-N 424.637 5.495 0 1 HKAF CCCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccccc2)n1 82219577 KXJYYEHTNYQTCV-UHFFFAOYSA-N 416.550 6.155 0 1 HKAF CC(C)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC(C)(C)C)c2cccnc2)cc1 95595484 AZSKMWDSWHSDHV-QFIPXVFZSA-N 419.525 5.101 0 1 HKAF O=C1NC2=C(CNC/C2=C\c2cccc3ccccc23)[C@H](c2cccc3ccccc23)N1 96270585 HJLNAOWFRZQKHV-FLNWLJMPSA-N 417.512 5.288 0 1 HKAF C[C@@H](NCCc1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118932512 LFPKSAIPLRXRML-VEVYEIKRSA-N 421.669 6.147 0 1 HKAF C[C@H]([C@H]1CC[C@@H](C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 152930617 AFEXHFWTRVEKQA-APJZCTHYSA-N 414.630 6.192 0 1 HKAF COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(-c4cn[nH]c4)c3c2)cc(Cl)c1O 203988262 SEOSUUXOPMDFLW-UHFFFAOYSA-N 419.868 5.252 0 1 HKAF COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(Cc3ccc(Cl)cc3)CC1)C2 205506806 VGQNXCDLTRSTAF-LJQANCHMSA-N 413.945 5.015 0 1 HKAF Cc1ccc2nc(-c3ccc(-c4c(C)noc4C)cc3)c(NCc3ccccc3)n2c1 299833280 KKSVRZKAQJSMDT-UHFFFAOYSA-N 408.505 6.194 0 1 HKAF CSc1nc(NCCc2cccc(Cl)c2)c2cnn(/C=C/c3ccccc3)c2n1 473136670 UEZMCOBJEQJJJY-ACCUITESSA-N 421.957 5.484 0 1 HKAF CC(C)Oc1cc2nc(-c3cccc4c3OCC4(C)C)[nH]c2cc1Br 586911974 NDFSXZJRODOSQK-UHFFFAOYSA-N 401.304 5.450 0 1 HKAF Cc1ccc2c3c(cc(/C(=C/N(C)C)c4ccc(Cl)cc4)nc13)-c1ccccc1C2=O 586993718 PZCXGSNYKKLYGY-HZHRSRAPSA-N 424.931 6.359 0 1 HKAF CC(=O)c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 586996973 ACYFEAUHFMVWET-DHZHZOJOSA-N 407.267 5.958 0 1 HKAF Cc1nc(COc2cccc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2)cs1 587020247 JUZRGQLLFRYVIQ-UHFFFAOYSA-N 423.847 6.246 0 1 HKAF COc1cc(OC)c2[nH]c(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)nc2c1 587083133 IBQMZJIVORRSMB-UHFFFAOYSA-N 419.868 6.017 0 1 HKAF O=C1Cc2nc3cccc4c3c(c2[C@H](c2ccc(Cl)cc2)C1)-c1ccccc1C4=O 587103536 JBKVGFMGXWJSQQ-FQEVSTJZSA-N 409.872 5.747 0 1 HKAF FC(F)(F)Sc1ccc(/C=C\c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 587124070 ICJKQCPBYPKMMH-JYRVWZFOSA-N 412.436 7.138 0 1 HKAF CC(C)Oc1cc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2cc1Br 587176207 HOBSAXZVPVXXDU-UHFFFAOYSA-N 415.266 5.049 0 1 HKAF Cc1c(C)c2cc(Cl)c(O[C@H](C)c3cc4c5c(cccc5n3)CC4)cc2oc1=O 587209526 QOMHCBXULSXWNI-CQSZACIVSA-N 405.881 5.850 0 1 HKAF Cc1c(Br)ccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 587224144 FMIXKBFLGYMHRD-INIZCTEOSA-N 408.340 5.390 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCc3c2[nH]c2ccc(F)cc32)[C@@H]1c1ccc(F)cc1 587329096 CFKDOZYUXCGQSH-RDGATRHJSA-N 417.411 5.352 0 1 HKAF CCC(=O)Nc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587335312 LCATXYFLGUKEDB-ZCYQVOJMSA-N 419.452 5.154 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1Br)[C@@H](C2)C3=O 587412638 JNNYLZYNWFKVML-FDDCHVKYSA-N 421.290 5.149 0 1 HKAF COc1cc2c3c(c1)O[C@](Cc1ccc(F)cc1)(c1ccccc1Cl)[C@@H](C2)C3=O 587427909 JRKBQHJXZCEGSV-YADARESESA-N 408.856 5.373 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(COc1ccc(-c4ccc(C)cc4)cc1)[C@@H](C2)C3=O 587438511 GGOLUOCERXEYFG-BKMJKUGQSA-N 400.474 5.256 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1cccs1)[C@@H](C2)C3=O 587450942 MGIUCOUDUNPLAL-BXKMTCNYSA-N 414.486 5.098 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)nc1NC(=O)C(C)(C)C)CC2=O 587459720 FXLJUCDVPWZQNR-QGZVFWFLSA-N 416.905 5.084 0 1 HKAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(C13CC4CC(CC(C4)C1)C3)CC2=O 587466712 BAVUCLBWOKWHTD-HFTDOCNOSA-N 409.570 5.340 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc3c1cnn3[C@H]1CCCCO1)CC2=O 587474570 GDJJHQBPNCOMJO-DHIUTWEWSA-N 406.482 5.100 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1cccc(C(=O)O)c1)CC2=O 587480027 DUKTXHMPLAKAHL-HSZRJFAPSA-N 402.446 5.416 0 1 HKAF O=C1C[C@]2(CCCOc3c2ccc(Cl)c3Cl)Oc2c1ccc1c2CCCC1 587499641 MBIUAOZQLPXIJR-QFIPXVFZSA-N 403.305 5.906 0 1 HKAF Cc1ccc(O)c([C@@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587506824 PKQNFKDAPWLRCP-SANMLTNESA-N 418.920 6.142 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(Cl)c(Cl)c1 587541888 GOPKBDPFXPTEJU-JXFKEZNVSA-N 421.663 6.055 0 1 HKAF CC[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548941 PAAQJEOZKMCKRJ-KNQAVFIVSA-N 414.379 5.678 0 1 HKAF C[C@]1(Cc2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549090 PUZWPANHAGEQIM-SIKLNZKXSA-N 414.379 5.374 0 1 HKAF Cc1ccc2nc(Cl)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1 587551784 JNODMOGKFWSMFN-NZQKXSOJSA-N 417.848 5.605 0 1 HKAF CCc1ccccc1-n1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587577036 LPLSTBPBRDMHGJ-JYFHCDHNSA-N 411.457 5.448 0 1 HKAF O=C(c1cccc(Cl)c1)c1c(-c2cccc(Cl)c2)[nH]c2cc(Cl)c(F)cc12 587629209 YQCFAQVXOVPPQL-UHFFFAOYSA-N 418.682 7.165 0 1 HKAF COc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccc3ccccc3n2)cc1 587632846 SGGJSBVACABNOX-UHFFFAOYSA-N 402.856 6.851 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C)c(-c3nc(=NC(=O)c4ccc(F)cc4)s[nH]3)c2c1 587642677 PHNAADZANZRPRS-GFCCVEGCSA-N 408.502 5.322 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)cc2N2CCCC2)N1 587726452 IQLWASWZMVLDJF-ASSNKEHSSA-N 421.329 5.125 0 1 HKAF COc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587755726 QILFAQOFZXQVEH-ASSNKEHSSA-N 415.306 5.011 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(-c3ccccc3)cc2)N1 587813715 PJOWIBXCMCSXAV-VOIUYBSRSA-N 424.357 6.247 0 1 HKAF Cc1ccc(-c2csc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2)cc1 587851169 BELANEIIMYPHQC-CWTRNNRKSA-N 417.347 5.644 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C(F)(F)F)ccn1 587855194 LTLKEECGPFUOKM-UHFFFAOYSA-N 402.203 5.659 0 1 HKAF Cc1ccn(CCc2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)n1 587922983 KZMZZPCCFHBQEL-UHFFFAOYSA-N 402.498 5.845 0 1 HKAF CC12C[C@H]3CC(NC(=O)c4cc(Cl)c(N)c(Cl)c4)(C[C@@H](C1)c1ccccc13)C2 653796401 JRYGNZYVONCUSE-CBKSTNSXSA-N 415.364 5.909 0 1 HKAF Cc1cccc([C@]2(C(C)(C)C)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c1 962708439 ZAYKHTSOQSDEGE-NQIIRXRSSA-N 409.423 5.042 0 1 HKAF CCO[C@H]1C[C@@]2(NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)C12CCCCC2 962959879 RBUYHGBBUIQEFZ-REWPJTCUSA-N 423.519 5.311 0 1 HKAF COc1cccc2cc3c(nc12)[C@]1(C=C(Nc2ccccc2F)CC(C)(C)C1)NCC3 963031056 GYNROBHEXVDEJT-AREMUKBSSA-N 417.528 5.540 0 1 HKAF COc1ccc([C@@]2(CCc3c(C)cccc3C)NCCc3c(C(=O)O)cccc32)cc1 963150164 QQCDTXFTEAIGSJ-HHHXNRCGSA-N 415.533 5.032 0 1 HKAF CC(C)Cc1cc(CCC(=O)O)ccc1OCc1ccccc1SC(F)(F)F 1772616880 NYSBKHIOHITXBV-UHFFFAOYSA-N 412.473 6.093 0 1 HKAF Cc1cc(Cl)cc2c1N[C@@H](c1c[nH]nc1-c1ccc(-c3ccccc3)cc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c1ccc(Cl)cc1)c1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 205215133 IVSXLFJGSUTFNY-LJQANCHMSA-N 409.898 5.809 0 3 HKAF O=C(N[C@H]1CCCN2c3cc(Cl)ccc3Sc3ccccc3[C@H]12)C(F)(F)F 3818363 SAFRZFXMHWSCDN-SUMWQHHRSA-N 412.864 5.193 0 1 HKAF COc1cc2ccn(Cc3ccccc3)c3cc[n+](Cc4ccccc4)c(c1OC)c23 3949308 PNHZFPHGEAUOSB-UHFFFAOYSA-N 409.509 5.196 0 1 HKAF CC1(C)C[C@@H](NCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 4665163 PZURXKVDEJINQZ-HSZRJFAPSA-N 418.512 5.148 0 1 HKAF CCc1nc2c(-c3ccc(OC)nc3C(F)(F)F)ccnc2n1[C@H](CC)CCOC 13487163 UHKDJZXIGPFTOJ-CYBMUJFWSA-N 422.451 5.071 0 1 HKAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@@H](C)c3ccccc3)c2)n1C 13524489 MQFHPDFEZJZDIR-INIZCTEOSA-N 418.541 6.183 0 1 HKAF COc1ccccc1CNCc1c(-c2ccccc2)c2cc(C)c(C)cc2c(=O)n1C 13742633 LCUWMEPHTNUQOY-UHFFFAOYSA-N 412.533 5.121 0 1 HKAF CC1(C)CCC(C)(C)c2cc3c(cc21)CCc1c(-c2ccc(C(=O)O)cc2)ccnc1-3 13742719 WXGNIVSLYMZMSJ-UHFFFAOYSA-N 411.545 6.561 0 1 HKAF CCC(CC)CC1(C(=O)Nc2ccccc2SC(=O)C(C)(C)C)CCCCC1 13813341 MJLUTSZKWAWVAY-UHFFFAOYSA-N 403.632 7.067 0 1 HKAF Cc1cccc(C)c1C(OC[C@H](O)CN1[C@@H](C)CCC[C@H]1C)c1c(C)cccc1C 28222356 HQNAZSBHKFCMGR-TZRRMPRUSA-N 409.614 5.650 0 1 HKAF CSc1ccc(-c2ccc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc2)cc1 28364354 WZCURRJAZZRRKH-HSZRJFAPSA-N 402.563 5.080 0 1 HKAF CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2[C@@H](c2ccccc2Cl)C1 28893060 FLLOSWVXSHXQDY-QHCPKHFHSA-N 416.968 5.120 0 1 HKAF CCN(CC)C(=O)Oc1ccc(C2(c3ccc(N(C)C(C)=O)cc3)CCCC2)cc1 28950154 DDORPMXTTJCWGX-UHFFFAOYSA-N 408.542 5.370 0 1 HKAF COc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1O[C@@H]1C[C@H]2CC[C@@H]1C2 29463027 JITWRUMFYWXWGT-VEVIJQCQSA-N 406.309 5.822 0 1 HKAF CCCOC(=O)c1c(CC)nc(-c2cccc(Cl)c2)c(C(=O)OCCC)c1CC 34800810 JROFDUVZZADJRJ-UHFFFAOYSA-N 417.933 5.660 0 1 HKAF CN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)C12CC3CC(CC(C3)C1)C2 35190768 LSQFIEWUPYYVQX-UHFFFAOYSA-N 411.977 5.365 0 1 HKAF O=C(/C=C/c1ccc(Cl)cc1)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 39233057 VSZUBNPCTJRESX-DPAQFELZSA-N 421.711 5.841 0 1 HKAF CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2Nc1cc(O)ccc1C 40420963 MTDFQMYFYJEABK-NRFANRHFSA-N 416.565 6.386 0 1 HKAF Cc1cc(NCCNC2CCCC2)n2nc(C)c(-c3c(Cl)cccc3Cl)c2n1 71341056 QWBDMPTVXYWNBF-UHFFFAOYSA-N 418.372 5.264 0 1 HKAF CC[C@H](C)Nc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccccc2)n1 82134186 JDGJOUNORDKIEF-IBGZPJMESA-N 402.542 5.405 0 1 HKAF Cc1nc(-c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccco2)oc1C 82165204 BQRNMEJATMWWKL-UHFFFAOYSA-N 414.387 5.639 0 1 HKAF CC1(C)Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2-c2cc(Br)ccc21 84635707 MYQSTORMTCKFRZ-UHFFFAOYSA-N 421.260 6.154 0 1 HKAF CC(C)c1c(O)ccc2c1CC[C@H]1C(C)(C)c3c(cnn3-c3ccccc3)C[C@]21C 95577771 PCMCBRGOMIGXFI-WNCULLNHSA-N 400.566 6.055 0 1 HKAF CCCCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccncc1 100703690 XXKGOCPIKOSSNP-MRXNPFEDSA-N 410.543 5.320 0 1 HKAF CN1[C@H]2CC[C@@H]1C[C@@H](O[C@H](c1ccc(F)cc1)c1ccc(Br)cc1)C2 100834200 UYDBIVZVAQJVFB-WOZUAGRISA-N 404.323 5.319 0 1 HKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(Oc2ccccc2Br)nn1 103193092 YCVXVXUMIKMESY-UHFFFAOYSA-N 409.205 6.026 0 1 HKAF Clc1ccc(C23CCN(CC2)Cc2cc(Oc4cnccn4)ccc23)cc1Cl 114346598 YYPCUZDBNVUASA-UHFFFAOYSA-N 412.320 5.471 0 1 HKAF COc1cccc([C@]2(O)/C(=C/c3ccccc3)CCC[C@@H]2CN(C)c2ccccc2)c1 169301488 QHGNABMBLIIATG-DZTQIZMUSA-N 413.561 5.903 0 1 HKAF O=C(/C(=C(\C1=CCCc2ccccc21)c1ccccc1)c1ccccc1)N1CCCC1 169345513 SWMCLSYXVAMGAD-DQSJHHFOSA-N 405.541 6.250 0 1 HKAF C[C@@]12CCC[C@@](C)(C(=O)OC[Si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c1cc(-c2nc3nc(Br)ccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586878335 DGEDSQOBGWOVQD-UHFFFAOYSA-N 408.255 5.061 0 1 HKAF CC(C)COc1cc2nc(-c3ccccc3/C=C/C(=O)O)[nH]c2cc1Br 586880940 DKAGTUQPUSHCEU-BQYQJAHWSA-N 415.287 5.125 0 1 HKAF Clc1cc(Cl)c(Br)c(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 586975064 JUSJYZBVFJCYAG-UHFFFAOYSA-N 400.059 5.070 0 1 HKAF O=C1c2ccccc2-c2cc([C@@H]3CC=C(Br)CC3)nc3ccc(O)c1c23 586985925 MJBUJXODWPNLAX-GFCCVEGCSA-N 406.279 5.698 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(N4CCCCC4)cc3)nc3ccc(O)c1c23 586987994 KDWSTQCQLSNMBZ-UHFFFAOYSA-N 406.485 5.809 0 1 HKAF Cc1nccc2[nH]c(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)nc12 587014281 OCPAIEMFTXLIEV-UHFFFAOYSA-N 421.526 5.328 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4cnc(C(F)(F)F)cc4[nH]3)cc2)n1 587020323 NJSHZBIWHFJDCR-UHFFFAOYSA-N 406.458 5.701 0 1 HKAF COc1cncc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c12 587038707 QIUIDVWBDSLEOB-UHFFFAOYSA-N 419.535 5.239 0 1 HKAF FC(F)(F)CSc1cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)ccn1 587092915 IBXMDTLNHLTGOF-UHFFFAOYSA-N 401.413 6.072 0 1 HKAF FC(F)(F)c1cc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)cc(C(F)(F)F)c1 587109252 DNBKPDCXPQZDGC-UHFFFAOYSA-N 414.136 5.893 0 1 HKAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2c(Cl)ncnc2[nH]1 587122619 VDWCRGKTVVBGLV-UHFFFAOYSA-N 411.796 5.004 0 1 HKAF Cc1cc(Br)cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587153242 XIHOTPHUJINFKN-FQEVSTJZSA-N 410.290 5.974 0 1 HKAF Clc1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cc1Cl 587183037 AFHPIAQJILDRPG-SNAWJCMRSA-N 415.061 5.645 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCCC=CCCCCCCCCC3 587208422 WFBLOQLMPYOPAF-UHFFFAOYSA-N 423.600 8.002 0 1 HKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587242742 YSQQXTQEKBCRLU-UHFFFAOYSA-N 413.521 6.184 0 1 HKAF O=C1c2ccc(O)cc2O[C@](CCc2ccccc2)(C(F)F)[C@@H]1c1ccc(F)cc1 587326112 AJDTWNCMRVIDJB-QPPBQGQZSA-N 412.407 5.527 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCc3c(F)ccc(Cl)c32)[C@H]1c1ccc(F)cc1 587335734 OPSAIAQILGQJBO-REWPJTCUSA-N 412.819 5.524 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2Nc2ccccc2)[C@@H]1c1ccc(F)cc1 587340618 WFFPNUKHNZSAIA-GSLIJJQTSA-N 417.480 5.684 0 1 HKAF COc1cccc(-c2cc(-c3ccc4c(c3)CNCC4)nc3c2oc2ccccc23)c1 587364165 YNIGJIGGQJFLMP-UHFFFAOYSA-N 406.485 5.969 0 1 HKAF Cc1nc(C2CC2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587376279 PIPMJTZHIAZZDR-WMZHIEFXSA-N 409.482 5.448 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587419614 FISXAHQTKJHBTR-GAJHUEQPSA-N 411.284 5.693 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(-c3ccc(F)cc3F)c1C)CC2=O 587465670 HAFMLGZPMFRLFT-NRFANRHFSA-N 412.436 5.132 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCCC[C@H]1CNC(=O)OC(C)(C)C)CC2=O 587471651 UXZKDRLHAQMSMS-FYSMJZIKSA-N 417.546 5.154 0 1 HKAF O=C1C[C@@H](c2ccccc2OCc2cn3ccccc3n2)Oc2c1ccc1c2CCCC1 587516445 XMERSXBNZPKXCM-VWLOTQADSA-N 424.500 5.499 0 1 HKAF O=C1C[C@@](c2ccccc2)(c2ccc3ccccc3n2)Oc2c1ccc1c2CCCC1 587523883 IFRPPCCPYFBIBX-MUUNZHRXSA-N 405.497 6.023 0 1 HKAF C[C@@]1(c2ccc(C(F)(F)F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549859 SCFGCDAHRXADNT-RXVVDRJESA-N 418.342 5.427 0 1 HKAF CC1(C)CCc2ccccc2[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587600480 BCPJPGBKBBRMQW-BKMJKUGQSA-N 400.474 5.612 0 1 HKAF Cc1c(-c2ccc(Cl)c(Cl)c2O)[nH]c2c1c(Br)cc1n[nH]cc12 587622026 UTMHISMBNQORME-UHFFFAOYSA-N 411.086 5.795 0 1 HKAF O=C(c1cccc2ccccc12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656588 NQEGGKHDCZLIQN-UHFFFAOYSA-N 412.395 5.183 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3ccc(Cl)cc23)N1 587697080 LLSPTHPLCGGAKZ-DGIBIBHMSA-N 407.714 5.521 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C23CC(CC(=O)OC(C)(C)C)(C2)C3)N1 587797874 YCETWALFZMZZRZ-XXURQJKVSA-N 424.354 5.066 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)CCC[C@@]31N[C@@H](C)Cc2cc(Br)c(F)cc21 587802162 KMGLHFFZFHCFLR-XMHCIUCPSA-N 413.334 5.492 0 1 HKAF Cc1c(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c(C)c1C=O 587819713 MRURJUDFVUVIFG-UZJPJQLHSA-N 404.323 5.258 0 1 HKAF COc1ccc2c(C)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)oc2c1 587828960 PHXSWWHZBKESFZ-GIGQVBGESA-N 404.279 5.275 0 1 HKAF CCc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)oc2ccc(C)cc12 587830338 SMEUKSUKSXKBBW-WHEQGISXSA-N 416.334 6.003 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1ccc(F)cc1F 587856294 UPWDLTVNRMJXEJ-UHFFFAOYSA-N 411.235 5.417 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CNc1ccc(C)cc1 587864579 MAHRFHFEXREETE-UHFFFAOYSA-N 403.404 5.028 0 1 HKAF Cc1c(C)c2ccc(O[C@H](C)[C@]3(C)c4c(F)cccc4C[C@H]4CCCN43)cc2oc1=O 963101088 LGNQNWQPYRUDET-MIRXNBLZSA-N 421.512 5.252 0 1 HKAF Cc1cccc2c1[C@@](CC(C)(C)C)(C1CC1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963840525 AMGQKOKBGPMGGD-KBMIEXCESA-N 415.574 5.673 0 1 HKAF Fc1ccc([C@H]2C[C@@H]2COc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)cc1 1772606908 CJOZVJDWVZKYBU-GDBMZVCRSA-N 405.395 5.022 0 1 HKAF C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)[nH]nc3c2)c1 1772645489 IYGXZGSRAHSLRJ-BPOCNNFQSA-N 421.500 5.559 0 1 HKAF COC(=O)c1ccc(COc2coc3cccc(CC4CCCCC4)c3c2=O)cc1 1857635145 KJXCXPHJVBLNLH-UHFFFAOYSA-N 406.478 5.281 0 1 HKAF CCCCc1ccc(CCc2ccc(O)c(OC[C@@H](NC)c3cc(C(C)C)c[nH]3)c2)o1 2356469756 ZXPMHWDBPIPKCZ-XMMPIXPASA-N 424.585 5.904 0 1 HKAF C[C@@H]1C=C2[C@@]3(C)CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]2(C)[C@@H]2CC(C)(C)CC[C@H]12 2356497989 FXOCQCYCKZXBIJ-UWZSSLJUSA-N 424.713 8.233 0 1 HKAF CC1(C)[C@H]2CC=C3[C@@H](CC[C@]4(C)[C@H]([C@@H]5CCC(=O)O5)CC[C@@]34C)[C@@]2(C)CC[C@H]1O 2356564532 SGQMUBHNHIZPSY-YSRLSVITSA-N 400.603 5.658 0 1 HKAF CC(C)=CCCC(=C(C)C)c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1O)CC2=O 2356610960 DMNAUYOAYXVAND-JOCHJYFZSA-N 424.493 5.755 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)C[C@H](O)[C@@]4(C)C3=CC[C@]12C 2356634189 AZXDOKXVRMMDJJ-XYFDNBGOSA-N 414.674 6.526 0 1 HKAF CC[C@@H]1C(=O)C[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CCCC(C)(C)[C@@H]5CC[C@]43C)[C@H]12 2356730289 VTXYKMSXQQAUAA-GUKUIVHHSA-N 410.686 7.987 0 1 HKAF NC1=NC[C@H](CC2CCCCC2)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 13662139 SLUMMLFVNUPJEW-KRWDZBQOSA-N 421.429 5.236 0 3 HKAF CC(C)[C@H](C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cccc2ccccc12 2480151 NVTNFFUWCLHQCR-INIZCTEOSA-N 402.469 6.075 0 1 HKAF CC(C)[C@@H](C)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)cc1F 2481955 YRTZVPYIBREDFX-GFCCVEGCSA-N 421.299 6.229 0 1 HKAF CC(C)c1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCOc2ccccc2)cc1 2483464 OSSQAMPSQHEYLA-UHFFFAOYSA-N 406.526 5.571 0 1 HKAF COc1cc(O)c(C)c(O)c1C(=O)[C@H]1CC(CCC=C(C)C)=CC[C@@H]1c1ccccc1 13410487 JOEBLRXPBOSMJF-YADHBBJMSA-N 420.549 6.464 0 1 HKAF biogenic CCCN(CCC)c1c(Cl)c(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12 13583126 XTUKDBHHGVEPLG-UHFFFAOYSA-N 414.985 5.062 0 1 HKAF Cc1cc(SCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2ccccc2n1 13744320 NXGPCSIDUWFMTK-UHFFFAOYSA-N 409.518 5.683 0 1 HKAF CS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)csc2Br)cc1 26734812 LJHFFRGTFPFMNK-UHFFFAOYSA-N 411.317 5.387 0 1 HKAF CCCCOc1ccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1OC 27106352 SQNBTWRHRDGHCM-UHFFFAOYSA-N 408.523 5.549 0 1 HKAF c1ccc(-c2ccc(CNCCCCNCc3ccc(-c4ccccc4)cc3)cc2)cc1 28260604 NNRISAGCMQVDEG-UHFFFAOYSA-N 420.600 6.680 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C 28537655 LKHNRKZLWGLUOW-GKPUGJDGSA-N 424.713 8.543 0 1 HKAF in-vitro CC(C)NC(=O)[C@H]1C[C@@H]1c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 28572275 VMALULDHNRQKJX-RPBOFIJWSA-N 400.522 5.719 0 1 HKAF CS(=O)(=O)Nc1ccc(-c2cnc3cccc(Nc4ncccc4Cl)c3c2)cc1 28957609 OVEFSTLGZKEMFM-UHFFFAOYSA-N 424.913 5.065 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C)C[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 36188557 XUTZDXHKQDPUMA-UTFHESGISA-N 415.706 7.174 0 1 HKAF C[C@]12CCC=C[C@@H]1[C@H](c1ccc(F)c(Br)c1)N(Cc1ccccc1)C2=O 36388335 HBDGXYCVVBCCOG-AGHHOFFYSA-N 414.318 5.644 0 1 HKAF C[C@H](NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1)c1ccncc1 40899358 IGISGCSZIPPMKX-IBGZPJMESA-N 423.516 5.557 0 1 HKAF CCc1ccc(CN2CC[C@@H](CNC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 45189566 VUBRTWUHNGOBNY-FQEVSTJZSA-N 422.569 5.369 0 1 HKAF CC1(C)[C@H]2CC[C@H](CNc3cc(Oc4ccc5oc6ccccc6c5c4)ncn3)[C@@H]1C2 82067325 PLDJJORFZFHCHH-WWMYMODYSA-N 413.521 6.653 0 1 HKAF Cc1ccc(CCNc2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccco3)n2)cc1 82142163 DJYSCRDTEYFKHL-NQIIRXRSSA-N 418.541 5.008 0 1 HKAF CCC(CC)c1nc2c(NCc3ccccc3C)ncnc2n1CCc1ccccn1 82180500 FIKJLRWNLPTTKW-UHFFFAOYSA-N 414.557 5.288 0 1 HKAF O=C(c1nc(-c2ccccc2Cl)c2cc(Cl)ccc2n1)N1CCCCCC1 84688849 RHKQLDCOJCWNSP-UHFFFAOYSA-N 400.309 5.620 0 1 HKAF O=C(O)c1ccc(N(Cc2ccccc2)Cc2ccc(Oc3ccccc3)cc2)cc1 84741943 AKSPIFIPBJLDQC-UHFFFAOYSA-N 409.485 6.384 0 1 HKAF CCN(CC)c1ccc(Nc2nc(-c3ccc(-n4ccnc4C)cc3)cs2)c(C)c1 95580445 SFTXTJWMLLNEGG-UHFFFAOYSA-N 417.582 6.202 0 1 HKAF C/C=C(/CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118937146 ARTLJRSXUMKHFS-GCBMXRRSSA-N 412.702 8.233 0 1 HKAF endogenous,in-man CCC[C@@H](Nc1cncc(-c2ccc(CN3CCCCC3)cc2)n1)c1ccccc1 136508690 MKHOOWPMOHSPHU-XMMPIXPASA-N 400.570 6.083 0 1 HKAF [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)[C@H](C)O)c(C)c1Cl 146533302 LWSIOFJPNMXDSO-APPDUMDISA-N 403.269 5.437 0 1 HKAF CCC(=O)N1CCC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1 169276586 KIEZLPMOLUQTDT-IFSOPIRISA-N 406.614 5.966 0 1 HKAF CC/C1=C(/c2ccccc2)c2ccc(OC[C@@H](O)CO)cc2SCc2ccccc21 169366317 AVLURXTUGTUGMU-RBGNBHCBSA-N 418.558 5.393 0 1 HKAF COC(=O)C1=C(C)N=C2C[C@H](C(C)C)CC(=O)[C@@H]2[C@@H]1c1ccc(-c2ccccc2)cc1 169728316 RTIUJDYMWVKLOA-RMUDUWAUSA-N 415.533 5.590 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C/C(C)C)C1 238734221 SAWMHXICEQYKKZ-CHXPRAIRSA-N 414.674 7.425 0 1 HKAF Cc1cc(OCc2ccc(F)cc2F)cc(=O)n1Cc1ccc(C(F)(F)F)cc1 473125498 QDHUCLNBPNOHIV-UHFFFAOYSA-N 409.354 5.081 0 1 HKAF Cc1cc(Br)ccc1OCc1nc2cccc(OCc3ccccc3)c2[nH]1 586981619 RLHIGOIMJXWAMK-UHFFFAOYSA-N 423.310 5.792 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1[nH]c2ccc(Cl)cc2c1CC3 586985328 FPUMKVLZAZRPLY-UHFFFAOYSA-N 422.871 6.052 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cccc(Br)c3F)nc3ccc(O)c1c23 586989139 YOKJIAPBJWNPRF-UHFFFAOYSA-N 420.237 5.720 0 1 HKAF c1cc(-c2ccsc2)cc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 587027037 MTDKDXSJQUCKNG-UHFFFAOYSA-N 409.539 7.235 0 1 HKAF COc1cc(/C=C\c2nc3ccc4ncccc4c3[nH]2)cc(Cl)c1OCC(C)C 587047606 YPEDBMLDWKGEHV-TWGQIWQCSA-N 407.901 5.978 0 1 HKAF CCOC(=O)Cc1ccc2nc(-c3ccc(-c4cccc(OC)c4)cc3Cl)[nH]c2c1 587051825 FPMLPPHEYGBTMB-UHFFFAOYSA-N 420.896 5.665 0 1 HKAF CCOc1ccccc1[C@@](N)(c1nc2cc(Cl)cc(Cl)c2[nH]1)C(F)(F)F 587091858 GXFFGLHWPSXUKM-MRXNPFEDSA-N 404.219 5.033 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC[C@@](C(=O)O)(c1ccccc1)C4)-c1ccccc1C2=O 587100939 IZJOQWBUGLJPCN-NDEPHWFRSA-N 419.480 5.266 0 1 HKAF Cc1c(-c2cc(Br)ccc2F)nc2cccc3c2c1-c1ccccc1C3=O 587103197 HISPNGKJTUKEOX-UHFFFAOYSA-N 418.265 6.323 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(Cl)c4ccccc4c3O)nc3cccc1c23 587103392 HAOYQYSJHIGNCH-UHFFFAOYSA-N 407.856 6.625 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(S(=O)(=O)C(F)F)cc3)nc3cccc1c23 587104619 ZPLGFDOMOYAIPO-UHFFFAOYSA-N 421.424 5.110 0 1 HKAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587195806 NNRGCLFGGDCGJM-JTQLQIEISA-N 412.253 5.562 0 1 HKAF Cc1c(Br)cc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2c1C 587243555 GCEZUEIKJDXPQU-UHFFFAOYSA-N 420.310 5.862 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(-c4ccc5ccccc5c4N)[nH]c3c2)cc1 587254258 XYYUHJLEFHTTDY-UHFFFAOYSA-N 409.445 5.544 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3ccc(Cl)nc32)[C@@H]1c1ccc(F)cc1 587330752 OYVZXECPJAIQDO-OFNKIYASSA-N 409.844 5.170 0 1 HKAF COc1ccc([C@H](C)[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587352018 NSOPZULWKGRLTB-RKPBBICVSA-N 406.453 5.461 0 1 HKAF COc1cccc(-c2cc(Cn3nc(C)c(Cl)c3C)nc3c2oc2ccccc23)c1 587359434 YJYOWWCFTZQEBM-UHFFFAOYSA-N 417.896 6.172 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccc(NC(=O)c4ccccc4Cl)c1)[C@@H](C2)C3=O 587421131 TWVKFCQOTLHREL-FDDCHVKYSA-N 419.864 5.090 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1sc(Nc4ccc(F)cc4)nc1C)[C@@H](C2)C3=O 587429071 SAHKSTRXTXWFRM-KSFYIVLOSA-N 410.470 5.006 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(C(C)(C)C)cc(C(C)(C)C)c1OC)[C@@H](C2)C3=O 587444052 RQRBTHKLOKULOQ-GAJHUEQPSA-N 408.538 5.788 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)cc(OC(F)(F)F)c1)CC2=O 587464622 USEQTDJQGJATPV-IBGZPJMESA-N 414.807 5.777 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCF)(c1ccccc1Br)CC2=O 587466156 MITNTXBPBHLZDQ-FQEVSTJZSA-N 407.279 5.328 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1cc(Br)ccc1F)(C1CC1)CC2=O 587466607 MNICPYARBLBSLC-OAQYLSRUSA-N 419.290 5.517 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1sc(N(C)C)nc1-c1ccccc1)CC2=O 587494283 KQKUFJIUPAJCIO-IBGZPJMESA-N 408.523 5.241 0 1 HKAF C[C@@]1(c2cc3cccc(Br)c3o2)CC(=O)c2ccc3c(c2O1)CCCC3 587495073 BOLXXOODZVJWCX-QFIPXVFZSA-N 411.295 5.955 0 1 HKAF CC(C)(C)OC(=O)NC[C@H]1CCCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587511728 NCYYGACXFLJKBJ-CJAUYULYSA-N 413.558 5.374 0 1 HKAF Cc1cc(CN2CCC[C@H](C)C2)c(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587513192 IQKVHKLDNYNCAH-MYUZEXMDSA-N 417.593 6.121 0 1 HKAF Cc1nc(-c2ccccc2)nc(S)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587534271 YGRSOIAQNICMDL-RUZDIDTESA-N 416.546 5.500 0 1 HKAF CCCCC[C@@H](C)CNC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660447 FQUNRPXKHMSLLF-MRXNPFEDSA-N 411.546 5.142 0 1 HKAF COc1c(Cl)cc(Cl)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587691129 CFVAEFHBSLKNCQ-BCTVWOGZSA-N 419.121 5.527 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncc(Cl)cc2Cl)N1 587692034 AMTLQJZBVXLCSA-VPTHRUTESA-N 404.110 5.088 0 1 HKAF CC(C)C[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587694986 AXHIWEIUMSSBGV-RNODOKPDSA-N 410.758 6.066 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(Cl)c3)o2)N1 587700746 LZZMOSMUXRLVOH-BIBXISHDSA-N 420.709 6.125 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(C(F)(F)F)ccc32)N1 587709844 BDZCOFDEHSGKRM-YPMLDQLKSA-N 414.240 5.331 0 1 HKAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)c1 587713635 TYRMVUMOFOZFTD-VVVCHXIZSA-N 418.228 5.239 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccc(C(F)(F)F)cc2)N1 587717960 YFCSSFFUQLOPQX-WLWFQKCCSA-N 414.240 5.896 0 1 HKAF COc1c(F)cc(CC[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587718911 KCBAKGCHHLZKOG-XTZNXHDOSA-N 414.265 5.083 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2[nH]c2ccc(F)cc32)N1 587728512 FNODTDATWBEKHW-WSVYEEACSA-N 417.297 5.323 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCC(=O)Cc2ccc(F)cc2)N1 587729213 CIXRUDMTORXIAU-LRTDBIEQSA-N 422.313 5.285 0 1 HKAF Cc1ccc([C@@]2(c3ccccn3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587774482 VKNFVLCCKNQIPE-QRQCRPRQSA-N 411.318 5.118 0 1 HKAF COc1ccc2[nH]c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)c2c1 587801071 DBWRUYKMUPZXMR-CFMSYZGJSA-N 403.295 5.010 0 1 HKAF CC[C@H](C)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587805645 GWZOLNIMCFYDKT-BYVOGVQKSA-N 406.339 5.734 0 1 HKAF COc1cc2ccccc2cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587805699 FWEVWEGIWYDEJP-XUSGNXJCSA-N 400.291 5.374 0 1 HKAF Cc1ccccc1-c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587820915 RGCIIKDKSLPKPF-IQMFZBJNSA-N 410.330 6.187 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2Cc2ccccc2)N1 587824769 YKVZHWHODRWPIJ-FXCLAUTBSA-N 402.351 5.751 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2\CCCO2)(c2ccccc2)N1 587831815 ABXLAMMDLLBJJT-VOGBJZLNSA-N 402.307 5.060 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2sccc2Br)N1 587847417 XNQZOUMUOROMGT-GLEZIHRCSA-N 419.157 5.210 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)CN1CCCCC1 587859775 LQSSHVPQPWTTBE-AWEZNQCLSA-N 410.345 5.018 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3Br)NCCc3ccc(F)c(C)c32)nc1 962150355 ZDWXAFUVZYAMSO-JOCHJYFZSA-N 411.318 5.038 0 1 HKAF CC(C)[C@]1(c2ccc([C@H](C)C(=O)O)cc2)c2ccsc2CCN1Cc1cccn1C 962369440 DGSUCDJKILWXOE-BVZFJXPGSA-N 422.594 5.233 0 1 HKAF Fc1cc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)ccc1OC(F)F 962635246 HUGOUNYLSABNBS-HYBUGGRVSA-N 424.466 5.263 0 1 HKAF Fc1ccc(-c2nc3ncccn3c2[C@H]2NCCc3cccc(-c4ccccc4)c32)cc1 962676538 ZNTLKNUKIDIXBV-VWLOTQADSA-N 420.491 5.438 0 1 HKAF C[C@H](Oc1cccc(Cl)c1)[C@@]1(C)c2cccc(F)c2CCN1[C@H]1CCSC1 962701530 GRWJZUVQUXVEGC-YHEJKZAPSA-N 405.966 5.525 0 1 HKAF Cc1cc([C@@]2(CC(=O)C(F)(F)F)c3ccsc3CCN2Cc2ccco2)c(C)o1 962707916 PIKQAXXXGYPDKM-HXUWFJFHSA-N 423.456 5.374 0 1 HKAF Oc1ccc2c(c1)[C@H](c1cn(Cc3ccccc3)nc1-c1cc3ccccc3o1)NCC2 963352490 LSNRNCGMJZIZOI-AREMUKBSSA-N 421.500 5.285 0 1 HKAF COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccc(Cl)c4)c(N)oc3c2)cc1 1772570885 OECGADSNFRRSEK-UHFFFAOYSA-N 407.853 5.936 0 1 HKAF CC(C)[Si](c1ccc(CNC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1)(C(C)C)C(C)C 1772586241 KFOQDSPYRHQUSK-VIWCIXJMSA-N 413.722 5.746 0 1 HKAF CCCCCCOc1cc2c(cc1OCCCCCC)[C@@H]1C[C@H](O)C[C@@H](C)N1CC2 1857553319 JHIZGYUWRWHXAP-BKULYWANSA-N 417.634 6.047 0 1 HKAF CC(=O)OC=CC(=COC(C)=O)CCC=C(C)CC[C@@H]1C(C)(C)CCC[C@@]1(C)O 2356501401 YULSAIDMTJJFTN-ISKFKSNPSA-N 406.563 5.594 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1[C@H](O)CC[C@@]2(C)[C@@H]([C@](C)(O)CCCC(C)C)CC[C@H]12 2356615794 KTYZDHZUHRTLRD-KPBLZALBSA-N 416.646 6.014 0 1 HKAF CC(C)=CCC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356688337 WGQQVYQFMINSIL-UIDCAZIFSA-N 414.674 6.504 0 1 HKAF C[C@H](C=CC(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3 2356728899 XFAZQRAVFBWICT-NZVGKAONSA-N 414.630 6.374 0 1 HKAF CCCCNC(=O)[C@]1(C)CCCCN1C(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C 61903013 YNUKSYDWCWHQQN-SANMLTNESA-N 412.618 5.337 0 3 HKAF O=C(NC1CCCC1)[C@H](C1CC1)n1c(-c2ccnc3ccccc23)nc2ccccc21 95599138 MWRGTEZSELSOBT-DEOSSOPVSA-N 410.521 5.261 0 3 HKAF O=C(Nc1ccc(Cl)cc1)c1csc([C@@H](O)c2cccc(C(F)(F)F)c2)n1 206058032 XEUFKZWOXBDMDW-HNNXBMFYSA-N 412.820 5.149 0 3 HKAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCCc1ccc(F)cc1 775479 QFNMRSRMCSLVHO-UHFFFAOYSA-N 410.489 5.149 0 1 HKAF COc1ccc(-c2noc(-c3cccc4ccccc34)c2C(=O)N[C@H](C)C(C)C)cc1 2480825 NQZAKAHGFDWQFD-QGZVFWFLSA-N 414.505 5.945 0 1 HKAF CCCCN(CCCC)C[C@@H](O)c1cnc2c(Cl)cc(Cl)cc2c1Cl 5973452 MCDGUEHAGZGJCK-QGZVFWFLSA-N 403.781 6.131 0 1 HKAF CC(C)=CCc1c(-c2ccc(O)cc2O)oc2cc(O)c(/C=C/C(C)C)c(O)c2c1=O 13373148 ZKLKJLSAAKJRDT-VMPITWQZSA-N 422.477 5.460 0 1 HKAF COc1ccc2c(O)c([C@@H](C)/C(C)=C/C/C=C(\C)Cc3cc(C)co3)c(=O)oc2c1 15219214 BPQMZQHENRZFOK-IXRGQLGZSA-N 408.494 6.038 0 1 HKAF in-vitro COc1ccc([C@@H]2[C@@H](CCCc3ccccc3)OC(=O)N2c2ccc(OC)cc2)cc1 29129382 VBSCIRSBZZSVIQ-JWQCQUIFSA-N 417.505 5.793 0 1 HKAF CCCOc1c(-c2cccc3cc(/C(C)=C/C(=O)O)oc23)cc(C(C)C)cc1C(C)C 29345012 DPZKZYSYZRNUER-LDADJPATSA-N 420.549 7.623 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 33820986 DVOUHDSKUHUBQI-TVRYRFOISA-N 402.663 6.360 0 1 HKAF C[C@](O)(CSc1ccc(Cl)cc1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1 34801501 REAZRCQRIARZBD-KRWDZBQOSA-N 420.283 6.493 0 1 HKAF CCCCCC[C@H](O)CCCCCCCCCCC(=O)NCCc1ccc(O)cc1 35066227 PMDCEHHRRNMYGY-DEOSSOPVSA-N 419.650 6.283 0 1 HKAF CC(C(=O)NCCC(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 40403261 QKPQXTBFKAZYEF-UHFFFAOYSA-N 419.568 6.331 0 1 HKAF FC(F)(F)c1cccc(-n2cc(C3=NO[C@H](c4ccccc4)C3)c3ccccc32)c1 66074000 TYSHNHPQFVHZIO-QHCPKHFHSA-N 406.407 6.515 0 1 HKAF CCCCCn1c(CCC)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 82179019 HAMJGDUSBURKSJ-UHFFFAOYSA-N 405.468 5.600 0 1 HKAF CC[C@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NC3CCCCCC3)ncnc21 82189309 LVDPVRFSNKXMPN-KRWDZBQOSA-N 407.562 5.683 0 1 HKAF CC1(C)C=C[C@@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 86025075 DAYKSLOBCZJGHS-HSOMYQFDSA-N 424.713 7.945 0 1 HKAF in-man CO[C@@H]1Cc2cc(-c3ccc(C)cc3)sc2C2(CCN(Cc3ccccc3)CC2)O1 95556505 ISUYVJXIOQDHFV-DEOSSOPVSA-N 419.590 5.760 0 1 HKAF Fc1c(Cl)cccc1-c1nc2ccn(Cc3ccc(C(F)(F)F)cc3)cc-2n1 100068562 KHQUGOVKDZDXGD-UHFFFAOYSA-N 405.782 5.910 0 1 HKAF O=C(Nc1ccc(F)cc1)c1ccc(SCc2cccc(-n3cccc3)c2)nc1 145239474 ASQFYNBHCZKSAZ-UHFFFAOYSA-N 403.482 5.556 0 1 HKAF CC(C)(C)Oc1cc(C(=O)Nc2ccc(C(=O)O)cc2)cc(Cl)c1OC(C)(C)C 148081748 TVIDQTCKLQNPGV-UHFFFAOYSA-N 419.905 5.645 0 1 HKAF COc1cccc2ccc(CNc3ccc(-c4nn(C)cc4-c4ccncc4)cc3)nc12 169324874 XWHXEEWWOZZYCU-UHFFFAOYSA-N 421.504 5.318 0 1 HKAF CNC(=O)/C(C)=C/c1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 169341919 KHVRKWHQWUATEQ-PKNBQFBNSA-N 411.811 5.152 0 1 HKAF CC(C)(C)Oc1ccc(Cc2[nH]c(-c3ccco3)c3c(=O)c4ccccc4oc23)cc1 204969484 IXAVWAAZKANJNV-UHFFFAOYSA-N 413.473 6.302 0 1 HKAF O=C(O)CCC1CCC2(CC1)CCN(c1cc(OC(F)(F)F)ccc1Cl)CC2 209047431 JFGTYDSNUFTCDS-UHFFFAOYSA-N 419.871 5.880 0 1 HKAF CC(=O)O[C@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 253674298 HMMXRBXGPAQIDO-HYFAGJRRSA-N 403.566 5.524 0 1 HKAF O[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4CCCCC4)n3)c(Cl)cn2)CC1 261101994 GOGMFVUZNOUZHP-IYARVYRRSA-N 414.981 5.505 0 1 HKAF C1=Nc2ccc(cc2)N=Cc2ccccc2OCc2cccc(n2)COc2ccccc21 299815257 MWNGRIIXXJKINO-UHFFFAOYSA-N 419.484 6.054 0 1 HKAF Clc1ccc(-c2ccc(-c3nccn3-c3ccc([C@H]4CNCCO4)cc3)o2)cc1 299834873 VOXIZJRMQQYLLS-JOCHJYFZSA-N 405.885 5.114 0 1 HKAF CN(C)c1ccc([C@@H](O)c2cc(C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)cc1 299869028 TUAAGYJQXNAHTB-USLSWXRBSA-N 412.577 5.850 0 1 HKAF Cc1ccc2c3c(cc(-c4cccc(C(F)(F)F)c4O)nc13)-c1ccccc1C2=O 586993202 MSUVJZJFWQKDLX-UHFFFAOYSA-N 405.375 6.146 0 1 HKAF FC(F)(F)Sc1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 586994795 CVXCMVZGIXCSGT-UHFFFAOYSA-N 416.266 5.592 0 1 HKAF Cc1nc(-c2ccc(F)cc2)oc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586996923 WCBDXBFGEUFNBI-UHFFFAOYSA-N 420.443 6.524 0 1 HKAF Cc1ccc2c3c(cc(-c4ncc(F)cc4Br)nc13)-c1ccccc1C2=O 586997694 VZGOOFVJMDFHMN-UHFFFAOYSA-N 419.253 5.718 0 1 HKAF CCc1ccc(-c2nc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)cs2)cc1 587016587 YUEMRYJIEMRKBD-UHFFFAOYSA-N 407.848 6.588 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(F)c(F)c(F)c3[nH]1)N2 587032352 SWJOLYZYAUIQOE-SOUAVXJDSA-N 424.473 5.107 0 1 HKAF CC(C)(C)c1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2n1 587039130 ARBDQJQTPSZSQZ-UHFFFAOYSA-N 400.551 6.101 0 1 HKAF Cc1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2cc1Cl 587060430 FUXIVKOAPMIVCS-UHFFFAOYSA-N 404.300 7.060 0 1 HKAF Clc1cc(Cl)c2[nH]c(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc2c1 587060861 OVDFIPOQUQOAGR-UHFFFAOYSA-N 424.718 7.405 0 1 HKAF Cc1nn(-c2cccc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c2)c(C)c1Cl 587065562 RXEQYXXHYCPVFE-UHFFFAOYSA-N 402.788 5.007 0 1 HKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587066739 QXTDRFSTCMADKZ-SECBINFHSA-N 422.756 6.702 0 1 HKAF Fc1ccc2c(c1)C[C@@H](c1nc3cc(C(F)(F)F)c(Br)cc3[nH]1)O2 587174127 MZTWMMFUGWKDRR-AWEZNQCLSA-N 401.157 5.160 0 1 HKAF Cc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1Cl 587239130 IFVPNGDTHKLPDL-NYFKNOIKSA-N 419.953 5.080 0 1 HKAF CC[C@@]1(c2c(F)cc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339312 YSCQZXZCHQSVOL-NFBKMPQASA-N 416.370 5.613 0 1 HKAF C[C@]1(c2ccc(F)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339624 ZDFNGKYIWVPWSK-RBBKRZOGSA-N 400.808 5.598 0 1 HKAF CC[C@]1(C(C)(C)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348859 AYMLONCXWNGTCR-BVAGGSTKSA-N 404.481 6.017 0 1 HKAF Cc1ccccc1[C@@H]1C[C@@H]1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355067 PQHXJUNSQUYUJQ-MTTURAJASA-N 402.465 5.761 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-c1ccc(OC(F)(F)F)cc1)O2 587382506 MJRWSGIFGHRVIF-NRFANRHFSA-N 413.395 5.849 0 1 HKAF CC(C)(C)[C@@]1(COC(=O)c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587507288 VOGAUNJMIUEMMP-VWLOTQADSA-N 410.485 5.312 0 1 HKAF C[C@H]1CCCN(c2ccc(N)c([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)C1 587513808 LGFMFPDEHHAFND-MRDQGFSESA-N 404.554 5.265 0 1 HKAF Cc1ccc2nc(Cl)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 587551783 JNODMOGKFWSMFN-NFBKMPQASA-N 417.848 5.605 0 1 HKAF Cc1ccc2c(c1C)OCCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609204 MXIWRFFTGKIOCM-PXDATVDWSA-N 402.446 5.039 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1sc3ccccc3c12 587619699 UKFTURCAFQWZJJ-URXFXBBRSA-N 400.455 5.410 0 1 HKAF Fc1cc2c(N3CCOCC3)c(-c3ccc(Br)cc3)[nH]c2cc1Cl 587627833 BHZHDBAHIBMUQE-UHFFFAOYSA-N 409.686 5.227 0 1 HKAF O=C(c1c(-c2cccc(Br)c2)[nH]c2ccc(F)c(Cl)c12)C(F)(F)F 587628208 JDJSXHFKZCMKJG-UHFFFAOYSA-N 420.587 6.135 0 1 HKAF O=C(c1ccccc1Cl)c1c(-c2ccccc2Cl)[nH]c2c(C(=O)O)cccc12 587638593 ODQZBSRGHGQJFV-UHFFFAOYSA-N 410.256 6.071 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2c(Cl)cccc2Cl)N1 587691613 HAHQWUFEDCNIDQ-HWPZZCPQSA-N 417.149 6.103 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCc3ccc(Cl)cc32)N1 587696323 JVVBTTZIISRJKP-YUNKPMOVSA-N 408.742 5.746 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(OC(F)(F)F)c2)N1 587718521 IKHJFNSTQNVITE-BCTVWOGZSA-N 422.191 5.250 0 1 HKAF CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC 587801171 JHDHWVQECXKJFH-ODXCJYRJSA-N 408.311 5.009 0 1 HKAF Cc1cc2cc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)oc2cc1C 587826214 DKICZKKKXARRCB-ZSEKCTLFSA-N 402.307 5.749 0 1 HKAF Cc1ccccc1-c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587830367 SSYZVXBFNQXMCL-ASSNKEHSSA-N 400.291 5.780 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1ccccc1F 587864389 FCWZTVSRWXCRCT-CYBMUJFWSA-N 422.378 5.214 0 1 HKAF CCCCCC1CCC(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)CC1 587868135 GYXAVWRXYXKJOK-UHFFFAOYSA-N 423.479 5.999 0 1 HKAF CCCCOc1ccc(OCCCC)n1-c1cc(F)c(Br)cc1F 587943548 IAXFICNYXWTILD-UHFFFAOYSA-N 402.279 5.876 0 1 HKAF Cc1ccccc1-c1ccc(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 587958597 AFOUAUVFXLTXAJ-UHFFFAOYSA-N 400.831 6.801 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cccnc2[nH]1 587959305 LJDIILUODXUYGX-RCHUDCCISA-N 403.614 7.812 0 1 HKAF CCCCc1ccc(-c2cccc(-c3noc(Cc4c[nH]c5ccccc45)n3)n2)cc1 653710194 KEXJXKNMHCJGSP-UHFFFAOYSA-N 408.505 6.213 0 1 HKAF C[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)Nc2ccc(Cl)cc2)[C@H]1c1ccccc1 957608713 IHUXVDGMZLQOMQ-CUHUQNRHSA-N 418.924 6.265 0 1 HKAF COCCCN1CCc2ccc(OC)cc2[C@@]1(C)c1c(F)ccc(Cl)c1Cl 961325046 OVJQDCIWDIELSV-NRFANRHFSA-N 412.332 5.299 0 1 HKAF CCCC[C@H](CC)COc1ccc([C@]2(C)c3cc(OC)ccc3CCN2C(C)C)cc1 962085822 ASWGIVGWXYAOFG-RBISFHTESA-N 423.641 6.820 0 1 HKAF CC(C)n1c([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)nc2ccccc21 962630771 KQPAJTZKLVDYSP-HOFKKMOUSA-N 422.576 5.454 0 1 HKAF C[C@]1(Cc2ccc(Cl)cc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962636689 OHMULDDCMCRGPT-AHWVRZQESA-N 402.969 5.545 0 1 HKAF CCCN1[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)s2)c2ccccc2C[C@H]1C 963233987 DQVPVLZQKMUODI-MWTRTKDXSA-N 415.524 7.180 0 1 HKAF Cc1ccc(/C=C\[C@@]2(c3ccco3)c3cccc(Br)c3CCN2C)cc1 963280791 OXVBJKUGUAVDQH-BRWBUXIUSA-N 408.339 5.795 0 1 HKAF Cc1ccc([C@]2(c3cnccc3C)c3cccc(Br)c3CCN2C)cc1C 963288571 DQFPIYMQSGPEMN-XMMPIXPASA-N 421.382 5.549 0 1 HKAF CN(C)CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(F)cc2)cc1 1772590806 VTYYQTOVGHEVMP-RQZHXJHFSA-N 419.540 5.498 0 1 HKAF CC(C)Cc1ccc([C@@H](C)c2nnc(SCc3cn(-c4ccccc4)nn3)o2)cc1 1772647016 OGFAXOQTHZAOTQ-QGZVFWFLSA-N 419.554 5.293 0 1 HKAF Cc1nc2ccc(-c3ccc(O)nc3)cc2c(=N[C@H](C)c2cccc(C(F)(F)F)c2)[nH]1 1857546256 FLFHYGSSHFXVJR-CYBMUJFWSA-N 424.426 5.320 0 1 HKAF Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccccc4)ccc3Cl)nc2c1 1857556044 MUQSSQTVIPKSHR-UHFFFAOYSA-N 421.909 5.583 0 1 HKAF Oc1cccc(-c2cc(-c3ccccc3C(F)(F)F)nc3c2Cc2cc(O)ccc2-3)c1 1857565446 FTEUJUCGBQEHGM-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF CC1(C)C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1C(F)(F)F 1857602415 LVUXZAJDYHUFAG-UHFFFAOYSA-N 416.321 5.476 0 1 HKAF Cc1ccc(NC(=O)CCSc2ccc3c(/C=C/c4ccccn4)[nH]nc3c2)cc1 1857616563 AVBPQHLKAUHBJB-FMIVXFBMSA-N 414.534 5.558 0 1 HKAF O=C1C[C@H](c2ccc(C(=O)NCc3cccc(Cl)c3)cc2)Sc2ccccc2N1 1857651491 YESIWNGKFXFJCT-OAQYLSRUSA-N 422.937 5.446 0 1 HKAF S=C(Nc1ncccc1OCc1ccccc1Cl)Nc1cccc2ccccc12 1857746444 HRBBHEZJSISXQB-UHFFFAOYSA-N 419.937 6.276 0 1 HKAF C[C@@]12C=C(C(=O)O)C[C@H]1[C@@H]1CCc3cc(O)c(C(=O)c4ccccc4)cc3[C@H]1CC2 1857756742 KXJMQIYHGVHGJL-RLSPIHMPSA-N 402.490 5.100 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356322632 UJDBZVSBLYRMDU-RNYFTHIDSA-N 418.706 6.830 0 1 HKAF C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 2356358421 ZQHLKKFDMULTFL-BWEJABODSA-N 412.614 5.922 0 1 HKAF CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@]1(C)[C@@H]3CCc4cocc4[C@]3(C)CC[C@H]12 2356386700 SOCWJJCWFLDOKZ-ZHSJGXMJSA-N 412.614 6.686 0 1 HKAF CC=C(C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356585338 MMFZLVUIFVOBLE-VPUBHVLGSA-N 412.702 7.945 0 1 HKAF C[C@@H]1C2=CC[C@@H]3[C@](C)(CC[C@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]34C)[C@@H]2CC[C@H]1O 2356631792 OLWSWWUSGLHFEB-FDSKROGOSA-N 412.702 7.779 0 1 HKAF CC(=CCc1cc(O)cc(C)c1O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 2356737813 GTWCNYRFOZKWTL-YADHBBJMSA-N 402.663 8.334 0 1 HKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5COC(=O)[C@H]54)C3=CC[C@H]12 2356792695 KBLMWKUJRWQIBA-GUYHQGPXSA-N 412.570 5.228 0 1 HKAF O=S1(=O)c2ccccc2N[C@H](c2ccc3ccccc3c2)C[C@H]1c1ccccc1F 1622407 SYCYJRTVAZFXCY-ZCYQVOJMSA-N 417.505 6.051 0 1 HKAF CCC(=O)[C@@H]([C@@H](C)/C=C/CCSc1ccccc1)[C@H](O)CCCCCC(=O)OC 5842143 NLKNRIQOWCDPRF-KBOZTEJLSA-N 420.615 5.441 0 1 HKAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@H](C)c3ccccc3)c2)n1C 13524492 MQFHPDFEZJZDIR-MRXNPFEDSA-N 418.541 6.183 0 1 HKAF COc1ccc(CN2CCC(CCC(=O)c3ccc4c(c3)NCCCC4)CC2)cc1 13737862 UHNUXPAANQWTDT-UHFFFAOYSA-N 406.570 5.319 0 1 HKAF O=C(N/C(=C\c1c(O)ccc2ccccc12)c1nc2ccccc2[nH]1)c1ccccc1 17190777 PQEATNHQSSUURU-KQWNVCNZSA-N 405.457 5.350 0 1 HKAF C[C@H]1C[C@H](C)CN(Cc2ccc(-c3ccc(CN4C[C@@H](C)C[C@@H](C)C4)cc3)cc2)C1 40566996 LJPGMCFDZQFOND-NEWJYFPISA-N 404.642 6.309 0 1 HKAF N=C(N)c1ccc2oc(-c3cccc(OCCCCOc4ccccc4)c3)cc2c1 43061342 CWCBCRARACGXLQ-UHFFFAOYSA-N 400.478 5.622 0 1 HKAF Cc1cccc(/C=C/C(=O)NC2CCC(N3CCC(c4ccccc4C)CC3)CC2)c1 45195495 PVLYEOBVQHCYIT-XNTDXEJSSA-N 416.609 5.624 0 1 HKAF OCC1CCN(Cc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)cc2)CC1 45230535 WDEVAULDTKGVKU-UHFFFAOYSA-N 415.512 5.240 0 1 HKAF Nc1nc(-c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)cc(-c2ccco2)n1 45496719 SWAYNDALXXKGMG-UHFFFAOYSA-N 413.868 5.931 0 1 HKAF Cc1cc(=O)oc2cc(N3C(=O)CS[C@@H]3c3ccc(-c4ccoc4)cc3)ccc12 49695370 CCBJOCVDKSKEMC-HSZRJFAPSA-N 403.459 5.140 0 1 HKAF Clc1cc(Cl)cc(SCc2cccn3c(C4CCCCCC4)nnc23)c1 72107875 FSLSKQPWANDMQW-UHFFFAOYSA-N 406.382 6.766 0 1 HKAF Cc1ccccc1N1C(=O)[C@@H](c2ccccc2Cl)C[C@H](c2ccccc2Cl)C1=O 73197172 OLNNMLWGFADCFB-RTBURBONSA-N 424.327 6.133 0 1 HKAF CC[C@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCC3CC3)ncnc21 82180076 ZRYVQJKJSUWULI-ZDUSSCGKSA-N 419.451 5.260 0 1 HKAF Cc1cccc(CSc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)c1 96939323 YXEYITXJQHZKPB-UHFFFAOYSA-N 418.670 7.869 0 1 HKAF O[C@]1(c2cccc(Cl)c2Cl)C[C@@H]2CC[C@H](C1)N2Cc1csc2ccccc12 101185297 MTASNPVDMSIQLV-BRLLKYFNSA-N 418.389 6.223 0 1 HKAF CC[C@H](C(C)=O)N1CCC(N(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 103303251 ZQRDCRBEVYHLGZ-OAQYLSRUSA-N 405.464 5.071 0 1 HKAF Cc1nnc(-c2ccc(C)c(-c3ccc4c(c3)NC(=O)C43CCC(F)(F)CC3)c2)o1 117953688 OPQQOOFIDHYGKE-UHFFFAOYSA-N 409.436 5.420 0 1 HKAF Cc1nc2cc(F)ccc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O 139422884 ZUVPVFILOYVQAO-FQEVSTJZSA-N 401.865 5.944 0 1 HKAF CC[C@@H](NC(=O)c1cc(C(=O)NCC2CCCCC2)n2c1CCCC2)c1ccccc1 146074792 XXNWMINYOUBVGX-JOCHJYFZSA-N 421.585 5.016 0 1 HKAF CCOP(=O)(CCCSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)OCC 149194179 MNPCHJJXMJHDLD-KTWAZNHYSA-N 416.608 7.795 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCCC(=O)N1Cc1cccc(-c2nccs2)c1 167689843 GFLSKNPRHIWYPP-LJQANCHMSA-N 422.550 5.471 0 1 HKAF O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)N=C2SCCCN12 169329796 XHZPDJWLDJSJEG-ZDLGFXPLSA-N 419.333 5.248 0 1 HKAF CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC/C=C\CCCC(=O)O 169636558 SSWITERJJRLGBX-YSYIILQWSA-N 422.738 9.433 0 1 HKAF CC[C@@H](CC(C)C)C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 196018301 WVNIISADYSWCOG-LTPXOBQUSA-N 414.718 8.025 0 1 HKAF COc1cc(-c2noc3c2CCC[C@H]3NC2CCCCC2)ccc1-n1cnc(C)c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c1cc(O)cc(O)c1C(=O)[C@@H]1CC=C(C)[C@H](CC=C(C)C)[C@H]1c1ccccc1 257481907 MFPMXYUSFDUYRN-YZUZCNPQSA-N 406.522 6.012 0 1 HKAF O=C(NC[C@H](c1ccccc1)n1ccnc1)c1ccc(/C=C/c2ccc(F)cc2)cc1 299829474 KWCRIIZRUZOWER-ZHBSTKLQSA-N 411.480 5.212 0 1 HKAF N[C@@H](CSC1(c2ccc(Cl)cc2)c2ccccc2C=Cc2ccccc21)C(=O)O 473156779 TXHUDGPLZWHMHW-QFIPXVFZSA-N 421.949 5.261 0 1 HKAF Cc1c(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)oc2c1[C@H](O)CCC2 586905621 WDLLSTXJLFIZIE-LLVKDONJSA-N 404.310 5.539 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)SCc3ccccc3)nc2c1 586963363 LRENTQUEBQCJEF-LBPRGKRZSA-N 419.344 5.497 0 1 HKAF Cc1ccc2c3c(c4c(nc13)C[C@@H]4c1ncc3c(Cl)nccn13)-c1ccccc1C2=O 586994323 YBUOEVVTCSEJHR-INIZCTEOSA-N 422.875 5.139 0 1 HKAF c1ccc(-c2csc(Nc3cccc(-c4nc5ccc6ncccc6c5[nH]4)c3)n2)nc1 587021600 PUZVNIWARPGWOS-UHFFFAOYSA-N 420.501 6.040 0 1 HKAF COc1cc2nc(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2cc1Cl 587047032 SACTUFIXLHPRHV-AATRIKPKSA-N 421.324 6.092 0 1 HKAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587047947 CSOWZURWODUELC-UHFFFAOYSA-N 421.953 6.629 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(Cl)nc2[nH]1 587086318 FOYZPXZPQVUGFY-TWGQIWQCSA-N 418.715 5.642 0 1 HKAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2ccc(Br)cc2[nH]1 587128230 HUSFGZLAOFQRNR-UHFFFAOYSA-N 406.255 6.054 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3cc(Cl)c(Br)cc3F)nc2c1 587137110 UBFNCINGCPVBEZ-UHFFFAOYSA-N 418.491 5.856 0 1 HKAF O=C(Nc1cccc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1)c1ccc(F)cc1 587164187 XVESIGPYVRCTDZ-UHFFFAOYSA-N 417.337 5.779 0 1 HKAF CC(C)(C)c1cccc2nc(/C=C/c3cccc(I)c3)[nH]c12 587183070 AJRTYEAOLVYFNI-ZHACJKMWSA-N 402.279 5.635 0 1 HKAF Cc1c(C)c2cc(Cl)c(O[C@@H](C)c3cc4c5c(cccc5n3)CC4)cc2oc1=O 587209521 QOMHCBXULSXWNI-AWEZNQCLSA-N 405.881 5.850 0 1 HKAF Nc1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c2ccccc2c1 587252243 UKJWMYZBLMDBLI-UHFFFAOYSA-N 406.205 5.747 0 1 HKAF CC(C)Oc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345020 DLHJKELOINRQCL-ZCYQVOJMSA-N 406.453 5.593 0 1 HKAF COc1cccc(-c2cc(-c3c(Cl)ccnc3Cl)nc3c2oc2ccccc23)c1 587360114 LZKYRNXPAQWSGU-UHFFFAOYSA-N 421.283 7.025 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3cc(Br)ccc13)CC2=O 587459327 OFMLDCVGVNZVKP-NRFANRHFSA-N 414.299 5.469 0 1 HKAF Cc1cc(C)cc(OCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1 587564657 NYAHNMOYKXBLPZ-UHFFFAOYSA-N 417.347 5.946 0 1 HKAF CC[C@H](C)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587593370 IVXNYRXJWXLZRO-YBJNYKISSA-N 420.461 5.281 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccsc2)s1 587609750 DEHJCCUKGCTUMB-UGKGYDQZSA-N 406.484 5.885 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1c2sc2ccccc12 587619306 RLIXFWSGWSRCIX-PXDATVDWSA-N 414.482 5.800 0 1 HKAF Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccccn2)cc1 587623199 AEPXVVPQWOLBOA-UHFFFAOYSA-N 403.283 5.844 0 1 HKAF CC(C)(C)c1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2nc3ccccc3o2)cc1 587632609 LUFUNUABNCQPMV-UHFFFAOYSA-N 418.899 7.733 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3Br)c(C(=O)C(F)(F)F)c2c1 587641611 NLYQTPONFJGPQX-LLVKDONJSA-N 424.260 6.856 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(Br)c2)N1 587714906 GLFDYABCJBVKAN-ZKANADHPSA-N 417.091 5.113 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCN(Cc3ccccc3)CC2)N1 587772191 YDRXIPBBCZMGSN-NYHFZMIOSA-N 417.366 5.076 0 1 HKAF Cc1ccc(-c2cnc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)c(C)c1 587774945 OOOUBJBKOGYADH-RBZFPXEDSA-N 415.306 5.484 0 1 HKAF Cc1ccc(-c2cnc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)c(C)c1 587774948 OOOUBJBKOGYADH-ZUOKHONESA-N 415.306 5.484 0 1 HKAF C(=C\c1ccccc1Oc1ccccc1)\c1nc2cccc(OCc3ccccc3)c2[nH]1 587951133 WVUWXGBIJUXUAV-HNENSFHCSA-N 418.496 7.105 0 1 HKAF CC(C)(C)C[C@]1(c2cccc(C(F)(F)F)c2)NCCc2cccc(-c3ccccc3)c21 962661399 CKMJAHAUIBVIJJ-AREMUKBSSA-N 423.522 7.198 0 1 HKAF COc1cc([C@H]2NCCc3cccc(-c4ccccc4)c32)cc(Br)c1O 962666860 LYLIUISSPGMWBA-OAQYLSRUSA-N 410.311 5.065 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 963235112 FVLQUVCOYMZOHP-IIBYNOLFSA-N 413.562 5.180 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCc1ccc(F)cc1)c1cccc(C)c1 963244935 YELOAYCTEYFINN-SKCUWOTOSA-N 401.569 6.667 0 1 HKAF COc1ccc2c(c1)[C@@H](c1ccc(-c3ncon3)cc1)N(Cc1ccc(F)cc1)CC2 963302510 OBAHRLBYBIWXIF-XMMPIXPASA-N 415.468 5.032 0 1 HKAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CCc1ccccc1)c1ccccc1C 963603214 BNGZKCAVEQWUIG-NFQMXDRXSA-N 401.550 5.423 0 1 HKAF N=[S@](=O)(O)c1ccc(Nc2nccc(-c3ccc(Oc4ccccc4)cc3)n2)cc1 1772653435 MJDVCQBEPHYBLV-UHFFFAOYSA-N 418.478 5.558 0 1 HKAF CC[C@]12CCCN3CC[C@]4(c5ccc(OC)c(O)c5N(c5ccccc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c1cc(=C2C=CC=N2)[nH]c1=Cc1[nH]c2cc1[C@H](CC(C)C)CCCCCCCC2 2356777868 FZOGNJSRIPZZCX-FQEVSTJZSA-N 419.613 5.346 0 1 HKAF CC(=CCCc1ccoc1)CCC=C(C)CCC[C@H](C)C[C@@]1(O)C=C(C)C(=O)O1 2356791328 INSCVBGXYZLIFV-OFVILXPXSA-N 400.559 6.273 0 1 HKAF CSc1ccccc1OCc1cc(C(=O)N(C)[C@H]2CCCc3ccccc32)no1 12576919 ZNCUWEHKRXWUNV-FQEVSTJZSA-N 408.523 5.125 0 3 HKAF CC(C)(CO)CNC(=O)c1c(-c2ccccc2F)noc1-c1cccc2ccccc12 775255 KHQRKXQEQVLUBS-UHFFFAOYSA-N 418.468 5.049 0 1 HKAF CCc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccccc2OC)cc1 776230 JVFUJTFMUNQHEX-UHFFFAOYSA-N 406.526 5.183 0 1 HKAF C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C 6030267 RJNWIZNQHVCLDL-AENRXNTRSA-N 414.722 6.306 0 1 HKAF CC(C)=CCC[C@]1(C)C=Cc2c(cc(O)c3c2O[C@H](c2ccc(O)cc2)CC3=O)O1 13379909 VSBUTPUUSVOZDI-SQJMNOBHSA-N 406.478 5.715 0 1 HKAF biogenic CCCCC1=C(C(=O)O)[C@@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21 13473451 GOMOLLUWOMVWFU-HSZRJFAPSA-N 410.466 5.365 0 1 HKAF S=C(Nc1ccc(Cl)cc1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 13676251 GKCWSDRFNXROEL-UHFFFAOYSA-N 421.780 6.723 0 1 HKAF CCO[P@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)NCc1ccccc1 26270415 LOEALVUQGYMARA-MUUNZHRXSA-N 422.490 6.483 0 1 HKAF C[C@H]1c2c([nH]c3ccccc23)[C@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@H]13 28119177 KVTPARWKGZYKAU-RPJCATCTSA-N 412.533 5.019 0 1 HKAF FC(F)(F)Oc1ccc(Cl)c(CN[C@H]2CC[C@H]3CC[C@]2(c2ccccc2)N3)c1 36126640 QJLPTGTXRGEKCS-FFZOFVMBSA-N 410.867 5.138 0 1 HKAF CC(C)c1cc(C(C)C)n(C[C@@H](OC(=O)Nc2ccc(F)cc2F)C(C)(C)C)n1 40420945 AANMJOPTHKSGLQ-HXUWFJFHSA-N 407.505 6.072 0 1 HKAF O=C(O)c1ccc(CN2CCC(Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 40934196 ICSHSIDUJOXXOT-UHFFFAOYSA-N 402.494 5.254 0 1 HKAF CCO[C@H]1OC(=O)C=C1CC/C=C(\C)CC/C=C(\C)CCC1=C(C)CCCC1(C)C 40940575 CFCUAIAPOSWTBK-YLASQXHESA-N 414.630 7.592 0 1 HKAF O=C(O)c1cc(C2CC2)cnc1Nc1c(F)cc(-c2ccccc2Cl)cc1F 43196571 ZKRHRLQUCOCOEJ-UHFFFAOYSA-N 400.812 5.999 0 1 HKAF Nc1c(Cl)cc([C@H](O)CNCCCCCCCCCc2ccccn2)cc1Cl 45193177 OMSZXUNEWYVRBQ-OAQYLSRUSA-N 424.416 5.567 0 1 HKAF C[C@@H]1CN(c2ccc3[nH]cc(Sc4ccc(-c5cccs5)cc4)c3c2)C[C@@H](C)N1 45193960 JDIDICHNFFPIEN-IAGOWNOFSA-N 419.619 6.234 0 1 HKAF CC[C@@H](C)Nc1cc(-c2nc3cc(C)c(C)cc3nc2-c2ccc(F)cc2)ccn1 45245442 GAMWRQZPJNPVPI-QGZVFWFLSA-N 400.501 6.325 0 1 HKAF CCCC/C(=C(\c1ccccc1)c1ccc(OC)cc1)c1ccc(S(C)(=O)=O)cc1 58590775 MCTCSZBTSDOEPC-QPLCGJKRSA-N 420.574 6.248 0 1 HKAF Cc1c(C(C)(C)C)s/c(=N\C(=O)c2ccc(Br)cc2)n1CC1CC1 66166716 PGXRCPQSIPAYNM-UZYVYHOESA-N 407.377 5.069 0 1 HKAF N#CN1[C@H](c2ccc(Cl)cc2)CC(=O)[C@@H](c2ccccc2)[C@@H]1c1ccc(Cl)cc1 72172300 GTFNZNFOQZIXSK-QTJGBDASSA-N 421.327 6.315 0 1 HKAF CCn1c2ccccc2c2c3c(ccc21)NC(=O)CS[C@H]3c1ccc(OC)cc1 82157845 UBNUPAYBYFVWLJ-DEOSSOPVSA-N 402.519 5.598 0 1 HKAF Fc1ccccc1-c1nc(NC2CCCCC2)ncc1-c1nc2ccccc2s1 82175148 VUPNRPHNJYPEGE-UHFFFAOYSA-N 404.514 6.304 0 1 HKAF CCCCCn1c(-c2ccsc2)nc2c(NCCc3cccc(F)c3)ncnc21 82179570 AGEKFTWGQVOHTM-UHFFFAOYSA-N 409.534 5.539 0 1 HKAF COC1=CC(c2ccc[nH]2)=N/C1=C\c1ccc(CCCCCCCCCCC(C)C)[nH]1 83924096 DVJJVLQBPFYTPJ-XHPQRKPJSA-N 421.629 7.426 0 1 HKAF in-vitro CN(C(=O)c1cccc(Cl)c1)[C@@H]1CCC[C@@H](N(C)C(=O)c2cccc(Cl)c2)C1 95586334 DTNXLEODOOJWRE-WOJBJXKFSA-N 419.352 5.149 0 1 HKAF CC(C)=CCC[C@]1(C)CC[C@]2(C)[C@@H]3CC[C@]4(C)C(C)=CCC[C@H]4[C@]3(C)CC[C@@]2(C)C1 95918641 XSZMUHXOBPAFQQ-NJWNIWMQSA-N 410.730 9.508 0 1 HKAF biogenic,in-vitro Oc1c2nc3ccccc3c-2nc(SCc2ccccc2)n1-c1ccc(Cl)cc1 100703920 QCXVGEZHQBBFEB-UHFFFAOYSA-N 417.921 6.177 0 1 HKAF O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1cc(-c3ccc4c(c3)OCO4)ccc12 102814074 DLVOOBPECZYQPY-NFBKMPQASA-N 413.473 5.653 0 1 HKAF CCOc1ccccc1[C@@H]1Nc2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C21 103869152 YUTWLGUNBPYWAY-WINIVTDRSA-N 410.517 6.714 0 1 HKAF CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2OC(C)C)C2=C(O)CCCC2=N1 103993415 BBTIXWBXFNHXMF-DEOSSOPVSA-N 423.553 6.158 0 1 HKAF CC(C)C(C)(C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 136026769 ZMJOEKMTLFBAFL-DVNBGNEZSA-N 416.734 8.105 0 1 HKAF Oc1ccc(-c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)cc1OCc1ccccc1 166804388 XNXRPRVBGWBMQP-RVDMUPIBSA-N 418.496 6.685 0 1 HKAF Oc1ccc(-c2nc3ccc(Br)cn3c2NC2CCCCC2)c(Cl)c1 169326055 YQMSZISZIAEYNJ-UHFFFAOYSA-N 420.738 5.867 0 1 HKAF C[C@@H]1CCC2=C(C1)c1c(O)cc(CCCCCc3ccc(F)cc3)cc1OC2(C)C 169343246 KOENHMZHMDRCBK-GOSISDBHSA-N 408.557 7.231 0 1 HKAF C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@H]4CC[C@H]5C[C@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 255218111 HOEJSFZVOUECLS-QAWGLYISSA-N 414.678 5.333 0 1 HKAF O=C(Nc1ccccc1F)Nc1cc2ncncc2cc1OCc1ccc(F)cc1 299833566 QHFUQTIWWSIUBC-UHFFFAOYSA-N 406.392 5.131 0 1 HKAF OCc1ccccc1-c1cccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 586894718 BPBVPLISYIGTDE-UHFFFAOYSA-N 414.690 5.200 0 1 HKAF CC(C)C[C@H](O)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 586900316 DXDZDCRXFHDCEG-INIZCTEOSA-N 409.383 5.053 0 1 HKAF Cc1c(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)oc2c1[C@@H](O)CCC2 586905622 WDLLSTXJLFIZIE-NSHDSACASA-N 404.310 5.539 0 1 HKAF Cc1ccc(-n2cnnc2SCc2nc3ccc(C(C)(C)C)nc3[nH]2)cc1Cl 586967734 DSDNVAMBTUCZAA-UHFFFAOYSA-N 412.950 5.090 0 1 HKAF Fc1cc(Cl)cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 587001575 NUNIPCAJFHPHTO-OWOJBTEDSA-N 409.642 5.060 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c(-c3nc(Br)sc3C3CC3)nc2c1 587011806 CVHVYNBHLXQRGF-UHFFFAOYSA-N 422.657 5.999 0 1 HKAF CCc1ccc(-c2nc(-c3nc4cc(F)cc(Br)c4[nH]3)cs2)cc1 587016159 QIGICWNCXGVYCJ-UHFFFAOYSA-N 402.292 5.817 0 1 HKAF Cc1c(Cl)ccc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c12 587031263 CKLDMZFELCRNFW-UHFFFAOYSA-N 403.935 5.546 0 1 HKAF Cc1cc(F)c2[nH]c([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)nc2c1 587031678 PBLOJQOHHGDZJK-DKTFCQPKSA-N 402.520 5.137 0 1 HKAF O=C(c1ccccc1)c1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587051343 SDLWPTWOONYZJG-CVEARBPZSA-N 407.300 6.372 0 1 HKAF COc1ccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(Cl)n1 587083854 OVTVGJDHACSFHC-UHFFFAOYSA-N 406.589 5.068 0 1 HKAF Cc1c(Br)cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2c1C 587145188 HFCXBPCPUMZQTB-UHFFFAOYSA-N 409.302 6.339 0 1 HKAF N[C@H](N=O)c1ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 587157543 AGXBCPHZSQRAOY-VQTJNVASSA-N 410.836 5.248 0 1 HKAF O=C(O)CCc1c(-c2ccc(Cl)s2)nc2cccc3c2c1-c1ccccc1C3=O 587208562 VAHMPFUBTDHCBC-UHFFFAOYSA-N 419.889 5.845 0 1 HKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(Br)cnc3[nH]2)c1 587238320 GURVHLCYFXGQCZ-UHFFFAOYSA-N 408.303 5.330 0 1 HKAF CC(C)[C@@]1(Cc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331091 OXFUSCSXZGASTJ-ILBGXUMGSA-N 424.899 6.181 0 1 HKAF C[C@]1(c2cc(F)cc(F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334006 OUCNTHZUWAJRRT-SIKLNZKXSA-N 402.343 5.223 0 1 HKAF C[C@]1(c2ccc3c(c2)CCCN3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350154 RGZIPIBHSMCLEY-UKILVPOCSA-N 403.453 5.164 0 1 HKAF CCOC(=O)C[C@@]1(CCC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352264 WBRUPASGSDAPSH-ISKFKSNPSA-N 414.473 5.018 0 1 HKAF COc1cccc(-c2c(Cc3ccccc3)c(C(=O)O)nc3c2oc2ccccc23)c1 587366964 PCSJWGWXFGRYNA-UHFFFAOYSA-N 409.441 5.946 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Oc3cc(Cl)cc(Cl)c3)c1)O2 587376429 CKAHPMZNYPHYIS-NRFANRHFSA-N 414.288 6.383 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(Cl)cc3)[nH]c3ccccc13)O2 587380587 WNSIYZWMHFIDQE-OAQYLSRUSA-N 402.881 6.085 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587417625 DGMHBQMOOXLVEU-QKKBWIMNSA-N 400.261 5.281 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(Br)ccc2C[C@H]1C 587457764 MMLZFDYYJJDESO-XUSGNXJCSA-N 401.300 5.160 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(CCc3ccccc3)cc1)CC2=O 587489776 PSFWRFDUSPDSDW-MHZLTWQESA-N 400.518 6.011 0 1 HKAF CC[C@]1(c2cc(F)cc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587506399 RVMBNRBDPXXIKA-OAQYLSRUSA-N 403.291 5.738 0 1 HKAF O=C1C[C@](c2cccc(Cl)c2)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 587506525 NCPSBQHWIXWHFD-VWLOTQADSA-N 423.339 6.781 0 1 HKAF Cc1ccc(C2(c3ccc(C)cc3C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587525927 TZKPHPIFSAKEEL-UHFFFAOYSA-N 410.557 6.708 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(C(F)(F)F)cc1Cl 587558542 WXVDTNIWPFOULU-QFBILLFUSA-N 421.758 5.162 0 1 HKAF CCC(C)(C)c1ccc(OCc2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 587564038 FTKRPJRHDVBABL-UHFFFAOYSA-N 401.348 6.209 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccccn2)cc1 587585382 CXBBNVPRRPOGDL-RDGATRHJSA-N 411.413 5.282 0 1 HKAF Cc1ccccc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587600905 DALPCRSOKVOMBV-SQHAQQRYSA-N 408.453 6.071 0 1 HKAF CC(C)c1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626612 TXOCNYSZRNGAAR-UHFFFAOYSA-N 405.769 7.649 0 1 HKAF CCOC(=O)c1c(-c2c(F)c(F)c(F)c(F)c2F)[nH]c2ccc([C@@H](C)CC)cc12 587640430 DFMGKBWVTNRWQH-VIFPVBQESA-N 411.370 6.221 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)cc2Cl)N1 587697318 SPWBIIBYIICSEV-VVVCHXIZSA-N 403.122 5.693 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)c(F)c2)(C(F)(F)F)N1 587710931 VLEALMYLLCNIKY-ZKANADHPSA-N 424.182 5.207 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)cnc2Cl)N1 587715029 QXRCTQPYXSGNLW-JKYUHCHBSA-N 423.635 5.279 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccc(C(F)(F)F)cc2)N1 587717957 YFCSSFFUQLOPQX-MTNBJQBKSA-N 414.240 5.896 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cccc2OC(F)F)N1 587718922 PCMVVABJVGKRFL-VPTHRUTESA-N 420.656 5.467 0 1 HKAF CCOc1cc(CC[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587800319 FOCGHAWCPXPWNR-LRTDBIEQSA-N 422.338 5.075 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cs2)N1 587845440 RCMYEJKBXZHVJF-GLEZIHRCSA-N 419.157 5.210 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3cccs3)n2)N1 587852667 MQNULCGZRBQAAN-WYRIXSBYSA-N 403.320 5.335 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cccnc2[nH]1 587959307 LJDIILUODXUYGX-UUQHCRCUSA-N 403.614 7.812 0 1 HKAF CC[C@@]1(c2ccc(Br)cc2C(F)(F)F)NCCc2cccc(Cl)c21 963390371 INGWAWGZFGXSJZ-KRWDZBQOSA-N 418.684 5.921 0 1 HKAF COc1cccc(Cl)c1-c1cc(Cl)cc([C@@H](CC(=O)O)c2ncc(C)s2)c1 1772593167 PJQFNQMXWZBTMF-OAHLLOKOSA-N 422.333 6.041 0 1 HKAF COc1ccc(-c2ccc(F)cc2Cl)cc1[C@@H](CC(=O)O)c1ncc(C)s1 1772593892 PRGBHQLNOZHRJD-MRXNPFEDSA-N 405.878 5.526 0 1 HKAF CC(C)c1ccc(CSc2nc(O)nc(SCc3cccc(Cl)c3)n2)cc1 1857548728 LJFOOKWIVUMODC-UHFFFAOYSA-N 417.987 5.939 0 1 HKAF COC1=CC(c2cc(OC)ccc2OC)=NC1=CC=C1N(C)c2ccccc2C1(C)C 1857555007 IRHGMZNOZGRGGV-UHFFFAOYSA-N 416.521 5.232 0 1 HKAF FC(F)(F)Oc1ccc2[nH]c(-c3cccc(N4CCc5ccccc5C4)n3)nc2c1 1857601264 PVORQJIYGNGHOY-UHFFFAOYSA-N 410.399 5.086 0 1 HKAF Cc1ccc(S(=O)(=O)Oc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)cc1 1857606590 UCUYGYOIOKGNAC-UHFFFAOYSA-N 417.486 5.168 0 1 HKAF Oc1ccccc1-c1cc(-c2ccccc2C(F)(F)F)nc2c1Cc1c(O)cccc1-2 1857615724 JYIJFWSOOKUEFO-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF Cc1c2c(cc3c1[C@H](O)C[C@]1(C)[C@@H]3CC[C@@H]1[C@H](C)C=C[C@@H](C)C(C)C)CC[C@@H](O)C2 2356393681 PWOLTSTXQZMPQX-VGKXBFTKSA-N 410.642 6.266 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 2356501216 QTLHKKVOGSJGHS-MDLNCGEGSA-N 416.690 6.606 0 1 HKAF CO[C@@H]1OC[C@@]23CCC[C@@]1(C)[C@@H]2CC[C@]1(C)[C@@H]2Cc4ccccc4O[C@@]2(C)CC[C@H]13 2356564230 VYTRYBMUYJDNIN-CJPSHIORSA-N 410.598 6.002 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]([C@@H](C)C=CCC(C)C)[C@@H](O)C[C@H]12 2356790664 FVJIHTMQQWXGDJ-KOEVWEEOSA-N 414.630 5.646 0 1 HKAF CCc1ccccc1Oc1nc(NCCOC)nc2cc(-c3ccccc3)sc12 61896752 VBXWTEYIBWWLTD-UHFFFAOYSA-N 405.523 5.771 0 3 HKAF Fc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccccc2C(F)(F)F)cc1 72138570 XLJASUVPIGFFET-UHFFFAOYSA-N 420.409 6.903 0 3 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)NOC(c1ccccc1)c1ccccc1 1548056 WAUNKUDYFSXEIR-UHFFFAOYSA-N 402.538 6.776 0 1 HKAF CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NCC1CCCCC1 2482194 ZKNRXCBZZYKVID-UHFFFAOYSA-N 422.500 5.857 0 1 HKAF O=C(N[C@H]1CCCc2ccccc21)c1ccc(C[S@@](=O)c2ccc(Cl)cc2)o1 6751492 JXBBXRBNGDADHC-MMTVBGGISA-N 413.926 5.048 0 1 HKAF CCCCOC(=O)Nc1ccc2cc(C)n(Cc3ccc(C(=O)O)cc3OC)c2c1 13650696 SEMXNWQUBCYFKC-UHFFFAOYSA-N 410.470 5.053 0 1 HKAF C[C@]1(C2CCCCC2)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 26823808 VOSXUKXXGOUBDV-WNCULLNHSA-N 410.565 6.241 0 1 HKAF CCCC(CCC)N1CC[C@@H]2CN(c3ccc(Cl)cc3Cl)c3nc(C)nc1c32 28123746 ATYWTDSKRJOYQU-OAHLLOKOSA-N 419.400 6.506 0 1 HKAF CCCN(CCC)c1cc(C)nc2c(-c3ncc(N(CC)CC)cc3C)c(C)nn12 28369199 ASNVMKWQMCCGRQ-UHFFFAOYSA-N 408.594 5.189 0 1 HKAF O=C(C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 28393744 YLLIOQNXNMNTDH-NRFANRHFSA-N 419.329 5.781 0 1 HKAF O=c1[nH]c(C2=C[C@@H](N3CCC(c4ccc(F)cc4)CC3)CC2)nc2c(Cl)cccc12 28954742 QQGFRGBWSWSPDS-IBGZPJMESA-N 423.919 5.141 0 1 HKAF O=C(O)CCCCCCCCCCCCCCCCCCCCCCCC(=O)O 34164314 VHDHONCVIHDOAO-UHFFFAOYSA-N 412.655 8.128 0 1 HKAF biogenic CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2Nc1ccccc1CN 40413377 CWGFQZMJLFGWDN-QFIPXVFZSA-N 415.581 5.830 0 1 HKAF COc1cc(OC)c2ccn(CCCCCCCCCC(=O)CCC(C)=O)c2c1 40953353 QOUZQSAPRWHEAT-UHFFFAOYSA-N 401.547 5.718 0 1 HKAF Clc1ccc(Nc2nc(C(Cl)(Cl)Cl)nc3ccccc23)c(Cl)c1 43069228 ZNGJXCJVMYVBAM-UHFFFAOYSA-N 407.515 6.507 0 1 HKAF CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)C2CCC2)nc2ccccn12 45320062 CSBIVAGEZVTVLO-UHFFFAOYSA-N 419.569 6.334 0 1 HKAF COc1ccccc1Nc1nc(-c2ccc(-c3ccccc3)cc2)c(CC(=O)O)s1 45357353 WDIBIILSOQYGOZ-UHFFFAOYSA-N 416.502 5.856 0 1 HKAF COc1ccc(C(=S)Nc2ccccc2N(C)C(=S)c2ccc(OC)cc2)cc1 66251411 DECUUEACHQQGQS-UHFFFAOYSA-N 422.575 5.303 0 1 HKAF CC(C)CN(CC(C)C)C(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc(F)cc1 82141343 GVZLEQJJGSYQGO-UHFFFAOYSA-N 414.569 5.129 0 1 HKAF CCCCC[C@@H]1C[C@H]2[C@H](NC)CC[C@@]34[C@@H](O)C[C@]5(C)CCC[C@@](O)(C5)[C@@H]3C[C@]24C1 85547580 TZHRSSAYNMUCJN-LHKDSFIJSA-N 403.651 5.043 0 1 HKAF biogenic,in-vitro CCc1ccc(-c2cccc(C3=Nc4cc(C)c(C(F)(F)F)cc4NC(=O)C3)c2)cn1 101383322 OTQPDRCRDRQGCP-UHFFFAOYSA-N 423.438 6.101 0 1 HKAF Brc1ccc2[nH]c(-c3nc4ccc(Br)cc4s3)cc2c1 103259883 LMLWUTQRPXMSRH-UHFFFAOYSA-N 408.118 5.970 0 1 HKAF OC1CCN(c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)c3ccccc3n2)CC1 115759718 HTNLQIGTEKQHFW-UHFFFAOYSA-N 415.468 5.189 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 139389567 YWDSWFAFCJJBJI-AGWJZCBYSA-N 420.678 5.410 0 1 HKAF CC1=C(O)[C@@H](C[C@H](C)/C=C/C=C(\C)CCCc2coc(Cc3ccoc3)c2)OC1=O 155026748 PTQLMVKRWRINAA-WBUYNZHCSA-N 410.510 6.072 0 1 HKAF Cc1c(CCC(=O)O)ccc(OCc2csnc2-c2ccc(Cl)cc2)c1C 217585914 TWJRALVZUZRXFS-UHFFFAOYSA-N 401.915 5.677 0 1 HKAF C[C@@H]1[C@@H]2C3=CC[C@H]4[C@@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]3(C)CC[C@@]2(C)CC[C@H]1C 238753918 FECFVGBVIVEEFA-TULJWLIFSA-N 412.702 7.635 0 1 HKAF COC(=O)[C@@H]1[C@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(C)s2)cc1)C3 253710504 WNGKSXJKUCQJJD-GSQUHWJHSA-N 407.579 5.400 0 1 HKAF C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 255203176 CQSRUKJFZKVYCY-UCBFBLDLSA-N 414.718 8.025 0 1 HKAF CC[C@H](CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 255225277 KZJWDPNRJALLNS-KHFGOMEOSA-N 414.718 8.025 0 1 HKAF CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(C2=CCCC2)cc1 299869188 UEPIHXYKIAPRGL-AYRHNUGRSA-N 402.582 5.764 0 1 HKAF Nc1sc(Cc2ccccc2)c(-c2ccccc2)c1C(=O)c1ccc(Cl)cc1 473113679 JXQPWIKJOOWTEK-UHFFFAOYSA-N 403.934 6.473 0 1 HKAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(Br)cc(Cl)c2[nH]1 586964409 YYKWXFPUHFJTGF-NSHDSACASA-N 413.728 5.026 0 1 HKAF Cc1ccc2c3c(cc(Cc4ccc(Cl)cc4Cl)nc13)-c1ccccc1C2=O 586994342 YWBAPMUOEKUFRB-UHFFFAOYSA-N 404.296 6.652 0 1 HKAF Clc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1Cl 587003339 UBEUCAJNURHROT-UHFFFAOYSA-N 410.102 5.225 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(CSc3nnc(S)s3)nc2c1 587026501 YVTGYDKTRUBQHM-UHFFFAOYSA-N 416.397 5.033 0 1 HKAF Cc1cc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1F 587031174 LZVKNANYFNHQDD-LYGDGENHSA-N 402.520 5.137 0 1 HKAF COc1cc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1F 587071367 KMJLXRQFWRPOOL-JJZZXYKQSA-N 405.300 6.384 0 1 HKAF COc1nccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c12 587081975 BANGHMSDUFHROH-UHFFFAOYSA-N 402.841 5.208 0 1 HKAF Cc1c(F)ccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c12 587082008 CGHUZYIWTGPFQI-UHFFFAOYSA-N 403.844 6.252 0 1 HKAF COc1ccc2c(c1OC)CCc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O 587097285 KUUUXJZGRJZBDP-UHFFFAOYSA-N 407.469 5.537 0 1 HKAF Cc1ccc2c3c(c4c(nc13)C[C@H]4Cc1ccc3c(c1)OCO3)-c1ccccc1C2=O 587102034 LIHAARJRPSGRQK-MRXNPFEDSA-N 405.453 5.366 0 1 HKAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587116283 BROBYMBTZLMRMQ-UHFFFAOYSA-N 403.113 5.308 0 1 HKAF Oc1nc2cc3nc(-c4cccc(CSc5cc(F)ccc5F)c4)[nH]c3cc2[nH]1 587140811 GKLJZKYDBXFRAS-UHFFFAOYSA-N 408.433 5.382 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@H](C)Oc4ccc(F)cc4)[nH]c3c2)cc1 587169455 WUTIUKYTRBONKN-AWEZNQCLSA-N 406.413 5.421 0 1 HKAF O=C1CCCC(=O)C1[C@@H]1C2=C(CCc3c2nc2cccc4c2c3CC4)Oc2ccccc21 587217011 SQNMNJAPIQOPMS-RUZDIDTESA-N 421.496 5.105 0 1 HKAF Cc1c(Br)cc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c2c1C 587241774 ITPUOMNXIOQRKQ-UHFFFAOYSA-N 414.347 5.984 0 1 HKAF COC(=O)Nc1ccc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)cc1 587244100 WWBCWSZTBOXHRF-UHFFFAOYSA-N 414.181 5.190 0 1 HKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587246532 BVXIYEAFNJJSJG-UHFFFAOYSA-N 415.390 6.136 0 1 HKAF COCC[C@@]1(Cc2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332055 IHEJSIPOCXGUDQ-NOZRDPDXSA-N 424.443 5.047 0 1 HKAF CC1(C)[C@H]2CC[C@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H]2N=O 587336271 MOJZFOLEZNOSOS-JHUVIJKKSA-N 409.457 5.220 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccc(Br)c3)cc1)O2 587371207 JGMNGJZKFVNEDJ-OAQYLSRUSA-N 408.295 5.713 0 1 HKAF Cc1cccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587391557 NHAYDDRTYFFGEP-XMMPIXPASA-N 409.489 5.445 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccc(C)cc4)c(OC)c1)[C@@H](C2)C3=O 587444359 SRKVPGOUVVSHSI-RXFWQSSRSA-N 416.473 5.080 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(Br)[nH]c3ccccc13)CC2=O 587458541 KWPQGDLXSITWNR-KRWDZBQOSA-N 400.272 5.295 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(Cl)cc1O)CC2=O 587462874 SBFCDCPALDPAPL-XMMPIXPASA-N 408.881 5.613 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)ccc(Br)c1F)CC2=O 587468688 YZMCFJHTYPICBF-HNNXBMFYSA-N 413.670 5.606 0 1 HKAF CCN1CCN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(Cl)c2)CC1 587507768 RWWLPCUOJODOKG-DEOSSOPVSA-N 424.972 5.067 0 1 HKAF Cc1ccc(-c2nc3sccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587538731 RLCBXZYHZQVLHA-NRFANRHFSA-N 414.530 5.957 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1SC(F)(F)F 587552998 CUCICFFTBROBOV-PXNSSMCTSA-N 418.392 5.707 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1F)C1CCCC1 587568131 LDCXWXSKEQVHLE-DHLKQENFSA-N 404.437 5.579 0 1 HKAF CC(C)n1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21 587580041 WUWAGYLWZVYXKM-NFBKMPQASA-N 400.434 5.026 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2oc3ccccc3c2c1 587618251 SULIJNPGSOGXQC-BVAGGSTKSA-N 408.409 5.995 0 1 HKAF CC(=O)c1c(-c2ccccc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626826 XJVBNXRTZXIPCA-UHFFFAOYSA-N 405.725 6.729 0 1 HKAF CC(C)(C)c1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2nc3ccccc3o2)cc1 587632821 RJRJHFAPYDXCLM-UHFFFAOYSA-N 418.899 7.733 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)c(C(=O)C(F)(F)F)c2c1 587640245 GNWAOROQWJZVAT-NSHDSACASA-N 413.361 7.112 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)cccc2Cl)N1 587691754 HUNLIZFVDUXYMR-VVVCHXIZSA-N 403.122 5.693 0 1 HKAF Cc1cc(Cl)cc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)nc12 587699038 PCJBQVWLBKEANW-GIPWTMENSA-N 419.725 5.722 0 1 HKAF CC[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587709877 CUSCTECYXHVDJH-ADLMAVQZSA-N 416.256 5.795 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)c(F)c2)N1 587710691 HDZIHEZRXVNRRN-PWJLMRLQSA-N 406.192 5.370 0 1 HKAF Cc1ccc(F)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1Cl 587715296 BZEWYEASLCZVDS-MLCYQJTMSA-N 400.694 5.487 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccncc2)N1 587777398 HALRKMCJJLNENP-QRQCRPRQSA-N 411.318 5.004 0 1 HKAF COc1ccc2c(c1)CCCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587810201 SSMVTQPNXOLFDU-ASSNKEHSSA-N 404.323 5.101 0 1 HKAF CC(C)=CCC/C(C)=C\CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587812858 LOXSYHVYUUDJDK-FBZIKSMQSA-N 408.399 6.811 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H](Cc3ccccc3)C2)N1 587818986 UCMTWBIIXTUREY-ULYRPOKDSA-N 402.351 5.751 0 1 HKAF Cc1cc2c(cc1C)[C@]1(CCCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587836670 XDCGPICKYJQCFI-SZNDQCEHSA-N 404.323 5.155 0 1 HKAF C[C@@H](Cc1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1)n1cccn1 587922320 ATPVVJBUUDPCJV-HNNXBMFYSA-N 402.498 6.098 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3cc4ccccc4o3)n2)cc1 587922606 FUZYWDCLEASKEN-UHFFFAOYSA-N 410.473 7.511 0 1 HKAF COc1ccc(C2(c3nc4ccc(Oc5ccccc5)cc4[nH]3)CC3(CCC3)C2)cc1 587936631 WVKMGJGTHMPKOU-UHFFFAOYSA-N 410.517 6.614 0 1 HKAF Cc1ccc(C)c2[nH]c(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)nc12 587949297 QQQOSIODPKBQQH-GTCCEBARSA-N 404.554 6.464 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(N)ncc2[nH]1 587959298 LDRNENZNCQKENZ-RCHUDCCISA-N 418.629 7.394 0 1 HKAF Cc1cc(-c2ccc3c(c2)CCc2sc(Cc4ccc(F)cc4)nc2N3)ccn1 653709067 VITAEXDDTRXBCC-UHFFFAOYSA-N 401.510 6.086 0 1 HKAF COc1ccc([C@@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1OCCC(C)C 962616808 BMZKPOVYTQQEOY-BXKMTCNYSA-N 413.558 5.103 0 1 HKAF FC(F)(F)[C@@H]1CCC[C@@]2(C1)c1ccccc1C[C@@H]1CN(c3ccccc3)CCN12 962635390 NGTDPLBWQYAFRB-KJXAQDMKSA-N 400.488 5.381 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@@]2(C)C[C@@]3(NCCc4cc(-c5ccccc5)ccc43)[C@@H]12 962671620 UDIDHTYBMKINBB-HRNNMHKYSA-N 404.554 5.114 0 1 HKAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@]21CC=C(c2ccc(Cl)cc2)CC1 962716780 VZKZOTSHLKUBCU-YKSBVNFPSA-N 413.989 6.306 0 1 HKAF COc1cccc2cc3c(nc12)[C@@](Cc1ccccc1)([C@@H]1CCOC(C)(C)C1)NCC3 963049864 BGGGKFWWBJDRTH-AJTFRIOCSA-N 416.565 5.032 0 1 HKAF COc1ccc2c(c1)[C@H](c1cc3ccc(Cl)cc3[nH]1)N(Cc1ccc(F)cc1)CC2 963300418 FATLYWFFGIEOCX-RUZDIDTESA-N 420.915 6.117 0 1 HKAF COc1ccccc1-c1cn(Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)nn1 1772655779 GMHZDBLZYIKXGZ-UHFFFAOYSA-N 408.461 5.324 0 1 HKAF CC[C@H](c1ccccc1)n1nnc2cnc3ccc(-c4c[nH]c5nccc-5c4)cc3c21 1857568674 CUTSGWPPVRMXNQ-HSZRJFAPSA-N 404.477 5.474 0 1 HKAF O=c1cc(OC[C@H](Oc2ccccc2)c2ccccc2)ccn1-c1ccc(F)cc1 1857571313 ZYNRCWCGFNGJNT-DEOSSOPVSA-N 401.437 5.176 0 1 HKAF Clc1ccc(-c2cn3cc(-c4cccc(CN5CCOCC5)c4)ccc3n2)cc1 1857593628 VEYDXOOCZJBSDO-UHFFFAOYSA-N 403.913 5.154 0 1 HKAF CC(C)=C1CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@]3(C)CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC[C@]21C 2356578902 KMYLCLHUHCGKRS-LBFLOXBQSA-N 424.757 9.588 0 1 HKAF CC1(C)C(=O)[C@@H]([C@@H](O)c2ccccc2)C[C@]2(C)[C@@H]1CC[C@]13C=C[C@@H](C[C@@H]12)[C@@](C)(O)C3 2356671989 RLGBUTVIBWFTRW-XVJNTXLSSA-N 408.582 5.085 0 1 HKAF C=CC(C)=CC[C@]1(C)[C@H](C)CC[C@]23C(=CCC[C@@H]21)[C@H](OC(C)=O)O[C@H]3OC(C)=O 2356684714 VETHZFSKKYINKU-YSCRHRQFSA-N 402.531 5.076 0 1 HKAF CSc1ccc(-c2nccc3[nH]nc(-c4cccc(OC(F)(F)F)c4)c23)cc1 205232260 KDFNXAABRRYOIY-UHFFFAOYSA-N 401.413 5.912 0 3 HKAF CCOc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NC1CCCCC1 773346 KUTFNLZZJAQEBR-UHFFFAOYSA-N 408.473 5.609 0 1 HKAF C/C=C(/C)[C@H](O)[C@@H](C)/C=C(C)\C=C/C/C(C)=C\Cc1oc(OC)c(C)c(=O)c1C 5132586 PFVSUJLJFXJPMF-WRVCNISASA-N 400.559 5.610 0 1 HKAF Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCNCC3)o1)C(C)(C)CCC2(C)C 13860621 URRIBSPPIMZGEU-UHFFFAOYSA-N 422.613 5.257 0 1 HKAF COc1cc(O)cc2c1C(=O)O[C@@H]2CCCCCCCCC[C@]1(O)CC[C@@H](C)O1 14714541 FEOQJESGRFUTMF-ZDWFVDTJSA-N 406.519 5.011 0 1 HKAF biogenic CCCCN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(C)cc1C 26395840 LBJDFZRRSJCULH-UHFFFAOYSA-N 414.593 7.160 0 1 HKAF COc1ccc(C2(c3ccc(OC)cc3)C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)cc1 26647707 AJPRCVPCFLEYGE-WUFINQPMSA-N 420.532 5.416 0 1 HKAF C[C@H]1CC(=O)[C@](C)(CCC(=O)O)[C@@H]2CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]3[C@@H]12 27517845 VKFJUKMHHGHLBA-OKLZYCOHSA-N 406.563 5.026 0 1 HKAF Cc1cccc(C(=O)N2CCCC2)c1OCc1csc(-c2ccc(Cl)cc2)n1 28524885 IWVCOGXTDHEVGI-UHFFFAOYSA-N 412.942 5.587 0 1 HKAF CO[C@H](C)c1cc(F)cc2c1[C@H](Cc1ccc(Cl)cc1)C1=C2CC[C@@H]1CC(=O)O 28821749 ZUKZYOZCSCWGNS-MFLXSWDHSA-N 414.904 6.165 0 1 HKAF COc1ccc(NC(=O)C2CCN(c3nccc4sc(C)cc34)CC2)cc1Cl 35268820 ZWJQRAYCVVPWPX-UHFFFAOYSA-N 415.946 5.122 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4ccc(CNCc5cccc(N)c5)cc4)s3)nc12 45201456 UIJKLIITBYOVCD-UHFFFAOYSA-N 424.573 6.139 0 1 HKAF CC(C)(C)CC(C)(C)c1ccc(O[P@](=O)(O)[C@@H](N)CCc2ccccc2)cc1 49069240 LHKYXTBYXFWYQW-OAQYLSRUSA-N 403.503 5.882 0 1 HKAF Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C23CC4CC(CC(C4)C2)C3)cc1 49070011 AFAJICOLCSMWIM-UHFFFAOYSA-N 411.471 6.230 0 1 HKAF O[C@H]1CN(CCCSc2ccccc2)CCc2cc(OCc3ccccc3)ccc21 64550080 CYABDBONZXVBIX-SANMLTNESA-N 419.590 5.340 0 1 HKAF O=C(O)[C@@H]1CCCN(CC/C=C(\c2ccccc2)c2ccccc2C(F)(F)F)C1 66252055 YBRSOQNKLWRTMO-LSCADSNKSA-N 403.444 5.324 0 1 HKAF C/C=C(\C)[C@@H](O)[C@H](C)/C=C(C)/C=C/C[C@@H](C)/C=C/c1oc(OC)c(CC)c(=O)c1C 72114760 RZWLIPXWCCRKLN-AUIAYXAMSA-N 414.586 6.024 0 1 HKAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2ccccc2)C1 82132957 MGFUTXNXVLZKSM-PMACEKPBSA-N 406.574 5.031 0 1 HKAF CC1(C)CC[C@@]2(C)CC[C@]3(C)C(=C2C1)CC(=O)[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]13C 86030086 MQILTVJSXIHHGW-KBKMXRMXSA-N 424.713 8.521 0 1 HKAF in-man CO[C@@H]1Cc2c(csc2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1 95554536 HRZFOYOZKSYQPA-QHCPKHFHSA-N 405.563 5.452 0 1 HKAF COc1ccc(-c2cc(-c3ccc(Cl)cc3)n([C@@H]3C(=O)Nc4ccccc43)n2)cc1 95556614 HTIXZSSARRBZPC-QHCPKHFHSA-N 415.880 5.421 0 1 HKAF Fc1cc(F)cc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc2)c1 96271063 FRXDRZHYTZXJJS-UHFFFAOYSA-N 424.428 5.703 0 1 HKAF Fc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCN(c5cccc6[nH]ccc56)CC4)CC3)c2c1 101030935 DOLPIUHNWIPHSB-KESTWPANSA-N 416.544 5.637 0 1 HKAF CCO/C(O)=C1\C(C)=Nc2nc(-c3ccccc3OC)nn2[C@@H]1c1ccc(Cl)cc1 103538857 ZYEVGJOZPQAITJ-AZZGVMCLSA-N 424.888 5.109 0 1 HKAF OC1=C2C(=Nc3nc(SCc4ccccc4F)nn3[C@@H]2c2cccc(O)c2)CCC1 104056792 UTHVDGWJMQBZSR-HXUWFJFHSA-N 422.485 5.087 0 1 HKAF COc1ccc([C@@H]2N(c3ccnc(N[C@H](C)c4ccccc4)n3)C(=O)OC2(C)C)cc1 142120906 LVPITHJLZOMCTJ-IERDGZPVSA-N 418.497 5.135 0 1 HKAF CCCCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 146032193 PMXOLMUJYKILQT-GRGXKFILSA-N 410.602 5.868 0 1 HKAF COc1cccc(F)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2ncc(C)s2)c1 167822951 TZBWABYKEXBHRA-AUUYWEPGSA-N 410.514 5.376 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2cccc(Cl)c2)cc1)C3 195249381 FNNDPKKFONPQIL-NNOJLSCUSA-N 421.968 5.684 0 1 HKAF O=C(O)CCc1ccc(Oc2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1 221175143 NBMKTCICIYWVMJ-UHFFFAOYSA-N 406.459 5.789 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC[C@@]12C 257001229 ZQIOPEXWVBIZAV-YTGACKBWSA-N 414.762 9.524 0 1 HKAF Cc1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc(C(F)(F)F)cc2)cc1 299858828 HBOADHPLKTXHCT-UHFFFAOYSA-N 407.439 6.479 0 1 HKAF CC(C)Oc1cc2nc([C@H](C)SCc3ccccc3)[nH]c2cc1Br 586964456 ZYLABTLVELIHLI-ZDUSSCGKSA-N 405.361 6.107 0 1 HKAF CCOc1cc(/C=C/c2nc3ccc(CC)cc3[nH]2)cc(Br)c1OC 586978466 TWXBQCCPDIGKCN-VQHVLOKHSA-N 401.304 5.466 0 1 HKAF COC(=O)c1ccc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c2c1 586982394 UXVCWEQIZHWZMO-UHFFFAOYSA-N 417.303 5.204 0 1 HKAF FC(F)(F)c1cc(Br)cc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 587036960 PTMSGFDWLSRQHS-GFCCVEGCSA-N 417.250 5.262 0 1 HKAF CC(C)COc1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2cc1Br 587037703 XEBVOHNNZTWQHF-QGZVFWFLSA-N 421.360 5.278 0 1 HKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cccc(Br)c4[nH]3)c2)cc1 587067695 LMTYMZLRNYQYHI-UHFFFAOYSA-N 413.702 5.805 0 1 HKAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587080668 SBFVOIFADCLBMS-LJQANCHMSA-N 414.896 5.171 0 1 HKAF C/C=C/COc1ccc(CCc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587097306 LDYFYOFMCZHKPG-ONEGZZNKSA-N 419.524 6.495 0 1 HKAF COc1cc(OC)c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)[nH]c2c1 587113332 HSWKAURGRVKHLT-UHFFFAOYSA-N 414.383 6.058 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c(/C=C/c3ccc(C)c(F)c3)nc2c1 587146380 JYQQHDASCUGLBM-VOTSOKGWSA-N 403.251 5.120 0 1 HKAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1F 587151823 IYWPXEZEYPREDY-VHSXEESVSA-N 417.175 5.894 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C2CCCCC2)[C@H]1c1ccc(F)cc1 587350771 FHZIMZGPYSVPDG-AHKZPQOWSA-N 416.492 6.366 0 1 HKAF COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1S 587373995 JTXHVNQMGROROI-JTHBVZDNSA-N 410.466 5.103 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OCC)c(OCC)cc1Cl)CC2=O 587462261 WVEOWDKQRPGQHK-LJQANCHMSA-N 404.890 5.502 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1c1ccc(Cl)c(Cl)c1)CC2=O 587463110 UEKLWYAVARPNPO-KSFYIVLOSA-N 405.321 6.323 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccccc3)nc1C(C)(C)C)CC2=O 587474674 GHMGJHGGGNFPKX-HSZRJFAPSA-N 418.537 5.594 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Sc1ccccc1Cl)CC2=O 587492273 OCURNWLTQRSFKH-OAQYLSRUSA-N 424.949 6.856 0 1 HKAF COc1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543568 KYNXSFBTLRADSL-UWJYYQICSA-N 417.244 5.411 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc(Cl)c1O 587549017 YPLXKBGJLUQIGO-JXFKEZNVSA-N 403.217 5.108 0 1 HKAF C[C@@]1(c2nc3ccccc3n2C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558564 XCTKYDVFUNTXKR-FDDCHVKYSA-N 422.387 5.014 0 1 HKAF COc1ccc([C@]2(C(C)(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 587570420 WVVKWGZSAFLJDP-BWKNWUBXSA-N 422.452 5.443 0 1 HKAF C[C@]1(C2(c3ccccc3)CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604597 XHHFUJCERJGLBY-DHLKQENFSA-N 400.474 5.625 0 1 HKAF Cc1oc2ccc(O)cc2c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615791 HMSLALSJTYGTOO-XUZZJYLKSA-N 402.402 5.029 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1c2sc2ccccc12 587619307 RLIXFWSGWSRCIX-SQJMNOBHSA-N 414.482 5.800 0 1 HKAF Cc1ccc(NC(=O)c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)cc1Cl 587621982 SJWJZDCQBYNGLV-UHFFFAOYSA-N 417.694 5.329 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3cccc(Cl)c3)c2)N1 587704394 SYGFJVSQWBJAKZ-WLRWDXFRSA-N 420.713 5.051 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(F)(F)F)cc2)N1 587711849 MRSIFPUZYUDRIV-BMLIUANNSA-N 418.228 5.153 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(F)(F)F)ccc2F)N1 587713275 SICWHKZZRVOXOZ-VVVCHXIZSA-N 420.219 5.544 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)ccc2F)N1 587716257 ZDEIGOMGOYMJQT-BCTVWOGZSA-N 406.192 5.370 0 1 HKAF CC(C)[C@]1(c2ccc(Cl)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587726050 TZLLDPWAAVNWPA-NSPYISDASA-N 414.721 5.815 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C1CCCC1 587754346 YFOGDEHMVYAVOD-QKVFXAPYSA-N 405.355 5.745 0 1 HKAF Cc1ccc(-c2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)no2)cc1 587790534 CKFDDVRXIAOEPF-FKIZINRSSA-N 401.279 5.175 0 1 HKAF Cc1nc(-c2ccccc2)[nH]c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587792082 OFNQKXVSUPBCPY-LAJNKCICSA-N 414.322 5.084 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)[nH]c2ccccc23)N1 587806818 VYBVSIQNVWMIIA-ZLOXQWCVSA-N 423.329 6.020 0 1 HKAF Cc1cccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587815988 SEJWYCLOMKNPTB-MWTRTKDXSA-N 410.330 5.723 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3nccs3)c2)N1 587853276 MDSPOQVYNBJAER-VOJFVSQTSA-N 403.320 5.335 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncc(Br)cc1C 587860742 ALKOCHDVKROJAZ-UHFFFAOYSA-N 412.209 5.033 0 1 HKAF COc1ccccc1-c1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)cc1 587932436 OEYIXORVFXWBOG-UHFFFAOYSA-N 413.702 6.321 0 1 HKAF CCOC(=O)CCCCCC[C@]1(CC)NC2(CC2)Cc2ccc(Br)cc21 961614760 MAFRGKFNIACHAS-QFIPXVFZSA-N 422.407 5.636 0 1 HKAF CC1(C)N(Cc2ccccc2)CCC[C@@]12c1cccc(F)c1CCN2[C@@H]1CCSC1 962713276 QRMWVEJDBQHPNC-QFQXNSOFSA-N 424.629 5.459 0 1 HKAF CC(C)(C)OC(=O)N1CCCc2ccc([C@H]3c4ccc(F)cc4C[C@H]4CCCN43)nc21 963103498 LMCJIHNVOWKRFU-DENIHFKCSA-N 423.532 5.018 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1c[nH]c2cc(Br)c(Cl)cc12 963118176 YYTFBHGMBHFHHK-XCLFUZPHSA-N 419.725 5.833 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCCC(=O)O)c1ccc(Cl)cc1OC 963228254 LFROWWBBACKQEP-BXKMTCNYSA-N 415.961 5.504 0 1 HKAF CCC[C@@H](C)N1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(C)c(F)c2)CC1 1772580511 MNSHFNBABLGNIT-HXUWFJFHSA-N 411.565 5.821 0 1 HKAF FC(F)(F)c1ccc2nc(-c3ccc(N4CCC(c5ccccn5)CC4)nc3)[nH]c2c1 1772600124 LZZKBCHFMOZVNA-UHFFFAOYSA-N 423.442 5.423 0 1 HKAF OC(Cc1cccnc1-c1cc(Cl)cc(Cl)c1)(c1cccnc1)c1cccnc1 1772627759 HTMCDFJCNVHIQC-UHFFFAOYSA-N 422.315 5.324 0 1 HKAF C[C@@H](NC(=O)[C@H](NC(=O)Nc1ccccc1Cl)c1ccccc1)c1ccccc1 1857640124 DFVHORZYAJDHPZ-IIBYNOLFSA-N 407.901 5.080 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C(=O)[C@H](C)[C@](C)(CC[C@H](C)CC(=O)O)[C@H]2CCC=C(C)[C@@]12C 2356677738 XCQRBNYBYVJECB-DZCNSKBQSA-N 418.574 5.343 0 1 HKAF CCCn1c([C@@H]2CCCN2c2nc(-c3ccc(C)cc3)cs2)nc2ccccc21 15937214 URMNNYKLYCWVQT-QFIPXVFZSA-N 402.567 6.220 0 3 HKAF O[C@@H](c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12)[C@@H]1CCCCN1 1591920 IIKOXHYTYFKHKD-RXVVDRJESA-N 421.755 6.038 0 1 HKAF O=C(O)/C=C/c1nn(Cc2ccc(Cl)cc2Cl)c2cc(C(F)(F)F)ccc12 3962518 KYYQMVUKYQCSQY-AATRIKPKSA-N 415.198 5.508 0 1 HKAF in-vitro Nc1ccccc1NC(=O)CCCCCCC(=O)c1ccc(-c2ccccc2)nc1 13588617 GJQLZDNOWYLODQ-UHFFFAOYSA-N 401.510 5.493 0 1 HKAF CC[C@](OC)(c1cc(F)cc(OCc2ccc3ccccc3c2)c1)c1nccs1 13733379 XVKSBHTYCOTLRR-DEOSSOPVSA-N 407.510 6.314 0 1 HKAF CC[C@@]1(c2cc(F)cc(OCc3ccc4c(ccc(=O)n4C)c3)c2)CCO[C@H](C)C1 13896112 KGFOIXZAHKGALA-CRICUBBOSA-N 409.501 5.103 0 1 HKAF Cc1cc(C)cc(-c2c(OC[C@H]3CCCCN(C)C3)c3ccc(Cl)cc3[nH]c2=O)c1 26578576 OXFBEFJSHHNIIM-SFHVURJKSA-N 424.972 5.576 0 1 HKAF Cc1ccc(C2(CNC(=O)Nc3cc(Cl)cc(Cl)c3)CCN(C)CC2)cc1 28115472 XWAIJWKTDQPUKU-UHFFFAOYSA-N 406.357 5.087 0 1 HKAF COc1ccc(/C=C2\C(=O)N(C)c3ccc(Cl)cc32)cc1O[C@H]1C[C@H]2CC[C@@H]1C2 29571923 FFFLXXMNEHFKKE-DWUZLMQZSA-N 409.913 5.433 0 1 HKAF CSc1ccc(-c2[nH]c(SC(F)(F)C(F)F)nc2-c2ccc(F)cc2)cc1 40639550 HUVLTAGOAZYWGG-UHFFFAOYSA-N 416.440 6.555 0 1 HKAF CCCCCN1N=C(C(=O)N[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)C[C@H]1c1ccccc1F 43203458 JCQRAJVSZJBITB-KJMJZGGDSA-N 413.581 5.450 0 1 HKAF Cc1cccc2[nH]c(-c3cccc(-c4cccc(CNCc5cccc(N)c5)c4)c3)nc12 45166895 NZRSRZBNUGFCHU-UHFFFAOYSA-N 418.544 6.077 0 1 HKAF CC(C)=CCN1C(=O)[C@]2(CC(C)=C[C@H](COCc3ccccc3)O2)c2ccccc21 66156289 AZCIOMNUCSHJQR-GJZUVCINSA-N 403.522 5.147 0 1 HKAF CCCc1ccc2c(Nc3cc(C)ccc3Sc3ccc(O)cc3)ncnc2n1 73314661 ZFFNCMWAQZWKNB-UHFFFAOYSA-N 402.523 5.886 0 1 HKAF COc1cc(Cn2c(-c3ccccc3F)nc3cc(C)ccc32)cc(OC)c1OC 95553128 KTKBBFFRASJHLH-UHFFFAOYSA-N 406.457 5.225 0 1 HKAF Cc1nc(Cc2ccc(Cl)cc2)sc1[C@@H]1SCC(=O)N1c1ccccc1 95560813 ZYYASGCDOUPONJ-FQEVSTJZSA-N 400.956 5.474 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](O)/C(=C\c5ccccn5)[C@@]4(C)CC[C@@H]32)C1 96939224 RPJLSNUZQHDFFP-XOBQLVLNSA-N 421.581 5.330 0 1 HKAF CCCN1[C@@H]2CC[C@@H]1CC(=C(c1ccccc1)c1ccc(C(=O)N(CC)CC)cc1)C2 100814733 CLYBTDNNANXCCM-CLJLJLNGSA-N 416.609 6.007 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1 103258124 ALXXSSTULXRROK-FQEVSTJZSA-N 415.489 5.857 0 1 HKAF CC(=O)Nc1cccc2c(-c3cccc(NC(=O)c4ccc(C)c(C)c4)c3)ccnc12 103296025 XMGDPBNBMAQNNK-UHFFFAOYSA-N 409.489 5.729 0 1 HKAF O=S(=O)(c1ccc(F)cc1)c1sc2ncccc2c1-c1ccc(Cl)cc1 138687879 OSHVYEGFIGWBSL-UHFFFAOYSA-N 403.887 5.589 0 1 HKAF Oc1ccc2c(c1)CCc1ccc(O)c(c1)-c1cc(ccc1O)/C=C/c1cccc(c1)O2 153907151 DLWONXBMHBQJCM-SNAWJCMRSA-N 422.480 6.532 0 1 HKAF CCCNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 166633058 OTYPOAXAZIQQND-JLHYYAGUSA-N 414.534 5.419 0 1 HKAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4N(C=O)C4CCCCC4)[C@H]3CC[C@@H]12 169301173 GWOHHTZQGRQPDS-SSVBDUDVSA-N 414.634 5.010 0 1 HKAF C[C@@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@@H]2CCN(C(=O)c3ccccc3)C[C@H]21 169358281 MSNQMTTUFQUCKG-QOKNQOGYSA-N 412.455 5.625 0 1 HKAF CC(=O)[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)C1=O 205282878 BWVGMWKHJWXDRJ-JWSRJUKUSA-N 400.647 7.000 0 1 HKAF COc1ccc(-c2nc(NCc3ccc(F)cc3)sc2Cc2ccccc2)cc1 210750006 MMEFIENFWIVTKV-UHFFFAOYSA-N 404.510 6.161 0 1 HKAF Cc1cc2c(cc1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 231223818 PZZKGQBMBVYPGR-VHFRWLAGSA-N 402.663 8.223 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)O4 255263679 RWSNQTGGDGPKOZ-KGHQQZOUSA-N 412.658 6.542 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@H]1C[C@H]3N 299850113 MUNYFYVFFYKFPN-CEJGTPGPSA-N 403.695 6.406 0 1 HKAF C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2C 299872789 KWVISVAMQJWJSZ-KERZRBOVSA-N 413.646 5.287 0 1 HKAF Clc1ccc(Br)nc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587005503 JXDDSSYCMYEAPM-UHFFFAOYSA-N 416.731 6.192 0 1 HKAF Cc1nc(-c2c[nH]cc2-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cs1 587020601 CCMVULSBQQNNFQ-UHFFFAOYSA-N 416.350 6.028 0 1 HKAF Clc1ccc(-c2cc(-c3nc4nc(Br)c[nH]c-4n3)ccc2Cl)cc1 587047488 ITZUHOTZHDQCRD-UHFFFAOYSA-N 420.097 5.708 0 1 HKAF CC(C)CCOc1cc2nc(CCc3ccccc3Cl)[nH]c2cc1Br 587059372 PHZIIZIUBRIODA-UHFFFAOYSA-N 421.766 6.189 0 1 HKAF Oc1nc2cc3nc(/C=C(\CCc4ccc(Cl)cc4)c4ccccc4)[nH]c3cc2[nH]1 587073841 PITHLFSEBMKWTF-SFQUDFHCSA-N 414.896 5.972 0 1 HKAF O=C(O)c1cc(Br)cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c12 587077646 VYODQELJPOQMJP-UHFFFAOYSA-N 405.679 5.147 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(C)cc(F)c4[nH]3)c(Cl)cc12 587078557 VTKZBLHPNIFMAA-LBPRGKRZSA-N 414.864 5.863 0 1 HKAF COc1ccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(C(F)(F)F)c1 587097796 NQPHVIIAVHXVQF-UHFFFAOYSA-N 400.425 6.409 0 1 HKAF Cc1ccc2c3c(cc(-c4ccccc4SC(C)(C)C)nc13)-c1ccccc1C2=O 587102363 OLTCTDLTEBUTTN-UHFFFAOYSA-N 409.554 7.312 0 1 HKAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)cc2N1 587122602 CHOAFXJZKPOOQF-KZULUSFZSA-N 413.403 5.526 0 1 HKAF Cc1cc2nc([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2cc1C 587141933 ZWKXUYZRFCMUNW-LJQANCHMSA-N 423.941 5.038 0 1 HKAF O=C(O)c1cc(Br)cc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c12 587153155 MGEHVGUVZPMJOS-UHFFFAOYSA-N 411.230 5.497 0 1 HKAF C[C@@]1(c2ccc(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330437 HSANPDKASVFLJP-GCJKJVERSA-N 402.343 5.223 0 1 HKAF CC[C@]1(c2cc(F)c(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334756 PZRBVHPAAMKCRZ-FYYLOGMGSA-N 416.370 5.613 0 1 HKAF C[C@@]1(c2cccc3c2NCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350652 SBMSBMRIUNAIFU-DHLKQENFSA-N 403.453 5.164 0 1 HKAF C[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2S1 587376339 WQBQMFRPXPGRNH-QQFWFLOESA-N 406.478 5.670 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(-c3ccc(Cl)c(Cl)c3)cs1)O2 587410962 AFZHTPHWFMGVFP-QGZVFWFLSA-N 405.306 5.714 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(-c4ccc(C)c(Cl)c4)c1)[C@@H](C2)C3=O 587419208 KCZWLLZEMGEGOW-CPJSRVTESA-N 404.893 5.987 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CNc1ccc(Cl)cc1)(c1ccccc1)CC2=O 587462945 RRTQDUHGRJCNCT-VWLOTQADSA-N 421.924 5.971 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(F)F)c(OC(F)F)c1)CC2=O 587467884 UZBLNXDZGNMPMW-INIZCTEOSA-N 414.351 5.254 0 1 HKAF CC(=O)Oc1cc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1 587498310 MRKHFLJVVKSXFI-LJQANCHMSA-N 405.277 5.504 0 1 HKAF CCCC[C@@]1(c2ccc(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587505010 KPOUVQYLSJNTSP-QHCPKHFHSA-N 403.349 6.923 0 1 HKAF COC(OC)c1oc2ccc(O)cc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587533703 SPCKMFYNQMPEGA-FQEVSTJZSA-N 408.450 5.015 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCCC2)cc1F 587568825 NMDCSCNGRMSRDF-DHLKQENFSA-N 419.452 5.225 0 1 HKAF C[C@@]1(c2ccc(-c3cccs3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611287 HUMMSNMBGQQNNB-RDGATRHJSA-N 414.482 5.998 0 1 HKAF CCc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2ccc(C)cc12 587616830 MKFAXGKGWWLWJP-BKMJKUGQSA-N 414.457 5.886 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)c(O)c2Cl)N1 587698011 XWAZMJZZPDHAAY-KWKYVRJSSA-N 405.094 5.224 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCN(Cc3ccccc3)CC2)N1 587772195 YDRXIPBBCZMGSN-QRQCRPRQSA-N 417.366 5.076 0 1 HKAF CCCCOc1c(OC)cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587795339 RDSJQEAIZXKZPD-XCLFUZPHSA-N 422.338 5.399 0 1 HKAF COc1ccc2c(c1)C(C)(C)C[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587812397 ZTYOUCMRFLGWPJ-LAJNKCICSA-N 404.323 5.056 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](OCc3ccccc3)C2(C)C)N1 587813288 UEROWOVWCPKLSZ-JEWAVWJGSA-N 418.350 5.333 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(-c3ccccc3)cc2)N1 587813711 PJOWIBXCMCSXAV-GYCJOSAFSA-N 424.357 6.247 0 1 HKAF Cc1ccc(C2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 587818603 RJJWEYJIICASCD-RMQYNXQMSA-N 402.351 5.984 0 1 HKAF Cc1ccccc1-c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587820914 RGCIIKDKSLPKPF-CMJOXMDJSA-N 410.330 6.187 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2Cc2ccccc2)N1 587824200 VLMDTLGLHSBEPL-FXCLAUTBSA-N 402.351 5.751 0 1 HKAF Cc1cc(C)c2c(c1)[C@]1(CCCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587833018 DPSXETDAMYWXQE-SZNDQCEHSA-N 404.323 5.155 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCCc1cccs1 587861189 MLUANKURTKYHLL-UHFFFAOYSA-N 409.338 5.980 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)N[C@@H]1CCCC[C@@H]1C 587866672 IRLTWXHXQAGYKM-XJKSGUPXSA-N 411.493 5.269 0 1 HKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587952637 UYXZFLVTZBWTLB-WDMOLILDSA-N 419.285 6.391 0 1 HKAF Clc1ccc(Cn2cc(COc3c(Cl)cc(Cl)cc3Cl)nn2)cc1 653807559 NPKFHEFPRFAFIO-UHFFFAOYSA-N 403.096 5.519 0 1 HKAF Cc1c(F)ccc2c1[C@](CCC1CCCC1)(c1ccc(OC(F)(F)F)cc1)NCC2 962149739 XQLQRHCAJAHAJB-QHCPKHFHSA-N 421.478 6.392 0 1 HKAF Cc1c(F)ccc2c1[C@@](C)(c1ccccc1-c1ccc(C(=O)O)c(Cl)c1)NCC2 962380216 WSEYIQTYFZRJRC-XMMPIXPASA-N 409.888 5.562 0 1 HKAF CC1(C)[C@H]2CC[C@]3(C2)[C@@H]1[C@]1(CCC3(C)C)c2ccsc2CCN1Cc1ccco1 962715911 YGTMHRFCXBHDTD-XQHJKBQKSA-N 409.639 6.857 0 1 HKAF C[C@@H]1C[C@@]2(NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c2ccccc2S1 962963735 YWCIAXQTFAAKLS-QRQCRPRQSA-N 419.512 5.485 0 1 HKAF CC(C)c1ccc([C@@]2(CC(C)(C)C(=O)O)c3c(F)cccc3C[C@H]3CCCN32)cc1 963092107 AGQZAFRQAJBCED-RLWLMLJZSA-N 409.545 5.714 0 1 HKAF Cc1c([C@H]2NCCc3cccc(Cl)c32)c2ccccn2c1CCc1ccncc1 963390638 LYMBLWHAMZFDIM-RUZDIDTESA-N 401.941 5.316 0 1 HKAF O=C(N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2cccc(Cl)c12)c1ccoc1 1857577368 LRXMBXSHKNHVFS-UHFFFAOYSA-N 419.790 5.024 0 1 HKAF Cc1ccc(Nc2nc(-c3ccccc3)c3c(n2)sc2c(Cl)nnnc23)cc1 1857585834 MVFHISKYSWOYTM-UHFFFAOYSA-N 404.886 5.402 0 1 HKAF Cc1cc2c([nH]c3c([C@]4(C)CC[C@@]5(C(C)C)C[C@H]54)c(O)ccc32)c2c1OC(C)(C)C=C2 1857654595 BENRMCVWICIKQJ-TXQOIQMMSA-N 415.577 7.233 0 1 HKAF O=C1[C@H](c2ccc3ccccc3c2)Oc2cc3c(cc2N1Cc1ccccc1)OCO3 1857754516 LBHUKHGUECXWAP-VWLOTQADSA-N 409.441 5.235 0 1 HKAF CCNC(=O)c1nc(-c2ccccc2)c2c(C(F)(F)F)cc(-c3ccccc3)nc2n1 1857757811 AFVMXKVEOVUPOV-UHFFFAOYSA-N 422.410 5.127 0 1 HKAF O=[S@@](Cc1ccccc1)c1ccccc1CSc1nc2ccc(Cl)cc2[nH]1 1857768920 SOBVISQGEWKBQA-MHZLTWQESA-N 412.967 5.816 0 1 HKAF Nc1cc(-c2cccc(C(F)(F)F)c2)c(C(=O)c2c(Cl)cccc2Cl)s1 1857773919 GWQGVMXPPAHPCE-UHFFFAOYSA-N 416.251 6.554 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC=C2C3=C(CC[C@@]21C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 2356313054 OGQJUYXFIOFTMA-HQBQWIHUSA-N 412.702 8.089 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@H]4C(=O)[C@@](C)(CC[C@@H]4O)[C@@H]3CC[C@]21C 2356333753 VPKWIKLBCGVCGU-SZBCLIHUSA-N 414.630 5.459 0 1 HKAF COc1ccc2c3c(c(=O)oc2c1)[C@@H](C)[C@](C)(CCC=C(C)CCc1cc(C)co1)O3 2356368861 ARCTXLANJJGIEY-DWXRJYCRSA-N 422.521 6.317 0 1 HKAF CCOC(=O)CC(=O)OCC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CCc1ccoc1 2356454161 BBVMQJIDBJNEFS-XAHKRDIJSA-N 416.558 5.488 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356538427 DDJMOMHMVFXEQF-JGDZSBNCSA-N 400.691 7.923 0 1 HKAF C[C@@H](CC[C@@H](C)C(C)(C)O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356738580 VTJZYXUUWSKREG-WSCNWUBWSA-N 416.690 6.750 0 1 HKAF COc1cccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccc(F)cc2F)c1 689960 PMTWFEDVDXSLAP-QFIPXVFZSA-N 424.447 5.420 0 1 HKAF Cc1cccc(C(C)(C)C)c1NC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C 13587426 DRTMLAYVNGCMLY-UHFFFAOYSA-N 403.548 5.657 0 1 HKAF O=C(O)CCCCCCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 13834849 CLHWPQYIZAZQJJ-UHFFFAOYSA-N 424.493 5.750 0 1 HKAF CCCCN(CCOC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12 26993049 JFTUJYKLRDLXHM-UHFFFAOYSA-N 421.372 5.503 0 1 HKAF CCCCNC(=O)OCCCCCCCCCCCCOC(=O)NCCCC 28369802 PPAXTRUEIXSJIG-UHFFFAOYSA-N 400.604 5.940 0 1 HKAF O=C(O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C(F)(F)F)cc2)cc1 28710922 GJZIVJMLRFXUOQ-UHFFFAOYSA-N 400.278 5.275 0 1 HKAF CCN[C@@H](c1ccc(Cl)cc1Cl)[C@H](NCC)c1ccc(Cl)cc1Cl 28764631 JGTMGWSWOOOIOX-HDICACEKSA-N 406.184 6.302 0 1 HKAF O=C1OC[C@H]2[C@@H]1Cc1c(F)cccc1[C@@H]2/C=C/c1ccc(-c2cccc(Cl)c2)cn1 28823198 MSVPBGONMUALMI-AEXASODUSA-N 419.883 5.683 0 1 HKAF CC(C)=CC[C@H](C(N)=O)N(Cc1cccc(C)c1)Cc1cc(-c2ccc(C)cc2)on1 29564653 GRHFHWHXOFFLAL-XMMPIXPASA-N 417.553 5.171 0 1 HKAF Nc1sc2c(c1C(=O)c1cccc(C(F)(F)F)c1)CCN(Cc1ccccc1)C2 29569832 YECOLIOURFRXLE-UHFFFAOYSA-N 416.468 5.138 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 39205542 PUGBZUWUTZUUCP-AVSPRKPXSA-N 400.691 7.635 0 1 HKAF FC(F)(F)c1cccc(CCNc2nccc(NCc3ccccc3Cl)n2)c1 45211036 QYMQXFZLQBNADZ-UHFFFAOYSA-N 406.839 5.416 0 1 HKAF O=C(Nc1ccc(F)cc1)OC[C@]1(C(F)(F)F)OC(=O)Nc2ccc(Cl)cc21 45302224 STVRTRQYADRHPO-INIZCTEOSA-N 418.730 5.048 0 1 HKAF CC(C)N1CC2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)[C@@H]1c1ccc(F)cc1 62213028 FUFSYTRGRNSZRV-NRFANRHFSA-N 417.475 5.183 0 1 HKAF Clc1ccc(-n2nc3c(cnc4ccc(-n5ccnc5)cc43)c2OCC2CC2)cc1 66076663 DOAWPHZLUZJQQM-UHFFFAOYSA-N 415.884 5.202 0 1 HKAF Fc1ccc(-c2cc3nc(-c4ccccc4)cc(NCCCN4CCCC4)n3n2)cc1 72182538 ZJASFDXNYFNGAR-UHFFFAOYSA-N 415.516 5.100 0 1 HKAF COCCn1c(-c2ccc(Cl)cc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82187902 QKBUUNQYSZUSBN-INIZCTEOSA-N 421.932 5.009 0 1 HKAF c1ccc([C@H](c2ccc(CN3CCNCC3)cc2)C23CC4CC(CC(C4)C2)C3)cc1 95557914 MQTVNZPDZXPNCY-CIMIUGIWSA-N 400.610 5.440 0 1 HKAF CC(C)c1ccc(CNc2ccc3ncn(-c4ccc(OC(C)(C)C)cc4)c3c2)cc1 95583958 WESVCIORFMHABH-UHFFFAOYSA-N 413.565 6.938 0 1 HKAF CCn1c2ccccc2c2cc(NC(=O)CSC(=S)N3CCCCC3)ccc21 98082854 OHTIXKWMYHHVQD-UHFFFAOYSA-N 411.596 5.257 0 1 HKAF CC(C)=CCC/C(C)=C/COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 103204916 CUSYZGZRDAJYFS-HEHNFIMWSA-N 400.522 6.389 0 1 HKAF O=C(Nc1ccc(-c2ccc(F)c(F)c2)c(-c2nc3ncccc3o2)c1)c1ccco1 103259440 YLBLBWMWBZSGIO-UHFFFAOYSA-N 417.371 5.680 0 1 HKAF COC(=O)c1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCCC2)cc1 103993315 NBBWGQNETUOWLE-QFIPXVFZSA-N 423.509 5.157 0 1 HKAF Cc1nc2sc3c(c2c(-c2cccnc2)c1[C@H](OC(C)(C)C)C(=O)O)CCCC3 113123817 RVICJNQHLPVBRH-FQEVSTJZSA-N 410.539 5.486 0 1 HKAF CCCN1C(=O)[C@H](CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 147162781 GRVKUEQTAYRZAX-LDQXTDLNSA-N 420.336 5.552 0 1 HKAF COc1ccc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)cn1 148321606 OHBQMKIWEAMRDM-UHFFFAOYSA-N 422.444 5.052 0 1 HKAF COc1cccc([C@]2(O)/C(=C/c3ccccc3)CCC[C@H]2CN(C)c2ccccc2)c1 169301490 QHGNABMBLIIATG-VEADQDIHSA-N 413.561 5.903 0 1 HKAF O=C(Nc1ccc(F)cc1)c1ccc(SCC(=O)c2coc3ccccc23)nc1 261183421 WPFVKBZKZQYCEZ-UHFFFAOYSA-N 406.438 5.194 0 1 HKAF C[C@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)C1 299845615 MIXABWQHZDQHOX-BTYIYWSLSA-N 418.368 5.309 0 1 HKAF O=C1C[C@H](Sc2ccc(F)cc2)N1C(=O)NCC(c1ccccc1)c1ccccc1 299864618 MQQRXQGFDWJYKH-QHCPKHFHSA-N 420.509 5.018 0 1 HKAF CCCCc1cc(=O)oc2cc(OCc3nc4cccc(C(C)(C)C)c4[nH]3)ccc12 586918158 JGMANSGCPCMHQY-UHFFFAOYSA-N 404.510 5.888 0 1 HKAF CCOc1cc(/C=C\c2nc3ccc(SC)cc3[nH]2)cc(Br)c1OC 586975982 QRKNGIRDYSLSDD-YVMONPNESA-N 419.344 5.625 0 1 HKAF CCc1ccc(-c2nc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)cs2)cc1 587015356 AUBWZOKRDMJNET-UHFFFAOYSA-N 411.530 6.495 0 1 HKAF Cc1ccnc2[nH]c(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)nc12 587019278 WRDUWMAIKLQJDH-UHFFFAOYSA-N 403.338 6.023 0 1 HKAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)c1 587049948 KHBBYZZYPHFNBG-UHFFFAOYSA-N 422.710 5.391 0 1 HKAF Cc1ccc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c1C 587086447 KMTXWXSRFHWUBA-PKNBQFBNSA-N 411.336 6.210 0 1 HKAF Cc1ccc2c3c(c(Cc4cccc(C5OCCO5)c4)cnc13)-c1ccccc1C2=O 587100539 CLGOVXDBXYOTKX-UHFFFAOYSA-N 407.469 5.391 0 1 HKAF Cc1nc2c(C)ccc3c2c(c1Cc1ccc(OC[C@@H]2CO2)cc1)-c1ccccc1C3=O 587102569 XPQUPTZSABDIFC-HXUWFJFHSA-N 421.496 5.431 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 587195495 IGZMZXPFQYQVQN-UHFFFAOYSA-N 421.419 5.808 0 1 HKAF C[C@@H]1Cc2ccc(Cl)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587329389 LLKHJAONEOFIGJ-IKGTYDGASA-N 408.856 5.631 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H](c3ncccc3O)C2)[C@@H]1c1ccc(F)cc1 587333891 DAMDAQQWIFETHS-PKHVTESESA-N 419.452 5.087 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1cccc(SC)c1)(c1ccc(F)cc1F)[C@@H](C2)C3=O 587425611 FYOUWFBRSCGUKR-CYFREDJKSA-N 424.468 5.387 0 1 HKAF COc1cc(OC)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587498165 FWDKLYRBTHJYKN-LJQANCHMSA-N 417.299 5.052 0 1 HKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1cccc(Cl)c12 587500413 ORENHFLACAHGHJ-SANMLTNESA-N 414.888 5.672 0 1 HKAF O=C1C[C@]2(CC(=O)N(c3ccccc3)c3ccccc32)Oc2c1ccc1c2CCCC1 587518292 FDHCVGJASRLSSV-HHHXNRCGSA-N 409.485 5.495 0 1 HKAF O=C1C[C@H](c2sc3ccccc3c2Br)Oc2c1ccc1c2CCCC1 587534216 BTIAGMFFUXVHBI-QGZVFWFLSA-N 413.336 6.249 0 1 HKAF Cc1[nH]c2ccc(Cl)cc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551629 HUSJTZZRIZBBPW-NFBKMPQASA-N 405.837 5.538 0 1 HKAF O=Cc1cccc([C@@]2(C3CCCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587604212 VHOPHVZGAGJGNJ-JYFHCDHNSA-N 414.457 5.252 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(c1cccs1)c1cccs1 587613362 OIVNTOJZAJWXOU-IBGZPJMESA-N 406.484 5.421 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2ccsc2)c1 587620398 YZTTVOVJKHPCEQ-URXFXBBRSA-N 400.455 5.824 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3c(Cl)ccc(F)c3Cl)c(C(=O)C(=O)OC)c2c1 587643142 RWRLFLWTVBEBRS-JTQLQIEISA-N 422.283 6.150 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Br 587681036 WAPUOMCQSHACJU-BMLIUANNSA-N 413.128 5.283 0 1 HKAF Cc1cccc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc12 587707150 UHKCVQUIDQHBMZ-WYRIXSBYSA-N 419.725 5.722 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(F)(F)F)c2Cl)N1 587712867 RDGVXMBNNBCPKB-ZKANADHPSA-N 422.647 5.884 0 1 HKAF CCC[C@H](CC1(c2nc3cccc(F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782758 XZVKTGUOFKVFSR-LJQANCHMSA-N 408.517 6.064 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(-c4ccccc4)cc32)N1 587817629 MRTRQQFHNZCIIE-OWJWWREXSA-N 422.341 5.979 0 1 HKAF C(=C\c1ccccc1Oc1ccccc1)\c1nc2ccc(OCc3ccccc3)cc2[nH]1 587949864 LRPOZDUCCOZVSZ-SDXDJHTJSA-N 418.496 7.105 0 1 HKAF Nc1ccc(-c2ccc3nc(Cc4ccccc4Oc4ccccc4)[nH]c3c2)cc1N 587949940 OEOOHLKSYKSGPC-UHFFFAOYSA-N 406.489 5.777 0 1 HKAF COc1ccc2c(c1)c([C@@H]1c3cc(OC)c(OC)cc3C[C@H](C)N1C)cn2C(C)C 962625021 MBLKWIRFCJKVLT-LMKMVOKYSA-N 408.542 5.214 0 1 HKAF CC1(C)CC(Nc2ccccc2N)=C[C@@]2(C1)NCCc1cccc(-c3ccccc3)c12 962666001 LXQDEFVDNHKEHR-NDEPHWFRSA-N 409.577 6.093 0 1 HKAF C[C@@]1(c2ccc(F)cc2Cl)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962961150 STEQGIPWOBYIJH-LJQANCHMSA-N 413.842 5.413 0 1 HKAF Cc1ccc(C(F)(F)F)cc1[C@]1(C)c2ccsc2CCN1Cc1cccnc1 962998788 VYKMUNKFPXEMTL-NRFANRHFSA-N 402.485 5.792 0 1 HKAF Cc1ccncc1[C@]1(c2ccc(C(F)(F)F)cc2)NCCc2c1sc(C)c2C 963018410 FOGOEIMRZLNDOP-NRFANRHFSA-N 402.485 5.525 0 1 HKAF Cc1ccnc2c1CCN[C@@]2(c1cccc(CN2CCCC2)c1)c1ccccc1Cl 963070050 DZLUSXVBMBOSFF-SANMLTNESA-N 417.984 5.077 0 1 HKAF CN1CCc2c(Br)cccc2[C@]1(c1cccc(Cl)c1)c1ccccn1 963280175 NNFZHZYFPWUXRL-OAQYLSRUSA-N 413.746 5.277 0 1 HKAF O=C(c1ccccc1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc(Cl)c(Cl)c1 1857576829 RSDQYWPOMZZGPK-QHCPKHFHSA-N 421.327 6.263 0 1 HKAF COc1ccc(-c2cccc(N3CCCC3)n2)cc1NC(=O)Nc1ccc(Cl)cc1 1857594041 FPOLACACERSOEF-UHFFFAOYSA-N 422.916 5.655 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(C4(C)OCCO4)=CC[C@@H]32)C1 1857624290 RKDVZUVKDIUZHM-WQZNWFMBSA-N 402.575 5.260 0 1 HKAF COc1ccc(-c2nc3c(cc(N(C)c4ccc(Cl)cc4)c4ccccc43)o2)cc1 1857745078 KKLJFSAZOIRCTH-UHFFFAOYSA-N 414.892 7.078 0 1 HKAF CCC[P@@](=O)(Oc1ccccc1)[C@@H](CC(C)C)NC(=O)OCc1ccccc1 1911573294 NDVFUMZQTGXLKI-RBTNQOKQSA-N 403.459 6.052 0 1 HKAF CC(=O)OCC1=C[C@@H](OC(=O)C=Cc2ccccc2)[C@H](C(C)C)CCC(C)=CCC1 2356382449 AWKGANINHRSJDK-LOSJGSFVSA-N 410.554 5.894 0 1 HKAF CC1(C)CC[C@]2(C)C[C@]3(C)[C@@H]4CC=C5[C@H](CC[C@H](O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@@H]2C1 2356508918 UTFIVTJATBGEOF-RLOZHXPHSA-N 412.702 7.779 0 1 HKAF C[C@H](CO)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356577431 DKISDYAXCJJSLZ-NCNOERHGSA-N 404.679 6.441 0 1 HKAF C[C@@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@H]1OC1CCCC1 2356603620 HGHCDDIPMDTEIA-UJRDJDJOSA-N 414.630 5.856 0 1 HKAF CC(C)(C)c1ccc(CC(=O)N2CC[C@@]2(C)C(=O)Nc2cccc3c2CCCC3)cc1 61905364 HBZKNLYVPRIYHQ-MHZLTWQESA-N 418.581 5.035 0 3 HKAF COc1cc(C(=O)O)ccc1Cn1cc(C)c2ccc(NC(=O)CC3CCCC3)cc21 13650700 VPAUJUXEEKHADU-UHFFFAOYSA-N 420.509 5.224 0 1 HKAF CC(C)=CCc1c2c(c(O)c3c1O[C@@H](c1ccccc1O)CC3=O)C=CC(C)(C)O2 14594322 IAKVRAMIQPWTDR-HXUWFJFHSA-N 406.478 5.497 0 1 HKAF biogenic CN(C(=O)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccc(Cl)cc1 28826700 WIFDZDPBTTYIAM-UHFFFAOYSA-N 422.790 6.181 0 1 HKAF CCOC(=O)c1c(N)sc(-c2ccc(OC)cc2)c1-c1cccc(C(F)(F)F)c1 29132546 PEINHAORGJHGIG-UHFFFAOYSA-N 421.440 5.868 0 1 HKAF CSc1ccc(C2=C(c3ccc(C(F)(F)F)cc3)C(=O)N3CCC[C@H]3C2)cc1 29405452 NLRLMMUONCDISR-KRWDZBQOSA-N 403.469 5.733 0 1 HKAF C[C@]12CC[C@H]3[C@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)n1ccc2ccccc21 36188605 ZKJLGJLBCWOCRC-OKWGHMJASA-N 416.565 5.195 0 1 HKAF Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCO 38268582 ZERTUXJRUFAAPZ-DENIHFKCSA-N 412.595 5.546 0 1 HKAF CN(CCN)Cc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1 45202525 DZCKQNPXWJSOIV-UHFFFAOYSA-N 424.470 5.306 0 1 HKAF O=C(Nc1cccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)c1)c1ccncc1 45302384 ZWZAURPRCSNNRE-UHFFFAOYSA-N 408.436 5.683 0 1 HKAF O=C(Nc1nnc(Cc2ccccc2)o1)c1cc(-c2ccccc2)nc2ccccc12 66114250 AIGSXPWRDDHJTH-UHFFFAOYSA-N 406.445 5.128 0 1 HKAF COc1cc2nc(N(C)Cc3ccccc3)nc(NC3CCCCC3)c2cc1OC 82124974 WYPWYEULOBGWBE-UHFFFAOYSA-N 406.530 5.028 0 1 HKAF CC(C)CC[C@H]1C[C@H]([C@]23CC[C@H]([C@H](N)C2)C(C)(C)O3)C[C@H](Cc2ccc(N)nc2)C1 85543296 UTEGCQVUERHPEW-NLTVHONMSA-N 413.650 5.350 0 1 HKAF biogenic,in-vitro C[C@H]1CC=C[C@](C)([C@@H]2C[C@H](Cc3cc(O)cc(CCCO)c3)CC3(CCCC3)C2)C1 85543624 WAVVAHNLJRLTOM-CIMCOABOSA-N 410.642 6.829 0 1 HKAF biogenic,in-vitro CCCCCN(CCCCC)C[C@H](O)c1cc(-c2ccccc2)nc2ccccc12 100675672 WSSAZUACODWQIP-MHZLTWQESA-N 404.598 6.618 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913806 LNNXWNOUIHYAOR-JIGCPDEPSA-N 420.678 5.554 0 1 HKAF in-vitro CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]21C 135753215 HPKNCAAZGBOERA-XXPUDMTESA-N 410.730 9.985 0 1 HKAF CC(C)CC(=O)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 143021308 BZGGAMPMNAQGGD-UHFFFAOYSA-N 410.481 5.038 0 1 HKAF CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CC3CC3)ccc21 145881967 FDCJBNUENMJJOW-UHFFFAOYSA-N 409.489 5.939 0 1 HKAF CN(C)[C@]1(c2ccc(Br)cc2)CC[C@@](O)(CCc2ccccc2)CC1 169315363 PRSUTWWKYIVBEU-SZPZYZBQSA-N 402.376 5.144 0 1 HKAF O=C(c1cc(Nc2ccc(Cl)cc2Cl)c(O)cc1O)N1Cc2ccccc2C1 169343544 RDTXDLNNGRSXJZ-UHFFFAOYSA-N 415.276 5.304 0 1 HKAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4Cc5oc(C(=O)C(F)(F)F)cc5C[C@@]43C)[C@H]1CC[C@@H]2O 169372227 BHPRNKARHZGVNR-TVHXCBJHSA-N 410.476 5.343 0 1 HKAF CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 169684335 MPYAIDWTDSTPEU-CEJGTPGPSA-N 420.678 5.554 0 1 HKAF Brc1cnc(NCc2cc(-c3ccccc3)no2)nc1Nc1ccccc1 203006072 TVLZGGCHPNSJEY-UHFFFAOYSA-N 422.286 5.250 0 1 HKAF C=CC(=O)Nc1cccc(Oc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)c1 205508811 GAQFCZKQAZVCPE-UHFFFAOYSA-N 424.460 5.435 0 1 HKAF C[C@@H]1CC[C@@H]2C(C)(C)[C@@H](OC(=O)c3ccc(Br)cc3)[C@@]3(C)CC[C@]21C3 238740334 YODAIHIUPVFADG-ZKCBBZMJSA-N 405.376 6.237 0 1 HKAF CC1(C)CC[C@@]2(C)C(=CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)C1 238747077 DHEZBSKKDBWIDN-AHNCAJPUSA-N 424.713 8.377 0 1 HKAF CC(=O)O[C@@H]1CC[C@H]2[C@H](CC[C@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@@H](C)/C=C/CC(C)C)CC[C@H]32)C1 255271088 UCACJVAPKGZMLE-NBEDJZGBSA-N 414.674 7.425 0 1 HKAF CC(C)CC(=O)C[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1[C@@H](O)C3 255271799 UOJBXGHJDKOZGJ-OZJLDSBMSA-N 416.646 5.683 0 1 HKAF CC1(C)CC[C@]2(C)C[C@]3(C)[C@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 255272123 UTFIVTJATBGEOF-XOMBHNPZSA-N 412.702 7.779 0 1 HKAF C/C=C(\CC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 255281469 XPRWWANUPMYKMF-XFVTWJKKSA-N 410.686 7.865 0 1 HKAF CC[C@H](CC[C@@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@H]1CC3)C(C)C 255283456 YCBMXIIYHMNHDU-RYXCRVNMSA-N 414.718 8.169 0 1 HKAF C[C@@H]1[C@]2(CC[C@@H](C)CN2)O[C@@H]2C[C@@H]3C(=CC[C@@H]4[C@@H]3CC=C3C[C@H](O)CC[C@]34C)[C@@]12C 257622365 XLQGICHHYYWYIU-UUCOKIOISA-N 411.630 5.207 0 1 HKAF O=C(C[C@@H]1Oc2cc(O)ccc2C=C1c1ccc(O)cc1)c1cccc2ccccc12 299818975 AXHXZBWJEDCVHW-MHZLTWQESA-N 408.453 5.826 0 1 HKAF O=[S@@](c1cccc(C(F)(F)F)c1)c1c(O)c(-c2cccnc2)cc2ccccc12 299826110 FJWHHVPFHLETMI-LJAQVGFWSA-N 413.420 5.793 0 1 HKAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(Cl)ncc4[nH]3)c(=O)oc2c1C 586917153 FTFOKCVPMQDQJH-UHFFFAOYSA-N 423.900 5.270 0 1 HKAF Cc1c(-c2ccc(Br)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586985383 VLFIMIGIIYRVIB-UHFFFAOYSA-N 416.274 5.890 0 1 HKAF C[C@@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1ccccc1C(F)(F)F 586985961 IJNRFIHVPHEHSD-CYBMUJFWSA-N 419.402 6.322 0 1 HKAF COc1ccccc1C[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990886 HMVAOLGEMULWMV-INIZCTEOSA-N 407.469 5.433 0 1 HKAF Cc1nc(C)c2c(C)c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)sc2n1 586994106 URCRFSPKJQFFGC-UHFFFAOYSA-N 423.497 5.749 0 1 HKAF CCc1ccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2c1 587007679 NHJVYSYSZVPVER-UHFFFAOYSA-N 424.298 5.324 0 1 HKAF Cc1cc(Cl)cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12 587091443 LEFWONOUBMYGEW-UHFFFAOYSA-N 409.717 5.547 0 1 HKAF CCCCc1nc2cccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c2o1 587097756 SOIKWOXYUITVQY-UHFFFAOYSA-N 418.496 6.905 0 1 HKAF COc1ccc2[nH]c3c(c2c1)CCc1c-3nc2cccc3c2c1-c1ccccc1C3=O 587105504 BMSQLPFDQBMZPN-UHFFFAOYSA-N 402.453 5.702 0 1 HKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587113931 OSXGDSDASFHGCR-ZETCQYMHSA-N 408.733 5.342 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Cl)c(F)cc4[nH]3)c(F)c2)c1 587146950 CMIMYQSXEVECFI-UHFFFAOYSA-N 414.795 5.535 0 1 HKAF Fc1cncc(Cl)c1Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587176441 UUQYCXOYWWVSHQ-UHFFFAOYSA-N 424.579 5.002 0 1 HKAF Cc1nc(-c2ccc(O)cc2)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208349 QOWGBTDGUCXPGB-UHFFFAOYSA-N 420.493 6.251 0 1 HKAF CC[C@@]1(c2cc(F)c(O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328060 ANAFRFZHJAGWOZ-REWPJTCUSA-N 414.379 5.180 0 1 HKAF O=C1c2ccc(O)cc2OC2(c3ccccc3Oc3ccccc32)[C@@H]1c1ccc(F)cc1 587356106 IFRKOOOFBDQBJL-RUZDIDTESA-N 424.427 5.940 0 1 HKAF COc1cccc(-c2cc(CC(=O)NCc3ccccc3)nc3c2oc2ccccc23)c1 587363574 UKDCYZSICVZTCN-UHFFFAOYSA-N 422.484 5.516 0 1 HKAF COc1cccc(-c2cc(-c3ccc(-n4cnnn4)cc3)nc3c2oc2ccccc23)c1 587363914 QQNIJDNWIGZFFP-UHFFFAOYSA-N 419.444 5.299 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(F)c(OC)c3)cc1)CC2=O 587468629 YSWMDTXPPYBZKM-QHCPKHFHSA-N 406.453 5.866 0 1 HKAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)cc1OC(C)C 587504984 KDTJOVYLAOXLEW-HXUWFJFHSA-N 400.902 5.721 0 1 HKAF CN(C)/C=C/[C@@]1(c2ccc(OC(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587508185 STSLFHLFQDBONW-XXFRDUSWSA-N 413.464 5.103 0 1 HKAF Fc1ccccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1 587622394 MHAOMRPTLYIDSD-UHFFFAOYSA-N 406.258 6.280 0 1 HKAF Cc1ccc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc2c1 587708480 XZWHKQPREVFQIB-NSPYISDASA-N 419.725 5.722 0 1 HKAF CC[C@@]1(c2ccccc2C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587711009 IOIMAPHVCLVCPX-ZMZPIMSZSA-N 416.256 5.795 0 1 HKAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC1CC1 587806037 ILOXDVOEHXEOLQ-LAJNKCICSA-N 420.322 5.009 0 1 HKAF CC(C)CSc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587841485 BCZOPKVLIJFHDD-XCLFUZPHSA-N 408.380 5.960 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cscc2Br)N1 587856186 WQPLZBGWBQRTOZ-VXJOIVPMSA-N 419.157 5.210 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(CC)cc1 587859281 VATTVXMMJSHVMM-UHFFFAOYSA-N 419.308 5.537 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc(F)cc2)o1 587871042 XUMHUJVFBLDOSZ-UHFFFAOYSA-N 424.403 5.088 0 1 HKAF CCOc1cc(C=O)c(OCC)n1-c1cccc(Cl)c1Oc1ccccc1OC 587942189 WATFDDUNWRBITR-UHFFFAOYSA-N 415.873 5.542 0 1 HKAF c1ccc(COc2cccc3nc([C@@H](Cc4ccccc4)c4ccccc4)[nH]c23)cc1 587955241 IZSQZDMVMUXVPB-DEOSSOPVSA-N 404.513 6.517 0 1 HKAF Cc1cc(F)cc([C@@]2(c3ccc(Cl)cc3)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963022638 KEQAGFBORSNREU-PUAOIOHZSA-N 420.915 5.133 0 1 HKAF COc1cccc2cc3c(nc12)[C@]1(CC(=O)C[C@H](c2ccc(C(C)C)cc2)C1)NCC3 963061414 BTJRKRMHHLMJTB-CUNXSJBXSA-N 414.549 5.245 0 1 HKAF COc1ccc(CC[C@]2(C3(O)CCCCC3)c3c(F)cccc3C[C@H]3CCCN32)cc1 963101213 QPOGDGQFLQFQDE-AJTFRIOCSA-N 423.572 5.378 0 1 HKAF COc1ccc(CN=c2[nH]n(C3CCCC3)c3ccc(C(F)(F)F)cc23)cc1F 1857571317 BMPTWPVJXUFUHA-UHFFFAOYSA-N 407.411 5.352 0 1 HKAF CCc1cc2cc(C(F)(F)F)cc(COc3ccc(CCC(=O)O)c(C)c3C)c2o1 1911573075 SSRLHPNVBKNTKN-UHFFFAOYSA-N 420.427 6.227 0 1 HKAF CC1=C[C@H](CNC(=O)C2CCCCC2)[C@@H](C(C)C)C[C@@H]1Cc1nc2cccc(C)c2[n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c2ccccc2)(CC)[C@](CC)(C(=O)O)[C@@H]2[C@H](CC)C(=O)[C@@H](C)[C@@H]12 2356774639 ALLQJQBDLUMIQH-NCYUGMOVSA-N 408.582 6.405 0 1 HKAF Cc1ccc(S(=O)(=O)N2c3ccc(F)cc3C[C@H]2CSc2ccccc2)cc1 205715902 ZQAAMIRGVQDUPD-IBGZPJMESA-N 413.539 5.046 0 3 HKAF CCOC(=O)CCCCCCCC[C@@H](C)c1ccccc1I 3830953 IWRUDYQZPTVTPA-MRXNPFEDSA-N 416.343 6.079 0 1 HKAF world CN(C)C(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 4081350 KUUHUZDQCPLTOJ-FYYLOGMGSA-N 404.897 5.187 0 1 HKAF COc1ccc2c(Sc3ccccc3)c(C(=O)N3CCc4ccccc43)[nH]c2c1 6798853 MZZZAKGZGULGTF-UHFFFAOYSA-N 400.503 5.531 0 1 HKAF CCCOc1cc2ncnc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC 13490854 OKLQGXLTHJASKY-UHFFFAOYSA-N 420.538 5.993 0 1 HKAF COc1cc2nccc(Oc3ccc(NC(=O)c4cccs4)cc3)c2cc1OC 13859498 PJGCXNNYOCGEQN-UHFFFAOYSA-N 406.463 5.358 0 1 HKAF Oc1cc(OCc2ccc3ccccc3n2)ccc1[C@]1(c2ccccc2)C[C@H]2CC[C@@H]1C2 29040864 KNYWUTUCLAODJW-MMOLPGFLSA-N 421.540 6.626 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 31165769 LIIFBMGUDSHTOU-QEPLOWTJSA-N 424.713 8.377 0 1 HKAF biogenic,in-vitro COc1cc(OC)c2c(=O)c(-c3cc(CC=C(C)C)c(OC)c(OC)c3)coc2c1 42890424 PCWHSSLCNUSQJY-UHFFFAOYSA-N 410.466 5.003 0 1 HKAF biogenic O=C(c1cc(Br)c2n(-c3ccccc3)nc3ccccc3c1-2)C(F)(F)F 68583825 ARGJRGDCMISGAI-UHFFFAOYSA-N 419.200 5.638 0 1 HKAF biogenic COc1cc([C@H]2c3c(nc4c(c3N)CCC4)Oc3ccc4ccccc4c32)ccc1O 71296980 JPZOSHNEWNUMJQ-JOCHJYFZSA-N 410.473 5.306 0 1 HKAF CCCCCn1c(-c2ccc(O)c(OC)c2)nc2c(NC3CCCCCC3)ncnc21 82188608 JYJZDFHPXIYEBM-UHFFFAOYSA-N 423.561 5.532 0 1 HKAF O=C1Nc2cc(Br)ccc2/C1=C(/c1ccccc1)c1nc2ccccc2[nH]1 84739137 BACZPYJUEZJHDY-FMQUCBEESA-N 416.278 5.237 0 1 HKAF Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1Cl 95595828 BNMBTZWDCMNZSH-UHFFFAOYSA-N 400.935 5.238 0 1 HKAF COc1ccc([C@H](O)CCc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1 96258466 BZPKZNONVBTDKL-JOCHJYFZSA-N 422.521 5.427 0 1 HKAF CCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)oc2ccc(Cl)cc12 96933905 VWIURPAVBBZINX-UHFFFAOYSA-N 410.945 5.611 0 1 HKAF Fc1ccc(F)c(-c2nc3ccn(Cc4ccc(Br)cc4)cc-3n2)c1 100068431 VWWNJZMPJJKHGO-UHFFFAOYSA-N 400.226 5.139 0 1 HKAF CC1(C)CC[C@@]2(C)CC[C@]3(C)C(=C2C1)CC(=O)[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@]13C 100779562 MQILTVJSXIHHGW-LBLDEZKWSA-N 424.713 8.521 0 1 HKAF endogenous,in-man CN(c1ccccc1)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(C(=O)O)n1 114591911 CJLQZBBQDNYGCJ-UHFFFAOYSA-N 414.436 6.146 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@@H](O)[C@H]4C[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 119266912 YYVUMXYSCXRWIL-DBRRDNJQSA-N 416.690 6.584 0 1 HKAF in-man C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](NC(=O)C5CC5)CC[C@@]43C)[C@@H]1CC=C2n1ccnc1 141896811 OUZRDUUZHNWMHZ-VZDBEYJMSA-N 405.586 5.192 0 1 HKAF COc1ccccc1-n1nc([C@@H]2CCO[C@@H](C(C)C)C2)cc1-c1ccc(Cl)cc1 144838419 VTJFSPOVFGEZFH-HOYKHHGWSA-N 410.945 6.120 0 1 HKAF CC1=CCC[C@@H]2[C@@](C)(CC[C@H](C)CC(=O)O)[C@H](C)C(=O)[C@H](OC(=O)C(C)C)[C@@]12C 238744957 YGGJHJKVJKTBLF-DWWJRKGYSA-N 406.563 5.033 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255227968 LRELJMKLEOTFPQ-KIPOCWPMSA-N 412.702 7.801 0 1 HKAF CC(C)c1cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c(O)c(C(C)C)c1 586896490 MQWOCPPDMLJLTA-UHFFFAOYSA-N 408.727 5.993 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(CCc4cc5ccccc5o4)[nH]c3c2)cc1 586906699 GKYCNCZKWMHCPJ-UHFFFAOYSA-N 412.445 5.673 0 1 HKAF COc1ccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2c1 587018847 QEIXPGUHOLIARI-UHFFFAOYSA-N 418.349 6.328 0 1 HKAF Brc1cc2[nH]c(/C=C/c3ccsc3)nc2cc1OCc1ccccc1 587025411 KJBQBMHKDSHBJU-VOTSOKGWSA-N 411.324 6.136 0 1 HKAF COc1ccc2[nH]c(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCC4)nc2c1 587030271 AXQSZJGZJMCIOF-UHFFFAOYSA-N 423.925 5.694 0 1 HKAF Cc1cc(C)c2nc(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)[nH]c2c1 587130669 NZOLQKPSBZLPIC-UHFFFAOYSA-N 419.435 5.397 0 1 HKAF O=C(O)c1ccc(-c2cc(-c3nc4cc5ccccc5cc4[nH]3)ccc2F)cc1F 587138684 PZBMFVRSWIFKDG-UHFFFAOYSA-N 400.384 6.027 0 1 HKAF CCOC(=O)c1ccc2nc(-c3ccc(-c4cc(OC)ccc4Cl)c(F)c3)[nH]c2c1 587142771 CKNZVVUIQROJII-UHFFFAOYSA-N 424.859 5.875 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc(OC)c(Cl)cc4[nH]3)cc2F)c1 587143445 SUFZUNYKYYMJEH-UHFFFAOYSA-N 417.267 6.360 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc(OC)c(Cl)cc4[nH]3)c(F)c2)c(F)c1 587149484 TUHMJXXOYLLBCD-UHFFFAOYSA-N 400.812 5.846 0 1 HKAF CC(C)COc1cc2nc([C@H](C)Oc3ccc(F)cc3)[nH]c2cc1Br 587169029 QSXOCZHNFHBZHZ-LBPRGKRZSA-N 407.283 5.639 0 1 HKAF Cc1nc2ccncc2cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346790 NJNQPEKGEZQPGH-NOZRDPDXSA-N 414.436 5.057 0 1 HKAF O=C1c2ccc(O)cc2OC2(CC(OCc3ccccc3)C2)[C@@H]1c1ccc(F)cc1 587354086 MTTDFZBYJIMUHI-JKJRPBHFSA-N 404.437 5.008 0 1 HKAF COc1cc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C 587355627 YVKQNIJHGBNWJW-NOZRDPDXSA-N 406.453 5.431 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C(=O)C(F)F)CCC3)c1 587360516 PMZNLZMUVWMQPD-QGZVFWFLSA-N 407.416 5.911 0 1 HKAF COc1cccc(-c2c(C(C)C)c(-c3ccccc3C)nc3c2oc2ccccc23)c1 587364957 HDQHMIVWAWESOJ-UHFFFAOYSA-N 407.513 7.755 0 1 HKAF COc1cccc(-c2cc(-c3ccc(C(=O)O)cc3O)nc3c2oc2ccccc23)c1 587366197 MSCCTXRSMMQCDF-UHFFFAOYSA-N 411.413 5.727 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C(F)(F)F)cc1C(F)(F)F)O2 587381428 IRZIJSHUPHXZSR-QGZVFWFLSA-N 403.322 5.495 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1ccc(C)cc1 587410682 WDMYGLICYRDMDE-DEOSSOPVSA-N 419.546 5.893 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(Cl)cc1N)CC2=O 587463475 XJBJDXXFWFYEOP-XMMPIXPASA-N 407.897 5.489 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N(CC)c3ccccc3)cc1)CC2=O 587469929 QEJPFANOVYUGOT-VWLOTQADSA-N 401.506 6.209 0 1 HKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N1CCCC1 587594605 NEDQHEHVOMDLCW-WIOPSUGQSA-N 401.462 5.004 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccccc3Br)c2c1 587642491 SLOZCFBLFVKGFG-NSHDSACASA-N 424.260 6.694 0 1 HKAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(C(=O)c3ccccc3)c2c1 587648718 GFIHXMOXSYZRJZ-UHFFFAOYSA-N 409.894 5.123 0 1 HKAF O=C(CSc1ccc(Cl)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660417 DNEXAFSSOOGRQY-UHFFFAOYSA-N 424.884 5.289 0 1 HKAF COc1ccc(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587691951 FJLGWOABQOYUMZ-JEOXALJRSA-N 412.730 5.242 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)(F)F)cc2F)N1 587710984 IJIMTBWQVZMVRO-VPTHRUTESA-N 406.192 5.370 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(F)c3)nc2)N1 587727511 BLMPHIBZBLKQOH-XUSGNXJCSA-N 415.281 5.413 0 1 HKAF CCCCn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587758534 QNAIOSADKHCENZ-RCDICMHDSA-N 415.350 5.967 0 1 HKAF CC(C)=C1NCCc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc21 587799552 XUJGPNYYMMMYJX-DMZKTXOQSA-N 415.350 5.108 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)s2)N1 587849308 SIWAMNBUWSPZSG-GLEZIHRCSA-N 419.157 5.210 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc(F)cc1 587855187 LNNUSZXAMWAFOB-LBPRGKRZSA-N 423.271 5.502 0 1 HKAF COc1ccc([C@H](c2ccccc2)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 587931565 ARYOCKUWBUOBLC-FQEVSTJZSA-N 400.375 5.910 0 1 HKAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(Br)cc(F)c3[nH]2)cc1 587936733 LTYLMMRSUSOVBZ-LJQANCHMSA-N 411.274 5.653 0 1 HKAF COc1ccc(-c2cc(O)n(CC[C@H](c3ccc(F)cc3)c3ccco3)c2O)cc1 587946454 UJUWZIKIMAICRA-HXUWFJFHSA-N 407.441 5.529 0 1 HKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587951979 KZFCZLOZFRWPEV-GMXABZIVSA-N 419.285 6.391 0 1 HKAF CCOc1ccccc1OCC[n+]1cn(Cc2ccc(C(C)C)cc2)c2ccccc21 653866707 JUCXHHXARLBLHY-UHFFFAOYSA-N 415.557 5.578 0 1 HKAF Cc1cccc([C@]2(CCc3cccc(Cl)c3)NCCc3ccc(F)c(C)c32)c1C 962297150 ILVWNXRSZKHXGN-SANMLTNESA-N 407.960 6.426 0 1 HKAF COc1ccc2c(c1OC)[C@@]1(CCCc3c1[nH]c1c(Cl)cccc31)N(C)[C@@H](C)C2 962638981 XRFQUTUYQGWZPL-LFPIHBKWSA-N 410.945 5.295 0 1 HKAF Clc1cccc(Oc2ccccc2)c1[C@@H]1NCCc2cccc(-c3ccccc3)c21 962671821 XEZHBKPFDHEVPB-HHHXNRCGSA-N 411.932 7.034 0 1 HKAF CC(=O)Oc1cc(Cl)c([C@@H]2c3ccsc3CCN2Cc2ccco2)c(Cl)c1 962704834 HRVLNCTXJGKJNE-FQEVSTJZSA-N 422.333 5.721 0 1 HKAF Cc1cc(C)cc(CC[C@@]2(c3ccc(F)cc3)NCCc3c2c(C(C)C)nn3C)c1 962925543 ZHZMAMSIYFQAHA-SANMLTNESA-N 405.561 5.322 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cnn(-c3ccc(C(F)(F)F)cc3)c2)N1 962940015 CSUBADAKKNYADG-IERDGZPVSA-N 410.443 5.386 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2cc(Cl)cc(Cl)c2)(C2CCCC2)N1 962943869 DIDKJZSGGHGQOG-CYFREDJKSA-N 413.392 6.833 0 1 HKAF COc1ccccc1-c1nn(-c2ccccc2)cc1[C@H]1NCCc2cccc(Cl)c21 963390430 JJQHBUVYLVCFMW-RUZDIDTESA-N 415.924 5.436 0 1 HKAF OCCSc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccccc3)c2)[nH]1 1772640811 AQPNNVXYZUBJMK-UHFFFAOYSA-N 406.486 5.106 0 1 HKAF OC1(c2cccc(-c3ccc4nc(-c5ccc(Cl)cc5)cn4c3)c2)CCOCC1 1857542392 WSMNBULTJKOYFD-UHFFFAOYSA-N 404.897 5.320 0 1 HKAF O[C@@H]1CN(C[C@H](F)CCc2ccccc2)CCc2cc(OCc3ccccc3)ccc21 1857605099 ZIRKQVXERSGPJJ-SHQCIBLASA-N 419.540 5.128 0 1 HKAF CCOC(=O)C[C@H]1Cc2ccccc2C2(CCC(NCc3ccc(C)cc3C)CC2)O1 1857758691 JRRTZJFVPFHUFV-BPLQSXGDSA-N 421.581 5.126 0 1 HKAF CCOC(=O)c1c(C)oc2ncnc(Nc3ccc(OCc4ccc(C)cc4)cc3)c12 1857773182 FJSXFIKVCIFXOW-UHFFFAOYSA-N 417.465 5.339 0 1 HKAF CC(C)[C@@]1(C[C@@H](C)[C@@H]2CC[C@@H]3C4=CC[C@@H]5C[C@@H](N)CC=C5CC4=CC[C@]32C)C=NCC1 2356399927 KQZKJUXZBIWAKG-GSECQKKOSA-N 420.685 6.876 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)C[C@H](O)[C@]4(C)C3=CC[C@@]12C 2356634186 AZXDOKXVRMMDJJ-MRRDIMRUSA-N 414.674 6.526 0 1 HKAF CC(C)[C@@H]1CCNC1=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](N)CC[C@]4(C)[C@@H]3CC[C@]21C 2356683198 KWJAIEDSFQYEAZ-AOOXMSFLSA-N 424.717 6.678 0 1 HKAF COc1cc(-c2ccc[nH]2)[nH]c1C=C1N=C2C=C1[C@H](CC(C)C)CCCCCCCC2 2356716781 YDZPWDMNENUFNA-FQEVSTJZSA-N 419.613 7.537 0 1 HKAF C[C@]1(C2CCCCC2)O[C@@]2([C@@H]3CCC[C@@H](Cc4ccc(O)cc4)C3)CC[C@H]1[C@@H](N)C2 2356778381 TZZKJBXWDRLWGL-QZFYNUSUSA-N 411.630 5.977 0 1 HKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356797958 OQSIUSSWMZBKFL-UHKYEHAJSA-N 416.646 6.453 0 1 HKAF Brc1ccc(-c2noc3c2-c2nc(-c4ccccc4)sc2CC3)cc1 12726160 WZGSZOMOLBDGDI-UHFFFAOYSA-N 409.308 5.993 0 3 HKAF O=C(OCc1ccccc1)N1C=CCC[C@@H]1c1c(Cl)cccc1Br 72121502 SAVWDWISQZGSRN-QGZVFWFLSA-N 406.707 6.090 0 3 HKAF CCCc1nc2cc(C)c(Br)c(C)n2c1Cc1ccc(OC)cc1C 95568924 GYEYNBUQFZIGQC-UHFFFAOYSA-N 401.348 5.574 0 3 HKAF COc1ccc(NC(=O)OCCN2CCCC23CCC(c2ccccc2)CC3)cc1 205709966 QBZVKWKARJVKCS-UHFFFAOYSA-N 408.542 5.436 0 3 HKAF O=C1C[C@H]2CCN(Cc3ccc(Cl)cc3)[C@H]3CCC[C@@H]([C@@H]1Cc1ccccc1)[C@@H]32 211059771 FMJIAKOMSBSFGS-GQYOZWOXSA-N 407.985 5.779 0 3 HKAF CN(C[C@H](CCN1CCCCC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 13534601 YIJOFUDGMDRJCT-FQEVSTJZSA-N 419.396 5.725 0 1 HKAF CCCCc1cn(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c(CCCC)n1 26576346 YCHJOPRWSUDIDH-UHFFFAOYSA-N 414.557 5.464 0 1 HKAF Cc1cc(SC[C@@H](C)COc2ccc(C(F)(F)F)cc2)ccc1OCC(=O)O 28704689 PBXINEIAHPXNFF-ZDUSSCGKSA-N 414.445 5.284 0 1 HKAF C[C@@H](c1ccccc1)N1CCC(Nc2nc3ccccc3n2Cc2ccccc2)CC1 29566019 FFEBGFLJEZTQNP-NRFANRHFSA-N 410.565 5.722 0 1 HKAF O=C1C[C@@H](c2ccc(Cl)cc2Cl)C[C@@H]2Sc3ccc(Cl)cc3C(=O)[C@H]12 49567368 PZKSLHZFBRDKRX-AHBCHLHISA-N 411.737 6.067 0 1 HKAF CN(C(=O)c1cnc(NCC2CCCCC2)nc1-c1ccc(F)cc1)C1CCCCC1 82139654 MXVYYJWKAFZTDO-UHFFFAOYSA-N 424.564 5.680 0 1 HKAF Cc1nc(-c2cnc(NCc3ccccc3F)nc2-c2ccccc2F)sc1C 82176013 VJLXDMXISSAVFG-UHFFFAOYSA-N 408.477 5.774 0 1 HKAF Cc1cccc(-c2nc(NCC3CCCCC3)ncc2C(=O)N[C@H]2CCCC[C@@H]2C)c1 82216723 MTLAQRVEAZOBKG-CVDCTZTESA-N 420.601 5.753 0 1 HKAF CCNc1nc(NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c2ccccc2n1 84596751 FWQVNAPEDVUMKS-UHFFFAOYSA-N 415.472 5.065 0 1 HKAF Nc1n[nH]c2c1[C@H](c1c(-c3ccccc3)[nH]c3ccccc13)C=C(c1ccccc1)O2 95601139 MMPSUIFZQFTEFL-IBGZPJMESA-N 404.473 5.706 0 1 HKAF Clc1cccc([C@@H](OC2C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2)c2ccccc2)c1 100872541 QJFFUDZGJNXBLG-KLJDGLGGSA-N 417.980 6.642 0 1 HKAF CC(C)[C@](O)(c1ccc(-c2ccccc2)cc1)c1cc2cc(-c3ccccc3)ccc2o1 103180689 ZJPUAFXYIWWXTC-PMERELPUSA-N 418.536 7.659 0 1 HKAF Clc1ccc(N2CCN(C[C@@H]3CC4c5ccccc5C3c3ccccc34)CC2)cc1 103229327 UOBIWBAZOLJYGH-NVJGINGZSA-N 414.980 5.759 0 1 HKAF Cc1nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn2c1-c1cn[nH]c1 114037413 RXMJZQCRGWWPLM-UHFFFAOYSA-N 420.520 5.100 0 1 HKAF CC(=O)O[C@@H]1O[C@H](OC(C)=O)[C@@H]2[C@H]1CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]21C 140228488 OUTIJRXSHCICIB-LNFZDKSJSA-N 406.563 5.070 0 1 HKAF CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1 169330449 MUWKWDIYXZPZRV-UHFFFAOYSA-N 424.331 5.801 0 1 HKAF Cc1cccc(-c2c3c(nn2C)CCc2cnc(Nc4ccccc4)nc2-3)c1Cl 169702246 QPCHNNYNDLEYKO-UHFFFAOYSA-N 401.901 5.348 0 1 HKAF CCC[C@H]1CC(=O)[C@H]2C(=NC(C)=C(C(=O)OCC)[C@@H]2c2ccc(C(C)(C)C)cc2)C1 169728302 VCSIYSHHCXOHRI-GAZXMLTASA-N 409.570 5.755 0 1 HKAF CC[C@H](C)NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc(C)c1 299887981 ZSCPAAWATBNPFJ-XGTXPGHHSA-N 420.601 5.463 0 1 HKAF CCc1nc2cc(O)ccc2c(Oc2ccc(/C=C\C(N)=O)cc2)c1-c1ccccc1 377811222 IKIYPHVVFQMLSC-GDNBJRDFSA-N 410.473 5.461 0 1 HKAF C/C=C/C[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 473108250 LMFVKBXAOJGUNG-REMYHPOOSA-N 413.934 5.076 0 1 HKAF CCCCOc1cc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2cc1Br 586902356 KPBZDEBWTUPAHJ-KSSFIOAISA-N 401.304 5.073 0 1 HKAF O=[S@@](Cc1nc2cc(C(F)(F)F)ncc2[nH]1)C(c1ccccc1)c1ccccc1 586959654 LDDDLIAWGCMFAW-LJAQVGFWSA-N 415.440 5.015 0 1 HKAF CC(C)CCOc1cc2nc([C@@H](C)Sc3ncccn3)[nH]c2cc1Br 586962931 VBPHEWSGUFDQIY-GFCCVEGCSA-N 421.364 5.394 0 1 HKAF Cc1cc(Br)cc2nc(-c3ccnc(Cl)c3Br)[nH]c12 586979634 SIWBEOSYRQYHIU-UHFFFAOYSA-N 401.489 5.112 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3ccnc(Cl)c3Br)nc2c1 586979907 YCEMEKISFMNXHI-UHFFFAOYSA-N 401.489 5.112 0 1 HKAF Cc1c(-c2cc(C(F)(F)F)ccc2F)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586991834 AZJNREDHYVGXKL-UHFFFAOYSA-N 421.393 6.888 0 1 HKAF FC(F)(F)c1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cc1Cl 587006559 GXBBUIKCIBDGID-UHFFFAOYSA-N 415.600 5.541 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5cc(Cl)cnc5[nH]4)c23)cc1 587040419 ZVXNYHYJGLWJAA-UHFFFAOYSA-N 423.954 5.884 0 1 HKAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1 587050441 KTSYRJRCMLPVEZ-UHFFFAOYSA-N 419.916 5.309 0 1 HKAF FC(F)(F)c1cnc2[nH]c(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc2c1 587060985 YAHQOCPWCFNBFC-UHFFFAOYSA-N 424.813 6.512 0 1 HKAF CSc1ccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2c1 587061032 ZQWXSEQKBJDOSB-UHFFFAOYSA-N 401.922 6.820 0 1 HKAF Fc1cc2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc2cc1C(F)(F)F 587063328 TTXINBOSZQHFMB-UHFFFAOYSA-N 404.794 6.632 0 1 HKAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cccc(OCc3ccccc3)c2[nH]1 587080942 VPGVXDZZBOGHTL-LJQANCHMSA-N 416.912 5.519 0 1 HKAF CCCOc1cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1Br 587081462 XAHHWVICHZUXMR-KRWDZBQOSA-N 407.695 5.444 0 1 HKAF Cc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ncc1Br 587102744 XIEXIGZYPBAQSK-UHFFFAOYSA-N 401.263 5.579 0 1 HKAF Cc1ccc2c(ccc3nc(CCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)[nH]c32)n1 587110734 JAFSKZMWTZMFNH-UHFFFAOYSA-N 423.360 6.242 0 1 HKAF Fc1ccc(/C=C(\c2nc3ccc(Oc4ccccc4)cc3[nH]2)c2cccs2)cc1 587164915 ZAAORRNDGHCOCE-QNGOZBTKSA-N 412.489 7.145 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1 587196182 RTEJOWNEXQDFOC-UHFFFAOYSA-N 405.420 5.928 0 1 HKAF C[C@@]1(c2cc(F)c(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328156 AYEHWLYIGIZMAA-KNQAVFIVSA-N 402.343 5.223 0 1 HKAF Cc1cc([C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1F 587332417 LMJHBWQCISKHHH-ILBGXUMGSA-N 406.428 5.643 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H](c3ncccc3O)C2)[C@H]1c1ccc(F)cc1 587333887 DAMDAQQWIFETHS-LREARKGRSA-N 419.452 5.087 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccccn2)(C2CCCC2)[C@@H]1c1ccc(F)cc1 587342133 ZAOVEDSWHHFLEB-ILBGXUMGSA-N 403.453 5.371 0 1 HKAF CCOC(=O)[C@@H](Cc1ccc(C(C)(C)C)cc1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399167 IQHZRMDJVNOPJA-FQRUVTKNSA-N 423.553 5.021 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(-c4ccc(C(F)(F)F)cc4)c1)[C@@H](C2)C3=O 587423150 RKONASDOPAZNMI-RDPSFJRHSA-N 424.418 6.044 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1Sc1cccc(OC)c1)CC2=O 587493212 RFPXABCUWCOWDQ-QHCPKHFHSA-N 420.530 6.211 0 1 HKAF CC(=O)Oc1cc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1 587498309 MRKHFLJVVKSXFI-IBGZPJMESA-N 405.277 5.504 0 1 HKAF CCOC(=O)[C@]1(c2cccc3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587525318 VEVXSENCINLLNI-AREMUKBSSA-N 400.474 5.142 0 1 HKAF Cc1ccc2c(c1)Oc1cc(O)cc(O)c1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587533437 TULKBDCNPSMURZ-AREMUKBSSA-N 414.457 5.300 0 1 HKAF C[C@@]1(c2cnc(-c3ccc(Cl)cc3)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587535454 KYEFJRFJHGNFQK-QHCPKHFHSA-N 409.938 6.223 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(Cl)cc1O 587547809 UQLZAIKXIFFWDC-YLJYHZDGSA-N 403.217 5.108 0 1 HKAF CC[C@@H]1c2cc(OC)ccc2CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587600325 NWWALJCSQPKNTD-SEIBCYHCSA-N 416.473 5.241 0 1 HKAF O=C(c1c(-c2ccc(OC(F)F)cc2)[nH]c2ccc(F)c(Cl)c12)C(F)(F)F 587629779 HFWHVKIRFRCAFH-UHFFFAOYSA-N 407.697 5.974 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(CCCCc3nc4ccccc4[nH]3)c2c1 587640204 GGRCHHYTIGDWBW-OAHLLOKOSA-N 413.487 7.142 0 1 HKAF CCOC(=O)Cc1[nH]c2ccc([C@H](C)CC)cc2c1-c1cc(F)c(Cl)nc1Cl 587643060 RDTVHLLCIKZSFR-LLVKDONJSA-N 423.315 6.295 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3Cl)o2)N1 587702504 ZVWSGKVHLFYZED-YBTHPKLGSA-N 420.709 6.125 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)c(C(F)(F)F)c2)N1 587713600 STVABSKJMFXWBU-XYZCENFISA-N 420.219 5.544 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(Cl)c(Cl)c2)N1 587721725 QIMRGVMNFXBKMC-GYKQLYQFSA-N 407.085 5.658 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCSc3cc(F)c(F)cc32)N1 587730504 JCTGDTAXFYKQRG-DYBLOJMWSA-N 414.290 5.140 0 1 HKAF COc1ccc(C)cc1C(=O)CCc1nc2ccc(OCc3ccccc3)cc2[nH]1 587785690 BCWCHPBSHKQUHY-UHFFFAOYSA-N 400.478 5.274 0 1 HKAF CO[C@@H]1C[C@H](c2ccccc2)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587812373 QIXNMZHAAGIJED-LCFVAKEKSA-N 418.350 5.300 0 1 HKAF CC1=C[C@]2(C[C@@H](c3ccccc3)C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587816718 BZUJGEXPZSCXNB-LZFQIVBZSA-N 400.335 5.842 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccs2)N1 587853197 PMJNHDYYSAXERH-ZUOKHONESA-N 402.332 5.476 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Nc1cc(F)cc(F)c1 587864737 JYBSMHNFKIHJLR-UHFFFAOYSA-N 411.330 5.326 0 1 HKAF Cc1cc(-c2cccc([C@H]3c4ccsc4CCN3Cc3cccn3C)c2)ccc1O 962376196 UUGXUWOAXMDVNI-SANMLTNESA-N 414.574 5.915 0 1 HKAF COc1cc2ccccc2c([C@H]2c3ccsc3CCN2Cc2cccnc2)c1OC 962998669 OPMIRQYLIHFKOE-XMMPIXPASA-N 416.546 5.461 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@]2(CCc1ccccc1)c1ccc(Cl)c(F)c1 963114585 UWSPWHNEBATYKO-ATIYNZHBSA-N 423.934 6.515 0 1 HKAF CCCCCCOc1cc2c(cc1OCCCCCC)[C@@H]1C[C@@H](O)C[C@@H](C)N1CC2 1857547337 JHIZGYUWRWHXAP-SFLYRZDNSA-N 417.634 6.047 0 1 HKAF Cc1ccc(N(C)C(=O)c2ccc3c(c2)C[C@@H](c2ccc(Cl)cc2)OC3=O)cc1C 1857555395 QTTOGZFWZPWGER-QHCPKHFHSA-N 419.908 5.688 0 1 HKAF Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1ccc(Cl)cc1 1857576268 FUFQSQIDXQMXCV-UHFFFAOYSA-N 423.925 6.481 0 1 HKAF Cc1ccc(/C=C/C(=O)Nc2nc(-c3ccc4c(c3)c3ccccc3n4C)cs2)cc1 1857757842 KBQSVTQACRAPPQ-SDNWHVSQSA-N 423.541 6.415 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@]4(O)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356306849 KKCUYJKFHVZXJO-AWCDBSIPSA-N 414.674 6.526 0 1 HKAF CCCCCC=CC(=O)O[C@@H]1C[C@H]2[C@H](CCC[C@H]2CCCC[C@H](O)CCC)N[C@@H]1C 2356454602 QNAATLGQMSSVEO-DJBJKVAOSA-N 421.666 5.923 0 1 HKAF CC1(C)[C@H](O)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@@H]5CCC(=O)O5)CC[C@]4(C)C3=CC[C@@H]12 2356564530 SGQMUBHNHIZPSY-HWGPATPYSA-N 400.603 5.658 0 1 HKAF COc1ccc(C(=O)[C@H](Nc2ccccc2)C(=O)Nc2ccc3ccccc3c2)cc1 206051162 RFWIUVDHAJSCLR-DEOSSOPVSA-N 410.473 5.151 0 3 HKAF C[C@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1)c1ccc(F)cc1 4055862 BYRLNCJUPBCBAW-XFEAKLGESA-N 422.887 5.448 0 1 HKAF CCCCCCOc1c(OC)cc(N[C@H](C)CCCN)c2nc(OC)c(C)cc12 5837463 SFBYZVIXUCMKSN-QGZVFWFLSA-N 403.567 5.059 0 1 HKAF COc1ccc(C2=NN(c3ccccc3)C(=O)[C@H]3CC=CC[C@@H]23)cc1OC1CCCC1 13519236 CMEUONJHZIAWNP-YADHBBJMSA-N 416.521 5.350 0 1 HKAF O=C1O[C@@](CCc2ccccc2)(c2ccccc2)CC(O)=C1SCc1ccccc1 13766436 KNTKFDXNGJKCGE-AREMUKBSSA-N 416.542 6.165 0 1 HKAF COc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccncc3)n2)cc1 28707501 DGNJFBYVFPNFDD-HXUWFJFHSA-N 418.547 5.631 0 1 HKAF COc1ccc([C@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)cc1 28885941 BDHLYFHGXMWWJR-KAYWLYCHSA-N 420.597 5.232 0 1 HKAF CCCn1nc(-c2ccc(Cl)cc2)c2c1/C(=C/c1ccc(Cl)cc1)CSC2 29307375 FAWHLBMAJBRBFP-SFQUDFHCSA-N 415.389 7.054 0 1 HKAF Cc1nc2c(Cl)c(NS(=O)(=O)c3cc(Cl)ccc3Cl)ccc2s1 38192621 GOKDVNXJIHLRFW-UHFFFAOYSA-N 407.731 5.366 0 1 HKAF CC1(C)[C@H]2C=C(CN3CCC(NC(=O)Nc4ccc(Cl)c(Cl)c4)CC3)[C@@H]1CC2 45227922 ZHCQGEQHIUXPJR-QAPCUYQASA-N 422.400 5.572 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCNS(=O)(=O)NCCC 45319383 HBGQXGDMZRPHAX-GKFVBPDJSA-N 410.668 5.966 0 1 HKAF CN(C)CCCOc1ccc(-c2nc3ccccc3c3c2-c2ccc(O)cc2C3=O)cc1 45354222 FDQMPKWDZGTCPT-UHFFFAOYSA-N 424.500 5.149 0 1 HKAF CC1(C)CC(=O)c2c(nc3c(c(C#N)cn3Cc3ccccc3)c2-c2ccc(F)cc2)C1 72322202 OHNNVVJGULTRFK-UHFFFAOYSA-N 423.491 5.917 0 1 HKAF COc1ccc(Nc2nc(Nc3ccc(C)cc3C)cc(N3CCCCC3)n2)cc1 73161459 FOGIYCFXQGFUDY-UHFFFAOYSA-N 403.530 5.580 0 1 HKAF COc1ccccc1[C@H](O)c1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 82078079 JHWVBAMMHFANGC-FQEVSTJZSA-N 405.479 5.164 0 1 HKAF CC[C@@H](C)Nc1ncc(C(=O)NCC2CC2)c(-c2ccc(-c3ccccc3)cc2)n1 82159283 OXSGEYAZKDIEJJ-QGZVFWFLSA-N 400.526 5.161 0 1 HKAF CCc1cnc(-c2cnc(NCc3ccccc3F)nc2-c2cccc(C)c2)s1 82173768 HGKSUYHTXJBNQA-UHFFFAOYSA-N 404.514 5.889 0 1 HKAF COCOc1c(OCOC)c(-c2ccc(O)cc2)c(C)c(C)c1-c1ccc(O)cc1 84597135 HHJUVVJNRIBMAO-UHFFFAOYSA-N 410.466 5.014 0 1 HKAF O=C(Cc1ccccc1)Nc1cc(Nc2ccc3c(c2)CCCCC3=O)ccc1F 95571607 GKLJFRNSTDEUCK-UHFFFAOYSA-N 402.469 5.660 0 1 HKAF Cc1ccc(C[C@H]2CN(C(=O)Nc3ccccc3)N=C2c2ccc(Cl)c(C)c2)cc1 95578885 MPSGYMNNAPVFRL-NRFANRHFSA-N 417.940 6.068 0 1 HKAF Cc1ccc([C@@H]2N(C)c3ccccc3C(=O)N2c2ccccc2OC(F)(F)F)s1 95581404 JXJMVVWVVXYWHA-LJQANCHMSA-N 418.440 5.751 0 1 HKAF COc1cc(Cc2c(-c3cccc4ccccc34)[nH]c3ccccc23)cc(OC)c1OC 95597314 CWHKIBFWNMKEST-UHFFFAOYSA-N 423.512 6.605 0 1 HKAF Cc1csc(Nc2ncc(SCCn3ccnc3)cc2OCc2ccccc2)n1 96284845 RMTMTQSEPUFOTD-UHFFFAOYSA-N 423.567 5.158 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@H]1/C(=C/c1ccc(-c4ccc(Cl)cc4)cc1)CN2C3 100810873 VPTOTYACZAFVTR-OEVGLUJISA-N 421.968 5.684 0 1 HKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(Oc2cccc(Br)c2)nn1 103193095 XKBINXFQDCFMCL-UHFFFAOYSA-N 409.205 6.026 0 1 HKAF CCCCCOc1cc2nnnc(Nc3ccc(OC(F)(F)F)cc3)c2cc1OC 103295914 HOWZOIRYQQKMFY-UHFFFAOYSA-N 422.407 5.245 0 1 HKAF CCN(CC)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3cc4c(cc32)OCO4)cc1 103657065 MXYSQBICHCPPJY-XMMPIXPASA-N 418.537 6.112 0 1 HKAF CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(O)cc2)C2=C(O)CC(C)(C)CC2=N1 103665625 OXWYEXYTJDPSCM-QFIPXVFZSA-N 409.526 5.712 0 1 HKAF CCC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@@H]1c1c(Cl)cccc1Cl 103921742 MAFKRHUYYSPJMA-QFIPXVFZSA-N 415.320 6.560 0 1 HKAF CCCCC/C=C/C(=O)O[C@@H]1C[C@H]2[C@@H](CCCC[C@H](O)CCC)CCC[C@H]2N[C@@H]1C 136152403 QNAATLGQMSSVEO-ZHWJLEQPSA-N 421.666 5.923 0 1 HKAF CC1=CC[C@H](/C(C)=C/C=C/[C@]2(C)CCC(C)=C[C@@H]2/C=C(\C)[C@H]2CC=C(C)CC2)CC1 141458160 GFNIWJNBRRFVIS-DBGJKWLWSA-N 404.682 9.291 0 1 HKAF C[C@H]1CCC([C@H](C)[C@H]2CC[C@H]3[C@@H]4CC(=O)[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)=NC1 169356067 QAGPPGDCPAPQLW-HPPMSMAYSA-N 413.646 5.692 0 1 HKAF CCC(CC)Cc1c(O)n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O 169718829 MARUCSKPWZWLAL-UHFFFAOYSA-N 405.325 5.619 0 1 HKAF Cc1ccc2c(c1C)C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 238768051 WDJDZMKAFALYIS-RZEPBSNRSA-N 422.653 6.234 0 1 HKAF CC(=O)N(C)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C 255273496 VPOYXIYUORUTSW-OAWPPIBFSA-N 402.667 5.442 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257562754 VETZNBAGZJYCQT-KVIHOZQYSA-N 414.674 7.102 0 1 HKAF endogenous,in-man CCc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2)s1 299886719 XRMBKORUOZPDCM-SLWXAUBPSA-N 418.610 6.312 0 1 HKAF Clc1ccc(Br)cc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 586980305 OLOJYBSXXBIJID-UHFFFAOYSA-N 415.743 6.797 0 1 HKAF N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 586984793 UTISKFNNUDZTHF-SFHVURJKSA-N 424.367 5.719 0 1 HKAF COC(=O)c1ccc2c(c1)CCCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990181 ARWXRJKQKOIPQJ-UHFFFAOYSA-N 421.452 5.094 0 1 HKAF CC(C)(Oc1ccc(Br)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586995436 HCNVTSYWYDAZTB-UHFFFAOYSA-N 403.173 5.196 0 1 HKAF Cc1nc(Br)sc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587010918 JQYNPAZUVKSVTF-UHFFFAOYSA-N 400.301 5.336 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(Br)cc(C)c2[nH]1 587015083 WWNOOYAYNYMTOG-UHFFFAOYSA-N 418.747 6.386 0 1 HKAF Cc1nc(COc2cccc(-c3nc4cc(Br)c(F)cc4[nH]3)c2)cs1 587020178 FUTOOJWCSAJANO-UHFFFAOYSA-N 418.291 5.475 0 1 HKAF Clc1ccc(-n2cccc2)cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 587050445 NLMUJEAVFKQGFP-UHFFFAOYSA-N 408.086 5.485 0 1 HKAF FC1(F)Oc2cc3nc(-c4ccc(COc5ccccc5Cl)o4)[nH]c3cc2O1 587064372 JREPZTOQBSBKHT-UHFFFAOYSA-N 404.756 5.377 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3ncccc3Cl)[nH]c12 587065813 YEOJUVFYONPHEB-UHFFFAOYSA-N 416.790 5.549 0 1 HKAF Cc1cc(C)c2[nH]c(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)nc2c1 587086875 NLISTVICUKHSDY-CMDGGOBGSA-N 411.336 6.210 0 1 HKAF C/C=C/C[C@@H]1Cc2nc3c(C)ccc4c3c(c2[C@@H]1CC(=O)OC)-c1ccccc1C4=O 587097893 ORWGZDNAVXGBAS-ZABPZDLMSA-N 411.501 5.540 0 1 HKAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(C)c(C)c4[nH]3)nc2n1 587114789 HSYLRYRZKWMUTN-UHFFFAOYSA-N 419.476 5.646 0 1 HKAF FC(F)(F)c1nn(CCc2nc3c(Cl)cnc(Cl)c3[nH]2)c(C2CC2)c1Cl 587117389 RRYYDTVGBJOYBQ-UHFFFAOYSA-N 424.641 5.254 0 1 HKAF Cc1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2cc1Cl 587117905 XUSKUTVPQGVWPD-UHFFFAOYSA-N 403.235 5.514 0 1 HKAF Cc1cc(Br)cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 587121815 MCAAAQHZSVCZMH-UHFFFAOYSA-N 411.181 5.076 0 1 HKAF Cc1c(F)ccc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc12 587131170 VIRQWILIQXSROZ-UHFFFAOYSA-N 423.398 5.228 0 1 HKAF Cc1c(Br)ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587152835 SGFPVLKGHMWRKA-HXUWFJFHSA-N 410.290 5.974 0 1 HKAF CC(C)(C)c1cccc2nc(/C=C\c3cccc(I)c3)[nH]c12 587183059 AJRTYEAOLVYFNI-KHPPLWFESA-N 402.279 5.635 0 1 HKAF CC(C)[C@H](c1nc2ccc(F)c(Br)c2[nH]1)N(C)C(=O)OC(C)(C)C 587197564 HVQALNKEDDNBLP-CQSZACIVSA-N 400.292 5.029 0 1 HKAF FC(F)(F)Sc1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1 587229993 PJBGNSJWCHMVPR-UHFFFAOYSA-N 400.429 5.849 0 1 HKAF CCc1c(-c2cc(C)sc2C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587364676 GHXDUGIOMWCSFA-UHFFFAOYSA-N 413.542 7.564 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(Cl)ccc1Cl)[C@@H](C2)C3=O 587424209 YADULGGMFWGNME-MBSDFSHPSA-N 411.284 5.693 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(C(C)(C)C)CC2=O 587459563 YBBIUMOSYVLUDY-QFIPXVFZSA-N 417.343 6.014 0 1 HKAF O=C1C[C@@](c2ccncc2)(c2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587507346 LRQVHSRVOHDLOB-XMMPIXPASA-N 423.434 5.888 0 1 HKAF CCOC(=O)c1[nH]c2c(c1C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)CC(C)(C)C2 587524604 JNFWPSBGIIWODJ-SANMLTNESA-N 421.537 5.212 0 1 HKAF O=C1C[C@@](c2ccccc2)([C@@H]2CCCC[C@H]2C(=O)O)Oc2c1ccc1c2CCCC1 587529869 QZDPNBPNZTVZSI-RQNQAMLKSA-N 404.506 5.317 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc(OC(F)(F)F)c1 587552585 AWWGHDRARCBQRD-YLJYHZDGSA-N 420.314 5.133 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccsc2)cs1 587609866 ALDGCZYJRYDTGP-KNQAVFIVSA-N 406.484 5.885 0 1 HKAF Cc1oc2ccc(O)cc2c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615793 HMSLALSJTYGTOO-ZJSXRUAMSA-N 402.402 5.029 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cc(O)cc2Cl)N1 587698592 YYZJWBRUCRWZLB-QZTNRIJFSA-N 405.094 5.224 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2ccc(Cl)cc2)N1 587704098 SAMRIOYYUFKWLY-VXBHKPKKSA-N 423.757 5.095 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)c(F)c2)(C(F)(F)F)N1 587709138 IRBKNOMYXMCFSL-BCTVWOGZSA-N 424.182 5.207 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCSc2ccc(F)cc2)N1 587732357 MASRDLVVRBRMIL-HXPMCKFVSA-N 412.343 5.659 0 1 HKAF CCc1nc2cccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2o1 587777143 FLCKZZWTIJUAIQ-GIPWTMENSA-N 403.295 5.090 0 1 HKAF CC(C)CCOc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587788833 AFOXMSUFUFMJHQ-SZNDQCEHSA-N 406.339 5.637 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)s2)N1 587846169 GYWFGPSHKNMVAZ-JKYUHCHBSA-N 405.130 5.036 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(Br)c2)N1 587846480 HTYVGIZJKRIYBU-UOWDBTKRSA-N 405.130 5.036 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2ccccc2[nH]c1=S 587864898 SWLAWUUZRMBGIX-UHFFFAOYSA-N 402.401 5.172 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1ccc2ccccc21 587865876 NCXSKNZGQFYSAD-UHFFFAOYSA-N 413.399 5.263 0 1 HKAF Fc1cc(-n2c(-c3ccccc3)ccc2-c2ccccc2)c(F)cc1Br 587943671 MVOAVWFONSXAAB-UHFFFAOYSA-N 410.261 6.852 0 1 HKAF Clc1cc(Br)cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 587949300 QWUIELKNSRLGAS-UHFFFAOYSA-N 413.702 6.362 0 1 HKAF COc1nc2ccccc2cc1/C=C/c1noc(-c2ccccc2Br)n1 653799637 ZEOLJGGRNXAHST-ZHACJKMWSA-N 408.255 5.226 0 1 HKAF Cc1nc2c(Cl)cccc2c(Cl)c1CC[C@@]1(C)NCCc2ccc(F)c(C)c21 962095116 VMKATEXKUZXVIW-HSZRJFAPSA-N 417.355 6.291 0 1 HKAF O=C1c2ccccc2[C@]2(NCCc3cccc(-c4ccccc4)c32)c2cc(Cl)ccc21 962666208 LIJNQKDMOBIUIO-NDEPHWFRSA-N 421.927 5.989 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)C2(C[C@@H]3CCC[C@H](C2)N3Cc2cccs2)N1 962945934 HPRIDCNTASUPPR-YBGNSBJYSA-N 405.611 5.566 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@]21C=C(c2ccccc2Cl)Oc2ccccc21 963097863 NTEJYVBWZROHHH-NIYFSFCBSA-N 417.911 6.177 0 1 HKAF C[C@H](CCC=C1CC1)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H](O)CC[C@]45C[C@@]35CC[C@@]12C 1857571433 JPBYBCDJWOLHTR-DRVQKEFGSA-N 424.713 7.923 0 1 HKAF Cc1ccc(NC(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)cc1 1911578642 WGYBJNMDSXBOCF-UHFFFAOYSA-N 406.392 5.025 0 1 HKAF C[C@@H]1C(=O)CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]3CC(C)(C)CC[C@@]3(C)CC[C@@]21C 2356399348 SVZQHKOMCQDKKO-DJWKMLMCSA-N 412.702 8.067 0 1 HKAF CCOC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356433471 KJDSVVPFPBNSOM-HVIRRSATSA-N 402.619 5.906 0 1 HKAF CC(C)=C[C@@H]1C[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2Cc4c([nH]c5ccccc45)[C@@]23C)O1 2356527113 WQLADPPAYVUSAB-YFNHGAIGSA-N 403.610 6.938 0 1 HKAF C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 2356642984 BADUKLRFTFBRSD-FFNVBYATSA-N 415.662 5.760 0 1 HKAF C[C@H](C=CC(=O)O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356655911 ARCYVWZDZTZORR-KLHGQACPSA-N 412.614 6.438 0 1 HKAF CC=C(C)[C@@H](O)[C@H](C)C=C(C)C=CCC(C)=CCc1oc(O)c(CC)c(=O)c1C 2356741595 CQGOJARIWQVTKT-AUSIDOKSSA-N 400.559 5.561 0 1 HKAF CC(C)=CCC(C)=CCC(C)=CCC(C)=CCC[C@]1(C)CCc2cc(O)ccc2O1 2356860101 UBTGRYXFAVSNTF-MUUNZHRXSA-N 408.626 8.232 0 1 HKAF O=C(NC1CCCC1)[C@H](c1ccccc1)n1c(-c2cccs2)nc2ccccc21 95571252 ACOLWRWSVMVYAU-QFIPXVFZSA-N 401.535 5.413 0 3 HKAF O=C(O[C@H]1CCC(=C2SCCCS2)[C@H]1C1SCCCS1)c1ccccc1 5824068 IKAVUAHDVXBPDC-DLBZAZTESA-N 424.678 5.900 0 1 HKAF CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1cc3c(cc1O)OC(C)(C)C=C3)O2 13411934 XPMCEWWRVJLSLM-NRFANRHFSA-N 422.477 5.203 0 1 HKAF biogenic COc1cccc(CN(CCCN2CCCCC2)c2cc(-c3ccccc3)no2)c1 13437422 NIFMHUZRWOEKJW-UHFFFAOYSA-N 405.542 5.233 0 1 HKAF Clc1cccc(CO[C@@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 13744487 XKXKWEGCLRZXPJ-KAYWLYCHSA-N 417.980 6.152 0 1 HKAF O=C1C[C@@](CC2CCCC2)(c2ccccc2)OC(=O)[C@@H]1SCCc1ccccc1 13766494 HVMPLIFPUAEMOK-NOZRDPDXSA-N 408.563 5.323 0 1 HKAF FC(F)(F)c1ccc(Nc2nnc(-c3cccnc3CCc3ccncc3)o2)cc1 14946591 ZYWSQVXTWKKPQW-UHFFFAOYSA-N 411.387 5.074 0 1 HKAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1O[C@@H]1C[C@H]2CC[C@@H]1C2 29413707 AOGQPQXZFOWMDY-XWCIJXRUSA-N 407.297 5.217 0 1 HKAF CN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)c1ccc(Cl)c(Cl)c1 35190730 XHLIOHMKNDRFMK-UHFFFAOYSA-N 422.743 5.769 0 1 HKAF Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@H]2COC(c2ccccc2)c2ccccc2)N3C)cc1 36270746 PZCLLOMRKKUTII-UNFRKHOWSA-N 411.589 6.368 0 1 HKAF O=C(S[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 39233079 MMQQWDIKBXHDQD-QGZVFWFLSA-N 411.741 6.158 0 1 HKAF COc1cccc(OC)c1-c1ccccc1NC(=O)N1CCCc2cc(C)ccc21 45202251 ISWRRLOLKFZTBQ-UHFFFAOYSA-N 402.494 5.664 0 1 HKAF CC(C)=CCC/C(C)=C/COc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O 64503430 PMIPLRXQIAGJRY-LFIBNONCSA-N 422.477 5.648 0 1 HKAF CC(=O)n1c2ccccc2c2cc(CN3CCC4(C=Cc5ccccc54)CC3)ccc21 73223362 IGTBOBONVJXWNU-UHFFFAOYSA-N 406.529 6.015 0 1 HKAF CCCCCNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(OCC)cc2)cs1 82195930 LUUBOOVGJCXNFI-SFHVURJKSA-N 421.632 5.049 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C 85530326 ZMXCDKMPGLKEQN-OAFYUPPCSA-N 414.718 8.025 0 1 HKAF C[C@H]1[C@H]2Cc3ccc4c(NCc5ccccc5)ncnc4c3[C@@]1(C)CCN2CC1CC1 101199917 BKLNRKUOWAHYHB-ZPBOBRSPSA-N 412.581 5.176 0 1 HKAF O=C(C1CC1)[C@@H](c1ccccc1F)N1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O 103264289 IIKYIVIKZANPRL-UWKDKTGGSA-N 415.873 5.236 0 1 HKAF Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4ccc[nH]4)c3)cc2)c1 116238251 NWPTXSZKCKXBNX-UHFFFAOYSA-N 402.429 5.961 0 1 HKAF COc1ccc2ccccc2c1[C@H]1CCCC(=O)N1Cc1cccc(-c2ncccn2)c1 167744426 DBZMXMUFUSPJQM-HSZRJFAPSA-N 423.516 5.559 0 1 HKAF COc1cccc(F)c1[C@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2ncc(C)s2)c1 167823156 TZBWABYKEXBHRA-IFXJQAMLSA-N 410.514 5.376 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3cccnc3)c2)cc(-c2ccc3occ(C)c3c2)n1 205832184 BWGOXOJPDKKZPZ-SFHVURJKSA-N 420.516 6.742 0 1 HKAF C[C@H]1CCCN1c1cccc(Nc2cc(-c3cccc(Cl)c3)nn3ccnc23)n1 207407657 YABLVULUVFKKSF-HNNXBMFYSA-N 404.905 5.177 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257562752 VETZNBAGZJYCQT-BHICKGMISA-N 414.674 7.102 0 1 HKAF endogenous,in-man Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(Br)ncc2[nH]1 587013945 DFDZFXVYLWOBPP-UHFFFAOYSA-N 405.708 5.473 0 1 HKAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587027158 QBDPTSMRHAMCED-UHFFFAOYSA-N 413.808 5.731 0 1 HKAF Cc1cc(Cl)cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 587027445 QXXLKMLTDGPQME-IPELMVKDSA-N 413.974 5.661 0 1 HKAF Fc1c(Br)cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1F 587050554 PBXGDRWJNFZDNG-UHFFFAOYSA-N 408.633 5.715 0 1 HKAF FC(F)(F)c1cccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c12 587061747 YATAWOSSGFCABQ-UHFFFAOYSA-N 423.825 7.117 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]3c1cccc(Br)c1 587102117 QWIKDSHFFNDAIL-GOSISDBHSA-N 412.286 5.897 0 1 HKAF CC(C)(C)c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 587117000 PFNFWLWYFIRJSN-UHFFFAOYSA-N 410.871 5.849 0 1 HKAF COC(=O)c1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1OC 587128333 JVXXEFJYWPDNEX-UHFFFAOYSA-N 415.421 5.086 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4c(S)nc(S)nc4[nH]3)c(Cl)c2)cc1F 587147584 VAEPXQBJRYLCCA-UHFFFAOYSA-N 402.907 5.365 0 1 HKAF COc1ccc(-c2ccc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c(F)c2)c(F)c1 587149917 WEDNBIOYLDJTAT-UHFFFAOYSA-N 406.219 5.886 0 1 HKAF CCOC(=O)COc1cc(OCC=C(C)C)ccc1-c1cc2c3c(cccc3n1)CC2 587211583 HQWBUOYPSPSSMG-UHFFFAOYSA-N 417.505 5.287 0 1 HKAF Oc1ccc(Nc2cccc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c2)cc1 587242870 WLDXAGTXIVVATB-UHFFFAOYSA-N 416.225 5.720 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C2CCCC2)[C@H]1c1ccc(F)cc1 587354127 MZYQLHMPNOCGED-AHWVRZQESA-N 402.465 5.976 0 1 HKAF COc1ccc([C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587355245 WXKDWAFYWUQOIW-ZCYQVOJMSA-N 404.437 5.204 0 1 HKAF COc1cccc(-c2cc(-c3ccc(OC)c(C)c3N)nc3c2oc2ccccc23)c1 587361835 ALMYXTNOKNNFJE-UHFFFAOYSA-N 410.473 6.223 0 1 HKAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c1ccc1ccccc41)[C@@H](C2)C3=O 587446820 GIQDVDXXAFLMSQ-DWACAAAGSA-N 418.448 5.084 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1ccc(F)c(F)c1)(c1ccccc1)CC2=O 587465184 BSVFYFREXFNOBF-VWLOTQADSA-N 408.444 5.726 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC)(c1cc(F)cc(Br)c1)CC2=O 587465785 GSLBPMLMWYJUBL-FQEVSTJZSA-N 407.279 5.517 0 1 HKAF COc1cc(Br)cc(OC)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587506965 ZNSWSASKRSAWNG-IBGZPJMESA-N 417.299 5.052 0 1 HKAF Cc1ccc(C)c(-c2nc3ccccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587514713 JGLCCNJRWPEZEK-DEOSSOPVSA-N 422.528 6.203 0 1 HKAF CCOC(=O)[C@@H](Cc1ccccc1C)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525096 PTHORRKVKBMZPO-GJZUVCINSA-N 406.522 5.020 0 1 HKAF C[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538438 DVMGHSIFKRZUKD-WIYYLYMNSA-N 411.251 5.032 0 1 HKAF COc1ccc(C(C)(C)C)cc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660646 QVYFPHRLDVDAKG-UHFFFAOYSA-N 402.469 5.498 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(F)(F)F)c2Cl)N1 587712861 RDGVXMBNNBCPKB-BCTVWOGZSA-N 422.647 5.884 0 1 HKAF CCn1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587753216 AIHPSZRWPKJNDA-ZSEKCTLFSA-N 401.323 5.361 0 1 HKAF CCC[C@H](CC1(c2nc3cccc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781252 GYZQQHOZQIJNTQ-LJQANCHMSA-N 424.972 6.578 0 1 HKAF Cc1nc2scc(C3CC3)n2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587858139 YDBTXNMMNNHSSV-VVVCHXIZSA-N 420.351 5.107 0 1 HKAF COc1ccc(-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)cc1 587923432 PSTUYUMWGAVKMT-UHFFFAOYSA-N 400.478 6.773 0 1 HKAF COc1ccc2c(c1OC)[C@@](CCc1cccc(Cl)c1)(C1CCC1)N(C)[C@H](C)C2 962626676 MYOPTUKDVNHBLV-CRICUBBOSA-N 413.989 5.862 0 1 HKAF COc1ccc2c(c1OC)[C@](C)(c1cccc(Oc3ccccc3)c1)N(C)[C@H](C)C2 962639679 QQVRBSCZQYQJDB-DWXRJYCRSA-N 403.522 5.636 0 1 HKAF Fc1ccc(COc2ccc([C@@H]3NCCc4cc(-c5ccccc5)ccc43)cc2)cc1 962660288 GZOZWFUHAXFOOB-NDEPHWFRSA-N 409.504 6.307 0 1 HKAF COc1cc(C(F)(F)F)cc(F)c1[C@H]1NCCc2cccc(-c3ccccc3)c21 962671329 UNSCZWBBZHCBPY-QFIPXVFZSA-N 401.403 5.755 0 1 HKAF Fc1ccc2[nH]cc(CCCCN3CCN(c4nsc5ccccc45)CC3)c2c1 1857543253 RSOKEJZNEYDAJD-UHFFFAOYSA-N 408.546 5.062 0 1 HKAF O=C(Cc1ccc(Oc2nc3ccccc3s2)cc1F)NCCc1ccc(F)cc1 1857585653 PQOJWVHLJYMILK-UHFFFAOYSA-N 424.472 5.268 0 1 HKAF COc1ccc(OC)c2c1C[C@H]1c3cc(Cc4ccc(C)cc4)sc3CCN1C2 1857643052 WRKURZZFIYSKCQ-QFIPXVFZSA-N 405.563 5.320 0 1 HKAF COc1ccc(Cl)c(-c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)c1 1857647284 JYSOKJDXHZJDIV-UHFFFAOYSA-N 405.803 6.287 0 1 HKAF CCc1nc2ccc(C)cc2n1CCCCNc1ccc(OCc2ccccc2)cc1 1857766941 ZOWAILQIOZMZFE-UHFFFAOYSA-N 413.565 6.378 0 1 HKAF O=[S@](Cc1ccccc1)c1ccccc1CSc1nc2ccc(Cl)cc2[n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c4ccccc4O[C@]2(C)CC[C@@H]13 2356564231 VYTRYBMUYJDNIN-OJHFQRGOSA-N 410.598 6.002 0 1 HKAF CC1=CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@@H]1C 2356610875 ATTZDMRZTNQQNJ-BQCAZHOKSA-N 424.713 7.945 0 1 HKAF COc1ccc(CN2C(=O)c3cccc4cccc(c34)[C@H]2c2nc3ccccc3[nH]2)cc1 95567569 IMUBPFCKDPLNJK-VWLOTQADSA-N 419.484 5.470 0 3 HKAF Cn1cccc1C(=O)N1CCC2(CC1)CCN(c1cccc(-c3ccccc3)c1)CC2 3956104 KNDKDQRQDKHBKV-UHFFFAOYSA-N 413.565 5.215 0 1 HKAF Cc1ccc(-c2ccc(C(=O)Nc3ccccc3C(=O)O)cc2Oc2ccccc2)cc1 13611200 BLHOGYDIPNYJHI-UHFFFAOYSA-N 423.468 6.405 0 1 HKAF COc1ccc([C@@H]2C(Cl)(Cl)[C@@]2(c2ccc(O)cc2)c2ccc(OC)cc2)cc1 13649378 BDHBUIDQXHCOFL-VXKWHMMOSA-N 415.316 5.667 0 1 HKAF Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(Cc2cccnc2)CC1 13738229 MZJXUYYNFBBLSG-UHFFFAOYSA-N 401.941 5.327 0 1 HKAF CCCC(CCC)Nc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12 13804979 DLZUOIIKMYLNAM-UHFFFAOYSA-N 406.361 6.096 0 1 HKAF O=C(/C=C/c1cccc(Sc2ccc(Cl)cc2Cl)c1)NCCCCCCO 13814772 REZGWMXLTPFSBI-DHZHZOJOSA-N 424.393 5.827 0 1 HKAF CC/C(=C(/Cc1ccc(OCN2CCCCC2)cc1)c1ccccc1)c1ccccc1 26023378 HCCOGOGGROKETA-ZQHSETAFSA-N 411.589 7.072 0 1 HKAF CCc1nc2c(C)cc(C)nc2n1Cc1ccc(Oc2ccccc2C(=O)O)cc1 26255244 OZBZTVSANMARLR-UHFFFAOYSA-N 401.466 5.149 0 1 HKAF COc1c(-c2csc3ccc(/C(C)=C/C(=O)O)cc23)cc(C(C)C)cc1C(C)C 26661695 PYCVGUGNBZAPOL-CXUHLZMHSA-N 408.563 7.312 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@](C)(C[C@@H](O)C3=CC(=O)O[C@H]3O)CCC[C@]12C 26961068 JSDANYFQRXTLHP-AEPDAZQWSA-N 406.607 5.224 0 1 HKAF O=C(O)CC/C=C\C[C@@H]1CO[C@@H](c2cccc3ccccc23)O[C@@H]1c1cccnc1 27723311 FGBMMJPOIOWZGC-ANADFCBVSA-N 403.478 5.449 0 1 HKAF CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2ccsc2)[C@H](c2ccccc2)O1 28376786 FNKMDCFLUDBVIP-SFTDATJTSA-N 408.523 5.429 0 1 HKAF O=C(/C=C/c1ccc(C(F)(F)F)cc1C(F)(F)F)Nc1ccc2c(c1)OCCO2 28863846 PRZATMJIEBCGKU-QHHAFSJGSA-N 417.305 5.147 0 1 HKAF COc1ccc2c(NCCc3ccccc3)cc(N(C)CCc3ccccc3)nc2c1 33988456 GSBOBKBWUSQYKT-UHFFFAOYSA-N 411.549 5.577 0 1 HKAF investigational CCCCCc1cc(OC(C)=O)c(C/C=C(\C)CCC=C(C)C)c(OC(C)=O)c1 40379056 CQXYYVMHDFTWJQ-XMHGGMMESA-N 400.559 6.505 0 1 HKAF Fc1cccc(CNC2=N[C@@H](c3ccccc3Cl)[C@H](c3ccccc3Cl)N2)c1 42964049 VNMRGOGENWEFMP-SFTDATJTSA-N 414.311 5.664 0 1 HKAF O[C@@H](CNc1ccnc(Nc2ccc(Cl)cc2)n1)c1ccc(C(F)(F)F)cc1 45228044 VQJYONHILCLULH-INIZCTEOSA-N 408.811 5.038 0 1 HKAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1nc2ccccc2n1C 58480514 HXFZPJGACGORFL-VQTJNVASSA-N 410.308 5.556 0 1 HKAF CCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1c(C)nn(-c2ccccc2)c1Cl 64437284 YQAUXLMJQRAUAJ-FQEVSTJZSA-N 406.917 5.230 0 1 HKAF c1ccc2c(c1)ccc[n+]2Cc1ccc2ccc(C[n+]3cccc4ccccc43)cc2c1 71294734 WPOFAFLYGQHUBW-UHFFFAOYSA-N 412.536 5.818 0 1 HKAF C/C(=C\CC/C=C(\C)CC/C=C(\C)CCCC(C)C)CC/C=C(\C)CCCC(C)C 79202204 COCRTLOZHDPILP-AAJYLUCBSA-N 414.762 10.765 0 1 HKAF Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 95563606 FRWHMBLUCGXEQQ-FYYLOGMGSA-N 416.500 5.052 0 1 HKAF O=C(NC(=O)c1c(Cl)cccc1Cl)OCc1ccc(-c2cccc(Cl)c2)o1 103209052 PLGLIBNKZOLHDH-UHFFFAOYSA-N 424.667 5.973 0 1 HKAF O=C(/C=C/c1cccc(Nc2ccnc3cc(Cl)ccc23)c1)c1ccc(Cl)cc1 168652509 KMDJTHSSASRYFL-NYYWCZLTSA-N 419.311 7.181 0 1 HKAF COc1c2c(cc3occ(-c4ccc(O/C=C/C(C)C)cc4)c(=O)c13)OC(C)(C)C=C2 238771697 HPZPFWXCCAZKRE-ACCUITESSA-N 418.489 6.201 0 1 HKAF C[C@@H]1CCC([C@H](C)[C@H]2CC[C@@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)=NC1 299812582 QAGPPGDCPAPQLW-HQNINKQKSA-N 413.646 5.692 0 1 HKAF Cc1ccc(-c2cnc(C3(NCc4ccc(-c5ccccc5)cc4)CCCC3)[nH]2)cc1 473093996 URLKHZPSVKVUOF-UHFFFAOYSA-N 407.561 6.611 0 1 HKAF Cc1cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)ccc1-c1ccc(C(=O)O)cc1 586878285 BRUGNZZAEOTVBG-UHFFFAOYSA-N 408.360 5.225 0 1 HKAF FC(F)(F)c1cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2cc1Br 586883605 COVZTNVTAVOXJJ-ACJLOTCBSA-N 407.233 5.716 0 1 HKAF COC(=O)c1cc(Br)c2nc(-c3ccc(-c4ccc(C)o4)cc3)[nH]c2c1 586902173 BVZFBGWKUBNJDY-UHFFFAOYSA-N 411.255 5.347 0 1 HKAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1 586915352 DCROSRWDHDGMPB-NLFFAJNJSA-N 414.530 5.931 0 1 HKAF CCOc1cc(/C=C/c2nc3cnc4ccccc4c3[nH]2)cc(Br)c1OC 586978351 PIUNIYWXHSDAFG-CMDGGOBGSA-N 424.298 5.451 0 1 HKAF Cc1ncc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c(C)c1Br 586979188 SEYKKKNKZAJAMA-UHFFFAOYSA-N 402.239 5.616 0 1 HKAF CC(C)Cc1c(-c2ccc(Cl)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586986741 SYNUEABOJPGECT-UHFFFAOYSA-N 413.904 6.671 0 1 HKAF Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587028151 LGFCOVQHQLXQAC-UHFFFAOYSA-N 413.531 6.267 0 1 HKAF FC(F)(F)Oc1cc(Br)cc2nc(-c3csc4c3CCOC4)[nH]c12 587031069 AEGFZJWQQQCSHA-UHFFFAOYSA-N 419.222 5.025 0 1 HKAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2C1 587032444 WCWLOCNGADUGHR-UHFFFAOYSA-N 423.460 5.603 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@@H]4SCCc5sccc54)[nH]c3c2)cc1 587036842 NWLRNSIQXSORCA-HXUWFJFHSA-N 422.531 5.582 0 1 HKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(Br)c(F)cc2[nH]1 587044500 GFWACUWOQRCIPL-UHFFFAOYSA-N 420.065 5.456 0 1 HKAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c(C)ccc(C)c3[nH]2)c1 587050691 ZVABFJDTTKNZJT-KHPPLWFESA-N 410.905 5.224 0 1 HKAF Cc1cc(-c2nc3c(Cl)cccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587059377 QRHZYYDBGCUMOO-UHFFFAOYSA-N 422.319 5.947 0 1 HKAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(Oc3ccccc3)cc2[nH]1 587064798 GPNLGYDUPMCHAK-UHFFFAOYSA-N 408.841 5.409 0 1 HKAF COc1cc(Cl)ccc1-c1nc2c(Br)ccc(Br)c2[nH]1 587066954 WQQUXLWPWBUANK-UHFFFAOYSA-N 416.500 5.417 0 1 HKAF CSc1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1 587068186 KROYCAMGKZLFFL-UHFFFAOYSA-N 406.898 6.051 0 1 HKAF CCCCOc1cc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2cc1Br 587088887 UJTNUAOBGCYIOK-NSHDSACASA-N 414.294 5.254 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H]1CN(Cc2ccccc2)C[C@@H]1CC3 587106016 KBRCBVKGQDYUPI-CYFREDJKSA-N 416.524 5.608 0 1 HKAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587163690 RALDVTOPGGMXHE-UHFFFAOYSA-N 418.777 6.272 0 1 HKAF Cc1c(Br)cnc2[nH]c(/C(=C\c3ccc(F)cc3)c3cccs3)nc12 587164622 UDEUMGXYCKJPJZ-ZROIWOOFSA-N 414.303 5.818 0 1 HKAF Cc1cc2c(cc1C)[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587360291 USHHIAFCWWQTCT-NOZRDPDXSA-N 404.437 5.185 0 1 HKAF COc1ccc(Cc2c(C)nc3c(oc4ccccc43)c2-c2cccc(OC)c2)cc1 587364180 YTOZWXWOPUWPGM-UHFFFAOYSA-N 409.485 6.564 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-c1ccc(Cl)c(C(=O)O)c1)O2 587372698 AENXJHIODHEQKW-OAQYLSRUSA-N 407.853 5.302 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3ccc(F)cc3Cl)o1)O2 587384227 BZBSBCGBZNYDIY-FQEVSTJZSA-N 401.821 5.248 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3ccc4ccccc4c3)cc1)O2 587397770 BAVQDGSVFMZUIX-AREMUKBSSA-N 409.485 6.016 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)cc(CN3CCC[C@H](C)C3)c1C)CC2=O 587475454 MDHNSWIRKQUGCQ-MRDQGFSESA-N 421.581 5.900 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCCc1ccccc1)CC2=O 587482418 NWBGQMRVPQXSRH-VWLOTQADSA-N 402.490 5.673 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)([C@H](O)c1ccc(C)cc1)CC2=O 587490879 SNUKBLSNXYANLZ-KAYWLYCHSA-N 416.517 5.556 0 1 HKAF CC(C)C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587509288 RKTWYAPESMGGGM-HSZRJFAPSA-N 402.456 6.491 0 1 HKAF O=C1C[C@]2(CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)Oc2c1ccc1c2CCCC1 587518465 IRSRPWVRMVYACP-UMTXDNHDSA-N 401.550 5.202 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(O)c(Cl)c1 587541510 FIJMTBDIMUALBC-UZLBHIALSA-N 403.217 5.108 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1ccco1 587545022 FZXIKZQUFTUOHN-XUZZJYLKSA-N 418.832 5.544 0 1 HKAF C[C@]1(c2c[nH]c3cc(Cl)ccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554286 WWNTUYRZIMLGPK-NFBKMPQASA-N 405.837 5.404 0 1 HKAF C[C@@]1(Cc2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602326 JDWIHSCGYHYMIE-LSYYVWMOSA-N 422.480 6.022 0 1 HKAF CCOC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccc(Cl)cc1Cl 587623478 IFESWHUZLUIZPI-UHFFFAOYSA-N 410.684 5.844 0 1 HKAF Cc1cc(Cl)cc2c(-c3ccc(Cl)cc3Cl)c(-c3ccc(F)cc3)[nH]c12 587624810 STGMJFDCKGRWMF-UHFFFAOYSA-N 404.699 7.910 0 1 HKAF Cc1ccc2nc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)sc2c1 587657225 ROFQLUMVFYROLV-UHFFFAOYSA-N 405.429 5.249 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2ccc(Br)cc2)N1 587686230 ZWMODUALFOHJEK-ZUZCIYMTSA-N 413.128 5.169 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2c(F)cccc2Cl)N1 587722157 RIJYDGXUGNAZLC-VPRXMMIXSA-N 412.705 5.844 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2Br)N1 587723368 XHYUYBMLOXACAY-BCTVWOGZSA-N 417.091 5.113 0 1 HKAF CC[C@H](C)Oc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587791711 KNRWTNPHWKMKCL-BYVOGVQKSA-N 422.338 5.398 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2)(C2CC2)N1 587815524 NIINRMHCUHGOCC-ZSEKCTLFSA-N 402.307 5.001 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(/C=C/c3ccccc3)cc2)N1 587821227 TZNKOTFDSUEGQT-KLFVWKSQSA-N 422.341 6.382 0 1 HKAF CC(C)[C@]1(c2ccc(Cl)s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587848316 NRABDDRSEGHZGU-BTDLBPIBSA-N 402.760 5.737 0 1 HKAF c1ccc(COc2ccc3nc(Cc4ccccc4Oc4ccccc4)[nH]c3c2)cc1 587951031 VGWJUTNXOXFCNC-UHFFFAOYSA-N 406.485 6.525 0 1 HKAF Fc1ccc2[nH]c(-c3cccc(N4C[C@@H]5CN(Cc6ccccc6)C[C@@H]5C4)c3)cc2c1 618017163 HHQLULDIWJULNZ-ZRZAMGCNSA-N 411.524 5.542 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3ccccc3)c2)cc(-c2ccc3ncsc3c2)n1 653760608 GKWLXXGZQXQBRT-KRWDZBQOSA-N 422.557 6.902 0 1 HKAF CCC(C)(C)[C@@]1(c2ccc(C)cc2C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962951285 FVDYBRLZCDMCHZ-JPYJTQIMSA-N 421.915 5.514 0 1 HKAF COc1cccc2cc3c(nc12)[C@@H](c1cc(F)c(Br)cc1Cl)NCC3 963065925 KBQACIDMCMDMGT-LJQANCHMSA-N 421.697 5.034 0 1 HKAF Cc1ccc([C@H]2CC(c3ccc(OCC4=NCCO4)cc3)=NN2c2ccccc2)cc1 1772655797 IWYZERFXPCTRGM-RUZDIDTESA-N 411.505 5.158 0 1 HKAF O=C(N[C@H](c1ncccc1C(F)(F)F)C1CCCCC1)c1ccc2cccnc2c1 1857651765 DOEXTLXGOPNKQP-FQEVSTJZSA-N 413.443 5.700 0 1 HKAF COC(=O)C=CC(C)=CC(C)=C[C@@H]1C(C[C@H](C)O)=C(C)C=C2C[C@H](C)C(=O)[C@H](C)[C@@H]21 2356334256 CJDQRZHRJWJAGG-AGEWABQYSA-N 412.570 5.113 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CCC1=CC(=O)O[C@@H]1OC(=O)OC(C)(C)C 2356337050 UJVJNBBSPRJHGY-KFXGQFCLSA-N 418.574 6.326 0 1 HKAF CC1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@]3(C)C(C)(C)CCC[C@@]43C)[C@H]2[C@H]1C 2356518847 DZINXMCMPUDAJI-BWJYIGMDSA-N 424.757 9.444 0 1 HKAF C[C@H](CO)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356651155 DBSJYKLREKUIIH-OLGYUSHWSA-N 420.678 5.412 0 1 HKAF CC(C)CCC[C@@](C)(O)[C@@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356675336 RJXRRUHNMZQRFL-XNIIQLEVSA-N 416.646 5.971 0 1 HKAF CC(=O)OC[C@H](C)[C@H]1CC[C@@]2(C)O[C@H]1C=C(C)CCC=C(C)CC[C@H]2OC(C)=O 2356794534 HZKSNOGDILDBEM-GPDNFFQDSA-N 406.563 5.138 0 1 HKAF O[C@H](Cc1ccccc1Br)c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 61906814 PEDOVPNRWMQYJV-MRXNPFEDSA-N 411.221 5.134 0 3 HKAF COc1cc(O)c(-c2c(C)cc(OC)c3c(OC)cccc23)c2c1[C@@H](C)N(C)[C@H](C)C2 1635104 DJKKAJMAHBJDCM-HZPDHXFCSA-N 421.537 5.484 0 1 HKAF biogenic,in-vitro C[C@@H](COc1ccccc1)OC(=S)N(C(=O)Oc1ccccc1)c1ccccc1 3648382 UFDCXAQJBAIQSN-SFHVURJKSA-N 407.491 5.461 0 1 HKAF Cc1c(C)c(C(=O)O)c(C)c([C@H](CCCCCC(=O)O)c2ccc(F)cc2)c1O 13456401 RARXLDWYEXPZPM-GOSISDBHSA-N 402.462 5.322 0 1 HKAF CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(Cl)cc2)cc1 13557948 SHZWMIXUDYCHMX-UHFFFAOYSA-N 406.913 6.142 0 1 HKAF CCCCCCn1c2c(ccc1=O)[C@H](NCCc1ccc(Cl)c(Cl)c1)CCC2 13743281 VEKMGIAEUKTPKQ-OAQYLSRUSA-N 421.412 5.945 0 1 HKAF Cc1ccc(C)c(CO[C@@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 13744514 GETCFTYJLDUJTR-FQLXRVMXSA-N 411.589 6.115 0 1 HKAF COc1cc(OCC=C(C)C)c(CC=C(C)C)c2c1C(=O)C[C@H](c1ccccc1)O2 15115089 KSYDDINMVMFLLB-JOCHJYFZSA-N 406.522 6.255 0 1 HKAF biogenic COC(=O)C(C)(C)CCCOc1cc(C)c(OCCCC(C)(C)C(=O)OC)cc1C 25977992 QCZITRDPGDRYTP-UHFFFAOYSA-N 422.562 5.020 0 1 HKAF c1ccc(CCCN2CCC(Nc3nc4ccccc4n3Cc3ccccc3)CC2)cc1 29556052 VIPHILWKKKRGFC-UHFFFAOYSA-N 424.592 5.594 0 1 HKAF Cc1cc(NC(=O)c2cccs2)ccc1O[C@@H]1CCN(Cc2ccc(F)cc2)C1 45189075 DWZHBZATRKNQPA-HXUWFJFHSA-N 410.514 5.101 0 1 HKAF CCCCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC 45388409 DFYLUEWHTLNPPA-UHFFFAOYSA-N 403.885 6.134 0 1 HKAF Cc1cc(C)c(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(C)c1 66156327 LJTBNVYDZMFJCS-UHFFFAOYSA-N 406.580 5.667 0 1 HKAF CC[C@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCc3ccc(C)cc3)ncnc21 82179092 LWTQIKKMNAQNNH-KRWDZBQOSA-N 415.541 5.469 0 1 HKAF O=C(Nc1ccc(Cl)cc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 84669807 TYXNDEBTEIAMBT-UHFFFAOYSA-N 408.288 6.098 0 1 HKAF Clc1cccc(Nc2ncnc3ccc(NCc4ccc5c(c4)OCO5)cc23)c1 84688516 CVXGWPCZIJNFAQ-UHFFFAOYSA-N 404.857 5.368 0 1 HKAF Cc1ccccc1-c1csc(Nc2ccc(CCN3CCCC[C@@H]3CO)cc2)n1 96274011 ZEBIGVRZJLFCLG-OAQYLSRUSA-N 407.583 5.251 0 1 HKAF CN(C)c1cc[n+](Cc2ccc(-c3ccc(CNc4cccc(O)c4)cc3)cc2)cc1 96938865 BHKCPTUGTLZCQK-UHFFFAOYSA-O 410.541 5.073 0 1 HKAF O=c1[nH]cnc2nc(-c3ccccc3)cc(-c3c(-c4ccccc4)[nH]c4ccccc34)c12 103199423 OAGIPXWSYCKYJM-UHFFFAOYSA-N 414.468 5.800 0 1 HKAF COC(=O)c1ccc2c(c1)N(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)CO2 103299737 HHRBGWYAIFUDKZ-GNUCVDFRSA-N 411.542 5.618 0 1 HKAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4O)no2)cc1C(F)(F)F 116109942 CBMNBDKCPFSFOE-KRWDZBQOSA-N 404.388 5.189 0 1 HKAF O=C(O)C[C@H]1CCc2cc(-c3ccc(NC(=O)Nc4ccccc4)cc3)ccc2C1 150226352 CXHMUZQQGKFASI-KRWDZBQOSA-N 400.478 5.577 0 1 HKAF CCOc1cccc(F)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1csc(-c2ccc(C)cc2)n1 167744908 DOOLJNLUINHQJO-UZLBHIALSA-N 424.541 5.766 0 1 HKAF CCOc1cccc(F)c1[C@H]1C[C@H](C)C(=O)N1Cc1ccc2oc3ccccc3c2c1 215902969 XJZTXMOXMDLNSA-HRAATJIYSA-N 417.480 6.234 0 1 HKAF COc1ccc(Cc2cccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)c2)cc1 216051565 UGUNKFGHNDZPTC-UHFFFAOYSA-N 418.924 5.393 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 255259979 PUGBZUWUTZUUCP-VEDCHGIUSA-N 400.691 7.635 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@H]1CC3 255284594 YKDJEAIZFMBVFZ-VOUMGILESA-N 412.702 7.945 0 1 HKAF C[C@H]1CC[C@H](Cn2cnc(=O)c3cc(Oc4ncccc4C(F)(F)F)ccc32)CC1 299845104 MERYOEUNXPVFHX-SHTZXODSSA-N 417.431 5.429 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](OC(=O)/C=C/c3ccc(O)cc3)CCC[C@@]21C 299862989 OGKDFTRVCATHCA-LCCVCRKISA-N 412.614 6.996 0 1 HKAF C[C@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1)c1ccc(F)cc1 299883854 SCENWXDAMFQKAL-DRWCTHJISA-N 412.848 5.041 0 1 HKAF O=C(Nc1ccccc1)Nc1nc(-c2cc3cc(Br)ccc3o2)cs1 473088624 PBZSWVCFHVRQPM-UHFFFAOYSA-N 414.284 5.963 0 1 HKAF Cc1ccc(-n2ccnc2SCc2nc3cc(C(F)(F)F)cnc3[nH]2)c(C)c1 586967105 WMAFVRXZGRJIJV-UHFFFAOYSA-N 403.433 5.072 0 1 HKAF COc1cc2[nH]c(-c3cccn3-c3ccc(Br)cc3C)nc2cc1F 586981584 QVOWEKLTNDDYNC-UHFFFAOYSA-N 400.251 5.239 0 1 HKAF Cc1c(-c2ccc(Br)s2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586993309 FQTDJEWUNZSCAL-UHFFFAOYSA-N 422.303 5.951 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@@H](F)C[C@@H](OCc1ccccc1)C4)-c1ccccc1C2=O 586995940 NSWFFEDMGZURQB-MBSDFSHPSA-N 423.487 6.297 0 1 HKAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc(Br)cc(Cl)c2[nH]1 587010751 AOHVRILPXSPION-UHFFFAOYSA-N 418.747 6.002 0 1 HKAF Clc1ccc(-c2nc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)cs2)cc1 587016078 OVYNPTQLVVPQFL-UHFFFAOYSA-N 417.921 6.586 0 1 HKAF COc1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc(Cl)c1O 587045706 CWJICUGPGVWWAA-UHFFFAOYSA-N 421.600 5.379 0 1 HKAF COc1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc(Cl)c1O 587046160 LLJKLNNLNALYBJ-UHFFFAOYSA-N 421.600 5.379 0 1 HKAF COC(=O)c1ccc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2n1 587072021 ORFVQLOIFPJZOB-YZJMHRKOSA-N 416.308 5.417 0 1 HKAF COC(=O)c1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cn1 587073198 GNRUGYMUEAHMBC-AQTBWJFISA-N 417.896 5.571 0 1 HKAF FC(F)(F)Sc1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 587075019 BMKVJXRSTCNSQX-UHFFFAOYSA-N 424.835 5.663 0 1 HKAF Clc1ccc2ccn(Cc3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c2c1 587081229 YFBQCWFYIKSJAE-UHFFFAOYSA-N 414.921 6.496 0 1 HKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587111872 BNBZUPMITMLWGG-OAHLLOKOSA-N 408.423 6.159 0 1 HKAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587120213 CNIFOPNUGVNMEK-UHFFFAOYSA-N 412.293 5.783 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587124765 LVHRLJHBBXIDJJ-MDWZMJQESA-N 424.447 6.576 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4c(C)c(Br)cnc4[nH]3)ccc2F)cc1 587139730 RZKXYMGVABYLRK-UHFFFAOYSA-N 424.273 5.705 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc5ccccc5cc4[nH]3)cc2F)c1 587143759 KOZQGQYUYAQGBV-UHFFFAOYSA-N 412.420 5.896 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c(Cl)c2)cc1F 587145814 SBRQZODAGUUGIN-UHFFFAOYSA-N 420.850 6.323 0 1 HKAF Cc1cc(Br)cc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c12 587200977 CSIMACQFTCOTNV-UHFFFAOYSA-N 410.356 5.215 0 1 HKAF CCOC(=O)CNc1ccc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)cc1 587225782 UDSFNSZCHVWMJI-UHFFFAOYSA-N 403.507 5.356 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 587355883 XGJADAVXYHJPHV-LUPFDQBXSA-N 402.465 5.987 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3ccccc3)nc1-c1ccccc1)O2 587389877 DHEWSHMLRVVXOZ-XMMPIXPASA-N 409.489 5.196 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(C(F)(F)F)cc1C(F)(F)F)[C@@H](C2)C3=O 587420103 IEUVFGJBBZVUKK-KBXCAEBGSA-N 416.317 5.396 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC3CCCC3)c(OCC)c1)CC2=O 587477717 IKPKJEMEESTZPZ-QHCPKHFHSA-N 410.510 5.771 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)nc(-c3ccccc3)nc1S)CC2=O 587491119 ISSGDBOQLISLGN-DEOSSOPVSA-N 420.534 5.279 0 1 HKAF Cc1cc(CN2CCCC[C@H]2C)c(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587517676 RYIHOJNCACJKNM-WINIVTDRSA-N 417.593 6.263 0 1 HKAF CCOC(=O)[C@H](Cc1cccc(C)c1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525656 QSLSHQBSOIGMQU-NVQXNPDNSA-N 406.522 5.020 0 1 HKAF COc1ccc(Oc2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1 587535074 IAWMCGRZDZLORV-HXUWFJFHSA-N 407.491 5.529 0 1 HKAF Cc1nc(COc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cs1 587536628 YBKCRVTXWULVGX-QHCPKHFHSA-N 405.519 5.616 0 1 HKAF CCCCn1nc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl 587551133 DPSXNKUHVZKDKI-NQIIRXRSSA-N 412.873 5.054 0 1 HKAF CC(C)n1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccccc21 587580045 WUWAGYLWZVYXKM-REWPJTCUSA-N 400.434 5.026 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccccc2)cc1 587602488 YDWKJKWHCJALHL-JYFHCDHNSA-N 410.425 5.887 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(C2CCCCC2)s1 587612291 LVOBBOVWDKJMFA-DENIHFKCSA-N 407.491 5.599 0 1 HKAF Oc1ccc(Br)cc1-c1[nH]c2ccc(F)c(Cl)c2c1-c1ccccc1 587629069 ZAKSPQJBVQKGMZ-UHFFFAOYSA-N 416.677 6.763 0 1 HKAF CCc1ccc(O)c(C(=O)c2c(-c3ccc(Cl)cc3)[nH]c3c(C(=O)O)cccc23)c1 587638765 PNMTXJGDLKYZJJ-UHFFFAOYSA-N 419.864 5.686 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(Br)c3)c([C@H](C)C(=O)O)c2c1 587639525 YUXJMXPSGVIBJH-OLZOCXBDSA-N 400.316 6.299 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC(F)F)cc3)c(C(=O)C(F)(F)F)c2c1 587639789 CREIPYLWYRVDJA-LLVKDONJSA-N 411.370 6.695 0 1 HKAF Cc1cccc(Br)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587676357 GTSMPNYHGDBOQK-QGHHPUGFSA-N 413.128 5.283 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3cccn3)cc2Cl)N1 587693891 KJWUWVFWFHKQET-JEOXALJRSA-N 420.713 5.051 0 1 HKAF Cc1cc2c(cc1Cl)[C@]1(C=CO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587693974 FSCUAWNLXDPBFH-NSPYISDASA-N 408.698 5.234 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2ccc(Cl)cc2)N1 587704071 RRKSRVOTQXWXQI-WYRIXSBYSA-N 410.714 5.264 0 1 HKAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)c1 587712784 QNXIDJFIXOXGIW-HUTHGQBESA-N 418.228 5.239 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(F)c(Cl)c2)N1 587721445 VTJMXWFYMCKFML-QZTNRIJFSA-N 407.085 5.658 0 1 HKAF CC(C)[C@]1(c2ccc(OCCF)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587722462 YWKJMQVEPJUGMV-LHSJRXKWSA-N 424.329 5.370 0 1 HKAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC(C)C 587792743 MIBDCUTUTAEPBZ-ODXCJYRJSA-N 408.311 5.008 0 1 HKAF CC(C)Oc1ccc(CC[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587792787 MTUKZHVGWFMYSL-KUHUBIRLSA-N 406.339 5.584 0 1 HKAF CC[C@H](C)c1ccc(OC)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587807324 MUZVRKFTBCWCNC-QRQYBIJMSA-N 406.339 5.734 0 1 HKAF Cc1ccc(C[C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587813511 OEOKZZBLQUQSOZ-MZNJEOGPSA-N 424.357 5.917 0 1 HKAF Cc1ccccc1-c1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587853029 KKACMBDRWQPSFP-BLVKFPJESA-N 417.347 5.644 0 1 HKAF Cc1ccc(-c2nc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cs2)cc1 587853181 PKJDNXBFENMFNZ-BUXKBTBVSA-N 417.347 5.644 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sc(-c2ccccc2)cc1N 587873173 VMBITNZJBIBTRY-UHFFFAOYSA-N 407.470 5.087 0 1 HKAF CC[C@H](C)[C@@]1(c2ccccc2OC)NC2(CC2)Cc2ccc(Br)cc21 961613760 HSSVPMQPBMXMMG-NYHFZMIOSA-N 400.360 5.426 0 1 HKAF COc1ccc2c(c1)c([C@H]1c3cc(OC)c(OC)cc3C[C@@H](C)N1C)cn2C(C)C 962625030 MBLKWIRFCJKVLT-PUAOIOHZSA-N 408.542 5.214 0 1 HKAF Cc1ccc(C)c(-n2ncc([C@@]3(C)NCCc4cc(-c5ccccc5)ccc43)c2C)c1 962659108 DSRIUEZRDOXEHB-NDEPHWFRSA-N 407.561 5.874 0 1 HKAF CC[C@]1(c2ccc(Cl)nc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962958559 QEOVDXCNXREXKB-HXUWFJFHSA-N 410.867 5.059 0 1 HKAF Cc1ccc([C@@]2(c3ccc(CN4CCC4)cc3)NCCc3c2sc(C)c3C)cc1 963018056 DMETZDHXLMDLFN-SANMLTNESA-N 402.607 5.317 0 1 HKAF CC(C)c1ccc([C@@]2(CC(C)(C)C(=O)O)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963092102 AGQZAFRQAJBCED-LVXARBLLSA-N 409.545 5.714 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCC1OCCCO1)c1ccccc1OCC 963222741 CKLJXZOYTHDPRS-KDYSTLNUSA-N 423.597 5.529 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCc1cccc(F)c1)c1ccc(F)cc1F 963233791 DGMCWOGLQJKKCJ-UZTOHYMASA-N 423.522 6.637 0 1 HKAF COc1cc(/C=C/c2ccc(OC(=O)/C=C/c3ccc(F)cc3)cc2)cc(OC)c1 1772647872 ZJWYIYRSZSIDMX-LDKZCNOQSA-N 404.437 5.632 0 1 HKAF Cc1c(C)c2ccc(OC[C@H]3CCCN(Cc4ccc(Cl)cc4)C3)cc2oc1=O 1857548035 KXMJQJOYAYCUTN-IBGZPJMESA-N 411.929 5.354 0 1 HKAF O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccc(Cl)c(F)c1 1857557621 KNAQJZDQLPBHBZ-UHFFFAOYSA-N 401.224 6.193 0 1 HKAF COc1cccc(CC(=O)Nc2cncc(-c3cc(-c4cccnc4)cs3)c2)c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c2c(C)c(O)c(C)c(C)c2O1)CCC=C(C)CCC(=O)O 2356645289 LAVCYAUSHCEKED-AREMUKBSSA-N 414.586 6.719 0 1 HKAF O=c1c(-c2ccco2)nc2ccccc2n1[C@@H](c1ccccc1)c1nc2ccccc2[nH]1 95567632 QSZPNIGPXGQTSF-DEOSSOPVSA-N 418.456 5.171 0 3 HKAF CCN1c2ncc(CCc3ccccc3)cc2C(=O)N(C)c2ccc(-c3ccc[nH]3)nc21 5841452 SCSCSULICXWXAV-UHFFFAOYSA-N 423.520 5.005 0 1 HKAF CCCCCn1cc(C(=O)N[C@@H](C)c2cccc3ccccc23)c(=O)c2ccccc21 13678343 IGHQDVQIAGRFQM-IBGZPJMESA-N 412.533 5.836 0 1 HKAF COc1cc(OC)c2c(c1CC=C(C)C)C[C@@H]1[C@H](C2)c2ccc(O)cc2OC1(C)C 15273921 VDNFSSVVXBUKRX-IFMALSPDSA-N 408.538 5.588 0 1 HKAF endogenous,in-man CCOc1c(-c2csc3cnc(/C(C)=C/C(=O)O)cc23)cc(C(C)C)cc1C(C)C 26661700 RYSUOBUKIXRFCK-LZYBPNLTSA-N 423.578 7.097 0 1 HKAF CCc1cccc(N(C)C(=N)Nc2cc(CC)cc(SC)c2Br)c1 27429668 WKYZDZBAVZPRDM-UHFFFAOYSA-N 406.393 5.779 0 1 HKAF CN(C)CC[C@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1 28654025 IMWWZKMBTJIMCE-QFIPXVFZSA-N 414.471 5.210 0 1 HKAF Cc1cc2c(cc1-c1ncc(-c3ccc(C(=O)O)cc3)s1)C(C)(C)CCC2(C)C 28760483 JTKODMXEKWGWCL-UHFFFAOYSA-N 405.563 6.833 0 1 HKAF CN(C(=O)C(F)(F)F)[C@H]1CCCN2c3cc(Cl)ccc3Oc3ccccc3[C@H]12 29037457 FWZOQLQKXSHTIN-KBXCAEBGSA-N 410.823 5.177 0 1 HKAF CC(C)=CCc1c(O)ccc(-c2cc3ccc(O)c(CC=C(C)C)c3oc2=O)c1O 33835364 UAGJZOLUSRCDEP-UHFFFAOYSA-N 406.478 5.594 0 1 HKAF endogenous,in-man CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1cccc(Cl)c1 36294611 UVJANPIKZUBGAE-UHFFFAOYSA-N 401.937 7.383 0 1 HKAF in-vivo Cc1ccc(-c2c(C)noc2[C@H]2[C@@H](c3ccc(Cl)cc3)C[C@@H]3CC[C@H]2N3C)cc1 40895777 JRAFMQOJLVTPIG-NXYDZRKXSA-N 406.957 6.346 0 1 HKAF CCCC[C@H](Sc1ccc(OCCCOc2ccccc2OC)cc1)C(=O)O 43078134 ITSGBPFMQAYNSO-NRFANRHFSA-N 404.528 5.279 0 1 HKAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2c2cc(Cc4ccc(Cl)cc4)no2)N3C)cc1 45483967 IFMIAYDNKIHTBR-AHCIIZGASA-N 406.957 5.961 0 1 HKAF Brc1ccc([C@]2(Cc3ccccc3)c3cccnc3-c3nccn32)cc1 72110362 GUBSWFZQCIYNGR-JOCHJYFZSA-N 402.295 5.056 0 1 HKAF c1ccc2c(NCCCCCCCCCN3CCOCC3)c3c(nc2c1)CCCC3 72113697 PWPZNYJSIAPFAS-UHFFFAOYSA-N 409.618 5.588 0 1 HKAF O=C1c2ccccc2-c2c1c1c(O)cc(-c3ccccc3)cc1n2Cc1ccccc1 73310767 ZHKYKDNBGDQVAW-UHFFFAOYSA-N 401.465 6.274 0 1 HKAF O=C(c1cnc(NCc2cccc(Cl)c2)nc1-c1ccccc1F)N1CCCCC1 82152000 VQNKCGYKRNRUHM-UHFFFAOYSA-N 424.907 5.174 0 1 HKAF COc1ccccc1CCNc1ncc(-c2ncc(C)o2)c(-c2ccccc2C)n1 82177705 IXNIYMLQHQRERY-UHFFFAOYSA-N 400.482 5.079 0 1 HKAF CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2cccc(OC)c2)cs1 82193591 KNYRANJYASVLKF-UTKZUKDTSA-N 415.603 5.120 0 1 HKAF O=C(c1cccc2ccccc12)N1Cc2ccccc2C[C@H]1COc1ccc(F)cc1 84669131 PKMSJCCDDBLXME-QHCPKHFHSA-N 411.476 5.625 0 1 HKAF CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1N1CCOCC1 95601385 JVLKBXBHWFAAHE-UHFFFAOYSA-N 424.976 5.310 0 1 HKAF Cc1ccc([C@@H]2N=C(N3N=C(c4ccccc4)C[C@@H]3c3c(F)cccc3F)S2)cc1 98082627 ZTICLBINCVAKSL-FYYLOGMGSA-N 419.500 6.226 0 1 HKAF CCSc1nnc(/C=C/c2cc(OC)ccc2OC)n1-c1ccc(Cl)cc1 103191794 RMYLBLJBCAZFRT-LFYBBSHMSA-N 401.919 5.220 0 1 HKAF Cc1nc([C@H]2CCOC2)n2c1sc1cc(OCc3ccc4ccccc4n3)ccc12 103244737 MUIMFGAVSXVUQB-KRWDZBQOSA-N 415.518 5.489 0 1 HKAF COC(=O)c1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCCC2)cc1 103993318 NBBWGQNETUOWLE-JOCHJYFZSA-N 423.509 5.157 0 1 HKAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)NC(=O)Nc1ccc(F)cc1 141956322 MUHXMKVQUHABKX-LGPLSSKUSA-N 408.561 6.534 0 1 HKAF C[C@H]1CN(CCCc2ccccc2)[C@@H]2C[C@H](NCC3CC3)C[C@@]1(c1cccc(O)c1)C2 169335096 IIUGSDSXFCBDCZ-RSPDEVONSA-N 418.625 5.135 0 1 HKAF O=c1sc2ccc(Cl)cc2n1CN1CCC[C@@H]1c1cccc(Br)c1 169341773 MSBRLJAKHDPBQP-OAHLLOKOSA-N 423.763 5.274 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 257785071 ZNGXDHQRMXNICE-KVMGCTBASA-N 402.707 7.859 0 1 HKAF endogenous,in-man CCCCCOc1cc2nc(-c3c(C)ccc4ccccc34)[nH]c2cc1Br 586882883 CHXUPNOTPAPYCU-UHFFFAOYSA-N 423.354 7.023 0 1 HKAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(Cl)cc4[nH]3)c(=O)oc2c1C 586917614 HLNBHAPELJOHSL-UHFFFAOYSA-N 422.912 5.875 0 1 HKAF Clc1cc(Br)c2[nH]c(-c3ccnc(Cl)c3Br)nc2c1 586979649 STJXYZYZOZONIC-UHFFFAOYSA-N 421.907 5.457 0 1 HKAF Cc1cc(C(C)(C)C)cc(C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990342 BNZQOKDKBPJXQM-UHFFFAOYSA-N 407.513 6.733 0 1 HKAF COc1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2cc1Cl 587014269 NVHFZSNXVWNXGA-UHFFFAOYSA-N 410.713 6.322 0 1 HKAF Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 587050684 QPVXLBVXWYLOTP-BQBZGAKWSA-N 417.521 5.952 0 1 HKAF CN(C)CCOc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c1 587063147 FSYKULHEJCYZOW-UHFFFAOYSA-N 421.928 5.403 0 1 HKAF Cc1nn(-c2cccc(-c3nc4cc(Br)cc(C)c4[nH]3)c2)c(C)c1Cl 587065716 WFYONSBFRCMXKJ-UHFFFAOYSA-N 415.722 5.757 0 1 HKAF Fc1c(Cl)cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1F 587081549 QDBHHOGAVCVUCI-UHFFFAOYSA-N 416.218 5.525 0 1 HKAF Cc1c(-c2cc3ccc(O)cc3oc2=O)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587101920 JOTRWJBUKJVOQZ-UHFFFAOYSA-N 419.436 5.542 0 1 HKAF FC(F)(F)c1cccnc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587107508 AZQBKYXBZSCBAA-UHFFFAOYSA-N 410.115 5.425 0 1 HKAF O=C(c1nc2cc(Oc3ccccc3)ccc2[nH]1)c1c(Cl)ccc(F)c1Cl 587132419 AQEFFNULGLLJFK-UHFFFAOYSA-N 401.224 6.032 0 1 HKAF Cn1c(O)cc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 587341215 IXLKFNHGTUCZAV-NOZRDPDXSA-N 417.436 5.003 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(ccc4ccccc24)C3)c1 587367423 PWHFVKTXIUNMJY-UHFFFAOYSA-N 413.476 7.381 0 1 HKAF CCC[C@@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587379669 ZLAWMUVMUQGNIJ-UNMCSNQZSA-N 416.901 6.301 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCc4ccc(C)cc4)c1)[C@@H](C2)C3=O 587444267 SMTAXUBMGDHYJP-FNZWTVRRSA-N 416.473 5.080 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1ccc(Cl)c(N)c1)CC2=O 587460031 KYUQYADOGCGPME-VWLOTQADSA-N 421.924 5.798 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc3ccccc3c1)CC2=O 587479219 CEWYQVBVPWVYEP-NDEPHWFRSA-N 408.497 6.407 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OCc3ccccc3)c1)CC2=O 587484040 XDEUYLJFZIQLBQ-DEOSSOPVSA-N 418.489 5.639 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)([C@H](O)c1ccc(C)cc1)CC2=O 587490887 SNUKBLSNXYANLZ-SXOMAYOGSA-N 416.517 5.556 0 1 HKAF O=C1C[C@@]2(CCCCc3ccc(Br)cc32)Oc2c1ccc1c2CCCC1 587500876 YPVQYMUKNFLDOZ-HSZRJFAPSA-N 411.339 5.915 0 1 HKAF C[C@@]1(Cc2ccc(Br)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587505386 MOQPYCYJDPVCIR-OAQYLSRUSA-N 403.291 5.434 0 1 HKAF C[C@]1(c2ccc(OC[C@H]3CCCCO3)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587509172 XLAHAQOGNALNJL-NIYFSFCBSA-N 424.512 5.533 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(Cl)o1 587538227 DLYDEQWHDYAEFN-PBHICJAKSA-N 421.630 5.104 0 1 HKAF Cc1cc(F)ccc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587566904 BSNMDJLIZXDTDI-RDGATRHJSA-N 416.404 5.803 0 1 HKAF COc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587598071 ALNDSBBUFVVWQQ-IGKIAQTJSA-N 424.452 5.306 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2cccs2)cs1 587610470 GDUOAHYICJGDFR-DENIHFKCSA-N 406.484 5.885 0 1 HKAF CCOC(=O)c1c([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2ccc([C@@H](C)CC)cc12 587643627 VTGOHDDIHWTMGJ-DOTOQJQBSA-N 414.546 5.583 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(Cl)c(Cl)c2)N1 587715993 CYNZYHAZQMQNMG-QZTNRIJFSA-N 407.085 5.658 0 1 HKAF COc1ccc([C@@]2(C(C)(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587724383 HNXRZLBGMVDPKJ-XUSGNXJCSA-N 424.329 5.560 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(F)c3)cc2)N1 587728877 GAPAZICXMIBFFA-WHEQGISXSA-N 414.293 6.018 0 1 HKAF Cc1cccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587755335 OUTPAFXZWYLBTA-FPTDNZKUSA-N 413.334 5.619 0 1 HKAF Cc1cc(C)n(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)n1 587767280 XVTKFEBCEOYUKK-XUSGNXJCSA-N 414.322 5.014 0 1 HKAF Cc1cc(C)c2nc(O)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587777976 KICSXVNGRCNYFT-YUNKPMOVSA-N 415.306 5.082 0 1 HKAF CCCc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC 587801113 IQBLADYWKAEVRF-YEJXKQKISA-N 406.339 5.563 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587810590 DCRBLAFPMKVHKA-JLDZCNIISA-N 408.399 6.500 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C)Cc2ccc(C(C)(C)C)cc2)N1 587821435 VATDLGCAFFSVED-HLFMIMNKSA-N 418.394 6.340 0 1 HKAF CCCCn1c(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nc2ccccc21 587867903 DSLNGBZLJMMOJL-UHFFFAOYSA-N 415.419 5.112 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(OCc2ccc(Cl)cc2)cc1 587871254 RKMZLERXFNSSGS-UHFFFAOYSA-N 422.887 6.310 0 1 HKAF O=C(c1cc(-c2ccncc2)nc2ccccc12)n1nc2cc1Oc1ccc(F)cc1-2 587874177 WJHZABLUKGWNAD-UHFFFAOYSA-N 408.392 5.094 0 1 HKAF COc1ccc2c(c1)[C@@](c1c(C)ccc3ccccc13)(C(F)(F)F)N(C(C)C)CC2 962095473 YZDDTOSESRBZLC-XMMPIXPASA-N 413.483 6.229 0 1 HKAF CCCOc1ccc([C@@]2(CCC(=O)O)NCCc3cc(-c4ccccc4)ccc32)cc1 962667110 MRAKPTCRIRTQTP-HHHXNRCGSA-N 415.533 5.397 0 1 HKAF c1ccc(-c2cccc3c2[C@@](c2ccccc2)(c2nccc4ccccc24)NCC3)cc1 962669092 OZZUVYUBTFOQLX-PMERELPUSA-N 412.536 6.339 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2c[nH]c(C(=O)NC3CCCCCC3)c2)N1 962944395 HTEPSNPTMGVTLG-WXTAPIANSA-N 418.585 5.136 0 1 HKAF COc1ccc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN32)cc1OCc1cccc(F)c1 963090265 ITYBGGZWOKHLAP-ATIYNZHBSA-N 421.487 5.662 0 1 HKAF COc1cc([C@@H]2c3cccc(Br)c3CCN2C)c(Cl)cc1OC(C)C 963289408 MGJQQUQUQQDDSW-FQEVSTJZSA-N 424.766 5.476 0 1 HKAF CCCCCCc1ccc([C@]2(c3ccc(Cl)nc3)NCCc3ccc(O)cc32)cc1 963344140 ZEDZAKVWJLEMTL-AREMUKBSSA-N 420.984 6.001 0 1 HKAF COc1cccc2cc([C@H]3NCCc4c3[nH]c3ccc(OCc5ccccc5)cc43)oc12 963818184 SAYLBPKDYGYGFF-AREMUKBSSA-N 424.500 5.737 0 1 HKAF CC(=O)N[C@H](C)c1nc(-c2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)no1 1772612511 KWSDTWPYMWIEPR-MRXNPFEDSA-N 415.449 5.518 0 1 HKAF Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccc(C4CCNCC4)cc3)c2)cc1 1857538867 AKVFCJQRWGJBJL-UHFFFAOYSA-N 414.505 5.080 0 1 HKAF COc1c(C(=O)CCC2CCN(Cc3ccccc3)CC2)cc(Cl)c2[nH]ccc12 1857582169 BXNNACCQTQBSOO-UHFFFAOYSA-N 410.945 5.705 0 1 HKAF CN(Cc1ccc2cc[nH]c2c1)C(=O)CCc1cccc(-c2cc3ccccc3[nH]2)c1 1911572439 LKYHEGADVDPMEJ-UHFFFAOYSA-N 407.517 5.907 0 1 HKAF C[C@H](CCCC(C)(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 2356466747 RABSKEHWTLLVFW-MWEZXWTOSA-N 414.718 8.169 0 1 HKAF CC(C)=CC=C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@]35CC[C@]12C 2356498885 LOYCURYJAXOHHB-XMODXQPJSA-N 422.697 8.153 0 1 HKAF CCC(=O)O[C@@H]1C=C(C(=O)OC)[C@H](CCc2ccoc2)[C@]2(C)CCCC(C)(C)[C@@H]12 2356517864 WNVLMFHRBFVUQZ-HSJYVMOXSA-N 402.531 5.096 0 1 HKAF CC=C(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356585336 MMFZLVUIFVOBLE-JHXIUNCFSA-N 412.702 7.945 0 1 HKAF C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@@H]3C(=CC[C@@H]4[C@@H]3CC[C@@H]3[C@@H]4CC[C@H](O)C3(C)C)[C@@H]12 2356727976 VIJDACBFDIHGDH-ASHPYMHDSA-N 414.630 5.919 0 1 HKAF Cc1cc(O)cc2c1O[C@](C)(CC1=C[C@]3(C)CCC[C@]3(C)[C@]3(C=CC(C)(C)O3)C1)CC2 2356808506 YWIBFTSPRRZAAQ-LJWNLINESA-N 422.609 6.805 0 1 HKAF COc1ccccc1CNC(=O)c1c(C(C)(C)C)noc1-c1ccc(F)cc1Cl 776210 RMUOROPTFKGYTL-UHFFFAOYSA-N 416.880 5.370 0 1 HKAF CCCCCCOP(=O)(OCCCCCC)O[C@H](C(=O)OC)C(F)(F)F 5711786 VULSCMWMOQMCEZ-CQSZACIVSA-N 406.378 5.409 0 1 HKAF C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1cccc(O)c1 13560780 WPGYOKXMAPXGPW-VJTSUQJLSA-N 404.485 5.197 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1cc(Cl)cc(Cl)c1)Oc1ccccc1-3 13777130 DTIMQMAYRMJPRM-XMMPIXPASA-N 422.355 7.750 0 1 HKAF Cc1[nH]c2ccccc2c1CCCN1CCC(c2noc3cc(Cl)ccc23)CC1 27856761 WBQKSUNBGYQJIN-UHFFFAOYSA-N 407.945 6.083 0 1 HKAF COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1[C@H]1C=C(C)CC[C@H]1C(C)C 34255914 OJZQYJGQIQVZMQ-PMACEKPBSA-N 408.538 6.018 0 1 HKAF biogenic O=C1Nc2ccc(Cl)cc2[C@@](CCF)(c2ccc(F)cc2)N1CC(F)(F)F 36488251 HAXCIXDNRUHENW-QGZVFWFLSA-N 404.766 5.492 0 1 HKAF COc1ccc(CN2[C@H]3CCC[C@@H]2CC(OC(=O)Nc2cc(C)ccc2OC)C3)cc1 40934689 HAXQRKHECWFMGM-RLAPIPATSA-N 424.541 5.146 0 1 HKAF CN(C)CC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc2ccccc2c1 45286213 LPPCDEUWAMBLSG-HHHXNRCGSA-N 408.545 5.930 0 1 HKAF Cc1cc(C)c2c(c1C)O[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CC2 45357859 ZQJBTZSSRCFVQZ-SBZVUBOMSA-N 414.718 9.135 0 1 HKAF Cc1ccc(-c2c(CN)c(CC(C)C)nc3ccc(CCCCCC(=O)O)cc23)cc1 66065932 NOQDTKQYCMVJSJ-UHFFFAOYSA-N 418.581 6.055 0 1 HKAF CCOc1ccccc1N(Cc1ccccc1)Cc1coc(-c2ccccc2Cl)n1 72101625 GJSQNVGYBMLKBJ-UHFFFAOYSA-N 418.924 6.601 0 1 HKAF CCCCCc1nc(-c2cnc(NCc3ccccc3)nc2-c2ccccc2)oc1C 82163257 WGKGZUFFQXPDOU-UHFFFAOYSA-N 412.537 6.452 0 1 HKAF Cc1nc(-c2cnc(NCCOc3ccccc3)nc2-c2ccc(F)cc2)sc1C 82164413 BZGRCBMURBQWKC-UHFFFAOYSA-N 420.513 5.514 0 1 HKAF COc1ccc2cc(-c3nc(C(C)(C)c4ccccc4)[nH]c3-c3ccncc3)ccc2c1 84654881 CYNKHAMOQCYPEL-UHFFFAOYSA-N 419.528 6.626 0 1 HKAF O=C(O)C[C@H]1O[C@@H](c2cccc(Cl)c2Cl)c2cc(Cl)ccc2-n2cccc21 84687297 KZNFCNOMKJYOAD-XLIONFOSSA-N 422.695 6.073 0 1 HKAF COc1oc(=O)c2cc(NCc3ccc(OCc4ccccc4)cc3)ccc2c1Cl 95592591 HKZDFJOUFHTYMB-UHFFFAOYSA-N 421.880 5.646 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 95618339 YSKVBPGQYRAUQO-DYEAPHFYSA-N 414.718 8.025 0 1 HKAF endogenous,in-man Nc1c(-c2nc3ccccc3[nH]2)cc(-c2ccccc2)n1Cc1nc2ccccc2[nH]1 101597435 RFXVWTGESQOYGM-UHFFFAOYSA-N 404.477 5.205 0 1 HKAF CCCCCCc1c(C(=O)C[C@@H](C)CC(=O)O)c2cc(Br)ccc2n1C 103270880 HMPBGVWIJQPMFV-CQSZACIVSA-N 422.363 5.747 0 1 HKAF NC1(c2ccc(-c3nc4ccc(-c5cc[nH]n5)cn4c3-c3ccccc3)cc2)CCC1 113654647 ALKDQQZUPXPOBW-UHFFFAOYSA-N 405.505 5.396 0 1 HKAF CC1=C(C[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)[C@H]1C(C)C 137593333 KRCHOIMKMJBPQW-AZYSMFHOSA-N 412.702 7.635 0 1 HKAF COc1c(-c2c(C)cc(OC)c3c(OC)cccc23)c(O)cc2c1[C@@H](C)N(C)[C@@H](C)C2 196116651 JITCIHHOZPFUCR-JKSUJKDBSA-N 421.537 5.484 0 1 HKAF Cn1c(CC(C)(C)C)nc2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cc21 223486196 WZOCZVZTFHKQAO-UHFFFAOYSA-N 419.500 5.031 0 1 HKAF CC(C)=CC[C@@H](O)[C@@H](C)CCC/C(C)=C/CC[C@@H](C)C[C@H](O)[C@H]1COC(C)(C)N1 238773082 CAMGJIALDLKPHB-SQKHGJOZSA-N 409.655 5.348 0 1 HKAF CCC(C)(C)c1ccc(-c2nc3c(Br)ncc(Br)c3[nH]2)cc1 586882046 RSWDJTXGLIMHIY-UHFFFAOYSA-N 423.152 5.838 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(Br)cc3O)nc3ccc(O)c1c23 586983747 BWIOETYIEUZEFU-UHFFFAOYSA-N 418.246 5.287 0 1 HKAF Brc1cnc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2c1 587040651 PWGJLTPYDNPKNB-UHFFFAOYSA-N 423.339 5.566 0 1 HKAF Cc1cc(-c2nc3cc(F)c(F)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587058993 KTBFTZSYROVGSP-UHFFFAOYSA-N 423.854 5.571 0 1 HKAF Clc1cccc(COc2ccc(/C=C/c3nc4cc5cn[nH]c5cc4[nH]3)cc2)c1 587072154 WJYXJMDQSZVBEC-RMKNXTFCSA-N 400.869 5.842 0 1 HKAF CC(C)Oc1ccc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 587072684 USROMGVPTKHYNX-UMDQBSQQSA-N 415.364 7.023 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1/C=C(/C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099445 ITVIACGBJCHOTM-JQCGEVGXSA-N 407.557 7.540 0 1 HKAF Fc1cc(F)c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1Br 587137591 BWISDGCXTQMIAC-UHFFFAOYSA-N 411.555 5.943 0 1 HKAF COc1cc2[nH]c(-c3ccc(-c4ccc(C(=O)O)c(F)c4)c(C)c3)nc2cc1Cl 587144596 LSCSURNSBXMLNV-UHFFFAOYSA-N 410.832 5.705 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(F)c1 587145056 SLFPKHRDXKBEAJ-UHFFFAOYSA-N 415.251 6.349 0 1 HKAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4c(C)cnc(Cl)c4[nH]3)cc2)cc1F 587147261 IXYQJXKDUZXVMW-UHFFFAOYSA-N 422.891 5.066 0 1 HKAF Fc1ccc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)nc1Br 587155005 IEJHIXGVXVZZLD-UHFFFAOYSA-N 410.552 5.079 0 1 HKAF Fc1cc(Cl)cc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 587182360 IMQSPMANAWBANR-UHFFFAOYSA-N 407.013 5.280 0 1 HKAF CC[C@]1(c2cc(C(=O)O)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329931 FWRFUJDMOTUBLX-ZJSXRUAMSA-N 424.399 5.033 0 1 HKAF Nc1ccc2c(c1)-c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333036 HJHRLISSJUGTFU-VPUSJEBWSA-N 423.443 5.397 0 1 HKAF CC[C@@]1(c2ccc(OC)cc2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350181 JZWABEKCLMXRHX-NOZRDPDXSA-N 422.452 5.213 0 1 HKAF COc1ccc([C@@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587354897 WBTGLZFSVSUMBC-UKILVPOCSA-N 406.453 5.450 0 1 HKAF Cc1ccccc1[C@@H]1C[C@@H]1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355063 PQHXJUNSQUYUJQ-AAXIEHDTSA-N 402.465 5.761 0 1 HKAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1cccc(C(F)(F)F)c1)CC2=O 587464702 WIPXDQJTNNFKJJ-LEQVUBRHSA-N 419.443 5.300 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(CNC(=O)OC(C)(C)C)c1)CC2=O 587470073 LXXCYOABMSTKBB-OAQYLSRUSA-N 411.498 5.076 0 1 HKAF O=C1C[C@H](c2cccc(OCc3ccccc3F)c2)Oc2c1ccc1c2CCCC1 587500493 CEVYXDPYRDYXDT-RUZDIDTESA-N 402.465 5.990 0 1 HKAF O=C1C[C@]2(CCCc3cc(SC(F)F)ccc32)Oc2c1ccc1c2CCCC1 587508189 SVESHFVMIBOZSK-QHCPKHFHSA-N 400.490 6.077 0 1 HKAF Cc1ccc(-c2nc3ccccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587516655 ZCRBOWZXDWADOJ-HSZRJFAPSA-N 408.501 5.895 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C(F)(F)F)ccc1F 587543306 BNKFOFNCCWBSOW-YLJYHZDGSA-N 404.315 5.253 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1Cc1ccc(Cl)c(Cl)c1 587547929 VJUFWDZQBGNJCH-RBUKOAKNSA-N 401.245 5.272 0 1 HKAF O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3ccccc3Br)[nH]c12 587637520 BICKFIXQIIZQDK-UHFFFAOYSA-N 412.161 5.041 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(-c3ccccc3)c2c1 587638206 CNFZWHFNCPOTOC-INIZCTEOSA-N 404.351 7.778 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(C)c3)c(C(=O)c3cc(Cl)ccc3O)c2c1 587641579 MUYHAPXQPYTXSB-INIZCTEOSA-N 417.936 7.247 0 1 HKAF CCCCN(CCCC)c1ccc(-c2nn(C(C)C)c(=O)c3ccccc23)c(O)c1 587661567 SUBZIJJBWXEWKT-UHFFFAOYSA-N 407.558 5.757 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=Cc3cc(Cl)ccc3OC2)N1 587695057 ICDHJOMHQKIULI-DGIBIBHMSA-N 408.698 5.293 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(Cl)ccc1CC2(C)C 587696535 KUDINSCWKAQFOI-PRWKNARSSA-N 408.742 5.602 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)c(C(F)(F)F)c2)N1 587716407 ZYGIWNRIRQLIDS-PWJLMRLQSA-N 422.647 5.884 0 1 HKAF COc1c(F)cc(F)cc1/C=C/[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587720063 MHCVTSBPFOBDGH-JKHIXUCDSA-N 412.249 5.164 0 1 HKAF COC(=O)c1cc2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2cc1OC 587785196 YKXCPJCDJCHKDE-RAXLEYEMSA-N 414.461 5.108 0 1 HKAF CCCCOc1cc2nc(-c3ccc(OC)c(C)c3OC)[nH]c2cc1Br 587788221 RLZKLLPDIUWKCX-UHFFFAOYSA-N 419.319 5.497 0 1 HKAF Cc1onc(-c2ccccc2)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587790960 DHAAWXJNMNDLOG-XUSGNXJCSA-N 415.306 5.349 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccccc1C=Cc1ccccc12 587831903 YBHOTQZJQDZXOM-OAHLLOKOSA-N 420.325 5.898 0 1 HKAF CC[C@]1(C)C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2O1 587835924 XTTRAABTAILNTR-DYXDTQHNSA-N 404.323 5.317 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(Br)c2)N1 587850419 YVXFAQGRAJSSHX-NXSYQRQQSA-N 405.130 5.036 0 1 HKAF Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)sc2ccccc12 587851400 BRIIXGUAZUNQIH-BIBXISHDSA-N 404.348 5.909 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C)c2ccc(C)c(C)c2n1 587868394 KEIVXMBJFPVCLD-UHFFFAOYSA-N 412.415 5.435 0 1 HKAF CC(=O)N1CCC[C@@H](c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)C1 587923541 VPAJTBOKRMJHBK-QGZVFWFLSA-N 419.525 5.823 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2)cc1 587936646 XJTNCYWRNOCTTI-UHFFFAOYSA-N 402.803 6.578 0 1 HKAF CC1(C)CCC(Cc2nc3c(Br)ccc(Br)c3[nH]2)CC1 587963705 QSBNSCBONUSQGJ-UHFFFAOYSA-N 400.158 5.847 0 1 HKAF COc1cc(-c2nc3sc(C4CC4)nn3c2-c2ccc(C)cc2)cc(OC)c1OC 653694221 PRCCPJYIXMZGMX-UHFFFAOYSA-N 421.522 5.336 0 1 HKAF C[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)Nc2ccc(Cl)cc2)[C@H]1c1ccccc1 957608714 IHUXVDGMZLQOMQ-OUPRXKBMSA-N 418.924 6.265 0 1 HKAF COc1ccc([C@]2(CCc3ccc(F)cc3)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963114545 USAHVXGVCIWPQL-SHQCIBLASA-N 419.515 5.870 0 1 HKAF FC(F)(F)c1cc(Cl)c([C@@H]2NCCc3cc(Cl)ccc32)c(C(F)(F)F)c1 963389894 DFJCCENELWDYTR-OAHLLOKOSA-N 414.176 6.266 0 1 HKAF CCOc1ccc(Nc2c(-c3ccc(OC)cc3)c(=O)oc3cc(O)ccc23)cc1 1772628343 CQESZLCQGODAML-UHFFFAOYSA-N 403.434 5.317 0 1 HKAF CCOc1cc(-c2nc(-c3cc(C)nc(C)c3)c3n2C[C@@H](C)OCC3)ccc1CC 1772630051 AWXYEIJJUZPXHD-GOSISDBHSA-N 405.542 5.151 0 1 HKAF O=C1Nc2cc(Br)ccc2C1=C(c1ccccc1)c1nc2ccccc2[nH]1 1857624492 BACZPYJUEZJHDY-UHFFFAOYSA-N 416.278 5.237 0 1 HKAF CN1C[C@](O)(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)Sc2ccccc21 1857635744 FGRXNOWHFCGQDU-OAQYLSRUSA-N 401.453 5.760 0 1 HKAF CCCOc1cccc2c(C(=O)c3ccc(OC)cc3)cn(CC3CCOCC3)c12 1857656659 VPTHEUADMDCNSL-UHFFFAOYSA-N 407.510 5.096 0 1 HKAF CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@@]1(C)[C@H]2CC[C@H]2[C@@H]3[C@@H](O)CC[C@@]3(C)CC[C@@]21C 2356555547 ZAAKSNJFLXCMKA-CYGJUSIYSA-N 402.663 6.193 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356732243 HWNMKCKZWVCWCI-LPPQQDIISA-N 418.662 5.330 0 1 HKAF CC1=C2C[C@@]34[C@H]5CC[C@@H](C6=CCC7=C6[C@@H]3[N@]3C[C@]36CCC[C@H]6C7)[C@@]4(C)[C@@]2(CC1)[C@H](C)C5 2356773484 ALLKUGHSKORXDO-TUEKCUAZSA-N 413.649 6.813 0 1 HKAF CC(C)[C@H]1CC=C2CC[C@@H]3C(C[C@H](C)COC(=O)c4ccccc4)=CCO[C@H]3[C@@H]2C1 2356791699 IWMZTXVGHIRXOG-SKZMFEDRSA-N 408.582 6.213 0 1 HKAF CO[C@H](C=C(C)C)C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356809207 AOLZZVBUHJCETR-UZGJVEAQSA-N 414.674 6.934 0 1 HKAF COc1ccc(-c2cc3onc(-c4c(Cl)cccc4Cl)c3c(=O)n2C)cc1 36386644 XQWAVQQMWMAOKK-UHFFFAOYSA-N 401.249 5.176 0 3 HKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2C(c3cc(CO)cc(CO)c3)=CCC[C@@]21C 578231 ZJFJYEHKDPEROU-MUWNDDQRSA-N 400.603 5.458 0 1 HKAF CC(C)CCNC(=O)c1c(-c2ccccc2Cl)noc1-c1c(F)cccc1Cl 2485022 DFLRVDMFZFYRTR-UHFFFAOYSA-N 421.299 6.230 0 1 HKAF Oc1cc(NC[C@H]2CC[C@@H]2NCc2ccc(Cl)c(Cl)c2)nc2ccccc12 13488730 YEBRQPZIOZJSRF-KDOFPFPSSA-N 402.325 5.228 0 1 HKAF Cc1cc([C@H](O)[C@H]2CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)ccc1F 13560784 CQWCKQOYMCYQST-RZFJZAQRSA-N 420.503 5.938 0 1 HKAF Cc1cc2c(cc1C)NC(=S)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 13743143 IHEKHWWUUMNZCX-UHFFFAOYSA-N 411.534 5.610 0 1 HKAF c1ccc(CCCN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 13746571 DJKYSTXGOFAUDC-UHFFFAOYSA-N 413.605 6.528 0 1 HKAF O=C(O)COc1c(C(=O)O)sc2c1sc1c(NCC3CCCCC3)cccc12 14955028 HZVTYKSBRUOBLA-UHFFFAOYSA-N 419.524 5.270 0 1 HKAF CC/C(=C(\c1ccc(CO)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 26569950 QDVOLNBJFQWYMI-RQZHXJHFSA-N 401.550 5.488 0 1 HKAF O=C(/C=C/c1ccccc1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 26729269 NVUMYYAHYZBMEC-WVKUQPHVSA-N 416.952 5.287 0 1 HKAF CN(C)c1cc(/C=C/c2cccc(/C=C/c3ccc(O)c(N(C)C)c3)c2)ccc1O 28949027 RHWASPNJMKUDHB-GFULKKFKSA-N 400.522 5.571 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 35033174 UROPIWALBBMYRP-NXHCPLBVSA-N 420.678 5.554 0 1 HKAF biogenic COc1cc(N[C@H](C)CCCN)c2ncccc2c1Oc1cccc(C(F)(F)F)c1 40465199 MEAQZLHOBBMRAX-CQSZACIVSA-N 419.447 5.594 0 1 HKAF CCCCCn1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccc(OC)cc21 43070322 YWLBHGIWWZWKHY-UHFFFAOYSA-N 411.498 5.097 0 1 HKAF Cn1cccc1CCNCc1ccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)cc1 45228658 KMODBYHXHMGIEI-UHFFFAOYSA-N 424.523 5.707 0 1 HKAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C 71789098 UVTGFMKBPVLATL-MFKGMXCUSA-N 418.574 5.011 0 1 HKAF in-vitro CCOC(=O)c1nc2ccc(-c3ccsc3)cn2c1-c1cccc(-c2ccccc2)c1 96927444 DZQHDRQBQZMTCO-UHFFFAOYSA-N 424.525 6.574 0 1 HKAF C[C@H]1[C@H]2Cc3ccc(Nc4ccc(C(C)(C)C)cc4)cc3[C@@]1(C)CCN2CC1CC1 100935524 BBYJALUXOFWWNF-QBLOJZIGSA-N 402.626 6.662 0 1 HKAF CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2cccc(O)c2)C2=C(O)CC(C)(C)CC2=N1 104033598 ZYNFIZMCNLDEHD-HSZRJFAPSA-N 423.553 6.103 0 1 HKAF CC[C@@H](Nc1cccc(CN2CC[C@@H](C(=O)O)C2)c1C)c1ccc(Cl)c(C)c1 118387170 JRPSBEQHUGSUPV-TZIWHRDSSA-N 400.950 5.427 0 1 HKAF CC[C@@H](Nc1cccc(CN2CC(C(=O)O)C2)c1)c1ccc2c(Cl)cccc2c1 118387598 SZAHUFAMLJREFI-HSZRJFAPSA-N 408.929 5.573 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@](O)(CCCO)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 141086221 UPHXRVZRRMJRQX-ZMJMWYBLSA-N 409.614 5.621 0 1 HKAF c1cnc(Oc2ccc(Nc3nc4ccccc4s3)cc2)c([C@@H]2CCCCO2)c1 143880029 KWSLQEHCGBMFBH-FQEVSTJZSA-N 403.507 6.469 0 1 HKAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1nnc(-c2ccccc2)o1 169722349 QNOGFWABIAKDCW-RBUKOAKNSA-N 424.291 5.719 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@H]1c1ccc(-c2ccccc2C)cc1 169728377 JKPRYYGLCUPJOU-LOSJGSFVSA-N 415.533 5.653 0 1 HKAF Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C(F)(F)F)nc12 219502215 XSOQPGCEEYGUOO-UHFFFAOYSA-N 422.410 6.377 0 1 HKAF C/C(=C/CC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1)CO 238757304 CAGBDTBNTAQAEH-PMQHFNBUSA-N 412.614 6.956 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 255212545 GMBQZIIUCVWOCD-DDXZRFABSA-N 416.646 5.794 0 1 HKAF COc1ccc(-c2cnc3snc(NC(=O)CC4CCCCC4)c3c2)cc1OC 299821316 KEDKGABSWHSCNK-UHFFFAOYSA-N 411.527 5.284 0 1 HKAF COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OC)c1OC1CCCC1 299826679 RNWNQZXMYXJZBS-UHFFFAOYSA-N 410.297 5.152 0 1 HKAF FC(F)(F)c1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1Cl 586979343 LEZGBMGJTFWHFI-UHFFFAOYSA-N 411.008 5.713 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ncc(Br)s3)nc3ccc(O)c1c23 586994607 YPLJLNDTXHNXHP-UHFFFAOYSA-N 409.264 5.038 0 1 HKAF COc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c(Cl)c2)c1 587052237 LLNXGASOMIOYEV-UHFFFAOYSA-N 420.793 6.717 0 1 HKAF COc1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2cc1F 587060917 WJUATVMGSRWTNT-UHFFFAOYSA-N 403.844 6.246 0 1 HKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587069821 LGYJWQPIFIFRCI-MRVPVSSYSA-N 413.649 5.634 0 1 HKAF Cc1c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587076300 VJHYBOOJZQUBCR-UHFFFAOYSA-N 400.869 6.170 0 1 HKAF COC(=O)c1ccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2n1 587082393 MJZPMNITDHEDSY-UHFFFAOYSA-N 414.852 5.280 0 1 HKAF Cc1ccc(-c2cc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)c3cccc(Cl)c3n2)o1 587083213 JUZAVNWWDFACMQ-UHFFFAOYSA-N 416.912 6.692 0 1 HKAF CCOC(=O)Cc1cccc(Cc2cnc3c(C)ccc4c3c2-c2ccccc2C4=O)c1 587097901 OUEMQHQVUWDUEM-UHFFFAOYSA-N 421.496 5.451 0 1 HKAF COc1cccc(/C=C2\CCCc3c2nc2cccc4c2c3-c2ccccc2C4=O)c1 587105818 ALCLCEDCKYGPSB-OBGWFSINSA-N 403.481 6.332 0 1 HKAF CSc1ccc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc2c1 587112467 MYOWWMZBKYXEDM-UHFFFAOYSA-N 400.425 6.763 0 1 HKAF Fc1ccc2c(c1)C[C@@H](c1nc3cc(Br)cc(OC(F)(F)F)c3[nH]1)O2 587174959 UAOMJMQHFDMXPT-ZDUSSCGKSA-N 417.156 5.039 0 1 HKAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587195799 NMBJICSPHALHKK-JTQLQIEISA-N 412.253 5.562 0 1 HKAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(F)cc1 587383442 BNXDQVOBWBXPEP-HSZRJFAPSA-N 407.441 5.010 0 1 HKAF Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587389604 BLVXQIZBOSEYDS-RUZDIDTESA-N 423.516 5.504 0 1 HKAF CCOC(=O)c1ccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)s1 587450218 IAPHLPLHBBLVJB-UZUQRXQVSA-N 420.486 5.089 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C)c2c(Br)cccc21 587457913 DIVYOZUUYPDFAX-GTJPDFRWSA-N 401.300 5.475 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H]1CCCc3ccccc31)CC2=O 587491705 YPXCQKYKGSKADL-RBJSKKJNSA-N 412.529 6.326 0 1 HKAF CCCCc1nnc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)o1 587523957 IMWQHPXYUZSBQW-JOCHJYFZSA-N 402.494 5.665 0 1 HKAF COc1cc(C)ccc1OCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587564422 RCBZKHZLSBIGKL-UHFFFAOYSA-N 404.310 5.497 0 1 HKAF C[C@@]1(c2cccc(Oc3ccccc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602145 WTHKJCINZSKFPO-SQHAQQRYSA-N 424.452 6.062 0 1 HKAF Cc1cccc(-c2csc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)c1 587616285 ZVILWDNDQJMJQE-OFNKIYASSA-N 415.470 5.527 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(C(F)(F)F)N1 587707894 XXSDOWOMUWYHRE-PIGZYNQJSA-N 402.229 5.123 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCSc2ccc(F)cc2)N1 587732590 NDZOXONZFGKFGE-HXPMCKFVSA-N 412.343 5.659 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccncc2)N1 587777396 HALRKMCJJLNENP-NYHFZMIOSA-N 411.318 5.004 0 1 HKAF COc1cccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 587784884 VMPOQZIZJPTVJS-UHFFFAOYSA-N 420.512 6.408 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2C(=O)OC(C)(C)C)N1 587795618 RQLWMUWQJQDYKM-CWTRNNRKSA-N 420.322 5.167 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C23CC(CC(=O)OC(C)(C)C)(C2)C3)N1 587797872 YCETWALFZMZZRZ-JRWBGUHLSA-N 424.354 5.066 0 1 HKAF CCCc1ccc(OCC)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587801569 LTGRIUIGVVXWNH-ASSNKEHSSA-N 406.339 5.563 0 1 HKAF COc1ccccc1C[C@@H]1CCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587811600 WJXLHEHBPWJFLK-UVQUFPMPSA-N 418.350 5.369 0 1 HKAF COc1cccc([C@]2(C(C)(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587812235 YUPCPAAJQNBFBI-ZSEKCTLFSA-N 406.339 5.421 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C3CC3)oc3ccc(O)cc23)N1 587826627 FVPDDHLTYLKVFE-CFMSYZGJSA-N 416.290 5.541 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccsc3)s2)N1 587844555 BTSGDATXHGWYRX-MLCYQJTMSA-N 408.361 6.002 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2C(c2ccsc2)(c2ccsc2)N1 587857273 ZIBMLCJCAOLRMG-LLVKDONJSA-N 408.361 5.537 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1ccc2ccccc2c1 587862823 XQDZOXSBERVRQR-UHFFFAOYSA-N 410.395 5.614 0 1 HKAF CCCOc1ccccc1C(=O)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC 587864241 IAEFYLXXKNPSKF-UHFFFAOYSA-N 418.415 5.445 0 1 HKAF COc1cc(C)ccc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587926434 ZFUPMHXWCSRNOD-UHFFFAOYSA-N 423.310 5.888 0 1 HKAF COc1cc(-c2ccccc2)c(OC)n1CC[C@H](c1ccc(F)cc1)c1ccco1 587945196 KHRZCVATCMWWBN-OAQYLSRUSA-N 405.469 6.127 0 1 HKAF CCCCOc1ccc(OCCCC)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 587945276 LDMLUQSWRNBVPA-QFIPXVFZSA-N 413.533 6.800 0 1 HKAF O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)Nc1ccc(Cl)cc1O 653907655 YRYZRJSTJLTKDG-UHFFFAOYSA-N 403.769 5.198 0 1 HKAF CCOC(=O)N[C@H](c1ccccc1)[C@@H]1CCCC[C@]12NCCc1ccc(F)c(C)c12 962376661 QAEPXWVREPUKJD-ZWSUVBHBSA-N 410.533 5.153 0 1 HKAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@H]2CCc1cccc(C(F)(F)F)c1 962697055 BFCBAMRAFCGDIU-DYESRHJHSA-N 409.492 5.882 0 1 HKAF COc1ccc2c(OC)ccc([C@@H]3c4cccc(F)c4CCN3[C@@H]3CCSC3)c2c1 962697794 GQJXBFIXCQZSAR-CPJLOUKISA-N 423.553 5.449 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C[C@H](C)CC(=O)O)(c2ccc(C)cc2C)N1 962950716 SMZWULVWUVDQMD-MIRXNBLZSA-N 404.554 5.454 0 1 HKAF CCSc1ccc([C@]2(c3cccc(Cl)c3)NCCc3c2sc(C)c3C)cc1 963028924 QUNDVRHPSXIQGI-HSZRJFAPSA-N 414.039 6.568 0 1 HKAF COc1cc2c(cc1C(=O)Nc1ccccc1F)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C 1772642401 FFSUOCSNQLEEPD-WRALFONMSA-N 411.517 5.088 0 1 HKAF O=C(O)c1ccc(-c2nc3ccccc3n2CCCOc2cccc3ccccc23)cc1 1857608343 YBUOKMACXVCJRY-UHFFFAOYSA-N 422.484 6.024 0 1 HKAF CCCSc1nc(Sc2ccc(C)cc2)c2[nH]c(=Nc3ccccc3)sc2n1 1857745715 WJCAGEJVGICXHC-UHFFFAOYSA-N 424.620 6.214 0 1 HKAF CC(C)[C@@H]1CC[C@]2(C)C1=CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@@]21C 2356571112 IVGYNKMUKVTWBT-IYSRWYSNSA-N 408.714 8.974 0 1 HKAF CC(=O)N[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@@]45C[C@]35CC[C@]12C 2356674384 FXDDRLSNPIXAQG-PLRGDQLQSA-N 400.651 5.244 0 1 HKAF Cc1ccc(-c2nc3cc(C)c(Br)c(C)n3c2Cc2cccc(F)c2)cc1 95568247 CNELCWQETBPMCU-UHFFFAOYSA-N 423.329 6.419 0 3 HKAF O=C(C1CCC1)n1ccc2ccc(-c3ccc4ccn(Cc5ccccc5)c4c3)cc21 200478016 CMEZJCXSZLATKE-UHFFFAOYSA-N 404.513 6.752 0 3 HKAF CC(C)=CCc1c2c(cc3c1OC[C@@H](c1ccc(O)cc1O)C3=O)C=CC(C)(C)O2 13376925 IONFEFOVMAIGGC-FQEVSTJZSA-N 406.478 5.150 0 1 HKAF biogenic CCCC[C@@H](CC)n1c(CC)nc2c1C(=O)N(C)CN2c1ccc(Cl)cc1Cl 13582788 YDPLDDJWUQCPNL-OAHLLOKOSA-N 423.388 6.075 0 1 HKAF COCCSc1ccc(-c2cc(-c3ccc(SCCOC)cc3)ncn2)cc1 40567068 UXIYEZHFRTWBRL-UHFFFAOYSA-N 412.580 5.288 0 1 HKAF Cc1ccc(-c2ccccc2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1 43201229 UCTJPSCONMENMI-WOJBJXKFSA-N 418.512 5.516 0 1 HKAF CCN(CC)Cc1cc(NC(=O)c2ccccc2O)ccc1Oc1ccc(Cl)cc1 45302161 IGBBNABEPDETQT-UHFFFAOYSA-N 424.928 5.932 0 1 HKAF O=C(O)c1csc(NC(=O)[C@H](CC2CCCC2)c2ccc(Cl)c(Cl)c2)n1 49112966 FDQRYJSBXWMVHG-GFCCVEGCSA-N 413.326 5.451 0 1 HKAF CC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@H]1c1ccc(Br)cc1 53314888 JTFRWVFFXGWODA-KRWDZBQOSA-N 412.114 5.454 0 1 HKAF CCN(CC)CCC[C@@H](C)NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 71331517 IMTXCXCVQAKVIK-LJQANCHMSA-N 421.610 5.717 0 1 HKAF CC(C)[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCCC1CCCCC1 82070269 WZSLUMVRWDTTJH-FQEVSTJZSA-N 414.571 5.078 0 1 HKAF CCc1cnc(-c2cnc(NCc3ccccc3F)nc2-c2ccc(F)cc2)s1 82164909 HVOMEVNHBULCBN-UHFFFAOYSA-N 408.477 5.720 0 1 HKAF Cc1cnc2[nH]cc(Cc3ccc(NCc4ccc(C(F)(F)F)nc4)nc3F)c2c1 117432750 CLVZDUIYCBVJLA-UHFFFAOYSA-N 415.394 5.022 0 1 HKAF Clc1ccc(-c2ccc(CCCNc3ccc(CN4CCCCC4)cc3)cc2)cc1 137643705 KFIBFLUHCJZUTE-UHFFFAOYSA-N 419.012 7.038 0 1 HKAF CC[C@@H](c1cccc(O)c1)[C@@H]1C(=O)C[C@@](c2ccccc2)(C2CCCCC2)OC1=O 169715006 JXKOPEXDLNDGCC-GGBSJPMNSA-N 406.522 5.494 0 1 HKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOC[C@@H]1COC(C)(C)O1 238772270 FRTYVHDVOQZSFS-OJJQZRKESA-N 412.699 7.620 0 1 HKAF CC1(C)C=Cc2c(c3c(c4c(=O)cc(-c5ccc(O)cc5O)oc24)OC(C)(C)CC3)O1 238786391 ROBVBUDXNGCAGA-UHFFFAOYSA-N 420.461 5.159 0 1 HKAF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(C)C)[C@@]4(C)CC[C@H]32)C1 255260285 PZCACFCRRKXFLZ-LGFAFGKKSA-N 416.690 7.649 0 1 HKAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)[C@H]1C[C@H]2C=C[C@H]1C2 473087918 MILMUQAPEJSUCG-YNBXLMLASA-N 405.626 6.149 0 1 HKAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1 586918344 WXVMBGPYZNOPOG-KUHUBIRLSA-N 406.429 5.391 0 1 HKAF CCOC(=O)/C(=C/c1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989447 JEVIZGLTRXPHAM-XSFVSMFZSA-N 421.452 5.256 0 1 HKAF Clc1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cc1Cl 586997270 BJVCHAGDEWGQOF-OWOJBTEDSA-N 412.070 5.531 0 1 HKAF CC(C)(C)c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2n1 586999145 WTNFKMKIFHVYFI-LCYFTJDESA-N 422.326 6.448 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2c1 587017352 KKIWWQPMPWVUSU-UHFFFAOYSA-N 415.227 6.074 0 1 HKAF Clc1ccccc1-c1nc(-c2nc3c(Cl)c(Br)cnc3[nH]2)co1 587063555 WGTXCYJMSGVESL-UHFFFAOYSA-N 410.058 5.349 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccnc(Cl)c2[nH]1)c1cccc(Cl)c1 587072412 VXNFEIHQFZJGJT-CQSZACIVSA-N 407.301 5.073 0 1 HKAF Clc1ccc(C2=C[C@@H](c3nc4cc(Br)cc(Cl)c4[nH]3)ON2)cc1 587076518 MQSCWNKUKWJDJE-AWEZNQCLSA-N 411.086 5.249 0 1 HKAF Cc1cc(Cl)cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12 587168112 SICOXAVNKJXYKM-UHFFFAOYSA-N 421.906 5.193 0 1 HKAF Clc1cc2nc(/C=C\c3cccc(I)c3)[nH]c2nc1Cl 587183683 GLYAIBIYTFTTFA-PLNGDYQASA-N 416.049 5.040 0 1 HKAF CC(C)[C@H](c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)N(C)C(=O)OC(C)(C)C 587198266 WEPSSPJZDQPSSF-CQSZACIVSA-N 405.848 5.799 0 1 HKAF C[C@@]1(c2c[nH]c3cc(F)ccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332094 IQIONNQGKOTYPB-UPVQGACJSA-N 405.400 5.426 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(C2CC2)[C@@H]1c1ccc(F)cc1 587333574 SYHWGFVKYBYNBB-ISKFKSNPSA-N 408.856 5.849 0 1 HKAF CCCCc1c(-c2ccc(O)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587365040 CTTWUSUQLMNLCN-UHFFFAOYSA-N 423.512 7.372 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C[C@@H](c1ccccc1)c1cn(C)c3ccccc13)O2 587392049 VRSAMJFYTOKNRY-CTNGQTDRSA-N 410.517 5.625 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(Cl)c(Br)c1)CC2=O 587456589 RQVJLUKJTUKDFF-HXUWFJFHSA-N 423.734 6.031 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cc(Cl)c1F)CC2=O 587467274 RXCLUESDFGGYFI-MRXNPFEDSA-N 413.670 5.606 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H]1CCCc3ccccc31)CC2=O 587491707 YPXCQKYKGSKADL-UFHPHHKVSA-N 412.529 6.326 0 1 HKAF CSc1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(F)c2)cc1 587503507 HGALTBOZEICZNV-VWLOTQADSA-N 418.533 6.800 0 1 HKAF CCOc1cc(Br)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587504135 PHGCHXSCIDUZFF-HXUWFJFHSA-N 401.300 5.433 0 1 HKAF CC[C@]1(c2ccc(F)c(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587506058 OIHWNKZVORGDQC-OAQYLSRUSA-N 403.291 5.738 0 1 HKAF Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587524639 LENYKORVDDEDTF-AREMUKBSSA-N 421.540 7.037 0 1 HKAF COc1ccc([C@]2(CCCCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587528083 ZFJDOKDTDSQRFZ-VWLOTQADSA-N 408.494 5.080 0 1 HKAF Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]c2ccc(Cl)cc12 587550498 BKXISJUQEIFBNI-XXBNENTESA-N 405.837 5.538 0 1 HKAF Cc1cc(OC(F)(F)F)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557426 RNQAAFQTSBZTHT-NQIIRXRSSA-N 416.351 5.302 0 1 HKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N1CCCC1 587594600 NEDQHEHVOMDLCW-RCZVLFRGSA-N 401.462 5.004 0 1 HKAF CCC[C@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611936 HQBDPWGXWPWCPM-WIYYLYMNSA-N 400.883 5.764 0 1 HKAF O=C(c1c(-c2cc(Cl)ccc2Cl)[nH]c2cc(Cl)c(F)cc12)C(F)(F)F 587628477 LQGGSIMTUNGRNF-UHFFFAOYSA-N 410.581 6.679 0 1 HKAF CCc1cccc2sc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nc12 587656704 JKZPIWVIFDRUBE-UHFFFAOYSA-N 419.456 5.503 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)cc2F)N1 587710397 GBDZZPPYKWORCM-XYZCENFISA-N 420.219 5.544 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(C(F)(F)F)c2)N1 587714710 WRCIARZPBYDUGX-VPTHRUTESA-N 406.192 5.370 0 1 HKAF CC[C@]1(c2c(F)cc(F)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587721174 PBCMUVJXXCMLKJ-LZVRBXCZSA-N 402.229 5.193 0 1 HKAF Cc1ccc(F)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1Cl 587722162 RMGUYHFNHXYGHK-MGNBDDOMSA-N 400.694 5.487 0 1 HKAF CCCCCOc1cc2nc(-c3ccc(C)c(OCC)c3)[nH]c2cc1Br 587778038 HZYOSBWNFAUNIA-UHFFFAOYSA-N 417.347 6.269 0 1 HKAF Cc1cc(F)c2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc2c1 587782984 UXVHSZDCALLHQW-UHFFFAOYSA-N 422.503 6.847 0 1 HKAF CCCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587797097 VRCIUUBERKYHIO-ASSNKEHSSA-N 422.338 5.399 0 1 HKAF CSc1ccc([C@@]2(C(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587844285 LFTGJOUUWRDYRX-ZUOKHONESA-N 408.380 5.744 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1csc(C)c1-c1ccccc1 587873225 WDOLWFYHFFJFQP-UHFFFAOYSA-N 406.482 5.813 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc(F)c(-n5cccn5)cc4[nH]3)cc2)cc1OC 587928292 BERMXXOIIJXYPC-UHFFFAOYSA-N 414.440 5.239 0 1 HKAF CCCCCOc1cc2nc(Cc3cc(C)ccc3C)[nH]c2cc1Br 587958844 KSLMBSABQCTBBO-UHFFFAOYSA-N 401.348 6.102 0 1 HKAF COc1cccc([C@]2(c3cc(C)cc(C)c3)NCCc3cc(-c4ccccc4)ccc32)c1 962663096 NHSVDSZBXVSNQJ-SSEXGKCCSA-N 419.568 6.417 0 1 HKAF COc1ccc(CC[C@]2(C3(O)CCCCC3)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963101219 QPOGDGQFLQFQDE-WXVAWEFUSA-N 423.572 5.378 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCC1OCCCO1)c1ccccc1OCC 963222742 CKLJXZOYTHDPRS-ZBLYBZFDSA-N 423.597 5.529 0 1 HKAF O=C(Nc1ccc2sc(-c3ccc(F)c(F)c3)nc2c1)N1CCC(F)(F)CC1 1772640479 CZQDGDIHGJHINE-UHFFFAOYSA-N 409.408 5.505 0 1 HKAF C[C@H]1CC2(CC[C@H]1CC(=O)O)CCN(c1cc(OC(F)(F)F)ccc1Cl)CC2 1772657287 NLNNWVPBXBVTLL-KBPBESRZSA-N 419.871 5.736 0 1 HKAF CC(C)CC=C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356514986 UYJOTTBIRXBXME-PXBBAZSNSA-N 412.658 7.345 0 1 HKAF CC1=C[C@H](CNC2=CC=C[CH]N2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(C)cc2)o1 2356860434 YNDJJKDMZMZWJK-ZRBLBEILSA-N 417.577 5.194 0 1 HKAF Cc1nc2cc(O[C@]3(C)CCN(Cc4ccc(OC(F)(F)F)cc4)C3)ccc2s1 61903024 DVGXVSCZEWXRCE-HXUWFJFHSA-N 422.472 5.547 0 3 HKAF Clc1ccc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1 1534341 NEMILYAYVCLLDG-SVBPBHIXSA-N 417.980 6.152 0 1 HKAF Cc1ccc(-n2nc(C)c3c(C(=O)Nc4ccccc4C(F)(F)F)cc(C)nc32)cc1 8598430 UZVLIZNZFYVLDJ-UHFFFAOYSA-N 424.426 5.617 0 1 HKAF COc1c(CC=C(C)C)c(O)c2c(O)c3c(cc2c1CC=C(C)C)O[C@H](C)CC3=O 13308069 BUMMMTPWVQOQSF-OAHLLOKOSA-N 410.510 5.631 0 1 HKAF biogenic CCc1nc2c(-c3ccc(Cl)cc3Cl)ccnc2n1[C@@H](CCOC)C1CCC1 13479592 RZHRWWAIUQTLEF-IBGZPJMESA-N 418.368 6.345 0 1 HKAF CCC(CC)C(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12 13489789 HPWHAGLBTGTEIO-UHFFFAOYSA-N 407.354 5.527 0 1 HKAF CC(=O)O[C@H]1/C=C(\C)[C@H](OC(=O)c2ccc(O)cc2)C/C=C(/C)CCCC1(C)C 14441608 YUURXLYREVDXOP-UPUSVOHISA-N 400.515 5.342 0 1 HKAF CC(=O)OC[C@H](CO)OC(=O)C[C@H](C)CC[C@]1(C)C2=CCCC(C)(C)[C@@H]2CC[C@@H]1C 15266739 PJOREQSYWOKTEE-ITERFQPLSA-N 422.606 5.059 0 1 HKAF biogenic C[C@H]1[C@@H]2[C@H](C[C@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CN2 15449111 KWVISVAMQJWJSZ-ITBXTYOOSA-N 413.646 5.287 0 1 HKAF Cc1cc2c(OC[C@H](O)CN3CC[C@@H](c4ccc5occc5c4)C[C@@H]3C)cccc2[nH]1 26578443 XWEQLRPOGNKSDB-CZTZKLFOSA-N 418.537 5.230 0 1 HKAF O=C(O)c1cc(-c2ccc(Br)cc2)nc2ccc(OC(F)(F)F)cc12 27634884 BWQDDNKERUHLMM-UHFFFAOYSA-N 412.161 5.261 0 1 HKAF O=C(NCC1CCOCC1)c1cnc(Nc2ccc(Cl)cc2Cl)cc1C1CC1 40395019 RSZNJMNZSVCMKK-UHFFFAOYSA-N 420.340 5.166 0 1 HKAF CC(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)Nc1ccc(Cl)cc1 40860970 IKYNKEIAQGWXRQ-UHFFFAOYSA-N 401.796 5.463 0 1 HKAF CCCCCN1N=C(C(=O)N[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)C[C@@H]1c1ccccc1F 43203459 JCQRAJVSZJBITB-ZMZRDZHMSA-N 413.581 5.450 0 1 HKAF CC[C@@]1(c2ccsc2)OCC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21 45498259 BIADWZCQGLJVOB-NRFANRHFSA-N 401.890 5.830 0 1 HKAF CCOC(=O)c1c(N)oc2c1c(Sc1ccc(C)c(C)c1)c(O)c1ncccc12 66066409 HQAMQHJXSDEIBC-UHFFFAOYSA-N 408.479 5.214 0 1 HKAF Cc1cn(-c2ccc(Nc3nc4c(s3)CCC[C@@H]4c3ccccc3)cc2C)cn1 73196307 SUEFYOULMNCZTE-HXUWFJFHSA-N 400.551 6.157 0 1 HKAF CCOc1ccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccccc3)n2)cc1 82163147 LOWNNNUYVWDWQJ-UHFFFAOYSA-N 414.509 5.469 0 1 HKAF CCc1cnc(-c2cnc(NCc3ccc(C)cc3)nc2-c2ccc(F)cc2)s1 82164972 ZLZVCVGYBVXUQE-UHFFFAOYSA-N 404.514 5.889 0 1 HKAF CCCCCn1c(-c2cccc(O)c2)nc2c(NCc3ccc(F)cc3)ncnc21 82185477 WOMBLFNWMDBNPW-UHFFFAOYSA-N 405.477 5.140 0 1 HKAF CCC1=C(CC(=O)O)c2cc(/C=C/C(=O)OC(C)(C)C)ccc2/C1=C\c1ccsc1 89455552 ZCJSQTWKPMWGNT-JERDJRHPSA-N 422.546 6.296 0 1 HKAF Clc1cc(NCc2cccs2)c2[nH]c3cnc(NCc4ccccc4)cc3c2c1 95553004 ADRLYBIHSXUDDL-UHFFFAOYSA-N 418.953 6.655 0 1 HKAF COc1ccc(Cc2cc([C@H]3[C@@H](c4ccc(Cl)cc4)C[C@H]4CC[C@H]3N4C)on2)cc1 101166520 XSHISTSQXDXEMK-QYOMTGNWSA-N 422.956 5.661 0 1 HKAF Cc1ccc2cc([C@@H]3CC(c4ccc(Br)s4)=NN3)c(Cl)nc2c1 103174944 VSMLMRMJLPHJQI-ZDUSSCGKSA-N 406.736 5.459 0 1 HKAF CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(O)cc2)C2=C(O)CC(C)(C)CC2=N1 103993667 SGKBKCPEGRAPBR-HSZRJFAPSA-N 417.505 5.580 0 1 HKAF Nc1c(C(=O)Nc2cccc(Br)c2)sc2nc3c(cc12)CCCCC3 142921672 NZSPXBJOMMAEPI-UHFFFAOYSA-N 416.344 5.162 0 1 HKAF CCCCC1([C@H](O)/C=C/[C@@H]2CCC(=O)[C@@H]2CCCCC(C)(C)CC(=O)O)CCC1 169315228 GZVDKGJRCMHHOV-UVOGRCCOSA-N 406.607 5.921 0 1 HKAF CN1CCCCCCCCCC(=O)OC[C@@H]2[C@H](C[C@@H]3CC[C@@H]2N3C)c2ccc1cc2 169362326 GFWKSCDPOYKBDG-LIONHTAISA-N 412.618 5.367 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@H]1c1ccc(-c2ccc(C)cc2)cc1 169728389 RURSCLVYCLIHPW-LOSJGSFVSA-N 415.533 5.653 0 1 HKAF C[C@@H]1C[C@H]1c1cc(NC(=O)Nc2ccc(Br)cc2)n(-c2ccccc2)n1 204750291 QVWLWICBLLCJMQ-CXAGYDPISA-N 411.303 5.402 0 1 HKAF COc1cc(N2CCCCC2)ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1 207623301 KRCCOUOMNPOYTD-UHFFFAOYSA-N 420.561 5.225 0 1 HKAF COc1ccc(-c2c(-c3ccc(OC)cc3)n3nc(-c4ccccc4)cc3n2C)cc1 248080308 OXCCFLVXWFVSBL-UHFFFAOYSA-N 409.489 5.691 0 1 HKAF N=C1S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1c1ccc(F)cc1 299870527 WILYBPHREBNBKA-RFWMZAAKSA-N 404.466 5.460 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C(NNc1ccccc1)=CCC3 586987634 PIIMXRHGKPJQEC-UHFFFAOYSA-N 405.457 5.056 0 1 HKAF Cc1cc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1F 587031172 LZVKNANYFNHQDD-LBMJDHPKSA-N 402.520 5.137 0 1 HKAF CCCOc1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2cc1Br 587036446 BMHDBXBXQGQZSG-MRXNPFEDSA-N 407.333 5.032 0 1 HKAF COC(=O)c1cccc2nc(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c12 587046225 DCQADJQFEIBFTE-CMDGGOBGSA-N 414.889 5.217 0 1 HKAF COc1cc(/C=C/c2nc3cccc(C(C)(C)C)c3[nH]2)cc(Cl)c1OCC(C)C 587046851 NJPIPVXAHIEYTB-ZHACJKMWSA-N 412.961 6.728 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc3ncccc3c2[nH]1 587069263 DMORSXKMOVEVSP-CHWIRNKESA-N 408.332 6.784 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 587072569 RZRLDMKDFIYAQC-ZZXRJTRXSA-N 411.254 6.653 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc3c(c2[nH]1)CCCC3 587072908 ZXOMYYYRUQHPJW-QCFZEVRASA-N 411.376 7.115 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(Cl)ncc4[nH]3)c(Cl)cc12 587078500 SMZBTZPNMVHEBW-JTQLQIEISA-N 418.280 5.464 0 1 HKAF O=C(O)c1cc(F)cc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc12 587113785 LIFRZVVHWBRBSX-UHFFFAOYSA-N 416.330 5.878 0 1 HKAF Fc1cc(Br)c(Cl)cc1-c1nc2cccc(Br)c2[nH]1 587136471 IJAGTLBYRORHQR-UHFFFAOYSA-N 404.464 5.547 0 1 HKAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3ccc(Br)cc3[nH]2)c1 587159495 PIEWIDMLQWOKIM-UHFFFAOYSA-N 407.246 5.470 0 1 HKAF COC1=Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@H](C(=O)O)C1 587363729 TUGCBAQAFDYJOK-QGZVFWFLSA-N 401.418 5.216 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C(F)(F)F)ccc1C(F)(F)F)O2 587382728 RKINLBJQKFIZBI-QGZVFWFLSA-N 403.322 5.495 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2ccc3ccccc3c21 587408185 NQZKKKLXZMICAJ-MHZLTWQESA-N 405.453 5.184 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1cccc(-c4ccc(C)c(Cl)c4)c1)[C@@H](C2)C3=O 587419211 KCZWLLZEMGEGOW-NBGIEHNGSA-N 404.893 5.987 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1csc(COc3ccc(C)cc3)n1)CC2=O 587494138 JLRWSOSUTZLSFH-NRFANRHFSA-N 409.507 5.395 0 1 HKAF COc1ccc([C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587502477 RLWXBVDXGBTZEZ-SANMLTNESA-N 418.920 6.136 0 1 HKAF O=C1C[C@@H](c2c(-c3ccco3)oc3ccc(O)cc23)Oc2c1ccc1c2CCCC1 587534052 VDTFWSZLKHVXMM-QFIPXVFZSA-N 400.430 5.984 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(C(F)(F)F)c1F 587542588 AHFQCUKMYSLSLI-OXQOHEQNSA-N 404.315 5.253 0 1 HKAF Cc1ccc([C@]2(Cc3ccncc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587589562 YFDPOWNNFFYUKB-SQHAQQRYSA-N 423.468 5.195 0 1 HKAF O=C(c1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)F 587622342 LCFNMMIILJJCCG-UHFFFAOYSA-N 424.632 5.575 0 1 HKAF C[C@H](CC(=O)O)c1c(-c2ccc(Br)cc2)[nH]c2cc(Cl)c(F)cc12 587628685 RXDRZHMIXLZIDI-SECBINFHSA-N 410.670 5.968 0 1 HKAF Cc1ccc(O)c(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)c2ccc(Cl)cc2)c1 587628891 TVHOVIGWRZYQLF-UHFFFAOYSA-N 414.263 6.526 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cc(Cl)ccc3Cl)c2c1 587639766 CGKCXEHUNAFPOO-NSHDSACASA-N 404.293 6.006 0 1 HKAF CC(C)Oc1ccc(Cl)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587698523 QLEOSFZKGWGZFK-JEOXALJRSA-N 412.730 5.652 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)cc2F)N1 587712996 RLMFUVUAZRHWBV-XYZCENFISA-N 420.219 5.544 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC3CCCC3)c2)N1 587810823 MFJRHIKYIVWMPM-ZSEKCTLFSA-N 404.323 5.533 0 1 HKAF Cc1ccc(C(C)C)c2c1[C@]1(CCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587833993 JLZQPTZXEJNBQS-JLCFBVMHSA-N 418.350 5.580 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](c3ccccc3)OC2(C)C)N1 587835387 WGRJINZWCIDVTM-GQNMWPQZSA-N 404.323 5.258 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccsc3)n2)N1 587852785 IXIQWHYSRRSVBY-NSPYISDASA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1ccc(Cl)cc1Cl 587857507 RAGZVSAPYBQMED-UHFFFAOYSA-N 416.135 6.611 0 1 HKAF CCN(CC)c1ccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 587862404 MUEUKUNQZYCDJQ-UHFFFAOYSA-N 417.431 5.112 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Nc1ccc(C)cc1Cl 587865175 YWFRZFWJBJCNCG-UHFFFAOYSA-N 423.822 6.010 0 1 HKAF Fc1cc(Br)c2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2c1 587949663 KHRFYQIEZNGEQP-ZHACJKMWSA-N 409.258 6.427 0 1 HKAF CCCOc1cc2nc([C@H](CC)O[C@@H]3CCC[C@H](C)C3)[nH]c2cc1Br 587951757 ZYABQSNRFCCFPR-IYOUNJFTSA-N 409.368 6.161 0 1 HKAF CCC[C@H](c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)C(C)C 587955381 OBJJKNKOWRYVMY-AWEZNQCLSA-N 421.438 6.513 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(C)nc2[nH]1 587958360 FLZSWGMTODAEAR-WGIJKTCHSA-N 417.641 8.121 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c(/C=C(\CC)c3ccc(C)cc3)nc2c1 587968022 RRNQOWIWZZESEL-WYMLVPIESA-N 413.315 5.761 0 1 HKAF CC(C)=CCC/C(C)=C\c1nc2c(I)cnc(Cl)c2[nH]1 587968562 RXZJOYXODOOVIJ-YFHOEESVSA-N 401.679 5.366 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(C)c(C)c2)(c2ccccc2Cl)N1 962953838 WLIOSRGYOFMLOL-DCFHFQCYSA-N 414.980 6.654 0 1 HKAF Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)cc1 963104537 HYOCQYOHTKSUEQ-NEKDWFFYSA-N 423.535 6.097 0 1 HKAF Cc1ccc([C@]2(c3c(N)sc(C)c3C)NCCc3c(Cl)cc(Cl)cc32)cc1 963106233 JXJRPPVXOLNMFF-QFIPXVFZSA-N 417.405 6.000 0 1 HKAF CCSc1ccc([C@]2(c3ccc(C(C)(C)C)cc3)NCCc3ccc(O)cc32)cc1 963341989 PPQNJRHQHVQHAL-MHZLTWQESA-N 417.618 6.239 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)NC2(/C=C\c1ccccc1)/C=C\c1ccccc1 963634121 JMLQOIRDZXYCPT-VAAVIFETSA-N 411.545 5.860 0 1 HKAF C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3Cl)cn2)[C@@H]2[C@@H](C)OC(=O)[C@@H]2CC1(F)F 1772575394 WGXLZMPOJPJRDZ-PDBAIESGSA-N 417.883 5.884 0 1 HKAF C[C@H]1CC[C@@]2(C[C@@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@@H]3[C@@H]2C)NC1 2356436124 BERPQBQZDVMCHH-LRHPXCEESA-N 411.674 5.951 0 1 HKAF CC(=CC=C[C@H](C)C[C@H]1OC(=O)C(C)=C1O)CCC[C@@H](C)CCCc1ccoc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c2ccc[nH]2)=NC1=Cc1ccc(CCCCCCCCC[C@H](C)O)[nH]1 2356801863 QXGFTKXBVPCSQE-IBGZPJMESA-N 409.574 5.761 0 1 HKAF COc1ccccc1-c1sc2cc3c(cc2c1-c1ccc2c(c1)OCO2)OCO3 36388685 WRUAPBRODCCNTP-UHFFFAOYSA-N 404.443 5.701 0 3 HKAF C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 2036212 XYNPYHXGMWJBLV-BPTSLXNSSA-N 415.662 5.367 0 1 HKAF Cc1ccc(CNc2nc(CN3CCCC[C@H]3c3cccnc3)nc3ccccc23)o1 12078685 CLLZIZVKWMFQKT-QHCPKHFHSA-N 413.525 5.266 0 1 HKAF COc1cc(O)c(C(=O)CCc2ccccc2)c(O[C@]2(C(C)C)CC=C(C)CC2)c1 13308435 SEFWPUMBPRKGFS-AREMUKBSSA-N 408.538 6.120 0 1 HKAF biogenic CCOc1cc2ncnc(Nc3cc(-c4csc(C)n4)ccc3F)c2cc1OCC 13490807 FGCCHIJKZXQJIY-UHFFFAOYSA-N 424.501 5.742 0 1 HKAF COc1ccc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1 27548204 ZMPIAJWCWPGMEU-NSOVKSMOSA-N 413.561 5.507 0 1 HKAF COc1ccc([C@H]2Cc3ccccc3-c3nc(N)c4ccccc4c32)c(OC)c1OC 28474909 HRSAZIXAEDARCK-HXUWFJFHSA-N 412.489 5.198 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cn1cnc2c1c(=N)ncn2C 28816844 MWFUCKICVZPWBS-PCFRKWGVSA-N 421.633 6.395 0 1 HKAF O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCc2ccccc21 28826677 GKQKOVPXRRKPFI-UHFFFAOYSA-N 400.356 5.454 0 1 HKAF CC(C)CNc1cc(CCc2ccccc2)nc(NCc2cccc3ccccc23)n1 40429225 OIKQZSXJXBVUAO-UHFFFAOYSA-N 410.565 6.095 0 1 HKAF COc1ccc(CNCc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)c2)cc1 45302826 RSBQTDXWLWZJLR-UHFFFAOYSA-N 419.528 6.195 0 1 HKAF O=C(NCCSCc1cccc(C(F)(F)F)c1)c1c(Cl)cccc1Cl 49803698 DMOMKKJTDNKGOL-UHFFFAOYSA-N 408.272 5.675 0 1 HKAF CCOC(=O)c1c(/C=C/CCCCCCCCO[C@@H]2CCCCO2)cccc1OC 71295090 CDIPBCLPESNNDH-VOCPSOEZSA-N 418.574 6.159 0 1 HKAF COc1cc(OCc2ccccc2)cc2c1nc(C)c1c(C)nc(-c3cccnc3C)n12 73195561 FPWOWXHTJZXANJ-UHFFFAOYSA-N 424.504 5.457 0 1 HKAF CN1CCC[C@@H]1CCn1c(-c2cccs2)nc2c(NC3CCCCCC3)ncnc21 82190793 RSKZIQXGLRJBOL-GOSISDBHSA-N 424.618 5.174 0 1 HKAF Cc1cc2[nH]c3ccccc3c2c2c1CC[C@@]13[C@@H](O)CC[C@@H](C)[C@]1(C)[C@H](O)C[C@@H](C)[C@@H]23 85598149 CXQOHHTZVIKVEM-KOOUEZQKSA-N 417.593 5.844 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CCC(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 95889718 CDZYWWWLHGYOCO-KQCVGMHHSA-N 410.730 9.054 0 1 HKAF Cc1ccc(-c2cccc(-c3cc(=O)cc(N4CCOCC4)s3)c2)c2ccccc12 101074538 DBYFKMWNMOWCEK-UHFFFAOYSA-N 413.542 5.741 0 1 HKAF CCCCC[C@@H](O)c1ccc([C@@H]2[C@@H](C/C=C\CCCC(=O)O)[C@H](C#N)C[C@H]2O)cc1 117061336 XMZNXASVJYOPFE-ZIEGXOAUSA-N 413.558 5.106 0 1 HKAF CC[C@H](C)c1cc(/C=C/c2ccccc2)cc([C@H](C)CC)c1OC[C@@H](O)CNC(C)C 169318880 VSILICXEBYOFHJ-HDGWVGKGSA-N 423.641 6.622 0 1 HKAF COC(=O)[C@H]1[C@H]2CC[C@@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(C)s2)cc1)C3 169369653 WNGKSXJKUCQJJD-JWMILMNQSA-N 407.579 5.400 0 1 HKAF COC(=O)[C@@H]1CC=C(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C[C@H]1C(=O)OC 261138854 MRKGZZRVSSGZIK-LUGTWXOSSA-N 422.650 6.724 0 1 HKAF COc1cccc2c(CNC3(c4ncc(-c5ccc(C)cc5)[nH]4)CCCC3)c[nH]c12 473090850 PWCGBMBEZDCAFY-UHFFFAOYSA-N 400.526 5.434 0 1 HKAF CC(C)(Oc1ccc(Br)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 586996007 NJKVBFIUSCFKML-UHFFFAOYSA-N 401.091 5.341 0 1 HKAF COc1ccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2n1 587082001 BYDWJFCZCHXADF-UHFFFAOYSA-N 402.841 5.208 0 1 HKAF Cc1c(-c2ccc(Br)s2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587102413 PRWIDKTUTKVMNZ-UHFFFAOYSA-N 420.331 6.554 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(C(F)(F)F)cc3Cl)nc3cccc1c23 587104028 PZRVZYVTGDQDDP-UHFFFAOYSA-N 409.794 6.785 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)C[C@@H]21 587108068 XWPNACPYELMUCT-UZLBHIALSA-N 412.489 5.095 0 1 HKAF Fc1cc(F)c(-c2nc3c(Cl)c(Br)cnc3[nH]2)cc1Br 587137747 JDYVCXCVFAOMDI-UHFFFAOYSA-N 423.442 5.082 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1F 587151938 VSQPLOXALQUNNL-QGZVFWFLSA-N 406.219 5.711 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c(F)c2)c(F)c1 587153311 YENPSIDKYXPICT-UHFFFAOYSA-N 420.337 6.082 0 1 HKAF CC(C)COc1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c2cc1Br 587160964 JEKJGAYVBACJDS-LSDHHAIUSA-N 403.295 5.770 0 1 HKAF COC(=O)Nc1ccc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)cc1 587244023 VPCATLZPFZUHAQ-UHFFFAOYSA-N 414.181 5.190 0 1 HKAF CC(C)[C@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335823 RODBLPGSWIAGSC-ISKFKSNPSA-N 412.407 5.720 0 1 HKAF Cc1nc2ccccc2nc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347070 ODJNEAIKQMXUSZ-RCZVLFRGSA-N 414.436 5.057 0 1 HKAF CCCc1c(-c2ncccc2C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587362817 IHJNFCSUHFDUTD-UHFFFAOYSA-N 408.501 6.980 0 1 HKAF COc1cccc(-c2cc(/C=C\C3=C(C)CCCC3(C)C)nc3c2oc2ccccc23)c1 587365659 NIOSTLAAJAQWRA-PFONDFGASA-N 423.556 8.196 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)c(Br)cc1Cl)O2 587375655 DZAGMFXOJDYHPE-OAHLLOKOSA-N 401.087 5.353 0 1 HKAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CSCc1ccco1 587408469 GSENYUMHFCORSS-JOCHJYFZSA-N 409.507 5.319 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)([C@@H](O)c1ccccc1)CC2=O 587463564 VTGJGLVDGOCVCV-DQEYMECFSA-N 422.908 5.592 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCc3cccc(F)c3)c1)CC2=O 587468441 VCTQSUSAHSRLCU-XMMPIXPASA-N 406.453 5.769 0 1 HKAF Cc1cc(Br)c2[nH]cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587499041 QMTVULKWNYZWSS-FQEVSTJZSA-N 410.311 5.824 0 1 HKAF Nc1ccc(Cl)cc1[C@@]1(c2cccc(O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587502566 SAMXRSDBTOCEIF-VWLOTQADSA-N 419.908 5.416 0 1 HKAF O=C1C[C@@H](c2ccc(OCCN3CCCCC3)cc2)Oc2c1ccc1c2CCCC1 587511916 AQZZADISELKMKR-VWLOTQADSA-N 405.538 5.137 0 1 HKAF Cc1cc2c(c(C)c1Cl)[C@@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545083 GOXIKNDZBSXJEK-GBXCKJPGSA-N 422.864 5.302 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CSC(F)F)o1 587557410 RLXGUEFIAGZRLJ-VQIMIIECSA-N 404.390 5.144 0 1 HKAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC(C)C 587596704 RAZMCASYZKGQRJ-RDGATRHJSA-N 420.461 5.139 0 1 HKAF COc1cccc([C@@H]2CCCC[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)c1 587601056 QEXNGTLEESUIDI-CLLDFNAGSA-N 416.473 5.459 0 1 HKAF COc1ccc(-c2[nH]c3cc(F)ccc3c2-c2ccccc2C)c(Br)c1 587632766 OZORHQPMNHEGNA-UHFFFAOYSA-N 410.286 6.721 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(OC(F)F)c3)c(C(=O)C(=O)OC)c2c1 587640109 BYHIPJQHAGMLSI-LBPRGKRZSA-N 401.409 5.306 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ccc3ccncc23)N1 587694308 HAUJJWAVBATPPN-APBUJDDRSA-N 405.698 5.413 0 1 HKAF Cc1[nH]c2ccc(Cl)cc2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587700180 SAQXHUAKEAIKEQ-HOGDKLEQSA-N 407.714 5.655 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ccnc(Cl)c3c2)N1 587704932 LIFCYWLYWRAOKM-MLCYQJTMSA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(F)(F)F)(c2ccc(F)cc2)N1 587711217 WQVNKGHASXRINN-BMLIUANNSA-N 420.219 5.458 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C[C@@H](C)c2cn(C)c3ccccc23)N1 587760651 ZSNNPVBZFUMEKF-HKZYLEAXSA-N 415.350 5.849 0 1 HKAF COc1ccc2c(c1)CCCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587810205 SSMVTQPNXOLFDU-LRTDBIEQSA-N 404.323 5.101 0 1 HKAF CC1=C(CC[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)CCC1 587810235 CEJSZMZOFHTSNN-NYHFZMIOSA-N 408.399 6.644 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccc(O)cc12 587835734 XVANADWSCQRUGK-IPQOISQHSA-N 410.286 5.100 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2sc(C(C)(C)C)cc2N)N1 587842436 DVRBKGKRPZCCOX-GIGQVBGESA-N 411.384 5.327 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)s2)N1 587846174 GYWFGPSHKNMVAZ-WJWGPLDTSA-N 405.130 5.036 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 587866379 ZJUVVDQAPXQUGC-LPHOPBHVSA-N 406.448 5.846 0 1 HKAF COc1ccccc1Oc1c(Cl)cccc1-n1c(OC)ccc1OC(C)(C)C 587941071 MGJSZPDLQVSVCU-UHFFFAOYSA-N 401.890 6.118 0 1 HKAF CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[C@@H]1NCCc2cc(-c3ccccc3)ccc21 962667281 NIPWQMYDZUYGFY-LARDHNBOSA-N 418.581 5.480 0 1 HKAF CSC(=C[C@]1(c2cccnc2)NCCc2cc(-c3ccccc3)ccc21)SC 962676456 ZETOFWLSYPXWKD-XMMPIXPASA-N 404.604 5.705 0 1 HKAF Clc1cc(Cl)c2c(c1)[C@@]1(NCC2)c2ccccc2-c2ccc3ccccc3c21 963102808 FRYXCVPBCGXRBQ-VWLOTQADSA-N 402.324 6.565 0 1 HKAF CC(=O)N(c1ccc(C)cc1)c1nc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)cs1 963103513 LBZCNPKCOZAHLP-OFNKIYASSA-N 421.541 5.385 0 1 HKAF Cc1ccc(C(=O)Oc2cccc3ccc(-c4cccc(C(F)(F)F)c4)nc23)cc1 1857578925 ZIKVGTUHVRNLPG-UHFFFAOYSA-N 407.391 6.448 0 1 HKAF COC(=O)/C=C/C(C)=C/C(C)=C/[C@H]1C(C[C@H](C)O)=C(C)C=C2C[C@@H](C)C(=O)[C@@H](C)[C@@H]21 1857752576 CJDQRZHRJWJAGG-OXEMTIHYSA-N 412.570 5.113 0 1 HKAF CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(CNC(=O)c3ccccc3)[C@@H]1CC2 1857772301 ULEONIKAGUXREJ-DOEKTCAHSA-N 405.582 5.956 0 1 HKAF CO[C@@H]1C[C@]2(C)[C@H](CC[C@@H]2[C@H](C)C=C[C@@H](C)C(C)C)c2cc3c(c(C)c21)C[C@@H](O)CC3 2356602929 QATMLMHKOKQDMW-XLAXXFKZSA-N 424.669 6.920 0 1 HKAF COc1c(CC=C(C)CCC=C(C)C)c(O)cc(CCc2ccccc2)c1C(=O)O 2356637061 FWWXZTJGBMXIDI-UHFFFAOYSA-N 408.538 6.119 0 1 HKAF COc1cc(C=CCO)cc(OC)c1OCC=C(C)CCC=C(C)CCC=C(C)C 2356784051 NAZDDZHIYCIART-UHFFFAOYSA-N 414.586 6.507 0 1 HKAF CC(C)c1ccc(NC(=O)Nc2nc([C@H](N)COCc3ccccc3)cs2)cc1 61927186 WJCMRSVUGWARIZ-LJQANCHMSA-N 410.543 5.127 0 3 HKAF CCOc1cccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)N[C@H](C)C(C)C)c1 774384 UYNCIBSHEHTDJN-MRXNPFEDSA-N 408.498 5.190 0 1 HKAF O=C1CN(C(=O)CCC2CCCC2)[C@H](c2ccc(F)cc2)c2cc(Cl)ccc2N1 2456353 QOZTVQSJNUMAOB-HSZRJFAPSA-N 414.908 5.320 0 1 HKAF CC(C)(CO)CCCOc1ccc(OCCCC(C)(C)CO)c(-c2ccccc2)c1 25980572 DVFYGSALNXITRA-UHFFFAOYSA-N 414.586 5.709 0 1 HKAF CN1CCc2ccc([C@@H]3C[C@@H]3c3ccc4cc(C(=N)N)ccc4c3)cc2[C@@H]1C(C)(C)C 28365541 MYVWVEULEWPQGP-RMTZWNOUSA-N 411.593 5.970 0 1 HKAF CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3Cc2ccccc2)cc1 40392984 VDPKQKVMHNDVFN-UHFFFAOYSA-N 419.550 5.183 0 1 HKAF CC1CCN(CCc2ccc(-c3ccc(CCN4CCC(C)CC4)cc3)cc2)CC1 40863373 CYSDCSLGWAVYPG-UHFFFAOYSA-N 404.642 5.902 0 1 HKAF CC(C)CN1CCC(Oc2ccc3cc(C(=O)N4CCC(C)CC4)ccc3c2)CC1 43021196 QTTXAJZYVFABKM-UHFFFAOYSA-N 408.586 5.211 0 1 HKAF Cc1[nH]c(C)c(-c2ccc(OCc3ccc(OC(F)(F)F)cc3)nc2)c(=O)c1Cl 45302926 JMUBMEOGVZOWCI-UHFFFAOYSA-N 424.806 5.185 0 1 HKAF Cc1cc2nc(-c3ccc(C(=O)NCc4ccc(Cl)c(Cl)c4)cc3)[nH]c2cc1C 45303092 TUOUGMKQSGPISX-UHFFFAOYSA-N 424.331 6.084 0 1 HKAF CC(=O)Nc1cccc(Nc2nccc(Nc3ccc(Oc4ccccc4)cc3)n2)c1 45318262 QOAULKCYXADNBX-UHFFFAOYSA-N 411.465 5.715 0 1 HKAF FC(F)(F)c1ccc(Nc2noc3cc(-c4ccccc4C(F)(F)F)ccc23)cc1 45321305 CGPOWCKLBWQVKJ-UHFFFAOYSA-N 422.328 7.276 0 1 HKAF COc1ccccc1[C@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(F)cc1 49803902 JWESMYAXISKMKG-FUPPJEDESA-N 424.472 5.679 0 1 HKAF O=C(O)[C@@H]1CCCN(CC/C=C(\c2ccccc2)c2ccccc2Br)C1 66156511 VXLYYQILXABUIX-LSCADSNKSA-N 414.343 5.068 0 1 HKAF Cn1c(-c2ccc(-c3cccnc3)cc2O)nnc1C1(c2ccc(Cl)cc2)CCC1 71318202 ZSTHUWVKZPCGCW-UHFFFAOYSA-N 416.912 5.373 0 1 HKAF CCC(CC)c1ccc2c(NCCCNCc3cc(F)ccc3OC)ccnc2c1 72122701 FHWJMQNNVXSVKX-UHFFFAOYSA-N 409.549 5.878 0 1 HKAF O[C@@H](c1ccc(F)c(Cl)c1)c1nnc(Nc2cc(C(F)(F)F)ccc2F)s1 82079053 MANANTGWUPKWKQ-ZDUSSCGKSA-N 421.778 5.314 0 1 HKAF Cn1c(NC[C@H]2CCCO2)nc2cnc(Nc3ccc(Oc4ccccc4)cc3)cc21 82081978 PFEHGVISZUIPGJ-HXUWFJFHSA-N 415.497 5.095 0 1 HKAF O=C(NCC1CCCCC1)c1cnc(NCC2CCCCC2)nc1-c1ccccc1F 82150638 BNYYUCXNXBABGO-UHFFFAOYSA-N 424.564 5.585 0 1 HKAF COc1cc(OC)cc(-c2cc(C)c3nc(Nc4cccc(C)c4C)nnc3c2)c1 96167704 SOHGBCJRAJJOHG-UHFFFAOYSA-N 400.482 5.378 0 1 HKAF Cc1ccc(C)c(-c2cccc([C@H]3COc4cc5c(cc4O3)OC[C@H]5CC(=O)O)c2)c1 96269861 KLITXUVWSOHBEM-KBMIEXCESA-N 416.473 5.434 0 1 HKAF CCC[C@@H](C)CCC[C@H](C)C(=O)C[C@@H](O)[C@@H](C)C/C=C/C1=C(C)CCCC1(C)C 100781233 JSSNFOHEHRIBDT-IXRDNJDRSA-N 404.679 7.658 0 1 HKAF endogenous,in-man CCOc1cccc(-c2cc(F)c(Nc3ncc(C4CC4)cc3C(=O)O)cc2F)c1 103277440 RHSZFWUKYXGXEL-UHFFFAOYSA-N 410.420 5.745 0 1 HKAF CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2Cl)C2=C(O)CC(C)(C)CC2=N1 103522797 BRSUKCWRWPLTHS-OAQYLSRUSA-N 413.945 6.270 0 1 HKAF CC(=O)N1C[C@H](c2[nH]c(-c3ccccc3)nc2-c2ccccn2)CC[C@H]1c1ccccc1 142696274 XCAJLNFIIKMIJF-VWNXMTODSA-N 422.532 5.606 0 1 HKAF O=C1C[C@](CCc2ccccc2)(c2ccccc2)OC(=O)[C@@H]1Sc1cccs1 169716091 HLFWZPOQHDICFH-FYYLOGMGSA-N 408.544 5.253 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 238737550 BVVFRHKBULZQCQ-ORXPIFDWSA-N 414.718 8.313 0 1 HKAF C=C/C(C)=C\C=C\[C@]1(C)C[C@@H](OC(=O)/C(C)=C\C)[C@H](OC(=O)/C(C)=C\C)C(C)(C)O1 238771005 HBANHAYXQYVIAZ-LRGPXYOGSA-N 416.558 5.389 0 1 HKAF COc1ccc(-c2ccc(-c3ccc(OC)c(OC)c3)c(OC)c2OC)cc1OC 299851969 LLSIUPXSMJCPBF-UHFFFAOYSA-N 410.466 5.072 0 1 HKAF CSc1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587028681 YWGIWJYCQZLVPE-XPGWFJOJSA-N 411.596 5.421 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(F)c(-n5cccn5)cc4[nH]3)c21 587030462 FACIDAKRKYHJLY-AWEZNQCLSA-N 417.513 5.847 0 1 HKAF O=c1ccc(-c2nc3cccc(Cl)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587052315 NSSJQCZOOQYXJO-UHFFFAOYSA-N 404.684 5.400 0 1 HKAF Cc1cc(Cl)cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c12 587060689 LYCXPVZONYAINH-UHFFFAOYSA-N 404.300 7.060 0 1 HKAF COC(=O)c1cc2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc2cc1OC 587062659 IEMWHYXHVCQWDC-UHFFFAOYSA-N 406.869 5.269 0 1 HKAF CC(C)(C)OC(=O)N1CCCC[C@H]1c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105232 TZIWBLANGHOECK-QFIPXVFZSA-N 414.505 5.908 0 1 HKAF Fc1c(Br)ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 587116475 YLWHXIZXPCRGQH-UHFFFAOYSA-N 411.156 5.094 0 1 HKAF COc1ccc(C(=O)c2ccccc2-c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1F 587145352 XHDBMSPDMQFIIE-UHFFFAOYSA-N 403.457 5.301 0 1 HKAF CC(C)COc1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1Br 587150296 BXXGYDSTTQNRCX-OLZOCXBDSA-N 421.285 5.910 0 1 HKAF Cc1cc(Br)cc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c12 587162080 CFUSSILUFMCWTD-UHFFFAOYSA-N 424.273 5.692 0 1 HKAF CC(C)[C@@]1(Cc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331095 OXFUSCSXZGASTJ-UKILVPOCSA-N 424.899 6.181 0 1 HKAF C[C@]1(c2c(Cl)nc3ccccn23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331923 RDMSWEGNSLMEBP-CVDCTZTESA-N 422.843 5.107 0 1 HKAF CCc1ccc(OC)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587354049 SVUMTZQLYOCOTI-ZCYQVOJMSA-N 406.453 5.377 0 1 HKAF CCOC(=O)Cc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CC(C)C 587363342 REXGBIPBUXZKJL-UHFFFAOYSA-N 417.505 5.961 0 1 HKAF CCCC[C@@]1(c2ccc(Cl)c(Br)c2)CC(=O)c2cc(C)cc(N)c2O1 587378573 VWRCPAHULPNVPJ-FQEVSTJZSA-N 422.750 6.044 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)O2 587380142 BIGVQMOUTXZKBF-RDJZCZTQSA-N 419.321 5.156 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cnc(-c3ccc4ccccc4c3)nc1)CC2=O 587490951 QGQPDLBSAWOFPR-DEOSSOPVSA-N 410.473 5.661 0 1 HKAF CCOC(=O)[C@@H](C(C)C)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587525711 RKFAOFIZEYRLRQ-BVAGGSTKSA-N 406.522 5.261 0 1 HKAF O=C1C[C@H](c2cnc(SCc3ccccc3)nc2)Oc2c1ccc1c2CCCC1 587531225 GTKLNJFRENWEHP-JOCHJYFZSA-N 402.519 5.354 0 1 HKAF CC[C@@]1(c2ccccc2OC(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555841 MLMDFMLADAWBQE-CVDCTZTESA-N 412.388 5.261 0 1 HKAF C[C@]1(c2ccc(F)cc2N2CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568488 MOXQBBKMXNHFAZ-RCZVLFRGSA-N 419.452 5.009 0 1 HKAF Cn1c2ccccc2c2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587575596 GBRJFRCVMRODNJ-SHQCIBLASA-N 421.452 5.740 0 1 HKAF Cc1cccc(-c2csc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)c1 587616283 ZVILWDNDQJMJQE-NFBKMPQASA-N 415.470 5.527 0 1 HKAF CCCCc1oc2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616418 JQRHCMXRFMQTQI-ZEQKJWHPSA-N 414.457 6.184 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(Br)cc3)c2c1 587641576 MRTMXWKJHIGLLV-NSHDSACASA-N 424.260 6.694 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/C=C/c2ccc(Cl)cc2)N1 587702849 WVAKVLJBGDJRAL-CZCRGUSASA-N 406.726 6.087 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(F)(F)F)cc2)N1 587711850 MRSIFPUZYUDRIV-BTDLBPIBSA-N 418.228 5.153 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(SC(F)(F)F)c2)N1 587723435 WZNLPVPFTCRPIX-FVMDXXJSSA-N 420.269 5.824 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cccc(F)c2)N1 587728582 FKLSJSXWUAPGKC-ODXCJYRJSA-N 403.270 5.142 0 1 HKAF CC(C)=CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587799979 CZRGWKQHRXGBFB-QKKBWIMNSA-N 404.323 5.557 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(c2ccccc2)c2ccccc2)N1 587819440 MLICJIOXEOGHIB-WNSKOXEYSA-N 410.330 5.996 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=Cc3c(ccc4ccccc34)OC2)N1 587835568 PXLZZSQFFPRPRS-NPMABZOXSA-N 424.313 5.793 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2SC(C)(C)C)N1 587838116 BGVHZNLUVJMPFU-ASSNKEHSSA-N 422.407 6.277 0 1 HKAF CC(=O)Oc1cccc([C@@]2(c3ccc(Cl)cc3)NCCc3ccc(F)c(C)c32)c1 962376455 PMMSCRACLZPMFL-XMMPIXPASA-N 409.888 5.150 0 1 HKAF COc1cccc(-c2cccc([C@@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)c2)c1 962729269 HMFMVUYGMUKJCS-VXKWHMMOSA-N 411.423 5.097 0 1 HKAF Cc1cccc(C)c1[C@H]1CCC[C@@]2(C1)c1ccsc1CCN2Cc1cccnc1 962997944 NCADZONGEGOQFA-BKMJKUGQSA-N 402.607 6.371 0 1 HKAF CC(C)c1ccc([C@]2(CC(C)(C)C(=O)O)c3c(F)cccc3C[C@H]3CCCN32)cc1 963092104 AGQZAFRQAJBCED-QFQXNSOFSA-N 409.545 5.714 0 1 HKAF Cc1ccc([C@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)c(OCc2ccccc2)c1 963110141 MQXDGRYTTIQRFP-KCWPFWIISA-N 401.525 5.997 0 1 HKAF Cc1nn(-c2ccccc2)c(N2CCCC2)c1[C@@H]1c2c(F)cccc2C[C@@H]2CCCN21 963111484 SBJLSLUGNHTMCI-SQJMNOBHSA-N 416.544 5.030 0 1 HKAF CCc1ccncc1C1=CC=C2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 1772580248 PLFUPMOBZMILPF-SJJQFFENSA-N 419.609 6.532 0 1 HKAF Fc1ccc([C@H]2C[C@H]2COc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)cc1 1772606909 CJOZVJDWVZKYBU-GOEBONIOSA-N 405.395 5.022 0 1 HKAF c1ccc(Cn2nnnc2-c2cc3c([nH]c4ccccc43)c(-c3ccccc3)n2)cc1 1857574404 AFDXKGQYLTVDEP-UHFFFAOYSA-N 402.461 5.085 0 1 HKAF CC[C@]12CCCC(C)(C)[C@@H]1CC[C@]1(C)[C@@H]2C[C@H](O)[C@]2(C)C3=C(CC[C@H]21)[C@H](C)OC3=O 2356336089 IWRWTZUVBMXROH-AYSCAJPNSA-N 414.630 6.048 0 1 HKAF CC=C(C)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CCC(C)=CCO)[C@](C)(O)CC[C@@H]21 2356432665 INBPZKYNDOCEIN-AXWOKOBESA-N 406.607 5.188 0 1 HKAF CC(C)=CCC[C@H](C)C[C@@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@H](c2ccc(Cl)cc2)O1 95566377 AUYOLMPSHYERBZ-NQYLQCIDSA-N 418.990 5.889 0 3 HKAF O=C(NC1CCCC1)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F 775039 OGTFJOOTKLVTTO-UHFFFAOYSA-N 402.828 5.613 0 1 HKAF O=C(NC1CCCCC1)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1 1542233 GOWAJQWDPFWVDT-UHFFFAOYSA-N 414.336 6.113 0 1 HKAF CC[C@@]1(c2cccc(COc3ccccc3)c2)Oc2ccccc2-n2cccc2C1=O 13675319 HSVDJKGAHNIJBK-MHZLTWQESA-N 409.485 5.937 0 1 HKAF C[C@H](Oc1cccc(CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1)C(=O)O 13727375 XXTNGXSCOISCTE-SFHVURJKSA-N 413.473 5.646 0 1 HKAF CCN(CCCCCCOc1ccc(OC)c(OC)c1)Cc1ccccc1OC 13738610 URXLAZULBLWDRB-UHFFFAOYSA-N 401.547 5.174 0 1 HKAF CCC(=O)N(c1ccccc1)C1(c2ccccc2)CCN(CCc2cccs2)CC1 26566608 SLDUZPASPCDUTB-UHFFFAOYSA-N 418.606 5.725 0 1 HKAF CCOc1ccc(C2=NN(Cc3ccccc3)C(=O)[C@H]3CCCC[C@@H]23)cc1OCC 26569388 BGARLRUFQVBBEZ-RTWAWAEBSA-N 406.526 5.037 0 1 HKAF Cc1cc(C)cc(-c2c(OC[C@@H]3CCCN(C)C3)c3ccc(Cl)cc3[nH]c2=O)c1 26576988 NBJRZSKBRVEFLB-QGZVFWFLSA-N 410.945 5.186 0 1 HKAF Cc1ccc[n+](CCCCCc2cccc(CCCCC[n+]3cccc(C)c3)c2)c1 28861779 UZHVEKSCMQMPIS-UHFFFAOYSA-N 402.626 5.704 0 1 HKAF Cc1cc(C(=O)c2ccccc2)cc(C)c1NC(=O)C[C@@H]1CCCN2CCCC[C@H]12 35090980 HWYXZJZHDJDNEG-JTHBVZDNSA-N 404.554 5.128 0 1 HKAF COc1cc(OC)c2c(c1)[C@@H](CCCCC[C@H]1CCC[C@]3(CC[C@H](C)O3)O1)OC2=O 40429598 JCVYMDCKTLUBAJ-FSCJKDELSA-N 418.530 5.330 0 1 HKAF N=C(N)c1ccc2oc(-c3cccc(OCCCCCOc4ccccc4)c3)cc2c1 42990145 YAYBQOMRQBISBC-UHFFFAOYSA-N 414.505 6.012 0 1 HKAF Cc1cccc2nc(-c3ccc(-c4cccc(CNCCc5ccncc5)c4)cc3)[nH]c12 45302568 BNXAGEGHGABNEY-UHFFFAOYSA-N 418.544 5.933 0 1 HKAF CC(C)C[C@@H](C)NC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 45368406 ZFEDHTPDUDQCFL-IAQYHMDHSA-N 408.386 5.330 0 1 HKAF O=C(c1ccncc1)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccccc1Cl 64503492 KFWBBDDIOXEMQJ-FQEVSTJZSA-N 401.853 5.473 0 1 HKAF Cc1oc(-c2cnc(NCc3ccccc3)nc2-c2ccco2)nc1-c1ccccc1 82166145 BTEULWPDEOMWEX-UHFFFAOYSA-N 408.461 5.979 0 1 HKAF Cc1ccc(-c2nn3c(NCc4cccnc4)cc(C)nc3c2-c2ccc(F)cc2)cc1 95562250 QWBRIGASHSPAQI-UHFFFAOYSA-N 423.495 5.826 0 1 HKAF O=C(O)c1sc2cc(-n3c(S)nnc3-c3ccc(Cl)cc3)ccc2c1Cl 96273193 XBSFDYCUGWFIGC-UHFFFAOYSA-N 422.318 5.443 0 1 HKAF O=C(OC[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1cccs1)c1ccc2ccccc2c1 100909237 HKCXATAGMOKJIB-MNEUOWLUSA-N 415.558 5.624 0 1 HKAF CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(/C=C/Cc3ccccc3)ccc21 103245796 HGUDYLWMIOZRNX-UAXHHORHSA-N 415.552 6.197 0 1 HKAF CC(C)[C@@H](C)[C@@H](C)C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118924028 KTGGCSVZUGUIFS-YONYTABISA-N 416.734 7.961 0 1 HKAF CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3cc[nH]c3c2)c(F)c1 224791211 UWJILGXEQSVSLB-UHFFFAOYSA-N 423.513 5.113 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]2C1 238749874 UXHCEYUOPOEVNM-KEQTWQAYSA-N 424.713 8.377 0 1 HKAF C[C@H](NC(=O)c1ccccc1)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253852874 NOVUBZJSKIJHDS-RZUVIWCKSA-N 421.625 5.745 0 1 HKAF O=C(O)C[C@H]1CC[C@H](c2ccc(C(=O)Nc3nnc(C4CCCC4)s3)cc2)CC1 261125153 KCEASNAUKFPYSH-SHTZXODSSA-N 413.543 5.197 0 1 HKAF COc1ccc2ccc(=O)oc2c1C1=NN(c2ccccc2)[C@H](c2ccc(C)cc2)C1 299867856 QPCDCQAEXVFMEX-QFIPXVFZSA-N 410.473 5.466 0 1 HKAF Brc1ccc([C@@H](c2nc3cc4ccccc4cc3[nH]2)N2CCCC2)cc1 586984231 CZSKSNUGLYOKDB-NRFANRHFSA-N 406.327 5.664 0 1 HKAF Cc1cc(C)c2c(N)c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)sc2n1 586994407 ZJPMZGPIQOCCLV-UHFFFAOYSA-N 423.497 5.628 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc5c(cc4[nH]3)CCC(=O)N5)c21 587033337 TWKBBQMDPKMNNH-CYBMUJFWSA-N 402.523 5.407 0 1 HKAF CC(C)CCOc1cc2[nH]c(-c3cc4c(s3)CCC4)nc2cc1Br 587033834 NSLJBPDRXLCTAV-UHFFFAOYSA-N 405.361 5.968 0 1 HKAF CCCCOc1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2cc1Br 587037497 VXZLFTRXLDIAJR-KRWDZBQOSA-N 421.360 5.422 0 1 HKAF COc1cc(/C=C\c2nc3cc(Cl)cc(F)c3[nH]2)cc(Cl)c1OCC(C)C 587046352 GRPTTXFKTATHHP-PLNGDYQASA-N 409.288 6.223 0 1 HKAF COc1cc2nc(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2cc1OC 587046924 PJHYGKVPAJGUFY-SREVYHEPSA-N 416.905 5.447 0 1 HKAF COC(=O)c1ccnc2[nH]c(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587071542 OLGLQEHADNXVEK-JXMROGBWSA-N 419.868 5.147 0 1 HKAF Fc1cc(Br)c(Cl)cc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 587136488 JCERRMZDKVQZHA-UHFFFAOYSA-N 409.564 5.684 0 1 HKAF Cc1ccc2c(ccc3[nH]c(-c4ccc(-c5ccc(C(=O)O)c(F)c5)c(C)c4)nc32)n1 587144328 IMEIMLFMAAXKHS-UHFFFAOYSA-N 411.436 5.899 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(OC(C)C)cc3[nH]2)c(F)c1 587145012 QGZAWLVCLDPXDT-UHFFFAOYSA-N 404.441 5.830 0 1 HKAF Cc1cc(Cl)cc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 587170377 APLRCVJGQXTYMQ-UHFFFAOYSA-N 415.877 5.132 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)C(C)(C)C 587203318 FFVIUHPRQJXBPT-AWEZNQCLSA-N 417.497 5.657 0 1 HKAF CC(C)(C)OC(=O)N1CCC(c2cccc(-c3cc4c5c(cccc5n3)CC4)c2)CC1 587212369 ODXLNHQQTOEDQX-UHFFFAOYSA-N 414.549 6.115 0 1 HKAF CC1(c2ccccc2)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355856 XCWLEVYFJITNNL-YXKBGSERSA-N 416.492 6.161 0 1 HKAF COc1cccc(-c2c(C)c(-c3c(F)cccc3Cl)nc3c2oc2ccccc23)c1 587359990 JTRMXQQMUWAWMJ-UHFFFAOYSA-N 417.867 7.425 0 1 HKAF Cc1cccc(COc2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2F)c1 587384213 BVOFGBNUCHYTOF-RUZDIDTESA-N 405.469 5.484 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1Cl)(C1CC1)[C@@H](C2)C3=O 587412248 IDSFWNWGGFQIKB-MGPUTAFESA-N 419.702 5.164 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCCC3)cc1C(F)(F)F)CC2=O 587463045 VHXQWADBZRZPBR-NRFANRHFSA-N 419.443 5.670 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCc3ccc(C)cc3)c1)CC2=O 587479204 LZQHBQPRZNGJLU-RUZDIDTESA-N 402.490 5.939 0 1 HKAF CCCc1c(O)ccc2c1O[C@H]([C@H](c1ccccc1)c1cc(C)ccc1C)CC2=O 587491340 WZACQSXWJRBBRM-IZZNHLLZSA-N 400.518 6.127 0 1 HKAF O=C1C[C@](c2ccccc2)(c2cc(F)c(F)c(F)c2)Oc2c1ccc1c2CCCC1 587504462 KCWAZLZDHXZTDX-VWLOTQADSA-N 408.419 5.892 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(SC(F)F)cc1 587553162 FAMLRPBTOSJFSB-FXAWDEMLSA-N 400.402 5.410 0 1 HKAF Oc1nc(O)c2ccc(-c3ccc(Oc4ccc(-c5ccccc5)cc4)cc3)nc2n1 587560712 DQSWLUSILZNICW-UHFFFAOYSA-N 407.429 5.562 0 1 HKAF C[C@]1(CCc2ccc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613448 OXJDZAYUXFVEHR-GHTZIAJQSA-N 400.883 5.460 0 1 HKAF CCc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 587618908 VLAKRDGGKRLSDU-BVAGGSTKSA-N 412.441 5.918 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(Nc3ccc(Br)cc3)c2c1 587639499 YFAXZKSACPDKBZ-INIZCTEOSA-N 419.366 7.855 0 1 HKAF Cc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587677845 JDJYKIYQYRAHNH-BTDLBPIBSA-N 413.128 5.283 0 1 HKAF Cc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587709251 JTPGXJKUYZRTDD-QGHHPUGFSA-N 420.219 5.376 0 1 HKAF Cc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587710849 UOOSIOYCMSGZCC-DIFFPNOSSA-N 402.229 5.237 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(F)(F)F)c2F)N1 587715202 XCJSPGJQMRAQEU-PWJLMRLQSA-N 406.192 5.370 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)cc2OC(F)F)N1 587721769 XINWDEBPWSMEOF-DYBLOJMWSA-N 418.228 5.126 0 1 HKAF Cc1ccc(/C(=C/N(C)C)[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587744502 BLLDDASUTQJQSC-LJNVDKLSSA-N 403.339 5.075 0 1 HKAF Cc1cc(C)cc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 587817681 DNXQXOUWKDOWDY-VOIUYBSRSA-N 424.357 6.496 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(=O)C3CCC3)c2)N1 587821629 WNTWDLHGYMLLCX-ODXCJYRJSA-N 402.307 5.195 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCOc3cc4c(cc32)CCC4)N1 587834809 MIEBGDWQMPQQCA-XMHCIUCPSA-N 416.334 5.027 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccccc3)o2)N1 587841619 BPVHQKUPHINLDX-MPBGBICISA-N 418.331 5.956 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1c(Cl)cncc1Cl 587855716 QUTFDOYEZCPUBE-UHFFFAOYSA-N 403.096 5.947 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1csc(C)c1CC 587861803 VTYMZFCLTKQUFG-UHFFFAOYSA-N 409.338 5.876 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 587869550 MELBCELLUDQJJA-GFCCVEGCSA-N 423.271 5.502 0 1 HKAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(Br)cc(Cl)c2[nH]1 587926898 LZHQMELSRMAJCL-LBPRGKRZSA-N 409.711 5.538 0 1 HKAF Cc1cc(OCCn2c(O)cc(-c3cccc(F)c3)c2O)c(C(C)C)cc1Cl 587942206 WDMBLTYHIZKEHE-UHFFFAOYSA-N 403.881 5.870 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2c1 587951183 XKEAPPUPBKBKIR-VAWYXSNFSA-N 404.853 5.966 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@@]12CCC[C@H](c1ccc(Cl)s1)C2 962400149 SQIGAVZIXWLRKD-AOMKIAJQSA-N 417.043 6.413 0 1 HKAF C[C@]1(c2ccc3c(c2)Nc2ccccc2S3)NCCc2cc(-c3ccccc3)ccc21 962659993 BVSMNXBZYNCUTQ-MUUNZHRXSA-N 420.581 6.971 0 1 HKAF CC(C)c1nn(C)c2c1C(CSc1ccccc1)(CSc1ccccc1)NCC2 962917537 ZSQGSIYQUWFULI-UHFFFAOYSA-N 423.651 5.469 0 1 HKAF COc1ccc(C=O)cc1COc1cccc([C@@H]2NCCc3c2sc(C)c3C)c1 963024512 NVBVTRKXIZIZNE-QHCPKHFHSA-N 407.535 5.000 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@@]3(CCc1ccccc1C)C1CCCCC1 963046236 IQXFFQUUARCJQS-NDEPHWFRSA-N 414.593 6.106 0 1 HKAF Cc1ccc2oc(-c3ccc(OCCCCCCN4CCCCC4)cc3)cc(=O)c2c1 1857572801 NDDYCWJCTGXGIS-UHFFFAOYSA-N 419.565 6.194 0 1 HKAF Cc1cccc(-c2nc(CNc3ccccc3F)[nH]c2-c2cc3cnccc3s2)n1 1857577391 WZONCVUKEIUAND-UHFFFAOYSA-N 415.497 5.808 0 1 HKAF O=C(O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc2ccccc2c1 1857583222 IQPUKPFPTKKRBO-NRFANRHFSA-N 411.288 5.941 0 1 HKAF COc1ccc(OC[C@@H]2c3sccc3CCN2C(=O)c2cccc(Cl)c2)cc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c1cocc1Cc1ccoc1 2356451972 YJUBZQBWIOZXGE-IBGZPJMESA-N 408.494 5.284 0 1 HKAF COc1cc2c(c(C)c1-c1ccoc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c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccc(Cl)cc1Cl 95599003 PVZVQTVFHVLYBJ-UHFFFAOYSA-N 415.320 6.031 0 3 HKAF CCCN(CCC)C(=O)CCc1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12 1535098 CEQBAMJVNWVQBR-UHFFFAOYSA-N 417.380 6.723 0 1 HKAF COc1c(CC=C(C)C)c(O)c2c(O)c3c(cc2c1CC=C(C)C)O[C@@H](C)CC3=O 13308071 BUMMMTPWVQOQSF-HNNXBMFYSA-N 410.510 5.631 0 1 HKAF biogenic CC(C)=CC[C@H]1Cc2c(cc3c(c2O)C(=O)C[C@H](c2c(O)cccc2O)O3)OC1(C)C 14829223 MSWKDNVOKYRGEP-VBKZILBWSA-N 424.493 5.196 0 1 HKAF biogenic CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)N4C(=O)C=CCC[C@]4(C)[C@H]3CC[C@@]21C 27984523 UPSYLOLVKJIAJC-VHHOZFFRSA-N 413.646 6.375 0 1 HKAF COc1c(OC(=O)c2ccccc2Cl)cc2oc(-c3ccccc3)cc(=O)c2c1O 28369766 PEBQRYDAOHOYNB-UHFFFAOYSA-N 422.820 5.047 0 1 HKAF CCCONC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NOCCC)cc3)o2)cc1 28458950 OXQRXSATXMOHHD-UHFFFAOYSA-N 420.513 5.127 0 1 HKAF C/C=C(\C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34187280 MMFZLVUIFVOBLE-KBBMRBGGSA-N 412.702 7.945 0 1 HKAF CC[C@H]1C=C2NC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@@H](C)CCCC(C)C)[C@@H]21 36189395 YBSFMQHCAIWRPP-RINUANCUSA-N 413.690 7.348 0 1 HKAF COC(=O)c1cccc(Oc2cccc(-c3c(C)cnc4c(Cl)cccc34)c2)c1 40835965 DUSQUBZCYLLKHT-UHFFFAOYSA-N 403.865 6.443 0 1 HKAF CC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3Cc4cc(O)ccc4O[C@@]3(C)CC[C@@H]12 40918902 BNRLGSUWUGMYKJ-NPLGQECHSA-N 410.598 6.314 0 1 HKAF Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)OCc1ccccc1Cl 43202425 HUDOROMBACNRCG-UHFFFAOYSA-N 411.672 6.359 0 1 HKAF O=c1cc(NCCCNCc2ccc(Cl)c(Cl)c2)[nH]c2cc(Cl)ccc12 45192745 WUNKWVVOPCYTQD-UHFFFAOYSA-N 410.732 5.080 0 1 HKAF CC(C)NCc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cc1 45210376 SKUJKCISAKSHHA-UHFFFAOYSA-N 409.455 6.414 0 1 HKAF CCCCCc1nc2c(-c3ccccc3)nc3ccccc3c2n1Cc1ccccc1 49036102 KNPOSQLOXGVFIW-UHFFFAOYSA-N 405.545 7.033 0 1 HKAF Fc1cccc(COc2ccc(Nc3cc(-c4ccccc4)ncn3)cc2Cl)c1 66075498 WVWYBUKDEAJOCJ-UHFFFAOYSA-N 405.860 6.259 0 1 HKAF CCN(C)c1ncc(-c2nc3ccccc3s2)c(-c2ccc(-c3ccccc3)cc2)n1 82177027 UWLLSZDGJWRRTA-UHFFFAOYSA-N 422.557 6.543 0 1 HKAF CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nccc4c3[nH]c3ccccc34)cc2)cc1 84669023 KIJYDUPVDOQRLZ-UHFFFAOYSA-N 419.528 6.933 0 1 HKAF O=C1c2ccccc2C2=Nc3ccc(Br)cc3S[C@]12c1ccccc1 84723572 ZYXFFZJGBZYJKQ-NRFANRHFSA-N 406.304 5.767 0 1 HKAF Clc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc4ccccc4c3)C2)cc1Cl 95582199 PWQAYVPGWSRNKH-VWLOTQADSA-N 417.339 7.502 0 1 HKAF CC(C)Sc1nnc(COc2ccccc2)n1-c1cccc(Br)c1 95597237 ZETKNIHDENXWCA-UHFFFAOYSA-N 404.333 5.109 0 1 HKAF c1ccc(CCCn2c3ccccc3c3cc[n+](CCCc4ccccc4)cc32)cc1 96922751 GPUNWFZSFSLSFO-UHFFFAOYSA-N 405.565 6.348 0 1 HKAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2csc(C)n2)c1 167356071 LRUWAFBAMKJJRR-QRWLVFNGSA-N 422.550 5.245 0 1 HKAF CCC[P@@](=O)(OCC)c1ccc(Nc2cc(-c3ccccc3OC)ncn2)cc1 169346816 HHPMNGJSIDSQBK-GDLZYMKVSA-N 411.442 5.246 0 1 HKAF Cc1c(F)cc(-c2cccc(F)c2)cc1CNc1c(F)ccc(OCC(=O)O)c1F 218856359 JTYLYSPSSBGHFE-UHFFFAOYSA-N 419.374 5.294 0 1 HKAF CC(C)=CCC/C=C(\C)COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1 238771474 DXMQUDDSYNTIBT-REZTVBANSA-N 406.478 5.943 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@H]3CC[C@]12C 253648974 YSWDCQJTPYALJE-CGVYZBRVSA-N 404.635 6.742 0 1 HKAF CN(C)[C@@]12CCN[C@@H]([C@H](c3cccc4ccccc34)C1)[C@@H](c1cccc3ccccc13)C2 299807461 ITBUBVSCPRMUAT-AOPYLASSSA-N 420.600 6.317 0 1 HKAF CN(C)CCCNc1nc(Cl)nc2cc(-c3ccc(C(F)(F)F)cc3)sc12 473091513 ZFPKHLMLPCGRAG-UHFFFAOYSA-N 414.884 5.394 0 1 HKAF CC(C)c1cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(O)c(C(C)C)c1 586897091 XGMHMIIPEKGPEE-UHFFFAOYSA-N 412.839 6.734 0 1 HKAF O=Cc1ccc(OCc2occc2-c2nc3cc(F)cc(Br)c3[nH]2)cc1 586901241 RKKOFVCFUQPDFZ-UHFFFAOYSA-N 415.218 5.116 0 1 HKAF Brc1ccc(Br)c2[nH]c(CCc3cc4ccccc4o3)nc12 586903828 PPFRBIGAMMKPQY-UHFFFAOYSA-N 420.104 5.619 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(Br)ncc3F)nc3ccc(O)c1c23 586988200 GIWQOVNOGJDCLS-UHFFFAOYSA-N 421.225 5.115 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(C(F)(F)F)cc4O)nc13)-c1ccccc1C2=O 586993412 NCQQAMYLUYSQPM-UHFFFAOYSA-N 405.375 6.146 0 1 HKAF Clc1ccccc1OCCn1c(-c2nc3cccc(Cl)c3[nH]2)cc2ccccc21 587064031 JQJGTWDXERIDGW-UHFFFAOYSA-N 422.315 6.570 0 1 HKAF Cc1cc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2cc1Cl 587064522 UWBITEMOBGVGCR-UHFFFAOYSA-N 414.292 5.086 0 1 HKAF CCOc1cc(/C=C/c2nc3ccc(Oc4ccccc4)cc3[nH]2)ccc1OC(F)F 587129065 BLYIEVROBNTORZ-UKTHLTGXSA-N 422.431 6.526 0 1 HKAF Cc1ccc2c(ccc3nc([C@@H](Oc4ccc(F)cc4Cl)c4ccccc4)[nH]c32)n1 587157757 CEHQSRFQVNTLOP-QHCPKHFHSA-N 417.871 6.380 0 1 HKAF Fc1cc2[nH]c(-c3cc(Cl)cc(I)c3)nc2cc1Cl 587183328 XFOHLKFXKNKYCK-UHFFFAOYSA-N 407.013 5.280 0 1 HKAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cccc(OCc3ccccc3)c2[nH]1 587201336 KUJNOYKPRSRPCK-UHFFFAOYSA-N 423.557 5.723 0 1 HKAF Oc1ccc(Nc2cccc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c2)cc1 587242898 XSMDTKITAAMYLL-UHFFFAOYSA-N 403.791 6.351 0 1 HKAF COc1cccc(-c2cc(-c3cc(F)c(F)cc3F)nc3c2oc2ccccc23)c1 587360477 OUGILIMUHUDXRH-UHFFFAOYSA-N 405.375 6.741 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3ccc(Cl)cc3Cl)o1)O2 587373496 DOTRXEVKNURAHH-FQEVSTJZSA-N 418.276 5.763 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccccc1Sc1ccccc1Cl)[C@@H](C2)C3=O 587453578 UATHKLWJABMMED-HJPURHCSSA-N 408.906 5.989 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCN3CCCC[C@H]3C)cc1)CC2=O 587482388 ZULKHVFRUQNBAO-IQGLISFBSA-N 423.553 5.304 0 1 HKAF O=C1C[C@@](c2ccccc2)(c2cccc3ccccc23)Oc2c1ccc1c2CCCC1 587523942 MKYXEWQIANVVBD-GDLZYMKVSA-N 404.509 6.628 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccc(Cl)c(Cl)c1 587544786 NYNUFHQGHTZIOV-QUCCMNQESA-N 415.272 5.662 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CSC(F)F)o1 587557406 RLXGUEFIAGZRLJ-LPHOPBHVSA-N 404.390 5.144 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(SC(F)(F)F)cc1 587558639 XTDWKFVNAGZRKG-XLIONFOSSA-N 418.392 5.707 0 1 HKAF C[C@@H](C[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1cn(C)c2ccccc12 587580410 XRGOOVNEFJHNBX-NAKSJZFLSA-N 413.473 5.408 0 1 HKAF Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc2ccccc12 587616747 GLJNYLXAFHMMJQ-YKSBVNFPSA-N 402.471 5.792 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCSc1c(Cl)cccc12 587619931 VVWUGPDQCDECQK-XMSQKQJNSA-N 410.878 5.399 0 1 HKAF CN(C)Cc1c(-c2ccc(O)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625225 CHHZMGFDKCRAKQ-UHFFFAOYSA-N 402.338 5.640 0 1 HKAF Oc1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626834 XOKSQXVFIDYDLY-UHFFFAOYSA-N 424.138 6.341 0 1 HKAF O=C(O)[C@@H]1CCCC[C@@H]1c1c(-c2ccc(Cl)cc2)[nH]c2cc(Cl)c(F)cc12 587627811 CWHWKMIRGDAPPU-UONOGXRCSA-N 406.284 6.639 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1 587693514 FEBJQZDPCCNGJP-GIPWTMENSA-N 420.709 6.125 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2ccccc2Cl)N1 587697879 PLSCBWCCIJFLPD-MLCYQJTMSA-N 420.713 5.255 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(F)c3)cc2)N1 587734725 VENRCHNCNWGTPR-XMHCIUCPSA-N 414.293 6.018 0 1 HKAF Cc1cc(C)c2nc(O)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587777975 KICSXVNGRCNYFT-ODXCJYRJSA-N 415.306 5.082 0 1 HKAF CCCc1ccc(OCC)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587801570 LTGRIUIGVVXWNH-LRTDBIEQSA-N 406.339 5.563 0 1 HKAF COc1ccc2cccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587808001 MPIGOINAYXNNJD-DMZKTXOQSA-N 414.318 5.548 0 1 HKAF CCCCCc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587814009 FICAKZQLWAYJRC-QRQCRPRQSA-N 404.367 6.119 0 1 HKAF Cc1nc(C(C)(C)C)sc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587854836 UHAWUOXJJSFEJW-APBUJDDRSA-N 411.384 5.448 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1ccc(C(F)(F)F)cc1 587864489 IFLAEELSPGVYQG-UHFFFAOYSA-N 414.349 6.035 0 1 HKAF COc1cccc(-c2cc(C(F)F)nc(-n3nc4cc3Oc3ccc(F)cc3-4)n2)c1 587873540 DEAXJYMNEUYJOV-UHFFFAOYSA-N 410.355 5.187 0 1 HKAF O=C(c1ccc(COc2ccc(Cl)cc2)o1)n1nc2cc1Oc1ccc(F)cc1-2 587874407 ZAJGDFQLHIREOO-UHFFFAOYSA-N 410.788 5.309 0 1 HKAF COc1ccc(-c2cccc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c2)cc1 587936629 WTRGDWJWTBUTLL-UHFFFAOYSA-N 404.469 6.137 0 1 HKAF CCCCc1ccc(-n2c(O)cc(-c3ccc(F)cc3)c2O)c(Br)c1 587937451 RKQKJURSXHNIPT-UHFFFAOYSA-N 404.279 5.800 0 1 HKAF C[C@@]1(c2ncc(-c3ccccc3)[nH]2)Cc2c([nH]c3ccccc23)[C@@H](C2CCOCC2)N1 653742698 VMVCWWJIBFEZGN-BVAGGSTKSA-N 412.537 5.087 0 1 HKAF Cc1cc2c(cc1F)[C@](Cc1cccc(Br)c1)(c1ccccc1)NCC2 962089150 GETZMJFFQGPOLL-QHCPKHFHSA-N 410.330 5.529 0 1 HKAF COc1ccc2c(c1)[C@H](c1c(C)nn(-c3cccc(C)c3)c1Cl)N(C(C)C)CC2 962092967 RPMXZJSKPORFJP-HSZRJFAPSA-N 409.961 5.507 0 1 HKAF COc1ccc2c(c1OC)[C@](CCc1cccc(Cl)c1)(C1CCC1)N(C)[C@H](C)C2 962626689 MYOPTUKDVNHBLV-NSYGIPOTSA-N 413.989 5.862 0 1 HKAF CC(C)(C)OC(=O)N1CCCC[C@@]2(CC1)NCCc1cccc(-c3ccccc3)c12 962659057 AJOFSJDEMJQBQX-SANMLTNESA-N 406.570 5.506 0 1 HKAF CCOC(=O)c1ccc([C@@]2(C(F)(F)F)N[C@H](CC)Cc3c2[nH]c2ccccc32)s1 962960063 RWSZEEQNGMKMOH-MPBGBICISA-N 422.472 5.136 0 1 HKAF C[C@H]1C[C@@]2(NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c2ccccc2S1 962963732 YWCIAXQTFAAKLS-NYHFZMIOSA-N 419.512 5.485 0 1 HKAF CC(C)(C[C@@]1(c2ccc3ccccc3c2)c2ccc(F)cc2C[C@H]2CCCN21)C(=O)O 963113013 YIMJYRSYYXOBME-YIXXDRMTSA-N 417.524 5.744 0 1 HKAF COc1cc(N[C@H](C)CCCNC(=O)Nc2ccc(Cl)cc2)c2ncccc2c1 1772589203 URTFFIAHAPLONG-OAHLLOKOSA-N 412.921 5.299 0 1 HKAF C(=C/c1ccc(Oc2ccccc2)cc1)\CCCCCCCCOC[C@@H]1CCCN1 1857537280 FXHOPWGXWWYOFD-UJZCAVEWSA-N 407.598 6.991 0 1 HKAF COC(=O)c1c(CCCCCCCCCCCCC[C@H](C)O)cc(OC)cc1OC 2356370903 FAHWXDWTXFCGHC-FQEVSTJZSA-N 422.606 6.095 0 1 HKAF CC(=C[C@H](C)[C@@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)[C@@H](C)C(C)C 2356459328 IBLYVOWFIMIDBP-HURYXJCXSA-N 412.702 7.945 0 1 HKAF CC(C)[C@@H](C)[C@H]1C[C@H]1[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356487494 CMQUZVIEHACIBO-OJBHJKDJSA-N 412.702 7.491 0 1 HKAF CC1=C(C(C)C)[C@@H]1C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356512297 XMKPXGGZJIEBEJ-NNMFOSNLSA-N 412.702 7.635 0 1 HKAF Fc1ccc([C@]2(Cn3ccnc3)C[C@@H](c3ccccc3)ON2Cc2ccccc2)cc1 576185 ADMHQVNQRIGPDJ-IZZNHLLZSA-N 413.496 5.497 0 1 HKAF CCOc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)NCCC(C)C 774862 OEPVOEZSZYRNGR-UHFFFAOYSA-N 412.917 5.837 0 1 HKAF COc1ccc(-c2onc(C(F)(F)F)c2Oc2cnn(-c3ccccc3)c2)c(O)c1 2853330 CJCLIWVXZRYQOF-UHFFFAOYSA-N 417.343 5.053 0 1 HKAF CCOC(=O)CCCCCCCC[C@@H](C)c1cccc(I)c1 3830951 QEDKWPVYINBWKH-MRXNPFEDSA-N 416.343 6.079 0 1 HKAF CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215769 JWXIQYLENFIWIA-PAWHMVCQSA-N 424.585 5.377 0 1 HKAF COc1ccc2c3c1CCC[C@]3(CCCCN1CC=C(c3ccccc3)CC1)C(=O)N2 13473718 NQOHJWWGDGNCFS-MHZLTWQESA-N 416.565 5.181 0 1 HKAF CCC[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@H](CC[C@]3(O)CCC(=O)O)[C@H]12 13719905 DNHCHRGCTVRAFT-WOBJQRTCSA-N 402.575 5.140 0 1 HKAF Cc1ccc([C@H]2Oc3ccccc3N(CCCCCN3[C@@H](C)CCC[C@H]3C)C2=O)cc1 13834490 WKDRRRCCFURGGM-TVZXLZGTSA-N 420.597 5.895 0 1 HKAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@](C)(Cc3c[nH]c4cc(O)ccc34)[C@H](C)CC[C@@]21C 14684964 QUXMSGOZWRNNMC-YWZKNAKQSA-N 421.625 6.890 0 1 HKAF biogenic CC(C)(O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 26950612 QWNXSXJQQRBDOH-UHFFFAOYSA-N 422.981 6.258 0 1 HKAF C[C@H](c1nc(-c2ccc(Br)cc2Cl)no1)[C@H](N)C(F)=C1CCCC1 29126166 WOJHAWDLHGHGPN-VFZGTOFNSA-N 414.706 5.381 0 1 HKAF CC(C)n1c2ccc(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O 36161243 PPYWURAVVIZURY-UHFFFAOYSA-N 404.853 5.285 0 1 HKAF Oc1cccc(C2=Nc3ccccc3S[C@H](c3ccc(Br)s3)C2)c1 40428948 ZQIZJSASGVWBJK-SFHVURJKSA-N 416.365 6.574 0 1 HKAF Cc1ccccc1OCC(=O)N(C)c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 45364410 VGHDHFCDPRXCSL-UHFFFAOYSA-N 406.869 5.498 0 1 HKAF CC1[C@H](O)CC(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)CCC[C@H](C)O)C[C@H]1O 66258878 JWMNZSVRCJPIDT-SWUORYHRSA-N 404.635 5.395 0 1 HKAF O=C(NCc1ccc(F)cc1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 71296168 ZQYMOHZBRLRRAF-UHFFFAOYSA-N 413.408 5.219 0 1 HKAF Cc1ccccc1N1C(=O)[C@H](c2ccccc2Cl)C[C@@H](c2ccccc2Cl)C1=O 73197173 OLNNMLWGFADCFB-OALUTQOASA-N 424.327 6.133 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CCc3cccc(Cl)c3O2)CC1 96286129 PXDVLLFXDIDTDF-UHFFFAOYSA-N 424.850 5.751 0 1 HKAF COC(=O)[C@]1(c2ccccc2)C[C@@H]1CN1[C@H]2C=C(c3ccc(Cl)cc3)C[C@H]1CC2 101415138 ZVHCIKGTRQHMOV-QYOMTGNWSA-N 407.941 5.091 0 1 HKAF O=C(O)c1csc(-n2nc(-c3ccccc3)c(C(F)(F)F)c2-c2ccccc2)n1 103249886 ZCBFSYOZVSEIJA-UHFFFAOYSA-N 415.396 5.380 0 1 HKAF CC[C@@H](C)[C@@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1)CCCC3 113125419 IUPGJXUVHFRYGH-FOIQADDNSA-N 407.579 6.673 0 1 HKAF CCc1[nH]c(=O)c(Cc2ccc3oc4ccccc4c3c2)c2cc(OC)c(OC)cc12 169703349 UWMFXMIHNIGVKF-UHFFFAOYSA-N 413.473 5.598 0 1 HKAF COc1cc(/C=C/c2ccc(OC(=O)c3ccccc3OC(C)=O)cc2)cc(OC)c1 206887309 GGGXITMTQIZDGA-CMDGGOBGSA-N 418.445 5.019 0 1 HKAF COc1ccc(Oc2ccc(NC(=O)C[C@H](CC(=O)O)c3ccccc3)cc2)cc1 217054621 DWTHRMNDSBMPGY-GOSISDBHSA-N 405.450 5.075 0 1 HKAF Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1nc(C2CC2)[nH]c1Cl 220777301 LNYAQUVCKVKLLH-UHFFFAOYSA-N 416.912 5.027 0 1 HKAF CC(C)=CCC[C@]1(C)CC[C@]2(C)C3=CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@@]2(C)C1 238742094 QGQULEUMJRAEQS-QBRIAKAFSA-N 410.730 9.508 0 1 HKAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1cc(-c2ccccc2)nc2ccc(OC)cc12 253951448 VDHJBPQFAPAQBH-WEUIACGGSA-N 402.538 5.064 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4[C@H](C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C 255269515 SZCKXGWHINUNKB-BPYCQFRXSA-N 414.718 8.025 0 1 HKAF Cc1ccc(Nc2ccnc(NCCCNc3ccnc4cc(Cl)ccc34)n2)cc1 299833423 KWPFQUWXDNBVDC-UHFFFAOYSA-N 418.932 5.644 0 1 HKAF CCN1C(=O)C[C@@H](c2nc3cc(Cl)cc(Cl)c3[nH]2)[C@@H]1c1ccccc1Cl 587061955 QBKWBKSMTRECSM-XIKOKIGWSA-N 408.716 5.600 0 1 HKAF CC(C)(C)c1cccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587071603 QGWSFCANHJOXOF-QINSGFPZSA-N 416.952 7.263 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@H]1CN(Cc3ccccc3)C[C@H]1C4)-c1ccccc1C2=O 587095962 ALOMDPRRTKCWHX-DVECYGJZSA-N 416.524 5.526 0 1 HKAF CCCCCOc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587097698 SDLSTQJMEJMNEC-UHFFFAOYSA-N 407.513 6.991 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587104645 SRPHNPJTMDKJHR-HXUWFJFHSA-N 414.505 5.738 0 1 HKAF FC(F)(F)Oc1cccc(CSCc2nc3cccc(OC(F)(F)F)c3[nH]2)c1 587123142 RGIOXXDPLLYOIH-UHFFFAOYSA-N 422.350 5.794 0 1 HKAF CCCCCOc1cc2nc(Cc3cc(N)ccc3F)[nH]c2cc1Br 587141383 PWCPWXKHYACVMU-UHFFFAOYSA-N 406.299 5.207 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc(OC)c(OC)cc4[nH]3)cc2F)c1 587143413 RFKPAGGBQRONPI-UHFFFAOYSA-N 412.848 5.715 0 1 HKAF O=C(Nc1cccc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1)c1ccc(F)cc1 587164103 WODJDPYHLHTZPW-UHFFFAOYSA-N 417.337 5.779 0 1 HKAF Fc1ccc(-c2cnn(Cc3nc4cc(Cl)cc(Br)c4[nH]3)c2)cc1 587165518 YJUJTPDZDUHCEN-UHFFFAOYSA-N 405.658 5.030 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(c3ccccc3)Oc3ccc4ccccc4c31)O2 587406681 DBNQDLSFFKFKIM-NDEPHWFRSA-N 419.480 6.025 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1Cl)(C1CC1)[C@@H](C2)C3=O 587412250 IDSFWNWGGFQIKB-YWZLYKJASA-N 419.702 5.164 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](C1(c3cccc(Cl)c3)CCOCC1)CC2=O 587459429 DIPYOEZBIPUGSY-NRFANRHFSA-N 400.902 5.080 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCc1ccccc1F)CC2=O 587467250 PQMZKQQFVRPKHX-DEOSSOPVSA-N 406.453 5.769 0 1 HKAF O=C1C[C@H](c2cccc3c2cnn3[C@H]2CCCCO2)Oc2c1ccc1c2CCCC1 587517385 MFKUYLOTOXNOJH-DNQXCXABSA-N 402.494 5.321 0 1 HKAF CC[C@]1(c2cc(Br)c(C)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587530262 DLVZXBGLUWUXAI-HXUWFJFHSA-N 405.357 5.969 0 1 HKAF Cc1cc(C)cc(OCc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)c1 587533740 SWDCDLNXUABYCD-RUZDIDTESA-N 402.490 6.061 0 1 HKAF CC1(C)Cc2nc(Cl)ccc2[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587551577 HFKHSVZZWNIUAP-GBXCKJPGSA-N 421.880 5.270 0 1 HKAF C[C@]1(C(c2ccccc2)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600278 NPMVHQKJMGIIMO-LEAFIULHSA-N 422.480 5.945 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cccc(C(F)(F)F)c3)c2c1 587642726 VBZDTGSUPNXWQF-NSHDSACASA-N 413.361 6.950 0 1 HKAF Cc1cc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c2cccc(C)c2n1 587657333 UIZGRTAMTSBWJF-UHFFFAOYSA-N 413.427 5.496 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2)(C(F)(F)F)N1 587708784 DMWGGPOMOMTSID-JDNHERCYSA-N 406.192 5.067 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)cnc2Cl)N1 587712921 MCOYXNNMBMYJPS-WJWGPLDTSA-N 423.635 5.279 0 1 HKAF Cc1cccc2c3c([nH]c12)[C@@]1(CCC3)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800572 BRGGZLDCVNDMGM-XMHCIUCPSA-N 413.334 5.492 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)COC(C)(C)O3)N1 587828869 ANUWSYDYBFIMBS-LAJNKCICSA-N 420.322 5.031 0 1 HKAF Cc1ccc(C(C)C)c2c1[C@@]1(CCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587833995 JLZQPTZXEJNBQS-PEBXRYMYSA-N 418.350 5.580 0 1 HKAF CSc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 587844564 LMUSJKMQRSNVHQ-YPMLDQLKSA-N 414.771 5.761 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(C3CCCCC3)s2)N1 587855350 UYTFGISKCGEMQS-ZMZPIMSZSA-N 409.368 5.716 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1c[nH]c2ccccc12 587858749 AZAQKWIMKHRHAH-UHFFFAOYSA-N 400.265 5.425 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)N[C@@H]1CCC[C@@H](C)[C@@H]1C 587864640 QUOGRIXCJAFAMH-DVOMOZLQSA-N 411.493 5.125 0 1 HKAF COc1ccc(-c2ccc(-c3nc4ccc5c(c4[nH]3)CCCC5)c(O)c2)cc1OC 587926540 IRJDSDVFCRPQEF-UHFFFAOYSA-N 400.478 5.499 0 1 HKAF FC(F)(F)Sc1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 587950742 UJHSPZZNWGGDFF-UHFFFAOYSA-N 400.425 6.558 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-n3nccn3)c2)cc(-c2ccc3occ(C)c3c2)n1 653778387 GYUUJMFOZVQZKV-INIZCTEOSA-N 410.481 5.260 0 1 HKAF CC1(C)CC[C@@]2(NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c2ccccc21 962962459 VMMWPHIRJYRMFS-XMMPIXPASA-N 415.499 5.672 0 1 HKAF COc1ccc([C@@]2(c3ccc(C)cc3)c3cccc(Br)c3CCN2C)cc1 963279626 HPPKOWBJPXZERE-DEOSSOPVSA-N 422.366 5.546 0 1 HKAF Clc1cccc([C@@H]2CC(c3ccc4c(c3)OCO4)=NN2c2ccccc2)c1Cl 1772643200 HEFQPPRLVCDKRZ-IBGZPJMESA-N 411.288 6.078 0 1 HKAF O=C1[C@H](c2cccc3ccccc23)Oc2cc(F)ccc2N1Cc1ccc(F)cc1 1857647031 QAEXFEJPAXZJRO-DEOSSOPVSA-N 401.412 5.785 0 1 HKAF CC(C)[C@@]1(C[C@@H](C)[C@@H]2CC[C@@H]3C4=CC[C@@H]5C[C@H](N)CC=C5CC4=CC[C@]32C)C=NCC1 2356399928 KQZKJUXZBIWAKG-JHHXILEDSA-N 420.685 6.876 0 1 HKAF CC(C)CCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21CO 2356784956 QTQKNZXEFYEVDA-QYQOFFCXSA-N 418.662 5.764 0 1 HKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5COC(=O)[C@H]54)C3=CC[C@@H]12 2356792696 KBLMWKUJRWQIBA-MMEZBBFYSA-N 412.570 5.228 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CC[C@@]1(C)[C@@H]2CC=C[C@@H](C)[C@@]2(C)CC[C@H]1C 2356814289 BZPUVAUDVNJIJI-NQFJMFOUSA-N 423.649 5.654 0 1 HKAF COc1ccc(Cl)cc1C[C@@]1(C)C(=O)Nc2ccc(-c3ccccc3OC)cc21 61903709 LEKVNIZMTPKXIV-XMMPIXPASA-N 407.897 5.477 0 3 HKAF N[C@H](Cc1ccc(F)cc1)c1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1 61908721 XRDAWOCIXQEBIO-OAQYLSRUSA-N 417.509 5.499 0 3 HKAF Cc1cc(C)cc([C@@H](O)/C=C2\C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 3791029 OZBJHOWASPNNLC-IUVUIZDSSA-N 423.600 6.190 0 1 HKAF CCCCCN(CCC12CC3CC(CC(C3)C1)C2)C(=O)NCCCc1ccncc1 3955375 AIUJHENHBJHHMY-UHFFFAOYSA-N 411.634 5.823 0 1 HKAF Cc1ccc2nc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)sc2c1 11922339 CTWYFCWLZHLKTO-UHFFFAOYSA-N 410.502 5.710 0 1 HKAF CCCc1c(O)c(CCCOc2ccccc2)cc2c1C[C@H](CCc1ccccc1)O2 13453356 QKEWWNWANRHBTQ-DEOSSOPVSA-N 416.561 6.293 0 1 HKAF O=C(O)c1ccc(OCCCCc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 13727408 WXVSAXXCFPWDAY-UHFFFAOYSA-N 413.473 6.109 0 1 HKAF CCCCN1CCc2cc(C(=O)CCC3CCN(Cc4ccccc4)CC3)ccc21 13737834 OXEYNPROGKVXDG-UHFFFAOYSA-N 404.598 5.724 0 1 HKAF Cc1cc(C(=O)Nc2ccccc2-n2cccc2)nn1-c1cccc(C(F)(F)F)c1 26381750 RNFQLXFEZQNLBU-UHFFFAOYSA-N 410.399 5.243 0 1 HKAF COc1ccc(C(=O)[C@H](Nc2ccc(Cl)cc2Cl)c2ccccc2C)cc1O 26482605 OOJDWFNZMDXOKN-OAQYLSRUSA-N 416.304 6.052 0 1 HKAF CCCc1c(O[C@@H](c2ccccc2)c2ccc(C(=O)O)cc2)ccc(C(C)=O)c1O 27892454 UXZCSGDVSFRJLG-DEOSSOPVSA-N 404.462 5.414 0 1 HKAF C[C@H]1[C@@H]2Cc3ccc(Nc4ccc(C(F)(F)F)cc4)cc3[C@@]1(C)CCN2CC1CC1 27988531 CKJUZFCBVAZGEM-ZCWWJEROSA-N 414.515 6.383 0 1 HKAF COc1ccc(OCCC[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 33493851 LPKGZNSPYVYLGM-MRXNPFEDSA-N 405.325 5.842 0 1 HKAF CN(CCc1ccccn1)Cc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1 45323981 LAVGCTDAPZSZNG-UHFFFAOYSA-N 424.573 6.028 0 1 HKAF Cc1cc(OCCCCCc2cccnc2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 49035517 DSAGOLYHZLUNNI-UHFFFAOYSA-N 403.501 6.173 0 1 HKAF Clc1ccc(-c2ccc3nccc(Nc4ccc(N5CCOCC5)cc4)c3c2)cc1 58502164 PIFRWBJSCGGTHH-UHFFFAOYSA-N 415.924 6.135 0 1 HKAF C[C@@H](c1ccccc1)N1CCC(N[C@@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72101426 PSQZBUSVRQAYIV-BVZFJXPGSA-N 423.963 5.779 0 1 HKAF Fc1ccc(N2CCN(Cc3coc(-c4ccc(Cl)cc4Cl)n3)CC2)cc1 72180099 KNFKZDOAIZLRDC-UHFFFAOYSA-N 406.288 5.110 0 1 HKAF CC[C@H](C)Nc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccc(F)cc2)n1 82141702 XEZSDZCMJQASOI-SFHVURJKSA-N 420.532 5.544 0 1 HKAF Cc1oc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccccc2)nc1-c1ccccc1 82162777 GFQFJCDOPCISCJ-FQEVSTJZSA-N 412.493 5.365 0 1 HKAF CCCCCn1c(-c2cccc(O)c2)nc2c(NCCc3cccc(F)c3)ncnc21 82179478 MJZARYLWCJXMCF-UHFFFAOYSA-N 419.504 5.183 0 1 HKAF O=C(Oc1ccccc1)[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(Cl)c(Cl)c1)CN32 100809667 BTRDJLBCRUKQNT-QDKPUUAOSA-N 414.332 5.465 0 1 HKAF CCOC(=O)/C(=C\Nc1ccc(F)cc1F)c1ccc(OCc2ccccc2)cc1 101712927 YTHAKRSTBJUXOM-QNGOZBTKSA-N 409.432 5.560 0 1 HKAF CCC(=O)C[C@H]1c2cc(Cl)ccc2N=C(n2cncn2)N1c1ccc(Cl)cc1 103176714 FMEABQWGBSQRRL-IBGZPJMESA-N 414.296 5.051 0 1 HKAF Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(=O)O 103231078 MBRVQYJFGUVGKD-DYESRHJHSA-N 412.551 5.248 0 1 HKAF CC[C@@H](Nc1ccc(C)c(CN2CC(C(=O)O)C2)c1C)c1ccc(Cl)c(C)c1 118394314 LHTHMFCDLKNEQL-OAQYLSRUSA-N 400.950 5.345 0 1 HKAF C[C@@H]1[C@H](c2ccccc2)O[C@@H](c2ccccc2)C[C@@]12NC(=S)NN2c1ccccc1 169305353 HXGODZIWQXKTCE-RXFVGMGFSA-N 415.562 5.121 0 1 HKAF CCCCc1nnc([C@@H]2C(C)=Nc3ccnn3[C@H]2c2ccc(Cl)c(Cl)c2)o1 169722351 HDVMLGABIRENIG-MSOLQXFVSA-N 404.301 5.395 0 1 HKAF Cc1cccc([C@H](NC(=O)c2ccc3cccnc3c2)c2ncccc2C(F)(F)F)c1 205242383 NYPSHWNPJKZMIX-NRFANRHFSA-N 421.422 5.476 0 1 HKAF CC(C)=CCc1c(O)cc2oc(-c3ccc(O)cc3O)c(/C=C\C(C)C)c(=O)c2c1O 238788052 JJCKBMOMTDDNBC-TWGQIWQCSA-N 422.477 5.460 0 1 HKAF CC(=O)N(C)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]21C 255273494 VPOYXIYUORUTSW-DBXCSBAUSA-N 402.667 5.442 0 1 HKAF N=c1ccn(CCCCCCCCCCCCCCCCn2ccc(=N)cc2)cc1 377819860 BKWZSKDREXZHMY-UHFFFAOYSA-N 410.650 6.410 0 1 HKAF Fc1ccc(-c2ccc(CCCNc3ccc(CN4CCCCC4)cc3)nn2)cc1 473096871 CFIVGUWEJMEWCY-UHFFFAOYSA-N 404.533 5.313 0 1 HKAF Clc1ccc2c(Nc3ccc4oc(=NCc5cccnc5)[nH]c4c3)ccnc2c1 474606227 HVGUUDIGXBZYNN-UHFFFAOYSA-N 401.857 5.202 0 1 HKAF O=Cc1ccc(OCc2occc2-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 586900766 LXLLYVXVJRZZMH-UHFFFAOYSA-N 404.319 5.372 0 1 HKAF c1csc(SCc2c(-c3nc4cc5c(cc4[nH]3)OCCO5)oc3ccccc23)c1 587010780 FYGSCVJAKJTRNH-UHFFFAOYSA-N 420.515 6.101 0 1 HKAF Clc1cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2c(Cl)n1 587050831 UHLNKNNAJBYENV-UHFFFAOYSA-N 424.718 7.405 0 1 HKAF Cc1cc(Br)cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 587063049 LPOUINITTYKCBH-UHFFFAOYSA-N 411.730 6.545 0 1 HKAF FC(F)(F)c1nc2ccncc2cc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587116199 STKYKCIEORWVPQ-UHFFFAOYSA-N 406.367 5.984 0 1 HKAF CSc1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 587116819 KTDLIVPKZHKGIA-UHFFFAOYSA-N 400.857 5.274 0 1 HKAF Fc1cc(CCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc(F)c1F 587138069 FAUUOESJDHTASJ-UHFFFAOYSA-N 409.436 6.042 0 1 HKAF O=C(O)c1cc(F)cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c12 587140920 JGHREAOYQHLRLJ-UHFFFAOYSA-N 414.408 5.638 0 1 HKAF CC(C)CCOc1cc2nc(/C=C\c3ccc(F)cc3F)[nH]c2cc1Br 587149177 MMCGTOKUPGMEMO-XQRVVYSFSA-N 421.285 6.199 0 1 HKAF COc1cccc(-c2c(C)c(-c3cc(F)c(F)cc3F)nc3c2oc2ccccc23)c1 587360065 KNRNZPFYYFHBQH-UHFFFAOYSA-N 419.402 7.049 0 1 HKAF COc1cccc(-c2cc(-c3cc4c(cc3O)CCCC4)nc3c2oc2ccccc23)c1 587367646 XPJCLLBXSYZRNU-UHFFFAOYSA-N 421.496 6.908 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(OC)cc3)cc1)CC2=O 587478271 IRZROPOSMUYGLV-VWLOTQADSA-N 418.489 5.639 0 1 HKAF COc1ccc(Br)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587505740 VJSXYAFRVPHDGF-NRFANRHFSA-N 401.300 5.217 0 1 HKAF O=C1C[C@H](c2ccccc2OCc2ccccc2Cl)Oc2c1ccc1c2CCCC1 587510215 XLLFURGVNACLOI-RUZDIDTESA-N 418.920 6.504 0 1 HKAF C[S@](=O)c1ccccc1-c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587532076 KRVHISPPAUCDIG-HLADLETHSA-N 416.542 5.676 0 1 HKAF C[C@@]1(c2c(F)ccc(Cl)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587556370 JMQVXUXCWAZECD-UWJYYQICSA-N 402.780 5.201 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)N(C)c1ccccc1 587625265 DXNVDYPEGUTURZ-UHFFFAOYSA-N 400.322 5.791 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccccc3nc2Cl)N1 587704270 JANCUEMONLUURW-YPMLDQLKSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)ccnc2Cl)N1 587708041 XNPSXXCKCIERIA-ZKANADHPSA-N 404.110 5.088 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)ccc2Cl)N1 587711236 IWRFQJMKKXZWHA-VPTHRUTESA-N 422.647 5.884 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2C(F)(F)F)N1 587712102 NXDJEOUMIXICGW-ZKANADHPSA-N 422.647 5.884 0 1 HKAF COc1c(F)cc(CC[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587722946 USKVDXZITRFRCK-QFYYESIMSA-N 414.265 5.083 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3[nH]c4ccc(F)cc4c32)N1 587727031 BGCKZWZWMSFXHG-MQJDWESPSA-N 417.297 5.323 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(F)cc2)N1 587729764 DGCDTKKEPUEEHF-PEBXRYMYSA-N 414.293 5.553 0 1 HKAF Fc1cc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2cc1C(F)(F)F 587784143 MVPWDLNDTRUVAL-DHZHZOJOSA-N 412.386 6.470 0 1 HKAF CC(C)C[C@]1(CCc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587810169 CCBNVKCUDLZYRE-AOMKIAJQSA-N 404.367 5.997 0 1 HKAF CCCCCc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587814007 FICAKZQLWAYJRC-OYHNWAKOSA-N 404.367 6.119 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccsc3)s2)N1 587844559 BTSGDATXHGWYRX-YPMLDQLKSA-N 408.361 6.002 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Nc1ccc2c(c1)OCO2 587859996 KTQQPSSLLCYOHK-UHFFFAOYSA-N 420.252 5.065 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2ccccc2)cs1 587861511 SFWNFVKFBZUJNQ-UHFFFAOYSA-N 416.333 6.368 0 1 HKAF COc1ccccc1-c1cc(O)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1O 587944499 DCBMRIBHEGQJPP-SFHVURJKSA-N 407.441 5.529 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc2c1 587965047 MTFDXBPXCINVNX-UHFFFAOYSA-N 411.265 6.184 0 1 HKAF CCCC[C@@H](CNC)N1CCN(CCC23CC4CC(CC(C4)C2)C3)[C@H]([C@H](C)CC)C1 653723975 WNUIPHOLXVRYFV-VSRNDRCXSA-N 417.726 5.403 0 1 HKAF Cc1cc(N2CCCCC2)nc(NCCCCNc2ccnc3cc(Cl)ccc23)n1 653886003 TXCQMKMODQCWKV-UHFFFAOYSA-N 424.980 5.281 0 1 HKAF COc1ccccc1[C@@]1(c2ncccc2C)c2ccsc2CCN1Cc1ccco1 962714967 SLGPFJPWSGNOOO-VWLOTQADSA-N 416.546 5.403 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2nn(-c3ccc(OC)cc3)c3ccccc23)N1 962955069 LXEIUIZGZHXUHO-SOKVYYICSA-N 422.532 5.529 0 1 HKAF Cc1ccnc2c1CCN[C@@]2(CCc1cccc(Cl)c1)c1ccc(F)c(Cl)c1 963072757 VCSGFOJXNSTCBA-QHCPKHFHSA-N 415.339 5.858 0 1 HKAF CC1(C)CC(=O)C(C[C@@]2(c3ccccc3)c3ccc(F)cc3C[C@H]3CCCN32)C(=O)C1 963106332 RKUDLJXQKPPFHQ-JIPXPUAJSA-N 419.540 5.054 0 1 HKAF Cc1ccccc1[C@@]1(CCCCCC(=O)O)NCCc2c(Cl)cc(Cl)cc21 963108406 LUWMBMMNHDCPCD-JOCHJYFZSA-N 406.353 5.726 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CS(=O)(=O)c1ccccc1)c1ccccc1 963241142 LULICSJYBXNHSG-RLWLMLJZSA-N 419.590 5.061 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCCCCC(=O)OCC)c1ccc(C)cc1 963243572 SQCPUZAIZAIHIZ-LXFBAYGMSA-N 421.625 6.409 0 1 HKAF Cc1ccc([C@]2(C(C)(C)C)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1 963832076 KPSGOJWFHJJTBP-LJAQVGFWSA-N 424.588 6.491 0 1 HKAF c1ccc2c3c([nH]c2c1)[C@@H](c1ccc([C@H]2NCCc4c2[nH]c2ccccc42)cc1)NCC3 1772626401 GJTGJNVSYAVKRP-CLJLJLNGSA-N 418.544 5.119 0 1 HKAF O=C(O)c1ccccc1Nc1c(Cl)cc(-c2ccc3ccccc3c2)cc1Cl 1857578733 NNKHYIUDMNMQPC-UHFFFAOYSA-N 408.284 7.255 0 1 HKAF Fc1ccc(-c2nc(-c3nnnn3Cc3ccccc3)cc3c2[nH]c2ccccc23)cc1 1857584471 MMAKLTRZWCGJMX-UHFFFAOYSA-N 420.451 5.224 0 1 HKAF Oc1ccc2cc1Oc1cc(ccc1O)CC[C@H](NCCc1ccccc1)CCCC2 1857599184 XGESKSVGCNQPST-HSZRJFAPSA-N 417.549 5.750 0 1 HKAF CCN1CCN([C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccn2)CC1 1857601769 WLWZCLIYGFDPGU-QHCPKHFHSA-N 409.618 5.109 0 1 HKAF O=C1/C(=C\c2ccccc2)S[C@@H](c2ccc(-n3ccnc3)cc2)N1Nc1ccccc1 1857761606 DWGXZSVLPKTNRT-QXHVWWCLSA-N 424.529 5.515 0 1 HKAF CC(C)=CCC[C@@](C)(O)C=CCC(C)=CCC[C@@]1(C)C=Cc2cc(O)cc(C)c2O1 2356450073 HNPKTDKTYUBNFK-SXOMAYOGSA-N 410.598 7.035 0 1 HKAF C[C@@H]1C=C2[C@@]3(C)CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]2(C)[C@H]2CC(C)(C)CC[C@H]12 2356497987 FXOCQCYCKZXBIJ-INFYBUELSA-N 424.713 8.233 0 1 HKAF CC(=CCCc1coc(Cc2ccoc2)c1)CCC[C@@H](C)C[C@H]1OC(=O)C(C)=C1O 2356566531 KXCGKQKQHXCUKP-WZONZLPQSA-N 412.526 6.296 0 1 HKAF CC1(C)CC[C@]2(C)CC=C3[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@]34C)[C@H]2C1 2356602897 OZQWSBFSSQJLEC-FYQMBNQKSA-N 410.686 7.987 0 1 HKAF CN[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3CC[C@@H]4C(=CC3=C[C@]12C)CC[C@@H]1N(C)COC[C@]14C 2356703973 CLOHFGOUJBKJFY-KLVMFCSPSA-N 412.662 5.388 0 1 HKAF COc1cc2c(c(OC)c1-c1ccc3cc(C)cc(OC)c3c1O)[C@@H](C)N(C)[C@H](C)C2 2356756336 SJNZZGIFTLOUDH-HZPDHXFCSA-N 421.537 5.484 0 1 HKAF CCCC=C1OC(=O)C2=C[C@H]3CC[C@@]12[C@@H]1C2=C4C(=C(CCC)CC[C@@H]4C[C@H]31)OC2=O 2356776263 VPEHIGFAAWYYPW-AUMFWLEJSA-N 406.522 5.517 0 1 HKAF COc1cccc(-c2oc3c(c2-c2ccc(Br)nc2)[C@@H](O)CCC3)c1 95571479 IUQLYIMUCGEBQT-HNNXBMFYSA-N 400.272 5.149 0 3 HKAF Cc1ccc(C(=O)N2CC[C@@H]3CC(=O)[C@@H](Cc4ccccc4)[C@@H]4CCC[C@H]2[C@@H]34)cc1 211061711 GFNOFVWWWZUVNL-VEGWMBEDSA-N 401.550 5.074 0 3 HKAF c1ccc(C(CCc2nc(CCNCCCc3ccccn3)c[nH]2)c2ccccc2)cc1 13530317 DIUDRONPOGVOHE-UHFFFAOYSA-N 424.592 5.334 0 1 HKAF CCCCc1ncc(/C=C(\Cc2ccccn2)C(=O)O)n1Cc1ccccc1Cl 13728173 BHODJCDBFDKQGT-NBVRZTHBSA-N 409.917 5.033 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 26271259 MIVMEEFEXYNASB-LSOVEPOESA-N 418.662 5.763 0 1 HKAF Cn1c2c(c(=O)c3cc(Cl)ccc31)C(=O)C[C@H](c1ccc(Cl)c(Cl)c1)C2 27087931 NGBMYZBZTIIDLG-LLVKDONJSA-N 406.696 5.411 0 1 HKAF COc1ccc(C2CCN(CCCCCNC(=O)/C=C/c3ccc(F)cc3)CC2)cc1 28957578 CXNIDAVJRCRYMC-VGOFMYFVSA-N 424.560 5.014 0 1 HKAF CCN(CC)CCNc1nc(Nc2ccc(C(F)(F)F)cc2)c2ccccc2n1 29203991 BVKSYDHPCUYJRY-UHFFFAOYSA-N 403.452 5.146 0 1 HKAF COc1ccccc1Cc1cnc(CCc2ccc(-c3ccccc3C(=O)O)cc2)[nH]1 49047938 GGCIRWSFNZPXCN-UHFFFAOYSA-N 412.489 5.160 0 1 HKAF COc1cccc(-c2ccc3c(c2)CO[C@@]3(CCCN(C)C)c2ccc(F)cc2)c1 58540736 IKWQFLAKQWTTGU-SANMLTNESA-N 405.513 5.617 0 1 HKAF Cc1cc(CNCCC2=CCCCC2)ccc1N1CCCc2cc(C(N)=O)ccc21 66251465 YDNWOYMILPCFGF-UHFFFAOYSA-N 403.570 5.158 0 1 HKAF Cc1oc(-c2cnc(N(C)CC(C)C)nc2-c2ccccc2F)nc1-c1ccccc1 82175297 OFZXQYJXMVHMGS-UHFFFAOYSA-N 416.500 6.005 0 1 HKAF CSCC[C@H](Nc1nc(-c2ccc(C)cc2)cs1)C(=O)NC1CCCCC1 82191888 AXSVVPJRQHUEPC-SFHVURJKSA-N 403.617 5.101 0 1 HKAF COc1c/c(=C2\C=CC=N2)[nH]/c1=C\c1[nH]c2cc1[C@@H](CC(C)C)CCCCCCCC2 83921338 FZOGNJSRIPZZCX-PNMVQUNNSA-N 419.613 5.346 0 1 HKAF in-vitro COc1ccc(C2=NO[C@@H](c3c(C)nn(-c4ccccc4)c3-c3ccccc3)C2)cc1 103219486 YRUWGFHMOAEHCB-XMMPIXPASA-N 409.489 5.722 0 1 HKAF CC(C)C1=C(C[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)[C@H]1C 137593249 LTSPMIHIWVJPLS-VCFYBNJBSA-N 412.702 7.635 0 1 HKAF NC1(c2ccc(-c3nc4ccc(-c5ncc[nH]5)cn4c3-c3ccccc3)cc2)CCC1 168200478 AZAFWIPEROVPFZ-UHFFFAOYSA-N 405.505 5.396 0 1 HKAF O=C(O)C1(Sc2ccnc3ccc(-c4cccc(C(F)(F)F)c4)cc23)CCC1 220402891 JJNMSSOOUCYJLO-UHFFFAOYSA-N 403.425 6.020 0 1 HKAF O=[S@@](c1ccccc1C(F)(F)F)c1c(O)c(-c2cccnc2)cc2ccccc12 299833340 KQGICBXGZDTONC-LJAQVGFWSA-N 413.420 5.793 0 1 HKAF C[C@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1)c1ccc(F)cc1 299885727 VXIZISJDKXZYAZ-VSUDMRMVSA-N 422.887 5.448 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4[nH]c(-c5ccc(C6CCC6)cc5)nc4c3)o2)cc1 586878786 ASDJAZJVAWYNLI-UHFFFAOYSA-N 422.488 6.223 0 1 HKAF FC(F)(F)Oc1cc(Br)c2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 586882861 CLUZLYKRBSFRLG-RVOMIOKESA-N 415.253 5.692 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4cc(Br)c(OC(C)C)cc4[nH]3)cc2)o1 586903621 RHAKGQLHYSXEDT-UHFFFAOYSA-N 411.299 6.348 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2ccc(Cl)cc2[nH]1 586981769 OCMZLIDYLAHYEO-UHFFFAOYSA-N 407.739 6.605 0 1 HKAF COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1C(C)(C)C 586991971 LSDIUEQSHAJJCP-UHFFFAOYSA-N 409.485 6.125 0 1 HKAF Oc1nncc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c12 587013386 NRWVIRIRSKWBOT-UHFFFAOYSA-N 419.897 5.093 0 1 HKAF CCc1ccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2c1 587019052 UFASUVZKFXFEII-UHFFFAOYSA-N 416.377 6.882 0 1 HKAF N[C@H](Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccccc1Cl 587058576 XHQPDBCGBLOSFS-GFCCVEGCSA-N 418.644 5.240 0 1 HKAF CCCOc1cc2nc([C@@H](CC)Oc3ccccc3Cl)[nH]c2cc1Br 587061759 JSOGJHACXYEOTJ-MRXNPFEDSA-N 423.738 6.298 0 1 HKAF Cc1c(Br)cc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1C 587073432 IOKWNADRDOJIRB-SFHVURJKSA-N 418.766 5.933 0 1 HKAF Cc1ccc2c(ccc3nc(/C=C(/CCc4ccc(Cl)cc4)c4ccccc4)[nH]c32)n1 587073821 PAVRPFHNEKMTTH-FXBPSFAMSA-N 423.947 7.246 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(F)cc(Br)c2[nH]1 587076599 XIWAQYMBNXPUKX-UHFFFAOYSA-N 405.658 5.279 0 1 HKAF Cc1csc([C@@](O)(Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)C(F)(F)F)n1 587094052 IYAVGGLWGCVCQT-IBGZPJMESA-N 419.428 5.113 0 1 HKAF CCOC(=O)c1ccc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1 587129910 OGWRBPKZIHTEMC-SSDOTTSWSA-N 418.778 5.074 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4ccc(C(=O)N(C)C)cc4[nH]3)cc2F)c1 587143062 KOKWZPLWOOOHEF-UHFFFAOYSA-N 423.875 5.400 0 1 HKAF Cc1ccc(NC2(c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)CCCC2)cc1 587237505 ROYWYRGZGQIUBA-UHFFFAOYSA-N 424.573 7.029 0 1 HKAF COc1cccc(Cl)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328456 UOYJZLPGHDGTRS-REWPJTCUSA-N 412.844 5.468 0 1 HKAF COc1cccc([C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587347581 FIMNTMOXSYPNBO-ILBGXUMGSA-N 404.437 5.204 0 1 HKAF C[C@]1(c2ccccc2)CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587353218 OFVKFIGMIAMAIO-RNXOBYDBSA-N 402.465 5.771 0 1 HKAF CC[C@]1(c2ccc3c(c2)CCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358577 PXPGIBQOLUHNFZ-ILBGXUMGSA-N 404.437 5.131 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](CCc2ccccc2)CC3)c1 587366372 LRBNWDUPZDCBMV-HXUWFJFHSA-N 419.524 7.319 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1ccccc1Cl)CC2=O 587461048 JFHIONBODCOUHY-VWLOTQADSA-N 406.909 6.216 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCc1ccccc1Cl)CC2=O 587463417 WTWLGIHXXSAWDH-XMMPIXPASA-N 422.908 6.284 0 1 HKAF CC(C)Oc1cc(Br)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587496215 HOOTYVMZIVOYER-NRFANRHFSA-N 415.327 5.822 0 1 HKAF COc1cccc([C@@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587509735 WUIJAPAKSFFDKZ-AREMUKBSSA-N 418.920 6.136 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512572 YSQPIMDICYUMJU-JTHBVZDNSA-N 421.537 5.035 0 1 HKAF COc1cc(C2CCOCC2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587535877 OYDUKPHKJNGXAS-QHCPKHFHSA-N 422.521 5.183 0 1 HKAF CC(C)[C@@]1(Cc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545604 HNPRCTCHTRJVSJ-XUZZJYLKSA-N 408.881 5.645 0 1 HKAF Cc1ccc(C(F)(F)F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548065 MXNIMONTZWXGOF-NQIIRXRSSA-N 400.352 5.422 0 1 HKAF C[C@]1(c2ccc3cccc4c3c2CC4)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603438 ONMDJJDADAZPOH-RPLLCQBOSA-N 408.453 5.521 0 1 HKAF Cc1ccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 587604397 WFPVTHFRICKCED-SHQCIBLASA-N 408.453 6.071 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccsc2)nc1 587616923 HHDOMMIKWAUSFK-NZQKXSOJSA-N 401.443 5.219 0 1 HKAF Clc1ccc(-c2c(-c3ccccn3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 587622010 UFUNVBXMMQSVMS-UHFFFAOYSA-N 423.701 6.189 0 1 HKAF CCOC(=O)Cc1[nH]c2ccc([C@@H](C)CC)cc2c1-c1cc(F)c(Cl)nc1Cl 587643066 RDTVHLLCIKZSFR-NSHDSACASA-N 423.315 6.295 0 1 HKAF CC(C)=C[C@@H]1[C@@H](C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)C1(C)C 587657181 XWKKUMQCIMPXST-XLIONFOSSA-N 408.448 5.220 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(Cl)ccc1CC2(C)C 587699000 PBGRUIVYPYJNDI-PRWKNARSSA-N 408.742 5.602 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(C(F)(F)F)c2F)N1 587710960 IDWHBRDCPLDAOK-QZTNRIJFSA-N 424.182 5.509 0 1 HKAF CCCCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587712945 APZQLFKLRDUQBK-YUNKPMOVSA-N 410.302 5.530 0 1 HKAF Fc1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1Br 587785219 YUVMKHXEPHHJGC-MDWZMJQESA-N 423.285 6.214 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)[C@]1(CCC3)N[C@@H](C)Cc2cc(Br)c(F)cc21 587805195 SILVAHWVDKRRMB-WHEQGISXSA-N 413.334 5.492 0 1 HKAF C[C@@H](Cc1ccc(C(C)(C)C)cc1)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587819311 LQUJFSWZYGXDCE-SMASLZHESA-N 418.394 6.340 0 1 HKAF Cc1ccc(-c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587828942 PCFYCHHLEFELAB-GTJPDFRWSA-N 400.291 5.780 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc3ccccc3o2)(C2CC2)N1 587833124 MAEHLFHNWMYWME-QKVFXAPYSA-N 400.291 5.522 0 1 HKAF CC(C)c1ccc2c(c1)[C@]1(CCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587836144 RTFOGEZHXGYQLZ-ZSEKCTLFSA-N 404.323 5.272 0 1 HKAF Brc1ccccc1CNn1c(-c2cccs2)ccc1-c1cccs1 587939403 CDKFPWXHHCNITJ-UHFFFAOYSA-N 415.381 6.451 0 1 HKAF CC1(C)CCC(C)(C)c2cc3c(cc21)O[C@@H]1CCCC[C@@]31c1ccc(C(=O)O)cc1 653737582 GNYIFRIYMYLWAP-YIXXDRMTSA-N 404.550 6.355 0 1 HKAF CC1(C)Cc2cccc([C@@H]3c4ccccc4C[C@H]4CN(c5ccccc5)CCN43)c2O1 962634294 IEFNGOWRHUABMO-OZXSUGGESA-N 410.561 5.236 0 1 HKAF C[C@@]1(c2ccc(Br)cc2N)c2ccsc2CCN1Cc1ccco1 962706215 IWWRNWUBEKEMTC-LJQANCHMSA-N 403.345 5.008 0 1 HKAF CCC[C@@]1(c2c(C)c3ccccc3n2C)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962731923 UXRZGWBYQWBASD-WMZHIEFXSA-N 414.471 5.176 0 1 HKAF CC(=O)N(c1ccc(C)cc1)c1nc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cs1 963103505 LBZCNPKCOZAHLP-NZQKXSOJSA-N 421.541 5.385 0 1 HKAF Cc1ccc(CC[C@@]2(C3CCC3)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1C 963218986 CFWVJBQVISPQDE-VPUSJEBWSA-N 414.549 5.079 0 1 HKAF Oc1ccc2c(c1)Oc1cccc(c1)CCc1ccc(O)c(c1)Oc1ccc(cc1)CC2 1772593195 RHTVBYAYWHIJLP-UHFFFAOYSA-N 424.496 6.566 0 1 HKAF CN1c2ccc(F)cc2C(=O)N2CCn3c(cc4cc(OC5CCCCC5)ccc43)[C@H]21 1857546127 YORYGRDKNWTDBG-DEOSSOPVSA-N 419.500 5.096 0 1 HKAF CCN(CC)CCCNc1nc2ccccc2nc1-c1nc2ccc(Cl)cc2o1 1857602173 DZGQYYYBXLHZOH-UHFFFAOYSA-N 409.921 5.235 0 1 HKAF O[C@@H](CNCc1ccc(-c2ccccc2)cc1)COc1cccc(Nc2ccccc2)c1 1911585749 OOXIDWAKDUZBSL-MHZLTWQESA-N 424.544 5.627 0 1 HKAF CCC=CCC=CC=C[C@H](O)CC=CCCCCC(=O)c1c(O)cc(O)cc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c1ccc(O)cc1 2356473803 QOCYQTFIOOTBKG-UHFFFAOYSA-N 410.598 7.538 0 1 HKAF CC(C)=CCCC(C)=CC[C@@]12CCN(C)[C@@H]1Nc1c2ccc(Br)c1O 2356553378 XZWZAEHOBMJOPL-SFTDATJTSA-N 405.380 5.562 0 1 HKAF COC(=O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCCCc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@H]1[C@H]2[C@H]43 2356684731 WUXZTXRLZQAUHL-KUVYWSEISA-N 420.549 5.178 0 1 HKAF CC(C)CC=C[C@@H]1C(=O)OC[C@]23CC[C@H]4[C@@H](C=CC5=C[C@@H](O)CC[C@@]54C)[C@@H]2CC[C@@H]13 2356743013 ULPXEYSCKDGTPP-UJDOIOMVSA-N 410.598 5.458 0 1 HKAF COc1ccccc1-c1ncn(Cc2cccc(-c3ccccc3)c2)c1-c1ccco1 95565984 VMKAUCCSFHYVHA-UHFFFAOYSA-N 406.485 6.534 0 3 HKAF COc1ccccc1CCn1cnc(-c2cccc(Br)c2)c1CC(C)C 198627963 GMVIEFCRWNRAFU-UHFFFAOYSA-N 413.359 5.762 0 3 HKAF O=C(N1CCCC[C@H]1c1ccccc1)n1cc(-c2ccc(-c3ccccc3)cc2)nn1 198959980 UFLRPDQCFNTLJP-VWLOTQADSA-N 408.505 5.807 0 3 HKAF CCc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccsc2)cc1 775347 ZFKZGHAWBOXDFL-UHFFFAOYSA-N 420.509 5.744 0 1 HKAF COc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NCc1ccccc1F 775386 DZXVDZZPIQUYDE-UHFFFAOYSA-N 420.415 5.225 0 1 HKAF COc1ccc(-c2noc(-c3ccc(C(C)C)cc3)c2C(=O)NC2CCCCC2)cc1 2480410 LLOVVKPZLPGTEP-UHFFFAOYSA-N 418.537 6.203 0 1 HKAF CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccccc2)cc1 4050604 MRCVHRWLMIBMDA-ZCYQVOJMSA-N 412.533 5.392 0 1 HKAF CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCc1ccccc1OC 4295215 KNCZRXAUMCMENE-NHCUHLMSSA-N 400.544 5.087 0 1 HKAF CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1 5837787 LYVVAVUBCFFZIU-HHHXNRCGSA-N 402.582 6.351 0 1 HKAF CC(C)Cc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(O)cc1 13558367 TYFQRZDATWBJPE-UHFFFAOYSA-N 400.478 5.522 0 1 HKAF CCCCCN(CCCCC)C(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc12 13644283 VDHUUIXPUOILDM-UHFFFAOYSA-N 424.633 5.118 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1cccc(F)c1)Oc1ccc(Cl)cc1-3 13777190 DZFWFWPEYUKVES-XMMPIXPASA-N 405.900 7.235 0 1 HKAF COc1ccc([C@@H]2N[C@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)cc1 13914943 ITLDIACTCBIPIB-ZCYQVOJMSA-N 420.516 5.543 0 1 HKAF CCCN(CCC)[C@@H]1CCc2cc(CCc3ccc(C(=O)OCC)cc3)ccc2C1 27327207 QZFDRUTWOSVQBO-AREMUKBSSA-N 407.598 5.628 0 1 HKAF CN(CCN(C)c1nc2ccc(Cl)cc2s1)c1nc2ccc(Cl)cc2s1 28903476 XSRKPQXLWRDCQJ-UHFFFAOYSA-N 423.394 5.785 0 1 HKAF COc1ccc(/C=C\[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)cc1 36425059 CMHYUFRDMXRNOT-JYERZOKYSA-N 404.550 5.701 0 1 HKAF Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccc(Br)cc1 45369541 DOYZIFKXIVWYCP-UHFFFAOYSA-N 405.679 5.343 0 1 HKAF CC(C)CC[C@@H](O)[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 59065419 ISBSSBGEYIBVTO-ANIKFLAESA-N 418.662 5.474 0 1 HKAF in-vitro Fc1cccc(F)c1CSc1nnc(-c2ccccn2)n1Cc1cccs1 66122848 KHZUAMJYYMJLCV-UHFFFAOYSA-N 400.479 5.020 0 1 HKAF Cc1[nH]c2ccccc2c(=O)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 84655085 RKMHINMEXBCMOM-UHFFFAOYSA-N 411.379 6.194 0 1 HKAF in-vitro Cc1csc(NC(=O)c2ccc(COc3cccc(Oc4ccccc4)c3)o2)n1 95755613 KPWGTSWXVGDTHU-UHFFFAOYSA-N 406.463 5.668 0 1 HKAF CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(Cl)cc3)cc2)c1Cl 103184435 ZCJYNFNJUQPDSI-UHFFFAOYSA-N 404.297 5.012 0 1 HKAF CN(C)c1cc[n+](CCCCCCCCCCCCn2cnc3ccccc32)cc1 169327283 FCHDXPHMUXVBNA-UHFFFAOYSA-N 407.626 5.991 0 1 HKAF CN1CCCCCCCCCC(=O)OC[C@H]2[C@H](C[C@@H]3CC[C@@H]2N3C)c2ccc1cc2 169362325 GFWKSCDPOYKBDG-NDBXHCKUSA-N 412.618 5.367 0 1 HKAF COc1cccc2c1O[C@@H](CN1[C@@H]3C=C(c4ccc5ccccc5c4)C[C@@H]1CC3)CO2 169373098 JOHWPBIJXSBHPU-HJOGWXRNSA-N 413.517 5.309 0 1 HKAF Cc1cccc(NC(=O)Nc2ccc(-c3cncc4[nH]nc(N)c34)c3ccccc23)c1 205441361 JCKMPGSSOFUEAB-UHFFFAOYSA-N 408.465 5.313 0 1 HKAF CC(C)c1ccc(Nc2nc3cc(C(=O)O)ccc3n2[C@H]2C[C@@H](C)CC(C)(C)C2)cc1 584905017 GWMNDWCQEWDFPA-UTKZUKDTSA-N 419.569 6.989 0 1 HKAF in-vitro Cc1ccc([C@H](C)[C@H](O)c2nc3c(Br)ccc(Br)c3[nH]2)cc1 586889256 LYQOTORBXPWMTH-QFYYESIMSA-N 424.136 5.233 0 1 HKAF COc1cccc2[nH]c(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nc12 586984940 WMJCLUJPIHQABK-UHFFFAOYSA-N 422.282 5.253 0 1 HKAF Cc1cc2c(Br)ccc(-c3nc4cccc(Br)c4[nH]3)c2o1 587004201 PRHRQFRVCIWREO-UHFFFAOYSA-N 406.077 5.810 0 1 HKAF CC(C)Oc1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cc1Br 587018235 WSUQVCUPBUYOKP-UHFFFAOYSA-N 418.316 5.420 0 1 HKAF COc1cc(/C=C\c2nc3ccc(C(C)(C)C)nc3[nH]2)cc(Cl)c1OCC(C)C 587046781 MBVSEIAKJJINJD-YFHOEESVSA-N 413.949 6.123 0 1 HKAF O=C(Nc1ccccc1Cl)c1nc2c(Br)cc(C(F)(F)F)cc2[nH]1 587060491 NVANASYHLACKCK-UHFFFAOYSA-N 418.600 5.250 0 1 HKAF COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1Br 587102784 YETLQVBMSHBDRU-UHFFFAOYSA-N 416.274 5.884 0 1 HKAF CC1CCN(c2ccc(N)c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2)CC1 587103897 BZTHEMHOYKXDKY-UHFFFAOYSA-N 419.528 5.932 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CC[C@@H](c3ccc(F)cc3)C2)[C@H]1c1ccc(F)cc1 587332832 KBRQKEHWBGGZPI-LAMXGVLKSA-N 406.428 5.736 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2Cc2ccccc2)[C@H]1c1ccc(F)cc1 587351736 GZNMJGNFAVCRQH-YLORPAJWSA-N 402.465 5.672 0 1 HKAF CCc1ccc2oc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2c1 587358803 XMXRUWNCOROWLB-RSXGOPAZSA-N 416.448 6.114 0 1 HKAF COc1cccc(-c2cc(-c3ccc(Cl)nc3C)nc3c2oc2ccccc23)c1 587360542 PVCYOMYTSIYCSD-UHFFFAOYSA-N 400.865 6.680 0 1 HKAF COc1cccc(-c2cc(-c3cnn(-c4ccccc4)c3)nc3c2oc2ccccc23)c1 587362845 IRGICEQXZGBBEP-UHFFFAOYSA-N 417.468 6.509 0 1 HKAF COc1cccc(-c2cc(-c3cccc4cnccc34)nc3c2oc2ccccc23)c1 587364289 ZQLABQXYQHYRSJ-UHFFFAOYSA-N 402.453 6.872 0 1 HKAF CCSc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587370886 YKUNJFIFGTXJGI-VWNXMTODSA-N 408.494 5.918 0 1 HKAF C[C@]1(c2cc3ccccc3s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587376970 ZIKYWFJIQLNCGC-LADGPHEKSA-N 404.462 6.020 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(SC)sc(SC)c1CO)CC2=O 587490576 HVEUHGPVJJMERY-OAHLLOKOSA-N 410.582 5.049 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cccs1)([C@H]1O[C@H]1c1ccccc1)CC2=O 587492872 CYKZFSOVUCVLFB-OEMFJLHTSA-N 406.503 5.407 0 1 HKAF C[C@@]1(c2cc(Cl)cc(OC(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587504502 JDNGLYFBOGTDSN-FQEVSTJZSA-N 410.819 5.998 0 1 HKAF CCOC(=O)CCC[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587504679 NAKRWJMFDNWFNL-RUZDIDTESA-N 410.485 5.299 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1Cc1ccccc1F 587570321 VHWFTIWALJJGCN-RCZVLFRGSA-N 415.420 5.084 0 1 HKAF Nc1ccccc1[C@@]1(C2CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581993 YGIXNFWKIVPGTR-WIOPSUGQSA-N 401.462 5.022 0 1 HKAF COc1ccc2cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2c1 587599853 IFVBQJVAAODAPS-OZXSUGGESA-N 412.441 5.431 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1c(Cl)cccc1Cl 587625182 DNSGNXPTZQDYRP-UHFFFAOYSA-N 412.160 7.488 0 1 HKAF Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 587676597 HOXSUCNIIAIMIJ-BTDLBPIBSA-N 413.128 5.283 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(Cl)nccc3c2)N1 587702530 DNQLCUGMJGFWSJ-MLCYQJTMSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cc(F)c(Cl)c2F)N1 587720816 OERPEHHREVOZPH-MUCOVADDSA-N 408.620 5.283 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3)c(F)c2)N1 587724458 ICUSDOBJPBDADJ-WHEQGISXSA-N 414.293 6.018 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2[nH]c2ccc(F)cc32)N1 587727769 DHJAMVFNHCMCRV-WSVYEEACSA-N 417.297 5.323 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccccn3)cc2)N1 587771482 LWLFWXHKVJHJDW-LRTDBIEQSA-N 413.290 5.399 0 1 HKAF Fc1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1Br 587785218 YUVMKHXEPHHJGC-JYRVWZFOSA-N 423.285 6.214 0 1 HKAF CCCCCCC1(CCCCCC)N[C@H](C)Cc2cc(Br)c(F)cc21 587812837 LDMODYWWZJDLBQ-QGZVFWFLSA-N 412.431 7.259 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCSc3c(Cl)cccc32)N1 587857888 NHUWWKAXLNCJLL-YPMLDQLKSA-N 412.755 5.515 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cl)cc1OC 587865051 PMVQMWKYTDTHIO-UHFFFAOYSA-N 424.806 5.318 0 1 HKAF CC(C)c1ccc(-c2cc(O)n(-c3ccc(Oc4ccc(F)cc4)c(F)c3)c2O)cc1 587945314 LSGMKXVTLDIQRC-UHFFFAOYSA-N 421.443 6.749 0 1 HKAF Oc1cc(-c2ccccc2F)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 587946579 ZLAWYVSUVUCSKE-UHFFFAOYSA-N 419.427 6.115 0 1 HKAF COc1ccc2c(c1OC)[C@]1(CC3(CCCCC3)Oc3cc(O)ccc31)N(C)[C@@H](C)C2 962626733 NYENCWUIURKDNS-MRDQGFSESA-N 423.553 5.015 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCC(=O)OCC)c1ccccc1OCC 963225533 FEAMLISRMGSJGN-IBVKSMDESA-N 409.570 5.329 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1cc(C(C)=O)c[nH]1)C(Cl)(Cl)Cl 963235027 FIAHUXAERDIUKZ-ORAYPTAESA-N 413.776 5.488 0 1 HKAF COc1ccc(-c2cccc(Cl)c2C)cc1[C@@H](CC(=O)O)c1ncc(C)s1 1772648126 LYZXFKKVKREVMP-QGZVFWFLSA-N 401.915 5.696 0 1 HKAF CCn1c2ccccc2c2cc(NC(=O)C[C@@H](C)CC(=O)Nc3ccccc3)ccc21 1857642306 JXUQRXKBUXOQDP-SFHVURJKSA-N 413.521 5.808 0 1 HKAF CC(C)[C@H]1[C@H](C)[C@H]1C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356552680 YQSCMUYRADBXNP-OOEDRKLTSA-N 414.718 7.571 0 1 HKAF C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CCC5=C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 2356570335 DWCSNWXARWMZTG-GWHNFDFHSA-N 414.630 5.714 0 1 HKAF CCOC(=O)[C@H](C)CC[C@@H]1[C@H](C)C(=O)C[C@H]2[C@]3(C)CCCC(C)(C)[C@@H]3CC[C@]12C 2356614598 AOEYJVULCDXRBE-OHCZOILGSA-N 404.635 6.440 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356746360 QIHXSWPLWOYYST-WXNRUDIKSA-N 402.663 6.648 0 1 HKAF CCCCN(C(=O)CCC(C)C)[C@H](C(=O)NCc1ccccc1)c1ccc(OC)cc1 2356810786 BBKUENJTSKWUAI-VWLOTQADSA-N 424.585 5.118 0 1 HKAF CN1C[C@@H]2[C@@H](c3ccc(Cl)nc3)C3(c4cccnc4)CC2(C3)[C@H]1c1ccccc1 8690101 GFUSGGMKDGYRBN-QISUQNOESA-N 401.941 5.248 0 3 HKAF O=C(O)c1cccc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccccc2)n1 3949395 XLGWJWCOXJBCSY-UHFFFAOYSA-N 415.876 6.346 0 1 HKAF CCCc1cc(C(=O)CC)cc(CCC)c1O[C@@H](C(=O)O)c1ccc(C(C)C)cc1 13646479 BLBKQSCECDPYAW-RUZDIDTESA-N 410.554 6.512 0 1 HKAF Cc1cc(O)c(C)c2c1O[C@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)C=C2 14767646 UGGWLEJOHZBWFT-PFPZSTESSA-N 414.674 8.612 0 1 HKAF biogenic O=C(c1ccccc1)[C@@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)c1ccccc1 25990431 XZLQCWJPAKCNQB-FQEVSTJZSA-N 416.360 5.123 0 1 HKAF Clc1ccc(-c2c[nH]cc2[C@@H](c2ccc(Cl)cc2Cl)n2cncn2)cc1 26661862 IQXJVXKFKCRHBZ-LJQANCHMSA-N 403.700 5.871 0 1 HKAF CC(C)(C)c1ccc(C(=O)OCCCCN2CCC(OCc3ccccc3)CC2)cc1 28650697 GFIJRXDCBUNMRS-UHFFFAOYSA-N 423.597 5.602 0 1 HKAF CCCCCn1cc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)c2cc(Cl)ccc21 28864683 AOUFQVBTKHDZLB-QFIPXVFZSA-N 422.956 5.653 0 1 HKAF CCOC(=O)c1[nH]c(Br)c(-c2ccc(Cl)cc2)c1Br 29124301 QZTBHUITOCVCCX-UHFFFAOYSA-N 407.489 5.037 0 1 HKAF Cc1cc(NC(=O)NC(=O)c2c(F)cccc2F)ccc1SC(F)(F)C(F)F 31500124 DNOUKMBBTURWMF-UHFFFAOYSA-N 422.350 5.185 0 1 HKAF CC(C)=CCC[C@@H](C)[C@@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 33988549 CHGIKSSZNBCNDW-YUOIEPDSSA-N 412.702 8.089 0 1 HKAF endogenous,in-man OCc1cc([C@H](O)CNCCCCCCCCCCCc2ccccc2)ccc1O 38838820 BTXKYSQDHVLOQY-AREMUKBSSA-N 413.602 5.261 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4cccc(CNCc5cccc(N)c5)c4)cc3)nc12 45196179 FEPLCMRNFRCQNU-UHFFFAOYSA-N 418.544 6.077 0 1 HKAF COC(=O)[C@@H](Oc1cccc(-c2ccc3sc(C(=N)N)cc3c2)c1)c1cccs1 45355695 SLKMBSWRTAUUSA-FQEVSTJZSA-N 422.531 5.207 0 1 HKAF NC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccccc3)cc2)cc1 66103936 SLUFEKSVROWZQZ-UHFFFAOYSA-N 407.395 5.324 0 1 HKAF CC[C@@H](C)Cn1c(C2CCCCC2)nc2c(NCCCc3ccccc3)ncnc21 82179922 WIWRTGZJXPTFRG-LJQANCHMSA-N 405.590 5.965 0 1 HKAF CCOC(=O)C(C)(C)C1=C/C(=C\c2ccc3c(c2)Cc2ccccc2-3)c2ccc(F)cc21 84710016 DUAVQDOWIHBMKL-KGENOOAVSA-N 424.515 6.924 0 1 HKAF CC(C)CCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 84732140 ZOMKSZCIFXYBAD-FLVCZDKCSA-N 420.678 5.554 0 1 HKAF Fc1ccc(-c2nn(-c3ccccc3)cc2C2=NN[C@@H](c3ccc(Cl)cc3)C2)cc1 84757594 YESOBPZQZHEIHN-JOCHJYFZSA-N 416.887 5.771 0 1 HKAF O=C(c1sc2cccc(Cl)c2c1Cl)N(Cc1ccco1)C1CCNCC1 95576225 NRVCHPNIGYZHCZ-UHFFFAOYSA-N 409.338 5.196 0 1 HKAF CN(C)c1ccc([C@]2(c3cc(C(C)(C)C)ccc3O)C(=O)Nc3ccccc32)cc1 96937500 XYRHPUWPPBFGJZ-SANMLTNESA-N 400.522 5.042 0 1 HKAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)SC(C)(C)C)CC[C@H]4[C@@H]3CC[C@@H]12 98084503 ZTCPRLTVZUYVAK-GXESYUSNSA-N 405.648 5.524 0 1 HKAF O=c1c2cc(F)ccc2nc(/C(O)=C/c2ccccc2F)n1-c1ccccc1Cl 100884541 HHTVQTSRSSIEHX-JAIQZWGSSA-N 410.807 5.373 0 1 HKAF Cc1ccc(N2CCC(N(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)cn1 103303227 QENQSAPKNQBZBF-UHFFFAOYSA-N 412.459 5.611 0 1 HKAF C[C@H]1CC[C@@H](C)N1CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 146481557 DXTJWAKKLIVOBV-HDICACEKSA-N 406.599 5.448 0 1 HKAF O=C1CC[C@@H](c2ccccc2-c2ccccc2)N1Cc1csc(-c2ccccc2)n1 166886498 JIKLFQIVTQJSDI-DEOSSOPVSA-N 410.542 6.341 0 1 HKAF Cc1cc([C@H](C[C@H](c2ccc(Br)cc2)c2ccccc2C)N=O)ccn1 169730227 INISOYAKHGTHDU-YADHBBJMSA-N 409.327 6.491 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1)C(C)C 255222332 KCJIRIALUVVFBL-JTYHYOPGSA-N 412.702 7.945 0 1 HKAF CC(C)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)CCC[C@]4(C)C3=CC[C@]21C 255287020 ZHDRLFGZQZCZKX-NXIIQFEASA-N 410.730 9.054 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3 299809302 OMKJDABLEGUPIE-OSBAJOMXSA-N 424.713 8.687 0 1 HKAF COc1ccc(-c2ccc(CNCCNc3ccnc4cc(Cl)ccc34)s2)cc1 299861029 HMLLGKJODKDQRR-UHFFFAOYSA-N 423.969 5.827 0 1 HKAF O=C(O)c1ccccc1/C=C/c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586879181 JIKOCRXBPPKJOW-AATRIKPKSA-N 400.278 5.469 0 1 HKAF Fc1cc(F)c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1Br 587138177 ZIWRDLANHDIJDV-UHFFFAOYSA-N 423.989 5.311 0 1 HKAF Cc1ccc2c(ccc3nc([C@H](Oc4ccc(F)cc4Cl)c4ccccc4)[nH]c32)n1 587157755 CEHQSRFQVNTLOP-HSZRJFAPSA-N 417.871 6.380 0 1 HKAF Fc1ccc2c(-c3nc4cc(Br)c(Br)cc4[nH]3)coc2c1 587174567 KYASSDFMBBISEH-UHFFFAOYSA-N 410.040 5.640 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587189458 CEWPJYOSNRDOGI-QGZVFWFLSA-N 423.410 5.677 0 1 HKAF C[C@@]1(c2cc3cc(Cl)ccc3o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333438 SLOPYOFDLHHMDS-UPVQGACJSA-N 422.839 6.205 0 1 HKAF CCN(CC)[C@@H]1CCCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587358670 AMUGCHHXFJQDID-OAQYLSRUSA-N 400.522 6.376 0 1 HKAF COc1cccc(-c2cc(-c3c(Cl)ncnc3Cl)nc3c2oc2ccccc23)c1 587361303 XYCUNRDXKAPNIQ-UHFFFAOYSA-N 422.271 6.420 0 1 HKAF COc1ccc(C(=O)Cc2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 587363819 WAONBKFLDPXKCF-UHFFFAOYSA-N 423.468 6.091 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(F)(F)F)ccc1Br)O2 587381394 HZTVDTJTBZIVIV-HNNXBMFYSA-N 400.194 5.065 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]31C)O2 587405150 UWRQKSQOEQGLQD-DLSOPAFHSA-N 417.549 5.543 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Cc4ccc(C(C)=O)cc4)cc1)[C@@H](C2)C3=O 587446004 RBOIHXSZPMWGEA-HOFKKMOUSA-N 412.485 5.151 0 1 HKAF CC(C)(C)OC(=O)N[C@H]1CC[C@H](C[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587514339 WNXJTGCHLLCTQB-BHIYHBOVSA-N 413.558 5.373 0 1 HKAF O=C1C[C@H](c2c[nH]c3cccc(OCc4ccccc4)c23)Oc2c1ccc1c2CCCC1 587523928 IWRUAUJIWOGLLM-AREMUKBSSA-N 423.512 6.332 0 1 HKAF O=C1C[C@H](c2ccc(COc3ccc4c(c3)CCC4)o2)Oc2c1ccc1c2CCCC1 587529393 BFQPPIUFPJEFNW-AREMUKBSSA-N 414.501 5.933 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cc(C(F)(F)F)cc1F 587550158 TYMAHIGSGAPMRT-FXAWDEMLSA-N 422.305 5.392 0 1 HKAF CCOc1cc(OCC)cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587593436 DFLWNORYXVRHQZ-RCZVLFRGSA-N 420.461 5.067 0 1 HKAF C[C@@]1(C(c2ccccc2)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600281 NPMVHQKJMGIIMO-NAKRPHOHSA-N 422.480 5.945 0 1 HKAF Cc1nn(Cc2c(-c3ccc(Cl)cc3)[nH]c3c(C)cc(Cl)cc23)c(C)c1Cl 587624031 WMZUCEDIVSWJOK-UHFFFAOYSA-N 418.755 6.965 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(Cl)o2)N1 587682756 VFHYRFRGJMUZGH-CAAJLBCPSA-N 423.507 5.221 0 1 HKAF COc1ccc(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587691954 FJLGWOABQOYUMZ-WLRWDXFRSA-N 412.730 5.242 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)c(O)c2Cl)N1 587696368 UBCYNPVIKVTVQA-KWKYVRJSSA-N 405.094 5.224 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)c(F)c2)N1 587714132 VAKXXUGSGQABCG-XYZCENFISA-N 420.219 5.544 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(C(F)(F)F)cccc32)N1 587715083 RHOCPJRQEVDEJS-MGNBDDOMSA-N 414.240 5.331 0 1 HKAF CSc1scc2c1[C@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587852141 KMKRYIVABNEULI-MLCYQJTMSA-N 412.393 5.486 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NCc1ccc(F)cc1 587864874 NJGZZJRPTGUWGB-UHFFFAOYSA-N 423.435 5.030 0 1 HKAF Fc1ccc2c(c1)-c1cc(n(-c3ncc(Br)cc3C(F)(F)F)n1)O2 587873420 BCYKTYXEKHSYMN-UHFFFAOYSA-N 400.129 4.960 0 1 HKAF CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1-c1cc(Cl)cc(Br)c1 587941575 SXEBLWSVLQMZEY-UHFFFAOYSA-N 420.734 6.443 0 1 HKAF O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1coc(-c2ccccc2)c1 621476120 OFAJLODSMGCPID-UHFFFAOYSA-N 412.276 5.751 0 1 HKAF CC(=O)Oc1ccc(/C(=C(\C)c2ccccc2)c2ccc(OCCN(C)C)cc2)cc1 653743798 WRTPPNKLPHNGIQ-NHFJDJAPSA-N 415.533 5.531 0 1 HKAF Cc1ccc(C(=O)C[C@@H]2C(=O)CC(C)(C)C[C@]23NCCc2cc(C)c(F)cc23)cc1 962090366 IKSXOJPPYMFBFV-QFQXNSOFSA-N 407.529 5.062 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CSc2nc(C)c(C)c(O)n2)(C(C)(C)C)N1 962960307 WNXTXIOWEMVDPW-VOIUYBSRSA-N 424.614 5.238 0 1 HKAF Fc1ccc(-c2nc([C@@H]3c4ccsc4CCN3Cc3cccnc3)cs2)cc1 962998831 QMDBAONJJAOEMX-NRFANRHFSA-N 407.539 5.553 0 1 HKAF Cc1ccnc2c1CCN[C@]2(c1ccc(C(F)(F)F)cc1)c1cnc2ccccc2c1 963076948 UTUVKQRUSXMXCV-XMMPIXPASA-N 419.450 5.395 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3C(=O)O)NCCc3c(Cl)cc(Cl)cc32)s1 963115298 ZZYHZLVYMFEIPN-NRFANRHFSA-N 418.345 5.499 0 1 HKAF COc1ccc(CSc2nc3ccc(C)cc3c(=O)n2-c2ccc(OC)cc2)cc1 1772644172 ZHVGNNKMTIAKIZ-UHFFFAOYSA-N 418.518 5.004 0 1 HKAF CC[C@@H](c1ccccc1)N(C)c1ccc(S(=O)(=O)Nc2nccs2)cc1Cl 1857598623 ORTXFBYCNLCMDW-KRWDZBQOSA-N 421.975 5.185 0 1 HKAF O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCc2cccc(O)c21 1911572269 SGBVBNGLCNCGEZ-UHFFFAOYSA-N 404.310 5.415 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356536003 MTLNAKDBXBYDNX-SCCLCSFLSA-N 412.702 7.779 0 1 HKAF O=C(O)[C@@H]1N=C1C=CCCCCCCCCCC=C(Br)Br 2356541733 XWKHPPWOUIGVPT-OAHLLOKOSA-N 421.173 5.593 0 1 HKAF CN[C@@H]1CC=C2CC3=CC[C@]4(C)[C@H]([C@H](C)N(C)C)[C@H](O)C[C@]4(C)[C@H]3CC[C@H]2C1(C)C 2356605530 JTOMBDWNZMKDRU-FYERQKQASA-N 414.678 5.021 0 1 HKAF COC(=O)C1=C[C@H](OCC(C)C)[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CCc1ccoc1 2356699488 VSFOZPUOGJXMFT-FUCAVZNHSA-N 402.575 5.815 0 1 HKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5CO[C@H](O)[C@@H]54)C3=CC[C@@H]12 2356801406 QOTHQFYQXIMAHN-ANBALKTNSA-N 414.586 5.020 0 1 HKAF CC(=CCCC(=CC(=O)O)C(=O)O)CCC=C(C)CC[C@H]1[C@@H](C)CCCC1(C)C 2356826419 HXBOSQKHNKUOJW-UNMCSNQZSA-N 404.591 6.778 0 1 HKAF CC(C)=CCN1C(=O)[C@]2(O[C@H](COc3ccccc3)CC3=C2CCC3)c2ccccc21 36381954 HLGCXWDUEODXAU-WXVAWEFUSA-N 415.533 5.543 0 3 HKAF CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215190 MNWFCGYYUOPBCQ-ABQRKTDGSA-N 416.606 5.347 0 1 HKAF COc1ccc(C(=O)N2CCC3(CC2)CN(c2ccc(-c4ccccc4)cc2)C3)cc1 4238114 HGMNYXQXZSTYQL-UHFFFAOYSA-N 412.533 5.105 0 1 HKAF Clc1ccc([C@@H](c2c[nH]cc2-c2ccc(Cl)cc2Cl)n2ccnc2)cc1 5974147 LTUHZEBCJDMLPQ-FQEVSTJZSA-N 402.712 6.476 0 1 HKAF FC(F)(F)c1cccc(Nc2nnc(-c3cnccc3CCc3ccncc3)o2)c1 14946571 XMIXBZCDEAESLW-UHFFFAOYSA-N 411.387 5.074 0 1 HKAF COc1cc(OC)c2c(c1CC=C(C)C)C[C@H]1[C@H](C2)c2ccc(O)cc2OC1(C)C 15273923 VDNFSSVVXBUKRX-IRLDBZIGSA-N 408.538 5.588 0 1 HKAF endogenous,in-man COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccn(Cc2ccccc2)c1 26658653 YPXUGGGZRCPNQI-UHFFFAOYSA-N 411.527 5.326 0 1 HKAF CCCCCCOc1c(OC)cc(N[C@H](C)CCCN)c2nc(OC)cc(C)c12 29468107 PUYIHGGWIBSWBQ-QGZVFWFLSA-N 403.567 5.059 0 1 HKAF CCCOc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2cccc(N)n2)cc1 38225714 NWHRLRATRMUBMO-UHFFFAOYSA-N 417.940 6.290 0 1 HKAF COc1ccc(Nc2nc3ccccc3c3[nH]c(C4CCCCC4)nc23)cc1OC 40899476 UAWWBUWDDLZEFM-UHFFFAOYSA-N 402.498 5.920 0 1 HKAF CCCCn1c(-c2ccccc2)c(Cc2c(O)ccc3ccccc23)c(=O)[nH]c1=S 42889468 GYXPQIXPVICQOQ-UHFFFAOYSA-N 416.546 5.823 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3cc(CC=C(C)C)c(O)c(CC=C(C)C)c3O2)cc1 43067436 XGZTURSZEPLOKA-DEOSSOPVSA-N 406.522 6.125 0 1 HKAF biogenic Clc1ccc(COc2c3cnc4c(c3nn2-c2ccc(Cl)cc2)CCCC4)cc1 66078323 MXTPRZSAMHVJFI-UHFFFAOYSA-N 424.331 6.185 0 1 HKAF CCCC(=O)OCCc1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O 66099855 PKSZPSABTLGHEJ-UHFFFAOYSA-N 404.293 5.388 0 1 HKAF CC(C)(C)C(=O)OCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl 71317576 CORUUBZMCIDTMK-UHFFFAOYSA-N 410.297 5.370 0 1 HKAF Clc1cc(NCc2ccccc2)c2[nH]c3cnc(NCc4ccccc4)cc3c2c1 95554580 XGSYEIFIGXATSJ-UHFFFAOYSA-N 412.924 6.594 0 1 HKAF CCCn1c(C)c(C(=O)c2cccc3cccc(Br)c23)c2ccccc21 95560160 UPEVXJDMQLVSFE-UHFFFAOYSA-N 406.323 6.506 0 1 HKAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3cccc(OC[C@@H]4CC4(F)F)c3)C2)cc1 96172969 VWIBNSKYJORTIG-APWZRJJASA-N 415.480 5.071 0 1 HKAF COC(=O)CCCCCC[C@H]1C(=O)CC[C@@H]1c1ccc([C@H](O)C2CCCCC2)cc1 117787032 VOOPDGBFFAQNPE-JQYIIUTOSA-N 414.586 5.877 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913642 HWOOALPDOJHOPO-JUWUIRPVSA-N 402.663 6.648 0 1 HKAF endogenous,in-man C[C@@H](CCCc1ccc(F)cc1)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CNCC1 169344087 YRFKEHZPCQKFTM-ROUUACIJSA-N 423.572 6.212 0 1 HKAF CC(C)CCC[C@H](C)/C=C\C[C@H](C)CCC[C@@H](C)/C=C\CC/C=C\CCCC(=O)O 169636576 YFZUHLGNZYWTSU-LIPPWGDWSA-N 418.706 8.985 0 1 HKAF CCC(CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C)=C(C)C 257545876 STLJXSQSUAPXFX-DXFDJZHOSA-N 412.702 8.089 0 1 HKAF endogenous,in-man N=c1[nH][nH]c2cccc(-c3cccc(NC(=O)Nc4ccc(Cl)cc4Cl)c3)c12 473144896 AWYMTOMBTVFTEZ-UHFFFAOYSA-N 412.280 5.593 0 1 HKAF CC(C)CCOc1cc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2cc1Br 586884922 KCWXYJLWATVCOX-QLFBSQMISA-N 417.347 5.389 0 1 HKAF Cc1cc(Br)cc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c12 586901139 OSIZFDDSOIBBRL-UHFFFAOYSA-N 411.255 5.285 0 1 HKAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 586915241 JYAFHNQGESFUKW-UHFFFAOYSA-N 414.339 5.230 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cnc(-c4ccccc4)s3)nc3ccc(O)c1c23 586993460 IKDHZSLMRFVMIQ-UHFFFAOYSA-N 406.466 5.942 0 1 HKAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(F)c(Br)c2[nH]1 587011779 NHTKQQYSZVKYDP-UHFFFAOYSA-N 402.292 5.487 0 1 HKAF Nc1c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)sc2cc(Br)ccc12 587030236 BTCJLHAXANFBTL-UHFFFAOYSA-N 424.226 5.111 0 1 HKAF O=C(Nc1ccccc1Cl)c1nc2c(C(F)(F)F)cc(Br)cc2[nH]1 587060298 KKRKVUVOLAQDIH-UHFFFAOYSA-N 418.600 5.250 0 1 HKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2)cc1 587067471 BYTVVYLEIBAQNY-UHFFFAOYSA-N 418.802 5.941 0 1 HKAF FC(F)(F)c1ccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 587071881 UFDTZOAZEDYNRL-UHFFFAOYSA-N 402.803 6.481 0 1 HKAF CC(C)(C)c1cccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 587081723 UYTUPOJPTGSGIF-UHFFFAOYSA-N 401.901 5.891 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c(C)ccc(C)c2[nH]1 587086309 FHABWHWNROHRBK-KHPPLWFESA-N 411.336 6.210 0 1 HKAF FC(F)(F)c1cc(-c2nc3cccc(Br)c3[nH]2)c(Br)cn1 587115259 PUJYJNOVSVXLCW-UHFFFAOYSA-N 421.014 5.169 0 1 HKAF N[C@@]1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)C[C@@H]1c1ccccc1F 587154469 PRCPSRPQORWEQS-CMJOXMDJSA-N 400.482 5.320 0 1 HKAF O=C(O)c1cc(Br)cc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc12 587163086 GTHOILOEJSRKBP-UHFFFAOYSA-N 417.259 5.558 0 1 HKAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc(Sc3ccccc3)cc2[nH]1)C1CCCC1 587225494 LEDZTVFKXVGEGG-NRFANRHFSA-N 423.582 6.470 0 1 HKAF Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2n1C 587341605 KAZQQOPAVRISRB-AHWVRZQESA-N 415.464 5.606 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 587353303 OPQQJNODYHFQMW-OICBGKIFSA-N 416.492 6.377 0 1 HKAF CC[C@@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587375276 MDYXUVUWVQFEOV-FPOVZHCZSA-N 402.874 5.911 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3cccc(C(=O)OC(C)C)c3)c1)O2 587400708 NOHKYUQVFMLGJH-XMMPIXPASA-N 415.489 5.516 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCc1cccc(Cl)c1)CC2=O 587460366 HKSQGOPZOXPTMP-DEOSSOPVSA-N 422.908 6.284 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1ccc(C(=O)OC)cc1)CC2=O 587476314 BFKQSCJFYBZNIU-XMMPIXPASA-N 416.473 5.505 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC2=O 587479793 CPNZLFXMVJAZCT-JOCHJYFZSA-N 410.554 6.352 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](c2ccccc2)Oc2ccccc21 587482263 DLMJRRHJSVCRNH-AZGAKELHSA-N 400.474 5.729 0 1 HKAF COc1cc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1OC 587500294 ZYWBMCFJHGZAMX-INIZCTEOSA-N 407.293 5.596 0 1 HKAF O=C1C[C@@H](c2c(F)cc(Br)cc2Cl)Oc2c1ccc1c2CCCC1 587501220 AQNLZSBLCIRSHG-KRWDZBQOSA-N 409.682 5.827 0 1 HKAF COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(F)F 587506258 NDIVUKDWGJSXRY-HSZRJFAPSA-N 402.437 5.099 0 1 HKAF O=C1C[C@H](c2sc(N3CCCCC3)nc2Cl)Oc2c1ccc1c2CCCC1 587534523 CEKZOAHAXAXIOG-QGZVFWFLSA-N 402.947 5.372 0 1 HKAF C[C@H](c1ccc(C(F)(F)F)cc1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550586 VEPNHARISWGJLC-OEVHLYDDSA-N 414.379 5.545 0 1 HKAF COc1ccc(C2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 587598624 BTWSGOGSMNRURC-GRELRLAZSA-N 416.473 5.459 0 1 HKAF CC(C)(C)[C@@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602181 XDDSYBCNLMOOFI-KCWPFWIISA-N 414.501 5.784 0 1 HKAF Cc1ccccc1[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611693 JHQIVVVRWPFUOH-DHLKQENFSA-N 414.482 5.668 0 1 HKAF Cc1c(-c2ccc3cc(N(C)C)ccc3c2)[nH]c2c1c(Br)cc1n[nH]cc12 587623147 MDAJSPKNIWQPDE-UHFFFAOYSA-N 419.326 6.001 0 1 HKAF CCOc1ccc(Cl)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587696104 KWPTVYZBIUURTQ-WLRWDXFRSA-N 412.730 5.438 0 1 HKAF Cc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC(F)F 587714048 FTDDICWVRMDRRX-QLJPJBMISA-N 400.238 5.122 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OC(F)F)N1 587716722 JYHCLUUZFIEKMG-BCTVWOGZSA-N 420.656 5.467 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)c2ccccc2n3C)N1 587760306 XRKBUOYDHZLQSE-JCQPUDPBSA-N 423.329 5.857 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OC(C)(C)C)cc2)N1 587794522 OVKARKXYXHNRDX-YEJXKQKISA-N 406.339 5.563 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccccc3)s2)N1 587846391 HGIVAPCMAYCMAG-YEJXKQKISA-N 416.359 6.114 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccccc3)s2)N1 587850539 ZSNOWZWBGZMKIA-ZSEKCTLFSA-N 416.359 6.114 0 1 HKAF Cc1ccccc1-c1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 587851758 JIIWGMHLYOPBNN-BLVKFPJESA-N 417.347 5.644 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cscc2Br)N1 587852369 FWYAUUTXZNWANA-WJWGPLDTSA-N 405.130 5.036 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Cl)s1 587861460 QHLYFKOKAZPSHV-UHFFFAOYSA-N 401.702 5.659 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1ccc(C)cc1 587865077 UKJOPHXCIXQVJO-HNNXBMFYSA-N 418.415 5.384 0 1 HKAF CCOc1cc(CC(C)=O)c(OCC)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 587944355 ASQMTVIMZFOFFB-NRFANRHFSA-N 413.489 5.371 0 1 HKAF c1ccc(-c2ccc3c(c2)CCN[C@@]3(c2ccccc2)c2cccc3ccccc23)cc1 962662847 CRIZKIYMYUHYQC-WJOKGBTCSA-N 411.548 6.944 0 1 HKAF COc1ccc([C@]2(c3ccnc(C)c3)NCCc3cc(-c4ccccc4)ccc32)cc1 962662900 CYMXYRBEKYYLFF-MUUNZHRXSA-N 406.529 5.503 0 1 HKAF Cc1ccc([C@]2(Cc3ccc(F)cc3)NCCc3cccc(-c4ccccc4)c32)cc1 962663966 HNSJFCGXKNPFJT-LJAQVGFWSA-N 407.532 6.433 0 1 HKAF CCOC(=O)CCCC[C@]1(c2ccc(CC)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963106741 NBZZKCDNZYQYIR-IGKIAQTJSA-N 423.572 5.776 0 1 HKAF COc1ccc([C@H]2c3cccc(Br)c3CCN2C)c(C(F)(F)F)c1 963269411 IYEARKNYLRPACK-QGZVFWFLSA-N 400.238 5.054 0 1 HKAF CCC(=O)N[C@@H](C)c1ccc(CN2Cc3ccc(OCC4CC4)cc3[C@H](F)C2)cc1 1772625642 COMIDLROXGIYLN-BXKMTCNYSA-N 410.533 5.089 0 1 HKAF COc1ccc(N2C(=O)[C@](C)(CCCc3ccc(N(C)C)cc3)c3ccccc32)cc1 1772627829 LZJXYNPEROOMJR-HHHXNRCGSA-N 414.549 5.720 0 1 HKAF CC[C@@H](C)NC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772638476 RYZQOPNOURADGH-ABDJAZHISA-N 411.509 5.400 0 1 HKAF COc1ccc(N2C(=N)[C@@H](c3nc4ccccc4s3)C(=O)[C@@H]2c2ccccc2)cc1 1857621296 GATJXWISFAKGAK-SFTDATJTSA-N 413.502 5.196 0 1 HKAF COC(=O)C=CC(C)=CC(C)=C[C@@H]1C(C[C@H](C)O)=C(C)C=C2C[C@H](C)C(=O)[C@H](C)[C@H]21 2356334258 CJDQRZHRJWJAGG-WKOOUMEPSA-N 412.570 5.113 0 1 HKAF CC1=C[C@H](CN(CC2CC2)CC2CC2)[C@H](C(C)C)C[C@@H]1Cc1nc2cccc(C)c2[nH]1 2356541038 DTEWDOZBJNXZKU-SDHSZQHLSA-N 419.657 6.390 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@H](CO)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 2356575854 DIHBDVABCMVSNH-ZACROIHTSA-N 414.718 7.738 0 1 HKAF CCC=C1OCCC2=C1[C@@H]1O[C@H](O)CC[C@@H]3C(CC)(CC)CCC[C@]3(CC)[C@@H]1CC2 2356587705 URZYCNZDXUVMPH-JNHPGVOLSA-N 416.646 6.908 0 1 HKAF O[C@H]1CN2CCCCCCC=CCCC3=C[C@H]4CN5CCCCC=CCC[C@@](C2)([C@@H]14)[C@@H]35 2356611016 GFQQVZDOEWJQSB-UZSVIBPSSA-N 424.673 5.327 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)[C@@H](CO)[C@@H]1CC3 2356655883 ORZKEIGPXNMCHC-KFIVDMCQSA-N 414.674 6.671 0 1 HKAF COC(=O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCCCc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@H]1[C@H]2[C@@H]43 2356684729 WUXZTXRLZQAUHL-JIBNPJKZSA-N 420.549 5.178 0 1 HKAF COC1=CC(c2ccc[nH]2)=N[C@]12O[C@H](C)C[C@H]1CCCCCCCc3ccc([nH]3)[C@H]12 2356791810 IYXCTYVGDOJTOK-GEUPUMGHSA-N 407.558 5.478 0 1 HKAF COC(=O)C=C(OC)[C@@H](C)[C@@H](C=Cc1csc(CCCCCC(C)C)n1)OC 2356868247 WZUBQUSSGYCRFH-PKOBYXMFSA-N 409.592 5.270 0 1 HKAF Cc1cc2nc(-c3ccc(F)cc3)c(Cc3ccccc3)n2c(C)c1Br 72137756 GBFQAXLTEJZEQC-UHFFFAOYSA-N 409.302 6.111 0 3 HKAF CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cccn12 1483335 KSKDWDPHIMOLTI-UHFFFAOYSA-N 404.341 5.499 0 1 HKAF COc1cc(N[C@H](C)CCCN)c2nccc(C)c2c1OCCCCc1ccccc1 5931481 LBHZSCXJLORTAR-HXUWFJFHSA-N 421.585 5.493 0 1 HKAF Cc1nc2cnccc2n1CCCO[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)O1 11687519 MOKMUEQGGPEMDJ-UXHICEINSA-N 406.313 5.331 0 1 HKAF O=C(Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12)c1cccs1 13489827 UKFQHKRZVDHZEX-UHFFFAOYSA-N 419.346 5.466 0 1 HKAF CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(-c3ccccc3)cccc12 13758717 XQVSGXAXDJMPTL-UHFFFAOYSA-N 423.512 5.449 0 1 HKAF COc1cc2c(c(O)c1-c1c(C)cc(OC)c3c(OC)cccc13)[C@H](C)N(C)[C@@H](C)C2 14421094 PGHJSNHPVCVQPJ-HOTGVXAUSA-N 421.537 5.484 0 1 HKAF biogenic O=C(CCCCCCCCCCc1c(O)cccc1O)c1c(O)cc(O)cc1O 15113879 FYQJQTJFCKNRBH-UHFFFAOYSA-N 402.487 5.151 0 1 HKAF biogenic,in-vitro N=C(N)c1cc(-c2nc(-c3ccccc3)cs2)c(SCc2ccccc2)s1 26835057 XMNPQLITWKAPGY-UHFFFAOYSA-N 407.589 6.115 0 1 HKAF CC1=C(/C=C\C2=CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@H](O)C[C@H]1O 33985224 IGGKEILCLJZLKQ-XNUWECMXSA-N 400.647 6.590 0 1 HKAF CCCOc1cc2c(cc1-c1cc(/C=C/C(=O)O)ccc1O)C(C)(C)CCC2(C)C 38377704 DJVKZKGDIQNPRJ-CSKARUKUSA-N 408.538 6.295 0 1 HKAF in-vitro C=C(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C 39163678 UXNDUVPYZXAOAN-PWJXOMBXSA-N 424.713 7.945 0 1 HKAF COc1ccc(C)cc1-c1ccc(C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc1 40421041 UPJLCXDCWKICBQ-DEOSSOPVSA-N 415.533 5.492 0 1 HKAF CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C)c(C)c2)c2ccccc21 49047694 LWTUYNJQSLFRCB-FQRUVTKNSA-N 412.533 5.837 0 1 HKAF C[C@@H](Nc1cc(-c2[nH]c([S@](C)=O)nc2-c2ccc(F)cc2)ccn1)c1ccccc1 71296592 LDYVDKCSGKMMHS-DHMKHTPVSA-N 420.513 5.188 0 1 HKAF C[C@H](c1ccccc1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 72178935 VOWLEUTUOQTSJA-LJQANCHMSA-N 414.980 6.493 0 1 HKAF CCCCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCC3CC3)ncnc21 82179727 MTNWRUDPISKQQU-UHFFFAOYSA-N 419.451 5.404 0 1 HKAF O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2ccc(-c3cc(F)ccc3F)cc2N1 101495450 PKQZPUFBOAOAIO-UHFFFAOYSA-N 414.415 5.281 0 1 HKAF O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)NC1C[C@@H]2CC[C@@H](C1)N2C1CCCC1 101876210 PCWHTYQLARQJBV-HOTGVXAUSA-N 415.887 5.418 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)N1[C@H]2CC[C@@H]1C[C@H]([S@](=O)c1ccccc1)C2 103097127 BPWKPRCUECQNRN-RODTVLQHSA-N 422.472 5.041 0 1 HKAF COc1ccc(Nc2nnc(Nc3nc(-c4ccc(Cl)cc4)cs3)s2)cc1 103167679 AUKNKGGXVAOHAC-UHFFFAOYSA-N 415.931 5.811 0 1 HKAF CCOc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cccc(C)n2)cc1 103540158 MAQCPWOJHRXEAA-HSZRJFAPSA-N 417.509 5.236 0 1 HKAF CC[C@H](C)NC(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 105186337 ZSCPAAWATBNPFJ-XWCXQPFMSA-N 420.601 5.463 0 1 HKAF CCOc1ccc(COc2ccc3c(c2)cc2n3CCC[C@@H]2CC(=O)O)cc1OCC 117795147 OURDNEYNJXXFAW-GOSISDBHSA-N 423.509 5.370 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2cccnc2)c1 167263116 GXWVOUXPUUSXQW-NRFANRHFSA-N 402.494 5.020 0 1 HKAF COc1ccc(CNc2cccc(Nc3cc(C)nc4ccc5nc[nH]c5c34)c2)cc1 169322933 UFDAEDVUCPBGQH-UHFFFAOYSA-N 409.493 5.784 0 1 HKAF Cc1ccc(-c2cc([C@H](O)C[C@H]3CCCCN3)c3cccc(C(F)(F)F)c3n2)cc1 169333407 BBRUOXSEHMIAPY-VGOFRKELSA-N 414.471 5.795 0 1 HKAF CC/C=C/C/C=C/C/C=C\C/C=C\C/C=C\C/C=C/CCC(=O)OC[C@H](O)CO 169364312 JWPHORDRFVRZPP-QRGWKSTASA-N 402.575 5.361 0 1 HKAF Cc1cc(Cl)ccc1[C@H]1c2c(n[nH]c2C(C)C)C(=O)N1c1cc(Cl)ccc1C 224899871 LLKFHNUTUJCGPX-NRFANRHFSA-N 414.336 6.207 0 1 HKAF CC(C)=CCC/C(C)=C\Cc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c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c1n(CCCCCCCCCCC(=O)O)c2ccccc2n1Cc1ccccc1 377819913 XYYGCLOKHJISBP-UHFFFAOYSA-N 407.558 5.566 0 1 HKAF C[C@H](SCc1ccccc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586960251 AHCJLALJYADWCQ-HNNXBMFYSA-N 401.560 6.834 0 1 HKAF O=C(O)c1cc(F)cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 586974647 FUHCWSLQJGVZIP-UHFFFAOYSA-N 404.022 5.137 0 1 HKAF COc1cc(/C=C\c2nc3cccc(OC(F)(F)F)c3[nH]2)ccc1Br 586977045 MPMLJONQAAUFSZ-VURMDHGXSA-N 413.193 5.403 0 1 HKAF CCOc1cc(/C=C\c2nc3cc(C)cc(C)c3[nH]2)cc(Br)c1OC 586978601 YHUVCGWBMGEPPT-SREVYHEPSA-N 401.304 5.520 0 1 HKAF CC(C)CCOc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586989391 HGUVTNZNGVFKJN-UHFFFAOYSA-N 409.485 6.244 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@@H](NC(=O)OC(C)(C)C)CC4)-c1ccccc1C2=O 586996716 PFXRBDWVAARWGL-SFHVURJKSA-N 400.478 5.267 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(C(=O)OCC)cc2[nH]1 587034593 PSRQQIZWSJMELQ-KRWDZBQOSA-N 421.522 5.226 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc5cn[nH]c5cc4[nH]3)c(Cl)cc12 587078678 ZGRATFXZUMWLPO-NSHDSACASA-N 422.872 5.292 0 1 HKAF CCc1ccc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c1 587086818 MIHIQJJGJMYCQK-PKNBQFBNSA-N 411.336 6.156 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cn(Cc4ccc(Cl)cc4)nn3)nc3cccc1c23 587104360 RSJSOYWYTYYECS-UHFFFAOYSA-N 422.875 5.406 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(F)ccc3Br)nc3cccc1c23 587104423 TYPHWEOTKNGRPC-UHFFFAOYSA-N 404.238 6.015 0 1 HKAF Fc1c(Cl)cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1F 587122496 NJWYHWFEYYDTDR-UHFFFAOYSA-N 408.779 5.827 0 1 HKAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587196568 WBQZZTLJXFFOBY-JTQLQIEISA-N 412.253 5.562 0 1 HKAF CC(=O)NC1(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CCC(C)CC1 587233751 CGCNZNGNSNCBRI-UHFFFAOYSA-N 407.358 5.142 0 1 HKAF Nc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1-2 587332237 FQKWOFGLHYGNSZ-AHKZPQOWSA-N 423.443 5.397 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2c2ccccn2)[C@H]1c1ccc(F)cc1 587335384 HFVNJBOCGVIVDW-PBXXJUDPSA-N 403.453 5.382 0 1 HKAF COc1cccc(-c2cc(-c3cc(F)c(O)c(F)c3)nc3c2oc2ccccc23)c1 587360886 SZVXZMVZSDBHSG-UHFFFAOYSA-N 403.384 6.307 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2Oc2ccc(C(F)(F)F)cc21 587382289 LMXFAEVEZPBOII-JOCHJYFZSA-N 411.379 5.611 0 1 HKAF CCOC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1F 587385735 PMGYKAJEMCPBOA-QHCPKHFHSA-N 419.452 5.267 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1c1cccc(C(F)(F)F)c1)CC2=O 587463814 CJVCMNJNGKFAQU-PGRDOPGGSA-N 404.428 6.035 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1c1ccc(C(F)(F)F)cc1)CC2=O 587464618 UPYBIOPPWSYHRK-WMZHIEFXSA-N 418.455 6.425 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(=O)O)cc3)cc1)CC2=O 587478876 CETZAYJKRXIJKA-QHCPKHFHSA-N 402.446 5.416 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nc3ccc(-c4ccccc4)cn13)CC2=O 587491028 RBVPACQEILMCPV-QHCPKHFHSA-N 412.489 5.674 0 1 HKAF O=C1C[C@](c2ccc(O)cc2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587499409 IVDAAILPWYGPPH-RUZDIDTESA-N 404.893 5.833 0 1 HKAF Cc1ccc([C@]2(Cc3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587501952 AZWYDDKUKCIWCV-MHZLTWQESA-N 400.493 6.116 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587518217 CNKOHXWXXKDABS-RNHFSVANSA-N 411.542 5.079 0 1 HKAF CC(=O)N(c1ccccc1)c1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 587534749 FFBSBGSPMUPEFO-QFIPXVFZSA-N 418.518 5.413 0 1 HKAF CC[C@]1(c2cc(Cl)ccc2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587548839 QVACNNOZMSXNOU-NZQKXSOJSA-N 410.853 5.321 0 1 HKAF Cc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587575920 GXVMMLYJWJKLBG-ZEQKJWHPSA-N 411.457 5.503 0 1 HKAF CC(C)c1nn(C(C)(C)C)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582067 NPEOJDNAGZRQGV-CVDCTZTESA-N 406.482 5.170 0 1 HKAF O=C(c1c(-c2cccc(Br)c2)[nH]c2cc(Cl)c(F)cc12)C(F)(F)F 587628166 IIYUUARZGXXKLX-UHFFFAOYSA-N 420.587 6.135 0 1 HKAF COc1ccc(C(F)(F)F)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587711759 LZQNVYHNILGZJA-XYZCENFISA-N 418.228 5.239 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccccc2C(F)(F)F)N1 587714092 UPKCFVKQBDWVBC-BBATYDOGSA-N 416.256 5.599 0 1 HKAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)cc1 587787828 WZXJVTBXBDIUHK-VXGBXAGGSA-N 410.779 5.058 0 1 HKAF CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C\[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587816458 YLHGRKAKEWKVQN-GCJJHVNNSA-N 420.410 6.522 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2C(=O)c2ccccc2)N1 587824817 YWWCZOHHUIJGAU-AOSWFRPUSA-N 416.334 5.391 0 1 HKAF Cc1ccc([C@]2(c3ccco3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587830344 SPKSSUGAYKIDSR-SPLOXXLWSA-N 400.291 5.316 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1c(Cl)cc(Cl)cc1Cl 587860774 CEAUJVFTCPTWTJ-UHFFFAOYSA-N 421.633 6.527 0 1 HKAF COc1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2C)c(OC)c1 587929032 KGUQZORBYSASDQ-UHFFFAOYSA-N 412.411 6.241 0 1 HKAF Cc1c(Br)ccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c12 587956931 MJRROCFVAUCPBY-UHFFFAOYSA-N 423.395 6.552 0 1 HKAF Cc1c(F)ccc2c1[C@@](C)(c1c(Br)[nH]c(-c3ccncc3)c1C)NCC2 962093039 ONPLFUPOIXQFOH-NRFANRHFSA-N 414.322 5.004 0 1 HKAF CCCCOc1ccc(Cl)c([C@H]2c3cc(OC)c(OC)cc3C[C@H](C)N2C)c1F 962639163 VAUYJKAKKQAFEM-LFVRLGFBSA-N 421.940 5.641 0 1 HKAF CCCCCN1C(=O)[C@@]2(c3ccccc31)c1ccsc1CCN2Cc1ccco1 962706574 JOQGCZAJZQVDRJ-XMMPIXPASA-N 406.551 5.180 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CC)c1ccc(Cl)c(Br)c1 963243914 UFSKUFNCOZSGIR-YCRPNKLZSA-N 406.795 6.413 0 1 HKAF CN1CCc2c(Br)cccc2[C@]12CCc1c2[nH]c2ccc(Cl)cc12 963282208 WXQXBVDKQJCPGL-FQEVSTJZSA-N 401.735 5.262 0 1 HKAF NCc1cccc(-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cnc2N)c1 1857610138 BPALGYRZLAQYML-UHFFFAOYSA-N 411.349 5.494 0 1 HKAF CC1=C[C@H](CNC(=O)c2ccccc2)[C@@H](C(C)C)C[C@H]1Cc1nc2ccc(C)cc2[nH]1 2356286725 NXFZGXMVFJTUSP-YTFSRNRJSA-N 415.581 5.698 0 1 HKAF CC(=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](C)C(C)C 2356636746 SXOOOXJHQQTJJY-AFAADKLXSA-N 412.702 7.801 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc2c(c1O)C(=O)[C@H](O)[C@@H](c1ccccc1)O2 2356661771 OKUXAUZJIPCHNX-LOSJGSFVSA-N 408.494 5.010 0 1 HKAF COC(=O)C=C(OC)[C@@H](C)[C@H](C=Cc1csc(CCCCCC(C)C)n1)OC 2356868244 WZUBQUSSGYCRFH-HKUYNNGSSA-N 409.592 5.270 0 1 HKAF CCCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(Cl)cc3)n2)s1 8691899 GFODDHNUTNUCDX-UHFFFAOYSA-N 406.964 6.101 0 3 HKAF COc1ccc2c(ccn2CCCCCCCCCOC(=O)c2ccc[n+](C)c2)c1 26993653 QHYMLQVYJQDRMB-UHFFFAOYSA-N 409.550 5.062 0 1 HKAF Clc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccccn3)n2)cc1 28707537 HZQNGRKBCCZGKK-IBGZPJMESA-N 422.966 6.276 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C[n+]1cnc2c(ncn2C)c1N 28816841 SLUGLMFAVWOJQT-MLAGYPMBSA-O 422.641 5.984 0 1 HKAF CC[C@]1(C[C@](O)(Cc2ccnc3ccccc23)C(F)(F)F)CCCc2ccccc21 28826161 AKRFUARLUXZAGZ-DNQXCXABSA-N 413.483 6.145 0 1 HKAF CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cccc(C)n2)nc1CC 28956449 HZDVPISTKNEOJS-JTHBVZDNSA-N 418.541 5.212 0 1 HKAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](c1ccccc1)CC3=O 29133755 KGMSIYQCUCLJRG-LJQANCHMSA-N 416.473 5.636 0 1 HKAF C=C(c1ccccc1)c1cccc([C@@H](C)CN2CCCC[C@@H]2CC2CCCCC2)c1 29408161 GXQMYOOCLURGTN-MUAVYFROSA-N 401.638 7.677 0 1 HKAF CSc1sc(-c2ccnc(SCc3cccc(F)c3)n2)c2c1C(=O)CCC2 33651022 CRVXOAPLRFFCBN-UHFFFAOYSA-N 416.568 5.877 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@]13C 33831792 KPUDOJPVQQJLGI-FOBOVUOSSA-N 424.713 8.521 0 1 HKAF biogenic,in-vitro CC(=O)O[C@H]1C[C@@]2(C)[C@@H]3CCC(C)=CCO[C@@]3(C)CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12 36444093 BTAWZZWVNLKTFR-ZXVLIKPDSA-N 416.646 6.702 0 1 HKAF CC[C@@H](C)[C@H]1O[C@]1(C)[C@]1(O)C(C)=C[C@@H]2CC(C)=CC[C@H]2[C@@H]1/C=C/C=C/C=C/C(=O)O 38216005 UMJNSMGAKMOMGN-UCGSJFBRSA-N 412.570 5.223 0 1 HKAF COc1cc(C)cc2c(-c3c(C)cc(O)c4c(OC)c(O)ccc34)c(O)cc(OC)c12 38427815 KYRRSHUVTJJQPB-UHFFFAOYSA-N 420.461 5.419 0 1 HKAF biogenic O[C@@H]1c2ccccc2O[C@@H](c2ccc(OCCN3CCCC3)cc2)[C@@H]1c1ccccc1 45351738 WJUZCUCUSWFOHJ-PFBJBMPXSA-N 415.533 5.112 0 1 HKAF FC(F)(F)c1ccc([C@@H](c2cccnc2)N2CCC(Oc3ccccc3)CC2)cc1 72102039 TVUHMDAIYAYUDC-QHCPKHFHSA-N 412.455 5.733 0 1 HKAF Cc1ccc(CNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccco3)n2)o1 82165330 RHAZAOCDYNFSSG-UHFFFAOYSA-N 412.449 5.881 0 1 HKAF CCCCc1nnc2c(C(F)(F)F)c(N3CCC(c4ccccc4)CC3)ccn12 95574501 OVHBEKVNHLICMZ-UHFFFAOYSA-N 402.464 5.475 0 1 HKAF O=C(O)c1ccccc1N1[C@@H](c2ccccc2)[C@]12C(c1ccccc1)=Nc1ccccc12 103276170 PZYONBNJBIMXJR-HSEOLAPHSA-N 416.480 5.976 0 1 HKAF CCCC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@@H]1c1ccc(SC)cc1 104005155 CEXHUPRMKIEGNR-DEOSSOPVSA-N 406.551 6.365 0 1 HKAF Cc1ccc(Nc2cnc(-c3cccc(C(=O)N4CCCC4)c3)c(C)c2)c(C(=O)O)c1 113898606 JNQCBLVXVNORGB-UHFFFAOYSA-N 415.493 5.043 0 1 HKAF CNC[C@@H](c1ccc(-c2c(O)cc(C)c3[nH]c(=O)c4sccc4c23)cc1F)C(C)C 164945173 KUHQUAWXAIOBAL-QGZVFWFLSA-N 424.541 5.522 0 1 HKAF CCC(CC)C(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)CC1 166875648 HWJLEEWSWFPTDB-UHFFFAOYSA-N 417.553 5.286 0 1 HKAF FCCc1ccc([C@]2(c3cccs3)C[C@@H]3c4ccccc4[C@@H]2c2cccc[n+]23)s1 169352026 NMLFXWQVLHDUDJ-NQHRYMMQSA-N 418.582 6.034 0 1 HKAF c1ccc(CN2[C@@H](c3ccccc3)C3=C(NO[C@@H]3c3cccnc3)[C@H]3CCCC[C@@H]32)cc1 195451825 KURMYIOERUOJAA-NQPYUKKHSA-N 423.560 5.728 0 1 HKAF CC[C@@H](NC(=O)c1ccc2c(ccn2C(=O)c2cccc(F)c2F)c1)c1ccccc1 205999620 WHFGIDAZBKTDRV-OAQYLSRUSA-N 418.443 5.489 0 1 HKAF COc1ccccc1[C@@H](c1ccc(OCCN2CCCCCC2)cc1)c1cccs1 206287502 UOTTXQLAHNDXHQ-AREMUKBSSA-N 421.606 6.192 0 1 HKAF CC1=CC[C@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]2[C@@H]1C 238751699 CJRZLPSJKBMUPM-UIFSYISPSA-N 424.713 8.233 0 1 HKAF C/C=C(\C)C(=O)O[C@H]1C[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@@H](C)[C@H]1OC(=O)/C(C)=C/C 238772149 VFXPFKHNRXPZTI-LAPIIMOZSA-N 414.542 5.105 0 1 HKAF Oc1ccccc1-c1nc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cs1 238784584 GRPVXIRSGACTEG-UHFFFAOYSA-N 421.525 6.659 0 1 HKAF c1ccc(CN2[C@H]3CCCC[C@H]3C3=C([C@@H](c4ccccc4)ON3)[C@H]2c2ccccc2)cc1 254127721 AXWBMVPUDJKFSZ-WAWARTBOSA-N 422.572 6.333 0 1 HKAF C[C@H]1CC[C@]2(NC1)O[C@@H]1C[C@@H]3[C@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 255282618 XYNPYHXGMWJBLV-CVXDYHKGSA-N 415.662 5.367 0 1 HKAF O=C(N[C@H]1CC[C@H](CNc2cccnc2)CC1)c1cc(C(F)(F)F)ccc1Cl 261171846 TXMARZZBGFWVMT-CTYIDZIISA-N 411.855 5.155 0 1 HKAF Cc1ccsc1C(=CCCN(C)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1sccc1C 299844862 FEGGKQVAYBVKDT-XEYPJELSSA-N 413.608 5.455 0 1 HKAF COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccccc3)[nH]c2c1 473104971 QVDLYPVIEXVBNZ-UHFFFAOYSA-N 417.461 5.100 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3nc(Br)ccc3Cl)nc2c1 587004910 CTJAUTBDCFKCPC-UHFFFAOYSA-N 401.489 5.112 0 1 HKAF Cc1ccc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c2c1 587013001 GEMAMVBCJZZDMG-UHFFFAOYSA-N 415.949 6.906 0 1 HKAF CCc1ccc(-c2nc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)cs2)cc1 587015376 BOXDNRGQHPQSQJ-UHFFFAOYSA-N 423.847 6.468 0 1 HKAF c1ccc2sc(-c3ccc4nc(-c5csc([C@H]6CCCO6)n5)[nH]c4c3)nc2c1 587017931 PXGAHGKIINIYEK-QGZVFWFLSA-N 404.520 5.815 0 1 HKAF Fc1c(Br)ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587017978 URRORQCOTQVOTK-UHFFFAOYSA-N 416.275 5.190 0 1 HKAF O=C(O)c1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1F 587069564 KEASDBAIXOIOJR-ATVHPVEESA-N 420.871 6.227 0 1 HKAF Cc1c(Br)cnc2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc12 587159602 UHTUURDITOLZEZ-UHFFFAOYSA-N 422.261 5.174 0 1 HKAF CCC[C@H]1CC[C@H]([C@@H]2CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)CC1 587206696 GVPGXUUYZDMKIV-VAMGGRTRSA-N 409.573 7.158 0 1 HKAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc4ccccc4cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587239363 JPBHYDNXMSAUFQ-SZUKKWSHSA-N 421.541 5.271 0 1 HKAF COc1c(C)cc(C)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352906 PMSCYXGWVXHVLB-RDGATRHJSA-N 406.453 5.431 0 1 HKAF C[C@@]1(c2cnc3ccsc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587375133 RDBQWZDTTMPJMW-GGAORHGYSA-N 405.450 5.415 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)(C13CC4CC(CC(C4)C1)C3)O2 587405905 OCDWXICJJLUCGW-UTRYOTDBSA-N 401.550 5.740 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ncccc4C(F)(F)F)cc1)[C@@H](C2)C3=O 587420586 LDZBIGCYXZIBCQ-AOMKIAJQSA-N 411.379 5.265 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3cc(Br)ccc31)CC2=O 587456758 AYHLWWRZQZCOHV-NRFANRHFSA-N 401.300 5.304 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccccc3F)nc3sccn13)CC2=O 587469123 WKTDRLWOFOUHPM-IBGZPJMESA-N 422.481 5.567 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1SC)CC2=O 587493955 UWHSMFXQJBUWFZ-QGZVFWFLSA-N 407.329 5.536 0 1 HKAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(F)(F)F 587502323 VBJQWCKCAUXERP-IBGZPJMESA-N 406.400 5.222 0 1 HKAF O=C1C[C@](c2ccc(Cl)cc2)(c2cc(F)ccc2O)Oc2c1ccc1c2CCCC1 587507967 WPNLMBZPKREACJ-VWLOTQADSA-N 422.883 5.973 0 1 HKAF CC(C)(C)OC(=O)NC[C@H]1CCCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587511729 NCYYGACXFLJKBJ-IQGLISFBSA-N 413.558 5.374 0 1 HKAF O=C1C[C@H](c2nc3cc(Br)ccc3s2)Oc2c1ccc1c2CCCC1 587535901 PIBNFHQWVLMUPC-QGZVFWFLSA-N 414.324 5.644 0 1 HKAF C[C@@]1(Cc2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540967 CLODMEDCWMTGRV-UGKGYDQZSA-N 415.272 5.662 0 1 HKAF CCCCn1nc(C)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550198 VINFALBWZOLRQA-HTAPYJJXSA-N 412.873 5.054 0 1 HKAF CN(c1ccccc1)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587569562 GRSFSDFENIORDW-OZXSUGGESA-N 424.456 5.258 0 1 HKAF Cn1c2c(c3ccccc31)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576512 JGHGVWQMBUQUCG-JYFHCDHNSA-N 411.457 5.077 0 1 HKAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1-c1ccccc1 587595766 SLLNMMAFANCVEW-SQHAQQRYSA-N 424.452 5.771 0 1 HKAF CC(C)CCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602847 ZIFJPKBUSXQAJA-BVAGGSTKSA-N 402.490 6.076 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3ccc(Cl)c(Cl)c3)[nH]c12 587624843 UXRBVFCFUWHLIR-UHFFFAOYSA-N 406.618 6.849 0 1 HKAF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 587629917 NQIKOXKTKZIYOF-UHFFFAOYSA-N 405.178 6.193 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2cc(Cl)cc(Cl)c2)N1 587700141 LURFPUKOCMSPSU-YPMLDQLKSA-N 417.149 5.887 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(C(C)(C)C)N1 587702276 OXJSJXCHEASHCZ-MPBGBICISA-N 410.758 6.066 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C(F)(F)Cl)N1 587705304 MPIDEYIRSZZLFB-QLJPJBMISA-N 404.657 5.198 0 1 HKAF CCCCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587713285 BXJPEQRFCXVEMY-YUNKPMOVSA-N 410.302 5.530 0 1 HKAF COc1c(F)cc(CC[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587722945 USKVDXZITRFRCK-MGPLVRAMSA-N 414.265 5.083 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2CN2CCCCC2)N1 587765188 ISGAFBKBBBWAFH-NYHFZMIOSA-N 417.366 5.198 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc3nc(C(C)(C)C)oc23)N1 587779767 VVPXVPAYGXBAAQ-BMLIUANNSA-N 418.310 5.046 0 1 HKAF Cc1ccc([C@]2(C3CCCCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587821210 TYPOZPHXHHNVSJ-HJPURHCSSA-N 416.378 6.255 0 1 HKAF CC(C)c1cc([C@]2(C(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587822762 QYOLDODHNUYPHZ-PEBXRYMYSA-N 420.366 5.851 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC2CCOCC2)(c2ccccc2)N1 587834030 JTSHWYYITLPUJK-NYHFZMIOSA-N 418.350 5.183 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncnc2c(C)csc12 587866418 CNEVTUWDFIWOOT-UHFFFAOYSA-N 404.417 5.270 0 1 HKAF COc1ccc(CCCc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1OC 587924701 BQRITJIWVVVEJU-UHFFFAOYSA-N 404.535 5.907 0 1 HKAF CCOc1cc(-n2c(-c3ccccc3)ccc2-c2ccccc2)c(Cl)cc1C(=O)O 587941809 SIUUXWOTNVHHFC-UHFFFAOYSA-N 417.892 6.562 0 1 HKAF CCO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1 617988257 NQXOYMWFPGPQFY-CFBLSMTOSA-N 411.310 5.450 0 1 HKAF Cc1ccnc2c1CCN[C@]2(c1c(Cl)cccc1Cl)c1cncc2ccccc12 963068141 KADDBJMBQBEJGU-DEOSSOPVSA-N 420.343 5.683 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCC1OCCCO1)c1ccccc1OCC 963222738 CKLJXZOYTHDPRS-IDISGSTGSA-N 423.597 5.529 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C[C@H](C)CC(=O)O)c1ccc(C(C)(C)C)cc1 963243448 SLHGPGVJQKJATI-CJYOKPGZSA-N 421.625 6.385 0 1 HKAF CN1CCc2c(Br)cccc2[C@@H]1c1ccc(-c2ccccc2Cl)o1 963280743 OQTIOJBDKXPLHY-HXUWFJFHSA-N 402.719 5.940 0 1 HKAF COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccs4)c(N)oc3c2)cc1OC 1772645952 AMWFHJNGTXRWGD-UHFFFAOYSA-N 409.463 5.353 0 1 HKAF FC(F)(F)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)c3ncccc3n2)cc1 1857634063 WHRFKGNXKZXBOG-UHFFFAOYSA-N 418.340 7.001 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@]1(O)C[C@H]3O 2356424267 LNNXWNOUIHYAOR-SRJJYFGMSA-N 420.678 5.554 0 1 HKAF C[C@H](C1=NC[C@H](C)CC1=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356549045 PFDDAGIZOOZFQC-AEZMNKBTSA-N 413.646 5.692 0 1 HKAF CC(C)=CCc1c2c(cc3c1O[C@@H]1Oc4cc(O)ccc4[C@H]1C3=O)C=CC(C)(C)O2 2356725808 UMUPYTNUCKMVFH-RDPSFJRHSA-N 404.462 5.163 0 1 HKAF CC1=C(C(C)C)[C@]1(C)C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356807574 XWJYKMIJDLSPOV-DPUQDVBOSA-N 424.713 7.945 0 1 HKAF CS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2cccc(Cl)c2)cc1 13487277 CRGZWBWDBXRBOT-UHFFFAOYSA-N 410.878 5.184 0 1 HKAF CC(C)Oc1ccc(C(=O)N(CCc2ccccc2Cl)[C@H]2CCSC2)cc1 28823643 YUPRJOJXEFMKBX-IBGZPJMESA-N 403.975 5.318 0 1 HKAF CCCCC[C@@H](CC)COC(=O)c1ccccc1C(=O)OC[C@H](CC)CCCCC 33605770 SGKJLUZIKNCQOM-FGZHOGPDSA-N 418.618 7.213 0 1 HKAF biogenic CC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nn3cc(C(F)(F)F)ccc23)n1 34636201 CBHFUORPRUTHHG-UHFFFAOYSA-N 415.394 5.437 0 1 HKAF O=C(Nc1cccc(OCc2ccc(-c3cc(F)ccc3F)cc2)c1)C1CCNCC1 40847982 DNECXSXCEQHLFE-UHFFFAOYSA-N 422.475 5.149 0 1 HKAF Cc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(Br)cc32)cc1 40875076 MEIWTPWPFSMVPA-MRXNPFEDSA-N 405.361 5.346 0 1 HKAF CCc1ccc(CN2CCC(NC(=O)c3ccc(-c4ccccc4F)s3)CC2)cc1 45189834 BEYYDGIOMINCNR-UHFFFAOYSA-N 422.569 5.511 0 1 HKAF O=C(NCCCN(c1ccccc1)c1csc2ccccc12)c1ccc(F)cc1 64559594 HDWFRQCSEVKURZ-UHFFFAOYSA-N 404.510 5.999 0 1 HKAF Cc1cc(C)nc(OCCCn2c3c(c4cc(-c5ncco5)ccc42)CCCC3)n1 95572795 FIOKJVSURULZLG-UHFFFAOYSA-N 402.498 5.051 0 1 HKAF CC(=O)[C@@H](CCCCCCC(=O)O)CCC[C@@H](O)COc1ccc(C(C)(C)C)cc1 169316944 IOWSXDNPRCVHGW-RBBKRZOGSA-N 420.590 5.525 0 1 HKAF Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(CC(C)C)[nH]2)cc1 218558412 XWGYKGHLTWNIHH-UHFFFAOYSA-N 407.514 5.135 0 1 HKAF CC(C)CC(=O)C[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255233406 MFRSYEFNIGJEOG-QBDSJARVSA-N 418.662 5.618 0 1 HKAF CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1CC[C@@H](CC[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCCNCCN 299846496 AGUOAJQIHZPFDT-YGOFSVLOSA-N 417.726 5.198 0 1 HKAF Cc1cccc(-c2ccccc2)c1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 586878147 CVJHXLKOLMDXGR-UHFFFAOYSA-N 421.338 6.755 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(Br)cccc3[nH]2)cc1 586878353 FHOVCQKVUFVDNS-UHFFFAOYSA-N 407.267 5.666 0 1 HKAF Cc1c(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)oc2c1[C@@H](O)CCC2 586905416 NYCZYOMFHAKNLJ-NSHDSACASA-N 415.209 5.282 0 1 HKAF Cc1cc(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)ccc1Br 586976461 LLJYDJKPZHSSRC-UHFFFAOYSA-N 401.251 5.837 0 1 HKAF Cc1nc2ccc(O)c3c2c(c1Cc1cccc(C(F)(F)F)c1)-c1ccccc1C3=O 586987332 VSGAYZZWGDCTKQ-UHFFFAOYSA-N 419.402 6.070 0 1 HKAF c1csc(SCc2c(-c3nc4cc5c(cc4[nH]3)OCO5)oc3ccccc23)c1 587010628 FOYXDXZNFZTCCS-UHFFFAOYSA-N 406.488 6.059 0 1 HKAF Fc1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1Br 587017149 HECZVRYHDCTIDJ-UHFFFAOYSA-N 416.275 5.190 0 1 HKAF CCOC(=O)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc2c1 587030951 MQVMFISMJZLHMU-CQSZACIVSA-N 405.523 5.699 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Cl)c(F)cc2[nH]1)c1cccc(Cl)c1 587071778 PZBFXCKMGUWHIH-OAHLLOKOSA-N 424.303 5.817 0 1 HKAF NC(=O)c1cccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587072311 YDABRJHLENMJOM-XFXZXTDPSA-N 403.869 5.065 0 1 HKAF COc1ccc(C(=O)c2ccccc2-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1F 587145425 YDICWYHPHYAKKF-UHFFFAOYSA-N 416.786 5.540 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c(Cl)c2)cc1F 587145650 PAOBHMNZFIHJJK-UHFFFAOYSA-N 404.794 7.017 0 1 HKAF Cc1cc(Br)cc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 587167886 ZDMYPSJONYJJCQ-MRXNPFEDSA-N 417.282 5.142 0 1 HKAF COc1cccc(-c2c(Cc3ccc(OC(C)C)cc3)cnc3c2oc2ccccc23)c1 587364228 ZAKQGBNQDOHEKG-UHFFFAOYSA-N 423.512 7.035 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(C(=O)O)cc2CC3)c1 587365019 CHBJIAIPBRGOFY-UHFFFAOYSA-N 421.452 6.120 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(F)(F)F)cc1Br)O2 587382359 PCGIZADKLCJQRK-OAHLLOKOSA-N 400.194 5.065 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cccc(OC)c1)(c1ccccc1Cl)CC2=O 587461675 LSPLOKOPWDGGAR-RUZDIDTESA-N 422.908 5.916 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C3(CCC3)C1)CC2=O 587483910 FGJOSUUQPDETAI-XMMPIXPASA-N 415.530 5.002 0 1 HKAF Cc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538189 CWDSKEXOIQRQFI-RXVVDRJESA-N 411.251 5.166 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)cc(Cl)cc1Cl 587544688 NIXGQSAXROJCSN-FXAWDEMLSA-N 403.217 5.108 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(F)c2)nc1 587570546 LGAVKEZQGNBFSO-RCZVLFRGSA-N 413.404 5.296 0 1 HKAF Cc1cccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 587602567 JZRNGCIIGRHXSG-SQHAQQRYSA-N 408.453 6.071 0 1 HKAF O=c1ncccn1-c1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627583 DNKJLSBUTHQNJP-UHFFFAOYSA-N 423.316 5.418 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H]2c2ccccc2Cl)N1 587692630 BONSKQAZKHVMFT-RAJNIJHNSA-N 408.742 5.939 0 1 HKAF Cc1ccc2nc(Cl)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587707694 WJDVRAXUFRUDFZ-NSPYISDASA-N 419.725 5.722 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)cc2C(F)(F)F)N1 587713323 SNLPPKKROBMHTQ-XYZCENFISA-N 420.219 5.544 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccc(F)cc3)cs2)N1 587735040 OOQSNHSGIHVYGK-MGNBDDOMSA-N 421.310 5.474 0 1 HKAF FC(F)(F)c1cc2nc(COC/C=C\c3ccccc3)[nH]c2cc1Br 587780578 DMTHBBGMXKFVAM-DAXSKMNVSA-N 411.221 5.574 0 1 HKAF CCCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587798145 XPWGOLXIMXSDSU-FKIZINRSSA-N 408.311 5.009 0 1 HKAF CCCCC[C@H](C(=O)OCC)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798493 ONTGVOIGXHIQJG-XBHMSOGKSA-N 414.359 5.097 0 1 HKAF COc1ccccc1C[C@@H]1CCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587811057 UUYLCXZPTHJZOI-AOSWFRPUSA-N 418.350 5.369 0 1 HKAF Cc1cccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587815364 LWDKKAROTDHRFQ-MWTRTKDXSA-N 410.330 5.723 0 1 HKAF C[C@@H](Cc1ccc(C(C)(C)C)cc1)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587821436 VATDLGCAFFSVED-KIMHZCHSSA-N 418.394 6.340 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccccc3)o2)N1 587831696 YATRLSPRGVQEFR-FKIZINRSSA-N 402.263 5.597 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)sc2Cl)N1 587844352 NDRMFZBRPNTPFC-NZFNHWASSA-N 409.151 5.754 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2Cc2cccs2)N1 587852105 KLDVKTLGDHFXIJ-HXPMCKFVSA-N 405.336 5.123 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccsc3)s2)N1 587854668 RVOZQTOEYSDKFX-JDNHERCYSA-N 409.349 5.397 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccnc(C(F)(F)F)n1 587856432 VWPPEOBNQNXJJQ-UHFFFAOYSA-N 403.191 5.054 0 1 HKAF O=C(O)CCCCCCCCCCCCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587957256 UMAQBOPBDOQYMY-UHFFFAOYSA-N 416.459 6.639 0 1 HKAF Cc1cc2c(cc1F)[C@@](c1ccc(CN3CC=CC3)cc1)(c1ccccc1C)NCC2 962142891 GZBHDUARTSNXHI-MUUNZHRXSA-N 412.552 5.252 0 1 HKAF COc1cc2c(cc1OC)[C@](c1ccc(F)cc1F)(C1CCCC1)N(C)[C@@H](C)C2 962624087 DHCPJWFTKGEAEF-IZHWHUGBSA-N 401.497 5.292 0 1 HKAF COc1cccc([C@@]2(c3cccc(C)n3)NCCc3cc(-c4ccccc4)ccc32)c1 962661691 KEECUAFDISNMCF-MUUNZHRXSA-N 406.529 5.503 0 1 HKAF CCC(C)(C)[C@]1(c2ccc(Cl)cc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962728057 BXKNXNOOKPJMDK-WIYYLYMNSA-N 409.879 5.666 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@@]3(CC(C)(C)C)c1ccc(F)c(Cl)c1 963060795 XABBAHJBSPKYCN-DEOSSOPVSA-N 412.936 5.861 0 1 HKAF COc1ccc([C@@H]2NCCc3c(C)ccnc32)cc1COc1cc(C)c(Cl)c(C)c1 963084556 DZZTYLYMBXFHAK-DEOSSOPVSA-N 422.956 5.483 0 1 HKAF CC(C)Nc1nc2ccccc2nc1N1CCC(Oc2ccc(Cl)cc2F)CC1 1857566662 JSVYITZOPWYXSY-UHFFFAOYSA-N 414.912 5.290 0 1 HKAF CCOc1ccc(-c2cc(C(=O)c3ccccc3)c3ccc(C(=O)OC)ccc2-3)cc1 1857648533 UHKSEQARCQELTJ-UHFFFAOYSA-N 410.469 5.875 0 1 HKAF CC(C)[C@H](C)[C@@H]1C[C@H]1[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356487493 CMQUZVIEHACIBO-KADCDPDESA-N 412.702 7.491 0 1 HKAF CC(=CCCC1=CC(=O)O[C@H]1O)CCC=C(C)CCC1=C(C)[C@@H](O)CCC1(C)C 2356626000 HIRZCXOPFLDJON-LADGPHEKSA-N 402.575 5.519 0 1 HKAF CC(=CCCC1=CC(=O)O[C@@H]1O)CCC=C(C)CCC1=C(C)[C@@H](O)CCC1(C)C 2356626001 HIRZCXOPFLDJON-UPVQGACJSA-N 402.575 5.519 0 1 HKAF N[C@@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2nncc3ccccc23)n1 61907700 PQLUHQFLWXKCKY-INIZCTEOSA-N 415.444 5.091 0 3 HKAF O=C1N(c2ccc(Cl)c(Cl)c2)CCCN1[C@H](CN1CCCC1)c1ccccc1 598524 NPDBPGDSXQAMCB-OAQYLSRUSA-N 418.368 5.463 0 1 HKAF ClC(Cl)(Cl)c1nc(Nc2ccccc2)nc(C(Cl)(Cl)Cl)n1 2011176 YONBFMGLEWNMJA-UHFFFAOYSA-N 406.915 5.269 0 1 HKAF Oc1ccc(-c2nn3c(C(F)(F)F)cc(C(F)(F)F)nc3c2-c2ccccc2)cc1 13584994 WTGPATKANXGRQA-UHFFFAOYSA-N 423.316 5.807 0 1 HKAF CCCc1cc(C(=O)CC)cc(CCC)c1C[C@H](C(=O)O)c1ccc(C(C)C)cc1 13646483 UVINFDHZYLCVTC-VWLOTQADSA-N 408.582 6.719 0 1 HKAF CCN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc21 28243075 JOLOUZJAXJSROX-HSZRJFAPSA-N 411.480 5.122 0 1 HKAF COc1ccc(NC(=O)c2sc3cc(C(=N)NC(C)C)ccc3c2Cl)cc1 28474303 DOZCRCZRQWPRGJ-UHFFFAOYSA-N 401.919 5.139 0 1 HKAF CCCC[C@H](O)CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28528726 IQHQCVIBXRNUMY-QHCPKHFHSA-N 421.560 5.613 0 1 HKAF COc1cc2c(c(O)c1CC=C(C)C)C[C@H](c1ccc(O)c(CC=C(C)C)c1O)CO2 33832265 WYYPXSKKDUYWFW-KRWDZBQOSA-N 424.537 5.548 0 1 HKAF biogenic Clc1ccc([C@H](c2ccccc2)N2CCN([C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)cc1 35901831 BEMCBSQBMKYLNS-MPYVGDORSA-N 423.044 6.406 0 1 HKAF O=C(O)c1cccc(-c2nccnc2-c2cc(Cl)ccc2OCc2ccccc2)c1 40564784 LEKGNTCKYBKOGI-UHFFFAOYSA-N 416.864 5.741 0 1 HKAF CC(C)=CCc1cc2c(cc1O)OC[C@@H]1c3cc(C)c(O)c(CC=C(C)C)c3O[C@@H]21 43120073 RBWZJDQLHCNCDG-RLWLMLJZSA-N 406.522 6.033 0 1 HKAF biogenic O=C(Nc1ccc(F)c(Cl)c1)N[C@H]1CCN(c2ccnc3cc(Cl)ccc23)C1 45227207 DTCCMXNGIUTKEX-AWEZNQCLSA-N 419.287 5.081 0 1 HKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)C[C@@H]2C1=CCN(Cc2cccnc2)CC1 45355761 WFNOFCSOWHFAOU-HSZRJFAPSA-N 420.597 5.997 0 1 HKAF O=C(O)Cc1sc(Cc2ccccc2-c2ccccc2)nc1-c1ccc(Cl)cc1 45384986 XSEQEOCIQGGXMC-UHFFFAOYSA-N 419.933 6.348 0 1 HKAF C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(CCc3ccccc3)C[C@@H]21 73163507 MEFBNOXISJBUAP-HGHGUNKESA-N 412.499 6.027 0 1 HKAF CC(C)NC[C@H](O)COc1ccc2c(c1C(C)C)CC[C@H]1C(C)(C)CCC[C@]21C 73199035 REOYLLQJTPHNAT-FPDDQMOCSA-N 401.635 5.578 0 1 HKAF O=C(NCC1CCCCC1)c1cnc(NCc2ccccc2)nc1-c1ccc(F)cc1 82139471 ZLBDJGXAKJJONA-UHFFFAOYSA-N 418.516 5.205 0 1 HKAF C/C(=C\C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3)C(C)C 86051111 CHNFUJXCFBEAFX-PSZZHPECSA-N 412.702 8.089 0 1 HKAF O=C(Nc1cccc(Oc2ccc3nccn3n2)c1)Nc1cccc(C(F)(F)F)c1 95564073 FISKNRRMNMXILF-UHFFFAOYSA-N 413.359 5.184 0 1 HKAF Clc1ccc(NCc2cncn2Cc2cccc3cc[nH]c23)cc1-c1ccccc1 96940278 XLPYDZWEAWTAEN-UHFFFAOYSA-N 412.924 6.345 0 1 HKAF CCCCCOc1cc(O)c2c(c1CC=C(C)C)O[C@@H](c1ccc(O)cc1)CC2=O 103203962 UIDLZBRSXGBSMF-JOCHJYFZSA-N 410.510 5.882 0 1 HKAF CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 121263297 CSVWWLUMXNHWSU-LMAYJXSQSA-N 414.718 7.881 0 1 HKAF FC(F)(F)c1ccccc1-c1nccc(NCc2ccc(-c3cccnc3)cc2)n1 169304942 PMSCGDOBXVAQEJ-UHFFFAOYSA-N 406.411 5.837 0 1 HKAF Cc1nc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1[C@@H](C)C(=O)O 169334482 GZHACSHOVRMHTE-SNVBAGLBSA-N 404.691 5.814 0 1 HKAF O=C1Nc2ccccc2[C@@H](O)C1(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 169346089 FUXSCXURCIRELX-OAQYLSRUSA-N 412.316 5.451 0 1 HKAF Cc1ccc2c(c1)N[C@@H](c1ccccc1C(F)(F)F)[C@H]1C(=O)CC(C)(C)CC1=N2 169722107 ZUCHWKPGLUKNAN-RTWAWAEBSA-N 400.444 6.258 0 1 HKAF Cc1nn(CCC(C)(F)F)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2 200981336 AXLNGHICNRTHMP-UHFFFAOYSA-N 415.415 5.041 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CC[C@@H](O)C(C)(C)C2=CC[C@]13C 238765505 LLRVCQAXPJHEOB-DUWCPVRDSA-N 424.713 8.233 0 1 HKAF Oc1ccc(OCc2ccc3ccccc3n2)cc1[C@]1(c2ccccc2)C[C@H]2CC[C@H]1C2 254058102 ZKLNDDMIESNWFZ-JHBZDSIHSA-N 421.540 6.626 0 1 HKAF Fc1ccc(Nc2ccnc(NCCCNc3ccnc4cc(Cl)ccc34)n2)cc1 299823488 DTBMCEHBROSKFY-UHFFFAOYSA-N 422.895 5.475 0 1 HKAF CN(C)Cc1cc([C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c(O)c([C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c1 299882051 PCMPQMUZQDZRPE-FVUAUVAWSA-N 423.685 7.313 0 1 HKAF CCCCNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 299887967 ZRHVKZXRQGYKEA-CMCXCUNFSA-N 420.601 5.465 0 1 HKAF CCC(C)(C)c1ccc(-c2nc3cc(Br)c(OCC(C)C)cc3[nH]2)cc1 586881454 MEEOXGIAJRZBFU-UHFFFAOYSA-N 415.375 6.715 0 1 HKAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(Br)cc(Cl)c2[nH]1 586964408 YYKWXFPUHFJTGF-LLVKDONJSA-N 413.728 5.026 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586981245 MTEMHMDEKFTSGB-UHFFFAOYSA-N 424.195 5.648 0 1 HKAF Nc1cc(-c2ccccc2)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586994508 VTYAQGGOIYKIFU-UHFFFAOYSA-N 420.493 6.130 0 1 HKAF Clc1cc(Cl)cc(-c2nc(-c3nc4cc5c(cc4[nH]3)OCCO5)cs2)c1 587015248 IKHSBYZHTWNAHB-UHFFFAOYSA-N 404.278 5.431 0 1 HKAF Cc1nc(COc2cccc(-c3nc4cc(Br)c(C)nc4[nH]3)c2)cs1 587020508 UFUQRVGPAFAZSK-UHFFFAOYSA-N 415.316 5.040 0 1 HKAF COc1cc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2cc1Cl 587031345 FIBDXMYCCXPMHV-UHFFFAOYSA-N 419.934 5.247 0 1 HKAF CCOC(=O)c1ccc(Cc2cnc3c(C)ccc4c3c2-c2ccccc2C4=O)cc1 587096650 GAQYNYMJVTVZHR-UHFFFAOYSA-N 407.469 5.522 0 1 HKAF Cc1ccc2c3c(c(Cc4ccc(-c5ccccc5)cc4)cnc13)-c1ccccc1C2=O 587100369 IBWBOGDZEDLLGJ-UHFFFAOYSA-N 411.504 7.012 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587104610 SEDLSOJODWJRFI-OAHLLOKOSA-N 414.505 5.170 0 1 HKAF COC(=O)c1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587112515 VFZUEMANVNAYTH-UHFFFAOYSA-N 416.321 5.172 0 1 HKAF FC(F)(F)Oc1cccc(CSCc2nc3cc(Br)ncc3[nH]2)c1 587126135 VRPDMKJJQWPTLB-UHFFFAOYSA-N 418.238 5.052 0 1 HKAF Cc1nc2[nH]c(/C(=C\c3ccc(F)cc3)c3cccs3)nc2cc1Br 587164639 UOFJCYUHVBLBIR-ZROIWOOFSA-N 414.303 5.818 0 1 HKAF Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(F)cc1Cl 587332463 LOUXNRPFTPOSMM-GGAORHGYSA-N 414.835 5.907 0 1 HKAF Cn1c(O)cc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 587341216 IXLKFNHGTUCZAV-UKILVPOCSA-N 417.436 5.003 0 1 HKAF COc1cccc(-c2cc(-c3ccc(NC(C)=O)cc3C)nc3c2oc2ccccc23)c1 587361923 CAXAEVBXIRJAAJ-UHFFFAOYSA-N 422.484 6.590 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1cc4c(cc1C)C(C)(C)[C@@H](C)C4(C)C)[C@@H](C2)C3=O 587443446 AFMRCXDPXWXMSL-BIAONLRJSA-N 404.550 5.871 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccccc3)c3ccccc13)CC2=O 587474688 GPSPNSHNWDBUFK-AREMUKBSSA-N 411.501 6.054 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC3=NC[C@@H](CC)S3)cc1)CC2=O 587498227 ZLQSPKCMNKVKIX-OSPHWJPCSA-N 424.566 5.519 0 1 HKAF O=C1C[C@H](c2ccc(-c3ccccc3C(F)(F)F)o2)Oc2c1ccc1c2CCCC1 587509237 RGONFWYSQAUCTO-JOCHJYFZSA-N 412.407 6.551 0 1 HKAF CC(C)(C)OC(=O)N1CCc2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c21 587511900 AIAURPRSIODOGN-JOCHJYFZSA-N 419.521 5.570 0 1 HKAF O=C1CC2(C[C@@H]3CCC[C@@H](C2)N3Cc2ccccc2)Oc2c1ccc1c2CCCC1 587519289 XUSMGHTYAUMCEO-VXKWHMMOSA-N 401.550 5.487 0 1 HKAF CCCCCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587595569 KVZOWGLAUUXVDP-JYFHCDHNSA-N 418.489 5.838 0 1 HKAF COc1ccccc1-c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587599830 HWFZYOYUAJAXEX-RPLLCQBOSA-N 424.452 5.771 0 1 HKAF Cc1ccc(O)c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587608239 KNZGHSJUKSUMNU-RPLLCQBOSA-N 424.452 5.312 0 1 HKAF CC(C)(C)[C@@]1(c2cc3ccccc3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587617036 OEIJQPUCIXBSFN-NVQXNPDNSA-N 414.457 6.042 0 1 HKAF Cc1c(Cl)cccc1NC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661318 NVWRNZDYVHVLGY-UHFFFAOYSA-N 423.900 5.410 0 1 HKAF Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587678052 MUJNFEJHOKWIEV-QGHHPUGFSA-N 413.128 5.283 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(C(F)(F)F)c2)N1 587710370 FYABFAMRGAZUQK-VVVCHXIZSA-N 418.228 5.110 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C)c2ccc(C(F)(F)F)cc2)N1 587717299 WUWWVSTZUNQGSI-PJYBLOJUSA-N 416.256 5.986 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nc3ccccc3n2C(F)F)N1 587719578 QTSUVYHPVZWNFD-OVWNDWIMSA-N 424.264 5.131 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNc3cc4ccccc4cc32)N1 587800082 ZVXHWNFZKKRYMG-WHEQGISXSA-N 411.318 5.335 0 1 HKAF CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCC)c1 587801539 LKVGLYKFQZFOHU-YEJXKQKISA-N 422.338 5.183 0 1 HKAF CC(C)=CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587801563 LSBFBQRYEOIFGC-SPLOXXLWSA-N 404.323 5.557 0 1 HKAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC1CC1 587807035 KSVMALGQTQSONX-QKVFXAPYSA-N 420.322 5.009 0 1 HKAF Cc1ccc([C@@]2(C3CCCCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587820701 QEEWMHXXHAOOOD-QMHKHESXSA-N 416.378 6.255 0 1 HKAF Nc1c(Br)cccc1-n1c(O)cc(-c2ccc(Cl)c(Cl)c2)c1O 587936878 YLGBSWFYQUEOCZ-UHFFFAOYSA-N 414.086 5.207 0 1 HKAF CC(C)=CCC/C(C)=C\Cc1c(O)ccc2cc(-c3cc(O)c4ccoc4c3)oc12 653846206 HOFYPCXAPHQQOM-IDUWFGFVSA-N 402.490 7.492 0 1 HKAF Clc1ccc(Oc2nc(C(Cl)(Cl)Cl)nc3ccccc23)c(Cl)c1 653866685 CZGDKVKQQYBUGU-UHFFFAOYSA-N 408.499 6.556 0 1 HKAF Cc1cccc(-n2cccc2[C@H]2c3ccsc3CCN2Cc2cccn2C)c1C 962368405 AQWQXMPQZPQORN-RUZDIDTESA-N 401.579 5.642 0 1 HKAF FC(F)(F)C[C@]1(COCc2ccccc2)NCCc2cccc(-c3ccccc3)c21 962664964 IZSSSEWHZLPWMJ-XMMPIXPASA-N 411.467 5.864 0 1 HKAF Clc1cc(Cl)cc(Oc2cccc([C@@H]3NCCc4nc5ccccn5c43)c2)c1 962983675 LYOHAOPTEPUVKC-NRFANRHFSA-N 410.304 5.669 0 1 HKAF C[C@]1(c2c(Cl)cc(C(F)(F)F)cc2Cl)c2c(F)cccc2C[C@H]2CCCN21 963098517 IFXJWMIVRVAOLX-BFUOFWGJSA-N 418.261 6.435 0 1 HKAF CC(C)(C)c1ccc(C[C@]2(C(F)(F)F)NCCc3c(Cl)cc(Cl)cc32)cc1 963119749 IAKDZPBGWLJEGX-FQEVSTJZSA-N 416.314 6.437 0 1 HKAF CCOC(=O)c1cc(-c2ccccc2)sc1NS(=O)(=O)c1ccc(Cl)cc1 1772621062 OBPPGEDHVIBWPO-UHFFFAOYSA-N 421.927 5.046 0 1 HKAF O=C(O)c1ccc(-n2cc(C(=O)c3c(Cl)cccc3Cl)c3ncccc32)cc1 1857549510 RYAGSKJCOISZSX-UHFFFAOYSA-N 411.244 5.262 0 1 HKAF O=C(Nc1ccccc1)[C@H](Sc1nc2cc(Cl)ccc2s1)c1ccccc1 1857590359 CQOBAADMKFQPSV-LJQANCHMSA-N 410.951 6.422 0 1 HKAF CN=c1[nH]c2cnc(-c3cccc(Oc4ccccc4)c3)cc2n1-c1cccc(F)c1 1857595466 OCWMLXXIMHWDFW-UHFFFAOYSA-N 410.452 5.483 0 1 HKAF COc1ccc(O[C@H]2CC[C@H](NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 1857754347 KBLOYTAOLCDZTH-CZIWCDLHSA-N 424.419 5.106 0 1 HKAF CN1CCN(c2ccc(-c3c(-c4ccc(C(F)F)cc4)cnc4[nH]ccc34)cc2)CC1 1857768292 QBMXUNLXQVIKBI-UHFFFAOYSA-N 418.491 5.586 0 1 HKAF CC1(C)CC[C@H](N2CC(=O)Nc3ccc(Br)cc3[C@H]2c2ccccc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c1c(-c2ccc(Cl)cc2)nc(N)nc1C1CCN(CCc2ccccc2)CC1 1540280 LXBQQANESCMCJU-UHFFFAOYSA-N 406.961 5.110 0 1 HKAF CCCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)N(CCCC)C(=O)C[C@@H]12 5783585 NCJPJZZOHNBOEN-ONJIFJTESA-N 411.586 5.487 0 1 HKAF CC(C)(C)OC(=O)NCCCC(=O)NC1(c2cc3ccccc3s2)CCCCC1 5950449 SHFKPQRFVUCEGI-UHFFFAOYSA-N 416.587 5.482 0 1 HKAF O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccc(Cl)c3cccc1c23 6041579 QWGZNPVSPQZVLM-UHFFFAOYSA-N 402.833 5.367 0 1 HKAF COCc1c(C)c(C)c(O)c([C@@H](CCCCCC(=O)O)c2ccc(F)cc2)c1C 13456389 IWMDJQNZUAAUBS-FQEVSTJZSA-N 402.506 5.770 0 1 HKAF FC(F)(F)c1ccc(-c2noc(-c3ccccc3)c2I)cc1 13814632 PGYNLGBPRFZKGB-UHFFFAOYSA-N 415.152 5.632 0 1 HKAF aggregator Cc1cc2c3c(c1Br)O[C@H](C)N=C3C(=O)C[C@]1(C)CC[C@H](C(C)C)[C@H]21 15267067 GZVNTXSTGFGYHN-APVNGSAXSA-N 404.348 5.414 0 1 HKAF biogenic CCN(c1nc(C)cc(-c2ccccc2)n1)c1ccc(C(C)C)cc1Br 26005269 XOGYZQFUMWAGDA-UHFFFAOYSA-N 410.359 6.496 0 1 HKAF COc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccncc3)n2)cc1 28707503 DGNJFBYVFPNFDD-FQEVSTJZSA-N 418.547 5.631 0 1 HKAF CC/C=C(\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)n1ccnc1 28764763 UZQZKENZESOLEQ-QBROUFQSSA-N 407.728 6.722 0 1 HKAF O=C(/C=C/c1ccc(F)cc1)NCCCCN1CCC(c2ccc(Cl)cc2)CC1 28957545 LKZCZYZJALIRFE-LFYBBSHMSA-N 414.952 5.268 0 1 HKAF CCCCCc1ccc(C(=O)N(C)CCCNc2ccnc3cc(Cl)ccc23)cc1 35190738 KGQGZWIXJGOZSW-UHFFFAOYSA-N 423.988 6.195 0 1 HKAF CCCCC/C=C\CC[C@H](O)CCCCCCCc1nc2cc(Cl)ccc2[nH]1 40422978 SYMSDQQDJHLEON-LHFJYWTJSA-N 405.026 7.377 0 1 HKAF O=C(NN1CCCCC1)c1ccc2c(c1)N=C(C1CCCCC1)c1ccccc1C2 40939084 PNWOBHWOLVJEMY-UHFFFAOYSA-N 401.554 5.423 0 1 HKAF Cc1cc(NC[C@H]2CCN(CC3CCCCC3)C2)nc(Nc2ccc(Cl)cc2)n1 45188045 KXVXOJOAPADAIC-LJQANCHMSA-N 413.997 5.496 0 1 HKAF CC(C)(O)CC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 95607163 NDNARKZZZMZQPV-MSLQNIFFSA-N 404.635 5.228 0 1 HKAF Cc1ccc([C@H](O)CCc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1 96258433 OWZUEHFSTPUFRE-JOCHJYFZSA-N 406.522 5.727 0 1 HKAF CCN1C(=O)[C@@H](c2ccccc2)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 96922306 SIHMSDNDQPTUKO-OAQYLSRUSA-N 424.422 5.520 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 137780692 QZEVHCZWWYKVHL-PHZDYDNGSA-N 412.702 7.801 0 1 HKAF COc1ccccc1-n1nc(C2=CC(C)(C)OC(C)(C)C2)cc1-c1ccc(Cl)cc1 145248918 WPRLJZAJPBKBLN-UHFFFAOYSA-N 422.956 6.562 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1csc(Oc2ccccc2)n1 166709794 CKSSPOFRDLEYLY-SFHVURJKSA-N 424.522 5.206 0 1 HKAF O=C(CC1CCC1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 168988818 AWTSHTNAYPKBLJ-UHGJSFDGSA-N 424.629 5.056 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@H]1c1ccc(-c2ccccc2)c(F)c1 169728398 JDBBGSVRIRQZTP-ZEQRLZLVSA-N 419.496 5.483 0 1 HKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 212811160 FQYWAQLILQWTQT-VJOKXHQLSA-N 410.642 8.666 0 1 HKAF C=C/C(C)=C/C[C@H]1C(C(=O)N[C@@H](C)c2ccccc2)=CC[C@H]2C(C)(C)CCC[C@@]21C 238746978 MSTFSWXMCDISCF-LTMVBFMHSA-N 405.626 7.165 0 1 HKAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O)/C=C/c1ccc(Cl)nc1 299858424 GOGVLQLJEWXHEX-IFQREBDFSA-N 420.037 6.273 0 1 HKAF O=[S@@](Cc1nc2cc(F)c(F)c(F)c2[nH]1)C(c1ccccc1)c1ccccc1 586961837 YIJQIWNAAUVADK-NDEPHWFRSA-N 400.425 5.019 0 1 HKAF CC(C)(C)c1cccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 587004376 UCZFYEUQBOGPDW-LBPRGKRZSA-N 413.315 5.258 0 1 HKAF FC(F)(F)c1c(Br)ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 587036688 JREQXAXGZJMMHX-NSHDSACASA-N 417.250 5.262 0 1 HKAF FC(F)(F)Oc1cccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 587062870 BXQRDZSUFSVRBG-UHFFFAOYSA-N 418.802 6.361 0 1 HKAF CNc1cc(Cl)ccc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587067039 KZUOOLAHDDDPFU-UHFFFAOYSA-N 420.616 5.586 0 1 HKAF Fc1cc2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2cc1F 587120023 NYVPNRIPMRFBPX-UHFFFAOYSA-N 415.325 5.237 0 1 HKAF CCCOc1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1Br 587149765 AYJNUPWKNDIILR-VXGBXAGGSA-N 407.258 5.664 0 1 HKAF c1ccc(COc2cccc3[nH]c(-c4ccc(CNCc5ccco5)cc4)nc23)cc1 587232161 MBMCQWGTAXSDEO-UHFFFAOYSA-N 409.489 5.692 0 1 HKAF O=C(c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1coc2ccc(Cl)cc12 587279120 WQTYZAPPGKULMS-UHFFFAOYSA-N 407.800 6.460 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]3c2ccc(F)cc2)c1 587360613 QOEZWBJWJMQUMO-HXUWFJFHSA-N 409.460 6.874 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C2CCCCC2)CCC3)c1 587365193 FPBZTYMFJGDRBK-NRFANRHFSA-N 411.545 7.657 0 1 HKAF COc1cccc(-c2cc(-c3ccc(-c4ccccc4)o3)nc3c2oc2ccccc23)c1 587367334 VOBHVIYHHRAOGD-UHFFFAOYSA-N 417.464 7.584 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC[C@H]3c2ccccc2)c1 587367879 ZKRIQVYNWUQOKP-NRFANRHFSA-N 405.497 7.125 0 1 HKAF CC[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 587383081 VFKTYYSOKYOXJB-SFHVURJKSA-N 417.349 5.886 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(F)ccc(F)c21 587472020 OURRCXCNTVSJJO-VWLOTQADSA-N 420.411 5.076 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(CN3CCC[C@H](C)C3)c1)CC2=O 587474317 DXUKJALFHRMZGA-SSOJOUAXSA-N 423.553 5.292 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CSc1nc3ccccc3[nH]1)(C1CC1)CC2=O 587494002 VODGBWJYOMVRKI-HSZRJFAPSA-N 408.523 5.127 0 1 HKAF C[C@@]1(CC(=O)Nc2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587509952 UNOFTAGSXIMXPG-QFIPXVFZSA-N 417.427 5.337 0 1 HKAF C[C@]1(Cc2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547990 VRVYSSAWFGAEIA-DENIHFKCSA-N 415.272 5.662 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3ccc(OC(F)F)cc3)[nH]c12 587624262 IASOIPOQZOAIJE-UHFFFAOYSA-N 403.734 6.143 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(Br)ccc3O)c(-c3ccccc3)c2c1 587638673 IDSLLOBIHSFBCC-HNNXBMFYSA-N 420.350 7.484 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(C(O)(C(F)(F)F)C(F)(F)F)c2c1 587639797 CUFIZVORVNEENZ-GFCCVEGCSA-N 415.377 6.661 0 1 HKAF CC[C@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)c1ccccc1 587656039 UPHYOFDNSQADGB-KRWDZBQOSA-N 404.416 5.176 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2cccc(C(F)(F)F)c2)N1 587711575 HRRKNCCJWPYKDV-VOJFVSQTSA-N 416.256 5.599 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)c(C(F)(F)F)c2)N1 587713599 STVABSKJMFXWBU-XLFHBGCDSA-N 420.219 5.544 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(Cc3ccccc3)C(C)(C)C2)N1 587762961 VWZDTFDEJDYHLG-NYHFZMIOSA-N 417.366 5.002 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2C(=O)OC(C)(C)C)N1 587795617 RQLWMUWQJQDYKM-BUXKBTBVSA-N 420.322 5.167 0 1 HKAF CCOc1cc(OCC)cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587801145 JADDBLLLDMHAQG-ASSNKEHSSA-N 422.338 5.183 0 1 HKAF COc1ccc2c(c1)CCCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587810561 SZSWJIRFPBBKGT-ASSNKEHSSA-N 404.323 5.101 0 1 HKAF COc1ccccc1C[C@@H]1CCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587811063 UUYLCXZPTHJZOI-UVQUFPMPSA-N 418.350 5.369 0 1 HKAF Cc1ccc(-c2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 587817268 BBBBHGWOLCDGEK-WNSKOXEYSA-N 410.330 6.187 0 1 HKAF Cc1cccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)c1 587830401 SWNYZIZNJAFYNZ-ASSNKEHSSA-N 400.291 5.780 0 1 HKAF Cc1ccc([C@@]2(c3ccco3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587831919 YTCHPSUVQOVSOX-NYHFZMIOSA-N 414.318 5.624 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2SC(C)(C)C)N1 587838112 BGNGOJPCYZGCGD-BLVKFPJESA-N 408.380 6.102 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)sc2Cl)N1 587844351 NDRMFZBRPNTPFC-MLXNANBUSA-N 409.151 5.754 0 1 HKAF Cc1c(Br)csc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587844542 OEHOIHWFYKQYNB-UOWDBTKRSA-N 419.157 5.344 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(CN3CCCC3)cs2)N1 587849284 SARIASQRFNMJNP-XCLFUZPHSA-N 423.395 5.043 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1cccc(Cl)c1 587861250 PAGOMUDFTWPMLO-LBPRGKRZSA-N 424.806 5.339 0 1 HKAF Cc1ccc2[nH]c(-c3ccc(-c4nc(-c5cc(F)ccc5F)cs4)cc3)nc2c1 587922123 HUYUMWCQIUKDGL-UHFFFAOYSA-N 403.457 6.607 0 1 HKAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587927074 NVBVQFWARBEKQG-LLVKDONJSA-N 414.811 5.674 0 1 HKAF Cc1ccnc2[nH]c(CCCCCCCCCCCCCCCCCC(C)C)nc12 587957560 NNVDABSDHGROKQ-UHFFFAOYSA-N 413.694 8.706 0 1 HKAF COc1cccc(CC[C@@]2(c3ccccc3OC)NCCc3cc(C)c(F)cc32)c1 962095586 VQGSULDUORBAFU-SANMLTNESA-N 405.513 5.173 0 1 HKAF COc1cccc([C@]2(c3ccccc3C(F)(F)F)NCCc3c2sc(C)c3C)n1 963032696 UYVFPPZJEPNIJV-NRFANRHFSA-N 418.484 5.225 0 1 HKAF Cc1ccnc2c1CCN[C@@]21CC(C)(C)CC2=C1[C@@H](C(C)C)Nc1ccccc1N2 963068257 KHHAKJHHVBYQEX-ZEQKJWHPSA-N 402.586 5.367 0 1 HKAF O=C(O)CCCCCC[C@@]1(c2ccccc2)NCCc2c(Cl)cc(Cl)cc21 963103932 HBBWZATYYOUHTK-QFIPXVFZSA-N 406.353 5.808 0 1 HKAF CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@]12c1cccc(Br)c1CCN2C 963289256 KTCSONFMRRUJMZ-FXCLAUTBSA-N 422.407 5.158 0 1 HKAF Cc1cccc([C@@]2(c3ccc(Br)cc3)NCCc3cccc(Cl)c32)c1 963392199 YOWVNEYZPNTWRA-JOCHJYFZSA-N 412.758 5.849 0 1 HKAF FCC[C@@H]1Cc2ccccc2C2(CCC(N3CCN(C4CCCCC4)CC3)CC2)O1 1857745058 BXYLBPZPCRRRIX-MYIFBMMKSA-N 414.609 5.076 0 1 HKAF CC(C)=CC[C@H](O)[C@H](C)CCCC(C)=CCC[C@H](C)C[C@H](O)[C@@H]1COC(C)(C)N1 2356383166 CAMGJIALDLKPHB-HTUFRPJOSA-N 409.655 5.348 0 1 HKAF CC1=C2C=C[C@]3(C)[C@H]([C@H](O)C[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@]2(C)CC1 2356558016 JPVAZROWIZUKBT-CAZNICMKSA-N 412.658 6.280 0 1 HKAF CC(C)=CCN1c2cc(Br)ccc2[C@]2(CC=C(C)C)CN(C)O[C@@]12C 2356580821 AYBQLLURTWTJFL-RTWAWAEBSA-N 405.380 5.423 0 1 HKAF C[C@@H]1[C@H]2[C@](C)(CC[C@H]1C)CC[C@]1(C)C3=CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC[C@]21C 2356872302 YRHDJXSJOFXQTP-UXMPAELMSA-N 410.730 9.054 0 1 HKAF Cc1ccc(C2CCC3(CCC(=O)N3CCOC(=O)Nc3ccc(F)cc3)CC2)cc1 96019311 YBCCGFYNVRWMDX-UHFFFAOYSA-N 424.516 5.402 0 3 HKAF COc1ccc(-c2noc(-c3ccc(F)cc3Cl)c2C(=O)NCCC(C)C)cc1 774473 IOROOTOREWIYBP-UHFFFAOYSA-N 416.880 5.586 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 4175332 YIKKMWSQVKJCOP-PQVNVXNSSA-N 400.647 6.568 0 1 HKAF COc1ccc2c(c1)CC[C@H](Cc1cc(C(F)(F)F)ccc1C(F)(F)F)C2=O 13675265 NATHUNAFCLWXGA-GFCCVEGCSA-N 402.334 5.721 0 1 HKAF CC[C@H](C)CCCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O 14591986 LLEYTKLOPIVSOG-KVAUNUSGSA-N 406.695 9.251 0 1 HKAF CC(C)ONC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NOC(C)C)cc3)o2)cc1 28390181 TXVIUWQCYXXZJF-UHFFFAOYSA-N 420.513 5.124 0 1 HKAF COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)Cc2ccc(Cl)cc2)cc1 28570081 DGSHQCJWXTVVLT-HXUWFJFHSA-N 410.926 5.331 0 1 HKAF Cc1cc[n+](CCCCCc2cccc(CCCCC[n+]3ccc(C)cc3)c2)cc1 28861783 CYKVFCWWPUOCQY-UHFFFAOYSA-N 402.626 5.704 0 1 HKAF CC(C)NC(=N)c1cccc2oc(Cc3cc4c(C(=N)NC(C)C)cccc4o3)cc12 28870049 QITLOCKRSWZKGG-UHFFFAOYSA-N 416.525 5.417 0 1 HKAF CC/C(=C(\c1ccccc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1 29416191 DHZKPKKKRLHMCS-ZIADKAODSA-N 411.589 6.920 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cn1)c1ccc(-c2ncccc2C(F)(F)F)cc1 38149543 DXCOVFPYYIJJIN-UHFFFAOYSA-N 411.305 5.434 0 1 HKAF CC1(C)COP(=O)(C(c2ccc(Cl)cc2)P2(=O)OCC(C)(C)CO2)OC1 40392586 XUAKQDZSKIWEKJ-UHFFFAOYSA-N 422.782 5.871 0 1 HKAF Cc1ccc([C@@](O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)cc1 49115645 LKQFRCCEWHAKLX-OAQYLSRUSA-N 400.375 5.271 0 1 HKAF CN1C(=O)[C@H](Cc2ccccc2)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 66259686 XLUSYSDPFSHJGS-IBGZPJMESA-N 424.422 5.205 0 1 HKAF COC(=O)C(C)(C)[C@H](c1ccc(Nc2nc3ccccc3s2)cc1)n1ccnc1 71329119 UZFHIXZFZUDBGR-IBGZPJMESA-N 406.511 5.025 0 1 HKAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@@](C)(O)c1nccs1 72113154 SNAYUEVITPFENZ-KSCDMFPQSA-N 403.632 5.370 0 1 HKAF CC1=CC[C@H](C)O[C@]2(C1)C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 72121488 DIMLQSPLVRAKGM-AOMKIAJQSA-N 412.327 5.336 0 1 HKAF COc1cc(O)c(-c2c(C)cc(O)c3c(OC)c(O)ccc23)c2cc(C)cc(O)c12 85996280 AKPQZUDAFNJCQT-UHFFFAOYSA-N 406.434 5.116 0 1 HKAF COc1ccc([C@@H]2C(c3cc(OC)cc(OC)c3)=Cc3cc(OC)cc(OC)c32)cc1 95588865 MLKFXRVJCOPZRD-RUZDIDTESA-N 418.489 5.416 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H](O)[C@@H](NCc3cccc(Cl)c3)CC[C@]12C 95590889 XLTRIZPFRLTWED-DQTYAKANSA-N 420.081 6.838 0 1 HKAF CCN(CC)C(=O)[C@@H]1Sc2ccccc2-c2c1c1cc(Cl)ccc1n2CCF 96909218 QOWZZQODNBDIID-OAQYLSRUSA-N 416.949 5.946 0 1 HKAF COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3C(Cl)=NC=N[C@@H]32)cc1 98084633 ZCMRDWHYJKVANH-WIOPSUGQSA-N 413.908 5.705 0 1 HKAF COc1ccc(/C=C2\C(=O)N(C)c3ccc(Cl)cc32)cc1O[C@H]1C[C@@H]2CC[C@@H]1C2 100812394 FFFLXXMNEHFKKE-FTTWTMDRSA-N 409.913 5.433 0 1 HKAF O=C(O)CCC/C=C\C[C@H]1[C@H]2C=C[C@@H](C2)[C@@H]1/C=C/[C@@H](O)CCc1ccc(Cl)cc1 100930919 OWLWEPFVFFUXLA-HXLXSLBVSA-N 414.973 5.829 0 1 HKAF Cc1ccc2cc([C@H]3CC(c4ccc(Br)s4)=NN3)c(Cl)nc2c1 103174947 VSMLMRMJLPHJQI-CYBMUJFWSA-N 406.736 5.459 0 1 HKAF C[C@@H]1CC[C@@H](NS(=O)(=O)c2cccs2)CCCCCCCCCCC(=O)O1 103219622 CPZMETPVPARJGO-MSOLQXFVSA-N 415.621 5.022 0 1 HKAF CSc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3cc4c(cc32)OCCO4)cc1 103889996 RHNAVSMRZKULJU-JOCHJYFZSA-N 407.535 6.030 0 1 HKAF COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2c[nH]c3ccccc23)C[C@@H]1C 104098574 JOYFTIBCCGDFHM-VYALMSHHSA-N 401.466 5.048 0 1 HKAF C1=C(c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CCOC1 143677934 LZLSZEAQNVPNPM-UHFFFAOYSA-N 401.491 6.031 0 1 HKAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2ccccn2)c1F 167857879 SAVJPPGWHMJGIZ-OXJNMPFZSA-N 420.484 5.015 0 1 HKAF Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc(Cl)c(C)c2)n1 205838030 KIIISZQMKIVXPA-MRXNPFEDSA-N 417.944 5.987 0 1 HKAF C[C@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 253986428 GMBQZIIUCVWOCD-XWJFCMDUSA-N 416.646 5.794 0 1 HKAF CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4[C@H](CC[C@H]5C(C)(C)C(=O)CC[C@]45C)[C@@]3(C)CC[C@]12C 255197256 AVHGSHJBWASVAK-YHVVVBKMSA-N 424.713 8.233 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 257378777 AOQRDALGACAKHI-CWPCPFELSA-N 414.718 7.881 0 1 HKAF endogenous,in-man CCCCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 261153875 PMXOLMUJYKILQT-AQYVVDRMSA-N 410.602 5.868 0 1 HKAF Clc1ccc(-c2ccc(-c3nccn3-c3ccc([C@@H]4CNCCO4)cc3)o2)cc1 299834876 VOXIZJRMQQYLLS-QFIPXVFZSA-N 405.885 5.114 0 1 HKAF COc1cc(CCNCc2cccc3ccsc23)c(OC)cc1Br 473107479 JGEBLVWABHNDMY-UHFFFAOYSA-N 406.345 5.013 0 1 HKAF CC1=N[C@H](CC(C)C)C(=O)N(Cc2ccc(C(C)(C)C)cc2)c2cc(C(=O)O)ccc21 473153074 YFXPMLRLDOWIQD-JOCHJYFZSA-N 420.553 5.453 0 1 HKAF CC[C@H](/C=C/[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 525915170 HCXVJBMSMIARIN-GSDVOEEMSA-N 412.702 7.801 0 1 HKAF biogenic CCCCC1CCC(c2nc3cc(C(=O)OCC)cc(Br)c3[nH]2)CC1 586893882 ZEWBGVYHQHPJLU-UHFFFAOYSA-N 407.352 5.966 0 1 HKAF COC(=O)c1cc(Br)c2[nH]c([C@H](C)SCc3ccccc3)nc2c1 586963111 KKWBTEMYXIJGNA-NSHDSACASA-N 405.317 5.106 0 1 HKAF c1ccc(C(SCCc2nc3cnccc3[nH]2)(c2ccccc2)c2ccccc2)cc1 586969985 DPWYBTPMRDTPCX-UHFFFAOYSA-N 421.569 6.226 0 1 HKAF CC(C)(C)OC(=O)N[C@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586986894 GSKPUTVNVOLWRZ-KRWDZBQOSA-N 416.477 5.054 0 1 HKAF CCc1ccc(-c2nc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)cs2)cc1 587015504 FXCOLYLCMIBNLM-UHFFFAOYSA-N 407.848 6.588 0 1 HKAF Clc1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 587016810 DZPIUMNMKRRIJM-UHFFFAOYSA-N 410.749 5.755 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@H]4SCCc5sccc54)[nH]c3c2)cc1 587036840 NWLRNSIQXSORCA-FQEVSTJZSA-N 422.531 5.582 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Cl)c(F)cc2[nH]1 587068699 BSEMJFIKPUVNRR-DPECCEGWSA-N 409.719 7.028 0 1 HKAF N[C@H](N=O)c1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587068842 ALVJGYLIPLJOQD-ZWPAVUJESA-N 418.884 5.689 0 1 HKAF Clc1nc(-c2nc3c(Cl)ncc(Br)c3[nH]2)ccc1-c1ccccc1 587083573 AWYIFBZXVZWYRS-UHFFFAOYSA-N 420.097 5.756 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(Cl)ncc2[nH]1 587087378 PNTXQOKPJOKASJ-VOTSOKGWSA-N 418.715 5.642 0 1 HKAF Cc1ccc2c3c(cc([C@@H](C)c4nc5ccccc5s4)nc13)-c1ccccc1C2=O 587101627 IUXCDZUIDQBXRU-OAHLLOKOSA-N 406.510 6.516 0 1 HKAF CCCc1c(-c2ccc(Cl)c(Cl)c2)nc2cccc3c2c1-c1ccccc1C3=O 587103407 HISVIZLBUYKTGF-UHFFFAOYSA-N 418.323 7.373 0 1 HKAF O=C(O)c1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587112540 VSEDLUXGIUXVIA-UHFFFAOYSA-N 402.294 5.084 0 1 HKAF Fc1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 587153498 SPAHGWJMUVLOHT-UHFFFAOYSA-N 419.460 5.381 0 1 HKAF CC[C@@H](Oc1ccccc1F)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587156566 WFBKITMQGBCSIE-CYBMUJFWSA-N 417.200 6.013 0 1 HKAF Clc1cc(Br)cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 587232336 PUAGLIMQNAOYCW-UHFFFAOYSA-N 416.706 5.529 0 1 HKAF Cc1c(Cl)ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c12 587239703 NRJFDQFDIWSTGJ-OIAISFKWSA-N 419.953 5.080 0 1 HKAF Cc1cc(Br)cc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c12 587242083 OVGWMESKWFFWRM-UHFFFAOYSA-N 400.320 5.676 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCc3cc4ccccc4cc32)[C@H]1c1ccc(F)cc1 587350508 HWXOXERXUGIKTO-BDYUSTAISA-N 410.444 5.885 0 1 HKAF COc1cccc(-c2cc(/C=C/c3ccc(O)c(OC)c3)nc3c2oc2ccccc23)c1 587363272 PFVWZHWAIZHEAN-ZRDIBKRKSA-N 423.468 6.541 0 1 HKAF CC[C@H](OC)c1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 587363683 SJDXPYQFOJWBSW-VWLOTQADSA-N 423.512 7.421 0 1 HKAF O=C1C[C@@H](c2cc3cc(C(F)(F)F)ccc3s2)Oc2c1ccc1c2CCCC1 587509984 VDPXQEDXRAJDNN-SFHVURJKSA-N 402.437 6.505 0 1 HKAF CCOC(=O)[C@H](CC(C)C)n1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512206 LZBLTPJLPMRIOP-GMAHTHKFSA-N 409.526 5.224 0 1 HKAF CC[C@H](C)c1ccc(NC(=O)C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587514920 XQSFHBUTYJDHFF-QLXKLKPCSA-N 405.538 5.832 0 1 HKAF O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)Oc2c1ccc1c2CCCC1 587516727 VCYIVTHYVLMSPW-VWLOTQADSA-N 408.501 5.670 0 1 HKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccccc1N[C@@H]2c1ccccc1 587523118 GYRZYFIACQRUFB-XNMGPUDCSA-N 409.485 5.319 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(OC2CCC2)c1 587555550 GWCIRRTZFFWJIL-URXFXBBRSA-N 406.409 5.166 0 1 HKAF Cc1sc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br 587612567 JTQXPSHGNOODMS-VQIMIIECSA-N 417.280 5.228 0 1 HKAF FC(F)(F)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1Cl 587621410 DXDLTYAVUOEMGQ-UHFFFAOYSA-N 414.612 6.146 0 1 HKAF COP(=O)(Cc1[nH]c2cccc(F)c2c1Oc1cccc(C(F)(F)F)c1)OC 587633601 HJZINJJVLMGMST-UHFFFAOYSA-N 417.295 6.104 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc(Cl)ccc3n2C)N1 587695775 JNRUTRANWIKDDY-DGIBIBHMSA-N 407.714 5.357 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ccc(Cl)c2Cl)N1 587696009 OULSMPRASWSLNF-VGDKGRGNSA-N 423.540 6.172 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)c(F)cc2Cl)N1 587722293 XXQFUTOMDXJFNS-QPFGOUBPSA-N 404.657 5.318 0 1 HKAF CC(C)Cn1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 587759381 SVTXOVQNSBVISW-XCLFUZPHSA-N 416.338 5.218 0 1 HKAF Cc1cc(C)n(-c2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)n1 587762510 FQLPPSIDNGQDSZ-LAJNKCICSA-N 414.322 5.014 0 1 HKAF CCCOc1c(OCC)cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587798844 ZRJHUQMVLIEZOM-RBZFPXEDSA-N 422.338 5.399 0 1 HKAF CCOc1ccc2ccccc2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587800938 HZWVCHUEAAFGDJ-XMHCIUCPSA-N 414.318 5.764 0 1 HKAF CCCc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC 587802438 RYSWJSXENRVFFV-LRTDBIEQSA-N 406.339 5.563 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C=O)cc2)(C2CCCC2)N1 587820398 PEYAFYFWVUVUMV-JLCFBVMHSA-N 416.334 5.369 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccccc3)o2)N1 587831697 YATRLSPRGVQEFR-MPBGBICISA-N 402.263 5.597 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cs2)N1 587848106 ZPLXHASRBAPLEP-GLEZIHRCSA-N 419.157 5.210 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC/C2=C/c2cccs2)N1 587849983 CLWZIZRYQPIUQS-WDPCPFBUSA-N 406.364 6.037 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2C(c2ccsc2)(c2ccsc2)N1 587855356 VDCIHIXDCNTGIB-NSHDSACASA-N 408.361 5.537 0 1 HKAF CCOc1cccc(C(=O)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)c1 587858699 MWASPCDJRVRBQT-UHFFFAOYSA-N 405.281 5.343 0 1 HKAF Cc1ccoc1C(=O)Nc1ccc(N2Cc3cccc(Cl)c3C2=O)c(Cl)c1 653733758 KAVRSDURXBJOEE-UHFFFAOYSA-N 401.249 5.308 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(c1ccccc1F)C1CC1 961777885 OSVQRKMMKCRGNC-AREMUKBSSA-N 422.544 5.631 0 1 HKAF CC1(C)COC2(C[C@@H]3C[C@@]4(C[C@@H]3C2)NCCc2cc(-c3ccccc3)ccc24)OC1 962669892 SWJNIVGSVDZXRS-MWZSMPGESA-N 403.566 5.284 0 1 HKAF Cc1ccc(C)c([C@]2(C[C@H](C)CC(=O)O)c3ccsc3CCN2Cc2ccco2)c1 962709077 QWWYUZAQVDACJP-CJAUYULYSA-N 423.578 5.761 0 1 HKAF Cc1ccc([C@]2(C3CCCC3)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)o1 962959299 QZWGCQADTDPDAR-HSZRJFAPSA-N 419.487 5.692 0 1 HKAF CC(C)(C)OC(=O)NCC1CCC([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)CC1 963105035 IRSURYRKAOELSE-MPPJEYDWSA-N 402.554 5.218 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1cn(-c2ccc(Cl)c(Cl)c2)nn1 963235050 FNKOIGVFNRWBIX-IVZQSRNASA-N 415.368 5.494 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@H]2[C@H]1CCCN(c2ccc(C(F)(F)F)cc2)C1 963269903 MIYGIVFYXLPCGG-LHSJRXKWSA-N 424.894 5.471 0 1 HKAF Cc1c(-c2ccc(N3CCC(C(F)(F)F)CC3)cc2)[nH]c2cc(F)cc(F)c2c1=O 1772621896 DJKMETOFGREUAT-UHFFFAOYSA-N 422.397 5.560 0 1 HKAF CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1 1857597785 XEOVTSUIGVNBIR-UODBTFMRSA-N 424.560 6.398 0 1 HKAF Clc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CCN2CCOCC2)cc1 1857764771 XGMQSWJEIOGHJQ-UHFFFAOYSA-N 417.940 5.196 0 1 HKAF O[C@@H](CNCc1ccc(-c2ccccc2)cc1)COc1cccc2[nH]c3ccccc3c12 1911578549 MZJRCUVNSQPNBZ-QHCPKHFHSA-N 422.528 5.518 0 1 HKAF C[C@@H]1[C@]2(CC[C@@H](C)CO2)O[C@@H]2C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@@H]3[C@@]12C 2356330486 KRAHTSBHXANSDF-HYTUHBPZSA-N 400.647 6.823 0 1 HKAF CCC[C@@H]1C[C@H](CCc2ccc(O)c(OC)c2)O[C@@H](C=C(C)CCC=C(C)C)O1 2356352558 WJMAMCWCNHAOTC-SLSDLSHTSA-N 402.575 6.326 0 1 HKAF CC(C)[C@]1(C)C[C@@H]1C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356408472 GYEFHOQTNWOKKR-AVBQZZBJSA-N 412.702 7.635 0 1 HKAF CC=C(C)[C@@H](O)[C@@H](C)C=C(C)CC=CC(C)=CCc1nc(OC)c(OC)c(O)c1C 2356428144 ZQLBCAUKNYXILZ-SIKLNZKXSA-N 415.574 5.457 0 1 HKAF CC(C)=CCCC(C)=C[C@@H](O)CC(C)=CCC[C@@]1(C)C=Cc2cc(O)cc(C)c2O1 2356679516 BDPWTJZRRJMGSJ-SQHAQQRYSA-N 410.598 7.035 0 1 HKAF CC(=CCN1[CH]N(C)c2ncnc(N)c21)CC[C@]1(C)[C@H](C)CC[C@]2(C)[C@H](C)C=CC[C@@H]21 2356835780 AVKUYBSJNRGSEL-HHQNKLDDSA-N 422.641 5.815 0 1 HKAF O=C1c2ccccc2N[C@@]1(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 1616566 FGKFEGYYEYHMQQ-NDEPHWFRSA-N 400.481 6.387 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 5922931 BVVFRHKBULZQCQ-ASZVKTMPSA-N 414.718 8.313 0 1 HKAF COc1cc(OC)c2c(c1)[C@@H](CCCCCC[C@H]1CC[C@@]3(CC[C@@H](C)O3)O1)OC2=O 13367432 MDVWGBKYBVEXHU-JJLPPOTMSA-N 418.530 5.330 0 1 HKAF CCCCCC(C)(C)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO 13766078 ZYEZKKALDOOLCG-SHSGONJBSA-N 403.651 6.657 0 1 HKAF COc1cc(O)c2c(c1-c1ccc(O)c3c(OC)cc(C)cc13)C[C@H](C)N(C)[C@H]2C 14421099 ANPZWXGVVSLGLN-GJZGRUSLSA-N 407.510 5.181 0 1 HKAF biogenic COc1ccc2c(c1)c(/C=C/CCCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1 26163305 SPZDUWPQLLJYNY-GQCTYLIASA-N 411.885 5.568 0 1 HKAF CCCNC(=O)c1cc(/C=C/CCc2ccccc2)ccc1-c1ccc(Cl)cc1 26966703 FCUUFKLQHMIIKM-YRNVUSSQSA-N 403.953 6.793 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCN(CC)CC 27730881 LOZCJJDEBAPQGP-AILJCPQKSA-N 402.667 6.590 0 1 HKAF CCCCCCc1c(OCc2ccc(C(=O)O)cc2OC)ccc(C(C)=O)c1O 27881085 OLDQRZYFIGCARM-UHFFFAOYSA-N 400.471 5.003 0 1 HKAF Cc1ccc(O[C@H](CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1 28892876 CRUWXQPBIKVAJO-AREMUKBSSA-N 410.602 5.322 0 1 HKAF CCCCC1=NCC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1 29389502 CRBWYWQPJSJHQB-UHFFFAOYSA-N 418.537 5.543 0 1 HKAF O=C(CCCCCCCCCCC1CCCCCC1)OCC(=O)c1ccccc1 38989171 XTDPDKYJTZDVGU-UHFFFAOYSA-N 400.603 7.284 0 1 HKAF biogenic CC(C)c1cc[n+](CCCCCCCCCCCC[n+]2ccc(C(C)C)cc2)cc1 45350373 NMWNDFRVBZEILR-UHFFFAOYSA-N 410.690 7.110 0 1 HKAF CC(C)c1ccc(-c2nc(=O)n(C(C)C)c3ccc(NCc4ccccc4)cc23)cc1 45389831 GPVDDWUSJONEJY-UHFFFAOYSA-N 411.549 6.380 0 1 HKAF CCCCc1ccc(C(SC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc2)cc1 66113520 TZVDFKIMDUNFSZ-DEOSSOPVSA-N 419.590 5.466 0 1 HKAF CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)cc1-c1ccc(Cl)cc1 66260000 KYZRQIMYISZQGM-UHFFFAOYSA-N 400.950 5.421 0 1 HKAF Cc1noc([C@H]2[C@@H](c3ccc(Cl)cc3)C[C@@H]3CC[C@@H]2N3C)c1-c1ccc(F)cc1 101165813 LVGMRPXHULTKRI-KGSLCBSSSA-N 410.920 6.176 0 1 HKAF CC1(C)[C@@H]2C[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2/C=C/[C@@H](O)COc1ccc(F)cc1 101500855 FBOACMAKXADYFB-HHMBTDNQSA-N 416.533 5.231 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](C)C[C@@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 253641130 PVJNSDNELNARLT-JKRXRTCLSA-N 413.690 6.950 0 1 HKAF C[C@@H]1C[C@H]1c1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)n(Cc2ccccc2)n1 299828643 SDGQPBBLLYNKGX-RDTXWAMCSA-N 414.431 5.718 0 1 HKAF O=C(Nc1cccc(Oc2cncc(Cl)n2)c1)Nc1cccc(C(F)(F)F)c1 473086392 HPNYZOVAOYVLQD-UHFFFAOYSA-N 408.767 5.585 0 1 HKAF CCCc1c(C(=O)O)[nH]c(C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989801 QVRXWPRILRHQIY-UHFFFAOYSA-N 412.445 5.106 0 1 HKAF Cc1cc(Cl)c2c(c1)-c1nc3c(C)ccc4c3c(c1CCO2)-c1ccccc1C4=O 586993733 QGFZPWZXKPMSJJ-UHFFFAOYSA-N 411.888 6.318 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(OC(C)C)c(Cl)c4)nc13)-c1ccccc1C2=O 586994244 WHTDQNCYKOVTIA-UHFFFAOYSA-N 413.904 6.862 0 1 HKAF COC(=O)c1cccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c12 587082976 XRLBPZZZWWJYGB-UHFFFAOYSA-N 413.864 5.885 0 1 HKAF FC(F)(F)c1c(Br)ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c12 587087049 HFIFLCGSCNVVBH-UHFFFAOYSA-N 414.612 6.146 0 1 HKAF COC(=O)c1cccc2nc(-c3ccc(-c4cc(OC)ccc4Cl)c(F)c3)[nH]c12 587142996 JMHHWUUJABOZCL-UHFFFAOYSA-N 410.832 5.485 0 1 HKAF Fc1cc(Br)ccc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587143154 YOHZFNRRHVZVSZ-UHFFFAOYSA-N 424.298 6.408 0 1 HKAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587163573 MOSMRKKLRIWMCC-HNNXBMFYSA-N 416.216 5.134 0 1 HKAF Ic1cncc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 587184350 IOHWUAXHBISKCJ-UHFFFAOYSA-N 413.218 5.022 0 1 HKAF Cc1ccc(NC2(c3nc4cc(Cl)cc(Br)c4[nH]3)CCCC2)cc1 587236707 FXXRZQBAHZAICM-UHFFFAOYSA-N 404.739 6.169 0 1 HKAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(Cl)cc(C)c3[nH]2)c(O)c1 587241374 ZYTXEUGVYSIMFE-UHFFFAOYSA-N 405.885 5.387 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 587330080 MZTKAYGKYLIFFD-PFATUAPWSA-N 422.883 6.250 0 1 HKAF CC[C@@]1(c2cc(F)c(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334757 PZRBVHPAAMKCRZ-GGAORHGYSA-N 416.370 5.613 0 1 HKAF Cc1ccc([C@@]2(C3CCCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 587356261 ORGNKWLVNRODMA-ILBGXUMGSA-N 406.453 5.877 0 1 HKAF CC(C)(C)[C@]1(c2ccsc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587371789 DEUFABKYHXBKES-WMZHIEFXSA-N 411.498 5.476 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Oc3ccc(C(C)(C)C)cc3)c1)O2 587402866 IQLGTOVZMSFFMA-XMMPIXPASA-N 401.506 6.374 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Cl)cc1Br)CC2=O 587455323 ABGRZPSRFPHMTB-LJQANCHMSA-N 409.707 5.641 0 1 HKAF CC1=COc2c(Cl)cc(Cl)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587498683 JRCBJCIKQJVCAO-JOCHJYFZSA-N 401.289 6.029 0 1 HKAF CCOC(=O)CCCOc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521668 ITYLFPLLCFIMQL-SANMLTNESA-N 422.521 5.168 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1OCC1CC1 587548555 PVKAKYCQOVCIFT-XUZZJYLKSA-N 422.864 5.537 0 1 HKAF Cc1ccccc1-c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 587615068 VJSSSGFDRBDQKE-NFBKMPQASA-N 415.470 5.527 0 1 HKAF Cc1ccc([C@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3c(C(=O)O)cccc23)cc1 587637543 CHYAYKYJGMAZIF-IBGZPJMESA-N 419.864 5.711 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cccnc2Cl)N1 587702503 DNBVKBHXBDEUQX-ADLMAVQZSA-N 420.713 5.051 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)cnc2Cl)N1 587715032 QXRCTQPYXSGNLW-WJWGPLDTSA-N 423.635 5.279 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(F)cc3)o2)N1 587733753 LUOZXJTWVDCHPF-BIBXISHDSA-N 404.254 5.611 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccnc1 587748968 CHGYPYUJNRNXFQ-GTJPDFRWSA-N 414.322 5.014 0 1 HKAF CCn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(OC)ccc21 587760069 WXIGCDGOWFGVBI-XUSGNXJCSA-N 417.322 5.195 0 1 HKAF Cc1ccc([C@@]2(c3cccnc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587771293 BUTSZSKPJYVHKO-NYHFZMIOSA-N 411.318 5.118 0 1 HKAF CC[C@H](C)c1ccc(OC)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587808805 QSZHRFVVHKFMSX-OYMPBJRDSA-N 406.339 5.734 0 1 HKAF Cc1ccc(-c2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 587814807 IZLGFKLMMKPMOS-GYCJOSAFSA-N 424.357 6.361 0 1 HKAF Cc1cccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)c1 587830404 SWNYZIZNJAFYNZ-YEJXKQKISA-N 400.291 5.780 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3oc4ccccc4c3c2)N1 587833771 OWJVPRQYHXKBKW-AMXDTQDGSA-N 410.286 6.111 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3sc(C=O)cc3s2)N1 587855922 HJRQGIQFYDKMTJ-CQLKUDPESA-N 410.333 5.301 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2c(Cl)ccnc2[nH]1 587948834 JXTPHWZJCDWIGN-ZRGWGRIASA-N 411.933 5.896 0 1 HKAF COc1cc(CO)ccc1-c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1 653707444 UFAGMYBEPBELPD-UHFFFAOYSA-N 415.877 5.395 0 1 HKAF Cn1cccc1CN1CCc2sccc2C12C[C@@H]1CC[C@@H](C2)N1Cc1ccccc1 962370498 FOFQNJGRNPPIMG-VXKWHMMOSA-N 417.622 5.167 0 1 HKAF Oc1ccc2c(c1)[C@@]1(C[C@H](c3ccccc3)O2)NCCc2cccc(-c3ccccc3)c21 962672263 XXWRKPUPPWEACU-XRKRLSELSA-N 419.524 5.972 0 1 HKAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](c2ccc(Cl)cc2Cl)(C2CCCC2)N1 962893000 FXJVRJGYRROQRN-FPOVZHCZSA-N 408.300 5.165 0 1 HKAF Clc1ccc([C@@]2(C3CCOCC3)c3ccsc3CCN2Cc2cccnc2)cc1 963002546 BZEGIUHNIPHDCD-XMMPIXPASA-N 424.997 5.525 0 1 HKAF COc1ccc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN32)cc1COCC(F)(F)F 963115459 WYGNIWMDXZQBHP-WIYYLYMNSA-N 409.423 5.023 0 1 HKAF Cc1cc(-c2nc(-c3ccc(C(F)F)c(Cl)c3)n3c2CCOCC3)cc(C)n1 1772573007 CJUDLNPALVYFAQ-UHFFFAOYSA-N 403.860 5.393 0 1 HKAF FC(F)(F)c1cccc(NCc2ccc(CNc3cccc(C(F)(F)F)c3)o2)c1 1857542969 DKCJRXSPRZZIAP-UHFFFAOYSA-N 414.349 6.541 0 1 HKAF COC(=O)c1cc(-c2oc3c(Cl)cc(Cl)cc3c2C)n(-c2ccccc2)n1 1857561195 GIVHPVMBQXXRNT-UHFFFAOYSA-N 401.249 5.687 0 1 HKAF CCN(CC)c1cc(C)c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2n1 1857635009 MFRUZRLAOQJNAS-UHFFFAOYSA-N 402.325 5.949 0 1 HKAF COC(=O)c1sc(-c2ccc(F)cc2)cc1Nc1cc(OC)c(OC)c(OC)c1 1857764447 ZNQWSXNVVYKVEN-UHFFFAOYSA-N 417.458 5.110 0 1 HKAF CCCC[C@@H](O)[C@H](O)C=CC(=CCCCCCCCC(=O)O)Cc1cccc(O)c1 2356370494 ATAJQQPGGBYETR-DNQXCXABSA-N 418.574 5.145 0 1 HKAF CC(C)[C@@H](C)C=C[C@@H](CO)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356456858 SMZGUWPPJLUJON-HIBBJIFTSA-N 416.690 6.463 0 1 HKAF CC=C(C)C(=O)OC[C@@H]1[C@H](O)CC[C@@H]2[C@](C)(CCc3ccoc3)C(C)=CC[C@@]21C 2356501511 CPPNOLWNGNZSPV-GGAKRVASSA-N 400.559 5.471 0 1 HKAF CC(C)CC[C@@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356528966 NYZFLRDFXVCLQW-NJDHJMEESA-N 416.646 5.827 0 1 HKAF O=C(NCCOc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1ccoc1 2481438 VPECFAGQPDAKRB-UHFFFAOYSA-N 408.841 5.064 0 1 HKAF Cc1ccc(-c2nc(Cn3c(=O)cc(-c4ccccc4)c4c(C)nn(C)c43)c(C)o2)cc1 8605705 JGOKJAAQSDJNQY-UHFFFAOYSA-N 424.504 5.031 0 1 HKAF O=C(O)c1ccccc1-c1ccc(CN2C(=O)C3(CCCC3)N=C2C2CCCC2)cc1 13833588 VAJMYAASYVMFBN-UHFFFAOYSA-N 416.521 5.296 0 1 HKAF COc1ccc([C@@H]2[C@@H](CCC(=O)c3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 28095564 UIFUBTVKGXCAPF-ILBGXUMGSA-N 415.489 5.071 0 1 HKAF N=C(N)c1ccc2cc([C@@H]3C[C@@H]3c3ccc4c(c3)C(c3ccccc3)=NCC4)ccc2c1 28366410 ALVYBVAQSFMTGH-IZZNHLLZSA-N 415.540 5.788 0 1 HKAF O=C(Cn1c(CC(F)(F)F)nc2cc(Cl)c(Cl)cc21)c1ccc(F)cc1 28817737 JEYDBQIOTMBRGM-UHFFFAOYSA-N 405.178 5.470 0 1 HKAF CCCCn1c(C)cc2c(c1=O)[C@H]1O[C@](CCCC)(Cc3c1ccc1ccccc31)O2 36379249 VCFVXOSZZPJEOO-AHKZPQOWSA-N 417.549 6.051 0 1 HKAF CCC(CC)c1ccc(Cl)c2nc(Oc3c(C)cc(Cl)cc3Cl)n(C)c12 36518842 PGJZMNXFKLCOSC-UHFFFAOYSA-N 411.760 7.538 0 1 HKAF FC(F)(F)c1ccccc1CNc1cc(Oc2ccc(-c3ccccc3)cc2)ncn1 38468303 ZSEGABZWQBYMOO-UHFFFAOYSA-N 421.422 6.567 0 1 HKAF Cc1cccc(Cl)c1Nc1nc2ccccc2n2c(CCc3ccccc3)cnc12 40835816 BLZQGPKENKPXOR-UHFFFAOYSA-N 412.924 6.373 0 1 HKAF O=C(c1ccc2c(c1)OCO2)[C@H]1c2ccccc2-c2ccccc2N1C(=O)c1ccco1 40974818 HLHKJMKJKCJINP-XMMPIXPASA-N 423.424 5.260 0 1 HKAF Cc1cccc2[nH]c(-c3cccc(-c4cccc(CN5CCC(CO)CC5)c4)c3)nc12 45301441 NFIICEFHPCVQKB-UHFFFAOYSA-N 411.549 5.410 0 1 HKAF CC(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O 59789229 FGKQZAUZOBFLBY-SYDAVTRCSA-N 418.662 5.618 0 1 HKAF in-vitro O=C(c1ccc(NCCn2cnc3ccccc32)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1 64559686 AMDOXDXBHYTPFX-VXKWHMMOSA-N 415.924 5.788 0 1 HKAF COc1cc(C(=O)c2sc3ccccc3c2-c2ccc(C)cc2)cc(OC)c1OC 66259749 FCZLREDNEFOHAQ-UHFFFAOYSA-N 418.514 6.134 0 1 HKAF O=C(c1ccccc1-c1ccccc1)N1CCCC[C@H]1CCOc1ccc(F)cc1 72119906 PZTKKGBQVCJMCG-QFIPXVFZSA-N 403.497 5.957 0 1 HKAF O=c1[nH]c(-c2cccc(Cl)c2Cl)nc2c1oc1ccc(Br)cc12 84668520 URLSXEUWUQRQEM-UHFFFAOYSA-N 410.054 5.406 0 1 HKAF Cc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@@H]32)cc1 95561061 OHYAUCCFBSIOPM-IUAQSZDVSA-N 417.577 7.725 0 1 HKAF O=C(O)c1cc(-c2ccc(Oc3ccccc3)cc2)nc2ccc(Br)cc12 96923849 WESGYEMSHMYNGH-UHFFFAOYSA-N 420.262 6.155 0 1 HKAF CCCN1C=CCC(C(=O)O[C@H]2CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)=C1 101310973 BWYNITCXVYWPIF-RYIFMDQWSA-N 421.581 5.673 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2cccnc2)C[C@H](c2ccc(Cl)cc2)C1 104695082 RAZVJQYKUPXGSK-BXKMTCNYSA-N 401.897 6.364 0 1 HKAF COc1ccc([C@H]2N(c3ccnc(N[C@H](C)c4ccccc4)n3)C(=O)OC2(C)C)cc1 142121111 LVPITHJLZOMCTJ-IIBYNOLFSA-N 418.497 5.135 0 1 HKAF O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1Oc1ccc(Cl)cc1 143205364 IVXWSJDIJWTMBP-UHFFFAOYSA-N 408.763 5.092 0 1 HKAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccc(SC)cc2)s1 169372058 DKEAXYAQHUXDHX-GENWWVBSSA-N 411.592 5.176 0 1 HKAF CC1=CC[C@H]2[C@](C)(C(=O)O)C[C@H](OC(=O)C(C)C)C[C@]2(C)[C@H]1CCc1ccoc1 238742574 HNPQZPDYFJLFAH-KUNFZNJOSA-N 402.531 5.253 0 1 HKAF Oc1cc2cc(c1)Oc1cc(O)cc(c1O)CCCCCCCCCCCCCC2 238763647 KFTUVAXQACGJPT-UHFFFAOYSA-N 412.570 7.376 0 1 HKAF Cc1ccc(/C=C2\CN3[C@H]4CC[C@H]3[C@@H](COC(=O)c3ccccc3)[C@H]2C4)cc1Cl 253697053 PNDOIIRQADCQOY-DDEDMTHFSA-N 407.941 5.372 0 1 HKAF C[C@H]([C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@]4(C)[C@@H]3CC[C@@]12C)N(C)C 257620486 XHAWQUMRBLUKQA-UZUKVYSTSA-N 416.738 6.552 0 1 HKAF CCOCc1ccc(-c2nc3c(F)c(Nc4ccccc4)c(C(=O)OC)cc3[nH]2)o1 586903935 VXJASVQLHCKSET-UHFFFAOYSA-N 409.417 5.029 0 1 HKAF CCOc1cc(/C=C\c2nc3ccc(F)c(C)c3[nH]2)cc(Br)c1OC 586976735 BORCSPIZGQCBOE-YVMONPNESA-N 405.267 5.351 0 1 HKAF Cc1c(Br)cc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2c1C 586982446 YEOKWVJHYSMMCP-UHFFFAOYSA-N 408.093 5.184 0 1 HKAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c(Cl)ccnc2[nH]1 587018589 IZBVWBQJEWXWQA-UHFFFAOYSA-N 423.756 6.368 0 1 HKAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc(Cl)cc(Br)c2[nH]1 587027668 ZOJJOPYUAWQFCP-UHFFFAOYSA-N 408.708 5.595 0 1 HKAF COc1cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2cc1C 587056935 QDWOBPBIXNKSDJ-UHFFFAOYSA-N 403.265 6.026 0 1 HKAF C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccc(F)c2[nH]1 587057412 WFVXBKCTOZASQY-GFCCVEGCSA-N 417.267 6.941 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2c(C)c(Br)cnc2[nH]1 587074575 XQOFZNIPHKCNFG-UHFFFAOYSA-N 412.718 6.325 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(OC5CCCCC5)cc4)nc13)-c1ccccc1C2=O 587099355 FUWQVQQQMHYDAC-UHFFFAOYSA-N 419.524 7.133 0 1 HKAF O=C(O)CCn1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c2ccccc21 587105152 QKVZBWHUMRUSDY-UHFFFAOYSA-N 418.452 5.543 0 1 HKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)cc(Br)c2[nH]1 587113848 NZAAOYACTZTUCL-SECBINFHSA-N 417.656 6.344 0 1 HKAF Cc1cc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145077 TZSOPGWETGIYCX-UHFFFAOYSA-N 415.251 6.349 0 1 HKAF Fc1ccc(/C=C/c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(F)c1 587147603 AERDIEFOEQOLGE-DUXPYHPUSA-N 403.148 5.793 0 1 HKAF Fc1ccc(-c2cn3c(Cc4nc5ccc6c(c5[nH]4)CCCC6)csc3n2)cc1 587165987 KDGSUVCMHAWBEI-UHFFFAOYSA-N 402.498 5.548 0 1 HKAF C[C@]1(c2ccc(OCCF)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335405 QWVROQWXZNRIKK-ISKFKSNPSA-N 410.416 5.154 0 1 HKAF C[C@@]1(CCCCCCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348044 CACYXIGJSSGQLQ-GGAORHGYSA-N 400.446 5.074 0 1 HKAF COc1cccc(-c2cc(-c3ccc(OC(C)C)cc3)nc3c2oc2ccccc23)c1 587363644 RVIBWPQZNUROAR-UHFFFAOYSA-N 409.485 7.111 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(Br)cc1)[C@@H](C2)C3=O 587416658 DWPLKTJKHAPHFT-CVDCTZTESA-N 421.290 5.149 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cccc(-c4ccccc4)c1)[C@@H](C2)C3=O 587445854 OYHUJMLZNYODMI-ABYGYWHVSA-N 418.492 6.053 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cccs1)(c1cccc3ccccc13)CC2=O 587495769 TYIUJELBLHFDGZ-SANMLTNESA-N 414.526 6.468 0 1 HKAF CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1O 587500981 VTSXHQNRQKNKEA-SFHVURJKSA-N 417.299 5.139 0 1 HKAF O=C1C[C@@H](c2cc(OCc3ccccc3)ccc2O)Oc2c1ccc1c2CCCC1 587524414 ODBWTSJUDCGREZ-VWLOTQADSA-N 400.474 5.557 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)cc(Cl)cc1Cl 587544695 NIXGQSAXROJCSN-YLJYHZDGSA-N 403.217 5.108 0 1 HKAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(F)(F)F 587547878 MESYXMRNTUAPTK-RXVVDRJESA-N 416.351 5.123 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCOc1cc(Cl)ccc12 587553282 VGCCBSBFTMFRLS-NFBKMPQASA-N 408.837 5.075 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCCCC2)cc1 587595626 POBUIRGBOVQIOW-OZXSUGGESA-N 415.489 5.476 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cc2ccccc2)s1 587614155 RJJJSMSBUKDVJF-DHLKQENFSA-N 414.482 5.747 0 1 HKAF CCc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587621889 NWLGUNRRWADTRX-UHFFFAOYSA-N 409.114 6.343 0 1 HKAF CCCc1c(-c2ccc(Cl)cc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12 587621966 RHURWQHOODEFQP-UHFFFAOYSA-N 423.141 6.733 0 1 HKAF CO[C@H](C)c1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2N)cc1 587626891 YGBJWVOIOJQDKD-SECBINFHSA-N 402.338 6.162 0 1 HKAF O=C(c1ccc(Cl)cc1)c1c(-c2ccccc2O)[nH]c2ccc(F)c(Cl)c12 587629090 UAHYHECGIYZJNF-UHFFFAOYSA-N 400.236 6.217 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(C(=O)c3cc(C)ccc3O)c2c1 587642828 WJBJPKWMNIJLFY-INIZCTEOSA-N 417.936 7.247 0 1 HKAF CCOc1ccc(-c2nn(-c3ccccc3Cl)c(=O)c3ccccc23)cc1OCC 587669019 QGMXHRWQOPCQPG-UHFFFAOYSA-N 420.896 5.504 0 1 HKAF Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 587678043 MSSZALBXUREBAQ-BTDLBPIBSA-N 413.128 5.283 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(OCC3CC3)c2)N1 587719568 QDLCZMLCYWNVEX-PRWKNARSSA-N 408.286 5.140 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2N2CCCCC2)N1 587767565 RSXJRBXCCYEYLK-SPLOXXLWSA-N 403.339 5.202 0 1 HKAF CCOc1ccccc1OCc1nc2cc(OC(C)C)c(Br)cc2[nH]1 587780037 KWFBLGBVCJYFBZ-UHFFFAOYSA-N 405.292 5.090 0 1 HKAF CCO[C@H](C)c1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587794645 PEFDOUZVPHXASD-PXIJXODZSA-N 406.339 5.483 0 1 HKAF CC[C@H](C)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587808845 QYAXXSQTQZAHHX-QRQYBIJMSA-N 406.339 5.734 0 1 HKAF CC(C)c1ccc2c(c1)[C@@]1(CCCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587836077 RLAFJTREDLNXHS-PEBXRYMYSA-N 418.350 5.662 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(CN3CCCCC3)cs2)N1 587845818 GBONJPBGXBFLMF-RBZFPXEDSA-N 423.395 5.259 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl 587871277 RSKIOWCNXIKHEE-UHFFFAOYSA-N 419.205 6.403 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc([C@@H]3CN4CCC[C@@H]4CO3)n2)cc1 587923064 LSTMLLNQCJHMOL-UTKZUKDTSA-N 419.525 5.633 0 1 HKAF COc1ccc(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1OC 587927289 OGOLCHNSNDNDFY-UHFFFAOYSA-N 404.310 5.209 0 1 HKAF COc1ccc(-c2cccc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2)cc1 587934825 FSTDJKJCNVLDGE-UHFFFAOYSA-N 404.779 5.319 0 1 HKAF Cc1cc2c(cc1F)[C@]1(C=C(c3ccccc3)Oc3c1ccc1ccccc31)NCC2 962088796 GSPQWMFWAQUFDC-MUUNZHRXSA-N 407.488 6.110 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@]1(C)c1cc(Cl)c(Cl)cc1F 962374176 OLVFTUTTYPJDKV-HXUWFJFHSA-N 409.357 5.854 0 1 HKAF COc1cc2c(cc1OC)[C@@H](c1ccc(N(C)c3ccc(F)cc3)cc1)N(C)[C@@H](C)C2 962630799 SVODBIHCMUSJHB-MRDQGFSESA-N 420.528 5.577 0 1 HKAF CCCN1[C@@H](c2ccc(OC)c(OCc3ccccc3F)c2)c2ccccc2C[C@H]1C 963229737 OZNAAUFSFZCEEY-WINIVTDRSA-N 419.540 6.159 0 1 HKAF Cc1cc2c(cc1O)[C@@](C)(c1cc(Cl)ccc1Oc1ccccc1)N[C@H](C(=O)O)C2 963529870 ZKCCDWWXFAFWRJ-RDPSFJRHSA-N 423.896 5.009 0 1 HKAF O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2n1CCCCC(F)F 1772575479 WULGLBKQAHRLTL-UHFFFAOYSA-N 400.513 5.775 0 1 HKAF COc1ccc(-c2onc3c2CCc2c-3[nH]c3ccc(C)cc23)cc1Br 1772585849 BJOXHFQTEQTRLD-UHFFFAOYSA-N 409.283 5.668 0 1 HKAF CSc1ccc(/C=C2/C(C)=C(CC(=O)NCCCN(C)C)c3cc(F)ccc32)cc1 1772590815 VNWDRLJTHFUVNZ-HMAPJEAMSA-N 424.585 5.333 0 1 HKAF COc1ccc(Nc2ncnc3c2[C@@H](c2cc4ccccc4[nH]2)c2c(n[nH]c2C)O3)cc1 1772614308 QYVXVJCDRZXRHK-FQEVSTJZSA-N 424.464 5.028 0 1 HKAF Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)Nc1ccc(Br)cc1 1772617081 RUDWBXCOTUHPME-UHFFFAOYSA-N 417.306 6.225 0 1 HKAF Clc1cccc(N2CCN(CCOc3ccc4ccccc4c3)CC2)c1Cl 1857773762 OPAMSKBJGFONCO-UHFFFAOYSA-N 401.337 5.348 0 1 HKAF O=C1C[C@H](c2ccc(-c3nnc(-c4ccccc4Cl)o3)cc2)Oc2ccccc21 1911583029 RKGMKFWNZIKNNL-OAQYLSRUSA-N 402.837 5.764 0 1 HKAF CC(C)=CCC=C(C)[C@@H]1CC[C@](C)(O)[C@H]1Cc1c(O)c(Cl)c(C)c(C=O)c1O 2356324340 QIUWFFMCYFLNHN-NVVBAYIOSA-N 406.950 5.494 0 1 HKAF CC1(C)CC[C@@H]2C(=CC[C@]3(C)[C@@H]2CC[C@@H]2[C@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@]23C)C1 2356491659 OBHWNKUWFZOSIH-KUMNWJBTSA-N 412.702 7.779 0 1 HKAF C[C@@H]1CCC([C@H](C)[C@@H]2[C@H](O)C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1 2356585196 HFOSABNORYNULM-RZVXKJCHSA-N 415.662 5.484 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CCC=C(C)CC[C@]1(C)C(C)=CCC[C@H]1C 2356784528 OYUKOZCIOIIEID-ATIYNZHBSA-N 423.649 6.108 0 1 HKAF CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N1CCOCC1 4215565 SGRSKAQWPPTBLO-RPBOFIJWSA-N 420.553 5.226 0 1 HKAF CCCCc1c2c(nc3c1CCC/C3=C\c1ccccc1)/C(=C/c1ccccc1)CCC2 5499263 XOLSPBQNCXYXHM-CDTUYSNOSA-N 419.612 8.178 0 1 HKAF CN(Cc1ccc(C(C)(C)c2ccccc2)cc1)Cc1cccc2c(Cl)csc12 5962414 QJLDKGLKIVYRIH-UHFFFAOYSA-N 420.021 7.513 0 1 HKAF C/C(=C\CCc1coc(Cc2ccoc2)c1)CCC[C@H](C)/C=C1/C=C(CO)C(=O)O1 13406226 HTWYMLPJNGFCCQ-ZIAPQGHNSA-N 410.510 5.508 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)C(C)(C)C 13557433 UEAFSQXNJOKNMX-ADPXBSPTSA-N 424.411 5.658 0 1 HKAF CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)c(Br)c1 13606930 YKLIYBKLZMPPHA-WEVVVXLNSA-N 416.315 5.170 0 1 HKAF Cc1ccc(-c2ncc(C(=O)NCCOc3ccccc3)nc2-c2ccc(C)cc2)cc1 13979849 NCUFVFKMLXNGGJ-UHFFFAOYSA-N 423.516 5.236 0 1 HKAF C[C@@H]1CN(CCc2cccs2)CC[C@@H]1N(C(=O)c1ccco1)c1ccccc1F 26741340 UYNCWMMWKZSGBI-XLIONFOSSA-N 412.530 5.080 0 1 HKAF CCOC(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(C(F)(F)F)cn12 26835783 XVHAICNXHFWMSC-UHFFFAOYSA-N 417.214 5.433 0 1 HKAF CC(C)=CCn1cc(-c2ccc(Cl)cc2)c([C@H](c2ccccc2)n2ccnc2)c1 28470351 ULJRYPHSNIZEHZ-VWLOTQADSA-N 401.941 6.609 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N(C)c2ccc(O)cc2)C(C)(C)CCC1 28896182 CTCOHSHUIJXCNL-ABRSJASVSA-N 405.582 6.887 0 1 HKAF CCCCc1cc(=O)oc2c3c(c4c(c12)O[C@@H](c1ccccc1)C=C4)O[C@H](C)CC3=O 29133179 KYAMLCNSTRSCGH-FOIQADDNSA-N 416.473 5.636 0 1 HKAF CCC1=C(c2ccccc2)c2ccc(OC[C@H](O)CO)cc2Sc2ccccc21 33889741 ZGXGFEVDBDINAN-GOSISDBHSA-N 404.531 5.252 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3C/C(=N\O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 40457076 OHVJEOXDVIFIPO-BFNNDKQYSA-N 413.646 7.037 0 1 HKAF CCCn1c(-c2cnc(Nc3ccc(C)nc3)c(Cl)c2)nc2cccc(Cl)c21 43201013 RGKVPYQYBUAAEH-UHFFFAOYSA-N 412.324 6.262 0 1 HKAF O=C(O)Cc1sc(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1ccccc1 45365559 KFGXBMYIMCXPKF-UHFFFAOYSA-N 421.468 5.896 0 1 HKAF CCOC(=O)/C(=C/Nc1ccc(F)cc1F)c1ccc(OCc2ccccc2)cc1 72175065 YTHAKRSTBJUXOM-RCCKNPSSSA-N 409.432 5.560 0 1 HKAF CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(-c3ccnc4[nH]ccc34)cc2)c1 73276975 SHMUUFYLGYRWKD-UHFFFAOYSA-N 413.481 5.012 0 1 HKAF COc1ccc(Oc2cncc(NC[C@]3(C)C[C@@H](O)CC(C)(C)C3)n2)c2ccccc12 82068888 WAZNSSOJHBBVKK-SSOJOUAXSA-N 421.541 5.420 0 1 HKAF CCc1cnc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccco2)s1 82165611 CGMNTSAELFZRAV-UHFFFAOYSA-N 418.566 6.332 0 1 HKAF Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2ncc(C)o2)c1 82173042 YFKVLKKIHUQDQW-OFCAXSSNSA-N 402.542 5.898 0 1 HKAF Cc1ccc(-c2cc(-c3ccccc3OCCCC(=O)O)nn2-c2ccccc2)cc1 95589829 COBLVXOZDMAXII-UHFFFAOYSA-N 412.489 5.758 0 1 HKAF COc1cc(OC)cc(-c2cc(C)c3nc(Nc4ccc(C)c(C)c4)nnc3c2)c1 96167700 QOZSLSADUPZZKW-UHFFFAOYSA-N 400.482 5.378 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3/C[C@@H](O)C[C@H](O)/C3=C/F)CCC[C@@]21C 102193704 SDBKJGWYBRQPAF-KWOLTAFSSA-N 418.637 6.887 0 1 HKAF CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1 103229140 DJTCVCJHIRXTQA-UHFFFAOYSA-N 418.213 5.806 0 1 HKAF COc1cccc([C@H]2CC3=Nc4ccccc4N[C@H](c4cccs4)C3=C(O)C2)c1 104701316 KNQLJGLOUJWXEQ-UPCLLVRISA-N 402.519 6.386 0 1 HKAF C[C@@H]1[C@H](O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(c5cncc(C(F)F)c5)=CC[C@H]4[C@@H]3CC[C@H]12 141072193 RBGBTXNNGSQRNJ-ZCFFGZRDSA-N 415.568 6.662 0 1 HKAF CCCCNC[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)c(OC)cc12 169333435 LFXKTQOSKNZIRH-OAQYLSRUSA-N 419.352 5.640 0 1 HKAF C[C@H](N=O)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 169728268 DVWPVYUBVOIVPW-NSHDSACASA-N 413.827 6.243 0 1 HKAF CC(C)=C[C@@H](C)C/C=C/Cc1c(C)cc2c(c1O)C(=O)[C@@H](c1ccc(O)cc1O)CO2 238750341 DTOHKGTXVWEZIA-YONMQOAISA-N 422.521 5.562 0 1 HKAF CCCCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)O 238762525 FQYWAQLILQWTQT-YMEULGMYSA-N 410.642 8.666 0 1 HKAF COc1cc2c(c(OC)c1-c1ccc3cc(C)cc(OC)c3c1O)[C@H](C)N(C)[C@@H](C)C2 238784493 SJNZZGIFTLOUDH-HOTGVXAUSA-N 421.537 5.484 0 1 HKAF C[C@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@@]5(C)[C@H]4CC[C@]32C)O[C@]12CC[C@@H](C)CN2 255224495 KWVISVAMQJWJSZ-YMQQNEDESA-N 413.646 5.287 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1C[C@H](C)[C@H]2[C@@H]3CC[C@H]4C(C)(C)CCC[C@@]45C[C@@]35CC[C@@]21C 255285781 YWQSXCGKJDUYTL-HOWGBSLLSA-N 410.730 9.054 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257608680 WOVIRZFRRNEFES-NWBHJNONSA-N 414.718 8.313 0 1 HKAF endogenous,in-man C[C@@H](Sc1nnc(-c2ccncc2)s1)C(=O)Nc1c(Cl)cccc1Cl 473082889 LPTFQLIPQOMSGZ-SECBINFHSA-N 411.339 5.026 0 1 HKAF Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ccc(Br)cn1 473107744 KGZMHYRNPOQAQU-UHFFFAOYSA-N 424.245 5.196 0 1 HKAF O=C(O)c1cc(Br)cc2nc(CCCCCCCCCCCO)[nH]c12 586894910 YBRLTGDGSRJXEE-UHFFFAOYSA-N 411.340 5.069 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(F)ccc4Br)nc13)-c1ccccc1C2=O 586997311 XAQIGHMDAFFZGV-UHFFFAOYSA-N 418.265 6.323 0 1 HKAF Cc1cc2c(Br)ccc(-c3nc4c(C)c(Br)cnc4[nH]3)c2o1 587002858 DXHJMRJCONNTSG-UHFFFAOYSA-N 421.092 5.513 0 1 HKAF FC(F)(F)c1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1Cl 587005155 PUJYWOBKLIMGSW-UHFFFAOYSA-N 411.008 5.713 0 1 HKAF COc1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cc1C 587010822 HHPQVHHANUMZNT-UHFFFAOYSA-N 406.532 6.647 0 1 HKAF COC(=O)c1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cn1 587010826 HMYGQAGQXWOEEZ-UHFFFAOYSA-N 421.503 5.512 0 1 HKAF Cc1nc2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc2cc1Br 587016050 ODHHWXNWUXDZAQ-UHFFFAOYSA-N 405.708 5.473 0 1 HKAF COC(=O)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc2c1OC 587030853 LJTGLJDXLIUPRX-ZDUSSCGKSA-N 421.522 5.317 0 1 HKAF COc1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cc(Cl)c1OCC(C)C 587046617 YLFBUIZUAKSHKJ-UHFFFAOYSA-N 400.693 5.629 0 1 HKAF Cc1onc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)c1COc1ccccc1Cl 587062958 DWRAPCALZRDLCN-UHFFFAOYSA-N 410.207 5.690 0 1 HKAF COc1ccc2[nH]c3c(c2c1)Cc1nc2c(C)ccc4c2c(c1C3)-c1ccccc1C4=O 587098301 WZQYXHAPFNKNGP-UHFFFAOYSA-N 416.480 5.740 0 1 HKAF COc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1OC(F)F 587104317 SBQBBWPDEHEFDN-UHFFFAOYSA-N 403.384 5.723 0 1 HKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 587242619 XLVMTAWODQJJMC-UHFFFAOYSA-N 421.726 5.416 0 1 HKAF O=C(Nc1ccccc1)c1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)cc1 587243597 HCOZWHXKYRTEEF-UHFFFAOYSA-N 410.246 5.384 0 1 HKAF COc1cccc(-c2c(Cc3cccc(N)c3)c(C(C)C)nc3c2oc2ccccc23)c1 587362305 GVISHZULLWCLCX-UHFFFAOYSA-N 422.528 6.953 0 1 HKAF COc1cccc(-c2cc(-c3cc(C)cc(C)c3OC)nc3c2oc2ccccc23)c1 587363048 PAFLMUJKVSXHDJ-UHFFFAOYSA-N 409.485 6.949 0 1 HKAF COc1cccc(-c2cc(CSc3ccc(C)cc3)nc3c2oc2ccccc23)c1 587364441 FCMVIQQMNYNOFN-UHFFFAOYSA-N 411.526 7.257 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)nc(-c3ccccc3)nc1S)CC2=O 587491121 ISSGDBOQLISLGN-XMMPIXPASA-N 420.534 5.279 0 1 HKAF O=C1C[C@@]2(CCC[C@H]2c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 587506810 PIVWXFFYAMYTBY-FDDCHVKYSA-N 401.333 6.544 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cc(Cl)c(Cl)cc12 587552078 NFYYJMKHYMBRFM-KNQAVFIVSA-N 413.256 5.502 0 1 HKAF CCc1ccccc1-n1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587577034 LPLSTBPBRDMHGJ-BVAGGSTKSA-N 411.457 5.448 0 1 HKAF CC(C)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587580396 XQFNAMAXVWXRPB-BVAGGSTKSA-N 413.473 5.706 0 1 HKAF CCOC(OCC)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587594488 LNVJEJYPQFBETO-QPPBQGQZSA-N 420.461 5.167 0 1 HKAF CC(C)CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587595922 LWJGMTOGYZUBNK-RCZVLFRGSA-N 404.462 5.520 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2cccs2)cs1 587610473 GDUOAHYICJGDFR-KNQAVFIVSA-N 406.484 5.885 0 1 HKAF COc1cc(C)c(Cl)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587691400 FMNIWQUEFDBMKO-WYRIXSBYSA-N 412.730 5.356 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(C(F)(F)F)c2F)N1 587713587 SSDOBJGUGJPPAZ-VVVCHXIZSA-N 420.219 5.544 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(SC(F)(F)F)c2)N1 587715463 BXBNWSAPMNZMIS-FVMDXXJSSA-N 420.269 5.824 0 1 HKAF Cc1cc(F)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587715511 HXRKTPHCDPWXHG-YPMLDQLKSA-N 400.694 5.487 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2-c2ccc(F)cc2)N1 587735453 PXDQEURTZFHDKQ-QKVFXAPYSA-N 415.281 5.413 0 1 HKAF COc1ccccc1-n1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587754463 MCIUKWHZPCULBF-ZSEKCTLFSA-N 415.306 5.011 0 1 HKAF Cc1ccc(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587799551 XUCSCDIQXUIKNN-ZSEKCTLFSA-N 414.322 5.219 0 1 HKAF CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCC)c1 587802199 PWOSSPSIJSPALU-YEJXKQKISA-N 422.338 5.183 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3ccccc3)c2)N1 587810812 MBNOVDYPGSBQHU-FPTDNZKUSA-N 412.302 6.004 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3cccs3)n2)N1 587852707 NCTKBIZAJFPAMB-WYRIXSBYSA-N 403.320 5.335 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(-c3ccccc3)s2)N1 587854193 QJHUVHTZVUISEA-BBATYDOGSA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1ccc(OC)cc1 587858866 OBPMYADQLOIVLP-UHFFFAOYSA-N 405.281 5.147 0 1 HKAF COc1ccc(C(C)(C)C)cc1-n1nc(-c2ccccc2C(F)(F)F)cc1OC 587862745 HAOAMDHESQMNJN-UHFFFAOYSA-N 404.432 5.873 0 1 HKAF COc1cccc([C@@H](C)Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 587929525 BMSBNOPYBWUFSJ-JTQLQIEISA-N 413.237 5.699 0 1 HKAF COc1ccc([C@H](c2ccccc2)c2nc3cc(C)c(Br)cc3[nH]2)cc1 587933421 NQXXTLSHEJAMII-NRFANRHFSA-N 407.311 5.823 0 1 HKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)C1 587968357 AQGJHFSVKHGFHQ-NXEZZACHSA-N 405.258 6.154 0 1 HKAF CCC/C=C/C[C@@H]1C/C=C/C=C(C)/C=C/C=C\[C@@H](O)[C@H](O)/C=C(C)/C=C/C=CC(=O)N1 653745659 ALYLZDHKQZUVDF-BZCZQKQDSA-N 423.597 5.017 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 685935926 KZJWDPNRJALLNS-JCTNAQFXSA-N 414.718 8.025 0 1 HKAF biogenic,in-vitro Cn1cccc1CN1CCc2sccc2[C@@H]1c1csc(COc2ccccc2)n1 962372539 ISJJZINTPDQEEA-HSZRJFAPSA-N 421.591 5.270 0 1 HKAF CC[C@@]1(c2ccc(Cl)c(Br)c2)c2c(F)cccc2C[C@H]2CCCN21 963106290 KCGAMPNBJVWVKD-FOIQADDNSA-N 408.742 5.916 0 1 HKAF Cc1ccncc1[C@]1(c2cc(F)c(F)c(F)c2)c2c(F)cccc2C[C@H]2CCCN21 963106733 NAHJSYKODCQPSF-MZNJEOGPSA-N 412.430 5.259 0 1 HKAF CCCCC(=O)Oc1c(-c2csc3ccccc23)oc2ccc(OC)cc2c1=O 1857592625 OJSVOKLMCCTNNA-UHFFFAOYSA-N 408.475 5.779 0 1 HKAF CC(C)CC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2[C@H]1C 2356413479 YHRVCEOENVRMCE-JJOBTIOGSA-N 416.646 5.347 0 1 HKAF CC(C)=CCCC(C)=CC[C@@]12CCN(C)[C@H]1Nc1c(Br)ccc(O)c12 2356461899 YFSNZRUSLZKXIV-RTWAWAEBSA-N 405.380 5.562 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)[C@H](C)[C@@H]1CC3 2356472383 VSGFTONSNLGNKU-HFMMYCKPSA-N 412.702 7.801 0 1 HKAF CCC(=O)O[C@@H]1C=C(C(=O)OC)[C@H](CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@@H]12 2356517866 WNVLMFHRBFVUQZ-YWQGAKJTSA-N 402.531 5.096 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@H]1[C@@H](C)C[C@@H]1[C@H]2CC=C2C[C@H](O)CC[C@@]21C)C(C)C 2356621977 XEEOCMDRLJGHAY-HYKQUOJMSA-N 414.718 7.881 0 1 HKAF C[C@@H](CC=CC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356707972 CRBBVTAXSNJDMS-CNXJXGGASA-N 400.647 6.280 0 1 HKAF COc1c(C(C)(C)C)cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1C(C)(C)C 205715875 WZEHHRNDNKLNIS-MRXNPFEDSA-N 415.599 5.430 0 3 HKAF C[C@@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1)c1ccc(F)cc1 4208328 SCENWXDAMFQKAL-XFPJRNFQSA-N 412.848 5.041 0 1 HKAF COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC(C)(C)C)cc2)cc1 13557934 AMODSLYCSXXNDF-UHFFFAOYSA-N 418.493 5.377 0 1 HKAF CN(C(=O)C1C(c2ccccc2)=C1c1ccccc1)[C@H]1CCCC[C@@H]1N1CCCC1 13911790 XUMODSIILKPTJT-GOTSBHOMSA-N 400.566 5.093 0 1 HKAF Oc1ccc2c(c1)CCc1ccc(O)c(c1)Oc1ccc(cc1)CCc1cccc(O)c1-2 14659199 NSCJOIQNVRCXIF-UHFFFAOYSA-N 424.496 6.147 0 1 HKAF biogenic CC(C)C[C@@H](O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 14973009 KBGILBFLWIHATK-MRJKIRGPSA-N 402.663 6.360 0 1 HKAF CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCN(C(=O)CO)C=C21 26258922 AHGMWEWSNMOGNW-UWVAXJGDSA-N 415.574 5.065 0 1 HKAF Fc1ccc(C[C@H](Nc2nc3cc(C(F)(F)F)ccc3o2)c2ccccn2)cc1 28006073 ZUTORCMXOROFKD-KRWDZBQOSA-N 401.363 5.777 0 1 HKAF O[C@@H](CCc1ccccc1)[C@@H]1CCC[C@H]1COCc1ccc(OC(F)(F)F)cc1 28571228 SCSQRCISSSAVPX-NNWRFLSQSA-N 408.460 5.512 0 1 HKAF CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2ccc3ncccc3c2C1 28821549 IAOGMLSADOILPN-HXUWFJFHSA-N 417.528 5.504 0 1 HKAF CCCCCCN=c1ccn(CCCCn2ccc(=NCCCCCC)cc2)cc1 29230480 MFNDEWJSRLJSHE-UHFFFAOYSA-N 410.650 5.732 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 31518905 WPCGHPRVQQXAMT-FDRPCONVSA-N 418.662 5.474 0 1 HKAF S=C(NCCc1ccccc1)Nc1cccc(OCCCCCc2ccccc2)c1 40950575 AXUCTDAIPOSHLO-UHFFFAOYSA-N 418.606 6.008 0 1 HKAF CN1CCCc2cc(NC(=O)/C=C/c3ccc(-c4ccc(F)cc4F)o3)ccc2C1 45187777 XSFWRAQVKNCVAQ-DHZHZOJOSA-N 408.448 5.255 0 1 HKAF C[C@@](O)(c1ccc(F)cc1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C 45288946 BRLSNZSPWLBFLZ-AYRHNUGRSA-N 420.503 5.939 0 1 HKAF Cc1[nH]c(C)c(-c2ccc(CCc3ccc(F)cc3F)cc2)c(=O)c1Br 45301983 MBIHNTPHENICSR-UHFFFAOYSA-N 418.281 5.485 0 1 HKAF CCOc1cc(NC2CCC(NCc3nc4ccccc4s3)CC2)ccc1OC 49036995 IEFUXYCUDWQTPN-UHFFFAOYSA-N 411.571 5.217 0 1 HKAF Cc1ccc(N[C@@H](C(=O)CCc2ccncc2)c2ccccc2C)c(C(F)(F)F)c1 52595031 LKQIIIZDHHYDSW-HSZRJFAPSA-N 412.455 6.072 0 1 HKAF CCCN(Cc1cccs1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 64622514 CNMFTKSUBXUIAT-UHFFFAOYSA-N 403.507 5.504 0 1 HKAF Oc1c(Br)cc(CCc2cccc(C(F)(F)F)c2)cc1Br 66098412 MHNUJPSIGSLKEG-UHFFFAOYSA-N 424.054 5.721 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CCC[C@H]3CCCC[C@@H]32)C(C)(C)CCC1 72111123 BRGUBXOKOZHFBC-IPAVTNCNSA-N 421.669 7.699 0 1 HKAF O=c1c(-c2cccc(F)c2)c(Br)cnn1Cc1cccc2ccccc12 73405171 BNFJKQUMVJNVGZ-UHFFFAOYSA-N 409.258 5.013 0 1 HKAF FC(F)(F)c1ccc(CNc2cc(Oc3ccc(-c4ccccc4)cc3)ncn2)cc1 82067666 GZMYMBHYKJVDAZ-UHFFFAOYSA-N 421.422 6.567 0 1 HKAF COc1cc(OC)cc(-c2cc3c(Nc4cccc(N(C)C)c4)nccc3n2C)c1 82082812 TUYIUPQOOLYBHM-UHFFFAOYSA-N 402.498 5.067 0 1 HKAF COc1ccccc1CNc1ncc(-c2nc(C)c(C)o2)c(-c2cccc(C)c2)n1 82173788 PZDDERAPGWVVOM-UHFFFAOYSA-N 400.482 5.345 0 1 HKAF O=C1CC(=O)CC(c2cccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)C1 102895588 ZPACAFBFZGSARV-UHFFFAOYSA-N 400.318 5.797 0 1 HKAF CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2sccc2C)C2=C(O)CC(C)(C)CC2=N1 104006900 SDZBXLWPUFGGGL-NRFANRHFSA-N 424.541 6.279 0 1 HKAF Cc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2c(C)cncc2[nH]1)C(F)(F)F 113504185 WPHQTOKGVMHYCJ-OAQYLSRUSA-N 408.439 5.523 0 1 HKAF C[C@H](NCCc1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118932515 LFPKSAIPLRXRML-VEEZVJAOSA-N 421.669 6.147 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3cncnc3)c2)cc(-c2ccc3occ(C)c3c2)n1 142658445 GYVAKYHGYJCHNQ-KRWDZBQOSA-N 421.504 6.137 0 1 HKAF CC(C)c1cc(CNC(=O)C(C)(C)c2nc3ccc(-c4ccccc4)cc3s2)on1 144081821 UVHGBTYSDWIAPE-UHFFFAOYSA-N 419.550 5.669 0 1 HKAF c1ccc(CN2[C@@H](c3ccccc3)C3=C(NO[C@@H]3c3cccnc3)[C@H]3CCCC[C@H]32)cc1 195451810 KURMYIOERUOJAA-RQDZCNCFSA-N 423.560 5.728 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]12C 255255300 OORMXZNMRWBSTK-UYWDIKPJSA-N 414.762 9.524 0 1 HKAF CN(C)CCCOc1ccc(NC(=O)c2cccc(-c3cccc(O)c3)c2)cc1Cl 299855318 DLDWJRFVQJTSAO-UHFFFAOYSA-N 424.928 5.295 0 1 HKAF Cc1nc(Nc2cc(C(C)C)ccn2)cc([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 299868509 ROSFWOBLBMDAEV-NRFANRHFSA-N 415.541 5.067 0 1 HKAF CC1(C)C[C@@H](c2ccc(Cl)cc2)C(Cn2c3ccccc3c3ccccc32)=NO1 473084577 RWXBISJRHAJBBT-NRFANRHFSA-N 402.925 6.787 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cnn(-c4ccccc4F)c3)nc3ccc(O)c1c23 586988945 TWUBRWWBISNREC-UHFFFAOYSA-N 407.404 5.144 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc2c1 587087145 IATJKAAIGRGYMG-UHFFFAOYSA-N 414.612 6.146 0 1 HKAF FC(F)(F)c1cc(Oc2ccc(-c3nc4ccncc4[nH]3)cc2)cc(C(F)(F)F)c1 587109689 IZKAWTHBBDRVFP-UHFFFAOYSA-N 423.316 6.455 0 1 HKAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)cc2N1 587125275 DEGRZRQBYBQXEJ-PWCHPLFNSA-N 423.748 5.406 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4ccc5nc(C)ccc5c4[nH]3)cc2F)c1 587142801 DNTWTEFOGTZSQZ-UHFFFAOYSA-N 417.871 6.555 0 1 HKAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(F)c(C)c4[nH]3)cc2)cc1F 587147276 JXESOEGLHBPMGH-UHFFFAOYSA-N 405.448 5.157 0 1 HKAF Fc1ccc(/C=C\c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(F)c1 587148252 HBNISLVJJWSEDW-RQOWECAXSA-N 403.148 5.793 0 1 HKAF Cc1nccc2[nH]c([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 587200043 UIMOGRPIAQIGSJ-INIZCTEOSA-N 412.493 5.208 0 1 HKAF C[C@@]1(c2cccc(C3CC3)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331438 JNAYGTZVLOURRL-DHLKQENFSA-N 406.428 5.822 0 1 HKAF COc1cccc(-c2cc([C@H]3C[C@H]3c3ccc(F)cc3)nc3c2oc2ccccc23)c1 587360768 SARWEYBHXYIKDP-GMAHTHKFSA-N 409.460 7.067 0 1 HKAF COc1cccc(-c2c(Cc3ccc(OC)cc3C)cnc3c2oc2ccccc23)c1 587362266 IGKKLYXHHFAGTC-UHFFFAOYSA-N 409.485 6.564 0 1 HKAF COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1SC 587379771 ZTCZPIVHNVPBKJ-VWNXMTODSA-N 424.493 5.536 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(-c3ccc(C(F)(F)F)cc3)c1)O2 587380467 FFHMLHYZEBPDHB-QHCPKHFHSA-N 411.423 6.144 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccc(F)cc3)nc1-c1ccccc1)O2 587385362 SGJZBIHVCWUMFF-QHCPKHFHSA-N 413.452 5.276 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1Br)(C(C)C)CC2=O 587456409 OILASFVBOPUOQD-JOCHJYFZSA-N 417.343 5.710 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)C(C)(C)c1ccccc1-3)CC2=O 587488725 LPEDQPFBLDJPRZ-NDEPHWFRSA-N 412.529 6.532 0 1 HKAF O=C1C[C@@](Cc2ccc(Cl)cc2)(c2ccccn2)Oc2c1ccc1c2CCCC1 587498252 DLRHDORKNVJFKE-VWLOTQADSA-N 403.909 5.717 0 1 HKAF CNc1ccc(C2(c3ccc(NC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511108 JAEZCNFDRDAZBA-UHFFFAOYSA-N 412.533 5.558 0 1 HKAF C[C@@H](c1ccccc1)n1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc2ccccc21 587516736 VLOAMSNADDCZFO-QYBDOPJKSA-N 422.528 6.231 0 1 HKAF CC(C)[C@@]1(CCc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550235 VXPPSDJMGWWMTR-RCZVLFRGSA-N 422.908 6.035 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccccc2nc1Cl 587554980 ZALVMHDZAVKLPG-DENIHFKCSA-N 403.821 5.297 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccccc2)cc1 587591904 IDHXILXXWHZQHN-SHQCIBLASA-N 424.452 5.674 0 1 HKAF COc1ccc([C@]2(CCC(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601906 VOBNRABDNDRXPF-OZXSUGGESA-N 418.489 5.694 0 1 HKAF CC(C)[C@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601968 VZYRDJPWIYMJCF-YIXXDRMTSA-N 416.517 6.203 0 1 HKAF Cc1nc(-c2ccccc2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587615952 YEPYTCYZWOZNQI-CVDCTZTESA-N 415.470 5.527 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(C(F)(F)F)N1 587709169 IZNNJKGFOPRCFC-XXFAHNHDSA-N 406.192 5.067 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2OC(F)(F)F)N1 587720406 NOEBQQFUROKSJR-PWJLMRLQSA-N 422.191 5.250 0 1 HKAF Cc1ccc([C@]2(C3CCCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587819160 LNGJNFUHHBVMDW-QRQCRPRQSA-N 402.351 5.865 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C(=O)C3CCCC3)c2)N1 587822082 ZPENPVFROGACFY-YEJXKQKISA-N 416.334 5.585 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(Br)c2)N1 587850415 YVXFAQGRAJSSHX-JKYUHCHBSA-N 405.130 5.036 0 1 HKAF Cc1ccccc1-c1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587853033 KKACMBDRWQPSFP-HXPMCKFVSA-N 417.347 5.644 0 1 HKAF Cc1nc(N[C@@H]2CC(C)(C)Oc3ccccc32)cc(-c2ccc3ncsc3c2)n1 653663065 RTALZVOFOYCSGX-LJQANCHMSA-N 402.523 5.776 0 1 HKAF CCCOc1cccc([C@@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 653665770 NWRZKFOSOJKRHM-OAHLLOKOSA-N 404.539 6.024 0 1 HKAF CCOc1ccc([C@@]2(c3ncccc3C)NCCc3cccc(-c4ccccc4)c32)cc1 962663782 GTPCOLCHSMQGTO-GDLZYMKVSA-N 420.556 5.893 0 1 HKAF Fc1ccc([C@H](c2ccccc2)[C@@H]2c3ccsc3CCN2Cc2ccco2)cc1 962709920 KNRRLFDANBFPDT-DQEYMECFSA-N 403.522 6.412 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2ccc(Oc3ccc(F)cc3F)cc2)N1 962954777 LNYKQGDXIRHEDH-QYBDOPJKSA-N 418.487 6.426 0 1 HKAF CCCOc1ccc([C@@]2(c3ccc(Cl)nc3)NCCc3c2sc(C)c3C)cc1 963027375 SNOKHRKFGVRHRK-QHCPKHFHSA-N 412.986 5.640 0 1 HKAF COc1ccc([C@@H]2C[C@@]3(c4ccc(F)cc4C[C@H]4CCCN43)c3ccccc3O2)cc1 963103941 OWTDDCAVGGNBPA-COFKYPDJSA-N 415.508 5.622 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccccc1Sc1ccc(Cl)cc1 963245121 ZMLVGHIAXDRUBF-BVZFJXPGSA-N 408.010 7.237 0 1 HKAF COc1ccc2c(c1)[C@@H](c1ccnc(C(C)(C)C)c1)N(Cc1ccc(F)cc1)CC2 963300668 GTJIUXZHWCGYOK-RUZDIDTESA-N 404.529 5.675 0 1 HKAF C[C@@H]1N(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CC1(C)C 1772582825 IGURXAMRRWYRLR-ZDUSSCGKSA-N 415.415 5.311 0 1 HKAF COc1cc(/C=C/C(=O)Nc2ccccc2)ccc1OCCCCCN1CCCCC1 1772590894 YKHAIGLEUINAGM-JQIJEIRASA-N 422.569 5.382 0 1 HKAF COc1ccc(C(C)(C)C)cc1-c1cccc([C@@H](CC(=O)O)c2nc(C)c(C)s2)c1 1772634309 LEUGOCPTHUIKAO-OAQYLSRUSA-N 423.578 6.340 0 1 HKAF CCc1ccc(NC(=O)c2cccc(Oc3cc(CN)cc(C(F)(F)F)n3)c2)cc1 1857559894 HFEMNNNOZWVSIN-UHFFFAOYSA-N 415.415 5.166 0 1 HKAF Oc1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)nc3c2Cc2ccc(O)cc2-3)cc1 1857606786 IVQNAXHKYHMAOY-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF CC(C)CC[C@@H]1C[C@H](Cc2ccc(O)cc2)C[C@H]([C@@]23CC[C@@H]([C@H](N)C2)C(C)(C)O3)C1 2356369987 KHUUTQFLJGKBMD-RNYFIRDQSA-N 413.646 6.078 0 1 HKAF CC(C)[C@@H]1CC[C@H]2[C@]3(C)CC=C4C(=CC[C@]5(C)CC[C@H](C)[C@H](C)[C@@H]45)[C@@]3(C)CC[C@]12C 2356424701 SUEBFPVZWVXEBN-RXLWRUQFSA-N 408.714 8.830 0 1 HKAF CC[C@H](CC[C@H](C)C1=CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(C)C 2356490171 YZASEYYDJZZZHQ-DHWHZVJVSA-N 412.702 7.945 0 1 HKAF CC(C)(O)C=CC[C@@]1(C)[C@H]2CC[C@@H]3Cc4c([nH]c5ccccc45)[C@]3(C)[C@]2(C)CC[C@H]1O 2356491990 UCZDOMMSHDUFIK-YBDKHPAPSA-N 421.625 5.892 0 1 HKAF CC(=O)O[C@@H]1C[C@H]2C(C)(C)CC=C[C@]2(C)[C@H]2CC[C@]3(C)[C@H](c4ccoc4)CC[C@H]3[C@]12C 2356522653 OIYMSAOAFKGCMV-YJJIJQLYSA-N 424.625 7.140 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 2356630465 SDNBTLXXEFTSQK-NWYADFRISA-N 418.706 6.685 0 1 HKAF CO[C@@H]1CC[C@]2(C)C(CC[C@H](C)CCOC(C)=O)=C(C)[C@H](OC(C)=O)C[C@H]2C1(C)C 2356756428 DXDXHGPOYKHGNN-MYCDCXOUSA-N 422.606 5.465 0 1 HKAF COc1cc(CCc2ccccc2)c(C(=O)O)c(O)c1C/C=C(/C)CCC=C(C)C 61944956 DKNIJLWIVUCTHW-UYRXBGFRSA-N 408.538 6.119 0 3 HKAF C[C@@]1([C@@H](NC(=O)c2ccccc2)c2ccc(-c3ccccc3)cc2)C[C@H]1C1CCCCC1 6202487 OOXXVKGKKJEPAG-TWLDFKIOSA-N 423.600 7.431 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2cccc(C(=O)O)c2)CCCC1 13736847 VIZNMUQTEJNNSG-UHFFFAOYSA-N 422.569 6.265 0 1 HKAF O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccccc2)nc2ccccc12 26292748 VRVPDSXLGJVZHN-UHFFFAOYSA-N 409.276 6.248 0 1 HKAF Cc1cc(C)cc(-c2c(OCC[C@@H]3CCCCN3C)c3ccc(Cl)cc3[nH]c2=O)c1 26579107 QXSVXBXAWRMBCQ-FQEVSTJZSA-N 424.972 5.719 0 1 HKAF O=C(CCc1ccc(-c2ccc(O)cc2Cl)s1)Nc1ccccc1C(=O)O 28863440 OYILCMCDPLSAFM-UHFFFAOYSA-N 401.871 5.044 0 1 HKAF Cc1ccc(-c2nc(CCOc3ccc4c(c3)CC[C@H]4CC(=O)O)c(C)s2)cc1 28951966 ABJIJOALHMGIMB-IBGZPJMESA-N 407.535 5.553 0 1 HKAF O=c1cc(-c2ccccc2)c2cc([C@H](c3ccc(Cl)cc3)n3ccnc3)ccc2[nH]1 29549625 RHBIJCCFGBZWIO-VWLOTQADSA-N 411.892 5.683 0 1 HKAF Clc1ccc(C[C@H](Cn2ccnc2)c2ccccc2Br)c(Cl)c1 33493865 UNIOWGGELLSLOW-CQSZACIVSA-N 410.142 5.979 0 1 HKAF CC(=O)O[C@@H]1C/C(=C/C[C@@]2(C)[C@H](C)CC[C@@]3(C)C(C)=CCC[C@H]23)[C@@H](OC(C)=O)O1 39162869 ZREAIEZMYZQUFC-SGNOFQNKSA-N 404.547 5.300 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@@]43C)[C@@H]1CCC2=O 40487368 FXJBFSBELBAUFO-ICRGRLMZSA-N 413.565 5.409 0 1 HKAF CCC(CC)CN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(Cl)c(Cl)c1 40939863 PTAKLRIQLXIQFJ-UXHICEINSA-N 420.336 5.795 0 1 HKAF CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2c(/C=C/c3ccccc3)cccc21 58558749 FRYNIFVMXQRIQJ-QSRYBZNWSA-N 401.525 6.112 0 1 HKAF CC(=O)N1c2ccc(NC(=O)c3ccccn3)cc2[C@](C)(c2ccccc2)CC1(C)C 59084451 YDZOMCRPHBKBDJ-SANMLTNESA-N 413.521 5.175 0 1 HKAF Clc1ccc([C@@H]2C[C@H]3CC[C@H](S3)[C@@H]2c2cc(-c3ccccc3)no2)cc1Cl 66111523 KWPJGSRDVFKINU-AERDPVEMSA-N 416.373 7.184 0 1 HKAF Clc1ccc(Nc2cc3ccccc3[n+](CCCCCc3ccccc3)c2)cc1 66166048 OMWHAKIXIROPNM-UHFFFAOYSA-N 401.961 6.937 0 1 HKAF CCOC(=O)/C(=C\Nc1ccc(C(C)C)cc1)c1ccc(OCc2ccccc2)cc1 72175066 VHOPPUIZKRJNCN-ITYLOYPMSA-N 415.533 6.405 0 1 HKAF CC1(C)CC(=O)c2c(nn(-c3ccc(Cl)cc3)c2-c2ccc(C(C)(C)C)cc2)C1 73221937 PRDQFBJDVRSFOC-UHFFFAOYSA-N 406.957 6.645 0 1 HKAF Oc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1Cc1cc2ccccc2nc1C3 82150484 YKWZMWSXXRXFPC-HNPKZYAISA-N 410.561 5.024 0 1 HKAF CCCCCc1nc(-c2cnc(NC3CCCC3)nc2-c2ccc(F)cc2)oc1C 82164069 FNGBNNOTYZZAAF-UHFFFAOYSA-N 408.521 6.333 0 1 HKAF Brc1ccc(Nn2c(-c3ccccc3)nc3c2[C@@H]2C=CC=C[C@@H]2C=N3)cc1 104287359 RBIAMFBUQSNWDH-VQIMIIECSA-N 417.310 5.730 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118924015 ATSOHKZZFSOWDR-GWLWVJDJSA-N 416.734 7.961 0 1 HKAF C[C@H]1CCC2=C(C1)c1c(O)cc([C@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C 142003352 LMZMEMKXSLGEMN-ZWKOTPCHSA-N 408.557 7.402 0 1 HKAF O=C(Nc1cccnc1)c1cc(-c2ccco2)nc2ccc(Nc3ccccn3)cc12 150134245 XQQOKGWFWLGQTB-UHFFFAOYSA-N 407.433 5.281 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4Cc5oc(C(=O)c6ccccc6)cc5C[C@@]43C)[C@H]1CC[C@@H]2O 169372432 QQZREEIDGFPMCP-YHTFZOGOSA-N 418.577 5.829 0 1 HKAF Cc1ccc2c(c1)N[C@@H](c1c(F)cccc1Cl)[C@@H]1C(=O)C[C@@H](c3ccco3)CC1=N2 169722033 YXSNYFJSTBVWMJ-VCYFOLNLSA-N 422.887 6.383 0 1 HKAF CN[C@H](C)[C@H]1CC[C@@]2(C)C[C@H]3CC[C@H]4C(=CC3=C[C@]12C)CC[C@@H]1N(C)COC[C@]41C 238736696 CLOHFGOUJBKJFY-RBUUMWEPSA-N 412.662 5.388 0 1 HKAF C/C=C(\CC[C@@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 255231861 MCWVPSBQQXUCTB-JZFCJCNKSA-N 412.702 7.945 0 1 HKAF COc1ccc2[nH]cc([C@H]3CC[C@H](CCN4CCN(c5ccccn5)CC4)CC3)c2c1 261188311 YFHRSRHMFPVJQU-MEMLXQNLSA-N 418.585 5.058 0 1 HKAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cccc(C(C)(C)C)c2[nH]1 586984288 JCJVNXMULZYBJL-SFHVURJKSA-N 414.347 5.043 0 1 HKAF CCCn1cnc2cc(-c3nc4cc(Cl)cc(C)c4[nH]3)cc(Br)c21 587002794 DOHACTOYAWITOZ-UHFFFAOYSA-N 403.711 5.714 0 1 HKAF CCOC(=O)c1cc(Br)c2nc(-c3cc4c(s3)CC[C@H](C)C4)[nH]c2c1 587032833 BIVLEEPJNAIDCT-JTQLQIEISA-N 419.344 5.355 0 1 HKAF Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 587051881 UWONFWDKJWRWQZ-RKDXNWHRSA-N 416.533 6.557 0 1 HKAF Cc1ccc2c3c(cc(-c4cccc(Oc5ncccn5)c4)nc13)-c1ccccc1C2=O 587096169 DYTXKUPLFDHEQB-UHFFFAOYSA-N 415.452 6.004 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1c(O)ccc(Br)c1C3 587102432 SLFRHWJAVJCQAY-UHFFFAOYSA-N 414.258 5.486 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cccc(NC(=O)C4CCC4)c3)nc3cccc1c23 587103426 GVICNFRGIKRGED-UHFFFAOYSA-N 404.469 5.852 0 1 HKAF Cc1cc(Br)cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587132183 MDRTVPQKLYDUTP-IHWYPQMZSA-N 403.148 5.500 0 1 HKAF Nc1nc(-c2ccccc2)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)s1 587208312 PITGEURCVFRSET-UHFFFAOYSA-N 405.482 5.819 0 1 HKAF CCCCCOc1cc2nc(-c3cc(N)cc4ccccc34)[nH]c2cc1Br 587251296 BJSQOMIJWNMBNN-UHFFFAOYSA-N 424.342 6.297 0 1 HKAF C[C@@]1(c2cc(F)c(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331928 KMUSWXJNKMCLBQ-UNMCSNQZSA-N 402.343 5.223 0 1 HKAF Nc1ccccc1[C@@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335475 LUCDQRXUGZWFAR-AZGAKELHSA-N 417.480 5.558 0 1 HKAF C[C@@]1(c2cccc(-n3cccc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337586 BMFGJCIRJYAGFA-AHWVRZQESA-N 413.448 5.596 0 1 HKAF COc1cccc(-c2cc(-c3ccc([S@](C)=O)cc3)nc3c2oc2ccccc23)c1 587365179 JQWRSMGIYWEMBO-PMERELPUSA-N 413.498 6.061 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCSc1ccccn1)(c1ccc(F)cc1)O2 587383900 HJRZVJPLYUZVPA-QHCPKHFHSA-N 408.498 5.154 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1ccc(C(=O)O)c(Cl)c1)[C@@H](C2)C3=O 587422165 XBBQYVQSODMGLY-MBSDFSHPSA-N 420.848 5.203 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCc3ccc(Br)cc31)CC2=O 587457772 MQKRHVSDLFAMBV-OAQYLSRUSA-N 401.300 5.304 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](OC)c1ccccc1)CC2=O 587486353 ZJAJVVLVYMKNBL-UIOOFZCWSA-N 402.490 5.593 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1cccs1)(c1oc3ccccc3c1N)CC2=O 587492169 BERVQFGNYCQEFU-DEOSSOPVSA-N 419.502 5.644 0 1 HKAF Cc1ccc(-n2nc(C)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2Cl)cc1 587503852 ZQORDSBDKIWVAS-NRFANRHFSA-N 406.913 5.728 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)c(Cl)c1 587549098 PXAAGWKAVDGCMI-XLIONFOSSA-N 420.770 5.767 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(Cl)ccc3O)c(C(=O)c3cccc(C)c3)c2c1 587641206 LEIZWQQCPWBPHZ-MRXNPFEDSA-N 417.936 7.247 0 1 HKAF CC(C)(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1Cc1ccccc1Br 587648223 AASPYJSEOZWOTC-UHFFFAOYSA-N 420.372 5.222 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)cccc2Cl)N1 587691603 GYWBPOYEFZZFCF-XLFHBGCDSA-N 403.122 5.693 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ccnc(Cl)c3c2)N1 587704934 LIFCYWLYWRAOKM-XTZNXHDOSA-N 405.698 5.413 0 1 HKAF COc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 587829432 QZVSJBYQQXEJKC-QKVFXAPYSA-N 416.290 5.480 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccc(O)cc2)N1 587834543 SDWQBKSEMRUIFT-XMHCIUCPSA-N 412.302 5.584 0 1 HKAF CC(C)CSc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587841484 BCZOPKVLIJFHDD-RNODOKPDSA-N 408.380 5.960 0 1 HKAF CCCCCOc1cc2nc(Cc3cccc(OC)c3)[nH]c2cc1Br 587933192 YSRJMCYYXJOLGY-UHFFFAOYSA-N 403.320 5.494 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@H]1c1ccc2cccnc2c1 961781410 KBNIPTYWPOYPOB-DEOSSOPVSA-N 415.537 5.476 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2[C@@H]2NCCc3cccc(-c4ccccc4)c32)cc1 962672920 VGJMYIAEPOPEDC-GDLZYMKVSA-N 418.515 6.876 0 1 HKAF CCCCCCc1ccc([C@@]2(c3ccc(Cl)nc3)NCCc3ccc(O)cc32)cc1 963344141 ZEDZAKVWJLEMTL-SANMLTNESA-N 420.984 6.001 0 1 HKAF CC[C@@](O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1cc(C)no1 1772628199 OJDAGVRVDHLHFS-JOCHJYFZSA-N 413.304 6.151 0 1 HKAF Fc1ccc(Cn2cc(C3=C(Cl)c4ccc(-c5cccs5)nc4CC3)nn2)cc1 1857595778 TXKYVNFFTBFAKK-UHFFFAOYSA-N 422.916 5.642 0 1 HKAF COC1(O[C@H]2CC[C@@H]3[C@@H]4CC[C@H]5C[C@H]6S[C@H]6C[C@]5(C)[C@H]4CC[C@]23C)CCCC1 2356331423 IVDYZAAPOLNZKG-HHYTZPJBSA-N 404.660 6.425 0 1 HKAF CC(C)CC=C[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356399011 KEMRDWDNECVERP-JNYJZVOVSA-N 400.647 6.136 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C)C(C)C 2356458976 XHRPJMCAEXVFFM-VDKLEMCMSA-N 410.686 8.153 0 1 HKAF CC(=O)O[C@@H]1CC[C@]2(C)C(=CCC3=C2CC[C@]2(C)[C@@H]3CC[C@H]2[C@H](C)CCC=C(C)C)C1 2356614739 GCWLDSVUECWZIA-HKJQVWDGSA-N 424.669 7.944 0 1 HKAF CC(=O)Oc1cc(C)c(OC(C)=O)c(CC=C(C)CCC[C@H](C)CCCC(C)C)c1 2356804741 UYZSQPHPJZLZMD-LJQANCHMSA-N 416.602 6.967 0 1 HKAF O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc2nnsc2c1 1042844 BITXIWOVETWPHK-UHFFFAOYSA-N 406.311 5.373 0 1 HKAF CCc1nc2c(-c3ccc(OC)nc3C(F)(F)F)ccnc2n1[C@H](C)C1CCC1 13487161 NZSGOJHLBNPHQM-GFCCVEGCSA-N 404.436 5.444 0 1 HKAF COc1ccc([C@@H]2Oc3ccc(F)cc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)cc1 13777161 KVTIALKVENTGTL-VWLOTQADSA-N 401.481 6.591 0 1 HKAF Nc1noc2cccc(-c3ccc(NC(=O)/C=C/c4cccc(C(F)(F)F)c4)cc3)c12 14975339 PYKWUFWGJLDSGF-KPKJPENVSA-N 423.394 5.748 0 1 HKAF CCCC[C@@H](CC)C(=O)Nc1ccc2ccn(Cc3cccc(C(=O)O)c3OC)c2c1 26492878 VHEVDFRKPVZSAN-QGZVFWFLSA-N 422.525 5.551 0 1 HKAF COc1cc2c(cc1C(=O)c1ccc3cc(C(=O)O)ccc3c1)C(C)(C)CCC2(C)C 26721478 HAILJWHAXKJRFP-UHFFFAOYSA-N 416.517 6.127 0 1 HKAF COc1ccccc1-c1[nH]c2ccccc2c1CC(=O)N(Cc1ccncc1)C(C)C 27982291 YNFYLZQERVSRSE-UHFFFAOYSA-N 413.521 5.218 0 1 HKAF FC(F)(F)c1cnc(Nc2ccc3[nH]cnc3c2)nc1Nc1ccc(Cl)cc1 28523725 ZMDGXHLKGZACRZ-UHFFFAOYSA-N 404.783 5.512 0 1 HKAF CCCNC(=O)C1CCN([C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 45231206 VBCJXUGGEYFONR-NRFANRHFSA-N 405.369 5.321 0 1 HKAF CC(=O)N[C@H](C)c1ccc(-c2ccc(Oc3cccc(Oc4ccccc4)c3)cc2)cc1 45323192 DHWLHEZSZUAUCO-HXUWFJFHSA-N 423.512 7.135 0 1 HKAF C[C@H](/C=C/c1cc[n+](C)cc1)[C@H]1CC[C@@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 45340243 SBHBRINKBITFAZ-FLSDVYGQSA-N 420.661 6.100 0 1 HKAF Cc1cn([C@H](C)C2CC2)c(=O)c(Nc2c(Cl)cc(OC(F)F)cc2Cl)n1 49045471 FDNMTKODOHQUSO-SECBINFHSA-N 404.244 5.175 0 1 HKAF CCOC(=O)c1ccoc1-c1ccc2ncnc(N(C)Cc3sccc3C)c2c1 64622023 LNNZGXLGMISMPQ-UHFFFAOYSA-N 407.495 5.073 0 1 HKAF CC1(C)C=Cc2cc([C@@H](c3ccccc3)n3cnc4cc(Cl)ccc43)ccc2O1 72178124 JGFJXNFYKXZXGK-XMMPIXPASA-N 400.909 6.512 0 1 HKAF CCCCCc1nc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccccc2)oc1C 82162984 ZTRAPXGJPCQFCL-OALUTQOASA-N 418.585 6.322 0 1 HKAF CC1CCC(NCc2ccc3c(c2)CC2=C(c4cccc(CC(=O)O)c4)N=N[C@@H]23)CC1 87612917 NDESURPQRZDJER-RHGVPMLBSA-N 415.537 5.456 0 1 HKAF Fc1ccc([C@H]2[C@@H]3CC[C@H](C[C@H]2c2ccc(F)cc2)N3CCCc2ccccc2)cc1 87634383 HMCBNLGRMGUNCH-WXIAYYLYSA-N 417.543 6.702 0 1 HKAF Nc1nccn2c(C3CCC3)nc(-c3cc(F)c(Oc4ccccc4)c(Cl)c3)c12 96168337 KMECZUCJFNSKSI-UHFFFAOYSA-N 408.864 5.831 0 1 HKAF Cc1ccc([C@@H]2C3=C(O)CCCC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 103939790 YGSOMTCDVAQUQP-AREMUKBSSA-N 408.501 6.465 0 1 HKAF O=C(O)/C=C/c1ccc(/C(=C(/CCF)c2ccccc2)c2ccc3[nH]ncc3c2)cc1 114545622 BXUTVAITDFOFDR-LDPXRHKHSA-N 412.464 5.979 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]34C)[C@@H]1CCC2=O 169314953 FXJBFSBELBAUFO-SIPATNOISA-N 413.565 5.409 0 1 HKAF Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(CC3CC3)[nH]2)c(C)c1 218558822 RAEJYDONFHPRIQ-UHFFFAOYSA-N 419.525 5.198 0 1 HKAF COc1cc(CCc2ccccc2)c(C(=O)O)c(O)c1CC[C@H](C)CCC=C(C)C 238782024 BGYWMHFOMULQIA-LJQANCHMSA-N 410.554 6.199 0 1 HKAF C[C@H](CCCO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@@]45C[C@@]35CC[C@]12C 255221718 JSNPIABEUZFKHK-SZBSFUFNSA-N 402.663 6.195 0 1 HKAF C[C@@H]1C[C@H]1c1cc(NC(=O)Nc2ccc(C(F)(F)F)cc2)n(CC(F)(F)F)n1 299829172 TZRXUBZFLCGBEA-BXKDBHETSA-N 406.330 5.232 0 1 HKAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 586892858 XKZNZVXEBSRUAD-VLIAUNLRSA-N 417.347 5.506 0 1 HKAF O=Cc1ccc(OCc2occc2-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 586901702 YIYMPJJQKJSBIT-UHFFFAOYSA-N 404.319 5.372 0 1 HKAF CCCCc1cc(=O)oc2cc(OCc3nc4ccc(C(C)(C)C)nc4[nH]3)ccc12 586918528 NPKFZFHXTUVMQA-UHFFFAOYSA-N 405.498 5.283 0 1 HKAF CC(=O)c1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c1 586999285 YFRLQHJKPQLJSP-UHFFFAOYSA-N 421.294 5.774 0 1 HKAF COc1cc(-c2nc3cccc(Br)c3[nH]2)cc(Cl)c1OCC(C)C 587044455 BRECSLCBZLVJBP-UHFFFAOYSA-N 409.711 5.689 0 1 HKAF COc1cc(/C=C/c2nc3ccc4nc(C)ccc4c3[nH]2)cc(Cl)c1OCC(C)C 587047053 SHKYUOQSASVFEQ-UXBLZVDNSA-N 421.928 6.287 0 1 HKAF O=c1ccc(-c2nc3ccc(F)c(F)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587055453 KGSTXEHIRNFFBY-UHFFFAOYSA-N 406.219 5.025 0 1 HKAF Clc1ccccc1OCc1ccc(-c2nc3cc(Br)ccc3[nH]2)o1 587064202 FACBKHSFXWPGFS-UHFFFAOYSA-N 403.663 5.818 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@@](F)(Cl)C(F)(F)F)[nH]c3c2)cc1 587090830 ZCDJWHLTSZECHS-INIZCTEOSA-N 402.731 5.065 0 1 HKAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 587093502 NWTGNHAOEAEAAQ-UHFFFAOYSA-N 400.109 5.969 0 1 HKAF Fc1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1Br 587116215 UNAUDHVGAPZALZ-UHFFFAOYSA-N 411.156 5.094 0 1 HKAF Cc1ccc2c(ccc3nc([C@H](Oc4ccc(F)c(F)c4)c4ccccc4)[nH]c32)n1 587151587 RYDJNVCKPNCPMF-HSZRJFAPSA-N 401.416 5.866 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(C(F)(F)F)cnc3[nH]2)c(Cl)c1 587158088 DPKNGLVOQNPDTH-KRWDZBQOSA-N 421.781 5.938 0 1 HKAF C[C@]1(c2ccc(F)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337114 RCEQAGOPUGSONA-AOYPEHQESA-N 416.423 6.098 0 1 HKAF Cc1cccc2c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c[nH]c12 587343869 DTFNBAOUJLIYDL-WIOPSUGQSA-N 401.437 5.595 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCc3c2[nH]c2ccccc32)[C@@H]1c1ccc(F)cc1 587346869 NURCITAMRXFTHN-ZEQKJWHPSA-N 413.448 5.603 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](C2)C3=O 587422820 UWHPAAUDOHAURS-KSSFIOAISA-N 416.317 5.396 0 1 HKAF COCCCC[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587424028 WKMAGCWDMMGSDC-GCJKJVERSA-N 420.427 5.174 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccccc3)cc1F)CC2=O 587465973 ILJZIEJLVAPEKT-XMMPIXPASA-N 406.453 5.769 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(-c4ccc(F)cc4)sc31)CC2=O 587470740 HTIBHHVKLNDPDJ-DEOSSOPVSA-N 423.509 5.804 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(c1ccccc1OC)CC2=O 587477658 HYXSAOLJKZSRPT-AREMUKBSSA-N 418.489 5.271 0 1 HKAF O=C1C[C@@H](c2ccc(-c3cccc(Br)c3)o2)Oc2c1ccc1c2CCCC1 587495619 DLEQGQLHKJGZGE-QFIPXVFZSA-N 423.306 6.294 0 1 HKAF COc1cc(Br)ccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587501463 ITMYKXZYBVLOOT-OAQYLSRUSA-N 401.300 5.217 0 1 HKAF CCOC(=O)[C@H](C(C)C)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587525713 RKFAOFIZEYRLRQ-OZXSUGGESA-N 406.522 5.261 0 1 HKAF Cc1ccc([C@]2(c3[nH]c4ccccc4c3N)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526730 RBZAFXKARNJCOP-NDEPHWFRSA-N 422.528 5.846 0 1 HKAF Cc1cccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 587602563 JZRNGCIIGRHXSG-IGKIAQTJSA-N 408.453 6.071 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@@H]1C[C@@H]2C=C[C@H]1C2 587602885 LNJOSQBMMGNXLV-JKKSIRHSSA-N 410.469 5.462 0 1 HKAF Cc1ccc(C[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587603947 SMPVRQROMUHPBE-LBNVMWSVSA-N 422.480 5.800 0 1 HKAF O=c1c2cc(Cl)ccc2cnn1-c1c(Cl)cc(Br)cc1Cl 587651760 YNNUIYDDXFHCPZ-UHFFFAOYSA-N 404.478 5.108 0 1 HKAF O=C(c1csc2ccccc12)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662200 XBKBONRSNRSJKQ-UHFFFAOYSA-N 400.434 5.106 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H]2c2ccccc2Cl)N1 587697166 MSVKDDZAYHTXKJ-RAJNIJHNSA-N 408.742 5.939 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccccc3)[nH]c2Cl)N1 587698612 PCJSVXZRHTXDPH-QFYYESIMSA-N 420.713 5.255 0 1 HKAF CC(C)[C@]1(CC(=O)Nc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587741167 GDVKKISGUTXIRH-SZNDQCEHSA-N 419.338 5.003 0 1 HKAF Cc1cccc(C)c1-n1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587756195 RIQIUVSKXRQTQW-YCRPNKLZSA-N 413.334 5.619 0 1 HKAF COc1cncc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 587783897 IOYKIBOYXXKTMU-UHFFFAOYSA-N 421.500 5.803 0 1 HKAF CCCCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587797010 VAAJMSROSNBEKB-LRTDBIEQSA-N 422.338 5.399 0 1 HKAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)(C)C 587807848 OBRSFOIWRTVYIM-FKIZINRSSA-N 406.339 5.518 0 1 HKAF CC(C)=CCC/C(C)=C/C=C/[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587815548 NOKRVVAWDNOTSJ-NTPKABPBSA-N 406.383 6.587 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CCc4ccccc43)CC2)N1 587817369 KVXSFQIFPATNQM-CGDGTSQQSA-N 414.362 5.776 0 1 HKAF CC(C)[C@@]1(c2cc3ccccc3o2)N[C@H](C)Cc2cc(Br)c(F)cc21 587830686 UBLGZLTVTBEONR-LRTDBIEQSA-N 402.307 5.768 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cscc2Br)N1 587856251 XBJHWXDFKWQIOQ-JKYUHCHBSA-N 405.130 5.036 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(Br)c(C)n1 587860988 IGHOBSCTJSPNAO-UHFFFAOYSA-N 412.209 5.033 0 1 HKAF COc1ccccc1N1CCN(CCCCCOc2ccc3ccccc3c2)CC1 653707384 ATMVGYLFYGIYDI-UHFFFAOYSA-N 404.554 5.220 0 1 HKAF COc1cc2c(cc1OC)[C@H](c1cc(C)c(Br)c(C)c1)N(C)[C@@H](C)C2 962641406 SEJODRMKMSMQIV-QKKBWIMNSA-N 404.348 5.049 0 1 HKAF CN1C(=O)C[C@H]2CN[C@H](c3ccc(-c4cccc(Cl)c4Cl)o3)c3cccc1c32 963020299 FIBHIUUKNOYKTA-YTEVENLXSA-N 413.304 5.396 0 1 HKAF CCCc1ccc([C@]2(c3cccc(C)n3)NCCc3cc4cccc(OC)c4nc32)cc1 963044842 DVVXETUBEDYFRD-MUUNZHRXSA-N 423.560 5.337 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cccc(OC)c1OCc1ccccc1C 963244904 XUBRGQGJTMOALX-IDISGSTGSA-N 415.577 6.329 0 1 HKAF CCOc1ccccc1-c1cc(Cl)cc([C@@H](CC(=O)O)c2ncc(C)s2)c1 1772603555 VLEFNGKBXNDVHQ-GOSISDBHSA-N 401.915 5.777 0 1 HKAF Clc1cc(Cl)cc(CN[C@@H]2CCCCN(c3nc4ccc(Cl)nc4[nH]3)C2)c1 1772644893 HUYBQYUGYRDAGP-OAHLLOKOSA-N 424.763 5.067 0 1 HKAF CN(C(=O)[C@H]1CCCN(C(=O)c2cccc(-c3ccco3)c2)C1)c1ccc(Cl)cc1 1772654944 NAFNEPPYASMXFQ-IBGZPJMESA-N 422.912 5.115 0 1 HKAF O=C(Nc1cc(Br)cc(Br)c1)Nc1ccc2cc[nH]c2c1 1857614016 CCGINDHVIQZXMO-UHFFFAOYSA-N 409.081 5.337 0 1 HKAF CCc1cccc(NC(=O)c2cccc(/C=C3\CC(=O)N(c4ccc(C)cc4)C3=O)c2)c1 1857621338 ULDCPTNKQFGJSH-PXLXIMEGSA-N 424.500 5.157 0 1 HKAF CC(=O)N1CCC[C@H]1COCCCCCC/C=C/c1ccc(Oc2ccccc2)cc1 1857639895 WCZFSJREPKEYDJ-FRHHVXPKSA-N 421.581 6.470 0 1 HKAF CC(C)=C(C)CC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@H]1C(=O)O3 2356411042 XBLCKYCBDPEWDW-FVZWOVKBSA-N 414.630 6.564 0 1 HKAF CC(C)[C@H](O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356630260 IWXJGKGAPXGSCN-OSFLOOFPSA-N 418.662 5.330 0 1 HKAF CC(C)=CC(=O)O[C@@H]1C=C2C(=O)O[C@H](c3ccoc3)C[C@@H]2[C@]2(C)CCCC(C)(C)[C@@H]12 2356660258 CSCPSRSJYZJSKL-QVHNFRKASA-N 412.526 5.534 0 1 HKAF CCc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccoc2)cc1 773780 ZQLONXZVGYTYIN-UHFFFAOYSA-N 404.441 5.276 0 1 HKAF CCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(C(C)=O)=CC[C@H]32)C1 5645624 XWPFMVUGKIJWQK-MZQOELJCSA-N 414.630 6.647 0 1 HKAF biogenic CCCCNC(=O)Nc1nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2s1 13534023 HBPMXCDREHTURR-UHFFFAOYSA-N 410.543 5.395 0 1 HKAF COc1ccccc1-c1cn2c(-c3c(Cl)cccc3Cl)c(CN)c(C)nc2n1 34636154 MNHKEFANVUMARF-UHFFFAOYSA-N 413.308 5.146 0 1 HKAF O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1nscc1NCc1ccncc1 40913815 LAUCIMWNCKMKNY-UHFFFAOYSA-N 412.824 5.075 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3N 58506656 MUNYFYVFFYKFPN-NXYNWFJESA-N 403.695 6.406 0 1 HKAF COc1ccccc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(O)cc1 58548299 LPUQWNJVLYEPBX-XPNTWCBSSA-N 422.481 5.246 0 1 HKAF CCCCCOc1ccc([C@@]2(c3ccc(O)cc3)C(=O)Nc3c2ccc(F)c3F)cc1 64548505 ZYEKFDSHKXNOKG-RUZDIDTESA-N 423.459 5.526 0 1 HKAF O=C(Nc1ccccc1)NC1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72102838 IESRXEZTNSYEPR-HSZRJFAPSA-N 420.944 5.111 0 1 HKAF COc1ccccc1-c1c(C(=O)O)n(Cc2ccccc2F)c2ccc(Cl)cc12 72180182 WUXZQCIMYJKAHD-UHFFFAOYSA-N 409.844 5.856 0 1 HKAF CC(C)CN(CC(C)C)C(=O)c1cnc(NCC2CCCCC2)nc1-c1ccco1 82142876 LHQLPFQRXJMDCG-UHFFFAOYSA-N 412.578 5.483 0 1 HKAF CCN(C)c1ncc(-c2nc(C)c(C)s2)c(-c2ccc(-c3ccccc3)cc2)n1 82177030 TWYNNIOBOAIZQD-UHFFFAOYSA-N 400.551 6.007 0 1 HKAF Fc1ccc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c3ccccc3n2)cc1 84653984 FTGHOXZHLDZKID-UHFFFAOYSA-N 408.263 6.891 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC(=O)[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]13C 86030083 MQILTVJSXIHHGW-PIYNEDQISA-N 424.713 8.521 0 1 HKAF in-man Oc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(O)cc3Cl)s2)c(Cl)c1 95592886 POLKCEIJBMMAFV-UHFFFAOYSA-N 413.325 7.467 0 1 HKAF O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2cccc(-c3cccs3)c2)C1 96272157 WXBQPCKIPAMLGX-GOSISDBHSA-N 424.953 5.559 0 1 HKAF CCc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC2CCCC2)cc1 100703832 XWZCVRFLQDMYNB-QHCPKHFHSA-N 407.554 6.179 0 1 HKAF Clc1ccc([C@@H](OC2C[C@H]3CC[C@H](C2)N3Cc2ccccc2)c2ccccc2)cc1 100872672 BRCNZPLXMLLSIC-SLQPCKNISA-N 417.980 6.642 0 1 HKAF O=C(CC12CC3CC(CC(C3)C1)C2)N[C@H]1CC[C@H](OCc2c(F)cccc2F)CC1 101114763 CQQVNVUNYDRHDE-PIOWIHMMSA-N 417.540 5.515 0 1 HKAF Cc1ccc2c(N[C@H]3c4ccc(F)c(O)c4[C@H](C)C[C@]3(O)C(F)(F)F)cccc2n1 115690219 ZMTPDHABBWHKPP-FAORDRHVSA-N 420.406 5.342 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CCC(C)(C)O2 118924106 JSDSJUPEGNNVNX-SIQVBDLFSA-N 400.647 6.966 0 1 HKAF CC(C)c1cccc2c1CCC[C@]21CNC[C@H]1C(=O)N1CCC(c2ccccc2)CC1 142029115 DERYPBXLNDLVEK-XCZPVHLTSA-N 416.609 5.010 0 1 HKAF COc1ccc([C@]2(O)/C(=C/c3ccccc3)CCC[C@H]2CN(C)c2ccccc2)cc1 169301551 NYKSSJDPEPIBPK-PXYYQHIMSA-N 413.561 5.903 0 1 HKAF CC(C)c1ccc(NC(=O)[C@@H](CC(=O)c2ccc(C(C)C)cc2)n2ccnc2)cc1 169333763 WSOREAIXILTVLC-HSZRJFAPSA-N 403.526 5.583 0 1 HKAF Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCCCCCO)c3)o2)cc1 169353051 HYPGIWBOMOOAFH-UHFFFAOYSA-N 407.514 5.374 0 1 HKAF Cc1ccc([C@H](CC(=O)O)CC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 217071796 WOTDIFKPTDYJBL-SFHVURJKSA-N 423.896 6.028 0 1 HKAF C[C@@H]1[C@@H]2C3=CC=C4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC[C@H]1C 223645528 AWUHBUKNSPYYTJ-YRCFQXRNSA-N 422.697 8.153 0 1 HKAF CC1=C2C[C@H]3[C@H](CC=C4C[C@@H](O)CC[C@]43C)[C@H]2CC[C@@]12O[C@H]1C[C@H](C)CN[C@@H]1[C@H]2C 238735379 QASFUMOKHFSJGL-XHARKHIYSA-N 411.630 5.002 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255197363 AWYDNKRGSOPYQB-SAXQHSGBSA-N 400.691 7.779 0 1 HKAF CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccsc1)c1ccc(-c2ccccc2)cc1 299855652 BDUNJXZLFYAAGX-URPHZZJISA-N 418.606 5.925 0 1 HKAF COc1cc(NC(=O)CCCCCCCOc2cccc(Br)c2)ccn1 299862020 JANJFZBVVFMROM-UHFFFAOYSA-N 421.335 5.211 0 1 HKAF CCOC(=O)c1sc(Nc2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 299862953 KJDFKWJLPZYKPL-UHFFFAOYSA-N 400.503 6.397 0 1 HKAF Nc1cnc(-c2ccc(F)cc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)c1 473154779 LRJOYOBUWBPJHF-UHFFFAOYSA-N 421.475 6.264 0 1 HKAF CC(=O)c1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2)cc1 586881485 XBWKDHZIYRZGQN-UHFFFAOYSA-N 414.814 6.772 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1c(Cl)cc(Cl)cc1C4)-c1ccccc1C2=O 586994017 UKOZVIBFZHHHAQ-UHFFFAOYSA-N 402.280 6.633 0 1 HKAF COc1cc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2cc1F 587021158 KCFNVPDPKRBOSS-UHFFFAOYSA-N 417.469 5.640 0 1 HKAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587043100 OHTIDIXRWRCPCN-CQSZACIVSA-N 415.799 5.030 0 1 HKAF Clc1ccc(-n2cccc2)cc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587052460 BJRXQMVZYZKZPL-UHFFFAOYSA-N 401.922 6.825 0 1 HKAF Clc1cc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c(Cl)n1 587063232 JOXQXVRNQXJGFY-UHFFFAOYSA-N 404.684 6.164 0 1 HKAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cc(F)c(Br)cc2[nH]1 587076777 NXQHPFCAMHVVTN-UHFFFAOYSA-N 418.653 5.553 0 1 HKAF Cc1ccc(Br)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587102434 SMOYBJNCDKMEJK-UHFFFAOYSA-N 400.275 6.184 0 1 HKAF Cc1nc2cccc3c2c(c1Cc1cccc(C(F)(F)F)c1)-c1ccccc1C3=O 587103231 IUIIMBMRXODPTG-UHFFFAOYSA-N 403.403 6.364 0 1 HKAF CCCCC[C@H]1c2nc3cccc4c3c(c2C[C@@H]1CC(=O)OC)-c1ccccc1C4=O 587106216 HEPDMCFZLXUVHV-IAGOWNOFSA-N 413.517 5.846 0 1 HKAF Fc1ccc(-c2ccccc2-c2nc3cc(Br)c(F)cc3[nH]2)cc1F 587145108 HTJPNYDMGUOUOA-UHFFFAOYSA-N 403.201 6.077 0 1 HKAF Clc1cc(I)cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 587182944 QRQIGBSBHCTJLV-UHFFFAOYSA-N 423.468 5.795 0 1 HKAF CCCCOc1cc2nc([C@@H](C)c3ccc(N(C)C)cc3)[nH]c2cc1Br 587197051 HKIQDBIOONAPQY-AWEZNQCLSA-N 416.363 5.722 0 1 HKAF CC(C)(C)c1ccc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c2c1 587258302 FYPCNNBTBXUQCX-FQEVSTJZSA-N 400.526 5.432 0 1 HKAF N[C@@H](Cc1nc2cc(Br)cc(Cl)c2[nH]1)c1cccc2ccccc12 587259552 VLFQWZYQXZMCMC-INIZCTEOSA-N 400.707 5.375 0 1 HKAF C[C@@]1(c2cccc(-n3cccc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337589 BMFGJCIRJYAGFA-RSXGOPAZSA-N 413.448 5.596 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CC=C(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)cc1 587341026 ZULFDLFAFLRCHU-AHWVRZQESA-N 418.439 6.036 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2C2=CCCCC2)[C@@H]1c1ccc(F)cc1 587355835 WSBSVVBCBZYKMH-FBILRYNDSA-N 406.497 6.320 0 1 HKAF COc1cccc(-c2cc(/C=C/c3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 587358182 PZQJWACKPFEAOX-SDNWHVSQSA-N 411.888 7.480 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC13C[C@H]4C[C@@H](CC(Br)(C4)C1)C3)O2 587372903 NNRFKBJAPNUHSC-JSRVBOTDSA-N 418.375 5.425 0 1 HKAF CCN(C[C@@]1(Cc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1)c1ccccc1C 587387704 SGHMJOSUFACBBU-HHHXNRCGSA-N 414.549 5.359 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2c(C)coc2-c2ccc3c(C)cccc3c21 587411883 LJBCJGFBJGKCQU-HHHXNRCGSA-N 423.468 5.664 0 1 HKAF CCCCC[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418638 AGSHGPVTWIHGNX-GCJKJVERSA-N 420.427 5.817 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC(C)C)(c1cccc(C(F)(F)F)c1)CC2=O 587464027 GTCVFVYTOMUDQE-QFIPXVFZSA-N 406.444 6.270 0 1 HKAF O=C1C[C@@](c2ccccc2)(c2coc3ccc(O)cc23)Oc2c1ccc1c2CCCC1 587531838 IAXHFTOBGNSUOQ-HHHXNRCGSA-N 410.469 5.926 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CF)c1ccc(C(F)(F)F)cc1 587550184 UFIQPDKGEDHFOA-RXVVDRJESA-N 418.342 5.238 0 1 HKAF CC(C)[C@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601966 VZYRDJPWIYMJCF-WNCULLNHSA-N 416.517 6.203 0 1 HKAF Cc1cc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)ccc1O 587608978 NPVMMNOFTKJTAO-RPLLCQBOSA-N 424.452 5.776 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1ccc(O)cc1 587608998 NQPVJPNSNZKLFJ-JYFHCDHNSA-N 410.425 5.468 0 1 HKAF CC(C)(O)CCCC1=CC[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587612412 UYSVOSKXDCJWBS-PZGSVQSZSA-N 422.521 5.390 0 1 HKAF C[C@]1(c2cc3c(ccc4ccccc43)o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619797 ZIGQDRDQCNNVOZ-RPLLCQBOSA-N 422.436 6.169 0 1 HKAF C[C@@H]1CSc2ccc(Cl)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587620596 ZVAOLAKGTJSMFI-ZGIXAACCSA-N 424.905 5.645 0 1 HKAF Nc1ccccc1-c1[nH]c2cc(Cl)c(F)cc2c1CN1C(=O)c2ccccc2C1=O 587631904 LMQUMWHJFYPGHT-UHFFFAOYSA-N 419.843 5.006 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](Cc2cccc(Br)c2)N1 587675939 BQWMCEWWXFYNQD-BONVTDFDSA-N 413.128 5.169 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cc(F)c(Cl)c2F)N1 587720812 OERPEHHREVOZPH-KXHHVGMCSA-N 408.620 5.283 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)(F)F)c(F)c2)N1 587723233 WABYFOMRUBHWJD-PWJLMRLQSA-N 422.191 5.250 0 1 HKAF Oc1ccc(OCc2ccccc2)cc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587782459 KWALADZHPRGXTJ-UHFFFAOYSA-N 408.457 6.307 0 1 HKAF CCCOc1c(C)cc(C)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587791392 IBDIVRCYKKTFPD-JLTOFOAXSA-N 406.339 5.617 0 1 HKAF CCCCCOc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587795134 QSXXBNCXTISSPR-OYHNWAKOSA-N 420.366 5.955 0 1 HKAF CCOc1ccc(C(C)C)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587801341 KKWXDQWWQBMHTG-ASSNKEHSSA-N 406.339 5.734 0 1 HKAF COc1cc2ccccc2cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587805696 FWEVWEGIWYDEJP-QKVFXAPYSA-N 400.291 5.374 0 1 HKAF Cc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587815427 MRPZWRPTTDJCCV-XDHUDOTRSA-N 424.357 6.031 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@](C)(c3ccccc3)CC2)N1 587819846 WVQPQMZUQQPALB-KBJGYGKASA-N 400.335 5.626 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C2(O)CCCCC2)N1 587821268 GYDUQKVZDNSPEK-IVZQSRNASA-N 418.350 5.061 0 1 HKAF CC[C@]1(C)C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2O1 587835930 XTTRAABTAILNTR-PZVFOTJXSA-N 404.323 5.317 0 1 HKAF Cc1ccc(SC(C)(C)[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587842383 UXADDMUGUUCNLH-ORAYPTAESA-N 408.380 6.043 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1nccs1 587852950 JSMIIYWLDHBPQI-XTZNXHDOSA-N 420.351 5.076 0 1 HKAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c2)c1 587930568 DFSXSKXEOFUNFY-UHFFFAOYSA-N 420.468 5.842 0 1 HKAF COC(=O)c1cc(F)cc(-c2cccc([C@@]3(C)NCCc4ccc(F)c(C)c43)c2)c1 962379712 VTBUBSKXOVJQDP-RUZDIDTESA-N 407.460 5.136 0 1 HKAF COc1ccc2c(c1OC)[C@](c1ccccc1)(c1cncc3ccccc13)N(C)[C@@H](C)C2 962625352 NBYXUFQKPMFSJB-VKGTZQKMSA-N 424.544 5.420 0 1 HKAF CC(C)(C)OC(=O)N[C@H]1CC[C@H](C[C@H]2c3ccc(F)cc3C[C@H]3CCCN23)CC1 963102132 KGCDABSGZICYMM-ZEFBCVDJSA-N 402.554 5.361 0 1 HKAF CCCc1c(C(=O)O)cccc1-c1cccc(Nc2nccc(C(F)(F)F)n2)c1 1772589976 CTLOBKKFYKEHKH-UHFFFAOYSA-N 401.388 5.557 0 1 HKAF CCOC(=O)Cc1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc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c4ccoc4)[C@](C)(O)CC[C@H]32)OC1=O 2356848761 PIHBWQGVQVWLPT-HVOHYFNXSA-N 400.559 5.448 0 1 HKAF O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)C1CCCCCC1 199852907 IIWZJZLNNDCNKN-UHFFFAOYSA-N 404.432 5.867 0 3 HKAF CC(C)(C)c1ccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)cc1 4392975 IOHXXLQQJOJOLB-WXJBELMVSA-N 418.621 6.520 0 1 HKAF CCCC[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@H]13 13586856 YLFVOHQBMMEFKC-ADOCTWKDSA-N 414.549 5.409 0 1 HKAF CCc1cc(OCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2ccc(C)cc2n1 13728683 NSBFSHVJCVCVDT-UHFFFAOYSA-N 421.504 5.532 0 1 HKAF C(=C/c1ccccc1)\CN1CCN(CCN(Cc2ccccc2)c2ccccc2)CC1 22925685 PQUSJGFLYJZNNR-XNTDXEJSSA-N 411.593 5.024 0 1 HKAF Cc1ccc([S@](=O)(=NC(=O)Nc2ccc(Cl)cc2)NCc2ccccc2)cc1 25975638 OZIJAWADZSPLGJ-MUUNZHRXSA-N 413.930 5.412 0 1 HKAF CC(C)=CCc1c(O)c([C@@H](O)CC(C)C)c(O)c2c(-c3ccccc3)cc(=O)oc12 28526357 JPWHZIBGIUZCIG-IBGZPJMESA-N 408.494 5.459 0 1 HKAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc(C)cc(Cl)c1)C(F)(F)F 28862497 UKKKPJSCGQJZAT-FQEVSTJZSA-N 418.858 6.000 0 1 HKAF CCCCCCN(C=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 36189717 GMEAODWEIDSCAS-MPVWJQJBSA-N 416.650 5.257 0 1 HKAF Cc1cc(OCc2cccc(Cl)c2)cc(N(C)C(=O)Cc2c(F)cccc2F)c1 36352030 RATYBSYTTXELSZ-UHFFFAOYSA-N 415.867 5.711 0 1 HKAF Nc1nc(-c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)cc(-c2cccnc2)n1 40938507 SMRIPPWKDRQNIO-UHFFFAOYSA-N 424.895 5.733 0 1 HKAF CCCCCCNC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1 45374004 AKRORENOIVFMNC-UHFFFAOYSA-N 409.313 5.914 0 1 HKAF COc1ccc(/N=N/c2ccc(NCCCN3CCCCC3)c3c2CCCC3)cc1 59704063 GPPRAUMLHALKFE-BYYHNAKLSA-N 406.574 6.277 0 1 HKAF CC(C)C(=O)OCCc1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O 66100085 FZJZQFIBJFEMFQ-UHFFFAOYSA-N 404.293 5.244 0 1 HKAF CC(C)C[C@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@]2(C)C=C[C@H](C(C)C)C[C@]12C 70454444 SHCCLCKVNNGCHS-QJHAQPDASA-N 400.515 5.242 0 1 HKAF biogenic,in-vitro CC(C)c1ccc(-c2ccc3nnc(-c4ccc(OCCCN(C)C)cc4)n3c2)cc1 82081870 UAVUMYRNWJSOSG-UHFFFAOYSA-N 414.553 5.517 0 1 HKAF Cc1cc(-c2ccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)ccn1 103290221 KNUCAIOJOAOGJE-UHFFFAOYSA-N 424.344 6.347 0 1 HKAF Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(C4CCNCC4)cc3)cc12 114711412 XAXSQUSHSMQZLJ-UHFFFAOYSA-N 422.598 5.631 0 1 HKAF O[C@@H](c1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1)C1CCCC1 116277225 LJPGFWXYBPREBX-RUZDIDTESA-N 402.925 6.545 0 1 HKAF CCn1c2ccccc2c2cc(NC(=O)CCC(=O)Nc3ccc(C#N)cc3)ccc21 150141381 JPMOPOSAUITKLK-UHFFFAOYSA-N 410.477 5.043 0 1 HKAF COc1cc(OC)c2c(C)nc(C)cc2c1-c1c(C)cc(OC)c2c(OC)cccc12 238745296 QBSXCHJZQYRZJD-UHFFFAOYSA-N 417.505 6.015 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1C/C=C/[C@@H]2CC[C@H]3C[C@H](O)CC[C@]3(C)/C2=C/C[C@@H]1C)C(C)C 238757672 HKYYLANUJNZBFK-ALKTZWCPSA-N 414.718 8.191 0 1 HKAF CC(C)=CCC/C=C(\C)Cc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O 238776096 JKLKEFNYCCESHZ-YLLUOSTHSA-N 408.494 5.745 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@@H]1CC3 253698648 RFSQQROZMSPZKI-UCXGEGDMSA-N 400.691 7.779 0 1 HKAF Clc1ccc2c(NCCCNCc3ccc(-c4cccnc4)s3)ccnc2c1 299865794 OCRZADJLJIJMKB-UHFFFAOYSA-N 408.958 5.604 0 1 HKAF CC(C)=CCC/C(C)=C/C/C=C(\C)[C@H]1CC[C@@H]2[C@@]1(C)CC[C@@H]1C(C)(C)C(=O)CC[C@@]12C 473128134 YRLSPFMOGLJPJU-FDHZEJMHSA-N 424.713 8.853 0 1 HKAF O=S(=O)(Cc1ccccc1-c1nc2cccc(C(F)(F)F)c2[nH]1)c1ccccc1 586922381 UGAYACRQBYXQJN-UHFFFAOYSA-N 416.424 5.223 0 1 HKAF CC(C)CCOc1ccc(Br)cc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 586981016 DDUASXZSERJUOE-GOSISDBHSA-N 417.307 5.141 0 1 HKAF Cc1cc(Br)cc2nc(CCNc3ccc(Br)cc3)[nH]c12 586996613 WTQNPSZKEXOHLO-UHFFFAOYSA-N 409.125 5.051 0 1 HKAF Nc1ccc(-c2ccc3[nH]c(-c4c(-n5cccc5)sc5c4CCC5)nc3c2)cc1N 587032303 HLFAWQNAIKTYQI-UHFFFAOYSA-N 411.534 5.402 0 1 HKAF Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 587047677 AELZSSWXHRJWLC-HZPDHXFCSA-N 409.316 6.720 0 1 HKAF FC(F)(F)c1cnc2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc2c1 587049798 LMFAOHGFABXTGD-UHFFFAOYSA-N 423.825 7.117 0 1 HKAF FC(F)(F)c1c(Br)ccc2nc(CCc3ccccc3Cl)[nH]c12 587059951 VYGIGJRUTNLQJP-UHFFFAOYSA-N 403.629 5.783 0 1 HKAF Fc1cc2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2cc1C(F)(F)F 587063223 IUVGRKAGAAZKPE-UHFFFAOYSA-N 420.793 6.620 0 1 HKAF COc1ccc(Br)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587101668 JGZUWCAGUMRHGG-UHFFFAOYSA-N 416.274 5.884 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ncc(Br)cc3Cl)nc3cccc1c23 587101732 LXZDJDDSLZWHNC-UHFFFAOYSA-N 421.681 5.924 0 1 HKAF CC(C)(C)OC(=O)NC[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587103034 CTUJIKUAEQMGAT-HNNXBMFYSA-N 414.505 5.076 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1[nH]c2ccc(Cl)cc2c1CC3 587103401 HGYRNOWBIICHKG-UHFFFAOYSA-N 406.872 6.347 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C1 587105129 PKQZKWVFDVSHPL-OAHLLOKOSA-N 400.478 5.171 0 1 HKAF Cc1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1C 587119844 IHEWQZNHLFDYPI-UHFFFAOYSA-N 407.399 5.575 0 1 HKAF FC(F)(F)Oc1cccc(CSCc2nc3ccc(C(F)(F)F)cc3[nH]2)c1 587122392 KZODWIHLOZBJOW-UHFFFAOYSA-N 406.351 5.914 0 1 HKAF Nc1ccc(-c2ccc3nc(/C=C/c4c(F)c(F)c(F)c(F)c4F)[nH]c3c2)cc1N 587135419 ZSHPFGAMRBVIAZ-ZZXKWVIFSA-N 416.353 5.260 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c(F)c2)c(F)c1 587150790 FGJOGSAXQMAIMH-UHFFFAOYSA-N 420.394 5.509 0 1 HKAF Cc1ccc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 587199331 BDDJFYOGLRYYKJ-INIZCTEOSA-N 412.493 5.208 0 1 HKAF Oc1nc2ccc(Cl)cc2c(-c2ccccc2)c1-c1cc2c3c(cccc3n1)CC2 587209638 VBZWAKKSWMBQNU-UHFFFAOYSA-N 408.888 6.575 0 1 HKAF CCCc1c(-c2ccc(F)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587359854 JJJDBPKYQIQBTK-UHFFFAOYSA-N 411.476 7.415 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(F)ccc2NC(=O)C3)c1 587361377 YYDXVWBQRJXSKE-UHFFFAOYSA-N 424.431 5.957 0 1 HKAF C[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2S1 587376336 WQBQMFRPXPGRNH-DXHOUVOYSA-N 406.478 5.670 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1c(C)nc3c(C)cccc3c1Cl)O2 587378875 FEOWAEIOEBLMBK-DEOSSOPVSA-N 408.929 5.752 0 1 HKAF CC1(C)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 587500403 WPSMRKYHBIAVTE-HSZRJFAPSA-N 411.339 5.870 0 1 HKAF O=C1C[C@](C[C@H]2CC[C@@H](C(=O)O)C2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587529151 JTUCPICUOFTYBU-BNJIMDBKSA-N 404.506 5.317 0 1 HKAF CC[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545270 HAILSFBMYOWDCE-SIKLNZKXSA-N 414.379 5.678 0 1 HKAF Cc1ccc(C(F)(F)F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548067 MXNIMONTZWXGOF-WIYYLYMNSA-N 400.352 5.422 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C)c(Cc3ccc(I)cc3)c2c1 587641918 KRTMZYNQQKETHB-ZDUSSCGKSA-N 403.307 6.185 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)cccc2Cl)N1 587691756 HUNLIZFVDUXYMR-XYZCENFISA-N 403.122 5.693 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccco2)N1 587700034 LHQHTNOBZZPSSK-YUNKPMOVSA-N 420.709 5.661 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)nc2C(F)(F)F)N1 587714408 PVQIVWNYVBMPGR-UOWDBTKRSA-N 423.635 5.279 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(F)(F)F)c2F)N1 587715201 XCJSPGJQMRAQEU-BCTVWOGZSA-N 406.192 5.370 0 1 HKAF Cc1ccc(-c2cncc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 587774620 NAJRHSHPMLFSNY-RCDICMHDSA-N 411.318 5.582 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 587779852 GXLYRQNTFPZRLP-UHFFFAOYSA-N 400.375 6.454 0 1 HKAF COc1cccc(OCc2ccc(-c3nc4nc(Cl)c(Cl)cc4[nH]3)cc2)c1 587780503 AZHNRGYVJOEYEU-UHFFFAOYSA-N 400.265 5.519 0 1 HKAF COc1ccc(C)c2c1CCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587804810 BWGSXBCZEXACHF-ZSEKCTLFSA-N 404.323 5.019 0 1 HKAF Cc1cc(C)c(C(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587812634 JZFYROPGMZVHCX-IVZQSRNASA-N 418.350 5.536 0 1 HKAF COc1ccc2oc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)c2c1 587826231 DRANHBHQVFVIAE-FIKIJFGZSA-N 418.306 5.449 0 1 HKAF CCc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)oc2ccc(C)cc12 587827530 JYOPWUXYSZSXHY-WHEQGISXSA-N 416.334 6.003 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3cc(O)ccc3c2)N1 587830242 CGWJHTHMVNQYRU-GTJPDFRWSA-N 400.291 5.245 0 1 HKAF COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1SC 587843745 JEBGEIKSKXLZKU-WYRIXSBYSA-N 410.352 5.116 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3cccs3)c2)N1 587851770 JJHABSRSHNKLGE-FKIZINRSSA-N 402.332 5.940 0 1 HKAF Cc1ccc(-c2ncc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)o1 587853266 LTQOFMPAUGPMQV-XLFHBGCDSA-N 407.308 5.237 0 1 HKAF CC[C@]1(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)CC(=O)c2ccccc2C1 587960279 KINAWKLRBHQYMZ-HXUWFJFHSA-N 406.835 6.003 0 1 HKAF CCCCc1ccc(-c2cccc(-c3noc(Cc4c[nH]c5ccccc45)n3)c2)cc1 653706038 SZMAEGYIPULBKA-UHFFFAOYSA-N 407.517 6.818 0 1 HKAF COc1ccc2c(c1)[C@]1(CCCc3sc(Br)cc31)N(C(C)C)CC2 962087421 DNCIXHWYEUGXCL-FQEVSTJZSA-N 406.389 5.366 0 1 HKAF Cc1cc([C@]2(c3cccc(Cl)c3)NCCc3cc(-c4ccccc4)ccc32)ccn1 962673499 YWGGEUMKYRLDHG-MHZLTWQESA-N 410.948 6.148 0 1 HKAF COc1cccc2cc3c(nc12)[C@](c1cccc2ccccc12)(C(F)(F)F)NCC3 963058020 QBJCNJWDBYMAPE-HSZRJFAPSA-N 408.423 5.348 0 1 HKAF O=C(O)CCC[C@]1(c2ccccc2C(F)(F)F)c2c(F)cccc2C[C@H]2CCCN21 963108279 LDKSBOMDVPLGSE-ZHRRBRCNSA-N 421.434 5.364 0 1 HKAF Cc1ccc(-c2cc(SNC3CCCCCC3)nnc2-c2ccc(C)cc2)cc1 1857647200 NHIOCQWXKWXDNW-UHFFFAOYSA-N 403.595 6.747 0 1 HKAF Clc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCCCC2)cc1 1857653302 VXJYYBXZASAJMG-UHFFFAOYSA-N 401.941 6.308 0 1 HKAF O=C(CNc1ccccc1)Nc1c(C(=O)c2ccccc2)[nH]c2cc(Cl)ccc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c1ccccc1)c1ccc(C(F)(F)F)cc1 13123404 CVULGKRHVFGCGX-GWZGDKMZSA-N 417.515 7.022 0 3 HKAF Nc1[nH]c(C(=O)c2ccccc2)c(-c2cccc3ccccc23)c1C(=O)c1cccs1 199710975 SIESIUAPZCGLET-UHFFFAOYSA-N 422.509 5.941 0 3 HKAF O=C(c1ccc(-c2cc(F)cc(F)c2)cc1)N1Cc2cccn2Cc2ccccc21 1485609 BLTYNERWSWSLRZ-UHFFFAOYSA-N 400.428 5.642 0 1 HKAF CC(C)[C@@H](C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cccc2ccccc12 2480149 NVTNFFUWCLHQCR-MRXNPFEDSA-N 402.469 6.075 0 1 HKAF CC[C@]1(c2cccc(COc3ccccc3)c2)Oc2ccccc2-n2cccc2C1=O 13675321 HSVDJKGAHNIJBK-HHHXNRCGSA-N 409.485 5.937 0 1 HKAF CCc1cccc(CC)c1NC(=O)[C@@H]1c2ccccc2COc2ccc(C(C)C)cc21 13735159 VLFQOCBYCLPBQA-AREMUKBSSA-N 413.561 6.598 0 1 HKAF CCCN(CCC)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1C 13759980 UAWBOJNWORVGBS-UHFFFAOYSA-N 401.769 6.424 0 1 HKAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)OC3[C@@H](C)CCC[C@@H]3C)CN(C)[C@@H]1C2 27519435 WRVDEIUJUYJDJD-KVIXNOQCSA-N 422.613 5.550 0 1 HKAF Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(Cl)c2)n1 35907613 AOXVYFLXNZEUPI-UHFFFAOYSA-N 400.862 5.170 0 1 HKAF COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)OC(C)(C)C 45286922 GTZHAGKHNWMBFW-HJWRWDBZSA-N 415.486 5.238 0 1 HKAF CCCO[C@H](c1ccc(Br)cc1)[C@H](SC(C)(C)C)n1cnc(C)c1 45366019 CLRSLKWUYWDGQJ-MSOLQXFVSA-N 411.409 6.152 0 1 HKAF COc1cc(-c2nc(CN[C@@H](C)c3cccc4ccccc34)co2)cc(OC)c1OC 72182472 QVSWMTCOGBMLHK-INIZCTEOSA-N 418.493 5.371 0 1 HKAF C[C@H](CNc1ncnc2c1nc(C1CCCCC1)n2C[C@H]1CCCO1)c1ccccc1 82188290 NPXANKNPHOACGX-WIYYLYMNSA-N 419.573 5.269 0 1 HKAF O=C(O)c1ccc(N[C@@H](CC(=O)c2cc3ccccc3o2)c2ccc(F)cc2)cc1 103175060 OFLHJXSVIHZQIU-FQEVSTJZSA-N 403.409 5.696 0 1 HKAF O=S(=O)(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(Cl)c(Cl)c1 103192263 CXMVNXYQQWQYJU-UHFFFAOYSA-N 404.624 5.466 0 1 HKAF CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)NC(C)(C)C 103278400 BSVGYICIVYGCPJ-IBGZPJMESA-N 424.532 5.820 0 1 HKAF OC1=C2C(=Nc3nc(SCc4ccccc4F)nn3[C@H]2c2ccc(O)cc2)CCC1 104056664 GKVMMJGCDORQPQ-FQEVSTJZSA-N 422.485 5.087 0 1 HKAF CN1C/C=C\CCOc2cccc(c2)-c2ccnc(n2)Nc2ccc(Cl)c(c2)C1 137304849 VQNXOAVFMIVTAT-IHWYPQMZSA-N 406.917 5.311 0 1 HKAF CC(C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC/C=C\CCCC(=O)O 169636559 SSWITERJJRLGBX-PLPXEHMPSA-N 422.738 9.433 0 1 HKAF O=C(Nc1ncccc1OCc1ccccc1Cl)Nc1cccc2ccccc12 206947615 LVSZVZARHSKNLO-UHFFFAOYSA-N 403.869 6.111 0 1 HKAF Clc1ccc([C@H]2C[C@H]3CC[C@@H](S3)[C@H]2c2cc(-c3ccccc3)no2)cc1Cl 211510671 KWPJGSRDVFKINU-AHWCRGGASA-N 416.373 7.184 0 1 HKAF C[C@H](CCCCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 231928562 ISELACRIJKHUTE-LBSADWJPSA-N 420.634 5.258 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1CC3)C(C)C 255283454 YCBMXIIYHMNHDU-MCDQRYRBSA-N 414.718 8.169 0 1 HKAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccccc2)C1 299876513 FVFFXNXSPLFQOS-MXEMCNAFSA-N 420.601 5.277 0 1 HKAF Cc1ccc(SCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(C)c1 586964009 VBALRJXNOWSNQR-UHFFFAOYSA-N 415.278 6.253 0 1 HKAF Cc1nc2c(C)ccc3c2c(c1Cc1ccc(C(F)(F)F)cc1)-c1ccccc1C3=O 586993192 MLECOIVRWUCAHW-UHFFFAOYSA-N 417.430 6.673 0 1 HKAF Nc1ccc(-c2ccc3nc(-c4cc5ccc(Br)cn5c4)[nH]c3c2)cc1N 587006183 JOQWAAGLQPYIPO-UHFFFAOYSA-N 418.298 5.077 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)c(F)c(F)c3[nH]2)C[C@@H]2CCCC[C@H]21 587027838 STRSGOMZEZMJLR-MAZHCROVSA-N 419.472 5.117 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(F)cc(Br)c2[nH]1 587073624 IEQFOJVUUYRAFE-UHFFFAOYSA-N 415.693 6.760 0 1 HKAF CC(C)COc1cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2cc1Br 587085010 WKMYWTPCZAZYIY-UHFFFAOYSA-N 415.118 5.729 0 1 HKAF Cc1c(-c2ccc(OCC(C)C)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587095833 BEWKJDPZGXENBN-UHFFFAOYSA-N 407.513 6.765 0 1 HKAF Cc1ccc2c3c(cc(/C=C4/C(=O)N(C)c5ccccc54)nc13)-c1ccccc1C2=O 587096110 DCFLVLXGTXGHIT-HYARGMPZSA-N 402.453 5.272 0 1 HKAF Fc1c(Br)ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 587113738 YMHHUTPVPZZLJH-UHFFFAOYSA-N 410.168 5.699 0 1 HKAF CC(C)(C)OC(=O)N(Cc1nc2ccc(Oc3ccccc3)cc2[nH]1)C[C@@H]1CCCO1 587197157 KIJHLTBHVIOMPE-IBGZPJMESA-N 423.513 5.271 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(C)(C)C 587203250 DPCNBUIQKISFBA-CYBMUJFWSA-N 419.875 5.717 0 1 HKAF C[C@]12CC(=O)[C@@H]3[C@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@@H]1CCC2=O 587214462 ARXVSBVUHQCDLW-JMZAFNPWSA-N 411.545 5.264 0 1 HKAF O=C(Nc1ccccc1)c1ccc(-c2nc3c(F)cc(Br)cc3[nH]2)cc1 587244987 UIEXOZYQYLHVMT-UHFFFAOYSA-N 410.246 5.384 0 1 HKAF CC(C)[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328914 KTALBJGEQHCURB-ISKFKSNPSA-N 410.872 6.095 0 1 HKAF CC[C@]1(c2ccc(C(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352880 KDSRVKPILJLQPR-AZGAKELHSA-N 404.481 6.319 0 1 HKAF COC(=O)[C@H]1c2ccccc2-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587361872 CYLYILHXDIPRHS-QFIPXVFZSA-N 421.452 5.942 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](n2nc(C)cc2C)CC3)c1 587362099 BOOZDCOSDZQSJU-LJQANCHMSA-N 423.516 6.200 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(C(C)C)cc3)[nH]c3ccccc13)O2 587397711 ZAKHKBMSNVXEHE-XMMPIXPASA-N 410.517 6.555 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1SC(C)C)O2 587408691 HUVVSPXZGDZVCL-QGZVFWFLSA-N 406.345 5.547 0 1 HKAF CCCc1c(O)ccc2c1OC1(CC2=O)CC(c2ccc(Br)cc2)C1 587458790 UJHXBGYYERBOGW-UHFFFAOYSA-N 401.300 5.389 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1cccnc1)(c1cccc(Cl)c1)CC2=O 587463945 ZYKSBLZRMHOPAH-XMMPIXPASA-N 407.897 5.497 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2COc2cc(F)ccc21 587471676 MBGBZRVDSGNTSU-RUZDIDTESA-N 404.437 5.285 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(C(C)(C)C)cc1)CC2=O 587488938 LFYYIFHPEGBYFY-RUZDIDTESA-N 410.510 5.368 0 1 HKAF CC(C)(C)OC(=O)NCc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587514973 ZDIIIIQLZSKVER-JOCHJYFZSA-N 407.510 5.297 0 1 HKAF Cc1ccc([C@@]2(c3ccccn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587585477 DIMFCUAHBDNCQY-OZXSUGGESA-N 409.441 5.001 0 1 HKAF C[C@H](Cc1ccc(C(C)(C)C)cc1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600714 CBAKDZRHOARKSG-BPKZHXITSA-N 416.517 5.899 0 1 HKAF Cc1nc(C(C)(C)C)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612603 MDCMXYDSRDGLFK-SBUREZEXSA-N 409.507 5.332 0 1 HKAF Cc1ccc(Br)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587678541 OAIXQOXQOWKOHB-BTDLBPIBSA-N 413.128 5.283 0 1 HKAF Cc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587709248 JTPGXJKUYZRTDD-BMLIUANNSA-N 420.219 5.376 0 1 HKAF CC[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587709622 BTYQLINKXHGDRY-VOJFVSQTSA-N 416.256 5.795 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2c(F)cccc2Cl)N1 587717765 GONOQDFKLIBLTP-QLJPJBMISA-N 400.694 5.589 0 1 HKAF Cc1noc(-c2ccccc2)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587790417 BZZMGRZXZXLRSP-NSPYISDASA-N 401.279 5.175 0 1 HKAF CCCOc1ccc2[nH]cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587806146 VFXWVFJQRPIUOD-GTJPDFRWSA-N 417.322 5.482 0 1 HKAF Cc1ccc([C@]2(c3ccco3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587825503 ACCVFJUWHKZYMV-QRQCRPRQSA-N 414.318 5.624 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3ccc(O)cc3)n2)N1 587850903 GEXVVZMAAVOKCE-MLCYQJTMSA-N 419.319 5.041 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCN(Cc3cccs3)CC2)N1 587850957 GWJNZXJIXDVYHP-ZUOKHONESA-N 423.395 5.137 0 1 HKAF CCCCCC1CCC(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)CC1 587862428 NNYXPCBSCBZYMF-UHFFFAOYSA-N 422.491 6.604 0 1 HKAF C[C@@]1(c2c[nH]c3ccc(Br)cc23)NCCc2cc(-c3ccccc3)ccc21 962671841 XGAMXZRVFUPHPO-XMMPIXPASA-N 417.350 6.007 0 1 HKAF Clc1ccc([C@H]2CCC[C@@]3(C2)c2ccsc2CCN3Cc2cccnc2)cc1 962994195 CIMAVZCMHJRAQZ-GBXCKJPGSA-N 408.998 6.408 0 1 HKAF COc1ccc(-c2ccncc2)cc1[C@H]1c2ccsc2CCN1Cc1cccnc1 962999322 QNMDDKCTMOERTG-RUZDIDTESA-N 413.546 5.361 0 1 HKAF Cc1ccc(Sc2ccc([C@]3(C)N[C@H](C(=O)O)Cc4cc(C)c(O)cc43)cc2)cc1 963523312 GYAFQJNGIMVYST-DHLKQENFSA-N 419.546 5.023 0 1 HKAF O=C(O)Cc1cccc(NCc2cc3c(-c4ccc5ccccc5c4)cccc3s2)c1 1772574816 WIMAEVJHDYNDKS-UHFFFAOYSA-N 423.537 6.961 0 1 HKAF Clc1nc2ccccc2cc1CN(c1ccccc1)c1nnc(-c2ccncc2)o1 1857608137 BKDLRQHWPOPGHJ-UHFFFAOYSA-N 413.868 5.672 0 1 HKAF Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc(-c4ccccc4)cc(=O)c3c2)c(C)c1 1911585977 HBMIRPWRTDCKGP-UHFFFAOYSA-N 419.502 5.186 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](O)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356422372 AUHVNMOANKGXPA-PICLWTRASA-N 414.674 6.382 0 1 HKAF CC(=CCCC(=CC[C@H]1OC(=O)C[C@@H]1CO)CO)CCC1=C(C)CCCC1(C)C 2356603095 XYSUNNIWINLBIX-FYYLOGMGSA-N 404.591 5.253 0 1 HKAF CC(=O)O[C@@H]1CC=C(C)CC[C@H](C(C)C)[C@@H](OC(=O)C=Cc2ccccc2)C=C1C 2356663690 QXNHMPGONJBGRY-SDHSZQHLSA-N 410.554 5.892 0 1 HKAF Cc1cc(Br)cn2c(Cc3ccsc3)c(-c3ccc(Cl)cc3)nc12 73258651 BMZBECKIXCWGCB-UHFFFAOYSA-N 417.759 6.378 0 3 HKAF COc1cc(O)c(-c2c(C)cc(OC)c3c(OC)cccc23)c2c1[C@H](C)N(C)[C@@H](C)C2 5849421 DJKKAJMAHBJDCM-HOTGVXAUSA-N 421.537 5.484 0 1 HKAF biogenic O=C(O)CCCCCCCCSc1cc(-c2ccccc2)c(-c2ccccc2)nn1 13470403 GIXJHHLSOXFOOP-UHFFFAOYSA-N 420.578 6.718 0 1 HKAF Cc1ccccc1Sc1ccc2c(n1)CNC(=O)N2c1c(Cl)cccc1Cl 13587241 UZEBTLKJBIERRJ-UHFFFAOYSA-N 416.333 6.209 0 1 HKAF CCN(CC)C(=O)/C=C(\C)c1ccc(O[C@H](C)c2ccccc2)c(CCC(=O)O)c1 13782721 PIZMCCZVZJVIPB-WNZNBFKUSA-N 409.526 5.116 0 1 HKAF CC(=O)O[C@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 28863179 HMMXRBXGPAQIDO-YNXSZTIQSA-N 403.566 5.524 0 1 HKAF O[C@H](CNc1ccnc(Nc2cccc(Cl)c2)n1)c1ccccc1C(F)(F)F 45315012 OIDCCWUBWHMOIO-MRXNPFEDSA-N 408.811 5.038 0 1 HKAF Cc1cc(C(F)(F)F)cc2c(C(=O)O)c(O)c(C3(c4ccc(Cl)cc4)CC3)nc12 58574770 DSNCNEJAJMSDCP-UHFFFAOYSA-N 421.802 5.699 0 1 HKAF COc1ccc(/C=C(\c2ccc(OC)cc2)c2cc(OC)c(OC)c(OC)c2)cc1 64504089 IACBVJUAWGMDDP-HYARGMPZSA-N 406.478 5.319 0 1 HKAF COc1ccc(-c2cc(COC[C@@]3(C)C=Cc4c(C)c(O)c(C)c(C)c4O3)on2)cc1 72113595 DRSXEYJDSFMYPQ-RUZDIDTESA-N 421.493 5.362 0 1 HKAF C[C@@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(CCc3ccccc3)C[C@H]12 73163504 MEFBNOXISJBUAP-YRISNDGFSA-N 412.499 6.027 0 1 HKAF CC(C)CCC[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 84731862 ZOMKSZCIFXYBAD-LRHBWNCWSA-N 420.678 5.554 0 1 HKAF CC1=CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](C)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C 85644658 UQSMQZZYUKDRFU-ALMLPMLFSA-N 424.757 9.300 0 1 HKAF biogenic,in-vitro Nc1nccn2c(C3CCC3)nc(-c3ccc(Oc4ccc5ccccc5c4)cc3)c12 96168221 BZEGFXFWLLSQMF-UHFFFAOYSA-N 406.489 6.192 0 1 HKAF CN(C)C(=O)c1cccc(-c2ccccc2CC(c2cccnc2)c2cccnc2)c1 114776375 DDLRTBSQQLRMGW-UHFFFAOYSA-N 407.517 5.220 0 1 HKAF CC(C)[C@@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118915263 ZHZKWZJLUNXOSN-VDDNJJGASA-N 418.706 6.685 0 1 HKAF in-vitro O=c1cc(COc2ccccc2)n(C2CC2)cc1Oc1cccc(Cl)c1Cl 141720116 SKGQKXBYVJIBRO-UHFFFAOYSA-N 402.277 5.861 0 1 HKAF O=C(NC1CC1)c1cc(-c2ccco2)nc2ccc(-c3ccc4scnc4c3)cc12 150094283 GABRMOWYUNASGQ-UHFFFAOYSA-N 411.486 5.664 0 1 HKAF CCOc1cccc(F)c1[C@@H]1C[C@H](C)C(=O)N1Cc1ccc2oc3ccccc3c2c1 215902924 XJZTXMOXMDLNSA-KKSFZXQISA-N 417.480 6.234 0 1 HKAF C[C@H](C(=O)NCCc1c[nH]c2ccc(O)cc12)c1cccc(Oc2ccccc2)c1 299823769 USGJSQAQVXFMSB-KRWDZBQOSA-N 400.478 5.128 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@@H]3[C@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 299872582 GMBQZIIUCVWOCD-CEFYNBELSA-N 416.646 5.794 0 1 HKAF N[C@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586984217 ONWLEGMGIXTBNR-GFCCVEGCSA-N 418.644 5.240 0 1 HKAF Nc1cc(Br)ccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586984738 PDRSLZGMAYLJJG-UHFFFAOYSA-N 417.262 5.164 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(Br)cn4)nc13)-c1ccccc1C2=O 586993873 RIJIGMGBSSOMBT-UHFFFAOYSA-N 401.263 5.579 0 1 HKAF Cc1c(Br)cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1C 587003036 JEHANDNUGQAZEG-UHFFFAOYSA-N 420.108 5.248 0 1 HKAF Cc1c(Cl)ccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c12 587049044 GIWZZFODNSRGKI-UHFFFAOYSA-N 403.312 7.665 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@H]4c4cccc(F)c4)[nH]c3c2)cc1 587161286 MALUPBDZVLSFBC-VQTJNVASSA-N 402.425 5.552 0 1 HKAF Cc1c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc(-c2ccc(F)cc2)n1C 587166199 PGCJAKHMUXUENJ-UHFFFAOYSA-N 409.774 5.097 0 1 HKAF Cc1c(C)c(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1C 587349769 CPFIIRKIFYPJEG-VPUSJEBWSA-N 418.508 6.348 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2Cc2ccccc2)[C@@H]1c1ccc(F)cc1 587353284 ONYHAIGFYZGXLD-FESMNKHTSA-N 416.492 6.062 0 1 HKAF CCOC(=O)[C@@H](C(C)=O)c1c(C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587363056 PDFUZUKVWXWCCC-NRFANRHFSA-N 417.461 5.201 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(O[C@@H](C)CC)c(OC)c1)CC2=O 587460008 KKOPQQFNHFMIDZ-RBZFPXEDSA-N 418.917 5.891 0 1 HKAF CC1(C)c2ccccc2-c2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc21 587523177 JZONQMGNPUMXPF-LJAQVGFWSA-N 408.541 6.752 0 1 HKAF C[C@@]1(c2ccc(N3CCCC3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558679 SUXDRHXUNXBTDG-DHLKQENFSA-N 419.452 5.009 0 1 HKAF CCCOc1cccc(Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)c1 587570343 VYCWUTPYORFZCE-UHFFFAOYSA-N 403.320 5.492 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1cc(F)ccc12 587572513 VSCWEYQYBAFOKV-BVAGGSTKSA-N 410.400 5.417 0 1 HKAF COc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599886 IPIMZXAYFCKHNB-SQHAQQRYSA-N 424.452 5.306 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cc2ccccc2)ccc1O 587607345 ICSCXZKRAWRHGV-SQHAQQRYSA-N 424.452 5.392 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CC1CCOCC1)c1ccccc1 587611539 SPJSLNGZPLFEIR-JYFHCDHNSA-N 416.473 5.066 0 1 HKAF CCCCCCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587613120 NTMHMSIAYMAVRG-QPPBQGQZSA-N 408.519 6.279 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccncn3)c(-c3ccccc3)[nH]c2c1 587627859 KOMZJWHMFVPJFD-UHFFFAOYSA-N 407.317 6.330 0 1 HKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc2ccc(Cl)cc2s1 587662624 ONBKGDCSFPNXSZ-UHFFFAOYSA-N 407.857 5.455 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccncc3)cc2F)N1 587725257 OENJOVBYOPSCTE-LAJNKCICSA-N 415.281 5.413 0 1 HKAF CCOc1cc(CC[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587800320 FOCGHAWCPXPWNR-YEJXKQKISA-N 422.338 5.075 0 1 HKAF CCC1CCC(C2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)CC1 587817071 HUNPXDDRSRKOLW-LRYXAPPNSA-N 422.426 6.724 0 1 HKAF Cc1ccc(SC(C)(C)[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587841842 SCBYBUUZIWTINU-ORAYPTAESA-N 408.380 6.043 0 1 HKAF Cc1ccc(-c2ncc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)o1 587852549 HEDAXBUPTHXLIU-XYZCENFISA-N 407.308 5.237 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccccc1F 587854330 DSVFCFCEJWVVOG-UHFFFAOYSA-N 409.244 5.114 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc(OC(F)(F)F)ccc4[nH]3)cc2)cc1OC 587928468 FWCQZRJHVXMYNB-UHFFFAOYSA-N 414.383 5.813 0 1 HKAF CC(C)Oc1cc(-n2c(O)ccc2OCCCc2ccccc2)c(Cl)cc1Cl 587942897 FIXVDAKNUYUBKY-UHFFFAOYSA-N 420.336 6.289 0 1 HKAF COc1ccc(C2=Cc3ccc(F)cc3[C@H](CC(=O)CO)N2c2ccc(C)cc2)cc1 653812602 CRFKKMHROIVNOH-SANMLTNESA-N 417.480 5.154 0 1 HKAF C[C@]1(Cc2cccc(C(F)(F)F)c2)NC2(CC2)Cc2ccc(Br)cc21 961329827 ZRZLOJBYCLYBEG-GOSISDBHSA-N 410.277 5.604 0 1 HKAF CC(C)(C)C[C@]1(c2ccc(Cl)cc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962698702 JGYZNEXHSUQNOF-DVECYGJZSA-N 418.021 6.523 0 1 HKAF CCCc1ccc([C@]2(c3ccccc3Cl)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963115168 URJZTBFTHDAOHJ-YIXXDRMTSA-N 419.971 6.744 0 1 HKAF Cc1cc2occ([C@H]3c4cccc(Br)c4CCN3C)c(=O)c2cc1Cl 963290747 YFHUVXCQIXYHLM-LJQANCHMSA-N 418.718 5.095 0 1 HKAF O=C1[C@@H]2C=CC=C[C@H]2[C@H](c2ccc(Oc3ccccc3)cc2)N1c1ccc2nc[nH]c2c1 1772608287 CHKREEOQSZISDH-PLXFJCCSSA-N 419.484 5.802 0 1 HKAF Cc1nc(-c2ccc(F)cc2)oc1-c1csc(-c2ccc(Br)cc2)n1 1772645050 ZNFKFKPDHMJGDL-UHFFFAOYSA-N 415.287 6.342 0 1 HKAF O=C(Nc1cccc2[nH]ccc12)c1cc2ccc(I)cc2s1 1857533856 BAPOBBMTYXSRRJ-UHFFFAOYSA-N 418.259 5.240 0 1 HKAF Oc1ccc(-c2cc(-c3ccccc3C(F)(F)F)nc3c2Cc2c(O)cccc2-3)cc1 1857554719 MJEJVRDFKKILDU-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF COc1ccc2nc(-c3cccnc3-c3cc(C(F)(F)F)ccc3Cl)[nH]c2c1 1857582089 SMPNKDMPGLWJJN-UHFFFAOYSA-N 403.791 5.973 0 1 HKAF CC(C)[C@H](NC(=O)OCc1ccccc1)[P@](=O)(Oc1ccccc1)C(C)(C)C 1911572561 KUGCXRQVZDZMNY-NGOKVRLYSA-N 403.459 6.051 0 1 HKAF C[C@@]12CCC[C@H]3C[C@@]([C@@H]4C[C@@H](Cc5ccc(=N)[nH]c5)CC5(CCCC5)C4)(C[C@H](N)[C@H]31)O2 2356297742 XVWCVNLEKPCASR-XXYHVIPKSA-N 423.645 5.078 0 1 HKAF CCCC[C@@H](O)[C@@H](O)C=CC(=CCCCCCCCC(=O)O)Cc1cccc(O)c1 2356370495 ATAJQQPGGBYETR-RPWUZVMVSA-N 418.574 5.145 0 1 HKAF Cc1c2c(cc3c1[C@H](O)C[C@]1(C)[C@@H]3CC[C@@H]1[C@H](C)C=C[C@H](C)C(C)C)CC[C@@H](O)C2 2356393680 PWOLTSTXQZMPQX-PXGIIHKGSA-N 410.642 6.266 0 1 HKAF O=C(O)C1=CC[C@@H]2C[C@@H]3[C@H](CC[C@H](O)C=CC=Cc4ccccc4)[C@@H]4C=C[C@@H]1[C@@H]2[C@@H]43 2356401877 ROFUKMLUAVIQAH-BYNKQPAJSA-N 402.534 5.112 0 1 HKAF COC1=C(C)C(=O)OC1=C[C@@H](C)CCC=C(C)CCC=C(C)CCCc1ccoc1 2356461175 XISQJZUEXCAZSO-NRFANRHFSA-N 412.570 7.053 0 1 HKAF CC(C)=CCC[C@]12[C@H](O)CC[C@H](C)[C@]1(C)CC[C@@H](C)[C@H]2Cc1c[nH]c2ccccc12 2356599585 FPEXNLMEEYKYDQ-IFGWWLFCSA-N 407.642 7.286 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CC[C@@]1(C)[C@@H]2CCC=C(C)C2=CC[C@H]1C 2356842140 MLECYASLDLXTON-DZRGJMJISA-N 407.606 5.328 0 1 HKAF c1ccc(CNc2c(-c3cccc(SC4CCCCC4)c3)nc3ccccn23)cc1 61959721 ICKJAETXKKTKIX-UHFFFAOYSA-N 413.590 7.038 0 3 HKAF CCC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OC1=CCCCC1 5768437 VYAXJSIVAVEVHF-NUPXYHBHSA-N 408.582 6.701 0 1 HKAF biogenic COc1cc([C@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CCNC1)C(C)(C)O2 13455668 AMZHBXGJIJPSJR-QGZVFWFLSA-N 409.545 5.879 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)c1c(O)cc(O)cc1O 14817811 JGENOJYUFVSJRO-JLNKQSITSA-N 410.554 6.908 0 1 HKAF COc1ccc(-c2c(C)c(C(C)C)nc3cc(OC)c(OC)c(OC)c23)cc1OC 26667206 JMCJRXDPAVJZCH-UHFFFAOYSA-N 411.498 5.377 0 1 HKAF O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1[S@](=O)C2 26840951 NGJZQVMKSBCUMZ-LJAQVGFWSA-N 403.434 5.027 0 1 HKAF CN(C)Cc1ccc2n1Cc1ccccc1N(C(=O)c1ccc(-c3ccccc3)cc1)C2 28527321 MUVJXVCECBEFIQ-UHFFFAOYSA-N 421.544 5.425 0 1 HKAF CC[C@@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4ccccc4F)oc3C)ccc21 28566077 HPTWYTJROHXJTH-UYAOXDASSA-N 423.484 5.551 0 1 HKAF CCN(CC)C(=O)c1ccc(-c2ccc(OCCCN3[C@@H](C)CC[C@@H]3C)cc2)cc1 28760804 YCPZDRATCRJDJG-SFTDATJTSA-N 408.586 5.477 0 1 HKAF CN(CC1C2CC3CC(C2)CC1C3)C1CCN(Cc2ccc(Cl)cc2F)CC1 40395288 QATIHAIANOCPNW-UHFFFAOYSA-N 405.001 5.448 0 1 HKAF CC(C)c1cc(C(C)C)n(C[C@H](OC(=O)Nc2ccc(F)cc2F)C(C)(C)C)n1 40420943 AANMJOPTHKSGLQ-FQEVSTJZSA-N 407.505 6.072 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)Cc5c[nH]cn5)c4)cc3)nc12 45229347 VAKYQANBOLDJMT-UHFFFAOYSA-N 407.477 5.110 0 1 HKAF c1ccc(CCNCc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)nc1 45230136 KLHMAHZQPXVCBV-UHFFFAOYSA-N 404.517 5.624 0 1 HKAF CC(C)(C[C@@](O)(CNc1cccc2ncccc12)C(F)(F)F)c1cc(F)ccc1O 64528122 BCEBCGJPCPOGCH-OAQYLSRUSA-N 422.422 5.153 0 1 HKAF CC[C@@H](C)[C@@H](NCc1ccc(C)cc1)c1nc(-c2ccccc2)c(N2CCCCC2)o1 72181945 PGQOKPXTBCLMFQ-ZJSXRUAMSA-N 417.597 6.517 0 1 HKAF CC[C@H](C)Cn1c(C(C)C)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 82179009 HGXFYEQQPJEVMM-AWEZNQCLSA-N 405.468 5.627 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccccc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82184778 MVVCMXDXANNZLB-MRXNPFEDSA-N 405.933 5.805 0 1 HKAF Cc1c2c(nn1CC(=O)N1c3ccccc3Sc3ccccc31)-c1ccccc1C2=O 95576726 CFMUQEVLUZSUDW-UHFFFAOYSA-N 423.497 5.232 0 1 HKAF N=C(N)Nc1ccc(Nc2ccc(NC(=O)CCCCCCCCCCN)cc2)cc1 95595810 ZLRJHHSXJDEAHK-UHFFFAOYSA-N 424.593 5.144 0 1 HKAF O=c1c(CC[C@@H](O)c2ccc(F)cc2)coc2cccc(OCC3CCCCC3)c12 96258459 JGKJGRDDJUUSHB-OAQYLSRUSA-N 410.485 5.557 0 1 HKAF C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5CCC[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 118913775 KPAQIOMLWLLNBY-CQOZKXSPSA-N 416.646 5.794 0 1 HKAF C[C@@H]1CCC[C@H](NC(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 143236654 JUQNLOMOUWTRQC-MJGOQNOKSA-N 402.498 5.321 0 1 HKAF CC(C)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C 255287685 ZRLNBWWGLOPJIC-CHAWCIKXSA-N 412.746 9.134 0 1 HKAF Cc1ccc(NC(=O)Nc2cc3ncncc3cc2OCc2ccc(F)cc2)cc1 299835875 ZHLQFQWSONKMGT-UHFFFAOYSA-N 402.429 5.300 0 1 HKAF COc1ccc(Cl)cc1Nc1nnc(-c2csc(NC(=O)C(C)(C)C)n2)s1 299841161 YGOJZOWNOWEDRC-UHFFFAOYSA-N 423.951 5.052 0 1 HKAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1 586918345 WXVMBGPYZNOPOG-LIRRHRJNSA-N 406.429 5.391 0 1 HKAF COc1cc(/C=C/c2nc3c(F)c(F)c(F)c(F)c3[nH]2)ccc1Br 586977536 QMXQCRBHVKHVPD-HWKANZROSA-N 401.157 5.061 0 1 HKAF CCOc1cc(/C=C/c2nc3cc(F)cc(F)c3[nH]2)cc(Br)c1OC 586978075 KWFFWFWMZKAUAP-SNAWJCMRSA-N 409.230 5.181 0 1 HKAF Fc1cc(Br)cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 587015991 MMPNGDXILOTKPY-UHFFFAOYSA-N 408.683 5.908 0 1 HKAF FC(F)(F)c1cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2cn1 587048554 CITSGOBQURRLIU-UHFFFAOYSA-N 423.825 7.117 0 1 HKAF Oc1c(Br)ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 587064200 DWINRQVHZJVAQK-UHFFFAOYSA-N 419.662 5.523 0 1 HKAF COc1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1F 587069732 NWPZWUXMOFFNQJ-QGOAFFKASA-N 406.888 6.537 0 1 HKAF Cc1cc(Br)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1F 587137522 AGEIMIBNGIDAEK-UHFFFAOYSA-N 418.491 5.856 0 1 HKAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(Cl)cc(F)c3[nH]2)c(C2CC2)n1 587229645 JYVFLNZYDYCCLQ-UHFFFAOYSA-N 416.884 5.320 0 1 HKAF C[C@]1(c2cccc(F)c2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336045 SOPAFMGWUVAAEP-SIKLNZKXSA-N 400.808 5.598 0 1 HKAF C[C@@]1(c2ccc(-n3cccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343782 VIMFNAALOZUXTD-AHWVRZQESA-N 413.448 5.596 0 1 HKAF CC[C@@]1(c2ccc(OC(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344040 BMVIGOITTRPTGX-AHWVRZQESA-N 420.480 5.983 0 1 HKAF Cc1ccc([C@@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587356859 RTHIMZPZBVVAAQ-RSXGOPAZSA-N 414.432 5.735 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(Cl)ccc2CC3)c1 587361301 XXUMWCFFHVQKIW-UHFFFAOYSA-N 411.888 7.076 0 1 HKAF COc1cccc(-c2c(C)c(-c3ccc(OC)cc3O)nc3c2oc2ccccc23)c1 587362560 JWBVIQPUXLGJBY-UHFFFAOYSA-N 411.457 6.346 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1Br)[C@@H](C2)C3=O 587412639 JNNYLZYNWFKVML-MBSDFSHPSA-N 421.290 5.149 0 1 HKAF CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CCCC[C@H]1CN(Cc1ccccc1)C2 587479133 BLGIYWBJFMYNDU-SFTDATJTSA-N 419.565 5.371 0 1 HKAF C[C@@]1(Cn2nc(C(F)(F)F)cc2C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587504607 FPQWYUQFOQBMGS-NRFANRHFSA-N 404.432 5.082 0 1 HKAF O=C1C[C@H](C(c2ccc(F)cc2)c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587506595 KXJGPFPBIZRLJU-XMMPIXPASA-N 404.456 6.010 0 1 HKAF CC(C)(C)c1[nH]c2c(F)cc(F)cc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587508623 QBNBSRYDYVGHGC-FQEVSTJZSA-N 409.476 6.329 0 1 HKAF Cc1ccc(Cn2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc32)cc1 587516724 VCOGOJOZVPKQCJ-MUUNZHRXSA-N 421.540 6.583 0 1 HKAF C[C@@]1(c2ccc(NC3=NCCCS3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587537398 DUMVHADCTDLKAJ-DEOSSOPVSA-N 406.551 5.351 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(C(F)(F)F)c1 587549100 PXOMBQLARQQRKO-FXAWDEMLSA-N 404.315 5.253 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)cc1C(F)(F)F 587549875 SJGVOCBVOQKJPZ-XLIONFOSSA-N 420.770 5.767 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cccc1OC(F)F 587557509 SFNHGFMXHFPGOO-FXAWDEMLSA-N 418.779 5.350 0 1 HKAF CCC(C)(C)c1ccc(OCc2nc3cccc(I)c3[nH]2)cc1 587564373 KCJYITWTCLZLSP-UHFFFAOYSA-N 420.294 5.434 0 1 HKAF CC(C)CCOc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595573 KZAVHWVIAUJDET-RCZVLFRGSA-N 404.462 5.520 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(-c2cccs2)cs1 587656901 KWVDRGREGPMXNZ-UHFFFAOYSA-N 423.469 5.516 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc3ccc(Cl)cc23)N1 587692147 AADAUJCVJYQTGQ-GIGQVBGESA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccncc3)cc2F)N1 587725271 OIGPYTVPVVBFBQ-XUSGNXJCSA-N 415.281 5.413 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(C2CCCC2)N1 587731559 HALGUVQUSGELLI-YEJXKQKISA-N 406.314 5.695 0 1 HKAF COc1ccc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c(OC)c1C 587787699 OAYIULDWFCHYRE-UHFFFAOYSA-N 419.319 5.353 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(C=O)c2)(C2CCCC2)N1 587821192 TUWLFBSYWXKZSO-PEBXRYMYSA-N 416.334 5.369 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CN[C@@H](C)c1ccccc1 587858547 JSPBGMLCBVMYIP-AWEZNQCLSA-N 418.324 5.247 0 1 HKAF Cc1cc2c(cc1F)[C@@H](c1ccc(-c3ccc(-c4cccs4)s3)s1)NCC2 962369911 BTFRHOKJYHCEFR-QFIPXVFZSA-N 411.592 6.888 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@@]12CCC[C@@H](c1ccc(Cl)s1)C2 962400164 SQIGAVZIXWLRKD-ZHRRBRCNSA-N 417.043 6.413 0 1 HKAF CC(C)[C@H](c1ccccc1)[C@@]1(C)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962951229 FRLYASOZRGUULX-PKTZIBPZSA-N 417.515 6.012 0 1 HKAF Cc1ccnc([C@]2(c3cccc(C)c3C)c3cccc(Br)c3CCN2C)c1 963279010 DSCUACRADMXBBI-DEOSSOPVSA-N 421.382 5.549 0 1 HKAF Cn1cc([C@@H](C[C@H]2NCCc3cccc(Cl)c32)c2ccccc2)c2ccccc21 963391499 VJFBSDFGOYJXGR-XUZZJYLKSA-N 400.953 6.241 0 1 HKAF O=C(O)[C@@H]1CC12CCC1(CCN(c3cc(OC(F)(F)F)ccc3Cl)CC1)CC2 1772617823 URKADBGRJJNSAM-AWEZNQCLSA-N 417.855 5.490 0 1 HKAF CC(C)=CCc1cc([C@H]2CCc3ccc(O)cc3O2)c2c(c1O)CC(C)(C)[C@@H](O)C2 1772643703 XDDAFCNRNKKJFR-VWNXMTODSA-N 408.538 5.159 0 1 HKAF CC(=O)c1ccc(OCCCCCCN2CCC(Cc3ccccc3)CC2)cc1O 1857542484 KENGQNHOYJFIKK-UHFFFAOYSA-N 409.570 5.489 0 1 HKAF O=C(NCc1ccc(SC(F)(F)F)cc1)c1ccc(SC(F)(F)F)cc1 1857764235 SOWGHXGISRQAEJ-UHFFFAOYSA-N 411.392 5.840 0 1 HKAF CC1(C)CC[C@]2(C)C[C@]3(C)[C@@H]4CC=C5[C@H](CC[C@H](O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2C1 2356508919 UTFIVTJATBGEOF-ROKBHQEOSA-N 412.702 7.779 0 1 HKAF C[C@@H]1CC[C@]2(C)[C@H](C)CC[C@H](O)[C@@]23CCC2=C(c4c[nH]c5cccc(c45)C2(C)C)[C@@H]13 2356535542 CGVQZHKJDJWLLW-KWPZWNMWSA-N 403.610 6.836 0 1 HKAF C=CC(C)=CC=C[C@]1(C)C[C@H](OC(=O)C(C)=CC)[C@H](OC(=O)C(C)=CC)C(C)(C)O1 2356548838 HBANHAYXQYVIAZ-STWLZBDKSA-N 416.558 5.389 0 1 HKAF CC(=CC=CC[C@H](C)C(Cl)(Cl)Cl)C(=O)N[C@H](c1nccs1)C(C)C 2356610015 SASMNYHOQIJNIJ-KBPBESRZSA-N 409.810 5.855 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356673050 GKBHKNPLNHLYHT-KHRRVTCMSA-N 400.735 9.134 0 1 HKAF COc1cc(O)c2c(c1[C@@H]1C=C(C)CC[C@@H]1C(C)C)O[C@H](c1ccccc1)CC2=O 2356680974 AHSGBCHOIWPPDO-KNKQGSTJSA-N 406.522 6.203 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCCC1=CC[C@@H](C2=CC(=O)O[C@@H]2O)OC1 2356798409 PGGSNPKCZWHNGG-ZCYQVOJMSA-N 400.559 5.703 0 1 HKAF O[C@H](Cc1cccc(Br)c1)c1nc(-c2ccccc2C(F)(F)F)c[nH]1 61904032 YHYIQMIRZUEVFO-MRXNPFEDSA-N 411.221 5.134 0 3 HKAF COc1ccc(Nc2cc3c(cn2)cc(-c2cnn(C)c2)n3Cc2ccccc2)cc1 82078872 YHVSBHVDPLWIPE-UHFFFAOYSA-N 409.493 5.237 0 3 HKAF Clc1ccccc1-c1nc2c(Nc3cccc(Oc4ccccc4)c3)nccc2[nH]1 205231011 UPDPMDQZITUUGR-UHFFFAOYSA-N 412.880 6.814 0 3 HKAF C[C@@H]1[C@@H]2CCCC(=O)N3CCC[C@@]23CC[C@H]1N(Cc1ccccc1)Cc1ccccc1 205713580 JIJUKGZLTPPKPS-WXFGDYGBSA-N 416.609 5.649 0 3 HKAF O[C@@H](CNCCc1ccccc1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 5127536 MAVZDIQQAYQMET-IBGZPJMESA-N 413.348 5.295 0 1 HKAF COc1cc2c(c(OC)c1-c1c(C)cc(O)c3c(OC)cccc13)[C@H](C)N[C@H](C)C2 13359056 YTAPXHUNYHTRNM-CABCVRRESA-N 407.510 5.142 0 1 HKAF biogenic Oc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1 13472271 SOBPPXGAFPCHFE-UHFFFAOYSA-N 401.550 5.801 0 1 HKAF OCCNCc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 13588191 IUNORHVEZRZFIC-UHFFFAOYSA-N 414.534 5.270 0 1 HKAF CC(C)(C)c1ccc(/C(=C/C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)cc1 13606889 ROADTDRCYJEJDF-PTGBLXJZSA-N 413.517 5.826 0 1 HKAF CC(=O)[C@@H]1[C@H](C(C)=O)CC=C2[C@@H]1CCC1=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]12C 13651633 FMYJTJNSCOXCIK-RLBRRGQKSA-N 418.512 5.108 0 1 HKAF CN(C)CC[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1 13684702 PXVQTBHXZHSXTC-HSZRJFAPSA-N 408.929 5.555 0 1 HKAF COc1c(C=O)c(C)c(Cl)c(O)c1C/C=C(C)/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C 13835881 AVSKESKHZOLKTC-UMXIGZEWSA-N 418.961 5.862 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C)C(C)C 26385890 AEWWFKWBCCJQAS-FBDRIWDMSA-N 414.634 5.237 0 1 HKAF CC(C)(Oc1ccc(NC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1)C(=O)O 26397502 YYKDBTPROFERMJ-UHFFFAOYSA-N 417.676 5.533 0 1 HKAF CCC[C@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc21 28566126 TWGPITPOBFPBHR-GOTSBHOMSA-N 419.521 5.802 0 1 HKAF O=C(Nc1ccccc1)c1ccc2nc(-c3ccc(Cl)cc3)c(O)c(C(=O)O)c2c1 35086923 OEYCGRAOIOPGKY-UHFFFAOYSA-N 418.836 5.211 0 1 HKAF OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2c1ccc1ccccc12 40391601 UNGWGGUPRUDQFM-KMXBQNHCSA-N 417.936 6.254 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4ccc(CN5CCC[C@@H](O)C5)cc4)s3)nc12 45229527 ADUZTWXXDHDUCZ-LJQANCHMSA-N 403.551 5.224 0 1 HKAF C[C@@H]1CN(Cc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)s3)cc2)C[C@@H](C)O1 45302246 DONJENJKKWNIDM-HZPDHXFCSA-N 421.541 5.707 0 1 HKAF O=C(NCc1ccc(Cl)cc1Cl)N1CCC(Oc2ccc(Cl)cc2)CC1 45335650 PZSLZMYTWPDNGQ-UHFFFAOYSA-N 413.732 5.400 0 1 HKAF C[C@H](CCCC(C)(C)N)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 81174068 PXBRKHPZKBDNFZ-ZHHJOTBYSA-N 401.679 6.470 0 1 HKAF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NCc2ccccc2)nc1-c1ccc(F)cc1 82139406 MENUSXUKUJQSLW-VGOFRKELSA-N 418.516 5.203 0 1 HKAF CCCCCn1c(-c2ccc(C)o2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187344 QPYYEXJKCZCISS-UHFFFAOYSA-N 407.493 5.379 0 1 HKAF O=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc(-c2ccccc2)cc1 95603987 OBNCRHQEPUHSQY-UHFFFAOYSA-N 406.529 6.697 0 1 HKAF Clc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1Cl 95608406 IKNOVRMNDQLJHP-UHFFFAOYSA-N 421.353 5.583 0 1 HKAF CC(C)=CCC/C(C)=C\CC/C(C)=C/CC/C=C(\C)CC/C=C(/C)CCC=C(C)C 100351163 YYGNTYWPHWGJRM-ZSUPCULTSA-N 410.730 10.605 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@]5(CCC(=O)O5)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 141920641 HXUJPLQVDFWGRC-ARHRCWHYSA-N 405.582 6.193 0 1 HKAF CCCCCCCCS(=O)(=O)Nc1ccc(-c2ccc(OC)cc2)cc1C(=O)O 143746530 DBEVLPTVQYUSEN-UHFFFAOYSA-N 419.543 5.163 0 1 HKAF CCO[P@@](=O)(CC)Oc1ccc(Nc2cc(-c3ccccc3OC)ncn2)cc1 169342883 FJNJKOBOWGABEB-LJAQVGFWSA-N 413.414 5.524 0 1 HKAF CCCCCCN(C=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169713968 GMEAODWEIDSCAS-KVVTXAHISA-N 416.650 5.257 0 1 HKAF COC(=O)C1=C(C)N=C2C[C@@H](C(C)C)CC(=O)[C@@H]2[C@@H]1c1ccc(-c2ccccc2)cc1 169728315 RTIUJDYMWVKLOA-LPPUWEFUSA-N 415.533 5.590 0 1 HKAF Cc1cc(C)cc(C(=O)Nc2ccc(C)c(-n3ccn4nc(-c5cccnc5)cc34)c2)c1 224210399 MCVQPWOMVRZAHE-UHFFFAOYSA-N 421.504 5.365 0 1 HKAF CC1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@H]5CC[C@]43C)[C@H]2[C@@H]1C 238731557 ZSOVUTSCUNBTPJ-JLJKJZOPSA-N 410.730 9.054 0 1 HKAF C[C@H](CN1CCCC[C@H]1CC1CCCCC1)c1cccc([C@@](C)(O)c2ccccc2)c1 253634529 PNDZVDCEOHUNSU-MGONOCMRSA-N 419.653 6.871 0 1 HKAF CC(C)[C@H]1CC[C@@H]2C3=CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]21C 255201963 CFSDWXPIIWGIDB-CFRKKCHQSA-N 410.730 9.054 0 1 HKAF C[C@H]([C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C)N(C)C 257620485 XHAWQUMRBLUKQA-UOTKXUGYSA-N 416.738 6.552 0 1 HKAF O=S(=O)(Nc1cccc(OCc2ccccc2)c1)c1c(Cl)cccc1Cl 473169318 NJSJUCYNXWELJT-UHFFFAOYSA-N 408.306 5.373 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(C)cc(Br)cc3[nH]2)cc1 586879413 PGKAPKPEXTVJDW-UHFFFAOYSA-N 421.294 5.974 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2cc(Cl)cnc2[nH]1 586982170 TUXFNJYTFJHIJN-UHFFFAOYSA-N 408.727 6.000 0 1 HKAF FC(F)(F)c1cccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 586998859 QOVNSVQHUGJJPC-PLNGDYQASA-N 411.177 5.243 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1 587008513 XMTCMFKZYPRLKQ-UHFFFAOYSA-N 415.600 5.541 0 1 HKAF O=C(O)c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 587010840 HRLSZIMIVNZVCS-UHFFFAOYSA-N 406.488 6.028 0 1 HKAF Cc1nc(C2CC2)sc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587011106 COHJIUHQWUKPPG-UHFFFAOYSA-N 418.238 5.533 0 1 HKAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(O)cc2[nH]1 587018461 CJBYRDMKYFXVIZ-UHFFFAOYSA-N 404.322 6.025 0 1 HKAF CCOC(=O)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc2c1 587030947 MQVMFISMJZLHMU-AWEZNQCLSA-N 405.523 5.699 0 1 HKAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 587049712 DVJPOMSPEPGOGH-UHFFFAOYSA-N 416.230 6.150 0 1 HKAF CCOc1cccc(OCC)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097263 KDOKXWBBEQMCNH-UHFFFAOYSA-N 409.485 6.219 0 1 HKAF FC(F)(F)c1cccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 587114233 XSCIBTFTCLMKOL-UHFFFAOYSA-N 409.127 6.030 0 1 HKAF Fc1ccc(F)c(SCc2cccc(-c3nc4c(S)nc(S)nc4[nH]3)c2)c1 587140903 IIPCTZJQMCACEU-UHFFFAOYSA-N 418.519 5.168 0 1 HKAF C[C@@]1(c2cnn(C3CCCC3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344278 WYTUATDMNIUJAC-VWNXMTODSA-N 406.457 5.117 0 1 HKAF CC[C@]1(c2cc(C)ccc2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348271 GVJCVUKNCIFUAQ-ILBGXUMGSA-N 406.453 5.513 0 1 HKAF CCc1cccc2c1OCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356299 JFDFQBWFRPFFCJ-WIOPSUGQSA-N 404.437 5.131 0 1 HKAF CCOC(=O)[C@@H](c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1)C(C)C 587362895 MPTIKRYMINUWAU-JOCHJYFZSA-N 403.478 5.959 0 1 HKAF COc1cccc(-c2cc(-c3cc(C)cc4nc(N)oc34)nc3c2oc2ccccc23)c1 587363110 PINLUUOBEZDIPH-UHFFFAOYSA-N 421.456 6.355 0 1 HKAF COc1cccc(-c2cc(-c3cccc4ccccc34)nc3c2oc2ccccc23)c1 587365743 OOLBKLFFLSTQKT-UHFFFAOYSA-N 401.465 7.477 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C(c2ccccc2)CC3)c1 587367881 ZOSHQIZPYBATPI-UHFFFAOYSA-N 403.481 7.143 0 1 HKAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1ccccc1Cl 587379799 WUWOZPJWFPIOFK-JOCHJYFZSA-N 423.896 5.525 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCc3ccc(Cl)cc3)c1)CC2=O 587458581 AGIQUCVCWGZQQE-DEOSSOPVSA-N 422.908 6.284 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(CC)cc1)(c1ccccc1Cl)CC2=O 587462252 OJNBTAYDHLGTAC-SANMLTNESA-N 420.936 6.470 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1c[nH]c3ccccc13)CC2=O 587467726 QWUCBXIEECCYOC-AREMUKBSSA-N 415.464 5.874 0 1 HKAF CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H]2CCC[C@@H](C1)N2Cc1ccccc1 587486858 MUVSFNOYLOWMJU-PMACEKPBSA-N 405.538 5.266 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1sc(N(C)C)nc1-c1ccccc1)CC2=O 587494284 KQKUFJIUPAJCIO-LJQANCHMSA-N 408.523 5.241 0 1 HKAF O=C1C[C@H](c2cnn(-c3cccc(Br)c3)c2)Oc2c1ccc1c2CCCC1 587495956 FZXCQQWJTLWXLD-OAQYLSRUSA-N 423.310 5.220 0 1 HKAF CCOC(=O)C[C@]1(C23CC4CC(CC(C4)C2)C3)CC(=O)c2ccc3c(c2O1)CCCC3 587525111 PZBAGCCNDALYSM-PQVSVAKBSA-N 422.565 5.439 0 1 HKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)cc1Cl 587542884 JSFWOKXGHFYYQV-NQIIRXRSSA-N 401.245 5.710 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1[nH]c3ccc(F)cc3c12 587566696 ADTDEBGFEZCCJN-DHLKQENFSA-N 415.420 5.206 0 1 HKAF Cc1c(Br)csc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610780 DVLBVSVUDHDBEA-QAPCUYQASA-N 417.280 5.228 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2cccs2)n1 587614209 RUAHPWGCMVXHHY-FXAWDEMLSA-N 407.472 5.280 0 1 HKAF COc1ccc(-c2c(-c3cc(Cl)ccc3Cl)[nH]c3ccc(F)c(Cl)c23)cc1 587628639 PIZCJLRKENSTEU-UHFFFAOYSA-N 420.698 7.610 0 1 HKAF O=c1c2cc(Cl)ccc2cnn1C(=S)Nc1c(Cl)cc(Cl)cc1Cl 587654527 LAFRNKJPGMJSAP-UHFFFAOYSA-N 419.120 5.255 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2F)(C(F)(F)F)N1 587701258 CDKUBYOMKOPXEX-XXFAHNHDSA-N 406.192 5.067 0 1 HKAF CC[C@@]1(c2ccc(OC(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587715635 HZLOOCDNARJCIA-WYRIXSBYSA-N 414.265 5.377 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccc(F)cc3)cs2)N1 587735041 OOQSNHSGIHVYGK-MLCYQJTMSA-N 421.310 5.474 0 1 HKAF Cc1ccc(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587794277 LQBYAZMAPRMSIC-LRTDBIEQSA-N 414.322 5.219 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(C2CCCCC2)N1 587817653 DGILRFITYNFVGD-WAIKUNEKSA-N 416.378 6.141 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C=O)cc3)cc2)N1 587817769 AYHDWOLEEAOQPB-FATZIPQQSA-N 424.313 5.691 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(-c3ccccc3)s2)N1 587854195 QJHUVHTZVUISEA-ZMZPIMSZSA-N 403.320 5.335 0 1 HKAF Cc1nc2scc(C3CC3)n2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587858141 YDBTXNMMNNHSSV-XYZCENFISA-N 420.351 5.107 0 1 HKAF COc1c(Cc2cccc3ccccc23)cc(O)n1-c1c(N)cccc1Br 587935572 CGJZVPIHRDFPIH-UHFFFAOYSA-N 423.310 5.280 0 1 HKAF O=C1CCC(c2ccccc2)(c2nc3cc(Cl)cc(Br)c3[nH]2)CC1 587971056 RRPSUNIPHMNHMG-UHFFFAOYSA-N 403.707 5.408 0 1 HKAF COc1ccc(Cc2nnc(Nc3cccc(C(F)(F)F)c3)c3ccccc23)cc1 653737535 BXMLQWNGBUZEGN-UHFFFAOYSA-N 409.411 5.992 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(c1ccccc1F)C1CC1 961777890 OSVQRKMMKCRGNC-SANMLTNESA-N 422.544 5.631 0 1 HKAF Cc1ccccc1[C@@]1(C2CCCCC2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962728728 FVISOEDQVNKWKD-FYYLOGMGSA-N 401.472 5.465 0 1 HKAF CCNC(=O)c1cccc(-c2ccc([C@@H]3N[C@H](CC)Cc4c3[nH]c3ccccc43)cc2)c1 962946893 MDQNAMAQPLAIAX-GJZUVCINSA-N 423.560 5.598 0 1 HKAF COc1ccc2c(c1)[C@](c1ccccc1Cl)(c1ccccc1OC)N[C@@H]1CC[C@@H]21 962992511 GXTGUUKGNXNOHO-UODBTFMRSA-N 405.925 5.498 0 1 HKAF C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)[nH]nc3c2)c1 1772645490 IYGXZGSRAHSLRJ-FYNQTRFASA-N 421.500 5.559 0 1 HKAF CC(C)(C)O[C@@H](C(=O)O)c1c(-c2ccccc2)nc(-c2ccccc2)c2ccccc12 1857569453 AKUAHLTULWSBQO-RUZDIDTESA-N 411.501 6.510 0 1 HKAF Cc1noc(C)c1-c1cc(-c2c(-c3ccccc3)n[nH]c2C)c2[nH]c(C3CC3)nc2c1 1857617351 GTZMEWNUTRBLDF-UHFFFAOYSA-N 409.493 6.078 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CC(=O)O)CC[C@@H]32)C1 2356312495 COSNVBYTQXPMFE-LWSOBGJWSA-N 402.575 5.608 0 1 HKAF CC1=C[C@H](CNC2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(Cl)cc2[nH]1 2356407963 QMTNRNUKMQSYCV-UEXGIBASSA-N 416.009 5.382 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1[C@H](O)CC[C@]2(C)[C@@H]1CC[C@H]2[C@](C)(O)CCCC(C)C 2356615792 KTYZDHZUHRTLRD-IAEDMQEOSA-N 416.646 6.014 0 1 HKAF COC(=O)c1ccc2[nH]c3cccc(/C(=C/c4ccccc4)c4ccccc4)c3c2c1 15974649 USEBAHKPIGXXDM-HAVVHWLPSA-N 403.481 6.697 0 3 HKAF CC(C)c1ccc(CN2CC[C@@]2(C)C(=O)Nc2cccc(Oc3ccccc3)c2)cc1 61927255 BLWYCQKWXUTONH-MHZLTWQESA-N 414.549 6.205 0 3 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cc(F)ccc1F)Oc1ccccc1-3 12404507 ZVALABNDJZPNNC-QRVIBDJDSA-N 401.456 7.130 0 1 HKAF CCCCc1ncc(/C(=C/C(=O)O)Cc2ccccc2)n1Cc1ccccc1Cl 13728109 NYFJCSOZPSTSDE-HMMYKYKNSA-N 408.929 5.638 0 1 HKAF CC(=O)Nc1ccc2cccc(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2n1 14974114 WQDDBWMJCNRULN-UHFFFAOYSA-N 424.382 5.461 0 1 HKAF COc1ccc2c(O)c([C@H](C)/C(C)=C/C/C=C(\C)Cc3cc(C)co3)c(=O)oc2c1 15219217 BPQMZQHENRZFOK-MRLFGDPQSA-N 408.494 6.038 0 1 HKAF biogenic,in-vitro O=C(O)CC[C@@H](Cc1cccc(OCc2ccc3ccccc3n2)c1)c1ccccc1 26675572 UZXVBSXBLGXEIU-QHCPKHFHSA-N 411.501 6.005 0 1 HKAF Cc1cccc(C)c1NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 26954806 QAHXIOGYJOSPBU-KQSNQFLJSA-N 420.597 5.155 0 1 HKAF COc1ccc(-n2nc(C[C@@H](C(=O)O)c3ccccc3)cc2-c2ccc(C)cc2)cc1 28962722 AJZJWUXUPSJUGO-XMMPIXPASA-N 412.489 5.267 0 1 HKAF CCCCCCOc1c(OC)cc(N[C@@H](C)CCCN)c2nc(OC)cc(C)c12 29468104 PUYIHGGWIBSWBQ-KRWDZBQOSA-N 403.567 5.059 0 1 HKAF CCCN1C(=O)c2ccccc2[C@]1(OCc1[nH]cnc1C)c1ccc(C(C)(C)C)cc1 35064431 PNNAWUIWZKMLQK-AREMUKBSSA-N 417.553 5.299 0 1 HKAF CCCCC/C=C\C/C=C\CCCCCCCc1cc(O)cc(O)c1OC(C)=O 36401114 JAMQFDQVIRENDO-NQLNTKRDSA-N 402.575 6.989 0 1 HKAF biogenic,in-vitro O=C1NC[C@@H](c2ccc(F)cc2)C12CCN(C1(c3ccsc3)CCCCC1)CC2 38147571 ZFWIKPCQHDKTBY-NRFANRHFSA-N 412.574 5.042 0 1 HKAF COc1cc(-c2c(C)cccc2C)nc2c1[C@@H](N(C)c1c(C)cccc1C)CCC2 40413371 RSGJNMHEDWRJJK-QHCPKHFHSA-N 400.566 6.505 0 1 HKAF Fc1cc(-c2nnc3n2N=C(c2ccc(Cl)cc2)CS3)c(Cl)cc1Cl 45284923 SWVUTDGNXSDLAF-UHFFFAOYSA-N 413.692 5.403 0 1 HKAF CCCN(C(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1)c1ccc2cc[nH]c2c1 53297937 VTUGOOXWWOIQNC-IBGZPJMESA-N 410.517 5.946 0 1 HKAF CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(/C=C/c3ccccc3)ccc21 58576114 MLWGDFBBAVXEAS-NRXURXQESA-N 401.525 6.112 0 1 HKAF Cc1cccc(-c2c(-c3ccc4ncccc4c3)cnn2CC(=O)Nc2ccccc2)n1 71316276 AWHUTILDYNQNBM-UHFFFAOYSA-N 419.488 5.107 0 1 HKAF CC1=Nc2ccc(Cl)cc2[C@@H](c2cccc(Cl)c2)N1CCN1CCCCC1 72123409 ILPZCLKVHPCMFM-JOCHJYFZSA-N 402.369 5.934 0 1 HKAF FC(F)(F)c1ccccc1Oc1nc(C(Cl)(Cl)Cl)nc2ccccc12 72179197 QEZHVQHAKJHZGZ-UHFFFAOYSA-N 407.606 6.268 0 1 HKAF COc1ccc(-c2[nH]c3ccccc3c2Sc2cc(OC)c(OC)c(OC)c2)cc1 95597393 PDFRWRGPNDGOIC-UHFFFAOYSA-N 421.518 6.021 0 1 HKAF C[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3[C@]23CCN(CC2CC2)[C@H](C4)[C@H]13 100799786 KVTPARWKGZYKAU-SMPWIDCWSA-N 412.533 5.019 0 1 HKAF COc1ccc(Cc2cc([C@H]3[C@@H](c4ccc(Cl)cc4)C[C@H]4CC[C@@H]3N4C)on2)cc1 169290869 XSHISTSQXDXEMK-SRTADBNSSA-N 422.956 5.661 0 1 HKAF CC(C)NC[C@@H](O)COc1c(C(C)(C)C)cc(Oc2ccccc2)cc1C(C)(C)C 169318906 AAZOIYUMCYAANH-LJQANCHMSA-N 413.602 5.812 0 1 HKAF COc1cc(N[C@H](C(=O)c2c[nH]c3ccc(F)cc23)c2ccccc2)cc(OC)c1 205172935 FEFLNCSFQIYLEB-QHCPKHFHSA-N 404.441 5.360 0 1 HKAF Cc1cc(CNc2c(C)ccc(OCC(=O)O)c2C)c(F)c(-c2cccc(F)c2)c1 218876759 DBLPFYSZBJWSQE-UHFFFAOYSA-N 411.448 5.633 0 1 HKAF COCCCn1c(-c2ccccc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1C 221032847 ZEDDGZWEXLQCBC-UHFFFAOYSA-N 416.443 5.771 0 1 HKAF CC[C@H](C/C=C(\C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 255219082 HZYXFRGVBOPPNZ-JBNWNHSKSA-N 412.702 7.945 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3C(=CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@@H]1C[C@@H]3O 257430034 GVYKPOLJSCOPHA-NQFKXIEYSA-N 414.674 6.670 0 1 HKAF endogenous,in-man Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ncc(Br)c(C)c3[nH]2)cc1 586879288 NNRYXTBJOQQYTI-UHFFFAOYSA-N 422.282 5.369 0 1 HKAF CCCOc1cc2[nH]c(-c3oc4c(c3C)[C@@H](O)CCC4)nc2cc1Br 586905131 HHDNGEKXUIBNJO-AWEZNQCLSA-N 405.292 5.052 0 1 HKAF Cc1ccc(SCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(C)c1 586963836 ROAPKFFRGKFUOB-UHFFFAOYSA-N 415.278 6.253 0 1 HKAF CC(C)(C)c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586984047 BTOCETHJCNLLLK-HXUWFJFHSA-N 412.375 5.808 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(C[C@@H]4OCCc5ccsc54)[nH]c3c2)cc1 587035492 QRTZCNSDQJYEBL-FQEVSTJZSA-N 420.490 5.060 0 1 HKAF Clc1ccc(Cl)c(-c2ccc(-c3nc4cc(Br)ccc4[nH]3)o2)c1 587052103 YWRRHLCWUQXVDQ-UHFFFAOYSA-N 408.082 6.559 0 1 HKAF COc1cccc(-c2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c(Cl)c2)c1 587052359 PORIQEYRIFOFQB-UHFFFAOYSA-N 403.696 6.866 0 1 HKAF CN(C)CCOc1ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c1 587063098 OHTCVADBZOCKSN-UHFFFAOYSA-N 405.929 5.415 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc3c(cc2[nH]1)OCCO3 587072693 UWLHHWGHGPASCT-WXJAZLCTSA-N 415.320 6.007 0 1 HKAF Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cnncc3[nH]2)cc1 587077918 ZJPHALKGEPUPDT-RVDMUPIBSA-N 409.880 5.708 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(Cc5ccccc5)cc4)nc13)-c1ccccc1C2=O 587099559 MSPBEAJUXHEPQR-UHFFFAOYSA-N 411.504 7.012 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc5c(c4)C(C)(C)CCS5)nc13)-c1ccccc1C2=O 587102070 OTZQGUNIHIZLBW-UHFFFAOYSA-N 421.565 7.195 0 1 HKAF Cc1nn2c3ccccc3n(C)c2c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105496 BIFAJRBAGWFXSA-UHFFFAOYSA-N 414.468 5.561 0 1 HKAF Cc1cc(Br)cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 587129193 SWDLMSJKVLROLN-UHFFFAOYSA-N 420.282 6.362 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 587327613 HEXNLWUEGPCWPV-UPVQGACJSA-N 408.856 5.775 0 1 HKAF COc1cccc(-c2cc(-c3cccc(Cl)c3F)nc3c2oc2ccccc23)c1 587360975 SKTWFVJXPPPLQB-UHFFFAOYSA-N 403.840 7.116 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1OCc1ccc(C)cc1)[C@@H](C2)C3=O 587441734 HCQDNFCLVFVXGJ-NBGIEHNGSA-N 416.473 5.080 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](c3ccccc3)C[C@@H]1C(=O)OCC)CC2=O 587482510 UDXJPIBCQCIOLD-KAWPREARSA-N 422.521 5.196 0 1 HKAF C[C@@]1(c2ccc(Cl)cc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587501709 JRGSNKXQWOSVBP-FQEVSTJZSA-N 405.719 5.862 0 1 HKAF C[C@@]1(c2ccc(OCc3ccc(F)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587503414 FEKQJEBFNPQHPY-MHZLTWQESA-N 416.492 6.164 0 1 HKAF O=C1C[C@H](c2ccc(Sc3ccc(Cl)cc3)nc2)Oc2c1ccc1c2CCCC1 587534406 YZRVXIBQCABTEQ-JOCHJYFZSA-N 421.949 6.472 0 1 HKAF CCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587541554 FPZALQTWVBNSMD-OFNKIYASSA-N 410.853 5.537 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc(Cl)cc1 587551539 GPLRXQDEPRCCPU-XUZZJYLKSA-N 417.848 5.539 0 1 HKAF O=C(O)c1cccc2c(CCCCc3nc4ccccc4[nH]3)c(C(F)(F)F)[nH]c12 587638494 YYSOUFYYUVHEJQ-UHFFFAOYSA-N 401.388 5.327 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2N)(C2CCCC2)N1 587745285 DZZNJFAZDCGCQG-YEJXKQKISA-N 403.339 5.138 0 1 HKAF Cc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587756505 RRCPJUQLVMYWCZ-OYHNWAKOSA-N 413.334 5.619 0 1 HKAF Fc1cnc(Br)c2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc12 587783761 GVRHOCDAXOFPQE-FLIBITNWSA-N 424.273 5.609 0 1 HKAF CCOc1ccc(OCC)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587799728 CENNHEUWJDOBMF-ODXCJYRJSA-N 408.311 5.009 0 1 HKAF Cc1ccc([C@]2(c3ccco3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587825535 AMSZCPKOVBLEEN-QRQCRPRQSA-N 414.318 5.624 0 1 HKAF Cc1oc2ccc(O)cc2c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587826647 FYGQWOQCJBSGRC-CFMSYZGJSA-N 404.279 5.146 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccccc3)s2)N1 587850536 ZSNOWZWBGZMKIA-ASSNKEHSSA-N 416.359 6.114 0 1 HKAF Cc1nc(-c2ccccc2)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587850978 HDUXGFSNQCOVOD-JEOXALJRSA-N 417.347 5.644 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccccc3)cs2)N1 587853482 NLAOBNYAFJJOON-ADLMAVQZSA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncccc1C(F)(F)F 587855780 RPWHSMDKTWQLCQ-UHFFFAOYSA-N 402.203 5.659 0 1 HKAF COc1ccc([C@H](c2ccccc2)c2nc3c(F)cnc(Br)c3[nH]2)cc1 587935710 IPRQUIBGNFIDFK-INIZCTEOSA-N 412.262 5.048 0 1 HKAF CCNCc1ccc(-c2cc(OCC3CCNCC3)cnc2-c2ccc(C)cc2)cc1 653686881 ASBGZWKSHORKFW-UHFFFAOYSA-N 415.581 5.212 0 1 HKAF Fc1cccc2c1[C@](CCC1OCCCO1)(c1ccccc1Cl)N1CCC[C@H]1C2 963098509 IERJVOAAMUFGSJ-UUOWRZLLSA-N 415.936 5.286 0 1 HKAF CCSc1ccc([C@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)c(Cl)c1Cl 963102452 KFGOWXOOQJDDGK-VFNWGFHPSA-N 410.385 6.529 0 1 HKAF Cc1ccc(-n2nc(C)c3c(F)cc(-c4ccc([C@H]5C[C@@H]5C(=O)O)cc4)cc32)cc1 1772579675 ZMCNELJSMCAETB-RTWAWAEBSA-N 400.453 5.637 0 1 HKAF COc1ccc2c(CN3CCC(F)(F)[C@H](CCc4cccc(F)c4)C3)c[nH]c2c1 1772581347 ICIDWBNJZJKQGA-GOSISDBHSA-N 402.460 5.406 0 1 HKAF C[C@@H](N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cccc2ccccc12 1857536364 WIYDYKWLBJKUNO-SJLPKXTDSA-N 400.444 5.668 0 1 HKAF Cc1noc(C)c1-c1ccc2c(Nc3ccc(Cl)cc3)nn([C@H]3CCCCO3)c2c1 1857566556 KWFCRALYSFDVKS-OAQYLSRUSA-N 422.916 6.404 0 1 HKAF CCCOc1ccc(-c2cc(OCCN3CCCCC3)c3cccc(OC)c3n2)cc1 1857632872 SJXFTYNYYDZXLD-UHFFFAOYSA-N 420.553 5.564 0 1 HKAF COc1ccc(Nc2cc3oc(-c4ccc(Cl)cc4)nc3c3ccccc23)cc1 1857747694 LSBCJIMSSDDINS-UHFFFAOYSA-N 400.865 7.054 0 1 HKAF CC(=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@H](CO)CC[C@]4(C)[C@@H]3CC[C@@]12C)[C@@H](C)C(C)C 2356379119 IMPDGJJMUUPFGN-ZTUWVHCMSA-N 414.718 7.738 0 1 HKAF CC(CC(=O)CC(C)C)=C1CC[C@@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@@]4(C)C3=CC[C@]12C 2356423038 LVHAXINBKWVAEE-IVUIHYQLSA-N 414.630 5.603 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC=C2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C)C(C)C 2356477936 MYQAIYGVAHDZRD-BOBZEBADSA-N 408.670 7.641 0 1 HKAF CC[C@H](CC[C@H](C)C1=CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C)C(C)C 2356490172 YZASEYYDJZZZHQ-FJMKZUGRSA-N 412.702 7.945 0 1 HKAF Cc1ccccc1NC(=O)N1CCC[C@@H](c2nc(-c3ccc(C(C)C)cc3)no2)C1 1360210 OXYAMOHMZYVUQJ-HXUWFJFHSA-N 404.514 5.580 0 3 HKAF CCC(C)(C)NC(=O)Nc1nc2ccc(C(=O)Nc3c(C)cccc3C)cc2s1 13534042 UPTYHDJJCYEFRT-UHFFFAOYSA-N 410.543 5.476 0 1 HKAF CCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12 13583102 MOFYZEYIRXKTQI-UHFFFAOYSA-N 403.357 5.946 0 1 HKAF OCCCCCCCCCCCCCCCCCCCCCCCCCCCO 15269257 OFGMTSUGEYMPLE-UHFFFAOYSA-N 412.743 8.724 0 1 HKAF biogenic Cc1cc(C)cc(-c2c(OCCCN3CCCCC3)c3ccc(Cl)cc3[nH]c2=O)c1 26579012 LQDGVDRCCIKVPU-UHFFFAOYSA-N 424.972 5.720 0 1 HKAF CC(C)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CC[C@H]1CC(=O)O 29053843 DOSUNTLXOHFGFH-ZDUSSCGKSA-N 417.933 6.670 0 1 HKAF Cc1cc(Nc2ccc(OCC(C)C)c(OCC(C)C)c2)c2c(ccc3[nH]cnc32)n1 39214859 YNNQCRLUKGKOHY-UHFFFAOYSA-N 418.541 6.233 0 1 HKAF CC1(C)CCC[C@@]2(C)[C@H]1CC=C1C[C@]3(C)CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC[C@@H]12 59779670 NIALLGCBSYYMNQ-GFZHKUMGSA-N 410.730 9.198 0 1 HKAF biogenic,in-vitro CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccc(Cl)c1Cl 66103035 CQCWBMHCMIEWCL-INIZCTEOSA-N 412.114 5.454 0 1 HKAF CCS(=O)(=O)c1ccc2[nH]c(C(F)(F)c3ccc(-c4ccccc4)cc3)nc2c1 95595218 RJWPSADBPHPZQU-UHFFFAOYSA-N 412.461 5.164 0 1 HKAF COc1ccc(N[C@H](c2ccccc2Cl)c2c(C)[nH]c3cc(C)ccc23)cc1OC 103244848 MECVKCZZYMNOSX-RUZDIDTESA-N 420.940 6.657 0 1 HKAF COc1cc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)ccn1 148319813 FHVFZRUFTUAPMD-UHFFFAOYSA-N 422.444 5.052 0 1 HKAF CC[C@@H](c1ccccc1)[C@@H]1C(=O)CC(Cc2ccccc2)(Cc2ccccc2)OC1=O 169715012 SVKAWNDHMZZVIH-AZGAKELHSA-N 412.529 5.537 0 1 HKAF CCCCC[C@H](CC(=O)O)c1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@H](C)[C@H](C)C2=O 198333800 AOXPJDCNCHHXBI-RRFJBIMHSA-N 416.514 5.315 0 1 HKAF CCc1ccc(-c2nc3ccc(-c4nn[nH]n4)cc3nc2-c2ccc(CC)cc2)cc1 205087707 ADTJSJMCJKPBFA-UHFFFAOYSA-N 406.493 5.269 0 1 HKAF O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cc(F)ccc2F)cc1 205311424 MWCNLMDSTPCHAP-UHFFFAOYSA-N 424.878 5.663 0 1 HKAF C[C@H](c1cc(O)c2c3c(c(=O)oc2c1)CC[C@@H](C)C3)[C@H](C)CCc1ccc(F)cc1 299849563 LEEMUPFGEQLFDT-ZACQAIPSSA-N 408.513 6.135 0 1 HKAF CCc1ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1Br 586977955 SSHILVFCJFHTKR-UHFFFAOYSA-N 415.516 5.366 0 1 HKAF Cc1ccc2c3c(cc(CCc4ccc(Cl)c(Cl)c4)nc13)-c1ccccc1C2=O 586993416 NFLPBWVNWLOECN-UHFFFAOYSA-N 418.323 6.847 0 1 HKAF Cc1nc(COc2cccc(-c3nc4ccc(Br)c(C)c4[nH]3)c2)cs1 587020011 BPVLFJXUDUGHFH-UHFFFAOYSA-N 414.328 5.645 0 1 HKAF c1ccc(-c2csc(Nc3cccc(-c4nc5ccc6c(c5[nH]4)CCCC6)c3)n2)nc1 587021525 OTIKHNJREWVIEG-UHFFFAOYSA-N 423.545 6.371 0 1 HKAF Cc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Cl 587025146 DXSFGOQEHLMLQT-YSGRDPCXSA-N 413.974 5.661 0 1 HKAF Cc1ccc(C)c2[nH]c(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCC4)nc12 587030519 GFQRPVORFWFUGY-UHFFFAOYSA-N 421.953 6.303 0 1 HKAF CCCCOc1cc2nc([C@H]3Cc4ccccc4S3)[nH]c2cc1Br 587043134 PAZBBOZLKSMYJW-GOSISDBHSA-N 403.345 5.894 0 1 HKAF Cc1cnc(Cl)c2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc12 587068622 WDOOQDFNLVOGBS-UHFFFAOYSA-N 410.264 5.686 0 1 HKAF CCCCOc1cc2nc(-c3ncccc3C(F)(F)F)[nH]c2cc1Br 587108705 PSBRYYHKDDIASV-UHFFFAOYSA-N 414.225 5.585 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cnc(-c4ccc(Cl)cc4)s3)nc3cccc1c23 587208337 QHRWDDUVNGBDGU-UHFFFAOYSA-N 424.912 6.890 0 1 HKAF CCCCCCc1c(-c2ccc(CCOC(C)=O)cc2)nc2cccc3c2c1CC3 587212873 WJDIMFIHWMCWHB-UHFFFAOYSA-N 401.550 6.229 0 1 HKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587241355 BIFMKEMESXQKSE-UHFFFAOYSA-N 415.562 6.756 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccccn2)(C2CCCCC2)[C@@H]1c1ccc(F)cc1 587341377 WLGWVSZCMPCVOC-AOYPEHQESA-N 417.480 5.761 0 1 HKAF CCCCC[C@@]1(c2cn(C)nc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343680 URHZIIKKJWDAAI-NOZRDPDXSA-N 422.500 5.408 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(c1ccccc1OC)CC2=O 587477660 HYXSAOLJKZSRPT-SANMLTNESA-N 418.489 5.271 0 1 HKAF O=C1C[C@@H](c2ccc3c(Br)ccc(O)c3n2)Oc2c1ccc1c2CCCC1 587499780 VELGTIUNUMCZOK-FQEVSTJZSA-N 424.294 5.288 0 1 HKAF CCOc1ccc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(Cl)nc2c1 587501349 RXSKSLXEYWSXNI-JOCHJYFZSA-N 407.897 5.872 0 1 HKAF CC(C)OC(=O)Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587516981 YPLGPDTWHVYCMN-XMMPIXPASA-N 417.505 5.178 0 1 HKAF CCOC(=O)C[C@@]1(c2ccc(Cl)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587531095 JNQXFQJKJUBVJK-OAQYLSRUSA-N 404.915 5.094 0 1 HKAF C[C@]1(Cc2cc(Cl)cc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544570 FLIBWTDUFYHFCD-DENIHFKCSA-N 415.272 5.662 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccs2)cc1F 587553283 GGQLWLAHIAVHSV-XUZZJYLKSA-N 418.445 5.963 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccsc2)n1 587610271 FJGYOEWAICIAPY-XLIONFOSSA-N 407.472 5.280 0 1 HKAF Cc1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587678279 KFLQVMAJPITSFD-BTDLBPIBSA-N 413.128 5.283 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(O)c(Cl)c2)N1 587692794 LQNFXIZDCUCLHO-MLXNANBUSA-N 405.094 5.224 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)ccc2Cl)N1 587698151 YIUGFDCITQEFTP-JEOXALJRSA-N 410.758 6.163 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ccc(Cl)c2Cl)N1 587699846 XTJADAMFTRQHKZ-HYORBCNSSA-N 423.540 6.172 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccc(C(F)(F)F)cc2)N1 587709720 AQBCRZAWMMUJOP-ZBEGNZNMSA-N 416.256 5.815 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2N)(C2CCCC2)N1 587745604 GCXGHOGVKHCEEH-ASSNKEHSSA-N 403.339 5.138 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2CN2CCCCC2)N1 587766260 MWZJTYURZPLDQF-IVZQSRNASA-N 417.366 5.198 0 1 HKAF COc1ccc(C)cc1C(=O)CCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587787340 OJDDEOJOEPCAES-UHFFFAOYSA-N 412.795 5.247 0 1 HKAF CCOC(OCC)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587794704 PINHBNPCAWXSEE-RNODOKPDSA-N 422.338 5.283 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2)(C2CC2)N1 587815522 NIINRMHCUHGOCC-YEJXKQKISA-N 402.307 5.001 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(Br)c2)N1 587850423 YVXFAQGRAJSSHX-WJWGPLDTSA-N 405.130 5.036 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cscc2Br)N1 587856185 WQPLZBGWBQRTOZ-GLEZIHRCSA-N 419.157 5.210 0 1 HKAF O=C(OCc1ccccc1)N1CCO[C@H](c2nc(-c3cccc(Cl)c3)cs2)C1 587920413 KDCHPCKDQXRWTH-IBGZPJMESA-N 414.914 5.174 0 1 HKAF COC(=O)c1cc(Cl)c2nc(-c3ccc(-c4ccc(OC)c(OC)c4)cc3)[nH]c2c1 587928462 FMVXMOJKFVOWQC-UHFFFAOYSA-N 422.868 5.354 0 1 HKAF COc1ccc(C2(c3nc4c(C)c(Br)cnc4[nH]3)CC3(CCC3)C2)cc1 587938397 WHTFBZQICMQVOC-UHFFFAOYSA-N 412.331 5.288 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@@]1(c1ccccc1)c1cccc(F)c1 962378523 YRTZXMXAVMHEKN-RUZDIDTESA-N 402.538 5.576 0 1 HKAF CCC(C)(C)[C@@]1(c2cc(F)cc(F)c2)c2ccsc2CCN1Cc1cccnc1 963012023 PIFSBFQSMNYTHW-XMMPIXPASA-N 412.549 6.159 0 1 HKAF C[C@@]1(c2cccc(-c3ccc(C(=O)O)c(F)c3)c2)c2c(F)cccc2C[C@H]2CCCN21 963098472 HAFCOZIOTVRVPM-FQRUVTKNSA-N 419.471 5.614 0 1 HKAF COc1cc(/C=C/C(=O)Nc2ccccc2)ccc1OCCCCCCN1CCCC1 1772632991 XYELBLVOUGSOOD-JQIJEIRASA-N 422.569 5.382 0 1 HKAF Cc1nc2ccc(C3CCOCC3)cc2c(=N[C@H](C)c2cccc(C(F)(F)F)c2)[nH]1 1857553903 DVJFJLGTSVPZRY-CQSZACIVSA-N 415.459 5.446 0 1 HKAF Cc1cccc(Cl)c1C(=O)c1cn(-c2ccc(C(=O)O)cc2)c2c(F)cccc12 1857565849 YWKQWQPXUJFBNY-UHFFFAOYSA-N 407.828 5.661 0 1 HKAF CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc(NC(=O)C3CCCCC3)cc2)cc1 1857574644 MLNYLAOHNCLUQX-UHFFFAOYSA-N 415.555 5.271 0 1 HKAF Cc1c(C)c2ccc(OCC3CCN(Cc4ccc(Cl)cc4)CC3)cc2oc1=O 1857592065 ASIQZNFJHMDGEK-UHFFFAOYSA-N 411.929 5.354 0 1 HKAF O=C(CCCN1CCC(O)(c2ccc(Cl)c(Cl)c2)CC1)c1ccc(F)cc1 1857596483 NURQFGFJWUREMG-UHFFFAOYSA-N 410.316 5.079 0 1 HKAF Cc1cc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc(C(F)(F)F)c1 1857603706 NFHYRDLQVJCKIG-UHFFFAOYSA-N 401.388 5.195 0 1 HKAF Cc1cc(C)c(-c2c[nH]nc2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 1911585021 ZFZXCQAHEJXMGW-UHFFFAOYSA-N 412.493 5.228 0 1 HKAF CC(=O)O[C@@H]1CC(=CC[C@]2(C)[C@H](C)CC[C@]3(C)C(C)=CCC[C@@H]32)[C@@H](OC(C)=O)O1 2356404007 ZREAIEZMYZQUFC-DQXOSHBWSA-N 404.547 5.300 0 1 HKAF CCCCC[C@H](O)C=CCCCC[C@@H](CCN)[C@@H](CCc1ccccc1)CC(=O)O 2356452402 OAKLHQCYJTXQSN-SDHOMARFSA-N 417.634 5.733 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@H](OC(=O)C=C(C)C)[C@]2(C)[C@H]1C 2356568292 JKNRDFAUDFWMHQ-KMVJVCBCSA-N 414.542 5.625 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]45C[C@@]35CC[C@@]12C 2356615916 PHXROWPRWPUNFG-HARNZUQYSA-N 424.713 8.089 0 1 HKAF COc1cc2c(c(O)c1CC=C(C)C)C[C@@H](c1ccc(O)c(C=CC(C)C)c1O)CO2 2356667099 HWJXKLRHGKKFBY-QGZVFWFLSA-N 424.537 5.709 0 1 HKAF CC(C)[C@@H]1CCN[C@@H]1C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](N)C=CC[C@]4(C)[C@@H]3CC[C@]21C 2356797567 OCPRMTDWHSHOAF-DIWIUVBOSA-N 424.717 6.329 0 1 HKAF O=C1[C@H](n2ccc3ccccc32)c2ccccc2N1Cc1ccc(C(F)(F)F)cc1 206025510 RAVQIUKNXVCFQY-JOCHJYFZSA-N 406.407 5.796 0 3 HKAF C[C@H]1[C@@H](NC(=O)Nc2cc(Cl)cc(Cl)c2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 206045331 SQZWAJGZEVVPAA-HTRFZCGXSA-N 424.372 5.075 0 3 HKAF CCCCCCN(C=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 3799359 GMEAODWEIDSCAS-LMZXXRHXSA-N 416.650 5.257 0 1 HKAF CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCCC 4213772 WXTHNSQYEFGFAK-DQEYMECFSA-N 406.570 6.284 0 1 HKAF O=C(O)c1cccc(-c2ccccc2-c2cc(Cl)ccc2OCC2CCCC2)n1 35969967 RTRATFVOCQYCIE-UHFFFAOYSA-N 407.897 6.336 0 1 HKAF CC(=O)N1CCC[C@H]1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(F)cc1 42965766 OIZKPYIQKNUEHR-QFIPXVFZSA-N 416.456 5.240 0 1 HKAF N=C(N)c1cc2cc(-c3cccc(O[C@@H](C(=O)O)c4ccc(F)cc4)c3)ccc2s1 45366982 KKHYPTNPVYXQNR-OAQYLSRUSA-N 420.465 5.196 0 1 HKAF CC(C)[C@@]1(c2cccs2)OCC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21 45498425 HRSBVEZDEVRRFG-JOCHJYFZSA-N 415.917 6.076 0 1 HKAF CC(C)=CC[C@@H]1Cc2c(cc(O)c3c2O[C@H](c2ccc(O)cc2O)CC3=O)OC1(C)C 59777477 CYGYKDZFDJECKM-SZNDQCEHSA-N 424.493 5.196 0 1 HKAF biogenic O=c1c(Oc2ccc3c(c2)CCC3)c(Cl)cnn1Cc1cccc2ccccc12 73351380 PKKJDLDSXQFFIE-UHFFFAOYSA-N 402.881 5.379 0 1 HKAF Cc1ccc(CNc2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccc(F)cc3)n2)o1 82136249 OXIUJFQMXBLLIP-QVKFZJNVSA-N 422.504 5.105 0 1 HKAF CC[C@@H](C)Nc1ncc(C(=O)N2CCCC2)c(-c2ccc(-c3ccccc3)cc2)n1 82159348 BCPZONWGXCVXHT-GOSISDBHSA-N 400.526 5.257 0 1 HKAF COCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccc(-c3ccccc3)cc2)n1 82176962 FVYZFRBLOTUSOO-UHFFFAOYSA-N 416.550 5.609 0 1 HKAF CC[C@H](C)Cn1c(-c2ccc(C)o2)nc2c(NCCCc3ccccc3)ncnc21 82179950 KPHZLANZHCFNFV-KRWDZBQOSA-N 403.530 5.486 0 1 HKAF CC[C@@H](C)Cn1c(-c2cccnc2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181220 ZYRZWGUUWHVBFI-OAHLLOKOSA-N 406.921 5.200 0 1 HKAF CCCCCCN(CCCCCC)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 84691009 BNRAKYBTSLDSJY-UHFFFAOYSA-N 417.597 6.900 0 1 HKAF Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)C[C@H]1C=CC(C(F)(F)F)=C[C@H]1C2 84711883 JBCFQFUXKQFWTL-NEPJUHHUSA-N 409.860 5.604 0 1 HKAF CC(C)(C)c1ccc(-c2cccc3cc(-c4ccc(C(=O)O)cc4CN)ccc23)cc1 95602640 SPJCGZSMGZPFAZ-UHFFFAOYSA-N 409.529 6.628 0 1 HKAF C[C@@H](Oc1c(N)ncc2c(-c3cccnc3)coc12)c1c(Cl)ccc(F)c1Cl 96273066 QPCOAMAPVVYBJF-SNVBAGLBSA-N 418.255 6.058 0 1 HKAF FCCc1ccc([C@]2(c3cccs3)C[C@H]3c4ccccc4[C@H]2c2cccc[n+]23)s1 100819804 NMLFXWQVLHDUDJ-GVXSCFBNSA-N 418.582 6.034 0 1 HKAF Cc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2c2cc(Cc4ccc(Cl)cc4)no2)N3C)cc1 101166411 IFMIAYDNKIHTBR-WBJOIXBTSA-N 406.957 5.961 0 1 HKAF CCOC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@H]1c1c(Cl)cccc1Cl 103212741 UTSMBABFEUKUEL-GOSISDBHSA-N 419.333 5.854 0 1 HKAF CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1cscc1C 114610660 AOWPNEHSNGFHED-PDCBNWDTSA-N 414.530 6.400 0 1 HKAF CC(C)c1csc(Nc2ncc(Sc3ccncc3)cc2Oc2ccccc2)n1 115876248 CPUQJZUHAKVNGU-UHFFFAOYSA-N 420.563 6.744 0 1 HKAF C[C@H](CCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@@]21C 142135750 GLXBRGHIMATFKV-ABXCMAEBSA-N 402.663 6.504 0 1 HKAF [C-]#[N+]c1ccc(-c2nnc([C@H](Nc3ccc([N+]#[C-])c(Cl)c3CC)[C@@H](C)O)o2)cc1 143522663 WSWNGIPQCGUZFW-CWTRNNRKSA-N 407.861 5.588 0 1 HKAF CC(C)(C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 169711136 IKAPCPDHWACXJE-TYKWCNGQSA-N 410.602 5.723 0 1 HKAF Cc1nc(C(C)(C)NC(=O)c2ccc(C3CCCC3)c(-c3cccc(Cl)c3)n2)no1 206700818 KBEWCKJQLCDQJT-UHFFFAOYSA-N 424.932 5.416 0 1 HKAF COc1cc(CNc2c(C)ccc(OCC(=O)O)c2C)cc(-c2cccc(F)c2)c1 218865938 FQVLQQVQDTXFNR-UHFFFAOYSA-N 409.457 5.194 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC[C@H]5C(C)(C)CCC[C@]5(C)C4=CC[C@@]3(C)[C@@H]2C1 238770763 GAYMPSVFXABRFZ-ROEJAOJLSA-N 410.730 9.198 0 1 HKAF CC[C@]12CCCN(Cc3ccccc3)[C@H]1c1c([nH]c3ccccc13)[C@@H](C(=O)OC)C2 254143404 IBFSIGFORJKEAJ-OCDQVXHZSA-N 402.538 5.562 0 1 HKAF Cc1cccc(/C=C/[C@](C)(O)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O)c1C 299859048 HHQOSXREVVCAQK-FWMJDOGPSA-N 412.658 6.841 0 1 HKAF O=C(O)c1ccccc1/C=C\c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586880764 RVHUEWVSRVCDRY-WAYWQWQTSA-N 411.177 5.213 0 1 HKAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586963556 OHENSVVBCSHGOX-LLVKDONJSA-N 402.829 5.283 0 1 HKAF Cc1ccc2c3c(c(Cc4ccccc4)c(C(F)(F)F)nc13)-c1ccccc1C2=O 586993141 LRAZJBDIJXDNNN-UHFFFAOYSA-N 403.403 6.364 0 1 HKAF Cc1cc2c(Br)ccc(-c3nc4ccc(Br)c(F)c4[nH]3)c2o1 587003148 FZOVHZYVSQEHOB-UHFFFAOYSA-N 424.067 5.949 0 1 HKAF CSc1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587111045 NKSPRECCVXHHHD-UHFFFAOYSA-N 404.379 6.108 0 1 HKAF FC(F)(F)Sc1ccc(/C=C/c2nc3cc(Br)ncc3[nH]2)cc1 587124648 KSWAZBJSDSJTMF-ZZXKWVIFSA-N 400.223 5.503 0 1 HKAF CC(C)COc1cc2nc(/C=C/c3ccc(F)cc3F)[nH]c2cc1Br 587151470 ZYVIKMIKJQNEEI-GQCTYLIASA-N 407.258 5.809 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3F)nc2c1 587152339 LZSWLVWYCHZUAR-NWDGAFQWSA-N 421.241 5.051 0 1 HKAF Fc1cccc([C@@H]2C[C@H]2c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1F 587152480 OJOPHLXEWBVRDS-DTWKUNHWSA-N 417.175 5.894 0 1 HKAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587175485 SWAMGTKBFSEWSC-IBGZPJMESA-N 402.498 5.577 0 1 HKAF Cc1c(Br)ccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 587220528 SMGZAGKPRRQARK-FQEVSTJZSA-N 420.310 5.153 0 1 HKAF Cc1ccc(CCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1N 587251027 WQPKBDRKOHHEJR-UHFFFAOYSA-N 416.363 5.426 0 1 HKAF O=C1c2ccc(O)cc2OC2(CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)cc1 587338079 SUYZCPWKRGPQMC-WWQKDZJRSA-N 420.455 6.126 0 1 HKAF COc1cccc(-c2cc(-c3ccc(OCC(N)=O)cc3)nc3c2oc2ccccc23)c1 587363496 RVXARUVKPSIQPO-UHFFFAOYSA-N 424.456 5.188 0 1 HKAF C/C=C\Cc1c(CC(=O)OC)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587364120 XDPITLNRRVPGIJ-PLNGDYQASA-N 401.462 5.491 0 1 HKAF Cc1nc(C(C)C)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587371352 BZJOPRFDDOPCHH-WMZHIEFXSA-N 411.498 5.694 0 1 HKAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc(Cl)cc1 587378444 CFYVRVKGNNSSGY-QFIPXVFZSA-N 423.896 5.525 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cc(C(F)(F)F)ccn4)cc1)[C@@H](C2)C3=O 587423641 UOLIMXMJERMIMM-JTSKRJEESA-N 411.379 5.265 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(C(F)(F)F)cc(Cl)nc1Cl)CC2=O 587458744 BAYLBTCUNADBIB-ZDUSSCGKSA-N 420.214 5.772 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1cccc(F)c1)(c1ccc(OC)cc1)CC2=O 587465747 GLXBQIXZOAHCIP-SANMLTNESA-N 420.480 5.596 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Oc1cc(F)cc(F)c1)CC2=O 587466729 MLCHMQULAMHUQX-HSZRJFAPSA-N 410.416 6.122 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1cccc(OC)c1)CC2=O 587480160 NOGBLZOMSPFOCP-SANMLTNESA-N 402.490 5.571 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1coc3ccc(O)cc13)CC2=O 587486450 XSVXJOJGSFMRHR-AREMUKBSSA-N 414.457 5.706 0 1 HKAF CN(C)c1ccc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587503295 NOSFHSGRLLEWND-HXUWFJFHSA-N 400.316 5.100 0 1 HKAF O=C1C[C@](c2ccccc2)(c2cccc3ccccc23)Oc2c1ccc1c2CCCC1 587523959 MKYXEWQIANVVBD-LJAQVGFWSA-N 404.509 6.628 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(Cl)cc1O 587547804 UQLZAIKXIFFWDC-FXAWDEMLSA-N 403.217 5.108 0 1 HKAF Cc1cc(C)c(NC(=O)c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)c(C)c1 587623578 WTDPFYYUFFXSKP-UHFFFAOYSA-N 411.303 5.293 0 1 HKAF Cc1cccc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587753497 JHWPNGFYQSDQLA-JLCFBVMHSA-N 413.334 5.619 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3c(C)c(Br)cnc3[nH]2)c1 587779719 FLJSSLMNAQNJTK-UHFFFAOYSA-N 408.299 5.762 0 1 HKAF CCOc1ccc2nc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 587780231 ZCYXELIBCGVAQP-QKVFXAPYSA-N 415.306 5.159 0 1 HKAF Cc1cc(C)c(C(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587812636 JZFYROPGMZVHCX-OYHNWAKOSA-N 418.350 5.536 0 1 HKAF C[C@@H]1C[C@H](c2ccccc2)C[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587818051 PCLBGBVKTDAWPX-CABRAYNUSA-N 402.351 5.922 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)CCc3ccccc32)N1 587824083 UAWQSZJALPFVMI-RCDICMHDSA-N 402.351 5.729 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(ccc4ccccc43)o2)N1 587834069 PVPHWZQVULSVBA-ZAMGYDSWSA-N 424.313 6.285 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3nccs3)c2)N1 587852390 GCJHDGKTHKMLMN-BBATYDOGSA-N 403.320 5.335 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(F)c(F)cc1Cl 587861080 MJNWUGBMDQCGMP-UHFFFAOYSA-N 416.733 5.198 0 1 HKAF Clc1cccc(-c2csc(COc3ccc(C4SCCS4)cc3)n2)c1 587921519 BFOIUPFWTXJQLO-UHFFFAOYSA-N 405.997 6.521 0 1 HKAF Clc1ncc(Br)c2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 587949562 XAIXORWZHVRHBR-UHFFFAOYSA-N 414.690 5.757 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c(N)ccnc2[nH]1 587959616 MOEVHHSLIQNRBH-RCHUDCCISA-N 418.629 7.394 0 1 HKAF Cc1c(F)ccc2c1[C@](CCc1ccc(Br)cc1)(C1CCCC1)NCC2 962148700 UISVFKAXUHWXOQ-QHCPKHFHSA-N 416.378 6.061 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@H]1C12CC(CC(=O)OC(C)(C)C)(C1)C2 962400133 SNDDQEJLWYLEMR-KHRZNOOSSA-N 412.599 5.088 0 1 HKAF COc1ccc2c(c1)[C@](C)(c1c(C(F)(F)F)cc(C(F)(F)F)n1C)N[C@@H]1CC[C@H]21 962994648 LBYUQTVELZDOMD-CDHAZOANSA-N 418.381 5.184 0 1 HKAF Cc1sc2c(c1C)CCN[C@@]21C=C(Nc2ccccc2)C[C@@H](c2ccccc2)C1 963016920 CVJJJIAGGLOROP-RLWLMLJZSA-N 400.591 6.280 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C[C@@H](C)CC(=O)O)c1ccc(C(C)(C)C)cc1 963243452 SLHGPGVJQKJATI-GTNJKRJXSA-N 421.625 6.385 0 1 HKAF Cc1cccc(C)c1-c1cccc(COC2=C[C@H]3SC(CCC(=O)O)=C[C@H]3S2)c1 1772636814 CNLZRXZDFVSSKZ-NHCUHLMSSA-N 424.587 6.308 0 1 HKAF CC(=O)Nc1ccc(N(CC2CCCCC2)C(C)=O)c(SCC2CCCCC2)c1 1772656723 SMSKADUTJKAPOR-UHFFFAOYSA-N 416.631 6.251 0 1 HKAF C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3cnccc32)C1 1857643137 SSJWXVTYUQWSMN-HXUWFJFHSA-N 424.504 5.240 0 1 HKAF CC(C)[C@@H](CCO)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2356347030 IJSLGIMUXIRGLK-JKDCPBKCSA-N 416.734 8.106 0 1 HKAF CCC1=C[C@](C=Cc2ccccc2)(CC)[C@](CC)(C(=O)O)[C@@H]2[C@H](CC)C(=O)[C@H](CC)[C@H]12 2356417891 PONZNCXOVALNKD-XNEIJENWSA-N 422.609 6.795 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H](CC(=O)O)[C@H]([C@@]3(C)CCCCC3=O)CC[C@]12C 2356419397 QOKGFICMPVDWTL-YFLPUFNESA-N 418.662 7.132 0 1 HKAF CCOc1cccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)N[C@@H](C)C(C)C)c1 774383 UYNCIBSHEHTDJN-INIZCTEOSA-N 408.498 5.190 0 1 HKAF COc1cc(Oc2nc3cc(F)c(F)cc3nc2-c2ccccc2)cc(OC)c1OC 1860288 GPYMWQUCSSLUAF-UHFFFAOYSA-N 424.403 5.393 0 1 HKAF CCCC(CCC)n1c(CC)nc2c1C(=O)N(C)CN2c1ccc(Cl)cc1Cl 3821130 DTMWOWMZYRXNDY-UHFFFAOYSA-N 423.388 6.075 0 1 HKAF c1ccc2c(NCCCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1 13472678 IDIWNMVUKUTAIK-UHFFFAOYSA-N 417.597 5.924 0 1 HKAF CCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C 13474253 LEFMWRMASCQTCY-UHFFFAOYSA-N 422.743 5.948 0 1 HKAF CCCCN(CC)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C 13587330 AAFBEHNXWXLBMK-UHFFFAOYSA-N 420.793 6.418 0 1 HKAF COc1ccc([C@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1OC1CCCC1 13741127 VDCCLROMAGBHQQ-IBGZPJMESA-N 404.510 5.128 0 1 HKAF CC(C)(C)c1ccc2c(c1)C(Cc1ccc(C(=O)O)cc1)c1cc(C(C)(C)C)ccc1-2 13741287 QUDLOYFKQYTZTH-UHFFFAOYSA-N 412.573 7.335 0 1 HKAF Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccc(Cl)c(Cl)c3)nc(N)c12 13756598 DVSGSWIPTYTWPR-CQSZACIVSA-N 411.336 6.213 0 1 HKAF CCCN(CCC)[C@@H]1CCc2c(ccc([C@@H](O)Cc3ccc(Cl)cc3)c2OC)C1 27330559 HWISWHUWIQAPMO-QPPBQGQZSA-N 416.005 5.604 0 1 HKAF CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(OCc2ccccc2)cc1 43062354 UPSWDUIISSYJJJ-XMMPIXPASA-N 404.897 5.617 0 1 HKAF CC(C)c1ccc(CNC[C@H]2CCC[C@H](CNCc3ccc(C(C)C)cc3)C2)cc1 45358700 ZTGFDUNVXFZGCA-UIOOFZCWSA-N 406.658 6.619 0 1 HKAF COc1ccc2cc(Nc3ccc([C@@H](n4ccnc4)C(C)(C)CO)cc3)ccc2c1 72116956 JTSQVNPRXLAENY-XMMPIXPASA-N 401.510 5.396 0 1 HKAF CCCCC/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=O)O 73196247 ZNHWNFMBEPMOOD-HZJYTTRNSA-N 406.695 9.395 0 1 HKAF c1ccc(-c2cnc(-c3cnc(NC[C@@H]4CCCO4)nc3-c3ccco3)s2)cc1 82165690 CLDWFKWVDFRXNU-INIZCTEOSA-N 404.495 5.118 0 1 HKAF CCCCCc1nc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccccc2F)oc1C 82175562 OZPCPJWSESRJKH-KRWDZBQOSA-N 424.520 5.570 0 1 HKAF Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1NC(=O)/C=C/c1cccnc1 84688753 NFUGQQZNDVTAOS-WEVVVXLNSA-N 409.848 5.087 0 1 HKAF CC(C)c1ccc(NC[C@@H](O)COc2ccc3c(c2)OC2(CCCCC2)CC3=O)cc1 95588978 IHBHHGQXYZRUKQ-OAQYLSRUSA-N 423.553 5.330 0 1 HKAF CN(C)Cc1ccc(/C=C/c2n[nH]c3cc(/C=C4/C(=O)Nc5ccccc54)ccc23)cc1 96273690 HCLJFCCORISDCX-NLUXTTPZSA-N 420.516 5.288 0 1 HKAF CCn1c(S(=O)(=O)Cc2ccccc2)nc(-c2ccccc2)c1-c1ccccc1 96915283 WYFHRWYZBQISOY-UHFFFAOYSA-N 402.519 5.211 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1[C@H](C)c1ccc(OC(F)(F)F)cc1 103270568 HJVDPZHVBGLZSD-PBHICJAKSA-N 423.431 5.417 0 1 HKAF NC1(c2ccc(-c3nc4ccc(-c5cnc[nH]5)cn4c3-c3ccccc3)cc2)CCC1 113682376 NRFYHWQUGROXDP-UHFFFAOYSA-N 405.505 5.396 0 1 HKAF Cc1ccc(S(=O)(=O)c2cnc3c(F)cccc3c2-c2ccc(F)cc2)cc1F 115922448 SZYRURGXCSWPPF-UHFFFAOYSA-N 413.420 5.460 0 1 HKAF C[C@H](Nc1ccccc1)[C@H]1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 117307017 XKXGPCJOUDRYIM-RLFYNMQTSA-N 424.894 6.148 0 1 HKAF Clc1ccc2[nH]c(-c3ccc(N4CCC5(CC4)OCc4ccccc45)nc3)nc2c1 169200567 XDTWVURUPDSIJJ-UHFFFAOYSA-N 416.912 5.304 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](OC(=O)c3ccc4ccccc4c3)CCC[C@@]21C 169343675 DSHRCGLWMRSXLA-BBVNWGEHSA-N 420.637 8.044 0 1 HKAF Cn1nc2c(c1Cc1ccccc1)-c1nc(Nc3cccc4ccccc34)ncc1CC2 169702165 MNDLIMJVPBRNCU-UHFFFAOYSA-N 417.516 5.463 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@@H](O)[C@@H](O)[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255218883 HWNMKCKZWVCWCI-JBPZIJMZSA-N 418.662 5.330 0 1 HKAF CC(C)[C@H]1CC[C@@]2(C)[C@H]1C=C[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C 261516141 AZSXWSHKMWOAPJ-PYQRSULMSA-N 410.730 8.910 0 1 HKAF Clc1cc(Cl)cc(-c2nc3ccc(Nc4ccnc5ccccc45)cc3[nH]2)c1 299824033 FTTPYQAFNWYOMV-UHFFFAOYSA-N 405.288 6.829 0 1 HKAF Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccco2)sc1C 299876488 FUNYGCWESFUBLP-ZYRRHWMLSA-N 408.571 5.960 0 1 HKAF Clc1cc(Cl)c(Br)c(-c2nc3cccc(Br)c3[nH]2)c1 586975035 JENVHYCXGJTGJK-UHFFFAOYSA-N 420.919 6.062 0 1 HKAF Cc1ncc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c(C)c1Br 586978942 MCQCWCNBJLKIEM-UHFFFAOYSA-N 417.051 5.045 0 1 HKAF COCCOc1cccc(F)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586995978 OIZYVSMCMDCJPU-UHFFFAOYSA-N 413.448 5.586 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 587013961 DSBMJVHVZILXTF-UHFFFAOYSA-N 409.820 6.214 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc4ccccc4cc3[nH]1)N2 587030927 JUBOICDQGZNVAB-VQIMKDEXSA-N 420.563 5.843 0 1 HKAF Clc1ccccc1-c1ccc(Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 587063600 WZUGWPWCCZPDQK-UHFFFAOYSA-N 410.904 7.266 0 1 HKAF NC(=O)c1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587070054 QJJXSGSFRULIGD-OBGWFSINSA-N 401.897 5.489 0 1 HKAF COc1cc2nc(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)[nH]c2cc1C 587082738 DNEZSAFMKJQCOL-UHFFFAOYSA-N 403.869 6.317 0 1 HKAF Cc1ccc2c3c(cc(CC(=O)C45CC6CC(CC(C6)C4)C5)nc13)-c1ccccc1C2=O 587099277 FETCKIUKJDGGDR-UHFFFAOYSA-N 421.540 6.083 0 1 HKAF Cc1c(Br)ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 587137295 XZUBUTHGRMQXLL-UHFFFAOYSA-N 418.491 5.856 0 1 HKAF Fc1ccc(F)c(SCc2cccc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c2)c1 587140929 JQRSNDHSULNRCI-UHFFFAOYSA-N 422.287 6.502 0 1 HKAF Cc1nn(C(C)C)c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343398 SJIAURFXOSVGRU-LADGPHEKSA-N 408.473 5.200 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 587353300 OPQQJNODYHFQMW-FESMNKHTSA-N 416.492 6.377 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](c2ccc(O)cc2)C3)c1 587367689 ZABQSWUENUAJJQ-SFHVURJKSA-N 421.496 6.635 0 1 HKAF CC(C)[C@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587371829 DLQILRWMRJHQEH-RBBKRZOGSA-N 416.901 6.157 0 1 HKAF COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCc1ccc(F)cc1 587385429 SONWGOPDQYBOOY-JOCHJYFZSA-N 407.441 5.010 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)c(CCc3ccncc3)n3ccccc13)O2 587394247 RSNUQRSMJVWKGH-DEOSSOPVSA-N 411.505 5.025 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OCc4cccc(C)c4)c(F)c1)[C@@H](C2)C3=O 587428492 ZVNALUCPCIKYTQ-RXFWQSSRSA-N 418.464 5.385 0 1 HKAF CCCc1sc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Br 587454423 YKEYPTXRSMDRDA-CWTRNNRKSA-N 407.329 5.135 0 1 HKAF O=C1C[C@H](c2cccc(OCc3cccc(Cl)c3)c2)Oc2c1ccc1c2CCCC1 587503399 UIQSKIPMOAOHSU-RUZDIDTESA-N 418.920 6.504 0 1 HKAF CC(C)(C)c1nn(Cc2ccccc2)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513578 CKVDSFSVEPRWKC-XMMPIXPASA-N 414.549 5.814 0 1 HKAF O=C(O)c1cccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)c1 587530526 FQNKARXOTCXKCV-HXUWFJFHSA-N 404.487 5.699 0 1 HKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1C(F)(F)F 587549769 ROHRSFWBPDYLCT-GHTZIAJQSA-N 400.352 5.422 0 1 HKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)c1OC(F)F 587554145 HQMNQRALZIHYFE-AVRDEDQJSA-N 412.388 5.313 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(/C=C/c2ccccc2)cc1 587603728 RFDWTXVAHJUNHZ-ZTNHFZQTSA-N 420.464 6.266 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccs1 587611724 JKIODNSTRKMMEV-XUZZJYLKSA-N 400.455 5.359 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(SC2CCCC2)cc1 587614836 VFVVDUVKPHVVBX-RDGATRHJSA-N 418.514 6.130 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3ccc(Cl)cc23)N1 587697079 LLSPTHPLCGGAKZ-APBUJDDRSA-N 407.714 5.521 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(F)cc(F)c2)(C(F)(F)F)N1 587709422 MJPARBAMSYRRCT-BCTVWOGZSA-N 424.182 5.207 0 1 HKAF Cc1c(F)ccc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n(C)c12 587731782 ZWOHGJXXBFEAJM-GIGQVBGESA-N 405.286 5.151 0 1 HKAF CCCCn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587758528 QNAIOSADKHCENZ-FPTDNZKUSA-N 415.350 5.967 0 1 HKAF Cc1ccc(C2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587815021 JNJKNEVULSXEBR-QGZVFWFLSA-N 424.357 6.031 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCOc3cc4c(cc32)CCC4)N1 587836449 UVPBFLDBJDABMJ-WHEQGISXSA-N 416.334 5.027 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2cccs2)N1 587849881 WUWOPPKQUSIZRL-SPLOXXLWSA-N 416.359 5.670 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cccc(Br)n1 587864140 LSDMUCPBELQOAM-UHFFFAOYSA-N 412.209 5.114 0 1 HKAF COc1ccc([C@H](c2ccccc2)c2nc3cc(F)cc(Br)c3[nH]2)cc1 587936728 LTRYWHUGTXBFJY-IBGZPJMESA-N 411.274 5.653 0 1 HKAF CCOC(=O)c1cc(OCC)n(CCCc2ccc(Cl)c(Cl)c2)c1OCC 587943196 PUYQHTJBJOPIND-UHFFFAOYSA-N 414.329 5.402 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1[C@H](COc1cc(F)cc(F)c1)N=O 587944278 DHKPBPHXDKBXRZ-ZVEHZALQSA-N 422.472 5.656 0 1 HKAF Cc1ccc(C2=CSC3=NC4=C(CSc5ccccc54)[C@@H](c4ccccc4)N23)cc1 653895773 NWHRQMAERSLEEM-RUZDIDTESA-N 424.594 6.970 0 1 HKAF CC(C)(C)C[C@@]1(c2cccc(C(F)(F)F)c2)NCCc2cccc(-c3ccccc3)c21 962661444 CKMJAHAUIBVIJJ-SANMLTNESA-N 423.522 7.198 0 1 HKAF Oc1ccc2oc(-c3ccco3)c([C@@H]3NCCc4cc(-c5ccccc5)ccc43)c2c1 962666630 KXJVYKYGSKVTAH-AREMUKBSSA-N 407.469 6.301 0 1 HKAF CC(C)c1ccc2occ([C@H]3c4ccsc4CCN3Cc3ccco3)c(=O)c2c1 962699975 BLRUXFCQUNMCRD-HSZRJFAPSA-N 405.519 5.719 0 1 HKAF COc1cccc(CC[C@@H]2CN(Cc3c[nH]c4cc(OC)ccc34)CCC2(F)F)c1 1772580811 IBYSHYLECOPGNW-LJQANCHMSA-N 414.496 5.275 0 1 HKAF COc1cncc(C2=CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](NC(C)=O)CC[C@]5(C)[C@H]4CC[C@]23C)c1 1772613463 VAVSFVKKJBRYDG-ZNKVMPPOSA-N 422.613 5.631 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CCC2=C3[C@@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 2356700300 GSHNIZXJELCQAO-KKJZRXOESA-N 402.663 6.504 0 1 HKAF CC[C@@H](C)[C@@H](O)[C@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356784061 NBTBEPDPHDQBGN-PNFXMWIMSA-N 420.678 5.410 0 1 HKAF CC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)Nc2ccc(C(C)C)cc2)O3)c1 61906558 NTILGHVHWVOWDI-HSZRJFAPSA-N 400.478 5.017 0 3 HKAF Cc1cccc(NC(=O)Nc2c(-c3ccc(C(F)(F)F)cc3)nc3ncccn23)c1 203466203 DRAXKPAVNQELIZ-UHFFFAOYSA-N 411.387 5.368 0 3 HKAF CC[C@]12CCCN(Cc3ccccc3)[C@H]1c1c(n(C)c3ccccc13)[C@H](C(=O)OC)C2 1630799 YFCBXMUGKAVGTO-NKPLSRDGSA-N 416.565 5.572 0 1 HKAF O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccc(Br)cc1F 4071184 OFHRRUUJPOXBBB-UHFFFAOYSA-N 403.276 5.063 0 1 HKAF COc1cc(O)c(C)c(O)c1C(=O)[C@@H]1CC=C(CCC=C(C)C)C[C@H]1c1ccccc1 13410475 DJCRMQTYRMUEBG-YADHBBJMSA-N 420.549 6.464 0 1 HKAF biogenic O=C(Nc1ccc(Cl)cc1)N[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(Cl)cc2)C1 13493794 XBWNJGQLNCAOLX-QZTJIDSGSA-N 421.328 5.248 0 1 HKAF CCc1[nH]c(=O)c2c(ccc3nc(Nc4c(Cl)cccc4Cl)n(C)c32)c1C 13494059 UMXWSDMSYWQYRR-UHFFFAOYSA-N 401.297 5.336 0 1 HKAF CCCCC[C@](O)(C(=O)NCCC(c1ccccc1)c1ccccc1)c1ccccc1 13586440 FZSIKVTUCJXSHD-MUUNZHRXSA-N 415.577 5.793 0 1 HKAF Clc1cc2c(cc1Br)Oc1cc(Br)c(Cl)cc1O2 13776253 MYVLLYZAJKDZST-UHFFFAOYSA-N 410.876 6.416 0 1 HKAF CS[C@H](Cc1ccc2oc(Cc3nc(-c4ccccc4)oc3C)cc2c1)C(=O)O 13896731 NMOIBKUIOABAAW-OAQYLSRUSA-N 407.491 5.346 0 1 HKAF COc1cc2cc3c(c(O)c2c(O)c1C/C=C(\C)CCC=C(C)C)C(=O)C[C@](C)(O)C3 14883334 SVQACLMZZRRXPC-GSJDOASHSA-N 424.537 5.375 0 1 HKAF Cc1c(C(=O)NCCCc2ccccc2)cnc2c(-c3ccc(C(C)C)cc3)cnn12 23439451 CDPPEUVNQXWDKC-UHFFFAOYSA-N 412.537 5.191 0 1 HKAF O=P(O)(O)/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1 28462176 AVRMZLUFGYDXQA-BQYQJAHWSA-N 410.450 5.675 0 1 HKAF CCN(CC)CCC[C@@H](C)Nc1nc(-c2ccc3ccccc3c2)nc2ccccc12 28521435 SHEMKMWVFCDWLR-HXUWFJFHSA-N 412.581 6.372 0 1 HKAF c1ccc(-c2occ(-c3ccc(OCCN4CCCC4)cc3)c2-c2ccccc2)cc1 29416730 HPNBAVIGEKHMCL-UHFFFAOYSA-N 409.529 6.755 0 1 HKAF CC(C)N(C(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 34801272 AEWWFKWBCCJQAS-MALOBWPNSA-N 414.634 5.237 0 1 HKAF O=C(Nc1ccc(Cl)cc1)Nc1ccc2ncnc(Nc3ccc(Cl)cc3)c2c1 40878220 CVKKHXKZRHCCJB-UHFFFAOYSA-N 424.291 6.324 0 1 HKAF COc1cc(-c2nnc(-c3cn(C)c4ccccc34)o2)ccc1OCc1ccccc1 43024154 BZSSQVKEEHIEIU-UHFFFAOYSA-N 411.461 5.483 0 1 HKAF O=C(NC1(c2cccc(F)c2)CCC1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1 45316558 HFWKJIUMEDQVSC-NHCUHLMSSA-N 404.485 5.560 0 1 HKAF Cc1[nH]c(C)c(-c2ccc(C(=O)c3ccc(Cl)cc3)cc2)c(=O)c1Br 45317848 YHRFHVQXDQWXQL-UHFFFAOYSA-N 416.702 5.306 0 1 HKAF O=C(CCc1ccccc1)N1CCc2c([nH]c3ccccc23)[C@@H]1COc1ccccc1 45350995 HYCZJIMJYWGICC-VWLOTQADSA-N 410.517 5.306 0 1 HKAF CCCc1c(O)ccc2c1c(-c1ccc(C(C)C)cc1)nc(=O)n2Cc1ccccc1 45364528 BOZSZYLUQXKBCP-UHFFFAOYSA-N 412.533 5.893 0 1 HKAF NC(=O)c1ccc2c(c1)nc(NCc1cccc3ccccc13)n2CC1CCCCC1 49032820 KRMQHZHRLHUUER-UHFFFAOYSA-N 412.537 5.481 0 1 HKAF O=C1CCN(Cc2ccccc2)C[C@@H]1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 72116456 XSUBYFZEWIMHTL-QHCPKHFHSA-N 424.371 6.217 0 1 HKAF CSc1ccc(-c2n[nH]cc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 72179638 NPFOWDDKMJIDLX-UHFFFAOYSA-N 408.530 6.523 0 1 HKAF Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2)oc1C 82162637 KKBSDQXZWOEXOL-KGSNELEXSA-N 402.542 5.898 0 1 HKAF Cc1ccccc1-c1nc(NCc2ccc3c(c2)OCO3)ncc1-c1nc(C)c(C)o1 82177394 GIWUPMUQRHXVNA-UHFFFAOYSA-N 414.465 5.065 0 1 HKAF COc1c/c(=C2\C=CC=N2)[nH]/c1=C\c1[nH]c2cc1[C@H](CC(C)C)CCCCCCCC2 83921336 FZOGNJSRIPZZCX-WMNZLFOQSA-N 419.613 5.346 0 1 HKAF in-vitro C/C=C(\C)[C@H](O)[C@@H](C)/C=C(C)\C=C/C/C(C)=C\Cc1oc(OC)c(C)c(=O)c1C 90373155 PFVSUJLJFXJPMF-QUTMXBIESA-N 400.559 5.610 0 1 HKAF CCC[C@@H](C)OC(=O)Nc1cc2nc(C3CCCCC3)[nH]c2cc1N(CC)CC 103239792 VSAKBYSJBCKWOW-MRXNPFEDSA-N 400.567 6.194 0 1 HKAF Cc1nc(N[C@H](C)c2cccc(-c3ccoc3)c2)cc(-c2ccc3ncsc3c2)n1 141813183 CVJDNPWMXYWRTN-OAHLLOKOSA-N 412.518 6.495 0 1 HKAF O=C(Nc1ccc(F)cc1)c1ccc(SCc2ccc(OC(F)(F)F)cc2)nc1 145258769 ALOIAUNKGJPXHI-UHFFFAOYSA-N 422.403 5.664 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCCC(=O)N1Cc1cccc(-c2cscn2)c1 167593075 ZMTCNVKXOVTJKY-FQEVSTJZSA-N 422.550 5.471 0 1 HKAF Cn1c(=S)n(C2CCN(CCCC(=O)c3ccc(F)cc3)CC2)c2ccccc21 169328710 XKONIXXWOIGTEP-UHFFFAOYSA-N 411.546 5.148 0 1 HKAF O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(CNCc2cccs2)c1 205310363 LYMZFQATHXDJNX-UHFFFAOYSA-N 423.969 5.145 0 1 HKAF Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc(C(C)(C)C)n1C1CCNCC1 205360187 LANRYWWLDABECP-UHFFFAOYSA-N 407.480 5.290 0 1 HKAF CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@H]4C(=CC[C@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@]12C 255249837 NYHSEYGDWZMIEZ-MBDFLFOGSA-N 410.730 9.054 0 1 HKAF O=C(Nc1ccc(F)cc1)c1ccc(SCC(=O)c2nc3ccccc3s2)nc1 261168592 SKUSTLMXMJQISA-UHFFFAOYSA-N 423.494 5.058 0 1 HKAF OCc1ccccc1-c1cccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 586895171 SDSCFDXLNKHMGO-UHFFFAOYSA-N 419.353 5.438 0 1 HKAF CCOC(=O)[C@@H]1C[C@H](C(C)C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990320 CRMRZMPSXPPDRE-RDTXWAMCSA-N 415.489 5.017 0 1 HKAF Clc1cc(Cl)c2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1 586998992 RIUHKFHLPBANKF-UPHRSURJSA-N 412.070 5.531 0 1 HKAF FC(F)(F)c1c(Br)ccc2nc(-c3csc4c3CCOC4)[nH]c12 587032290 SHCHFEVQICYWOC-UHFFFAOYSA-N 403.223 5.145 0 1 HKAF O=C(Nc1ccccc1Cl)c1nc2c(C(F)(F)F)c(Br)ccc2[nH]1 587060192 FDAKHZAEDLBSOB-UHFFFAOYSA-N 418.600 5.250 0 1 HKAF FC(F)(F)c1cc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2cn1 587063367 LISNTISCHAQVGE-UHFFFAOYSA-N 403.791 5.876 0 1 HKAF Cc1onc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)c1COc1ccc(Cl)cc1 587076825 VFFPORGBCYUZMN-UHFFFAOYSA-N 409.660 5.461 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cccc(-c4ccc(Cl)cc4)c3)nc3cccc1c23 587103852 MBDBJXLLVUYJQA-UHFFFAOYSA-N 417.895 7.434 0 1 HKAF CC(C)(C)OC(=O)N1CCCC[C@@H]1c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105231 TZIWBLANGHOECK-JOCHJYFZSA-N 414.505 5.908 0 1 HKAF CC(C)COc1cc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2cc1Br 587114056 UUSIABHEOJSGDD-UHFFFAOYSA-N 413.237 6.046 0 1 HKAF FC(F)(F)c1ccn(CCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)n1 587118550 OMQXGDXLASDHJT-UHFFFAOYSA-N 413.428 5.298 0 1 HKAF C[C@@]1(c2nc3cccc(OCc4ccccc4)c3[nH]2)C=C(c2ccccc2F)NO1 587155695 KITNMUYAOHFXGA-DEOSSOPVSA-N 401.441 5.072 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 587190898 JJBPFMMSULVDJM-QGZVFWFLSA-N 421.419 5.418 0 1 HKAF Cc1c(Br)cc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2c1C 587204465 VHYIOGXSDVKYSQ-UHFFFAOYSA-N 424.383 5.523 0 1 HKAF Cc1cc(C)c2[nH]c(-c3ccccc3NCCNc3ccccc3C(=O)O)nc2c1 587231907 XQOKAMPYTBCBRO-UHFFFAOYSA-N 400.482 5.069 0 1 HKAF COc1c(F)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F 587328639 BQEVNTOHRZNKSO-REWPJTCUSA-N 414.379 5.092 0 1 HKAF C[C@@H]1Cc2cc(Cl)ccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587331442 POXIEUSILHKVHB-PZSUSGJMSA-N 408.856 5.631 0 1 HKAF CC(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 587337487 PPGYSQCNMNODFT-ZCYQVOJMSA-N 419.452 5.072 0 1 HKAF CCC[C@]1(c2cn(CC)nc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342620 OMPCGCXSFJBHPY-LADGPHEKSA-N 408.473 5.111 0 1 HKAF COc1ccc2occ([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2c1 587358020 VIBJLELFHVJIMI-NOZRDPDXSA-N 418.420 5.560 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3cccc(F)c3)c3ccccc13)O2 587386240 XAITWRDXSJXTIL-XMMPIXPASA-N 400.453 5.426 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(OCc3ccccc3)c3ccccc3c1)O2 587399075 IJOAORJZQLDOPT-VWLOTQADSA-N 409.485 6.016 0 1 HKAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccc(Cl)cc1Cl)CC2=O 587459690 CSVUUJPAYOOILR-NEQMZLFVSA-N 420.336 5.588 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1cccc(Cl)c1Cl)CC2=O 587463494 XODUHPMVDKSAAF-FQEVSTJZSA-N 416.304 6.149 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1nc3ccccc3n1Cc1ccccc1)CC2=O 587475727 OHVORMVVSABVOP-XMMPIXPASA-N 412.489 5.449 0 1 HKAF CC[C@]1([C@@H]2CCCCN2C(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587517229 JMAJSVYYXPVPCX-SQJMNOBHSA-N 413.558 5.469 0 1 HKAF CCO[C@H](c1ccccc1)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587522186 GDJCVZOTWNKISU-IZLXSDGUSA-N 412.529 6.204 0 1 HKAF CCC[C@]1(C2(c3ccccc3)CCNCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587524929 MPDAODSFDDVWIE-HHHXNRCGSA-N 403.566 5.391 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccc(C(F)(F)F)cc1 587551030 XJIHPOFSSASYIG-QUCCMNQESA-N 414.379 5.374 0 1 HKAF Cc1c(C)c(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1C 587604345 VMEQOLXVNGRZQQ-OZXSUGGESA-N 402.490 5.811 0 1 HKAF CC(C)Cc1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587621940 QCMZUHWZSFTJMX-UHFFFAOYSA-N 402.723 6.326 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C)c(Cc3c(C)nc4c(Cl)cccc4c3Cl)c2c1 587642142 PGCZSBHRJZAGFR-ZDUSSCGKSA-N 411.376 7.744 0 1 HKAF CC(C)c1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)(F)F)cc1 587649208 LOMYQUQNUZCFJO-UHFFFAOYSA-N 409.429 5.107 0 1 HKAF CC(C)CCC[C@@H](C)NC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660908 JQOTWKLAQAKAAM-MRXNPFEDSA-N 411.546 5.140 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]2c2ccccc2Cl)N1 587697168 MSVKDDZAYHTXKJ-UFAGZECESA-N 408.742 5.939 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC(F)(F)F)c2)N1 587724015 YVWVWJSNKHKKQJ-ABKXIKBNSA-N 404.201 5.110 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3cccc(F)c3)no2)N1 587735612 YEIZYTSQEXETER-DGIBIBHMSA-N 405.242 5.006 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3ccccn3)c2)N1 587770087 HZLUCYHPVJSUIR-ASSNKEHSSA-N 413.290 5.399 0 1 HKAF CCOc1ccc(OCC)c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 587779245 ZQSZFSVDMAWVTI-UHFFFAOYSA-N 415.518 6.304 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2c[nH]c3ccccc23)N1 587802919 ONFNJIPEEBRFGX-ASSNKEHSSA-N 401.323 5.452 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c4c(cccc24)CC3)N1 587814023 FKZYHPXZEYLCFV-ZLOXQWCVSA-N 410.330 5.638 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)sc2Cl)N1 587842466 FKYMMSFYBAHTNB-KWKYVRJSSA-N 409.151 5.754 0 1 HKAF COc1ccc2c(c1)[C@@](CCCCCC(=O)O)(c1cc(C)ccc1C)N(C(C)C)CC2 962095482 ZCPQLMKXRLGZMO-HHHXNRCGSA-N 423.597 5.857 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(F)cc2)(c2cc(Cl)cs2)N1 962958417 PWFSQXHVLROELY-UZUQRXQVSA-N 410.945 6.238 0 1 HKAF CCOc1cc([C@@H]2NCCc3c(OC)ccc(Cl)c32)c(Cl)cc1OC(C)C 963258106 NKCLUDCAIYCXDE-NRFANRHFSA-N 410.341 5.423 0 1 HKAF CC(C)C(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1 1772585111 YRFIBCQGWPFBMW-LPCDCZLASA-N 420.641 6.258 0 1 HKAF COc1ccccc1-c1cc2c(-c3ccc(C(N)=O)c(C4CCCC4)c3)ccnc2[nH]1 1857751631 HOQCCNALNBIQIM-UHFFFAOYSA-N 411.505 5.662 0 1 HKAF CC(=CCc1c(O)c(C)c2c(c1O)C(=O)OC2)CCC=C(C)CCCC(C)(C)O 2356325138 MSVNFZWAKRWVFV-UHFFFAOYSA-N 402.531 5.233 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc(O)c2c1O[C@@H](c1cc(O)cc(O)c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c1cc([C@@H]2COc3cc(O)cc(O)c3C2=O)ccc1O 2356674904 YFTKBDQVWMZIOT-FQEVSTJZSA-N 408.494 5.398 0 1 HKAF Cc1ccc(S[C@@H](c2ccccc2)[C@@H](Cn2cncn2)C(=O)c2ccccc2)cc1 630009 GDETUBNMIJXRHY-ZCYQVOJMSA-N 413.546 5.619 0 3 HKAF aggregator Cc1nc2ccccc2n1[C@H](C)c1nc2ccccc2n1CC(=O)c1ccsc1 95599977 COJQONCIDJYRCY-OAHLLOKOSA-N 400.507 5.248 0 3 HKAF Cc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)n1 6783242 FWJIOVWYLXDCDZ-YADHBBJMSA-N 419.550 5.027 0 1 HKAF Clc1ccc(CN2CCN(c3nc4ccsc4n4cccc34)CC2)c(Cl)c1 13755933 ZDPNKNSRWQOPMC-UHFFFAOYSA-N 417.365 5.178 0 1 HKAF CCCn1nc(C(C)C)c(C(=O)O)c1Cc1ccc(-c2ccccc2C(=O)O)cc1 13761013 FBPHXLSMDYRNLG-UHFFFAOYSA-N 406.482 5.071 0 1 HKAF CCc1oc([C@H](C)C(=O)[C@H](C)c2oc(CC(C)C)c(C)c(=O)c2C)c(C)c(=O)c1C 14587455 FNFUWLSRKIARQE-MSOLQXFVSA-N 414.542 5.064 0 1 HKAF biogenic c1ccc(C2CCN(C[C@H]3C[C@@H]4c5ccccc5Cc5ccccc5[C@H]4O3)CC2)cc1 26667683 NTBSVMCWAHSWAK-MOZWKJSSSA-N 409.573 6.084 0 1 HKAF CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCCCC(=O)OC[C@H](O)CO 29045153 UDZUDFKFJCAENZ-MPFQJUNZSA-N 406.607 5.809 0 1 HKAF CCOP(=O)(OCC)C(CC[C@@H](O)c1ccccc1)P(=O)(OCC)OCC 40465026 QICNRDPZRHFTOW-QGZVFWFLSA-N 422.395 5.359 0 1 HKAF Clc1ccc(O[C@H](CCn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 40894181 CSAQBTXLVSYVNH-QGZVFWFLSA-N 416.135 6.707 0 1 HKAF Cc1cc([C@](O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)ccc1F 49070550 FQPJRGDRIOAJCS-NRFANRHFSA-N 418.365 5.410 0 1 HKAF CCN(CC)C(=O)[C@@H]1Sc2ccccc2-c2c1c1c(OC)cccc1n2CCF 68208439 VWCQIIUQPHDCEX-JOCHJYFZSA-N 412.530 5.302 0 1 HKAF CCc1cnc(-c2cnc(NCCOc3ccccc3)nc2-c2ccccc2)s1 82162758 WOWCTUJEFUKSTC-UHFFFAOYSA-N 402.523 5.320 0 1 HKAF Clc1ccc(OCCCc2cccc(CCCOc3ccc(Cl)cc3)n2)cc1 95583066 QPMAINVCDSPOOY-UHFFFAOYSA-N 416.348 6.412 0 1 HKAF C[C@@H]1[C@@H]2Cc3ccc(I)cc3[C@]1(C)CCN2Cc1ccccc1 100719840 KAICFMDUDWIURZ-GQWLDOHISA-N 417.334 5.016 0 1 HKAF Cc1ccc(-c2c([C@@H](OC(C)(C)C)C(=O)O)c(C)nc3cc4c(cc23)CCCC4)cc1 140446395 NWMYEMJIPIXUNW-RUZDIDTESA-N 417.549 6.338 0 1 HKAF Cc1nc(N[C@@H](C)c2cncc(Br)c2)cc(-c2ccc3occ(C)c3c2)n1 143127890 OMZWRAQNFGDEPL-ZDUSSCGKSA-N 423.314 5.837 0 1 HKAF CCN(CC)C[C@H](O)c1cc(-c2cccs2)nc2cccc(Br)c12 169335274 XSUOZAYJBJSNGK-KRWDZBQOSA-N 405.361 5.101 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@@H]1c1ccc(-c2ccccc2F)cc1 169728371 OWFXWHQLNGDRFV-DNQXCXABSA-N 419.496 5.483 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255221894 JVEARGBOXRHBPV-DRRZBGORSA-N 414.674 6.382 0 1 HKAF CCCC[C@@H](OC(C)=O)c1ccccc1C(=O)Oc1cc(C)nn1-c1ccc(C)cc1 474607979 KWMKPPXPHICWTC-HSZRJFAPSA-N 420.509 5.503 0 1 HKAF CCc1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1CC 586879695 MUSUMFJGZOIWMQ-UHFFFAOYSA-N 413.237 6.016 0 1 HKAF Cc1c(Cl)ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12 586961341 VBDVEWSSCAGWRA-HSZRJFAPSA-N 411.752 5.028 0 1 HKAF Cc1cnc(O)n1-c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586987838 SFNXNAOZZNJMSZ-UHFFFAOYSA-N 419.440 5.019 0 1 HKAF Cc1ccc2c3c(cc(CC(=O)Nc4ccc(F)cc4F)nc13)-c1ccccc1C2=O 586996255 QSAHURXOLOJPMI-UHFFFAOYSA-N 414.411 5.214 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(Br)c(O)c2[nH]1 587013880 CYJCKIPWKJRONW-UHFFFAOYSA-N 420.719 5.783 0 1 HKAF Clc1ccc(-c2cc(-c3nc4c(Br)ccnc4[nH]3)ccc2Cl)cc1 587047539 KHIOURWUMXNSOY-UHFFFAOYSA-N 419.109 6.361 0 1 HKAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(CC)cc3[nH]2)c1 587050857 RJSHNHRFQUTVTN-KHPPLWFESA-N 410.905 5.169 0 1 HKAF Cc1nn(-c2cccc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2)c(C)c1Cl 587065840 ZDLARAQLXWNHMP-UHFFFAOYSA-N 406.795 5.584 0 1 HKAF Cc1c(Br)ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc12 587076675 LOXUGRRPQKZIFC-UHFFFAOYSA-N 414.690 5.722 0 1 HKAF Cc1ccc(/C=C/c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1F 587146148 BBUNTUZRFRUIRC-VOTSOKGWSA-N 403.295 5.978 0 1 HKAF CC(C)Oc1ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 587158143 GBFFDDQYOFYSCY-JOCHJYFZSA-N 410.876 6.311 0 1 HKAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc3ccccc3cc2[nH]1 587167465 NMSSTUSWHCBJDH-UHFFFAOYSA-N 423.494 5.385 0 1 HKAF Cc1cc(Br)c2[nH]c([C@H](NC(=O)c3ccccc3)c3ccccc3)nc2c1 587218543 JMQDLRRCBXXHPQ-LJQANCHMSA-N 420.310 5.153 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCOc3c(Cl)cccc32)[C@@H]1c1ccc(F)cc1 587328310 JFCXXBWNOSIRCS-QPPBQGQZSA-N 424.855 5.612 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCNc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 587329449 MRTKPSHQNIXLHW-VWNXMTODSA-N 423.871 5.645 0 1 HKAF CC[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344140 FVNVFOMFCQFUGL-NOZRDPDXSA-N 401.437 5.677 0 1 HKAF CC(C)(C)c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587354147 NBBSJHYEHNHSBV-JYFHCDHNSA-N 404.481 6.103 0 1 HKAF CCOC(=O)C[C@H]1CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587363281 PNCYZRTWRUXCNQ-MRXNPFEDSA-N 401.462 5.640 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3ccccc3Cl)c3ccccc13)O2 587376036 BRYCZRGGYVGULS-XMMPIXPASA-N 416.908 5.940 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(C)c(C)c1)O2 587392930 XREPSJGIXAPXEO-VWLOTQADSA-N 423.516 5.753 0 1 HKAF CCOC(=O)c1ccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)s1 587450213 IAPHLPLHBBLVJB-HXOBKFHXSA-N 420.486 5.089 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C(F)(F)F)cc(Cl)nc1Cl)CC2=O 587458741 BAYLBTCUNADBIB-CYBMUJFWSA-N 420.214 5.772 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](CC)c1ccccc1)CC2=O 587489239 NRRLUCSIETYVKQ-WNCULLNHSA-N 400.518 6.399 0 1 HKAF CCN1CCN(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(Cl)c2)CC1 587507778 RWWLPCUOJODOKG-XMMPIXPASA-N 424.972 5.067 0 1 HKAF O=C1C[C@](c2ccccc2)(c2cccc3cc(O)[nH]c23)Oc2c1ccc1c2CCCC1 587526408 QYIQQBAMJWPAMF-MHZLTWQESA-N 409.485 5.661 0 1 HKAF CCCC/C=C/CCCCCCCCC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527872 XBVIORLTMRKKIS-ZFTMLNQLSA-N 410.642 8.157 0 1 HKAF C[C@@]1(c2cccc(CCCCF)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555402 KVSDRNPUDQDYGZ-BWKNWUBXSA-N 424.443 5.701 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccco1)c1c[nH]c2ccccc12 587586713 DBUQLHSWYWKJLK-BVAGGSTKSA-N 423.424 5.372 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@H]1C[C@@H]2C=C[C@H]1C2 587602878 LNJOSQBMMGNXLV-DYWWROJZSA-N 410.469 5.462 0 1 HKAF Cc1c(-c2ccc(OCC(F)F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622117 AQJGICNPRQDDRY-UHFFFAOYSA-N 406.230 5.426 0 1 HKAF Cc1cccc(NC(=O)c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1C 587625205 BRAARUNPCGFWHT-UHFFFAOYSA-N 414.349 6.383 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)(F)F)cc2)N1 587717868 GYOOMCQHLZBRLE-FVMDXXJSSA-N 404.201 5.110 0 1 HKAF COc1c(F)cc(CC[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587718913 KCBAKGCHHLZKOG-YPMLDQLKSA-N 414.265 5.083 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(C)(C)C)(c2ccc(F)cc2)N1 587732482 NKTGINCMQUFDGM-YEJXKQKISA-N 408.330 5.941 0 1 HKAF C[C@H]1C[C@@H](C)CN([C@@H]2CCCC[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)C1 587757746 BJNMSLMRLWSAPW-OOGYSAADSA-N 423.414 5.238 0 1 HKAF C[C@@H](C[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)c1cn(C)c2ccccc12 587760657 ZSNNPVBZFUMEKF-QTCYRWPVSA-N 415.350 5.849 0 1 HKAF COC(=O)CCCCCCCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587805050 GHZVNHPWVLGVQJ-YOEHRIQHSA-N 414.359 5.457 0 1 HKAF Cc1c(C)c(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C 587813449 CWZUSVXKQHXWDA-XFNZEKPQSA-N 404.367 5.928 0 1 HKAF Cc1ccc(-c2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587826887 GLNOIEDBOBJSOK-XUSGNXJCSA-N 400.291 5.780 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccnc2cc(Cl)ccc12 587861656 WLGHKPJEIRSIHX-UHFFFAOYSA-N 403.791 5.768 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(-c2ccccc2)cs1 587864073 KNURJXNGYXFCDG-UHFFFAOYSA-N 401.413 5.690 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 587871094 ZOLFSWIOVXEYKC-INIZCTEOSA-N 410.489 5.493 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc2scc(-c3ccccc3)c12 587872080 GPJHTTQTWGHDEF-UHFFFAOYSA-N 416.481 5.749 0 1 HKAF CCN(CCc1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1)C(C)=O 587922373 CTNYSIWFIKGWOM-UHFFFAOYSA-N 407.514 5.508 0 1 HKAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(Br)c(F)c4[nH]3)c2)c1 587932501 FQGSNJLRKCVTPD-UHFFFAOYSA-N 413.246 5.513 0 1 HKAF O=c1c2ccccc2nc(/C=C/c2ccc(C(F)(F)F)cc2)n1-c1cccc(O)c1 653873425 NEZIIDJKGAEDTO-JLHYYAGUSA-N 408.379 5.281 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(C)c1ccc(F)s1 961778735 QOEZQLBEDJAWSF-QFIPXVFZSA-N 402.535 5.302 0 1 HKAF Clc1ccc2nc(Cl)c([C@@H]3NCCc4cccc(-c5ccccc5)c43)cc2c1 962663933 FDGYZMYNPXQWKE-QHCPKHFHSA-N 405.328 6.444 0 1 HKAF COc1ccccc1CC[C@@H]1CN(Cc2c[nH]c3cc(Cl)ccc23)CCC1(F)F 1772641520 OUZRJSBIXZKDFP-GOSISDBHSA-N 418.915 5.920 0 1 HKAF CCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nc2ccccc2o1 1857547974 SMBCWOAXSPIQSZ-UHFFFAOYSA-N 424.508 5.482 0 1 HKAF O=C(Nc1nc(-c2ccccc2)nc2sc(-c3ccccc3)nc12)c1ccccc1 1857569378 YEGJMNQUFGQRLK-UHFFFAOYSA-N 408.486 5.673 0 1 HKAF Cc1ccc(-c2cc3cc([C@H]4Nc5ccccc5C(=O)N4C)cc(C)c3oc2=O)cc1 1857744443 CAUFJROIYYUVQC-DEOSSOPVSA-N 410.473 5.273 0 1 HKAF Clc1ccc(OCC(COc2ccc(Cl)cc2)NCc2ccccc2)cc1 2178320092 GPEHZAKSXKFUNB-UHFFFAOYSA-N 402.321 5.610 0 1 HKAF Cc1ccc(O)cc1CC[C@H]1[C@@H]2CC[C@@H]([C@H](C)C=C[C@H](C)C(C)C)[C@@]2(C)CC[C@H]1O 2356393003 WPPVLVJCHIZUQE-VYVAJGEVSA-N 412.658 6.921 0 1 HKAF CC1(C)C(=O)CC[C@@H]2[C@@H]3CC[C@@H]4C(=CC[C@H]5C(C)(C)C(=O)CC[C@@]45C)C[C@@]3(C)CC[C@H]21 2356405907 HYPYJVALUQPMIH-TWUBHXQISA-N 424.669 7.166 0 1 HKAF Oc1ccc2c(c1)CCc1ccc(O)c(c1)-c1cc(ccc1O)C=Cc1ccc-2c(O)c1 2356466294 AANIEYOTXCALEB-UHFFFAOYSA-N 422.480 6.112 0 1 HKAF CCCCC[C@H](CO)c1cc(O)cc(C[C@@H]2CCC[C@H]([C@]3(C)C=CC[C@@H](C)C3)C2)c1 2356498159 KRNHLAGJQXRKBU-KXIFJTOOSA-N 412.658 7.390 0 1 HKAF CC(C)=CC[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](N(C)C)CC3=CC[C@@]2(C)[C@@H]2CC[C@H]3CN(C)C[C@@]213 2356539227 GZPCPKJUELSOTR-QPRXPEJLSA-N 424.717 6.394 0 1 HKAF CC(C=C[C@]1(C)CC[C@@H](C)C(=O)[C@H]1C)=CCc1c(O)c(Cl)c(C)c(C=O)c1O 2356705940 JZPUVJNTXDTYIV-GTAYFMOCSA-N 404.934 5.559 0 1 HKAF CN1C(C)(C)CC(NC(=O)c2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)CC1(C)C 590315 MBGPFOHFQCTHOL-UHFFFAOYSA-N 424.976 5.265 0 1 HKAF CC(C)=CCc1c2c(c(O)c3c(=O)c(O)c(-c4ccccc4)oc13)C=CC(C)(C)O2 3197583 BPGVKIFGOXGHPB-UHFFFAOYSA-N 404.462 5.564 0 1 HKAF biogenic,in-vitro CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 4207457 RETFWNYIZMOUJZ-JTHBVZDNSA-N 406.913 5.501 0 1 HKAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1Cc1cnn(-c3ccc(F)cc3)c1N2 5850664 YCVJEIIUIBLCAU-QQINFNOISA-N 421.560 5.262 0 1 HKAF CC[C@H](Cc1ccc(OC)c(NC(=O)Nc2ccc(C(F)(F)F)cc2)c1)C(=O)O 12358313 CDROLHOHBQXVCB-CYBMUJFWSA-N 410.392 5.011 0 1 HKAF CCCCCC[C@@H](C)/C=C\C/C=C\C/C=C\C/C=C\CC[C@H](C)C(=O)NCCF 13766097 RAMPXDRFGKYVNF-AARSRZTLSA-N 405.642 7.490 0 1 HKAF CC(C)(C)c1ccc([C@@H](c2cccc(O)c2)N2CCC(Cc3ccccc3)CC2)cc1 13803305 GDFJLRYCRUZCCR-NDEPHWFRSA-N 413.605 6.734 0 1 HKAF CC/C(=C(\c1ccc(OCCN(C)C)cc1)c1ccc(SC)cc1)c1ccccc1 26569948 KGRCLVYDBYNANO-RQZHXJHFSA-N 417.618 6.718 0 1 HKAF C/C=C/C/C=C/C/C=C/CCCCCCCC[C@@H]1OC[C@H](COP(=O)(O)O)O1 28564426 DXOPTPZUSBDQEI-SACWDKBKSA-N 416.495 5.427 0 1 HKAF C[C@H]1CN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)C[C@@H](C)O1 28821649 VSXXARZLBDXALT-IYBDPMFKSA-N 422.516 5.807 0 1 HKAF O=C(Nc1cccc2cnccc12)N[C@@H]1CCc2ccccc2[C@H]1Cc1ccccc1 28959104 QEMYRXIETDRZCN-AOYPEHQESA-N 407.517 5.698 0 1 HKAF CC(C)c1c(COC(N)=O)cn(Cc2ccncc2)c1Sc1cc(F)cc(F)c1 35015432 QEGZCZLYWYNDLI-UHFFFAOYSA-N 417.481 5.080 0 1 HKAF NC(=S)Nc1cccc(OCCCCCOc2ccc(-c3ccccc3)cc2)c1 40424628 VNGYUNSPJCTZDY-UHFFFAOYSA-N 406.551 5.637 0 1 HKAF COc1cc(CCCCCCCCCCCCCCO)c(OC)c(OC)c1OC 40762287 WFADECGNXKCXHK-UHFFFAOYSA-N 410.595 5.937 0 1 HKAF CCCCCNC(=O)[C@@H](Nc1nc(-c2ccc(C(C)C)cc2)cs1)[C@@H](C)CC 82195929 XNASQSRJCCLZJC-UWJYYQICSA-N 401.620 6.067 0 1 HKAF Clc1ccc(N2CCN(C[C@H]3CC4c5ccccc5C3c3ccccc34)CC2)cc1 103229325 UOBIWBAZOLJYGH-LWRMFSKNSA-N 414.980 5.759 0 1 HKAF Oc1oc2ccccc2c2nc(-c3cc(-c4ccccc4)nn3-c3ccccc3)nc1-2 103521764 YICVWCFYZJBKAH-UHFFFAOYSA-N 404.429 5.553 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cncc(-c2ccccc2)c1 167767459 WLZXOFIILFOXKY-OAQYLSRUSA-N 402.494 5.020 0 1 HKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C[C@@]2(O)c1ccnn1C 169293830 HEESPKVKRSKCJE-WOGXIUBCSA-N 400.563 5.243 0 1 HKAF Cc1ccc([C@@H](CC(=O)N2C[C@H](C)C[C@@H](C)C2)c2c(O)ccc3ccccc23)cc1 169296323 NDXFAXFPWSKNFC-YOSAUDMPSA-N 401.550 5.880 0 1 HKAF Cc1ccc(-c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)c3ccccc3n2)cc1C 169303332 CVSDWHDFRHFBMK-UHFFFAOYSA-N 420.434 6.790 0 1 HKAF COc1cccc(Cn2cc(O)c(-c3nc(-c4ccc(Cl)cc4)cs3)c2N)c1 169687763 PMAAWHGXMRUHOK-UHFFFAOYSA-N 411.914 5.277 0 1 HKAF COc1ccc(CNc2nc(-c3ccc(F)cc3)c(Cc3ccccc3)s2)cc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c1c(C)c(C)c2c(c1C)CC[C@](C)(COCc1cc(-c3ccc(O)cc3)no1)O2 299835370 DSNORUJKNRVIGA-RUZDIDTESA-N 423.509 5.282 0 1 HKAF COc1c(O)c(C)cc2c3ccccc3n(Cc3ccc4[nH]c5ccccc5c4c3)c12 473152935 XLYNVXKPNJGYBH-UHFFFAOYSA-N 406.485 6.500 0 1 HKAF OCc1ccccc1-c1cccc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 586895120 PPTVOIWCWPGLJA-UHFFFAOYSA-N 414.690 5.200 0 1 HKAF CCCC(Br)(CCC)c1nc2cc(Cl)cc(Br)c2[nH]1 586971223 PEIOVIRLGSTXAS-UHFFFAOYSA-N 408.565 6.169 0 1 HKAF COc1cc(/C=C/c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)ccc1Br 586977609 RXOWIVAUHOKETG-HWKANZROSA-N 415.184 5.662 0 1 HKAF Cc1cc(Cl)cc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c12 586982146 RYOOSRKEMRRNFY-UHFFFAOYSA-N 407.739 6.379 0 1 HKAF Cc1c(Br)ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587012113 GKGWNTSAHQODJE-UHFFFAOYSA-N 413.138 5.397 0 1 HKAF Cc1ccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2c1C 587018548 GTSTUMDLOMEMTG-UHFFFAOYSA-N 416.377 6.936 0 1 HKAF C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cnccc2[nH]1 587055295 OFVHUDBPGYPUFT-GFCCVEGCSA-N 400.265 6.197 0 1 HKAF CC(C)(C)c1cccc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 587069761 FFYQRQJNSFIAJK-VOCUUSTCSA-N 413.392 7.533 0 1 HKAF CCCCCOc1cc2nc(/C=C\c3ccc(C)c(F)c3)[nH]c2cc1Br 587146129 AJTPXOZVQAQZJT-HJWRWDBZSA-N 417.322 6.512 0 1 HKAF Fc1ccc2c(-c3nc4c(Br)cnc(Br)c4[nH]3)coc2c1 587174165 FQJRULUQWPZREE-UHFFFAOYSA-N 411.028 5.035 0 1 HKAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(F)cc(Br)c2[nH]1 587201035 DVNZVBZAGRLVGC-UHFFFAOYSA-N 414.319 5.045 0 1 HKAF CC1(c2nc3cccc4c3c(c2Cc2ccccc2)-c2ccccc2C4=O)CCCCC1 587208260 UFGRRKJGZVAUOP-UHFFFAOYSA-N 417.552 7.259 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](CC2CC2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 587326261 BHIOANLZNWLXBX-NOZRDPDXSA-N 422.883 6.239 0 1 HKAF Cc1cc(C)n([C@@H]2CCC[C@@]3(C2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)n1 587343478 TYRAPLOSRHVYOT-VPHKFGTKSA-N 420.484 5.258 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccc(NC(=O)c4ccc(Cl)cc4)c1)[C@@H](C2)C3=O 587420485 IENVGGOPYMYCBK-WMZHIEFXSA-N 419.864 5.090 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1ccccc1C)[C@@H](C2)C3=O 587430757 GSCQREXDCCIFKA-IDISGSTGSA-N 422.484 5.345 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C(C)C)nn(-c3ccccc3)c1Cl)CC2=O 587460092 GFSVPTWBDQXKBH-HXUWFJFHSA-N 424.928 6.014 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1c1ccc(Cl)c(Cl)c1)CC2=O 587463111 UEKLWYAVARPNPO-OPAMFIHVSA-N 405.321 6.323 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](c2ccccc2)Oc2cc(O)ccc21 587486689 MHZVICLWUXGLAX-RSXGOPAZSA-N 416.473 5.435 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCC)([C@H](CC)Sc1ccoc1C)CC2=O 587491158 JLXZKKUAACUUSF-JTHBVZDNSA-N 402.556 6.321 0 1 HKAF O=C1C[C@H](c2ccc(Oc3ccc(F)c(F)c3)cc2)Oc2c1ccc1c2CCCC1 587508692 ZTUMWPWZLSSNLL-XMMPIXPASA-N 406.428 6.342 0 1 HKAF CCOc1cc(OCC)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OCC)c1 587523560 KCAHCFOKUOHNMQ-HSZRJFAPSA-N 410.510 5.468 0 1 HKAF C[C@@]1(c2cc(F)c(Cl)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553998 CGLZZKSJQRZNIQ-NQIIRXRSSA-N 402.780 5.201 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cccc(F)c1 587572057 QYLDWXTTWJWDNV-QPPBQGQZSA-N 401.393 5.025 0 1 HKAF CCc1ccc([C@]2(c3cccnc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587585647 GGYSDWJMOXBWSS-RPLLCQBOSA-N 423.468 5.255 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1cccnc1 587589237 WNCOUCNJPHZIAE-RDGATRHJSA-N 411.413 5.282 0 1 HKAF COc1cccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 587599622 GZAUHLZJMQCQKH-IGKIAQTJSA-N 424.452 5.771 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2cccc(O)c2)c1 587610111 PSUQQXSOIWVLFK-BVAGGSTKSA-N 410.425 5.468 0 1 HKAF Cc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2Cn2ccnc2)cc1 587627674 HWSDEPNOYPIQHY-UHFFFAOYSA-N 423.360 6.426 0 1 HKAF O=C(c1ccc(Cl)cc1Cl)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587637614 DMFZTZGMDIFMOE-UHFFFAOYSA-N 402.155 5.423 0 1 HKAF CC[C@H](C)n1nc(C)c(Cl)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587695987 KJPCTSAZGOIJJQ-GPHJXTMHSA-N 414.750 5.341 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)cc2F)N1 587710394 GBDZZPPYKWORCM-HUTHGQBESA-N 420.219 5.544 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCC(F)(F)F)N1 587712667 QEXCVSDNUHTPCH-QGHHPUGFSA-N 418.228 5.153 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cccc2OC(F)F)N1 587718923 PCMVVABJVGKRFL-ZKANADHPSA-N 420.656 5.467 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SC(F)(F)F)cc2)N1 587722989 UPCBBQPVQMBENP-FVMDXXJSSA-N 420.269 5.824 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=C(c3ccc(F)cc3)CC2)N1 587733366 LHTVYBNOIBIULD-ZSEKCTLFSA-N 404.298 5.724 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cc(N(C)C)ccc3c2)N1 587755836 POUBQZPFDGYRCF-XMHCIUCPSA-N 413.334 5.431 0 1 HKAF C(=C/c1nc2ccc(Oc3ccccc3)cc2[nH]1)\c1ccc(OCc2ccccc2)cc1 587784655 TWWYTEZECQDSDL-QGOAFFKASA-N 418.496 7.105 0 1 HKAF CC(C)=CCC/C(C)=C/C=C/[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813444 CTQXUCCROWLHFD-QCIVGSDESA-N 406.383 6.587 0 1 HKAF Cc1ccc(-c2csc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)cc1 587854228 QRDASCJJVYGSSQ-HXPMCKFVSA-N 417.347 5.644 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2c(OC)cccc2s1 587860761 BNZWUQIMRRDOJU-UHFFFAOYSA-N 420.321 5.863 0 1 HKAF Fc1ccc2c(c1)-c1cc(n(-c3cc(Br)ccc3Br)n1)O2 587872951 UEVMHJJRIXLRFW-UHFFFAOYSA-N 410.040 5.309 0 1 HKAF O=C(c1cccc(COc2ccc(F)cc2F)c1)n1nc2cc1Oc1ccc(F)cc1-2 587874372 XPQGOXSYESELDR-UHFFFAOYSA-N 422.362 5.341 0 1 HKAF C[C@H](NC(=S)n1nc2cc1Oc1ccc(F)cc1-2)c1ccc(Cl)cc1Cl 587875760 IJWMKTAHKQCNTG-VIFPVBQESA-N 408.285 5.586 0 1 HKAF COc1cc(-c2ccccc2)c(OC)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 587945195 KHRZCVATCMWWBN-NRFANRHFSA-N 405.469 6.127 0 1 HKAF Cc1ccc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c2n1 587956904 FPFPJZWACQSLOB-UHFFFAOYSA-N 413.694 8.706 0 1 HKAF Cc1cccc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c12 587957101 GMECTCPMXUWRPD-UHFFFAOYSA-N 412.706 9.311 0 1 HKAF Cc1cc2c(cc1F)[C@@](c1ccc(C3OCCO3)cc1)(c1cccc(C)c1C)NCC2 962374626 LQZXEKUYHKGHEW-HHHXNRCGSA-N 417.524 5.234 0 1 HKAF CCOC(=O)CCCC[C@@]1(c2ccc(CC)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963106742 NBZZKCDNZYQYIR-RPLLCQBOSA-N 423.572 5.776 0 1 HKAF CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)CCn1c(C3CCCCC3)nc3ccccc31)C2 1857585632 SLSHAQAUYNMJCT-GSPPDTAYSA-N 407.602 5.805 0 1 HKAF CC[C@H](c1ccccc1)N(C)c1ccc(S(=O)(=O)Nc2nccs2)cc1Cl 1857598624 ORTXFBYCNLCMDW-QGZVFWFLSA-N 421.975 5.185 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@H](C)[C@H]1OC(=O)C=C(C)C 2356549690 IDAAXBSMDRZVPD-UEZLGWKASA-N 414.542 5.105 0 1 HKAF COc1cc(OC)c([C@H]2CCC=C(CCC=C(C)CCCC=C(C)C)C2)cc1OC 2356657998 AOJATAZCRAKXHS-QHCPKHFHSA-N 412.614 7.769 0 1 HKAF COCCNc1nc(NCc2cccc(OC)c2)c2sc(-c3ccccc3)cc2n1 61927480 RQSGVZOHVJVNRW-UHFFFAOYSA-N 420.538 5.037 0 3 HKAF CC(C)(C)CNC(=O)N1CCCC[C@H]1C(=O)OCc1cccc(Oc2ccccc2)c1 13755850 STACCDZCBPVYNB-QFIPXVFZSA-N 424.541 5.132 0 1 HKAF CC(C)Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc3c2CCCC3)cc1 13782432 PNIMKAGRLWRIQD-UHFFFAOYSA-N 410.539 5.220 0 1 HKAF CCc1nc2c(-c3ccc(OC(F)F)cc3Cl)ccnc2n1[C@@H](C)C1CCC1 13973753 NOCSZFMUSSDTEB-LBPRGKRZSA-N 405.876 6.277 0 1 HKAF O=C(CCCCCCc1cccc(C(F)(F)F)c1)c1ncc(-c2ccccn2)o1 14979873 ZPFMBPVMRCIDBP-UHFFFAOYSA-N 402.416 6.131 0 1 HKAF CN(CC1CC1)C[C@H]1c2ccccc2CCN1C(=O)Cc1ccc(Cl)c(Cl)c1 26579363 IJBVEQRMGIOGHG-QFIPXVFZSA-N 417.380 5.004 0 1 HKAF C[C@H](NC[C@H](Cc1ccccc1)NCc1ccc(F)cc1)c1cccc2ccccc12 26995569 NROYBARDVSLPQI-LVXARBLLSA-N 412.552 6.031 0 1 HKAF C[C@]12CC[C@H]3[C@H](CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]34C)[C@H]1CCC2=O 27200774 FXJBFSBELBAUFO-SIOXGKIVSA-N 413.565 5.409 0 1 HKAF Cc1ccc(Cc2cnc(SCCCCCCCc3ccccc3)[nH]c2=O)cn1 27323661 GDKWBUQKQLIFGL-UHFFFAOYSA-N 407.583 5.349 0 1 HKAF CSc1sc(C(=N)N)cc1-c1csc(Nc2c(Cl)cccc2Cl)n1 28005555 XVPMAUVOZSXQSE-UHFFFAOYSA-N 415.396 5.928 0 1 HKAF Cc1nc(C)c(C(=O)Nc2ccc3nc(NC(=O)C4CCCCC4)sc3c2)s1 28458638 DDMLEHZVFHDLGG-UHFFFAOYSA-N 414.556 5.141 0 1 HKAF CCO[C@@H](Cc1ccc(OCCCOc2ccc(-c3ccccc3)cc2)cc1)C(=O)O 28570406 GPWHFCGFEDGOTM-VWLOTQADSA-N 420.505 5.234 0 1 HKAF Cc1cc(C)c2oc(-c3ccc(NC(=O)COc4ccc(Cl)cc4C)cc3)nc2c1 29048992 PVTNTAZYHQWXKG-UHFFFAOYSA-N 420.896 6.091 0 1 HKAF O=C(O)c1ccc2c(=O)cc(-c3cccc(/C=C/c4ccc5ccccc5n4)c3)oc2c1 29225979 BWRCELQNWVOOHK-DHZHZOJOSA-N 419.436 5.877 0 1 HKAF Cc1cccc(C)c1NC(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 36189282 QAHXIOGYJOSPBU-PFKSEXIJSA-N 420.597 5.155 0 1 HKAF O=C(c1ccncc1)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccccc1Cl 64503494 KFWBBDDIOXEMQJ-HXUWFJFHSA-N 401.853 5.473 0 1 HKAF COc1cncc([C@](O)(c2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc2F)c1 72101884 OVWWPFDZGINFBK-LJQANCHMSA-N 411.782 5.186 0 1 HKAF CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2cccc(OC)c2)cs1 82193594 KNYRANJYASVLKF-UWJYYQICSA-N 415.603 5.120 0 1 HKAF COc1ccc([C@@H]2C(c3ccc(C)cc3)=NO[C@]23CSc2ccccc2C3=O)cc1 103190440 FPNROPGTFZXYHT-RCZVLFRGSA-N 415.514 5.249 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2ccccc2)c1 103270593 APXVOQGYSIFTDK-QFIPXVFZSA-N 401.506 5.625 0 1 HKAF Cc1ccc2c(c1)c1c(n2CCCNCc2ccc(Cl)cc2Cl)CCCC1 103298942 NWOFEUHVIIMERT-UHFFFAOYSA-N 401.381 6.315 0 1 HKAF CC(=O)Oc1c(C(C)C)cc2c(c1OC(C)=O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3 146244671 GINOEDXLNMHUDV-AXHZCLLHSA-N 400.515 5.200 0 1 HKAF biogenic,in-vitro COc1ccc2nc(CNc3ccc(-c4nn(C)cc4-c4ccncc4)cc3)ccc2c1 169324868 VTSKCGXZSHSBAC-UHFFFAOYSA-N 421.504 5.318 0 1 HKAF CC(C)=CCc1c2c(c(O)c3c1OC[C@H](c1ccc(O)cc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c1ccc(-c2cccc(-c3nc4ccc(Br)c(C)c4[nH]3)c2)cc1 586878925 BPNYZZWDCUALPF-UHFFFAOYSA-N 405.295 6.170 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 586881702 HYPVMQAXKJABOZ-UHFFFAOYSA-N 418.496 6.870 0 1 HKAF CC(C)COc1cc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2cc1Br 586895939 DZRYKFBXAHFZET-UHFFFAOYSA-N 401.304 5.146 0 1 HKAF CC(C)(C)c1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c1 586961659 XJLDBTPLNTZFID-VWLOTQADSA-N 419.388 5.363 0 1 HKAF N[C@H](N=O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1 586975624 OJWQKRKDAROJDM-CYBMUJFWSA-N 400.063 5.023 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2cc(F)cc(F)c2[nH]1 586981718 MJXURPPLAULEHX-UHFFFAOYSA-N 409.274 6.230 0 1 HKAF O=C(Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1)NC1CC1 586987681 QIEVPUZYIYKBFO-UHFFFAOYSA-N 421.456 5.103 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC[C@](O)(c1cccc(F)c1)C4)-c1ccccc1C2=O 586995135 IWIINGICTOPETP-HHHXNRCGSA-N 409.460 5.270 0 1 HKAF O=C(O)c1cccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c12 586998543 MJMZCDZSWDFRLE-UHFFFAOYSA-N 423.266 5.270 0 1 HKAF CCCn1cnc2cc(-c3nc4cc(C)c(Cl)cc4[nH]3)cc(Br)c21 587002533 BDJNOIQPRIRRSG-UHFFFAOYSA-N 403.711 5.714 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c21 587032049 YJKXYMCSRMCRON-LLVKDONJSA-N 413.449 5.843 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5cccc(Cl)c5[nH]4)c23)cc1 587038132 LEWPYAAMCHDWPE-UHFFFAOYSA-N 422.966 6.489 0 1 HKAF COc1cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2cc1F 587049224 JJHLXOHSJIWCMU-UHFFFAOYSA-N 402.856 6.851 0 1 HKAF O=C(O)c1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1 587057947 XBXSMLBXEMIJEQ-UHFFFAOYSA-N 403.221 5.407 0 1 HKAF Fc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1Br 587064659 LHRXDDYXBFFVMQ-UHFFFAOYSA-N 421.653 5.957 0 1 HKAF Cc1ccc2c3c(cc(/C=C4/Nc5ccccc5C(=O)O4)nc13)-c1ccccc1C2=O 587097057 NZHQIBFEPGKNRX-XKZIYDEJSA-N 404.425 5.336 0 1 HKAF Cc1c(-c2cc(Cl)cc(Cl)c2O)nc2cccc3c2c1-c1ccccc1C3=O 587104228 QKRNGBOUWUOWPB-UHFFFAOYSA-N 406.268 6.434 0 1 HKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587112968 ISVLUYYOOPITDY-SNVBAGLBSA-N 404.379 6.540 0 1 HKAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(Cl)cc(Br)c2[nH]1 587115997 ITUQZKPRGBIWEQ-UHFFFAOYSA-N 414.012 5.052 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)c(Cl)c2)cc1F 587146966 DEMQJQKUKZFXEU-UHFFFAOYSA-N 414.889 5.401 0 1 HKAF C[C@]1(c2nc3ccc(Sc4ccccc4)cc3[nH]2)C=C(c2ccccc2F)NO1 587153843 AQOSPPNEKPZFDW-HSZRJFAPSA-N 403.482 5.644 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Cl)cc(F)c3[nH]2)c(Cl)c1 587159415 PACDPYREGSUNDP-IBGZPJMESA-N 405.231 6.316 0 1 HKAF Fc1ccc(/C=C(/c2nc3cc(F)cc(Br)c3[nH]2)c2cccs2)cc1 587164884 YCBFTYDMSAAPSV-RIYZIHGNSA-N 417.278 6.254 0 1 HKAF CC[C@@]1(c2ccc(OC(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344047 BMVIGOITTRPTGX-RSXGOPAZSA-N 420.480 5.983 0 1 HKAF O=C1c2ccc(O)cc2OC2(CCC(Cc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 587354427 QPHNSXKZXAXIHB-ZUQPMPHSSA-N 416.492 6.062 0 1 HKAF CSc1cccc([C@]2(c3ccc(F)cc3F)CC(=O)c3cc(C)cc(N)c3O2)c1 587385134 MCQKCOINGSDEOI-QHCPKHFHSA-N 411.473 5.486 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ccc(C(C)(C)C)cc3)cc1)O2 587402981 JQDKTLWYHXMCMI-XMMPIXPASA-N 401.506 6.374 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COCC(F)(F)F)c1)CC2=O 587463380 YHMDFVLUQAFZEY-FQEVSTJZSA-N 424.415 5.139 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)c3ccccc3)cc1)CC2=O 587482511 OVYMRDGRRDWWDW-VWLOTQADSA-N 416.473 5.313 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cnc(Oc3ccc(OC)cc3)s1)CC2=O 587495525 OWHLJYPERKEUNL-IBGZPJMESA-N 411.479 5.309 0 1 HKAF O=Cc1ccc(OC[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525261 UEPDKGPOLILJGM-HHHXNRCGSA-N 412.485 5.318 0 1 HKAF CC(C)(C)OC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587595042 MGYYBPRNTRCQPO-REWPJTCUSA-N 418.445 5.050 0 1 HKAF Fc1ccc(F)c(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(F)(F)F)c1 587622030 UWMNDWMEOSZHMX-UHFFFAOYSA-N 416.147 5.771 0 1 HKAF Fc1ccc(-c2c(-c3ccc(Cl)cc3Cl)[nH]c3ccc(F)c(Cl)c23)cc1 587630901 SMPALMBIZXZDGM-UHFFFAOYSA-N 408.662 7.740 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ncc3ccccc23)N1 587703344 GTUQTRGTTXNIMH-YPMLDQLKSA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CF)(c2ccc(C(F)(F)F)cc2)N1 587710435 CUIPVYNNCGIEGR-BMLIUANNSA-N 420.219 5.354 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CF)(c2ccc(C(F)(F)F)cc2)N1 587712947 MEJLWDWEEOECAZ-QGHHPUGFSA-N 420.219 5.354 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)cc2OC(F)F)N1 587721771 XINWDEBPWSMEOF-NIVTXAMTSA-N 418.228 5.126 0 1 HKAF CC(=O)n1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587756411 KTLVAJKEFACEJD-GTJPDFRWSA-N 415.306 5.001 0 1 HKAF Cc1cccc([C@@]2(c3ccccn3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587773352 QSNSHAIHLKMMOK-OYHNWAKOSA-N 411.318 5.118 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccccc3)o2)N1 587828135 MLYIHWQOOLWCDH-ODXCJYRJSA-N 402.263 5.597 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2C2CCOCC2)N1 587837179 ZXCCBSUCXWYMLS-LRTDBIEQSA-N 404.323 5.106 0 1 HKAF Cc1ccc(NC(=O)CCc2nnc(-c3ccc(CC(C)C)cc3)n2C2CC2)c(C)c1 653737579 ZZTUGIVZKAXQBI-UHFFFAOYSA-N 416.569 5.667 0 1 HKAF Cc1nc([C@H]2Cc3c([nH]c4ccccc34)[C@@H](C3CCOCC3)N2)[nH]c1-c1ccccc1 653740416 BDJVOWCIFUMRCN-ISKFKSNPSA-N 412.537 5.221 0 1 HKAF CCC[C@]1(c2sccc2C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962642024 NIWNBAUGUXIJLD-JYFHCDHNSA-N 402.607 5.847 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2ccc(F)c(F)c2Br)N1 962945643 JIFJWIZZXMNOQL-GIPWTMENSA-N 405.286 5.396 0 1 HKAF COc1cccc(CC[C@H]2CN(Cc3c[nH]c4cc(F)ccc34)CCC2(F)F)c1 1772630453 TUIZDOPIRCAJJS-SFHVURJKSA-N 402.460 5.406 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)C(=CC[C@]21C)O3 2356425301 CINZVIXZRUAXFE-FKUVDJBRSA-N 412.658 7.262 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 2356493593 YWDSWFAFCJJBJI-FHWIJZBRSA-N 420.678 5.410 0 1 HKAF CC(C)(C)c1ccc(C(=O)N2CC[C@]2(C)C(=O)Nc2cccc3ccccc23)cc1 61928720 GIOKTATTWWIPKG-AREMUKBSSA-N 400.522 5.381 0 3 HKAF Clc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccsc2)cc1 95566649 OSBGABCOFYRUBA-UHFFFAOYSA-N 403.732 6.070 0 3 HKAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 4215649 ACBMSPMHMQVVQG-GOTSBHOMSA-N 410.558 5.907 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1[C@H](O)C=C2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 5758860 ZOAXOAKEGDZGLC-PUHROEFSSA-N 402.663 6.360 0 1 HKAF biogenic Clc1ccc2c(c1)C(NC1CCN(Cc3ccccc3)CC1)=Nc1cccnc1N2 13492087 USKVYSVSXWHTPS-UHFFFAOYSA-N 417.944 5.125 0 1 HKAF O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1Cc1ccccc1 13532022 HMNQLGPAVMICRU-UHFFFAOYSA-N 417.306 5.687 0 1 HKAF COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1 17175938 ZJHBIKUBXFSRAI-KHPPLWFESA-N 406.478 5.470 0 1 HKAF C[C@]12CC[C@]3(C1)[C@@H](CC2=O)C[C@@H](OC(=O)c1ccccc1)[C@H]1[C@]3(C)CCC[C@@]1(C)CO 25992476 CFPMRJFTBKYCRR-MRGZRTBESA-N 424.581 5.186 0 1 HKAF biogenic,in-vitro CC(C)c1ccc2oc(N[C@H](Cc3ccc(F)cc3)C(=O)N3CCCCC3)nc2c1 27999730 WAFIOEYGBDWWRK-OAQYLSRUSA-N 409.505 5.126 0 1 HKAF NC[C@@H]1CCC[C@H](CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 28826338 MVOCLUVYCDHXAF-PKTZIBPZSA-N 417.597 5.285 0 1 HKAF COc1ccc(SCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 28886549 HURLGBFAHSRKGY-UHFFFAOYSA-N 410.505 5.018 0 1 HKAF O=C(Nc1ccc(O[C@@H]2CCN(Cc3ccccc3)C2)c(Cl)c1)c1ccsc1 45162490 JYAUOUYGHGWOAE-LJQANCHMSA-N 412.942 5.307 0 1 HKAF CCCN1CCc2c([nH]c3ccc(CC)cc23)[C@@H]1c1cc(OC)c(OC)c(OC)c1 71280994 PTHFHFHSKRDUKM-DEOSSOPVSA-N 408.542 5.114 0 1 HKAF COc1cc(-c2coc3cc4c(cc3c2=O)C=CC(C)(C)O4)ccc1OCC=C(C)C 71318644 DFLROMXVXHQDBU-UHFFFAOYSA-N 418.489 5.998 0 1 HKAF biogenic,in-vitro Cc1ncc(C)c(-c2ccc(Nc3nc4c(s3)CCC[C@H]4c3ccccc3)cc2)n1 73141753 NWZNULJWWABBIT-NRFANRHFSA-N 412.562 6.429 0 1 HKAF Cc1oc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccccc2)nc1-c1ccccc1 82162531 NGEYSUBDATWKAL-JPYJTQIMSA-N 424.548 6.765 0 1 HKAF COCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccc(-c3ccccc3)cc2)n1 82176954 JAXKYYVDMWEXOS-UHFFFAOYSA-N 400.482 5.141 0 1 HKAF NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2C(F)(F)F)c1 95572490 RSRZESOZAMAJGF-UHFFFAOYSA-N 400.400 5.169 0 1 HKAF Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(N[C@H](CO)c4ccccc4)c23)c1 95605275 ACZLAVUSXSLQRQ-OAQYLSRUSA-N 422.488 5.285 0 1 HKAF COc1cccc(OC)c1[C@@H]1CC[C@@H](C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 98176925 SXUMWRLPVZHYBQ-PBHICJAKSA-N 423.431 5.102 0 1 HKAF c1ccc(OCc2nnc3sc(-c4ccccc4Oc4ccccc4)nn23)cc1 103216214 AEVBKCXHGGMCGL-UHFFFAOYSA-N 400.463 5.224 0 1 HKAF Cc1sc(-c2cccnc2)nc1-c1ccc2c(c1)OC[C@@H](c1c(F)cccc1F)N2 103256077 FFNRTDGVBRZAST-IBGZPJMESA-N 421.472 6.004 0 1 HKAF COc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2C)cc1 104700308 HMTQYJCRDXQXDK-HSZRJFAPSA-N 402.494 5.451 0 1 HKAF CC(C)c1ccc(OCc2cn(CCNc3ccnc4cc(Cl)ccc34)nn2)cc1 199101284 FCJZXEMQIRUUTN-UHFFFAOYSA-N 421.932 5.294 0 1 HKAF CN[C@@H](C)CCn1c(C(C)(C)C)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1C 205360170 IXIRGIJRPHFQES-AWEZNQCLSA-N 409.496 5.363 0 1 HKAF C[C@H]([C@@H](O)CCC1CC1)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253633094 HNXXYUFJNVUPGA-XBPKCZGASA-N 400.647 6.114 0 1 HKAF CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@@H]5[C@H]6OC[C@@]5(CCC6(C)C)CC[C@]43C)[C@]2(C)CC1 254081067 XIZAYEJGPTUGCZ-VYOGFADMSA-N 424.713 8.187 0 1 HKAF O=C1C[C@H](CCc2ccc3ncccc3c2)Oc2c(Br)cc(Cl)cc21 299826064 FHPLFMLSZOYSEL-HNNXBMFYSA-N 416.702 5.617 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4c(C(F)(F)F)c(Br)ccc4[nH]3)cc2)o1 586902861 HKYRBYBBELHNPV-UHFFFAOYSA-N 421.216 6.580 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 586915636 GHSALYKCQMXHDR-BFUOFWGJSA-N 419.706 5.195 0 1 HKAF CCCCc1cc(=O)oc2cc(OCc3nc4cc(Cl)cc(F)c4[nH]3)ccc12 586917370 ADSQTZZVMMHBIE-UHFFFAOYSA-N 400.837 5.383 0 1 HKAF COc1cc(/C=C/c2nc3ccc(SC)cc3[nH]2)cc(Cl)c1OCC(C)C 587045975 BGCKTYPIFXNCPV-VMPITWQZSA-N 402.947 6.152 0 1 HKAF CN(C)CCOc1ccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2c1 587050308 NXMWDQVISYGUAP-UHFFFAOYSA-N 419.912 5.303 0 1 HKAF COc1cc(OC)c2[nH]c([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc2c1 587072265 PYMGVTKAZNTHRJ-IDHPINMPSA-N 417.336 6.253 0 1 HKAF Clc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)nc1Cl 587084372 KVKMHZPKUCCXQA-UHFFFAOYSA-N 421.907 5.457 0 1 HKAF CCCCCCc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587099265 DSIROWLVQGSEAC-UHFFFAOYSA-N 405.541 7.544 0 1 HKAF CCCCc1c(CC(=O)c2ccccc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099902 XAUSBBSQRGQWLJ-UHFFFAOYSA-N 419.524 6.523 0 1 HKAF COC(=O)c1cccc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc12 587113754 ZFGLWXZFHFWWJW-UHFFFAOYSA-N 412.367 5.828 0 1 HKAF CC(C)(C)Oc1cc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c(N)cc1F 587136927 ZCYUXFIUCOCOTA-UHFFFAOYSA-N 405.473 5.708 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCOc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 587336500 YNHLXHZXIYVEAE-ISKFKSNPSA-N 424.855 5.612 0 1 HKAF CC(C)(C)[C@]1(Cc2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340864 UPSMBPGXTHQNIQ-RCZVLFRGSA-N 405.469 5.313 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2N2CCCCCC2)[C@@H]1c1ccc(F)cc1 587347911 VRFUPAPRJPMKEH-MZKUHISZSA-N 423.528 5.448 0 1 HKAF CC(C)C[C@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357875 WGXVHOOHNIYMGW-VPUSJEBWSA-N 418.508 6.308 0 1 HKAF COC(=O)c1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 587362631 LEAHMKBVTXDHCA-UHFFFAOYSA-N 409.441 6.110 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(Cl)c(Cl)c1O)O2 587376028 GSXPYYGZYNAEJZ-GFCCVEGCSA-N 417.086 5.059 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(C(C)(C)C)[nH]c3ccc(C(C)C)cc13)CC2=O 587483694 NNPFRCLIKKDZAA-QHCPKHFHSA-N 419.565 6.953 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3csc(C)n3)cc1)CC2=O 587492973 DQRMBNFEJANSPZ-JOCHJYFZSA-N 409.507 5.395 0 1 HKAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COCC(F)(F)F 587502132 TUJMLNWIYVDQHS-OAQYLSRUSA-N 420.427 5.359 0 1 HKAF Cc1ccc(-c2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1Cl 587510280 YHBVXVDUIQOANN-MHZLTWQESA-N 416.948 7.075 0 1 HKAF CCCc1sc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587533586 XVWLUZVMZDKJOV-KRWDZBQOSA-N 405.357 6.048 0 1 HKAF C[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551159 XWPUTCNHSADRBN-WIYYLYMNSA-N 400.352 5.288 0 1 HKAF C[C@@]1([C@@H]2C[C@H]2c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612199 KXKISETYBGHVQQ-XJWDEFRUSA-N 412.894 5.631 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(C(F)(F)F)cc2Cl)N1 587716470 VNRXAHWQYSHBOO-KWKYVRJSSA-N 423.635 5.279 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(SC(F)(F)F)c2)N1 587723434 WZNLPVPFTCRPIX-ABKXIKBNSA-N 420.269 5.824 0 1 HKAF CC(C)c1nn(C(C)(C)C)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587763057 HQGDPZDXTLBZPU-BUXKBTBVSA-N 408.359 5.287 0 1 HKAF CCC[C@@H](CC1(c2nc3cccc(OC)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781079 DPBYCXPFNBCEPR-FQEVSTJZSA-N 420.553 5.933 0 1 HKAF COc1ccc2c(c1)C(C)(C)C[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587812392 ZTYOUCMRFLGWPJ-GTJPDFRWSA-N 404.323 5.056 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cccc(C(F)(F)F)c1 587864437 HCTJPNXLRLBCTR-UHFFFAOYSA-N 400.322 5.976 0 1 HKAF Cc1ccc(-n2c(-n3nc4cc3Oc3ccc(F)cc3-4)nc3ccccc3c2=O)c(C)c1 587875389 KJMCVNJFYDSOAQ-UHFFFAOYSA-N 424.435 5.100 0 1 HKAF CCOC(=O)c1cc(OCC)n(-c2cccc(-c3cccc(OC)c3)c2)c1OCC 587925436 HTFHONZAORHRCT-UHFFFAOYSA-N 409.482 5.127 0 1 HKAF Cc1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2cc1Br 587949901 MQJYFHVWTUPYIA-QXMHVHEDSA-N 405.295 6.597 0 1 HKAF CC1=C(c2ccc(F)cc2)[C@]2(NCCc3cc(C)c(F)cc32)c2ccc(O)cc2O1 962095111 VJFHDWGNIBKTQK-VWLOTQADSA-N 405.444 5.192 0 1 HKAF Cc1ccc(Nc2nc(Nc3ccc(F)cc3)nc3ccccc23)c(-c2cc(C)[nH]n2)c1 1772632866 OEDBOKMXDFRDSO-UHFFFAOYSA-N 424.483 6.263 0 1 HKAF Cc1cccc(Cl)c1-n1cnc2nc(SCCc3ccccc3)sc2c1=O 1857569506 RWZXTOMUAHBQPA-UHFFFAOYSA-N 413.955 5.139 0 1 HKAF CCc1ccc(COc2ccc(C3CN(C(=O)c4ccccc4)C3)cc2OC)cc1 1857569519 VHQTYJLPGSGXOB-UHFFFAOYSA-N 401.506 5.076 0 1 HKAF CCC/C=C1\OC(=O)c2cc(Oc3c(O)cc(O)cc3CCCCC)c(OC)cc21 1857765795 WHHGKVHDFDHMNM-JMIUGGIZSA-N 412.482 5.943 0 1 HKAF CCCCC[C@@H](O)CCCCCCCCCCCCCCCCC=CCC(=O)CC 2356401757 NWNLDNPRHOGSDM-MUUNZHRXSA-N 422.738 9.095 0 1 HKAF CC(C)[C@H](C)C[C@@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356440374 ZHZKWZJLUNXOSN-GTZOGSANSA-N 418.706 6.685 0 1 HKAF CC=C(C)OC(=O)C[C@@H]1[C@H](OC(=O)C(C)=CC)CC[C@H]2Cc3occ(C)c3C[C@@]21C 2356727450 OGARMRCBNAUZBF-ONFVETCGSA-N 414.542 5.454 0 1 HKAF COCc1ccc(-c2c(-c3ccccc3OC)sc3cc4c(cc23)OCO4)cc1 36388684 OPXZOSNBRHDDBX-UHFFFAOYSA-N 404.487 6.119 0 3 HKAF COc1ccccc1NC(=O)O[C@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1[C@H]2Cc1ccccc1 263590726 LQWFHRFFSCPQTM-JMNORXHVSA-N 420.553 5.118 0 3 HKAF COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NC2CCCCC2)c(OC)c1 776970 NIADPIJWIUDKAA-UHFFFAOYSA-N 424.472 5.227 0 1 HKAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCc2ccc(CC)cc2)cc1 2483709 WMKWGGNHFBKOMV-UHFFFAOYSA-N 420.553 5.573 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C=C(C(=O)O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)c1ccccc1 3803448 HNDZOELAFDBECH-JRZBRKEGSA-N 404.550 6.069 0 1 HKAF CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCCOC 4214006 LRCKUVLOJZSZNE-LOSJGSFVSA-N 422.569 5.520 0 1 HKAF C[C@H](C(=O)Nc1ncc(SCc2ncc(C(C)(C)C)o2)s1)c1ccccc1 13490945 FIZSPBCJAWUURL-ZDUSSCGKSA-N 401.557 5.463 0 1 HKAF in-vitro CC[C@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 13522874 XWDAKKDQJHVMKG-WIDNVVCESA-N 410.686 8.009 0 1 HKAF Cc1cc(-c2ccccc2)c2ccn(-c3ccc(C(C)C)cc3Br)c2n1 13794628 NIQBQCGMLBLOAL-UHFFFAOYSA-N 405.339 6.887 0 1 HKAF CC(C)Cc1ccc([C@H](C)C(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1 13862176 ZFPBOJZPCMKUOR-INIZCTEOSA-N 414.501 5.345 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@](C)(C[C@H](O)C3=CC(=O)O[C@@H]3O)CCC[C@]12C 26964055 JSDANYFQRXTLHP-JHBHGAPWSA-N 406.607 5.224 0 1 HKAF O=[S@](Cc1ccc(Cl)cc1)c1cc2nc(C3CCCCC3)[nH]c2cc1Cl 29047271 YOKLQOQVQYIXAR-SANMLTNESA-N 407.366 6.225 0 1 HKAF COc1cc(-c2nc(C(Cl)(Cl)Cl)nc3ccccc23)cc(OC)c1OC 29130123 UZIHBNXQRUTUJL-UHFFFAOYSA-N 413.688 5.149 0 1 HKAF COc1cc(/C=C/C(=O)NCc2cccc(-c3ccccc3)c2)ccc1-n1cnc(C)c1 34642332 WYNFTTCEVWPHGN-WYMLVPIESA-N 423.516 5.186 0 1 HKAF CC(C)n1cc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)cn1 35951327 JHPYCETZLQWNOY-LLVKDONJSA-N 409.292 5.694 0 1 HKAF CC[C@H](c1ccccc1)[C@@H]1C(=O)CC(Cc2ccccc2)(Cc2ccccc2)OC1=O 58512905 SVKAWNDHMZZVIH-AOYPEHQESA-N 412.529 5.537 0 1 HKAF COc1cc(OC)cc(-c2cn(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)nn2)c1 59242754 YHQFPHOBTLRYEX-VZLKJUJQSA-N 409.574 6.382 0 1 HKAF O=C(c1ccncc1)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccc(Cl)cc1 64504052 CRIZRAGWKRAOCP-FQEVSTJZSA-N 401.853 5.473 0 1 HKAF CCCC[C@@H](c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCCCC1 73220558 PPRCXCTUKWJNLM-NDEPHWFRSA-N 404.642 7.057 0 1 HKAF CC[C@@H](C)NC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc(C)c1 82146193 VXECLMJYEVDLDN-MRXNPFEDSA-N 408.933 5.246 0 1 HKAF Cc1ccc(Nc2nc3cc(C(N)=O)ccc3n2Cc2cccc3ccccc23)cc1 82191403 KMNWWPMJWBSVPS-UHFFFAOYSA-N 406.489 5.389 0 1 HKAF CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2cc(O)c(F)cc2O1 95576700 OIMUGDHKUVYDHD-IPVFLDMMSA-N 406.626 8.054 0 1 HKAF Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2cccc(Cl)c2)s1 96927947 QHNXZMWGDCUUFW-UHFFFAOYSA-N 410.926 5.521 0 1 HKAF CC1=C(c2ncnn2C2CCCC2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 101668727 NLJVBVXLKNRANH-LJQANCHMSA-N 415.328 5.343 0 1 HKAF CCCCNc1ncc(C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccccc2F)n1 105185769 JFSQJLUSRGTJBT-ZFDALGJYSA-N 424.564 5.295 0 1 HKAF Cc1nc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccco2)sc1C 105193234 FUNYGCWESFUBLP-FRJURHEUSA-N 408.571 5.960 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CN=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)c1c(F)cccc1F 169714168 ZVOZPZBEWNXSAO-IVFONSFGSA-N 413.508 5.420 0 1 HKAF CC(C)c1ccc(C(=O)c2ccco2)c(SCCCCCCCCN(C)C)n1 231402727 SMSADWUAETZEMG-UHFFFAOYSA-N 402.604 6.023 0 1 HKAF CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC(C)=O)CC[C@@]45C[C@@]35CC[C@]12C 255220453 IXKWMHYTPDVHMP-DCGBGGOISA-N 414.678 5.538 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C)C(C)C 255262049 RBKDJWIIGGRRML-XNWGYWBRSA-N 408.670 7.641 0 1 HKAF FC(F)(F)c1nc(Cl)[nH]c2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc1-2 587047984 DNQNRFNZXBPTIT-NTSWFWBYSA-N 407.610 5.555 0 1 HKAF FC(F)(F)Oc1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Cl 587048610 ISJNLYQKZVFQAZ-JGVFFNPUSA-N 421.633 6.693 0 1 HKAF Cc1c(Br)cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1C 587062077 BFNDWJRHAPEEEO-UHFFFAOYSA-N 402.679 5.918 0 1 HKAF FC(F)(F)c1cc(Br)cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc12 587084695 RIKDIZJIIMFJFJ-UHFFFAOYSA-N 411.008 5.713 0 1 HKAF FC(F)=C(C[C@H]1CCCN1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587088061 IJRUBTRXXBDGBW-MRVPVSSYSA-N 410.184 5.094 0 1 HKAF CCc1c(-c2cccc(C(F)(F)F)c2)nc2cccc3c2c1-c1ccccc1C3=O 587102539 ACFXAHVBPTYRDH-UHFFFAOYSA-N 403.403 6.694 0 1 HKAF CC1CCN(c2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)CC1 587104828 KHTUZXQMNHNRRF-UHFFFAOYSA-N 404.513 6.350 0 1 HKAF FC(F)(F)c1cc(Cc2nc3cc4c(cc3[nH]2)OCCCO4)cc(C(F)(F)F)c1 587110419 VYJBHGRQWBPIAU-UHFFFAOYSA-N 416.321 5.353 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CC[C@H](c3ccc(F)cc3)C2)[C@@H]1c1ccc(F)cc1 587332836 KBRQKEHWBGGZPI-YRSQORNKSA-N 406.428 5.736 0 1 HKAF COc1cccc(-c2c([C@@H]3CCCCC34OCCO4)cnc3c2oc2ccccc23)c1 587365998 PKOVBCYFDHVYBC-NRFANRHFSA-N 415.489 6.057 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(COc4ccc(F)c(Cl)c4)o1)[C@@H](C2)C3=O 587425674 GFGNHWVLOFKLPO-NYHFZMIOSA-N 414.816 5.148 0 1 HKAF CCC[C@H]1C(=O)N2CCCc3cccc(c32)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587521074 ACUGZDZSPBTVDX-WXVAWEFUSA-N 415.533 5.135 0 1 HKAF O=C1C[C@H](c2c(-c3ccccc3)nc3sccn23)Oc2c1ccc1c2CCCC1 587537136 AZBLBEQRIBGKJN-HXUWFJFHSA-N 400.503 5.648 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1COc1ccccc1 587595314 RFBTUAWDQCXZNU-RPLLCQBOSA-N 424.452 5.674 0 1 HKAF Cc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622309 JCWYNPIKRIPKFE-UHFFFAOYSA-N 410.193 5.681 0 1 HKAF CCOC(=O)Cc1[nH]c2c(C)cc(Cl)cc2c1-c1cc(F)c(Cl)nc1Cl 587624495 KJZNRAHHIIRFAP-UHFFFAOYSA-N 415.679 5.743 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3ccc(Cl)cc23)N1 587699444 QFGKFTPHSFGXGH-DGIBIBHMSA-N 407.714 5.521 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCOc3cc(Cl)ccc32)N1 587701552 UYQLJCOTJBYLGH-JEOXALJRSA-N 410.714 5.192 0 1 HKAF Cc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587708823 DZXBEKXPQWHZSM-DIFFPNOSSA-N 402.229 5.237 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(Cl)c(Cl)c2)N1 587715991 CYNZYHAZQMQNMG-GYKQLYQFSA-N 407.085 5.658 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3cc(F)ccc32)N1 587731126 KJXGLDQQAOXIOU-YBTHPKLGSA-N 408.286 5.066 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)CN(C)Cc2ccccc2)N1 587738857 DDTWYPSWZXDJNF-QVKFZJNVSA-N 419.382 5.322 0 1 HKAF COC(=O)c1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1OC 587783950 JTYVMCCPSGVAIY-GDNBJRDFSA-N 414.461 5.108 0 1 HKAF CCOc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCC 587800380 GKOGELKPQZNXJF-CWTRNNRKSA-N 408.311 5.009 0 1 HKAF CCOc1cc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)C 587801128 ITTLORQWNPXQCM-JLCFBVMHSA-N 420.366 6.042 0 1 HKAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)(C)C 587807851 OBRSFOIWRTVYIM-YUNKPMOVSA-N 406.339 5.518 0 1 HKAF Cc1cc(C)c(C(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587812637 JZFYROPGMZVHCX-QRQCRPRQSA-N 418.350 5.536 0 1 HKAF CCCCCCC1(CCCCCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587813699 PGEBIVRMZFSTRU-KRWDZBQOSA-N 412.431 7.259 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(N(C)C)c1 587858976 RFOOHOGOMJHRSB-UHFFFAOYSA-N 404.297 5.010 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(-c2ccc(OC)cc2)s1 587871845 DUIMHOIVQIMCMU-UHFFFAOYSA-N 422.481 5.514 0 1 HKAF CC[C@]1(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CC(=O)c2ccccc2C1 587962250 WJRSAUSIZJGEEM-HXUWFJFHSA-N 422.834 5.883 0 1 HKAF Brc1ccc2c(c1)[C@@H](c1ccc(CN3CCCCC3)s1)NC1(CC1)C2 961614866 MOFWYPBLDFLUPB-FQEVSTJZSA-N 417.416 5.264 0 1 HKAF CCCOc1ccc([C@]2(CCCCCC(=O)O)NCCc3ccc(F)c(C)c32)cc1 962300628 PUNJPNJGVHVHLN-VWLOTQADSA-N 413.533 5.347 0 1 HKAF COC(=O)c1cc(F)cc(-c2cccc([C@]3(C)NCCc4ccc(F)c(C)c43)c2)c1 962379855 VTBUBSKXOVJQDP-VWLOTQADSA-N 407.460 5.136 0 1 HKAF COc1ccc2c(c1OC)C(c1cccc(F)c1)(c1cccc(F)c1)N(C)[C@@H](C)C2 962643816 YAIBVUCAWWYXKL-INIZCTEOSA-N 409.476 5.150 0 1 HKAF CC(C)(C)[C@@]1(c2cccc(Cl)c2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962672370 SXNZNLCYANHTAT-LOSJGSFVSA-N 422.956 5.277 0 1 HKAF CC(C)(C)C[C@@]1(c2ccc(Cl)cc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962698704 JGYZNEXHSUQNOF-YADARESESA-N 418.021 6.523 0 1 HKAF Cc1ccnc2c1CCN[C@]21CC(C)(C)CC2=C1[C@@H](C(C)C)Nc1ccccc1N2 963068238 KHHAKJHHVBYQEX-BVAGGSTKSA-N 402.586 5.367 0 1 HKAF COc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)c2c(F)cccc2C[C@@H]2CCCN21 963108544 TXNBERMGKZGNHM-DCFHFQCYSA-N 413.492 5.532 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)NCC[C@@]43C)[C@H]1CC=C2c1cncc(C(F)F)c1 1772616337 QCQHONZVRCJAEE-FLYOUTEMSA-N 414.540 5.781 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356406672 CPQUIAPJXYFMHN-HZYLDEFPSA-N 400.691 7.635 0 1 HKAF CC(C)=C[C@@H]1C[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@]23C)O1 2356527110 WQLADPPAYVUSAB-DAGZVVELSA-N 403.610 6.938 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)C[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356630436 PQYKVCXXAVOWQO-QHJVPISWSA-N 402.663 6.360 0 1 HKAF CC(C)=CCCC(C)=CCC[C@](C)(O)[C@@H]1Cc2c(O)c(C(=O)O)c(C)c(Cl)c2O1 2356719915 LGWHIUKSRDCMLJ-SBUREZEXSA-N 422.949 5.580 0 1 HKAF CC[C@@H](C)NC(=O)C=CC=CCCCCCCCCC=Cc1ccc2c(c1)OCO2 2356783651 LTJAHMIACAATBL-JOCHJYFZSA-N 411.586 6.576 0 1 HKAF CC1=C(Cc2c(O)cc(C)oc2=O)[C@]2(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@]3(C)[C@@H]2CC1 2356798421 PGQIYFXKLHRAJW-QYGAUKOWSA-N 414.586 5.526 0 1 HKAF COc1cccc(Nc2nc(-c3sc(NC(=O)c4ccco4)nc3C)cs2)c1 8578265 MLLKTOICHBSFMD-UHFFFAOYSA-N 412.496 5.173 0 3 HKAF aggregator COc1cc(OC)c2c(-c3cccc(-c4ccc(C(C)=O)cc4)c3)cc(=O)oc2c1 13814256 ZTMDVTXFGUWPEU-UHFFFAOYSA-N 400.430 5.347 0 3 HKAF aggregator CN(C(=O)[C@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1)c1ccccc1 61925743 YJMZDGNSGJGFJY-RUZDIDTESA-N 422.484 5.507 0 3 HKAF FC(F)(F)c1cccc(NC(=S)O[C@H]2CCC23CCC(c2ccccc2)CC3)c1 205707024 GGQYRQYZJUFIDG-DHHCDUQHSA-N 419.512 6.925 0 3 HKAF Nc1sc2c(c1C(=O)c1ccc3ccccc3c1)CCN(Cc1ccccc1F)C2 13493375 HAVIGAPJESFQHK-UHFFFAOYSA-N 416.521 5.412 0 1 HKAF C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4ccccc4Cl)cn3)[C@H]12 13673170 KXTKJCGGOSDGEO-ALOJTJLXSA-N 421.968 6.419 0 1 HKAF O=C1CCCCCCCCCCCCCCCCCCCCC(=O)OCCCC1 14454635 ZBDDNIFFGBJABU-UHFFFAOYSA-N 408.667 8.085 0 1 HKAF biogenic CC(C)=CCc1cc(-c2cc(=O)c3c(O)c(CC=C(C)C)c(O)cc3o2)c(O)cc1O 14727559 ISRPBJYOYHIQFU-UHFFFAOYSA-N 422.477 5.300 0 1 HKAF biogenic Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C=C2 14767670 BIXWVSLNTIFDQN-DQCZWYHMSA-N 414.674 8.612 0 1 HKAF biogenic,in-vitro COC(=O)c1cccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1 26944138 NBZXLCUOSZMWEC-UHFFFAOYSA-N 422.937 5.817 0 1 HKAF Cc1ccc(CO[C@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc1C 27546408 VIENDCBBXXVUAM-WDYNHAJCSA-N 411.589 6.115 0 1 HKAF CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1O)c1ccccc1 29306967 OXZYHPISEOYZMO-WNAAXNPUSA-N 403.522 5.407 0 1 HKAF N=C(N)CCCC[C@H]1C(=O)N(CCCCCc2ccccc2)[C@H]2Cc3ccccc3[C@@H]21 29399909 QKUOYYOPSMNOBQ-RMTZWNOUSA-N 417.597 5.063 0 1 HKAF C[C@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@@H](N)c2ccccc2)c1 29409837 NBDIZIFCDBWQLF-OFEZKSIWSA-N 404.642 6.663 0 1 HKAF COc1ccccc1C(=O)[C@H]1c2ccccc2-c2ccccc2N1C(=O)c1ccco1 40429300 SKIHTUPOBCPDCP-XMMPIXPASA-N 409.441 5.540 0 1 HKAF CNc1nc(NCc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c2ccccc2n1 45257488 ITHDRVHVMMIWSS-UHFFFAOYSA-N 417.900 5.189 0 1 HKAF CCCCc1sc2ccccc2c1-c1ccc(-c2ccc(OCC(=O)O)cc2)cc1 49054812 SPUFCGGPWNIDCG-UHFFFAOYSA-N 416.542 7.041 0 1 HKAF CCCCC[C@H]1C=C[C@H](CCCCC[C@H](C(=O)O)[C@H](O)CCC2(O)CCCC2)CC1 85492916 WPPKZMUCJIDWFE-NEWJYFPISA-N 422.650 6.247 0 1 HKAF biogenic,in-vitro CCCN(CCC)C(=O)/C=C/c1c(/C=C/c2ccc(OC)cc2)cc(OC)cc1OC 95587598 WALKEHMKBYERLO-IIXCLMFLSA-N 423.553 5.545 0 1 HKAF Cc1ccc(-c2ccc(C(=O)O)c(NS(=O)(=O)c3ccccc3)c2)c2ccccc12 103239724 SXIBWFYNKCLBAD-UHFFFAOYSA-N 417.486 5.314 0 1 HKAF CC1=C(O)/C(=C/[C@@H](C)CC/C=C(\C)CCCc2coc(Cc3ccoc3)c2)OC1=O 105372503 YIWFEASCLZQHBJ-OWCWDOIGSA-N 410.510 6.421 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)NCC[C@@]43C)C1=CC=C2c1cncc(C(F)F)c1 144199629 BVPDXIBTKNYRAL-XAHKRDIJSA-N 410.508 5.622 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-c2nccs2)c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c1ccc(NC(=O)c2ccc(-c3ccc(OC)cc3)cc2)cc1 473086672 CCBAAPZKYQLOHG-UHFFFAOYSA-N 418.537 5.335 0 1 HKAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(Br)c(Br)cc3[nH]2)cc1 586892249 WEFBHVNPZBADGN-HWPZZCPQSA-N 424.136 5.233 0 1 HKAF N[C@H](Cc1cccc(Br)c1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 586984781 UTISKFNNUDZTHF-GOSISDBHSA-N 424.367 5.719 0 1 HKAF CCOc1cc2oc(=O)c(-c3nc4cc(CC)ccc4[nH]3)cc2cc1Br 586997321 BMUXOLPECBQXEO-UHFFFAOYSA-N 413.271 5.060 0 1 HKAF Cc1ccc(-c2nc(-c3nc4cc(Br)c(F)cc4[nH]3)c(C)s2)cc1 587012559 CDMJWACHIPZOCB-UHFFFAOYSA-N 402.292 5.872 0 1 HKAF CCc1cc(OCc2nc3c(Cl)c(Br)cnc3[nH]2)ccc1Cl 587052746 KVOKLJKHFYDSGT-UHFFFAOYSA-N 401.091 5.169 0 1 HKAF Nc1ncc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(-c2ccccc2Cl)n1 587061593 VXOVJCNRLVWIKA-UHFFFAOYSA-N 413.868 5.715 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1 587071340 KEPNPJFWWGEQLA-VNHWOPEZSA-N 419.283 6.073 0 1 HKAF Cc1cc(Cl)cc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 587071651 MHDPRFTUKINOMY-UDTIMXDYSA-N 405.756 7.198 0 1 HKAF Cc1ccc2c3c(cc(-c4cnc(Nc5cccnc5)s4)nc13)-c1ccccc1C2=O 587101078 CUQTWJKBMINIRQ-UHFFFAOYSA-N 420.497 6.017 0 1 HKAF COc1c(F)ccc(F)c1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587132660 HUPGHEJMULCCNT-UHFFFAOYSA-N 407.136 5.298 0 1 HKAF Cc1cc(Cl)cc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c12 587154852 SVUTXTXMEFATQI-UHFFFAOYSA-N 415.877 5.132 0 1 HKAF Cc1c(Br)cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1C 587192892 IWDSKNLWPBENHL-UHFFFAOYSA-N 420.354 6.149 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CSCc3c(F)cccc32)[C@@H]1c1ccc(F)cc1 587328374 ABEVVAZVNINQAU-FYYLOGMGSA-N 410.441 5.172 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCSc3ccc(F)cc32)[C@@H]1c1ccc(F)cc1 587334165 LODOJUWXQLRKOU-FYYLOGMGSA-N 410.441 5.421 0 1 HKAF CC(C)(C)[C@@]1(CCC2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353502 LBWXLEQBARJGDM-OZXSUGGESA-N 410.529 6.646 0 1 HKAF CCCCC[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358575 WSWRCLZLZQKKKY-AHWVRZQESA-N 420.480 6.072 0 1 HKAF CC(=O)SC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587369690 NPMCMNLOGZLLKN-LADGPHEKSA-N 422.477 5.065 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Br)cc1C(F)(F)F)O2 587383516 XZJOKVSLTYQNAC-KRWDZBQOSA-N 414.221 5.239 0 1 HKAF CC[C@]1(c2ccc(OCc3ccccc3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444038 RFGQAPZHUFKNON-ATIYNZHBSA-N 400.474 5.327 0 1 HKAF COc1ccc2cc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2c1Cl 587500526 PMKYNKPMZMOYHW-VWLOTQADSA-N 406.909 6.261 0 1 HKAF COc1cccc(Br)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587500976 VRDVAHGJHVIIQN-OAQYLSRUSA-N 401.300 5.217 0 1 HKAF CCOc1ccc([C@@]2(CCCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587527840 ZAJCWMQKYKWQMV-RUZDIDTESA-N 408.494 5.080 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccccc1 587594262 NREPOUFMEMBTHD-SQHAQQRYSA-N 424.452 5.674 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1cccs1)c1cccs1 587612175 KSVFZZNHWUYTRE-REWPJTCUSA-N 420.511 5.615 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2ccc(Br)cc2)N1 587683621 VDYDPJXYNKRPJW-BMLIUANNSA-N 413.128 5.169 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(C(C)(C)C)N1 587698031 HIOXNDPAPUBPIO-FKIZINRSSA-N 410.758 6.066 0 1 HKAF COc1c(F)cc(F)cc1/C=C/[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587715462 CQVDTTMDBVWWLO-KIIDXZQESA-N 412.249 5.164 0 1 HKAF CC(=O)n1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587756421 KTLVAJKEFACEJD-XUSGNXJCSA-N 415.306 5.001 0 1 HKAF COc1cccc(OCc2ccc(-c3nc4c(Br)cc(C)cc4[nH]3)cc2)c1 587780711 GHOZFRKFZZIVLN-UHFFFAOYSA-N 423.310 5.888 0 1 HKAF CCOc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCC)c1 587802097 PWOSSPSIJSPALU-ASSNKEHSSA-N 422.338 5.183 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC2CCCC2)(c2ccccc2)N1 587814120 GCZGQJIPIVNCNV-OYHNWAKOSA-N 402.351 5.946 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2Cc2ccccc2)N1 587824204 VLMDTLGLHSBEPL-QRFQSNJMSA-N 402.351 5.751 0 1 HKAF Cc1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(F)cc3)cs2)cc1 587921820 AYRBKSTXWTUMLG-FQEVSTJZSA-N 413.521 6.509 0 1 HKAF CC(C)Oc1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cc1Br 587950913 ORVBIXPTPCDGBE-UHFFFAOYSA-N 419.363 5.598 0 1 HKAF C[C@H]1C[C@]2(NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c2ccccc2S1 962963734 YWCIAXQTFAAKLS-OYHNWAKOSA-N 419.512 5.485 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@H]2c1ccc2oc(C(=O)c3ccccc3)cc2c1 963260485 XEHFJQJSYLMWDA-XMMPIXPASA-N 417.892 5.561 0 1 HKAF Cc1cc(-c2nc(-c3ccc(F)c(OCC4CCC4)c3)n3c2CCOCC3)cc(C)n1 1772606248 VYTGSANRWGQHAA-UHFFFAOYSA-N 421.516 5.120 0 1 HKAF Nc1c2c(nc3c1[C@@H](c1ccccc1)c1c(n[nH]c1-c1ccccc1)O3)CCCCC2 1772621102 PONJYBZPSQGCKO-HXUWFJFHSA-N 408.505 5.609 0 1 HKAF CC(C)(C)c1ccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)O)cc2)cc1 1857767743 FAJPURPSCYIIOW-UHFFFAOYSA-N 401.506 5.458 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C[C@H]1CC3 2356328624 CYEADWAQMXQSDD-NJLPMXIZSA-N 400.691 7.923 0 1 HKAF CC=C(C)C(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@](C)(CC(=O)O)O[C@@]3(C)CC[C@H]12 2356515074 ZKBZRVVQDYSKMH-SYUWAQBESA-N 420.590 5.521 0 1 HKAF CC(=CCCc1coc(Cc2ccoc2)c1)CCC[C@@H](C)C=C1OC(=O)C(C)=C1O 2356561516 GOKZWKYAKOVREM-GOSISDBHSA-N 410.510 6.421 0 1 HKAF CC1(C)[C@H](O)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@@H]5CCC(=O)O5)CC[C@@]4(C)C3=CC[C@@H]12 2356564531 SGQMUBHNHIZPSY-NVGCUZIISA-N 400.603 5.658 0 1 HKAF COc1cc(C)c2c(c1)CC[C@@](C)(CCC=C(C)CCC=C(C)CCC=C(C)C)O2 2356630345 MLDWXXNWZJMFMZ-MUUNZHRXSA-N 410.642 8.287 0 1 HKAF CC1=C(C(C)C)[C@@]1(C)C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356807575 XWJYKMIJDLSPOV-DVBCUZGCSA-N 424.713 7.945 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 5249403 AWYDNKRGSOPYQB-OPFSHBAASA-N 400.691 7.779 0 1 HKAF endogenous,in-man C[C@H]1CCC([C@@H](C)[C@@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)=NC1 6037426 JMSRDKIFVZVAMX-LKHADGEJSA-N 413.646 5.404 0 1 HKAF biogenic CCCCc1nc2ccccc2n1Cc1ccc(O[C@@H](C(=O)O)c2ccccc2)cc1 11687552 RVGDQMKIRQYBTA-RUZDIDTESA-N 414.505 5.632 0 1 HKAF CC(C)Oc1ccc2c(c1)C(C1CCCC1)=C(C(=O)O)[C@H](c1ccc3c(c1)OCO3)O2 13473459 FMCJZFZHWFVXMF-DEOSSOPVSA-N 422.477 5.365 0 1 HKAF Fc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc(F)c(F)c3)n2)cc1 13582676 OHAQDYMEPKKRBF-UHFFFAOYSA-N 418.382 5.014 0 1 HKAF CC1(C)C=Cc2c(cc3c(c2O)[C@H]2Oc4c(ccc5c4CCC(C)(C)O5)[C@H]2CO3)O1 15251917 FOPGCVXFFKCRHR-MWTRTKDXSA-N 406.478 5.290 0 1 HKAF biogenic CCN(CC)CCC[C@@H](C)Nc1nc(-c2ccccc2)cc(-c2ccc(O)cc2)n1 28562963 BNUZEQUWGAJINO-LJQANCHMSA-N 404.558 5.439 0 1 HKAF O=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3ccccc3)cc1)n2C1CCCC1 28572185 MOBWPWFLKIDCCI-UHFFFAOYSA-N 412.489 6.096 0 1 HKAF CCc1ccc(OC)c2cc(-c3ccc(-c4ccc5cc(C(=O)O)ccc5c4)[nH]3)oc12 29464785 ZQUYXMNCUPSPRI-UHFFFAOYSA-N 411.457 6.517 0 1 HKAF COc1cccc2c1-c1ccc3c(c1[C@H]([C@H]1C=CCCCCC1)O2)C(C)=CC(C)(C)N3 29467904 NYZPSKBMSBIASN-PPHZAIPVSA-N 415.577 7.540 0 1 HKAF CCCc1cc(NC)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2n1 36351881 JLDGJZRXFXDALD-KPKJPENVSA-N 413.443 5.900 0 1 HKAF COc1cc2c(cc1OC)Sc1ncnc(Sc3cccc(Cl)c3)c1NC2 38149513 DEKIBPPKPXYNSY-UHFFFAOYSA-N 417.943 5.375 0 1 HKAF CC[P@@](=O)(Cc1cccc(C(=O)Nc2cc(-c3cccs3)ccc2N)c1)OC 40408425 ROPGCNDHOFSSDM-MHZLTWQESA-N 414.467 5.694 0 1 HKAF C/C(=C\Cn1c[n+](C)c2ncnc(N)c21)CC[C@]1(C)C2=C(CC[C@H]1C)C(C)(C)CCC2 40413265 DEFHXOODJAASPT-WJTYHXLWSA-N 422.641 5.507 0 1 HKAF COc1cc2nccc(Oc3ccc(Cl)cc3C(=O)c3ccccc3)c2cc1OC 40938378 JFKFGGUYOYQOOH-UHFFFAOYSA-N 419.864 5.929 0 1 HKAF CCCCC[C@H](C)NCc1coc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n1 72181410 FPQSWJFTBRDNGN-SFHVURJKSA-N 412.961 6.632 0 1 HKAF O=C1[C@@H](c2ccccc2Cl)C[C@H](c2ccccc2Cl)C(=O)N1Cc1ccccc1 73197422 FLHRKKAPUNVUEY-WOJBJXKFSA-N 424.327 5.820 0 1 HKAF CC[C@@H](C)Cn1c(C[C@H](C)c2ccccc2)nc2c(NCc3ccccc3)ncnc21 82178633 OVMBCURBKBDTDH-UXHICEINSA-N 413.569 5.831 0 1 HKAF COc1ccc(-n2c(CCC(=O)Nc3ccc(C)cc3Cl)nc3ccccc32)cc1 84635332 KZFDQHXNCBOKEM-UHFFFAOYSA-N 419.912 5.567 0 1 HKAF CCOc1ccc(-n2cnc3cc(NCc4ccc(CC)cc4)cc(C(=O)O)c32)cc1 95594281 FOVLYTNYLLJNDO-UHFFFAOYSA-N 415.493 5.297 0 1 HKAF COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2-c2ccc3c(c2)OCO3)cc1 95595024 DQPYGBNGRWHSPW-VMPITWQZSA-N 420.461 5.287 0 1 HKAF C/C(=C(\c1ccccc1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(F)cc1 96915218 HLRMEZQEOUSDAA-SLMZUGIISA-N 415.552 6.669 0 1 HKAF CC1=C2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@]2(C)CC[C@@H]1C 100823683 LGVXVLHBYPSFGC-FFOBPZKISA-N 424.713 8.089 0 1 HKAF endogenous,in-man COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N3)cc1 103647331 ZHLYVXWEQKXHNT-HXUWFJFHSA-N 417.484 6.075 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118924018 ATSOHKZZFSOWDR-OBMIQIPGSA-N 416.734 7.961 0 1 HKAF C[C@@H](CN(C)C)c1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1 149951092 DJBSYSGWCIKMNS-LBPRGKRZSA-N 412.942 5.434 0 1 HKAF COc1cnc2ccc([C@H](C)c3nnc4c(F)cc(-c5cc(C)ns5)cn34)cc2c1 166096508 JBBFCPDEWSTXGG-ZDUSSCGKSA-N 419.485 5.009 0 1 HKAF CC(C)c1ccc(NC(=O)[C@H](CC(=O)c2cccc3c2CCCC3)n2ccnc2)cc1 169333864 OHWCNPZBPCNNLR-DEOSSOPVSA-N 415.537 5.338 0 1 HKAF O=C1N=C2/C(=C/c3cccc4ccccc34)CNC[C@@H]2[C@H](c2cccc3ccccc23)N1 169729985 PDBATHWNPGJGIP-OMCNHARHSA-N 417.512 5.501 0 1 HKAF COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3c2s1 207594476 AYALTLXRNITQHK-UHFFFAOYSA-N 404.282 5.262 0 1 HKAF CC[C@@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 256442044 LGJMUZUPVCAVPU-BZWLGYPPSA-N 416.734 8.105 0 1 HKAF CC1(C)C=C[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 257402586 DAYKSLOBCZJGHS-KRFXKDPMSA-N 424.713 7.945 0 1 HKAF endogenous,in-man NCCCNCCCN[C@H](CCC[C@H]1C[C@H]2CC[C@H]1C2)CC[C@H]1C[C@H]2CC[C@H]1C2 299846994 OZUNTJMPRIGUIC-SYHOONMVSA-N 403.699 5.096 0 1 HKAF COc1cc(C(=O)c2c(-c3ccccc3)[nH]c3cccc(F)c23)cc(OC)c1OC 473105553 SVGVDGHQQSNGSS-UHFFFAOYSA-N 405.425 5.231 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(Br)cncc4[nH]3)cc2)CC1 586879717 HWAGFOLNTOBVBX-WKILWMFISA-N 412.375 6.851 0 1 HKAF OCc1cccc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 586895081 NTENPSKFSZWKKM-UHFFFAOYSA-N 409.283 5.064 0 1 HKAF CCCCCOc1cc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2cc1Br 586903603 QGVMWCVGTURDCO-KXBFYZLASA-N 415.331 5.463 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](C(=O)c1ccccc1)CCC3 586989580 BSPRWOINUOZDKH-LJQANCHMSA-N 405.453 5.455 0 1 HKAF COc1ccc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2c1 587005305 SCZROCDQHOKKSR-UHFFFAOYSA-N 413.113 5.146 0 1 HKAF Cc1ccc2c3c(cc(-c4ncc(Br)s4)nc13)-c1ccccc1C2=O 587101769 MGTAQWOATGCXPF-UHFFFAOYSA-N 407.292 5.641 0 1 HKAF FC(F)(F)c1cccnc1-c1nc2cc(Br)c(Br)cc2[nH]1 587108743 QLXAJXUJTVSJOZ-UHFFFAOYSA-N 421.014 5.169 0 1 HKAF Fc1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1Br 587113226 UFSMSAFGSZIXEB-UHFFFAOYSA-N 410.168 5.699 0 1 HKAF Cc1cc(-c2nc3c(C(C)(C)C)cccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587126335 XURIRHPZEFXVER-UHFFFAOYSA-N 411.449 5.097 0 1 HKAF Fc1cc(Br)c(Cl)cc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587136876 PCHBHESZTRCQPD-UHFFFAOYSA-N 409.621 5.110 0 1 HKAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4c(F)cnc(Cl)c4[nH]3)c(F)c2)c1 587138442 IYANYXLHBVBOQN-UHFFFAOYSA-N 403.747 5.061 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1F 587152181 XFNLHBJTERZFRV-IBGZPJMESA-N 406.766 5.941 0 1 HKAF C[C@]12CC(=O)[C@@H]3[C@H](CCC4=Cc5nc6cccc7c6c(c5C[C@]43C)CC7)[C@@H]1CCC2=O 587214465 ARXVSBVUHQCDLW-PUULQRCQSA-N 411.545 5.264 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1coc3ccc(O)cc13)O2 587384718 NQGLCPXDGQEJLL-XMMPIXPASA-N 403.409 5.077 0 1 HKAF CCc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587393052 YNAAFLUQAGJRFP-VWLOTQADSA-N 423.516 5.699 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1c(N)sc3c1CC[C@H](C)C3)O2 587415182 QIIKAHRBCHCDNM-HWRSSNJWSA-N 418.562 5.255 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccc(CC(C)C)cc1)(c1cccs1)[C@@H](C2)C3=O 587453647 XYGWDGYSLUHEKC-NBGIEHNGSA-N 404.531 5.646 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(F)F)c(OCC3CC3)c1)CC2=O 587466960 RGCNLKRUXGNXDW-HXUWFJFHSA-N 418.436 5.441 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccsc1)([C@@H](O)c1ccsc1)CC2=O 587498067 YNRJRKPEIRKSCA-LEWJYISDSA-N 400.521 5.062 0 1 HKAF O=C1C[C@@H](c2ccc3cc(Br)ccc3c2)Oc2c1ccc1c2CCCC1 587499270 SFGIRIAZTMRXSO-QFIPXVFZSA-N 407.307 6.188 0 1 HKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1-c1cc3ccccc3cc12 587529263 MOKCUAIJQIIMNT-LJAQVGFWSA-N 402.493 6.608 0 1 HKAF COc1ccccc1C1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2O1 587533826 WSWZOFZBIQXPIP-MUUNZHRXSA-N 424.496 5.868 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)nc1Cl 587555943 MSHYAFYBSMDOQI-MAUKXSAKSA-N 421.758 5.162 0 1 HKAF Cc1c(-c2ccc(C(F)(F)F)c(F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587623086 YNVUXSNJULHTNO-UHFFFAOYSA-N 412.184 5.940 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)F)c(C(=O)c3cccs3)c2c1 587642337 RGESGBOQEZZEGM-JTQLQIEISA-N 401.400 6.628 0 1 HKAF O=C(CCSc1ccc(F)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659263 ZUOQOZGEBPIFMN-UHFFFAOYSA-N 422.456 5.164 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2ccccc2Cl)N1 587697882 PLSCBWCCIJFLPD-XTZNXHDOSA-N 420.713 5.255 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(F)(F)F)(c2ccccc2)N1 587709284 KDXAQRRRRKTAJP-APPDUMDISA-N 402.229 5.318 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(F)cc3)cc2)N1 587730411 FTEAYHHNOSZLRY-WHEQGISXSA-N 414.293 6.018 0 1 HKAF COc1ccccc1C[C@@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587804879 CTBQGYVMPYFFDL-SZNDQCEHSA-N 406.339 5.225 0 1 HKAF COc1ccc([C@H](c2ccccc2)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 587932991 ILYMLOMRHRBKIG-IBGZPJMESA-N 400.375 5.910 0 1 HKAF CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1-c1cc(F)c(Br)cc1F 587943621 LCGUSVZXPVEGHX-UHFFFAOYSA-N 422.269 6.068 0 1 HKAF CCCCc1cn([C@@H](CN2CCCCC2)c2ccc3sc4ccccc4c3c2)nn1 653856974 CRMCNRYCLPUBHP-QHCPKHFHSA-N 418.610 6.064 0 1 HKAF ClC(Cl)(Cl)c1nc(Oc2ccccc2Br)c2ccccc2n1 653912883 NMXQLEOCWYCCOF-UHFFFAOYSA-N 418.505 6.011 0 1 HKAF CCOC(=O)[C@H](CC)[C@@]1(c2cccc(C(F)(F)F)c2)NCCc2ccc(F)c(C)c21 962304006 YVAFOXACLLBSGH-PGRDOPGGSA-N 423.450 5.132 0 1 HKAF COc1c(F)cc(CC[C@H]2c3ccsc3CCN2Cc2cccn2C)cc1F 962374992 QGOPHCVKSCGVQW-FQEVSTJZSA-N 402.510 5.106 0 1 HKAF CC(=O)[C@]1(c2cccc(C(F)(F)F)c2)c2ccsc2CCN1Cc1ccco1 962707253 IGBNZBICCUATSU-FQEVSTJZSA-N 405.441 5.251 0 1 HKAF CCC[C@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963218031 BMLFQOZICIMGSA-IFMALSPDSA-N 415.320 5.184 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1ccc(C)cn1)c1ccccc1C(F)(F)F 963241939 OWOGMHIKIPNWJA-DFBJGRDBSA-N 424.510 6.357 0 1 HKAF O=C(O)c1cc(-c2ccc(Oc3ccccc3)cc2)cc(-c2ccc3c(c2)OCO3)n1 1857755991 ICDHJNQCTCPLRT-UHFFFAOYSA-N 411.413 5.635 0 1 HKAF C[C@@H]1C(=O)CC[C@@H]2[C@@H]3C=C[C@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@]12C 2356540850 AVTCCGXNGVAPQI-PFPZWIGHSA-N 410.686 7.843 0 1 HKAF CC[C@H](C)C(=O)[C@]12C3=C(CC=C(C)C)C[C@H](CC=C(C)C)[C@]1(C)CC[C@@H]2C(C)(C)O3 2356556963 UZFXHYXGPYVMSV-RUHLJDRLSA-N 412.658 7.800 0 1 HKAF CC[C@@H](CC=C(C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356641197 HZYXFRGVBOPPNZ-JZQQPFIGSA-N 412.702 7.945 0 1 HKAF CC(C)[C@H]1CC=C2CC[C@@H]3C(C[C@H](C)COC(=O)c4ccccc4)=CCO[C@H]3[C@H]2C1 2356791697 IWMZTXVGHIRXOG-HVHSJWOASA-N 408.582 6.213 0 1 HKAF CC1=C(C(C)C)[C@]1(C)C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356807576 XWJYKMIJDLSPOV-QRVIUEAUSA-N 424.713 7.945 0 1 HKAF CCOC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)Nc1ccccc1OC 2640225 UZBLKLZSJHOPQS-UHFFFAOYSA-N 414.458 5.384 0 3 HKAF aggregator Clc1cccc(-c2ccc(-c3nc4ccccn4c3NCc3ccccc3)cc2)c1 61959598 ANERKEPRMMAFPK-UHFFFAOYSA-N 409.920 6.934 0 3 HKAF CCCN(C(=O)c1cn(CCC)c2ccccc12)c1ccc(Oc2cccnc2)cc1 199265349 BDAARJBAFOAVAI-UHFFFAOYSA-N 413.521 6.295 0 3 HKAF O=C(NCCc1ccc(F)cc1)c1c(-c2ccccc2Cl)noc1-c1ccoc1 774578 QFOZZHCPEFOYQU-UHFFFAOYSA-N 410.832 5.367 0 1 HKAF COc1cc2sc3c(Nc4cccc(Br)c4)ncnc3c2cc1OC 3815344 BQRQLVIVDZZXTA-UHFFFAOYSA-N 416.300 5.368 0 1 HKAF CCCC[C@H](O)C/C(C)=C(\C)CCC(=O)CCCCC[C@H](O)CC1CCCCC1 13415826 ZOVJIBYKNFUISD-MWWHEOSOSA-N 408.667 6.895 0 1 HKAF CC(C)=CCc1c(O)cc(O)c2c1O[C@@H](c1cc3c(cc1O)OC(C)(C)C=C3)CC2=O 15205954 WUIDVBXGRNCTFU-JOCHJYFZSA-N 422.477 5.203 0 1 HKAF biogenic c1ccc(CCCCN2[C@H]3CC[C@@H]2c2c(n(-c4ccccc4)c4ccccc24)C3)cc1 27105194 ZIKSLIAMFOSMMG-RPLLCQBOSA-N 406.573 6.715 0 1 HKAF CN(C)C(=O)c1cc(OCc2ccc(F)cc2)ccc1OCc1ccccc1Cl 28703636 HOYZGHSBMHDRES-UHFFFAOYSA-N 413.876 5.339 0 1 HKAF O=C(Nc1cccc2cnccc12)N[C@H]1CCc2ccccc2[C@H]1Cc1ccccc1 28959107 QEMYRXIETDRZCN-RSXGOPAZSA-N 407.517 5.698 0 1 HKAF C[C@H](CN1CCCC[C@@H]1C1CCCCC1)c1cccc(C(=O)c2cccc(Cl)c2)c1 29411989 RAPYNFSWBKJBOC-FQRUVTKNSA-N 424.028 7.109 0 1 HKAF Cc1cc(Nc2cc(C3CCCC3)n[nH]2)nc(NCc2cc(-c3ccccc3)no2)n1 34636216 ATFKXFSNRGGNIU-UHFFFAOYSA-N 415.501 5.176 0 1 HKAF Cc1nc2cc(-c3cccc(Cl)c3)nn2c(-c2ccc(Cl)cc2Cl)c1CN 34636270 DNKWCDIQIAAHIN-UHFFFAOYSA-N 417.727 5.791 0 1 HKAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](N(C=O)C5CCCCC5)CC[C@@H]4[C@H]3CC[C@@H]12 36189603 GWOHHTZQGRQPDS-MPVWJQJBSA-N 414.634 5.010 0 1 HKAF CCC(=O)Oc1cccc(C[C@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)c1 39233859 GNNZNPHKBLGJAL-AREMUKBSSA-N 420.597 5.236 0 1 HKAF COc1cc(C(=O)c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc(OC)c1OC 40863078 FNFDWGCEPDFHHD-UHFFFAOYSA-N 423.412 5.086 0 1 HKAF O=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1)Nc1ccc(F)cc1 43022963 CQACWQWCNUVOLT-UHFFFAOYSA-N 412.549 5.046 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4cccc(CN5CCC(CO)CC5)c4)s3)nc12 45323385 LRPZJJCLPGDZLK-UHFFFAOYSA-N 417.578 5.471 0 1 HKAF Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1 45351975 PBQUJALWEDBRLW-UHFFFAOYSA-N 423.921 6.059 0 1 HKAF CNCC[C@H](Oc1cccc2cc(OCCN3CCCC3)ccc12)c1ccccc1 64454408 YRQMTSHAIPAQIW-VWLOTQADSA-N 404.554 5.044 0 1 HKAF CC1CCN(C(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc(F)cc2)CC1 82140532 DALKZFCMSTYXTR-UHFFFAOYSA-N 410.537 5.147 0 1 HKAF CC1(C)CC(=O)c2c(nn(-c3ccc(O)cc3)c2-c2ccc(Cl)c(Cl)c2)C1 82157956 OTPCBZYHHUHVRQ-UHFFFAOYSA-N 401.293 5.707 0 1 HKAF Fc1ccccc1-c1nc(NCC2CC2)ncc1-c1ncc(-c2ccccc2)s1 82175419 OSDVMEJRAXRADY-UHFFFAOYSA-N 402.498 5.895 0 1 HKAF CC[C@H](C)Cn1c(C[C@H](C)c2ccccc2)nc2c(NCc3ccccc3)ncnc21 82178634 OVMBCURBKBDTDH-PMACEKPBSA-N 413.569 5.831 0 1 HKAF C[C@H](Nc1cccc2ccccc12)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 95602092 BVBCCFZWMVOJEU-INIZCTEOSA-N 408.461 5.482 0 1 HKAF Nc1sc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C(=O)NC1CCC1 103144912 KUAFPAMHHCEOHE-UHFFFAOYSA-N 417.361 6.253 0 1 HKAF O=S(=O)(c1ccccc1)N(Cc1ccc(F)c(F)c1)c1cc2ccccc2s1 115231596 VVSGLCYQXQKECT-UHFFFAOYSA-N 415.486 5.575 0 1 HKAF O=C(c1cccnc1)C(F)(F)CCCCOc1cccc(OCc2ccccc2)c1 115390387 MMQONLSRHZUKAV-UHFFFAOYSA-N 411.448 5.728 0 1 HKAF CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c(OC(F)(F)F)cccc32)cc1 116390328 ROWRXYULWPJJTI-MJGOQNOKSA-N 410.388 5.204 0 1 HKAF CC[C@@H](c1cccc(N[C@H](CC)c2ccc(Cl)c(C)c2)c1)N1CC(C(=O)O)C1 118391985 OSFWACRLEHRCFE-YADHBBJMSA-N 400.950 5.679 0 1 HKAF Cc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCC(C)CC3)c2c1 137667327 IGDJCZAWGYQVJN-UHFFFAOYSA-N 414.958 5.266 0 1 HKAF CC(C)=CCc1c(C)ccc([C@H]2COc3c(CC=C(C)C)c(O)cc(O)c3C2=O)c1O 238753464 OXHMSAWRYKJSJR-HXUWFJFHSA-N 422.521 5.488 0 1 HKAF CC[C@H]1C[C@@H]2NC(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]3[C@@H]12 253690320 MASOXJRADXYGSF-ZPZZBYODSA-N 415.706 7.222 0 1 HKAF CC[C@H](/C=C\[C@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 255222159 JZVFJDZBLUFKCA-ZCSIDHLESA-N 412.702 7.801 0 1 HKAF FC(F)(F)Oc1cc2[nH]c(-c3ccc(C4CCC4)cc3)nc2cc1Br 586881373 VCJIPMPNUHYMMT-UHFFFAOYSA-N 411.221 6.159 0 1 HKAF OCCCCCCCCCCCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586894447 GAKCLSLNQRQFAX-UHFFFAOYSA-N 407.427 5.658 0 1 HKAF COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(N)c1Cl 586986290 QKUNIPOSNAAHSE-UHFFFAOYSA-N 402.837 5.063 0 1 HKAF CC(C)n1c(-c2nc3nccc(Cl)c3[nH]2)cc(Br)c1Br 587004981 HOIVPKWAOZGYEE-UHFFFAOYSA-N 418.520 5.186 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 587013293 SISFHVJQYLIVNP-UHFFFAOYSA-N 424.323 5.557 0 1 HKAF Cc1cc2nc(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCC4)[nH]c2c(C)n1 587030758 KPARRLJDGOGDSX-UHFFFAOYSA-N 422.941 5.698 0 1 HKAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587122854 ZSWMBPYYEISDIL-UHFFFAOYSA-N 423.297 5.307 0 1 HKAF O=C(O)c1ccccc1C(=O)Nc1ccsc1-c1cc2c3c(cccc3n1)CC2 587216962 RTNJFCZQLQLBEE-UHFFFAOYSA-N 400.459 5.012 0 1 HKAF C[C@@]1(c2cccc(F)c2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336047 SOPAFMGWUVAAEP-UGKGYDQZSA-N 400.808 5.598 0 1 HKAF COc1ccc([C@]2(c3c(C)[nH]c4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)cc1 587395297 APEDDRZFLJVITF-SANMLTNESA-N 412.489 5.285 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(F)c(C(F)(F)F)c1F)CC2=O 587462389 QBHYIMKSHKMVPM-LJQANCHMSA-N 400.343 5.522 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc([C@H](C)CC)cc1)CC2=O 587469021 GCLNNUPYHXSJDS-PUAOIOHZSA-N 409.526 5.611 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1c(N)sc3c1CCC3)CC2=O 587497440 WGAIXENZEPUSQP-RUZDIDTESA-N 419.546 5.386 0 1 HKAF O=C1C[C@H](c2sc(Nc3ccccc3)nc2Cl)Oc2c1ccc1c2CCCC1 587536573 WSNFCZPGDWKDSR-GOSISDBHSA-N 410.926 6.125 0 1 HKAF Cc1c(-c2ccccc2Br)[nH]c2c1c(Br)cc1n[nH]cc12 587620802 HGOSMXYNJFQWSH-UHFFFAOYSA-N 405.093 5.545 0 1 HKAF CC(C)(C)c1ccc(-c2[nH]c3c(C(=O)O)cccc3c2-c2nc3ccccc3o2)cc1 587638655 HRCJPTNVGHCCLW-UHFFFAOYSA-N 410.473 6.639 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)(F)F)cc2)N1 587717867 GYOOMCQHLZBRLE-ABKXIKBNSA-N 404.201 5.110 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccccc3F)c2)N1 587725225 CKDRTHOJESTGMQ-MCMMXHMISA-N 414.293 6.018 0 1 HKAF Cc1ccc(-c2cnc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1C 587770618 ATILNFWNSLTLFM-XCLFUZPHSA-N 415.306 5.484 0 1 HKAF Cc1ccc(-c2cncc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 587774343 MQNYAWUBIUGPPW-RCDICMHDSA-N 411.318 5.582 0 1 HKAF CCOc1nc2ccccc2cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587776160 BIPJPVJJBKNEQH-MPBGBICISA-N 415.306 5.159 0 1 HKAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc12 587806282 HFUKXKFUASIVET-XUSGNXJCSA-N 400.291 5.374 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(c2ccccc2)c2ccccc2)N1 587819435 MLICJIOXEOGHIB-IQMFZBJNSA-N 410.330 5.996 0 1 HKAF COc1ccc(C[C@H](C)c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1OC 587927367 SYGFCPWFXYZYKP-INIZCTEOSA-N 404.535 6.078 0 1 HKAF COc1ccc(CCCc2nc3cc(Br)cc(Cl)c3[nH]2)c(OC)c1 587929568 XCPYQHCUDSWNJH-UHFFFAOYSA-N 409.711 5.171 0 1 HKAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c2)c1 587933284 XRKHMRRAUVMZLT-UHFFFAOYSA-N 422.488 5.443 0 1 HKAF COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 618016712 IHUUKTIMCAHMQE-DEOSSOPVSA-N 416.521 5.898 0 1 HKAF CC[N+](CC)=c1sc2c(s1)[C@H](c1ccc(F)cc1)Oc1ccc(Cl)cc1-2 653873470 OYOXOZPHWHZNJS-KRWDZBQOSA-N 406.955 5.563 0 1 HKAF Cc1cc2c(cc1F)[C@@]1(NCC2)C(=O)c2c(C)coc2-c2ccc3c(C)cccc3c21 962141308 BXJFRMHLGRYFQR-MHZLTWQESA-N 411.476 5.750 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@]1(CCCC(=O)O)C1CCCCC1 962372934 KKSIQVLTNKARBM-QHCPKHFHSA-N 400.588 5.175 0 1 HKAF CCOC(=O)CCC[C@@]1(c2ccccc2F)NCCc2cccc(-c3ccccc3)c21 962671473 SMKZNLPONYEULI-MHZLTWQESA-N 417.524 5.615 0 1 HKAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@]21CC=C(c2ccc(Cl)cc2)CC1 962716774 VZKZOTSHLKUBCU-HYBUGGRVSA-N 413.989 6.306 0 1 HKAF Cc1cccc([C@@]2(CCc3ccccc3)NCCc3ccc(C(=O)N(C)C)cc32)c1C 962928067 GJSBJSSGWCLRGL-MUUNZHRXSA-N 412.577 5.027 0 1 HKAF C[C@@H]1C[C@]2(NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c2ccccc2S1 962963728 YWCIAXQTFAAKLS-IVZQSRNASA-N 419.512 5.485 0 1 HKAF Cc1ccnc2c1CCN[C@H]2c1cn(Cc2ccc(F)cc2Cl)c2ccccc12 963072827 OKHXIZWAYFTVLW-DEOSSOPVSA-N 405.904 5.421 0 1 HKAF Clc1cc(Cl)cc([C@H](Cn2ccnc2)OCc2nc3ccccc3s2)c1 1772586049 LWPSCLQFSCJLMJ-KRWDZBQOSA-N 404.322 5.758 0 1 HKAF COCc1ccccc1CNC(=O)c1sc(Br)c2c1CCC(C)(C)C2 1857762398 PYKGDXMPNNOJAK-UHFFFAOYSA-N 422.388 5.102 0 1 HKAF CC1=C[C@H](CNC(=O)C(C)(C)C)[C@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1ccccc1 2356308745 VAUKYLRTSOUELR-ZRBLBEILSA-N 412.618 5.052 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)CC[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 2356414858 SXMHCACYHNPYIF-BAIBJHRJSA-N 402.663 6.360 0 1 HKAF CCCCC[C@@H]1C[C@@H]2[C@H](NC)CC[C@]34[C@H](O)C[C@@]5(C)CCC[C@@](O)(C5)[C@@H]3C[C@@]24C1 2356425839 TZHRSSAYNMUCJN-GMLJKFJDSA-N 403.651 5.043 0 1 HKAF CC(C)=CCC[C@@H](C)C=Cc1c(O)cc2c(c1O)C(=O)C[C@H](c1ccc(O)cc1)O2 2356442548 GVSKSNRAUGVYDK-OPAMFIHVSA-N 408.494 5.906 0 1 HKAF CC(C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4[C@H](CC[C@@H]5C(C)(C)C(=O)CC[C@]45C)[C@]3(C)CC[C@@]12C 2356488573 SGRIUEWFBPMBQH-DRVGMRFQSA-N 410.686 7.843 0 1 HKAF O=C(NCc1ccccc1)[C@]1(C(F)(F)F)C[C@H](CCc2ccccc2)CCCO1 13829038 WLSSQLQAKCQIEQ-UGKGYDQZSA-N 405.460 5.053 0 3 HKAF O=C(NCc1ccccc1)[C@@H](c1ccccc1)n1c(-c2ccccn2)nc2ccccc21 95571524 JNRQDMFSRXJGDK-RUZDIDTESA-N 418.500 5.004 0 3 HKAF C/C=C/[C@H](O)P1(=O)N(Cc2ccccc2)[C@@H]2CCCC[C@H]2N1Cc1ccccc1 5833506 SLBARQYLDGYTRZ-ATPRDDIESA-N 410.498 5.403 0 1 HKAF CN(CCCN(C)CCc1ccccc1)CCOC(c1ccccc1)c1ccccc1 13800376 FFZXXMKWEGRDRF-UHFFFAOYSA-N 416.609 5.289 0 1 HKAF C=C1C(=O)O[C@@H](CCCCCCCCCCCCCCCOC(C)=O)[C@@H]1C(=O)O 14611736 LQMFUZJZXHFRKV-LEWJYISDSA-N 410.551 5.193 0 1 HKAF biogenic Clc1ccc2c(NCCCCNc3ccnc4cc(Cl)ccc34)ccnc2c1 26257370 VBZMFZHHLOVTDC-UHFFFAOYSA-N 411.336 6.394 0 1 HKAF Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1ccc(C(F)(F)F)cc1 26377086 XXOFRMWIYUSFJT-UHFFFAOYSA-N 414.214 5.759 0 1 HKAF COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@H]23)cc1OCC1CC1 26572215 BQXOJMGGMXNMBL-VXKWHMMOSA-N 422.569 5.336 0 1 HKAF O=C(c1cn(CCCc2ccccc2)c2ccccc2c1=O)c1cccc2ccccc12 28864821 YWPSQBUJKROFLV-UHFFFAOYSA-N 417.508 6.019 0 1 HKAF O=c1cc(OCCCn2c3ccccc3c3ccccc32)ccn1Cc1ccccc1 29048007 JVMMVAMVYZNGOE-UHFFFAOYSA-N 408.501 5.474 0 1 HKAF CC(C)Cc1ccc(-c2nc(-c3ccc([C@@H]4CC[C@@H](CCC(=O)O)N4)cc3)no2)cc1 36178470 QEBXXPLHWMZIKW-VXKWHMMOSA-N 419.525 5.260 0 1 HKAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(Oc3ccccc3)c(Oc3ccccc3)c21 40934175 KJIWOEUDNCLMEY-UHFFFAOYSA-N 419.408 5.443 0 1 HKAF CN(C)CC[C@H]1CCCc2ccc(NC(=O)Nc3cccc(Cl)c3Cl)cc21 45189016 CRCKAMVUPBZHNY-OAHLLOKOSA-N 406.357 6.009 0 1 HKAF CCOc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)c1 45373536 QUYTXYFMIWWIKY-UHFFFAOYSA-N 424.452 6.144 0 1 HKAF CCc1cc(C(F)(F)F)nn1C[C@H](OC(=O)Nc1ccc(F)cc1F)C(C)C 45484377 PEJZEIFRVDTZRN-HNNXBMFYSA-N 405.367 5.016 0 1 HKAF C[C@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1Cl 49037669 CFLJFAYDIFZILI-PGRDOPGGSA-N 411.973 5.543 0 1 HKAF CCN(CC)C(=S)S[C@@H](CC(=O)c1ccc(OC)cc1)c1ccc(Cl)cc1 49803304 DDPAEJVJXFXMJB-FQEVSTJZSA-N 422.015 6.023 0 1 HKAF Oc1ccc(CNCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1 71294581 RVKMKRMWBALNOI-UHFFFAOYSA-N 403.570 5.581 0 1 HKAF Fc1ccc(-c2nc(NCC3CC3)ncc2-c2ncc(-c3ccccc3)s2)cc1 82164332 UMYMHGYADCJSCZ-UHFFFAOYSA-N 402.498 5.895 0 1 HKAF O=C(O)C1=CC[C@@H]2C[C@H]3[C@H](CC[C@H](O)/C=C/C=C/c4ccccc4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 84688545 ROFUKMLUAVIQAH-HLRUDCLTSA-N 402.534 5.112 0 1 HKAF CC(C)N1CCC(c2ccc3c(c2)C(C)(C)c2[nH]c4cc(C#N)ccc4c2C3=O)CC1 114800359 LDPMDKZJARLSKX-UHFFFAOYSA-N 411.549 5.498 0 1 HKAF Cc1cc(Nc2nc3ccccc3s2)nc(SCc2nc3ccccc3s2)n1 169308887 MSDIPEGHRQMVCQ-UHFFFAOYSA-N 421.576 6.040 0 1 HKAF CSc1ccccc1[C@@H]1Nc2cc(C)ccc2N=C2CC3(CCCC3)CC(=O)[C@H]21 169722055 SAJQIPOBQLKYTB-ZEQRLZLVSA-N 404.579 6.496 0 1 HKAF CO[C@@H]1O[C@@H](OC)[C@H]2/C1=C\C/C=C(\C)C[C@H](OC(C)=O)[C@@H]2[C@@H](C)CCC=C(C)C 197816510 VWHQXHJRUSIYEY-VZJBLZGMSA-N 406.563 5.175 0 1 HKAF NC1(c2ccc(-c3nc4c(-c5ccn[nH]5)cccn4c3-c3ccccc3)cc2)CCC1 199446119 DPQDHVZPZYLUNI-UHFFFAOYSA-N 405.505 5.396 0 1 HKAF N#Cc1cccc(Cc2cccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)c2)c1 216052180 PXQFFYZFKBCROQ-UHFFFAOYSA-N 413.908 5.256 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 255214304 GYDIPQRLDOTECG-RKNSYTIFSA-N 410.730 9.076 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587035521 XPOJDNIOKKXISI-GFCCVEGCSA-N 419.337 5.751 0 1 HKAF O=C(Cc1ccc(Cl)cc1)c1nc2c(C(F)(F)F)c(Br)ccc2[nH]1 587072867 YNRLDVOKXHKZNN-UHFFFAOYSA-N 417.612 5.423 0 1 HKAF COc1ccc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c1 587086772 LQVCQTOEOLJJGV-NTMALXAHSA-N 413.308 5.602 0 1 HKAF Fc1cc(F)c(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1Br 587137787 LIUQCABATUXGTO-UHFFFAOYSA-N 422.454 5.687 0 1 HKAF Cc1cc(-c2nc3nc(C(C)(C)C)ccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144603 LWLFTJPHWSTWRU-UHFFFAOYSA-N 403.457 5.735 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(CCC(=O)c4ccc(F)cc4)[nH]c3c2)cc1 587161748 CBIZYCWQULWKCV-UHFFFAOYSA-N 418.424 5.096 0 1 HKAF Fc1ccc(-c2cn3c(Cc4nc5c(F)c(F)c(F)c(F)c5[nH]4)csc3n2)cc1 587166428 RWYNOGFVMHGGPO-UHFFFAOYSA-N 420.366 5.225 0 1 HKAF CCCC[C@]1(c2ncccc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342057 YLFUQNMVMXQXPG-DHLKQENFSA-N 405.469 5.679 0 1 HKAF COc1cccc(-c2c(C)c(C3CCC(OC)CC3)nc3c2oc2ccccc23)c1 587364526 COANFIMHJGFXFO-UHFFFAOYSA-N 401.506 6.638 0 1 HKAF CCOc1c(Cl)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br 587375063 BWEAIBSHFBKUSV-INIZCTEOSA-N 410.695 5.098 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3c(F)c(F)cc(F)c3F)o1)O2 587382096 OBHQLTPVUNKCNE-QGZVFWFLSA-N 421.346 5.012 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cccc(C)c1C 587399913 MZMCIRNUNNSSBU-VWLOTQADSA-N 417.505 5.488 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](OCC)c1ccccc1)CC2=O 587478598 KBLNVEFJODDBBL-SVBPBHIXSA-N 416.517 5.983 0 1 HKAF Cc1ccc(-c2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c(Cl)c1 587510196 XIRHAODFTPKYLN-MHZLTWQESA-N 416.948 7.075 0 1 HKAF Cc1nc2ccc(NC(=O)C[C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2s1 587536095 QZDHYTHCCYXNBE-XMMPIXPASA-N 420.534 5.236 0 1 HKAF Cc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540125 KSYLVLZEJSYSFX-NQIIRXRSSA-N 411.251 5.166 0 1 HKAF CCCCCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587597562 QXVVVLOSIJHRCK-BVAGGSTKSA-N 418.489 6.054 0 1 HKAF Cn1c(CO)cnc1Sc1c(-c2ccc(F)cc2)[nH]c2ccc(F)c(Cl)c12 587630877 RUGMFZIJSPJCFK-UHFFFAOYSA-N 405.857 5.144 0 1 HKAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12 587807977 MJYPXMPXOKBLNE-QKVFXAPYSA-N 400.291 5.374 0 1 HKAF COc1ccc2c(c1)CCCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587810566 SZSWJIRFPBBKGT-LRTDBIEQSA-N 404.323 5.101 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sccc2Br)N1 587845454 RDVCVSRKKIOHOU-CPFSXVBKSA-N 405.130 5.036 0 1 HKAF Oc1csc(Cc2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)n1 587923550 WERPEYVQEILLCZ-UHFFFAOYSA-N 407.495 5.850 0 1 HKAF CCCCc1ccc(-c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cc1 587923803 PMIAYHAWJQZKIB-UHFFFAOYSA-N 400.569 5.216 0 1 HKAF COc1cc(-c2ccccc2)ccc1[C@@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962722131 YZWPIXGTZWKYSZ-FNZWTVRRSA-N 419.565 5.954 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CNC2CCCCC2)(c2ccc(F)cc2)N1 962957828 ZKGMDSVVCZLVKR-FNZWTVRRSA-N 405.561 5.397 0 1 HKAF Cc1cc(F)cc([C@@]2(c3ccc(Cl)cc3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963022633 KEQAGFBORSNREU-IVCQMTBJSA-N 420.915 5.133 0 1 HKAF CCc1ccc([C@]2(c3ccc(Cl)cc3)NCCc3c(OC)ccc(Cl)c32)cc1 963269888 LZZYOANRGJHBHK-XMMPIXPASA-N 412.360 6.002 0 1 HKAF FC(F)(F)c1nc(-c2ccccc2)nc2c1C1(CCCCCC1)Oc1ccccc1-2 1772580497 LQTLSSYYTVUYLF-UHFFFAOYSA-N 410.439 6.771 0 1 HKAF Nc1c2c(cc3c1[C@H](c1ccc(F)cc1)c1c(n[nH]c1-c1ccccc1)O3)CCCC2 1772590102 OETCXUOEVYMOGV-NRFANRHFSA-N 411.480 5.963 0 1 HKAF C[C@@H](CO)CCC(=O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356469772 ANPHLQXCHVRCDX-OBPAGIMHSA-N 416.646 5.540 0 1 HKAF CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 5759192 ULLWYOKOOHAYDJ-SDLILUQASA-N 418.662 5.330 0 1 HKAF in-vitro CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1ccsc1 13517607 STMAJTBRXLMOCE-DOFZRALJSA-N 413.671 7.553 0 1 HKAF FC(F)(F)c1ccccc1O[C@H](CCN1CCc2ccccc2C1)c1ccccc1 13530619 DWWWVXHEZBGWOH-HSZRJFAPSA-N 411.467 6.274 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C 13546907 XZEUYTKSAYNYPK-WXPWFURYSA-N 412.702 7.779 0 1 HKAF CN1CCC(c2ccc([C@H]3c4ccc(O)cc4CCN3c3cccc(O)c3)cc2)CC1 13607733 WVGGRDFFTPHRGU-MHZLTWQESA-N 414.549 5.059 0 1 HKAF CC(=O)N1c2ccccc2S[C@H]1c1ccc(OCCCN(C)C2CCCCC2)cc1 28003692 SFTSVLOVPMWBPN-VWLOTQADSA-N 424.610 5.877 0 1 HKAF CO[C@@H]1OCC2=CC[C@H]3[C@@](C)([C@H]21)[C@H](O)C[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@]13C 40576481 BIJAKZXAJWXIHK-XAEYQSRESA-N 402.619 5.571 0 1 HKAF Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)NCc3ccc(F)cc3)c12 45320094 MVMBCYNMVFFMSI-UHFFFAOYSA-N 408.864 5.337 0 1 HKAF CCN(CC)Cc1ccc(OCCCCCCCCCCN2CCN(C)CC2)cc1 49050145 LGAHRJBXSBZWLC-UHFFFAOYSA-N 417.682 5.275 0 1 HKAF C[n+]1cccc(N(CCCCCC2CCCCC2)c2cccc(C(F)(F)F)c2)c1 66156668 XVUGXMOKULWBTN-UHFFFAOYSA-N 405.528 6.809 0 1 HKAF FC(F)(F)c1cc(Oc2cncc(NCc3ccccc3)n2)cc(C(F)(F)F)c1 82068701 UCTDZPPFUVZTGA-UHFFFAOYSA-N 413.321 5.919 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3 95635664 KLZWTHGLLDRKHD-PMIIOQGLSA-N 412.702 8.089 0 1 HKAF O=C1Nc2ccccc2[C@@H]1[C@H](C(=O)c1ccccc1)c1c[nH]c2ccc(Cl)cc12 102908657 WIHJWZSQXPIACN-FGZHOGPDSA-N 400.865 5.524 0 1 HKAF Clc1ccc(-c2nc(SCCN(C3CCCCC3)C3CCCCC3)n[nH]2)cc1 103218578 VBIBWGQMVIYFKR-UHFFFAOYSA-N 419.038 6.185 0 1 HKAF CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2Cl)C2=C(O)CC(C)(C)CC2=N1 103522795 BRSUKCWRWPLTHS-NRFANRHFSA-N 413.945 6.270 0 1 HKAF CCN(CC)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3cc4c(cc32)OCO4)cc1 103657070 MXYSQBICHCPPJY-DEOSSOPVSA-N 418.537 6.112 0 1 HKAF CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CCC(=O)O)C(=O)O 105450325 UUFVSGRELDGPGL-GDCKJWNLSA-N 411.583 5.458 0 1 HKAF FC(F)(F)c1ccnc(Nc2ccc(Oc3ncccc3-c3ccncn3)cc2)c1 139330933 FAPSQNXQJXQPMT-UHFFFAOYSA-N 409.371 5.488 0 1 HKAF CC(C)[C@@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)[C@H]1C 169621692 YQSCMUYRADBXNP-OZXSPJJYSA-N 414.718 7.571 0 1 HKAF C[C@H]1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)C1 169706651 ZYWWOSQDTRVQQC-INIZCTEOSA-N 413.529 5.079 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc3ccn(C)c3c2)n1 205824672 MBEJJOXAALUMEZ-KRWDZBQOSA-N 422.536 5.517 0 1 HKAF CC1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@]5(C)CC[C@]43C)[C@H]2[C@@H]1C 238783940 DZINXMCMPUDAJI-LOXUUFPASA-N 424.757 9.444 0 1 HKAF CC(C)CCC[C@H](CO)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255253985 OJUSVVMRDIXPCC-QBUDHTHLSA-N 402.663 6.361 0 1 HKAF Oc1ccc(-c2ccccc2-c2nc3cccc(I)c3[nH]2)cc1 586898368 IPZQDURFWZFPCP-UHFFFAOYSA-N 412.230 5.207 0 1 HKAF O=[S@](Cc1nc2cc(C(F)(F)F)ncc2[nH]1)C(c1ccccc1)c1ccccc1 586959653 LDDDLIAWGCMFAW-GDLZYMKVSA-N 415.440 5.015 0 1 HKAF COc1cc(/C=C\c2nc3cc(C)cc(Br)c3[nH]2)ccc1Br 586975561 DZHLOECRUQWEHR-XQRVVYSFSA-N 422.120 5.575 0 1 HKAF CO[C@H]1C[C@H](c2ccccc2)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990792 FGKYOUJLZTVTIE-ZHRRBRCNSA-N 407.469 5.569 0 1 HKAF Cc1cccc(NC(=O)Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1C 586996430 NOJSNKFJBQZIEE-UHFFFAOYSA-N 406.485 5.553 0 1 HKAF Clc1ccc(-c2nc(-c3ccccc3)c(Cc3nc4ccccc4[nH]3)s2)cc1 587012992 GCQSHGWUZDMXLH-UHFFFAOYSA-N 401.922 6.598 0 1 HKAF Clc1cc(Cl)cc(-c2nc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)cs2)c1 587015625 STNWLOWVSPAVSZ-UHFFFAOYSA-N 416.120 6.362 0 1 HKAF FC(F)(F)c1cc(Br)cc2nc(CCc3ccccc3Cl)[nH]c12 587057650 CLWARUTYPWVRRR-UHFFFAOYSA-N 403.629 5.783 0 1 HKAF Clc1ccccc1OCc1ccc(-c2nc3c(Br)nccc3[nH]2)cc1 587063353 KZRYYEWYNJKOCR-UHFFFAOYSA-N 414.690 5.620 0 1 HKAF Nc1ccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(C(F)(F)F)c1 587095180 BBGGDILQSCAQAG-UHFFFAOYSA-N 424.142 5.612 0 1 HKAF COc1cccc([C@H]2CCCc3c2nc2c(C)ccc4c2c3-c2ccccc2C4=O)c1 587096828 HTKVTIIXROIQFG-LJQANCHMSA-N 405.497 6.231 0 1 HKAF Cc1cc(Cl)cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 587116374 FGYYBNQQEULYBV-UHFFFAOYSA-N 403.235 5.514 0 1 HKAF Oc1c(Br)ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 587125847 UKVNWLDHICQHOD-FPYGCLRLSA-N 415.234 5.813 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc4c(c3[nH]2)CCCC4)c(F)c1 587145424 WFQIAKBJOWFGIC-UHFFFAOYSA-N 400.453 5.921 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(C)cc5F)[nH]c4c3)o2)cc1 587146842 YERVAQALQFMWHT-UHFFFAOYSA-N 400.413 5.403 0 1 HKAF O=C(c1ccc(Oc2ccccc2)cc1)c1c(CO)oc2cc(Br)cnc12 587276692 RRTJBMFFTYVQPW-UHFFFAOYSA-N 424.250 5.106 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)CC[C@]31Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343808 DPGXYYVBUSHIIF-JYFHCDHNSA-N 413.448 5.522 0 1 HKAF Cc1ccc2c(c1C)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355526 DRKWTKUFODYKKS-ILBGXUMGSA-N 404.437 5.185 0 1 HKAF COc1cccc(-c2cc(-c3ccc(NC(C)=O)cc3)nc3c2oc2ccccc23)c1 587363527 STBVAHBWGVPOEJ-UHFFFAOYSA-N 408.457 6.282 0 1 HKAF COc1cccc(-c2cc([C@@H]3C[C@H](C(=O)O)C3(C)C)nc3c2oc2ccccc23)c1 587365674 IYJIKXCRSPBXIE-RBUKOAKNSA-N 401.462 5.871 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](c2ccccc2)CC3)c1 587366366 LPCJTPGATMCWTJ-IBGZPJMESA-N 405.497 6.929 0 1 HKAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1OCc1ccccc1 587375236 KOROMMPNRJWKOM-NRFANRHFSA-N 423.896 5.525 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCC)(c1ccc(Br)cc1)CC2=O 587457488 IOFBIJATKAURPT-OAQYLSRUSA-N 403.316 5.768 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCc3cccc(Cl)c3)c1)CC2=O 587458584 AIUBOPVNBKFYDM-XMMPIXPASA-N 422.908 6.284 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCc3cc(F)c(Br)cc31)CC2=O 587470097 DEFAITXXCSZIJG-HXUWFJFHSA-N 405.263 5.053 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Oc3ccc(F)cc3)cc1)CC2=O 587471938 MUZAKJXWJULLNM-RUZDIDTESA-N 406.453 6.157 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(C(C)C)cc1)(c1cccnc1)CC2=O 587492930 YVFBAFTYKVWTGL-AREMUKBSSA-N 401.506 5.772 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(C)cc2Oc2cc(O)cc(O)c21 587493173 SQXWZCSTUDACKF-RUZDIDTESA-N 418.445 5.079 0 1 HKAF CCCCN(CCCC)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 587509062 XGQASZUHIYPKDI-AREMUKBSSA-N 421.581 6.384 0 1 HKAF COc1ccc2c(c1)CC[C@@H](c1ccccc1)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587521079 AJBPSFNZOUWQIP-ABYGYWHVSA-N 424.540 6.165 0 1 HKAF COc1cccc2c1[C@]1(C=C(c3ccccc3)O2)CC(=O)c2ccc3c(c2O1)CCCC3 587529481 AYVBBYWGYFODOZ-MUUNZHRXSA-N 424.496 5.868 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587531109 JQXNLWARXCQNNP-XMMPIXPASA-N 423.965 6.531 0 1 HKAF CC[C@@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543948 DAPGXJVGKSTPJP-KNQAVFIVSA-N 414.379 5.678 0 1 HKAF Cc1ccc(Cl)c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nc12 587551866 KRCWICPACNZVSR-HYBUGGRVSA-N 417.848 5.605 0 1 HKAF CCCc1ccc([C@]2(C(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587599531 GMSMYGBFRHFFHH-BVAGGSTKSA-N 402.490 5.858 0 1 HKAF CC(C)(C)Sc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606542 HZLGJHPPUMPJQN-OFVILXPXSA-N 420.530 6.160 0 1 HKAF O=C(c1c(-c2cccs2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F 587621795 JGTHGBSOTGUYGL-UHFFFAOYSA-N 414.206 5.280 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3ccnc3)c(Cl)c2)N1 587694356 LJNUJWRJNCUVJI-NSPYISDASA-N 420.713 5.051 0 1 HKAF COc1c(Cl)cc(Cl)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587695270 QTAXNNQHAKLFAH-PWJLMRLQSA-N 419.121 5.527 0 1 HKAF Cc1ccc(F)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1Cl 587715295 BZEWYEASLCZVDS-MGNBDDOMSA-N 400.694 5.487 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(C(F)(F)F)ccc32)N1 587717285 WUJJNUINIBYUML-YPMLDQLKSA-N 414.240 5.331 0 1 HKAF Cc1c(F)cccc1-c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587723101 VFTBKCMGIXIPCB-MQJDWESPSA-N 418.281 5.919 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(F)cc2F)N1 587725337 PRHIHYGJONAYAX-GIPWTMENSA-N 421.260 5.281 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ccc(F)cc3)n2)N1 587736886 VAPOTJJABLDAMC-MGNBDDOMSA-N 421.310 5.474 0 1 HKAF CC(C)[C@@]1(CC(=O)Nc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587741165 GDVKKISGUTXIRH-SPLOXXLWSA-N 419.338 5.003 0 1 HKAF CC(C)[C@@]1(CC(=O)Nc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587745100 UQBFLQWHBXVFEH-SPLOXXLWSA-N 419.338 5.003 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C[C@@H](C)c2cn(C)c3ccccc23)N1 587760664 ZSNNPVBZFUMEKF-ZMOMAAQPSA-N 415.350 5.849 0 1 HKAF COc1ccc2cc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 587807115 JUZJFHLCKDOTOY-WHEQGISXSA-N 414.318 5.548 0 1 HKAF CC(C)C/C=C(/c1ccccc1)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587821888 YLINRLILGLKXPU-KYZCPBSPSA-N 402.351 6.293 0 1 HKAF COc1ccc(-c2ccc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c(O)c2)cc1OC 587928050 XFNUDXYJBCWZBT-UHFFFAOYSA-N 416.264 5.322 0 1 HKAF CCc1ccc([C@@]2(c3ccc(C)nc3)c3cc(OC)ccc3CCN2C(C)C)cc1 962094881 UANRRWMLDXCINF-HHHXNRCGSA-N 400.566 5.519 0 1 HKAF COc1cc2c(cc1OC)[C@@](CCc1ccc(C)cc1C)(C1CCCC1)N(C)[C@H](C)C2 962578104 ZYPTWJCHGAPFAL-LYZGTLIUSA-N 421.625 6.215 0 1 HKAF Fc1cccc2c1[C@@H](c1ccc(-c3ccc(Cl)c(Cl)c3)cc1)N1CCC[C@@H]1C2 963112379 SJMLCDUPWBWAIT-NTKDMRAZSA-N 412.335 6.909 0 1 HKAF CC1=C2CCN(Cc3ccccc3)C[C@@H]2CC[C@]12c1ccc(F)cc1C[C@@H]1CCCN12 963118572 ZRMYRIUFHIXZNZ-NAYZPBBASA-N 416.584 5.674 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1cccc(Cl)c1Cl)C1CCCC1 963257430 KDNPGSIDUMASRW-BXKMTCNYSA-N 402.409 7.084 0 1 HKAF CO[C@H]1C[C@@H]2C[C@H](OC)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@H]12 1772646463 AHSWFTAQZWRBDP-LBSADWJPSA-N 420.634 5.786 0 1 HKAF COc1ccc2c3ccnc(C)c3n(Cc3cn(C/C(C)=C/c4ccccc4)nn3)c2c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c3ccccc3C[C@@H]2CC[C@]2(C)Oc3ccccc3C[C@H]2C1 2356422186 ISSPUSZYYOWQJE-HWJGEBQJSA-N 416.605 7.163 0 1 HKAF CC(C)=C[C@@H](O)CC(C)=CCc1c(O)cc(O)c2c1O[C@@H](c1ccccc1)CC2=O 2356557453 OZGKAPGLVKJUDB-WZONZLPQSA-N 408.494 5.010 0 1 HKAF CC(C)[C@@H](C)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@@]21C 2356578724 COMISLYNEQPREW-IIOWWPNLSA-N 414.674 6.383 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](C)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356630985 MHYKVQQPBSKDET-GUCXSOLJSA-N 418.706 6.830 0 1 HKAF CC(=Cc1csc(C)n1)[C@H](O)CC=CCCC[C@H](C)[C@@H](O)[C@@H](C)C(=O)C(C)C 2356639746 BUXAQZMQSTYYQK-JOXJFCDYSA-N 407.620 5.191 0 1 HKAF CC=C[C@H](O)[C@H](C)C=C(C)C=CCC(C)=CCc1nc(OC)c(OC)c(O)c1C 2356807167 WFEFGXNOSOLREF-NQIIRXRSSA-N 401.547 5.067 0 1 HKAF Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2ccc(F)cc2)n1 8672340 MEARYNKFCPCZQJ-UHFFFAOYSA-N 410.499 5.710 0 3 HKAF CN(C)C(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 4211344 VGMQWXSUPWZNOP-GMAHTHKFSA-N 404.897 5.187 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 5761342 QZTNWQQTEVRSMC-COONVOOFSA-N 416.690 6.606 0 1 HKAF COc1ccc(Nc2c3c(nc4ccc(NC(=O)C5CC5)cc24)CCCC3)cc1OC 6737844 RWXLGCWZUWIWFS-UHFFFAOYSA-N 417.509 5.223 0 1 HKAF CC(C)=CCc1c2c(cc3c1O[C@@H](c1ccc(O)cc1O)CC3=O)C=CC(C)(C)O2 13339840 LXNLNOQFXKTBRA-JOCHJYFZSA-N 406.478 5.497 0 1 HKAF biogenic COc1cc(OC)c2c(C)[n+](-c3ccc(OC)c4c(OC)cc(C)cc34)c(C)cc2c1 13359029 DODBJQAXPJPFKT-UHFFFAOYSA-N 418.513 5.229 0 1 HKAF CCCOC(=O)c1c(-c2cccc(F)c2)nc(CC)c(C(=O)SCC)c1CCC 13672398 SMIZERAQDJNWGY-UHFFFAOYSA-N 417.546 5.863 0 1 HKAF O=C1O[C@](CCc2ccccc2)(c2ccccc2)CC(O)=C1SCc1ccccc1 13766438 KNTKFDXNGJKCGE-SANMLTNESA-N 416.542 6.165 0 1 HKAF Cc1c(C(C)(C)C)nc2c(-c3ccccc3)c(-c3ccc(O)cc3)nn2c1C(C)(C)C 28464699 CXJXKXREPDMJIG-UHFFFAOYSA-N 413.565 6.672 0 1 HKAF Cc1ccccc1-n1c2c(c(C)c1-c1ccc(F)cc1)C(=O)N(C1CCCCC1)CC2 28706553 HEWPMLBYVDOBEP-UHFFFAOYSA-N 416.540 6.231 0 1 HKAF C[C@@H](c1nc(-c2ccc(Cl)cc2Cl)no1)[C@H](N)Cc1cc(F)c(F)cc1F 42889150 DWQWDMKZORYMTF-VPTHRUTESA-N 416.230 5.134 0 1 HKAF CCCCN(Cc1ccccc1Cl)c1ccc(C(=O)NCc2cccnc2)cc1 72107932 YMTXQQPBGFZALO-UHFFFAOYSA-N 407.945 5.472 0 1 HKAF CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(OC(=O)NCc2ccccc2)c1-3 72176149 KLYJLIQACDTALL-QHCPKHFHSA-N 412.533 5.508 0 1 HKAF O=C(N[C@H](c1ccncc1)c1ccc(Cl)c(Cl)c1)c1ccc2cnccc2c1 72180242 VUAXNOZBYICQPO-OAQYLSRUSA-N 408.288 5.456 0 1 HKAF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NCc3ccccc3)nc2-c2ccccc2F)C1 82152798 HXZJUZGLMMDHKQ-ROUUACIJSA-N 418.516 5.013 0 1 HKAF CN1CCC[C@@H]1CCn1c(-c2ccccc2)nc2c(NC3CCCCCC3)ncnc21 82189072 VSGQSWAUECKCDM-OAQYLSRUSA-N 418.589 5.112 0 1 HKAF NC(=O)c1ccc2c(c1)nc(Nc1ccc(F)cc1)n2Cc1cccc2ccccc12 82191411 UNHFZNBVPOPUPL-UHFFFAOYSA-N 410.452 5.219 0 1 HKAF O=c1c(-c2ccc(F)cc2)c(-c2ccnc(NC3CCOCC3)c2)oc2ccccc12 84727934 STJGTIXQJGXCFL-UHFFFAOYSA-N 416.452 5.252 0 1 HKAF COc1cc(-c2nc(N(C)C)sc2-c2ccc3ccccc3c2)cc(OC)c1OC 95561095 LTCMKLRCZPZNOV-UHFFFAOYSA-N 420.534 5.722 0 1 HKAF CC(C)c1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)C2CC2)n1 95592471 KWHZAURFDIUNMU-UHFFFAOYSA-N 417.538 5.231 0 1 HKAF COc1cc(Cl)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12 113657918 LCABWUQLPSYHLY-UHFFFAOYSA-N 403.913 5.668 0 1 HKAF CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCc3ccc(CC(C)C)cc3)ccc21 114902122 HEYIKRCISTXVQW-UHFFFAOYSA-N 419.565 5.200 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1ccnn1-c1ccccc1 118922541 MEYBRQJIPYRMAI-YPZLOKHQSA-N 414.593 6.189 0 1 HKAF CCCCCCCCS(=O)(=O)Nc1cc(-c2ccc(OC)cc2)ccc1C(=O)O 143729047 OBEBETCDOSUSQO-UHFFFAOYSA-N 419.543 5.163 0 1 HKAF COc1ccc(C)c(N(Cc2ccccn2)C(=O)c2sc3ccccc3c2Cl)c1 144725128 NMGKRCCPYNATBY-UHFFFAOYSA-N 422.937 6.114 0 1 HKAF Cc1cccc(C)c1Cc1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1 220307666 YLGQQJPYTJUONR-UHFFFAOYSA-N 416.952 6.001 0 1 HKAF COc1cc2c(c(-c3c(C)cc(OC)c4c(OC)cccc34)c1O)C[C@H](C)N[C@H]2C 238736648 UFIFXCNIBQABEQ-GJZGRUSLSA-N 407.510 5.142 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C 255262443 RIVQQZVHIVNQFH-WGXUBCFDSA-N 420.678 5.410 0 1 HKAF Clc1cccc([C@H](c2ccc(OCCN3CCOCC3)cc2)c2cccs2)c1 299859055 HJNJXAFDVAWDKQ-QHCPKHFHSA-N 413.970 5.293 0 1 HKAF O=C(O)/C=C/c1ccccc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586878488 FHQKPODERMNSTE-AATRIKPKSA-N 411.177 5.109 0 1 HKAF Cc1cc(Br)c2[nH]c(CCNc3ccc(Br)cc3)nc2c1 586996294 UOQZLODKLDJTOC-UHFFFAOYSA-N 409.125 5.051 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Br)c4cc(C)oc34)nc2c1 587004474 UPGOIHPJIVIZBL-UHFFFAOYSA-N 419.662 5.487 0 1 HKAF Clc1cnc(Br)c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)n1 587005776 RTTXVUWUVMAFBS-UHFFFAOYSA-N 415.678 5.015 0 1 HKAF FC(F)(F)c1c(Br)ccc2nc(CNc3ccccc3Cl)[nH]c12 587061120 ASFKNEYLVVSDQC-UHFFFAOYSA-N 404.617 5.610 0 1 HKAF Cc1ccc2c3c(cc(/C=C4\Nc5ccccc5C(=O)O4)nc13)-c1ccccc1C2=O 587097054 NZHQIBFEPGKNRX-LPYMAVHISA-N 404.425 5.336 0 1 HKAF FC(F)(F)c1nn(CCc2nc3ccc4ncccc4c3[nH]2)c(C2CC2)c1Cl 587117536 UBBMAANMYITCPN-UHFFFAOYSA-N 405.811 5.100 0 1 HKAF FC1(F)Oc2cc3nc(/C=C\c4ccc(SC(F)(F)F)cc4)[nH]c3cc2O1 587123358 DGJPVQAARPREMS-UTCJRWHESA-N 400.328 5.667 0 1 HKAF CC(C)[C@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)N(C)C(=O)OC(C)(C)C 587198055 SBZRBQMQNSLMAZ-CQSZACIVSA-N 418.282 5.168 0 1 HKAF CCn1ncc(Cl)c1-c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587358727 TTWCBOYTBYSUJH-UHFFFAOYSA-N 403.869 6.193 0 1 HKAF COc1cc2c3c(c1)O[C@@](CCC(=O)c1cccs1)(c1cccs1)[C@@H](C2)C3=O 587450972 MLBMAVHVKXSYJY-OYHNWAKOSA-N 410.516 5.124 0 1 HKAF COc1cc2c3c(c1)O[C@](Cc1nc4ccccc4s1)(c1ccccc1)[C@@H](C2)C3=O 587452549 OBFDJBPIEVNVQL-AVRWGWEMSA-N 413.498 5.191 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1sc(Sc4ccccc4)nc1Cl)[C@@H](C2)C3=O 587453211 WBNKMOJSHMWPIE-GUYCJALGSA-N 415.923 5.445 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccn(-c3c(CC)cccc3CC)c1)CC2=O 587468839 BJMRRAZIPLGTQA-DEOSSOPVSA-N 403.522 5.967 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc3c1ccn3C(=O)OC(C)(C)C)CC2=O 587475730 OIMZWVMGWIGLGH-JOCHJYFZSA-N 421.493 5.789 0 1 HKAF Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 587500825 YHLWMAAOPYUATD-NRFANRHFSA-N 410.311 5.526 0 1 HKAF O=C1C[C@@H](c2ccc(Oc3ccc(Cl)cc3)cc2)Oc2c1ccc1c2CCCC1 587503642 VZWPTDUTKBYEAL-DEOSSOPVSA-N 404.893 6.718 0 1 HKAF O=C1C[C@@H](c2cccc(-c3ccc(C(F)(F)F)cc3)c2)Oc2c1ccc1c2CCCC1 587506460 JSGLVGIJFSHSLK-DEOSSOPVSA-N 422.446 6.958 0 1 HKAF COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCc1ccccc1 587522905 IYOLDFZFUNLEGI-VWLOTQADSA-N 414.501 5.860 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cc(C(F)(F)F)ccc12 587545706 HEFVJIOQZPGVGB-KNQAVFIVSA-N 412.363 5.214 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1C(F)(F)F 587549556 QWTNFVMNUNOZIA-FXAWDEMLSA-N 404.315 5.253 0 1 HKAF CCOC(OCC)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587590652 ACLBNNNXPMELIU-QPPBQGQZSA-N 420.461 5.167 0 1 HKAF CC[C@]1(c2ccc(OCC(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595480 OKJWASRRASWXJJ-ZEQKJWHPSA-N 418.489 5.694 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1Oc1cc(O)ccc12 587606194 CDHGKNNDQMOXIY-OZXSUGGESA-N 424.408 5.109 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2nccs2)c1 587619864 VDTTXSQGLDGMAP-KNQAVFIVSA-N 401.443 5.219 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)ccc2Cl)N1 587711237 IWRFQJMKKXZWHA-ZKANADHPSA-N 422.647 5.884 0 1 HKAF CC[C@]1(c2c(F)ccc(F)c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587716243 JNRXDAATPVQASQ-YYSFKGJASA-N 402.229 5.193 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(Cl)c2Cl)N1 587716813 DZJGJDRHUJFANA-QZTNRIJFSA-N 407.085 5.658 0 1 HKAF COc1ccc(Cl)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F 587721512 WOGDMISLMUONRJ-QPFGOUBPSA-N 402.666 5.013 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(C2CCCC2)N1 587731561 HALGUVQUSGELLI-ZSEKCTLFSA-N 406.314 5.695 0 1 HKAF CCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC 587797569 WDWHWRVREDDIKJ-LRTDBIEQSA-N 422.338 5.399 0 1 HKAF CCCc1ccc([C@@]2(C(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587814614 UZAIWJWSLAJVSD-OYHNWAKOSA-N 404.367 5.975 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](c3ccccc3)C[C@@H](C)C2)N1 587816866 FEMNXIDBCDTBGL-ORENWSFKSA-N 402.351 5.922 0 1 HKAF Cc1cccc(-c2csc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2)c1 587855269 UENVAWXBAIBHMV-BLVKFPJESA-N 417.347 5.644 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2c(s1)CC[C@@H](C)C2 587864646 QXJXEJMHPQPULT-GFCCVEGCSA-N 420.456 5.452 0 1 HKAF COC[C@H](C)Oc1ccc([C@@H](CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl 653799724 ZWOHLWADEZHKEZ-OXJNMPFZSA-N 412.961 6.342 0 1 HKAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@@]21C=C[C@@H](C(F)(F)F)CC1 962956612 MCLSZIFSORREEE-FZKQIMNGSA-N 405.382 5.081 0 1 HKAF Cc1sc2c(c1C)CCN[C@]2(c1cccc(F)c1)c1c(N)sc2c1CCCC2 963008040 IZPOENKTJLKCDD-HSZRJFAPSA-N 412.599 5.464 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC(C)(C)C)c1ccccc1C(=O)OCC 963227664 KAZXHHCGDBHQLV-HRFSGMKKSA-N 407.598 6.200 0 1 HKAF Cc1cc(OCCCn2ccc3ccc(OCCCC(=O)O)cc32)cc(C)c1Cl 1772601300 OGEXMAKQVKCGHB-UHFFFAOYSA-N 415.917 5.624 0 1 HKAF CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc4n[nH]cc4c3)c2)cc1 1857642391 MRVJWJLJUUWNQV-UHFFFAOYSA-N 412.493 5.365 0 1 HKAF O=C1CCN(C(=O)c2ccccc2)c2ccc(Oc3ccccc3Br)cc21 1857772666 IPSJFRWZVRJQEA-UHFFFAOYSA-N 422.278 5.475 0 1 HKAF CC(C)[C@@]1(C[C@@H](C)[C@@H]2CC[C@@H]3C4=CC[C@@H]5C[C@H](N)CC=C5C[C@H]4CC[C@@]32C)C=NCC1 2356306969 LQMCJEXVBUNOCC-WQJPGQHDSA-N 422.701 6.956 0 1 HKAF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)ccc1OC=CC(C)C 2356498980 NXUQPWMHPDPMCA-QXVOXHNYSA-N 424.493 5.048 0 1 HKAF O=C(O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCCCc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@H]1[C@H]2[C@H]43 2356570827 XCPLQXFRKHDBSP-AROVDQBMSA-N 406.522 5.089 0 1 HKAF CC1(C)CC[C@@]2(C)[C@@H](C1)C1=CC[C@@H]3[C@@H]4CC[C@H](O)C(C)(C)[C@@H]4CC[C@H]3[C@]1(C)C[C@H]2O 2356727408 NAWYQIYLOZTOBS-NDYIRAFQSA-N 414.674 6.360 0 1 HKAF Cc1cc(O)cc2c1O[C@](C)(CC1=C[C@]3(C)CCC[C@]3(C)[C@@]3(C=CC(C)(C)O3)C1)CC2 2356808505 YWIBFTSPRRZAAQ-LAJGZZDBSA-N 422.609 6.805 0 1 HKAF Cc1cc2nc(CCN(Cc3cccnc3)C(=S)Nc3ccccc3)[nH]c2cc1C 8670373 ANPNRLKOCVJDFZ-UHFFFAOYSA-N 415.566 5.016 0 3 HKAF CCCCNc1c(-c2ccc(OC)c(SC3CCCCC3)c2)nc2cc(C)ccn12 36382308 USMHUWBUXKQKFV-UHFFFAOYSA-N 423.626 6.955 0 3 HKAF CC(C)c1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 774951 AKOHLYKIBYNFQB-SFTDATJTSA-N 422.500 5.304 0 1 HKAF CC(/C=C/c1ccccc1-c1cc(C(C)C)cc(C(C)C)c1OCCCF)=C\C(=O)O 1554217 KWICUVGFGSNCGA-POQLEOJZSA-N 424.556 7.383 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 5758826 PMWTYEQRXYIMND-DTLXENBRSA-N 404.679 6.439 0 1 HKAF FC(F)(F)c1cccc(Nc2nnc(-c3cccnc3CCc3cccnc3)o2)c1 14946573 VLTJRWVVLVBBPN-UHFFFAOYSA-N 411.387 5.074 0 1 HKAF Cc1[nH]nc2c1c(=O)[nH]c1c(CCCN)c(C3CCCCC3)c(C3CCCCC3)cc12 28957040 VQROUQARXWDBKI-UHFFFAOYSA-N 420.601 5.700 0 1 HKAF CCN(c1cccc2ccccc12)[C@@H]1CCCc2nc(-c3cccnc3)cc(OC)c21 29053156 HHZIUGCHISUKOA-RUZDIDTESA-N 409.533 6.209 0 1 HKAF N=c1sc(-c2ccccc2F)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl 29417133 PBCDKVQQIWSITC-UHFFFAOYSA-N 408.207 5.545 0 1 HKAF O=C(Nc1ccccn1)c1ccccc1NC(=O)c1sc2ccccc2c1Cl 29482771 PYAQRAOAAPOAPO-UHFFFAOYSA-N 407.882 5.454 0 1 HKAF CCC(=O)Oc1ccccc1C[C@@H](c1ccccc1)N1CCN(C2CCCCC2)CC1 39233860 OODLDZZWJDDTHK-VWLOTQADSA-N 420.597 5.236 0 1 HKAF COc1cc(-c2c(C)cccc2C)nc2c1[C@H](N(C)c1c(C)cccc1C)CCC2 40413374 RSGJNMHEDWRJJK-HSZRJFAPSA-N 400.566 6.505 0 1 HKAF O=C(Nc1cccc(OCc2ccc(-c3cc(F)cc(F)c3)cc2)c1)C1CCNCC1 40836290 FSUQHIRPYCSKNJ-UHFFFAOYSA-N 422.475 5.149 0 1 HKAF Cc1cc(/C=C2\C(=O)Nc3ccc(F)cc32)c2ccccc(OCCCN(C)C)c1-2 43195357 YMXYPDNRDMMODA-STZFKDTASA-N 404.485 5.062 0 1 HKAF Cc1cccc2nc(-c3ccc(-c4cccc(NC(=O)c5ccncc5)c4)cc3)[nH]c12 45302833 XJRUXZMCKCREGD-UHFFFAOYSA-N 404.473 5.853 0 1 HKAF Clc1ccc(-c2nc(N3CCOCC3)nc3c2CCc2ccccc2-3)c(Cl)c1 45321338 ZKAUZPDFUVQQJH-UHFFFAOYSA-N 412.320 5.053 0 1 HKAF CC(=O)Nc1ccc(OC(=O)c2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)cc1 45355732 LBLAERJQWJCFLF-UHFFFAOYSA-N 415.371 5.022 0 1 HKAF Cc1ccc2c(c1)CCN(c1nc(C(C)(C)c3ccc(F)cc3)nc(C)c1C)[C@@H]2C 64549135 FOXQIJUIDNTMHP-LJQANCHMSA-N 403.545 5.991 0 1 HKAF CCc1cccc2c(-c3nc(CN(CC)CC)cs3)cn(CC3CCOCC3)c12 71294230 ZXEOXGMTUMPKSG-UHFFFAOYSA-N 411.615 5.596 0 1 HKAF O=C(Nc1ccc(F)cc1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 71329294 GAOLHPLKTFFZEY-UHFFFAOYSA-N 414.396 5.933 0 1 HKAF O=C(NCC1(c2ccc(F)cc2)CCCCC1)[C@H]1CCCN(Cc2ccccc2)C1 72116276 VMCKNFNPDRBVMT-QFIPXVFZSA-N 408.561 5.056 0 1 HKAF Cc1ccc(Sc2ccc(O)cc2)c(Nc2ncnc3nc(C4CCC4)ccc23)c1 73294455 GAPREFLZXBRKDV-UHFFFAOYSA-N 414.534 6.201 0 1 HKAF CC(C)N(Cc1ccccc1)C(=O)c1cnc(NC2CCCCC2)nc1-c1ccco1 82142851 FZJGPSVXTLVWQO-UHFFFAOYSA-N 418.541 5.532 0 1 HKAF CC[C@@H](C)Nc1ncc(C(=O)NCc2ccccc2Cl)c(-c2cccc(C)c2)n1 82146760 LJVZOQBCNMXVIE-MRXNPFEDSA-N 408.933 5.246 0 1 HKAF COc1ccc2cc(-c3nc(COCc4ccccc4)[nH]c3-c3ccncc3)ccc2c1 84655117 GJZFHBRIGKURLW-UHFFFAOYSA-N 421.500 6.017 0 1 HKAF CC1(CN2C(=O)S/C(=C\c3ccc(O)c(C(F)(F)F)c3)C2=O)CCCCCC1 84711407 QSFDVKLMSNHRQY-WJDWOHSUSA-N 413.461 5.808 0 1 HKAF COc1ccc(C2(c3ccc(OC)cc3)C[C@@H]3c4ccccc4[C@@H]2c2cccc[n+]23)cc1 100729138 AJPRCVPCFLEYGE-VSGBNLITSA-N 420.532 5.416 0 1 HKAF O=C(Nc1ccc(F)c(-c2nc3cc(-c4cccs4)cnc3[nH]2)c1)N1CCCC1 103271541 LOKJQVWVZJPTBY-UHFFFAOYSA-N 407.474 5.120 0 1 HKAF O=S(=O)(c1ccc(F)cc1)c1cnc2c(F)cccc2c1-c1cccc(Cl)c1 115922651 QFNIQTXZNSPEMV-UHFFFAOYSA-N 415.848 5.666 0 1 HKAF C[C@@H](Oc1ccc(C(F)(F)F)cc1OC1CNC1)c1cccc(C(F)(F)F)c1 118539468 PQHWHHSAKLPIFS-LLVKDONJSA-N 405.338 5.215 0 1 HKAF CCCCCCNC(=O)Oc1cccc(-c2ccc([C@H](C)C(=O)OC)cc2F)c1 143701550 ICCRRGDHQNIXDV-INIZCTEOSA-N 401.478 5.438 0 1 HKAF O=C1CCC[C@H](c2c(F)cccc2Cl)N1Cc1ccc(OC(F)(F)F)cc1 167358362 VIYKASCCLMMDFJ-MRXNPFEDSA-N 401.787 5.632 0 1 HKAF CC(C)c1ccccc1-c1ncc(F)c(NC(C)(C)c2ccc(-n3ccnn3)cc2)n1 169303331 VHRGTOQBRIOGJC-UHFFFAOYSA-N 416.504 5.334 0 1 HKAF CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)/C=C\CC/C=C\CCCC(=O)O 169636566 PCJNPOCWIRLPDQ-ITGKXPFYSA-N 420.722 9.209 0 1 HKAF Cc1ccc2c(c1)N[C@@H](c1c(F)cccc1Cl)[C@H]1C(=O)CC3(CCCC3)CC1=N2 169722015 RAPQXGOFQFJBAA-PKTZIBPZSA-N 410.920 6.566 0 1 HKAF Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H]1CCCc2nc(C(F)(F)F)sc21 220870993 PHKKLODJSCAFLC-SNVBAGLBSA-N 423.287 5.513 0 1 HKAF C/C(=C\C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 257399921 CTWRZEHGRSDRPG-CKXGYLITSA-N 412.702 7.801 0 1 HKAF endogenous,in-man Cc1ccc(-c2cc(-c3ccccc3)nc(NC[C@H]3CC[C@H](C(=O)O)CC3)n2)cc1 299828614 QWIZRVQUSUTBDP-XGAFWQRZSA-N 401.510 5.422 0 1 HKAF Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N2CCCC2)c1 299881078 NIXYQFLWAAPVBG-CMCXCUNFSA-N 418.585 5.171 0 1 HKAF Clc1cc2nc(-c3cn(-c4ccccc4)nc3-c3ccccc3)[nH]c2cc1Cl 473113066 HLJOVSUHHMFMIN-UHFFFAOYSA-N 405.288 6.389 0 1 HKAF O=C(Nc1ccccc1F)Nc1cc2ncncc2cc1OCc1ccccc1F 473152936 XMBDSQBCVZTCJR-UHFFFAOYSA-N 406.392 5.131 0 1 HKAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 586972644 JTMGOWMVOLJHGZ-HSZRJFAPSA-N 417.534 5.466 0 1 HKAF O=Cc1cc(Br)cc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 586983088 VNYZGSBLGOGIKD-UHFFFAOYSA-N 407.267 5.384 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccnc(Br)c2[nH]1 587013983 FQSYMUYMAHPVNV-UHFFFAOYSA-N 405.708 5.473 0 1 HKAF Cc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Cl 587025147 DXSFGOQEHLMLQT-YSSFQJQWSA-N 413.974 5.661 0 1 HKAF FC(F)(F)c1c(Br)ccc2nc([C@H]3SCCc4sccc43)[nH]c12 587036645 IIGGZHBNHVUUBK-ZDUSSCGKSA-N 419.291 5.784 0 1 HKAF Nc1ccc(-c2ccc3nc(-c4coc(-c5ccccc5Cl)n4)[nH]c3c2)cc1N 587060378 DMBJUFWYUQFPBA-UHFFFAOYSA-N 401.857 5.370 0 1 HKAF COC(=O)c1ccnc2[nH]c([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc12 587069855 FRJOXKQBAHYUHR-LAOKBDHQSA-N 416.308 5.417 0 1 HKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587070749 WHHFPFUSQNHWAF-HNNXBMFYSA-N 402.881 5.824 0 1 HKAF Cc1cc(Cl)cc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c12 587081642 SEEAWUMDLRUASD-UHFFFAOYSA-N 420.299 6.766 0 1 HKAF COc1cc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2cc1C 587083006 YSHXIGPCGUGFHG-UHFFFAOYSA-N 415.880 6.121 0 1 HKAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587116175 RHOQOYDHXAGISO-UHFFFAOYSA-N 403.113 5.308 0 1 HKAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 587128197 HJXJBIMAHUONPP-UHFFFAOYSA-N 411.355 6.190 0 1 HKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(OCc4ccccc4)ccc3[nH]2)cc1 587159274 WONMYZAHHIAPMH-UHFFFAOYSA-N 422.459 6.428 0 1 HKAF CC(C)(C)c1cccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587159391 OJHUJKAAPBXZJM-QFIPXVFZSA-N 408.904 6.821 0 1 HKAF CC(C)[C@@H](c1nc2cc(Cl)c(Cl)cc2[nH]1)N(C)C(=O)OCc1ccccc1 587197819 PKBLHTWWUKWSBN-SFHVURJKSA-N 406.313 5.835 0 1 HKAF Nc1c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)ccc2ccccc12 587254611 RWWLCVZISGIDSI-UHFFFAOYSA-N 422.204 5.626 0 1 HKAF CCC(=O)Nc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587335301 LCATXYFLGUKEDB-NOZRDPDXSA-N 419.452 5.154 0 1 HKAF Cc1cc(C)c2c(c1)[C@@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359906 STQGZOKZLLBAPA-ZEQKJWHPSA-N 418.464 5.575 0 1 HKAF COc1cccc(-c2c(C)c(-c3c(F)cccc3F)nc3c2oc2ccccc23)c1 587360096 LELGOCRNWGXGGU-UHFFFAOYSA-N 401.412 6.910 0 1 HKAF C[C@@]1(c2nc3ccccc3s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587371710 FTWDZBSTRQKEOV-NZQKXSOJSA-N 405.450 5.415 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1OCc1ccccc1C)[C@@H](C2)C3=O 587443777 PQTBSFFJKNIPAU-NBGIEHNGSA-N 416.473 5.080 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3c(C)noc3C)cc1)CC2=O 587486136 SOXAFUDAEWGJKR-QHCPKHFHSA-N 407.466 5.235 0 1 HKAF O=C1CC2(CCC(C(=O)O)(c3ccc(Cl)cc3)CC2)Oc2c1ccc1c2CCCC1 587505157 YTGXZFSBMPOXKM-UHFFFAOYSA-N 424.924 5.519 0 1 HKAF C[C@@]1(c2ccc(Oc3ccc(F)c(F)c3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587507235 VAHCRQOMXUNTJY-SANMLTNESA-N 420.455 6.517 0 1 HKAF CC(C)(C)OC(=O)NCc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587514974 ZDIIIIQLZSKVER-QFIPXVFZSA-N 407.510 5.297 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)nc1Cl 587555944 MSHYAFYBSMDOQI-QAPCUYQASA-N 421.758 5.162 0 1 HKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Oc1ccccc1 587599968 JPLGQPSUBYNKMZ-RPLLCQBOSA-N 424.452 6.196 0 1 HKAF C[C@]1(Cc2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602324 JDWIHSCGYHYMIE-LBNVMWSVSA-N 422.480 6.022 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)Nc1cccc(Cl)c1 587625324 GOIYQAQEVZYNCP-UHFFFAOYSA-N 420.740 6.420 0 1 HKAF COC(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627648 GUSLPIBQSMGASY-UHFFFAOYSA-N 419.325 5.009 0 1 HKAF O=C(c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2ccc(F)c(Cl)c12)C(F)(F)F 587628520 MZQUICLPCNJPSV-UHFFFAOYSA-N 410.581 6.679 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cc(Cl)ccc1Cl 587653133 DJLKHBWQZQTNKL-UHFFFAOYSA-N 403.215 5.638 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3ccccc3Cl)c2)N1 587692130 AWDFAZZNHJLQCS-NSPYISDASA-N 420.713 5.051 0 1 HKAF CCOc1ccc(Cl)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587696014 KLFQKAITIFONDY-WYRIXSBYSA-N 412.730 5.438 0 1 HKAF CC(C)Oc1ccc(Cl)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587698925 QQKBXAPTTPTDLT-WYRIXSBYSA-N 412.730 5.652 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(Cl)c3)o2)N1 587700748 LZZMOSMUXRLVOH-GIPWTMENSA-N 420.709 6.125 0 1 HKAF CC(C)[C@@]1(Cc2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587700872 SZFCQPRQLOMOQQ-ZUOKHONESA-N 410.758 5.870 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)c(Cl)cc2Cl)N1 587722934 UPAUXLXONQWOKW-RBHXEPJQSA-N 421.112 5.832 0 1 HKAF Cc1cc(OC(F)(F)F)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587723048 UYVJDZMPODYULZ-BMLIUANNSA-N 418.228 5.419 0 1 HKAF Cc1ccc(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587794278 LQBYAZMAPRMSIC-YEJXKQKISA-N 414.322 5.219 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C3CCCCC3)s2)N1 587849154 QTYZNHCNCWIMOL-ODXCJYRJSA-N 408.380 6.321 0 1 HKAF COc1c(Cc2cccc3ccccc23)cc(O)n1-c1cccc(Br)c1N 587935487 BAUJQAOZDCKKRP-UHFFFAOYSA-N 423.310 5.280 0 1 HKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587952995 YSPDXPOBMZXCPH-XPIZARPCSA-N 405.567 6.886 0 1 HKAF Cc1ccccc1-c1ccc(Cc2nc3ccc(I)cc3[nH]2)cc1 587958930 HZMNNWXKAKKHGZ-UHFFFAOYSA-N 424.285 5.734 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cccc(F)c2[nH]1 587960149 OEYOTMYZYLAKQO-WWMAXSSBSA-N 420.616 8.556 0 1 HKAF O=C(NCc1ccco1)N1c2ccccc2N=C2CCCC(O)=C2[C@@H]1c1ccco1 618019066 OLMUUHJYIUYBOH-QFIPXVFZSA-N 403.438 5.412 0 1 HKAF Cc1nc(C)c(CNc2nc(CC[C@H]3C[C@@H]3c3ccccn3)nc(Cl)c2C)s1 653808363 MDXQQOOZCSAVOU-HOTGVXAUSA-N 413.978 5.255 0 1 HKAF CCCCc1cn([C@H](CN2CCCCC2)c2ccc3sc4ccccc4c3c2)nn1 653856973 CRMCNRYCLPUBHP-HSZRJFAPSA-N 418.610 6.064 0 1 HKAF CC(C)c1nn(C)c2c1[C@@](C)(c1cc(Cl)c(Cl)c(OC(F)(F)F)c1)NCC2 962921538 OBBZVHYASPMYBC-QGZVFWFLSA-N 422.278 5.158 0 1 HKAF Cc1cc2c(cc1O)[C@]1(CCCCCCCCCCCC[C@@H](C)C1)N[C@H](C(=O)O)C2 963473120 RDMMZKDFIMKTJF-FRPAHBMMSA-N 415.618 6.216 0 1 HKAF FC(F)(F)c1ccc2nc([C@H]3[C@H]4c5cc(Oc6ccncc6)ccc5O[C@H]43)[nH]c2c1 1772571384 MQIILRMBQJPTPO-HSALFYBXSA-N 409.367 5.411 0 1 HKAF COc1ccc(N2C(=O)[C@@](C)(CCCc3ccc(N(C)C)cc3)c3ccccc32)cc1 1772627830 LZJXYNPEROOMJR-MHZLTWQESA-N 414.549 5.720 0 1 HKAF NS(O)(O)c1ccc2[nH]c(-c3ccc(Oc4ccc(Cl)cc4)cc3)nc2c1 1772642530 CIQYNZQBTKFRQZ-UHFFFAOYSA-N 401.875 5.659 0 1 HKAF COc1cccc(Cc2cc3c(s2)CCN2Cc4c(OC)ccc(OC)c4C[C@@H]32)c1 1857643084 GNHZCYFFQKMAHI-QFIPXVFZSA-N 421.562 5.020 0 1 HKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOC[C@H]1COC(C)(C)O1 2356462795 FRTYVHDVOQZSFS-QORCZRPOSA-N 412.699 7.620 0 1 HKAF COC(=O)C1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC[C@@H](C)CCOC(=O)C(C)C 2356549891 LKEDBIJRCHKPBF-GUQHISFFSA-N 406.607 5.944 0 1 HKAF C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 2356565442 CIBAPVLFORANSS-AWVRQOIUSA-N 414.630 6.002 0 1 HKAF CN(C)c1cccc(Nc2nccc3c2cc(-c2cccc(C(F)(F)F)c2)n3C)c1 205206425 UNFOYPTZIRRQQW-UHFFFAOYSA-N 410.443 6.069 0 3 HKAF FC(F)C(F)(F)Oc1cccc(Nc2nccc(-c3c[nH]c4ccccc34)n2)c1 592574 HCZZACRTGWSLPL-UHFFFAOYSA-N 402.351 5.605 0 1 HKAF CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccccc1Cl 1552597 SNEASOMYEIJPCK-SFQUDFHCSA-N 414.958 5.700 0 1 HKAF FC(F)(F)c1ccc2c(c1)nc(-c1ccccc1)n2C[C@H]1CCCN2CCCC[C@H]12 5596648 VMZQRZAFYVIVPQ-WIYYLYMNSA-N 413.487 5.987 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@@H]3[C@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 8214924 CIBAPVLFORANSS-QMOYHIIQSA-N 414.630 6.002 0 1 HKAF O=C(c1c[nH]c2cc(Oc3ccc(F)cc3)ccc12)[C@@H]1CS[C@H](c2cccnc2)N1 13737462 BTORIACRBGWOOJ-JTHBVZDNSA-N 419.481 5.081 0 1 HKAF COc1ccc([C@H]2C[C@@H](c3ccccc3)Oc3cc(OC)c(OC)c(OC)c32)cc1 13829981 CFGQWBDCZVBPFW-UXHICEINSA-N 406.478 5.377 0 1 HKAF CC(C)=CCC/C(C)=C/[C@H](O)C/C(C)=C/CC[C@]1(C)C=Cc2cc(O)cc(C)c2O1 14691544 BDPWTJZRRJMGSJ-PXHMTAMCSA-N 410.598 7.035 0 1 HKAF O=C1C[C@](CCc2ccccc2)(c2ccccc2)OC(=O)[C@H]1SCc1ccccc1 18038221 PXJUAFZQGCGBFK-AZGAKELHSA-N 416.542 5.333 0 1 HKAF CN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(C(F)(F)F)cc32)CC1(C)C 22938044 FOLDFBZXQLCLJB-PZJWPPBQSA-N 406.467 5.447 0 1 HKAF CC(=O)[C@@]12O[C@H](c3ccco3)O[C@@H]1C[C@@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 26992630 KFWQVULWJVNYFA-UQXLWICXSA-N 424.537 5.163 0 1 HKAF CCCCN(CCCC)CCCOc1ccc(/C=C/c2nc3ccccc3o2)cc1 29473136 FPIZKWIWDOGILJ-SAPNQHFASA-N 406.570 6.669 0 1 HKAF Cc1ccc(-n2c(C)nc3c(Nc4ccc(-c5ccncc5)cc4)ncnc32)c(C)c1 45317782 YSWGQURKOWDRCS-UHFFFAOYSA-N 406.493 5.546 0 1 HKAF COC(=O)c1ccc2c(c1)c1c(n2CCc2nc3cc(C)c(C)cc3[nH]2)CCCC1 73161891 UNEVSGYRSLGITK-UHFFFAOYSA-N 401.510 5.043 0 1 HKAF COc1ccccc1CCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccco2)n1 82166326 MJXGVCTVWIPSBO-UHFFFAOYSA-N 406.511 5.140 0 1 HKAF Cc1cccc(-c2nc(NCc3cccc(C(F)(F)F)c3)ncc2-c2ncc(C)o2)c1 82173809 KSBGPZLUZSJNIY-UHFFFAOYSA-N 424.426 6.046 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCc3ccc(C)cc3)ncnc21 82179139 RNZKJOQLGJECTP-MRXNPFEDSA-N 419.960 6.113 0 1 HKAF CCCCCNc1ncnc2c1nc(-c1ccc(C(=O)OC)cc1)n2CCCCC 82186340 AVEAEMOOQIBKKC-UHFFFAOYSA-N 409.534 5.072 0 1 HKAF CN1CCC[C@H]1CCn1c(C2CCCCC2)nc2c(NC3CCCCCC3)ncnc21 82190716 XIPQMKNJHIBFDQ-NRFANRHFSA-N 424.637 5.493 0 1 HKAF O=C1NC2=C(CNC/C2=C\c2cccc3ccccc23)[C@@H](c2cccc3ccccc23)N1 96270584 HJLNAOWFRZQKHV-AGCWBBONSA-N 417.512 5.288 0 1 HKAF CCCCCOc1ccccc1-c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)no1 96911094 QQYXKQTWUNAINA-UHFFFAOYSA-N 408.542 5.609 0 1 HKAF CCC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1c(Cl)cccc1Cl 103921747 MAFKRHUYYSPJMA-JOCHJYFZSA-N 415.320 6.560 0 1 HKAF O=C(c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)N1CCCCC1 145576064 AHNRYRMCWPICBG-FQEVSTJZSA-N 420.534 5.628 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 169323618 DXSCVNXGNJVZAB-ULZUDCSASA-N 412.618 5.013 0 1 HKAF O=C(c1cccc(-c2cc(C(F)F)c3c(-c4ccccc4)[nH]nc3n2)c1)N1CCCC1 206710244 ILFLOGJBNOAWQK-UHFFFAOYSA-N 418.447 5.466 0 1 HKAF Cc1cccc(-c2ccccc2)c1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 586878477 ILSPJUUQQDQLOZ-UHFFFAOYSA-N 407.267 5.666 0 1 HKAF CCCOc1cc2[nH]c(-c3ccc(-c4ccc(C)o4)cc3)nc2cc1Br 586902524 FPTBVXDPWVRJFT-UHFFFAOYSA-N 411.299 6.350 0 1 HKAF CCc1c(-c2ccc(Cl)cc2Cl)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586993991 SZCJUXBVERJRJO-UHFFFAOYSA-N 418.323 7.291 0 1 HKAF Brc1n[nH]c2ccc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)cc12 587008564 YODUXOAMIPHYGV-UHFFFAOYSA-N 419.282 5.448 0 1 HKAF CCCCCOc1cc2nc(-c3nc(N)sc3CCC)[nH]c2cc1Br 587013625 VDCBIBFJJLPOGU-UHFFFAOYSA-N 423.380 5.553 0 1 HKAF CCOC(=O)c1ccc2nc(-c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2c1 587045880 IDOUQLJOYHCDEB-UHFFFAOYSA-N 402.878 5.103 0 1 HKAF Clc1cccc(COc2ccc(/C=C\c3nc4ccc5c(c4[nH]3)CCCC5)cc2)c1 587069520 DYBWXXUPGGDMPK-GDNBJRDFSA-N 414.936 6.845 0 1 HKAF O=C(O)c1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587070070 QKUMZTKOZQMKPU-SDXDJHTJSA-N 402.881 6.088 0 1 HKAF Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cccnc3[nH]2)cc1 587076461 MLWKIRKGTCGWHD-JQIJEIRASA-N 408.892 6.313 0 1 HKAF Cc1cc(Br)c2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c2c1 587076797 OTPGZYWHALKACV-UHFFFAOYSA-N 414.690 5.722 0 1 HKAF O=C(O)c1ccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2c1 587082634 SXCXUXHIMOLFNZ-UHFFFAOYSA-N 415.836 5.502 0 1 HKAF CC(C)(C)OC(=O)N[C@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587104784 WDCXWEDMZNOYGY-IBGZPJMESA-N 400.478 5.348 0 1 HKAF COc1ccccc1[C@H]1CC(=O)Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587107170 PLAVUWZUDXMQHR-HXUWFJFHSA-N 405.453 5.102 0 1 HKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)cc(Br)c2[nH]1 587113850 NZAAOYACTZTUCL-VIFPVBQESA-N 417.656 6.344 0 1 HKAF OC1(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CCC(C(F)(F)F)CC1 587125527 GRFQPIOUBHRJIC-UHFFFAOYSA-N 402.722 5.055 0 1 HKAF Fc1cc(Br)c2[nH]c(-c3ccccc3-c3ccc(F)c(F)c3)nc2c1 587145611 ODAAKFUYWUCANW-UHFFFAOYSA-N 403.201 6.077 0 1 HKAF O=NCc1ccc(-c2nc3c(C(=O)Nc4ccc(C(F)(F)F)cc4)cccc3[nH]2)cc1 587191217 VVYZMNROWGHACB-UHFFFAOYSA-N 424.382 5.767 0 1 HKAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587242653 YANNXANZXRAJSI-UHFFFAOYSA-N 411.811 5.767 0 1 HKAF Nc1ccccc1-c1ccc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)cc1 587249507 BOJVSSGOVHTSOC-UHFFFAOYSA-N 404.342 5.528 0 1 HKAF CSc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F 587330844 IOBJDNRVVLAHEA-JTHBVZDNSA-N 412.457 5.667 0 1 HKAF Cc1ccc(C)c2c1OCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356067 HTZBNVSYFLGGTC-RCZVLFRGSA-N 404.437 5.185 0 1 HKAF CC1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 587358297 WKGXDKTVNALPBU-RCZVLFRGSA-N 420.436 5.052 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(NC(=O)c3ccc(Cl)cc3)c1)O2 587379122 SQSWFDREFFUTBQ-OAQYLSRUSA-N 406.869 5.189 0 1 HKAF COc1ccc2cc(CC[C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2c1 587524220 KNCOLNOFNWLHIS-MHZLTWQESA-N 400.518 6.084 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2)c(F)c1 587556755 ZSHKBUCOHJKSEX-JYFHCDHNSA-N 412.416 5.901 0 1 HKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C1CCCCC1 587579293 UIVXMIIFRCPCPV-BVAGGSTKSA-N 417.505 6.019 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC2CCCC2)cc1 587600216 NBCABYRKJPCXQA-DHLKQENFSA-N 402.446 5.417 0 1 HKAF Cc1cc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)ccc1O 587608980 NPVMMNOFTKJTAO-SHQCIBLASA-N 424.452 5.776 0 1 HKAF CC(C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)Nc1ccccc1 587625215 BXYGQHNIMHUQJR-UHFFFAOYSA-N 414.349 6.581 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3C(F)(F)F)c(C)c2c1 587641568 MNCMSRWZGSSUHK-NSHDSACASA-N 410.277 7.438 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2ccccc2Cl)N1 587695358 JEKMPMNBCXWPDT-OVWNDWIMSA-N 420.713 5.255 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cc(Cl)cc2Cl)N1 587695890 SLIYSNNAWVCNSF-GYKQLYQFSA-N 423.540 6.172 0 1 HKAF Cc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587711383 XAQPXAOZWRFGMW-KZULUSFZSA-N 416.256 5.545 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C(F)(F)F)c1 587713207 SCCKTGZOVYEEFS-DYZYQPBXSA-N 402.229 5.539 0 1 HKAF COc1cccc(OCc2ccc(-c3nc4ncc(Br)c(C)c4[nH]3)cc2)c1 587780780 INRVUBSKHHOKEZ-UHFFFAOYSA-N 424.298 5.283 0 1 HKAF Cc1cc(C)cc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 587817680 DNXQXOUWKDOWDY-UPCLLVRISA-N 424.357 6.496 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCCC3)Oc3ccccc32)N1 587836750 BFJWWVWSXWFLPI-JLCFBVMHSA-N 416.334 5.461 0 1 HKAF Cc1nc2scc(C3CC3)n2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587855574 JPEIODSNCWISQJ-XLFHBGCDSA-N 420.351 5.107 0 1 HKAF CC(C)(C)c1ccc(-c2cc(O)n(-c3cnc(Cc4ccc(F)cc4)nc3)c2O)cc1 587945667 HKULJDLFOYWPIP-UHFFFAOYSA-N 417.484 5.373 0 1 HKAF COc1cc2c(cc1OC)[C@H](c1ccc(N(C)c3ccc(F)cc3)cc1)N(C)[C@H](C)C2 962630807 SVODBIHCMUSJHB-QUGAMOGWSA-N 420.528 5.577 0 1 HKAF CC(C)(C)c1ccc([C@]2(c3ccccn3)NCCc3cccc(-c4ccccc4)c32)cc1 962663320 GEELPDJQGFREGQ-SSEXGKCCSA-N 418.584 6.484 0 1 HKAF Cc1cc([C@@]2(C(F)(F)F)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)ccc1Cl 962773703 XLUBGLUPHPETRK-NVXWUHKLSA-N 421.768 5.100 0 1 HKAF O=C1c2ccccc2[C@@]2(c3c(F)cccc3C[C@H]3CCCN32)c2c(Cl)cccc21 963086636 BFVNUVLTGUECNP-PUAOIOHZSA-N 403.884 5.336 0 1 HKAF CC(C)(C[C@@]1(c2ccc(Cl)cc2)c2ccc(F)cc2C[C@@H]2CCCN21)C(=O)O 963106696 KDTUNRBQCVLFMR-WMZHIEFXSA-N 401.909 5.244 0 1 HKAF FC(F)(F)c1cccc(Nc2nc(C(Cl)(Cl)Cl)nc3ccsc23)c1 1772639179 NLHARNVZZKSKHN-UHFFFAOYSA-N 412.651 6.280 0 1 HKAF O=C(Nc1ccc2nc(S)sc2c1)c1ccc(OC(F)F)c(OCC2CC2)c1 1857647761 YKSFHOARMIOALP-UHFFFAOYSA-N 422.478 5.228 0 1 HKAF CCC[C@@H]1[C@]2(C)C[C@H](O)[C@H]([C@H](C)N(C)C)[C@]2(C)CC[C@]12C[C@]21CC[C@H](N)C(C)(C)C1 2356583474 UVVUDBUSZSDPJI-QFEANKBPSA-N 418.710 5.454 0 1 HKAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2C[C@H](O)[C@@H]2[C@H](C(C)=O)CC[C@@]23C)C1(C)C 2356673408 MLAAWJXDCTXSPC-RMNANSMPSA-N 418.618 5.163 0 1 HKAF CCCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3OC)n2)s1 8579128 QMGOKDBVXKRKLG-UHFFFAOYSA-N 402.545 5.456 0 3 HKAF aggregator CC(C)(C)c1noc(-c2ccc(Cl)cc2F)c1C(=O)NCCc1ccc(F)cc1 775612 JTIPYJSCVJIGDX-UHFFFAOYSA-N 418.871 5.543 0 1 HKAF CC(C)CC(=O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C 5360007 WCONBNFLHMTKFI-GNGILNPGSA-N 416.646 5.539 0 1 HKAF Cc1ccc2cccc(N3CCN(CC[C@H](O)c4csc5ccccc45)CC3)c2n1 13491136 XSXIANABPCNAPP-QHCPKHFHSA-N 417.578 5.004 0 1 HKAF O=C(CCCCCCOc1ccc(-c2ccccc2)cc1)c1nc2ncccc2o1 13587158 PJAXNGSVUYPLSF-UHFFFAOYSA-N 400.478 6.102 0 1 HKAF C/C(=C/C=C/C(C)=C/C(=O)O)c1cc(-c2ccco2)cc(C(C)C)c1OCC(F)F 13587540 IIGXFBSZCFYBHM-JCBBLABWSA-N 416.464 6.704 0 1 HKAF FC(F)(F)c1cc(CCCC2(c3ccccc3)CCNCC2)cc(C(F)(F)F)c1 13781996 SBIUVIYDWWXAGW-UHFFFAOYSA-N 415.421 6.368 0 1 HKAF CC(C)CC(=O)c1ccc(OCCCCOc2ccccc2)c(Br)c1O 28335111 JWSQDVPOPFGGEP-UHFFFAOYSA-N 421.331 5.622 0 1 HKAF CCc1ccccc1-c1nc(-c2ccc3cc(OC)ccc3c2)c(-c2ccncc2)[nH]1 28824344 QKXNRULCABHVDY-UHFFFAOYSA-N 405.501 6.530 0 1 HKAF C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/C[C@@](C)(O)CC 33820703 SDNPMPPOEBUGME-FRNRMDAOSA-N 412.658 6.900 0 1 HKAF Cc1cc(OCc2cc(-c3ccccc3)cc(-c3ccccc3)c2)ccc1OCC(=O)O 36757832 UDWOWKJZJXETKQ-UHFFFAOYSA-N 424.496 6.371 0 1 HKAF Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc(-c2ccccc2)n1Cc1ccc(Cl)cc1 40413410 RAHLSSRKGVUWGG-LEEZEASISA-N 418.968 6.084 0 1 HKAF CCc1sc(N2CCC(C)CC2)nc1C(=O)Nc1ccc(F)cc1C(F)(F)F 45324217 JKANPFMEKMBEMU-UHFFFAOYSA-N 415.456 5.352 0 1 HKAF C[C@]12CCC(=O)C(OC(=O)c3ccccc3)=C1C=C[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 58533438 JFHSFIQPXPMSFO-BUIQJFRMSA-N 404.506 5.048 0 1 HKAF O=C1c2ccccc2C(=O)N1CCCCCCCCCCOc1ccc(Cl)cc1 58569096 CGLGSRXYSIVYOT-UHFFFAOYSA-N 413.945 6.136 0 1 HKAF CN(C)[C@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1 66111536 WQOCQKUJZPLYJO-LJQANCHMSA-N 418.537 5.377 0 1 HKAF CC(C)C/C=C/[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 72136340 NFWKUHWWUWPAOU-HCYXZYOZSA-N 414.630 5.747 0 1 HKAF COc1cc(Nc2nc3c(s2)CCC[C@@H]3c2ccccc2)ccc1-c1cnc(C)o1 73161990 RDTBCENVWRYVSW-GOSISDBHSA-N 417.534 6.327 0 1 HKAF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccccc2F)C1 82151941 SDAFHWBAKIYPNW-IRXDYDNUSA-N 410.537 5.145 0 1 HKAF CCN(C)c1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccccc2)n1 82163397 GCPAQJIIMBKMAK-UHFFFAOYSA-N 402.523 5.399 0 1 HKAF Cc1cnc(-c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2ccccc2C)o1 82177640 GUAWHISYVHPSPV-UHFFFAOYSA-N 424.426 6.046 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccsc2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187271 YBELJBFKNKREHB-OAHLLOKOSA-N 409.534 5.395 0 1 HKAF CN1CCC[C@@H]1CCn1c(-c2ccsc2)nc2c(NC3CCCCCC3)ncnc21 82190688 PMQILDDOCYXHGX-LJQANCHMSA-N 424.618 5.174 0 1 HKAF COc1cccc([C@H]2CC[C@@H](N3CCN(c4cccc5ccccc45)CC3)CC2)c1 101225919 RBBSEEBITXSZAO-SAIGFBBZSA-N 400.566 5.697 0 1 HKAF COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC(C)C)cc1OC 104071175 DXGZTPCSTSULIG-OAQYLSRUSA-N 413.514 5.100 0 1 HKAF CC1(C)CCC(C)(C)c2cc(-c3cc(-c4ccc(C(=O)O)cc4)ccc3O)ccc21 137119411 RVWDVDCJZLLBAZ-UHFFFAOYSA-N 400.518 6.773 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc3occc3c2)n1 141955749 PHTCUAIDYDPIEJ-INIZCTEOSA-N 409.493 5.772 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCCC(=O)N1Cc1cccc(N2CCCCC2)c1 167596509 MRBGNGHITHZAPY-JOCHJYFZSA-N 422.569 5.338 0 1 HKAF O=C1OCCCCCCCCCCCCCCCCCCCCCCCC[C@@H]1O 207467673 NSVRRHNSGWFLQQ-VWLOTQADSA-N 410.683 7.876 0 1 HKAF CC1(C)C=CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@H]2CC[C@@H]2[C@H]3[C@H]4OC[C@@]3(CCC4(C)C)CC[C@]21C 238738694 NFRITKFNFKPRTO-DAXOPTEYSA-N 424.713 8.043 0 1 HKAF CCCN1N=C2/C(=C/c3ccc(Cl)cc3)CSC[C@@H]2[C@H]1c1ccc(Cl)cc1 299804434 AMICBVLQRJCZEG-BSUSYPBHSA-N 417.405 6.563 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(F)c(Br)c4)nc13)-c1ccccc1C2=O 586994694 CGAQGKZQSFYNSJ-UHFFFAOYSA-N 418.265 6.323 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC[C@H](N(C)Cc1ccccc1)C4)-c1ccccc1C2=O 586997598 TUERMIXHGRTZBH-FQEVSTJZSA-N 418.540 5.744 0 1 HKAF Cc1cccc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c12 587012733 FTILZHZZVIPEMW-UHFFFAOYSA-N 415.949 6.906 0 1 HKAF Cc1onc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1COc1ccccc1Cl 587063760 VOMHVGLJQNYFTK-UHFFFAOYSA-N 408.672 6.066 0 1 HKAF FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cc3ccccc3cc2[nH]1 587091990 QCDSUTRGGCPOJS-UHFFFAOYSA-N 411.305 5.738 0 1 HKAF CCOC(=O)[C@@H](Cc1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107079 OHFJJRUHRRSHSG-QFIPXVFZSA-N 407.469 5.336 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc5ncccc5c4[nH]3)cc2F)c1 587143341 CREHNMYUHGVKQR-UHFFFAOYSA-N 413.408 5.291 0 1 HKAF O=c1c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587171285 KWCMURBYZLNOIL-UHFFFAOYSA-N 421.325 5.057 0 1 HKAF Fc1ccc(I)cc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587183197 VQMNPMUSOWYNOG-UHFFFAOYSA-N 424.110 5.132 0 1 HKAF C[C@@]1(c2cccc3c2CCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348823 AULYWXOHKHHWKN-RSXGOPAZSA-N 402.465 5.684 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CC3(CCC3)Oc3ccccc32)[C@H]1c1ccc(F)cc1 587356423 JSWTTWUXSKAXMU-JYFHCDHNSA-N 416.448 5.491 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](c2ccccc2)C[C@@H]3C)c1 587364723 BRSAVKDZEVFTSG-RXVVDRJESA-N 419.524 7.490 0 1 HKAF CSc1ccc([C@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587379552 YSDYWCRAPAAYME-ZCYQVOJMSA-N 422.521 6.164 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cc(F)ccc3C(=O)O)cc1)CC2=O 587468447 VEIXOWUMUCPWJI-HSZRJFAPSA-N 420.436 5.556 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cc(F)ccc3C(=O)O)cc1)CC2=O 587468449 VEIXOWUMUCPWJI-QHCPKHFHSA-N 420.436 5.556 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1sc(N3CCCCC3)nc1Cl)CC2=O 587493439 HKWJMWHDCSCFOW-MRXNPFEDSA-N 406.935 5.151 0 1 HKAF O=C1C[C@](c2ccccc2)([C@H]2CCCc3ccccc32)Oc2c1ccc1c2CCCC1 587526154 RCCMMJLUVAGVIE-WNJJXGMVSA-N 408.541 6.546 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(C(F)(F)F)c1Cl 587550633 VPLOGIKZNPYTFN-UZLBHIALSA-N 420.770 5.767 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc2ccc(F)cc2s1 587655704 OQVHUXUAOCBSEL-UHFFFAOYSA-N 409.392 5.080 0 1 HKAF Cc1ccc([C@@H]2C[C@@H]2C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587655930 IIDWJWRCZXUCLR-HKUYNNGSSA-N 416.427 5.094 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(SC(F)F)cc2)N1 587716617 JTKKXBPUZZLTLN-MLCYQJTMSA-N 416.306 5.701 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)cc(Cl)cc2F)N1 587717880 GTTTUPQQAMLNPV-WNWIJWBNSA-N 404.657 5.318 0 1 HKAF CCn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(OC)ccc21 587759831 WAPDASJRHLUFAO-LAJNKCICSA-N 417.322 5.195 0 1 HKAF Cc1cc(C)c2nc(O)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587777476 IEHGTXQOBYETHF-ODXCJYRJSA-N 415.306 5.082 0 1 HKAF COc1ccc2cc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 587809053 PNSMFVZWOKEPCG-WHEQGISXSA-N 414.318 5.548 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3O)cc2)N1 587833369 NFGRKHOTZTXSID-DMZKTXOQSA-N 412.302 5.584 0 1 HKAF CC(C)c1cccc2c1OCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587833514 GPNZYODSGDIBFR-YEJXKQKISA-N 404.323 5.272 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccs3)cc2)N1 587850952 GWBULOOQCWPJAN-ODXCJYRJSA-N 402.332 5.940 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccc(C)cc2s1 587866511 FLTDQEREYSUDOX-UHFFFAOYSA-N 403.429 5.875 0 1 HKAF Cc1ccc(C)c(OCc2cccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)c2)c1 587874172 WHPRZUHTVCSCOX-UHFFFAOYSA-N 414.436 5.679 0 1 HKAF CC1(C)COC(c2cccc(-n3c(-c4cccs4)ccc3-c3cccs3)c2)=N1 587935557 NLYULUJYVDQGRL-UHFFFAOYSA-N 404.560 6.490 0 1 HKAF CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3n[nH]c(-c4ccccc4F)n3)c2C1 587944598 CZIPFZGCGMKNRS-UHFFFAOYSA-N 418.447 5.363 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4[nH]c(C(=O)CCc5ccccc5)nc4c3)o2)cc1 587952960 CHWJMEYNXVOYIC-UHFFFAOYSA-N 424.460 5.104 0 1 HKAF FC(F)(F)C(F)(F)c1cc2nc(Cc3ccccc3-c3ccccc3)[nH]c2cn1 587958705 HFGSWYSBLIRRJF-UHFFFAOYSA-N 403.354 5.870 0 1 HKAF Brc1cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2cc1Br 587964823 IMBYDGKYNSOHCA-UHFFFAOYSA-N 422.164 5.927 0 1 HKAF CC1(C)CCC(C)(C)c2cc3c(cc21)O[C@H]1CCCCC[C@@]31c1ccc(C(=O)O)cc1 653738895 LHBUMDDDJALQSH-RBJSKKJNSA-N 418.577 6.745 0 1 HKAF C[S@@](=O)c1ccc([C@H](OC2CCCCC2)c2cc3cccnc3[nH]2)cc1Cl 653807541 MGLPUJRDRZAPKW-CCLHPLFOSA-N 402.947 5.392 0 1 HKAF C[C@@]1(c2ccc(-c3ccccc3Cl)s2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962907873 JNASZZKBHJHBDA-LAUBAEHRSA-N 401.890 5.070 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(-c3ccccc3)n(-c3ccccc3)n2)N1 962950340 MNLAXGPSIOYVOX-NGOKVRLYSA-N 418.544 6.034 0 1 HKAF C[C@]1(c2ccc(Cl)s2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962953875 KGXGTFVTGKVEEL-KRWDZBQOSA-N 401.881 5.335 0 1 HKAF Cc1cc2cc([C@H]3NCC4(CCOCC4)c4cc(C(F)(F)F)ccc43)oc2cc1C 962954992 JXGNBZKBQBSEQQ-QFIPXVFZSA-N 415.455 5.809 0 1 HKAF Cc1ccncc1[C@@]1(c2cc(F)c(F)c(F)c2)c2c(F)cccc2C[C@H]2CCCN21 963106736 NAHJSYKODCQPSF-OSPHWJPCSA-N 412.430 5.259 0 1 HKAF Cc1cc2[nH]c([C@@H](O)CCc3ccccc3)c(CCc3ccccc3)c2cc1C(=O)O 1772619177 GBQBVRJDQQRBFF-VWLOTQADSA-N 413.517 5.626 0 1 HKAF CCn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2ccc(F)cc21 1857615615 NHXWBJFQTYKGOB-UHFFFAOYSA-N 419.422 5.234 0 1 HKAF Cc1nc2ccccc2n1CO[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 1648049 AUKATFAJZHBGOB-FQEVSTJZSA-N 401.297 5.264 0 1 HKAF CC(C)[C@@H](C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(F)cc1Cl 2480182 CVZYSYGPVFFACT-GFCCVEGCSA-N 404.844 5.715 0 1 HKAF COC(=O)C/C=C/[C@H](C)[C@H](OCc1cccc(-c2ccccc2)c1)C1CCCCC1 7992062 JNZGOIOYRDXORR-YVEBZSINSA-N 406.566 6.575 0 1 HKAF Cc1cccc(-c2ccc(/C=C/[C@@H]3[C@@H]4[C@@H](C)OC(=O)[C@@H]4C[C@@H]4CCCC[C@H]43)nc2)c1 13673177 YWAYPPWSFQSDJO-CFSRVRTPSA-N 401.550 6.074 0 1 HKAF CC(C)CC[C@@H]1CCCCCCc2c1oc(=O)c([C@H](c1ccccc1)C1CC1)c2O 27520311 NXQVAZCCMOUJJI-JTHBVZDNSA-N 408.582 6.914 0 1 HKAF CC(C)Cc1ccc(N2CC[C@@H](Oc3cccc4ccc(NCC5CC5)nc34)C2)cc1 28378402 QWVRCFBWSKTFJF-XMMPIXPASA-N 415.581 5.913 0 1 HKAF CCN1CN(CC)[C@@H](c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(Cl)cc1Cl 28765185 OCPPLUHBDZDJSE-OALUTQOASA-N 418.195 6.698 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC1[C@@H](O)CCC[C@H]1O 28952485 XZCGVHQBCITDBO-UJZXBQBYSA-N 418.618 5.950 0 1 HKAF CCN(CC)CCOc1ccc2ccccc2c1C(c1ccccc1)c1ccccc1 28955467 IQWUZPLVDMYWFB-UHFFFAOYSA-N 409.573 6.741 0 1 HKAF O=C(/C=C/c1ccccc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 29482255 YWVZCEVJTVXYGG-BUHFOSPRSA-N 415.581 5.347 0 1 HKAF CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)CO[C@@H](c1ccccc1)C1CC1 34294910 GNOTVFACNIFDMT-FTJBHMTQSA-N 403.566 5.279 0 1 HKAF Cc1ccc(NCCCOc2ccc(-c3nc4c(ccc5ccccc54)o3)cc2)cc1 40861071 UIRQFRRQCALQQW-UHFFFAOYSA-N 408.501 6.837 0 1 HKAF Cc1cc(NC(=O)c2cccs2)ccc1O[C@H]1CCN(Cc2ccc(F)cc2)C1 45189078 DWZHBZATRKNQPA-FQEVSTJZSA-N 410.514 5.101 0 1 HKAF CCOc1cc(CN2CCC(Nc3nc4ccc(Cl)cc4o3)CC2)ccc1Cl 49033351 HXNRUSVXJFFABV-UHFFFAOYSA-N 420.340 5.610 0 1 HKAF in-vitro CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccccc1-c1ccccc1 64512402 HKGCTVAEYSIICC-UHFFFAOYSA-N 421.953 5.948 0 1 HKAF C[C@@H](NCc1coc(-c2ccc(OC(F)(F)F)cc2)n1)c1cccc2ccccc12 72102140 ZVUUDRNIADAWJE-OAHLLOKOSA-N 412.411 6.244 0 1 HKAF Clc1ccc(Sc2oc(C3CCOCC3)nc2-c2ccc3[nH]ncc3c2)cc1 72317503 ZDAVWDMBYICBPW-UHFFFAOYSA-N 411.914 5.917 0 1 HKAF C[C@@H](CNc1cc(Oc2ccc(C(=O)c3ccccc3)cc2)ncn1)c1ccccc1 82068392 FRLPXURTEWOTHY-IBGZPJMESA-N 409.489 5.716 0 1 HKAF CCCCCn1c(-c2cccnc2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181212 IMFFZMBQYFSVEQ-UHFFFAOYSA-N 406.921 5.344 0 1 HKAF O=C(O)c1cn(Cc2ccc(Cl)cc2Cl)c2cc(C(F)(F)F)ccc2c1=O 96934455 COZQGKLZKKTMQS-UHFFFAOYSA-N 416.182 5.074 0 1 HKAF CC[C@@H](C)CC[C@@H](CC[C@@H](C)CCC[C@@H](C)CCCC(C)C)[C@@H](C)CCCC(C)C 102191834 ZYUQNRLZGGWDML-MZBLVXSRSA-N 422.826 10.940 0 1 HKAF CC(C)(C)OCCN(c1sc2ccccc2c1Cl)S(=O)(=O)c1ccccc1 115229904 BGCSQGGPXOBIGE-UHFFFAOYSA-N 423.987 5.565 0 1 HKAF CCCCN(CCCC)C[C@@H](O)c1cnc2c(-c3ccccc3)cccc2c1Cl 169338264 QEEFYFLUOKXILH-HSZRJFAPSA-N 410.989 6.491 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](OC(=O)c3cc(O)cc(O)c3)CCC[C@@]21C 169343679 HGRDLBNVPONHEI-NQXIECBCSA-N 402.575 6.302 0 1 HKAF COc1ccc2nc(C(=O)Nc3ccc(-c4ccccc4)cc3)c(C)c(C(=O)O)c2c1 169350345 ZAPPKMCYVLJQMH-UHFFFAOYSA-N 412.445 5.169 0 1 HKAF Cc1ccc([C@H]2C[C@H]3CC[C@H]([C@@H]2COC(c2ccccc2)c2ccccc2)N3C)cc1 195356274 PZCLLOMRKKUTII-BIYDSLDMSA-N 411.589 6.368 0 1 HKAF CCC(CC)c1cnc(-c2ccc(-c3ccc(OCC(C)(C)C(=O)O)cc3)nc2)[nH]1 218543830 PBSHICBUKWOEGD-UHFFFAOYSA-N 407.514 5.532 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]21C 255227030 LMYZQUNLYGJIHI-ZVHDOSFISA-N 400.691 7.635 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC[C@]12C 257001228 ZQIOPEXWVBIZAV-YHBAJQOXSA-N 414.762 9.524 0 1 HKAF c1ccc(C2=NO[C@@H](c3ccc(OCc4csc(-c5ccccc5)n4)cc3)C2)cc1 299852186 OPNCECIYRCTISW-XMMPIXPASA-N 412.514 6.255 0 1 HKAF Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ccc(C(F)(F)F)cn1 473108833 ORYMBVAWNZPCPG-UHFFFAOYSA-N 413.346 5.452 0 1 HKAF COc1cccc(CN(C)Cc2ccc(COc3ccc4ccc(=O)oc4c3)cc2)c1 473129031 DWUCGOUEGPAVBY-UHFFFAOYSA-N 415.489 5.013 0 1 HKAF c1ccc2c(c1)c1cnccc1n2CCCCCCn1c2ccccc2c2cnccc21 474609261 OPFRBMAAOMJVSP-UHFFFAOYSA-N 418.544 6.953 0 1 HKAF Cc1c(Br)ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c12 586900825 NHLZEMJLKWEQFK-UHFFFAOYSA-N 411.255 5.285 0 1 HKAF NC(=O)c1cccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587073669 MYQKRQDCCSXKJB-OBGWFSINSA-N 401.897 5.489 0 1 HKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587111650 AAAGDULZYYHUPY-SECBINFHSA-N 406.757 6.600 0 1 HKAF O=C(c1nc2c(F)c(F)c(Br)cc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133259 NGVXVXXTVBIHME-UHFFFAOYSA-N 424.003 5.281 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4ccc(Br)cc4[nH]3)ccc2F)cc1 587139776 VYBQDPYABIEKCS-UHFFFAOYSA-N 409.258 6.001 0 1 HKAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1F 587150404 DFIYBWOPBNERRC-NXEZZACHSA-N 417.175 5.894 0 1 HKAF CCCOc1cc2nc([C@@H](CC)Oc3ccccc3F)[nH]c2cc1Br 587154282 BPWPYLJCEJJFRT-MRXNPFEDSA-N 407.283 5.783 0 1 HKAF Cc1c(Cl)ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587157690 BFXJJODJNOAFAM-FQEVSTJZSA-N 401.268 6.486 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3c(Cl)cnc(Cl)c3[nH]2)c(Cl)c1 587158149 GCNHQPDBJUMAIK-QGZVFWFLSA-N 422.674 6.226 0 1 HKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587242280 PHDXCZMUCVYDRB-UHFFFAOYSA-N 413.521 6.184 0 1 HKAF COC(=O)c1cccc2c1Cc1c-2nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587362171 FOGSOXHPNYEEJF-UHFFFAOYSA-N 421.452 6.014 0 1 HKAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc5ccccc5c41)[C@@H](C2)C3=O 587446905 HVSSXQCWHVTQSF-DWACAAAGSA-N 418.448 5.084 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccnc3c(Br)cccc13)CC2=O 587461769 YYJYEWVBSOJCMT-IBGZPJMESA-N 412.283 5.362 0 1 HKAF COC1=C(c2ccccc2)Oc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587532121 NABYFYBZPLIXPQ-NDEPHWFRSA-N 424.496 5.834 0 1 HKAF O=C1C[C@@](c2cccs2)(c2cccc3ccccc23)Oc2c1ccc1c2CCCC1 587533029 SZZRSIWHWDALSY-MHZLTWQESA-N 410.538 6.689 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ccc2cccnc12 587549978 UNBJFYWARHJTCS-AUSIDOKSSA-N 403.821 5.297 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccc(Cl)c1F)C1CC1 587570334 VJLHNDMNUDXLPB-XXBNENTESA-N 410.828 5.452 0 1 HKAF Cn1c2c(c3ccccc31)[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576515 JGHGVWQMBUQUCG-OZXSUGGESA-N 411.457 5.077 0 1 HKAF COc1cc(-c2ccccc2)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599684 HJMLWKXGBNDIRG-IGKIAQTJSA-N 424.452 5.771 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cc(F)c(Cl)c2F)N1 587720820 OERPEHHREVOZPH-XABCROFNSA-N 408.620 5.283 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccc(F)cc3)on2)N1 587730954 GEZWYMYRSCXVQF-DGIBIBHMSA-N 405.242 5.006 0 1 HKAF COc1cccc(OCc2ccc(-c3nc4c(Cl)nc(Cl)cc4[nH]3)cc2)c1 587780852 KIHUKXYNKAWXOE-UHFFFAOYSA-N 400.265 5.519 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(=O)OC(C)(C)C)c2)N1 587790649 HAPQMQALJKUECI-BLVKFPJESA-N 420.322 5.167 0 1 HKAF CCc1cccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587813057 ANMQRPKZHWYGOK-VOIUYBSRSA-N 424.357 5.977 0 1 HKAF CSc1scc2c1[C@@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587852148 KMKRYIVABNEULI-YPMLDQLKSA-N 412.393 5.486 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N)cc2)(c2cccs2)N1 587856024 XLCBXCYBKZVNQN-MPBGBICISA-N 417.347 5.058 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc2cccc(O)c2n1 587859784 INXLVCQGBAUHQD-UHFFFAOYSA-N 400.265 5.499 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(Oc2ccccc2)cc1 587865812 KDFUBNLVKJQBIO-UHFFFAOYSA-N 424.422 6.749 0 1 HKAF CC(C)(C)c1ccc(Nc2ncccc2-c2nc(-c3cc(F)ccc3F)cs2)cc1 587922216 NDPLJOVWUNMGKF-UHFFFAOYSA-N 421.516 7.191 0 1 HKAF CCCCc1ccc(-n2c(OC)cc(-c3ccccc3)c2OC)c(Br)c1 587936946 NVDHJWOPBWEEJQ-UHFFFAOYSA-N 414.343 6.267 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c(C)ccnc2[nH]1 587958748 HTWFRIYBZHBVNT-UKFPHXRLSA-N 417.641 8.121 0 1 HKAF COc1cc2c(cc1OC)[C@@](CCc1ccc(C)c(C)c1)(C1CCCC1)N(C)[C@H](C)C2 962635233 RGQJDBQMIIIIGO-LYZGTLIUSA-N 421.625 6.215 0 1 HKAF COc1ccc([C@@]2(c3cccc(C)c3)c3ccc(F)cc3C[C@@H]3CCCN32)cc1C 963096257 MVNDZIZETQKVMC-IGKIAQTJSA-N 401.525 5.764 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]2(c1ccc(C2OCCO2)cc1)C1CCCCC1 963113609 UYJOIJPNKYBITK-IGKIAQTJSA-N 421.556 5.716 0 1 HKAF C[C@]1(CCCCCCC(=O)O)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963816524 CYJCDASPGKHSEZ-AREMUKBSSA-N 420.553 5.533 0 1 HKAF C[C@@H]1CN(c2cc(Nc3nccc(C(F)(F)F)n3)cc(-c3ccccc3)c2)CCO1 1772571307 MJEPJGZCXVWMFV-OAHLLOKOSA-N 414.431 5.131 0 1 HKAF COc1cc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(C)=O)cc(Cl)c1OC 1772609191 UFZRHSNHCGRLQR-OAQYLSRUSA-N 408.885 5.208 0 1 HKAF CCOP(=O)(OCC)[C@@H](N(O[C@@H](C)c1nccn1C)C(C)(C)C)C(C)(C)C 1857542150 INXHFCOUUUGHJG-DOTOQJQBSA-N 403.504 5.152 0 1 HKAF COc1ccc(-c2nc(-c3ccc(F)cc3)n3c2-c2[nH]c4ccccc4c2CC3)cc1 1857550333 JPYOJFFXJRRXKU-UHFFFAOYSA-N 409.464 6.069 0 1 HKAF O=C(c1ccccc1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc(Cl)c(Cl)c1 1857576828 RSDQYWPOMZZGPK-HSZRJFAPSA-N 421.327 6.263 0 1 HKAF Oc1cccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c2Cc2c(O)cccc2-3)c1 1857587125 YCPVXPLKTZMDPA-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF CC(C)(C)c1n[nH]c2c1[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1)C2=O 1857588400 HCPYEOGIEJRAEF-GOSISDBHSA-N 400.309 5.764 0 1 HKAF CC1=C(CC[C@H](C)CO)O[C@@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]12 2356539988 IQDKIMJGXXRZGR-DYMAPKDVSA-N 416.646 5.698 0 1 HKAF CC(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@@]5(C)CCCC(C)(C)[C@H]5CC[C@@]43C)[C@H]12 2356641368 NKMDIWKRKQFYPH-IWSSGQGTSA-N 412.746 9.134 0 1 HKAF O[C@H](c1cccc(CN2CCCCC2)c1)c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 61908585 CAVRLQXVONBEOZ-OAQYLSRUSA-N 415.459 5.163 0 3 HKAF Brc1ccc(Cn2ccc3nc(CSc4ccccc4)nc-3c2)cc1 3937411 MTWGESHKSOCJSY-UHFFFAOYSA-N 410.340 5.486 0 1 HKAF COc1cc(O)c(-c2ccc(OC)c3c(OC)cc(C)cc23)c2c1[C@@H](C)N(C)[C@@H](C)C2 13359147 RNLKCMIGQLHEKX-JKSUJKDBSA-N 421.537 5.484 0 1 HKAF biogenic CC1(C)OC(=S)Nc2c(Br)cc(-c3ccc(Cl)c(F)c3)cc21 13488883 LGCLNWPGTFJGOQ-UHFFFAOYSA-N 400.700 5.871 0 1 HKAF CCc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1 13673403 ZOFLBKLKRCZRFS-UHFFFAOYSA-N 403.482 5.826 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C/C(=N\O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 26577787 OHVJEOXDVIFIPO-GSMCZDKESA-N 413.646 7.037 0 1 HKAF Cc1cc(-c2cc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)[nH]n2)c(C)c(C)c1O 26658071 SIVRBWLQUZACHP-UHFFFAOYSA-N 406.570 6.675 0 1 HKAF CCC(CC)(CC(=O)Nc1cccc(COc2ccc3ccccc3n2)c1)C(=O)O 28099098 CJPUANZFWNBHKR-UHFFFAOYSA-N 406.482 5.033 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC[C@H]1COC(C)(C)O1 28710875 CZMHRLSQLJOUTI-FBDUAZINSA-N 417.634 6.400 0 1 HKAF Cc1ccc(F)cc1C(C)(C)C[C@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F 34633689 JKPOACVGQYPLBU-QFIPXVFZSA-N 421.434 5.110 0 1 HKAF O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1-c1cc2ccccc2[nH]1 34866357 VBDKDMMEVSHZJM-UHFFFAOYSA-N 411.383 6.378 0 1 HKAF CC(C)c1cc(Oc2c(Br)cc(N)cc2Br)ccc1O 38877613 FFSNAQRPDKMGAD-UHFFFAOYSA-N 401.098 5.415 0 1 HKAF COC(=O)c1ccc(NCc2cncn2Cc2ccccc2C)cc1-c1ccccc1 40972435 HPYBMRCQKDLFSA-UHFFFAOYSA-N 411.505 5.306 0 1 HKAF CCCCc1ccc(-c2ccc3c4c([nH]c3c2F)-c2cc(N)c(C(=O)O)cc2C4)cc1 40976291 RXJATDBFBSFFLQ-UHFFFAOYSA-N 414.480 6.168 0 1 HKAF O=C(Nc1ccc(OC2CCN(Cc3ccsc3)CC2)c(Cl)c1)c1ccco1 45210648 GOVVGAHQPBREQA-UHFFFAOYSA-N 416.930 5.290 0 1 HKAF O=C(O)Cc1sc(C(c2ccccc2)c2ccccc2)nc1-c1ccc(F)c(F)c1 45338935 VZONOYMJTLNJGC-UHFFFAOYSA-N 421.468 5.896 0 1 HKAF CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1nc2ccccc2s1 58494058 SUVGGIIPTFDMFF-MOPGFXCFSA-N 413.333 6.279 0 1 HKAF c1ccc2c(NCCCCCCCCNCc3ccncc3)c3c(nc2c1)CCCC3 71295450 AHEFUMNZCIRKDC-UHFFFAOYSA-N 416.613 6.051 0 1 HKAF Cn1c(CN2CC[C@@H](c3ccc(C(F)(F)F)cc3)C(C)(C)C2)nc2ncccc21 71330235 KHCXQMDIHQPUSZ-KRWDZBQOSA-N 402.464 5.003 0 1 HKAF O=c1c(-c2ccc(F)cc2)c(Br)cnn1Cc1cccc2ccccc12 73407348 KPCRXUUKEGVAEE-UHFFFAOYSA-N 409.258 5.013 0 1 HKAF Cc1cccc(-c2nc(NCCc3ccc(Cl)cc3)ncc2-c2nc(C)c(C)o2)c1 82173938 DVCWUYOQIOXHNC-UHFFFAOYSA-N 418.928 6.032 0 1 HKAF Cc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2C)o1 82221573 QCNGKIHVIWXGMX-KJNZLNQQSA-N 402.542 5.898 0 1 HKAF COc1cc(CCC(=O)Nc2ccccc2)cc(-c2ccc3cc(OC)ccc3c2)c1 96174249 WZPVBSNFRFOZSH-UHFFFAOYSA-N 411.501 6.095 0 1 HKAF COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccc4ccccc4c32)cc1OC 103866353 SOXCQTOJXSHJJF-DEOSSOPVSA-N 413.517 6.707 0 1 HKAF OC1=C2C(=Nc3c(ccc4ncccc34)[C@@H]2c2cccc(O)c2)C[C@@H](c2ccccc2)C1 104052479 UBLHFOLGJWTXGU-BCHFMIIMSA-N 418.496 6.548 0 1 HKAF c1ccc(CN2[C@@H](c3ccccc3)C3=C(NO[C@@H]3c3ccco3)[C@@H]3CCCC[C@H]32)cc1 169356711 DGPSOURKQBTBED-PDMAMLTQSA-N 412.533 5.926 0 1 HKAF Cc1cccc(C)c1N1C[C@H](C(=O)Nc2cc(C3CC3)cc(C(F)(F)F)c2)CC1=O 205761935 VIFSFFNTNVNAJW-QGZVFWFLSA-N 416.443 5.191 0 1 HKAF CC(C)C[C@@H](O)[C@H](O)[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 257415138 FHSVMYDBGPVTTJ-ILLRCUKRSA-N 420.678 5.410 0 1 HKAF endogenous,in-man O=C(N[C@H]1CC[C@H](CCN2CCCc3ccccc3C2)CC1)c1cc2ccccc2[nH]1 473131833 PLBMMIOYNDISOL-LSNLESRRSA-N 415.581 5.295 0 1 HKAF Cc1c(CSc2ccc(Cl)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586994605 YOTLHXFQLZANPP-UHFFFAOYSA-N 417.917 6.406 0 1 HKAF COc1cccc(-c2ccc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c(Cl)c2)c1 587052295 MTMKBYJSOLVCHH-UHFFFAOYSA-N 404.684 6.261 0 1 HKAF Clc1cccc(COc2ccc(-c3nc4c(Br)cncc4[nH]3)cc2)c1 587070434 HAVHBIJSXWMEAB-UHFFFAOYSA-N 414.690 5.620 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(Cl)ccnc2[nH]1)c1cccc(Cl)c1 587072437 WOVIKPUWOLNSMB-AWEZNQCLSA-N 407.301 5.073 0 1 HKAF FC(F)(F)c1c(Br)ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c12 587084362 KJPMFELRPMOHFB-UHFFFAOYSA-N 416.628 5.473 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc5c(c4)CCC(=O)N5C)nc13)-c1ccccc1C2=O 587099057 ZHRVTQIGPAEUQH-UHFFFAOYSA-N 404.469 5.331 0 1 HKAF CCCCC[C@H]1c2nc3c(C)ccc4c3c(c2C[C@@H]1CC(=O)O)-c1ccccc1C4=O 587100600 LXLFJLDQYDDJFX-IAGOWNOFSA-N 413.517 6.066 0 1 HKAF C[C@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1ccccc1C(F)(F)F 587103607 LOXPYOQIJJYVKZ-AWEZNQCLSA-N 403.403 6.617 0 1 HKAF CC(C)(C)OC(=O)NC[C@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587104290 PQWDHAXREISTLG-OAHLLOKOSA-N 414.505 5.391 0 1 HKAF FC(F)(F)c1cc(Oc2ccc(-c3nc4ccccc4[nH]3)cc2)cc(C(F)(F)F)c1 587110080 MSFAGMKVYCVBRR-UHFFFAOYSA-N 422.328 7.060 0 1 HKAF CC(C)(C)c1ccc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc2n1 587112069 JUMUSUQWKHGAKA-UHFFFAOYSA-N 411.427 6.734 0 1 HKAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)cc2N1 587127122 RXCVKLWWWLFFFY-KSBSHMNSSA-N 423.748 5.406 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c(Cl)c2)cc1F 587145157 KBGYGAXGEPHCAQ-UHFFFAOYSA-N 406.675 6.700 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cnc4ccccc4c3[nH]2)c(Cl)c1 587158101 FJMYXOJFJLDWQS-QFIPXVFZSA-N 403.844 6.072 0 1 HKAF O=C1c2ccc(O)cc2O[C@](Cc2ccccc2F)(C2CC2)[C@H]1c1ccc(F)cc1 587331861 KFTOBGZVJCIQTC-UKILVPOCSA-N 406.428 5.421 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CC[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1ccc(F)cc1 587332831 KBRQKEHWBGGZPI-HGMMTPDKSA-N 406.428 5.736 0 1 HKAF O=C1c2c(sc3c2CCCC3)N/C(=C\Cl)N1Cc1cc2c3c(cccc3n1)CC2 587361659 XZTKPMJMTJLCCQ-YBFXNURJSA-N 421.953 5.379 0 1 HKAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc(F)cc1 587383501 CLKBRJRSGMNDES-QHCPKHFHSA-N 421.468 5.401 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1nc(-c4ccc(Cl)cc4)n4ccccc14)[C@@H](C2)C3=O 587422627 RDBIBIBSTMYJAY-SBUREZEXSA-N 416.864 5.152 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1Cl)(c1ccccc1)CC2=O 587462566 PADGWOVNIHKKIZ-RUZDIDTESA-N 406.909 6.102 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3ccccc3)n(-c3ccccc3)n1)CC2=O 587479420 ZKHGTQRBSNCJHK-AREMUKBSSA-N 424.500 5.904 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCCC(C)C)c(OC)c1)CC2=O 587483657 RPARARGNVQVLIP-RUZDIDTESA-N 412.526 5.659 0 1 HKAF O=C1C[C@]2(CCCCc3cc(Br)ccc32)Oc2c1ccc1c2CCCC1 587495782 FOSXMGLDERKCRA-QHCPKHFHSA-N 411.339 5.915 0 1 HKAF COc1ccc([C@@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587503922 HKBCGALFNCXXNP-AREMUKBSSA-N 418.920 6.136 0 1 HKAF O=C1C[C@@H](c2c(-c3ccc(F)cc3)nc3ncccn23)Oc2c1ccc1c2CCCC1 587507725 NXFACJBQKMOSGG-NRFANRHFSA-N 413.452 5.121 0 1 HKAF O=C1C[C@@H](c2ccc(-c3cccc4ccccc34)cc2)Oc2c1ccc1c2CCCC1 587521352 BVAVVXGLWXJGJZ-NDEPHWFRSA-N 404.509 7.092 0 1 HKAF O=C(O)c1ccccc1[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587531550 LUJXUKTXLCVSED-DEOSSOPVSA-N 404.487 5.234 0 1 HKAF CCc1ccc(-c2cnc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 587585918 ILKLYSVZGTWQTA-ZJSXRUAMSA-N 413.429 5.313 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1cc(Cl)cc(Cl)c1 587626644 UEJFYAJBIKBPRH-UHFFFAOYSA-N 412.160 7.488 0 1 HKAF O=C(c1c(-c2ccc(Br)cc2)[nH]c2ccc(F)c(Cl)c12)C(F)(F)F 587628548 NQIPYUIVSOATFE-UHFFFAOYSA-N 420.587 6.135 0 1 HKAF O=C(CC(=O)Oc1c(-c2ccccc2)[nH]c2cccc(F)c12)Nc1ccc(Cl)cc1 587634248 WAEIHXRKKRMUGM-UHFFFAOYSA-N 422.843 5.562 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2c1 587640662 HYTRPDPHAVLNJY-NSHDSACASA-N 408.851 6.914 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc(Cl)c2Cl)N1 587697583 WUDVFRDDIHRIJK-GYKQLYQFSA-N 423.540 6.172 0 1 HKAF COc1ccc(C(F)(F)F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587712051 NEKFVUHGRQTSBK-XYZCENFISA-N 418.228 5.239 0 1 HKAF COc1ccc(C[C@H](C)[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587726165 VLDGXJKVILSNDI-ZBUHCNDUSA-N 410.302 5.190 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1cc(F)ccc12 587729702 HMVQUWZENXKSEF-VERVWZFWSA-N 412.277 5.534 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H](Cc3ccccc3)C2)N1 587816968 GMQPZTYOXZEMAC-ULYRPOKDSA-N 402.351 5.751 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2C2CCCCC2)N1 587821158 SRQUXPNWIIUKJG-PEBXRYMYSA-N 402.351 6.260 0 1 HKAF Cc1ccccc1-c1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587853030 KKACMBDRWQPSFP-BUXKBTBVSA-N 417.347 5.644 0 1 HKAF Clc1ccc(CCCn2c(-c3cccs3)ccc2-c2cccs2)cc1Cl 587943130 MWXZCIWEZZRGMX-UHFFFAOYSA-N 418.414 7.885 0 1 HKAF COc1cccc(-c2cc3c(NC4CCN(C(=O)OC(C)(C)C)CC4)nccc3[nH]2)c1 618009780 IDANSFLYTZGLTB-UHFFFAOYSA-N 422.529 5.050 0 1 HKAF CCCCCCNC(=O)Oc1cccc(-c2ccc([C@@H](C)C(=O)O)cc2Cl)c1 653717863 RIPJZAAQKYNYFH-OAHLLOKOSA-N 403.906 5.864 0 1 HKAF C[C@@H](COc1c(Cl)cccc1Cl)NCc1ccc2c(c1)C(C)(C)N([O])C2(C)C 653755967 MKSATJUTOAXQRT-AWEZNQCLSA-N 422.376 5.682 0 1 HKAF C[C@H](Oc1nc(C(Cl)(Cl)Cl)nc2ccccc12)c1ccc(Cl)cc1 653897403 CNSWTXHNXWJQGL-JTQLQIEISA-N 402.108 6.250 0 1 HKAF Cc1cccc([C@]2(c3ccc(CN4CCC4)cc3)NCCc3ccc(F)c(C)c32)c1 962091304 JVVSCUUVZWNFSD-MHZLTWQESA-N 400.541 5.086 0 1 HKAF Clc1cccc(Oc2ccccc2)c1[C@H]1NCCc2cccc(-c3ccccc3)c21 962671828 XEZHBKPFDHEVPB-MHZLTWQESA-N 411.932 7.034 0 1 HKAF Cc1ccc([C@]2(CCc3cccc(C)c3C)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962911030 YEXMXPFJDDXKAY-IGKIAQTJSA-N 417.524 5.226 0 1 HKAF CC(C)(C)c1ccc([C@]2(c3cncc4ccccc34)NCCc3ccc(O)cc32)cc1 963340053 FKVFVVCJJMAAMV-NDEPHWFRSA-N 408.545 5.676 0 1 HKAF CC(C)CCN1CC2=C(C1=O)[C@]1(C)CC[C@H]3[C@@](C)(C(=O)O)CCC[C@]3(C)[C@H]1CC2 1772624596 YBFBLICDGYTHKZ-IKUZIKMWSA-N 401.591 5.279 0 1 HKAF Clc1ccc(Cn2cc(CSc3nc4cc(Cl)ccc4s3)nn2)cc1 1857542143 HQTHOWYBLXCPSV-UHFFFAOYSA-N 407.351 5.535 0 1 HKAF O=C(CCCn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1cccc(Cl)c1 1857552457 ZOUVKUQPPAJNCP-UHFFFAOYSA-N 417.896 5.136 0 1 HKAF Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F 1857612107 GEPUWJGKAOGNRH-UHFFFAOYSA-N 410.355 5.657 0 1 HKAF CC(C)CCc1ccccc1NCc1ccc(C(=O)Nc2nc(CCO)cs2)cc1 1857774024 PVBMOKHQFZYWAU-UHFFFAOYSA-N 423.582 5.131 0 1 HKAF COc1ccc([C@@](C)(O)c2nc(-c3ccc(C(F)(F)F)cc3)nc3ccccc23)cc1 1911585460 PDJGVEPPROBLRH-HSZRJFAPSA-N 424.422 5.580 0 1 HKAF CC(C)(O)C=Cc1c2c(c3oc(-c4ccccc4)cc(=O)c3c1O)C=CC(C)(C)O2 2356462015 BXQGCKPPJCXQCL-UHFFFAOYSA-N 404.462 5.134 0 1 HKAF C[C@@H]1[C@H]2[C@](C)(CC[C@H]1C)CC[C@]13C[C@]21CC[C@@H]1[C@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@]13C 2356864526 VVSOUTKITCBWGW-WDRBPEJKSA-N 424.713 8.067 0 1 HKAF CC(C)C[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1ccc(Cl)cc1c2=O 61921321 ACZBXWQFWUWKSL-HXUWFJFHSA-N 417.896 5.023 0 3 HKAF Cc1ccc(-c2nc3ccc(Cl)cn3c2Cc2ccccc2C(F)(F)F)cc1 72138247 SLVYYNICMDZAAI-UHFFFAOYSA-N 400.831 6.573 0 3 HKAF O=C1[C@H](n2ccc3ccccc32)c2cc(Cl)ccc2N1Cc1ccc(Cl)nc1 206027514 CENOTKKUGNCKLS-OAQYLSRUSA-N 408.288 5.479 0 3 HKAF C[C@H](CO)CC[C@@H]1O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2[C@@H]1C 263590647 FYYDHQYCPMWNIL-CPVFPUMNSA-N 416.646 5.348 0 3 HKAF Clc1ccc([C@@]2(Cn3ccnc3)OCc3c(Cl)cc(Cl)cc32)c(Cl)c1 3794687 XHEXDWWNNBFRFC-GOSISDBHSA-N 414.119 5.971 0 1 HKAF CS(=O)(=O)c1ccc(-c2sc(-c3cccs3)nc2-c2ccc(F)cc2)cc1 3814559 ISMZMNIRFHOTII-UHFFFAOYSA-N 415.536 5.748 0 1 HKAF CC(C)c1cc(C(C)C)c([P@]2(=O)C[C@@H]3C(Cl)(Cl)[C@]3(C)C2)c(C(C)C)c1 5963378 PKOMNWPTRSMZCM-NNPDTBDGSA-N 401.358 6.869 0 1 HKAF O=C1Nc2cccc3c2[C@@]1(CCCCN1CC=C(c2ccc(F)cc2)CC1)CCC3 13473711 WFTIQBHOHOELTR-AREMUKBSSA-N 404.529 5.312 0 1 HKAF COc1ccc(-c2cc(Oc3ccc(F)cc3F)nnc2-c2ccc(OC)cc2)cc1 26467375 LCGAAMANEGSJDS-UHFFFAOYSA-N 420.415 5.898 0 1 HKAF CCCCN[C@H](C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C 26818047 XEIYOWXTZAUMKM-JEEJBDTCSA-N 403.695 6.421 0 1 HKAF COc1ccc([C@@H](c2ccc(OCCN3CCCCCC3)cc2)c2cccs2)cc1 29130697 NYUVONLKHDORDU-SANMLTNESA-N 421.606 6.192 0 1 HKAF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@@H]4CC[C@@]3(CC[C@]21C)C(=O)O4 33754040 DUENBZLSJKSMFL-XCMIPZGMSA-N 414.630 5.738 0 1 HKAF CCC(=O)Oc1cccc(C[C@@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)c1 39233858 GNNZNPHKBLGJAL-SANMLTNESA-N 420.597 5.236 0 1 HKAF O=C(O)c1ccc(C2=NO[C@@H](c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)C2)cc1 40405865 IZBQSQPUQNPIOI-LWHMVEIFSA-N 417.505 5.424 0 1 HKAF O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccccc1C(=O)NC1CCCCC1 45192674 LUFZBVFFXVMIHZ-UHFFFAOYSA-N 406.313 5.700 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4ccc(CNCc5ccccc5)cc4)s3)nc12 45201099 WKMPAVUYLRLANN-UHFFFAOYSA-N 409.558 6.557 0 1 HKAF CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)Nc1ccccc1C(F)(F)F 58603160 HMSKUYGSVCQAGJ-QGZVFWFLSA-N 406.404 5.010 0 1 HKAF FC(F)(F)Oc1ccccc1CNCc1coc(-c2ccc(Cl)cc2Cl)n1 72182524 YLPYXWROGJVENY-UHFFFAOYSA-N 417.214 5.837 0 1 HKAF COc1ccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccccc3)n2)cc1 82163366 JPXDLIGQWRZLHZ-UHFFFAOYSA-N 400.482 5.079 0 1 HKAF CCCCCn1c(-c2cccs2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188451 OVWSAHOCOSHZKQ-QGZVFWFLSA-N 405.571 5.961 0 1 HKAF CCCCCN(C(=O)c1ccc(Cl)cc1)c1nnc(-c2cccc(F)c2)s1 84632592 PSMXYQGGVJFTPF-UHFFFAOYSA-N 403.910 5.835 0 1 HKAF CC(C)Nc1c(-c2nccs2)cnc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc12 95605057 XNJOGSFWNTUMCN-UHFFFAOYSA-N 423.563 5.249 0 1 HKAF Cn1c(S(=O)(=O)[C@H](F)c2ccc(F)cc2)nc(-c2ccccc2)c1-c1ccccc1 96914888 BQXNVVKJSSHWSU-QFIPXVFZSA-N 424.472 5.335 0 1 HKAF Cc1c(COc2ccc(F)cc2)oc2cccc(OCCNCc3cccnc3)c12 98084824 OCLYYUXFNPJLSE-UHFFFAOYSA-N 406.457 5.023 0 1 HKAF CC[C@H](C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1cccs1 100703433 MOCIKDHQSOTPNI-MEDUHNTESA-N 415.584 5.984 0 1 HKAF Cc1cccc2cc([C@@H]3CC(c4ccc(Br)s4)=NN3)c(Cl)nc12 103213673 HTIBSUWNNLHKBE-LBPRGKRZSA-N 406.736 5.459 0 1 HKAF Cc1c(N(Cc2ccc(F)c(C(F)(F)F)c2)S(C)(=O)=O)sc2ccccc12 115232137 JYPVCONNRHMKTB-UHFFFAOYSA-N 417.449 5.334 0 1 HKAF CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CC(=O)NCC[S@@](C)=O 201786432 XQVRPWAJMCYTNW-RRHHDSEZSA-N 401.701 5.946 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 253951251 JQMQKOQOLPGBBE-VCTXDSBFSA-N 402.663 6.648 0 1 HKAF CCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1cccc(Cl)c1Cl 474609366 QGYUROHVTLOJAG-UHFFFAOYSA-N 405.285 5.346 0 1 HKAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 586892283 WJUSYTJEMXLZNR-BFUOFWGJSA-N 403.320 5.258 0 1 HKAF Cc1cc(Cl)cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12 586960378 PHSFXCLGUNPIRX-QHCPKHFHSA-N 411.752 5.028 0 1 HKAF C[C@H](SCc1ccccc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586963885 RPBQPSLIVHLWMU-JTQLQIEISA-N 415.278 6.339 0 1 HKAF Cc1ccc(-c2nnc(SCc3nc4cc(Cl)c(Cl)cc4[nH]3)n2C)cc1 586965738 XGWKUIVHMIJGMN-UHFFFAOYSA-N 404.326 5.266 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cncc(Br)c2[nH]1 587014993 VHNRUDVSWIZZIA-UHFFFAOYSA-N 405.708 5.473 0 1 HKAF Brc1cc2[nH]c(/C=C\c3ccsc3)nc2cc1OCc1ccccc1 587025410 KJBQBMHKDSHBJU-SREVYHEPSA-N 411.324 6.136 0 1 HKAF COC(=O)c1ccc2nc(-c3c(C)cccc3-c3ccc(Cl)cc3)[nH]c2c1OC 587073721 KNEMTRUEJKSLMT-UHFFFAOYSA-N 406.869 5.654 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(CC)cc4[nH]3)c(Cl)cc12 587078431 QOTDXSHMPDKKIO-CYBMUJFWSA-N 410.901 5.978 0 1 HKAF CC(C)Oc1cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2cc1Br 587084096 GESRKRYAZFGGST-UHFFFAOYSA-N 406.711 5.241 0 1 HKAF FC(F)(F)Oc1ccc2c(-c3nc4cc(SC(F)(F)F)ccc4[nH]3)n[nH]c2c1 587126998 JXYGUCQGUROBHL-UHFFFAOYSA-N 418.322 5.617 0 1 HKAF O=C(O)c1ccc(-c2cc(-c3nc4cc5c(cc4[nH]3)OCCCO5)ccc2F)cc1F 587138976 YJWDEHSOYZIVQH-UHFFFAOYSA-N 422.387 5.035 0 1 HKAF Fc1ccccc1CCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587150463 QXQYNEAPLPNSNZ-UHFFFAOYSA-N 403.173 5.148 0 1 HKAF CCc1c(-c2cc3ccc(O)cc3oc2=O)nc2cccc3c2c1-c1ccccc1C3=O 587209944 YDGCFJJGMUXINX-UHFFFAOYSA-N 419.436 5.488 0 1 HKAF Cc1ccc2oc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2n1 587345739 KIYAIHSPFJXHPC-UPVQGACJSA-N 403.409 5.255 0 1 HKAF COc1cccc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)oc12 587357249 TZNGGODEQSYRNY-DHLKQENFSA-N 418.420 5.560 0 1 HKAF O=C1c2ccc(O)cc2OC2(c3ccsc3-c3sccc32)[C@H]1c1ccc(F)cc1 587370429 BGHGLISYNAJNJL-IBGZPJMESA-N 420.486 5.937 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCc3c(Br)cc(Cl)cc31)CC2=O 587457938 DQPTYBADYAYNSR-HXUWFJFHSA-N 421.718 5.568 0 1 HKAF C[C@@]1(c2c[nH]c3cc(Br)ccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587495967 HDZFDTUZWZIQKS-QFIPXVFZSA-N 410.311 5.690 0 1 HKAF O=C1C[C@@H](c2cc(Cl)c(=O)n(Cc3ccccc3)c2)Oc2c1ccc1c2CCCC1 587500530 POMKGAJYKSZTOG-QHCPKHFHSA-N 419.908 5.135 0 1 HKAF O=C1C[C@@H](c2c(F)cc(Br)c(F)c2F)Oc2c1ccc1c2CCCC1 587504474 JCLZBRZCJSMDQX-HNNXBMFYSA-N 411.217 5.452 0 1 HKAF CCOC(=O)c1ccc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587510940 CJRLRTJWCKMHSO-XMMPIXPASA-N 415.489 5.239 0 1 HKAF COCCOCCCc1ccccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525315 VETIHGSDRAJJSC-AREMUKBSSA-N 408.538 5.042 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCCC2)cc1 587598092 WCWZRFMMBIPIJV-WIOPSUGQSA-N 401.462 5.085 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OC1CCCC1 587599396 FUKGBBFHJJAPCW-RDGATRHJSA-N 402.446 5.417 0 1 HKAF CC1(C)CCc2nc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)sc2C1 587616590 FGEZETMQJKIJHY-WIYYLYMNSA-N 407.491 5.067 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(Br)c3)c(C(=O)C(F)(F)F)c2c1 587639726 CDLOOEMULRVYRS-NSHDSACASA-N 424.260 6.856 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(C(C)(C)C)N1 587698040 HIOXNDPAPUBPIO-YUNKPMOVSA-N 410.758 6.066 0 1 HKAF CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC 587803091 VYVYTLBNXQMBNX-YEJXKQKISA-N 422.338 5.183 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccsc3)c2)N1 587856783 YBIVORIHIRPVDT-YUNKPMOVSA-N 402.332 5.940 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3nccc(Cl)c3s2)N1 587857071 KAUNGEWNXWECEG-VPTHRUTESA-N 411.727 5.475 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1c[nH]c2ccccc12 587858736 AVEMVAZIWSPIHQ-UHFFFAOYSA-N 414.292 5.620 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(F)cc1Cl 587864129 CUWHUKWPZNSNTH-UHFFFAOYSA-N 412.770 5.449 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1ccccc1Cl 587864276 NLYUMDCMISRSGO-UHFFFAOYSA-N 408.807 5.504 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2sccc2cn1 587866323 AQPSXHNVWKIUMB-UHFFFAOYSA-N 417.412 5.266 0 1 HKAF CC1(C)CCC(C)(C)c2cc3c(cc21)O[C@H]1CCCCC[C@]31c1ccc(C(=O)O)cc1 653738894 LHBUMDDDJALQSH-CUBQBAPOSA-N 418.577 6.745 0 1 HKAF CCC[C@@]1(c2cc3cccc(OC)c3oc2=O)c2cc(OC)ccc2CCN1C(C)C 962094774 XGYKBXPTCPBKSS-SANMLTNESA-N 421.537 5.120 0 1 HKAF CCCC[C@@]1(CCCCCCC(=O)OCC)c2c(F)cccc2C[C@H]2CCCN21 963096148 CRYJWCUPCKXOJH-PXDATVDWSA-N 403.582 6.135 0 1 HKAF Fc1cccc2c1[C@@](c1ccccc1)(c1ccc(C3OCCO3)s1)N1CCC[C@H]1C2 963100856 LAGXLLUVPRFDMQ-UQBPGWFLSA-N 421.537 5.245 0 1 HKAF Clc1cc(Cl)c2c(c1)[C@H](c1ccccc1-c1ccc(Cl)c(Cl)c1)NCC2 963117243 CXAXZOJDUGERJC-NRFANRHFSA-N 423.170 7.202 0 1 HKAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21NCCc2ccc(O)cc21 963328791 IXLWLOWGVAVSAS-IUJPGNIVSA-N 403.566 5.298 0 1 HKAF COc1ccc(-c2cc(F)ccc2Cl)cc1[C@@H](CC(=O)O)c1ncc(C)s1 1772616328 PBVRBDARSSOVRE-MRXNPFEDSA-N 405.878 5.526 0 1 HKAF COc1ccc([C@H]2c3ccc4cccnc4c3Oc3nc4c(c(N)c32)CCCC4)cc1 1772635766 UIYNBKZEXYKPIY-NRFANRHFSA-N 409.489 5.385 0 1 HKAF O=C(Nc1cccc(C(=O)Nc2ccc3[nH]ccc3c2)c1)Oc1cccc(Cl)c1 1857757530 ZBQBUGCFWWOZEJ-UHFFFAOYSA-N 405.841 5.685 0 1 HKAF CC(C)CCN1C=CC(=C[C@H]2C=CN(CCC(C)C)c3ccccc32)c2ccccc21 2356330377 JHTYJISFEALDMM-XMMPIXPASA-N 412.621 7.613 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356381117 ATSOHKZZFSOWDR-KWAAJEGVSA-N 416.734 7.961 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc2cc3c(c(O)c2c1O)C(=O)C[C@](C)(O)C3 2356429014 GUJKRVVBNWGDJR-RUZDIDTESA-N 410.510 5.072 0 1 HKAF CC=C(C)[C@H](O)[C@@H](C)C=C(C)C=CC[C@H](C)C=Cc1oc(OC)c(C)c(=O)c1C 2356513050 PIYNCLUPGLBENL-NVVBAYIOSA-N 400.559 5.770 0 1 HKAF COc1c(CC=C(C)C)c2c(c3oc(=O)cc(-c4ccccc4)c13)C(=O)[C@@H](C)[C@H](C)O2 2356531990 DJQOFJYLUOKIRR-HOTGVXAUSA-N 418.489 5.577 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCCO[C@]1(C)CCc2cc(O)cc(C)c2O1 2356718658 BTNBMQIHCRIGOU-MHZLTWQESA-N 412.614 7.568 0 1 HKAF O=C1CCN(Cc2ccccc2)CCN1[C@H](CSc1ccccc1)c1ccccc1 15937565 LHYOTEUXPODRMQ-RUZDIDTESA-N 416.590 5.255 0 3 HKAF CCCCCCN1C[C@@H](O)[C@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccccc1 61923976 GMPZFDPIEMHNIC-UBFVSLLYSA-N 422.548 5.014 0 3 HKAF CCOC(=O)c1cccn1[C@H]1C(=O)N(Cc2ccc(C(C)C)cc2)c2c(F)cccc21 206032840 MIYISKRSFBSJCR-HSZRJFAPSA-N 420.484 5.064 0 3 HKAF Fc1ccc(CNc2nc(-c3ccc(Br)cc3)nc3ccccc23)cc1 2452328 QFHKXZABVUHUCH-UHFFFAOYSA-N 408.274 5.811 0 1 HKAF CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccc(C(C)C)cc1 4152673 IKTAOMCICFKRLA-ISKFKSNPSA-N 408.542 5.217 0 1 HKAF Cc1c(C)c(C(=O)O)c(C)c([C@@H](CCCCCC(=O)O)c2ccc(F)cc2)c1O 13456397 RARXLDWYEXPZPM-SFHVURJKSA-N 402.462 5.322 0 1 HKAF C[C@H]1c2c(ccc3c2[C@H](c2ccc(Cl)cc2)Oc2ccccc2-3)NC(C)(C)[C@@H]1O 13796855 NTYFVXJANQIJET-NGSRUVMCSA-N 405.925 6.157 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]34C)[C@H]1CCC2=O 27200763 FXJBFSBELBAUFO-ADXGXZMRSA-N 413.565 5.409 0 1 HKAF O=C(NCCCNCc1ccc(Cl)c(Cl)c1)Nc1ccc(C(F)(F)F)cc1 28375830 MLSLDRDAFBEGJY-UHFFFAOYSA-N 420.262 5.314 0 1 HKAF O=C(Nc1ccccc1)Oc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(CC1CC1)CC3 28709219 PNQVNINMHSUQSR-NIYJGHKDSA-N 416.565 5.766 0 1 HKAF c1cn(CCCCn2ccc(=NC3CCCCC3)cc2)ccc1=NC1CCCCC1 29228739 AJBDJUQHLTXNBD-UHFFFAOYSA-N 406.618 5.237 0 1 HKAF CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(-c4ccccc4)cc3)ccc2n1 36351805 ZKWRWHQTLOZXRQ-LFIBNONCSA-N 407.517 6.088 0 1 HKAF Cc1ccc([C@@H](O)c2cccc([C@H](C)CN3CCCC[C@@H]3CC3CCCCC3)c2)cc1 39643442 GJBDYIWLLXEWQA-HCLMJZEPSA-N 419.653 7.005 0 1 HKAF FC(F)(F)c1cccc(/C=C/c2ccc(/C=C/c3cccc(C(F)(F)F)c3)cc2)c1 44220636 UQWOKXLFXDWFJH-PHEQNACWSA-N 418.380 8.065 0 1 HKAF Cc1cccc(C)c1C1CCN(C2CCC(NC(=O)/C=C/c3ccccc3)CC2)CC1 45167119 KIEQDHOGGRRWQH-LFIBNONCSA-N 416.609 5.624 0 1 HKAF NCc1ccc(CNCc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)c2)cc1 45189958 PFWIDQJEIPZELC-UHFFFAOYSA-N 418.544 5.645 0 1 HKAF CC(C)=CCC[C@]1(C)C=Cc2c(cc3c(c2O)C(=O)[C@H](c2ccc(O)cc2O)CO3)O1 59729244 CSZKAJDXUNNJKV-AVRWGWEMSA-N 422.477 5.073 0 1 HKAF biogenic,in-vitro CCCNc1ncc(-c2cc(-c3ccccc3OCC)nc(-c3ccccn3)n2)s1 64549328 FUNXZJWLKSWALG-UHFFFAOYSA-N 417.538 5.550 0 1 HKAF O=C(Nc1cccc(Cl)c1)c1cccnc1NC1CCN(Cc2ccccc2)CC1 73163186 FJLKVQYKXSXIPA-UHFFFAOYSA-N 420.944 5.064 0 1 HKAF COc1cc(-c2oc3cc(C)c(C)cc3c(=O)c2O)ccc1OCc1ccccc1 73258054 JRHWCNBLEMCYLH-UHFFFAOYSA-N 402.446 5.370 0 1 HKAF O=C(Nc1ccc(F)cc1)N1CCc2scnc2[C@@H]1c1ccc(C(F)(F)F)cc1 84756862 QTKNCHSLHVSZQT-SFHVURJKSA-N 421.419 5.481 0 1 HKAF CC1=C(/C=C/C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)C(C)(C)CCC1 95590327 YKDPMSOJUIWXSY-DACFSCGWSA-N 404.985 7.730 0 1 HKAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2ccc(Cl)cc2)cc1 100088838 BFVIYEWYACRVHH-UBRQYEGLSA-N 417.940 5.287 0 1 HKAF COc1ccc(C2(c3ccc(OC)cc3)C[C@H]3c4ccccc4[C@H]2c2cccc[n+]23)cc1 100729143 AJPRCVPCFLEYGE-NSOVKSMOSA-N 420.532 5.416 0 1 HKAF CC[C@@H](C)CCC[C@@](C)(CCC[C@@H](C)CCCC(C)C)[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 102191868 CYGHPBQDCJXIPT-ZBCYHBTNSA-N 420.810 10.550 0 1 HKAF CCCCc1ccc(Oc2ccc(C(=O)NCc3ccc(OC)c(OC)c3)cc2)cc1 103182197 OAWIZNQNRWKHGF-UHFFFAOYSA-N 419.521 5.769 0 1 HKAF COc1ccc(N2C(=O)Nc3cc(OC)c(OC)cc3[C@@H]2c2ccc(Cl)cc2)cc1 118795046 UXMFFRFGEASXKL-QFIPXVFZSA-N 424.884 5.507 0 1 HKAF CCCc1c(Cc2ccc(Cl)c(Cl)c2)c(=O)[nH]c2cc(OC)cc(OC)c12 144700304 CINRDQSIZOVAFN-UHFFFAOYSA-N 406.309 5.395 0 1 HKAF CC(C)OC(=O)Oc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc([C@@H](C)N)cc1 165375801 APIJSFSFSPDPLN-CYBMUJFWSA-N 422.506 5.353 0 1 HKAF C[C@@H]1CN(CCCc2ccccc2)[C@@H]2C[C@H](NCC3CC3)C[C@@]1(c1cccc(O)c1)C2 169335095 IIUGSDSXFCBDCZ-XWNCPFMKSA-N 418.625 5.135 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccc(OC)cc2)s1)C3 195232637 MJYUGDRYDHXYRF-YNTUNSCWSA-N 423.578 5.101 0 1 HKAF CC/C=C\C/C=C/C/C=C\C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)O 238767304 SOQKXJABGLKWQX-KOUSHLDRSA-N 408.626 8.442 0 1 HKAF Clc1ccc(-c2ccc(-c3nccn3-c3ccc([C@H]4C=CCNC4)cc3)o2)cc1 299832472 GTLIFCLVWKLWKI-IBGZPJMESA-N 401.897 5.696 0 1 HKAF Cc1ccccc1Oc1ccc(C(=O)N(Cc2ccc(C(=O)O)cc2)CC2CC2)cc1 584598474 ZKTDXQOVMQAYEG-UHFFFAOYSA-N 415.489 5.538 0 1 HKAF O=C(O)/C=C\c1ccccc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586878489 FHQKPODERMNSTE-WAYWQWQTSA-N 411.177 5.109 0 1 HKAF CC(=O)c1ccc(-c2cccc(-c3nc4cc(Br)cc(C)c4[nH]3)c2)cc1 586878785 AMPRXONBKBYBJB-UHFFFAOYSA-N 405.295 6.170 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(Cl)c(N)c(Cl)c4)nc13)-c1ccccc1C2=O 586993365 KZDUSHPCZCWKNK-UHFFFAOYSA-N 405.284 6.311 0 1 HKAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(Br)c(OC(C)C)cc3[nH]2)n1 587080658 SBBBBDCANCEEMD-SNVBAGLBSA-N 411.731 5.601 0 1 HKAF Clc1nc(-c2nc3cccc(I)c3[nH]2)cc2ccccc12 587085725 DFSKSGREZAMHOT-UHFFFAOYSA-N 405.626 5.036 0 1 HKAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 587092938 IPHIGXDPNFRSDB-UHFFFAOYSA-N 400.109 5.969 0 1 HKAF COc1ccc(-c2nc3cccc4c3c(c2CCCC(=O)O)-c2ccccc2C4=O)cc1 587105925 BSSOYWJFBKZUDB-UHFFFAOYSA-N 423.468 5.529 0 1 HKAF COC(=O)[C@@]1(c2ccccc2)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587107401 SCXQZDLHNKCORF-NDEPHWFRSA-N 419.480 5.046 0 1 HKAF COc1cc(OC)c2[nH]c(-c3cccc(CSc4cc(F)ccc4F)c3)nc2c1 587141588 VUAZGLQCLDMPBR-UHFFFAOYSA-N 412.461 5.818 0 1 HKAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587148758 FVVGWNIRWHUOIG-IBGZPJMESA-N 417.431 6.515 0 1 HKAF CC(C)(C)c1ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 587159823 VBSIUCXYCMKLHC-QFIPXVFZSA-N 408.904 6.821 0 1 HKAF Clc1ccc(I)cc1-c1nc2cnc3ccccc3c2[nH]1 587182813 NTJQXZZAYKPIQX-UHFFFAOYSA-N 405.626 5.036 0 1 HKAF FC(F)(F)c1cccc2nc(/C=C/c3cccc(I)c3)[nH]c12 587183738 IEMATOHEGACZBO-BQYQJAHWSA-N 414.168 5.357 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587192587 WGSAQXVQDSWHNU-QGZVFWFLSA-N 405.420 5.538 0 1 HKAF C[C@@]1(CCc2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329682 FFPKNVTYRYWVTD-VWNXMTODSA-N 412.407 5.560 0 1 HKAF CC(C)COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587345539 FTDXFFMDCDKPKM-AHWVRZQESA-N 420.480 5.840 0 1 HKAF Cc1ccc(C[C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587358924 YWVYGLMWXWKCBS-AZGAKELHSA-N 402.465 5.590 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](c2ccc(F)cc2)C3)c1 587359023 CIPTTYIEFYNVPY-GOSISDBHSA-N 409.460 6.678 0 1 HKAF COc1cccc(-c2c(Cc3c(F)cccc3F)c(C)nc3c2oc2ccccc23)c1 587360147 MOEODCRCKUBVGS-UHFFFAOYSA-N 415.439 6.834 0 1 HKAF COC(=O)[C@H]1CCCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587363825 WDGUDDQBFNSEQM-INIZCTEOSA-N 401.462 5.325 0 1 HKAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1ccc(Cl)cc1 587381014 ZPZPEAYYUHBPNC-JOCHJYFZSA-N 423.896 5.525 0 1 HKAF Cc1ccc([C@@]2(c3c(N)sc4c3CCCC4)CC(=O)c3cc(C)cc(N)c3O2)cc1 587415829 YTBPXRMWANBEIS-RUZDIDTESA-N 418.562 5.317 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cc(Br)c1F)CC2=O 587465028 FEWIBMYRJTTZFQ-INIZCTEOSA-N 413.670 5.606 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Oc3ccccc3)c(F)c1)CC2=O 587466995 PATGZJXCHUNWJM-RUZDIDTESA-N 406.453 6.157 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1nc3ccc(C)cc3s1)CC2=O 587492795 BZTXQCJNQNDRGB-OAQYLSRUSA-N 418.518 5.760 0 1 HKAF O=C(O)CC[C@]1(c2cccc3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587528513 ASEMJXXINPSHOH-AREMUKBSSA-N 400.474 5.444 0 1 HKAF O=C(O)Cc1cccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c1 587531359 ZHIHHWYKYOZROR-RUZDIDTESA-N 412.485 5.566 0 1 HKAF C[C@@]1(c2ccc(-c3ccc(C(=O)O)o3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587533562 RDAJWQSIDLZKMG-VWLOTQADSA-N 402.446 5.404 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc(F)cc1F 587566750 ASPYGCUYJWSUOW-XUZZJYLKSA-N 419.383 5.164 0 1 HKAF Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1Cl 587696871 UQJZYELIFBHLBI-HUTHGQBESA-N 403.122 5.827 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)cc2)N1 587715682 RVVKVXILHMYHML-BTDLBPIBSA-N 402.229 5.405 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(Cl)c2Cl)N1 587716816 DZJGJDRHUJFANA-VGDKGRGNSA-N 407.085 5.658 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OC(F)F)N1 587717213 KSSZVRJYYYZVAH-VPTHRUTESA-N 420.656 5.467 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(F)cc3F)o2)N1 587726715 YZZCOOUTDZCDDV-CFMSYZGJSA-N 422.244 5.750 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2Nc2ccccc2)N1 587749711 QFBQSAKUKPZNCS-CFCCAZDESA-N 403.339 5.372 0 1 HKAF CC(C)n1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 587756780 MALNHZPOYMWBSK-HXPMCKFVSA-N 402.311 5.142 0 1 HKAF CCn1nc(CC[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587761626 BHVTWZNHFXTHPW-YJYMSZOUSA-N 416.338 5.166 0 1 HKAF COc1cccc(OCc2ccc(-c3nc4nc(C)c(Br)cc4[nH]3)cc2)c1 587780841 JXUYKGBNZQSOAK-UHFFFAOYSA-N 424.298 5.283 0 1 HKAF CCOC(=O)C[C@]1(CCCC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587792225 AYXDZRHCWILUIM-XOBRGWDASA-N 414.359 5.097 0 1 HKAF CC(C)c1ccc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1 587806028 UKFKUTMYEZZZTG-XUSGNXJCSA-N 401.323 5.817 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H](c3ccccc3)C2)N1 587818027 OQZLRHOGENFKBD-LDJQZATESA-N 402.351 6.066 0 1 HKAF CC/C=C\C[C@H]1[C@H](CC(=O)O)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587831954 YDRQYHQAZYDAIO-DUOYFEMOSA-N 424.354 5.175 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3cccc(O)c3)c2)N1 587833710 OXCOXGMJHVIKRI-XMHCIUCPSA-N 412.302 5.584 0 1 HKAF Cc1ccc(SC(C)(C)[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587841841 SCBYBUUZIWTINU-DJJJIMSYSA-N 408.380 6.043 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccccc3)s2)N1 587846392 HGIVAPCMAYCMAG-ZSEKCTLFSA-N 416.359 6.114 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1cccc(Cl)c1 587864984 XMEFMNAIANSQLT-UHFFFAOYSA-N 411.836 5.476 0 1 HKAF Cc1ccc(OCc2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)o2)cc1C 587874989 LCNSSHYSQAOKGK-UHFFFAOYSA-N 404.397 5.272 0 1 HKAF Fc1ccc2[nH]c(-c3cccc(N4C[C@H]5CN(Cc6ccccc6)C[C@@H]5C4)c3)cc2c1 618017160 HHQLULDIWJULNZ-DHIUTWEWSA-N 411.524 5.542 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2cc(Cl)cc(Cl)c2)(C2CCCC2)N1 962943873 DIDKJZSGGHGQOG-DVECYGJZSA-N 413.392 6.833 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(F)cc2)(c2cc(Cl)cs2)N1 962958389 PWFSQXHVLROELY-GAJHUEQPSA-N 410.945 6.238 0 1 HKAF Cc1ccc2nc([C@@H]3NCC4(CCOCC4)c4cc(C(F)(F)F)ccc43)ccc2c1 962964253 ZQANDYZGMDRMAV-JOCHJYFZSA-N 412.455 5.303 0 1 HKAF O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1[C@]1(c2ccccc2)NCCc2c(Cl)cc(Cl)cc21 963123974 QCNVSNHYOQFAPX-PPYDPSSVSA-N 416.348 5.130 0 1 HKAF CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cc4ccccc4s3)o2)c1 1772596724 IPHOJHHAZPKUQW-UHFFFAOYSA-N 414.508 5.102 0 1 HKAF OC[C@@H]1CN(c2nc3ccc(Cl)cc3s2)Cc2[nH]c3ccc(Cl)cc3c21 1857567989 SULILXSTZJFHCS-JTQLQIEISA-N 404.322 5.181 0 1 HKAF O=C(NCc1ccccc1)Nc1sc(-c2ccc(Cl)c(Cl)c2)cc1C(=O)O 1857613169 OINUFIJDMVGKQI-UHFFFAOYSA-N 421.305 5.742 0 1 HKAF N[C@H](c1ccccc1)c1csc(NC(=O)NC(c2ccccc2)c2ccccc2)n1 1857615923 GNTPIZSYPQNAHD-OAQYLSRUSA-N 414.534 5.102 0 1 HKAF O=C(Nc1cccc(Nc2ncnc3c2Cc2ccccc2N3)c1)c1cccc(F)c1 1857630341 VKEWRAFUEYDXQW-UHFFFAOYSA-N 411.440 5.259 0 1 HKAF COc1ccc(-c2cn(Cc3cn(-c4ccccc4)nc3-c3ccccc3)nn2)c(C)c1 1857647153 XUJBFTSBMXGAKK-UHFFFAOYSA-N 421.504 5.163 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CCC2=C3CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356375756 GLMODYUVPPNCQV-RKCUTERNSA-N 412.702 7.801 0 1 HKAF COc1cc2c(c(OC)c1-c1ccc3cc(C)cc(OC)c3c1O)[C@H](C)N(C)[C@H](C)C2 2356756335 SJNZZGIFTLOUDH-CVEARBPZSA-N 421.537 5.484 0 1 HKAF Cc1ccc(-c2nc3cc(C)c(Br)c(C)n3c2Cc2ccccc2)cc1 95568238 WJWLIIFIJFRLAO-UHFFFAOYSA-N 405.339 6.280 0 3 HKAF Clc1ccc(OCCO/C(=C\n2ccnc2)c2ccc(Cl)cc2Cl)cc1 1846112 ABVFVJRTKMVJMV-UNOMPAQXSA-N 409.700 5.895 0 1 HKAF in-man O=C1[C@@H](c2ccc(Br)cc2)N(c2ccccc2)C(=S)N1c1ccccc1 13680164 IWLRCWFHYARFJX-LJQANCHMSA-N 423.335 5.329 0 1 HKAF CC1=C(/C=C\C2=CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O 26485909 DOIZGAFWGREMOD-FTNBFKHKSA-N 416.646 5.705 0 1 HKAF CCC(CC)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)OC3CCCCC3)CN(C)[C@H]1C2 27518699 SKNWFEHTHVXKSX-VPHKFGTKSA-N 422.613 5.838 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCc1cc(=O)c2cc(O)c(C)c(C)c2o1 27629401 BRXQSFHZGZNZFT-LCAIAVFMSA-N 408.582 7.467 0 1 HKAF O=C1O/C(=C\c2cccc(C(F)(F)F)c2)C(O)=C1c1ccc(-c2ccccc2)cc1 28565907 CSJCAKKCHFRMDN-ZHZULCJRSA-N 408.375 6.239 0 1 HKAF OC[C@@H]1CCCN1CCCCCCCCCCCCCCCCN1CCC[C@@H]1CO 28865213 SGFWBTCKZOSALB-WMPKNSHKSA-N 424.714 5.361 0 1 HKAF O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccc(-c2ccccc2)n1 40845711 PGLMTHFDBWHAIP-UHFFFAOYSA-N 424.435 5.809 0 1 HKAF CC(C)(C)c1ccc(NC(=O)C2=CCN(c3ncccc3C(F)(F)F)CC2)cc1 40943140 ZKVHJFLFVGNDON-UHFFFAOYSA-N 403.448 5.173 0 1 HKAF Cc1cc(-c2ncsc2C)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 43063824 KJGRDYKSNMLUEV-UHFFFAOYSA-N 416.333 6.256 0 1 HKAF C[C@H]1CN(Cc2ccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)cc2)C[C@H](C)O1 45303038 ILNGTPCQDDKIAH-ROUUACIJSA-N 415.512 5.645 0 1 HKAF COc1ccc(-c2ssc(=S)c2-c2cc(OC)c(OC)c(OC)c2)cc1 59101537 YEYVQEKXWGYCRT-UHFFFAOYSA-N 406.550 5.907 0 1 HKAF CC(C)[C@@H](NC(=O)[C@@H](N)[C@@H](C)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 73222524 YWOQSBVWBDQIDN-RIEVBORMSA-N 420.984 5.951 0 1 HKAF COc1ccc2nccc([C@@H](O)[C@H]3C[C@H]4CCN3C[C@@H]4/C=C/c3ccccc3C)c2c1 84597003 MXKHOVFKUGONIT-JRUVMKBESA-N 414.549 5.009 0 1 HKAF CCN(CC)CCOc1cccc(Nc2nc(C)cc(-c3ccc(Cl)cc3)n2)c1 95573458 LMFSHACQWXUYEZ-UHFFFAOYSA-N 410.949 5.570 0 1 HKAF CC[C@@H](COc1cccc(C(F)(F)F)c1)OC(=O)NCc1ccc(Cl)cc1 103194091 BGDHNSGPGZOUOG-INIZCTEOSA-N 401.812 5.443 0 1 HKAF Cc1nc(SCC(=O)c2cccc(Cl)c2)n(Nc2ccc(Cl)cc2)c1C 103243281 ZUJDZWUUVULAKE-UHFFFAOYSA-N 406.338 5.657 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccc3c(c2)OCO3)C[C@@H](c2ccccc2)C1 103868099 DZOUCPLVTYOZJJ-WXTAPIANSA-N 410.473 6.044 0 1 HKAF NC1(c2ccc(-c3nc4nc(-c5ccccc5)ccn4c3-c3ccccc3)cc2)CCC1 113656369 IGZBZGFHJNODTL-UHFFFAOYSA-N 416.528 6.068 0 1 HKAF CCOC(=O)[C@@H](N)Cc1c[nH]c2ccc(-c3ccc(Oc4ccccc4)cc3)cc12 146730701 CANWUDJNXMBYLX-QHCPKHFHSA-N 400.478 5.060 0 1 HKAF CNc1cc2nc(C)c(-c3cc(NC(=O)NCCC(C)(C)C)ccc3C)cc2cn1 147142513 WLXZGXQZOPTKEN-UHFFFAOYSA-N 405.546 5.513 0 1 HKAF CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c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endogenous,in-man C[C@H]1CN(CCCc2ccccc2)[C@H]2C[C@H](NCC3CC3)C[C@@]1(c1cccc(O)c1)C2 261112953 IIUGSDSXFCBDCZ-BZACYDOXSA-N 418.625 5.135 0 1 HKAF C[C@@H](Sc1nnc(-c2ccncc2)s1)C(=O)Nc1ccc(Cl)cc1Cl 473084258 RFBJUQJRABJHOC-SECBINFHSA-N 411.339 5.026 0 1 HKAF N=c1[nH][nH]c2cccc(-c3cccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c3)c12 473152644 URZFTDXMFHPNRD-UHFFFAOYSA-N 411.387 5.305 0 1 HKAF CCOc1cc(/C=C\c2nc3cc(C)c(F)cc3[nH]2)cc(Br)c1OC 586977253 DLFSEBNHDUZFSS-WAYWQWQTSA-N 405.267 5.351 0 1 HKAF CCOc1n[nH]c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1Br 586979380 BOLVAFVEMMBCRD-UHFFFAOYSA-N 415.316 5.265 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2cccc(Cl)c2[nH]1 586980983 COAMPGAIUAIGPP-UHFFFAOYSA-N 407.739 6.605 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587035282 ULMXYYIOZFJRKU-SNVBAGLBSA-N 421.419 5.605 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3cccc(-n4nc(C)c(Cl)c4C)c3)nc2c1 587065790 XUEWCGPMJMMGAO-UHFFFAOYSA-N 415.722 5.757 0 1 HKAF COc1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1OC 587068933 AAOWCHSUFSLBGR-RGEXLXHISA-N 418.924 6.407 0 1 HKAF Cc1ccc(-c2cc(-c3nc4cccc(C(C)(C)C)c4[nH]3)c3cccc(Cl)c3n2)o1 587082702 CCRHTLCWWHYPMU-UHFFFAOYSA-N 415.924 7.297 0 1 HKAF C[C@@H](c1nc2cc(Cl)nc(Cl)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587130819 XFWBNEWYINNXIB-VKHMYHEASA-N 416.593 5.599 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)c(F)c2)c1 587147374 OOHLVTPTBURWSQ-UHFFFAOYSA-N 418.468 6.040 0 1 HKAF CC[C@@H](Oc1ccccc1F)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587154227 AIUMEEGOVJSUHF-CYBMUJFWSA-N 417.200 6.013 0 1 HKAF O=C1CCc2cc3nc([C@H](Oc4ccc(F)cc4Cl)c4ccccc4)[nH]c3cc2N1 587158197 GZSUEXTWOIRHPE-JOCHJYFZSA-N 421.859 5.409 0 1 HKAF C[C@@]1(c2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329736 ZARXUYQDIJMWOQ-UNMCSNQZSA-N 417.263 6.112 0 1 HKAF CC(C)=C1Oc2cc(O)ccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587361174 XUEPZMBCXZIFHB-WIOPSUGQSA-N 418.420 5.178 0 1 HKAF CCCC[C@@H](C(=O)OCC)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587363334 RBMIHNDZBQSQHX-LJQANCHMSA-N 417.505 6.494 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(Br)cc1Cl)CC2=O 587457134 FSCJKQQORFIDKY-HXUWFJFHSA-N 423.734 6.031 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H](C(C)(C)C)C[C@@H](C)C[C@@H]1C(C)(C)C 587487290 ZQWTWZYOPZHYAQ-YBLMMKKXSA-N 400.603 6.803 0 1 HKAF O=C1C[C@@H](c2ccccc2Oc2cc(F)cc(F)c2)Oc2c1ccc1c2CCCC1 587504960 OZWSSELGPFSHNT-DEOSSOPVSA-N 406.428 6.342 0 1 HKAF O=C1C[C@H](c2cnc(-c3ccc4ccccc4c3)nc2)Oc2c1ccc1c2CCCC1 587516807 ZWOAMSUONOUBIQ-RUZDIDTESA-N 406.485 5.882 0 1 HKAF CC1(C)CCc2ccccc2[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587600478 BCPJPGBKBBRMQW-ATIYNZHBSA-N 400.474 5.612 0 1 HKAF Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cccc1C(F)(F)F 587710322 FVMVYFVWKFFCSL-VVVCHXIZSA-N 402.229 5.539 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2SC(F)(F)F)N1 587724144 ZYYUQLRHFIWAGE-JDNHERCYSA-N 420.269 5.824 0 1 HKAF C(=C\c1nc2ccc(Oc3ccccc3)cc2[nH]1)\c1ccc(OCc2ccccc2)cc1 587784654 TWWYTEZECQDSDL-AQTBWJFISA-N 418.496 7.105 0 1 HKAF Cc1ccc(OCC2CC2)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587810500 UPTISKWRVTXZPZ-ASSNKEHSSA-N 404.323 5.309 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@@](C)(c3ccccc3)CC2)N1 587816952 GIQMMOQOLSMSHU-RTOPAQNCSA-N 400.335 5.626 0 1 HKAF Cc1cc2cc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)oc2cc1C 587831685 XWMBYACXSISDPN-LRTDBIEQSA-N 402.307 5.749 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CSc2ccc(Cl)cc2)N1 587844222 KXDIEHFANMFDBE-BBATYDOGSA-N 414.771 5.783 0 1 HKAF Cc1ccsc1[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587845023 QFKLCHATBRVFHN-SZNDQCEHSA-N 416.359 5.784 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CNc1ccccc1Cl 587864936 VUKQWOMZJJBRKO-UHFFFAOYSA-N 423.822 5.373 0 1 HKAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587927077 NVBVQFWARBEKQG-NSHDSACASA-N 414.811 5.674 0 1 HKAF CC(C)CCCCCCCCCCCCCCCCCc1nc2c(N)ccnc2[nH]1 587956863 DLJZUPHUIRKTSN-UHFFFAOYSA-N 414.682 7.980 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cnccc2[nH]1 587958150 BBLUNHGHNQULCZ-WWMAXSSBSA-N 403.614 7.812 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ncc[nH]c-2n1 587958162 BESRDIPETVETNQ-WWMAXSSBSA-N 404.602 7.159 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(CC(C)C)cc2)(c2cccs2)N1 962944222 HICGPVDWUJKFSN-IDISGSTGSA-N 414.618 6.644 0 1 HKAF CCOc1ccc(OC[C@@]2(C3CCCC3)N[C@H](CC)Cc3c2[nH]c2ccccc32)cc1 962945675 JOYVGDYDJWHNQS-HRFSGMKKSA-N 418.581 5.955 0 1 HKAF CC[C@H](C)[C@@]1(C)c2cc(O)ccc2CCN1c1nc(Cl)nc2c1ncn2C(C)C 963917453 WBRIRGUXKKFEFX-FPTDNZKUSA-N 413.953 5.090 0 1 HKAF CC1(C)C=Cc2c(ccc(-c3cc(=O)c4c(O)cc5c(c4o3)C=CC(C)(C)O5)c2O)O1 1857630847 NDIMEPDEMYOWKO-UHFFFAOYSA-N 418.445 5.240 0 1 HKAF CC(C)[C@@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857743851 TWZNIUKPPRAQCW-FBFQPVLYSA-N 414.674 6.526 0 1 HKAF CC(C)CCC[C@@](C)(O)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356600066 XSGAQCLMXROKDH-QBGUBPKESA-N 418.662 5.474 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356616373 UVNXFLZMQCAWCP-IZVHYGILSA-N 414.718 8.025 0 1 HKAF COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@@H]12 2356638317 ZRSJOCYVVPWHMC-WIHVIGOGSA-N 402.575 5.618 0 1 HKAF COc1ccc(NC(=O)NC[C@@H]2CC[C@@H](Cc3ccc(-c4ccccc4)cc3)O2)cc1 61959140 VRLJIRSJPXXWOF-DQEYMECFSA-N 416.521 5.274 0 3 HKAF COc1cc(O)c([C@@H]2CC(=O)c3ccc(O)c(CC=C(C)C)c3O2)cc1CC=C(C)C 14780750 BDNVEGLVZLTFLX-VWLOTQADSA-N 422.521 5.830 0 1 HKAF biogenic COc1cc(O)ccc1[C@H]1COc2cc(O)c(C/C=C(\C)CCC=C(C)C)cc2C1=O 15120701 ZGULOOFGOGKGGG-CRAILRFSSA-N 422.521 5.701 0 1 HKAF COc1c2c(cc3c1[C@H]1Oc4c(ccc5c4C=CC(C)(C)O5)[C@H]1CO3)OC(C)(C)C=C2 15251904 GYTBWEWXRFODTH-OSPHWJPCSA-N 418.489 5.673 0 1 HKAF biogenic O=C1[C@@H](c2ccccc2)[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H]1c1ccccc1 17835436 CRLQJTSACHTAGF-KMKVIZFGSA-N 403.525 6.209 0 1 HKAF Clc1ccc(-c2cc(-c3ccccc3Br)c(-c3ccncc3)[nH]2)cc1 27731253 OLORAIPIPRFIOH-UHFFFAOYSA-N 409.714 6.827 0 1 HKAF O=C(Cc1c(-c2ccccc2)[nH]c2ccccc12)N(Cc1ccncc1)C1CCCC1 27999400 YXTWBKDZBKDUFC-UHFFFAOYSA-N 409.533 5.744 0 1 HKAF FC(F)(CNc1cccc2oc(Nc3cccc(Cl)c3)nc12)c1ccccn1 28525714 UJCQELQFYCZTIW-UHFFFAOYSA-N 400.816 5.824 0 1 HKAF COc1ccc2c(C)cc(N[C@H]3CC[C@H](NCc4cn(C)c5ccccc45)C3)nc2c1 28951136 JVZSAWYDIFBBDC-PMACEKPBSA-N 414.553 5.166 0 1 HKAF CCCCCC[C@@]1(C)C[C@H](NC(=O)CN(CC)CC)c2c(C)c(O)c(C)c(C)c2O1 34296957 FAGPYXZHCVGSPV-CPJSRVTESA-N 418.622 5.328 0 1 HKAF COc1ccc(CN[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1 36323651 YSLVLJLBAALQJN-NSOVKSMOSA-N 412.577 5.080 0 1 HKAF CCCN(CCC)c1cccc2nc(Nc3c(C)cc(Cl)cc3Cl)n(C)c12 38334120 LQUVXPYOOJJHMF-UHFFFAOYSA-N 405.373 6.559 0 1 HKAF COc1cccc(C2(CNC(=O)Nc3c(C(C)C)cccc3C(C)C)CCNCC2)c1 40861117 YBEUOHSZZRMCCR-UHFFFAOYSA-N 423.601 5.385 0 1 HKAF CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2Nc1ccccc1C 40934718 ZNEYMKBUYJEGSJ-QFIPXVFZSA-N 400.566 6.680 0 1 HKAF O=C(Nc1ccsc1)Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1 45187768 JSUMEHDVUJAFRY-UHFFFAOYSA-N 410.502 6.602 0 1 HKAF CCCOc1ccc(Oc2ccc(-c3ccc([C@H](C)NC(=O)C(C)C)cc3)cn2)cc1 45324103 HXPDGARYOTZGOE-IBGZPJMESA-N 418.537 6.163 0 1 HKAF Cc1cc(=O)oc2cc(N3C(=O)CS[C@H]3c3ccc(-c4ccoc4)cc3)ccc12 49695369 CCBJOCVDKSKEMC-QHCPKHFHSA-N 403.459 5.140 0 1 HKAF Cc1ccc(Cc2nn3c(Br)c(-c4ccc(F)cc4)nc3s2)cc1 71296018 NKLOJHILTYPGMQ-UHFFFAOYSA-N 402.292 5.259 0 1 HKAF COc1cccc([C@@H](O)c2nnc(Nc3ccc(Oc4ccccc4)cc3)s2)c1 82078152 ILQDEUGRNOCIJD-HXUWFJFHSA-N 405.479 5.164 0 1 HKAF COc1cc2nc(NCc3ccc(Cl)cc3)nc(NCCC(C)C)c2cc1OC 82131162 CZASMQKDKZOITF-UHFFFAOYSA-N 414.937 5.371 0 1 HKAF Cc1cnc(-c2cnc(NC3CCCCC3)nc2-c2ccc(-c3ccccc3)cc2)o1 82176334 XIKRJJUKFPBUFQ-UHFFFAOYSA-N 410.521 6.519 0 1 HKAF Cc1ccc(CNc2ncnc3c2nc(-c2ccccc2)n3CCc2ccccn2)cc1 82179072 AGPQHNDKNDFSDX-UHFFFAOYSA-N 420.520 5.052 0 1 HKAF c1ccc(CN[C@H]2C3C[C@@H]4CC[C@@H](C3)N4[C@H]2C(c2ccccc2)c2ccccc2)cc1 101473870 AIGRKPPMDORFBF-DZXSPZCNSA-N 408.589 5.602 0 1 HKAF CSc1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)cc1 103868147 XJBIHLSSPMGGOI-AFMDSPMNSA-N 412.558 7.038 0 1 HKAF CCC[C@@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(Cl)cc1)CCCC3 113123721 MFPYBIOEWILXBZ-QGZVFWFLSA-N 413.970 6.772 0 1 HKAF C[C@@H](CO)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118923928 XMULUVSUDUCTFU-QDKHZERXSA-N 418.662 5.332 0 1 HKAF in-vitro CCOC(=O)c1ccc(NC23CC4CC(CC(C4)C2)C3)c(NCc2ccccc2)c1 205354548 GHCJYJVGNMNGBJ-UHFFFAOYSA-N 404.554 5.856 0 1 HKAF Cc1cccc(-n2cnc3cc(C(=O)N4CCC(Cc5ccccc5)CC4)ccc32)c1 206510286 UFMMVWDRNADPPP-UHFFFAOYSA-N 409.533 5.429 0 1 HKAF CC[C@@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)[C@H]3CCC4=C(C(=O)O[C@H]4C)[C@@]3(C)[C@@H](O)C[C@H]21 238752517 ZJHCKXNQASXDJG-YZVIBBMASA-N 414.630 6.048 0 1 HKAF COc1cc2c(c(C)c1-c1ccoc1)C[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C 238777962 YDLXVDBWQZWRFB-HPNOHPCFSA-N 424.581 5.262 0 1 HKAF OC(c1ccccc1)(c1ccccc1)C1CCN(CCc2ccc(Cl)cc2)CC1 299838891 WKARODVWINPWQE-UHFFFAOYSA-N 405.969 5.531 0 1 HKAF O=C(O)c1ccccc1/C=C/c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586878129 ADEGVHGLEYEHQL-AATRIKPKSA-N 411.177 5.213 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)SCc3ccccc3)nc2c1 586963205 LRENTQUEBQCJEF-GFCCVEGCSA-N 419.344 5.497 0 1 HKAF O=C(O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586986801 VYYWGADLQMVSRG-UHFFFAOYSA-N 415.832 5.099 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc5c(c4)OC(F)(F)O5)nc13)-c1ccccc1C2=O 586997587 ZQNNCWUHMCEXMY-UHFFFAOYSA-N 401.368 5.743 0 1 HKAF CSc1ccc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2c1 587021509 OJYAOWLESLVXAJ-UHFFFAOYSA-N 415.547 6.214 0 1 HKAF Clc1cc(Br)cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 587032178 GGJGQHYKAWCUQT-UHFFFAOYSA-N 418.747 5.987 0 1 HKAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cccc(Cl)c3[nH]2)c1 587048119 DUEHAXSOHCRCID-UHFFFAOYSA-N 419.312 5.180 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(Br)cc(Cl)c2[nH]1 587076239 RQNHCMQXUWVWIF-UHFFFAOYSA-N 422.113 5.793 0 1 HKAF COc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1SC(F)F 587103586 KVEPZARIOUDOOX-UHFFFAOYSA-N 419.452 6.437 0 1 HKAF CCCCCOc1cc2[nH]c(-c3ccc(N(C)C)cn3)nc2cc1Br 587194761 NMQUNQILKNBVNV-UHFFFAOYSA-N 403.324 5.022 0 1 HKAF COc1cccc(-c2cc(-c3cnc(OC)c(Cl)c3)nc3c2oc2ccccc23)c1 587357223 DYJTZXSUSKLZHB-UHFFFAOYSA-N 416.864 6.381 0 1 HKAF COc1cccc(-c2cc(-c3c(OC)cccc3OC)nc3c2oc2ccccc23)c1 587362876 MMSIUWKCCOGOSX-UHFFFAOYSA-N 411.457 6.341 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C(C)(C)C)nc1-c1ccccc1Cl)O2 587376591 DQSCBUYEFJEXAD-FQEVSTJZSA-N 409.917 5.556 0 1 HKAF CN(C)/C=C/[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587512861 PUSVOYMFXSEGGM-NOVDBHPTSA-N 423.556 6.168 0 1 HKAF Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cccc1C(F)(F)F 587550311 UMVVQIUJEOUGAF-WIYYLYMNSA-N 400.352 5.422 0 1 HKAF COc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 587616445 KFCUOKSKWMDVHA-RDGATRHJSA-N 414.413 5.364 0 1 HKAF CCOC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2ccc([C@H](C)CC)cc12 587638616 GEOHHTXJLAVFNN-CQSZACIVSA-N 414.343 6.217 0 1 HKAF Cc1cc(F)ccc1N1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587730835 KYCPHULMBIFVTQ-CQSZACIVSA-N 421.329 5.066 0 1 HKAF CC(C)[C@]1(CCc2cccc(N)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587747863 SNEQKPILAAXERK-SZNDQCEHSA-N 405.355 5.189 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)c1 587779876 HYLXBMFDGCBLHB-UHFFFAOYSA-N 402.450 5.091 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(-c4ccccc4)cc32)N1 587817332 KFRKXKRQFYJVMJ-MYYSRTQBSA-N 422.341 5.979 0 1 HKAF Cc1nc(-c2ccccc2)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587850980 HDUXGFSNQCOVOD-WLRWDXFRSA-N 417.347 5.644 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1ccccc1Cl 587856546 NJCZOCXSZVZGAS-UHFFFAOYSA-N 409.700 5.792 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccc(C)cc1C 587862240 JDRUDDGLZOUVNN-OAHLLOKOSA-N 418.415 5.302 0 1 HKAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(F)cc(Br)c3[nH]2)cc1 587936730 LTRYWHUGTXBFJY-LJQANCHMSA-N 411.274 5.653 0 1 HKAF CCCCc1ccc(-n2c(O)cc(-c3ccc(N)cc3)c2O)c(Br)c1 587937703 TVERVCYGPLEJEF-UHFFFAOYSA-N 401.304 5.243 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cn(-c3ccc(Cl)cc3Cl)nn2)N1 962949287 FEOGHSGBKRXWJZ-LRTDBIEQSA-N 412.324 5.069 0 1 HKAF CCCC[C@@]1(C(C)C)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccccc1N 963150646 WHYKTZPREVTJRO-RUZDIDTESA-N 410.558 5.026 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CSc1ccccc1)c1ccc(F)cc1 963224605 DTLCCUFWYCKYSY-RXFWQSSRSA-N 405.582 6.518 0 1 HKAF CC1(C)C2=C[C@@]3(CC(C)(C)[C@]24CC[C@H]1C4)N[C@@H](C(=O)O)Cc1c3cnc2ccccc12 963237778 UJNTZEZGUXZYIF-HZABMNODSA-N 416.565 5.212 0 1 HKAF CC(C)(C)C[C@@]1(c2ncco2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963817169 KYSOFUPPJGMWGX-AREMUKBSSA-N 415.537 5.560 0 1 HKAF Cc1cccc(C)c1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NCCc1ccccc1 1857542501 QTBHPQXJELWRFR-RUZDIDTESA-N 411.549 5.167 0 1 HKAF NC(=O)c1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)nc(-c3ccco3)c2)cc1 1857549770 ZASYOQOMLBQVGX-UHFFFAOYSA-N 424.378 5.673 0 1 HKAF COc1cccc([C@H](C)n2nnc3cnc4ccc(-c5c[nH]c6nccc-6c5)cc4c32)c1 1857549776 CRDIBCKQRGELTJ-HNNXBMFYSA-N 420.476 5.092 0 1 HKAF O=C(Nc1sc2c(c1C(=O)NC1CCCCC1)CCCCC2)c1ccccc1O 1857755354 UXJAONKXGUFCFO-UHFFFAOYSA-N 412.555 5.037 0 1 HKAF Cc1cc(C)cc([C@H]2CCCN2Cc2ccc(Oc3ccc4c(O)noc4c3)cc2)c1 1911575405 BRAMTCAKURNZGZ-XMMPIXPASA-N 414.505 6.280 0 1 HKAF CC(C)[C@@H]1CC[C@H]2[C@]3(C)CC=C4[C@@H](CC[C@H]5C(C)(C)[C@H](C)CC[C@]45C)[C@@]3(C)CC[C@]12C 2356329028 PZXKVMLXLHHEGS-CFMZPTMVSA-N 424.757 9.300 0 1 HKAF CCCCC=CCCCCCCCCCCCc1cc(=O)c2c(o1)CCC[C@@H]2O 2356396651 RBDBYUSQLNFUGJ-QHCPKHFHSA-N 402.619 7.199 0 1 HKAF CC(C)=CCCC1=C[C@@H](CC(C)=CCC[C@@]2(C)C=Cc3cc(O)cc(C)c3O2)OC1=O 2356440448 BNWXBVSPPVIYFO-SQHAQQRYSA-N 422.565 6.580 0 1 HKAF C[C@H](CCCC(C)(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356466746 RABSKEHWTLLVFW-BJLWCAHKSA-N 414.718 8.169 0 1 HKAF CC(C)CCC[C@@H]1C(=O)OC[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](O)CC[C@@]54C)[C@@H]2CC[C@H]13 2356478456 FMGJZNYCKWFPAI-BWQWVWOUSA-N 414.630 5.906 0 1 HKAF C[C@]1(Cc2c(Cl)cccc2Cl)C(=O)Nc2cc(-c3ccccc3Cl)ccc21 61897570 YGASEYMMYGKEQB-JOCHJYFZSA-N 416.735 6.766 0 3 HKAF Cc1cc(C)nc(Nc2nc3ccc(C(=O)Nc4c(C)cccc4Cl)cc3s2)c1 13536571 CTQKUUSETDSJHZ-UHFFFAOYSA-N 422.941 6.266 0 1 HKAF COc1ccc2c(c1)-c1ccc3c(c1[C@@H](c1ccc(Cl)cc1)O2)C(C)=CC(C)(C)N3 13777154 QHPLLVOQIJWVSH-RUZDIDTESA-N 417.936 7.105 0 1 HKAF O=P(O)(O)[C@H](Cc1ccc(-c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 26839440 NRZNRERLJUJPDI-HXUWFJFHSA-N 406.340 5.834 0 1 HKAF Cc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)c3ccccc3)nc2n1 27424030 AYRVLKWUGGPZGU-UHFFFAOYSA-N 409.276 5.559 0 1 HKAF COc1ccc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1Br 28563437 BBOYYEGPOQLVGQ-UHFFFAOYSA-N 422.282 5.253 0 1 HKAF O=c1c(-c2ccc3ccccc3c2)c(-c2ccccc2)c(-c2ccccc2)nn1CCO 29204493 ZBKFDOPFQRHTII-UHFFFAOYSA-N 418.496 5.390 0 1 HKAF Cc1ccc(Cl)c2sc(-c3ccc(-c4ccc(C(=O)O)c5ccccc45)[nH]3)cc12 29473208 KRDBKKOZGVLLRJ-UHFFFAOYSA-N 417.917 7.377 0 1 HKAF CCCN1C(=O)c2ccccc2[C@@]1(OCc1[nH]cnc1C)c1ccc(C(C)(C)C)cc1 35064434 PNNAWUIWZKMLQK-SANMLTNESA-N 417.553 5.299 0 1 HKAF COc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(Br)cc32)cc1 40876709 BHQGZMYIJIWWDI-MRXNPFEDSA-N 421.360 5.047 0 1 HKAF Cc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)Cc5c[nH]cn5)c4)c3)nc12 45202878 VGVVHQXURCTYHP-UHFFFAOYSA-N 407.477 5.110 0 1 HKAF Cc1cccc2nc(-c3cccc(-c4cccc(NC(=O)Nc5ccccc5)c4)c3)[nH]c12 45227241 YADOOJXJAMGHBU-UHFFFAOYSA-N 418.500 6.849 0 1 HKAF CCCOc1ccc(Oc2ccc(-c3ccc([C@H](C)NC(=O)C4CC4)cc3)cn2)cc1 45259834 JTYONEGOKGKLSZ-SFHVURJKSA-N 416.521 5.917 0 1 HKAF O=C(NCc1ccccc1N1CCCCC1)c1cncc(-c2ccc(Cl)cc2)c1 64527646 DDGYZFJJKXLJOG-UHFFFAOYSA-N 405.929 5.322 0 1 HKAF O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc(OCc3ccccc3)cc21 64540158 GLULRBYUKGYQKX-UHFFFAOYSA-N 419.480 5.662 0 1 HKAF CCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(CC)(c5ccccc54)[C@@H]3C2=O)cc1 68588156 BOFBVEYGRYDFAQ-IOXNAGQWSA-N 423.512 5.046 0 1 HKAF biogenic C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(C[C@@H]3CCCCO3)C[C@@H]21 73163518 RWRVBLQXKOJFGU-IIHSZXCVSA-N 406.492 5.354 0 1 HKAF Cc1cccc(-c2nc(N3CCCCC3)ncc2-c2ncc(-c3ccccc3)s2)c1 82173323 AJJAIKCJTLMHTD-UHFFFAOYSA-N 412.562 6.233 0 1 HKAF O=C(O)c1sc2c(Br)c(Br)sc2c1C(F)(F)F 84704761 YOUZNJOVMICQRC-UHFFFAOYSA-N 410.030 5.205 0 1 HKAF CCN(CC)C(=O)[C@H]1Sc2c(OC)cccc2-c2c1c1ccccc1n2CCF 96909191 OXJAIYUOGTVKNT-QFIPXVFZSA-N 412.530 5.302 0 1 HKAF CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc(C(C)C)cc1 100704853 VXMBAQOASSLVIL-QGZVFWFLSA-N 409.555 5.878 0 1 HKAF c1ccc(CN[C@H]2C3C[C@H]4CCC[C@H](C3)N4[C@H]2C(c2ccccc2)c2ccccc2)cc1 100714318 KQKNMRPRNMBGPX-BETQZWDCSA-N 422.616 5.992 0 1 HKAF COc1ccc(N[C@@H](c2ccccc2Cl)c2c(C)[nH]c3ccccc23)cc1OC 103244838 OZWVCWVKHSGKMU-DEOSSOPVSA-N 406.913 6.348 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccc3c(c2)OCO3)C[C@H](c2cccs2)C1 103971060 SCYAEIROVFUQQK-IZHWHUGBSA-N 416.502 6.106 0 1 HKAF O=S(=O)(c1ccc(F)c(F)c1)c1cnc2cc(F)ccc2c1-c1cccc(F)c1 115917120 KSWJSGUWPOWCDD-UHFFFAOYSA-N 417.383 5.291 0 1 HKAF C[C@H]1CN=C([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)CC1=O 153005859 FWDBSMPALVRXCP-GKCMGITRSA-N 413.646 5.692 0 1 HKAF CCCCC1([C@@H](O)/C=C/[C@@H]2CCC(=O)[C@@H]2CCCCC(C)(C)CC(=O)O)CCC1 169315231 GZVDKGJRCMHHOV-MFHOXIRPSA-N 406.607 5.921 0 1 HKAF O=C1CCCC[C@@]12[C@H](c1ccccc1)[C@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 169342274 OYVPINFOQJXIJW-KNZVSNRJSA-N 422.528 5.092 0 1 HKAF Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cccc(CCC(=O)O)c2)c1 211114880 FWHVGHVQDMHCRQ-UHFFFAOYSA-N 401.388 5.232 0 1 HKAF CC1(C)C=C2[C@H]3CC[C@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]4(C)[C@]3(C)CC[C@@]2(C)CC1 238771554 NQIUPAJMEMKVPU-HPWZHMHQSA-N 424.713 8.377 0 1 HKAF CC1=C2C3=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]4(C)[C@]3(C)CC[C@]2(C)CC[C@H]1C 257472505 LGVXVLHBYPSFGC-XFKCKCGISA-N 424.713 8.089 0 1 HKAF endogenous,in-man CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](OC(=O)/C=C/c3ccccc3O)CCC[C@@]21C 299867387 XWKSTYUCKZDLBW-QJFUPWOHSA-N 412.614 6.996 0 1 HKAF CCC(CC)CC1(O)CCN(C(=O)Nc2ccc(C)c(Oc3ccccc3)c2)CC1 299871963 ZOZWIRWQSWWBBT-UHFFFAOYSA-N 410.558 5.972 0 1 HKAF Nc1sc(-c2ccc(F)cc2)c(Cc2ccccc2)c1C(=O)c1ccc(Cl)cc1 473112153 DGJVQYRJVDBSMF-UHFFFAOYSA-N 421.924 6.612 0 1 HKAF Brc1ccc(Br)c2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc12 586887317 SWHXRYTUUIGVCK-XIKOKIGWSA-N 418.132 5.459 0 1 HKAF COc1cc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cc1Cl 586983014 SWYVFUMKLFSNNF-CQSZACIVSA-N 421.766 6.360 0 1 HKAF Cc1c(-c2ccc(OCC(F)F)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586985342 CFHYTVYKZBWNHU-UHFFFAOYSA-N 417.411 5.771 0 1 HKAF CCOc1cc2oc(=O)c(-c3nc4c(Cl)cccc4[nH]3)cc2cc1Br 586999059 UEMANCIKWWYJBV-UHFFFAOYSA-N 419.662 5.151 0 1 HKAF Cc1cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1Br 587080920 VKKAWRCIDJEAPK-CQSZACIVSA-N 403.711 5.011 0 1 HKAF Cc1nc(-c2ccc(F)cc2)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104726 VJCPTJXTQAWJJW-UHFFFAOYSA-N 422.484 6.684 0 1 HKAF CC(C)(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1c[nH]c2ccccc12 587108071 XYRSYOAQGZMHCG-UHFFFAOYSA-N 402.497 6.448 0 1 HKAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587149862 NSIVNEBRZLDTGZ-LJQANCHMSA-N 401.363 5.802 0 1 HKAF Cc1cc(Br)c2[nH]c(/C(=C/c3ccc(F)cc3)c3cccs3)nc2c1 587163782 KYSNTDZLPMBAIO-RVDMUPIBSA-N 413.315 6.423 0 1 HKAF COc1ccc(-c2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)s2)cc1 587207194 CIIBXIHNCAZFCN-UHFFFAOYSA-N 419.505 6.850 0 1 HKAF O=C1c2ccccc2-c2c(CC3OCCCO3)c(-c3ccccc3)nc3cccc1c23 587208887 DXKZFLSKCRDBIG-UHFFFAOYSA-N 407.469 5.419 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCc3c2[nH]c2ccc(F)cc32)[C@H]1c1ccc(F)cc1 587329098 CFKDOZYUXCGQSH-WIOPSUGQSA-N 417.411 5.352 0 1 HKAF CCCc1ccc([C@]2(CC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587353703 LPAKUEKSQIHTTD-RSXGOPAZSA-N 404.481 6.148 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CC[C@H]2OCc2ccccc2)[C@@H]1c1ccc(F)cc1 587356359 QERQUKIUZVXRKY-OYRHQHFDSA-N 404.437 5.008 0 1 HKAF COc1cccc(-c2cc(CCc3c[nH]c4ccccc34)nc3c2oc2ccccc23)c1 587362076 DBUCFQITXXNRHE-UHFFFAOYSA-N 418.496 6.923 0 1 HKAF COc1cccc(-c2cc(-c3cccc4c3NCCC4)nc3c2oc2ccccc23)c1 587363206 OWOZYOFNACWEJY-UHFFFAOYSA-N 406.485 6.682 0 1 HKAF COc1cccc(-c2cc(-c3c(C)nc4sccn34)nc3c2oc2ccccc23)c1 587365168 BBPRPDNNYGQTIN-UHFFFAOYSA-N 411.486 6.341 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3ccc(Br)cc31)CC2=O 587457771 MQKRHVSDLFAMBV-NRFANRHFSA-N 401.300 5.304 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(F)c(Br)c1)CC2=O 587467866 TWFPBAAOSRVWRJ-FQEVSTJZSA-N 407.279 5.517 0 1 HKAF COc1ccc2cc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2c1Cl 587500525 PMKYNKPMZMOYHW-RUZDIDTESA-N 406.909 6.261 0 1 HKAF O=C1C[C@@]2(C[C@@H](c3ccccc3O)Oc3ccccc32)Oc2c1ccc1c2CCCC1 587536969 ZRCJZDLHTXFVPV-BDYUSTAISA-N 412.485 5.656 0 1 HKAF CCC(C)(C)c1ccc(OCc2nc3cc(Br)cc(Cl)c3[nH]2)cc1 587564318 IRJMFCOLVFSOFG-UHFFFAOYSA-N 407.739 6.245 0 1 HKAF COc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 587601045 QBPUHTGMIMCOGQ-SQHAQQRYSA-N 424.452 5.771 0 1 HKAF Cc1cc(Cl)cc2c([C@H](C)CC(=O)O)c(-c3ccc(Br)cc3)[nH]c12 587623490 IHXOWSPCDQGSEI-SNVBAGLBSA-N 406.707 6.137 0 1 HKAF O=C(c1ccc(Cl)cc1)c1c(-c2ccccc2O)[nH]c2cc(Cl)c(F)cc12 587629094 UCVWNEZKTBXJHD-UHFFFAOYSA-N 400.236 6.217 0 1 HKAF CCCc1c(-c2ccc(Cl)c(Br)c2)[nH]c2ccc([C@H](C)CC)cc12 587639507 YLFSKQNKACRMJQ-CYBMUJFWSA-N 404.779 7.717 0 1 HKAF O=C(c1ccc(Cl)cc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587656913 LMIBLLDZCXVGGD-UHFFFAOYSA-N 413.235 5.198 0 1 HKAF Cc1ccc(Cl)cc1NC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661750 SXBVNQAEVWFCMA-UHFFFAOYSA-N 423.900 5.410 0 1 HKAF CCOc1cc(-c2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)ccc1C 587778314 LKGIIIWJXHQJBQ-UHFFFAOYSA-N 402.450 5.516 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)CCC[C@]31N[C@@H](C)Cc2ccc(F)c(Br)c21 587801229 DXGYVJBBKQHNOV-WHEQGISXSA-N 413.334 5.492 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccccc2)N1 587811712 OMDQWVVAWVMBAB-FPTDNZKUSA-N 412.302 6.004 0 1 HKAF C/C=C/[C@]1([C@@H]2C(C)=CCCC2(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814700 IIGJAQWHUDKTDE-GTDQZIJFSA-N 406.383 6.276 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccccc1-c1ccccc12 587828643 PDMMJRFNYASRHC-ZLOXQWCVSA-N 422.297 5.229 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc(Cl)s2)N1 587846579 IDTBZFBEVJNBDW-BMLIUANNSA-N 402.760 5.685 0 1 HKAF Cc1nc(-c2ccncc2)sc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587853710 QZXGHWUCFCHPPO-BTDLBPIBSA-N 418.335 5.039 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCN1CCCCCC1 587858975 DYJARKVUFDVCQG-UHFFFAOYSA-N 410.345 5.162 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(C(F)(F)F)cc1 587861306 RPZJXLOJVGNQKM-UHFFFAOYSA-N 414.305 5.285 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](CC)c1ccccc1 587863861 CCYXECUTCAIHDP-GOSISDBHSA-N 402.416 5.802 0 1 HKAF O=C([C@@H](Sc1ccccc1)c1ccccc1)n1nc2cc1Oc1ccc(F)cc1-2 587876891 XXCYGAXTECPISC-QFIPXVFZSA-N 402.450 5.969 0 1 HKAF COc1cccc(CCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1 587931127 LWXLHPXUEOFJJE-UHFFFAOYSA-N 417.347 5.544 0 1 HKAF CCCCOc1ccc(OCCCC)n1-c1cc(OC(C)C)c(Cl)cc1Cl 587943005 HOMHLCWAOHXUKD-UHFFFAOYSA-N 414.373 6.929 0 1 HKAF COc1cccc(-c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3)c3ncccc23)c1 653762407 XYVLITVGCYXABE-LOSJGSFVSA-N 408.501 5.330 0 1 HKAF CC(=O)N1N=C(c2ccc(-n3cccc3)cc2)C[C@H]1c1cccc(Oc2ccccc2)c1 653786500 CWHZOXUVRRCSFX-MHZLTWQESA-N 421.500 5.967 0 1 HKAF Cc1c(F)ccc2c1[C@@H](c1cnc(-c3ccc(Br)cc3)s1)NCC2 962372931 ICNSHSSAMZDXJT-GOSISDBHSA-N 403.320 5.255 0 1 HKAF Clc1nc(Cl)c([C@@H]2c3ccsc3CCN2Cc2cccnc2)c(Cl)n1 963000656 WGFOSNQRFRKECL-AWEZNQCLSA-N 411.745 5.041 0 1 HKAF Cc1sc2c(c1C)CCN[C@@H]2c1ccc(Br)cc1Br 963027629 QEMVYUPJTZWQBT-CQSZACIVSA-N 401.167 5.125 0 1 HKAF COc1cccc2cc3c(nc12)C1(CCC(C(C)(C)C2CCC(=O)CC2)CC1)NCC3 963044841 DSJPTSNCTVJGLP-UHFFFAOYSA-N 420.597 5.560 0 1 HKAF CCOc1cc(Br)c([C@H]2c3ccc(F)cc3C[C@H]3CCCN32)cc1OC 963101260 JSOSXEOMVJYODR-QVKFZJNVSA-N 420.322 5.105 0 1 HKAF Fc1cccc2c1[C@H](c1ncc(-c3ccc(Br)cc3)[nH]1)N1CCC[C@@H]1C2 963102105 KDPKYGDVCBUFKG-OXQOHEQNSA-N 412.306 5.088 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@]21CCCc2nc(-c3ccc(C)cc3)sc21 963256531 DEKAAPRKJWYYOV-HSZRJFAPSA-N 410.970 5.506 0 1 HKAF Cc1cc(-c2nc(-c3ccc(OC4CC4)c(C)c3)n3c2CCO[C@H](C)C3)cc(CF)n1 1772640806 AOKFYLVAJDLEJH-QGZVFWFLSA-N 421.516 5.201 0 1 HKAF O=C(NCc1c[nH]c2ccccc12)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1857556566 MVXMNXFMWLRHSR-UHFFFAOYSA-N 401.310 5.527 0 1 HKAF CC(C)[C@H]1COC(=O)N1c1cncc(N[C@@H](C)c2ccc(-c3ccccc3F)cc2)n1 1857647570 PDULISQLQIKBSO-HRAATJIYSA-N 420.488 5.437 0 1 HKAF CCOC(=O)c1c(C)oc2ncnc(Nc3ccc(OCc4cccc(F)c4)cc3)c12 1857654771 IPVBGOJIPZBSDK-UHFFFAOYSA-N 421.428 5.170 0 1 HKAF Cc1cccc(C)c1-c1noc(C(C)C)c1COc1ccc(CCCC(=O)O)cc1 1911570975 AQMUZRASDFXFDB-UHFFFAOYSA-N 407.510 6.068 0 1 HKAF COc1cc2c(c(C)c1-c1ccoc1)C[C@H]1[C@]2(C)[C@@H](O)C[C@H]2C(C)(C)[C@@H](O)CC[C@]21C 2356429528 YDLXVDBWQZWRFB-VSOFIYRMSA-N 424.581 5.262 0 1 HKAF CC(C)CCC[C@H]1C(=O)OC[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](O)CC[C@@]54C)[C@@H]2CC[C@@H]13 2356478458 FMGJZNYCKWFPAI-PUBNEIEISA-N 414.630 5.906 0 1 HKAF CCCCCC=CCC=CCCCCCCCC(=O)OC[C@H]1CO[P@](=O)(O)O1 2356516544 AZRMIMGGEACCGU-FQEVSTJZSA-N 416.495 5.859 0 1 HKAF CC(C)=C[C@H](O)CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccccc1)CC2=O 2356557452 OZGKAPGLVKJUDB-MBSDFSHPSA-N 408.494 5.010 0 1 HKAF CC(C)CC=C[C@@](C)(O)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356690117 NFWKUHWWUWPAOU-FKXAQJDESA-N 414.630 5.747 0 1 HKAF Brc1ccc(COCCc2cn(Cc3ccccc3)c3ccccc23)cc1 199265188 XTUBOQWFRCKKSN-UHFFFAOYSA-N 420.350 6.211 0 3 HKAF C=C[C@@]1(OC(C)=O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CCC23OCCO3)C1 3849937 KOBCGCROWPFVMN-VEIGCDBKSA-N 402.575 5.260 0 1 HKAF biogenic CC(C)CCNC(=O)c1ccccc1-c1ccccc1CNCCc1ccccc1 13493170 GZTYPOSUWPGFFZ-UHFFFAOYSA-N 400.566 5.462 0 1 HKAF CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CCC(=O)NC23CC4CC(CC(C4)C2)C3)C1 13579489 RJOKVGOOKXNBKF-AWZXEQOFSA-N 415.021 5.241 0 1 HKAF Cn1c(=O)n(C)c2cc(-c3[nH]c(-c4cccs4)nc3-c3ccccc3Cl)ccc21 14958471 MMXCRHIOXQKQPT-UHFFFAOYSA-N 420.925 5.316 0 1 HKAF COc1ccccc1-c1ccc2c(c1)C([C@H](C)OCCc1ccccc1)=CC(C)(C)N2 14968834 PPWNORQDTLXCGH-FQEVSTJZSA-N 413.561 6.598 0 1 HKAF Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)c2)o1 29131177 PGONBMCLDBGMIY-UHFFFAOYSA-N 417.896 5.604 0 1 HKAF CN1CCC[C@H]1CCNc1nc(Nc2ccc(C(F)(F)F)cc2)c2ccccc2n1 29203667 GMKUVQHPTNZMJJ-KRWDZBQOSA-N 415.463 5.288 0 1 HKAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=S)CC[C@@]4(C)[C@@H]3CC[C@]12C 29408885 UYQBCVKVDBCQNJ-WTNFDHGDSA-N 404.664 5.135 0 1 HKAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O[C@H](O)C(Cl)(Cl)Cl 31541381 JVLHMVXGPLKLFV-SVMUCYCZSA-N 419.776 5.322 0 1 HKAF in-man CC1=C(CC/C(C)=C/CC/C(=C/C[C@H]2OC(=O)C=C2CO)CO)C(C)(C)CCC1 34440888 VOZHIXNCTBMKNV-JTASSXHHSA-N 402.575 5.173 0 1 HKAF Cc1ccc(N[C@H](C(=O)CCc2ccncc2)c2ccccc2C)c(C(F)(F)F)c1 52595028 LKQIIIZDHHYDSW-QHCPKHFHSA-N 412.455 6.072 0 1 HKAF CCC(CC)(CNC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc(F)cc1 72113470 PVAVYAGOWAZKCO-UHFFFAOYSA-N 414.540 5.051 0 1 HKAF COc1ccc(Nc2cc(Nc3cccc(OC)c3)nc(NC3CCCCC3)n2)cc1 73164301 IQQWETRSALALPB-UHFFFAOYSA-N 419.529 5.726 0 1 HKAF C[C@@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccc(Br)cc1 73196517 VTYZEUQSJZUZBP-GFCCVEGCSA-N 409.287 5.266 0 1 HKAF C[C@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=C[C@@H]3O 78938549 RXMHNAKZMGJANZ-FRQBLCHNSA-N 418.662 5.332 0 1 HKAF in-vitro CCCCNC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 82145059 HAQWXGIWOXBEKK-OZROYSPXSA-N 420.601 5.465 0 1 HKAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2cccc(C)c2)C1 82145604 JBOIWEDWZMFDKG-PMACEKPBSA-N 406.574 5.093 0 1 HKAF Cc1oc(-c2cnc(NC3CCCC3)nc2-c2ccccc2F)nc1-c1ccccc1 82175045 ZBDYVEYXSXSGBZ-UHFFFAOYSA-N 414.484 6.268 0 1 HKAF O=C(OC[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc2ccccc2c1)c1ccccc1 100912744 JTWKFTQCKFYFJH-NIMKUQEDSA-N 409.529 5.563 0 1 HKAF Cc1ccc2nc(-c3ccccc3N3C(=O)CS[C@@H]3c3ccc(O)cc3)[nH]c2c1 103208351 FUOUCJXQDVTKRX-HSZRJFAPSA-N 401.491 5.023 0 1 HKAF CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2ccc(C)cc2)C2=C(O)CC(C)(C)CC2=N1 104004088 KYBAWLAKGKINFC-QHCPKHFHSA-N 415.537 5.781 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O 118925141 RIVQQZVHIVNQFH-VWNQJKBXSA-N 420.678 5.410 0 1 HKAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Oc3ccccc3)cc2)n1 142056179 HWEHCJGTUOBELY-LAUBAEHRSA-N 418.497 5.423 0 1 HKAF C[C@H](CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2C2CCN1CC2 143047123 IFRDFTURCPYECO-QGZVFWFLSA-N 421.556 6.265 0 1 HKAF Fc1cccc(CNc2cccc(-c3cc(N[C@@H]4CCCOC4)ncc3Cl)n2)c1 169703748 QFBJHWFOTMVPDR-QGZVFWFLSA-N 412.896 5.139 0 1 HKAF C[C@@H](CCc1ccncc1)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 221708761 LSCUPDKAFUIRHJ-CEXWTWQISA-N 405.582 6.904 0 1 HKAF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C(=O)n3ccc4ccccc43)CC[C@H]12 253861113 ZKJLGJLBCWOCRC-REHATERNSA-N 416.565 5.195 0 1 HKAF CC[C@H](/C=C/[C@H](C)[C@H]1CCC2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 255277507 WPBKHQNOGAVHPB-GCFXZEHPSA-N 412.702 7.945 0 1 HKAF CCOCc1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)o1 586903142 MBVNZIOJZKJTOT-UHFFFAOYSA-N 405.170 5.021 0 1 HKAF CC(C)Oc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587025807 IETXPHKEHVAHBM-WTOYTKOKSA-N 423.582 5.487 0 1 HKAF FC(F)(F)c1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cc1Cl 587028945 BZZYXPWKXMDYRN-UHFFFAOYSA-N 409.820 5.938 0 1 HKAF O=C(O)Cn1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c2ccccc21 587105368 ZVRJAQUOPBCWIU-UHFFFAOYSA-N 404.425 5.153 0 1 HKAF FC(F)(F)c1ccc(Oc2ccc(-c3nc4c(C(F)(F)F)cccc4[nH]3)cc2)cc1 587114758 YJZMVPPWUREYSE-UHFFFAOYSA-N 422.328 7.060 0 1 HKAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccnc(Cl)c2[nH]1 587121843 NGPHYJQYOSFJLX-UHFFFAOYSA-N 410.808 5.609 0 1 HKAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)cc2N1 587127124 RXCVKLWWWLFFFY-UPONEAKYSA-N 423.748 5.406 0 1 HKAF Fc1ccccc1-c1cccc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 587153503 SSHBQWCVSAPBCF-UHFFFAOYSA-N 402.654 5.847 0 1 HKAF FC(F)(F)C(F)(F)c1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cn1 587230394 UNJPZMOUWPOSFY-UHFFFAOYSA-N 419.357 5.286 0 1 HKAF Cc1ccc(C[C@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587355053 POLLHRKUWKYWLF-AZGAKELHSA-N 404.481 5.836 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(F)cc3)nc3cc(C)ccn13)O2 587384572 MTLHTCUOIJNYMQ-FQEVSTJZSA-N 401.441 5.046 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)O2 587384770 OXKKUWFTJXSOQV-QHCPKHFHSA-N 413.452 5.276 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(CSc4ccccc4)c(OC)c1)[C@@H](C2)C3=O 587449799 CYFIRLQIOSTUCC-CPJSRVTESA-N 418.514 5.485 0 1 HKAF CCCc1c(O)ccc2c1OC(Cc1ccccc1F)(Cc1ccccc1F)CC2=O 587465230 BYSNYPDECPNNJQ-UHFFFAOYSA-N 422.471 5.812 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(CC)oc3ccc(C(C)=O)cc13)CC2=O 587487365 ZITMOAOTIULYMS-RUZDIDTESA-N 406.478 5.737 0 1 HKAF Cc1ccc(Cl)c2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C(C)(C)C)[nH]c12 587496995 DEYZPMKRYFISPB-HXUWFJFHSA-N 421.968 7.013 0 1 HKAF O=C(O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c(F)c1 587506781 PHMPLNIUURFPAL-XMMPIXPASA-N 416.448 5.776 0 1 HKAF CCn1c2ccccc2c2cc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587514023 DSPGWBFVAHBPTF-MUUNZHRXSA-N 409.529 6.574 0 1 HKAF COc1cc(OCc2ccccc2)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587523599 KXFRLYKQWCGMMG-SANMLTNESA-N 414.501 5.860 0 1 HKAF O=C1C[C@@](c2ccc(Br)s2)(C2CC2)Oc2c1ccc1c2CCCC1 587533572 XKQYRPDUGAZSES-FQEVSTJZSA-N 403.341 5.660 0 1 HKAF CCCCCS(=O)(=O)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587533779 VUMVWCQZPWMCOO-QHCPKHFHSA-N 412.551 5.236 0 1 HKAF C[C@@]1(c2ccc(C(F)(F)F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550091 SRZIZIVSVCGLDC-RXVVDRJESA-N 418.342 5.427 0 1 HKAF Cc1cc2c(cc1Cl)[C@@]1(C=CO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551506 GDUUBTWWIDURSW-NZQKXSOJSA-N 406.821 5.117 0 1 HKAF C[C@]1(Cc2cc(Cl)cnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553187 UERRBFTYSQOWFY-DYESRHJHSA-N 416.260 5.057 0 1 HKAF CCCCCCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587597731 RSCFKKYOIZFVNB-ZEQKJWHPSA-N 418.489 6.054 0 1 HKAF CCCc1c(-c2ccc(Cl)c(Br)c2)[nH]c2ccc(F)c(Cl)c12 587627841 KKSLNQRVOOXNTH-UHFFFAOYSA-N 401.106 6.996 0 1 HKAF O=C(n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)C12CC3CC(CC(C3)C1)C2 587655683 FJYHCRWLLFAWRU-UHFFFAOYSA-N 420.459 5.198 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(C2CCCC2)N1 587704797 VRLQELYMIKGNJN-ASSNKEHSSA-N 422.769 6.210 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)(F)F)cc2)N1 587720889 OOZJTFAODYQZFK-JDNHERCYSA-N 404.201 5.110 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC(F)(F)F)c2F)N1 587721396 PUFLILZHKZNXGZ-ZKANADHPSA-N 422.191 5.250 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccccc3F)c2)N1 587725224 CKDRTHOJESTGMQ-DMZKTXOQSA-N 414.293 6.018 0 1 HKAF COc1cc2c(cc1[C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)CCCC2 587812026 YHMYUUXNBFZGBB-XUSGNXJCSA-N 404.323 5.099 0 1 HKAF C[C@@H]1C[C@H](c2ccccc2)C[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587816865 FEMNXIDBCDTBGL-CZFFTMAUSA-N 402.351 5.922 0 1 HKAF Cc1cccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 587821381 UNVLCSWQKFARQP-WNSKOXEYSA-N 410.330 6.187 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccccc3)s2)N1 587851224 BJAIAYAXGCQEOF-ADLMAVQZSA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1noc2ccccc12 587857860 AYJFBSFOQUGRAS-UHFFFAOYSA-N 416.264 5.280 0 1 HKAF CCCn1c(-n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)nc2ccccc21 587860341 RGIPOIFAWCXTBA-UHFFFAOYSA-N 415.324 6.005 0 1 HKAF Cc1cc(Br)cc2nc(CCCCCCCCCCCCC(=O)O)[nH]c12 587956614 GXNJOBOFQSARDY-UHFFFAOYSA-N 423.395 6.552 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c(C)nccc2[nH]1 587958218 CGNSVZCGWLSAGM-WGIJKTCHSA-N 417.641 8.121 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(N)ncc2[nH]1 587959301 LDRNENZNCQKENZ-WWMAXSSBSA-N 418.629 7.394 0 1 HKAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]1)(C3)C2 587969999 WVZKBRNYVWWGEH-JIIRDLKHSA-N 402.338 5.247 0 1 HKAF Cc1ccc(-c2ccnc(C(=O)Nc3ccc(Oc4cc[nH]c5nccc4-5)cc3)c2)cc1 653774573 QYSPZZFVHRDIAW-UHFFFAOYSA-N 420.472 5.930 0 1 HKAF Cc1ccc(Sc2nc3sccn3c2[C@@H]2NCCc3cc(C)c(F)cc32)cc1 962298507 MKPFGGSIASSSPM-LJQANCHMSA-N 409.555 5.538 0 1 HKAF c1cncc(CN2CCc3sccc3[C@@]2(CC2OCCO2)C2CCCCCC2)c1 963001348 ARIWCJVMFQBDJZ-XMMPIXPASA-N 412.599 5.130 0 1 HKAF CN1C(=O)C[C@H]2CN[C@@](C)(c3ccc(-c4ccc(Cl)cc4)s3)c3cccc1c32 963018801 CNVSBSXLNMHZHR-NPMXOYFQSA-N 408.954 5.385 0 1 HKAF O=C(Nc1ccc(Cl)cc1)Nc1ccc(OCc2nc3ccccc3s2)cc1 1857549063 GLQNBSIJIWJTAF-UHFFFAOYSA-N 409.898 6.173 0 1 HKAF Cn1ccc2cc(F)c(-c3ccc4ccn(Cc5cc(F)cc(C(=O)O)c5)c4c3)cc21 1857568100 RRTFHBDLLXKFTE-UHFFFAOYSA-N 416.427 5.825 0 1 HKAF CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@H]1C[C@H]1c1ccc(F)cc1 1857592755 HKDMXVFAYYQTRF-GGAORHGYSA-N 421.560 5.333 0 1 HKAF O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cc(Cl)cc(Cl)c1O 1911572037 NXPSNCHRVPDXAS-UHFFFAOYSA-N 408.668 6.397 0 1 HKAF CC(C)=CCCC(C)=CCc1cc([C@H]2COc3cc(O)ccc3C2=O)c(O)cc1O 2356431217 HGFVLVLDRQUNFD-OAQYLSRUSA-N 408.494 5.398 0 1 HKAF CC=C(C)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CCC(C)=CCO)[C@](C)(O)CC[C@H]21 2356432668 INBPZKYNDOCEIN-RSPHESMNSA-N 406.607 5.188 0 1 HKAF CC(=CC[C@@H]1OC(=O)C=C1C)CC[C@H]1[C@@]2(C)CCC[C@@](C)(C(=O)O)[C@H]2CC[C@@]1(C)O 2356458193 IYKWRWFFFLJWCZ-JPZOVFIFSA-N 418.574 5.033 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)C5=CC[C@]43C)[C@@H]2C1 2356471979 HANKWAXOCUEZTC-TZKQBIGCSA-N 422.697 8.297 0 1 HKAF CC[C@H](CCC(C)=C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356671519 BRVYWOZQRGZTAN-KMBXHFHBSA-N 412.702 8.089 0 1 HKAF CO[C@H]1O[C@@H](OC)C2=CCC=C(C)C[C@H](OC(C)=O)[C@H]([C@H](C)CCC=C(C)C)[C@@H]21 2356732776 VWHQXHJRUSIYEY-PIYILYQRSA-N 406.563 5.175 0 1 HKAF CO[C@H]1O[C@@H](OC)C2=CCC=C(C)C[C@H](OC(C)=O)[C@@H]([C@@H](C)CCC=C(C)C)[C@@H]21 2356732777 VWHQXHJRUSIYEY-SPGNEWTCSA-N 406.563 5.175 0 1 HKAF CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 4055509 CMQMUMGUIKCFGB-FYYLOGMGSA-N 406.913 5.501 0 1 HKAF CCOc1ccc(Cl)cc1OC[C@@H]1CN(Cc2ccc(Cl)cc2)CCCO1 13579691 DEKFKFAOVDZGOY-IBGZPJMESA-N 410.341 5.062 0 1 HKAF C[C@]12Cc3cn4c(nc3C[C@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12)nc1ccccc14 27204815 GIQHGRUKLUVHHK-CJVAYONRSA-N 415.581 5.201 0 1 HKAF COc1cccc2c1-c1ccc3c(c1[C@@H](CC=C1CCCC1)O2)C(C)=CC(C)(C)N3 29463351 CSSGFLAVSYCBQG-HSZRJFAPSA-N 401.550 7.294 0 1 HKAF CC(C)CSc1ccc(NC(=S)Nc2ccc(SCC(C)C)cc2)cc1 35001287 WFAGMYPEPRZCJS-UHFFFAOYSA-N 404.670 6.992 0 1 HKAF CCC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(OCc2ccccc2)cc1 38479976 FSEBRPCFGISMOH-OYKKKHCWSA-N 414.476 6.597 0 1 HKAF Cc1cc(C)c2nc(-c3ccncc3)cc(C(=O)Nc3ccc4ccccc4c3)c2c1 40391998 YZXHBUHLBUXXLU-UHFFFAOYSA-N 403.485 6.319 0 1 HKAF O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H](O)CC12CC3CC(CC(C3)C1)C2 40395054 HDAVZLDOGOUJJP-KENPWYROSA-N 405.538 5.172 0 1 HKAF Cc1cc(F)ccc1-c1ccc(C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cc1 40411671 NYRFRZQRJIRSDI-XMMPIXPASA-N 403.497 5.623 0 1 HKAF Cc1oc(-c2ccccc2)nc1C/C=C/c1ccc(C[C@@H](C(=O)O)n2cccc2)cc1 40915578 ZDSICGBVBMSSBE-UROCCOEBSA-N 412.489 5.576 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4ccc(CNCc5ccccc5)cc4)cc3)nc12 45187735 FKMGAXOJVPFKOT-UHFFFAOYSA-N 403.529 6.495 0 1 HKAF COc1ccc2cc(C(=O)Nc3ccc4c(c3)CCN(C3CCC3)CC4)ccc2c1 45228264 BCPMZWCMGZBMAU-UHFFFAOYSA-N 400.522 5.054 0 1 HKAF O=C(O)CCCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1 45350060 ONAGVLNKMZQLAH-UHFFFAOYSA-N 414.505 5.113 0 1 HKAF Cc1ccc2c(c1)CCN(c1nc(C(C)(C)c3ccc(F)cc3)nc(C)c1C)[C@H]2C 64549136 FOXQIJUIDNTMHP-IBGZPJMESA-N 403.545 5.991 0 1 HKAF O=C1CS[C@@H](c2cccs2)N1CCCNc1ccnc2cc(Cl)ccc12 72107208 GOYWVLORNJYXCU-IBGZPJMESA-N 403.960 5.026 0 1 HKAF COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 72136310 IGFYKKMUZDKYHU-XNNORVAKSA-N 403.607 5.055 0 1 HKAF CC[C@H](C)NC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccccc1F 82152346 OLOLEQDBAVXMJQ-AWEZNQCLSA-N 412.896 5.077 0 1 HKAF CC[C@H](C)Cn1c(-c2ccc(C)o2)nc2c(NCCc3cccc(F)c3)ncnc21 82179615 NUJPOPVMQXFDSI-HNNXBMFYSA-N 407.493 5.235 0 1 HKAF Nc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(F)c(Cl)c1 85679127 ATADURNMOMAGBL-UHFFFAOYSA-N 406.892 5.585 0 1 HKAF NC(=O)[C@H]1C[C@@H]1c1ccc(-c2nn(C3CC3)cc2Sc2ccc(Cl)cc2)cc1 96270415 JBSBOJRBMICSPP-MOPGFXCFSA-N 409.942 5.278 0 1 HKAF Cc1ccc(-c2cc(-c3cc(-c4cc(-c5ccc(C)cc5)on4)c(O)cc3O)no2)cc1 96930218 KGYVNUPNIIETTK-UHFFFAOYSA-N 424.456 6.359 0 1 HKAF CCOC(=O)/C(=C/Nc1ccc(Cl)cc1)c1ccc(OCc2ccccc2)cc1 101732400 WDKKIRQWNCTKKE-XQNSMLJCSA-N 407.897 5.935 0 1 HKAF Cc1ccc(-c2cc(-c3c(-c4ccccc4)[nH]c4ccccc34)c3c(N)n[nH]c3n2)cc1 103183246 XSXWRNCGIJOKEZ-UHFFFAOYSA-N 415.500 6.331 0 1 HKAF O=S(=O)(c1ccc(Cl)cc1)c1sc2ncccc2c1-c1cccc(Cl)c1 149338944 HRPRRKXOIKANDA-UHFFFAOYSA-N 420.342 6.103 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cnc(-c2ccccc2)s1 167044094 KECXYZQGQMUYCQ-GOSISDBHSA-N 408.523 5.081 0 1 HKAF CCCC[C@H](CC)OC(=O)[C@H]1CCC[C@@H](NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 169728069 DHMWTPQCLPNDHA-KVGTYJFOSA-N 418.622 5.325 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1CC3 255262289 RFSQQROZMSPZKI-HGIDJZBMSA-N 400.691 7.779 0 1 HKAF CC(=O)O[C@H]1CC[C@H]2[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)/C=C\CC(C)C)CC[C@H]32)C1 255271089 UCACJVAPKGZMLE-NEXQQKDZSA-N 414.674 7.425 0 1 HKAF OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2CCCSc1ccccc1F 299831510 QHLAPIQLWATZKM-QIDMFYOTSA-N 405.966 5.476 0 1 HKAF CCCCCOc1cc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2cc1Br 586903595 QGVMWCVGTURDCO-BEFAXECRSA-N 415.331 5.463 0 1 HKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(C(C)(C)C)cc2[nH]1 586982622 MVWBUYKFXGEFJH-KRWDZBQOSA-N 413.403 6.995 0 1 HKAF Cc1cc(C)c2nc(-c3cc(Br)c(Br)n3C(C)C)[nH]c2c1 587005006 IONYAUHYLMINQM-UHFFFAOYSA-N 411.141 5.754 0 1 HKAF Cc1c(Br)ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 587015691 HTUXKIAONMGBOJ-UHFFFAOYSA-N 404.720 6.078 0 1 HKAF Cc1cc(Br)cc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 587052114 ZQZKLLXKQFEDIG-UHFFFAOYSA-N 422.109 6.868 0 1 HKAF O=c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587052252 LWJFOTZIPIGUJK-UHFFFAOYSA-N 404.684 5.400 0 1 HKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2ncc(Br)c(C)c2[nH]1 587066000 CZMUPITUQBTTEN-UHFFFAOYSA-N 401.695 5.448 0 1 HKAF COc1cccc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c12 587071226 KZWHNIGVHVOKDK-INIZCTEOSA-N 401.894 5.033 0 1 HKAF Fc1ccc(F)c(SCc2cccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c2)c1 587140918 JBSOCTRXVDVESG-UHFFFAOYSA-N 421.299 7.107 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc4c(cc3[nH]2)OCCCO4)c1 587158780 IRPYDTZKHHUTOI-UHFFFAOYSA-N 404.441 5.130 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(Br)cc3[nH]2)c1 587196527 ZCSGLPVDRJFPTP-UHFFFAOYSA-N 416.319 5.672 0 1 HKAF Brc1cccc(-c2nnc(SCc3cc4c5c(cccc5n3)CC4)o2)c1 587216415 BFKLBPNFOHGRDD-UHFFFAOYSA-N 424.323 5.438 0 1 HKAF C[C@]1(c2cc(Cl)cc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327895 IBLACWGVEGXPHQ-RBBKRZOGSA-N 417.263 6.112 0 1 HKAF CC1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(F)cc2O1 587336658 QZLLFSHHLZCEKO-RCZVLFRGSA-N 422.427 5.486 0 1 HKAF C[C@@]1(CCSc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370384 VWZUECJXUMLHHL-UPVQGACJSA-N 408.494 5.831 0 1 HKAF Cc1nc(C(C)C)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587371351 BZJOPRFDDOPCHH-CVDCTZTESA-N 411.498 5.694 0 1 HKAF CCCc1c(O)ccc2c1OC1(CC2=O)[C@H](C(C)(C)C)CC(C)C[C@H]1C(C)(C)C 587487287 ZQWTWZYOPZHYAQ-NWJHQIBQSA-N 400.603 6.803 0 1 HKAF Cc1ccc(-n2nc(C)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2Cl)c(C)c1 587499896 NWKWHUVACUYCKE-JOCHJYFZSA-N 420.940 6.036 0 1 HKAF O=C1C[C@](c2ccc(Cl)cc2)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 587505008 KMRVQPLKPKYDDV-VWLOTQADSA-N 423.339 6.781 0 1 HKAF O=C1C[C@@H](c2cccc(-c3ccccc3C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587507367 LUDAUJLNBLKOBF-DEOSSOPVSA-N 422.446 6.958 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC=C(c1ccc(F)cc1)CC2 587572080 RGIHINLNPVBNAO-WIOPSUGQSA-N 402.421 5.499 0 1 HKAF CC(C)c1cc([C@@]2(C(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587608229 KEYMTZGVIGEPTD-ZEQKJWHPSA-N 418.489 5.734 0 1 HKAF CCc1ccc(NC(=O)c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 587626799 XNWWKYNXENTFQQ-UHFFFAOYSA-N 414.349 6.329 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(Br)ccc3O)c(CC(=O)O)c2c1 587639466 WYNBQLFOIUZXSG-NSHDSACASA-N 402.288 5.444 0 1 HKAF CCOC(=O)c1ncn(-c2c(-c3cccc(Cl)c3)[nH]c3ccc([C@H](C)CC)cc23)n1 587641606 NLKOCQTZNLOOQD-CQSZACIVSA-N 422.916 5.759 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CC=C(Br)CC2)N1 587684935 RMMOXPWYYMMBNW-HSOHIQCKSA-N 417.160 5.417 0 1 HKAF COc1cc(Cl)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587691579 GOZWYNXZMDOTOK-RBHXEPJQSA-N 419.121 5.527 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)[nH]c3ccc(Cl)cc23)N1 587694950 HUBXRKWFTNQJKW-CQLKUDPESA-N 409.686 5.052 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ccc3ccncc23)N1 587699926 SZZAPKIPHAUONJ-DGIBIBHMSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2ccc(Cl)cc2)N1 587700736 LYMRMWQXMHHHMT-WLRWDXFRSA-N 410.714 5.264 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)(F)F)nc2Cl)N1 587713292 MXQXCUJDALATQW-JKYUHCHBSA-N 423.635 5.279 0 1 HKAF Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1C 587756491 RQVIBASZEJVCAR-QKVFXAPYSA-N 401.323 5.186 0 1 HKAF CCc1ccc(-c2cnc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 587772740 GPXABBTZWVNKRF-YUNKPMOVSA-N 415.306 5.429 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccncc2)(c2ccccc2)N1 587780288 ZVXXCBBIBQEEEG-NYHFZMIOSA-N 411.318 5.004 0 1 HKAF COc1ccc(-c2cccc(-c3nc4ccc(F)c(Br)c4[nH]3)c2)cc1O 587787741 XQDHNYQYTOCFOY-UHFFFAOYSA-N 413.246 5.513 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)C[C@@]1(CC3)N[C@H](C)Cc2ccc(F)c(Br)c21 587801220 DUBZAFWHVXYGED-MCMMXHMISA-N 413.334 5.296 0 1 HKAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)(C)C 587807020 LGIXMHAUDTXTBQ-ODXCJYRJSA-N 406.339 5.518 0 1 HKAF CCc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 587828542 ODLSGVUWQHFXNK-WHEQGISXSA-N 414.318 6.034 0 1 HKAF Cc1cc2c(cc1C)[C@@]1(CCCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587835292 OYVHBVNPCNFEAS-SZNDQCEHSA-N 404.323 5.155 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCSc3c(Cl)cccc32)N1 587857816 NHUWWKAXLNCJLL-MLCYQJTMSA-N 412.755 5.515 0 1 HKAF Oc1ccc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c2ccccc12 962650078 YCHRJJDRLJGOMW-RBISFHTESA-N 406.529 5.382 0 1 HKAF C[C@H](Oc1cccc(Cl)c1)[C@]1(C)c2cccc(F)c2CCN1[C@H]1CCSC1 962701513 GRWJZUVQUXVEGC-GIMINZRKSA-N 405.966 5.525 0 1 HKAF CC(C)(C)c1ccc([C@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)s1 962950101 DYPHFDVAQOKHDU-IBGZPJMESA-N 409.517 5.805 0 1 HKAF C[C@@H](CCNC(=O)OC(C)(C)C)C[C@@]1(C)NCCc2c(Cl)cc(Cl)cc21 963115289 ZZPMXPBJACINPC-RNODOKPDSA-N 401.378 5.295 0 1 HKAF CC(C)(O)c1cc2c(-c3ccc(NC(=O)OCc4ccccc4)cc3)nccc2[nH]1 1772575171 PEVFGAVFYPALBF-UHFFFAOYSA-N 401.466 5.206 0 1 HKAF CCOP(=O)(OCC)[C@H](N(O[C@H](C)c1nccn1C)C(C)(C)C)C(C)(C)C 1857542153 INXHFCOUUUGHJG-WBVHZDCISA-N 403.504 5.152 0 1 HKAF CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN4CCCC4)c4ccccc43)CC2)CC1 1857593936 NGKDULCWDLWYAO-QUPDYRNUSA-N 407.646 6.089 0 1 HKAF COc1ccc(C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2c2ccc(F)c(F)c2)cc1 1857620902 APZUHYITGIWJGL-DEOSSOPVSA-N 418.443 5.243 0 1 HKAF O[C@H]1CNCCC[C@@H]1n1c2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21 1857749675 SCGIPTPYXPTGLO-ROUUACIJSA-N 416.365 5.118 0 1 HKAF CC(=O)Oc1c(C(C)C)cc2c(c1OC(C)=O)[C@@]13CCCC(C)(C)[C@H]1C[C@H]2OC3 2356337881 GINOEDXLNMHUDV-KHCICDEESA-N 400.515 5.200 0 1 HKAF CC[C@H](CC[C@H](C)C1=CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 2356490174 YZASEYYDJZZZHQ-UYVCEXMVSA-N 412.702 7.945 0 1 HKAF COc1cc2cc3c(c(O)c2c(O)c1CC=C(C)CCC=C(C)C)C(=O)C[C@](C)(O)C3 2356573581 SVQACLMZZRRXPC-AREMUKBSSA-N 424.537 5.375 0 1 HKAF CC(C)[C@@H]1CC[C@@H]2[C@@H]1CC[C@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C 2356615016 RNHGVUKUAAZWMB-STINNIIXSA-N 412.702 7.635 0 1 HKAF CC[C@H](C)CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]12C 2356658187 JBMWFOFITHEFEY-HKDCSARZSA-N 404.635 6.462 0 1 HKAF CC(C)[C@]1(C)N=C(C(F)(F)F)c2cc(C(=O)C(F)(F)F)c3ccccc3c2N1 1656693 DHOGJOPTAKYHTD-KRWDZBQOSA-N 402.338 5.734 0 1 HKAF O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1O 13555559 VHGBUUZWZICPOX-UHFFFAOYSA-N 418.120 5.989 0 1 HKAF Cc1ccc2c(c1)[C@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1CO2 13735188 YWSSYWJZXZVLJS-AREMUKBSSA-N 413.561 6.905 0 1 HKAF O=C1c2cccc(OCc3ccccc3)c2Cc2c(OCc3ccccc3)cccc21 27201193 KNRXIDIOQAZEIT-UHFFFAOYSA-N 406.481 5.980 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc(Sc2ccccc2)c1O 28892026 IWLRMRQBLBRVEA-ISCKJPLLSA-N 422.634 7.590 0 1 HKAF COc1ccc(CSc2nnc(-c3ccc4ncccc4c3)o2)cc1C(F)(F)F 40395772 NLWJVZZIESQUMA-UHFFFAOYSA-N 417.412 5.605 0 1 HKAF O=C(NCCc1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccc(O)cc1 45495739 GLHJKBCQHJHQMW-UHFFFAOYSA-N 407.513 5.086 0 1 HKAF COc1ccccc1-c1noc(-c2ccc(N3CCCC[C@@H]3C)c(C(F)(F)F)c2)n1 59226186 GKORUIGMJCLDBE-AWEZNQCLSA-N 417.431 5.810 0 1 HKAF COCCCCC12CCC(c3nnc(-c4ccccc4C(F)(F)F)n3C)(CC1)CC2 71319277 BQIIPZMTXFQIQG-UHFFFAOYSA-N 421.507 5.910 0 1 HKAF CCN(CC)CCCNCc1nccc2c3ccccc3n(Cc3ccccc3)c12 72105092 XOTUKFUHFKOXRB-UHFFFAOYSA-N 400.570 5.059 0 1 HKAF N=C(Nc1ccc(Oc2ccc(NC(=N)c3ccccn3)cc2)cc1)c1ccccn1 84688270 PJUDOZBGPWFFCJ-UHFFFAOYSA-N 408.465 5.144 0 1 HKAF O=C(CSc1nncnc1-c1ccccc1Cl)c1ccc(Cl)c(Cl)c1 95560746 GPBVVPSXCCJGSU-UHFFFAOYSA-N 410.713 5.474 0 1 HKAF Fc1ccc(Cl)c(-c2nnc(-c3cc(Br)c(Br)[nH]3)o2)c1 95572501 OTBNPXBIJLEUEJ-UHFFFAOYSA-N 421.451 5.049 0 1 HKAF O=C(c1ccc(-c2ccccc2F)cc1)c1cc2cc(-c3ccccc3F)ccc2o1 103181989 YSJWEDKIWRSXAC-UHFFFAOYSA-N 410.419 7.276 0 1 HKAF CN(c1ccccc1)c1cc(C(=O)O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1 114593572 AAXCDNZPSDRTGR-UHFFFAOYSA-N 414.436 6.146 0 1 HKAF CC(C)c1ccc(NC(=O)[C@H](CC(=O)c2ccc(C(C)C)cc2)N2CCCCC2)cc1 169333761 RZYUAEAXADYRLK-VWLOTQADSA-N 420.597 5.999 0 1 HKAF Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@@H](Cn2nc(-c3ccccc3)cc2C)CC1 169706546 UTRUIFXMYSIHGC-XGAFWQRZSA-N 422.960 5.204 0 1 HKAF Cc1cc(F)ccc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1 204543092 QKIAJKOHCOBJQP-UHFFFAOYSA-N 406.413 5.090 0 1 HKAF CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 255225919 LGJMUZUPVCAVPU-GALOUQHOSA-N 416.734 8.105 0 1 HKAF CC(C)c1cc(C(C)C)c(S(=O)(=O)n2cnc3cc(Cl)ccc32)c(C(C)C)c1 299859230 FNLZFUCEVIIBJH-UHFFFAOYSA-N 418.990 6.297 0 1 HKAF C[C@@]1(c2ccccc2)N[C@@H](c2ncc(-c3ccc(F)cc3)[nH]2)Cc2c1[nH]c1ccccc21 473126388 SKXFCOJKQNLPGO-KCWPFWIISA-N 422.507 5.848 0 1 HKAF O=C(c1ccccc1-c1cccs1)N1[C@H]2CC[C@H]1[C@@H](COc1ccc(F)cn1)C2 473179394 JIEFEDOEWSOKJT-SYNHAJSKSA-N 408.498 5.021 0 1 HKAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(F)c(F)c4[nH]3)c(=O)oc2c1C 586919068 YPYREGMHJZBHBB-UHFFFAOYSA-N 424.447 5.500 0 1 HKAF COc1cc(/C=C\c2nc3ccc(Cl)c(C)c3[nH]2)cc(Cl)c1OCC(C)C 587046853 NKAJKOSUWYANGG-YVMONPNESA-N 405.325 6.392 0 1 HKAF Cc1c(Cl)ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 587055504 HYILWQLBKGKBCN-UHFFFAOYSA-N 407.684 6.671 0 1 HKAF Cc1nn(-c2cccc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2)c(C)c1Cl 587064425 AYZLOICSUGZPCA-UHFFFAOYSA-N 406.852 5.011 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccnc(Cl)c4[nH]3)c(Cl)cc12 587078635 XZLMNFRLHBZJPO-SNVBAGLBSA-N 418.280 5.464 0 1 HKAF CC(C)(C)c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2n1 587116956 NLHYXFJLSRVRNE-UHFFFAOYSA-N 411.859 5.244 0 1 HKAF Fc1cc(Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)ccc1-c1ccccc1 587145981 YMSOKXSPVSWQOS-UHFFFAOYSA-N 408.476 6.539 0 1 HKAF CC(C)(C)c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2n1 587184782 WHTUVBMDQOBJLU-JXMROGBWSA-N 403.267 5.030 0 1 HKAF CC(C)(C)OC(=O)N[C@H](c1nc2cc(F)cc(Br)c2[nH]1)C1CCCC1 587225527 LKYDIOYDNZMCLA-AWEZNQCLSA-N 412.303 5.221 0 1 HKAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1 587233437 PMDYLZKJKWNULA-RYUDHWBXSA-N 401.454 5.336 0 1 HKAF CCc1nc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2o1 587348365 RKVATMZCDCLCJJ-WIOPSUGQSA-N 417.436 5.509 0 1 HKAF CC(C)Sc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587369323 FXCVFQKNTCSONB-ILBGXUMGSA-N 422.521 6.306 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ccccc3)c(Br)c1)O2 587376598 JSSUVIJFFAVXPN-NRFANRHFSA-N 424.294 5.839 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccc(Oc4ccc(C(C)(C)C)cc4)c1)[C@@H](C2)C3=O 587443146 OXVVYOBSAVJHSP-NVQXNPDNSA-N 414.501 6.274 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(F)c(C(F)(F)F)c(F)c1)CC2=O 587462789 SYXWIXGLZQHJTQ-IBGZPJMESA-N 400.343 5.522 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc3ccccc3c1)CC2=O 587479654 IWEGVENQDZIIPV-SANMLTNESA-N 418.489 5.312 0 1 HKAF O=C1C[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587502839 BMCDGAASQSINME-GOSISDBHSA-N 414.345 6.310 0 1 HKAF O=C1C[C@@H](c2cccn2-c2ccc(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 587503871 HCFABRBLGLTHBI-QFIPXVFZSA-N 412.316 6.369 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C(F)(F)F)cnc1Cl 587549583 QYIUGMCOVKJKRM-CRAIPNDOSA-N 421.758 5.162 0 1 HKAF Cc1cc(OCCc2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)ccc1Cl 587621992 SSOKNXOMJYKWQE-UHFFFAOYSA-N 418.722 5.698 0 1 HKAF Cc1ccc(NCc2c(-c3ccc(Br)cc3)[nH]c3cc(F)ccc23)cc1 587632056 CHIFKVIRFGCMKU-UHFFFAOYSA-N 409.302 6.657 0 1 HKAF Cc1ccc2nc(C)c(Cc3c(C)[nH]c4ccc(S(C)(=O)=O)cc34)c(Cl)c2c1 587648735 GWTBEQRNMJIBJP-UHFFFAOYSA-N 412.942 5.289 0 1 HKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncc(C(F)(F)F)cc1Cl 587657841 AVQBADGYJTVKKC-UHFFFAOYSA-N 419.765 5.259 0 1 HKAF CCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587691249 ADVFCMMUXCDTOM-WYRIXSBYSA-N 412.730 5.654 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)F)c(Cl)c2)N1 587717564 LRYWWTRKCBFAEW-PWJLMRLQSA-N 420.656 5.467 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(F)cc3F)o2)N1 587723692 BRNWQPWTSSDBEL-SBKAZYGRSA-N 422.244 5.750 0 1 HKAF COc1ccc(C[C@H](C)[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587724427 HXSOWFJHUQUSBU-ZBUHCNDUSA-N 410.302 5.190 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Br)c2F)N1 587726518 JPBZPNZWPIGSGT-BCTVWOGZSA-N 417.091 5.113 0 1 HKAF FC1(F)Oc2cc3nc(/C=C\c4ccc(OCc5ccccc5)cc4)[nH]c3cc2O1 587785179 XXBDBBKEDNWVEP-FLIBITNWSA-N 406.388 5.634 0 1 HKAF CCCCCc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587814005 FICAKZQLWAYJRC-NYHFZMIOSA-N 404.367 6.119 0 1 HKAF Cc1cc(C)c2cc([C@@H]3N[C@@H](C(=O)O)Cc4ccc(Cl)c(C(F)(F)F)c43)[nH]c2c1 963179505 LYGWWWGGWKCLOB-APWZRJJASA-N 422.834 5.145 0 1 HKAF O=C(O)c1noc(-c2ccccc2)c1-c1cccc(-c2cc(Cl)cc(Cl)c2)c1 1857762019 KFVNPLSZKCTJMO-UHFFFAOYSA-N 410.256 6.681 0 1 HKAF CO[C@@H]1OC(=O)C2=C1CC[C@@H]1[C@]3(C)CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C 2356498173 LIUVCTFOPNCVFW-GAKTYLJNSA-N 416.602 5.242 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356569092 IGLXIHMNQDKKLE-VYBDAUMLSA-N 416.690 6.606 0 1 HKAF CC1(C)O[C@H]2C[C@H](CCc3ccccc3)OC(=O)[C@@]2(C)[C@@H](C=Cc2ccccc2)O1 2356654804 KUVJTOPFKQLXGB-LNEBKTTKSA-N 406.522 5.175 0 1 HKAF CCCCC[C@H](O)C[C@H](CCc1ccc(O)c2c1CC[C@H]1CCC[C@H]1O2)OC(C)=O 2356772868 KZNRSMJFGRHLFU-MDAIXWLXSA-N 418.574 5.082 0 1 HKAF CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCc1ccc(OCC)cc1 4217086 KYKFITCQGWEZNH-LOSJGSFVSA-N 422.569 5.458 0 1 HKAF Cc1ccc(SC[C@@H](CC(C)C)N2CCN(CCc3ccccc3)CCC2=O)cc1 13830496 YRFNTVOZZFJNMD-XMMPIXPASA-N 424.654 5.279 0 1 HKAF CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(OC)c(C)c1 13831900 NTWQDHAGBQVOEJ-CPNJWEJPSA-N 424.566 5.363 0 1 HKAF CCC/C=C(\CCC)C1=C(c2cccc(OC)c2)[C@]2(Nc3ccccc3)CCC[C@@H]2C1 14978524 GSTOIGLOVQJJBQ-HAZJLTIJSA-N 415.621 8.030 0 1 HKAF CCc1nc2c(C)cc(C)nc2n1Cc1cc(Br)cc(Br)c1 26252845 HGYTXKMHWGTDDL-UHFFFAOYSA-N 423.152 5.184 0 1 HKAF O=C(c1ccc(Nc2ccc(F)cc2F)nc1)c1cc(Br)ccc1Cl 27186849 WXZVFOFKNWJTKX-UHFFFAOYSA-N 423.644 5.750 0 1 HKAF COc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C3CCCCC3)N2CC2CCC(C)CC2)cc1 27212019 OPNCBMYHRCYEGA-ZPOFDXGNSA-N 423.645 5.369 0 1 HKAF C(=C/c1ccccc1)\CN1CCN(CCCn2c3ccccc3c3ccccc32)CC1 40860612 XBAPPCNAORMABI-XYOKQWHBSA-N 409.577 5.516 0 1 HKAF CCSC(=S)SCC(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2)s1 40936239 PHRZHWJJTXWEKH-LBPRGKRZSA-N 409.623 5.193 0 1 HKAF CC1=CC2=NC[C@@H](C(=O)c3ccc(-c4ccc(Br)cc4)cc3)CN2C(C)=C1 43065717 XSSPZNFANZSTAS-HXUWFJFHSA-N 421.338 5.493 0 1 HKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C[C@]2(O)c1ccnn1C 45168071 HEESPKVKRSKCJE-SRGWNRLKSA-N 400.563 5.243 0 1 HKAF N=C(NCCCCCCCCCCCCNC(=N)c1ccccc1)c1ccccc1 64548764 TVFUGRPSRNLGGK-UHFFFAOYSA-N 406.618 6.118 0 1 HKAF Cn1c(-c2ccc(-c3cnccn3)cc2F)nnc1C1(c2ccc(Cl)cc2)CCC1 71330044 PLKKSSJPSJWGPI-UHFFFAOYSA-N 419.891 5.202 0 1 HKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(OCC(=O)c3ccccc3)cc2)n1 72182769 FIROQHKSJZXONO-LJQANCHMSA-N 406.526 5.662 0 1 HKAF Cc1nc(-c2cnc(NCCOc3ccccc3)nc2-c2ccccc2)sc1C 82162761 UMBRFRIWDOHIDZ-UHFFFAOYSA-N 402.523 5.375 0 1 HKAF CCOP(=O)(OCC)[C@H](Cc1ccccc1F)c1sc2ccccc2c1C 84616174 MTNMJYZTAKIWAW-LJQANCHMSA-N 406.459 6.899 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1[C@H]1SCC(=O)N1c1ccc(F)cc1 95560475 FFSKXFLVUICSHT-LJQANCHMSA-N 404.919 5.690 0 1 HKAF CCCn1c(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1Cl 95575646 IEGRVLKSKLLSLS-UHFFFAOYSA-N 419.908 6.669 0 1 HKAF Cc1cccn2c([C@H]3C=C(c4ccc(F)cc4)NC(=S)N3)c(-c3ccccc3)nc12 95585993 WCVQJNFXEKXMAW-HXUWFJFHSA-N 414.509 5.009 0 1 HKAF CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccccc2)C2=C(O)CCCC2=N1 104689726 UXXMMINZQZDYPH-OAQYLSRUSA-N 415.518 5.743 0 1 HKAF O=C(O)c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2Oc2ccc(F)cc2)cc1 143176480 MECYBMKMICVTAK-UHFFFAOYSA-N 420.223 5.875 0 1 HKAF CC1(C)OC(=O)C=C[C@@]2(C)[C@@H]1C[C@@H](O)[C@@]1(C)C3=CC[C@@H](c4ccoc4)[C@]3(C)CC[C@H]21 238736210 ZPDGIAXQQRWSBB-BIXFHMGDSA-N 410.554 5.395 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@@H]4[C@@H]3CC[C@@]21C)C(C)C 255270336 TYHDDVWLDIHZHW-XHRIUOSRSA-N 402.707 7.715 0 1 HKAF CCCCCn1cc2c(=O)n(CCC34CC5CC(CC(C5)C3)C4)nc-2c2ccccc21 299861929 MEMYCONPATVETI-UHFFFAOYSA-N 417.597 6.100 0 1 HKAF CC(C)(C)c1ccc(C(=O)c2cc(O)c(-c3cc(Cl)cc(Cl)c3)c(O)c2)cc1 473090858 AXKICXNQSRTDMD-UHFFFAOYSA-N 415.316 6.600 0 1 HKAF C/C=C/COc1ccc(Cc2c(C)nc3ccc(O)c4c3c2-c2ccccc2C4=O)cc1 586992158 PFRNWVKXLYYXJE-ONEGZZNKSA-N 421.496 6.006 0 1 HKAF O=C1c2ccccc2-c2cc(-c3csc(Br)c3)nc3ccc(O)c1c23 586993976 NLDVJZUSXRFPDQ-UHFFFAOYSA-N 408.276 5.643 0 1 HKAF Brc1ccc(-c2ccc(/C=C/c3nc4c(cnc5ccccc54)[nH]3)o2)cc1 586999164 XKUOQULQMKCERR-ZRDIBKRKSA-N 416.278 6.304 0 1 HKAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cccc(O)c2[nH]1 587018790 PJAPFNFZUKNXMW-UHFFFAOYSA-N 404.322 6.025 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c(-c3ncsc3-c3ccccc3)nc2c1 587028101 OEBLZQBGAYVTBX-UHFFFAOYSA-N 424.245 6.135 0 1 HKAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cnc5ccccc5c4[nH]3)c2C1 587033561 IPQDLZVPVHZOHV-UHFFFAOYSA-N 406.511 5.133 0 1 HKAF Clc1cccc(/C=C/c2nc3ccc(I)cc3[nH]2)c1Cl 587055557 UZULXKGDWALAON-QPJJXVBHSA-N 415.061 5.645 0 1 HKAF Nc1ncc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(-c2ccccc2Cl)n1 587060352 CFSZLHKIIUHUSF-UHFFFAOYSA-N 424.213 5.595 0 1 HKAF COc1cc(OC)c2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc2c1 587083002 YNSBKDMYKFCKIW-UHFFFAOYSA-N 415.880 6.116 0 1 HKAF CC(C)Oc1cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2cc1Br 587088390 ZHQMUAJCPXIMDL-UHFFFAOYSA-N 404.695 5.914 0 1 HKAF Cc1cc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc2cc1Cl 587114465 UWSMQAPDNWHZNJ-UHFFFAOYSA-N 402.803 7.003 0 1 HKAF Fc1ccc(/C=C\c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(F)c1 587149588 NLAXOQJUIQSDFN-KXFIGUGUSA-N 403.148 5.793 0 1 HKAF O=C1C[C@@H](c2nc3ccc(Oc4ccccc4)cc3[nH]2)CN1Cc1ccc(F)cc1F 587151435 ZOMZHGQTMOIGOO-MRXNPFEDSA-N 419.431 5.150 0 1 HKAF COc1cccc(-c2cc(F)cc(-c3nc4cc(Br)cc(F)c4[nH]3)c2)c1 587160070 FFHWMFQPGAVTMX-UHFFFAOYSA-N 415.237 5.946 0 1 HKAF Clc1cnc(Cl)c2[nH]c(/C=C/c3cccc(I)c3)nc12 587184751 VNMKCHODLPQUFY-SNAWJCMRSA-N 416.049 5.040 0 1 HKAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(Cl)c(Cl)cc4[nH]3)c2)c1 587232180 MRCJUQDQJRBWCI-UHFFFAOYSA-N 410.304 5.487 0 1 HKAF O=C1c2ccc(O)cc2O[C@](Cc2ccccc2F)(C2CC2)[C@@H]1c1ccc(F)cc1 587331857 KFTOBGZVJCIQTC-ILBGXUMGSA-N 406.428 5.421 0 1 HKAF C[C@@]1(C(=O)c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332707 RTOGBAAEAOLMER-NFBKMPQASA-N 410.828 5.185 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(Cl)cc3)[nH]c3ccccc13)O2 587380582 WNSIYZWMHFIDQE-NRFANRHFSA-N 402.881 6.085 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O 587446380 VZXDPIBNGIIMBY-ABYGYWHVSA-N 418.492 6.053 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(N)cc1)(c1cc3ccccc3o1)CC2=O 587473222 RGVLDLRZRZRFMV-AREMUKBSSA-N 413.473 5.582 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCc3ccccc3)cc1)CC2=O 587477421 CCHDYVAKFKLNLN-VWLOTQADSA-N 402.490 5.673 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1coc3c1cc(O)c1ccccc13)CC2=O 587480802 LBAQESVXCXICQS-RUZDIDTESA-N 402.446 5.830 0 1 HKAF Cc1ccc(-c2ccc(OC[C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 587520814 GACOGJSAEKGAHW-NDEPHWFRSA-N 412.529 6.344 0 1 HKAF Cc1ccc(Br)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587540357 NUEPCUYLTSKOJJ-GHTZIAJQSA-N 411.251 5.166 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(C(F)(F)F)cnc1Cl 587549585 QYIUGMCOVKJKRM-QAPCUYQASA-N 421.758 5.162 0 1 HKAF COc1ccccc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587599914 IXCQFDDWOFVLDN-SQHAQQRYSA-N 424.452 5.771 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncc(Cl)cc2Cl)N1 587692035 AMTLQJZBVXLCSA-ZKANADHPSA-N 404.110 5.088 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(Cl)c(Cl)c2)N1 587693212 IYBLBVZMKVPTJQ-YPMLDQLKSA-N 417.149 5.887 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc(C(F)(F)F)cc2F)N1 587715254 XQJXFCPDDQBEDH-HYORBCNSSA-N 424.182 5.509 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(F)cc3)s2)N1 587737068 WBTDWXXWDIRUMM-GIPWTMENSA-N 420.322 6.079 0 1 HKAF CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(C)C 587797823 XLSWVEAOIJZFNC-ZSEKCTLFSA-N 422.338 5.398 0 1 HKAF Cc1ccc(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587799549 XUCSCDIQXUIKNN-LRTDBIEQSA-N 414.322 5.219 0 1 HKAF COc1ccc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 587804223 AGKOROYTXPKWKD-XUSGNXJCSA-N 400.291 5.374 0 1 HKAF CCc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)oc2ccc(C)cc12 587827531 JYOPWUXYSZSXHY-XMHCIUCPSA-N 416.334 6.003 0 1 HKAF COc1ccc2c(C)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)oc2c1 587828958 PHXSWWHZBKESFZ-APBUJDDRSA-N 404.279 5.275 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2cccc(F)c2s1 587862634 SRPOONSFBJWLCG-UHFFFAOYSA-N 420.387 5.620 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C(C)(C)c1ccccc1 587864761 OSHAGIGBIAXRGI-UHFFFAOYSA-N 402.416 5.586 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C12CC3CC(CC(C3)C1)C2 587866157 WCCXJZHFSONUJA-UHFFFAOYSA-N 418.459 5.824 0 1 HKAF CC(C)c1cc(OC(C)(C)C)n(-c2nn(COc3ccccc3F)cc2Cl)c1O 587946185 REXLFOZPMLJXKC-UHFFFAOYSA-N 421.900 5.509 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c[nH]c(=N)[nH]c-2n1 587962552 YNJOIVVRMKWPCM-RCHUDCCISA-N 419.617 6.571 0 1 HKAF C[C@@H]1CC=CC[C@H]1c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587966325 CYCZJMBWSNPLHQ-TZMCWYRMSA-N 417.406 6.043 0 1 HKAF Cc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2S(C)(=O)=O)cc1 618016483 NQQAXBKYOZLKOO-QFIPXVFZSA-N 410.539 5.221 0 1 HKAF COc1ccc2c(c1OC)[C@@](CCc1cccc(C)c1C)(C1CCCC1)N(C)[C@@H](C)C2 962619529 DDDCIMGKHUPAJW-WTYVLRPYSA-N 421.625 6.215 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(CC(C)C)cc2)(c2cccs2)N1 962944224 HICGPVDWUJKFSN-JIPXPUAJSA-N 414.618 6.644 0 1 HKAF COc1ccc2c(c1)[C@](c1ccccc1Cl)(c1ccccc1OC)N[C@H]1CC[C@H]21 962992504 GXTGUUKGNXNOHO-DPQOWFAMSA-N 405.925 5.498 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H]1c2c(F)cccc2C[C@@H]2CCCN21 963090085 HTDSLNUQYCTHTP-WPYKKVEZSA-N 410.533 5.023 0 1 HKAF CCOC(=O)CCC[C@]1(c2cc(F)cc(F)c2)c2c(F)cccc2C[C@H]2CCCN21 963098569 IKRIWXCEGARRGL-YKSBVNFPSA-N 417.471 5.101 0 1 HKAF CC(C)(C)OC(=O)N[C@H]1CC[C@H](C[C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)CC1 963102129 KGCDABSGZICYMM-RAWXMELESA-N 402.554 5.361 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCCC(=O)O)c1ccc(Cl)cc1OC 963228259 LFROWWBBACKQEP-XDHUDOTRSA-N 415.961 5.504 0 1 HKAF CNc1cc(Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c(C)c2)ncn1 1772590666 RGRAHQLJPCEFAJ-UHFFFAOYSA-N 417.391 5.282 0 1 HKAF CC(C)=CCc1cc([C@@H]2CCc3ccc(O)cc3O2)c2c(c1O)CC(C)(C)[C@H](O)C2 1772643701 XDDAFCNRNKKJFR-LADGPHEKSA-N 408.538 5.159 0 1 HKAF Cc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3)Oc3cc4c(c(N)c32)CCCC4)cc1 1772656163 GTSLBFWFRUIUIH-JOCHJYFZSA-N 407.517 6.132 0 1 HKAF CC(C)=CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356732240 HWNMKCKZWVCWCI-FHWIJZBRSA-N 418.662 5.330 0 1 HKAF CC(=CCCC1=CCOC1=O)CCC=C(C)CCC[C@H](C)C=C1OC(=O)C(C)=C1O 2356801634 QTGCSCDBNJDFHL-IBGZPJMESA-N 414.542 6.002 0 1 HKAF CC(=CCCC1=CCOC1=O)CCC=C(C)CCC[C@@H](C)C=C1OC(=O)C(C)=C1O 2356801635 QTGCSCDBNJDFHL-LJQANCHMSA-N 414.542 6.002 0 1 HKAF CN1C[C@H](c2c[nH]c3cc(Br)ccc23)N(C)C[C@@H]1c1c[nH]c2ccccc12 2356802582 SKUCPWBVTUHORN-FGZHOGPDSA-N 423.358 5.071 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1C(=O)CC[C@@]2(C)[C@H]([C@@H](C)C=CCC(C)C)[C@@H](O)C[C@H]12 2356807642 XYOWXSZBIWALDZ-HTIVJNHHSA-N 412.614 5.854 0 1 HKAF O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 61903307 URYVWVBYUQILFT-SFHVURJKSA-N 418.802 5.363 0 3 HKAF CC(C)(CO)CNC(=O)c1c(C(C)(C)C)noc1-c1ccc(-c2ccccc2)cc1 775824 JZSLPJNWOCGNDP-UHFFFAOYSA-N 406.526 5.054 0 1 HKAF COc1cc(O)c(-c2ccc(OC)c3c(OC)cc(C)cc23)c2c1[C@H](C)N(C)[C@@H](C)C2 14421107 RNLKCMIGQLHEKX-HOTGVXAUSA-N 421.537 5.484 0 1 HKAF biogenic C[C@H](CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 14822135 VZRNUXXRMJEXEA-GOSISDBHSA-N 403.529 7.456 0 1 HKAF biogenic CC(=O)OC[C@@H]1CC[C@H]([C@@H](C)CCC=C(C)C)c2cc(C(=O)O)cc(OC(C)=O)c21 15116881 KUKYWGGLHCZNPB-ZAAXVRCTSA-N 416.514 5.217 0 1 HKAF biogenic CC(C)c1ccc2oc(N[C@@H](Cc3ccc(F)cc3)C(=O)N3CCCCC3)nc2c1 27999725 WAFIOEYGBDWWRK-NRFANRHFSA-N 409.505 5.126 0 1 HKAF Fc1ccc([C@H]2C[C@H](N3CCN(CCc4ccccc4)CC3)c3cc(F)ccc32)cc1 28017346 YXRUWBIIYKNYPG-VPUSJEBWSA-N 418.531 5.402 0 1 HKAF O=C(c1ccc(OCCN2CCCC2)cc1)c1c(-c2ccccc2)oc2ccccc12 29409540 XLULIQAAAZSYKF-UHFFFAOYSA-N 411.501 5.805 0 1 HKAF CC(C)CC(=O)OC[C@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 36088392 ZOILZTWSQHWPGH-NHEUJGHNSA-N 404.591 5.689 0 1 HKAF in-vivo CC1=C[C@@H](COc2ccccc2)O[C@@]2(C1)C(=O)N(Cc1ccccc1)c1ccccc12 36381990 JEFAFCFJFXXLPZ-WNCULLNHSA-N 411.501 5.243 0 1 HKAF Cc1ccsc1C(=CCCN(C)[C@@H]1CCCc2onc(O)c21)c1sccc1C 38359407 CUESOMOCKVRNIW-QGZVFWFLSA-N 414.596 5.951 0 1 HKAF in-vitro CC[C@@H](C1CC1)n1c(=O)c(C)nc2c(-c3ccc(C(F)(F)F)cc3Cl)ccnc21 38900614 PIPKFMZTGLLJSZ-KRWDZBQOSA-N 421.850 5.800 0 1 HKAF CC[C@]1(c2ccc(COc3ccccc3)cc2)Oc2cccnc2-n2cccc2C1=O 40391815 IQCKIMSFZBKREW-AREMUKBSSA-N 410.473 5.332 0 1 HKAF CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(F)cc3)C[C@@]21C 40504652 JCMAWWASNQCEHD-KYFBCQRRSA-N 404.525 5.480 0 1 HKAF O=C1OCC(c2cccc(C(=O)O)c2)=C1c1cc(Cl)ccc1OCc1ccccc1 40564549 ZGHNPGKVIJMFBN-UHFFFAOYSA-N 420.848 5.085 0 1 HKAF CC(F)(F)CN1CCc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1 40939859 QNGNGGBBUUJQJP-UHFFFAOYSA-N 422.306 5.859 0 1 HKAF COc1cccc(-c2cc([C@@H]3CCC[C@H]3C(=O)NC3(c4ccccc4)CCC3)no2)c1 45318172 GDJDQBQHVCUXKE-FGZHOGPDSA-N 416.521 5.430 0 1 HKAF Clc1ccc2c(NCCN[C@H](CCN3CCCCC3)c3ccccc3)ccnc2c1 49088873 YWPPQNOPNLQAMI-HSZRJFAPSA-N 423.004 5.507 0 1 HKAF CC[C@@H](C)c1ccc(-n2c(=S)oc3ccc(Br)cc3c2=S)cc1 64560659 BVBSSKNRXSMIHT-LLVKDONJSA-N 406.370 6.958 0 1 HKAF CC1=Nc2ccc(-c3ccncc3)cc2[C@@H](c2ccccc2)N1CCN1CCCCC1 72123046 WCTUTLHCXSNNFG-HHHXNRCGSA-N 410.565 5.689 0 1 HKAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc(F)cc2)C1 82139582 CGEPOCMFVSFJKW-MSOLQXFVSA-N 424.564 5.678 0 1 HKAF Cc1nc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccccc2)oc1C 82163357 SXZJBDLGNGDQBA-UHFFFAOYSA-N 404.901 5.723 0 1 HKAF CCCCCc1nc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccccc2C)oc1C 82177374 PWBBNERRPCVXFB-IBGZPJMESA-N 420.557 5.739 0 1 HKAF Cc1nn(C(=O)Cc2cccc3ccccc23)c2c1nnc1cc(Cl)c(F)cc12 95561392 WYZGIRPQVUFIEL-UHFFFAOYSA-N 404.832 5.117 0 1 HKAF O=C([C@@H](Nc1ccccc1)c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1ccccc1 95601829 ONGLYJWPJGCEBN-GOTSBHOMSA-N 424.466 6.222 0 1 HKAF c1ccc2c3c(ccc2c1)O[C@@H](c1c[nH]c2ccccc12)N[C@H]3c1c[nH]c2ccccc12 98084485 BIRPDCCULMGMTN-NSOVKSMOSA-N 415.496 6.573 0 1 HKAF Clc1ccc([C@H]2C[C@@H]3CC[C@H](S3)[C@H]2c2cc(-c3ccccc3)no2)cc1Cl 101388977 KWPJGSRDVFKINU-VYXDICFBSA-N 416.373 7.184 0 1 HKAF Cc1cccc2cc([C@H]3CC(c4ccc(Br)s4)=NN3)c(Cl)nc12 103213675 HTIBSUWNNLHKBE-GFCCVEGCSA-N 406.736 5.459 0 1 HKAF C/C(=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@@H](C)C(C)C 118924009 NWPUQBNUEHLQTQ-YHMFVCSSSA-N 414.718 7.881 0 1 HKAF COC(=O)Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1 149309505 GYNKPLMIZSPIBI-UHFFFAOYSA-N 410.437 5.095 0 1 HKAF Cc1ccc([C@H](CC(=O)N2C[C@H](C)C[C@@H](C)C2)c2c(O)ccc3ccccc23)cc1 169296324 NDXFAXFPWSKNFC-REHUZNOOSA-N 401.550 5.880 0 1 HKAF COC(=O)/C(=C/c1ccc(C(F)(F)F)cc1)CSc1nc2ccccc2s1 169308077 PVKSOWDUQDQFQC-JLHYYAGUSA-N 409.454 5.664 0 1 HKAF COc1ccc(-c2cc([C@H]3[C@H](c4ccc(Cl)cc4)C[C@H]4CC[C@H]3N4C)on2)cc1 202566361 MZBDCJWEXVZTQQ-BTDSVWAKSA-N 408.929 5.738 0 1 HKAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O)/C=C/c1ccc(F)cc1 299858770 GWSONKVCRUEAOD-WYKUHRKTSA-N 402.594 6.364 0 1 HKAF COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCC2CCCCC2)CC1 299858826 HBJRTZJDKYEAKF-UHFFFAOYSA-N 406.998 5.576 0 1 HKAF Clc1ccc(-c2ccc(CCCNc3ccc(CN4CCCCC4)cc3)nn2)cc1 473108703 ODSPZLQLPQOLJR-UHFFFAOYSA-N 420.988 5.828 0 1 HKAF CC(C)(C)c1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 586967096 WGSVVXIYLAMSBC-UHFFFAOYSA-N 417.582 5.670 0 1 HKAF Clc1ccc(OCc2nc3ccc(Br)cc3[nH]2)c(Br)c1 586978010 WHSRSMBLIBQKIY-UHFFFAOYSA-N 416.500 5.320 0 1 HKAF Cc1cc(Br)cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 587015459 DTXVHFYSZQJIPF-UHFFFAOYSA-N 404.720 6.078 0 1 HKAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(OC(F)(F)F)cccc2[nH]1 587077400 WUZXJPNCWKWBFB-UHFFFAOYSA-N 405.763 5.550 0 1 HKAF Clc1ccc(-c2ccc(-c3nc4c(OCc5ccccc5)cccc4[nH]3)cc2)nn1 587088076 SZFJPISZSJUDSR-UHFFFAOYSA-N 412.880 5.919 0 1 HKAF Cc1ccc2c3c(cc(C(c4ccccc4)c4ccccc4)nc13)-c1ccccc1C2=O 587099628 PTMAOBDTBYPLQX-UHFFFAOYSA-N 411.504 6.935 0 1 HKAF COc1cc2c(cc1Cl)CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331333 PHXBYNKDOGVWHG-UPVQGACJSA-N 424.855 5.394 0 1 HKAF Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2ccccc12 587350808 HDGUDPJXTQBFLF-DHLKQENFSA-N 402.421 5.860 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351010 FWHFIZQCIFPCON-LSCGWGKXSA-N 422.540 6.812 0 1 HKAF CC(C)(C)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354176 NJSIVHQEIILCKJ-BVAGGSTKSA-N 404.481 6.222 0 1 HKAF Cc1cc(C)c2c(c1)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357675 NXBVQCYFKCQDLR-WIOPSUGQSA-N 404.437 5.185 0 1 HKAF CCc1c([C@H]2CCOC(C)(C)C2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587366190 MOSQQWRKNKZCGG-SFHVURJKSA-N 415.533 6.892 0 1 HKAF COC(=O)c1ccc(-c2cccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)cc1F 587384123 ARPULOCIWKTFTH-VWLOTQADSA-N 419.452 5.051 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCc1ccccc1)(C1(C)CCCCC1)CC2=O 587491756 YXCJMTPNRSXYFE-HHHXNRCGSA-N 406.566 6.652 0 1 HKAF CCCCOc1c(Cl)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587496924 GUTBJWANVLSGGE-NRFANRHFSA-N 414.929 6.113 0 1 HKAF O=C1C[C@H](c2cccn2-c2cc(Cl)cc(Cl)c2)Oc2c1ccc1c2CCCC1 587503639 VZPSNNOWRFCYQR-JOCHJYFZSA-N 412.316 6.369 0 1 HKAF O=C1C[C@@H](c2c[nH]nc2-c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587506490 JUJLNTNCRKIVHL-FQEVSTJZSA-N 412.411 5.681 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC12CCC2 587518364 GRBNVNWTBMAEAP-RUZDIDTESA-N 411.542 5.223 0 1 HKAF O=C(O)c1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1O2 587530612 GBWPISXMMQTMKO-SANMLTNESA-N 412.441 5.278 0 1 HKAF C[C@]1(c2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547432 SMAOHWNDGUTEJD-WIYYLYMNSA-N 401.245 5.576 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1OCC1CC1 587548558 PVKAKYCQOVCIFT-ZJSXRUAMSA-N 422.864 5.537 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc(F)c1 587569703 IWISUQGJPJERGI-BVAGGSTKSA-N 412.416 5.437 0 1 HKAF Cc1cccc2c3c([nH]c12)[C@]1(CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590620 SWFVOVZGHVREIX-QFQXNSOFSA-N 411.457 5.375 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2ccccc2)c1 587591851 HYNAIXVFKYZVRP-IGKIAQTJSA-N 424.452 5.674 0 1 HKAF CC(C)CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587595923 LWJGMTOGYZUBNK-RDGATRHJSA-N 404.462 5.520 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccn(-c3ccccc3F)c2)N1 587730061 WSHAGXPSIGLEEC-FKIZINRSSA-N 403.270 5.142 0 1 HKAF CC(C)[C@@]1(CCc2cccc(N)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587746683 NZJAVYXXPUWCDZ-LHSJRXKWSA-N 405.355 5.189 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C[C@@H](C)c2cn(C)c3ccccc23)N1 587759805 VPMFRHSESMEABN-TYILLQQXSA-N 415.350 5.849 0 1 HKAF CCCCOc1cc2nc(-c3ccc(C)c(OCC)c3)[nH]c2cc1Br 587778018 HJFWCSJHULHYEH-UHFFFAOYSA-N 403.320 5.878 0 1 HKAF CCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC 587797505 VRGDIDGXLHAIFV-LRTDBIEQSA-N 422.338 5.399 0 1 HKAF Cc1ccc(OCC2CC2)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587805073 GLCONRLHKTUKJY-ASSNKEHSSA-N 404.323 5.309 0 1 HKAF CC(=O)Oc1cccc([C@]2(c3ccc(Cl)cc3)NCCc3ccc(F)c(C)c32)c1 962376449 PMMSCRACLZPMFL-DEOSSOPVSA-N 409.888 5.150 0 1 HKAF Cc1cc(CN2CCCC[C@@H]2C)c(C)c([C@@H]2NCCc3cccc(-c4ccccc4)c32)c1 962668791 XZFIJOKDTYNBMN-CHJDUVSTSA-N 424.632 6.580 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2c[nH]c(C(=O)NC3CCCCCC3)c2)N1 962944388 HTEPSNPTMGVTLG-HFJWLAOPSA-N 418.585 5.136 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1cccc(OC)c1)[C@@H](CC)C(=O)OCC 963222745 CLXXEJILSBWEHK-FRPAHBMMSA-N 409.570 5.185 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]12CC(C)(C)Oc1ccc(Br)cc12 963233248 SUVXSIIMIZZJLV-QMHKHESXSA-N 414.387 5.910 0 1 HKAF C[C@H]1CN(c2cc(Nc3nccc(C(F)(F)F)n3)cc(-c3ccccc3)c2)CCO1 1772571305 MJEPJGZCXVWMFV-HNNXBMFYSA-N 414.431 5.131 0 1 HKAF CC1(C)CCc2cc([C@@H]3CC(=O)c4c(O)cc5c(c4O3)CCC(C)(C)O5)c(O)cc2O1 1772608379 OSHUTOTYCNDALZ-FQEVSTJZSA-N 424.493 5.012 0 1 HKAF Cc1ccc(N(C(=O)NC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccc(C)cc2)cc1 1772631373 RPJLXUCXXPIYHL-MEMLXQNLSA-N 424.541 5.059 0 1 HKAF COC(C)(C)/C=C/C[C@]1(C)CCc2c(ccc3c2O[C@H](c2ccc(O)cc2)CC3=O)O1 1857573494 CQXGJOKWEWSLLJ-NXYCHIPASA-N 422.521 5.554 0 1 HKAF Nc1cccc(Cl)c1Oc1ccc(CNc2ccc(Br)cc2)cc1 1857579047 PIKDMEISNZLIII-UHFFFAOYSA-N 403.707 6.089 0 1 HKAF O=S(=O)(c1ccccc1)N1C[C@@H](c2cccc3ccccc23)Oc2ccccc21 1857762781 WOHPDESQLHPWOK-DEOSSOPVSA-N 401.487 5.169 0 1 HKAF CC(C)[C@H](O)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 2356340216 JZCPTPIGOKTFQQ-ZMCJXNJMSA-N 400.647 6.280 0 1 HKAF CC=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)CCC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356340711 WBYFDFJWHRNSJD-JIWZCJBGSA-N 412.702 7.945 0 1 HKAF CO[C@@H]1OC(=O)C2=CC[C@H]3[C@](C)([C@@H](O)C[C@H]4[C@@]5(C)CCCC(C)(C)[C@H]5CC[C@]43C)[C@H]21 2356412545 SZCOSHPHASAUBT-GYAOKRROSA-N 416.602 5.098 0 1 HKAF CC[C@H](C)C(=O)Nc1nc(C)c(-c2csc(Nc3ccc(Cl)cc3)n2)s1 8691902 OKPAFAPNAXUWDH-JTQLQIEISA-N 406.964 5.957 0 3 HKAF CN1CC=C(c2ccc(C(F)(F)F)cc2)N(c2ccc(Br)cc2)C1=O 203463469 WXOMYYKZOFXRHL-UHFFFAOYSA-N 411.221 5.381 0 3 HKAF CC(=O)c1ccc2oc([C@]3(C)CC[C@@](C)(O)c4oc5ccc(C(C)=O)cc5c43)cc2c1 13305059 MLBPWTDFMXETIN-IZZNHLLZSA-N 416.473 5.892 0 1 HKAF biogenic COc1ccc2c3c(c(=O)oc2c1)[C@](C)(CC/C=C(\C)Cc1cc(C)co1)[C@H](C)O3 13460837 VQRPFWMTIIMDKU-CYWISYQWSA-N 408.494 5.711 0 1 HKAF biogenic,in-vitro CN1C(=O)[C@@]2(CCCCN3CC=C(c4ccccc4)CC3)CCCc3cccc1c32 13473714 JIRCLBZTHLKVQB-MHZLTWQESA-N 400.566 5.197 0 1 HKAF O=C(O)c1ccc(C=C2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)cc1 13475217 TUMUOMINWLBKJC-UHFFFAOYSA-N 412.489 5.822 0 1 HKAF O=c1cc(NCc2ccccc2NCc2ccc(Cl)c(Cl)c2)[nH]c2ccccc12 13488729 DVTBPPONATWARZ-UHFFFAOYSA-N 424.331 6.059 0 1 HKAF CCCCOC(=O)C1=C(C)OC(C)=C(C(=O)OCCCC)C1c1ccc(Cl)cc1 13536943 RJFICSQKIGZQBP-UHFFFAOYSA-N 420.933 5.688 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(F)c(C)c1)Oc1ccc(Cl)cc1-3 13777194 JSHHKDQSFNGJMA-VWLOTQADSA-N 419.927 7.544 0 1 HKAF C[C@]12CCC=C[C@H]1[C@@H](c1ccc(Br)cc1F)N(Cc1ccccc1)C2=O 13830292 VLYJICXLKPVNJX-DWLFOUALSA-N 414.318 5.644 0 1 HKAF CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)c2ccc(Cl)cc2)c2ccccc21 27099278 XBTFKEVZITXNIQ-XDHUDOTRSA-N 418.924 5.873 0 1 HKAF CC(C)CC[C@@H]1CCCCCCc2c1oc(=O)c([C@@H](c1ccccc1)C1CC1)c2O 27520315 NXQVAZCCMOUJJI-GMAHTHKFSA-N 408.582 6.914 0 1 HKAF CCCC(CCC)N1CC[C@H]2CN(c3ccc(Cl)cc3Cl)c3nc(C)nc1c32 28123754 ATYWTDSKRJOYQU-HNNXBMFYSA-N 419.400 6.506 0 1 HKAF O=C1N(CCCCCOc2ccc(-c3cccs3)cc2)CCN1c1ccncc1 29395270 ZECIRUYCGMTMJS-UHFFFAOYSA-N 407.539 5.301 0 1 HKAF C[C@@H](CN1CCCC[C@@H]1C1CCCCC1)c1cccc(C(=O)c2cccc(Cl)c2)c1 29411986 RAPYNFSWBKJBOC-RXFWQSSRSA-N 424.028 7.109 0 1 HKAF CCC(CC)OC(=O)Nc1ccc2ccn(Cc3ccc(C(=O)O)cc3OC)c2c1 29468886 BSRSHWCITZYRMH-UHFFFAOYSA-N 410.470 5.134 0 1 HKAF CCC(CC)COc1c(Cl)cc2c(c1Cl)O[C@H](C(F)(F)F)C(C(=O)O)=C2 34024342 OBUDAKFQDWSDSX-HNNXBMFYSA-N 413.219 5.600 0 1 HKAF COc1cccc(C(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C2=CCCCC2(C)C)c1O 40847097 LZKZUKVBAZIKPY-DBIMOSKASA-N 422.565 6.699 0 1 HKAF CC(C)N(C)c1nc2ccc(NC(=O)CCc3ccc(C(F)(F)F)cc3)cc2s1 40974561 XORBCGNEPZKHBX-UHFFFAOYSA-N 421.488 5.731 0 1 HKAF CC(=O)N[C@H](C)c1ccc(-c2ccc(Oc3ccc(OC(C)C)cc3)cc2)c(C)c1 45245139 WKXMYIRBKKGIKP-LJQANCHMSA-N 403.522 6.439 0 1 HKAF CCCOc1ccc(Oc2ccc(-c3ccc([C@@H](C)NC(=O)C(C)C)cc3)cn2)cc1 45324101 HXPDGARYOTZGOE-LJQANCHMSA-N 418.537 6.163 0 1 HKAF CCCCN(C(C)=O)c1ccc2c(c1)[C@@H]1C[C@H]2CCN1C(=O)OCc1ccccc1 61942452 GLIXECOSZKZGEU-YKSBVNFPSA-N 406.526 5.411 0 1 HKAF Fc1ccc([C@@H]2CC(c3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)=NO2)cc1 66073672 CZPFMEACJSZOJG-QHCPKHFHSA-N 424.397 6.654 0 1 HKAF O=C(CCC1CCCCC1)N[C@@H](CCc1ccccc1)C(=O)c1nc2ccccc2o1 82064493 UYPGIWJMLYAGEI-QFIPXVFZSA-N 418.537 5.489 0 1 HKAF COc1ccc(CCNc2cc(Oc3ccc4ccccc4c3)ncn2)cc1OC 82067605 BCEKZLGAGDHGFN-UHFFFAOYSA-N 401.466 5.094 0 1 HKAF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NCc2ccccc2)nc1-c1ccccc1F 82150824 DUOYWUFHHCWZSS-JTSKRJEESA-N 418.516 5.203 0 1 HKAF CCCCCc1nc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccco2)oc1C 82165410 YMDLKYQZKXYPEA-LPHOPBHVSA-N 408.546 6.423 0 1 HKAF Cc1ccccc1-c1nc(NCC2CCCCC2)ncc1-c1nc2ccccc2s1 82177302 GTUPIQNHKDSOFZ-UHFFFAOYSA-N 414.578 6.721 0 1 HKAF O=C1C(Cl)=C(c2ccc(C(F)(F)F)cc2)C(=O)N1c1ccc(Cl)c(Cl)c1 95594417 FGKRMUDQFGRDIW-UHFFFAOYSA-N 420.601 5.536 0 1 HKAF OC[C@@H]1CCN1CCc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 96273981 XJUWZZHSBDVTOQ-QHCPKHFHSA-N 415.562 5.316 0 1 HKAF Cc1ccc2cc([C@@H]3CC(c4sccc4Br)=NN3)c(Cl)nc2c1 103212292 AOXDONUXMVFEDM-AWEZNQCLSA-N 406.736 5.459 0 1 HKAF Cc1cc(N)c2cc(NC(=O)c3cccc(-c4cnc5ccccc5c4)c3)ccc2n1 103236391 NYJRNGVGQKPVRE-UHFFFAOYSA-N 404.473 5.593 0 1 HKAF CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2cccs2)C2=C(O)CC(C)(C)CC2=N1 104691738 UGDGNTGXOOQYLY-NRFANRHFSA-N 407.539 5.535 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118937343 ZMYBKDLUDWAJSA-DPLNCCJLSA-N 400.691 8.067 0 1 HKAF endogenous,in-man [C-]#[N+]c1ccc(N2C(=S)N(c3ccc(O)cc3)C(C)(C)C2=S)cc1C(F)(F)F 167651388 UZZIOQVJDOMBDX-UHFFFAOYSA-N 421.469 5.679 0 1 HKAF Cc1c(OCCCCOc2ccc(C(=O)O)cc2F)ccc(C(=O)CC(C)C)c1O 169351419 XGADSIWWVNFIKN-UHFFFAOYSA-N 418.461 5.005 0 1 HKAF CCOc1ccccc1C(=O)Nc1ccc2oc(Nc3ccc(CC)cc3)nc2c1 199078557 XKCJAMKOOLJWFD-UHFFFAOYSA-N 401.466 5.785 0 1 HKAF CN(C)[C@]12C[C@H](OC(=O)C(C)(C)C)[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 253656067 QTJGCUCNGLCPFR-AJKRBGFZSA-N 405.582 5.626 0 1 HKAF O=C1C[C@H](c2cc3ccccc3nc2Cl)N(Cc2ccccc2)[C@@H]2CCCC[C@H]2N1 299845720 TWFNPNJZIUVWSR-DNVJHFABSA-N 419.956 5.263 0 1 HKAF Cc1cc(OC(F)F)ncc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2c1 299869898 VPTVOGVSKWEKDN-UHFFFAOYSA-N 403.791 5.994 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4nccc(Br)c4[nH]3)cc2)CC1 586880496 LKSHNHAJNUUXGZ-WKILWMFISA-N 412.375 6.851 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc([C@@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1 586884011 NICHKPNLSIPNSA-MVLNVAABSA-N 402.494 5.610 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3nc(Br)sc3C3CC3)nc2c1 587013486 XWTITCXFMRBPOT-UHFFFAOYSA-N 413.138 5.397 0 1 HKAF N[C@@H](Cc1ccccc1Cl)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587058167 FHEPNAKZFQZWGM-LBPRGKRZSA-N 418.644 5.240 0 1 HKAF Cc1onc(-c2nc3cc(Br)ccc3[nH]2)c1COc1ccccc1Cl 587063623 QZPOWXIRRZAEDU-UHFFFAOYSA-N 418.678 5.521 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc3ccccc3cc2[nH]1 587072261 PWDUCHNCGMVCOX-CCZAQKGSSA-N 407.344 7.389 0 1 HKAF Cc1cc(Cl)cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c12 587082992 YDNWNMJSDGJLBW-UHFFFAOYSA-N 404.300 7.060 0 1 HKAF COC(=O)c1cc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc2cn1 587113765 ZRGACVKNOBGRFP-UHFFFAOYSA-N 413.355 5.223 0 1 HKAF Oc1c(Br)ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 587125846 UKVNWLDHICQHOD-BAQGIRSFSA-N 415.234 5.813 0 1 HKAF COc1cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2cc1Cl 587166115 MQYFTPAPXRMTQB-UHFFFAOYSA-N 412.877 5.331 0 1 HKAF FC(F)(F)c1cccc2nc(-c3cc(I)ccc3Cl)[nH]c12 587182479 GVXBYVVFHQZXBB-UHFFFAOYSA-N 422.575 5.507 0 1 HKAF C[C@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327452 GPMYRKIJBIDLNV-NZQKXSOJSA-N 414.379 5.407 0 1 HKAF C[C@@]1(c2c(F)cc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331237 IXUGDSNOEYSPKI-DENIHFKCSA-N 402.343 5.223 0 1 HKAF Cc1ccc(-c2ccc(O[C@H](C)[C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 587401541 SGOQVNUEJRZRSB-DWXRJYCRSA-N 401.506 5.744 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1ccccc1N)CC2=O 587463621 WGRCSWJPVYMAKF-DEOSSOPVSA-N 407.897 5.489 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cccc(C)c1)([C@H](CC)C(=O)OCC)CC2=O 587479326 HSGVPBIRMQXASA-CJFMBICVSA-N 410.510 5.103 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCc1ccc(C)cc1)CC2=O 587483186 VTPMKYMZUQUCSC-VWLOTQADSA-N 402.490 5.939 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)/C(=C/c2ccccc2)Oc2cc(O)ccc21 587491699 PDGHHBHJKCAXJB-NFYDWNOTSA-N 414.457 5.345 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(SC(F)F)cc1 587553170 FAMLRPBTOSJFSB-XLIONFOSSA-N 400.402 5.410 0 1 HKAF Cc1cccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587579220 TWHPNMGGYCTPHE-ZEQKJWHPSA-N 411.457 5.503 0 1 HKAF CC(C)(C)OC(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587594898 LXXHNCNYGPEOPU-OFNKIYASSA-N 418.445 5.050 0 1 HKAF CCOC(=O)C[C@]1(CC2CCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596335 NOMRRVPBYRALCE-RDGATRHJSA-N 424.493 5.016 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2cccc(Cl)c2)N1 587701497 NNMBBRMNHWXOLB-WYRIXSBYSA-N 410.714 5.264 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2cccs2)(C(F)(F)F)N1 587707533 VERCSMJXNHINDC-VOXWREQQSA-N 420.269 5.655 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(Cl)ccc2C(F)(F)F)N1 587710683 HCJRKERQUDWGMW-NXSYQRQQSA-N 423.635 5.279 0 1 HKAF Cc1c(F)cccc1-c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587723103 VFTBKCMGIXIPCB-WSVYEEACSA-N 418.281 5.919 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccncc3)cc2F)N1 587725270 OIGPYTVPVVBFBQ-QKVFXAPYSA-N 415.281 5.413 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(F)c3)nc2)N1 587733680 RSTMYDIMLHUDLJ-QKVFXAPYSA-N 415.281 5.413 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)CCc3ccccc32)N1 587822860 MZKXGWREFICOFT-FPTDNZKUSA-N 402.351 5.729 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/[C@@H]2C(C)(C)CC[C@H]3O[C@]32C)N1 587837216 DPEHASUWZCSFOX-VLKRWYMNSA-N 422.382 5.488 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(Cc3ccccc3F)n2)cc1 587923023 LUDROVWHAKAVGX-UHFFFAOYSA-N 402.469 6.827 0 1 HKAF Ic1cccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c12 587962773 YCXZZLUCBMGXDS-UHFFFAOYSA-N 410.258 5.425 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N)nc3)c2)cc(-c2ccc(Cl)cc2)n1 653758328 GWWUSHMHPLIELO-AWEZNQCLSA-N 416.916 5.318 0 1 HKAF COc1ccccc1[C@]1(C2CCCCC2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962636718 SVOWABXOBNTNMQ-WXTAPIANSA-N 409.570 5.413 0 1 HKAF CC(C)c1ccc(-c2n[nH]cc2[C@@H]2c3ccsc3CCN2Cc2cccnc2)cc1 963004122 FMMMCKIUWNJJLI-VWLOTQADSA-N 414.578 5.804 0 1 HKAF COc1ccc([C@]2(c3cccc(Cl)c3)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963113639 VHXGVAHWISKTBG-OFVILXPXSA-N 407.916 5.800 0 1 HKAF CCc1cccc(NC(=O)c2cccc(N3CCc4c(cnc5ccsc45)C3)c2)c1 1772624835 WLKXIKZJXFFRFT-UHFFFAOYSA-N 413.546 5.674 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1cc2c3c(oc2cc1O)C(O)(O)c1ccc(O)cc1O3 1772648015 XGHZQVUJGMLJDS-VIZOYTHASA-N 422.477 5.371 0 1 HKAF COc1cccc(Nc2ccccc2)c1-c1c(Cl)cc(Br)cc1Cl 1857579025 YSNFOVIGRGXWOH-UHFFFAOYSA-N 423.137 7.175 0 1 HKAF Cc1c([C@@H](C)n2cnc3ncc(-c4cnc5ccccc5c4)nc32)ccc2ncccc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c1ccccc1 2356745490 FODHMRRHZAVFBM-UXMUTSDFSA-N 408.582 6.070 0 1 HKAF O=C(Nc1ccccc1Cl)c1cc([C@@H]2CCCCN2C(=O)C2CCCCC2)on1 61895746 NKEOYANFVZARRB-IBGZPJMESA-N 415.921 5.214 0 3 HKAF CCOc1ccccc1-c1onc(-c2ccc(OC)cc2)c1C(=O)NC1CCCC1 773892 WROUAGXXYLZBIT-UHFFFAOYSA-N 406.482 5.088 0 1 HKAF Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)N(C)C)nc2c1 960151 DHOMUJNUPDVUJB-UHFFFAOYSA-N 422.573 5.997 0 1 HKAF CC(C)=CC[C@@H](O)/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 14691562 RFIIOYJLKCYOCK-PUMPRSRSSA-N 412.614 6.955 0 1 HKAF N[C@H](CCc1cnc(Cl)c(/C=C/c2ccncc2)c1)Cc1c[nH]c2ccccc12 14957669 CFYHQUNHGODMIT-GZNAHNRGSA-N 402.929 5.284 0 1 HKAF Cc1sc(-c2ccc(F)cc2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)O 28951977 TWUCFBDPCYZPPV-KRWDZBQOSA-N 411.498 5.384 0 1 HKAF Clc1ccc([C@@H](c2ccc(OCCN3CCOCC3)cc2)c2cccs2)cc1 29130531 UVEJEFAENDWUTQ-QHCPKHFHSA-N 413.970 5.293 0 1 HKAF C[C@H](CCN1CC[C@H](NCc2ccc(-c3ccc(Cl)cc3)o2)C1)CC(C)(C)C 36351944 HVSUVGONQPOCEW-NQIIRXRSSA-N 403.010 6.226 0 1 HKAF Cc1cccc2nc(-c3ccc(-c4cccc(NC(=O)c5cncn5C)c4)cc3)[nH]c12 45230509 VNRQBZOBSQEMRV-UHFFFAOYSA-N 407.477 5.191 0 1 HKAF CC(=O)N[C@H](C)c1ccc(-c2ccc(Oc3ccc(Cc4ccccc4)cc3)cc2)cc1 45260755 YGYXUPPPDWDIKF-OAQYLSRUSA-N 421.540 6.934 0 1 HKAF CCO[C@H](c1ccc(Cl)cc1)[C@@H](SC(C)(C)C)n1cnc(C(F)(F)F)c1 45366116 LWSRFXJJZKEECJ-HZPDHXFCSA-N 406.901 6.363 0 1 HKAF CCC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C2CCCCC2)cc1 49114794 KREPWTBRNHNPET-UHFFFAOYSA-N 415.459 6.576 0 1 HKAF Brc1ccc([C@]2(CCC3CCOCC3)c3ccccc3-c3nccn32)cc1 72110953 XPRHNWSRKLFWHX-HSZRJFAPSA-N 423.354 5.625 0 1 HKAF Cc1nc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccc(F)cc2)sc1C 82164817 RQMMSHDKEPEKHS-UHFFFAOYSA-N 422.504 5.817 0 1 HKAF Cc1nc(-c2ccccc2)sc1[C@H]1SCC(=O)N1c1ccc(F)c(Cl)c1 95560073 ISFJHLCRHNMGPB-LJQANCHMSA-N 404.919 5.690 0 1 HKAF CC(C)(Oc1ccc(CCOc2ccc(/C=C/c3ccccc3)cc2)cc1)C(=O)O 95561947 CVNHNZXQBIXIMK-CMDGGOBGSA-N 402.490 5.721 0 1 HKAF O=c1[nH]c2cc(-c3cccc(Cl)c3)ccc2c2[nH]c(-c3c(F)cccc3Cl)nc12 96270706 QFQMKJXIFPLCNP-UHFFFAOYSA-N 424.262 6.184 0 1 HKAF Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccccc1Cl)C1=C(O)c3ccccc3C1=N2 101564163 IOKLNOMNLLEIHR-OAQYLSRUSA-N 424.891 5.778 0 1 HKAF CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2nc3cc(C(F)(F)F)ccc3s2)C1 103184798 OPLNLGVEOUDKIU-UHFFFAOYSA-N 416.468 5.866 0 1 HKAF Fc1cc(-c2nnc(COc3ccc(Cl)cc3Cl)o2)c(Cl)cc1Cl 103275742 VNYNHLCYQZGXQV-UHFFFAOYSA-N 408.043 6.068 0 1 HKAF Cc1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4Cl)CC(O)=C32)o1 103921021 IZKHWUYCBHWLFI-IZHWHUGBSA-N 404.897 6.870 0 1 HKAF Cc1cnc2[nH]cc(Cc3cnc(NCc4ccc(C(F)(F)F)nc4)c(F)c3)c2c1 117438425 RALYGEAWFFXYBD-UHFFFAOYSA-N 415.394 5.022 0 1 HKAF CC(=O)[C@]12CCCC[C@H]1C[C@H]1[C@@H]3C[C@@H](C)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 118913997 YYJQALYDDZZWSF-YKPAGXKXSA-N 400.603 5.335 0 1 HKAF Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2N2CCC(C)CC2)cc1C 137641539 UNXDJRMYIQFYAR-UHFFFAOYSA-N 412.530 5.060 0 1 HKAF CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137695877 DGJHBFBQAQKVKB-KTMOQYSZSA-N 414.718 7.737 0 1 HKAF COc1ccc(CCN(C)CCCN2c3ccccc3CCc3ccccc32)cc1 139120190 VUZHIQPYYFVUBJ-UHFFFAOYSA-N 400.566 5.497 0 1 HKAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(-c2ccc(SC)cc2)cc1 169359807 VBCBQYQOZQQZBS-FXYHBZOQSA-N 405.563 5.115 0 1 HKAF C[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)(C)C 255200924 BTEISVKTSQLKST-RGLCRIRSSA-N 410.686 7.721 0 1 HKAF CC(C)=C(C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255223332 KPIRFXVTLHBVFL-AAGDOFLISA-N 412.702 7.945 0 1 HKAF Cc1ccc(-n2c(-c3ccccc3/C=C/c3ccccc3)nc3ccccc3c2=O)cc1 299865197 SRNAAHXDRJTKPJ-ISLYRVAYSA-N 414.508 6.532 0 1 HKAF CC(C)=CCC/C(C)=C/C/C=C(\C)[C@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1C(C)(C)C(=O)CC[C@@]12C 473128139 YRLSPFMOGLJPJU-ZAAJLEHJSA-N 424.713 8.853 0 1 HKAF CC(C)CCOc1cc2nc(C3(c4ccccc4O)CC3)[nH]c2cc1Br 586896703 KBCQUTSLSMPPJZ-UHFFFAOYSA-N 415.331 5.536 0 1 HKAF Cc1cc2[nH]c(-c3cccn3-c3ccc(Br)cc3C)nc2cc1Cl 586979796 BXENQTZLZBOZHF-UHFFFAOYSA-N 400.707 6.053 0 1 HKAF Brc1ccc(-c2ccc(/C=C\c3nc4cc5c(cc4[nH]3)OCO5)o2)cc1 586999279 XXJVJEZJUZREFY-VURMDHGXSA-N 409.239 5.485 0 1 HKAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(Cl)cc(F)c4[nH]3)c2C1 587032275 RXBKIAYSPADQJA-UHFFFAOYSA-N 407.898 5.377 0 1 HKAF Cc1c(Br)cnc2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c12 587077172 SEBLCCGSRJKBLY-UHFFFAOYSA-N 415.678 5.117 0 1 HKAF CCCCCC[C@@H](C(=O)OCC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106600 MDYQQSJNQRNFLP-LJQANCHMSA-N 401.506 6.063 0 1 HKAF COc1c(F)ccc(F)c1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587133311 SMCLPRDCSCBXOZ-UHFFFAOYSA-N 407.136 5.298 0 1 HKAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587163863 VKMLUDBALXDTLB-UHFFFAOYSA-N 408.432 6.392 0 1 HKAF Cc1sc(Br)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587209351 OKTNGBFPQOWUOP-UHFFFAOYSA-N 406.304 6.246 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1c2nc2cccc3c2c1CC3 587216312 ZWZGWOUPROEEMP-MMFSABKQSA-N 401.594 5.751 0 1 HKAF C=CC(=O)Nc1ccc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)cc1 587244158 MNUNIXZBCODYNJ-UHFFFAOYSA-N 410.193 5.136 0 1 HKAF COc1cc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C 587355628 YVKQNIJHGBNWJW-UKILVPOCSA-N 406.453 5.431 0 1 HKAF COc1cccc(-c2cc(-c3cccc(C4CCC4)c3F)nc3c2oc2ccccc23)c1 587359725 GUMRROYZRNXYJZ-UHFFFAOYSA-N 423.487 7.730 0 1 HKAF COc1cccc(-c2cc(-c3ccc4c(c3)CCCC4)nc3c2oc2ccccc23)c1 587365404 KKURTMHZPNAKMA-UHFFFAOYSA-N 405.497 7.202 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Cl)c(Cl)c(C(F)(F)F)c1)O2 587382352 PAUXOQGOTJVACU-KRWDZBQOSA-N 404.215 5.783 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C34CC5CC(CC(C5)C3)C4)ccc1O)O2 587404520 RIACSATWCXAKHV-LWHMVEIFSA-N 403.522 5.457 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Oc4ccc(Cl)cc4)cc1)[C@@H](C2)C3=O 587422959 RVTQEWYARTYHMO-GBXCKJPGSA-N 406.865 5.804 0 1 HKAF CCCC[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 587457074 DYZSWOXQSLPNLS-QFIPXVFZSA-N 417.343 6.158 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCOc3c1ccc(Cl)c3Cl)CC2=O 587460802 IINGLXIODIARAF-NRFANRHFSA-N 407.293 5.685 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(C)(C)C)C[C@H]1C(=O)OCC)CC2=O 587477858 HODFIGOFTDZFFP-VRXSFPRUSA-N 402.531 5.074 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(C)cc3)nc3ccccn13)CC2=O 587493068 ZHZNMTDDXCFLSX-JOCHJYFZSA-N 412.489 5.674 0 1 HKAF O=C1C[C@H](c2ccc(Cc3ccc(Cl)nc3)cc2)Oc2c1ccc1c2CCCC1 587496960 DBGJOZXZJXDEBE-HSZRJFAPSA-N 403.909 5.911 0 1 HKAF O=C1C[C@H](c2ccc(COc3cccc(Cl)c3)o2)Oc2c1ccc1c2CCCC1 587499280 IGDYAVBQFNVRIN-HSZRJFAPSA-N 408.881 6.097 0 1 HKAF COC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 587527090 URMXDJYVHVOTSH-VWLOTQADSA-N 412.485 5.726 0 1 HKAF CCOC(=O)[C@@H](CC)[C@]1(c2cccc(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587527539 WLVMDNXDUZGRJB-ATIYNZHBSA-N 422.521 5.024 0 1 HKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)/C(=C/c1ccccc1)Oc1cc(O)ccc12 587532084 MVFGXQNDJYWCDQ-IYVASWNSSA-N 410.469 5.565 0 1 HKAF COc1ccc(OCc2nc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cs2)cc1 587535195 JFGDREQZFYLEDL-JOCHJYFZSA-N 421.518 5.316 0 1 HKAF O=C1C[C@]2(CCSc3ccc(Br)cc32)Oc2c1ccc1c2CCCC1 587537571 HXFGEYXQOGKNMC-NRFANRHFSA-N 415.352 5.684 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@H]2Nc1ccccc1 587576072 FJSJJKLGZSYILV-SLSDLSHTSA-N 401.462 5.147 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC2CCCC2)cc1 587600219 NBCABYRKJPCXQA-WIOPSUGQSA-N 402.446 5.417 0 1 HKAF Cc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603731 RFELUEIOTGDWHV-SHQCIBLASA-N 408.453 5.606 0 1 HKAF CCc1cccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587604173 UYQQEKJWMPVSIQ-LSYYVWMOSA-N 422.480 5.860 0 1 HKAF Cc1cccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)(F)F)c1 587622175 ZPZHTICMDYVPEH-UHFFFAOYSA-N 422.204 5.527 0 1 HKAF Cc1ccc(CNC(=O)c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 587625167 ATQKODNCWNQCJV-UHFFFAOYSA-N 414.349 5.752 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccco2)N1 587700102 LQMOADNFGRUFBZ-YUNKPMOVSA-N 420.709 5.661 0 1 HKAF Cc1cc(Cl)cc2c1OCCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587701487 UTUOOBGQMAAKOH-YUNKPMOVSA-N 424.741 5.500 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(Cl)c2Cl)N1 587716810 DZJGJDRHUJFANA-HYORBCNSSA-N 407.085 5.658 0 1 HKAF Cc1cc(C)n(-c2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)n1 587762512 FQLPPSIDNGQDSZ-QKVFXAPYSA-N 414.322 5.014 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC3CCCC3)c2)N1 587809271 IKLZCMQUTDANME-ZSEKCTLFSA-N 404.323 5.533 0 1 HKAF Cc1cc2cc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)oc2cc1C 587826212 DKICZKKKXARRCB-LRTDBIEQSA-N 402.307 5.749 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1csc2c1CC[C@@H](C)C2 587864670 RUZZTKKABANGTE-GFCCVEGCSA-N 420.456 5.452 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1ccc(OC)cc1 587866417 CMWGWUCMOUUKLB-UHFFFAOYSA-N 421.444 5.221 0 1 HKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 587950059 IYDPQMUWPSJNBZ-KFNAQCHYSA-N 409.324 5.158 0 1 HKAF COc1ccc2cc([C@H](C)c3nnc4n3N=C(c3ccc(C)cc3)CS4)ccc2c1 653705343 UCCKULMKWDKIRY-INIZCTEOSA-N 414.534 5.258 0 1 HKAF C[S@@](=O)c1ccc([C@@H](CC2CCCC2)c2[nH]c3ncccc3c2CO)cc1Cl 653784940 ZTVXSWAKKVLTMA-JYRCXFKTSA-N 416.974 5.158 0 1 HKAF COc1cccc([C@@]2(O)c3ccc(-c4ccc(Cl)cc4)cc3CC[C@@H]2CN(C)C)c1 653813311 OFRPLJSPOIYQPV-GJZUVCINSA-N 421.968 5.376 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)c(C)c1[C@@H]1NCCc2cccc(-c3ccccc3)c21 962670510 RCZCPGGHDLUKML-SANMLTNESA-N 413.952 6.045 0 1 HKAF CC(C)c1nn(C)c2c1[C@](C)(c1ccc(-c3ccc(Cl)cc3Cl)o1)NCC2 962914020 CHVBDESIUKQFCZ-NRFANRHFSA-N 404.341 5.520 0 1 HKAF Cc1ccc(N2CCc3cc(O)ccc3[C@@]2(C)c2ccc(/C=C/C(=O)O)cc2)cc1F 1772623513 DPOZIINKXXKYMY-FWSSAACNSA-N 417.480 5.264 0 1 HKAF FC(F)(F)c1cnc2nc(N3CCc4c([nH]c5ccc(Cl)cc45)C3)sc2c1 1857584550 CKRPYUYNYROFCU-UHFFFAOYSA-N 408.836 5.408 0 1 HKAF CN(C)c1ccccc1-c1cnc2[nH]cc(-c3ccc(C(N)=O)c(C4CCCC4)c3)c2c1 1857637561 QBDIPIAOCRWZRY-UHFFFAOYSA-N 424.548 5.719 0 1 HKAF CC1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)O[C@@H]3Nc3cccc(F)c3)[C@H](C)CC[C@@]12C 1857639358 SHDSVQWMDUIAEO-XYCLDAKMSA-N 411.561 6.626 0 1 HKAF C[C@H](CO)CCC(=O)[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356469774 ANPHLQXCHVRCDX-XJEFBKKDSA-N 416.646 5.540 0 1 HKAF Cc1c(O)c2c(c3c1OC(C)(C)C=C3)OC[C@H](c1ccc(O)c3c1OC(C)(C)C=C3)C2 2356495195 JITKVSXJVUXXQE-OAHLLOKOSA-N 420.505 5.493 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@H](C)CCC(=O)O)CC[C@@H]32)C1 2356504105 FCQRLHQHKFKTQE-VXHJDCNTSA-N 418.618 6.078 0 1 HKAF Cc1cc(N2CCOCC2)nc2ccc(NC(=O)C3CCC(C(C)(C)C)CC3)cc12 3649672 IQDHEHOUUKOQAP-UHFFFAOYSA-N 409.574 5.171 0 1 HKAF Clc1ccc(Nc2nc(C(Cl)(Cl)Cl)nc3ccccc23)cc1Cl 5776937 WXFDNCCJWJSCRA-UHFFFAOYSA-N 407.515 6.507 0 1 HKAF C[S@@](=O)c1ccccc1CSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1 13474276 KRRCAAGRJZQAMA-LJAQVGFWSA-N 423.538 5.308 0 1 HKAF CNc1nccc(Nc2nc3ccc(C(=O)Nc4c(C)cccc4Cl)cc3s2)n1 13536616 VHVMXRDXEAVUPB-UHFFFAOYSA-N 424.917 5.086 0 1 HKAF O=C(O)[C@@H]1CCCN(CCCCCCCC(=O)N(c2ccccc2)c2ccccc2)C1 13801407 JSLKQSZFTIRHOA-JOCHJYFZSA-N 422.569 5.489 0 1 HKAF COc1ccc2c(c1CC=C(C)C)O[C@H]1c3cc4c(cc3OC[C@@]21O)OC(C)(C)C=C4 15203525 KSXMILLEKYOTIP-AZGAKELHSA-N 420.505 5.102 0 1 HKAF biogenic,in-vitro CN1[C@H](C[C@@H](O)c2ccccc2)CCC[C@@H]1CC(O)(c1ccccc1)c1ccccc1 17250384 JENMHGAQDBWNHC-OYUWMTPXSA-N 415.577 5.289 0 1 HKAF O=C(c1ccc(Cl)cc1)N1CCc2ccccc2Oc2c(Cl)cc(Cl)cc21 26399297 GJIZVQBDQVSRPU-UHFFFAOYSA-N 418.707 6.642 0 1 HKAF COc1ccc(-c2cc(Oc3cc(F)cc(F)c3)nnc2-c2ccc(OC)cc2)cc1 26404017 GLOIRRPJALTRST-UHFFFAOYSA-N 420.415 5.898 0 1 HKAF COc1cc2c(cc1OC)C[C@H](NCCC(c1ccccc1)c1ccccc1)CC2 27725373 BMPOBXZSYARUBU-XMMPIXPASA-N 401.550 5.373 0 1 HKAF COc1ccc([C@H]2C[C@H]2C(=O)O)cc1-c1cc2c(cc1C)C(C)(C)CC(=O)N2C(C)C 28952277 BMAVXZVUHVOIPQ-UYAOXDASSA-N 421.537 5.281 0 1 HKAF CC(C)n1cc(-c2cnc(N)c(O[C@@H](C)c3c(Cl)ccc(F)c3Cl)c2)cn1 35951326 JHPYCETZLQWNOY-NSHDSACASA-N 409.292 5.694 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C5(C)OCCO5)[C@@]4(C)CC[C@@H]32)C1 38308706 RKDVZUVKDIUZHM-DJKVCXMVSA-N 402.575 5.260 0 1 HKAF O=S(=O)(Cc1ccccc1Cl)Nc1ccc2c(ccn2Cc2ccccc2)c1 40846385 QMZRZSBKTJMQOV-UHFFFAOYSA-N 410.926 5.285 0 1 HKAF Cc1nnsc1C(=O)Nc1cccc(-c2csc(-c3nc4ccccc4[nH]3)c2)c1 45226485 XYKYTFONSCZTMY-UHFFFAOYSA-N 417.519 5.371 0 1 HKAF CCCCN(CCCC)CCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 45350917 WQJFPEPDESGORU-UHFFFAOYSA-N 423.553 5.837 0 1 HKAF Cc1cccc(Sc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)c1 71294875 DEVAGZIVWGRLGF-UHFFFAOYSA-N 404.643 7.728 0 1 HKAF Fc1ccc(-c2nc(NCc3ccccc3)ncc2-c2nc3ccccc3s2)cc1 82164889 JCBUULRAQACJNM-UHFFFAOYSA-N 412.493 6.172 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccccc2)nc2c(NCCc3cccc(F)c3)ncnc21 82179429 BVYGISAQJSWKSE-QGZVFWFLSA-N 403.505 5.333 0 1 HKAF CCc1nn2c(-c3c(C)cc(C)cc3OC)cccc2c1N(CCOC)CC1CC1 84740669 JEDQXMQJEBQCJD-UHFFFAOYSA-N 407.558 5.052 0 1 HKAF Fc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1Cl 95594886 DDYAACJBZNHGQG-UHFFFAOYSA-N 404.898 5.069 0 1 HKAF O[C@H]1CC[C@H](Nc2cc(-c3nc4ccccc4nc3-c3ccc(F)cc3)ccn2)CC1 100096705 PTMUCXXRIKGRQL-BGYRXZFFSA-N 414.484 5.213 0 1 HKAF Fc1ccc([C@H]2[C@@H]3CC[C@@H](C[C@H]2c2ccc(F)cc2)N3CCCc2ccccc2)cc1 100840791 HMCBNLGRMGUNCH-LAJGZZDBSA-N 417.543 6.702 0 1 HKAF COC[C@H](C)NC(=O)c1cc(-c2cncs2)cc(-c2ccc(F)cc2Cl)c1 113763390 PFVOLERZFSSMML-LBPRGKRZSA-N 404.894 5.034 0 1 HKAF COc1ccc(-c2cc(N[C@@H](C)c3cccc(-c4cnn(C)c4)c3)nc(C)n2)c(F)c1 143956893 ACWPOUREYFAPKF-HNNXBMFYSA-N 417.488 5.173 0 1 HKAF CCOC(=O)c1ccc2c(c1)nc(-c1ccc(C(F)(F)F)cc1)n2-c1ccccc1 169353541 PVRNLHNPYWVLHE-UHFFFAOYSA-N 410.395 5.888 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4Cc5oc(C(=O)C(F)(F)F)cc5C[C@@]43C)[C@H]1CC[C@@H]2O 169372228 BHPRNKARHZGVNR-KPDZWOPNSA-N 410.476 5.343 0 1 HKAF O=C(N[C@@H](c1ccccc1)c1ncccc1C(F)(F)F)c1ccc2cccnc2c1 205236150 SJTMLURACBBWQI-FQEVSTJZSA-N 407.395 5.168 0 1 HKAF C/C=C(/C)C(=O)O[C@@H]1CC(C)(C)[C@H]2CC=C(C)[C@@H](CC/C(C)=C\C(=O)O)[C@]2(C)C1 238738008 LEMSFGHOXFQURQ-GLBIYOOKSA-N 402.575 6.084 0 1 HKAF CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@H]2O[C@H]3CC[C@](C)(O3)[C@H]3CC[C@]1(C)[C@@H]32 255274136 VUSLQOQDDBPUTM-JODYNMCKSA-N 414.630 6.145 0 1 HKAF Oc1cccc(CCCCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 586895844 BMFOAUPHIQQVIB-UHFFFAOYSA-N 413.237 5.615 0 1 HKAF CC(C)CCOc1ccc(Br)cc1-c1nc2cc(Cl)c(F)cc2[nH]1 586982148 SAYOXZQQTORYRM-UHFFFAOYSA-N 411.702 6.210 0 1 HKAF C[C@@H]1CCc2sc(-c3nc4c(C(F)(F)F)c(Br)ccc4[nH]3)cc2C1 587034336 SMQAFJKBQFYGOV-MRVPVSSYSA-N 415.278 6.198 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(C)nc5[nH]4)c23)cc1 587039528 VAIKUIOBZLCNGB-UHFFFAOYSA-N 403.536 5.539 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Cl)ncc2[nH]1)c1cccc(Cl)c1 587072595 YXDANBBRHVBRAS-ZDUSSCGKSA-N 407.301 5.073 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(Br)c(F)cc2[nH]1 587074477 VWCWPMJOXRDWDR-UHFFFAOYSA-N 415.693 6.760 0 1 HKAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cc(Oc3ccccc3)ccc2[nH]1 587077075 QKDWDZKNVSMHNL-UHFFFAOYSA-N 413.864 6.443 0 1 HKAF Cc1cc(O)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1Br 587102460 UDKLOXQJCMDODV-UHFFFAOYSA-N 416.274 5.890 0 1 HKAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C(C)(C)C)cc2[nH]1 587113012 NOALLNDZDVGRPD-NRFANRHFSA-N 403.448 5.279 0 1 HKAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(OC(C)C)cc2[nH]1 587122077 PLMVOBGGMUAFKH-UHFFFAOYSA-N 401.388 5.772 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(Br)cc3[nH]2)c1 587157532 AXOBIVFGIMVLGQ-UHFFFAOYSA-N 411.274 5.731 0 1 HKAF Cc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)sc1Br 587209982 ZHIADZLXXZOQBB-UHFFFAOYSA-N 406.304 6.246 0 1 HKAF CC[C@@H]1S[C@H](C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H]1C 587373045 KTOXKUAWHPCPAY-QHEIKPJUSA-N 400.515 5.569 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3cccc(Cl)c3)c1Cl)O2 587379267 HBEXMJMBIRZQRP-KRWDZBQOSA-N 402.281 5.085 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C3CCCC3)[nH]c3ccc(C(C)(C)C)cc13)O2 587395966 HLOVPSIJYCKROQ-QHCPKHFHSA-N 416.565 6.720 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(F)(F)F)ccc1C(F)(F)F)CC2=O 587461471 MTLREMXTGKMFQM-QGZVFWFLSA-N 418.333 6.089 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccnc1Oc1ccc(Cl)cc1)CC2=O 587461587 LGBSYRTUFQVITN-NRFANRHFSA-N 409.869 5.892 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCCC(=O)O)(c1c(C)cc(C)cc1C)CC2=O 587490823 RYPXMLLALILQDX-VWLOTQADSA-N 410.510 5.386 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 587509771 IYTSCVOTNIHWEV-KNQAVFIVSA-N 421.537 5.555 0 1 HKAF Cc1cc(CN2CCCC[C@H]2C)c(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587517677 RYIHOJNCACJKNM-XHCCPWGMSA-N 417.593 6.263 0 1 HKAF Cc1cc(C)cc(OCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 587564294 HVOCHUOIVGUQRP-UHFFFAOYSA-N 415.209 5.420 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(F)cc2)cc1 587567414 AGCIROFEDSYWFH-ZEQKJWHPSA-N 412.416 5.901 0 1 HKAF Nc1ccccc1[C@]1(C2CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581985 YGIXNFWKIVPGTR-DHLKQENFSA-N 401.462 5.022 0 1 HKAF O=Cc1cccc([C@@]2(C3CCCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587604215 VHOPHVZGAGJGNJ-ZEQKJWHPSA-N 414.457 5.252 0 1 HKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc1Br 587613185 MQCFXDYDZCVMSC-MAUKXSAKSA-N 417.280 5.228 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c1oc1ccccc12 587617518 QAHRBJPURSISIH-ATIYNZHBSA-N 408.409 5.995 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2ccsc2)c1 587620399 YZTTVOVJKHPCEQ-XUZZJYLKSA-N 400.455 5.824 0 1 HKAF O=C(c1ccccn1)c1c(-c2ccco2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628298 RTAZYCGAFOXGCH-UHFFFAOYSA-N 424.300 6.092 0 1 HKAF CCOC(=O)c1c(-c2cc(F)c(F)c(OC)c2F)[nH]c2cc(Cl)c(F)cc12 587629250 GTIFZWKAQJPDST-UHFFFAOYSA-N 401.743 5.230 0 1 HKAF Fc1cccc2[nH]c(-c3ccc(Br)cc3)c(Nc3ccc(Cl)cc3)c12 587632614 LZPXLDHHDRUNHH-UHFFFAOYSA-N 415.693 7.134 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2OCC2CC2)N1 587730121 IQBUYBLZRFJQOO-PRWKNARSSA-N 408.286 5.140 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2N)(C2CCCC2)N1 587745286 DZZNJFAZDCGCQG-ZSEKCTLFSA-N 403.339 5.138 0 1 HKAF CCOc1cc(CC[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587801654 MYYZTYIBOYKZPV-LRTDBIEQSA-N 422.338 5.075 0 1 HKAF CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCC)c1 587802428 RSFFTJDWKOWXQK-YUNKPMOVSA-N 408.311 5.009 0 1 HKAF Cc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)o1 587832164 YWPRRUWHJSLYBJ-XUSGNXJCSA-N 400.291 5.780 0 1 HKAF COc1ccccc1SCC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587863048 BQPYEFYHULYGDP-UHFFFAOYSA-N 422.428 5.019 0 1 HKAF O=C(c1ccccc1OCc1ccccc1Cl)n1nc2cc1Oc1ccc(F)cc1-2 587874324 VDRZGZBNENUZGO-UHFFFAOYSA-N 420.827 5.716 0 1 HKAF Oc1ccc(OCCCc2ccccc2)n1CC1CCN(Cc2ccc(F)cc2)CC1 587946148 KCXGMGBJUNECDH-UHFFFAOYSA-N 422.544 5.257 0 1 HKAF CO[C@@H](C)COC1CCC(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CC1 587951858 JDHUBGJKQCICIC-UNXYVOJBSA-N 406.832 5.193 0 1 HKAF COc1ccc(CC[C@]2(c3ccc(OC)cc3)NCCc3ccc(F)c(C)c32)cc1 962303153 VHIHZSIOUQRPLK-AREMUKBSSA-N 405.513 5.173 0 1 HKAF COc1cc2c(cc1OC)[C@@H](c1ccc(-c3cccc4ccccc34)o1)N(C)[C@@H](C)C2 962625293 DTQQYCCQUAAPCC-SOKVYYICSA-N 413.517 6.083 0 1 HKAF COc1ccc(OCc2ccccn2)c([C@H]2NCCc3cc(-c4ccccc4)ccc32)c1 962670968 VSAILSURFVXSKG-NDEPHWFRSA-N 422.528 5.571 0 1 HKAF CC(C)CCN1C(=O)[C@]2(c3ccccc31)c1ccsc1CCN2Cc1ccco1 962702660 GDOAEAZXJQEOII-DEOSSOPVSA-N 406.551 5.036 0 1 HKAF Cc1sc2c(c1C)CCN[C@H]2c1cccc(Oc2cc(Cl)cc(Cl)c2)c1 963005123 DBGARRCPJHJWEZ-FQEVSTJZSA-N 404.362 6.699 0 1 HKAF C[C@@H]1C[C@@H](C(=O)Nc2nc3ccc(SC(F)(F)F)cc3s2)CC(C)(C)C1 1857648068 NTFMEXKSFNJAHD-GHMZBOCLSA-N 402.507 6.309 0 1 HKAF CN1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1 1857774692 GNGNUDRNKYYQHN-UHFFFAOYSA-N 416.956 5.069 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356412763 AMBIHAYAXSFGSZ-XAPRCGGASA-N 412.702 7.945 0 1 HKAF CC1=C2C=C[C@]3(C)[C@H]([C@H](O)C[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@]2(C)CC1 2356558018 JPVAZROWIZUKBT-MLRZKZEASA-N 412.658 6.280 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCCC1=CC[C@@H](C2=CC(=O)O[C@H]2O)OC1 2356798408 PGGSNPKCZWHNGG-UKILVPOCSA-N 400.559 5.703 0 1 HKAF CC(C)[C@@H](C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1c(F)cccc1Cl 2484731 JPSKACDDWIUGBO-GFCCVEGCSA-N 404.844 5.715 0 1 HKAF CC1(C)CC(=O)c2c(SCCOC(=O)Nc3ccccc3)sc(C#N)c2C1 5191045 ORHVWVQKQCGCJK-UHFFFAOYSA-N 400.525 5.116 0 1 HKAF CCOC(=O)Nc1ccccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1 13531313 ZDVAPIURGKFNMX-UHFFFAOYSA-N 408.885 6.191 0 1 HKAF COc1ccccc1N1CCN(CCCC[C@@H]2CCCc3c(OC)cccc32)CC1 13740680 FKAHRAYTSLFRRL-OAQYLSRUSA-N 408.586 5.116 0 1 HKAF Fc1ccc([C@H](NCCc2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1 20178319 UPYBXAYBVOGNNM-NRFANRHFSA-N 407.876 5.451 0 1 HKAF COc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2cc(F)cc(F)c2)cc1 27194917 VAETZINCCNPEDR-DNQXCXABSA-N 407.460 5.700 0 1 HKAF CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccc(Cl)cc4)c3c2C)cc1 28569153 UKOKWGYNRLBMBQ-UHFFFAOYSA-N 420.944 6.010 0 1 HKAF CC(=O)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CC[C@@H]1CC(=O)O 29055448 SVFUPOYIACPYGR-GFCCVEGCSA-N 417.889 5.750 0 1 HKAF CCCCc1cc(=O)oc2c3c(c4c(c12)O[C@H](c1ccccc1)C=C4)O[C@@H](C)CC3=O 29133177 KYAMLCNSTRSCGH-YWZLYKJASA-N 416.473 5.636 0 1 HKAF S=C(Nc1ccc(-c2n[nH]c(=S)n2C2CCCCC2)cc1)NC1CCCCC1 29412612 RSUMNKZSQUBVBH-UHFFFAOYSA-N 415.632 5.732 0 1 HKAF CCN(Cc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl 38149642 JGXYOLQIFQNEAN-UHFFFAOYSA-N 411.773 5.679 0 1 HKAF COc1ccccc1SC[C@H](CN[C@@H]1COc2ccccc2SC1)C(C)C 38395321 IPJBQLCNFFDPDU-ZWKOTPCHSA-N 403.613 5.202 0 1 HKAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cccc(C)c2[nH]1)C(F)(F)F 38480145 AXAIJGRNQQORMC-QFIPXVFZSA-N 423.450 5.828 0 1 HKAF CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 40393247 WSQUIVAMQQXLNJ-UHFFFAOYSA-N 416.908 5.720 0 1 HKAF Cc1cnc(C(=O)Nc2cccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)c2)cn1 45202512 CSQGIFDAZCRZTG-UHFFFAOYSA-N 423.451 5.387 0 1 HKAF CC/C(=C(\c1ccccc1)c1ccc(OC)c(O)c1)c1cc(OC)c(OC)c(OC)c1 45339945 BFGQIESXNRVOAN-QQTULTPQSA-N 420.505 5.796 0 1 HKAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1cc(-c2ccsc2)nc2ccc(OC)cc12 58672652 CCUUAAWNWMSJJT-XKFBCCIWSA-N 408.567 5.126 0 1 HKAF O=C1CS[C@@H](c2cccs2)N1CCCCNc1ccnc2cc(Cl)ccc12 72108568 SWUSVQMJNHJILE-FQEVSTJZSA-N 417.987 5.416 0 1 HKAF CC(=O)c1c(C)nc2c(c(C#N)cn2Cc2ccccc2)c1-c1ccc([N+](=O)[O-])cc1 72322326 IULKTCFQVAEFOA-UHFFFAOYSA-N 410.433 5.043 0 1 HKAF FC(F)(F)c1ccccc1Oc1ccc(Nc2ncnc3cc[nH]c23)cc1Cl 73388580 LVNYQEFSHJDOCT-UHFFFAOYSA-N 404.779 6.166 0 1 HKAF Cc1ccc(CNc2ncc(-c3nc(C)c(C)s3)c(-c3ccccc3C)n2)cc1 82177660 PTVRHSQHJPTKFC-UHFFFAOYSA-N 400.551 6.113 0 1 HKAF CC[C@H](C)Cn1c(CCc2ccccc2)nc2c(NCc3cccc(F)c3)ncnc21 82184574 BHTGIACCWHLAIO-SFHVURJKSA-N 417.532 5.409 0 1 HKAF Nc1nccn2c(C3CCC3)nc(-c3ccc(Oc4ccccc4)cc3C(F)(F)F)c12 96168065 XBTBXISDEVWRDM-UHFFFAOYSA-N 424.426 6.057 0 1 HKAF CCOc1cccc(CC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1 103245027 OAFHXXLDJMFMEK-UHFFFAOYSA-N 417.328 5.153 0 1 HKAF CCOC(=O)[C@@](C)(Cc1ccccc1)c1csc2c(-c3ccc(Cl)cc3)cnn12 115656718 BBEDZQIJJGXNCF-QHCPKHFHSA-N 424.953 5.780 0 1 HKAF CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc(C)o2)[C@H]2C(=O)CC(C)(C)CC2=N1 169688119 WFJKPVCDYXVPPB-DHIUTWEWSA-N 404.510 5.353 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4[C@H](C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255260289 PZELUKPNJYWGOY-AIAVLVQBSA-N 400.691 7.635 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC=C3[C@H]4CC[C@H]([C@H](C)/C=C/CC(C)C)[C@@]4(C)CC[C@H]32)C1 255279110 WYYWMDKEJYOPEU-LYKQPGHASA-N 424.669 7.656 0 1 HKAF Cc1ccc(SCc2nc3cc(OC(C)C)c(Br)cc3[nH]2)c(C)c1 586963988 UDAPVIGHCAAHCC-UHFFFAOYSA-N 405.361 6.022 0 1 HKAF COc1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Cl 586986002 UADQKWYQYBEFPS-GOSISDBHSA-N 420.738 5.173 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(Br)s3)nc3ccc(O)c1c23 586993302 FMQVCJABWOLRNB-UHFFFAOYSA-N 408.276 5.643 0 1 HKAF CC(C)Oc1cc2[nH]c(C(=O)Nc3ccccc3Cl)nc2cc1Br 587060947 XHUWKDHMOITKSV-UHFFFAOYSA-N 408.683 5.018 0 1 HKAF FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4cnc(Cl)cc4[nH]3)n2n1 587120072 PUVNTJUKCSIEQJ-UHFFFAOYSA-N 414.778 5.007 0 1 HKAF Fc1ccc(Oc2ccc(-c3nc4cncc(Cl)c4[nH]3)cn2)c(Br)c1 587160991 ILMXELUSTZWAHV-UHFFFAOYSA-N 419.641 5.367 0 1 HKAF Fc1ccc(/C=C(\c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c2cccs2)cc1 587164645 UQOYOFPIUQDZLV-FLIBITNWSA-N 424.810 5.766 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1sc(Br)nc1CC3 587207459 FBPAIESJACNOFH-UHFFFAOYSA-N 419.303 5.431 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3nc(Cl)ccc32)[C@H]1c1ccc(F)cc1 587329324 LBOBQEXUDGQFPD-JTHBVZDNSA-N 409.844 5.170 0 1 HKAF CCCC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332927 KIUOAZJQERHWER-ZCYQVOJMSA-N 408.444 6.115 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCc1cccc(Br)c1)(C(C)(C)C)O2 587375707 FOONGKJVCSQRQZ-QFIPXVFZSA-N 416.359 5.723 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1Cl)(C1CC1)O2 587375954 GBHFSRYAVKEOQG-IBGZPJMESA-N 406.707 5.264 0 1 HKAF COC(=O)c1ccc(F)c(-c2cccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)c1 587381352 HUVCZMFPAYZQBF-VWLOTQADSA-N 419.452 5.051 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(F)c(F)c3)nc3ccc(C)cn13)O2 587384650 GZVLNAGHVOWKCE-HXUWFJFHSA-N 419.431 5.185 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1cccc(Br)n1)[C@@H](C2)C3=O 587417006 ICXJZRPUVBSDIU-AOMKIAJQSA-N 422.278 5.008 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccccc3F)cc1)CC2=O 587469380 YXUMWYYAQUKBEL-DEOSSOPVSA-N 406.453 5.769 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1nc3c(s1)C[C@H](c1ccccc1)CC3)CC2=O 587492513 AJMHLTLWOXEHIA-ZHRRBRCNSA-N 419.546 5.780 0 1 HKAF C[C@]1(c2ccc(OCc3ccccc3)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587506045 OBAIPDZJJBPLQU-HHHXNRCGSA-N 416.492 6.164 0 1 HKAF CCOc1cc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCC 587509772 XEQYTVQTDIOEKF-HXUWFJFHSA-N 400.902 5.723 0 1 HKAF CCOC(=O)c1ccc(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587510707 CJRLRTJWCKMHSO-DEOSSOPVSA-N 415.489 5.239 0 1 HKAF O=C1C[C@@H](c2ccc(OCc3ccccc3)cc2O)Oc2c1ccc1c2CCCC1 587522912 IZVSRENCLQZSLL-VWLOTQADSA-N 400.474 5.557 0 1 HKAF O=C1C[C@@H](c2cccc(S(=O)(=O)CC3CCCC3)c2)Oc2c1ccc1c2CCCC1 587532075 MQSSDESDUSHNFM-DEOSSOPVSA-N 424.562 5.236 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cc(Cl)nc1Cl 587554926 YKSDSJZDGOEOAX-MAUKXSAKSA-N 422.651 5.450 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(F)cc2)s1 587574407 ZORHSDBSGNHVLH-XUZZJYLKSA-N 418.445 5.963 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C2CCCCC2)s1 587612180 KUTIKMVFDYIGFK-QPPBQGQZSA-N 406.503 6.204 0 1 HKAF CC1(C)COC(CCc2c(-c3ccccc3F)[nH]c3ccc(F)c(Cl)c23)OC1 587629235 GITPZZZSRYJDSQ-UHFFFAOYSA-N 405.872 6.098 0 1 HKAF O=C(O)c1cccc2c([C@@H](C(=O)O)c3cccc(F)c3)c(-c3ccc(Cl)cc3)[nH]c12 587637465 JPPIJZNBMKTODB-SFHVURJKSA-N 423.827 5.542 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2c(Cl)cccc2Cl)N1 587694683 PZQFDIJJBGLIQN-XTZNXHDOSA-N 417.149 5.887 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCN(Cc3ccccc3)C2)N1 587767987 SKXUANLJAKUQJH-AOMKIAJQSA-N 417.366 5.004 0 1 HKAF CCC[C@@H](CC1(c2nc3cc(C)cnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782731 XGENBYRGYJJXKT-FQEVSTJZSA-N 405.542 5.628 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccccc3)o2)N1 587825576 AYBSGULSYQNEET-ASSNKEHSSA-N 416.290 5.384 0 1 HKAF COc1ccc([C@@]2(c3ccco3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587826658 GDYSYMKIRZFOKO-ZSEKCTLFSA-N 416.290 5.016 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccccc1CC 587858821 NCALQHLERUNNAN-UHFFFAOYSA-N 419.308 5.537 0 1 HKAF O=C(O)CCCCCCCCCCCCc1nc2cc(Cl)c(F)c(F)c2[nH]1 587957131 HIJKGPSLYQJRKV-UHFFFAOYSA-N 400.897 6.413 0 1 HKAF Brc1ccc(Br)c2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc12 587965875 ZHMBIYWVRUPELU-UHFFFAOYSA-N 422.164 5.927 0 1 HKAF O=C(c1ccc(OC(F)(F)F)c(F)c1)N1c2ccccc2Sc2ccccc21 653915998 PSHVZIFCNUTHRW-UHFFFAOYSA-N 405.372 6.167 0 1 HKAF C[C@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]2[C@H]1C 685935629 DIFWJJFSELKWGA-PNKJLLAJSA-N 424.713 8.233 0 1 HKAF biogenic,in-vitro Cc1cc2c(cc1F)[C@]1(CCC[C@@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C)NCC2 962090203 HFWNPURMAWMYIV-UTSGNWPNSA-N 402.554 5.065 0 1 HKAF Cc1ccccc1C[C@@]1(C(F)(F)F)c2ccsc2CCN1Cc1cccn1C 962372092 GYXCVRNTTJLRQB-NRFANRHFSA-N 404.501 5.454 0 1 HKAF CC(C)(C)[C@]1(c2cccs2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962646040 SLZWPXXHXNLRGX-ATIYNZHBSA-N 402.607 5.785 0 1 HKAF Cc1cccc(CC[C@@]2(c3ccc(C)c(C)c3)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963037798 WBQWIKVHJNTRNT-BTYSJIOQSA-N 424.588 5.542 0 1 HKAF Cc1cccc(CC[C@]2(c3ccc(C)c(C)c3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963037809 WBQWIKVHJNTRNT-MUAVYFROSA-N 424.588 5.542 0 1 HKAF Cc1ccccc1[C@]1(c2cnc3ccccc3c2)c2ccc(F)cc2C[C@H]2CCCN21 963115927 WHISMLASJJBGJT-UFHPHHKVSA-N 408.520 5.995 0 1 HKAF COc1ccccc1CSc1nc2ccc(C)cc2c(=O)n1Cc1cccs1 1857541582 MEUIECDXOZAKDT-UHFFFAOYSA-N 408.548 5.116 0 1 HKAF O=S(=O)(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc(C(F)(F)F)cc1 1857548921 WVOXPLQUMVLIKP-UHFFFAOYSA-N 418.396 5.314 0 1 HKAF O[C@H](c1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn12)[C@H]1CCCN1 1857653598 IEYYQDNXXXURNS-YKSBVNFPSA-N 403.913 5.107 0 1 HKAF COC(=O)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356519141 PMSBFIOIWUJZFP-CJMPRBOWSA-N 414.630 6.360 0 1 HKAF CCC1=C[C@](C=Cc2ccccc2)(CC)[C@](CC)(C(=O)O)[C@@H]2[C@H](C)C(=O)[C@@H](CC)[C@@H]12 2356681148 IJBZGABOCOJLTC-RSZPKTJSSA-N 408.582 6.405 0 1 HKAF COCCNc1nc(Nc2ccc(C)cc2C)c2sc(-c3ccccc3)cc2n1 61904208 XJSLQGFAPYFWIS-UHFFFAOYSA-N 404.539 5.777 0 3 HKAF CCCCCc1oc(CCCCCCCCCCC(=O)[C@@H](CO)NC(C)=O)cc1C 13382611 XUCVFGSDHXEBNT-HSZRJFAPSA-N 421.622 5.440 0 1 HKAF biogenic CCCN(CCC)CCCc1cc(Br)ccc1OCCc1ccccc1 13795800 PEDAAYQDDCDPGB-UHFFFAOYSA-N 418.419 6.125 0 1 HKAF C/C=C/CN1CC[C@@H](N(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)[C@@H](C)C1 13862299 XHUJQXLCJLMOGR-OEUYHZQVSA-N 419.613 5.593 0 1 HKAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(CC(C)(C)C)oc12 26270573 OCELOSKSDRCMQK-UHFFFAOYSA-N 407.297 5.984 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@](C)(C[C@@H](O)C3=CC(=O)O[C@@H]3O)CCC[C@]12C 26974429 JSDANYFQRXTLHP-WHXXUNOKSA-N 406.607 5.224 0 1 HKAF O=C(O)c1ccccc1C(=O)Nc1ccc(Cn2ccnc2CC2CCCCC2)cc1 28761058 UZYYBDPZUPQNHI-UHFFFAOYSA-N 417.509 5.005 0 1 HKAF COc1cccc2c1-c1ccc3c(c1[C@@H]([C@@H]1C=CCCCC1)O2)C(C)=CC(C)(C)N3 29467975 ICPSJRDYGBVYFW-WXTAPIANSA-N 401.550 7.150 0 1 HKAF O=C(Nc1ccc(O[C@@H]2CCN(Cc3ccccc3)C2)c(Cl)c1)c1cccs1 45192737 BPAMTVOERYFKPA-GOSISDBHSA-N 412.942 5.307 0 1 HKAF CN1CCN(c2cc(NC(=O)Nc3cccc(Cl)c3Cl)ccc2Cl)CC1 45201138 TWNJPPSBWLZKPR-UHFFFAOYSA-N 413.736 5.043 0 1 HKAF COc1ccc(CNCC2CCC(CNCCc3ccccc3)CC2)cc1Cl 45210807 SWLZORODCGAMPX-UHFFFAOYSA-N 400.994 5.077 0 1 HKAF Nc1ccccc1NC(=O)c1ccc(CNCc2cccc(-c3cccs3)c2)cc1 49803720 QXKIMGGQVKSGKD-UHFFFAOYSA-N 413.546 5.539 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCCC(C)C 85428421 GRLXJCXKCQTPKQ-AAJYLUCBSA-N 412.746 10.685 0 1 HKAF CCCCC[C@H](O)/C=C/C(=C/CCCCCCCC(=O)O)Cc1cccc(O)c1 85490977 AFQXEDJRLDNVOM-IMFOIHBISA-N 402.575 6.174 0 1 HKAF biogenic,in-vitro Nc1nc(-c2ccc(OCc3ccccc3)cc2O)cc(-c2ccccc2Cl)n1 98082159 CCGCBYXVNGWBDS-UHFFFAOYSA-N 403.869 5.331 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-c2ccccc2)n1 98176758 GVSNKGIZAYGOSN-OAQYLSRUSA-N 402.494 5.020 0 1 HKAF Clc1ccc(-c2nn(Cc3ccccc3)nc2-c2ccc(Cl)cc2Cl)cc1 103208707 UQQDHDHFGBCECR-UHFFFAOYSA-N 414.723 6.621 0 1 HKAF COc1ccc([C@@H]2[C@@H](c3ccccc3)C(=O)C[C@H](c3ccc(OC)cc3)N2C#N)cc1 169290541 NIWJUDBSUARHMP-DMTNHVFBSA-N 412.489 5.026 0 1 HKAF O=C(O)C[C@@H](NC(=O)c1cccc(-c2ccccc2Cl)n1)c1ccccc1Cl 203336856 KVVDYOSLDAHMBN-LJQANCHMSA-N 415.276 5.001 0 1 HKAF Cc1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1 221123149 PSVTZBLEFONQPD-NYYWCZLTSA-N 420.461 6.612 0 1 HKAF CN1CCc2ccc([C@@H]3C[C@H]3c3ccc4cc(C(=N)N)ccc4c3)cc2[C@H]1C(C)(C)C 261140420 MYVWVEULEWPQGP-GNKBHMEESA-N 411.593 5.970 0 1 HKAF Cc1ccc(-c2nc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c(C)s2)cc1 587013346 LHZZDFVSDQMLPF-UHFFFAOYSA-N 424.398 6.019 0 1 HKAF Fc1cc(Br)cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587051547 TZVLRWGQVBLWDR-DTWKUNHWSA-N 400.078 6.042 0 1 HKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2)cc1 587067812 QNCMNSCRDRZUII-UHFFFAOYSA-N 420.793 6.201 0 1 HKAF Oc1c(Br)ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587083417 SRMLCGPVUXDJPN-UHFFFAOYSA-N 409.070 5.553 0 1 HKAF O=C(O)CCCOc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587108215 XHVTYNAIVSLKGD-UHFFFAOYSA-N 409.441 5.357 0 1 HKAF Oc1c(Br)ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 587136853 OSNXLBGMPOSWRC-UHFFFAOYSA-N 420.463 5.253 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4ccc(Br)nc4[nH]3)c(Cl)c2)cc1F 587145780 QLBXENJSXUSYRX-UHFFFAOYSA-N 416.681 6.155 0 1 HKAF Oc1c(Br)ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587151310 HCHMSTBZCYBZSX-QGZVFWFLSA-N 412.262 5.372 0 1 HKAF COc1cccc(-c2cc(F)cc(-c3nc4cc(Br)c(F)cc4[nH]3)c2)c1 587160563 WKGVMGWNMARTCO-UHFFFAOYSA-N 415.237 5.946 0 1 HKAF Cc1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cc1Cl 587182093 DXWHJYZHNAMZTH-UHFFFAOYSA-N 403.050 5.450 0 1 HKAF Cc1ccc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2c1 587349798 CSRCDQDDQXLBQH-AHKZPQOWSA-N 412.460 6.267 0 1 HKAF Cc1cc(C)c2c(c1)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352634 NDNPDTKSLZESJM-AZGAKELHSA-N 402.465 5.739 0 1 HKAF COc1cccc(-c2c([C@@H](C)C(=O)O)c(-c3ccccc3)nc3c2oc2ccccc23)c1 587367510 SKLODGGXUIJEFB-MRXNPFEDSA-N 423.468 6.512 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cccc1NC(=O)OC(C)(C)C)O2 587377890 ZUHZHLUMSJFXDD-QGZVFWFLSA-N 402.878 5.284 0 1 HKAF Cc1ccc(COc2ccc(Cl)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587379981 ZWZQAXUIIBVAAH-QHCPKHFHSA-N 407.897 5.825 0 1 HKAF CCC[C@@]1(c2ccc(Cl)c(Br)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414083 RRBAHDCUNWOPDU-VLIAUNLRSA-N 421.718 5.554 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cc(C(=O)O)ccc4Cl)cc1)[C@@H](C2)C3=O 587424311 YTVBOBATZVYSJU-MBSDFSHPSA-N 420.848 5.203 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(Br)ccc2C[C@H]1C 587457761 MMLZFDYYJJDESO-GTJPDFRWSA-N 401.300 5.160 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1OCc1cccnc1)CC2=O 587460403 FZUXJJJYKTVZIS-QHCPKHFHSA-N 423.896 5.679 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Sc1ccc(OC)cc1)CC2=O 587491825 NIVUBRQLUZKWOL-HSZRJFAPSA-N 420.530 6.211 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1nc3c(s1)C[C@@H](c1ccccc1)CC3)CC2=O 587492509 AJMHLTLWOXEHIA-AOMKIAJQSA-N 419.546 5.780 0 1 HKAF O=C(O)CC[C@@]1(c2cc(Cl)ccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587504992 KGMURZWNLUJXLE-QFIPXVFZSA-N 419.304 5.598 0 1 HKAF CC(C)=CCOc1ccc(CC[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525033 PFBJFXBMLXOGAE-HHHXNRCGSA-N 404.550 6.267 0 1 HKAF Oc1nc(O)c2ccc(-c3ccccc3-c3cccc(OCc4ccccc4)c3)nc2n1 587558703 CGGRTWKNFXOCGQ-UHFFFAOYSA-N 421.456 5.349 0 1 HKAF Cc1cccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587579217 TWHPNMGGYCTPHE-OZXSUGGESA-N 411.457 5.503 0 1 HKAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(C)(C)C 587594643 OZZLYTHHXJPMFJ-GJZUVCINSA-N 418.489 5.575 0 1 HKAF CC(C)CCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587599705 YZOMMTBNPAOJFE-WIOPSUGQSA-N 404.462 5.520 0 1 HKAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1ccc2ccccc2c1 587623120 LLCPQNRZFIYCIB-UHFFFAOYSA-N 419.282 5.521 0 1 HKAF Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]c2ccc(Cl)cc12 587699286 PVHILRGPXFOOJS-ZRNGKTOUSA-N 407.714 5.655 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cnc(Cl)cc3c2)N1 587707449 VUOFPMBDYBYTAM-OVWNDWIMSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CF)(c2ccc(C(F)(F)F)cc2)N1 587710436 CUIPVYNNCGIEGR-BTDLBPIBSA-N 420.219 5.354 0 1 HKAF CC[C@]1(c2ccccc2OC(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587722022 XOYBUHGAMRVXCW-JEOXALJRSA-N 414.265 5.377 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccccc2F)N1 587730695 XNRZYGSYKWIYAP-ODXCJYRJSA-N 403.270 5.142 0 1 HKAF CCCOc1c(OCC)cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587789964 DJJUAKOEDIIFRE-XCLFUZPHSA-N 422.338 5.399 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OC(C)(C)C)cc2)N1 587795651 RZAXNVXSJPPPBB-ZSEKCTLFSA-N 406.339 5.563 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CC[C@H]2Cc2ccccc2C1 587832672 ZRFHFPHENJQJJW-KKXDTOCCSA-N 400.335 5.143 0 1 HKAF CCCCCC[C@@]1(c2ccc(O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587834691 SUJKIPUYNOAPFJ-QRQCRPRQSA-N 420.366 6.042 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2csc(Br)c2)N1 587850251 YDMSLLPIEMWYJW-AYVTZFPOSA-N 419.157 5.210 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1csc2c1CCCC2 587860784 CLWIOJQRBQCWET-UHFFFAOYSA-N 421.349 5.884 0 1 HKAF COc1ccc2c(c1)[C@H](c1c(C)c(C)n(-c3cccc(C)n3)c1C)N(C(C)C)CC2 962095581 VOSAUSKPEGRCIX-AREMUKBSSA-N 403.570 5.470 0 1 HKAF CCCCc1ccc([C@]2(c3ccc(C)cn3)N[C@@H](CC)Cc3c2[nH]c2ccccc32)cc1 962949325 LMRDADGPMRIAPS-MUAVYFROSA-N 423.604 6.430 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2sc(-c3ccc(Cl)cc3)nc2C)N1 962959941 RKNKJIWNCFTGGK-XDHUDOTRSA-N 421.997 6.441 0 1 HKAF CSc1cccc([C@@]2(c3cc(F)ccc3F)NCCc3c2sc(C)c3C)c1 963007075 FZBYZGFBQOAMPI-QFIPXVFZSA-N 401.547 5.803 0 1 HKAF COc1ccc2c3c(ccc2c1)OCN(c1nc(-c2ccc(Cl)cc2)cs1)C3 1857649971 XMGPWCLQZBAGQL-UHFFFAOYSA-N 408.910 5.982 0 1 HKAF CC1=C[C@H](CNCc2cccnc2)[C@@H](C(C)C)C[C@@H]1Cc1nc2cccc(C)c2[nH]1 2356287008 VTQNUZCDPAOAKQ-DNVJHFABSA-N 402.586 5.453 0 1 HKAF Cc1cc(O)c(C)c2c1O[C@H](C)[C@H](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C2 2356329200 XLZYQCZUAFIJEN-OVSMBABESA-N 416.690 8.388 0 1 HKAF CC(=O)O[C@@H]1CC=C(C)[C@H](CCC(C)=CCOc2ccc3oc(=O)ccc3c2)C1(C)C 2356384038 JKNIEMKYGWMWJI-LADGPHEKSA-N 424.537 5.822 0 1 HKAF CC(=CCCC(C)=CCCC(C)=CCC[C@]1(C)CCc2cc(O)cc(C)c2O1)CO 2356400538 CAGBDTBNTAQAEH-HHHXNRCGSA-N 412.614 6.956 0 1 HKAF CC(=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)[C@@H](C)C(C)C 2356515367 MGWRVECYAHBEFQ-CGAANGAJSA-N 412.702 7.801 0 1 HKAF CC[C@@H]1[C@H](C[C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C1(C)C 2356668938 HRNVWBIKQMSFHI-AGCBMDRVSA-N 412.702 7.635 0 1 HKAF CC(=O)O[C@@H]1C=C2[C@@H]3CC=C4CO[C@H](O)[C@@H]4[C@]3(C)CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@@H]12 2356799246 UFDBXWQFWFNVOO-MKGZRWSYSA-N 414.586 5.018 0 1 HKAF Clc1cccc(Cc2c(C3CCCCC3)nc3ccc(Br)cn23)c1 72104544 TWSBEBAFVRDHPQ-UHFFFAOYSA-N 403.751 6.389 0 3 HKAF COCCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(C(C)C)cc1 2481069 FMKYQSKKRBOQDD-UHFFFAOYSA-N 412.917 5.552 0 1 HKAF Cc1ccc(C)c(CN2C(=O)CSc3ccc(C(=O)NC4CCCCC4)cc32)c1 3638726 JXNBVRMZXUONCH-UHFFFAOYSA-N 408.567 5.005 0 1 HKAF COc1ccc(N2C(=O)[C@@H](CCCc3ccccc3)[C@H]2c2cccc(OC)c2)cc1 3787254 SNFHUYKHZAAHSU-LOSJGSFVSA-N 401.506 5.431 0 1 HKAF CCO[C@@H](Cc1ccc(OCCC2c3ccccc3-c3ccccc32)cc1)C(=O)O 12358185 RJPILEUQKHRVTM-VWLOTQADSA-N 402.490 5.300 0 1 HKAF CC(=O)Oc1cc2c(cc1C(C)(F)F)[C@H]1CC[C@]3(C)[C@@H](OC(C)=O)CC[C@H]3[C@@H]1CC2 13584013 MAXZHCAEPFYXOV-JIAAILLZSA-N 420.496 5.511 0 1 HKAF O=C(O)CCCCCCCSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 13727563 AZSRANFUXDYEFF-UHFFFAOYSA-N 407.539 5.723 0 1 HKAF Oc1ccc(-c2ccc(-c3c(Cc4ccc(O)cc4O)sc4ccccc34)cc2)cc1 13806743 NXNAJRPGPSWPIM-UHFFFAOYSA-N 424.521 6.943 0 1 HKAF C=C1C(=O)O[C@H](CCCCCCCCCCCCCCCOC(C)=O)[C@@H]1C(=O)O 14611737 LQMFUZJZXHFRKV-NHCUHLMSSA-N 410.551 5.193 0 1 HKAF biogenic Clc1ccc(CCNC2(c3cc4ccccc4s3)CCCCC2)cc1Cl 27329435 OLHQDWZRRMDGQZ-UHFFFAOYSA-N 404.406 7.200 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C 28646884 NAJCQAAOHKVCES-ZZOQNIIDSA-N 424.713 8.377 0 1 HKAF CC(C)CNC(=S)N[C@H]1CCCN2c3cc(Cl)ccc3Oc3ccccc3[C@H]12 29037462 CCHXLIAEZCTVBK-LAUBAEHRSA-N 415.990 5.276 0 1 HKAF Oc1ccc2c(c1)CCc1ccc(cc1)Oc1cccc(c1)CCc1ccc-2c(O)c1 29124248 ZCEPVFMKRVLFDX-UHFFFAOYSA-N 408.497 6.441 0 1 HKAF in-vivo CCCCN(Cc1ccc(O)cc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 34809201 PZIHTPUCJUDWOV-UHFFFAOYSA-N 421.381 5.511 0 1 HKAF COc1ccc([C@](c2ccccc2)(c2ccc(CN3CCCC3)cc2)n2ccnc2)cc1 35246384 GINRUBVJPLXTNH-NDEPHWFRSA-N 423.560 5.328 0 1 HKAF O=C(Nc1ccc(Oc2ccnc3ccsc23)cc1)N[C@H]1C[C@H]1c1ccccc1 35932586 LQBCMMHTJOFOGM-ICSRJNTNSA-N 401.491 5.766 0 1 HKAF CCCOC(=O)c1nnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 40935734 ZJHQAQCOXXBING-UHFFFAOYSA-N 410.688 5.461 0 1 HKAF Cn1c(-c2ccc(Oc3ccccc3)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1 40952909 NOBNEGOCMCJSIK-UHFFFAOYSA-N 415.924 6.398 0 1 HKAF O=c1[nH]c2cccc(Oc3cccc(Cc4cccc(OC(F)(F)F)c4)c3)c2[nH]1 45387430 BYSASSLHMUBEAA-UHFFFAOYSA-N 400.356 5.138 0 1 HKAF COc1ccccc1-n1c(Nc2nc(-c3ccc(Cl)cc3)cs2)n[nH]c1=S 49112263 YWISTKCGVTXITF-UHFFFAOYSA-N 415.931 5.459 0 1 HKAF CC(C)=CCC[C@]1(C)C=Cc2c(cc3c(c2O)C(=O)[C@@H](c2ccc(O)cc2O)CO3)O1 59729249 CSZKAJDXUNNJKV-IQGLISFBSA-N 422.477 5.073 0 1 HKAF biogenic Clc1cccc2c(-c3nsc(CN4CCCC4)n3)cn(CC3CCCCC3)c12 66078170 DTXDJDQSFFMTPD-UHFFFAOYSA-N 415.006 5.989 0 1 HKAF O=C(O)c1c(-c2ccccc2F)c2cc(Cl)ccc2n1Cc1cc(F)ccc1F 72179317 VDVBSNJXJILGQQ-UHFFFAOYSA-N 415.798 6.126 0 1 HKAF Cc1ccc(CNc2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccco3)n2)o1 82142867 RVSSSVWHAJOZQS-UHFFFAOYSA-N 410.518 5.004 0 1 HKAF O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2)N1Cc1ccncc1 84636018 WPOVVFJNBNMDPC-UDWIEESQSA-N 408.288 5.219 0 1 HKAF O[C@H](CSc1ccc2ccccc2c1)Cn1c(-c2ccccc2)cc2ccccc21 84688922 QTYANEFQZLWTSR-DEOSSOPVSA-N 409.554 6.615 0 1 HKAF C/C(=C(/OCCCCOc1ccc(Cl)cc1)c1ccc(F)cc1F)n1cncn1 84739261 FKFAXRMQHVPLJB-QNGOZBTKSA-N 419.859 5.431 0 1 HKAF C[C@@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2ccc(Cl)cc2Cl)nn1 84759244 KQYDNNNIWBPIAV-ZDUSSCGKSA-N 424.356 7.229 0 1 HKAF O=C(O)c1ccc([C@@H](c2ccc(Nc3nc4ccccc4o3)cc2)n2ccnc2)cc1 87612858 MPCTUARKBAIYDX-QFIPXVFZSA-N 410.433 5.104 0 1 HKAF CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(Cl)cc2)C2=C(O)CC(C)(C)CC2=N1 104700552 BLEMKZCVEDHSPN-OAQYLSRUSA-N 412.961 5.797 0 1 HKAF O=C(O)COc1cc2c(c(Cl)c1Cl)C(=O)[C@@](c1ccccc1)(C1CCCC1)C2 138763669 NPTDHYOKDFDEJI-QFIPXVFZSA-N 419.304 5.324 0 1 HKAF CC(C)C(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 153072503 DMESHFYQZLXLBT-COIRZXSFSA-N 400.647 6.856 0 1 HKAF CC(C)c1ccc(C(=O)C[C@@H](C(=O)NC2CCCCC2)n2ccnc2)c(C(C)C)c1 169333832 BQTOVSHIMVRGPL-QHCPKHFHSA-N 409.574 5.393 0 1 HKAF Nc1nc2ccc(C(F)(F)F)cc2n1C[C@@H](O)c1ccc(C(F)(F)F)cc1Cl 169351102 KAHGRTFKEJELQL-CQSZACIVSA-N 423.744 5.043 0 1 HKAF COc1ccc2c(c1)N[C@H](c1c(F)cccc1Cl)[C@H]1C(=O)CC(C)(C)CC1=N2 169722088 MUTFGIGDWWSLNP-NHCUHLMSSA-N 400.881 5.732 0 1 HKAF Clc1cnc2[nH]c([C@H]3CCCNC3)cc2c1-c1ccnc(NCc2ccccc2)c1 226047877 JGGDNGJUYIVCRF-SFHVURJKSA-N 417.944 5.357 0 1 HKAF C[C@H](NC(=O)c1ccccc1)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253852878 NOVUBZJSKIJHDS-ZWLWFWPDSA-N 421.625 5.745 0 1 HKAF CC(C)[C@@H](C)/C=C\[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 255259795 PRKPDIRLXGMLSU-ZRAVQBEOSA-N 400.691 7.491 0 1 HKAF C[C@H]1C[C@@H]1c1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)n(Cc2ccccc2)n1 299828642 SDGQPBBLLYNKGX-KSSFIOAISA-N 414.431 5.718 0 1 HKAF O=C(O)Cc1c[nH]c2ccc(OCCCOc3cccc(Oc4ccccc4)c3)cc12 473085963 ZLTAXLJFPCCJNR-UHFFFAOYSA-N 417.461 5.435 0 1 HKAF CCCCCOc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 473136209 ZHQLARXYURPMMU-IBGZPJMESA-N 411.542 5.034 0 1 HKAF O=C1c2ccccc2-c2cc(-c3c(F)c(F)c(F)c(F)c3F)nc3ccc(O)c1c23 586987106 SLGBXEKUSVSIRM-UHFFFAOYSA-N 413.301 5.514 0 1 HKAF FC(F)(F)c1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cn1 587001566 NTAKDQCMRRXUIS-UHFFFAOYSA-N 422.204 5.471 0 1 HKAF CCCCOc1cc2nc(-c3csc4ccc(O)cc34)[nH]c2cc1Br 587033522 WMWQXOBYAFMBKX-UHFFFAOYSA-N 417.328 6.092 0 1 HKAF N[C@@H](Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccccc1Cl 587058795 ZJGIXAMJAHBXJF-NSHDSACASA-N 418.644 5.240 0 1 HKAF OCc1ccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2c1 587081982 BFZZJXCLSDRVMR-UHFFFAOYSA-N 401.853 5.296 0 1 HKAF Oc1ccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2c1 587112883 VRRNTBUUILQAJB-UHFFFAOYSA-N 422.328 6.640 0 1 HKAF Cc1ccc(/C=C\c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1F 587146516 ONPVZVJGUAHZOK-SREVYHEPSA-N 417.322 6.368 0 1 HKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cc1 587158989 UOXDOBIUGARBHC-UHFFFAOYSA-N 418.777 6.521 0 1 HKAF CC(C)(C1CCC(=O)CC1)[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587206307 CJOQPOXVIFSXIU-GOSISDBHSA-N 423.556 6.337 0 1 HKAF C[C@]1([C@@H]2C[C@H]2c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331355 PJQFBRIIGAAJIV-IWVMGURDSA-N 422.883 6.106 0 1 HKAF Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2ccccc12 587350825 HDGUDPJXTQBFLF-RDGATRHJSA-N 402.421 5.860 0 1 HKAF CC[C@@]1(c2ccc(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352914 POGWSFSIZNTJNB-ZCYQVOJMSA-N 422.452 5.213 0 1 HKAF COc1cccc(-c2cc(-c3cc4c(cc3O)OCO4)nc3c2oc2ccccc23)c1 587366526 SLGYQEMKTGBWHS-UHFFFAOYSA-N 411.413 5.758 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(Cl)sc2C3)c1 587367114 STDSNOXZURWPCT-UHFFFAOYSA-N 403.890 6.943 0 1 HKAF CCOC(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1F 587385730 PMGYKAJEMCPBOA-HSZRJFAPSA-N 419.452 5.267 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccccc1)(C1(Br)CCCC1)[C@@H](C2)C3=O 587412621 JIABBRFQSOEUPM-JTSKRJEESA-N 413.311 5.046 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc4cc(O)ccc4c1)[C@@H](C2)C3=O 587452982 WKBFUJVATCDUOQ-HOFKKMOUSA-N 408.453 5.245 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(F)c(C)c1)(c1ccccc1Cl)CC2=O 587465414 DKJKSVDYVPUQAQ-RUZDIDTESA-N 424.899 6.355 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1cccc(F)c1)(c1ccc(OC)cc1)CC2=O 587465746 GLXBQIXZOAHCIP-AREMUKBSSA-N 420.480 5.596 0 1 HKAF COC(=O)c1cccc(-c2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2)c1 587514081 GIMLVOKJEMKUAZ-DEOSSOPVSA-N 413.473 5.121 0 1 HKAF Cc1ccccc1Nc1nc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587534118 AVWQFFRMOMFDEN-IBGZPJMESA-N 424.953 6.434 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(C(F)(F)F)ccnc1Cl 587550318 UQVADXMRZDCZCH-QAPCUYQASA-N 421.758 5.162 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(-c3ccc(Cl)cc3Cl)c2c1 587640946 HIZFZBACLPDIOS-AWEZNQCLSA-N 412.335 8.461 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)cc2)N1 587715688 RVVKVXILHMYHML-QGHHPUGFSA-N 402.229 5.405 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(C)(C)C)(c2ccc(F)cc2)N1 587735551 XQSMYIZCSFQPLY-ASSNKEHSSA-N 408.330 5.941 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2N2CCCCCC2)N1 587764344 DPZUXNMPTPGKKC-LPTQZCDUSA-N 409.387 5.136 0 1 HKAF CC(C)CCOc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587788979 APDLJNRUIVOJMO-SPLOXXLWSA-N 406.339 5.637 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2C(Cc2ccccc2)(Cc2ccccc2)N1 587814555 UIYXXENPPOPTDK-QGZVFWFLSA-N 424.357 5.803 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(/C=C\c3ccccc3)cc2)N1 587818581 ITVHFVOWJPDXIH-VLWKQQGVSA-N 422.341 6.382 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3cccc(C(=O)O)c23)N1 587827730 QESLEMUYELLNSK-YBTHPKLGSA-N 414.274 5.063 0 1 HKAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587935165 QHZBFBLYQPBFBN-UHFFFAOYSA-N 409.358 5.193 0 1 HKAF O=C(O)CCCCC[C@@]1(C2CCC2)NC2(CC2)Cc2ccc(Br)cc21 961614878 MZFJNFWISHRMFX-NRFANRHFSA-N 406.364 5.158 0 1 HKAF CC(C)[C@@]1(c2ccccc2Cl)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962640798 RGYVQPVJFGXXFG-HOFKKMOUSA-N 416.996 5.987 0 1 HKAF O=C(Cn1cccc1[C@@H]1c2ccsc2CCN1Cc1ccco1)c1ccccc1 962706678 KSLGJCYSVRVIQU-DEOSSOPVSA-N 402.519 5.173 0 1 HKAF CC(C)C[C@]1(c2cccc(Br)c2)c2c(F)cccc2C[C@@H]2CCCN21 963092698 AFKXJMBVBQYXOG-UGKGYDQZSA-N 402.351 5.898 0 1 HKAF CC[C@]1(c2ccc(Cl)c(Br)c2)c2c(F)cccc2C[C@@H]2CCCN21 963106301 KCGAMPNBJVWVKD-YWZLYKJASA-N 408.742 5.916 0 1 HKAF Cc1ccc([C@@]2(C(C)(C)C)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1 963832075 KPSGOJWFHJJTBP-GDLZYMKVSA-N 424.588 6.491 0 1 HKAF Fc1ccc2nc(-c3cccc(-c4cnc(-c5c[nH]c6cc(F)ccc56)[nH]4)c3)[nH]c2c1 1772582470 OJIWNXRQHDHGKU-UHFFFAOYSA-N 411.415 6.047 0 1 HKAF CC(C)c1ccc([C@@H]2[C@H]3CCCC3=NN2S(=O)(=O)c2ccc(Cl)cc2)cc1 1857547435 AZIGSXQBNFGDHO-PZJWPPBQSA-N 402.947 5.365 0 1 HKAF COC1=C(C)C(=O)OC1=C[C@@H](C)CCCC(C)=CCCC(C)=CCCc1ccoc1 2356443855 BIHGKHBYUFVWCB-NRFANRHFSA-N 412.570 7.053 0 1 HKAF CC(C)=CCCC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)ccc1O 2356632806 HJFORXVEHXONPU-UHFFFAOYSA-N 406.478 5.812 0 1 HKAF CC(C)=CC[C@@H]1C(C)=CC[C@H](c2ccc(O)cc2)[C@@H]1C(=O)c1c(O)cc(O)cc1O 2356693628 LTYUEHHTNMCSPR-TXTKFYIRSA-N 408.494 5.414 0 1 HKAF CC=C(C)[C@@H](O)[C@H](C)C=C(C)C=CCC(C)=CCc1nc(OC)c(OC)c(O)c1C 2356716083 BBLGCDSLCDDALX-DENIHFKCSA-N 415.574 5.457 0 1 HKAF CC=C(C)[C@H](O)[C@@H](C)C=C(C)C=CCC(C)=CCc1nc(OC)c(OC)c(O)c1C 2356716085 BBLGCDSLCDDALX-UGKGYDQZSA-N 415.574 5.457 0 1 HKAF CC[C@@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C=C[C@]12C)C(C)C 2356745760 VRLUYJWAEHZDHW-VPUBHVLGSA-N 412.702 7.801 0 1 HKAF CCCCCC[C@H]1C[C@H]1CCCCCCCCCCCCCCCCCCC(=O)O 2356801560 RPNFNNATVBCDMF-RRPNLBNLSA-N 422.738 9.699 0 1 HKAF COc1cc(OC)c2c(-c3cccc(-c4ccc(N(C)C)cc4)c3)cc(=O)oc2c1 13813908 OCJCDMHEKJJFGF-UHFFFAOYSA-N 401.462 5.210 0 3 HKAF aggregator CCc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccsc2)cc1 773761 MRVOVVMMQNBINS-UHFFFAOYSA-N 420.509 5.744 0 1 HKAF Cc1c(N2CCc3c(-c4ccccc4F)cccc32)nc2ccc(F)cc2c1C(=O)O 1890887 VIPZZIFZCPGBGA-UHFFFAOYSA-N 416.427 5.881 0 1 HKAF COc1cc(OC)c2c(c1)[C@H](CCCCCCCCCCCC[C@@H](C)O)OC2=O 3825937 URHQQJQMONPELH-NQIIRXRSSA-N 406.563 5.977 0 1 HKAF biogenic O=C(O)C1=C(c2ccc(Cl)cc2)c2ccccc2O[C@@H]1c1ccc2c(c1)OCO2 13473357 OFDRFALECLRCCQ-JOCHJYFZSA-N 406.821 5.089 0 1 HKAF CCc1nc2cc(O)ccc2c(Oc2ccc(/C=C/C(N)=O)cc2)c1-c1ccccc1 13641226 IKIYPHVVFQMLSC-XNTDXEJSSA-N 410.473 5.461 0 1 HKAF CN(C)c1ccccc1CCN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 13799774 IFXQPNLRICTKMO-HSZRJFAPSA-N 420.984 5.344 0 1 HKAF CC(C)=CCC[C@]1(C)C=Cc2c(O)ccc([C@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O1 14690568 BVVVHQJFODXUQX-PXDATVDWSA-N 422.477 5.421 0 1 HKAF biogenic CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@H](c1ccc(O)cc1O)CC2=O 15205891 WUVGXZKCQBMDDK-FQEVSTJZSA-N 422.477 5.203 0 1 HKAF biogenic CC(C)=CCC/C(C)=C/CC/C(C)=C\CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22851788 DVJCPEWCHQLAEH-CFZNNVJVSA-N 424.629 5.952 0 1 HKAF in-vitro Cc1ccc(SC2=C3CC[C@@H]4[C@H](CC[C@]5(C)C(=O)CC[C@H]45)[C@@]3(C)CCC2=O)cc1 27656004 JLEXTQOAGDZHGF-SIBACELJSA-N 408.607 6.516 0 1 HKAF C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 31541083 DKISDYAXCJJSLZ-JLFYLNMHSA-N 404.679 6.441 0 1 HKAF CCOC(=O)[C@H](Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C1CCCCC1 34778503 OLUCEZQVROQMQK-JOCHJYFZSA-N 400.902 5.462 0 1 HKAF CN(CCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1cccc(Cl)c1 40943219 VWJYZNZSHBGZIX-UHFFFAOYSA-N 406.932 6.488 0 1 HKAF O=C(O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4o3)c(F)c2)C1 43153514 SQBGXZIKFRKWJQ-UHFFFAOYSA-N 415.464 5.346 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4ccc(CNCc5cccc(N)c5)cc4)cc3)nc12 45190739 CDURRCOJFDAVGH-UHFFFAOYSA-N 418.544 6.077 0 1 HKAF CC(=C=CC=C=C(C)CC/C=C(\C)CCC=C(C)C)CC/C=C(\C)CCC=C(C)C 58632202 PALVLARMLPXARO-HCTXVGCHSA-N 406.698 10.135 0 1 HKAF in-vitro O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CC[C@H]2C[C@@H]1c1cc(Cl)ccc12 61942392 MCLPPSVHCAKTNJ-DYZYQPBXSA-N 402.730 5.270 0 1 HKAF C/C=C(\C)[C@@H](O)[C@@H](C)/C=C(C)/C=C/C[C@@H](C)/C=C/c1oc(OC)c(CC)c(=O)c1C 72114762 RZWLIPXWCCRKLN-GHETVGNYSA-N 414.586 6.024 0 1 HKAF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccccc2F)C1 82151943 SDAFHWBAKIYPNW-IAGOWNOFSA-N 410.537 5.145 0 1 HKAF Cc1nc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccccc2)sc1C 82162696 QNDNJXNFCNPABQ-UHFFFAOYSA-N 406.942 6.149 0 1 HKAF CC(C)Cc1ccc([C@@H](C)c2nc3cc(O)ccc3n2Cc2ccccc2Cl)cc1 84714174 TZVVOZFYRZMHAC-GOSISDBHSA-N 418.968 6.794 0 1 HKAF C[C@@H](C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccc(Cl)c1Cl 95605527 UNABWOXPZHNXFV-GFCCVEGCSA-N 412.276 5.939 0 1 HKAF COc1cnc2[nH]cc(Cc3ccc(NCc4ccc(C(F)(F)F)cc4)nc3)c2c1 95921312 WLYQGNIWNGFGPH-UHFFFAOYSA-N 412.415 5.188 0 1 HKAF in-vitro CC1=NC(C)=C(C(=O)O)[C@@H](c2cccc(C)c2)/C1=C(\O)OC/C=C/c1ccccc1 100061659 PCEJWTDHGBEYCE-JQKHZRFWSA-N 403.478 5.411 0 1 HKAF COC(=O)c1cc2c([nH]c3ccccc32)c(-c2c(C)nn(-c3ccccc3)c2Cl)n1 103173295 RSJBBYJNCNCAQJ-UHFFFAOYSA-N 416.868 5.317 0 1 HKAF C(=C1/CCC[C@H]2C1=NN(CCCN1CCCCC1)[C@@H]2c1ccccc1)\c1ccccc1 169328500 OPGBFZHYHPIEJO-PRUYOPEGSA-N 413.609 6.159 0 1 HKAF CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@@]12C)C(C)C 299813288 HCXVJBMSMIARIN-DPZZPPOESA-N 412.702 7.801 0 1 HKAF O=C(Cn1c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccco1)Nc1ccccn1 299832158 SDOCYJFDGQIGBQ-UHFFFAOYSA-N 419.484 6.116 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4c(C(F)(F)F)cc(C(F)(F)F)cc4[nH]3)cc2)o1 586903779 VFOKYTVJALNXGX-UHFFFAOYSA-N 410.317 6.836 0 1 HKAF Cc1ccc2c3c(cc(-c4nc5ccc(Cl)cc5n4C)nc13)-c1ccccc1C2=O 586992400 FLGKUTBDNQJZPF-UHFFFAOYSA-N 409.876 5.962 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC[C@H](c1ccc(Cl)cc1)C4)-c1ccccc1C2=O 586993745 QSRTZEVVDICSEN-KRWDZBQOSA-N 409.916 6.681 0 1 HKAF Cc1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Cl 587000384 MYMQLPWOCXLWST-IHWYPQMZSA-N 405.679 5.229 0 1 HKAF Cc1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cc1Cl 587000533 HPOUPWWVKPVFCN-UHFFFAOYSA-N 401.691 6.019 0 1 HKAF FC(F)(F)Oc1cccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587012431 JHELRADZLPKZAT-UHFFFAOYSA-N 404.211 5.225 0 1 HKAF Fc1cc(Br)cc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587013323 URGCXKCTCBFSHG-UHFFFAOYSA-N 417.101 5.228 0 1 HKAF COc1cc(/C=C/c2nc3cc(F)c(F)c(F)c3[nH]2)cc(Cl)c1OCC(C)C 587046903 OYYXTUUIZNVCQU-SNAWJCMRSA-N 410.823 5.847 0 1 HKAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(C)cc(C)c3[nH]2)c1 587049138 OZQWKFAEZHCKPL-UHFFFAOYSA-N 412.921 5.143 0 1 HKAF COC(=O)c1ccnc2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc12 587050800 MMVVSOJFERLTBW-UHFFFAOYSA-N 413.864 5.885 0 1 HKAF Cc1onc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)c1COc1ccccc1Cl 587062888 CDMFJZHXXJOBJF-UHFFFAOYSA-N 409.660 5.461 0 1 HKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 587070367 SHWNUAGNQYZJHZ-MRXNPFEDSA-N 404.897 6.172 0 1 HKAF Clc1ccc(CN2CCC[C@H]2c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 587077445 TYSCNYGUINPNFZ-DEOSSOPVSA-N 417.940 6.132 0 1 HKAF CCCOc1cc2[nH]c(-c3nn([C@@H](C)CC)cc3Cl)nc2cc1Br 587079599 JIJMWUMDORRDNA-JTQLQIEISA-N 411.731 5.602 0 1 HKAF CC(=O)c1cc(C(C)=O)cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 587099708 SVBOIQWUZJKDAH-UHFFFAOYSA-N 405.453 5.827 0 1 HKAF O=C1Cc2nc3cccc4c3c(c2[C@@H](c2ccc(Cl)cc2)C1)-c1ccccc1C4=O 587103538 JBKVGFMGXWJSQQ-HXUWFJFHSA-N 409.872 5.747 0 1 HKAF Cc1c(F)ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 587119998 MZZQMOPKQNXLKG-UHFFFAOYSA-N 411.362 5.406 0 1 HKAF CC(C)(C)Oc1cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c(N)cc1F 587136668 VABVTGZOJWGOOO-UHFFFAOYSA-N 414.225 5.169 0 1 HKAF COc1ccc([C@H](C)c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 587362190 GGUALCCIUCIESP-KRWDZBQOSA-N 409.485 6.817 0 1 HKAF CCOc1c(Cl)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br 587375070 BWEAIBSHFBKUSV-MRXNPFEDSA-N 410.695 5.098 0 1 HKAF C[C@@]1(c2ccc3ncsc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587376607 XQGBOZLPAMMGCO-GGAORHGYSA-N 405.450 5.415 0 1 HKAF CCc1cc2c(n1Cc1ccccc1)CCC[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430002 FHIKEQVDKHHMPL-AMGIVPHBSA-N 413.517 5.087 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3cc(Br)ccc13)CC2=O 587460574 UPDHZXXTDMVTQW-LJQANCHMSA-N 400.272 5.295 0 1 HKAF CCCc1c(O)ccc2c1OC(c1ccc(C)cc1C)(c1ccc(C)cc1C)CC2=O 587487747 HFLGPHAMXPZKMC-UHFFFAOYSA-N 414.545 6.487 0 1 HKAF Cc1cc(Br)c2[nH]cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587499043 QMTVULKWNYZWSS-HXUWFJFHSA-N 410.311 5.824 0 1 HKAF COC(=O)c1ccc(-c2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 587526964 TUYRSICUBVJHBR-VWLOTQADSA-N 412.485 5.726 0 1 HKAF COc1ccc(OC)c(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)(F)F)c1 587628522 NCDDCFAVJPNKCL-UHFFFAOYSA-N 401.743 5.390 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(-c3ccccc3Br)c2c1 587639335 RXGTWSUVAURXQD-INIZCTEOSA-N 404.351 7.778 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Br 587681048 WAPUOMCQSHACJU-DYZYQPBXSA-N 413.128 5.283 0 1 HKAF CCc1ccccc1-n1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587757082 UTNMGMZGODAIKY-PEBXRYMYSA-N 413.334 5.565 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sccc2Oc2ccccc2)N1 587846077 SZGAQOVCUNIOEP-BLVKFPJESA-N 418.331 6.066 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)N[C@@H](C)CCCC(C)C 587864014 VXPFUUWDELCDNO-AWEZNQCLSA-N 413.509 5.515 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C)nc2c(C)ccc(C)c12 587868509 NOJCPGXJMCZFJC-UHFFFAOYSA-N 412.415 5.435 0 1 HKAF COc1ccc(C[C@H](C)c2nc3cc(Br)cc(Cl)c3[nH]2)cc1OC 587925656 FYBVYKJHBUVXGK-JTQLQIEISA-N 409.711 5.342 0 1 HKAF CC(C)Oc1cc(-n2c(OC(C)(C)C)cc(C(C)C)c2O)c(Cl)cc1Cl 587942990 GRINCJAYBIFIST-UHFFFAOYSA-N 400.346 6.578 0 1 HKAF CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 587945584 NPDSLVHMBIFCDW-UHFFFAOYSA-N 417.484 5.547 0 1 HKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587952375 PQWHYPFYZLPMPL-NVBFEUDRSA-N 408.386 6.647 0 1 HKAF CCOP(=O)(OCC)c1ccc([C@@H]2NCCc3cccc(-c4ccccc4)c32)o1 962659132 FQQZUGBREQLOFR-QHCPKHFHSA-N 411.438 5.073 0 1 HKAF Brc1ccc([C@]2(C3CC3)c3ccsc3CCN2Cc2ccco2)cc1 962712686 NYGFAYMPEFPCOM-OAQYLSRUSA-N 414.368 5.816 0 1 HKAF O=C(O)c1cc(-c2ccc([C@H]3c4c(F)cccc4C[C@@H]4CCCN43)o2)ccc1Cl 963098427 GRMYZTIVAYFUNX-NYHFZMIOSA-N 411.860 5.547 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]2(c1ccc(C2OCCO2)cc1)C1CCCCC1 963113610 UYJOIJPNKYBITK-RPLLCQBOSA-N 421.556 5.716 0 1 HKAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](C2=C(Sc3ccccc3)CCCC2)N1 963228704 IHQMRCYYWNZDOP-VWNXMTODSA-N 416.546 5.495 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@]2(c1ccccc1)C12CC3CC(CC(C3)C1)C2 963270624 QHINVDXIQLBWGD-ZMCQLTRBSA-N 407.985 5.954 0 1 HKAF COc1ccc2[nH]c(Cl)c([C@]3(C)c4cccc(Br)c4CCN3C)c2c1 963279647 IEWADZGZJUEJEX-FQEVSTJZSA-N 419.750 5.344 0 1 HKAF Cc1occc1-c1ncc(O[C@H](CN)c2ccccc2)cc1-c1c[nH]c2ncccc12 1772619044 BQVCAGIVQCLJJK-HSZRJFAPSA-N 410.477 5.272 0 1 HKAF COC1=CC(c2cc3ccccc3s2)=NC1=CC=C1N(C)c2ccccc2C1(C)C 1857561141 KBZBEFMHJIXJFN-UHFFFAOYSA-N 412.558 6.430 0 1 HKAF Cc1cc(C)c(CO[C@H](c2cccs2)c2cc3ccccc3nc2Cl)c(C)c1 1857609068 DBISOFRTWFHLCR-QHCPKHFHSA-N 407.966 7.181 0 1 HKAF CCOP(=O)(OCC)[C@@H](Nc1ccc(C)cc1)c1cc2cc(C)ccc2nc1O 1857772451 UEZXYIYZIHCGOE-JOCHJYFZSA-N 414.442 5.934 0 1 HKAF FC(F)(F)c1ccc(-c2csc(N3COc4ccc5ccccc5c4C3)n2)cc1 1857773550 GMQJQNNCTRNIGT-UHFFFAOYSA-N 412.436 6.339 0 1 HKAF CCC[C@H](C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356424972 AZGBFPDCIYGQGD-JHXIUNCFSA-N 414.718 8.025 0 1 HKAF COc1cc(O)c2c(c1CC=C(C)CCC=C(C)C)O[C@H](c1ccccc1)CC2=O 2356522504 JNZJOLYHTZUUIO-QHCPKHFHSA-N 406.522 6.343 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356616375 UVNXFLZMQCAWCP-VHTHQRKJSA-N 414.718 8.025 0 1 HKAF CCCCC[C@H](O)C=C[C@H]1CCC(=O)[C@H]1CCCCCCC(=O)NCc1ccco1 2356732765 VPMDEJHHEPSXQO-FUDKSRODSA-N 417.590 5.329 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CCC1=C(C)CC[C@H]2C(C)(C)CCC[C@@]12C 2356863666 VHLXLMQWVJKPNC-LVXARBLLSA-N 423.649 5.942 0 1 HKAF COc1ccc(C2=Nc3cc(C(C)C)ccc3NC(c3ccncc3)=N2)cc1OC 6743753 GNACHPGMWNJZQX-UHFFFAOYSA-N 400.482 5.173 0 1 HKAF C[S@](=O)c1cccc(CSc2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)c1 13491670 ASWWEASHSSNEMM-GDLZYMKVSA-N 423.538 5.308 0 1 HKAF CC(C)=CCn1c2c(ccc1=O)[C@H](NCCc1ccc(Cl)c(Cl)c1)CCC2 13743293 FSEPICGAYWCPQD-HXUWFJFHSA-N 405.369 5.331 0 1 HKAF Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)c12 14975382 TVECXYJHKWEHKM-UHFFFAOYSA-N 412.371 5.740 0 1 HKAF CN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Br)cc32)CC1(C)C 22938033 NAYPPFWCBZMRQV-PZJWPPBQSA-N 417.366 5.191 0 1 HKAF CC(C)c1noc(-c2ncn3c2CN=C(c2ccccc2Cl)c2ccccc2-3)n1 26386562 SACNWHXTPXRWMJ-UHFFFAOYSA-N 403.873 5.050 0 1 HKAF CSc1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 26941833 RQVZWXFEIBZKOQ-UHFFFAOYSA-N 410.995 6.752 0 1 HKAF C[C@H](C(=O)OCCCc1ccccc1)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27556794 CTGIXAGBIQLQDR-VLCRHTCISA-N 422.590 6.061 0 1 HKAF COc1ccc(COc2ccccc2C2=C(c3cccc(C(=O)O)c3)CCC2)cc1 28819239 MPONGAQKNVUJOK-UHFFFAOYSA-N 400.474 6.067 0 1 HKAF Cc1ccc(NC(=O)c2cc3cc(O)ccc3s2)c(C(=O)Nc2ccc(F)cc2)c1 29483989 LGRZVBDXXFWYQH-UHFFFAOYSA-N 420.465 5.559 0 1 HKAF C[C@H](C(=O)OC/C=C/c1ccccc1)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 40499267 XWEWIPKKCFHQRD-PSSSMKGJSA-N 420.574 6.142 0 1 HKAF COc1cc(OC)c2c(c1)[C@@H](CCCCC[C@H]1CCC[C@]3(CC[C@@H](C)O3)O1)OC2=O 40748984 JCVYMDCKTLUBAJ-JJLPPOTMSA-N 418.530 5.330 0 1 HKAF O=C(Nc1ccc2ccccc2c1)c1cc(-c2ccncc2)nc2ccc(Cl)cc12 40860030 WSNARPJSSRUSTG-UHFFFAOYSA-N 409.876 6.356 0 1 HKAF Cc1nnsc1C(=O)Nc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)c1 45195001 LTXGOJYGMQCJDM-UHFFFAOYSA-N 411.490 5.309 0 1 HKAF O=C(O)Cc1sc(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1ccoc1 45338488 OYXBRNVHGDPPQX-UHFFFAOYSA-N 411.429 5.489 0 1 HKAF Clc1ccc(OCc2nnc(-c3sc4ccccc4c3Cl)o2)c(Cl)c1 49054633 XMIPZRZNSXGDSP-UHFFFAOYSA-N 411.697 6.491 0 1 HKAF CSc1ccc(Nc2nc3c(-c4cccc(F)c4)nc4ccccc4c3o2)cc1 49070537 RXTGSIMJDHENMW-UHFFFAOYSA-N 401.466 6.648 0 1 HKAF O[C@@H]1CN(CCCSc2ccccc2)CCc2cc(OCc3ccccc3)ccc21 64550081 CYABDBONZXVBIX-AREMUKBSSA-N 419.590 5.340 0 1 HKAF COc1cc(Nc2nccc(Nc3ccc4ccccc4c3)n2)cc(OC)c1OC 71330038 OQZLCEIUKFMPCK-UHFFFAOYSA-N 402.454 5.143 0 1 HKAF Cc1ccc([C@H](c2c[nH]c3ccc(Br)cc23)N(C)c2ccccc2)cc1 71332500 HNNKAUFLDRZOMC-HSZRJFAPSA-N 405.339 6.465 0 1 HKAF CCOc1ccc(Oc2c(Cl)c(C)nn(Cc3cccc4ccccc34)c2=O)cc1 73257663 HXKCVXVETKHWKF-UHFFFAOYSA-N 420.896 5.598 0 1 HKAF CCCCCn1c(CCc2ccccc2)nc2c(NCc3ccc(F)cc3)ncnc21 82185849 FWEXVEMTUBAETD-UHFFFAOYSA-N 417.532 5.553 0 1 HKAF CN1CCC[C@H]1CCn1c(-c2ccccc2)nc2c(NC3CCCCCC3)ncnc21 82189073 VSGQSWAUECKCDM-NRFANRHFSA-N 418.589 5.112 0 1 HKAF CCOC(=O)c1[nH]c(Br)c(-c2cccc3ccccc23)c1Br 96933261 BBMCWWVNRHKVKH-UHFFFAOYSA-N 423.104 5.537 0 1 HKAF Cc1sc(-c2cccnc2)nc1-c1ccc2c(c1)OC[C@H](c1c(F)cccc1F)N2 103256075 FFNRTDGVBRZAST-LJQANCHMSA-N 421.472 6.004 0 1 HKAF CC(C)(C)c1ccc(C(=O)OCc2cn(-c3ccnc4cc(Cl)ccc34)nn2)cc1 103270068 ADNAWBPTLIHZCW-UHFFFAOYSA-N 420.900 5.123 0 1 HKAF CCc1ccc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC(C)=C2C(=O)OC)cc1 103898598 JYOGBVNHEZXUGV-HYBUGGRVSA-N 401.506 5.624 0 1 HKAF CN(C)CCOc1ccc(-c2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1 136993170 XUGSVXDTDCXFMC-UHFFFAOYSA-N 405.519 5.587 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCC(=O)N1Cc1ccc(Oc2nc(C)cs2)cc1 167097996 RUQICYBKEJVNCY-SFHVURJKSA-N 424.522 5.125 0 1 HKAF CCCCC1([C@@H](O)/C=C/[C@@H]2CCC(=O)[C@@H]2CCCCCCCC(=O)OCC)CCC1 169315194 WEPFFVSSFVLUMV-CTRRWJMSSA-N 420.634 6.153 0 1 HKAF C[C@H](CCCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CNCC1 169344079 DZCSLDZTEWXCGV-QGZVFWFLSA-N 409.545 5.966 0 1 HKAF COc1ccc(CCO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1OC 299866728 WLGVXUXMTFTTDD-NRFANRHFSA-N 421.324 5.208 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3c(C)c(Br)cnc3[nH]2)c1 586878383 GKFGACLIHCMUAH-UHFFFAOYSA-N 420.310 5.544 0 1 HKAF CC[C@@]1(C)C[C@H]1c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 586890946 PXYJBCWHVZNPML-XOBRGWDASA-N 405.395 5.877 0 1 HKAF CSc1ccc2nc(-c3cccc(S(=O)(=O)N(C)c4ccc(C)cc4)c3)[nH]c2c1 586931470 UYTPEPIZLISLFZ-UHFFFAOYSA-N 423.563 5.085 0 1 HKAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(C(C)(C)C)cc2[nH]1 586936737 JZMDKIJKGXOEHC-LJQANCHMSA-N 419.978 5.189 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccc(Br)cc1C3 586986968 WJUPEXFNGPLSEV-UHFFFAOYSA-N 414.258 5.486 0 1 HKAF Cc1c(-c2cc(C(F)(F)F)ccc2F)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987098 SBGMSIHWIIXLOK-UHFFFAOYSA-N 423.365 6.285 0 1 HKAF COC(=O)c1cc(Br)c2[nH]c(C3(Cc4ccc(Cl)cc4)CC3)nc2c1 587074427 XPOYRUXJIVRZGP-UHFFFAOYSA-N 419.706 5.040 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1cc(-c3ccccc3)ccc1C4)-c1ccccc1C2=O 587100808 OWEKKWLEEIZKRM-UHFFFAOYSA-N 409.488 6.993 0 1 HKAF FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4cc(Cl)ccc4[nH]3)n2n1 587120338 YZEBUQATOHNNRA-UHFFFAOYSA-N 413.790 5.612 0 1 HKAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)cc2N1 587127120 RXCVKLWWWLFFFY-KBUNVGBDSA-N 423.748 5.406 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c(Cl)c2)cc1F 587145664 PVEYJQYGDNITFY-UHFFFAOYSA-N 420.793 6.896 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c(Cl)c2)cc1F 587147176 JUOLELIBEXEENK-UHFFFAOYSA-N 405.860 5.883 0 1 HKAF Oc1ccc(Nc2cccc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c2)cc1 587242492 MUSFFXNFMKYYCH-UHFFFAOYSA-N 407.473 6.258 0 1 HKAF COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl 587324885 ARFIGOMQGUFXQW-GGAORHGYSA-N 412.844 5.468 0 1 HKAF COCCCC[C@@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587382948 UQCXITIDTJJTOA-NRFANRHFSA-N 407.432 5.273 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cc(C)cc(C)c1 587401933 ZVOJAJAFZCLXDW-VWLOTQADSA-N 417.505 5.488 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cc(Cl)ccc1Cl)([C@H]1CCOC1)CC2=O 587461720 LXCDIQBOJLIQMI-XMHCIUCPSA-N 421.320 5.549 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3noc(-c4ccc(C)cc4)c3c1)CC2=O 587481723 HMCYVHVCYHOFLQ-XMMPIXPASA-N 413.473 6.168 0 1 HKAF COc1ccc(Br)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1F 587505238 LXURAHMJELEMRO-KRWDZBQOSA-N 405.263 5.182 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cc(Cl)ncc2c1 587554353 XBUSSOBRABUFHE-NZQKXSOJSA-N 403.821 5.297 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1cccs1 587572925 UGGMCBWMRXJILT-XUZZJYLKSA-N 418.445 5.498 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@@H]2Nc1ccccc1 587576073 FJSJJKLGZSYILV-WRALFONMSA-N 401.462 5.147 0 1 HKAF CCc1ccc(-c2n[nH]cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587589019 MPBRQWKSBKTJCI-OFVILXPXSA-N 412.445 5.048 0 1 HKAF CC(C)(C)c1cc(N)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587615167 WSUBETSZAFVXDA-JPYJTQIMSA-N 409.507 5.210 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)F)c(C(=O)c3cccs3)c2c1 587642340 RGESGBOQEZZEGM-SNVBAGLBSA-N 401.400 6.628 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)cc2C(F)(F)F)N1 587710392 FZKLIBBBULMBMV-XLFHBGCDSA-N 420.219 5.544 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2F)N1 587719770 QOHMRHIFAKHGMM-VPTHRUTESA-N 417.091 5.113 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3cccc(F)c3)no2)N1 587735614 YEIZYTSQEXETER-OVWNDWIMSA-N 405.242 5.006 0 1 HKAF CCc1ccccc1-n1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587752071 BLWLMCVJFZYTJA-JLCFBVMHSA-N 413.334 5.565 0 1 HKAF Cc1cccnc1[C@@H]1CCC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587774511 VYJYAOVDFOYQGY-IUSZMWJPSA-N 403.339 5.379 0 1 HKAF CC(C)Oc1cc2nc(COC/C=C/c3ccccc3)[nH]c2cc1Br 587780883 KYPZNKHGACWASD-RMKNXTFCSA-N 401.304 5.343 0 1 HKAF CCC[C@@H](CC1(c2nc3cccc(F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782757 XZVKTGUOFKVFSR-IBGZPJMESA-N 408.517 6.064 0 1 HKAF CCCOc1ccc(CC)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587798169 XTVZRKPUBYTVLU-ZSEKCTLFSA-N 406.339 5.563 0 1 HKAF COc1ccc(C2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 587809522 QXNOIXBDZLSGCX-SEQKXJMWSA-N 418.350 5.684 0 1 HKAF COc1ccc2c(C)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)oc2c1 587830012 SCMNYFFPENXODA-DGIBIBHMSA-N 404.279 5.275 0 1 HKAF Cc1cc(Br)sc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587843670 JMHWWNQBGPVBEJ-CLAHSXSESA-N 419.157 5.344 0 1 HKAF Cc1nc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cs1 587855738 VURSVWLXEBVSHI-LZVRBXCZSA-N 423.376 5.705 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 587870703 GURVZYINJLWLAQ-GFCCVEGCSA-N 423.271 5.502 0 1 HKAF COc1cccc(C2(c3nc4ccc(I)cc4[nH]3)CCCC2)c1 587932464 FNESKYGAFJJGLY-UHFFFAOYSA-N 418.278 5.036 0 1 HKAF Cc1c(Br)cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1C 587949223 CADBWOSYDLQJIE-SEYXRHQNSA-N 419.322 6.905 0 1 HKAF CCCOc1cc2nc([C@H](CC)O[C@H]3CCC[C@@H](C)C3)[nH]c2cc1Br 587951756 ZYABQSNRFCCFPR-GLJUWKHASA-N 409.368 6.161 0 1 HKAF O=C(O)CCCCCCCCCCCCc1nc2ccc(Br)cc2[nH]1 587956447 CICYEASMJVQXNY-UHFFFAOYSA-N 409.368 6.244 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ncc[nH]c-2n1 587958160 BESRDIPETVETNQ-RCHUDCCISA-N 404.602 7.159 0 1 HKAF COC(=O)c1cc(Br)c2[nH]c(/C=C/c3cccc4ccccc34)nc2c1 587969455 SWJFLDMXLUONQN-MDZDMXLPSA-N 407.267 5.436 0 1 HKAF Oc1nc2cc(Cl)ccc2n1C1CCN(CCCCc2nc3ccccc3o2)CC1 653903379 RILXDJGPJCVJME-UHFFFAOYSA-N 424.932 5.196 0 1 HKAF Cc1nn(C(C)C)cc1[C@@H]1c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961788130 QMMIVKJVEMXXNF-QFIPXVFZSA-N 410.562 5.013 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1c(F)cc(C(F)(F)F)cc1F 962402015 YLOXRTHVDWNFIJ-LJQANCHMSA-N 412.427 5.531 0 1 HKAF Cc1cc(C)cc(CC[C@]2(C3CC3)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962730212 MJISXFUICRYWNJ-JTHBVZDNSA-N 401.472 5.187 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)C(c2ccccc2Cl)(c2ccccc2Cl)N1 962945906 HKELKEXOOKEUEN-MRXNPFEDSA-N 421.371 6.691 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CC(=O)C(F)(F)F)c1ccc(Cl)s1 963258142 NXZUEPBODAGRIW-ORAYPTAESA-N 415.908 5.823 0 1 HKAF COc1ccc(-n2c(C)c(C)c([C@H]3N[C@@H](C)Cc4c(OC)ccc(OC)c43)c2C)cc1 963610411 PJSMZYZWWJFLRX-QWXGXRTQSA-N 420.553 5.052 0 1 HKAF COc1ccc(OC)c2c1C[C@H]1c3cc([C@H](C)c4ccccc4)sc3CCN1C2 1857757451 DCNMWUAKTCVIOB-IERDGZPVSA-N 405.563 5.573 0 1 HKAF Cc1oncc1S(=O)(=O)Nc1ccccc1-c1cccc2c1[nH]c1ccccc12 1857757796 WTWNWXBIZGRNHE-UHFFFAOYSA-N 403.463 5.085 0 1 HKAF CC1(C)CCC[C@]2(C)Oc3c(O)ccc(CCC(=O)c4ccc(O)cc4O)c3C[C@H]12 2356337444 VPGBLFFVUJEHRV-RDGATRHJSA-N 410.510 5.139 0 1 HKAF COC(=O)CCC(=O)OC[C@@]12C=C[C@@]3(CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3CC1)C2 2356524720 CDAYKMDGHCTLJK-XZPPUWBPSA-N 402.575 5.452 0 1 HKAF CC(C)CC[C@@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356528967 NYZFLRDFXVCLQW-ROPNBFSUSA-N 416.646 5.827 0 1 HKAF C[C@H](C1=NC[C@H](C)CC1)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356585195 HFOSABNORYNULM-QCJRPAINSA-N 415.662 5.484 0 1 HKAF COc1ccc([C@H]2C3=C(C)NN(c4ccccc4)C3=NC(=O)N2c2ccccc2)cc1 103919391 QDJBEKULYQYDHE-QHCPKHFHSA-N 410.477 5.074 0 3 HKAF c1ccc(Cn2c(-c3ccccc3)cc3cnc(Nc4ccc5c(c4)OCO5)cc32)cc1 206018542 BVCIURFCHAHUGS-UHFFFAOYSA-N 419.484 6.224 0 3 HKAF CCO[C@H](Cc1ccc(OCCC2c3ccccc3-c3ccccc32)cc1)C(=O)O 588575 RJPILEUQKHRVTM-RUZDIDTESA-N 402.490 5.300 0 1 HKAF CC[C@@H](C)/C=C/C=C/Cc1ccc(C(C)(C)c2ccc(C/C=C/C=C/[C@H](C)CC)[nH]2)[nH]1 13375040 AFEISJXZWHBJNX-CQIFOWGNSA-N 418.669 8.071 0 1 HKAF O=C(NCCCCNc1ccnc2cc(Cl)ccc12)c1cccc(C(F)(F)F)c1 35190643 BCNNEHIZYYHSMR-UHFFFAOYSA-N 421.850 5.529 0 1 HKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)C[C@H]2C1=CCN(Cc2cccnc2)CC1 45355765 WFNOFCSOWHFAOU-QHCPKHFHSA-N 420.597 5.997 0 1 HKAF CCCCCC1=NN(C(=O)NCC23CC4CC(CC(C4)C2)C3)C[C@@H]1c1ccccc1 58575347 HZURZTBRYXBYIM-OJNXCIKNSA-N 407.602 5.948 0 1 HKAF CC(C)(C)Nc1nc(N2CCCc3ccccc32)nc(N2CCCc3ccccc32)n1 58603035 UWWJFFNLDULWJN-UHFFFAOYSA-N 414.557 5.251 0 1 HKAF CCn1c2ccccc2c2cc(CN3CCC4(CC3)C[C@@H](O)c3ccccc34)ccc21 73222618 RGONDGBXSBUYKY-HHHXNRCGSA-N 410.561 5.785 0 1 HKAF CC(C)=CCC[C@@]1(C)C=Cc2ccc(O)c(C(=O)CCc3cc(C=O)ccc3O)c2O1 95591596 RYSXRCNNDIODTR-SANMLTNESA-N 420.505 5.637 0 1 HKAF CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C)o2)C2=C(O)CC(C)(C)CC2=N1 104002934 NMJYEIIFUDOCHK-QHCPKHFHSA-N 405.494 5.776 0 1 HKAF C[C@@H]1CC[C@]2(NC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 118936874 VCYNHQOAZQMPOJ-WZVZKQHUSA-N 413.646 5.575 0 1 HKAF endogenous,in-man Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc(F)c(F)c2)n1 205846508 REBMAXKVJHZZRY-CQSZACIVSA-N 405.452 5.304 0 1 HKAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]3CC[C@@H]2[C@@H](C)/C=C/C(C)C)C1 255264103 SAWMHXICEQYKKZ-AMOQMAFJSA-N 414.674 7.425 0 1 HKAF CCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Oc1cccc(C(F)(F)F)c1 473102079 LKEOHLUHUALQFR-UHFFFAOYSA-N 403.404 5.663 0 1 HKAF Cc1ccc(-n2nnc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2C)cc1 586988140 LYLHDFQBJDYOLX-UHFFFAOYSA-N 418.456 5.016 0 1 HKAF COc1cc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2cc1C 586999318 ZBHXSIPYXDQVLY-UHFFFAOYSA-N 423.310 5.888 0 1 HKAF Fc1cc2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc2cc1Br 587073951 OAAMEJXMUQFRDO-QGZVFWFLSA-N 408.702 5.455 0 1 HKAF OCCc1ccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2c1 587081997 BVMWZXBJJMPDFG-UHFFFAOYSA-N 415.880 5.339 0 1 HKAF Cc1nc2c(C)ccc3c2c(c1Cc1ccc(OCC(=O)O)cc1)-c1ccccc1C3=O 587097536 QIYGAJJATIDZLM-UHFFFAOYSA-N 423.468 5.117 0 1 HKAF COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(OC)c1OC 587098258 QBEHJYGTELOIFC-UHFFFAOYSA-N 411.457 5.447 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4cc(C)c(Br)cc4[nH]3)ccc2F)cc1 587139238 DHPNHAICCZJZTA-UHFFFAOYSA-N 423.285 6.310 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cnc(Nc4cccnc4)s3)nc3cccc1c23 587207602 HCEJYVAUZHFRKK-UHFFFAOYSA-N 406.470 5.708 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1sc(-c2cccnc2)nc1CC3 587208438 RTBCUVYRBHUJGB-UHFFFAOYSA-N 417.493 5.730 0 1 HKAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cn1 587244466 GGWXBQZASYSFDF-UHFFFAOYSA-N 400.482 5.189 0 1 HKAF C[C@]1(c2ccc(Br)o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323886 NJKLXQHIZSDOHG-UYAOXDASSA-N 417.230 5.161 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](CCc2ccccc2)(C(F)F)[C@H]1c1ccc(F)cc1 587326114 AJDTWNCMRVIDJB-XUZZJYLKSA-N 412.407 5.527 0 1 HKAF CCOC(=O)[C@@H]1CCc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C1 587363733 TZJFBANBRLEJGU-MRXNPFEDSA-N 401.462 5.325 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)[nH]c3ccc(Br)cc13)O2 587370250 CZPVSVJYAYZZFW-HNNXBMFYSA-N 405.679 5.181 0 1 HKAF C[C@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccsc2S1 587372133 HREXBOCUHLWYNN-SAWWVNKFSA-N 412.507 5.732 0 1 HKAF COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCc1ccccc1Cl 587377481 IUJYKHKONJOGBN-QFIPXVFZSA-N 423.896 5.525 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccc(Br)c(C)c1)O2 587378161 SDWWUBJGWOKMSR-FQEVSTJZSA-N 411.299 5.145 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCc3ccc(F)cc3Cl)c1)O2 587385013 KZGWNYSWQJWGRU-QFIPXVFZSA-N 411.860 5.655 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(F)cc3)c3ccccc3n1C)O2 587385817 VIBLRRAGIYCZFK-QFIPXVFZSA-N 400.453 5.582 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(Cl)ccc1O)CC2=O 587461003 IRCVUMXDKVEUMJ-DEOSSOPVSA-N 408.881 5.613 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc(C(F)(F)F)cc1)CC2=O 587464707 WJTXLVMDTPFOCU-NRFANRHFSA-N 415.411 5.861 0 1 HKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1cccc(Cl)c12 587500411 ORENHFLACAHGHJ-AREMUKBSSA-N 414.888 5.672 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1SC(F)(F)F 587553000 CUCICFFTBROBOV-YLJYHZDGSA-N 418.392 5.707 0 1 HKAF CC(C)COc1cc2nc(CCOCc3ccccc3)[nH]c2cc1Br 587565928 NCMXBMOUQUEQMA-UHFFFAOYSA-N 403.320 5.120 0 1 HKAF Fc1ccc(-c2c(-c3ccc(Cl)cc3Cl)[nH]c3cc(Cl)c(F)cc23)cc1 587630541 KPNGRTWAENJIKV-UHFFFAOYSA-N 408.662 7.740 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(-c3ccccc3Br)c2c1 587641007 IBXWNCMQWGIISL-HNNXBMFYSA-N 422.341 7.917 0 1 HKAF Cc1nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c2c(C)c(C)sc2n1 587663232 YFEDMCFSXREVQB-UHFFFAOYSA-N 416.481 5.122 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2F)N1 587718230 MVSWIKNMGBQEHO-PWJLMRLQSA-N 417.091 5.113 0 1 HKAF COc1ccc(Cl)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F 587721513 WOGDMISLMUONRJ-RBHXEPJQSA-N 402.666 5.013 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccs3)cc2F)N1 587725720 RTQSKKPBQLUPNM-GIPWTMENSA-N 420.322 6.079 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccn(-c3ccccc3F)c2)N1 587730065 WSHAGXPSIGLEEC-ODXCJYRJSA-N 403.270 5.142 0 1 HKAF Cc1cccc(-n2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1C 587754797 MTNXSENGYDFOIR-RCDICMHDSA-N 413.334 5.619 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccccn2)N1 587767330 AKJXEHJSMUFWGR-QRQCRPRQSA-N 411.318 5.004 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 587779707 DUYQGTMAYDTFSU-UHFFFAOYSA-N 416.830 6.968 0 1 HKAF CC[C@]1(c2ccc(OCC(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792809 LMIHHMRSXRHCTE-OYHNWAKOSA-N 420.366 5.811 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCOc3cc4c(cc32)CCC4)N1 587834801 MIEBGDWQMPQQCA-DMZKTXOQSA-N 416.334 5.027 0 1 HKAF Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)sc2ccccc12 587851403 BRIIXGUAZUNQIH-YBTHPKLGSA-N 404.348 5.909 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(-c3ccccc3)s2)N1 587854194 QJHUVHTZVUISEA-VOJFVSQTSA-N 403.320 5.335 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1ccc(OC(F)(F)F)cc1 587861332 RWDKRXRNLYVUGH-UHFFFAOYSA-N 416.321 5.524 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C)nc2c(C)cccc12 587865933 PUCLQGXFGDXOME-UHFFFAOYSA-N 411.427 6.122 0 1 HKAF Cc1ccccc1C(C)(C)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587954990 IAAVXMCYWRLYCC-UHFFFAOYSA-N 413.237 5.858 0 1 HKAF CC(C)=CCC/C(C)=C\c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587967072 GSHCJZZSBRCKDW-XFFZJAGNSA-N 403.242 6.374 0 1 HKAF CC/C(=C\c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccc(C)cc1 587967110 LDFLVQQXOFJSDN-ZRDIBKRKSA-N 409.249 6.603 0 1 HKAF CCN(c1ccccc1)c1ccc([C@H]2c3cc(OC)ccc3CCN2C(C)C)cc1 962086894 DQIHNQMJEPALTJ-MHZLTWQESA-N 400.566 6.209 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2coc3cc(Br)ccc3c2=O)N1 962947920 CTGRWQRTOVKBBO-LRTDBIEQSA-N 423.310 5.051 0 1 HKAF COc1ccc(-c2ccc([C@]3(C)NCCc4cnc5c(OC)cccc5c43)s2)cc1 963056124 LBMGHXWOEHFRNA-VWLOTQADSA-N 416.546 5.390 0 1 HKAF Cc1ccncc1[C@@]1(c2cc(F)c(F)c(F)c2)c2c(F)cccc2C[C@@H]2CCCN21 963106739 NAHJSYKODCQPSF-XDHUDOTRSA-N 412.430 5.259 0 1 HKAF CCOC(=O)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@]12c1cccc(Br)c1CCN2C 963289257 KTCSONFMRRUJMZ-LZFQIVBZSA-N 422.407 5.158 0 1 HKAF CCC[C@@H](C)N1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(C(C)C)cc2)CC1 1772613038 JGOTYFCURQUEFN-JOCHJYFZSA-N 421.629 6.497 0 1 HKAF Cc1ccc(Nc2cc(NC(=O)Nc3c(Cl)cccc3Cl)ncn2)cc1F 1857544673 RHWNNJUPXQARPF-UHFFFAOYSA-N 406.248 5.619 0 1 HKAF Cc1cc(C(=O)O)ccc1-n1cc(C(=O)c2c(Cl)cccc2Cl)c2ccccc21 1857569134 ZVLZGRRLGCJBIR-UHFFFAOYSA-N 424.283 6.175 0 1 HKAF CC=C(C)[C@@H](O)[C@H](C)C=CC=CCC(C)=CCc1nc(OC)c(OC)c(O)c1C 2356388498 HVSNZEPHFYYIKC-WIYYLYMNSA-N 401.547 5.067 0 1 HKAF CN[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC(C)=O)CC[C@@]45C[C@]35CC[C@]12C 2356491455 IXKWMHYTPDVHMP-ZCRZTVEHSA-N 414.678 5.538 0 1 HKAF COc1ccc2c(O)c([C@@H](C)C(C)=CCC=C(C)Cc3cc(C)co3)c(=O)oc2c1 2356592543 BPQMZQHENRZFOK-SFHVURJKSA-N 408.494 6.038 0 1 HKAF CC(=CCCC(=CC[C@@H]1OC(=O)C[C@@H]1CO)CO)CCC1=C(C)CCCC1(C)C 2356603096 XYSUNNIWINLBIX-GGAORHGYSA-N 404.591 5.253 0 1 HKAF O=P(O)(O)C=Cc1ccc(-c2ccc(O)c(C3C4CC5CC(C4)CC3C5)c2)cc1 2356710826 WLKWXSBSAHDBFW-UHFFFAOYSA-N 410.450 5.747 0 1 HKAF CC(=O)Nc1cc(-c2ccccc2F)cn2c(-c3cccc(C(F)(F)F)c3)cnc12 61907978 WLOVKTXJOCHDES-UHFFFAOYSA-N 413.374 5.785 0 3 HKAF O=C1N=C(c2ccccc2)/C(=C2/Nc3ccccc3S2)[C@H](c2ccc(F)cc2)N1 103864188 KUKGEMMYGBNOQD-PGVNHDJNSA-N 401.466 5.509 0 3 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1cc(Cl)cc(Cl)c1)Oc1ccccc1-3 3831961 DTIMQMAYRMJPRM-DEOSSOPVSA-N 422.355 7.750 0 1 HKAF CC(=O)N[C@@H]1CC2(CCN(Cc3ccc4[nH]c5ccccc5c4c3)CC2)c2ccccc21 3948581 FYCCIHGGLTVNRX-HHHXNRCGSA-N 423.560 5.436 0 1 HKAF c1ccc2c(c1)ccc1[nH]c(-c3ccc4[nH]c(-c5ccc6nc[nH]c6c5)nc4c3)nc12 13652263 DMMLLVQJSOUIPK-UHFFFAOYSA-N 400.445 5.803 0 1 HKAF Clc1ccc(Nc2nnc(-c3cccnc3CCc3ccncc3)o2)cc1Cl 14946605 CIWUKGVMAYCXDC-UHFFFAOYSA-N 412.280 5.362 0 1 HKAF COc1ccc(-c2nc(CCOc3ccc4c(c3)CC[C@H]4CC(=O)O)c(C)s2)cc1 28951971 GIXMGPYDKTUODZ-SFHVURJKSA-N 423.534 5.253 0 1 HKAF Cc1cc2nc(N3C(=O)/C(=C/Cc4ccco4)N=C3c3ccccc3)sc2cc1C 31905469 PTCJHEDPPKNFTQ-ODLFYWEKSA-N 413.502 5.426 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](N)C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34010796 MUNYFYVFFYKFPN-SCCXSETMSA-N 403.695 6.406 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C)C[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 36189502 DHZJVHCWDITFSE-JKXYXSHISA-N 401.679 6.832 0 1 HKAF C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1ccoc1 40392423 UXANYQKGZRIQIU-OJZQPWLLSA-N 413.602 6.055 0 1 HKAF Cc1cc(C)nc(SCc2csc(-c3cc(Cl)cc(Cl)c3Cl)n2)n1 40393535 HXOPBPNJZAUOJF-UHFFFAOYSA-N 416.786 6.469 0 1 HKAF CCCCOc1cc(-c2cc(/C=C/C(=O)O)ccc2O)cc2c1C(C)(C)CCC2(C)C 40949351 YTALWPXQSXDBPH-PKNBQFBNSA-N 422.565 6.685 0 1 HKAF C[C@H]1CN(Cc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)s3)cc2)C[C@@H](C)O1 45302244 DONJENJKKWNIDM-IYBDPMFKSA-N 421.541 5.707 0 1 HKAF CCCCNC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2Cl)CC1 49055554 KBCABXWNLQBGLN-NRFANRHFSA-N 420.384 5.210 0 1 HKAF O=C(CCC1CCN(Cc2ccc(F)cc2)CC1)c1cc2c3c(ccn3C(=O)CC2)c1 66113087 GAALVBXZLIDHQH-UHFFFAOYSA-N 418.512 5.242 0 1 HKAF Cc1cccc(Nc2nc(-c3ccnc(-c4cnn(Cc5ccccc5)c4)c3)cs2)c1 72116639 NWKQXEBORYJBRB-UHFFFAOYSA-N 423.545 6.169 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](O)CO 165515781 IDSLCYURGAOTOA-KOYQJJOGSA-N 404.591 5.585 0 1 HKAF CC(C)(CCOc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)cc1)C(=O)O 204773948 WIEFZVPEPCELFE-UHFFFAOYSA-N 419.403 5.037 0 1 HKAF O=C(O)c1ccccc1NC(=O)N1C[C@H]2C[C@@H](c3ccccc3C(F)(F)F)C[C@H]2C1 299841482 ZZZMLSGWZAFWHA-QKDCVEJESA-N 418.415 5.061 0 1 HKAF CCc1ccc(C(=O)N[C@]2(C)CCC[C@]3(C)[C@@H]2CC[C@@]24CC(=O)[C@@](C)(CC[C@@H]32)C4)cc1 299858033 GBBPOPDSNWEYSI-PUCDVXMCSA-N 421.625 6.103 0 1 HKAF CCCOc1cc2nc(-c3c(C)cccc3-c3ccccc3)[nH]c2cc1Br 586879511 SKVGMRYLDRDVNS-UHFFFAOYSA-N 421.338 6.757 0 1 HKAF O=C1c2ccoc2CC[C@H]1Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586908653 SNPREUZJCHZLHE-QMMMGPOBSA-N 402.294 5.181 0 1 HKAF COc1ccc2[nH]c3c(c2c1)Cc1nc2ccc(O)c4c2c(c1C3)-c1ccccc1C4=O 586989349 FVSIPOPSYKDGRZ-UHFFFAOYSA-N 418.452 5.137 0 1 HKAF Cc1ccc2c3c(cc(-c4cccc(SC(F)(F)F)c4)nc13)-c1ccccc1C2=O 586997430 XSGSDCZXUBDZTA-UHFFFAOYSA-N 421.443 7.034 0 1 HKAF Cc1cncc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c12 587014007 GMVGETAKJRKXPT-UHFFFAOYSA-N 421.526 5.328 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cc2)n1 587020434 SFZVHNDRYBPHRR-UHFFFAOYSA-N 417.462 5.609 0 1 HKAF Clc1ccc(-c2cc(-c3nc4ccc(Br)cc4[nH]3)ccc2Cl)cc1 587048025 PENKPTOJSASSKG-UHFFFAOYSA-N 418.121 6.966 0 1 HKAF COc1cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1OC 587111164 PEGQNKXACQODIE-UHFFFAOYSA-N 418.337 5.403 0 1 HKAF Fc1ccc2c(c1)C[C@@H](c1nc3cc(C(F)(F)F)cc(Br)c3[nH]1)O2 587173694 GQVAZFZCROPTCE-ZDUSSCGKSA-N 401.157 5.160 0 1 HKAF Cc1cc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1Br 587232869 CHGGEWZQICGCJF-TZMCWYRMSA-N 408.340 5.185 0 1 HKAF CCCCOc1cc2[nH]c(-c3ccc(NC(=O)OC)cc3)nc2cc1Br 587243759 QCVNJGYCMYNTMD-UHFFFAOYSA-N 418.291 5.350 0 1 HKAF COc1cccc(-c2cc(-c3ccc(Cl)cc3Cl)nc3c2oc2ccccc23)c1 587357423 IFLDNPBVZJVWPG-UHFFFAOYSA-N 420.295 7.630 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(Cl)cccc2CC3)c1 587359958 JIKMIDCECRLALU-UHFFFAOYSA-N 411.888 7.076 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccccc1Br)O2 587374961 AONNFVPARUEAII-JOCHJYFZSA-N 408.295 5.249 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3ccc(F)cc3)c3ccccc13)O2 587384591 NCUFUGMFNAFSFD-XMMPIXPASA-N 400.453 5.426 0 1 HKAF COc1cc2c3c(c1)O[C@@]1(CC[C@H]1c1ccccc1OCc1ccccc1)[C@@H](C2)C3=O 587444377 SSCJYWLIOWSSLO-BCQCSXDESA-N 412.485 5.338 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](CCc1cccc(SC(F)(F)F)c1)CC2=O 587464319 OCNJQEJUEYTBFF-AWEZNQCLSA-N 410.457 5.923 0 1 HKAF Cc1oc(-c2ccc(Cl)cc2)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587499917 JYCWQJYPNACEKI-VWLOTQADSA-N 406.909 6.668 0 1 HKAF CCOC(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587507568 RGAPAETZHJTDEP-QFIPXVFZSA-N 419.304 5.296 0 1 HKAF CCc1cc(=O)oc2cc(OC[C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc12 587532516 OINKGUHFOMAJPL-AREMUKBSSA-N 418.489 5.037 0 1 HKAF O=C1C[C@@]2(C[C@@H](c3ccccc3)Oc3cc(O)ccc32)Oc2c1ccc1c2CCCC1 587536699 VXQDXTCXLHKNGK-BDYUSTAISA-N 412.485 5.656 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cc(C(F)(F)F)ccc12 587545708 HEFVJIOQZPGVGB-UGKGYDQZSA-N 412.363 5.214 0 1 HKAF COc1cc(C)ccc1OCc1nc2cc(OC(C)C)c(Br)cc2[nH]1 587564205 OMXVFRILALDLHR-UHFFFAOYSA-N 405.292 5.009 0 1 HKAF Cc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587575918 GXVMMLYJWJKLBG-JYFHCDHNSA-N 411.457 5.503 0 1 HKAF CCCCC[C@@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577209 JQYHWQBTPVQRCG-RDGATRHJSA-N 403.478 5.412 0 1 HKAF COc1cccc([C@@H]2CCCC[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)c1 587601054 QEXNGTLEESUIDI-AMZDPNTKSA-N 416.473 5.459 0 1 HKAF CCc1cc(CC)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(CC)c1 587604402 WGSROJCJKMCTGB-ZEQKJWHPSA-N 402.490 5.782 0 1 HKAF CC(C)[C@@]1(Cc2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587702292 WGGIELMHNPIGPW-RNODOKPDSA-N 410.758 5.870 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2cccs2)(C(F)(F)F)N1 587706229 PKVICXHBJCGFJN-AXIZZESMSA-N 420.269 5.655 0 1 HKAF Cc1cc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587711987 YYJUFIZXIWJHED-QGHHPUGFSA-N 420.219 5.376 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2Br)N1 587726319 IHNPXXDPWUHFGG-ZKANADHPSA-N 417.091 5.113 0 1 HKAF CCCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587791423 IGKHXDUBMNYGQA-ZSEKCTLFSA-N 422.338 5.399 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccsc3)s2)N1 587854669 RVOZQTOEYSDKFX-XXFAHNHDSA-N 409.349 5.397 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2ccccc2nc1Cc1ccccc1 587871965 REQSIXDUZUUIKB-UHFFFAOYSA-N 424.479 5.611 0 1 HKAF COc1cccc(C2(c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)CCCC2)c1 587929903 AIESXVOBMBJBNH-UHFFFAOYSA-N 411.374 5.481 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCc3ccccc3)cc2F)N1 962949281 LEYNRBNYCKINIK-AVRWGWEMSA-N 400.497 5.900 0 1 HKAF Fc1cccc([C@]2(c3cc(Cl)cc(Cl)c3)NCCc3nc4ccccn4c32)c1 962994699 LLCMIKXIRNRHGJ-JOCHJYFZSA-N 412.295 5.218 0 1 HKAF Nc1cccc([C@H](Cc2cccnc2-c2cc(Cl)cc(Cl)c2)c2cccnc2)n1 1857628046 DNNDYWJRPGRJRR-HXUWFJFHSA-N 421.331 5.802 0 1 HKAF Brc1ccc2nc(-c3cc4ccccc4n3Cc3ccccc3)[nH]c2c1 1857746302 RRHVGGGMHFLMBW-UHFFFAOYSA-N 402.295 5.995 0 1 HKAF CC(C)CC=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356444837 KUVJXIWTCCCGQO-HHWKYPEDSA-N 400.691 7.491 0 1 HKAF CC(C)C(C)(C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356629314 ZMJOEKMTLFBAFL-UBJSOIBRSA-N 416.734 8.105 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@@]4(C)C3=CC[C@]12C)C(C)C 2356642757 SLDFVIVETHDYGI-SCQFOSHSSA-N 410.686 7.721 0 1 HKAF CC1=CC[C@]2(C)C(=O)O[C@H](O)[C@H](C(C)C)[C@@H]2CC=C(C(=O)O)C2=C(CC1)[C@H](C)CC2 2356855380 RCRCHROCRHFZHP-JIQKWTGBSA-N 416.558 5.014 0 1 HKAF O=C1CN(C(=O)CCC2CCCC2)[C@@H](c2ccc(F)cc2)c2cc(Cl)ccc2N1 2456352 QOZTVQSJNUMAOB-QHCPKHFHSA-N 414.908 5.320 0 1 HKAF CCC/C=C/C[C@H]1C/C=C/C=C(C)/C=C/C=C\[C@@H](O)C/C=C(C)/C=C/C=C/C(=O)N1 13909388 UMYFIUGQWGBKLX-FMPXKXPMSA-N 407.598 6.046 0 1 HKAF CC[C@H](CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 14717148 RUVUHIUYGJBLGI-XYKQGKFQSA-N 412.702 8.233 0 1 HKAF CC(C)=CCc1cc2c(c(CC=C(C)C)c1O)O[C@H](c1ccc(O)cc1O)CC2=O 14780756 KKTGOPZGAOCPHN-QHCPKHFHSA-N 408.494 5.527 0 1 HKAF biogenic Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3ccc(C)cc3)C2)cc1 28060998 WVHVEPCLGWYHLE-VWLOTQADSA-N 409.558 6.783 0 1 HKAF C[C@]1(C[C@](O)(CNc2cccc3cnccc23)C(F)(F)F)CCCc2ccccc21 28826248 AEYUJQIHDRFOMU-PKTZIBPZSA-N 414.471 5.624 0 1 HKAF Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)OC(C)C 40918399 NPVSUKLZEAKPMS-UHFFFAOYSA-N 403.507 5.536 0 1 HKAF COc1c([C@H]2COc3c(ccc(O)c3CC=C(C)C)C2=O)ccc(O)c1CC=C(C)C 43017392 XCHYGHACCAXWJR-OAQYLSRUSA-N 422.521 5.483 0 1 HKAF biogenic CC(C)CCN1CCC(Oc2ccc(NC(=O)c3cccs3)cc2Cl)CC1 45168392 NAWDQWXDFAKNSK-UHFFFAOYSA-N 406.979 5.543 0 1 HKAF COc1ccc(-c2cccc(C(=O)N[C@@H](CCN(C)C)c3ccc(C)cc3)c2)cc1 45287580 VJUTXDOZMRWGBD-VWLOTQADSA-N 402.538 5.093 0 1 HKAF COc1ccc(Br)c2nc(-c3ccc(C(C)C)cc3)n(CCN(C)C)c12 58582976 PIYMSTBXDZOMDH-UHFFFAOYSA-N 416.363 5.159 0 1 HKAF O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc(OCc3ccccn3)cc21 64548520 QPRXXTBXHLCPQN-UHFFFAOYSA-N 420.468 5.057 0 1 HKAF C[C@H]1[C@H](NCc2coc(-c3ccc(OC4CCCCC4)cc3)n2)C[C@@H]2C[C@H]1C2(C)C 72141313 NKAGGBGLAJVOEQ-VRUJCXGUSA-N 408.586 6.213 0 1 HKAF Cn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21 73169029 RWQIOAPAHWFTMQ-UHFFFAOYSA-N 418.806 6.176 0 1 HKAF C[C@H]1C[C@H](Nc2cncc(Oc3ccc(NCc4ccccc4)cc3)n2)CC(C)(C)C1 82068733 CLHNYUDXQVEADA-UGKGYDQZSA-N 416.569 6.508 0 1 HKAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc(F)cc2)C1 82140480 QRFBWYNCVYCNRW-HDICACEKSA-N 424.564 5.393 0 1 HKAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2ccccc2F)C1 82151510 FKJXCRQRDORTFX-RTBURBONSA-N 424.564 5.170 0 1 HKAF CCCCCn1c(-c2ccc(C)o2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188396 HYPBXAQWEDJXLP-QGZVFWFLSA-N 403.530 5.801 0 1 HKAF CCCCCCn1cc(COc2ccc3c(c2)O[C@@H](c2ccccc2)CC3=O)nn1 84689283 PPYYCWNWXNGXBY-HSZRJFAPSA-N 405.498 5.144 0 1 HKAF CCc1cccc(N(C)C(=N)Nc2cc(SC)cc(CC)c2Br)c1 84708810 LRSRDECOMDAWFK-UHFFFAOYSA-N 406.393 5.779 0 1 HKAF CS(=O)(=O)c1ccc2c(c1)c(Cc1ccc(F)cc1)cn2/C=C/CC(F)(F)F 84730070 YYYLTZVVRSBSCR-WTDSWWLTSA-N 411.420 5.198 0 1 HKAF CCOC(=O)c1[nH]c(Br)c(-c2ccc(SC)cc2)c1Br 96933264 HQSMNBRKELMUPR-UHFFFAOYSA-N 419.138 5.105 0 1 HKAF Cc1cccc2cc([C@@H]3CC(c4sccc4Br)=NN3)c(Cl)nc12 103212134 DLIIESXZCFYHJU-ZDUSSCGKSA-N 406.736 5.459 0 1 HKAF CCCCOc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)OCC 103543808 PRLOEDDUTGMFOV-QFIPXVFZSA-N 411.542 5.873 0 1 HKAF CN(c1ccccc1)c1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1 114592732 IHUMQNZIRSUKLU-UHFFFAOYSA-N 413.452 5.547 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc(F)c(C)c2)n1 142495941 XMENBBHSBMPRKW-INIZCTEOSA-N 401.489 5.473 0 1 HKAF CCC1=C[C@@](/C=C/c2ccccc2)(CC)[C@](CC)(C(=O)O)[C@H]2[C@H](CC)C(=O)[C@@H](CC)[C@H]12 145458281 PONZNCXOVALNKD-MLSMXVJKSA-N 422.609 6.795 0 1 HKAF CCCCCCCCCCCCCC(=O)N[C@H](C(=O)Nc1ccccc1)[C@@H](C)O 147079746 QOSLTKUTLCSRDO-OFNKIYASSA-N 404.595 5.192 0 1 HKAF c1ccc(CN2[C@@H](c3ccccc3)C3=C(NO[C@@H]3c3ccco3)[C@@H]3CCCC[C@@H]32)cc1 195495961 DGPSOURKQBTBED-SDDHZKHCSA-N 412.533 5.926 0 1 HKAF COc1cc2c(cc1CC=C(C)C)[C@@H]1COc3c(ccc(OC)c3CC=C(C)C)[C@@H]1O2 238769764 FRRIDYJLRAVGPK-CUNXSJBXSA-N 420.549 6.331 0 1 HKAF C[C@@H]([C@H]1CC[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C 255262490 RJNWIZNQHVCLDL-VMXFBZTESA-N 414.722 6.306 0 1 HKAF CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O 299880068 LREMEYPTUKLECW-MZURWIMNSA-N 414.590 5.244 0 1 HKAF COc1cc(Sc2c(-c3ccccc3)[nH]c3cccc(OC)c23)cc(OC)c1OC 473103977 NJVRQWBCVSWHEW-UHFFFAOYSA-N 421.518 6.021 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586918425 YSOMFZSECDGXPS-RXFWQSSRSA-N 410.473 5.010 0 1 HKAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(Sc3ccccc3)cc2[nH]1)C(C)C 586933322 PLEJBODSDDMFCY-FQEVSTJZSA-N 417.600 5.131 0 1 HKAF COc1c(F)cc(F)cc1Cc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586987278 VBVBTXWOAFQQHP-UHFFFAOYSA-N 403.384 5.029 0 1 HKAF Cc1nc(C(F)(F)F)ccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987335 VTJFAMOLTMXPGA-UHFFFAOYSA-N 406.363 5.541 0 1 HKAF Clc1c[nH]c2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc-2n1 586998574 MVVOQSHUBOXLMQ-VURMDHGXSA-N 401.651 5.151 0 1 HKAF N[C@H](N=O)c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 586998768 QQOKUXUEBCIJMU-ROFLEHJCSA-N 423.270 5.480 0 1 HKAF Clc1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2n1 586999109 VSJNGUKRWZGSGH-UHFFFAOYSA-N 414.690 5.620 0 1 HKAF NC(=O)c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 587010594 DDPRSNLBDIHZQC-UHFFFAOYSA-N 405.504 5.429 0 1 HKAF CCCOc1cc2nc(-c3sc([C@@H](C)OCC)nc3C)[nH]c2cc1Br 587014142 HEZMCPMFTKMNBR-LLVKDONJSA-N 424.364 5.644 0 1 HKAF Cc1c(F)ccc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c12 587021471 NXEXGNQBWARMSB-UHFFFAOYSA-N 401.470 5.940 0 1 HKAF FC(F)(F)c1cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2cc1Cl 587033086 RGUDKILGDVYWOT-UHFFFAOYSA-N 407.848 6.243 0 1 HKAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587041851 GVJCKCSTDAUFME-KRWDZBQOSA-N 422.579 5.460 0 1 HKAF Fc1cc(Br)cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587051550 TZVLRWGQVBLWDR-RKDXNWHRSA-N 400.078 6.042 0 1 HKAF O=C1COc2cc3nc(-c4ccc(-c5cc(Cl)ccc5Cl)o4)[nH]c3cc2N1 587051709 UEVQMDYVWTUNPM-UHFFFAOYSA-N 400.221 5.128 0 1 HKAF CCN1C(=O)C[C@@H](c2nc3cc(Cl)c(F)c(F)c3[nH]2)[C@@H]1c1ccccc1Cl 587060627 BLJBXGQCMXTHIQ-MGNBDDOMSA-N 410.251 5.225 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3cnn(-c4ccc(Cl)cc4)c3C)nc2c1 587075183 FKMIOTUPSOUALE-UHFFFAOYSA-N 401.695 5.448 0 1 HKAF COc1ccc2[nH]c3c(c2c1)Cc1nc2cccc4c2c(c1C3)-c1ccccc1C4=O 587108270 YJBXKPMWCNRXTL-UHFFFAOYSA-N 402.453 5.431 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)cc2F)c1 587143442 SPIAEFBZZFVVAF-UHFFFAOYSA-N 421.686 7.005 0 1 HKAF COc1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)nn1-c1ccccc1F 587155130 ARGAICZZHKTDNU-UHFFFAOYSA-N 410.758 5.236 0 1 HKAF CCCCc1c(CP(=O)(OC)OC)nc2cccc3c2c1-c1ccccc1C3=O 587209948 YHBUROYOLMZRFN-UHFFFAOYSA-N 409.422 5.775 0 1 HKAF Cc1cc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2cc1Br 587240169 GPMFRHFVEUXJRK-UHFFFAOYSA-N 418.291 5.353 0 1 HKAF CCCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352123 IHJXCRGRMUCOBV-XNMGPUDCSA-N 418.508 6.756 0 1 HKAF COc1cccc(-c2cc(CCc3c(F)cccc3F)nc3c2oc2ccccc23)c1 587360957 VWSGASBHIBTLQE-UHFFFAOYSA-N 415.439 6.720 0 1 HKAF CCO[C@H](C)c1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 587363680 SICCMIMSWZFGND-GOSISDBHSA-N 423.512 7.421 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cc(C(F)(F)F)c1)O2 587382826 SUROHEFGWQYUMP-HNNXBMFYSA-N 400.194 5.065 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1SC(C)C)[C@@H](C2)C3=O 587448938 NPBFXFRACMSTIC-YWZLYKJASA-N 419.340 5.447 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(C)c(C)cc21 587476886 BSRJURLOIIUEKY-HHHXNRCGSA-N 412.485 5.415 0 1 HKAF Nc1cc(Cl)ccc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587499186 HTKTVJLFPHJRHC-VWLOTQADSA-N 403.909 5.710 0 1 HKAF COc1ccc(Oc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 587521428 CAWXFXWFRATYFT-HHHXNRCGSA-N 414.501 6.247 0 1 HKAF CC(C)(C)c1ccc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587529340 OGOXUDHSQCOBBI-AREMUKBSSA-N 406.522 5.588 0 1 HKAF Cc1cc(C)cc(OCc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)c1 587533744 SWDCDLNXUABYCD-VWLOTQADSA-N 402.490 6.061 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cc1OCC1CC1 587570066 ULYCWOULGHQLND-ZJSXRUAMSA-N 406.409 5.023 0 1 HKAF Nc1ccccc1[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587579767 PFTUJTLLKFLRKL-SQHAQQRYSA-N 423.468 5.074 0 1 HKAF O=Cc1ccc([C@]2(C3CCCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587602917 LOSNWQCWGCOLFV-OZXSUGGESA-N 414.457 5.252 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(O)cc2)cc1 587606753 FZHFCYHLFDGDNP-OZXSUGGESA-N 410.425 5.468 0 1 HKAF Cc1cc(Cl)cc2c(N3CCOCC3)c(-c3ccc(Br)cc3)[nH]c12 587623194 ACASWHGYCAMBOH-UHFFFAOYSA-N 405.723 5.396 0 1 HKAF CCOC(=O)c1c(-c2ccccc2Br)[nH]c2ccc([C@H](C)CC)cc12 587639479 XLSTXTLAMLHOAB-CYBMUJFWSA-N 400.316 6.288 0 1 HKAF CCOc1cccc2sc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nc12 587662138 VDVMVJNVSMPNJY-UHFFFAOYSA-N 417.465 5.200 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(Br)c2)N1 587683311 WOZFHPJGSFLLDP-DYZYQPBXSA-N 413.128 5.148 0 1 HKAF Cc1ccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587742764 TXXYZDJWQUTPOI-HKEMUXKASA-N 417.366 5.058 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccco1 587749786 GBADNRYBZFJEIA-GTJPDFRWSA-N 417.322 5.271 0 1 HKAF Cc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587756504 RRCPJUQLVMYWCZ-NYHFZMIOSA-N 413.334 5.619 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cl)cc1F 587864023 BFJGTTBJENHLFQ-UHFFFAOYSA-N 412.770 5.449 0 1 HKAF NNc1ncnc2c1c(-c1ccccc1)c(-c1ccccc1)n2-c1cccc(Cl)c1 653845473 QKJMGPFUKSTWMZ-UHFFFAOYSA-N 411.896 5.694 0 1 HKAF CCC[C@@H](C[C@H]1c2ccsc2CCN1Cc1cccnc1)NC(=O)OC(C)(C)C 962995242 MPPHTUCCPVUSEP-ICSRJNTNSA-N 415.603 5.326 0 1 HKAF CN1C(=O)C[C@H]2CN[C@@H](c3ccc(OCc4ccccc4Cl)cc3)c3cccc1c32 963015803 BGAPEANNNFVDKH-BVZFJXPGSA-N 418.924 5.062 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1cccn1-c1cc(Cl)cc(Cl)c1 963115830 XPVNEBNTNUKWIW-PGRDOPGGSA-N 401.312 6.033 0 1 HKAF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)[C@H](C)C2CCCCC2)C(=O)OC)cc1 1772576027 PCKSWTKHTHJUTP-JBYIUTFZSA-N 403.563 5.048 0 1 HKAF Cc1cc(N[C@H]2C[C@@H]2c2ccccc2)n2nc(N[C@H](C)c3cccc(Cl)c3)nc2n1 1772602589 NQVRRGXOBOCGNT-YSGRDPCXSA-N 418.932 5.227 0 1 HKAF CCOC(=O)[C@H]1CC=C(c2[nH]c3nccc4c3c2CN(C)c2ccc(F)cc2-4)CC1 1772616065 PXBTXDMYAXRVNR-HNNXBMFYSA-N 405.473 5.065 0 1 HKAF CC(=O)Nc1nc2ccc(-c3cnc(C)c(CC(=O)OC4CCCCC4)c3)cc2s1 1857563676 WLAXMYKSWGIJKU-UHFFFAOYSA-N 423.538 5.044 0 1 HKAF CC(C)c1ccc(NC(=O)c2c(-c3ccc(Cl)cc3)ncnc2N2CCCC2)cn1 1857608900 AHORWTZOOGSVTQ-UHFFFAOYSA-N 421.932 5.168 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C 2356419757 CEDAPFOMKGAKTI-IRAZZGIESA-N 400.647 6.137 0 1 HKAF CC1(C)CC[C@]2(C)C[C@]3(C)[C@@H]4CC=C5[C@H](CC[C@H](O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 2356508917 UTFIVTJATBGEOF-KQZIPZGOSA-N 412.702 7.779 0 1 HKAF CCC(=CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356540758 JNYKCGNCXSSXEF-FDTCTUJQSA-N 412.702 7.945 0 1 HKAF CC1=C2C=C[C@]3(C)[C@H]([C@H](O)C[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@]2(C)CC1 2356558017 JPVAZROWIZUKBT-DYUMFWGWSA-N 412.658 6.280 0 1 HKAF CO[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]23)[C@@]2(C)CC[C@H](O)C=C12 2356588925 MJDZDJKAGVHWBM-INZFWDIDSA-N 416.690 7.014 0 1 HKAF CC(C)=CC[C@H](O)[C@H](C)CCCC(C)=CCC[C@H](C)C[C@@H]1OC(C)(C)N[C@@H]1CO 2356617337 YZMSZYHGXHXEPW-JTKSJCOOSA-N 409.655 5.348 0 1 HKAF CC1(C)CC[C@]2(C)C(=CC[C@]3(C)[C@@H]2CC[C@@H]2[C@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]23C)C1 13385714 DHEZBSKKDBWIDN-GYPOOIHASA-N 424.713 8.377 0 1 HKAF biogenic COc1ccc([C@H](Cc2ccncc2)c2ccccc2OC)cc1OC1CCCC1 13441977 WHYKRAHUZQZGBB-QHCPKHFHSA-N 403.522 5.795 0 1 HKAF CCCc1ccc([C@@H]2[C@H](CCCc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 27194938 XKZCELACIWMNIQ-RRPNLBNLSA-N 413.561 6.375 0 1 HKAF C[C@H](C(=O)Nc1ccccc1C(=O)O)c1ccc(Oc2ccc3ccccc3c2)cc1 27329638 WXNDKLDDQBZJJO-KRWDZBQOSA-N 411.457 6.073 0 1 HKAF CC(=O)Oc1ccc(-c2c(C)c3ccc(OC(C)=O)cc3n2Cc2ccccc2)cc1 28766361 KLWXYMJEVGTDOJ-UHFFFAOYSA-N 413.473 5.516 0 1 HKAF CCc1nc(N[C@H](C)c2ccccc2)c(CC)nc1Nc1ncc(Cl)cc1Cl 28956365 LDEKKTLRXJSKCX-CYBMUJFWSA-N 416.356 6.220 0 1 HKAF CCC(C)(C)[C@](O)(Cc1cc2ccncc2[nH]1)CC(C)(C)c1cc(F)ccc1OC 38268575 MDONCBVHXUPFSV-VWLOTQADSA-N 412.549 5.788 0 1 HKAF CCCCOc1ccc(Nc2cc(C)nc3ccc4[nH]cnc4c23)cc1OCCCC 39214858 ZNBIZPHBHGMORA-UHFFFAOYSA-N 418.541 6.521 0 1 HKAF O=C(Nc1ccc(O[C@H]2CCN(Cc3ccccc3)C2)c(Cl)c1)c1ccc(F)cc1 45324887 CIDXGUIQKFVHGX-NRFANRHFSA-N 424.903 5.385 0 1 HKAF CC(C)CCC[C@@H](C)CCC[C@@H](C)CCNCCNC1C2CC3CC(C2)CC1C3 49054074 OMMRNNMMBCQXFB-ZFQJWDNMSA-N 404.727 6.649 0 1 HKAF Cc1nc2c(Cl)cccc2nc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1 49068963 MVLVWBZCSDBJRB-UHFFFAOYSA-N 408.910 5.329 0 1 HKAF CCN(CC)C(=O)[C@H]1Sc2ccccc2-c2c1c1c(OC)cccc1n2CCF 68208437 VWCQIIUQPHDCEX-QFIPXVFZSA-N 412.530 5.302 0 1 HKAF CC1=Nc2ccc(-c3ccccc3)cc2[C@H](c2ccccc2)N1CCN1CCCCC1 72123043 PKQKKWTWBCGHPC-NDEPHWFRSA-N 409.577 6.294 0 1 HKAF CC[C@@H](C)NC(=O)c1cnc(NCC2CC2)nc1-c1ccc(-c2ccccc2)cc1 82154054 AIDPBDSQWGWNLN-QGZVFWFLSA-N 400.526 5.161 0 1 HKAF CCN(CC)C(=O)[C@@H]1Sc2ccc(OC)cc2-c2c1c1ccccc1n2CCF 96909196 ZIMVZKBPYCAUPT-JOCHJYFZSA-N 412.530 5.302 0 1 HKAF Clc1ccc([C@@H](OC2C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2)c2ccccc2)cc1 100872683 BRCNZPLXMLLSIC-KLJDGLGGSA-N 417.980 6.642 0 1 HKAF O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2c1ccc1ccccc12 101185526 UNGWGGUPRUDQFM-PHTYHVAFSA-N 417.936 6.254 0 1 HKAF Cc1sc(C(=O)CCc2ccc(OCCO)c(Cl)c2)c2c1[C@H]1[C@@H](C2)C1(C)C 103234974 AYUVQBYXBMAVRT-FOIQADDNSA-N 404.959 5.192 0 1 HKAF Oc1ccc2c(c1)CCc1ccc(c(O)c1)-c1ccc(O)c(c1)CCc1ccc-2c(O)c1 103248700 OBEWOTSFSFDEAN-UHFFFAOYSA-N 424.496 5.727 0 1 HKAF O=C(Nc1cc2nc(C3CCCCC3)[nH]c2cc1N1CCCC1)OCC(F)(F)F 103255867 FLQQGHKGKRYXDR-UHFFFAOYSA-N 410.440 5.322 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2ccc(F)c(Oc3ccccc3)c2)CCC1 103921583 TXJQSSRGXQUXNK-VWLOTQADSA-N 400.453 6.853 0 1 HKAF Cc1ccc(-c2cc(C(=O)NC(C)(C)c3ccccc3)cc(-c3nccs3)c2)cc1 113764861 NCOOLZQQHHZGQS-UHFFFAOYSA-N 412.558 6.451 0 1 HKAF O=C(O)/C=C/c1ccc(/C(=C(\c2ccccc2)C2CCC2)c2ccc3[nH]ncc3c2)cc1 114545240 HCMDSAHYPNHQTM-WKVUNKNDSA-N 420.512 6.420 0 1 HKAF COc1ccc2c(c1)CCN[C@@H]2CCCCCCC[C@H]1NCCc2cc(OC)ccc21 169327317 FPDUHVHKUZVGFI-KAYWLYCHSA-N 422.613 5.508 0 1 HKAF Oc1ccc(/C=C\c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@H]3c2ccccc2)cc1 238754505 SJLDVTZZJYMCTL-UMILOPMJSA-N 422.480 6.239 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(F)c(F)c(Cl)cc4[nH]3)cc2)CC1 586881798 VYFPHZDAJWWAAJ-SHTZXODSSA-N 402.916 7.626 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cccc(Oc4ncccn4)c3)nc3ccc(O)c1c23 586987769 FQSWGHRIYVYIPZ-UHFFFAOYSA-N 417.424 5.401 0 1 HKAF Cc1ccc2c3c(c(Cc4ccc(Cl)c(Cl)c4)cnc13)-c1ccccc1C2=O 586993532 OKONUUFFPUYJMR-UHFFFAOYSA-N 404.296 6.652 0 1 HKAF CC(C)Oc1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 587001339 NMOAYFNXQXHLKK-UTCJRWHESA-N 415.287 5.054 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5ccnc(Cl)c5[nH]4)c23)cc1 587038189 MOHRYSNFDSITBY-UHFFFAOYSA-N 423.954 5.884 0 1 HKAF COc1cc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1OC 587072517 RJTPVMDLAFKAQI-MIIDOCDQSA-N 417.336 6.253 0 1 HKAF Cc1ccc2c(ccc3[nH]c(-c4noc(C)c4COc4ccc(Cl)cc4)nc32)n1 587074924 AUOMPCXDZBDOIW-UHFFFAOYSA-N 404.857 5.615 0 1 HKAF C[C@@H](c1nc2c(Br)cnc(Cl)c2[nH]1)c1ccccc1C(F)(F)F 587098150 RQRQJGAVEUDIOV-SSDOTTSWSA-N 404.617 5.544 0 1 HKAF Cc1c(Br)cc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2c1C 587111836 BJLJNYAOTKHWFN-SNVBAGLBSA-N 411.265 6.307 0 1 HKAF Cc1cc(Br)cc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc12 587133223 MUWGYMAEVGTBFZ-UHFFFAOYSA-N 402.050 5.311 0 1 HKAF CC(C)Oc1ccc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2c1 587138397 HKPYSKIEBYAMDW-UHFFFAOYSA-N 408.404 5.661 0 1 HKAF COc1ccc(Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c(F)c1 587149341 QXYJDJGHAKGBAS-UHFFFAOYSA-N 407.283 5.099 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(Br)cc3[nH]2)cc1F 587151916 VPNYMMKNMOSSPZ-IBGZPJMESA-N 415.237 5.772 0 1 HKAF Cc1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cc1Cl 587182265 CZCRVYGXKQLZSV-UHFFFAOYSA-N 403.050 5.450 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1sc(-c2ccccc2)nc1CC3 587208577 VGKJBXVOIKOBQY-UHFFFAOYSA-N 416.505 6.335 0 1 HKAF CC[C@@]1(c2cccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331256 IXVIFDSOSQTBTK-REWPJTCUSA-N 414.835 5.988 0 1 HKAF Cc1cccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587341004 WIYNHKBMVLFPJM-NYUHFOLESA-N 417.480 5.169 0 1 HKAF Cc1ccc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 587344243 MAMIAJSBCQAREV-XMMPIXPASA-N 417.480 5.238 0 1 HKAF CC(C)(O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587349846 GCUARDQAEIWGNT-WIOPSUGQSA-N 406.453 5.033 0 1 HKAF Cc1cc(C)c2c(c1)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352639 NDNPDTKSLZESJM-RSXGOPAZSA-N 402.465 5.739 0 1 HKAF Cc1coc2c1[C@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358619 WVAWRXBBULUXCA-RDGATRHJSA-N 406.453 5.660 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(C)c(OCc4cccc(C)c4)c(C)c1)[C@@H](C2)C3=O 587443270 NDTCFGMMYYUQCP-WXVAWEFUSA-N 414.501 5.688 0 1 HKAF CCCCc1ccc([C@@]2(CCC(=O)O)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587487782 ITSUWYPHXDKPQD-RUZDIDTESA-N 410.510 5.413 0 1 HKAF O=C1C[C@@H](c2cccc(OCc3ccc(Cl)cc3)c2)Oc2c1ccc1c2CCCC1 587500647 MSYNHUUOQZQIKU-VWLOTQADSA-N 418.920 6.504 0 1 HKAF O=C1C[C@@H](c2ccc(-c3cc(F)cc(Cl)c3)cc2)Oc2c1ccc1c2CCCC1 587502926 IXHFYBMSYLATQB-DEOSSOPVSA-N 406.884 6.731 0 1 HKAF O=C1C[C@](c2ccccc2)(c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587509471 SRHFITRXYLABPI-VWLOTQADSA-N 422.446 6.493 0 1 HKAF C[C@H]1N(C(c2ccccc2)c2ccccc2)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517672 RVFZELLPBYKTDH-OLILMLBXSA-N 423.556 5.763 0 1 HKAF CC(C)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1ccc3c(c1O2)CCCC3 587517707 SLDJBWZYPPBMPK-CPJSRVTESA-N 413.558 5.325 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(OC(F)(F)F)c1 587553650 GFBZYITUQRWEOP-FXAWDEMLSA-N 420.314 5.133 0 1 HKAF C[C@]1(c2ccc(-c3ccncc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587743 PQWNZGUXXZFMIX-ZEQKJWHPSA-N 409.441 5.331 0 1 HKAF Cc1cc(Cl)cc2c([C@@H](C(=O)O)c3cccc(Cl)c3)c(-c3ccccc3)[nH]c12 587624209 FWOQKQBTCHOZCB-IBGZPJMESA-N 410.300 6.667 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc3cccnc23)N1 587692204 AWTOXRZVVYNPAJ-APBUJDDRSA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3cccn3)c(Cl)c2)N1 587695998 OTVWHLZYNIODRS-NSPYISDASA-N 420.713 5.051 0 1 HKAF COc1cc(Cl)cc(F)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587722959 UTZUJDTUSOHUNM-WNWIJWBNSA-N 402.666 5.013 0 1 HKAF CC(C)n1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587758540 QNPBNKNDZIBZME-YEJXKQKISA-N 401.323 5.747 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)CCC3)(C(C)(C)C)N1 587810132 BZQNQRSHPJYXAE-FATZIPQQSA-N 416.378 5.901 0 1 HKAF CCCCCC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587814627 VAHUKAGNVCMKIR-ZHRRBRCNSA-N 404.367 6.336 0 1 HKAF Cc1ccc(-c2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587820099 OVDFOXBANYWPIQ-NPMXOYFQSA-N 410.330 6.187 0 1 HKAF CCCC[C@@]1(CCCCC(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587829143 QURDPVTZTBPCJW-DJJJIMSYSA-N 400.332 5.153 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sccc2Br)N1 587845458 RDVCVSRKKIOHOU-WPPNPWJKSA-N 405.130 5.036 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ccc(O)cc3)n2)N1 587849902 BPCRQRQSJXUQCC-YPMLDQLKSA-N 419.319 5.041 0 1 HKAF O=C(c1ccccc1OCCOc1ccccc1)n1nc2cc1Oc1ccc(F)cc1-2 587873862 OLAPCBBKWQFEPC-UHFFFAOYSA-N 416.408 4.941 0 1 HKAF CC[C@@]1(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)CC(=O)c2ccccc2C1 587960950 OJXFGHOCGOZMRT-MHZLTWQESA-N 408.501 5.562 0 1 HKAF Cc1cc(-c2ncc(CC(=O)Nc3ccc4c(c3)[nH]c3ccccc34)cc2C)ccn1 653687073 IJBZCAJCZZEQKX-UHFFFAOYSA-N 406.489 5.576 0 1 HKAF C=C(NNc1nc(-c2ccc(Br)cc2)cs1)c1ccc(OC)cc1 958043842 QVYOUERUYQNQJG-UHFFFAOYSA-N 402.317 5.169 0 1 HKAF CC(C)=CCC[C@H](C)C[C@@H]1c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961744982 BGJLDMXXOZXSCE-WMZHIEFXSA-N 412.618 6.652 0 1 HKAF COc1ccc2c(c1OC)[C@@H](c1ccn(-c3c(C)cc(C)cc3C)c1)N(C)[C@H](C)C2 962638293 PGMDBLFWNHDLFT-KBMIEXCESA-N 404.554 5.386 0 1 HKAF C[C@@H](Oc1ccc2ccc(=O)oc2c1)[C@@]1(C)NCCc2cccc(-c3ccccc3)c21 962669908 PTIJFWJADACANI-DNOBIOAJSA-N 411.501 5.288 0 1 HKAF Cc1ccc(SC(C)(C)[C@@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962670304 QINPUDWWDZYYOA-OFVILXPXSA-N 420.578 5.254 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(C)cc2)(c2ccc(Cl)nc2)N1 962958278 PLWGVHZMJYGEGQ-UQBPGWFLSA-N 401.941 5.741 0 1 HKAF C[C@@]1(CSc2nnc3sc4ccccc4n23)c2ccc(F)cc2C[C@@H]2CCCN21 963099470 HSJGIJBBAXDJNB-KSFYIVLOSA-N 424.570 5.111 0 1 HKAF COc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)c2ccc(F)cc2C[C@H]2CCCN21 963103850 OFOFKUCGGWYSAP-JIPXPUAJSA-N 413.492 5.532 0 1 HKAF O=C(O)c1ccccc1[C@]1(c2ccc(Cl)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963110227 MTHCZOZNHRILQR-NLFFAJNJSA-N 421.899 5.490 0 1 HKAF CC1=C2CCN(Cc3ccccc3)C[C@@H]2CC[C@]12c1ccc(F)cc1C[C@H]1CCCN12 963118581 ZRMYRIUFHIXZNZ-UTOLSJPLSA-N 416.584 5.674 0 1 HKAF Cc1cccc2c1[C@@H](c1ccc3cc[nH]c3c1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963856302 WVOLLFAPGVWGEN-AUSIDOKSSA-N 420.509 5.202 0 1 HKAF CCc1ccccc1-c1cccc2sc(CNc3ccc(CC(=O)O)cc3)cc12 1772609751 GSSBGKRQWRDPRU-UHFFFAOYSA-N 401.531 6.370 0 1 HKAF COc1ccc(Nc2ncnc3c2[C@H](c2cc4ccccc4[nH]2)c2c(n[nH]c2C)O3)cc1 1772614309 QYVXVJCDRZXRHK-HXUWFJFHSA-N 424.464 5.028 0 1 HKAF CC[C@H](C)NC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772638506 RYZQOPNOURADGH-VSOYFRJCSA-N 411.509 5.400 0 1 HKAF C[C@@H]1CN=C([C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C(=O)C1 2356549046 PFDDAGIZOOZFQC-FUMIGEGXSA-N 413.646 5.692 0 1 HKAF COc1cc2c(cc1O)O[C@@H]1c3ccc(O)c(CC=C(C)CCC=C(C)C)c3OC[C@H]21 2356559633 GIZZVIVXSZOUBO-FQRUVTKNSA-N 422.521 5.951 0 1 HKAF CC(C)=CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)C=C[C@@]3(CC[C@@H]2[C@@]1(C)C(=O)O)C4 2356604205 RRRHNFHOWMELHD-YYVCGCKNSA-N 400.559 5.528 0 1 HKAF Cc1ccc2c(c1C)C1=CC[C@@H]3[C@]4(C)CC[C@H](O)[C@](C)(CO)[C@@H]4CC[C@]3(C)[C@@]1(C)CC2 2356668350 NOMDWAAODUIOPI-SKLZUEGUSA-N 422.653 6.235 0 1 HKAF Cc1ccc(OCc2cc(C(=O)N3CC[C@H](c4ccccc4Cl)C3)no2)cc1C 12582267 RIIVFFAFGCJNKW-KRWDZBQOSA-N 410.901 5.154 0 3 HKAF COc1ccc2c(c1)[C@@H](NC(=O)OCc1ccccc1)[C@H](C)[C@@H](c1ccccc1)N2 96018427 YNICECJEZWXFHA-CQLNOVPUSA-N 402.494 5.466 0 3 HKAF CCCN(CCCCF)c1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C 1906103 IRWQUUQULAEHOB-UHFFFAOYSA-N 410.581 6.237 0 1 HKAF CCCCCCOP(=O)(OCCCCCC)O[C@@H](C(=O)OC)C(F)(F)F 5711782 VULSCMWMOQMCEZ-AWEZNQCLSA-N 406.378 5.409 0 1 HKAF Fc1ccc(-c2cccc3c(CN4CCN(c5ccc(Cl)cc5)CC4)cnn23)cc1 13438662 LAZCWDPLJFPPDI-UHFFFAOYSA-N 420.919 5.116 0 1 HKAF CC1(C)CC=C(c2cccs2)c2cc(C(=O)Oc3ccc(C(=O)O)cc3)ccc21 13760600 HXFFKWLFGLGDNU-UHFFFAOYSA-N 404.487 5.779 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1ccc(F)c(C)c1)Oc1ccc(F)cc1-3 13777172 NJABZHTZWQUIIY-RUZDIDTESA-N 403.472 7.029 0 1 HKAF O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1Cc1cccc2ccccc12 28239263 HFVKRGHHAJMOEY-DEOSSOPVSA-N 410.904 5.894 0 1 HKAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(C5(C)OCCO5)=CC[C@H]4[C@@H]3CC[C@@H]2C1 38308703 RKDVZUVKDIUZHM-KECXACBSSA-N 402.575 5.260 0 1 HKAF Fc1cc(Cl)ccc1-c1nc2ccn(Cc3ccc(OC(F)(F)F)cc3)cc-2n1 40781724 LEIWEQYEBQZSPP-UHFFFAOYSA-N 421.781 5.789 0 1 HKAF O=C(COc1c(-c2ccccc2)oc2ccccc2c1=O)Nc1ccc2ccccc2c1 40976055 WFWZQCRRJAPNQP-UHFFFAOYSA-N 421.452 5.631 0 1 HKAF Clc1ccc(Oc2ccc(-c3cc4ccc(C5=NCCN5)cc4[nH]3)cc2)c(Cl)c1 45357425 SUNRTQCXFDOQMG-UHFFFAOYSA-N 422.315 6.284 0 1 HKAF c1ccc(Cn2c([C@@H]3COc4ccccc4O3)nc3ccc(-c4ccncc4)cc32)cc1 49032009 MHYIWQMBECATQF-SANMLTNESA-N 419.484 5.659 0 1 HKAF NCCCCCCNc1nccc2c3ccccc3n(CCCc3ccccc3)c12 64437090 WUNRBNPNBKEDLD-UHFFFAOYSA-N 400.570 5.753 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/COCc1cn(-c2ccc(C(=O)O)cc2)nn1 66066626 BXIIHHVNUNPHLO-TVGRKTJDSA-N 423.557 5.901 0 1 HKAF Nc1n[nH]c2cc(-c3ccc(C(=O)O)cc3)nc(-c3ccc(Oc4ccccc4)cc3)c12 68249017 FKAXISSURUVAIQ-UHFFFAOYSA-N 422.444 5.365 0 1 HKAF O=C(Oc1ccccc1)N1CCC(N[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72101847 ZNJPHSGUPUIDCS-QHCPKHFHSA-N 421.928 5.077 0 1 HKAF C[n+]1ccn(CCCCCCCCCCCCCCCCCCn2cc[n+](C)c2)c1 73167771 QRJDXOFNAILGRN-UHFFFAOYSA-N 416.698 5.880 0 1 HKAF Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)C[C@H]1C=C(C(F)(F)F)C=C[C@H]1C2 84653973 VUDCUVCODCIJBC-NWDGAFQWSA-N 409.860 5.604 0 1 HKAF CCN(CC)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC(C)C)cc1 103995871 YXVOWPQQOUUZJR-QHCPKHFHSA-N 424.585 5.929 0 1 HKAF Clc1ccccc1Nc1ncc(Br)c(Nc2cc(C3CC3)on2)n1 203008636 NFXPXVBDNZFUGW-UHFFFAOYSA-N 406.671 5.245 0 1 HKAF CN1C[C@](C)(c2cn(C)cc2-c2c[nH]c3ccc(Cl)cc23)c2cc(Cl)ccc21 221770351 CMOISPAWONHXEH-QHCPKHFHSA-N 410.348 6.236 0 1 HKAF Cc1ccc(O)cc1CC[C@H]1[C@@H]2C[C@H](O)[C@H]([C@H](C)/C=C/CC(C)C)[C@@]2(C)CC[C@H]1O 238760054 FVJIHTMQQWXGDJ-IAVYZUSISA-N 414.630 5.646 0 1 HKAF O=C(Nc1ccccc1Br)c1cccc(-c2ccc3ccccc3c2)c1 299840169 UTVAXMHAHQMQHK-UHFFFAOYSA-N 402.291 6.522 0 1 HKAF OCCCCCCCCCCCc1nc2c(Cl)c(Br)cnc2[nH]1 586894882 XQRBGQVKJSBBAN-UHFFFAOYSA-N 402.764 5.420 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(C(C)(C)C)ccc2[nH]1 586980753 FPUMYCFQWLZWHH-UHFFFAOYSA-N 408.343 6.389 0 1 HKAF CC(C)CCOc1ccc(Br)cc1-c1nc2cccc(C(=O)O)c2[nH]1 586981722 MNKSQUMXHZLQFZ-UHFFFAOYSA-N 403.276 5.116 0 1 HKAF CC(C)(C)c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 587010907 JMCNVYJKOVCPJH-UHFFFAOYSA-N 418.587 7.627 0 1 HKAF Cc1ccc(-c2nc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c(C)s2)cc1 587012337 IHXAXNVQJKTKIY-UHFFFAOYSA-N 411.530 6.549 0 1 HKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(Br)cc2[nH]1 587044489 DVJYZUZBPAHRIJ-UHFFFAOYSA-N 402.075 5.316 0 1 HKAF Clc1ccccc1OCc1ccc(-c2nc3nccc(Br)c3[nH]2)cc1 587063841 ZGNARMNLVOJMPT-UHFFFAOYSA-N 414.690 5.620 0 1 HKAF Clc1ccc(C2=C[C@@H](c3nc4ccc(Sc5ccccc5)cc4[nH]3)ON2)cc1 587076965 PYIUOAJUQMAFBW-NRFANRHFSA-N 405.910 5.985 0 1 HKAF CCOC(=O)[C@@H]1C[C@@H](C(C)C)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587096324 CPXKMGNBJFNQNP-HRAATJIYSA-N 413.517 5.620 0 1 HKAF COC(=O)c1cc2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc2cc1OC 587126206 WAVZZEQAOKOHSW-VMPITWQZSA-N 408.401 5.140 0 1 HKAF CC(C)(C)c1ccc2nc(-c3cc(I)ccc3Cl)[nH]c2n1 587182592 KJIAYCRCNXRTJW-UHFFFAOYSA-N 411.674 5.180 0 1 HKAF Cc1c2c(nc3c(Br)cc(Br)cc13)-c1c(N)cccc1C2 587208171 NGAYIVFFISFSOI-UHFFFAOYSA-N 404.105 5.222 0 1 HKAF O=C(O)CCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348059 CDHAQMBOUAKFGN-NOZRDPDXSA-N 420.436 5.041 0 1 HKAF COc1ccc(C)c2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355033 WMEXYYHSZYTECA-AZGAKELHSA-N 418.464 5.439 0 1 HKAF Cc1cc(C)c2c(c1)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357671 NXBVQCYFKCQDLR-RCZVLFRGSA-N 404.437 5.185 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@](C)(c2ccccc2)C3)c1 587367470 RNRMALVSANUGTG-LJAQVGFWSA-N 419.524 7.103 0 1 HKAF COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCc1ccc(Cl)cc1 587379138 GDELUSRXULURRZ-QFIPXVFZSA-N 423.896 5.525 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)N(C(=O)OC(C)(C)C)c3ccccc31)O2 587393145 ZAFPNVDYZCOMDO-VWLOTQADSA-N 422.525 5.362 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(C45CC6CC(CC(C6)C4)C5)ccc1O)[C@@H](C2)C3=O 587449153 HXGOMIBZJIWDBY-PWNHVMAJSA-N 416.517 5.357 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(F)ccc(Br)c1Cl)CC2=O 587467846 UUNAGJLMIFDVGG-HNNXBMFYSA-N 413.670 5.606 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](c3ccccc3)C[C@H]1C(=O)OCC)CC2=O 587482508 UDXJPIBCQCIOLD-JJHGTGHCSA-N 422.521 5.196 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccccc2O[C@@H]1c1ccccc1 587484707 HUACJRUDOWMVGM-FTJBHMTQSA-N 414.457 5.065 0 1 HKAF CCCCOc1c(Cl)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587496927 GUTBJWANVLSGGE-OAQYLSRUSA-N 414.929 6.113 0 1 HKAF O=C1c2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Cl)ccc21 587503633 VRHPTJNYIHHOEL-SANMLTNESA-N 414.888 5.672 0 1 HKAF Cc1ccc(-c2n[nH]cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587591207 BMLAHVASKWGPLG-PXDATVDWSA-N 412.445 5.102 0 1 HKAF CC(C)(C)OC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587595038 MGYYBPRNTRCQPO-NZQKXSOJSA-N 418.445 5.050 0 1 HKAF CC(C)Sc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587609039 UKXYXKBCRGNBCK-QPPBQGQZSA-N 406.503 5.770 0 1 HKAF O=C(O)c1cccc2c([C@H](C(=O)O)c3cccc(Cl)c3)c(-c3ccccc3)[nH]c12 587639065 SZZPVJJXPZBBLQ-GOSISDBHSA-N 405.837 5.403 0 1 HKAF Cc1c(Cl)ccc2c(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)ccnc12 587656180 CNHZDHXUZDWUOM-UHFFFAOYSA-N 415.855 5.702 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3c(F)cccc3F)o2)N1 587723182 WNEJAQYPWYDZJF-SBKAZYGRSA-N 422.244 5.750 0 1 HKAF CCCCC/C(=C\c1ccccc1)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587817663 DJMPNMOQCPQSKG-IZKARKCQSA-N 416.378 6.827 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCCC3)s2)N1 587848677 PIDYTUGIJUTWLP-HXPMCKFVSA-N 409.368 5.264 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc(C=O)sc3s2)N1 587858764 UEKDDUBUFJPKOZ-BCTVWOGZSA-N 410.333 5.301 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2cc(Cl)ccc2s1 587867074 RUQHPZISKIUZAQ-UHFFFAOYSA-N 423.847 6.220 0 1 HKAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 587936699 LQHGGRWUGGTZRN-JLCFBVMHSA-N 415.518 5.685 0 1 HKAF COc1c(Cc2ccccc2)cc(-c2ccccc2)cc1C(=O)NC1CCCCCC1 653842830 HQMXFSNYNCBHGR-UHFFFAOYSA-N 413.561 6.406 0 1 HKAF CCC(C)(C)[C@]1(c2ccc(Cl)cc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962728051 BXKNXNOOKPJMDK-GHTZIAJQSA-N 409.879 5.666 0 1 HKAF Cc1cc(Cl)cc2c([C@H]3c4ccc(F)cc4C[C@H]4CCCN43)c(C(C)(C)C)[nH]c12 963112907 XULJXIJXGGKOGT-WZONZLPQSA-N 410.964 6.676 0 1 HKAF COc1ccc(OC(F)(F)F)cc1-c1cccc([C@@H](CC(=O)O)c2nccs2)c1 1772598097 UUYBCLGTTPNNSU-MRXNPFEDSA-N 423.412 5.324 0 1 HKAF Cc1n(Cc2ccc3ccccc3n2)c2ccccc2[n+]1Cc1ccc2ccccc2n1 1772620857 CQDNZLMYOPBRAQ-UHFFFAOYSA-N 415.520 5.430 0 1 HKAF CCCCCCC(=O)Oc1cccc2ccc(-c3ccc(C(F)(F)F)cc3)nc12 1857562419 GMSCRPHKTKOPLW-UHFFFAOYSA-N 401.428 6.796 0 1 HKAF CCCCc1ccnc(Cc2ccc(Oc3ccc(Cl)cc3Cl)c(O)c2)c1 1857636344 ZWKBORNFGVQCAD-UHFFFAOYSA-N 402.321 6.820 0 1 HKAF CC1(C)CC[C@@H](N2CC(=O)Nc3ccc(Br)cc3[C@H]2c2ccccc2)C1 1911582324 XMBSHLFSZWIIJJ-DYESRHJHSA-N 413.359 5.371 0 1 HKAF C[C@@H]1CC[C@]2(C)[C@H](C)CC[C@H](O)[C@]23CC[C@@H]2[C@@H](c4c[nH]c5cccc(c45)C2(C)C)[C@H]13 2356382954 TYGWKVZJNJYVND-ASRDCUJSSA-N 405.626 6.782 0 1 HKAF CC(C)[C@@H](C)C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356494036 PRKPDIRLXGMLSU-HIBBJIFTSA-N 400.691 7.491 0 1 HKAF CC[C@@H]1[C@H](O)C[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CCCC(C)(C)[C@@H]5CC[C@]43C)[C@H]12 2356515314 KEXCKZCLTTUBOQ-KZGNJCQPSA-N 412.702 7.779 0 1 HKAF CC(C)=CCCC(C)=CCc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)c(C)cc1O 2356610490 MGUSWYZUFQZBMT-XMMPIXPASA-N 422.521 6.054 0 1 HKAF CCC=CCC=CCC=CCC=CCC=CCC[C@@H]1C(=O)O[C@@H](C)[C@H]1OC(C)=O 2356618838 LFCWALIIPYISGL-OEMFJLHTSA-N 400.559 6.011 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 2356680009 PRISGQUOLDSJKP-WOQMBKDMSA-N 400.691 7.779 0 1 HKAF Cc1ncc(CN2CCC[C@H](C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)s1 15066205 BKMXHRJXCXNEQV-IBGZPJMESA-N 409.530 5.108 0 3 HKAF CCNc1nnc(-c2ccccc2Nc2ccccc2-c2nnc(NCC)s2)s1 1860662 KJMMXUHDSKUPQW-UHFFFAOYSA-N 423.571 5.331 0 1 HKAF COCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1cccc2ccccc12 2482084 MZJZWPXREQKZFD-UHFFFAOYSA-N 406.869 5.191 0 1 HKAF COCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(-c2ccccc2)cc1 2483096 WQWDHVVAHAPENT-UHFFFAOYSA-N 416.452 5.191 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(C(=O)c4ccccc4)=CC[C@H]32)C1 4023147 GUHOJWMKULSAET-MIABJUDESA-N 418.577 6.300 0 1 HKAF biogenic Cc1ccccc1-c1nc(CN2CCC[C@H](C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)C2)c(C)o1 5055788 VUWRBUAIYNWXQK-RAKJYXHLSA-N 423.601 5.111 0 1 HKAF CC1(C)C=C([C@@]23C=C[C@@H](C2)[C@@H]2C(=C4CC(C)(C)NC(C)(C)C4)C=C[C@@H]23)CC(C)(C)N1 13562427 YPNNEKSEHNACRE-OJMUXBOWSA-N 406.658 6.079 0 1 HKAF C[C@](Cc1ccc(Cl)cc1)(Oc1ccc(Cc2ccc(Cl)cc2)cc1)C(=O)O 13604840 MNVFYGCTPJQRAX-HSZRJFAPSA-N 415.316 6.049 0 1 HKAF O=C1c2c(O)cccc2C(Cc2ccccc2)(Cc2ccccc2)c2cccc(O)c21 13606547 BJOYHYDMQQLOGP-UHFFFAOYSA-N 406.481 5.414 0 1 HKAF Cc1c(C)n([C@@H](C)c2ccccc2)c2nc(-c3ccc(Cl)c(Cl)c3)nc(N)c12 13756600 DVSGSWIPTYTWPR-AWEZNQCLSA-N 411.336 6.213 0 1 HKAF c1ccc(CN[C@H]2C3C[C@@H]4CCC[C@H](C3)N4[C@H]2C(c2ccccc2)c2ccccc2)cc1 22937442 KQKNMRPRNMBGPX-IFDAUJOFSA-N 422.616 5.992 0 1 HKAF CC1(C)[C@H]2CC=C(CCN3CCC(NC(=O)Nc4ccc5ccccc5c4)CC3)[C@@H]1C2 28708658 ZWEFOCKTWYGPJI-DHLKQENFSA-N 417.597 5.808 0 1 HKAF Clc1ccc(C[C@H]2CO[C@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 28767804 GBJGAPFLPDIIAV-PXNSSMCTSA-N 423.727 5.354 0 1 HKAF COc1c(-c2nnc(-c3ccccc3C(F)(F)F)n2C)cc2ccccc2c1Cl 29042891 JDADMRSCTRKLQN-UHFFFAOYSA-N 417.818 5.983 0 1 HKAF Cc1nc(-c2cnccn2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1 38216090 GPHSVVRXIKKAFP-MRXNPFEDSA-N 415.566 5.151 0 1 HKAF O=C(NC1(c2ccc(F)cc2)CCC1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1 45318227 HGIVCUULSZIRIL-NHCUHLMSSA-N 404.485 5.560 0 1 HKAF CCCCc1cnc([C@@H](CCCO)Cc2ccc(-c3ccccc3C(=O)O)cc2)[nH]1 49089763 IZKNYADXWAWXCN-FQEVSTJZSA-N 406.526 5.216 0 1 HKAF CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)OCc2ccccc2)c2ccccc21 49785106 SGMQSXYNZSKAJM-KBMIEXCESA-N 414.505 5.716 0 1 HKAF COc1ccc(/C=C(/c2ccc(OC)cc2)c2cc(OC)c(OC)c(OC)c2)cc1 64499340 IACBVJUAWGMDDP-HMAPJEAMSA-N 406.478 5.319 0 1 HKAF CCCCCCNC(=O)c1cn(CCCCC)c2ccc(Br)cc2c1=O 66077664 OJMLXUQEBNUNLD-UHFFFAOYSA-N 421.379 5.264 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CCC[C@H]3CCCC[C@H]32)C(C)(C)CCC1 72111127 BRGUBXOKOZHFBC-NVDZDPBESA-N 421.669 7.699 0 1 HKAF O=S(=O)(c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 72178328 PJQDBZVNLULKAP-UHFFFAOYSA-N 402.302 5.975 0 1 HKAF COc1ccc(Oc2cc(NC[C@H]3CC[C@H]4C[C@@H]3C4(C)C)ncn2)c2ccccc12 82067402 ZNTNTKVQCJZOOE-UWVAXJGDSA-N 403.526 5.915 0 1 HKAF C/C(=C(/OCCCOc1ccc(Cl)cc1)c1ccc(F)cc1F)n1cncn1 84741960 IBOZBKFHMFZNSG-ZHZULCJRSA-N 405.832 5.041 0 1 HKAF CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1cccc(Cl)c1 103230089 ITZCRRUDBXDZHZ-UHFFFAOYSA-N 418.213 5.806 0 1 HKAF COCOCc1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1 103239605 HZJBECVEPMHWLX-UHFFFAOYSA-N 408.498 5.233 0 1 HKAF Cc1nc2sc3cc(OCc4ccc5ccccc5n4)ccc3n2c1-c1ccncc1 103244707 KEEFSIHTRIQSSZ-UHFFFAOYSA-N 422.513 6.047 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137797084 PRKPDIRLXGMLSU-QIPDNDRQSA-N 400.691 7.491 0 1 HKAF C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@@H]3CC[C@@]21C 142818326 PFZXVVZKPCFFPL-SAANABATSA-N 412.702 8.067 0 1 HKAF CN1C/C(=C\c2ccccc2)C2=NN(CCCc3ccccc3)[C@@H](c3ccccc3)[C@H]2C1 196481773 OZJKSULROWWVTD-WZDYFOIXSA-N 421.588 5.677 0 1 HKAF COc1ccc(-c2csc(NC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)n2)cc1 215387489 UMJUVKKRAXXMQT-UHFFFAOYSA-N 422.594 6.666 0 1 HKAF Cc1ccc(Cc2ccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)cc2)cc1 216051702 BKBPLOFRWREOMZ-UHFFFAOYSA-N 402.925 5.693 0 1 HKAF COc1c2c(cc3oc(-c4ccc(OC(C)=O)cc4OC(C)=O)cc13)OC(C)(C)C=C2 238773973 ZESBXWGYLACNBK-UHFFFAOYSA-N 422.433 5.143 0 1 HKAF C[C@H]([C@@H](O)CCC1CC1)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253633091 HNXXYUFJNVUPGA-OJAUDWICSA-N 400.647 6.114 0 1 HKAF CCOC(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 299858475 SGWSNSHOXCGBOO-UHFFFAOYSA-N 415.537 5.167 0 1 HKAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4cncc(Cl)c4[nH]3)c(=O)oc2c1C 586918778 SZAYKNHNFCWBQF-UHFFFAOYSA-N 423.900 5.270 0 1 HKAF CCOC(=O)[C@@H](F)[C@@H]1CCCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 586996141 PQTYFFBMNGJLNG-ZHRRBRCNSA-N 403.453 5.076 0 1 HKAF FC(F)(F)C(F)(F)c1cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2cn1 587032402 JRHSOVUGIKJVCK-UHFFFAOYSA-N 424.398 5.620 0 1 HKAF Cc1c(Br)cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1C 587032535 KGBURJLJBNPTBA-UHFFFAOYSA-N 412.356 5.950 0 1 HKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(F)c(Br)c2[nH]1 587044772 QZQBTHKSEQDJIM-UHFFFAOYSA-N 420.065 5.456 0 1 HKAF COc1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 587070528 HPFJKJKGUDEWKY-QGZVFWFLSA-N 401.894 5.033 0 1 HKAF Clc1ccc(C2(c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)CCC2)cc1 587073943 OCBMHERNQJLVQD-UHFFFAOYSA-N 415.949 6.963 0 1 HKAF Cc1nc2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c2cc1Br 587075260 AQWWNQVNYAZTQB-UHFFFAOYSA-N 415.678 5.117 0 1 HKAF Cc1ccc(-c2cc(-c3nc4ccc5c(c4[nH]3)CCCC5)c3cccc(Cl)c3n2)o1 587083401 RVZNBAXMHAXXSJ-UHFFFAOYSA-N 413.908 6.879 0 1 HKAF COc1ccc(-c2ccccc2-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587106624 KARWBFVXLKHERD-UHFFFAOYSA-N 413.476 6.789 0 1 HKAF O=C(c1nc2c(Cl)ncc(Br)c2[nH]1)c1c(Cl)ccc(F)c1Cl 587132420 AQGOBIJXUHJFPR-UHFFFAOYSA-N 423.456 5.051 0 1 HKAF CC(C)(C)Oc1cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c(N)cc1F 587135901 HQXAHBNEYKRNTK-UHFFFAOYSA-N 405.473 5.708 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)cc2F)c1 587143193 LNYUDXXQHSFYRN-UHFFFAOYSA-N 422.769 5.458 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1 587195201 DMBSDMIPRGLISH-UHFFFAOYSA-N 407.301 5.611 0 1 HKAF COc1cc(Cl)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587330647 OPEIRIKVYABISU-FYYLOGMGSA-N 412.844 5.468 0 1 HKAF Cc1c(C)c(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1C 587349751 CPFIIRKIFYPJEG-AHKZPQOWSA-N 418.508 6.348 0 1 HKAF C/C=C/Cc1c(CC(=O)OC)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587364121 XDPITLNRRVPGIJ-SNAWJCMRSA-N 401.462 5.491 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccccc2SCC3)c1 587365896 IEVMYTDHZBLGJU-UHFFFAOYSA-N 409.510 6.972 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(F)c1)(c1c(N)sc3c1CCCC3)O2 587383284 ALKNMCZMVZJZEX-DEOSSOPVSA-N 422.525 5.148 0 1 HKAF Cc1cccc([C@]2(c3c(N)sc4c3CCCC4)CC(=O)c3cc(C)cc(N)c3O2)c1 587415413 RUMKCAZUWAYFIT-VWLOTQADSA-N 418.562 5.317 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1OC(C)C)CC2=O 587456922 CKVKIVSBEMKMHW-HXUWFJFHSA-N 419.315 5.601 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)nc(Cl)n1-c1ccccc1)CC2=O 587462721 RPXRAKUDAGKPDT-QGZVFWFLSA-N 417.292 5.544 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1CCC(F)(F)F 587545134 GKKVJKXNRRPUNZ-DENIHFKCSA-N 414.379 5.590 0 1 HKAF C[C@H](c1nc2ccccc2s1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616353 CBBGNJXQAAGCDT-WJDFUICOSA-N 417.486 5.526 0 1 HKAF CC(=O)Oc1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587621831 KZMYUXNRLVBAOL-UHFFFAOYSA-N 404.651 5.052 0 1 HKAF Fc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccncc2)cc1 587622241 GMVNNZTUJNRMNJ-UHFFFAOYSA-N 407.246 5.675 0 1 HKAF CC[C@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587692662 HRFGNPLQMLYVFW-MLCYQJTMSA-N 417.149 6.083 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2c(F)cccc2Cl)N1 587722109 QTBDQFYBSUVRDS-XTZNXHDOSA-N 400.694 5.589 0 1 HKAF CC1=C(/C=C\[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)CCC1 587816091 UBLPQJQPTHDFLX-LTBWUVEJSA-N 406.383 6.420 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)C(c1ccccc1)=C2c1ccccc1 587818797 FOEUUZJWLKGQCY-HNNXBMFYSA-N 420.325 5.942 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C(=O)C3CCC3)c2)N1 587821626 WNTWDLHGYMLLCX-FKIZINRSSA-N 402.307 5.195 0 1 HKAF O=C(COc1ccc2oc3c(c2c1)CCCC3)n1nc2cc1Oc1ccc(F)cc1-2 587873806 NMTMNMBIQHSNPW-UHFFFAOYSA-N 404.397 5.139 0 1 HKAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c2)c1 587932110 MVOBOPVABDLADU-UHFFFAOYSA-N 416.424 6.223 0 1 HKAF O=C(O)c1cc(Br)cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 587956270 PWALQOJWOBPXLN-QGZVFWFLSA-N 421.294 5.398 0 1 HKAF CCC/C=C/C[C@@H]1C/C=C/C=C(C)/C=C/C=C\[C@H](O)[C@H](O)/C=C(C)/C=C/C=CC(=O)N1 653745661 ALYLZDHKQZUVDF-CCHMCPKISA-N 423.597 5.017 0 1 HKAF O=C(Nc1cccnc1)N1CCC(Cc2cccc(Oc3ccc(Cl)cn3)c2)CC1 653823179 UCGHUYFVYSJSHO-UHFFFAOYSA-N 422.916 5.409 0 1 HKAF Oc1ccc(-c2ccc3ncc4nc(O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1 653854523 RDTYZFUTVKSKLI-UHFFFAOYSA-N 422.366 5.066 0 1 HKAF Cc1cccc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1OC(F)F 962645199 SGSIQMRHLZVKAP-XUZZJYLKSA-N 420.503 5.433 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](Cc2ccc(F)cc2)(c2cccc(F)c2)N1 962939999 CSCUZULRQWICLZ-HFZDXXHNSA-N 402.488 5.857 0 1 HKAF CC1(C)Cc2nc(Cl)cc(Cl)c2[C@]2(C1)c1ccc(F)cc1C[C@@H]1CCCN12 963106183 QYARSFNCUBSQJQ-NYHFZMIOSA-N 405.344 5.764 0 1 HKAF Cc1cccc(CC[C@]2(c3ccc(Cl)cc3)NCCc3c(C(=O)O)cccc32)c1C 963130549 JSBPYWOLMBTPEN-AREMUKBSSA-N 419.952 5.677 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1ccc(C)cn1)c1ccccc1C(F)(F)F 963241944 OWOGMHIKIPNWJA-UQBPGWFLSA-N 424.510 6.357 0 1 HKAF Fc1ccc([C@@H]2C[C@@H]2COc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)cc1 1772606911 CJOZVJDWVZKYBU-ZBFHGGJFSA-N 405.395 5.022 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1C=CC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 2356500232 PSJWKKYLLIKCCF-GXSUYBBWSA-N 410.686 7.865 0 1 HKAF COC(C)(C)C=CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356628685 BGFFWNIGBDDDCN-QEWPIGGMSA-N 414.674 6.934 0 1 HKAF O=S1(=O)c2ccccc2N[C@H](c2ccc3ccccc3c2)C[C@@H]1c1ccccc1F 1622409 SYCYJRTVAZFXCY-UKILVPOCSA-N 417.505 6.051 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 5453148 PJEIBQWLLDBCCO-FDUUVPPLSA-N 400.647 6.280 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CC/C(C)=C/C[n+]1cn(C)c2c(N)ncnc21 13298350 NALGSOQQUZLOIK-IGDBSQNJSA-N 422.641 5.363 0 1 HKAF O=c1c(-c2ccc(C(F)(F)F)cc2)cccn1[C@H](Cn1ccnc1)c1ccccc1 13488438 KCGULYCKVHGSFH-OAQYLSRUSA-N 409.411 5.020 0 1 HKAF COc1ccc(C(=O)c2cn(C[C@H]3CCCCN3C)c3ccccc23)c2ccccc12 13672806 ZMGWYGSWRVIQOM-LJQANCHMSA-N 412.533 5.518 0 1 HKAF CCN(CC)C[C@@H]1c2ccccc2CCN1C(=O)Cc1ccc(Cl)c(Cl)c1 26579797 KKCZBUOZNZLSHD-OAQYLSRUSA-N 405.369 5.004 0 1 HKAF CC[C@H]1C[C@H]2NC(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@@H]3[C@H]12 27302326 MASOXJRADXYGSF-RCTMHZSHSA-N 415.706 7.222 0 1 HKAF Cc1ccc(C(=O)C[C@@H](CC(=O)c2ccc(Cl)cc2)c2cccc(C(=O)O)c2)cc1 27637882 IEEHIXFSCSJMFD-NRFANRHFSA-N 420.892 5.976 0 1 HKAF Fc1ccc2c(CCCN3CCC(c4noc5cc(Cl)ccc45)CC3)noc2c1 27861302 DXPMTMYUYCIASC-UHFFFAOYSA-N 413.880 5.574 0 1 HKAF CC[C@H](C(=O)O)[C@H]1CCc2cc(OCCn3nc(-c4ccccc4)cc3C)ccc21 28563292 ZCZWMWGKTOSREI-JTHBVZDNSA-N 404.510 5.078 0 1 HKAF COc1cc(O)c2c(c1C/C=C(\C)CCC=C(C)C)O[C@@H](c1ccccc1)CC2=O 28964661 JNZJOLYHTZUUIO-PZSRYKBRSA-N 406.522 6.343 0 1 HKAF CCC[C@@]1(c2cccs2)OCC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21 34576396 QBINHQGBESEKBY-JOCHJYFZSA-N 415.917 6.220 0 1 HKAF CC(=O)Nc1ccc2nc(/C=C/[C@@H]3[C@@H]4[C@@H](C)OC(=O)[C@@H]4C[C@@H]4CCCC[C@H]43)ccc2c1 34802807 PZQYMDQMLYFNMZ-HHJHXYBCSA-N 418.537 5.210 0 1 HKAF CC[C@H](COc1cccc(C(F)(F)F)c1)OC(=O)NCc1cccc(Cl)c1 38289573 AADLHSYKYWGWSL-MRXNPFEDSA-N 401.812 5.443 0 1 HKAF CC(C)=CCC/C(C)=C\Cc1cc(-c2ccc3cc(C(=O)O)ccc3c2)ccc1O 40392615 RHLUZOKAXJTCDB-GXHLCREISA-N 400.518 7.146 0 1 HKAF Cc1nc(/C=C/[C@@H](O)C/C=C\CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)C)cs1 40393393 SQZGLNJGLTXCMY-MVBAAVGRSA-N 407.620 5.191 0 1 HKAF N=C(N)c1cc2c(O[C@H](CNCc3ccccc3)c3ccccc3)cccc2s1 45366273 NFJBOMRZPXKWOS-OAQYLSRUSA-N 401.535 5.095 0 1 HKAF Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4ccccc4F)c(F)c3F)[nH]c2c1 68247340 VCCNLDRHEVXGAJ-UHFFFAOYSA-N 418.321 5.599 0 1 HKAF CCCCN(CC)c1nc(NCc2ccc(C)cc2)nc(Oc2ccc(OC)cc2)n1 82067078 HKYCFUJLQFZBRW-UHFFFAOYSA-N 421.545 5.219 0 1 HKAF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccc(F)cc3)n2)C1 82139331 YFRQIYOWFIQVGD-QZTJIDSGSA-N 424.564 5.075 0 1 HKAF CC[C@H](C)Nc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccc(F)cc2)n1 82141725 KDQOLWXIVDOBOL-KRWDZBQOSA-N 400.542 5.247 0 1 HKAF C[C@@H](CNc1ncnc2c1nc(C1CCCCC1)n2C[C@@H]1CCCO1)c1ccccc1 82188282 NPXANKNPHOACGX-RXVVDRJESA-N 419.573 5.269 0 1 HKAF CN1CCC[C@H]1CCn1c(-c2cccs2)nc2c(NC3CCCCCC3)ncnc21 82190796 RSKZIQXGLRJBOL-SFHVURJKSA-N 424.618 5.174 0 1 HKAF Cc1ccccc1-c1nc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)ncc1-c1nc(C)c(C)o1 82221578 QJQZCOWGPHUYFD-HOWVWPRWSA-N 416.569 6.206 0 1 HKAF O=C(Nc1ccc(Cl)cc1)Nc1cccnc1Oc1cccc(C(F)(F)F)c1 95589681 RKYOSNJKFKOPQB-UHFFFAOYSA-N 407.779 6.190 0 1 HKAF Cc1cc(OCCCc2c(C(=O)O)sc3cc(Cl)ccc23)cc(C)c1Cl 95595875 LDHKTVULLKPADL-UHFFFAOYSA-N 409.334 6.535 0 1 HKAF Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 103230671 ANZNNONCPKQWNN-WKCHPHFGSA-N 422.399 7.493 0 1 HKAF CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC1=C(C)CC[C@H]2C(C)(C)CCC[C@]12C 145133514 SVBPAUAALMHKCI-ACKYKACDSA-N 410.730 9.508 0 1 HKAF C[C@H](CNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1)c1ccccc1 147846249 LZNDLLYIPFHYBW-LJQANCHMSA-N 424.504 5.546 0 1 HKAF FC(F)(F)c1ccccc1-c1nc(NCc2ccc(Cl)cc2)c2ccccc2n1 198406675 LXIVKVDJYMPXSW-UHFFFAOYSA-N 413.830 6.581 0 1 HKAF CC(C)(C)c1[nH]nc2c1[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O 224097786 NFPQHOKNWHJKMC-SFHVURJKSA-N 418.299 5.903 0 1 HKAF Nc1sc(-c2ccccc2)c(Cc2ccc(F)cc2)c1C(=O)c1ccc(Cl)cc1 473117291 YJNGEXRAFDPLQS-UHFFFAOYSA-N 421.924 6.612 0 1 HKAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCCCC1 584606009 GXQNYIDINGGTIY-UHFFFAOYSA-N 401.388 5.067 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc5c(cc4[nH]3)NC(=O)CO5)cc2)CC1 586880589 NDJSIYNTZGKHOQ-QAQDUYKDSA-N 403.526 6.025 0 1 HKAF COc1cc(/C=C\c2nc3ccc(Oc4ccccc4)cc3[nH]2)ccc1Br 586977913 VJOZISCGGYNPMH-WQLSENKSSA-N 421.294 6.297 0 1 HKAF Cc1cc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)c(C)s1 586994473 UJLOOJSATQRDOF-UHFFFAOYSA-N 415.470 5.124 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cccc(Cl)c4[nH]3)c(Cl)cc12 587078060 GNIYHRHLEIPGOE-LLVKDONJSA-N 417.292 6.069 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc2c1 587123002 AQZDEYYPKCJGTF-DAXSKMNVSA-N 412.820 5.785 0 1 HKAF Cc1cc(Br)c2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2c1 587193141 UKODIKOWNWIELV-UHFFFAOYSA-N 406.327 5.841 0 1 HKAF CC(C)[C@@H](c1nc2ccc(Br)cc2[nH]1)N(C)C(=O)OCc1ccccc1 587198319 YFWIJPVMOTTWCQ-SFHVURJKSA-N 416.319 5.291 0 1 HKAF C[C@@]1(c2c[nH]c3cc(Cl)ccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326792 DCBARDMHUHNHJT-UPVQGACJSA-N 421.855 5.940 0 1 HKAF C[C@@]1(c2c(Cl)nc3ccccn23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331918 RDMSWEGNSLMEBP-AUSIDOKSSA-N 422.843 5.107 0 1 HKAF C[C@]1(c2cc3cc(Cl)ccc3o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333434 SLOPYOFDLHHMDS-LADGPHEKSA-N 422.839 6.205 0 1 HKAF Cc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352865 JYKWNDMDLVWIHN-XTEPFMGCSA-N 424.471 6.142 0 1 HKAF CC(C)(C)[C@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357944 XEXNPIVEYGYROY-ZEQKJWHPSA-N 404.481 5.918 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cnn(C(C)C)c2CC3)c1 587363440 NLRZUCNPZXNVAU-UHFFFAOYSA-N 409.489 6.200 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](Cc2ccccc2)C3)c1 587365786 IYIWHQBXAGNWNL-HXUWFJFHSA-N 419.524 7.004 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3c4c(c1O)C(C)(C)CCN4CCC3(C)C)O2 587396216 YAHLZRVEWSXUFF-HXUWFJFHSA-N 420.553 5.158 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccc(Oc4ccc(C(C)(C)C)cc4)c1)[C@@H](C2)C3=O 587443143 OXVVYOBSAVJHSP-BKMJKUGQSA-N 414.501 6.274 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cc(C(F)(F)F)ccc3s1)CC2=O 587464731 WZLNJEWHMKYOQX-QGZVFWFLSA-N 406.425 6.285 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(N3CCC[C@H](C)C3)ccc1N)CC2=O 587476478 PBVHPLRRCNPGQM-IVCQMTBJSA-N 408.542 5.044 0 1 HKAF O=C1C[C@@H](c2cccn2-c2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587505670 IALCFTRYOGIWQJ-QFIPXVFZSA-N 411.423 6.081 0 1 HKAF Cc1ccc(Nc2nc(Cl)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1 587535450 KVUJKCSJEXAPFM-LJQANCHMSA-N 424.953 6.434 0 1 HKAF C[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541985 GZXUSPAMCMMYSA-WIYYLYMNSA-N 401.245 5.576 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1OCC1CC1 587548550 PVKAKYCQOVCIFT-QPPBQGQZSA-N 422.864 5.537 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cccc1C(F)(F)F 587549436 PZWPGYKWQHWTKU-PXNSSMCTSA-N 420.770 5.767 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCOc1c(Cl)cccc12 587554465 XUMCXEJQZKAYGO-CVDCTZTESA-N 408.837 5.075 0 1 HKAF C[C@@]1(c2ccc(F)cc2OC(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558520 WUBLONUSHXRDJS-GCJKJVERSA-N 416.351 5.010 0 1 HKAF CC[C@]1(c2ccc(OC(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596268 QFRNOHHDBFCVIE-WIOPSUGQSA-N 404.462 5.447 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OC2CCCC2)c1 587598904 CEJJXFQBFVVSEG-RCZVLFRGSA-N 402.446 5.417 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2ccsc2)n1 587618078 MMOQHFAGFYRCLV-REWPJTCUSA-N 401.443 5.219 0 1 HKAF CCc1c(-c2ccc(Br)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587620966 LJKOMKRWBHSEIX-UHFFFAOYSA-N 419.120 5.799 0 1 HKAF Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)F)cc1 587623044 XKBBPMWCAGEWGK-UHFFFAOYSA-N 404.214 5.230 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(Cl)cc2Cl)N1 587713861 DFNYCPZAYUESAR-GYKQLYQFSA-N 407.085 5.658 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCC(F)(F)F)c2)N1 587715978 ZACLQSXKLBVSJS-QGHHPUGFSA-N 418.228 5.153 0 1 HKAF CCOc1ccc(OCC)c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 587778748 RZEUMIOLPODMLD-UHFFFAOYSA-N 418.337 6.065 0 1 HKAF O=C(c1ccc(COc2cccc(Cl)c2)o1)n1nc2cc1Oc1ccc(F)cc1-2 587873932 MILZRQPUWWEHAI-UHFFFAOYSA-N 410.788 5.309 0 1 HKAF O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1cc(-c2ccccc2)no1 621476108 MBLNKOPSOXGUBG-UHFFFAOYSA-N 413.264 5.146 0 1 HKAF CCCC[C@@H](CNC)N1CCN(CCC23CC4CC(CC(C4)C2)C3)[C@H](C(C)C)C1 653723889 GQTTYIDSUNASTJ-OTWVKSSTSA-N 403.699 5.013 0 1 HKAF COC(=O)c1cc(-c2cc(N[C@@H]3CCCc4ccccc43)nc(C)n2)ccc1Cl 653778380 DNDBNODFQGVCGR-HXUWFJFHSA-N 407.901 5.382 0 1 HKAF Cc1cc2c(cc1F)[C@]1(NCC2)C(=O)c2c(C)coc2-c2ccc3c(C)cccc3c21 962141294 BXJFRMHLGRYFQR-HHHXNRCGSA-N 411.476 5.750 0 1 HKAF COc1cc2c(cc1OC)[C@](CCc1ccc(C)cc1C)(C1CCCC1)N(C)[C@@H](C)C2 962578103 ZYPTWJCHGAPFAL-KMRXNPHXSA-N 421.625 6.215 0 1 HKAF Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@]23NCCc2c(Cl)cc(Cl)cc23)cc1 963113203 VPOLIIVOKMZOKJ-RTWAWAEBSA-N 424.393 5.059 0 1 HKAF COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3c4cc5c(cc4CCN23)OCO5)cc1 1772605272 PEQKFJBUYHZJAN-KCWPFWIISA-N 424.500 5.150 0 1 HKAF COc1c(-c2ccccc2)cc(OC)c2c1oc1cc(O)c(OCC=C(C)C)cc12 1857549263 AMGZEEWYBXDHSG-UHFFFAOYSA-N 404.462 6.321 0 1 HKAF CN(C)C(=O)c1ccc(OCCCCCC2CCC3(CC2)CCC(C)(C)O3)cc1 1857757620 VUNHSYLAVCWIQR-UHFFFAOYSA-N 401.591 5.846 0 1 HKAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@@H]1[C@@](C)(COC(=O)C(C)C)CCC[C@@]12C 2356459729 XDWAWFACGNSUSS-CPSSSWKVSA-N 420.590 5.219 0 1 HKAF CN1C(=O)[C@@H]([C@H](Nc2ccccc2)c2ccc(Br)cc2)c2ccccc21 200889789 HTUIAVIVZAOCMD-NHCUHLMSSA-N 407.311 5.363 0 3 HKAF CCCn1c(NC(=O)c2ccccc2)nc(Cc2ccccc2)c1Cc1ccccc1 203463965 FKESJFIWAIRSJB-UHFFFAOYSA-N 409.533 5.727 0 3 HKAF CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl 4296900 IXODKNIAJHXDEU-HKUYNNGSSA-N 409.288 5.141 0 1 HKAF CCCCC(=O)Oc1ccccc1-c1nc2ccccn2c1NC(C)(C)CC(C)(C)C 4720505 XQKJNYNVRVSCCZ-UHFFFAOYSA-N 421.585 6.724 0 1 HKAF CN(C)C[C@H](CSc1ccccc1)C(=O)c1ccc(OCc2ccccc2)cc1 13741934 BZAUNRIMGLUBQY-JOCHJYFZSA-N 405.563 5.418 0 1 HKAF COc1c(CC=C(C)C)c2c(c(O)c1C(=O)Cc1ccc(O)cc1)C=CC(C)(C)O2 14455441 UWABGJHKEXTSMU-UHFFFAOYSA-N 408.494 5.225 0 1 HKAF biogenic Cc1csc([C@@]2(C)CSC(c3csc([C@@]4(C)CSC(C(C)C)=N4)n3)=N2)n1 14594353 BDZRADRTDBWWNO-QZTJIDSGSA-N 422.670 5.333 0 1 HKAF biogenic CC(/C=C/[C@@]1(C)[C@@H](C)CCC(=O)[C@H]1C)=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O 14856823 SETVRSKZJJWOPA-ZERLMYGGSA-N 404.934 5.559 0 1 HKAF Cn1ccnc1SCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 27299408 XSDOZLDQZOADLH-UHFFFAOYSA-N 420.607 6.142 0 1 HKAF CCC(=O)N1c2ccccc2[C@H]2CN3C[C@@H](c4ccccc4)c4ccccc4[C@@H]3C[C@H]21 27992287 DGVVVDGSJLZSRK-AEZNDSDVSA-N 408.545 5.488 0 1 HKAF CCCCN(CC)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 28903764 KCJSBLWRBWTKGJ-UHFFFAOYSA-N 423.992 5.874 0 1 HKAF C[C@H](Nc1cc(Nc2nccc(-c3ccc(N(C)C)cc3)n2)ccn1)c1ccccc1 29126560 BLBTWIJIFUJSHH-SFHVURJKSA-N 410.525 5.521 0 1 HKAF O=C1NC(=O)/C(=C\c2ccc(OCCn3c4ccccc4c4ccccc43)cc2)S1 29343340 OLGGEDZOXPFAFI-PXLXIMEGSA-N 414.486 5.197 0 1 HKAF CCCC[C@H](Sc1ccc(OCCCOc2cccc(OC)c2)cc1)C(=O)O 43020473 UKCHEONEJZMTLM-NRFANRHFSA-N 404.528 5.279 0 1 HKAF CC(C)CN1CCCN(Cc2cccc(NC(=O)c3cc4ccccc4s3)c2)CC1 45201248 ZHJIVOUGSKIAJF-UHFFFAOYSA-N 421.610 5.317 0 1 HKAF CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1cccc(Br)c1)CC2=O 45496841 IVXMXDBMLZPTMU-SFHVURJKSA-N 403.272 5.076 0 1 HKAF COc1cccc(-c2cc(COc3ccc(C(F)(F)F)cc3)cc3cccnc23)c1 58575952 RBRVHCMJYHPWCS-UHFFFAOYSA-N 409.407 6.508 0 1 HKAF CC[C@@H](C)Cn1c(CCc2ccccc2)nc2c(NCc3cccs3)ncnc21 82178845 TVTLVAKSDKFBIT-QGZVFWFLSA-N 405.571 5.331 0 1 HKAF CN(C)c1cc(/C=C/c2cc(O)cc(/C=C/c3ccc(O)c(N(C)C)c3)c2)ccc1O 84711362 BSBDLFPRAJHVHD-KQQUZDAGSA-N 416.521 5.276 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@H]1/C(=C/c1ccc(-c4ccccc4)c(Cl)c1)CN2C3 100950995 AQWNEEQYGAZQAV-DNYHIASKSA-N 421.968 5.684 0 1 HKAF O=C(N[C@@H]1CCc2ccc(O)cc2[C@H]1Cc1ccc(Cl)cc1)OCc1ccccc1 140472708 VPUSKBZBCKVJSQ-DNQXCXABSA-N 421.924 5.613 0 1 HKAF Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(OC2CCCC2)n1 144266029 JZFPVXZUCJMHBJ-UHFFFAOYSA-N 405.473 5.414 0 1 HKAF COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2ccccc2OC(C)C)C[C@@H]1C 169314520 SRHGMBJUUYCDFO-VSUDMRMVSA-N 420.509 5.354 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 255196740 ARVGMISWLZPBCH-WGIFXYRKSA-N 412.702 7.945 0 1 HKAF CCN(CC)CCOC(=O)C[C@@H](C)CC[C@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@@]21C 299837802 KZPFRVRONUBYMU-PETUGJSASA-N 421.666 5.449 0 1 HKAF c1ccc(CN2CCC(NCCCCCCCCn3ccc4ccccc43)CC2)cc1 299871233 YCTJTIRKQYGPIX-UHFFFAOYSA-N 417.641 6.236 0 1 HKAF CCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Oc1cccc(Cl)c1Cl 473104295 PAJDHHSYNVBWCT-UHFFFAOYSA-N 404.297 5.951 0 1 HKAF COc1cc(Sc2c(-c3ccccc3)[nH]c3c(OC)cccc23)cc(OC)c1OC 473104918 PXKNWJZFBJCLPF-UHFFFAOYSA-N 421.518 6.021 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3ccoc3COc3ccc(C=O)cc3)nc2c1 586900045 ACRIOOLWOYQBTC-UHFFFAOYSA-N 411.255 5.285 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c(CSc3ccc(C)cc3C)nc2c1 586963552 MTNPMGZHDZFFLH-UHFFFAOYSA-N 419.344 5.411 0 1 HKAF Cc1ccc(-n2cnnc2SCc2nc3ccc(OC(C)C)cc3[nH]2)cc1Cl 586968703 VADZEPLHGYDRQS-UHFFFAOYSA-N 413.934 5.185 0 1 HKAF Brc1ccc([C@H](c2nc3cc4ccccc4cc3[nH]2)N2CCCC2)cc1 586984233 CZSKSNUGLYOKDB-OAQYLSRUSA-N 406.327 5.664 0 1 HKAF Cc1ccc(NC(=O)Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1C 586995335 FTUNWAKSFVBBRZ-UHFFFAOYSA-N 406.485 5.553 0 1 HKAF Clc1cnc(Br)c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)n1 587005854 WLYSZKGDLQZLTG-UHFFFAOYSA-N 417.719 5.587 0 1 HKAF CCOC(=O)Cc1ccc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c2c1 587014703 OXJUZDSHZMWKMV-UHFFFAOYSA-N 411.914 5.421 0 1 HKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 587068605 CYKIXIKJACTCKU-MRVPVSSYSA-N 413.102 5.404 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(Cl)cnc4[nH]3)c(Cl)cc12 587078110 HWQZLBDYFAQWBP-SNVBAGLBSA-N 418.280 5.464 0 1 HKAF CCCOc1cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2cc1Br 587085060 XSXOVKJAISMOPR-UHFFFAOYSA-N 401.091 5.483 0 1 HKAF CCOc1cc(Cc2c(C)nc3c(C)ccc4c3c2-c2ccccc2C4=O)ccc1O 587096555 DXONCRLQNBUWIG-UHFFFAOYSA-N 409.485 5.758 0 1 HKAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(Cl)cc(Br)c2[nH]1 587109576 ZDGDJYRQTZLVJX-UHFFFAOYSA-N 419.584 5.363 0 1 HKAF CC(C)COc1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2cc1Br 587160961 JEKJGAYVBACJDS-CABCVRRESA-N 403.295 5.770 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 587329042 BXOFYQSACPRGDB-PWWKTKHKSA-N 406.428 5.736 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2Nc2ccccc2)[C@@H]1c1ccc(F)cc1 587340620 WFFPNUKHNZSAIA-MZKUHISZSA-N 417.480 5.684 0 1 HKAF C[C@@]1(CCc2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357692 NXOHFZJDRUCJLT-ZCYQVOJMSA-N 420.436 5.010 0 1 HKAF CCc1c(-c2c[nH]c3ccccc23)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587363132 NJKKCHIYWLQHQD-UHFFFAOYSA-N 418.496 7.367 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(Cl)ccc1O)(c1ccccc1Cl)O2 587377824 KKASNRRDDJJCQW-JOCHJYFZSA-N 414.288 5.499 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](c2ccccc2)Oc2ccc(O)cc21 587491829 QADLRIBAADJJAV-AHWVRZQESA-N 416.473 5.435 0 1 HKAF Cc1cccc(I)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587505210 HSQPQSCYQIYORX-SFHVURJKSA-N 418.274 5.185 0 1 HKAF CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)cc1OC(C)C 587510269 YFULOFOLQKHOGK-NRFANRHFSA-N 414.929 6.111 0 1 HKAF CC(C)(C)c1ccc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587529341 OGOXUDHSQCOBBI-SANMLTNESA-N 406.522 5.588 0 1 HKAF Cc1nc(C(C)(C)C)sc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612597 MDCMXYDSRDGLFK-GAJHUEQPSA-N 409.507 5.332 0 1 HKAF Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]c2ccc(Cl)cc12 587699282 PVHILRGPXFOOJS-UGZDLDLSSA-N 407.714 5.655 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(F)(F)F)(c2ccc(F)cc2)N1 587708839 FFRPXBPGRMNXOK-BTDLBPIBSA-N 420.219 5.458 0 1 HKAF CCOC(=O)Cc1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783858 HNXUYHIBXYTXGW-PTNGSMBKSA-N 412.489 5.418 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccccc3)cc2)N1 587807946 FTMBGBKJKFBSCW-FPTDNZKUSA-N 412.302 6.004 0 1 HKAF Cc1cc(C(C)(C)C)cc(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587816681 ZXLZQEPUNQHRTG-CMJOXMDJSA-N 418.394 6.300 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2Cc2cccs2)N1 587852104 KLDVKTLGDHFXIJ-CWTRNNRKSA-N 405.336 5.123 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCSc1ccc(F)cc1 587862005 ZEXLRXDYECMQQD-UHFFFAOYSA-N 424.419 5.539 0 1 HKAF Fc1ccc2c(c1)-c1cc(n(C(=S)Nc3ccc(Oc4ccccc4)cc3)n1)O2 587877130 YTMXVDSJOAUVFW-UHFFFAOYSA-N 403.438 5.832 0 1 HKAF Oc1cc(-c2cccc(Cl)c2)c(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 587945258 LCENZJKJQWBGAQ-IBGZPJMESA-N 411.860 6.174 0 1 HKAF Fc1ccc([C@]2(C[C@@H]3CCCO3)c3ccsc3CCN2Cc2cccnc2)cc1 963000820 XJFDCQDREKTZPC-XUZZJYLKSA-N 408.542 5.153 0 1 HKAF CN1C=C[C@@]2(c3ccc(C(F)(F)F)cc31)c1cccc(Br)c1CCN2C 963281237 QVXJVFLXPAHSDN-IBGZPJMESA-N 423.276 5.163 0 1 HKAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cc2cc(C(F)(F)F)ccc2s1 963635401 MNKZKYHZAYZYLG-BIBXISHDSA-N 407.457 5.561 0 1 HKAF C[C@@]12CN(c3ccc(Br)cc3)c3ccc(Br)cc3[C@@H]1CCN2 1857619198 PDEWFHSOYCUZAW-FUHWJXTLSA-N 422.164 5.199 0 1 HKAF CC=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356412762 AMBIHAYAXSFGSZ-VEVYEIKRSA-N 412.702 7.945 0 1 HKAF CCCC[C@@H](O)CC(C)=C(C)CCC(=O)CCCCC[C@@H](O)CC1CCCCC1 2356440392 ZOVJIBYKNFUISD-CLJLJLNGSA-N 408.667 6.895 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@@]4(C)C=C[C@@]3(CC[C@@H]2[C@@]1(C)C(=O)OC)C4 2356467411 PJWZGQUXXYMDML-OXHRVECYSA-N 412.570 5.537 0 1 HKAF COc1cc(OC)c2c(c1)[C@@H](c1c(C)cc3cccc(OC)c3c1O)[C@H](C)N=C2C 2356753347 PXBHZIFPQCRJCT-WNSKOXEYSA-N 405.494 5.223 0 1 HKAF CCCC1CCC2(CCCN2CCOC(=O)Nc2ccc(Br)cc2)CC1 205709496 YEENFZSMHSKVKH-UHFFFAOYSA-N 423.395 5.823 0 3 HKAF CCOc1ccc2[nH]c(=O)c(-c3nc4ccc(C)cn4c3NC3CCCCC3)cc2c1 1330408 BLSFZWWBJCEZAP-UHFFFAOYSA-N 416.525 5.295 0 1 HKAF CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215188 MNWFCGYYUOPBCQ-PVERMEFCSA-N 416.606 5.347 0 1 HKAF Cc1ccc(C(=O)N[C@H](CC2CCN(Cc3ccc(C)c(C)c3)CC2)C(C)C)cc1 13553771 YSUZANLXQIVPEN-AREMUKBSSA-N 406.614 5.669 0 1 HKAF CC(C)=CCC[C@]1(C)C=Cc2c(ccc3c2OC[C@H]2c4cc5c(cc4O[C@H]32)OCO5)O1 14614040 BRJDSJJWJLKHSZ-AFWDCEBSSA-N 418.489 5.936 0 1 HKAF biogenic COc1cc([C@@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)ccc1O/C=C\C(C)C 14658120 NXUQPWMHPDPMCA-SYXXPYJISA-N 424.493 5.048 0 1 HKAF endogenous,in-man COC(=O)[C@H]1CC=C(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C[C@@H]1C(=O)OC 26574916 MRKGZZRVSSGZIK-WMIMKTLMSA-N 422.650 6.724 0 1 HKAF CCOC(=O)CCCNc1[nH]nc2cccc(OCc3ccc(C(C)(C)C)cc3)c12 26732214 RANIOIWBSOZYOW-UHFFFAOYSA-N 409.530 5.195 0 1 HKAF CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)c(Br)c3)[nH]2)CC1 28473444 GBPDIMYYUIYXQU-UHFFFAOYSA-N 414.322 5.455 0 1 HKAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@@H]4N(C)C(=S)CC[C@@]4(C)[C@@H]3CC[C@]12C 29408894 UYQBCVKVDBCQNJ-XDNJVSCNSA-N 404.664 5.135 0 1 HKAF CCC1(CC)CN(c2ccccc2)c2ccc(O)cc2S(=O)(=O)[C@H]1CC(C)C 45186874 CGLGYUVQLOZZOE-QFIPXVFZSA-N 401.572 5.539 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 59789296 GKBHKNPLNHLYHT-XWEDIQBQSA-N 400.735 9.134 0 1 HKAF in-vitro COc1ccc(CC2c3c(Cl)cccc3C(=O)c3cccc(Cl)c32)cc1OC 64447335 UYQHGAIKSBLFHH-UHFFFAOYSA-N 413.300 5.930 0 1 HKAF Cc1ccc(-c2ccc3c(c2)[C@H](N2CCN(C)CC2)Cc2ccccc2S3)cc1 64548651 ACJNHQLAGNWKBM-XMMPIXPASA-N 400.591 5.658 0 1 HKAF CC(C)(C)c1ccc(CN[C@H]2CCCC[C@H]2NCc2ccc(C(C)(C)C)cc2)cc1 66078074 XAOMNBYDYCCLKS-WMPKNSHKSA-N 406.658 6.472 0 1 HKAF O=c1cc(OCc2ccccc2)oc2ccc(OCc3cccc(Cl)c3)c(O)c12 73161911 LZWBQCNYVBFTKO-UHFFFAOYSA-N 408.837 5.310 0 1 HKAF CCN(Cc1ccccc1)C(=O)c1cnc(NC2CCCC2)nc1-c1ccccc1F 82152978 RMUYCVWAAHVTEH-UHFFFAOYSA-N 418.516 5.300 0 1 HKAF CCc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2)s1 82162648 XRMBKORUOZPDCM-APMMZXSISA-N 418.610 6.312 0 1 HKAF O=C(Nc1cccc2cccnc12)c1ccc(N2C(=O)CC[C@H]2c2ccccc2)cc1 96909093 SMTHEHLVVRPFAV-QHCPKHFHSA-N 407.473 5.355 0 1 HKAF O=c1cc(-c2ccccc2)oc2cc(N3COc4c(Cl)cc(Cl)cc4C3)ccc12 103156810 DLTZFFGLABKTKF-UHFFFAOYSA-N 424.283 6.123 0 1 HKAF CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc(N(C)C)cc2)C2=C(O)CCCC2=N1 104700003 IQGCUPCENGYFAK-HSZRJFAPSA-N 419.500 5.339 0 1 HKAF CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2ccccn2)cc1 116712179 NHEJKBAEHHVXAN-UHFFFAOYSA-N 400.931 5.500 0 1 HKAF Cn1nc(-c2cccs2)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)s1 142587943 XAUCCZFBHMGFJG-UHFFFAOYSA-N 401.463 5.408 0 1 HKAF Cc1ccc(-c2cccc(NC(=O)c3ccc4cc5n(c4c3)CCCNC5=O)c2)s1 147845456 OQXFHPOXGIXPQP-UHFFFAOYSA-N 415.518 5.064 0 1 HKAF O=C(O)C[C@H](NC(=O)c1cccc(-c2ccccc2Cl)n1)c1ccccc1Cl 203336848 KVVDYOSLDAHMBN-IBGZPJMESA-N 415.276 5.001 0 1 HKAF COc1ccc(C(=O)Nc2ccc(F)cc2F)c(OCc2ccc(F)cc2F)c1 205748037 LDHQZLAHDGWLGM-UHFFFAOYSA-N 405.347 5.083 0 1 HKAF CC(C)=C(C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 215467881 RZAMOPONFAOTNS-PGAJIAHISA-N 400.691 7.779 0 1 HKAF CC(C)C1=C(C[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)[C@H]1C 238734018 LTSPMIHIWVJPLS-NOLYGIRTSA-N 412.702 7.635 0 1 HKAF CNC(=O)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)C(C)(C)CC(C)(C)S3)cc1 299856127 CDDLIRZVQRQVMU-MDWZMJQESA-N 408.567 5.250 0 1 HKAF Oc1ccc(N(Cc2ccccc2)c2ccc(OCCN3CCCCCC3)cc2)cc1 299856172 ILOLCFPIJKRAHE-UHFFFAOYSA-N 416.565 5.985 0 1 HKAF CCCOc1cc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2cc1Br 586898320 GJHKALWGZOFRQV-UHFFFAOYSA-N 423.310 6.154 0 1 HKAF COC(=O)c1ccc2c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c[nH]c2c1 586989749 QDCNOROJRDMZAX-UHFFFAOYSA-N 420.424 5.087 0 1 HKAF CC(C)(Oc1ccc(Br)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 586995042 CNJSBDQUIICHET-UHFFFAOYSA-N 401.091 5.341 0 1 HKAF Cc1cnc(Cl)c2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc12 586997975 GKURKLRAJIASPP-CLFYSBASSA-N 414.690 6.113 0 1 HKAF Fc1c(Br)ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 587006243 KEGAFZQWNQWUIN-UHFFFAOYSA-N 409.056 5.147 0 1 HKAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(F)cc2[nH]1 587019288 WTPGYUAGVZOICL-UHFFFAOYSA-N 406.313 6.458 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c21 587030791 LHIAWGIBIDZSGL-SECBINFHSA-N 405.420 6.078 0 1 HKAF N[C@@H](Cc1ccccc1Cl)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587059599 UBAAHFKLOFSRSF-INIZCTEOSA-N 404.926 5.736 0 1 HKAF FC(F)(F)C(F)(F)c1cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2cn1 587062537 GLRWQAAOZVPLRI-UHFFFAOYSA-N 414.721 5.587 0 1 HKAF Cc1nc2[nH]c(-c3cccc(-n4nc(C)c(Cl)c4C)c3)nc2cc1Br 587064787 GXNROPMZBSSHMU-UHFFFAOYSA-N 416.710 5.152 0 1 HKAF Cc1c(Br)ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587073687 KYQQKIIWZBAOLX-QGZVFWFLSA-N 404.739 5.624 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587074146 RAEDENYDLYDYOJ-UHFFFAOYSA-N 421.249 7.531 0 1 HKAF CCCCCOc1cc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2cc1Br 587089327 ALBRVHDWLLVFQT-ZDUSSCGKSA-N 417.628 5.818 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1cc3c(cc1OCC4)CCCC3)-c1ccccc1C2=O 587102164 SRFNHBZHNPQOKV-UHFFFAOYSA-N 417.508 6.235 0 1 HKAF Fc1cc2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc2cc1Br 587112429 MRGKSQSMKXPFDH-UHFFFAOYSA-N 410.168 5.699 0 1 HKAF Fc1cc(F)c2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2c1 587119831 HOJCUPOBSZDRQU-UHFFFAOYSA-N 415.325 5.237 0 1 HKAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(CC)cc4[nH]3)cc2)cc1F 587147807 SBPNMFKOQDSLGY-UHFFFAOYSA-N 401.485 5.272 0 1 HKAF COc1cc2c(cc1Cl)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331325 PHXBYNKDOGVWHG-ISKFKSNPSA-N 424.855 5.394 0 1 HKAF CC[C@]1(c2cc(F)c(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335139 PZRBVHPAAMKCRZ-JTHBVZDNSA-N 416.370 5.613 0 1 HKAF COc1cccc(-c2cc(-c3ccnc(C(F)F)c3)nc3c2oc2ccccc23)c1 587358464 BQTRTVYXRMLRNL-UHFFFAOYSA-N 402.400 6.656 0 1 HKAF CCOc1ccc(O)c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1 587361805 BKMRSKMGOZOOSH-UHFFFAOYSA-N 411.457 6.428 0 1 HKAF COC(=O)[C@@H]1CCCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587363827 WDGUDDQBFNSEQM-MRXNPFEDSA-N 401.462 5.325 0 1 HKAF CCOc1ccc(-c2nc3sccn3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587414941 PTHHGRAEUDYEOT-IBGZPJMESA-N 419.506 5.059 0 1 HKAF CCC[C@@]1(c2cc(Br)ccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422019 BPQXSSXIHLRKHA-QRWLVFNGSA-N 405.263 5.040 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](OC(C)C)c1ccccc1)[C@@H](C2)C3=O 587440054 NSFOCGIZANPYDX-ZDJNHPEVSA-N 414.501 5.504 0 1 HKAF Cc1ccc(C(=O)Nc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 587510113 FJJUABMOQQQVKY-VWLOTQADSA-N 411.501 5.833 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2Cl)o1 587546791 KPUXTJMDWXJRCV-ZJSXRUAMSA-N 418.832 6.009 0 1 HKAF CCC(C)(C)c1ccc(OCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 587565116 WXFZENUDZBFQPS-UHFFFAOYSA-N 412.839 6.382 0 1 HKAF C[C@@]1(c2ccc3c(c2)Cc2ccccc2-3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601709 GQJQDXGYCBQPAT-NAKRPHOHSA-N 420.464 5.840 0 1 HKAF CCCCCCc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587603838 RWIQAHDKWPCSQT-SQHAQQRYSA-N 416.517 6.392 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CC1CCCC1)c1ccccc1 587604377 WCEZCLAHNCLSTO-OZXSUGGESA-N 400.474 5.830 0 1 HKAF Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1 587612759 NBHXXHPFMYCSLL-WIOPSUGQSA-N 414.482 6.132 0 1 HKAF Cc1cc(Cl)cc2c([C@H](C(=O)O)c3cccc(Cl)c3)c(-c3ccccc3)[nH]c12 587624210 FWOQKQBTCHOZCB-LJQANCHMSA-N 410.300 6.667 0 1 HKAF COc1ccc2c(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc(C)nc2c1 587660127 NTCRDFJZKJBNBP-UHFFFAOYSA-N 411.436 5.057 0 1 HKAF CC[C@@]1(c2cc(Cl)ccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587693761 FIBIGQNCJLRPSB-WLRWDXFRSA-N 412.730 5.438 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2C[C@H]2c2ccccc2Cl)N1 587700137 UUDMGIABVRKFQJ-HZVRUGQBSA-N 408.742 5.795 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(C(F)(F)F)c2)N1 587711279 JMIKMPLGGHIFQJ-PWJLMRLQSA-N 406.192 5.370 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3cccc(F)c3)no2)N1 587735611 YEIZYTSQEXETER-APBUJDDRSA-N 405.242 5.006 0 1 HKAF COc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587755731 QILFAQOFZXQVEH-ZSEKCTLFSA-N 415.306 5.011 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(COC/C=C\c3ccccc3)nc2c1 587781949 ZRKNDWCLDKSWLR-DAXSKMNVSA-N 400.322 5.831 0 1 HKAF CCCOc1cc2c(cc1[C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)CCC2 587792385 KRLSOTQYUWLNNA-WHEQGISXSA-N 418.350 5.489 0 1 HKAF CC(=O)C[C@]1(c2c(C)cc(C)cc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812951 MDGQQNYPZNZDRE-OYHNWAKOSA-N 418.350 5.270 0 1 HKAF Cc1ccccc1-c1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587821209 TVWRPAONZUSKFM-WNSKOXEYSA-N 410.330 6.187 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H]2C[C@@H]3C=C[C@H]2C3)N1 587821224 TZJDUWGPHISWKJ-QGLLMXCWSA-N 412.346 5.578 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CN3CCCCC3)s2)N1 587848930 QAVBSEPSRRWQDY-RBZFPXEDSA-N 423.395 5.259 0 1 HKAF COc1ccc([C@@H](c2ccccc2)c2nc3c(F)cnc(Br)c3[nH]2)cc1 587935712 IPRQUIBGNFIDFK-MRXNPFEDSA-N 412.262 5.048 0 1 HKAF CCOC(=O)CCCCCC[C@]1(C(C)C)c2cc(OC)ccc2CCN1C(C)C 962085673 ABICTSPYVXBNMA-VWLOTQADSA-N 403.607 5.717 0 1 HKAF COc1ccc([C@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1OCCC(C)C 962616814 BMZKPOVYTQQEOY-OSPHWJPCSA-N 413.558 5.103 0 1 HKAF CCCOc1c(Cl)cc([C@@H]2N[C@H](CC)Cc3c2[nH]c2ccccc32)cc1OCC 962951561 OETNIOVVYJCOGI-ZHRRBRCNSA-N 412.961 6.023 0 1 HKAF Cc1ccc([C@]2(c3ccc(Cl)nc3)NCCc3c(Cl)cc(Cl)cc32)cc1C 963105290 ICWKEQQCTBFVBE-JOCHJYFZSA-N 417.767 6.096 0 1 HKAF Cc1ccc(Cn2c([C@@H]3c4ccc(F)cc4C[C@@H]4CCCN43)nc3ccccc32)cc1 963115350 VYTWNKAZXFEAFQ-NVQXNPDNSA-N 411.524 5.642 0 1 HKAF Cc1ccc(CC[C@@]2(c3ccccc3F)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963118210 ZAQYHNZDGOHZTG-KCWPFWIISA-N 403.516 6.170 0 1 HKAF O=C(O)CC[C@H]1CCc2cc(-c3cc(OC4CCC4)cc(Cl)c3F)ccc2O1 1772645495 JJWUOOVUICPONN-MRXNPFEDSA-N 404.865 5.636 0 1 HKAF CC(C)=C(C)CC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@@H]1C(=O)O3 2356411041 XBLCKYCBDPEWDW-CGQSVGMGSA-N 414.630 6.564 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc(O)c2c(O)c3c(cc12)C[C@@](C)(O)CC3=O 2356522867 XDCYRXRRQCNEGZ-RUZDIDTESA-N 410.510 5.072 0 1 HKAF CO[C@@H]1OC(=O)C2=CC[C@@H]3[C@](C)(CC[C@@H]4[C@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]34C)[C@H]21 2356846243 OLOLYAQBLACKEO-GBHOQSMUSA-N 400.603 6.127 0 1 HKAF O=C1CS[C@@H](c2cccc(Oc3ccccc3)c2)N1c1cc(Cl)ccc1Cl 1659499 DTDTUSBHAUXNAR-NRFANRHFSA-N 416.329 6.564 0 1 HKAF C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccc(CSCc2ccccc2Cl)o1 4710108 VMMJQCJJGIIEKM-IRXDYDNUSA-N 421.006 5.359 0 1 HKAF Cc1ccc2nc(Cl)c3cc(C(=O)NCCCN4CCC(C)CC4)sc3c2c1 4961576 RTZCUOXUKUOSIC-UHFFFAOYSA-N 415.990 5.263 0 1 HKAF COc1cc(OC)c(OC)cc1/C=C/[C@@H]1CCC=C[C@H]1c1ccc(OC)c(OC)c1 13384115 DPPUNDFHJDXSHJ-DWWIYJRSSA-N 410.510 5.493 0 1 HKAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H](SCC)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC 27998549 TUZIQBBNQXRODW-MGZDCVQVSA-N 410.620 5.100 0 1 HKAF COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1[C@@H]1C=C(C)CC[C@H]1C(C)C 34255916 OJZQYJGQIQVZMQ-VQTJNVASSA-N 408.538 6.018 0 1 HKAF biogenic C[C@H](Nc1cc2c(-c3cc(Cl)cc(CCCO)c3)noc2cn1)c1ccccc1 34285229 MMGKIHLBFPJYJL-HNNXBMFYSA-N 407.901 5.641 0 1 HKAF in-vivo COc1ccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc23)cc1 40394945 CKCLKZTYGRLRHF-UHFFFAOYSA-N 419.872 5.679 0 1 HKAF CC1=CCCC(C)(C)[C@H]1Cc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O 42990168 HTXVMYSFROUDJB-INIZCTEOSA-N 422.477 5.207 0 1 HKAF biogenic CCN(c1ccc(C(C)C)c(OCCCc2ccccc2)c1)c1ccc(C(=O)O)cn1 66114248 NSJIEKPNKVMLGM-UHFFFAOYSA-N 418.537 6.073 0 1 HKAF COc1ccc(CCN2COc3c([C@@H](C)CCC=C(C)C)ccc(C)c3C2)cc1OC 66252627 IJWLTRHXHCJOMS-FQEVSTJZSA-N 423.597 6.257 0 1 HKAF COc1cc([C@@H]2c3c(nc4c(c3N)CCCC4)Oc3ccc4ccccc4c32)ccc1O 71318572 WUDMZCGNMXLYBE-QHCPKHFHSA-N 424.500 5.696 0 1 HKAF CCCCCn1c(-c2ccc(Cl)cc2)nc2c(NCc3ccc(C)cc3)ncnc21 82179135 HWYOPEQFQLFGRU-UHFFFAOYSA-N 419.960 6.257 0 1 HKAF C/C=C(\C)[C@H](O)[C@@H](C)/C=C(C)/C=C\C/C(C)=C\Cc1oc(OC)c(C)c(=O)c1C 90373153 PFVSUJLJFXJPMF-NRSHZCSASA-N 400.559 5.610 0 1 HKAF O=C(Nc1cccc(OC(C(F)(F)F)C(F)(F)F)c1)c1cc(Cl)ccc1O 95580259 XBTOHOPMYONXGK-UHFFFAOYSA-N 413.701 5.170 0 1 HKAF COc1cc2c(cc1OC)CN(Cc1csc(-c3ccc4ccccc4c3)n1)CC2 95586338 HSNKXGIDZSLNMR-UHFFFAOYSA-N 416.546 5.539 0 1 HKAF O=C(Nc1cccc(-c2nc3ncc(-c4ccc(Cl)cc4)cc3o2)c1)c1ccco1 96914408 ASRSIOCRCIGKPH-UHFFFAOYSA-N 415.836 6.056 0 1 HKAF c1ccc(CN[C@H]2C3C[C@H]4CC[C@H](C3)N4[C@H]2C(c2ccccc2)c2ccccc2)cc1 100714219 AIGRKPPMDORFBF-KFADFNFCSA-N 408.589 5.602 0 1 HKAF O=C(c1csc2ccccc12)N(CCc1ccc(Cl)cc1)[C@H]1CC[C@H](O)CC1 101226461 UGCSUMOERDQTPT-KDURUIRLSA-N 413.970 5.543 0 1 HKAF Oc1ccc(CN[C@H]2CC[C@@H](CCC(c3ccccc3)c3ccccc3)OC2)cc1 103228741 IBPAMTCOLSYHRP-AHWVRZQESA-N 401.550 5.642 0 1 HKAF C[C@@]1(c2cc(Cl)cc(NC(=O)c3cc4ccccc4s3)c2)CCSC(N)=N1 141468464 KDLYSZWBMLLFGW-FQEVSTJZSA-N 415.971 5.474 0 1 HKAF CSc1ccccc1[C@@H]1Nc2cc(C)ccc2N=C2CC3(CCCC3)CC(=O)[C@@H]21 169722053 SAJQIPOBQLKYTB-RPWUZVMVSA-N 404.579 6.496 0 1 HKAF COC(=O)c1cc(-c2cccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)cs1 205944242 LXFUPYLFUYRMAD-UHFFFAOYSA-N 421.396 5.353 0 1 HKAF O=C(O)/C=C/c1ccccc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586879673 MNGYDNSLFKCFRA-AATRIKPKSA-N 411.177 5.109 0 1 HKAF Cc1cc(Br)ccc1OCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586980635 BXDCYHOUKSFNHU-UHFFFAOYSA-N 421.294 5.444 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cccc(NC(=O)C4CCC4)c3)nc3ccc(O)c1c23 586986656 DUMWZFOSPXLKMX-UHFFFAOYSA-N 420.468 5.557 0 1 HKAF FC(F)(F)Sc1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1 587015443 DCCYJUDWFQNXJM-UHFFFAOYSA-N 411.861 6.619 0 1 HKAF N[C@H](Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccccc1Cl 587055906 FPMOKOPSKCCDIJ-GFCCVEGCSA-N 418.644 5.240 0 1 HKAF Cc1nn(-c2cccc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c2)c(C)c1Cl 587064762 FZLLRZUERNRZCT-UHFFFAOYSA-N 406.795 5.584 0 1 HKAF COc1cc(Cl)ccc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587066001 CZPDRYJHLZIHAT-UHFFFAOYSA-N 405.601 5.673 0 1 HKAF Clc1cccc(-n2nc(-c3nc4ccc5ncccc5c4[nH]3)cc2-c2ccco2)c1 587068351 SGUSBPSCMKBLKG-UHFFFAOYSA-N 411.852 5.877 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 587072215 OWANCUNTFFWOBS-DXPHVESMSA-N 413.308 5.818 0 1 HKAF Oc1ccccc1-c1cc(-c2nc3nc(Cl)c[nH]c-3n2)c2cccc(Cl)c2n1 587081796 VGGYLYLVORUJSV-UHFFFAOYSA-N 408.248 5.199 0 1 HKAF CC(C)(C)c1ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2n1 587091172 GKCGBNZFAZMACL-UHFFFAOYSA-N 418.341 5.277 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1cccc3nc(O)n(c13)CC4)-c1ccccc1C2=O 587095977 DUCHBQYOGQQCDS-UHFFFAOYSA-N 403.441 5.033 0 1 HKAF Oc1nc2cc3[nH]c(-c4ccc(Oc5ccc(C(F)(F)F)cc5)cc4)nc3cc2[nH]1 587111693 GZRSVCIIJRPFLJ-UHFFFAOYSA-N 410.355 5.623 0 1 HKAF CCOC(=O)c1ccc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c2c1 587122137 RQWNVSXELGNOOA-UHFFFAOYSA-N 415.371 5.162 0 1 HKAF Cc1cc(Br)c2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c2c1 587133648 XSZYBPGWVASZAT-UHFFFAOYSA-N 402.050 5.311 0 1 HKAF Fc1cc(Br)c(Cl)cc1-c1nc2ccc(Br)c(F)c2[nH]1 587136879 PDVBHXBUJZYHCP-UHFFFAOYSA-N 422.454 5.687 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c(F)c1 587143792 AMOBEQBYFPGKCK-UHFFFAOYSA-N 415.346 5.456 0 1 HKAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(Br)c(Br)cc3[nH]2)c1 587161128 KJNRDKMBPYWGHK-WDEREUQCSA-N 410.084 5.498 0 1 HKAF O=Cc1ccc(-c2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)o1 587205964 FOHFIDLRMRSJJE-UHFFFAOYSA-N 401.421 6.186 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3c(Cl)cccc32)[C@H]1c1ccc(F)cc1 587337070 ZPBORYSNMZMVAO-LADGPHEKSA-N 408.856 5.775 0 1 HKAF COc1ccc2c(c1)CCCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348015 GDSJYKXEALVBST-AHWVRZQESA-N 418.464 5.521 0 1 HKAF CCOc1ccc(-c2[nH]c3ccccc3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587397088 RUTALYKMIOGDFS-QHCPKHFHSA-N 412.489 5.831 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(Sc4ccccc4Cl)cc1)[C@@H](C2)C3=O 587454196 XAFDJJCSNBHEDW-GAJHUEQPSA-N 408.906 5.989 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1ccc(Cl)c(Cl)c1)CC2=O 587458934 ATQBCVUARJZMFZ-GMAFFVFYSA-N 420.336 5.588 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(C(=O)OCC)[nH]c3ccc(CC)cc13)CC2=O 587484403 OSOPTEZRMHXPKY-NRFANRHFSA-N 421.493 5.272 0 1 HKAF O=C1C[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)Oc2c1ccc1c2CCCC1 587510684 ZBJDUMUGFMEBNB-QFIPXVFZSA-N 413.300 6.839 0 1 HKAF Cc1cc(C)c(-c2csc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2)cc1C 587535952 QDDSPDMBMGYEMI-HSZRJFAPSA-N 403.547 6.321 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccccn2)cc1 587585380 CXBBNVPRRPOGDL-RCZVLFRGSA-N 411.413 5.282 0 1 HKAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)cc1 587787825 WZXJVTBXBDIUHK-NWDGAFQWSA-N 410.779 5.058 0 1 HKAF CCc1ccc(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587798713 VMHMUDVUSHSRDS-XUSGNXJCSA-N 414.322 5.164 0 1 HKAF Cc1cc(C)c2c(c1)CC(C)(C)C[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587823979 SSICHMYHNZYPEO-NPMXOYFQSA-N 416.378 5.955 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C3CC3)oc3ccc(O)cc23)N1 587826628 FVPDDHLTYLKVFE-FVINQWEUSA-N 416.290 5.541 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 587831503 XOXJUGQKBBSZES-ASSNKEHSSA-N 400.291 5.780 0 1 HKAF CSc1ccc([C@]2(C(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587844271 LFTGJOUUWRDYRX-RBZFPXEDSA-N 408.380 5.744 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccs3)s2)N1 587849689 VIVSDTNXODVWSE-YPMLDQLKSA-N 408.361 6.002 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3cccs3)c2)N1 587849958 CFURDCXZTCXOSZ-FKIZINRSSA-N 402.332 5.940 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(-c2ccccc2)nn1 587865564 BKOONACPSWDVKD-UHFFFAOYSA-N 410.399 5.414 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CCCN(CC2CCCCC2)C1 587872004 GRIBMAPIISICJH-FQEVSTJZSA-N 413.537 5.020 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 685935922 HCXVJBMSMIARIN-FTDOQOQMSA-N 412.702 7.801 0 1 HKAF biogenic,in-vitro CSc1ccccc1[C@]1(c2ccsc2)NCCc2cccc(-c3ccccc3)c21 962668801 RBMXJFOJQRNRRN-SANMLTNESA-N 413.611 6.575 0 1 HKAF CC(C)(C)[C@@]1(c2ccc(Cl)cc2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962985090 AUIBAHYCELTFTB-QRWLVFNGSA-N 414.279 5.160 0 1 HKAF CCC[C@@H](C)N1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(F)c(F)c2)CC1 1772579292 KFGVTSJDQVXIPB-GOSISDBHSA-N 415.528 5.652 0 1 HKAF CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CCC(=O)C(C)C)C1 2356447900 ISWCIVAWIORWPI-LLHYTFRDSA-N 414.674 7.222 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)C=CC(C)C)C1 2356463196 SAWMHXICEQYKKZ-AJKJBRKTSA-N 414.674 7.425 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 2356599100 NGLLGTNDMOTXMC-YLLIHTPASA-N 414.718 8.025 0 1 HKAF C[C@@H](C[C@@H](O)CC(C)(C)O)[C@H]1CC[C@@H]2C(=CC=C3C[C@@H](O)CC[C@H]3C)CCC[C@]21C 2356625751 YIXWXJZATQCQEC-LACHIMHFSA-N 418.662 5.785 0 1 HKAF CC1=CCC[C@@H]2[C@@](C)(CC/C(C)=C/Cn3c[n+](C)c4c(N)ncnc43)[C@@H](C)CC[C@@]12C 8584445 NALGSOQQUZLOIK-WEPWVEHGSA-N 422.641 5.363 0 3 HKAF in-vitro Cc1cc2c(cc1Cl)SC(C(=O)c1ccc(Cl)c(Cl)c1)=NS2(=O)=O 1663292 VDUJFEVFRLILDT-UHFFFAOYSA-N 420.726 5.031 0 1 HKAF CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1/C=C/c1ccccc1 13672338 TVZNWOVBAQXKHS-WUKNDPDISA-N 415.489 5.581 0 1 HKAF CC(C)=CCn1c2c(ccc1=O)[C@H](NCCc1cc(Cl)ccc1Cl)CCC2 13743303 KFHMSZURQLIYFX-HXUWFJFHSA-N 405.369 5.331 0 1 HKAF CCn1c2ccccc2c2cc(NC(=O)N(C)[C@H](C)[C@@H](O)c3ccccc3)ccc21 13863356 UMIXGCZCYBSETE-MZNJEOGPSA-N 401.510 5.400 0 1 HKAF CCc1oc([C@@H](C)C(=O)[C@H](C)c2oc(CC(C)C)c(C)c(=O)c2C)c(C)c(=O)c1C 14587454 FNFUWLSRKIARQE-ROUUACIJSA-N 414.542 5.064 0 1 HKAF biogenic C[C@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc(C(=O)c2ccccc2)c1 29411475 NVCHWGDAUAEPHA-AJTFRIOCSA-N 403.610 6.846 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@@H](N)C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 34010795 MUNYFYVFFYKFPN-RFXIROGFSA-N 403.695 6.406 0 1 HKAF Oc1ccc2c(c1)CCc1ccc(O)c(c1)-c1cc(ccc1O)CCc1ccc-2c(O)c1 34655385 ZVVCUSDMHMVYJD-UHFFFAOYSA-N 424.496 5.727 0 1 HKAF biogenic Cc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc3nc4ccccc4nc3s2)cc1 40421631 HPHXEEMKOMVOMF-JOCHJYFZSA-N 421.529 5.904 0 1 HKAF CC(C)n1c(Nc2ccccc2Cl)nc2cnc(Nc3c(F)cccc3F)nc21 40565982 IPDSQEZRSOVVIZ-UHFFFAOYSA-N 414.847 5.826 0 1 HKAF CCCCOC(=O)Cn1nnc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 40899578 KRRCOEFFZZIIOW-UHFFFAOYSA-N 404.297 5.262 0 1 HKAF CC(C)=CCc1c2c(c(O)c3c1O[C@@H](c1ccc(O)cc1O)CC3=O)C=CC(C)(C)O2 43019132 DFVFCZXJTRKRPI-HXUWFJFHSA-N 422.477 5.203 0 1 HKAF biogenic O=C(NC1(c2ccccc2)CCC1)[C@@H]1CCC[C@H]1c1cc(-c2cccc(O)c2)on1 45245691 LKGXQEPWUQBIDS-NHCUHLMSSA-N 402.494 5.127 0 1 HKAF CC(C)(C)OC(=O)NC[C@@H](c1c[nH]c2cc(Cl)ccc12)N(O)Cc1ccccc1 71341210 XYYMVTSULJEXOH-FQEVSTJZSA-N 415.921 5.279 0 1 HKAF O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@@]2(CCN(C3CCCCC3)C2)c2ccccc21 73219342 VDMKUDNKZWHZNN-SANMLTNESA-N 417.528 5.244 0 1 HKAF Cc1ccccc1-c1nc(NCCc2ccccc2F)ncc1-c1nc(C)c(C)o1 82177570 ULUBEORDIPSDRM-UHFFFAOYSA-N 402.473 5.518 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@@H](NCc3cccc(Cl)c3)CC[C@]12C 95587261 XLTRIZPFRLTWED-XZNOJURMSA-N 420.081 6.838 0 1 HKAF Oc1ccc(/C=C/c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@H]3c2ccccc2)cc1 96917605 SJLDVTZZJYMCTL-UMNOWRGXSA-N 422.480 6.239 0 1 HKAF S=c1oc(-c2ccc3c(c2)OCCO3)nn1CNc1ccc(Cl)c(Cl)c1 96935196 PVSJSYLKQHZOEM-UHFFFAOYSA-N 410.282 5.020 0 1 HKAF CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2sncc2c1)c1ccccc1 114594426 ZQIGDTAJJDEEJC-LVMHYTKUSA-N 411.526 6.763 0 1 HKAF C/C=C(\CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 135623041 CQSRUKJFZKVYCY-FOVYKHAASA-N 414.718 8.025 0 1 HKAF COc1cc(-c2cc(C(=O)O)sc2-c2ccc3ccccc3c2)cc(OC)c1OC 137967503 QSKZZKWNZDRAFN-UHFFFAOYSA-N 420.486 5.959 0 1 HKAF COc1cncc(OC)c1[C@H]1CCCCC(=O)N1Cc1cccc(-c2ccccc2)c1 167025946 CHTGYZJKSLFAHJ-JOCHJYFZSA-N 416.521 5.410 0 1 HKAF O=C(O)COc1cc2c(c(Cl)c1Cl)C(=O)[C@H](C1CCCC1)[C@H]2c1ccccc1 169343404 ZUVBTDVFDCCLAE-ZWKOTPCHSA-N 419.304 5.591 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@H]1c1ccc(C2CCCCC2)cc1 169728418 KVLRGEGJGCSVSZ-ZEQRLZLVSA-N 407.554 5.725 0 1 HKAF COc1ccc(/C=C2\CCC[C@@H]3C2=Nc2ccccc2N=C3c2ccc(OC)cc2)cc1 169730636 MSQOQARQZJBFHE-XGMDJLNPSA-N 422.528 6.794 0 1 HKAF CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CCC4=C(C(=O)O[C@@H]4C)[C@@]3(C)[C@H](O)C[C@H]21 197330622 ZJHCKXNQASXDJG-HMWAWLJQSA-N 414.630 6.048 0 1 HKAF CCc1ccc([C@@H]2Nc3cc(Cl)ccc3C(=O)N2Cc2ccc(F)cc2)s1 206876478 QVXIKPMCEWWSJI-HXUWFJFHSA-N 400.906 5.870 0 1 HKAF COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(C[C@@H]2CCCC[C@H]2C)CC1 299857645 FSZQXBYUVRKUIV-AEFFLSMTSA-N 406.998 5.432 0 1 HKAF Cc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1Br 586993016 HEOWNZZTAUQOOH-UHFFFAOYSA-N 414.302 6.493 0 1 HKAF O=C(O)c1ccccc1SCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586993379 HKEMMPPVROVQRF-UHFFFAOYSA-N 413.454 5.142 0 1 HKAF COC(=O)c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2n1 587010921 JTYVJNKHBNLQFP-UHFFFAOYSA-N 421.503 5.512 0 1 HKAF CCOC(=O)c1cc(Br)c2nc(-c3cc4c(s3)CC[C@@H](C)C4)[nH]c2c1 587032836 BIVLEEPJNAIDCT-SNVBAGLBSA-N 419.344 5.355 0 1 HKAF COc1cc(/C=C\c2nc3c(C)cnc(Cl)c3[nH]2)cc(Cl)c1OCC(C)C 587047574 XXORBNGELGAIRX-WAYWQWQTSA-N 406.313 5.787 0 1 HKAF Cc1c(-c2ccc(Cl)c(Cl)c2O)nc2cccc3c2c1-c1ccccc1C3=O 587103126 DCQPKJRXHIOLMW-UHFFFAOYSA-N 406.268 6.434 0 1 HKAF FC(F)(F)c1cncc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 587115591 QQWHDYZNPSJBOW-UHFFFAOYSA-N 421.014 5.169 0 1 HKAF CCCCCOc1cc2nc(-c3cc(CO)ccc3F)[nH]c2cc1Br 587140597 OEGQBIMLJUABJP-UHFFFAOYSA-N 407.283 5.193 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Br)ncc3[nH]2)cc1F 587151647 SJEAZHUSBPSLBW-SFHVURJKSA-N 416.225 5.167 0 1 HKAF Fc1ccc(/C=C(\c2nc3c(Br)ccnc3[nH]2)c2cccs2)cc1 587163329 HUBQWPNBNBOVIY-RAXLEYEMSA-N 400.276 5.510 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587192500 UUJMZDNJVJKANI-KRWDZBQOSA-N 423.410 5.677 0 1 HKAF O=C(c1c(CO)oc2cc(Br)cnc12)C(c1ccccc1)c1ccccc1 587274463 WGUZXGDTHHQSRO-UHFFFAOYSA-N 422.278 5.097 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)Cc2cccc(OC)c2C3)c1 587363302 PXQQYQDLKONKEK-UHFFFAOYSA-N 407.469 6.160 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccccc1Oc1ccc(Cl)c(F)c1)[C@@H](C2)C3=O 587426414 NHXWNCRJKVEMNP-HJPURHCSSA-N 410.828 5.769 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C(C)(C)C)[nH]c3ccc(CC)cc13)CC2=O 587482400 ITZFORZJYHMVIK-JOCHJYFZSA-N 405.538 6.392 0 1 HKAF COc1c(Br)ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1F 587507414 PYOVJDWHVQXOMN-QGZVFWFLSA-N 405.263 5.182 0 1 HKAF CC[C@]1(C2CCN(C(=O)OC(C)(C)C)CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587514775 PEXFELZSXKLRID-RUZDIDTESA-N 413.558 5.327 0 1 HKAF Cc1cc2c(cc1[C@]1(C)CC(=O)c3ccc4c(c3O1)CCCC4)C(C)(C)[C@H](C)C2(C)C 587521769 GESHNMIBSOASHH-LBEKAKSKSA-N 416.605 6.959 0 1 HKAF O=C(O)c1ccc(COc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)o1 587529421 BZNCCLBOQRIZET-HSZRJFAPSA-N 418.445 5.142 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccccc1 587594261 NREPOUFMEMBTHD-SHQCIBLASA-N 424.452 5.674 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SC(F)(F)F)cc2)N1 587714762 AWFWXICSPGKFRW-XXFAHNHDSA-N 420.269 5.824 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCC(F)(F)F)c2)N1 587715976 ZACLQSXKLBVSJS-BTDLBPIBSA-N 418.228 5.153 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccs3)cc2F)N1 587725721 RTQSKKPBQLUPNM-PRWKNARSSA-N 420.322 6.079 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(F)c2)N1 587732358 MWNGLLHRXRGEED-JLCFBVMHSA-N 414.293 5.553 0 1 HKAF CCC[C@H](CC1(c2nc3cc(C)cc(C)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781773 NGZADSGQFCBVJR-JOCHJYFZSA-N 418.581 6.541 0 1 HKAF Cc1onc(-c2ccccc2)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587799536 ZUVZSBUGPUQHPK-LAJNKCICSA-N 415.306 5.349 0 1 HKAF CC(C)c1ccc2c(c1)[C@]1(CCCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587834877 NAZFLIMCCVARCS-PEBXRYMYSA-N 418.350 5.662 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(-c2ccc(Cl)cc2)no1 587861701 XJCPKJVOXJXNOH-UHFFFAOYSA-N 420.778 5.270 0 1 HKAF COc1cccc(-c2cc(O)cc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c2)c1 587933006 INECAXAXPVINTN-UHFFFAOYSA-N 400.356 5.510 0 1 HKAF CCCCCOc1cc2[nH]c(C(=O)CCc3ccccc3)nc2cc1Br 587953900 WPCRRMILVGSXAN-UHFFFAOYSA-N 415.331 5.710 0 1 HKAF FC(F)(F)Oc1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Cl 587955007 DWVDUJVZXZWNNX-INIZCTEOSA-N 416.830 6.490 0 1 HKAF COc1ccc2c(c1)[C@@](C[C@@H]1CCC[C@H]1C(=O)O)(c1ccc(C)cc1)N(C(C)C)CC2 962088357 FREFDHFUUTVPHZ-YEEURNOCSA-N 421.581 5.405 0 1 HKAF c1ccc(-c2ccc([C@H]3c4ccccc4C[C@H]4CN(c5ccccc5)CCN43)cn2)cc1 962634073 MAHUTAVXPFEBQY-WNJJXGMVSA-N 417.556 5.585 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1sc(Sc2ccccc2)nc1Cl 963110156 QOFWWGUAHDDAGF-QAPCUYQASA-N 416.974 6.197 0 1 HKAF Cc1ccc2nc(-c3ccc(F)cc3)c([C@@H]3c4c(F)cccc4C[C@H]4CCCN34)n2c1 963116434 WYAQULAOMYDSPQ-NLFFAJNJSA-N 415.487 5.698 0 1 HKAF CC(C)c1ccc([C@]2(c3ccc(F)c(F)c3)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963117632 XMLDDJDMVJBEDF-HOFKKMOUSA-N 421.506 6.540 0 1 HKAF COC(C)(C)/C=C/C[C@@]1(C)CCc2c(ccc3c2O[C@H](c2ccc(O)cc2)CC3=O)O1 1857573493 CQXGJOKWEWSLLJ-AZNBPZPGSA-N 422.521 5.554 0 1 HKAF O=C(Nc1ccc(F)c(-c2nc3cc(-c4cccc(F)c4)cnc3[nH]2)c1)N1CCCC1 1857574747 UWXSJOFUSOUODE-UHFFFAOYSA-N 419.435 5.198 0 1 HKAF Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1-c1ccnc(NC2CCCCC2)n1 1857651037 VRKUWSVFSJGRTF-UHFFFAOYSA-N 406.599 6.618 0 1 HKAF COc1ccc(CCC(=O)C[C@H](O)CCCCCCCc2ccccc2)cc1OC 2356408070 TVLKESAXHGDMCQ-HSZRJFAPSA-N 412.570 5.540 0 1 HKAF COC(C)(C)C=CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356628684 BGFFWNIGBDDDCN-LLHYTFRDSA-N 414.674 6.934 0 1 HKAF CC=C(C)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CC[C@H](C)CC(=O)O)[C@@](C)(O)CC[C@H]21 2356668893 FRGMVGYYKMAOOX-FADLVCPKSA-N 422.606 5.361 0 1 HKAF CCOc1cc2c(cc1OCC)C1=Cc3ccc(OCC)c(OCC)c3CN1CC2 2356822205 FTBNIZDDFNNICE-UHFFFAOYSA-N 409.526 5.151 0 1 HKAF N[C@H](Cc1ccc(Cl)cc1)c1csc(Nc2cc(Oc3ccccc3)ncn2)n1 61928515 WHNYKUZKGXEVTK-QGZVFWFLSA-N 423.929 5.365 0 3 HKAF Cc1cnc(C(=O)N(c2ccccc2)[C@@H](c2ccccc2)c2nc3ccccc3[nH]2)cn1 95571130 XQIPCVSALJPSOT-DEOSSOPVSA-N 419.488 5.098 0 3 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(C(F)(F)F)c1)Oc1ccccc1-3 3831950 CTCHAYJBEBAVDT-DEOSSOPVSA-N 421.462 7.462 0 1 HKAF CCCCCn1cc(C(=O)N[C@H](C)c2cccc3ccccc23)c(=O)c2ccccc21 13678345 IGHQDVQIAGRFQM-LJQANCHMSA-N 412.533 5.836 0 1 HKAF Cc1cc(-c2c(F)cc3c(=O)c(Cc4ccc[nH]4)cn(C4CC4)c3c2F)cc(C)n1 25975623 TWOUQJXXJCHCSE-UHFFFAOYSA-N 405.448 5.212 0 1 HKAF C[S@@](=O)c1ccc(CSc2nc(-c3ccc(F)cc3)c(-c3cccnc3)[nH]2)cc1 27525206 CGBAOUHMISZYID-LJAQVGFWSA-N 423.538 5.308 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 34951099 KZJWDPNRJALLNS-ZWXRXBFFSA-N 414.718 8.025 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3/C[C@@H](O)CC/C3=C\F)CCC[C@@]21C 38791702 GBYUWSOLZWQQPT-KQBPVQGJSA-N 402.638 7.916 0 1 HKAF Fc1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccc(Cl)cc2)cc1 40865176 IOUQCKSTQUVCIP-UHFFFAOYSA-N 404.794 6.563 0 1 HKAF CCCCCc1[nH]c2cc(OC)ccc2c1C(=O)c1cc(OC)c(OC)c(OC)c1 43122923 ZNAQHBIYRHNQTD-UHFFFAOYSA-N 411.498 5.166 0 1 HKAF C[C@@H](Oc1ccc2ncc(/C=C/C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl 45364172 OIOZTIQUNWLFQV-HVUAZKLTSA-N 405.256 5.319 0 1 HKAF COc1cccc([C@@H](C)NCc2ccc(Cl)c(-c3ccc(C(F)(F)F)cc3)c2)c1 58591406 DYTWTDGDADYCBL-OAHLLOKOSA-N 419.874 6.885 0 1 HKAF C/C(=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O)CC/C=C(\C)[C@H]1C[C@H](O)C(C)(C)O1 85546627 YHXSUSPTGLHIRR-BZXBUMGOSA-N 422.949 5.016 0 1 HKAF COc1ccc(Oc2c(Cl)cnn(Cc3ccc(F)c4ccccc34)c2=O)cc1 95597944 BHDRWJOOYIXFSS-UHFFFAOYSA-N 410.832 5.038 0 1 HKAF Cc1ccnc([C@@H](Cc2ccccc2)NC2=NC(C)(C)Cc3cc(Cl)ccc32)n1 95605269 FDQFWCLDQBSPQX-OAQYLSRUSA-N 404.945 5.093 0 1 HKAF Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1CCC(=O)O 103231080 VMKQFJOMSICOBS-AUSIDOKSSA-N 410.579 5.802 0 1 HKAF CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccc(F)cc3c2=O)cc1O 113733671 KKLLBONWZZOWDQ-UHFFFAOYSA-N 410.489 5.220 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]([C@@H]2CC=C3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO 140417190 VJIROURYFKDPDA-QZQBZXMDSA-N 418.662 5.930 0 1 HKAF O=c1cc(COc2ccccc2)n(C2CC2)cc1Oc1ccc(Cl)cc1Cl 141720325 GUJDUEJVAPUODO-UHFFFAOYSA-N 402.277 5.861 0 1 HKAF Cc1ccc(Oc2cn(Cc3ccccc3)c(COc3ccccc3)cc2=O)c(C)c1 141807581 CZQODOVBABRHKH-UHFFFAOYSA-N 411.501 5.885 0 1 HKAF CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)O 143090598 QJFAABXOMYWNGP-MZMPXXGTSA-N 419.610 5.559 0 1 HKAF c1cc2c(C3CCNCC3)c[nH]c2cc1Nc1ccc2c(C3CCNCC3)c[nH]c2c1 144966264 HGUMGKJPBZMKEE-UHFFFAOYSA-N 413.569 5.327 0 1 HKAF C[C@H](CCc1ccc(F)cc1)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CNCC1 169344081 HHTKRKGUAWUSKZ-IAGOWNOFSA-N 409.545 5.822 0 1 HKAF C/C=C\c1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2OCC)c1 224878888 PJKHPLDJDHQEAC-KMKOMSMNSA-N 400.478 5.623 0 1 HKAF CC[C@H]1C[C@@H]2NC(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]3[C@H]12 253690311 MASOXJRADXYGSF-COZTVDIZSA-N 415.706 7.222 0 1 HKAF CC[C@H]1C[C@@H]2NC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]3[C@H](C)CCCC(C)C)[C@H]12 253690317 MASOXJRADXYGSF-SCLMKZADSA-N 415.706 7.222 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O 261496196 HHVQPBXBALLUDF-HNTAYUPXSA-N 418.662 5.618 0 1 HKAF endogenous,in-man CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cccc4ccccc34)ccc21)C(=O)O 299831116 AFTDNGSNOSIHDJ-QHCPKHFHSA-N 414.505 5.077 0 1 HKAF O=C1CCC(c2ccccc2)(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CC1 586877571 DZVLNLKABPIUOS-UHFFFAOYSA-N 423.541 6.269 0 1 HKAF CCCCOc1cc2nc(-c3c(CC)oc4ccccc34)[nH]c2cc1Br 586904748 ZDESALPAZJFRAK-UHFFFAOYSA-N 413.315 6.480 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586916208 LENCWIGOIFAANN-BFUOFWGJSA-N 408.807 5.452 0 1 HKAF Cc1c(Br)cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1C 587007132 XYAFGDJHYNNJCS-UHFFFAOYSA-N 419.120 5.624 0 1 HKAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cccc(Cl)c3[nH]2)c1 587049162 PQNKGRDUJSFDRI-KTKRTIGZSA-N 417.296 5.260 0 1 HKAF Clc1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2n1 587065090 ZAYYWHFTUPOMKP-UHFFFAOYSA-N 423.303 5.965 0 1 HKAF Cc1cc2nc(-c3c(C)cccc3-c3ccc(Cl)cc3)[nH]c2cc1Br 587074608 YEMHMZHYEDOKRM-UHFFFAOYSA-N 411.730 6.930 0 1 HKAF Fc1c(Br)cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2c1F 587084088 VAIBMJBQCSFZCA-UHFFFAOYSA-N 420.644 5.986 0 1 HKAF Cc1ccc(Cc2nc3c(Cl)c(Br)cnc3[nH]2)cc1C(F)(F)F 587095199 RSSMWUWMFNHBQS-UHFFFAOYSA-N 404.617 5.292 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cccc(Br)c3O)nc3cccc1c23 587100797 AJXHFENVNSHDOK-UHFFFAOYSA-N 402.247 5.581 0 1 HKAF Cc1cc(Br)cc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 587163378 ILYGRQGVZRDJFS-MHWRWJLKSA-N 413.315 6.423 0 1 HKAF Fc1nc(Cl)ccc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587177414 IHPNPULMTZOYQL-UHFFFAOYSA-N 410.552 5.079 0 1 HKAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc4ccccc4cc3[nH]2)c(C2CC2)n1 587231716 FSIHESVWBDIWHW-UHFFFAOYSA-N 414.509 5.680 0 1 HKAF C[C@]1(c2ccc(Cl)nc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327494 GTBZYGDRBUADNY-GHTZIAJQSA-N 418.251 5.507 0 1 HKAF C[C@@]1(c2ccccc2CCCCF)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333936 OEIOUVROTCUALW-RSXGOPAZSA-N 422.471 6.098 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](c2ccccc2)C3)c1 587367444 QNUXQEANTRHGIU-IBGZPJMESA-N 405.497 6.929 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCc3c(Cl)cc(Br)cc31)CC2=O 587458783 UINWXSLOAVGNNH-HXUWFJFHSA-N 421.718 5.568 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)cc(Cl)cc1Br)CC2=O 587468967 ZTDZDWJBRYBVJW-MRXNPFEDSA-N 413.670 5.606 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(CC)c3ccccc3)cc1)CC2=O 587469928 QEJPFANOVYUGOT-RUZDIDTESA-N 401.506 6.209 0 1 HKAF O=C1C[C@@H](c2ccc(C(F)(F)F)cc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587510774 YFXWWGMRRABZBM-SFHVURJKSA-N 414.345 6.310 0 1 HKAF COc1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1OC 587521178 BFVDAHROFUUISU-VWLOTQADSA-N 414.501 5.956 0 1 HKAF O=C1C[C@](c2ccccc2)(c2ccc3ccccc3c2)Oc2c1ccc1c2CCCC1 587524536 OHNZDOOLTKATFZ-LJAQVGFWSA-N 404.509 6.628 0 1 HKAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1Cl 587541135 DDMDPZUPIVUHBH-HRAATJIYSA-N 401.245 5.710 0 1 HKAF C[C@]1(c2cccc(C3CCC3)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587566698 ANFDJECTENZECR-PXDATVDWSA-N 404.437 5.676 0 1 HKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc2c1OC(C)(C)C2 587616191 JBUMTCYYIPIWQX-GBXCKJPGSA-N 402.446 5.117 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3ccc(Cl)cc3Cl)[nH]c12 587624254 HVZOKSBFOALVFS-UHFFFAOYSA-N 406.618 6.849 0 1 HKAF CCOC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1cccc(C(F)(F)F)c1 587630369 ZMBNOAVMTRIDDA-UHFFFAOYSA-N 413.754 5.387 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccco2)N1 587700099 LQMOADNFGRUFBZ-ODXCJYRJSA-N 420.709 5.661 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(C(F)(F)F)N1 587712162 ZSGVPUXRDUPNTA-FVMDXXJSSA-N 422.647 5.582 0 1 HKAF Cc1cc(OC(F)(F)F)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587718535 IOOIOZUGWTWYMW-DYZYQPBXSA-N 418.228 5.419 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)c(Cl)cc2F)N1 587720476 RSCRDCJNOOJFNS-RBHXEPJQSA-N 404.657 5.318 0 1 HKAF CC[C@@]1(c2c(F)cc(F)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587721176 PBCMUVJXXCMLKJ-NIVTXAMTSA-N 402.229 5.193 0 1 HKAF CCc1nc2cccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2o1 587777145 FLCKZZWTIJUAIQ-YBTHPKLGSA-N 403.295 5.090 0 1 HKAF CCOc1cccc2cc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)oc12 587832197 ZKCNWTUKJODWJN-GTJPDFRWSA-N 418.306 5.531 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1ccc(O)cc12 587835735 XVANADWSCQRUGK-VERVWZFWSA-N 410.286 5.100 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2c(s1)CCC2 587867352 XCABUAPZVZBODC-UHFFFAOYSA-N 406.429 5.206 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2c(Br)cccc2s1 587872970 UNQSLSICBPGUCT-UHFFFAOYSA-N 418.291 5.449 0 1 HKAF Cc1ccc(OCc2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)cc2)cc1C 587874235 YQTRUVDTPMAIGK-UHFFFAOYSA-N 414.436 5.679 0 1 HKAF CCCNc1cc(OCC)c(Br)cc1-n1c(OCC)ccc1OCC 587935999 IQJQNGYQSYMYOK-UHFFFAOYSA-N 411.340 5.258 0 1 HKAF Oc1cc(C2CCCCC2)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 587944413 BQHGNSYGOWGOOL-UHFFFAOYSA-N 419.500 5.532 0 1 HKAF Cc1c(Br)ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587949252 CUPYCGJUGIKGPQ-KAMYIIQDSA-N 405.295 6.597 0 1 HKAF CC[C@]1(Cc2nc3ccc(Br)c(F)c3[nH]2)CC(=O)c2ccccc2C1 587959115 CSMMKMRVZZLRGO-HXUWFJFHSA-N 401.279 5.233 0 1 HKAF CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@H]2CC[C@@H]2[C@@H]([C@]3(C)CCC(=O)O3)CC[C@@]21C 685935541 NOLGXQBEFHYZHI-OUSUKITPSA-N 414.630 6.336 0 1 HKAF biogenic,in-vitro COc1ccc2c(c1)[C@](c1ccccc1)([C@](C)(O)c1ccccc1)N(C(C)C)CC2 962088471 HRZMELONAUPTDC-KAYWLYCHSA-N 401.550 5.113 0 1 HKAF COc1ccc2c(c1OC)[C@@](C)(c1ccc(SC3CCCC3)cc1)N(C)[C@@H](C)C2 962617101 BRLXPZUDCMYDDJ-SSOJOUAXSA-N 411.611 5.878 0 1 HKAF C[C@@]1(c2cc3cc(F)ccc3o2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962647994 VYVSLIBSBKWFKX-KCWPFWIISA-N 412.508 5.582 0 1 HKAF C[C@@]1(c2ccc(SC(F)F)cc2)c2ccsc2CCN1Cc1cccnc1 962996767 PHSFZWPOTXXADW-OAQYLSRUSA-N 402.535 5.780 0 1 HKAF Cc1cccc(CC[C@@]2(c3ccc(F)c(Cl)c3)NCCc3c2sc(C)c3C)c1 963004319 BXZLZFGHMDZXDM-DEOSSOPVSA-N 413.989 6.488 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cccc(OC)c1OCc1cccc(F)c1 963233973 DPPWRJOEFOQAAO-SIBVEZHUSA-N 419.540 6.159 0 1 HKAF COC(=O)C=CC(C)=CC(C)=C[C@@H]1C(C[C@H](C)O)=C(C)C=C2C[C@H](C)C(=O)[C@@H](C)[C@H]21 2356334259 CJDQRZHRJWJAGG-ZTYPECNKSA-N 412.570 5.113 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C 2356396711 UKPIEUQYETXRKP-JCLHYDFLSA-N 418.662 5.330 0 1 HKAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2[C@H](OC(=O)C(C)C)[C@@H]2C(=O)CC[C@H](C)[C@]12C 2356446170 ZWZYJBYNCRIMLI-AKHRGJIVSA-N 416.514 5.014 0 1 HKAF CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC(CO)CO 2356563813 NHNGEAQTTQPSCX-UHFFFAOYSA-N 402.575 5.361 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C=C[C@@H]4C[C@H](O)CC[C@@]4(C)C3=CC[C@@]12C)C(C)C 2356704583 ZFRLPKWDPDXIMP-RQIDPIAKSA-N 410.686 7.577 0 1 HKAF Cc1cccc(-c2nc(CN3CCC[C@H](C(=O)NC4CCCCCC4)C3)c(C)o2)c1 4101855 OZPGNDYAYQWBDW-NRFANRHFSA-N 409.574 5.009 0 3 HKAF CC(C)[C@H](C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)cc1F 2480210 SWBHGTVPLJZDTR-LBPRGKRZSA-N 404.844 5.715 0 1 HKAF CN(C)CCOc1ccc([C@H](c2ccccc2)c2ccc(Cl)cc2)c2ccccc12 28955533 WHSHHSCFXNQAER-HHHXNRCGSA-N 415.964 6.614 0 1 HKAF CCCCCC(=O)CCCCCCCCCCNc1ccc(C(=O)OCC)cc1 29214382 KIYUCFHVASHLJW-UHFFFAOYSA-N 403.607 6.936 0 1 HKAF CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccc(Cl)cc1 36294627 GBQKSTSSOVRZFN-UHFFFAOYSA-N 401.937 7.383 0 1 HKAF in-vivo NC[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 36324329 STJZDPGWBPFLGF-SNRMKQJTSA-N 417.393 5.762 0 1 HKAF CC(C)=CCN1C(=O)[C@@]2(CC(C)=C[C@@H](COCc3ccccc3)O2)c2ccccc21 36381968 AZCIOMNUCSHJQR-BKMJKUGQSA-N 403.522 5.147 0 1 HKAF CC(C)Cc1ccc([C@@H](C)c2nnc(COc3ccc(-c4ccccc4)cc3)o2)cc1 40861052 YTMUDZQCIWMQHD-HXUWFJFHSA-N 412.533 6.666 0 1 HKAF CCCCc1c(C)nc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)nc1C 40973273 IQSQIYKHMNUXGZ-SFHVURJKSA-N 410.370 5.521 0 1 HKAF O=C(NCC1CC1)C1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 45301652 RGNBZDUMHIBMDX-UHFFFAOYSA-N 417.380 5.321 0 1 HKAF COc1c(C)c(C)c2c(c1C)C=C[C@](C)(COCc1cc(-c3ccc(O)cc3)no1)O2 72114119 YVNUJMFSFOSYDA-RUZDIDTESA-N 421.493 5.362 0 1 HKAF COc1ccc(CN2CCC3(CCc4ccccc43)CC2)cc1OCc1ccccc1 84739674 AWVRTGGPLVJBDL-UHFFFAOYSA-N 413.561 5.754 0 1 HKAF CSc1ccc(-c2ccc(/C=C(/C(=O)O)c3ccc(S(C)(=O)=O)cc3)cc2)cc1 95592936 SQCASCCDLUCRTJ-PXLXIMEGSA-N 424.543 5.104 0 1 HKAF O[C@@H](c1ccc(-c2ccccc2F)cc1)c1cc2cc(-c3ccccc3F)ccc2o1 103192452 XOTBISYGTAMUJA-MHZLTWQESA-N 412.435 7.127 0 1 HKAF COc1ccc(-c2sc(N)c(C(=O)c3ccc(Cl)cc3)c2CC(C)(C)C)cc1 103228505 IAANQOOHGOOIIZ-UHFFFAOYSA-N 413.970 6.479 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2csc(C)n2)c1 103258145 NJMICVQAQQXLQH-FQEVSTJZSA-N 422.550 5.390 0 1 HKAF CC(C)Nc1ccc(-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)cc1Cl 114489965 XEWUTRVIUVZVMS-UHFFFAOYSA-N 408.855 5.841 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 255275288 WEQPLVIAFBLKRQ-IQMNOLLQSA-N 416.690 6.894 0 1 HKAF O=C(Nc1cccc(F)c1)Nc1cc2ncncc2cc1OCc1ccc(F)cc1 299835437 VYIMLNYAVWUADF-UHFFFAOYSA-N 406.392 5.131 0 1 HKAF CCC[C@@H](C)Oc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 473128119 YLYKMPWESPGEQV-BEFAXECRSA-N 411.542 5.032 0 1 HKAF Clc1ccc2c(Nc3ccc4oc(=NCCc5ccccn5)[nH]c4c3)ccnc2c1 474603643 CRMXAVACRQOHCK-UHFFFAOYSA-N 415.884 5.245 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@@H](NC(=O)OC(C)(C)C)CCC4)-c1ccccc1C2=O 586995438 GZQKCAJNOFSGHW-IBGZPJMESA-N 414.505 5.657 0 1 HKAF CC(C)(C)c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 587026106 KEIIWNITCDIXEG-WMQCIHAUSA-N 421.610 5.997 0 1 HKAF COc1cc(OC)c2[nH]c([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc2c1 587072267 PYMGVTKAZNTHRJ-WTAPAWHGSA-N 417.336 6.253 0 1 HKAF O=C(CCCc1nc2cc(Br)cc(Cl)c2[nH]1)c1ccc(Cl)cn1 587082271 MOHCLMQDVNGKQY-UHFFFAOYSA-N 413.102 5.233 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc2c1 587111240 BPSJKXPAXWZSDH-UHFFFAOYSA-N 405.763 5.237 0 1 HKAF CC(C)(C)c1ccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2c1 587141601 WPYZGNDLVOWWFE-UHFFFAOYSA-N 408.517 7.098 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Cl)c(Cl)cc3[nH]2)c(Cl)c1 587159053 LRJPIEZZHSMDNO-IBGZPJMESA-N 421.686 6.831 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 587159533 QQLWFITXHVIICA-UHFFFAOYSA-N 402.803 5.900 0 1 HKAF Fc1c(Br)ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 587232385 SJWQEKKKCIKIQH-UHFFFAOYSA-N 400.251 5.014 0 1 HKAF CC(C)COc1cc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c2cc1Br 587244657 QRMPRUHBVDRZMQ-CMDGGOBGSA-N 414.303 5.012 0 1 HKAF O=C1c2ccc(O)cc2OC2(CCCCCCCCCCC2)[C@H]1c1ccc(F)cc1 587351367 JPQPYJAWLQMEHX-DEOSSOPVSA-N 410.529 6.934 0 1 HKAF CC(C)Oc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587353395 YVPQEDHRHMYRPO-ZCYQVOJMSA-N 406.453 5.593 0 1 HKAF CC(=O)N(c1ccc(C)c(C)c1)c1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1 587413460 OHZKVRLDCIHFET-OAQYLSRUSA-N 421.522 5.042 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(C(C)(C)C)[nH]c4ccc(C(C)(C)C)cc14)[C@@H](C2)C3=O 587439070 URNPRHHMSXMGGU-UUOWRZLLSA-N 417.549 6.260 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(OC)ccc1OC)CC2=O 587476804 GCWGSNFMGLZQRG-SANMLTNESA-N 418.489 5.271 0 1 HKAF O=C1C[C@H](c2c(Cl)cccc2Oc2ccccc2)Oc2c1ccc1c2CCCC1 587508807 TYUOMOZLGFJPLQ-HSZRJFAPSA-N 404.893 6.718 0 1 HKAF COC(=O)c1cccc(-c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587523526 JSKQCMDYACRNSY-VWLOTQADSA-N 412.485 5.726 0 1 HKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)/C(=C\c1ccccc1)Oc1cc(O)ccc12 587532087 MVFGXQNDJYWCDQ-LXYLXTGBSA-N 410.469 5.565 0 1 HKAF CCCCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599526 GKAOVJBILWEKCO-ZEQKJWHPSA-N 402.490 6.220 0 1 HKAF O=Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 587602339 JIESEOOFWIYLDT-SQHAQQRYSA-N 422.436 5.575 0 1 HKAF CC(C)(C)OC(=O)N1CCC(c2[nH]c3cc(F)ccc3c2C(=O)c2ccccc2)CC1 587637121 VMXWRQOUHSYBLK-UHFFFAOYSA-N 422.500 5.653 0 1 HKAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Br 587676027 DSMDZTYAGRPKAI-QGHHPUGFSA-N 413.128 5.283 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(Br)c2)N1 587683310 WOZFHPJGSFLLDP-BTDLBPIBSA-N 413.128 5.148 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)cc2C(F)(F)F)N1 587709746 CLCINOBVLYRSFU-XYZCENFISA-N 418.228 5.110 0 1 HKAF Cc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587711982 YXWUBYPFZKKZJE-DYZYQPBXSA-N 420.219 5.376 0 1 HKAF Cc1cc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(-n2cccn2)c1 587757662 HHRITUDVGXIUGJ-SZNDQCEHSA-N 414.322 5.014 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2N2CCCCCC2)N1 587767203 QVFKZUYBBGOASH-FQELHTAISA-N 409.387 5.136 0 1 HKAF COc1ccc2c(c1)[C@H](C)[C@@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810060 SIRHWGHFOLSBEW-OYMPBJRDSA-N 404.323 5.076 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)CCC3)(C(C)(C)C)N1 587810149 BZQNQRSHPJYXAE-PSLXWICFSA-N 416.378 5.901 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3nccs3)c2)N1 587852391 GCJHDGKTHKMLMN-VOJFVSQTSA-N 403.320 5.335 0 1 HKAF Cc1ccccc1-c1ccc(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 587960353 ZWUPSNYYPMGAJM-UHFFFAOYSA-N 417.381 6.178 0 1 HKAF c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@@]3(CC3CCCC3)c3ccccc3)C2)cc1 962640513 QWZSGUYFDLFZLW-MFMCTBQISA-N 422.616 6.257 0 1 HKAF COc1ccc2c(c1OC)[C@@](c1cccc(C(F)(F)F)c1)(C(C)C)N(C)[C@H](C)C2 962640558 WVUPHVCPFPEKMG-QRQCRPRQSA-N 407.476 5.499 0 1 HKAF Cc1cccc([C@@]2(c3ccccc3C)c3cccc(F)c3CCN2[C@H]2CCSC2)n1 962716927 UFUADERZNNRIJB-RXFWQSSRSA-N 418.581 5.493 0 1 HKAF C[C@H](NC(=O)c1ccccc1)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857621979 NOVUBZJSKIJHDS-QQGXFTMUSA-N 421.625 5.745 0 1 HKAF COc1ccc([C@H]2CC(=O)c3c(OC)c(Cl)c(OC)c(Cl)c3O2)cc1Cl 2356284090 NOFLAMAMSCCPHR-GFCCVEGCSA-N 417.672 5.379 0 1 HKAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2[C@H](OC(=O)C(C)=CC)CC[C@H](C)[C@]12C 2356438621 MZACYIUHAUITMT-WWMAMLDRSA-N 414.542 5.625 0 1 HKAF CC(C)=CCC[C@](C)(O)[C@@H](O)CCC(C)=CCCC(C)=CCc1c[nH]c2ccccc12 2356442813 QSCZFXVTYWFEJV-NSOVKSMOSA-N 423.641 7.022 0 1 HKAF CCC=CCC=CCC=CCC=CCC=CCCCC(=O)c1c(O)cc(O)cc1O 2356474938 JGENOJYUFVSJRO-UHFFFAOYSA-N 410.554 6.908 0 1 HKAF CC1=C(C[C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H]1C(C)C 2356580071 KRCHOIMKMJBPQW-IEHUIJOPSA-N 412.702 7.635 0 1 HKAF CC(=CCCC[C@H](C)C=C1OC(=O)C(C)=C1O)CCc1coc(Cc2ccoc2)c1 2356703411 AXEKDYZDPHMMNX-SFHVURJKSA-N 410.510 6.421 0 1 HKAF Cc1cc(=O)c2c(o1)O[C@]1(C)CC[C@@H]3[C@](C)(CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]43C)[C@H]1C2 2356717366 PSHUZQHBLAPAMD-XTTUVGGNSA-N 414.586 5.272 0 1 HKAF CC1(C)CCC[C@@]2(C)[C@H]3CCC4=CN(CCS(=O)(=O)O)C=C[C]4[C@@]3(C)CC[C@H]12 2356849053 DKETWRMWEHPURL-IRMYBRCSSA-N 406.612 5.205 0 1 HKAF Cc1ccc(CNC(=O)[C@]2(C)CCC[C@]3(C)[C@@H]2CC[C@@]24CC(=O)[C@@](C)(CC[C@@H]32)C4)cc1 61959357 SCGLVFUCAHFLMI-PUCDVXMCSA-N 421.625 5.983 0 3 HKAF Cn1c(Nc2ccccc2)nc2cnc(Nc3cc(C(F)(F)F)ccc3F)cc21 205225467 UBARYDVDAIATIL-UHFFFAOYSA-N 401.367 5.613 0 3 HKAF O=C(NC1CCCC1)c1c(-c2ccccc2F)noc1-c1ccc(F)cc1Cl 775006 QHTPLNSZFGCHRX-UHFFFAOYSA-N 402.828 5.613 0 1 HKAF COC(=O)c1c(-c2ccc(Cl)cc2)cc2c3ccccc3n(C)c2c1C(=O)OC 1658392 BQQQHOORWHHFIG-UHFFFAOYSA-N 407.853 5.225 0 1 HKAF CC[C@H](C)C(=O)c1c(O)c2c(c3c(-c4ccccc4)cc(=O)oc13)OC(C)(C)C=C2 13382694 MIXHWJJKSJFGCZ-AWEZNQCLSA-N 404.462 5.579 0 1 HKAF biogenic CCc1nc2c(-c3ccc(Cl)cc3C(F)(F)F)nccc2n1[C@@H](CC)C1CC1 13479643 NZCYMEFNWDGBRN-INIZCTEOSA-N 407.867 6.694 0 1 HKAF Cc1ccc(-c2c(NC(=O)Nc3ccc(F)cc3F)cnc3ccc(Cl)cc23)cc1 13737638 HSMHDSNPKKSRFU-UHFFFAOYSA-N 423.850 6.786 0 1 HKAF O=C1OCc2c1cc1cc(OCc3ccc4ccccc4n3)ccc1c2-c1ccccc1 26181051 DEMHJSQHAOGBMN-UHFFFAOYSA-N 417.464 6.304 0 1 HKAF C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)CCc1ccccc1 28392598 HEWIVYFAXYIWTQ-STXQHDJLSA-N 416.540 5.751 0 1 HKAF COc1ccccc1-c1nc(C(=O)NC2CCCCC2)cn1-c1ccc(Cl)cc1 28702475 SBWLSJCDKBFFDV-UHFFFAOYSA-N 409.917 5.264 0 1 HKAF in-vitro COC(=O)[C@@H]1[C@@H]2CC[C@@H]3CC[C@H]1/C(=C/c1ccc(-c4ccc(C)s4)cc1)CN2C3 36270903 WNGKSXJKUCQJJD-ONDFXDFYSA-N 407.579 5.400 0 1 HKAF CCc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 38969783 ABWPTSQSOHEFDW-UHFFFAOYSA-N 413.905 6.369 0 1 HKAF in-vitro CC(C)CNC(=O)/C=C/[C@H]1C[C@H]1[C@H]1C[C@H]1[C@H]1C[C@H]1[C@H]1C[C@H]1[C@H]1C[C@H]1/C=C/[C@H]1C[C@H]1C 40748811 SZYJBOHZBFNTMP-FIAZKPFASA-N 407.642 5.708 0 1 HKAF in-vitro CC(C)c1nccn1C[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 45389303 NGOKTPCVOHAXIR-CQSZACIVSA-N 417.353 5.326 0 1 HKAF CN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC12CCCCC2 58627878 KDDUICUDCSCLSK-LADGPHEKSA-N 412.980 6.006 0 1 HKAF Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2c2nc(Cl)cc(Cl)n2)cc1 64391040 RVTFCPDGIABXML-OAQYLSRUSA-N 409.320 5.725 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC/C=C\C/C=C\C/C=C\C/C=C\CC 85617192 QBQCAYTWEQRERN-VHUCEKMMSA-N 418.709 10.323 0 1 HKAF CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1cccc(OCc2ccccc2)c1 89455542 ZGEZSQZWOXTZEK-QRVIBDJDSA-N 400.449 6.207 0 1 HKAF CC(C)c1cc(C(C)C)c([P@]2(=O)C[C@H]3C(Cl)(Cl)[C@]3(C)C2)c(C(C)C)c1 102941473 PKOMNWPTRSMZCM-BSWQBHCVSA-N 401.358 6.869 0 1 HKAF Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCN 103231090 ZUQDFZDASKMBBY-DENIHFKCSA-N 411.611 5.512 0 1 HKAF OC1=C2C(=Nc3c(ccc4ncccc34)[C@H]2c2cccc(O)c2)C[C@H](c2ccccc2)C1 104052465 UBLHFOLGJWTXGU-AFMDSPMNSA-N 418.496 6.548 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 118937283 CIBAPVLFORANSS-SJZQINDMSA-N 414.630 6.002 0 1 HKAF endogenous,in-man CC1(C)CC=C(c2cc(C3(O)CCCCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1 141211171 LGYJKZIIDQSXGH-UHFFFAOYSA-N 418.541 5.279 0 1 HKAF O=C(c1ccc(Oc2ncccc2Br)cc1)c1nc2ccccc2s1 143514404 XQKRAHFJVXMWPR-UHFFFAOYSA-N 411.280 5.477 0 1 HKAF Cc1cc(C(=O)O)c2nc(-c3ccc(-c4cnn(Cc5ccccc5)c4)cc3)[nH]c2c1 144710289 UUXRJPDNINDNFO-UHFFFAOYSA-N 408.461 5.148 0 1 HKAF COc1cc(N[C@@H](C)CCCNC(=O)/C=C/c2ccc(Cl)cc2)c2ncccc2c1 169327379 JCXQABMFCLRWKE-KQPPXVQYSA-N 423.944 5.307 0 1 HKAF Cc1cccc(/C=C\C(=O)NC2CCC(N3CCC(c4ccccc4C)CC3)CC2)c1 206763198 PVLYEOBVQHCYIT-GDNBJRDFSA-N 416.609 5.624 0 1 HKAF C=Cc1ccc(-c2nc3c(C(=O)Nc4ccc(C(F)(F)F)cc4)cccc3[nH]2)cc1 586882219 WJEUKIBHAIXPLE-UHFFFAOYSA-N 407.395 6.144 0 1 HKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cccc(C(F)(F)F)c2[nH]1 587035060 TVSXVQHFCXVIGS-OAHLLOKOSA-N 417.456 6.068 0 1 HKAF COc1cc(/C=C/c2nc3ccc(C(=O)O)cc3[nH]2)cc(Cl)c1OCC(C)C 587046535 INIBRQFATKGUBJ-QPJJXVBHSA-N 400.862 5.128 0 1 HKAF C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(O)cc2[nH]1 587054940 NIMBUTFSFTZJLW-GFCCVEGCSA-N 415.276 6.508 0 1 HKAF Cc1cc(Br)c2nc(-c3cccn3-c3ccc(Cl)cc3C)[nH]c2c1 587066042 FMXCBJKKNWJSAE-UHFFFAOYSA-N 400.707 6.053 0 1 HKAF FC(F)(F)c1c(Br)ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587081124 STEQHGTWEONZKW-GFCCVEGCSA-N 417.612 5.674 0 1 HKAF COc1ccc([C@@H]2CCc3nc4c(C)ccc5c4c(c3C2)-c2ccccc2C5=O)cc1 587097897 OUCBJRDGIJPEJZ-GOSISDBHSA-N 405.497 6.036 0 1 HKAF Fc1cc(C(F)(F)F)c2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc2c1 587128334 JWTKQMMXFGUZCX-UHFFFAOYSA-N 413.346 6.449 0 1 HKAF Nc1ncc(-c2cccc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c2)cn1 587254498 KAWBDHRYSDWENR-UHFFFAOYSA-N 420.501 5.546 0 1 HKAF Cc1ccc(Cl)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1F 587337354 VIMSTKDTYQWODE-XXBNENTESA-N 414.835 5.907 0 1 HKAF COc1cccc(-c2cc(-c3cc(F)c(F)c(F)c3)nc3c2oc2ccccc23)c1 587360403 NSQBRTGGWRVDRI-UHFFFAOYSA-N 405.375 6.741 0 1 HKAF COc1cccc(-c2c(C)c(-c3c(O)cc(O)cc3O)nc3c2oc2ccccc23)c1 587366218 MUSHPPAAQUGVHA-UHFFFAOYSA-N 413.429 5.749 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)CCO3)(c1ccccc1Cl)O2 587379358 UETVEQIFCYXKIP-XMMPIXPASA-N 405.881 5.075 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O 587421635 VNZAFVUHOUTDAB-LHSJRXKWSA-N 400.261 5.281 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1Sc1ccc(Cl)cc1)CC2=O 587489074 ARJKARLJHHTYJT-QFIPXVFZSA-N 424.949 6.856 0 1 HKAF Cc1ccc(Cn2nc(C)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 587516446 SUJZXKMYJWWBNC-DEOSSOPVSA-N 400.522 5.442 0 1 HKAF CCOC(=O)[C@@H](Cc1cccc(C)c1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525654 QSLSHQBSOIGMQU-GJZUVCINSA-N 406.522 5.020 0 1 HKAF CC(C)C[C@]1(Cc2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546070 HYHGYWGNGTTXEH-RCZVLFRGSA-N 422.908 6.035 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCOc1c(Cl)cccc12 587554462 XUMCXEJQZKAYGO-AUSIDOKSSA-N 408.837 5.075 0 1 HKAF CCc1ccc(-c2n[nH]cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587589023 MPBRQWKSBKTJCI-SQJMNOBHSA-N 412.445 5.048 0 1 HKAF COC(=O)CCCCCCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592727 JUXMPEPDOTZNDZ-SIKLNZKXSA-N 412.482 5.016 0 1 HKAF CCOc1ccc(C(C)C)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594361 GYOUFRXHANNLIW-RDGATRHJSA-N 404.462 5.617 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccccn3)c(-c3cccnc3)[nH]c2c1 587627633 GHGRQBBEYMKKHS-UHFFFAOYSA-N 407.317 6.330 0 1 HKAF CCc1ccc2nc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)sc2c1 587657507 WREKBEIVNSBLDU-UHFFFAOYSA-N 419.456 5.503 0 1 HKAF Cc1c(F)cccc1-c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587714772 BKNFQXPULGWVCE-WIUDPPPLSA-N 418.281 5.919 0 1 HKAF Cc1cccc(-n2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1C 587751658 AIPFFVHBQLTWOZ-RCDICMHDSA-N 413.334 5.619 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccccc1N(C)c1ccccc12 587770412 QHUYNXNUIGHBKR-CQSZACIVSA-N 423.329 5.496 0 1 HKAF CCCOc1ccc2[nH]cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587802835 NWSVCIRIIZFWTJ-XUSGNXJCSA-N 417.322 5.482 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2cccs2)N1 587857092 ZPNIBWMIHHZZDM-MPBGBICISA-N 402.332 5.940 0 1 HKAF COc1cccc([C@H](C)Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 587930400 HSVYKVLMDWGYRM-SNVBAGLBSA-N 413.237 5.699 0 1 HKAF COc1ccc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)c2c(OC)cccc12 961617856 XHHNERMYWMEBOS-QFIPXVFZSA-N 424.338 5.387 0 1 HKAF COc1ccc2cc(-c3cccc4cc(CNCCCC(=O)O)sc34)ccc2c1 1772574555 WWKMFVBIOIHLKZ-UHFFFAOYSA-N 405.519 5.685 0 1 HKAF CCN(CC)CCCCCOc1ccc(/C=C/C(=O)Nc2ccccc2)cc1OC 1772594392 ZCCVLZJUIKJUDQ-BMRADRMJSA-N 410.558 5.238 0 1 HKAF COc1cc(/C=C/c2ccc(NC(=O)/C=C/c3cccc(F)c3)cc2)cc(OC)c1 1772621537 REQBZPKBPLUFSA-FCXQYMQBSA-N 403.453 5.665 0 1 HKAF Cc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3)Oc3cc4c(c(N)c32)CCCC4)cc1 1772656164 GTSLBFWFRUIUIH-QFIPXVFZSA-N 407.517 6.132 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1[C@H](O)CC[C@]2(C)[C@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@H]12 2356511700 MGNWMLGIVDEXBR-VUCOFNPCSA-N 414.674 7.145 0 1 HKAF CC=C(C)[C@H](O)[C@H](C)C=C(C)C=CC[C@@H](C)C=Cc1oc(OC)c(C)c(=O)c1C 2356513048 PIYNCLUPGLBENL-HFXUHXBXSA-N 400.559 5.770 0 1 HKAF CC=C(C)[C@H](O)[C@@H](C)C=C(C)C=CC[C@@H](C)C=Cc1oc(OC)c(C)c(=O)c1C 2356513049 PIYNCLUPGLBENL-ICPLQIHGSA-N 400.559 5.770 0 1 HKAF COC(=O)[C@H](C)CC[C@H]1C(C)=C(C)CC[C@@]1(C)COc1ccc2ccc(=O)oc2c1 2356787550 VEPJENAVBBECGU-SAQVGAHLSA-N 412.526 5.514 0 1 HKAF COc1ccccc1-c1cc2c(Nc3ccc(OC(F)(F)F)cc3)nccc2n1C 82082627 RPJZEERZBORXAR-UHFFFAOYSA-N 413.399 5.891 0 3 HKAF O=C(Nc1ccccc1C(F)(F)F)O[C@H]1CCC12CCC(c1ccccc1)CC2 96019233 QICXHNAMMUENKT-DHHCDUQHSA-N 403.444 6.761 0 3 HKAF COc1cc(Cn2c3ccccc3c3cc(C)cc(OC)c32)cc2c1[nH]c1ccccc12 1634356 BWIDIGNNLPIYNM-UHFFFAOYSA-N 420.512 6.803 0 1 HKAF biogenic O=[P@]1(Oc2ccccc2)[C@@H](c2ccccc2)C(c2ccccc2)=NN1c1ccccc1 5810524 KLAWGOKDMUSYCT-HVNZXBJASA-N 424.440 6.924 0 1 HKAF O=C(O)COc1cccc(OCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 13727399 QFSHRPQGFWXNPI-UHFFFAOYSA-N 401.418 5.051 0 1 HKAF CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2)c2cc(Cl)ccc21 28233499 QMWNDDGZWIQCAV-JOCHJYFZSA-N 413.908 5.246 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)c1nc2ncccc2o1 28466995 DHIDQCCQFGXPGP-DOFZRALJSA-N 406.570 7.551 0 1 HKAF Cc1ccc2c(c1Br)N[C@H]1[C@H]2CCN[C@@H]1Cc1cccc2ccccc12 40709505 UCLCHOONYIGMMV-VWPQPMDRSA-N 407.355 5.393 0 1 HKAF O=C(O)CCCc1ccc(OCCN(c2ccccc2)c2cccc(Cl)n2)cc1 40864719 IKLDPCIRQZUTIB-UHFFFAOYSA-N 410.901 5.359 0 1 HKAF CN1CCN(c2ccc(Nc3ccnc4ccc(-c5ccsc5)cc34)cc2)CC1 58523492 RDQOKHHIOBETQG-UHFFFAOYSA-N 400.551 5.459 0 1 HKAF COc1cccc(Nc2nnc([C@H](O)c3ccc(Oc4ccccc4)cc3)s2)c1 82078128 JDFGNXSHOLPFTD-HXUWFJFHSA-N 405.479 5.164 0 1 HKAF CCC(CC)c1nc2c(NCc3ccc(Cl)cc3)ncnc2n1C[C@H]1CCCO1 82185257 YSLNWSZFUGJEJT-GOSISDBHSA-N 413.953 5.174 0 1 HKAF CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2C(=O)c2ccccc2Cl)cc1 84709380 QOHYOLPVLRRSEG-GOSISDBHSA-N 416.952 6.729 0 1 HKAF O=c1c(-c2ccc(F)cc2)c(-c2ccnc(NC3CCCCC3)c2)oc2ccccc12 84712774 HQDPHFZRESEGCF-UHFFFAOYSA-N 414.480 6.406 0 1 HKAF CN1CCC(COCc2cc(C(F)(F)F)cc(C3(F)CC3)n2)(c2ccccc2)CC1 95587112 SQUYFZZDIQUCSM-UHFFFAOYSA-N 422.466 5.239 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CCc3cc(F)ccc3O2)CC1 96286131 SHXGAFKECZLLLO-UHFFFAOYSA-N 408.395 5.236 0 1 HKAF O=C1O[C@](CC2CCCCC2)(c2ccccc2)CC(O)=C1SCc1ccccc1 100364021 ZXXZDDBRZFFDDH-VWLOTQADSA-N 408.563 6.502 0 1 HKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(OCc2c(Cl)cccc2Cl)nn1 103169630 INQOEOXFAYZTPM-UHFFFAOYSA-N 413.226 6.357 0 1 HKAF COc1ccc(-c2ccc3c(N)c(C(=O)Nc4cc(F)ccc4F)sc3n2)cc1 103248489 MOIXFLIMFDXMMI-UHFFFAOYSA-N 411.433 5.085 0 1 HKAF Clc1ccc(-c2nc(-c3ncccn3)c([C@@H]3CC[C@H](c4ccccc4)NC3)[nH]2)cc1 142698717 DJAZZULACIWTPD-UYAOXDASSA-N 415.928 5.395 0 1 HKAF CNC(=O)c1ccc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cc1Cl 144763691 VFBRTEJXNSQCHQ-NRFANRHFSA-N 417.814 5.145 0 1 HKAF CCCc1nc(O)c(Cc2ccc3nc(C)ccc3c2)c2cc(OC)c(OC)cc12 147696927 MUEFTPVHZGZPNR-UHFFFAOYSA-N 402.494 5.358 0 1 HKAF CCCC[S@](=O)c1sc2nc(-c3nccs3)cc(-c3ccccc3)c2c1N 148069781 KXHHBYNKGJYZNF-HHHXNRCGSA-N 413.593 5.577 0 1 HKAF CC1(C)NC[C@H](c2ccc(Cl)cc2)c2ccc(-c3cnc(C(F)(F)F)cn3)cc21 204520988 HZPNLSFQNAKABD-QGZVFWFLSA-N 417.862 5.786 0 1 HKAF Cc1ccc(N(Cc2ccncc2)C(=O)c2sc3ccccc3c2Cl)c(C)c1 204999900 UNGVVQUYUDKUQV-UHFFFAOYSA-N 406.938 6.414 0 1 HKAF C[C@@H]1CC(C[C@H]2CCC[C@@H]3C[C@@H](C)C[C@@H](C[C@H]4CCCCN4)N23)=C2CCCN[C@@H]2C1 238731723 UCTDBQQQSRQPNH-JMSAUSKOSA-N 413.694 5.409 0 1 HKAF CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@]4(C)[C@H](CC=C5[C@@H]4CCCC5(C)C)[C@@]3(C)CC[C@]12C 255279170 WZDKBHGEBSMIQO-QFGJUUEDSA-N 410.730 9.054 0 1 HKAF CC(C)(C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 261113566 IKAPCPDHWACXJE-XUTJKUGGSA-N 410.602 5.723 0 1 HKAF Nc1sc(-c2ccccc2)c(Cc2ccccc2)c1C(=O)c1ccc(Cl)cc1 473114976 PZVJNQTZWUFAOJ-UHFFFAOYSA-N 403.934 6.473 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2ccc(F)c(F)c2[nH]1 586981342 IQUZOHRQSDSNMX-UHFFFAOYSA-N 409.274 6.230 0 1 HKAF CC1=CC[C@H](C)C(C)(C)[C@H]1/C=C/c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991880 RHNATHJHIHLEJM-AZZJSKFUSA-N 409.529 6.794 0 1 HKAF COC(=O)c1cccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 586998715 ODKMEFAMRAISHW-BENRWUELSA-N 423.266 5.542 0 1 HKAF Oc1nc2cc3nc(-c4oc5ccccc5c4CSc4cccs4)[nH]c3cc2[nH]1 587010507 BOHKNLBHQLBVLQ-UHFFFAOYSA-N 418.503 5.912 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 587014886 SKNACZYVPMWILP-UHFFFAOYSA-N 412.946 5.256 0 1 HKAF Fc1cc(Br)cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 587017569 NGMFQUUTXLOHBA-UHFFFAOYSA-N 409.671 5.303 0 1 HKAF Oc1cccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 587077733 XNOITAVVJJTXQC-JQIJEIRASA-N 423.903 6.624 0 1 HKAF Cc1nc2[nH]c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc2cc1Br 587095458 ZQALOVWOFYLUBD-UHFFFAOYSA-N 424.142 5.733 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC[C@H](OCc1ccccc1)C4)-c1ccccc1C2=O 587099493 KXFWWBGGGKQWBH-IBGZPJMESA-N 405.497 5.829 0 1 HKAF Oc1c(Br)ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 587113249 UQTIOHBZCAVRJV-UHFFFAOYSA-N 408.177 5.265 0 1 HKAF FC(F)(F)Sc1ccc(/C=C\c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 587124723 LJCUVPAJOCIHKK-BAQGIRSFSA-N 420.403 6.957 0 1 HKAF O=C(COc1ccccc1-c1nc2cc3ccccc3cc2[nH]1)Nc1ccccc1F 587154846 SPIHABWJWPYZNW-UHFFFAOYSA-N 411.436 5.540 0 1 HKAF C[C@@]1(c2cccc(Cl)c2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327184 FNYXAKLSRGJVCL-UGKGYDQZSA-N 417.263 6.112 0 1 HKAF Nc1ccc([C@]2(C3CCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587340131 VCOZZTLWPZRWJN-ZCYQVOJMSA-N 403.453 5.168 0 1 HKAF C[C@]1(c2ccccc2)CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587353215 OFVKFIGMIAMAIO-DMTNHVFBSA-N 402.465 5.771 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CS[C@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1 587376235 PDKMJKZMIASBDL-TUNNFDKTSA-N 412.507 5.569 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(Cl)c(F)c3)cc1)CC2=O 587468939 ZERKVQNJFPZRPU-QHCPKHFHSA-N 410.872 6.511 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1Sc1ccccc1Cl)CC2=O 587492270 OCURNWLTQRSFKH-NRFANRHFSA-N 424.949 6.856 0 1 HKAF Cc1ccc([C@@]2(COCC(F)(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587498419 IEYLIYVDKAJGCM-QFIPXVFZSA-N 404.428 5.313 0 1 HKAF O=C1C[C@]2(CCCc3nc(-c4ccccc4F)sc32)Oc2c1ccc1c2CCCC1 587502944 JAYUFDDQLSZMOL-VWLOTQADSA-N 419.521 6.025 0 1 HKAF C[C@]1(c2cc(Cl)cc(OC(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587504513 JDNGLYFBOGTDSN-HXUWFJFHSA-N 410.819 5.998 0 1 HKAF Cc1nn(Cc2ccccc2Cl)c(C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510722 ZSIYQVWRAOKRDN-HSZRJFAPSA-N 420.940 5.787 0 1 HKAF O=C1C[C@]2(CCCCN(C(=O)OCc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587514842 PQWSJSZXFQDSPJ-SANMLTNESA-N 419.521 5.092 0 1 HKAF CC(C)Cc1ccc([C@@]2(c3cccs3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587530330 FMXADKRLWNEHKN-HHHXNRCGSA-N 416.586 6.734 0 1 HKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)/C(=C/c1ccccc1)Oc1cc(O)ccc12 587532088 MVFGXQNDJYWCDQ-ORVZPOCUSA-N 410.469 5.565 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccccc1F 587569574 RHSDZKVWITXTPC-URXFXBBRSA-N 401.393 5.025 0 1 HKAF Cc1ccc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 587600801 CIOMFKZNTUAZLS-LBNVMWSVSA-N 422.480 6.245 0 1 HKAF COc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 587601044 QBPUHTGMIMCOGQ-SHQCIBLASA-N 424.452 5.771 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccs1 587611723 JKIODNSTRKMMEV-URXFXBBRSA-N 400.455 5.359 0 1 HKAF Clc1cccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2cccnc2)c1 587621938 PZIZXJDGTUAPQM-UHFFFAOYSA-N 423.701 6.189 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3cccn3)c(Cl)c2)N1 587691942 FGNHGYLULYVEDZ-JEOXALJRSA-N 420.713 5.051 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)cc(Cl)c2)N1 587696766 FDILXIRMGZLKEO-XYZCENFISA-N 403.122 5.693 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2CCC(C(F)(F)F)CC2)N1 587716552 DLLZBWGFWVKPFM-PTYRAISJSA-N 408.277 5.706 0 1 HKAF Cc1cc(F)ccc1-c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587727527 BPWSYGZPVYMKEG-QKVFXAPYSA-N 418.281 5.919 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(C(C)(C)C)N1 587815142 YXVRNSFSTFVBKE-OYHNWAKOSA-N 404.367 5.997 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cccc(C)c2[nH]1 587959465 MCHYUUWKMQLWIX-WGIJKTCHSA-N 416.653 8.726 0 1 HKAF C/C(=C/c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C1CCCCC1 587968761 STEKQSKSPIUXRK-YFHOEESVSA-N 403.242 6.208 0 1 HKAF FC(F)(F)c1ccc(-c2noc(/C=C/c3ccc(Br)s3)n2)cc1 653796667 SLTYMKHXEIEBRC-SOFGYWHQSA-N 401.207 5.750 0 1 HKAF COc1cc2c(cc1OC)[C@](CCc1ccc(C)c(C)c1)(C1CCCC1)N(C)[C@H](C)C2 962635238 RGQJDBQMIIIIGO-PIKZIKFNSA-N 421.625 6.215 0 1 HKAF COc1cccc2cc([C@@H]3c4ccccc4C[C@H]4CN(c5ccccc5)CCN43)oc12 962641061 NBJPVEYDUSJVCQ-NVQXNPDNSA-N 410.517 5.278 0 1 HKAF Clc1cccc(OCc2ccc([C@@H]3NCCc4cc(-c5ccccc5)ccc43)o2)c1 962670159 VBZJXQLJMLABJO-AREMUKBSSA-N 415.920 6.414 0 1 HKAF COc1ccc2c(c1)[C@@](C)(c1cc3sccc3s1)N(Cc1ccc(F)cc1)CC2 963303382 PPUJORKHPLZJAW-DEOSSOPVSA-N 423.578 6.432 0 1 HKAF Cc1cc(-c2ccc(CNC(=O)c3ccc4c(c3)C(=O)c3ccccc3-4)cc2)ccn1 1772624854 YWCRALSBIZLTRU-UHFFFAOYSA-N 404.469 5.198 0 1 HKAF CC[C@H](C)C[C@H](C)C[C@@H]1CO[C@@H](/C(C)=C\C(=C\C=C\CC(=O)O)C(=O)O)[C@H](C)C1 1857545136 DGSITCBUNUVDBA-QCCVYROPSA-N 406.563 5.478 0 1 HKAF O=C(Nc1sc2c(c1C(=O)Nc1ccccc1)CCCCC2)c1ccccc1O 1857640532 KLXSMLFGFHDHIK-UHFFFAOYSA-N 406.507 5.227 0 1 HKAF CCOC(=O)c1c(-c2ccccc2Br)[nH]c2c1cc(O)c1ccccc12 1857653877 PSLVQKKMJLHQAG-UHFFFAOYSA-N 410.267 5.633 0 1 HKAF COC(=O)c1cc(-c2ccc(-c3cnccc3C(F)(F)F)cc2)nc2ccccc12 1857755799 YJOMQVLMLMGFQF-UHFFFAOYSA-N 408.379 5.769 0 1 HKAF CC(C)=C(c1cccnc1)c1cc(Cl)cc(/C=C/c2ccc(-c3ccncc3)cc2)c1 1857765480 CWAMCYWRYZAFOX-AATRIKPKSA-N 422.959 7.809 0 1 HKAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@]2(C)[C@@H]3CC(C)(C)CC[C@@H]3CC[C@]12C 2356464917 GCKDQWCHVGKSQF-MANDVRGWSA-N 412.702 8.067 0 1 HKAF C[C@@H]1CC[C@H](O)CC1=CC=C1CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CC[C@H](O)C(C)(C)O 2356693252 DQKNOQRSTKDKAN-NZFUCAFZSA-N 418.662 5.785 0 1 HKAF CCCCC[C@H](O)C=CCCCCC[C@H](CCc1ccccc1)[C@@H](C(=O)O)[C@@H](C)O 2356768802 RNNFUQMZRJKOML-VGCGRUFVSA-N 418.618 5.765 0 1 HKAF CC1=C[C@H](CNC2=CC=C[CH]N2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(C)cc2)o1 2356860432 YNDJJKDMZMZWJK-YTFSRNRJSA-N 417.577 5.194 0 1 HKAF COc1cc(OC)c2c(-c3cccc(-c4sccc4C(C)=O)c3)cc(=O)oc2c1 13813995 JTIDHFMZOXWHJL-UHFFFAOYSA-N 406.459 5.408 0 3 HKAF aggregator C[C@]1(C(=O)Nc2cccc(Oc3ccccc3)c2)CCN1Cc1ccccc1Cl 61898113 BONOMPSDOCATIQ-XMMPIXPASA-N 406.913 5.735 0 3 HKAF CSc1ccc(CN2CC[C@@]2(C)C(=O)Nc2cccc(Oc3ccccc3)c2)cc1 61906862 VTPMQIPIVXFIJS-VWLOTQADSA-N 418.562 5.804 0 3 HKAF CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12 13560058 XOXZWOHFITYZGG-UHFFFAOYSA-N 410.945 6.100 0 1 HKAF O=C(Nc1ccccc1C(=O)O)c1ccc(-c2cccnc2)c(Oc2ccccc2)c1 13611197 VODIANKEFLCLNL-UHFFFAOYSA-N 410.429 5.491 0 1 HKAF CCCc1cc(C(=O)CC)cc(CCC)c1C[C@@H](C(=O)O)c1ccc(C(C)C)cc1 13646481 UVINFDHZYLCVTC-RUZDIDTESA-N 408.582 6.719 0 1 HKAF CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1c2ccccc2CC[C@@H]1N1CCCC1 13822287 RDOAFKQFVDDSKQ-GMAHTHKFSA-N 417.380 5.146 0 1 HKAF CCCOc1ccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1OCCC 27109589 YAHBKHKPCNPNEZ-UHFFFAOYSA-N 422.550 5.939 0 1 HKAF O=c1[nH]c(SCCCCCCCCCc2ccccc2)ncc1Cc1cccnc1 27312366 CPBOVEGGKCTBQR-UHFFFAOYSA-N 421.610 5.821 0 1 HKAF CN(C)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)c3c(N)ncnc3n2)cc1 27981247 LPLWRKUKLKHHRJ-UHFFFAOYSA-N 409.415 5.026 0 1 HKAF CS(=O)(=O)Nc1ccc2oc(N[C@H](CC3CCCCC3)c3ccccc3)nc2c1 28007025 ZQCKPCYOQVFOSZ-LJQANCHMSA-N 413.543 5.323 0 1 HKAF CCC(=O)[C@@H]([C@@H](C)/C=C/CCSc1ccccc1)[C@@H](O)CCCCCC(=O)OC 31872530 NLKNRIQOWCDPRF-UGQPVPCYSA-N 420.615 5.441 0 1 HKAF CC(C)=CCc1c([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(O)c2c1C=CC(C)(C)O2 40393159 DOHUWPORVBGXGM-NRFANRHFSA-N 422.477 5.203 0 1 HKAF biogenic N=C(N)c1ccc2cc(-c3ccc(OCCCCCOc4ccccc4)cc3)oc2c1 43014902 PXFLMQILKVTYNR-UHFFFAOYSA-N 414.505 6.012 0 1 HKAF Cc1cc(N(C)[C@H]2CCN(CC3CCCCC3)C2)nc(Nc2ccc(Cl)cc2)n1 45193189 QHNJXCGDUFYMSH-NRFANRHFSA-N 413.997 5.273 0 1 HKAF C[C@@](O)(c1cccs1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C 45319952 VQXYALIFGGOXRU-OYDLWJJNSA-N 408.542 5.862 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@@]43C)[C@@H]1CCC(=O)N2 49807482 IDQZXZUTOLRMIJ-RACKXPAOSA-N 407.554 5.043 0 1 HKAF CC1=C(C(=O)Nc2ccc(F)c(Cl)c2)[C@H](c2ccco2)n2c(nc3ccccc32)N1 64448315 PANQGLQEYXTMEB-FQEVSTJZSA-N 422.847 5.349 0 1 HKAF CCCc1cc(Cc2ccc(Cl)cc2)c(/C=C2\N=C(c3ccc[nH]3)C=C2OC)[nH]1 72106461 SAKAGWYRHLVLDD-UCQKPKSFSA-N 405.929 5.914 0 1 HKAF CO[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@@H](C)NCCC(C)C)CC[C@H]4[C@@H]3CC[C@@H]2C1 72134961 FPYGMKMGRVHQNZ-NWKZBHTNSA-N 403.695 6.685 0 1 HKAF Cc1cnc(COc2ccc(-c3nn(CCF)cc3-c3ccncc3)cc2)c(C)c1C 73169971 CSSLCJQGXMBANY-UHFFFAOYSA-N 416.500 5.481 0 1 HKAF Cc1cc(C)c2c(c1C)O[C@](C)(COc1ccc(/C=C3\SC(=O)NC3=O)cc1)CC2 73295831 YHODIAGMTPQGOS-KBXFHMSTSA-N 423.534 5.098 0 1 HKAF O=c1cc(-c2ccccc2)oc(O)c1[C@H](SCc1ccccc1)c1ccccc1 100990951 GYCOXODOSHQSPJ-XMMPIXPASA-N 400.499 6.035 0 1 HKAF CC(=O)N1N=C(c2ccc(Nc3cc(=O)oc4ccccc34)cc2)C[C@H]1c1ccccc1 103177209 NCJZYQXUIOWIRV-DEOSSOPVSA-N 423.472 5.234 0 1 HKAF CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccsc2)C2=C(O)CCCC2=N1 103950163 FKUPTPMJAXZPHS-NRFANRHFSA-N 409.507 5.179 0 1 HKAF CC1CCN(c2c(S(=O)(=O)c3cccc(F)c3)cnc3cc(Cl)ccc23)CC1 144143129 RMGLGXINAOGYDI-UHFFFAOYSA-N 418.921 5.096 0 1 HKAF C[C@H](CN1CCCC[C@H]1CCC1CCCCC1)c1cccc(C(=O)c2ccccc2)c1 253635140 RTGQEPZLTBYSMQ-LXFBAYGMSA-N 417.637 7.236 0 1 HKAF Nc1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1 299860344 GNBPHMGSGGPNOT-UHFFFAOYSA-N 423.782 5.167 0 1 HKAF CCC(C)(C)c1ccc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)cc1 586881697 OJPMYNZANGFJKB-UHFFFAOYSA-N 411.265 6.699 0 1 HKAF O=C1c2ccccc2-c2c(Cc3ccc(F)c(OC(F)F)c3)cnc3ccc(O)c1c23 586987119 SZQVTAPCQNQVDV-UHFFFAOYSA-N 421.374 5.483 0 1 HKAF Cc1ccc2c(ccc3nc(CCN4c5ccccc5Sc5ccccc54)[nH]c32)n1 587041134 VYMWOXRVZXUQSU-UHFFFAOYSA-N 408.530 6.265 0 1 HKAF CCCCCCc1c(-c2ccccc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099520 LNISWIVKIJCWSK-UHFFFAOYSA-N 405.541 7.544 0 1 HKAF FC(F)(F)Oc1cccc(CSCc2nc3c(Cl)cnc(Cl)c3[nH]2)c1 587124537 MOTXGCYNXSAXIM-UHFFFAOYSA-N 408.232 5.597 0 1 HKAF Fc1cc(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)ccc1-c1ccccc1 587145909 VKMHPTQFWFJIRC-UHFFFAOYSA-N 420.793 6.512 0 1 HKAF Fc1ccc(Oc2ccc(-c3nc4cc(Cl)cnc4[nH]3)cn2)c(Br)c1 587161247 NVFPFPVJYHSVIV-UHFFFAOYSA-N 419.641 5.367 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587191409 LSGDWRHMNPRRIR-HNNXBMFYSA-N 407.301 5.221 0 1 HKAF O=Cc1cccc(-c2ccsc2-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587209312 NQLNOMIGZLCAPX-UHFFFAOYSA-N 417.489 6.654 0 1 HKAF C[C@@]1(c2ccc(Br)o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323884 NJKLXQHIZSDOHG-ICSRJNTNSA-N 417.230 5.161 0 1 HKAF CCCC[C@@H]1Cc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355089 SFRYGXXWYGRCTB-KAZGAHJFSA-N 416.492 6.148 0 1 HKAF COc1cccc(-c2c(Cc3ccc(F)c(F)c3)c(C)nc3c2oc2ccccc23)c1 587359848 JEENJIJNSNUQMN-UHFFFAOYSA-N 415.439 6.834 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(CC/C=C(/C)CC/C=C(\C)CCC=C(C)C)[C@@H](C2)C3=O 587445826 OIGXHLZEYIUSQR-FTGXRYOGSA-N 422.609 7.401 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(Cl)cc4)nc4sccn14)[C@@H](C2)C3=O 587450165 FLEIGWRRIVLRBL-YCRPNKLZSA-N 422.893 5.214 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(C=C(C)Oc3ccc(Br)cc31)CC2=O 587457655 MHGFGHSAJRXKEA-OAQYLSRUSA-N 415.283 5.264 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(NC(=O)C(C)(C)C)ccnc1Cl)CC2=O 587462403 QCWZCCWKCPRAHD-QGZVFWFLSA-N 416.905 5.084 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](CCc1cccc(SC(F)(F)F)c1)CC2=O 587464320 OCNJQEJUEYTBFF-CQSZACIVSA-N 410.457 5.923 0 1 HKAF CCc1cccc2c([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cn(CC(=O)O)c12 587515030 IFBROBWPYGKPLH-SANMLTNESA-N 417.505 5.048 0 1 HKAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(=O)OC(C)(C)C 587528122 ZVUSGFIMSJUIDB-NRFANRHFSA-N 424.493 5.594 0 1 HKAF O=C1C[C@](c2ccccc2)(c2ccsc2C(=O)O)Oc2c1ccc1c2CCCC1 587530724 HDEFQWGTGPLARF-DEOSSOPVSA-N 404.487 5.234 0 1 HKAF Cc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N)c1 587582249 ZEBUOSANIRUZJM-IGKIAQTJSA-N 423.468 5.188 0 1 HKAF Cc1cc(C)cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 587603418 OJXANZOCLHPOQS-LSYYVWMOSA-N 422.480 6.379 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2)s1 587616052 YTEMTSWJPPFUBC-ZJSXRUAMSA-N 400.455 5.824 0 1 HKAF CCOC(=O)c1c(-c2cc(F)c(F)c(Cl)c2F)[nH]c2ccc([C@H](C)CC)cc12 587642771 QABRKDYNINPTFS-SNVBAGLBSA-N 409.835 6.596 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(-c3ccc(N4CCOCC4)cc3)c2c1 587644347 VWCVYPHIEFLCSQ-FQEVSTJZSA-N 410.561 6.852 0 1 HKAF CC(C)[C@@]1(c2cccc(Cl)c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587726382 WZUAGYAFHPKOAW-WLRWDXFRSA-N 414.721 5.815 0 1 HKAF Cc1cc(C)n(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)n1 587764774 QUVXMYUMFGKZSN-LAJNKCICSA-N 414.322 5.014 0 1 HKAF Cc1ccccc1-c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587827252 IYSNTPUAXFDACQ-ZSEKCTLFSA-N 400.291 5.780 0 1 HKAF C[C@@H](Cn1nc(C(F)(F)F)cc1C1CC1)c1nc(-c2cc(F)ccc2F)cs1 587921569 HIGNRTVJYFPCCX-JTQLQIEISA-N 413.415 5.985 0 1 HKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 587950061 IYDPQMUWPSJNBZ-RBOXIYTFSA-N 409.324 5.158 0 1 HKAF c1ccc(C[C@@H](c2ccccc2)c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 587955775 NZYASXZXUGNLLO-DEOSSOPVSA-N 406.554 7.089 0 1 HKAF CCCCCOc1cc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2cc1Br 587962004 WHICPPNSFZKAIH-IRXDYDNUSA-N 413.359 6.241 0 1 HKAF C[S@](=O)c1ccc([C@@H](OC2CCCCC2)c2cc3cccnc3[nH]2)cc1Cl 653807543 MGLPUJRDRZAPKW-HRFSGMKKSA-N 402.947 5.392 0 1 HKAF CCCCOc1ccc(F)c([C@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c1F 962566890 JKBMKNMGRMJHJQ-JLCFBVMHSA-N 405.485 5.127 0 1 HKAF CN1C(=O)C[C@@H]2CN[C@@](C)(c3ccc(-c4ccc(Cl)cc4)s3)c3cccc1c32 963018795 CNVSBSXLNMHZHR-IQMFZBJNSA-N 408.954 5.385 0 1 HKAF O=C(C[C@@]1(c2ccc(F)cc2)NCCc2c(Cl)cc(Cl)cc21)C(F)(F)F 963102893 GJFITRUMFJUWKF-KRWDZBQOSA-N 406.206 5.043 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccc(C)nc1)c1cc(OC)ccc1OC 963241193 MIOBXTPFMXSYTJ-HRFSGMKKSA-N 416.565 5.356 0 1 HKAF Cc1ccc(/C=C\[C@]2(c3ccco3)c3cccc(Br)c3CCN2C)cc1 963280794 OXVBJKUGUAVDQH-QSMQPCCASA-N 408.339 5.795 0 1 HKAF Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12 1772649818 ANLPZTGEAKOACM-UHFFFAOYSA-N 411.387 5.596 0 1 HKAF C[C@H](CCCO)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356758815 JSNPIABEUZFKHK-WKWIIZQQSA-N 402.663 6.195 0 1 HKAF COc1ccc(C)cc1Nc1n[n+](-c2ccccc2)c(-c2ccc(SC)cc2)s1 15936913 QFNWPCFRUXTJSM-UHFFFAOYSA-N 420.583 5.869 0 3 HKAF CC1=C2C(=NC(=O)N(c3ccccc3)[C@H]2c2ccc(Cl)cc2)N(c2ccccc2)N1 104000866 NIBPMZZWIXCVKB-QFIPXVFZSA-N 414.896 5.719 0 3 HKAF COc1cc(Nc2nccc3[nH]c(-c4cccc(C(C)C)c4)nc23)cc(OC)c1OC 206058410 XBJBHUYIBBDKAV-UHFFFAOYSA-N 418.497 5.518 0 3 HKAF C[C@@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1)c1ccc(F)cc1 4208330 SCENWXDAMFQKAL-DYHNYNMBSA-N 412.848 5.041 0 1 HKAF CC(C)COC(=O)c1ccccc1CSc1c(O)cc(-c2ccccc2)oc1=O 5962706 VPHUDHGCGKHEHT-UHFFFAOYSA-N 410.491 5.118 0 1 HKAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc(C(F)(F)F)nc12 13442842 HBRLPTMZNRCNBL-UHFFFAOYSA-N 416.186 5.216 0 1 HKAF in-vivo O[C@H]1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1 13493984 SEGLRXUOVKIQDG-NVQXNPDNSA-N 419.540 5.205 0 1 HKAF CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 13560049 XWAKPXGLAPHIDZ-UHFFFAOYSA-N 410.945 6.100 0 1 HKAF CCCC[C@@H]1Cc2cc(OC(C)=O)ccc2-c2c(C=O)c3ccc(OC(C)=O)cc3n21 13650955 UBWKLTUKVHEUGZ-GOSISDBHSA-N 419.477 5.259 0 1 HKAF C(=C/c1ccccc1)\CN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1 13778617 DIPLLXKFFHRZGI-JLHYYAGUSA-N 411.589 6.608 0 1 HKAF CC[C@@]1(C[C@](O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)CCCc2ccccc21 28826141 YTXMUOSDKIUWKU-XZOQPEGZSA-N 401.472 6.078 0 1 HKAF CN(c1nc2c(Cl)cccc2s1)C1CCN(CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1 28957171 UHMSWKBDMFPZGB-WMZOPIPTSA-N 416.034 5.843 0 1 HKAF CCSc1ccc(-c2cc(Cl)cc3c2O[C@H](C(F)(F)F)C(C(=O)O)=C3)cc1 34576355 WPYQXCORZGBFKS-KRWDZBQOSA-N 414.832 5.910 0 1 HKAF CCOC(=O)[C@@H](Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C1CCCCC1 34778505 OLUCEZQVROQMQK-QFIPXVFZSA-N 400.902 5.462 0 1 HKAF O=C(O)c1c(O)c(Cc2c[nH]c3ccc(Cl)cc23)nc2c3c(ccc12)CCCC3 35087062 UOCLYHSYRGOBNR-UHFFFAOYSA-N 406.869 5.243 0 1 HKAF CC(C)(C)c1nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c(=O)[nH]1 40875165 OCSOPGWXKAJFIC-UHFFFAOYSA-N 424.331 6.256 0 1 HKAF COc1ccc2c(Nc3c(Cl)cncc3Cl)ccnc2c1OC1CCCC1 49089793 CGFNGPFORQBZLC-UHFFFAOYSA-N 404.297 6.010 0 1 HKAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1nc2cc(C)ccc2n1C 58487335 DGMFFGXXSQCNDK-LEWJYISDSA-N 424.335 5.864 0 1 HKAF CCN(CC)CCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(Cl)ccc3c1C2=O 71331838 CMXGMXGQJOXSFO-UHFFFAOYSA-N 410.945 5.412 0 1 HKAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccc(F)cc3)n2)C1 82136392 MBBVEOQQSNMAKW-WYADAEROSA-N 424.564 5.074 0 1 HKAF COCCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2)n1 82162513 YULZMNZRCURTCC-UHFFFAOYSA-N 402.523 5.383 0 1 HKAF CN(Cc1ccccc1)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 84359965 VGECHHJNXOGESZ-UHFFFAOYSA-N 419.908 5.657 0 1 HKAF CCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccccc3)ccc21 84731158 WEMHPTQJUJFIJK-UHFFFAOYSA-N 412.577 5.956 0 1 HKAF COc1cccc(-c2nc3cc(C)ccc3n2Cc2cc(OC)c(OC)c(OC)c2)c1 95553166 HNKOOANYGUGZPZ-UHFFFAOYSA-N 418.493 5.094 0 1 HKAF c1ccc(C[n+]2cn([C@@H](c3ccccc3)c3cc4ccccc4o3)c3ccccc32)cc1 95592117 XXZSSPWFTOBUME-LJAQVGFWSA-N 415.516 6.361 0 1 HKAF Cc1cc([C@@H]2C[C@@H](CN3CCCCC3)C(=O)N2C)sc1-c1ccccc1Cl 96248463 KBMKEQNMFXTFMO-LPHOPBHVSA-N 402.991 5.382 0 1 HKAF Cc1cccc(-c2nc3ccn(Cc4ccc(OC(F)(F)F)cc4)cc-3n2)c1F 100068534 IAXWCCVMEPELBP-UHFFFAOYSA-N 401.363 5.444 0 1 HKAF COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(O)CCCC1=N2 103667143 XGBOKQAGFLDWPD-HXUWFJFHSA-N 404.293 6.225 0 1 HKAF CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccccn2)C2=C(O)CC(C)(C)CC2=N1 103997010 ZDKAXCIRFXYGRO-DEOSSOPVSA-N 416.521 5.312 0 1 HKAF O=C(O)C[C@@H]1CCc2c1[nH]c1ccc(OCc3ccc(Cl)c(C(F)(F)F)c3)cc21 117524163 RTUNBEZDQHTOCR-LBPRGKRZSA-N 423.818 5.924 0 1 HKAF C/C(=C\Cc1cc(-c2coc3cc(O)cc(O)c3c2=O)ccc1O)CCCC(C)(C)O 142979140 PDLBZGJKGCEGQH-GIDUJCDVSA-N 424.493 5.007 0 1 HKAF O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4ccc(F)cc4)c(F)c3F)nc12 144714349 HCNCGHWYBKJZMH-UHFFFAOYSA-N 404.294 5.291 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccc(C)cc2)cc1)C3 169359007 VRRMSKNGCUBGOY-MLBZBATNSA-N 401.550 5.339 0 1 HKAF C[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(F)c(Br)c1 253993327 ZESNJJBGEWLRGV-NVGWVTIJSA-N 414.318 5.500 0 1 HKAF CN(C)CCNc1nc(/C=C/c2ccc(Cl)cc2)nc2cc(C(F)(F)F)ccc12 299870294 WBONPCSUXNNEGV-BJMVGYQFSA-N 420.866 5.446 0 1 HKAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c2)cc1 586879837 KBPBKEUBFQWHTM-UHFFFAOYSA-N 404.469 6.892 0 1 HKAF CCCCCOc1cc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586885532 VVIAZURGRDUMPV-FENNVDPPSA-N 417.391 6.362 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(OCc3ccccc3)cc2[nH]1 586915764 HORDLYCVWPWHIC-HFZDXXHNSA-N 412.489 5.358 0 1 HKAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc(OC(C)C)cc3[nH]2)cc1 586948051 DDFPKWQKMAOQJH-UHFFFAOYSA-N 421.522 5.126 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2c(Cl)ccnc2[nH]1 586980953 BWDFACTYPUSHMH-UHFFFAOYSA-N 408.727 6.000 0 1 HKAF C[C@H]1c2nc3cccc4c3c(c2CCN1C(=O)OC(C)(C)C)-c1ccccc1C4=O 587105159 QRHVLBWLOKHOHO-AWEZNQCLSA-N 400.478 5.300 0 1 HKAF CCOC(=O)[C@@H](Cc1ccc(C)cc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105765 DPMSUAMHTONBLG-QHCPKHFHSA-N 421.496 5.644 0 1 HKAF Fc1ccc(F)c(SCc2cccc(-c3nc4c(F)cnc(Cl)c4[nH]3)c2)c1 587140515 BRGKUGUCOUAWAY-UHFFFAOYSA-N 405.832 5.988 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)cc2F)c1 587142773 CPFRDEXXWIVUSC-UHFFFAOYSA-N 423.221 6.630 0 1 HKAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)c1 587147494 QSCPDAMPYSFFRZ-UHFFFAOYSA-N 419.456 5.435 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCOc3cc(Cl)ccc32)[C@@H]1c1ccc(F)cc1 587331429 PNTOLODQDBMIEO-VWNXMTODSA-N 424.855 5.612 0 1 HKAF C[C@@]1(c2c[nH]c3cc(F)ccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332095 IQIONNQGKOTYPB-VWNXMTODSA-N 405.400 5.426 0 1 HKAF CCO[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C12CCCCC2 587350047 DFCQMDHYRYSXJO-OTNCWRBYSA-N 410.485 5.388 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)Cc2ccc(Cl)cc2C3)c1 587359650 HVVFDWNTYHRSSN-UHFFFAOYSA-N 411.888 6.805 0 1 HKAF COC(=O)c1ccc(-c2ccccc2[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1F 587384106 AIJFAFNERVHSCD-VWLOTQADSA-N 419.452 5.051 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1cccc(F)c1 587385888 WBCUTYNFBRUVDM-QFIPXVFZSA-N 407.441 5.010 0 1 HKAF C=CN1CCCC[C@H]([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587514369 NXDIWRKWNGJWAL-WNCULLNHSA-N 415.533 5.198 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCC(F)(F)F)c1 587550328 UWNJXPLKTYVNNE-GHTZIAJQSA-N 416.351 5.036 0 1 HKAF CCOc1ccc([C@@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587595165 JIFKACJQCUQCQO-WIOPSUGQSA-N 402.446 5.058 0 1 HKAF Cc1nn(Cc2c(-c3ccc(Cl)cc3)[nH]c3ccc(F)c(Cl)c23)c(C)c1Cl 587628894 TYKRXRNGARRHAU-UHFFFAOYSA-N 422.718 6.796 0 1 HKAF Cc1c(Cl)ccc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)[nH]c12 587695435 JUGUUBGSZCNLDC-AYLIAGHASA-N 407.714 5.655 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(Cl)c(Cl)c2)N1 587705268 LYRWTSZCQPBZHL-PWJLMRLQSA-N 404.110 5.088 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2CCC(C(F)(F)F)CC2)N1 587716548 DLLZBWGFWVKPFM-NRRCOEPMSA-N 408.277 5.706 0 1 HKAF Brc1cccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587783765 GZXCAXOCOMDFAF-SDNWHVSQSA-N 405.295 6.075 0 1 HKAF CCCCCCOc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587791936 KDVZXZAJGYNTBV-NYHFZMIOSA-N 420.366 6.171 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]2CCc2ccccc2)N1 587817891 BNJKSZUMCALZLO-FXCLAUTBSA-N 402.351 5.751 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccsc2N)N1 587844420 NTZMUZQBOMITDM-ODXCJYRJSA-N 417.347 5.058 0 1 HKAF Cc1ccc(-c2ncc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 587853505 NOTFBTCFPJQJPO-HXPMCKFVSA-N 417.347 5.644 0 1 HKAF CSc1ccc(-c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)cc1 587924830 KWJKHHKBAJBYRV-UHFFFAOYSA-N 412.580 6.470 0 1 HKAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)c2)c1 587933457 OWSOOPAKBBILJG-UHFFFAOYSA-N 422.484 6.190 0 1 HKAF CCOc1ccc(OCC)n1-c1ccc(Br)cc1OCc1ccccc1 587942003 XOEYNCHIOHKTTA-UHFFFAOYSA-N 416.315 5.616 0 1 HKAF O=C(O)CCCCCCCCCCCCc1nc2cc(Br)cnc2[nH]1 587957312 WKLPPQFJVHCRQR-UHFFFAOYSA-N 410.356 5.639 0 1 HKAF COC(=O)c1cc2nc(/C=C(/C)CCC=C(C)C)[nH]c2c(F)c1Nc1ccccc1 587968606 SKHBUPWIUFLTIU-SSZFMOIBSA-N 407.489 6.382 0 1 HKAF C/C(=C\c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C1CCCCC1 587968760 STEKQSKSPIUXRK-JXMROGBWSA-N 403.242 6.208 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@@]1(c1cc(Cl)cc(Cl)c1)C1CC1 962375063 RJKLGHFFVQBTKT-QFIPXVFZSA-N 417.405 6.105 0 1 HKAF FC(F)(F)c1ccccc1-c1ccc([C@H]2NCCc3cccc(-c4ccccc4)c32)o1 962669143 RWELSCPAVITZHK-RUZDIDTESA-N 419.446 6.868 0 1 HKAF Nc1c2c(nc3c1[C@H](c1ccccc1)c1c(n[nH]c1-c1ccccc1)O3)CCCCC2 1772621101 PONJYBZPSQGCKO-FQEVSTJZSA-N 408.505 5.609 0 1 HKAF FC(F)(F)c1c(OC[C@@H]2C[C@H]2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12 1772639345 LETPPZNSGLCXSE-HOCLYGCPSA-N 421.850 5.537 0 1 HKAF Clc1ccc(Nc2ncnc3sc4c(c23)CCN(Cc2ccccc2)C4)cc1 1857609920 DNFZDLXNEOBFPY-UHFFFAOYSA-N 406.942 5.647 0 1 HKAF COc1cc(-c2ccc[nH]2)oc1C1=C2N=C3C=C2[C@H](C(C)C)[C@H]1CCCCCCCC3 2356455503 WTZQQLFRBFUXPB-NTKDMRAZSA-N 418.581 7.412 0 1 HKAF CC1(C)C=Cc2c(c3c(c4c2O[C@H](c2ccc(O)cc2)CC4=O)OC(C)(C)C=C3)O1 2356497702 WNISSJPEZNQAON-IBGZPJMESA-N 404.462 5.467 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C=C(C(=O)O)[C@H](CCc2ccoc2)[C@]2(C)CCCC(C)(C)[C@@H]12 2356655393 DJGJPNDCXJTXRM-SMTRIPRVSA-N 414.542 5.564 0 1 HKAF CCOC(=O)N(C)c1c(CC)nc2c(OCc3cc(Cl)cc(Cl)c3)cccn12 61908041 YBBQMUZNSPHPJG-UHFFFAOYSA-N 422.312 5.375 0 3 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)NCC(c1ccccc1)c1ccccc1 3798851 MGQJSBZOPBVNER-UHFFFAOYSA-N 400.566 6.887 0 1 HKAF CCc1ccc(-c2nc(CSCC(=O)N3CCc4ccccc4C3)c(C)o2)cc1 5057565 YESXLPYMFSPVCH-UHFFFAOYSA-N 406.551 5.031 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4Nc5nocc5C[C@]4(C)[C@@H]3CC[C@]12C 5715773 CDSNJPKIZZSWGQ-XIOSJHRWSA-N 412.662 7.332 0 1 HKAF CCc1nc2c(-c3ccc(OC)nc3C(F)(F)F)ccnc2n1[C@@H](CC)CCOC 13487162 UHKDJZXIGPFTOJ-ZDUSSCGKSA-N 422.451 5.071 0 1 HKAF O=Nc1c(-c2c(O)[nH]c3cc(I)ccc23)[nH]c2ccccc12 13559459 SAZAEFLODZISSG-UHFFFAOYSA-N 403.179 5.024 0 1 HKAF O[C@H](COc1ccccc1)CN1CCC(c2ccc(Cc3ccc(F)cc3)cc2)CC1 13836166 VWQGDNWLMBJUHU-SANMLTNESA-N 419.540 5.036 0 1 HKAF COC1(c2ccccc2)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1 28818981 KJQMDGZKVORVRS-UHFFFAOYSA-N 421.463 5.117 0 1 HKAF CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 34951217 JZVFJDZBLUFKCA-VGDIZQROSA-N 412.702 7.801 0 1 HKAF endogenous,in-man O=C(Nc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1)Nc1ccsc1 45324013 MIWOHVYUATWNRJ-UHFFFAOYSA-N 416.531 6.664 0 1 HKAF COc1ccc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)c2c(N)noc12 63298252 MTCHQDWUHQADSY-UHFFFAOYSA-N 410.380 5.008 0 1 HKAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccc(O)cc1 73196719 XDBBLMGUFLMARG-UHFFFAOYSA-N 408.401 5.217 0 1 HKAF Cc1ccc2nc(-c3cccc(OCc4ccccc4)c3)c(NC3CCCCC3)n2c1 73296379 WYVIKBWDIHMCJB-UHFFFAOYSA-N 411.549 6.633 0 1 HKAF CC/C=C\C/C=C/C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 85617182 SOQKXJABGLKWQX-TYIBGYPGSA-N 408.626 8.442 0 1 HKAF c1ccc(C[n+]2cn([C@H](c3ccccc3)c3cc4ccccc4o3)c3ccccc32)cc1 95592118 XXZSSPWFTOBUME-GDLZYMKVSA-N 415.516 6.361 0 1 HKAF COc1ccc(-c2[nH]c3ccccc3c2Cc2cc(OC)c(OC)c(OC)c2)cc1 95596436 ZCDCYSPVBKBAPV-UHFFFAOYSA-N 403.478 5.460 0 1 HKAF CCN(Cc1ccccc1)C(=O)Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)O 96924219 CDFHDWRNCNFYEY-UHFFFAOYSA-N 414.914 5.821 0 1 HKAF O=C(O)c1ccc(N[C@H](CC(=O)c2cc3ccccc3o2)c2ccc(F)cc2)cc1 103175062 OFLHJXSVIHZQIU-HXUWFJFHSA-N 403.409 5.696 0 1 HKAF CCOc1ccccc1[C@@H]1C2=C(O)C[C@@H](c3ccccc3)CC2=NC(C)=C1C(=O)OC 103544058 KYFPGPXUVIDZIA-UUOWRZLLSA-N 417.505 5.460 0 1 HKAF CC1(C)CC2=Nc3cc(C(=O)c4ccccc4)ccc3N[C@@H](c3ccco3)C2=C(O)C1 103912688 LUOWJWWAELBNFE-DEOSSOPVSA-N 412.489 6.382 0 1 HKAF CC[C@H](C)NC(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F 105179188 ZCUHJOCIFKATHC-RMWAXNGCSA-N 424.564 5.294 0 1 HKAF COc1ccc([C@H]2CN3CCC[C@H]3c3cc(OCCCN4CCCCC4)ccc32)cc1 140306892 BDHLYFHGXMWWJR-SXOMAYOGSA-N 420.597 5.232 0 1 HKAF COc1ccc([C@@H]2N(c3ccnc(N[C@@H](C)c4ccccc4)n3)C(=O)OC2(C)C)cc1 142120521 LVPITHJLZOMCTJ-KKSFZXQISA-N 418.497 5.135 0 1 HKAF CC(=O)[C@@]1(O[C@H]2CCCCO2)CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 142164491 QQVAXFGGMRCACY-IVYFNMMQSA-N 416.602 5.469 0 1 HKAF O=C(Nc1cccc(Oc2ccc3c(/C=C/c4c[nH]cn4)n[nH]c3c2)c1)c1ccccc1 167278570 AVEPZQPLJXFMDL-FMIVXFBMSA-N 421.460 5.501 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@H]1/C(=C/c1ccc(-c4ccc(C)cc4)cc1)CN2C3 169359009 VRRMSKNGCUBGOY-SVVORNSRSA-N 401.550 5.339 0 1 HKAF O=S(=O)(c1cccc2ccccc12)N1N=C2CCCC[C@@H]2[C@H]1c1ccc(Cl)cc1 195348172 WVFWEWLIYCVEAL-NZQKXSOJSA-N 424.953 5.785 0 1 HKAF O=C(CSc1nnsc1-c1cccc2ccccc12)Nc1cccnc1Cl 205140537 VJOIYFSYGLYZQA-UHFFFAOYSA-N 412.927 5.138 0 1 HKAF O=C(O)[C@H]1CC[C@H](CNc2nc(NC3CCCCC3)cc(-c3ccccc3)n2)CC1 299826331 LPBCIGZAKGGGLR-UAPYVXQJSA-N 408.546 5.191 0 1 HKAF CCCOc1cc2nc(CCSCc3ccc(C)cc3)[nH]c2cc1Br 586970963 QNEWTGWWGRXBPU-UHFFFAOYSA-N 419.388 5.899 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(-c4ccncc4)cc3)nc3ccc(O)c1c23 586987425 AWPCGVNICGAYSD-UHFFFAOYSA-N 400.437 5.881 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(Br)c(N)c4)nc13)-c1ccccc1C2=O 586993050 HSFSRASTVGBWHP-UHFFFAOYSA-N 415.290 5.766 0 1 HKAF Fc1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1F 587000788 QQWVFNHEXQQMLB-UHFFFAOYSA-N 415.241 5.278 0 1 HKAF Cc1ccc(C)c2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc12 587005483 XFIAHJACSGZESB-UHFFFAOYSA-N 411.141 5.754 0 1 HKAF CCCCOc1cc2nc(CSCc3ccsc3)[nH]c2cc1Br 587025540 HJAPBLBVZWMFLL-UHFFFAOYSA-N 411.390 5.999 0 1 HKAF FC(F)(F)Oc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 587038621 AZKZAEDIZKWFJL-UHFFFAOYSA-N 412.458 5.519 0 1 HKAF COc1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc(Cl)c1OCC(C)C 587045690 CDNMJOCPXXSAJW-UHFFFAOYSA-N 402.878 5.088 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc3ncccc3c2[nH]1 587069260 DMORSXKMOVEVSP-CHBHLYQYSA-N 408.332 6.784 0 1 HKAF FC(F)(F)Oc1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Cl 587077278 UOVQETTZMGSQAU-HNNXBMFYSA-N 416.186 5.385 0 1 HKAF Cc1cc(Br)c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2c1 587083207 JRGLBEOQNIXCFE-UHFFFAOYSA-N 407.098 6.156 0 1 HKAF Cc1cnc(Cl)c2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12 587112522 VKVZBLJBOHUSJS-UHFFFAOYSA-N 407.745 5.743 0 1 HKAF FC(F)(F)c1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c(Br)cn1 587115454 VCBZOOMQUNLMSD-UHFFFAOYSA-N 411.996 5.108 0 1 HKAF Cc1ccc2c(ccc3nc([C@H](C)n4nc(C(F)F)c(Cl)c4C(F)F)[nH]c32)n1 587129730 ZTXUTAJGHFVZGL-QMMMGPOBSA-N 411.790 5.754 0 1 HKAF Clc1cc(I)cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1 587181987 AURKXIZZCOKIMK-UHFFFAOYSA-N 424.456 5.190 0 1 HKAF CCOC(=O)CCCCCc1c(-c2cccc(Cl)c2)nc2cccc3c2c1CC3 587209591 SXPFGGFDFCOOBK-UHFFFAOYSA-N 407.941 6.320 0 1 HKAF CCc1ccccc1NC(=O)c1nc2c(C(F)(F)F)cc(Br)cc2[nH]1 587241565 WHVIVBRSBROQKB-UHFFFAOYSA-N 412.209 5.159 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3cc4ccccc4cc3NC(=O)C(C)C)nc2c1 587246508 BOIWBBBFNFFYIH-UHFFFAOYSA-N 422.326 6.049 0 1 HKAF CCCCC[C@@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330330 BJNVZECXNVYZKL-AHWVRZQESA-N 419.496 5.948 0 1 HKAF C[C@]1(c2ccc(F)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339616 ZDFNGKYIWVPWSK-IFMALSPDSA-N 400.808 5.598 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cc(C(F)(F)F)c1)O2 587382828 SUROHEFGWQYUMP-OAHLLOKOSA-N 400.194 5.065 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc(Cl)c1OC(F)F)[C@@H](C2)C3=O 587422059 NIPXPANKDIHFKF-QFYYESIMSA-N 401.192 5.092 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)cc(CN3CCC[C@H](C)C3)c1C)CC2=O 587475455 MDHNSWIRKQUGCQ-QLXKLKPCSA-N 421.581 5.900 0 1 HKAF C[C@]1(Cc2ccc(Br)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587506870 QKSYFWDYWGLOAQ-NRFANRHFSA-N 403.291 5.434 0 1 HKAF C=CC(=O)Oc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520754 BTBUYNRVPRRKCY-NDEPHWFRSA-N 424.496 5.566 0 1 HKAF Cc1c(C)c2ccc(OC[C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2oc1=O 587533857 XFUJOUCLOLUOFI-AREMUKBSSA-N 418.489 5.092 0 1 HKAF O=C1C[C@@]2(CCCc3nc(-c4ccccc4)sc32)Oc2c1ccc1c2CCCC1 587535456 KYKIJRXBXDUVQT-RUZDIDTESA-N 401.531 5.886 0 1 HKAF Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cccc1C(F)(F)F 587550308 UMVVQIUJEOUGAF-GHTZIAJQSA-N 400.352 5.422 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cc(Cl)ccc2n1 587551610 HONJWXWSQBBGQU-NZQKXSOJSA-N 403.821 5.297 0 1 HKAF CO[C@@H]1C[C@H](c2ccccc2)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587598115 AQBLKVYVYCBATE-WNVOBMFASA-N 416.473 5.075 0 1 HKAF CC1(C)CCc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2O1 587616639 LLZTZEDVPTXXQL-XUZZJYLKSA-N 402.446 5.199 0 1 HKAF CCOC(=O)c1c(Cc2cc(F)c(Cl)nc2Cl)[nH]c2c(C)cc(Cl)cc12 587624349 HATUOFCVSIKAIH-UHFFFAOYSA-N 415.679 5.738 0 1 HKAF COC(=O)[C@@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2c(C)cc(Cl)cc12 587624705 SDPQTTDSGZHRSC-FQEVSTJZSA-N 424.327 6.755 0 1 HKAF COC(=O)c1cc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccc(Cl)cc2)c[nH]1 587629148 WFKZFXHPILRATF-UHFFFAOYSA-N 403.240 6.063 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cc(Cl)cc2Cl)N1 587695892 SLIYSNNAWVCNSF-HYORBCNSSA-N 423.540 6.172 0 1 HKAF CC(C)C[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587703526 QSHWMMKYVYBCSL-XCLFUZPHSA-N 410.758 6.066 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2cccc(C(F)(F)F)c2)N1 587712256 KFXOXOSUAZXBAB-VOJFVSQTSA-N 416.256 5.599 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(F)(F)F)ccc2F)N1 587715945 YUTZVNXWJLLYID-XLFHBGCDSA-N 420.219 5.544 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2OC(F)(F)F)N1 587720811 NYJAXNVHEGJORE-BMLIUANNSA-N 418.228 5.285 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CC[C@H](C2)N3c2ccccc2)N1 587767874 JZXLVWSLEUVKLS-SIJHPFGISA-N 415.350 5.149 0 1 HKAF CCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CC 587791850 ISDXUFAVBQGMFD-YEJXKQKISA-N 406.339 5.563 0 1 HKAF CCCCOc1c(OC)cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587795337 RDSJQEAIZXKZPD-RNODOKPDSA-N 422.338 5.399 0 1 HKAF CCc1cccc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587815803 QIUNGALJDBKGCQ-FYSMJZIKSA-N 424.357 5.977 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)N[C@H]1CCCC[C@H]1C 587861504 RTKCFPSAKFJMOM-WBMJQRKESA-N 412.386 5.557 0 1 HKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587951335 SQEULJILDRJDFN-VCBZYWHSSA-N 423.395 6.407 0 1 HKAF CO[C@H](C)COC1CCC(c2nc3cc(Cl)cc(Br)c3[nH]2)CC1 587952495 SAWLSTGLBOTCQK-XSRFYTQQSA-N 401.732 5.057 0 1 HKAF COC(=O)c1cc2nc(/C=C(\C)C3CCCCC3)[nH]c2c(F)c1Nc1ccccc1 587968809 ULWNZLDGXJZWBX-FYWRMAATSA-N 407.489 6.216 0 1 HKAF CCc1ccc([C@@]2(c3ccnc(C)c3)c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1 962622275 BKUOSYIJKCCIJD-UZTOHYMASA-N 416.565 5.138 0 1 HKAF C[C@H](C(=O)c1ccccc1)[C@@]1(C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962629307 JKVMLZDBANVKKA-LQCMOVKCSA-N 410.561 5.168 0 1 HKAF CN1C(=O)C[C@@H]2CN[C@@H](c3ccc(-c4cccc(Cl)c4Cl)o3)c3cccc1c32 963020298 FIBHIUUKNOYKTA-VERVWZFWSA-N 413.304 5.396 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1ccc(NC2=N[C@H](CC)CS2)cc1 963241734 NTQCEHDJXFAHJY-IOZGHAEBSA-N 407.627 5.900 0 1 HKAF Nc1cc(-c2cccc(C(F)(F)F)c2)c(C(=O)c2cccc(Cl)c2Cl)s1 1857770596 ZCDLMUIVYRAXKQ-UHFFFAOYSA-N 416.251 6.554 0 1 HKAF Cc1ccc(C(=O)c2ccc3c(c2)c2ccccc2n3CC(F)(F)F)c2ccccc12 1857770657 QGCINUSCAQKZRG-UHFFFAOYSA-N 417.430 7.049 0 1 HKAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@]2(C)CC[C@H]2[C@H]3CC(C)(C)CC[C@@]3(C)CC[C@]21C 2356435044 PFZXVVZKPCFFPL-QBCJWGDKSA-N 412.702 8.067 0 1 HKAF CC(=CCN1[CH]N(C)c2ncnc(N)c21)CC[C@@]1(C)C2=C(CC[C@@H]1C)C(C)(C)CCC2 2356507134 PPRAJJACHIXBMX-AFMDSPMNSA-N 422.641 6.104 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@@H]3C(=CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@]34C)[C@@H]2C1 2356682025 DHMXQDJRIWEARK-SCYIXDDWSA-N 410.686 7.987 0 1 HKAF CC(C)CCN1CC2=C(CC[C@@H]3[C@]2(C)CC[C@@H]2[C@](C)(C(=O)O)CCC[C@]32C)C1=O 2356861753 UMWFLPKNTCIRHN-DTVDEITCSA-N 401.591 5.279 0 1 HKAF COc1cc2oc(=O)cc(-c3ccc(-c4ccc(C)cc4)cc3)c2c(OC)c1OC 13814121 GAUDGAGNQFFNCB-UHFFFAOYSA-N 402.446 5.461 0 3 HKAF Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cccc(OC(F)(F)F)c1 774778 GANAKRZTPDTODN-UHFFFAOYSA-N 410.779 5.132 0 1 HKAF O=S1(=O)c2ccccc2N[C@@H](c2ccc3ccccc3c2)C[C@H]1c1ccccc1F 1622406 SYCYJRTVAZFXCY-NOZRDPDXSA-N 417.505 6.051 0 1 HKAF CC(C)(C)c1noc(-c2cccc3ccccc23)c1C(=O)NCc1ccccc1F 2483721 NDKXXGKTAAYSTN-UHFFFAOYSA-N 402.469 5.861 0 1 HKAF COc1cc(O)c(C)c(O)c1C(=O)[C@@H]1CC=C(CCC=C(C)C)C[C@@H]1c1ccccc1 13410466 DJCRMQTYRMUEBG-FGZHOGPDSA-N 420.549 6.464 0 1 HKAF biogenic CCC(CC)COc1c(Br)cc(CCC(=O)O)cc1Br 13643212 XPHPCVACEUTRMZ-UHFFFAOYSA-N 408.130 5.044 0 1 HKAF CCCCN(CCCC)CCCOc1ccc(-c2cn3c(C)cc(C)cc3n2)cc1 13819546 BGFLLXIGKYNRPQ-UHFFFAOYSA-N 407.602 6.289 0 1 HKAF CC1(C)C=Cc2c(c(C(=O)c3ccccc3)c3oc(=O)cc(-c4ccccc4)c3c2O)O1 14765537 NYPHJSCHWLYHEU-UHFFFAOYSA-N 424.452 5.581 0 1 HKAF biogenic C=Cc1cc2cc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)ccc2cn1 14962589 ULDCYYUWMNGYMB-QHCPKHFHSA-N 420.516 5.370 0 1 HKAF CC(C)(C)C(=O)Oc1c2c(c(OC(=O)C(C)(C)C)c3cc(Cl)ccc13)OCO2 26254067 BARLWEBETYTEEN-UHFFFAOYSA-N 406.862 5.125 0 1 HKAF COc1ccc([C@@H]2[C@H](CCCC3CCCCC3)C(=O)N2c2ccc(OC)cc2)cc1 27198448 YPWXXNJGJPRLJU-LOSJGSFVSA-N 407.554 6.159 0 1 HKAF C[C@]12Cc3cn4c(nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@H]12)nc1ccccc14 27200758 FXJBFSBELBAUFO-PIKDBKLQSA-N 413.565 5.409 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CC(=O)c2cc(O)c(C)c(C)c2O1 27621973 JSNLQPVTHCMJDC-PPLYXMABSA-N 424.625 7.932 0 1 HKAF COc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3cccs3)C2)cc1 28062359 KBCWSCLHEIXDFZ-NRFANRHFSA-N 417.559 6.236 0 1 HKAF Cc1cc(C(=O)c2ccc(-n3ccnc3)cc2)ccc1OCCCCCCCC(=O)O 28397143 HGSFSJRFMVEEOL-UHFFFAOYSA-N 420.509 5.216 0 1 HKAF CN(c1nc2ccc(Cl)cc2s1)C1CCN(CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1 28957179 UISCOOHSDDPIMR-LPHOPBHVSA-N 416.034 5.843 0 1 HKAF O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1c(Cl)ccc2ccc(O)cc12 34342074 OTBWGGGWPKILAZ-UHFFFAOYSA-N 415.198 6.515 0 1 HKAF Fc1cc(F)c(-c2c(Cl)nc(-c3ccccn3)nc2NCC(F)(F)F)c(F)c1 40863495 PYOACZADEZQCJS-UHFFFAOYSA-N 418.728 5.251 0 1 HKAF CN(C)C1(c2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)co2)CCOCC1 43205397 ITIQMZFXZMFWED-UHFFFAOYSA-N 400.563 5.210 0 1 HKAF Cc1cc(N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)nc(Nc2ccccc2)n1 45194404 YTSUUTVRCVWNKQ-QHCPKHFHSA-N 423.520 5.191 0 1 HKAF CC(C)c1ccc(C(=O)C[C@H](C(=O)Nc2ccccc2)N2CCCCC2)c(C(C)C)c1 45392617 XSOPXIMOBJSKIN-RUZDIDTESA-N 420.597 5.999 0 1 HKAF O=C(O)c1cnc(NC(=O)[C@@H](CC2CCCC2)c2ccc(Cl)c(Cl)c2)s1 49088124 RKKJCQFKGLTEBD-LBPRGKRZSA-N 413.326 5.451 0 1 HKAF O=C1[C@@H](Cc2ccccc2)N=C(c2ccccc2)c2ccccc2N1Cc1ccccc1 66136339 IUTLMDNQFCPFLT-AREMUKBSSA-N 416.524 5.682 0 1 HKAF CCCCCn1c(-c2cccs2)nc2c(NCCCc3ccccc3)ncnc21 82179962 PKDOGKXZZNNAHS-UHFFFAOYSA-N 405.571 5.790 0 1 HKAF CC[C@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCc3ccccc3C)ncnc21 82180165 WIHUGLFWTYXBAU-INIZCTEOSA-N 419.960 6.113 0 1 HKAF CCCCC[C@H](O)/C=C/C=C/CC1(CC[C@@H](CCC(=O)O)CCC(C)C)CCCC1 85491023 PFPYIBQENNEECG-ABTUHRKNSA-N 420.678 7.688 0 1 HKAF biogenic,in-vitro CC(C)c1nc(SCc2ccc(-c3cccc(C(=O)O)c3)cc2)c2ccccc2n1 95602829 AOOLIMMEWWQVDK-UHFFFAOYSA-N 414.530 6.411 0 1 HKAF CCC(=O)N1CCc2cc(-c3csc(NC(=O)c4ccc(Cl)s4)n3)ccc21 95755373 WEEVYPRJMZWWPL-UHFFFAOYSA-N 417.943 5.076 0 1 HKAF CCCC[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(C)[C@@H](C4)[C@H]13 169369147 YLFVOHQBMMEFKC-CREXHCTBSA-N 414.549 5.409 0 1 HKAF C[C@@H]1C[C@@H]1c1cc(NC(=O)Nc2ccc(Br)cc2)n(-c2ccccc2)n1 204750263 QVWLWICBLLCJMQ-DYVFJYSZSA-N 411.303 5.402 0 1 HKAF CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1 224745971 UKNFDQATGIOBGI-UHFFFAOYSA-N 423.513 5.113 0 1 HKAF C/C=C(/CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 257380055 ARTLJRSXUMKHFS-NWPNQKFSSA-N 412.702 8.233 0 1 HKAF endogenous,in-man FC(F)(F)c1cccc(-c2nc3ccc(Nc4ccnc5ccccc45)cc3[nH]2)c1 299823920 BWQZUTQRCKKEJH-UHFFFAOYSA-N 404.395 6.541 0 1 HKAF C/C=C(/c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c1ccccc1n2CC 473087988 HCFHRVMHEKGQRL-KPSZGOFPSA-N 401.506 6.292 0 1 HKAF Fc1ccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCCO5)o3)cc2)cc1 473154590 IVSWHQBFHVZAQJ-UHFFFAOYSA-N 420.465 5.606 0 1 HKAF Cc1cc(C(=O)Nc2ccc(SC[C@H]3CCCN4CCCC[C@H]34)nc2)sc1C 504663963 LLEGXIBPNYQNBB-IEBWSBKVSA-N 415.628 5.369 0 1 HKAF biogenic FC(F)(F)Oc1cc(Br)c2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2c1 586883999 FZFGBUHXPZINPE-UGSOOPFHSA-N 423.232 5.596 0 1 HKAF CCc1oc2ccccc2c1-c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 586903943 OKFMAQJXJZHFMS-UHFFFAOYSA-N 412.445 6.117 0 1 HKAF Cc1ccc2c3c(c([C@@H](C)C(=O)O)c(-c4cccc(F)c4)nc13)-c1ccccc1C2=O 586995413 JTXGZZAWBKNHQI-CQSZACIVSA-N 411.432 5.749 0 1 HKAF COc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1C 587017871 QDSGKCUGNCORNU-UHFFFAOYSA-N 420.357 5.418 0 1 HKAF COc1cc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2cn1 587018596 JIQSMWBVWDGGBQ-UHFFFAOYSA-N 419.337 5.723 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(OC(F)(F)F)cccc4[nH]3)c21 587030932 MQKKYLCXLLECAF-GFCCVEGCSA-N 417.456 6.421 0 1 HKAF Fc1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1Br 587033114 SZHYVYZJFHLYFH-UHFFFAOYSA-N 402.292 5.472 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c2)c1 587049828 LZSBEOGGLXVDDM-UHFFFAOYSA-N 401.775 5.777 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(C)cc(C)c4[nH]3)c(Cl)cc12 587078404 PPQXJSHVXNVEQF-AWEZNQCLSA-N 410.901 6.032 0 1 HKAF CCCCCc1c(-c2ccc(O)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587100573 DKLQWWAYIAOVHJ-UHFFFAOYSA-N 407.513 6.860 0 1 HKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)c(F)cc2[nH]1 587113050 JKBJAASWSGECSH-SECBINFHSA-N 401.201 5.830 0 1 HKAF Cc1ccc(/C=C/c2nc3cc(Br)c(Br)cc3[nH]2)cc1F 587146223 DWAVCUWKZVATQL-SNAWJCMRSA-N 410.084 5.706 0 1 HKAF Fc1ccc(-c2cn3c(Cc4nc5c(Cl)c(Cl)cnc5[nH]4)csc3n2)cc1 587166434 SBVSZSNJTYWILE-UHFFFAOYSA-N 418.284 5.371 0 1 HKAF CC(C)[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328916 KTALBJGEQHCURB-LADGPHEKSA-N 410.872 6.095 0 1 HKAF Cc1cc(F)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl 587338312 WPVUDKMNVQWZFZ-JTHBVZDNSA-N 414.835 5.907 0 1 HKAF COc1cccc(-c2cc(-c3ccc(OC(F)F)cc3)nc3c2oc2ccccc23)c1 587360462 ONEHOVQRRAGFOP-UHFFFAOYSA-N 417.411 6.925 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccccc2NC(=O)C3)c1 587362033 CPWVLCKSYXZSQC-UHFFFAOYSA-N 406.441 5.818 0 1 HKAF COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCc1cccc(C)c1 587399314 JALDEWCQRYZEGX-HSZRJFAPSA-N 403.478 5.180 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ncc(Br)cc1Cl)CC2=O 587461774 YYZHNHYDBUJQSQ-SFHVURJKSA-N 410.695 5.036 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccco1)(c1coc3ccc(O)cc13)CC2=O 587479804 JFHGNIDEEPLFIE-XMMPIXPASA-N 404.418 5.299 0 1 HKAF O=C1C[C@@H](c2cccc(Oc3ccc(Cl)cc3)c2)Oc2c1ccc1c2CCCC1 587505163 YTWAXEBWVMXNLT-DEOSSOPVSA-N 404.893 6.718 0 1 HKAF Cc1c(Br)csc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610781 DVLBVSVUDHDBEA-YJBOKZPZSA-N 417.280 5.228 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OCC2CC2)N1 587701173 WOMBSVRFEXMYET-YBTHPKLGSA-N 424.741 5.654 0 1 HKAF CCO[C@H](C)c1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587794648 PEFDOUZVPHXASD-QTCYRWPVSA-N 406.339 5.483 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C=C(c2ccccc2)c2ccccc2)N1 587818741 JBMXOVAFPGOPFQ-UPCLLVRISA-N 422.341 6.295 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3nccs3)cc2)N1 587851152 AVYBLPIVEIYGKT-BBATYDOGSA-N 403.320 5.335 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2nccs2)N1 587851392 BOQSUOCIMBZJMD-ADLMAVQZSA-N 403.320 5.335 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccnc2c(C)c(Cl)ccc12 587869044 YWOWKTBWWUDBMV-UHFFFAOYSA-N 418.806 5.472 0 1 HKAF Cn1c(Cl)cnc1Cc1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923250 XXYCBDLAIPNJBS-UHFFFAOYSA-N 422.916 6.075 0 1 HKAF COc1ccc(CCCc2nc3cccc(OCc4ccccc4)c3[nH]2)c(OC)c1 587928338 DGNZHJDZGXCEAS-UHFFFAOYSA-N 402.494 5.334 0 1 HKAF C[C@@]1(c2ccc(O)cc2Cl)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962647825 WOXSFMJIJFUZKT-NLFFAJNJSA-N 404.941 5.056 0 1 HKAF Cc1ccc(C[C@]2(c3ccc(C)cc3)NCCc3cccc(-c4ccccc4)c32)cc1 962673428 YOCOBYUYDDWCKB-SSEXGKCCSA-N 403.569 6.602 0 1 HKAF Cc1ccc(-c2ccc(O[C@H](C)[C@]3(C)N[C@H](C(=O)O)Cc4cccc(F)c43)cc2)cc1 962898840 OZIKQYKJISNXQA-NPTLNSMLSA-N 419.496 5.083 0 1 HKAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](CCc2cccc(Cl)c2)(c2cccs2)N1 962903447 UWLDKNFFUKTTKS-UGKGYDQZSA-N 415.917 5.016 0 1 HKAF CN1C(=O)C[C@H]2CN[C@](c3ccc(Cl)c(Cl)c3)(C(C)(C)C)c3cccc1c32 963014872 ASYOKUMFUPASAV-XMHCIUCPSA-N 403.353 5.336 0 1 HKAF Cc1ccnc([C@]2(c3c(F)c(F)c(F)c(F)c3F)NCCc3c2sc(C)c3C)c1 963018091 DRUYPWCLRFQOCY-OAQYLSRUSA-N 424.438 5.201 0 1 HKAF O=C(O)[C@]1(Cc2ccc(-c3ccccc3)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963105225 IZTFEGVIDXQJQV-OZXSUGGESA-N 401.481 5.036 0 1 HKAF CN1CCc2c(Br)cccc2[C@@]1(c1ccccc1)c1ccc(Cl)nc1 963280838 PZAMELUFLYSPQT-OAQYLSRUSA-N 413.746 5.277 0 1 HKAF C[C@H]1CCCN(CCCCCCOc2ccc3c(c2)C(=O)C[C@@H](c2ccccc2)O3)C1 1857604595 HMZBNISOSPDRAV-IDISGSTGSA-N 421.581 6.064 0 1 HKAF C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 2356358428 ZQHLKKFDMULTFL-LAWTUVKMSA-N 412.614 5.922 0 1 HKAF CC=C(C)C(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@](C)(CC(=O)O)O[C@@]3(C)CC[C@H]12 2356515073 ZKBZRVVQDYSKMH-QSEFPGBPSA-N 420.590 5.521 0 1 HKAF C[C@H](CC(=O)CO)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 2356552201 IPALYVZOVKJMJG-GGTMQHDMSA-N 414.630 5.748 0 1 HKAF CC[C@@H](CC=C(C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356641195 HZYXFRGVBOPPNZ-HOIKMHIUSA-N 412.702 7.945 0 1 HKAF CC[C@H]1[C@@H](C[C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C1(C)C 2356668940 HRNVWBIKQMSFHI-PKUXWSRESA-N 412.702 7.635 0 1 HKAF C[C@@H]1CC=C[C@](C)([C@@H]2C[C@@H](Cc3cc(O)cc(CCCO)c3)CC3(CCCC3)C2)C1 2356729616 WAVVAHNLJRLTOM-BXDZISEESA-N 410.642 6.829 0 1 HKAF COc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)sc3ccc(OC)cc23)cc1 61969029 TVWHALYZTHRPIO-UHFFFAOYSA-N 424.543 5.656 0 3 HKAF CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 3978782 HCXVJBMSMIARIN-LMFDJDCWSA-N 412.702 7.801 0 1 HKAF CC1(C)CCC(C)(C)c2cc3c(cc21)nc(-c1ccc(C(=O)O)cc1)n3-c1ccccc1 13651738 RFIZTWFLWRJODC-UHFFFAOYSA-N 424.544 6.740 0 1 HKAF CCCC[C@@H]1c2c(nc3ccccc3c2-c2ccccc2)C(=O)N1Cc1ccccc1 13765026 XHACLXKNCUGNGZ-XMMPIXPASA-N 406.529 6.789 0 1 HKAF Cc1cccc(OCCCn2cnc(-c3ccccc3)c2)c1NC(=O)NCCC(C)C 13827826 YAUKCBSMGWRVBQ-UHFFFAOYSA-N 420.557 5.495 0 1 HKAF O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc(-c4ccccc4)cc3)ccc21 14977013 FBCPHTWVGJEMIA-QFIPXVFZSA-N 402.490 5.706 0 1 HKAF CCCC[C@H](O[C@H]1CCCCO1)c1cccc(OCc2ccccc2C(=O)OC)c1 25991712 TZFTXDYHWLEEGK-ZEQRLZLVSA-N 412.526 5.827 0 1 HKAF CC/C(=C(\c1ccccc1)c1cccc(OC(C)=O)c1)c1cccc(OC(C)=O)c1 26016310 KRVOETGNAOWQLC-QPLCGJKRSA-N 400.474 5.906 0 1 HKAF O=C1S/C(=C\c2sc(Cl)nc2Cl)C(=O)N1Cc1ccc(Cl)cc1 28650459 WGKHZPQWABVYOX-YHYXMXQVSA-N 405.715 5.340 0 1 HKAF CN(C)C12C[C@H](OC(=O)C(C)(C)C)C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 28863140 QTJGCUCNGLCPFR-MNEXFEESSA-N 405.582 5.626 0 1 HKAF CN1CCC[C@H]1CCNc1nc(Nc2ccc(C(F)(F)F)cc2)nc2ccccc12 29209822 JQGZPCAXLGHKLJ-KRWDZBQOSA-N 415.463 5.288 0 1 HKAF CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)C2=S)cc1 40395391 QITVQLKUTGYQNX-UHFFFAOYSA-N 422.594 5.165 0 1 HKAF C[C@H](c1ccccc1)N1CCC(N[C@@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72101427 PSQZBUSVRQAYIV-CJAUYULYSA-N 423.963 5.779 0 1 HKAF CCCC/C=C\CCCCCCCCCCCCCCCc1cc(O)cc(O)c1 72170833 CJTCBXDFRDMBJW-WAYWQWQTSA-N 402.663 8.848 0 1 HKAF C(=C\[C@H]1CCCN1Cc1ccccc1)\CCCN1CCC2(CC1)NCc1ccccc12 73072975 LSDFJSYOCQOIOD-FSWNQMPESA-N 415.625 5.082 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccc(C)o2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82185074 CBCJGXWULQLRTH-CQSZACIVSA-N 409.921 5.706 0 1 HKAF COc1ccc(CCCC(=O)Nc2cc3c(cc2C)C(C)(C)CCC3(C)C)cc1OC 84655251 YUGQXVPXKVCNPT-UHFFFAOYSA-N 423.597 6.323 0 1 HKAF CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccc(OC)cc1 84796265 VWNDFHUIELAMMX-RQZHXJHFSA-N 417.549 5.710 0 1 HKAF COc1ccc(C2=NN(C(C)C)C(=O)C2(C)C)cc1OCc1cccc2ccccc12 95552960 XVWDFIAUUSDHTN-UHFFFAOYSA-N 416.521 5.408 0 1 HKAF CCOC(=O)c1ncn2c1CN=C(c1ccc(Cl)cc1)c1ccc3ccccc3c1-2 95554590 OLCFVZAAUQHMLE-UHFFFAOYSA-N 415.880 5.207 0 1 HKAF Cc1ccc([C@H]2N(c3ccccc3)C(=O)c3ccccc3N2C(=O)c2ccccc2)s1 95583321 GCMPFCGNTGDZNH-DEOSSOPVSA-N 424.525 6.063 0 1 HKAF O=C(C1CC1)[C@H](c1ccccc1F)N1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O 103264287 IIKYIVIKZANPRL-PNDHZVEESA-N 415.873 5.236 0 1 HKAF FC(F)Oc1ccc(-c2ccc3c(c2)CNC[C@@H]3c2ccc(Cl)c(Cl)c2)nn1 114515078 GMTDFEZUDHTSAN-OAHLLOKOSA-N 422.262 5.287 0 1 HKAF CCCCCCCNC(=O)Oc1cccc(-c2ccc([C@H](C)C(=O)O)cc2F)c1 143603259 OXPBQFRXFBRBJC-INIZCTEOSA-N 401.478 5.740 0 1 HKAF O=S(=O)(c1cccc2ccccc12)N1N=C2CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 169296522 PFSBBKSUGSPKCV-REWPJTCUSA-N 408.498 5.271 0 1 HKAF O=C(c1ccccc1)[C@H]1[C@@H](C(=O)c2ccccc2)C12c1ccccc1-c1ccccc12 169575736 GTQRVMMXZJAXJE-WMPKNSHKSA-N 400.477 5.965 0 1 HKAF CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)[C@@H]2C(=O)CC(C)(C)CC2=N1 169724257 LVJNXLPLFAZAJC-GOTSBHOMSA-N 420.940 5.796 0 1 HKAF CCCc1ncc(Cc2ccc3oc4ccccc4c3c2)c2cc(OC)c(OC)cc12 205655668 SQBVSDMWUGZRBP-UHFFFAOYSA-N 411.501 6.695 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CCC5=C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 255208237 DWCSNWXARWMZTG-VKROHFNGSA-N 414.630 5.714 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3C(=CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@H]1C[C@@H]3O 257430036 GVYKPOLJSCOPHA-QYVRXNPUSA-N 414.674 6.670 0 1 HKAF endogenous,in-man Cc1cc(-c2n[nH]c3c(F)c(NC(=O)N[C@H](C)c4ccc(F)cc4)ccc23)ccn1 261132829 LOCTZRGWTXCSCJ-CYBMUJFWSA-N 407.424 5.094 0 1 HKAF Cc1cc(Br)c2c(c1)[C@@H]1CCN[C@@H](Cc3cccc4ccccc34)[C@H]1N2 299809741 SXUYSGJPFRBFEI-HARLFGEKSA-N 407.355 5.393 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 299872596 JQMQKOQOLPGBBE-RUBZWNKPSA-N 402.663 6.648 0 1 HKAF N=C1N[C@@](c2cc(Nc3coc4cc(Cl)ccc34)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 473213498 RWEUGJXOBLKFLH-WSXQUGQNSA-N 421.806 5.372 0 1 HKAF Fc1cc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2cc1Cl 586966402 MJDJOEMVOOFMAO-UHFFFAOYSA-N 413.909 5.165 0 1 HKAF Cc1ccc(-c2nc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)cs2)o1 587017058 RJBUEVNYSQMKHK-UHFFFAOYSA-N 417.334 6.292 0 1 HKAF Brc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 587043519 ZTWURVHFHNCKTR-UHFFFAOYSA-N 407.358 5.383 0 1 HKAF CCc1cc(OCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)ccc1Cl 587052710 JDTHDOZBYKQVOK-UHFFFAOYSA-N 422.756 6.395 0 1 HKAF CC1(C)c2nc3cccc4c3c(c2CCN1Cc1ccccc1)-c1ccccc1C4=O 587105142 QDMXQHCLFISBGV-UHFFFAOYSA-N 404.513 5.740 0 1 HKAF CCOc1cc(/C=C\c2nc3cc(C)c(Br)cc3[nH]2)ccc1OC(F)F 587130086 JVRCSFGBZUAVSL-ALCCZGGFSA-N 423.257 5.804 0 1 HKAF CCCCCOc1cc2nc(/C=C/c3ccc(C)c(F)c3)[nH]c2cc1Br 587146128 AJTPXOZVQAQZJT-CMDGGOBGSA-N 417.322 6.512 0 1 HKAF Fc1ccc(/C=C(/c2nc3ccc(Br)nc3[nH]2)c2cccs2)cc1 587162527 CPKKLKUNJXQEHO-JLHYYAGUSA-N 400.276 5.510 0 1 HKAF O=C(CCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)cc1 587163558 RJNPVRSGUSXEEA-UHFFFAOYSA-N 415.184 5.299 0 1 HKAF O=c1c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587171768 SEZJGPQVIDDXPD-UHFFFAOYSA-N 423.316 5.316 0 1 HKAF Cc1cc(Br)cc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 587220409 RSHKFIREAOILHL-FQEVSTJZSA-N 420.310 5.153 0 1 HKAF CN(C)c1cc(F)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336622 QTWRQKWMTKHVAQ-VWNXMTODSA-N 409.432 5.011 0 1 HKAF CC1(C)CCc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587352376 IXYWQBSJZVNBLG-ZEQKJWHPSA-N 402.465 5.758 0 1 HKAF CCOc1ccc([C@]2(c3ccc(Cl)c(N)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587375713 OJCYMGQUYHYONQ-DEOSSOPVSA-N 422.912 5.121 0 1 HKAF COc1cc2c3c(c1)O[C@@]1(CCCCC[C@H]1c1ccccc1C(F)(F)F)[C@@H](C2)C3=O 587422864 VLNZDGPOZSTLQP-WCAVRKLYSA-N 416.439 5.948 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc(C(F)(F)F)c4)cc1)[C@@H](C2)C3=O 587423165 RVUUEPORFLIVKW-CVDCTZTESA-N 410.391 5.870 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccccc1Sc1ccc(Cl)cc1)[C@@H](C2)C3=O 587451006 HUPJNHXENDNUGZ-FDDCHVKYSA-N 408.906 5.989 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(F)c(C(F)(F)F)c(F)c1)CC2=O 587462791 SYXWIXGLZQHJTQ-LJQANCHMSA-N 400.343 5.522 0 1 HKAF CCOC(=O)C[C@@]1(c2ccc(Cl)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587505372 MMNYLYHTEOPOHR-HSZRJFAPSA-N 416.876 5.172 0 1 HKAF O=C1C[C@@H](c2c(F)ccc(C3OCCO3)c2Cl)Oc2c1ccc1c2CCCC1 587510147 ZDTOTLTUEZXLQU-SFHVURJKSA-N 402.849 5.110 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2cccs2)n1 587614215 RUAHPWGCMVXHHY-YLJYHZDGSA-N 407.472 5.280 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CN2CCCCC2)s1 587615099 VQJJRFITNAQGKZ-XUZZJYLKSA-N 421.518 5.143 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cccc(OC(F)F)c3)c2c1 587639702 BSOKFRQLIRVPQY-LLVKDONJSA-N 411.370 6.533 0 1 HKAF CC[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587709623 BTYQLINKXHGDRY-ZMZPIMSZSA-N 416.256 5.795 0 1 HKAF COc1cc(C(F)(F)F)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587714148 VEODZZQOGBINPS-VVVCHXIZSA-N 418.228 5.239 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3F)s2)N1 587728104 RADYSJVQKZJTAE-GIPWTMENSA-N 420.322 6.079 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ccc(F)cc3)n2)N1 587735364 PNAFVENXGKPNTN-XTZNXHDOSA-N 421.310 5.474 0 1 HKAF Cc1cc(C)c(-n2cccn2)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587756327 DBFSDQJQJVVVMA-VBKZILBWSA-N 414.322 5.014 0 1 HKAF Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1C 587756488 RQVIBASZEJVCAR-GTJPDFRWSA-N 401.323 5.186 0 1 HKAF CCCCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587797052 VHQZHIBGLKALGG-QKKBWIMNSA-N 406.339 5.781 0 1 HKAF COc1cccc([C@@H]2CCCC[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)c1 587810682 UDWRMMPCXACPST-VELBRHGASA-N 418.350 5.684 0 1 HKAF COc1ccc(C(C)(C)C)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587810987 YSZXXTDDIUJXAI-MPBGBICISA-N 406.339 5.518 0 1 HKAF CC(C)Sc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587842764 GEAQNIJYCBRUPK-XCLFUZPHSA-N 408.380 5.886 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc3ccc(Cl)cc23)N1 587859109 VRHOWTXTBAERSK-DYBLOJMWSA-N 410.739 6.080 0 1 HKAF COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(-c2ccc(N)cc2)c1O 587940777 JYJSTWXOBOOLPT-UHFFFAOYSA-N 422.868 5.592 0 1 HKAF Fc1cnc(N2CCCCC2)nc1-n1c(-c2cccs2)ccc1-c1cccs1 587946512 VQXZNSMNJIXKQX-UHFFFAOYSA-N 410.543 5.854 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3cncnc3)c2)cc(-c2ccc3ncsc3c2)n1 653667722 CHYATBUGJUANBQ-HNNXBMFYSA-N 424.533 5.692 0 1 HKAF C[C@@H](CCCNc1ccnc2cc(Cl)ccc12)NCC12CC3CC(CC(C3)C1)C2 653715974 CRQKKSDHSTWOGY-SELVFMLMSA-N 412.021 6.275 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1cc(C(C)=O)c[nH]1)C(Cl)(Cl)Cl 963235028 FIAHUXAERDIUKZ-YJYMSZOUSA-N 413.776 5.488 0 1 HKAF Cc1[nH]nc2ccc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3-c3ccoc3)cc12 1772575759 WETMJOLJDWHLRW-DEOSSOPVSA-N 410.477 5.339 0 1 HKAF CCC[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cccc3C)c2)s1 1772611938 DLEBSQDDUPENEZ-FQEVSTJZSA-N 408.563 6.969 0 1 HKAF Nc1cc(C(=O)c2ccccc2C(=O)O)ccc1Sc1ccc(Cl)c(Cl)c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c1ccc(NC(=O)[C@@]2(C)CCN2C(=O)CC(c2ccccc2)c2ccccc2)cc1 61898355 KPMIRRLHWDLBIJ-HHHXNRCGSA-N 412.533 5.147 0 3 HKAF CCOc1ccc(Cl)cc1-c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)[nH]n1 61927276 MGNAOHBPQNEEPA-UHFFFAOYSA-N 423.822 5.078 0 3 HKAF CCCCNc1c(-c2ccc(-c3cccc(Cl)c3)cc2)nc2ccc(Cl)cn12 61959708 YFBUGZYEKWMSBA-UHFFFAOYSA-N 410.348 7.187 0 3 HKAF CC(C)(CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O 13729714 WFPFILGYCCUVGQ-UHFFFAOYSA-N 417.549 6.856 0 1 HKAF CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1 13794223 NYUOBVIALFMKHV-UHFFFAOYSA-N 414.591 5.153 0 1 HKAF Cc1nc2cccc(Cl)c2c(N)c1COCc1cccc(C(=O)C(F)(F)F)c1 13864121 YSONJPZYKXRMSA-UHFFFAOYSA-N 408.807 5.241 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C 38990865 YOKYCJJGBUSVGT-PAKNFTMTSA-N 412.658 6.712 0 1 HKAF CC[P@@](=O)(Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1)OC 40914997 BQATZQQVKCHLGZ-MHZLTWQESA-N 414.467 5.694 0 1 HKAF Cn1cncc1C(=O)Nc1ccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)cc1 45301658 WICPBVUEONJZDN-UHFFFAOYSA-N 411.440 5.022 0 1 HKAF O=C1C[C@@H](C(F)(F)F)Cc2nc3c(Br)cc(Br)cc3cc21 45497760 FULABHNTLGHPON-ZETCQYMHSA-N 423.026 5.067 0 1 HKAF O=C(Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1)c1cccc(Cl)c1 49792736 ZWWFSRSMPOHALG-UHFFFAOYSA-N 408.929 5.747 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 64220350 DDJMOMHMVFXEQF-VONQUIIOSA-N 400.691 7.923 0 1 HKAF endogenous,in-man O=C(c1ccncc1)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccc(Cl)cc1 64504053 CRIZRAGWKRAOCP-HXUWFJFHSA-N 401.853 5.473 0 1 HKAF Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)C=C[C@@H](c4ccccc4)[C@H]3C2=O)c(C)c1 68581331 ZKCYYMMKCWZZJI-DXQXWHQDSA-N 407.513 5.546 0 1 HKAF biogenic COc1cccc(CNc2cncc(Oc3ccc(OC)c4ccccc34)n2)c1OC 82068666 DDDPCOLNRIGTEM-UHFFFAOYSA-N 417.465 5.060 0 1 HKAF CCCCNc1nc(NCc2ccc(Cl)cc2)nc2cc(OC)c(OC)cc12 82129991 QQCVBQZCJDSJIW-UHFFFAOYSA-N 400.910 5.125 0 1 HKAF CC[C@H](C)Cn1c(C2CCCCC2)nc2c(NCCc3cccc(F)c3)ncnc21 82179594 ZDRJRDKYTGZTEV-KRWDZBQOSA-N 409.553 5.714 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccsc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188255 GGKXTGYUHDAGIJ-IAGOWNOFSA-N 405.571 5.817 0 1 HKAF CC1(C)CCc2c(c3ccccc3c3nc(-c4ccccc4Br)[nH]c23)O1 95576788 QKRNKYLBPULTAX-UHFFFAOYSA-N 407.311 6.249 0 1 HKAF Nc1c2c(nc3c1[C@@H](c1ccc(F)cc1)c1c(c4ccccc4oc1=O)O3)CCCC2 96284150 DHAXWBWQDZCBTC-LJQANCHMSA-N 414.436 5.074 0 1 HKAF Fc1ccc2[nH]cc([C@H]3CC[C@H](N4CCN(c5cccc6[nH]ccc56)CC4)CC3)c2c1 101004112 DOLPIUHNWIPHSB-PUZFROQSSA-N 416.544 5.637 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)N1[C@H]2CC[C@@H]1C[C@H]([S@@](=O)c1ccccc1)C2 103097131 BPWKPRCUECQNRN-BPWSMKFQSA-N 422.472 5.041 0 1 HKAF C1=C\CN(CC2CC2)Cc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/1 137310803 OJPZPHHRLPRKHR-UPHRSURJSA-N 412.537 5.438 0 1 HKAF COc1ccc(C(=O)/C=C/c2cccc(Nc3ccnc4cc(Cl)ccc34)c2)cc1 139583590 USJXOUQFTMXFGK-LFYBBSHMSA-N 414.892 6.537 0 1 HKAF CC(C)[C@@]12CC[C@]3(C4=C1Cc1[nH]c5ccccc5c1C4)[C@@H](O)CC[C@@H](C)[C@]3(C)CC2 139793923 ARUCPINIFJXYOH-ZARMMOAGSA-N 403.610 6.577 0 1 HKAF Cc1ccc2c(c1)N[C@H](c1ccccc1C(F)(F)F)[C@@H]1C(=O)CC(C)(C)CC1=N2 169722106 ZUCHWKPGLUKNAN-LEWJYISDSA-N 400.444 6.258 0 1 HKAF C[C@@H](N=O)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 169728267 DVWPVYUBVOIVPW-LLVKDONJSA-N 413.827 6.243 0 1 HKAF CN(c1ccccc1)c1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1 205309838 JCRYTUQIIQSGPM-UHFFFAOYSA-N 403.913 5.562 0 1 HKAF C[C@H]1CC[C@]2(C)[C@@H](C)CC[C@@H](O)[C@@]23CC[C@H]2[C@@H](c4c[nH]c5cccc(c45)C2(C)C)[C@@H]13 238747944 TYGWKVZJNJYVND-FKNAKJAJSA-N 405.626 6.782 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1C=C[C@H]2[C@@H]3CC[C@H]4[C@@H](CO)CC[C@]4(C)[C@H]3CC[C@]12C 238772323 KXWXWGQKFMWWAF-BAENYUHTSA-N 400.691 7.348 0 1 HKAF CC(C)=CCC[C@H](C)/C=C/c1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2 238779320 GVSKSNRAUGVYDK-UBCDHLAQSA-N 408.494 5.906 0 1 HKAF CC[C@H]1C=C2NC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]3[C@H](C)CCCC(C)C)[C@H]12 261187939 YBSFMQHCAIWRPP-VWBLKACDSA-N 413.690 7.348 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1C(=O)N([C@@H](C)c2ccccc2)[C@@H]1c1ccc(F)cc1 299831439 DTIKFMURDOUUOM-QMPCEUKMSA-N 423.572 6.316 0 1 HKAF O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1 473119836 MRCYIBGVKYPKAF-UHFFFAOYSA-N 412.577 5.428 0 1 HKAF Oc1ccc(-c2nc(-c3ccc(N(Cc4ccccc4)c4ccccc4)cc3)no2)cc1 473151558 QIEXFCOPRJZBMS-UHFFFAOYSA-N 419.484 6.448 0 1 HKAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 586885154 AEONIFXCHAQYGW-QLJPJBMISA-N 413.237 5.490 0 1 HKAF COc1ccc2c(C)c(CCc3nc4cccc(C(F)(F)F)c4[nH]3)c(=O)oc2c1C 586918816 PTZRNSQXECDPGI-UHFFFAOYSA-N 416.399 5.099 0 1 HKAF COc1ccc2c(C)c(CCc3nc4ccc(C(C)(C)C)cc4[nH]3)c(=O)oc2c1C 586918886 RZYSMZSRIWBQAE-UHFFFAOYSA-N 404.510 5.377 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2cc3c(cc2[nH]1)OCO3 586981209 FJZHJUPWMSINAR-UHFFFAOYSA-N 417.303 5.680 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)CCc1c-3nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990513 YJHKLKMTDTVMLV-UHFFFAOYSA-N 402.453 5.707 0 1 HKAF Cc1c(Br)ccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c12 587019238 KMTGNFIRNPOGQU-UHFFFAOYSA-N 423.336 5.028 0 1 HKAF Cc1cc(Cl)ccc1OCCCc1nc2cccc(OCc3ccccc3)c2[nH]1 587066089 HTLZQIGCICGLOE-UHFFFAOYSA-N 406.913 6.115 0 1 HKAF Clc1ccc2ccc(-c3nc4cc(Oc5ccccc5)ccc4[nH]3)nc2c1Cl 587083355 PWOLMCSDEJGOOQ-UHFFFAOYSA-N 406.272 6.877 0 1 HKAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587128165 HXXMSLATVXFGKY-UHFFFAOYSA-N 419.456 7.083 0 1 HKAF O=C(c1nc2c(Br)cc(F)cc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133678 ZFTGMKFUWJXXHJ-UHFFFAOYSA-N 406.013 5.141 0 1 HKAF Cc1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)ccc1-c1ccc(C(=O)O)c(F)c1 587145598 ZTDUBHFYWHPPAB-UHFFFAOYSA-N 418.424 5.204 0 1 HKAF Fc1cc2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc2cc1Br 587150453 QHMHLLGEHDEMFE-LJQANCHMSA-N 414.253 5.805 0 1 HKAF Fc1cc(Br)cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 587196662 UUTTZKPJIASBTL-UHFFFAOYSA-N 410.290 5.671 0 1 HKAF CC(C)[C@@H](c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)N(C)C 587198986 UJDPISBUSQZBMU-SFHVURJKSA-N 404.436 5.093 0 1 HKAF Cc1ccccc1N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587337198 BGWMNHUMLYGBQB-XMMPIXPASA-N 417.480 5.238 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2ccco2)[C@H]1c1ccc(F)cc1 587337505 RUAWXWOYEMSUHN-UKILVPOCSA-N 418.395 5.566 0 1 HKAF Cc1c[nH]c2c1[C@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351198 ZDZLTHYLWZCVRQ-RDGATRHJSA-N 405.469 5.395 0 1 HKAF CC1(C)[C@H](c2ccccc2)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587352866 JZCYMWRDUHMHGG-KJOQGJGQSA-N 402.465 5.843 0 1 HKAF CC[C@@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587375274 MDYXUVUWVQFEOV-CTNGQTDRSA-N 402.874 5.911 0 1 HKAF Cc1nc(C2CC2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587376280 PIPMJTZHIAZZDR-XXBNENTESA-N 409.482 5.448 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(CCc1c(C)nc4ccc(C)cc4c1Cl)[C@@H](C2)C3=O 587420213 HQZHBLVMHUSVMN-DFBJGRDBSA-N 421.924 5.653 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1OC(C)C)CC2=O 587457626 LORFHQDQVHRZKL-HXUWFJFHSA-N 419.315 5.601 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccc(Cl)cc1)(c1ccccn1)CC2=O 587462934 RNKNFDFMHNSZPI-XMMPIXPASA-N 407.897 5.497 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCF)(c1ccccc1Br)CC2=O 587466159 MITNTXBPBHLZDQ-HXUWFJFHSA-N 407.279 5.328 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cc(F)cc(Cl)c3)cc1)CC2=O 587469191 XOMHUBMZOJKLCE-HSZRJFAPSA-N 410.872 6.511 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccccc3)c3ccccc13)CC2=O 587474689 GPSPNSHNWDBUFK-SANMLTNESA-N 411.501 6.054 0 1 HKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1cc(Br)ccc1NC21CC1 587497721 MEAKUYCMLWPMGF-JOCHJYFZSA-N 410.311 5.147 0 1 HKAF O=C1C[C@H](c2c[nH]nc2-c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587506492 JUJLNTNCRKIVHL-HXUWFJFHSA-N 412.411 5.681 0 1 HKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(Br)=COc1cc(F)ccc12 587509448 RWZFOCYCYRDKEV-NRFANRHFSA-N 415.258 5.194 0 1 HKAF C[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558319 WJSLOKZDIZJBOT-WIYYLYMNSA-N 416.351 5.168 0 1 HKAF CCCCOc1cc2nc(COc3cc(C)cc(C)c3)[nH]c2cc1Br 587565144 YNYSFONBRASDRD-UHFFFAOYSA-N 403.320 5.700 0 1 HKAF Cc1cc(F)ccc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587566902 BSNMDJLIZXDTDI-DHLKQENFSA-N 416.404 5.803 0 1 HKAF CCCOc1cccc(Cc2nc3cc(OCCC)c(Br)cc3[nH]2)c1 587568018 JQGLJJMVPLDVLW-UHFFFAOYSA-N 403.320 5.494 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2cccs2)c1 587613818 QSBZSQZXUFSBOF-URXFXBBRSA-N 400.455 5.824 0 1 HKAF CCc1c(-c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[nH]c2cc(Cl)c(F)cc12 587628710 UAURLOSNMZYMHI-UHFFFAOYSA-N 408.087 6.071 0 1 HKAF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 587630092 REAXDMYHPLODPT-UHFFFAOYSA-N 405.178 6.193 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C)c(Cc3c(C)nc4ccc(OC)cc4c3Cl)c2c1 587642503 STEUBDVQGOAXRG-CQSZACIVSA-N 406.957 7.099 0 1 HKAF CC[C@H](C)n1nc(C)c(Cl)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587694266 GLHVRDPJSJEUQQ-YMNVWFMLSA-N 414.750 5.341 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2ccccc2Cl)N1 587697878 PLSCBWCCIJFLPD-MGNBDDOMSA-N 420.713 5.255 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2C(F)(F)F)N1 587712831 QYQOIJAOLZFIMV-BCTVWOGZSA-N 406.192 5.370 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC=C2NNc2ccccc2)N1 587751592 YKDLOKGIIHNUAE-QKKBWIMNSA-N 416.338 5.002 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C2/N(C)c3ccccc3C2(C)C)N1 587768479 KFLZCAJXOYZIBX-KGOMVVCDSA-N 415.350 5.475 0 1 HKAF CCc1ccc(-c2c[nH]nc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587789124 ACEQLTFSWWGBCK-MPBGBICISA-N 414.322 5.164 0 1 HKAF CCOc1cc2c(cc1[C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)CCC2 587801153 JDAPUTDUUGUGPV-GTJPDFRWSA-N 404.323 5.099 0 1 HKAF CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C/[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813341 BUWBDKUUDKUAFG-CPMSUSBQSA-N 420.410 6.522 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccnc(Br)c1 587857668 TZJAYFDFVRMWRQ-UHFFFAOYSA-N 413.102 5.402 0 1 HKAF Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874368 XJRDTIHMZROWOW-QMMMGPOBSA-N 414.746 4.873 0 1 HKAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 587931568 ARYOCKUWBUOBLC-HXUWFJFHSA-N 400.375 5.910 0 1 HKAF CC1(C)COC(c2cccc(-n3c(O)cc(-c4c(Cl)cccc4Cl)c3O)c2)=N1 587936391 CQXNAETWSDRKAC-UHFFFAOYSA-N 417.292 5.418 0 1 HKAF COc1ccccc1Oc1c(Cl)cccc1-n1c(OC(C)C)ccc1OC(C)C 587940845 KMTSRLGSVIAOTD-UHFFFAOYSA-N 415.917 6.506 0 1 HKAF Cc1ccccc1C(C)(C)c1nc2c(Br)cnc(Br)c2[nH]1 587955123 KOCUCENZUOBHTD-UHFFFAOYSA-N 409.125 5.117 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c(C)nccc2[nH]1 587958220 CGNSVZCGWLSAGM-ZACMJQCDSA-N 417.641 8.121 0 1 HKAF Cc1ccccc1-c1ccc(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 587959435 NMIWZHRBYHGLNM-UHFFFAOYSA-N 413.265 6.170 0 1 HKAF Clc1cc(Cl)cc(-c2nnc(/C=C/c3ccc(Br)s3)o2)c1 653798104 VDDAZRCUPSJXEM-DUXPYHPUSA-N 402.100 6.038 0 1 HKAF CNc1nc(SCC(=O)c2ccc(Cl)cc2)nc2sc3c(c12)CCCCC3 958066004 JHBLNUPJXXSWFY-UHFFFAOYSA-N 417.987 5.630 0 1 HKAF Clc1ccc2[nH]cc([C@H]3c4ccccc4C[C@@H]4CN(c5ccccc5)CCN43)c2c1 962629936 CWODILPAARHZKF-QFQXNSOFSA-N 413.952 5.658 0 1 HKAF Fc1cccc(C[C@@]2(c3cccc(F)c3)NCCc3cc(-c4ccccc4)ccc32)c1 962669954 SZLSROUNZNMOGF-NDEPHWFRSA-N 411.495 6.264 0 1 HKAF CC(C)CCN1C(=O)[C@@]2(c3ccccc31)c1ccsc1CCN2Cc1ccco1 962702661 GDOAEAZXJQEOII-XMMPIXPASA-N 406.551 5.036 0 1 HKAF FC(F)(F)c1cccc2c1[C@@H](c1cc(Cl)cc3c1OCC3)NCC21CCOCC1 962953174 IARIOGCCDZWMKA-LJQANCHMSA-N 423.862 5.035 0 1 HKAF CC[C@H](C)[C@@H]1CCCC[C@@]12N[C@H](C(=O)O)Cc1ccc(Cl)c(C(F)(F)F)c12 963184353 RCYFCRDDODMVCX-KNNTWTGDSA-N 403.872 5.389 0 1 HKAF COc1cc(-c2ccc(O)cc2)c(OC)c(OCC=C(C)C)c1-c1ccc(O)cc1 1857647226 WABOLQNKYNTWQR-UHFFFAOYSA-N 406.478 5.794 0 1 HKAF Oc1ccc(Cl)cc1-c1cncn1Cc1cc2cc(Br)ccc2[nH]1 1857746005 OHQWRWBATWFKHD-UHFFFAOYSA-N 402.679 5.201 0 1 HKAF CN(Cc1ccc2[nH]ccc2c1)C(=O)CCc1cccc(-c2cc3ccccc3[nH]2)c1 1911573512 JMMZMLKAVKOMEC-UHFFFAOYSA-N 407.517 5.907 0 1 HKAF CCC(=CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356540761 JNYKCGNCXSSXEF-XAPRCGGASA-N 412.702 7.945 0 1 HKAF CC=C(C)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CCC(C)=CC(=O)O)C(C)=CC[C@H]12 2356577373 BSBLTGZOARUDJS-KZKYLIHBSA-N 402.575 6.086 0 1 HKAF CC=C(C)[C@H](CC=C(C)CC=CC(C)=CCc1nc(OC)c(OC)c(O)c1C)OC 2356600601 QTBUSGOHOPZBHZ-QFIPXVFZSA-N 415.574 5.866 0 1 HKAF CC(=CCCC=C(C)CC[C@H](O)C(C)(C)O)CCC=C(C)CC[C@@H](O)C(C)(C)O 2356708116 FEBMZCYYLLUVSK-XZOQPEGZSA-N 410.639 5.210 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4[C@H](CCCC4(C)C)[C@@H]3C(=O)C[C@@]12C 2356751169 MQKIXGKQVTWMES-KZCMUJPSSA-N 410.686 8.153 0 1 HKAF COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4cc[nH]n4)ccc3n2C)c1 36388840 NRVTZAOZLYXAKX-UHFFFAOYSA-N 415.518 5.981 0 3 HKAF COc1ccc(Oc2nc3c(N)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc1 1654504 WZQSXIXWYZTSCR-UHFFFAOYSA-N 411.383 5.699 0 1 HKAF CCOc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@H](C)C(C)C)cc1 2481830 NJKJQCXZEMGCBI-OAHLLOKOSA-N 412.917 5.835 0 1 HKAF O=C(O)CC/C=C\C[C@@H]1CO[C@H](c2ccc(C(F)(F)F)cc2)O[C@@H]1c1cccnc1 13740454 XOQYYYDNOJHZEH-BISBTHFYSA-N 421.415 5.314 0 1 HKAF COc1ccc(-c2c(-c3ccccc3)c(C)nc3nc(S)[nH]c(=S)c23)cc1OC 17251950 IXUURIARIZHRJA-UHFFFAOYSA-N 421.547 5.636 0 1 HKAF C[C@@H](O)c1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1cccc2ccccc12 26569742 VUGWJNFNAADKDN-XLIONFOSSA-N 400.497 5.881 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@@H](C)C[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 28758929 XUTZDXHKQDPUMA-JAQQKDSHSA-N 415.706 7.174 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C=C1C[C@@H]3O 39181211 UGHZEIVSHNQWEU-VWMZQXNLSA-N 412.658 6.446 0 1 HKAF COc1ccc(C(=O)c2ccc(/C=C/CN(C)Cc3ccccc3)cc2)cc1OC 40897728 YLNYALYMIPJJMT-JXMROGBWSA-N 401.506 5.080 0 1 HKAF Cc1nc2c(Nc3nc(-c4ccncc4)cs3)ncnc2n1-c1ccccc1Cl 45202876 ZUPZMCCOELAZMR-UHFFFAOYSA-N 419.901 5.039 0 1 HKAF O[C@](c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1ccccc1F)C(F)(F)F 49070985 AJRQXIWRZSQDHR-HXUWFJFHSA-N 404.338 5.102 0 1 HKAF Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3ccc(F)cc3)C[C@@H]1O2 96927722 HQNQNLPPHFASRT-SVBPBHIXSA-N 417.524 5.111 0 1 HKAF O=C(Oc1ccccc1)[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 100809670 BTRDJLBCRUKQNT-LUOLBVNJSA-N 414.332 5.465 0 1 HKAF CCCCCOc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1ccc(O)cc1)CC2=O 103204078 CCAOSOWPKCTCNC-QFIPXVFZSA-N 424.537 6.185 0 1 HKAF Cc1cnc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1-c1ccccc1 103243237 FMLHKAPHBJGWDQ-UHFFFAOYSA-N 408.505 6.065 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccc3ccccc3c2)C[C@@H](c2ccccc2)C1 103880549 UZNICGOSLMCMQZ-RNWIMVQKSA-N 416.524 7.469 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3N 118919853 MUNYFYVFFYKFPN-BOKMIASKSA-N 403.695 6.406 0 1 HKAF COCc1cc2ccccc2c(Oc2ccc(/C=C\C(=O)O)cc2)c1-c1ccccc1 147982692 GPFIKCYCCKWZTJ-SSZFMOIBSA-N 410.469 6.543 0 1 HKAF in-vitro Cc1cc(N[C@H](CC(C)C)C(=O)Nc2ccccc2)nc(NCC2CCCCC2)n1 206780267 QYLQNTUPKBILJB-OAQYLSRUSA-N 409.578 5.243 0 1 HKAF Cc1nc(N[C@H](C)c2ccnc(-c3cnn(C)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 214669002 UTDJVXWRQWUOAL-MRXNPFEDSA-N 424.508 5.475 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4[C@@H](C)CCC[C@]4(C)[C@@H]3CC[C@]12C 255200741 BPZOUHWJXJNACU-RDGKXPPWSA-N 400.735 8.990 0 1 HKAF C[C@H](C(=O)C1=NC[C@H](C)C1)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255209426 FLJSFXUJSLIIFB-BFJKPGKHSA-N 413.646 5.692 0 1 HKAF CCCCOc1cc2nc(C34CCC(CO)(CC3)CC4)[nH]c2cc1Br 586895221 AGKRGLKLVZGWGO-UHFFFAOYSA-N 407.352 5.089 0 1 HKAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c(Cl)cccc4[nH]3)cc2)c1C 586946741 FLHVVBYDGMZAIK-UHFFFAOYSA-N 411.914 5.301 0 1 HKAF CCOc1cc(/C=C\c2nc3c(C)ccc(C)c3[nH]2)cc(Br)c1OC 586978392 QLSPRQFLKJNGCW-HJWRWDBZSA-N 401.304 5.520 0 1 HKAF CCc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)oc2ccc(C)cc12 586992378 WFJBTQZHJJCGTH-UHFFFAOYSA-N 405.453 6.436 0 1 HKAF FC(F)(F)c1c(Br)ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 587016823 OHHHOLLRMUNCPY-SNVBAGLBSA-N 418.238 5.319 0 1 HKAF Fc1cc(C(F)(F)F)c2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc2c1 587063441 VIERONHAKTXUNS-UHFFFAOYSA-N 404.794 6.632 0 1 HKAF FC(F)(F)Oc1cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2cc1Cl 587077412 SQGBFCASNWFZTB-UHFFFAOYSA-N 401.215 6.238 0 1 HKAF CC(C)(C)OC(=O)Nc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587103481 HULZYRHQPITIPH-UHFFFAOYSA-N 422.484 6.460 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1c([nH]c2ccc(Cl)cc12)CC3 587103879 MKMQZRDNANPHFF-UHFFFAOYSA-N 406.872 6.347 0 1 HKAF FC(F)(F)c1cncc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 587114972 BKPSSUFNAGZNAK-UHFFFAOYSA-N 421.014 5.169 0 1 HKAF O=C(c1nc2cc(OCc3ccccc3)ccc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133318 ODTUNPRTQQNHSU-UHFFFAOYSA-N 415.251 5.819 0 1 HKAF COc1ccc(C(=O)c2ccccc2-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1F 587143648 CONMKHZIGHPSKV-UHFFFAOYSA-N 416.239 5.310 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1F 587149350 GKKAMUUAUNPNPE-INIZCTEOSA-N 406.219 5.711 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1F 587150071 KANXBHKSVVPQGC-LJQANCHMSA-N 416.330 5.331 0 1 HKAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1F 587150925 GDQYQZIECRTJDN-BDAKNGLRSA-N 417.175 5.894 0 1 HKAF CCCCOc1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1Br 587152419 MYJAZLZTVZQZRX-CHWSQXEVSA-N 421.285 6.054 0 1 HKAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587170878 VEPQJKMCULLWCY-VIFPVBQESA-N 405.367 5.647 0 1 HKAF O=C(O)Cc1c(-c2ccc3c(c2)CCC3)nc2cccc3c2c1-c1ccccc1C3=O 587207728 WKRNGPPZKOEMBO-UHFFFAOYSA-N 405.453 5.229 0 1 HKAF CCCCCOc1cc2nc(/C=C/c3ccc(N)cc3)[nH]c2cc1Br 587252064 UTZBNCDEVGEEOJ-JXMROGBWSA-N 400.320 5.647 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccccn2)(C2CCCCC2)[C@H]1c1ccc(F)cc1 587341378 WLGWVSZCMPCVOC-AZGAKELHSA-N 417.480 5.761 0 1 HKAF Cc1c[nH]c2c1[C@@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351197 ZDZLTHYLWZCVRQ-RCZVLFRGSA-N 405.469 5.395 0 1 HKAF Cc1ccc([C@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587356855 RTHIMZPZBVVAAQ-AOYPEHQESA-N 414.432 5.735 0 1 HKAF CCn1cc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c2ccccc21 587362661 IVMKSSZIQJENOL-UHFFFAOYSA-N 418.496 7.298 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1cc(C(F)(F)F)ccc1Cl)O2 587380109 AMYUXTHRLMOFMH-LJQANCHMSA-N 420.818 5.747 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2CCC[C@H](C1)N2C(=O)OC(C)(C)C 587489927 WXKWFRBJXQKTNT-VJZPNJBGSA-N 415.530 5.001 0 1 HKAF COc1ccc(Br)c2c1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587501215 ZWEXAYJQWTVCHQ-QFIPXVFZSA-N 413.311 5.143 0 1 HKAF C[C@]1(c2c(F)ccc(Br)c2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587502131 CWBWHENCIDHWIY-HXUWFJFHSA-N 423.709 6.001 0 1 HKAF O=C1C[C@@](c2ccc(F)cc2)(c2c[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 587506780 MAEVTUOWRNIFBS-HHHXNRCGSA-N 411.476 6.095 0 1 HKAF CC(C)(C)c1[nH]c2c(F)cc(F)cc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587508636 QBNBSRYDYVGHGC-HXUWFJFHSA-N 409.476 6.329 0 1 HKAF O=C1C[C@](c2cccnc2)(c2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587511023 ZQPTXDPUWDUVOS-XMMPIXPASA-N 423.434 5.888 0 1 HKAF O=C1C[C@]2(CCCc3cc4c(cc32)-c2ccccc2CC4)Oc2c1ccc1c2CCCC1 587527974 YGPUVWRZDXUHBO-PMERELPUSA-N 420.552 6.528 0 1 HKAF COc1ccc(-c2nc(C)c([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1 587533904 YMEQPYRAJATLHQ-RUZDIDTESA-N 419.546 5.887 0 1 HKAF C[C@@]1(c2cc(F)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547385 LGWNGNRLXBLWQO-NQIIRXRSSA-N 418.342 5.427 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(C(F)(F)F)cnc1Cl 587549586 QYIUGMCOVKJKRM-YJBOKZPZSA-N 421.758 5.162 0 1 HKAF Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]c2ccc(Cl)cc12 587550495 BKXISJUQEIFBNI-CVDCTZTESA-N 405.837 5.538 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ncc1C(F)(F)F 587554821 JNZQIIGNCSZTSN-APWZRJJASA-N 421.758 5.162 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2)cc1F 587556027 UICQMMKKPJQXRD-ZEQKJWHPSA-N 412.416 5.901 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(-c2ccccc2)s1 587619433 SMBAJJZLFCQWTA-KNQAVFIVSA-N 401.443 5.219 0 1 HKAF CCOC(=O)c1c(-c2cc(F)c(F)c(OC)c2F)[nH]c2ccc([C@H](C)CC)cc12 587640023 BDMIXTIMVYQYQW-LLVKDONJSA-N 405.416 5.951 0 1 HKAF Cc1cc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc2c(C)cccc12 587656691 KSGAWBZZIOPSPD-UHFFFAOYSA-N 413.427 5.496 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2n(C)c2ccccc32)N1 587757516 OHDUEJWBKHOAFN-MCMMXHMISA-N 413.334 5.194 0 1 HKAF COc1cccc(OCc2ccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)cc2)c1 587780585 DWJPNSKEGAYTTJ-UHFFFAOYSA-N 402.347 5.374 0 1 HKAF Brc1cccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587783764 GZXCAXOCOMDFAF-KAMYIIQDSA-N 405.295 6.075 0 1 HKAF CCCOc1c(C)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587794106 ODZUBZWTSIMINH-JLTOFOAXSA-N 406.339 5.617 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccc(O)cc3)c2)N1 587833117 LZGTXQLZQJTLDH-DMZKTXOQSA-N 412.302 5.584 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=Cc3c(ccc4ccccc34)OC2)N1 587835570 PXLZZSQFFPRPRS-ZLOXQWCVSA-N 424.313 5.793 0 1 HKAF O=C(COc1cc(Cl)c(Cl)cc1Cl)n1nc2cc1Oc1ccc(F)cc1-2 587872199 KDJPMMRTPBGGPI-UHFFFAOYSA-N 413.619 5.474 0 1 HKAF CC(C)(C)Oc1ccc(O)n1-c1ccc(Br)cc1OCc1ccccc1 587941980 WOVNDEMAOUFWEO-UHFFFAOYSA-N 416.315 5.702 0 1 HKAF CC/C(=C\c1nc2cc(Br)c(Br)cc2[nH]1)c1ccc(C)cc1 587967541 ONYBVPCALIOMLA-XYOKQWHBSA-N 420.148 6.347 0 1 HKAF COc1ccc2c(c1)[C@]1(C[C@@H]3CCC[C@H](C1)N3C(=O)OC(C)(C)C)N(C(C)C)CC2 962091289 NLFSWUVUOGZWMH-FZWXVRBQSA-N 414.590 5.109 0 1 HKAF C[C@]1(c2ccc(-c3ccsc3)s2)c2cccc(F)c2CCN1[C@H]1CCSC1 962696458 FKVDNSMKXKQFGO-KSFYIVLOSA-N 415.624 6.243 0 1 HKAF Fc1cccc([C@@]2(c3cc(Cl)cc(Cl)c3)NCCc3nc4ccccn4c32)c1 962994702 LLCMIKXIRNRHGJ-QFIPXVFZSA-N 412.295 5.218 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@@]3(c1ccc(C)cn1)c1cc(C)ccc1C 963033863 KMXWTVOBLVZPIX-HHHXNRCGSA-N 409.533 5.001 0 1 HKAF O=C1CCc2cc([C@@]3(c4ccccc4)c4c(F)cccc4C[C@@H]4CCCN43)ccc2N1 963098596 GPJFJZDFUYLMDD-CUNXSJBXSA-N 412.508 5.023 0 1 HKAF COc1ccc(-c2nc(C)sc2-c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 1772618504 IPYDHQHWEGVYCV-UHFFFAOYSA-N 415.518 6.438 0 1 HKAF CC(C)(C)c1cc(-c2nc3ccc(-c4ccccc4OC(F)(F)F)nc3[nH]2)on1 1772640228 FNTDJPRXLUFNIM-UHFFFAOYSA-N 402.376 5.476 0 1 HKAF COc1ccc(OCC(=O)Nc2ccc(-c3nc4ccc(Cl)cc4o3)cc2)cc1 1857553747 JZPPHCXRPVUWPB-UHFFFAOYSA-N 408.841 5.174 0 1 HKAF O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1sc(Cl)cc1Cl 1857557745 DXKYWEHPNCUGOV-UHFFFAOYSA-N 410.653 5.528 0 1 HKAF CC[C@H](Nc1ccc(S(=O)(=O)Nc2nccs2)cc1Cl)c1ccccc1 1857609147 SDPRTZGVTOHKRX-INIZCTEOSA-N 407.948 5.161 0 1 HKAF Clc1ccc2nc(-c3cccc(Oc4ccccc4)c3)cc(-c3ccccc3)c2c1 1857627686 JQYSKNJOQWRPKX-UHFFFAOYSA-N 407.900 8.015 0 1 HKAF CC(=CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356573967 ICOBDHPNAUQIMP-QVJUQYADSA-N 400.691 7.635 0 1 HKAF CC(C=CC=C(C)[C@@H]1C=C2C(C)(C)C[C@@H](O)C[C@@]2(C)O1)=CC=CC=C(C)CCCO 2356619061 SMTGOURXPBLNQN-ONBPZOJHSA-N 412.614 5.975 0 1 HKAF COC1=CC(c2ccc[nH]2)=NC1=Cc1ccc(CCCCCCCCCC(C)=O)[nH]1 2356792444 JSQLPELKARDQCA-UHFFFAOYSA-N 407.558 5.969 0 1 HKAF Cc1ccc(C)n1[C@@H]1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccc(F)cc21 206028542 KSSYZVYSPRJOQL-FQEVSTJZSA-N 402.391 5.399 0 3 HKAF C[C@@H]1CC[C@@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC(=O)[C@H]5CCCC[C@@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2C 263590660 GDYOHNPSZXFUIG-XVBITFJKSA-N 414.630 6.002 0 3 HKAF Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)NCCC3=CCCCC3)sc2n1 753904 GWZCQJYXCOGQFJ-UHFFFAOYSA-N 412.603 5.165 0 1 HKAF CC(C)(C)c1noc(-c2ccc(-c3ccccc3)cc2)c1C(=O)N[C@H]1CCCC[C@@H]1O 775489 JGXLUJHMLXKRCO-SFTDATJTSA-N 418.537 5.339 0 1 HKAF O[C@H](c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12)[C@@H]1CCCCN1 1591921 IIKOXHYTYFKHKD-GHTZIAJQSA-N 421.755 6.038 0 1 HKAF Clc1ccccc1Cn1cc(Cn2ccnc2)c2cc(Br)ccc21 3648566 LFJFHLYLOJQGEC-UHFFFAOYSA-N 400.707 5.350 0 1 HKAF O=C(c1cccc(F)c1)N1CCC2(CC1)CN(c1cccc(-c3ccccc3)c1)C2 3956058 RNEYIIQDKLIATI-UHFFFAOYSA-N 400.497 5.235 0 1 HKAF O=[N+]([O-])c1ccc2nc(-c3ccccc3-c3nnc(/C=C/c4ccccc4)o3)[nH]c2c1 5974461 RQRJTQJRGRONJV-JLHYYAGUSA-N 409.405 5.359 0 1 HKAF CC(C)(Cc1c[nH]c2ccccc12)NC[C@@H](O)COc1ccccc1-c1ccccc1 26731299 DSEONVLATAFVMZ-JOCHJYFZSA-N 414.549 5.186 0 1 HKAF C[C@H]1C(=O)c2c(n(O)c3ccc(Cl)cc3c2=O)C[C@@H]1c1ccc(Cl)c(Cl)c1 27089088 WZMMANFTFJNFIU-SKDRFNHKSA-N 422.695 5.358 0 1 HKAF Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2ccncc2)c1 29481988 AOLUCFBDKYXDRR-UHFFFAOYSA-N 421.909 5.763 0 1 HKAF COc1ccccc1-c1cn2c(-c3ccc(Cl)cc3Cl)c(CN)c(C)nc2n1 35933158 AXPSSBPJXIUGGG-UHFFFAOYSA-N 413.308 5.146 0 1 HKAF O=C1OC2(CCCCC2)C2=C1[C@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 40413215 TXDTXIGWEMJKMF-LJQANCHMSA-N 409.869 5.140 0 1 HKAF CC1=CC2=NC[C@H](C(=O)c3ccc(-c4ccc(Br)cc4)cc3)CN2C=C1 43118456 CXECSXRYGXYCAR-IBGZPJMESA-N 407.311 5.103 0 1 HKAF CC(C)CCN1CCC(Oc2ccc(NC(=O)c3ccccc3)cc2Cl)CC1 45188048 DUTMIJNYZRSPQA-UHFFFAOYSA-N 400.950 5.482 0 1 HKAF CCN(CC)C(=S)S[C@H](CC(=O)c1ccc(OC)cc1)c1ccccc1Cl 49799674 RTERRCGSIUCOGB-HXUWFJFHSA-N 422.015 6.023 0 1 HKAF CC(C)=CCc1c(O)c(/C=C/C(C)C)c(O)c2c1O[C@H](c1ccc(O)cc1O)CC2=O 59587549 XCIRMVJXNNMDAI-FERLCFGISA-N 424.493 5.393 0 1 HKAF biogenic,in-vitro COc1cccc([C@H]2c3c(nc4c(c3N)CCCC4)Oc3ccc4ccccc4c32)c1 71329592 KSDJTELWHBDLIN-HSZRJFAPSA-N 408.501 5.990 0 1 HKAF O=C(c1ccc(-c2ccccn2)s1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1 71335441 HFFLQUJDKJPLGQ-OAQYLSRUSA-N 410.502 5.197 0 1 HKAF C[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCCC1CCCCC1 82084024 SNMDGZDGXDXCDR-KRWDZBQOSA-N 420.509 5.127 0 1 HKAF Cc1ccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3C)n2)o1 82177130 FEZRQBHLZUIJAG-UHFFFAOYSA-N 412.518 6.242 0 1 HKAF CCCCNc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccc(F)cc2)n1 82216435 WQTVVLGGEQGJHW-UHFFFAOYSA-N 420.532 5.546 0 1 HKAF O=C1C[C@H](CCc2c[nH]c3ccccc23)Oc2c(Br)cc(Cl)cc21 95552873 UWRZUKJDAYEQIL-ZDUSSCGKSA-N 404.691 5.550 0 1 HKAF CCSc1nc2cc(Br)ccc2c2[nH]c(-c3ccccc3Cl)nc12 95603969 SEPTXDWCQPPCFR-UHFFFAOYSA-N 418.747 6.306 0 1 HKAF CCCCCCNC(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O 96924194 OOBKQRYHDXDWPQ-UHFFFAOYSA-N 415.342 6.122 0 1 HKAF O=C1O[C@](CC2CCCC2)(c2ccccc2)CC(O)=C1SCCc1ccccc1 100364015 VOZIWYDWVRAMSF-VWLOTQADSA-N 408.563 6.155 0 1 HKAF CCOc1ccccc1C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)C1 103255329 PZKRICNZECDPCL-QFIPXVFZSA-N 411.332 6.748 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc3ccccc3c2)n1 141886878 JBGPVZUWLAAZOC-SFHVURJKSA-N 419.532 6.179 0 1 HKAF COc1ccc(C2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 146507745 XMWTZDRMYKMZAG-UHFFFAOYSA-N 401.535 5.751 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)[C@@H]2C[C@H]3[C@H](C[C@@H]12)C[C@]1(C)CC[C@@H](C(C)C)[C@@H]2C[C@H](C)C[C@H]3[C@H]21 169644132 PTJNNBKAZKHNHT-KJMGDGGCSA-N 412.746 8.702 0 1 HKAF c1ccc(CN2[C@@H](c3ccccc3)C3=C(NO[C@@H]3c3cccnc3)[C@@H]3CCCC[C@H]32)cc1 195451806 KURMYIOERUOJAA-KSZYUSJVSA-N 423.560 5.728 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(OCCO)c2)cc(-c2ccc3occ(C)c3c2)n1 205827489 RXBCVCUOIJVBAS-INIZCTEOSA-N 403.482 5.051 0 1 HKAF O=C(O)COc1ccc(Cl)c(NCc2cc(-c3cccc(F)c3)ccc2F)c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endogenous,in-man COc1ccc(Nc2c(-c3ccc(-c4c(C)noc4C)cc3)nc3ccccn23)cc1 299839302 SFPVLHMQNSBELQ-UHFFFAOYSA-N 410.477 6.025 0 1 HKAF O=C(CCSc1nnc(-c2ccncc2)s1)Nc1ccc(Cl)cc1Cl 473082630 JRJCIWVFRGXNOD-UHFFFAOYSA-N 411.339 5.028 0 1 HKAF Fc1cc(C(F)(F)F)c2[nH]c(-c3nc(Br)sc3C3CC3)nc2c1 587013519 ZIAAJUMWUCTRGH-UHFFFAOYSA-N 406.202 5.484 0 1 HKAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc4c(c3[nH]2)CCCC4)cs1 587019131 HTFQLGFBGKRAPC-UHFFFAOYSA-N 403.511 5.133 0 1 HKAF COc1cc(-c2nc3c(Br)ccnc3[nH]2)cc(Cl)c1OCC(C)C 587044492 FBONEWXJNVNPAH-UHFFFAOYSA-N 410.699 5.084 0 1 HKAF Nc1ccc(-c2ccc3nc([C@@H]4C[C@H]4c4c(Cl)cccc4Cl)[nH]c3c2)cc1N 587051960 WJPXBQNBWNENAX-ZIAGYGMSSA-N 409.320 5.972 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(Cl)nc2[nH]1)c1cccc(Cl)c1 587069633 DUHJFLWWZOUDSE-AWEZNQCLSA-N 407.301 5.073 0 1 HKAF COc1cc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2cn1 587082188 HRMKPOVSVZUPKL-UHFFFAOYSA-N 402.841 5.208 0 1 HKAF Fc1ccc(F)c(SCc2cccc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c2)c1 587140904 INBOCIJXKDWANG-UHFFFAOYSA-N 422.834 6.732 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c(Cl)c2)cc1F 587144719 CEZJAVFTVLGALW-UHFFFAOYSA-N 405.782 6.412 0 1 HKAF Fc1ccc2[nH]cc(Cc3nc4c(Br)ccc(Br)c4[nH]3)c2c1 587174791 LNUPIYSFRWXFEZ-UHFFFAOYSA-N 423.083 5.299 0 1 HKAF Nc1c(-c2nc3c(Br)ccc(Br)c3[nH]2)ccc2ccccc12 587254749 WWKLFMUMPSFQFU-UHFFFAOYSA-N 417.104 5.490 0 1 HKAF Cc1cc2c(cc1Cl)[C@]1(C=CO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327620 HGABMRVOGRJQIP-UPVQGACJSA-N 422.839 5.654 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2c[nH]c3ccccc23)(C2CC2)[C@@H]1c1ccc(F)cc1 587349877 VXTLTOONUIMIAY-AOYPEHQESA-N 413.448 5.677 0 1 HKAF CCCc1c(CC(=O)OCC)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587361811 BRETXICDHVJHTF-UHFFFAOYSA-N 403.478 5.715 0 1 HKAF CCCCC[C@]1(c2ccc(OC(F)(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587383803 VNGFPOCHFJPYEZ-OAQYLSRUSA-N 407.432 5.917 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccnc1Sc1ccc(Cl)cc1)[C@@H](C2)C3=O 587452216 NEWUIXDUWIIGAW-LAUBAEHRSA-N 409.894 5.384 0 1 HKAF CCCOc1c(OC)cc(Cl)cc1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587462627 PTGWEUMTCMNOFR-LJQANCHMSA-N 404.890 5.502 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1cccnc1)(c1ccc(Cl)cc1)CC2=O 587463590 VZMPUUZHFULSQH-XMMPIXPASA-N 407.897 5.497 0 1 HKAF CCCOc1c(OC)cc(Cl)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587504694 XRTAOKQYCJOBKV-HXUWFJFHSA-N 400.902 5.723 0 1 HKAF C[C@@H](c1ccccc1)n1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc2ccccc21 587516735 VLOAMSNADDCZFO-HFJWLAOPSA-N 422.528 6.231 0 1 HKAF O=C1C[C@@H](c2cccnc2Sc2ccccc2Cl)Oc2c1ccc1c2CCCC1 587532785 ONLBFJVIONKULG-NRFANRHFSA-N 421.949 6.472 0 1 HKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Br 587537704 AQODXWYTVGRFDR-NQIIRXRSSA-N 411.251 5.166 0 1 HKAF C[C@@]1(Cc2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549086 PTBSMKBLBGSSLK-UGKGYDQZSA-N 414.379 5.374 0 1 HKAF CCOC(OCC)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587594491 LNVJEJYPQFBETO-XUZZJYLKSA-N 420.461 5.167 0 1 HKAF O=Cc1cccc([C@]2(C3CCCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587604214 VHOPHVZGAGJGNJ-OZXSUGGESA-N 414.457 5.252 0 1 HKAF Cc1c(-c2c(Cl)cccc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625093 BEFAEQCSXZWUQR-UHFFFAOYSA-N 412.160 7.488 0 1 HKAF COc1ccc(-c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1Cl 587625292 FKZPTIKVUNQSST-UHFFFAOYSA-N 407.741 6.843 0 1 HKAF COC(=O)c1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2c(C)cc(Cl)cc12 587625990 AWPCNDCGOKKQQC-CYBMUJFWSA-N 406.910 5.031 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1 587694048 GBPRZKWLQBDUMI-OVWNDWIMSA-N 420.713 5.255 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cc(O)cc2Cl)N1 587695259 QQNLMYZVRFLYFO-QZTNRIJFSA-N 405.094 5.224 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(O)cc2Cl)N1 587698619 ZELKXGUUROZWPW-QZTNRIJFSA-N 405.094 5.224 0 1 HKAF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1C(F)F 587713377 CQYPHOWRUHAFRS-VVVCHXIZSA-N 400.238 5.158 0 1 HKAF CCCCCc1ccc([C@]2(CC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587809831 BGVXQXZSVZULRW-MWTRTKDXSA-N 418.394 6.509 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2SC(C)(C)C)N1 587838114 BGNGOJPCYZGCGD-CWTRNNRKSA-N 408.380 6.102 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cscc2Br)N1 587851124 AJIFZJAYLMXMEV-AYVTZFPOSA-N 419.157 5.210 0 1 HKAF O=C(c1cc(-c2ccccc2)nc2ccccc12)n1nc2cc1Oc1ccc(F)cc1-2 587873596 IRFDKKAJBCWSLU-UHFFFAOYSA-N 407.404 5.699 0 1 HKAF COc1cccc(-c2cc(O)cc(-c3nc4cc(Br)c(F)cc4[nH]3)c2)c1 587933781 VGHDMZLDQJTOCF-UHFFFAOYSA-N 413.246 5.513 0 1 HKAF COc1ccc2cc([C@@H](C)c3nc4cc(Br)c(C)c(C)c4[nH]3)ccc2c1 587934529 CGYWJIOGLXQDMG-CQSZACIVSA-N 409.327 6.256 0 1 HKAF Cc1ccc(-c2cnc([C@@H]3c4ccsc4CCN3Cc3cccn3C)o2)cc1C 962398355 MZIQQGWBHYTNFZ-QHCPKHFHSA-N 403.551 5.506 0 1 HKAF COc1cc2c(cc1OC)[C@](c1ccccc1Cl)(c1ncccc1C)N(C)[C@H](C)C2 962635164 RBHPEJFPSFSIMH-CRICUBBOSA-N 422.956 5.229 0 1 HKAF COC(=O)[C@]1(c2cc(Cl)ccc2Cl)NCCc2cc(-c3ccccc3)ccc21 962659403 GNBHDQKAZOSCIC-QHCPKHFHSA-N 412.316 5.223 0 1 HKAF Cc1nn(C(C)C)c(C)c1[C@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962961869 VLLTYIRVPMAYAB-NRFANRHFSA-N 421.507 5.015 0 1 HKAF O=C(O)c1cc(Cl)c([C@H]2c3ccsc3CCN2Cc2cccnc2)c(Cl)c1 962998929 XAZOGGANJSLKQR-LJQANCHMSA-N 419.333 5.296 0 1 HKAF O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1[C@@]1(c2ccccc2)NCCc2c(Cl)cc(Cl)cc21 963123977 QCNVSNHYOQFAPX-SRMVCCGWSA-N 416.348 5.130 0 1 HKAF C[C@H]1c2c(F)cc(F)cc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)Nc1cccnc1 1772587448 RIKRALGCTXGOPF-SJORKVTESA-N 422.479 5.364 0 1 HKAF Cc1cnc([C@@H](CC(=O)O)c2cc(Cl)cc(-c3cccc(Cl)c3F)c2)s1 1772637756 AYXWKYBBUVMJHL-HNNXBMFYSA-N 410.297 6.171 0 1 HKAF CC(C)(C)c1ccc(C(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2Cl)cc1 1772652571 XXQQYBWXNCCULQ-UHFFFAOYSA-N 412.839 5.068 0 1 HKAF Cc1[nH]c2ccc(-c3ccccc3)cc2c1C[C@@H](NCc1ccccc1)c1ccccc1 1857538027 PVIQUAJACJHNOA-SSEXGKCCSA-N 416.568 7.217 0 1 HKAF CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccc(Cl)cc4[nH]3)o2)C1=O 1857543625 XKHUSAIIFKRTLV-ZSOIEALJSA-N 419.915 5.405 0 1 HKAF C[C@@]12CCC[C@H]3C[C@@]([C@@H]4C[C@H](Cc5ccc(=N)[nH]c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c1ccc(OCc2ccc3nc(-c4ccccc4)c(Cl)nc3c2)cc1 1653539 WANUSUHTLCEOQB-UHFFFAOYSA-N 404.853 5.316 0 1 HKAF O=C1C(c2ccc3ccccc3n2)=C(O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21 4235732 WBZYNECVDWSRCA-UHFFFAOYSA-N 411.071 6.471 0 1 HKAF biogenic Cc1ccc(NC(=O)c2ccc3ccccc3c2)c(C(=O)Nc2ccc(Cl)cc2)c1 13487514 DQHQXMNEXGAPSG-UHFFFAOYSA-N 414.892 6.306 0 1 HKAF CC[C@H](CC[C@@H](C)[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1)C(C)C 14984507 SXXCAAVOWOSERF-VGOFMOSCSA-N 414.718 8.025 0 1 HKAF CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)Nc3ccccc3)cc2)c1 28822790 OGYYLECFXZOXKB-UHFFFAOYSA-N 411.461 5.143 0 1 HKAF CCCOC(=O)c1ncn2c1CN=C(c1ccccc1Cl)c1cc(Cl)ccc1-2 29483552 RSFOHVWEDXMNAI-UHFFFAOYSA-N 414.292 5.097 0 1 HKAF Cc1nc(Nc2ccccc2)sc1-c1nc2ccccc2c(=O)n1-c1ccccc1 40898629 CICPSCCYMIWJKP-UHFFFAOYSA-N 410.502 5.561 0 1 HKAF Cc1ccc(/C=C/c2ccc(-c3ccc(I)s3)s2)cc1 72175500 QFMSPLCBWBUMTR-VOTSOKGWSA-N 408.329 6.560 0 1 HKAF Cc1ccc(CCNc2ncc(C(=O)N3CCCCC3)c(-c3cccc(C)c3)n2)cc1 82146871 LRBLABHCMJWTRT-UHFFFAOYSA-N 414.553 5.041 0 1 HKAF O=S(=O)(Nc1nccs1)c1ccc(Oc2ccccc2-c2ccccc2)cc1 95585476 QTCGTMAKEKPHTN-UHFFFAOYSA-N 408.504 5.403 0 1 HKAF O=c1c(/C=C/[C@H](O)c2ccc(Cl)cc2)coc2cccc(OCC3CCCCC3)c12 95596341 WZZIDCZORGVJEP-KVDXNUTJSA-N 424.924 6.152 0 1 HKAF C/C=C/CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2c2[nH]c4ccccc4c2[C@@H](C)[C@H]3[C@H]1C5 96900221 FOABREBCGIGLAE-COLRHQQXSA-N 412.533 5.185 0 1 HKAF c1ccc(C(CCCCNC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 103229515 HFGJSSRKYJRTKI-UHFFFAOYSA-N 405.585 7.368 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2cccnc2)C[C@H](c2ccc(Cl)cc2)C1 104695086 RAZVJQYKUPXGSK-XDHUDOTRSA-N 401.897 6.364 0 1 HKAF Cc1c(N(CCC2CC2)S(=O)(=O)c2nc3ccccc3[nH]2)sc2ccccc12 115230470 SKJBHWCMQZITNB-UHFFFAOYSA-N 411.552 5.081 0 1 HKAF CC(C)N(CC[C@@H](O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1ccccc1 145182899 IZAFVOYCKJZVJV-LJQANCHMSA-N 419.409 6.058 0 1 HKAF Cc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1 168627647 SULSUOLNIGMXAY-BGYRXZFFSA-N 411.498 5.177 0 1 HKAF CCN(CC)C[C@H](O)c1cc2cc(Cl)cc(Cl)c2nc1-c1ccc(Cl)cc1 169337303 GRHOYVMIECQAAK-IBGZPJMESA-N 423.771 6.237 0 1 HKAF CC1(C)CC(=O)[C@H]2C(=Nc3ccc(Cl)cc3N[C@H]2c2c(F)cccc2Cl)C1 169722076 YMQXPCUHGBZEHJ-UXHICEINSA-N 405.300 6.377 0 1 HKAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2[C@H](OC(=O)C(C)C)[C@H]2C(=O)CC[C@H](C)[C@@]12C 238739703 ZWZYJBYNCRIMLI-FVJHXIHNSA-N 416.514 5.014 0 1 HKAF C[C@H]1[C@H](O)CC[C@@H]2C3=CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@@]21C 238748193 WVXZUPLRNVNUEE-DNYNWDHMSA-N 412.702 7.779 0 1 HKAF CCOc1cccc(N2[C@@H](c3ccccc3)[C@@]23C(c2ccccc2)=Nc2ccccc23)c1 299847284 LWSQUDITYPSJAA-SECPYKCTSA-N 416.524 6.677 0 1 HKAF O=C(c1ccc(Cl)cc1)[C@@H](CSCc1ccccc1)n1cnc2ccccc21 473090791 AKMVYSGAHZRPLO-JOCHJYFZSA-N 406.938 6.047 0 1 HKAF Cc1ccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCCO5)o3)cc2)cn1 473154194 FCAXBXGEEOUHFH-UHFFFAOYSA-N 417.490 5.171 0 1 HKAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(Br)c(C)c(C)c2[nH]1 586916441 MMBILMBTPRHBCY-BTYIYWSLSA-N 413.315 5.159 0 1 HKAF CC(=O)c1cccc2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)nc12 586987485 BPZNFJYXJQHQAD-UHFFFAOYSA-N 416.436 5.570 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(F)cc(F)c1OCC3 586988960 UOQAXYAMSKOMLO-UHFFFAOYSA-N 401.368 5.032 0 1 HKAF Fc1ccc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2c1F 587022297 WUOMARKZVUQMTH-UHFFFAOYSA-N 405.433 5.770 0 1 HKAF Nc1ccc(-c2ccc3nc(-c4ccccc4OCc4cscn4)[nH]c3c2)cc1N 587029993 XOSUKEDYODGJDB-UHFFFAOYSA-N 413.506 5.097 0 1 HKAF O=c1ccc(-c2nc3ccc4c(c3[nH]2)CCCC4)cn1Cc1ccc(Cl)cc1Cl 587053596 DQNPOUAEBSRWHY-UHFFFAOYSA-N 424.331 5.626 0 1 HKAF Cc1cc(Cl)cc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 587071650 MHDPRFTUKINOMY-RDKGUXCJSA-N 405.756 7.198 0 1 HKAF FC(F)(F)Oc1cccc(CSCc2nc3cccc(C(F)(F)F)c3[nH]2)c1 587126690 ZRZZEWZRZOFBGC-UHFFFAOYSA-N 406.351 5.914 0 1 HKAF C[C@H](c1nc2c(Cl)c(Cl)cnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129385 IYWOMIMROHGENI-GSVOUGTGSA-N 416.593 5.599 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2F)c1 587142995 JJKHSMMNJWEOOD-UHFFFAOYSA-N 420.793 6.717 0 1 HKAF Fc1ccc(/C=C/c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(F)c1 587151247 XWTNELHUXYBHBO-DUXPYHPUSA-N 403.148 5.793 0 1 HKAF Cc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1Br 587205857 URRAURJFGHTBPQ-OAHLLOKOSA-N 410.356 5.116 0 1 HKAF Cc1cc(Br)c2[nH]c([C@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2c1 587226854 VFPFFCAQLFXGCN-OAHLLOKOSA-N 408.340 5.390 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(C2CCCC2)[C@@H]1c1ccc(F)cc1 587339982 WMPLYPZHBHUQIQ-RSXGOPAZSA-N 420.455 6.115 0 1 HKAF C[C@]1(c2cc3cccc(O)c3o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351075 HVNGIWVARHCSLY-XUZZJYLKSA-N 404.393 5.257 0 1 HKAF Cc1ccc([C@@]2(C3CCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587357839 VRLBTYJRFLPXPW-AOYPEHQESA-N 402.465 5.894 0 1 HKAF C[C@@]1(c2cccc3ccsc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587376916 YVBOKGZJUNNEBY-URXFXBBRSA-N 404.462 6.020 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)cccc1N1CCCCC1)O2 587377557 NMEWYEHAXIPVOZ-LJQANCHMSA-N 415.331 5.037 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1NC(=O)OCc1ccccc1)O2 587390619 ONOOZEIVAPUPFT-JOCHJYFZSA-N 402.450 5.032 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccccc4)c(Cl)c1)[C@@H](C2)C3=O 587422770 ZRXJFTYQOUKOCO-UUOWRZLLSA-N 406.865 5.416 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccccc3)c(Cl)c1)CC2=O 587462226 NTKZPVILYBCRIB-XMMPIXPASA-N 422.908 6.284 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(F)cc3)cc1)CC2=O 587469727 CDQUBRCHBRPIBC-XMMPIXPASA-N 406.453 5.769 0 1 HKAF Cc1cccc(-n2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1C 587574474 BDGYBSSVHWMPHC-JYFHCDHNSA-N 411.457 5.503 0 1 HKAF C[C@@]1(c2cccc(-c3cccc(N)c3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575103 APAYYXQUAMWOHQ-IGKIAQTJSA-N 423.468 5.518 0 1 HKAF CC(C)CCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587598389 UJYAATBFEATXEN-ZEQKJWHPSA-N 418.489 5.694 0 1 HKAF COc1cccc([C@@H]2CCCC[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)c1 587601057 QEXNGTLEESUIDI-VAPDBKPJSA-N 416.473 5.459 0 1 HKAF Cc1ccc([C@@]2(c3ccco3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587616817 MHZWGCXZFZLWLA-BVAGGSTKSA-N 412.441 5.507 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2nccs2)cc1 587619116 QVCWDOQGPQAAEN-SIKLNZKXSA-N 401.443 5.219 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(Cc3ccc(Cl)cc3)c(CCc3ccccc3)c2c1 587639785 CQKWSXKRURVRSH-IBGZPJMESA-N 401.981 7.711 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3C(F)(F)F)c(C(=O)C(F)(F)F)c2c1 587641583 MVPQWFRRNFXAJP-LLVKDONJSA-N 413.361 7.112 0 1 HKAF CC(C)(C)c1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587656846 RONVUTRSWFDXAO-UHFFFAOYSA-N 418.443 5.328 0 1 HKAF Cc1cc(Cl)cc2c1OCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587697092 LOCUWWKIKXZVGV-WYRIXSBYSA-N 410.714 5.110 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCOc3ccc(Cl)cc32)N1 587701582 VBBRGUZRJALQJC-WLRWDXFRSA-N 410.714 5.192 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)cc2C(F)(F)F)N1 587710390 FZKLIBBBULMBMV-HUTHGQBESA-N 420.219 5.544 0 1 HKAF COc1c(F)cc(CC[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587718910 KCBAKGCHHLZKOG-MLCYQJTMSA-N 414.265 5.083 0 1 HKAF CCCCn1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 587757164 NMBBWMBZNBFKNN-RNODOKPDSA-N 416.338 5.362 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(F)cc(Br)c4[nH]3)c2)cc1O 587786174 JHTAHRFHTRZKET-UHFFFAOYSA-N 413.246 5.513 0 1 HKAF COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC(C)C 587790734 HYBXSJISUJIYPS-HXPMCKFVSA-N 408.311 5.008 0 1 HKAF CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)C 587800867 HSLQSDDWRHNDAZ-LRTDBIEQSA-N 406.339 5.734 0 1 HKAF CCOc1cc(OCC)cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587804402 ZFUCTPBWYCKXTN-YEJXKQKISA-N 422.338 5.183 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C(F)(F)F)cc(C)n1 587853684 AVFYPAIRGURGOX-UHFFFAOYSA-N 416.230 5.967 0 1 HKAF Cc1ccc(-c2csc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2)cc1 587854224 QRDASCJJVYGSSQ-BLVKFPJESA-N 417.347 5.644 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(C)c(Cl)c1 587854735 FYCZFQCRGHIEJZ-UHFFFAOYSA-N 409.700 5.906 0 1 HKAF COc1ccc(C[C@H](C)c2nc3cc(Cl)cc(Br)c3[nH]2)cc1OC 587926185 KLVYSXTUAZDCLN-JTQLQIEISA-N 409.711 5.342 0 1 HKAF COc1ccc(-c2cccc(-c3nc4ccc(OC(C)C)cc4[nH]3)c2C)c(OC)c1 587930162 QKWWHTVAVQBZBC-UHFFFAOYSA-N 402.494 6.010 0 1 HKAF CC1(C)CCC(C)(C)c2cc3c(cc21)O[C@@H]1CCCC[C@@]31c1ccc(C(=O)O)c(F)c1 653738936 WUMXEFVHKYADBL-YIXXDRMTSA-N 422.540 6.494 0 1 HKAF CSc1ccc(NC(=O)Nc2ccc3c(c2)/C(=C/c2cccs2)C(=O)N3)cc1 653775534 OPQHOYIUVDTEGF-PDGQHHTCSA-N 407.520 5.607 0 1 HKAF COc1ccc2c(c1)[C@@](C)(CC(=O)c1ccc(C3CCCCC3)cc1)N(C(C)C)CC2 962090359 KVIBWZMOMNRTRZ-MUUNZHRXSA-N 419.609 6.498 0 1 HKAF Cc1c(F)ccc2c1[C@]1(NCC2)c2ccccc2-c2nnc(-c3ccc(F)cc3)cc21 962299410 NKDJSJRNDHSZML-SANMLTNESA-N 411.455 5.148 0 1 HKAF Cc1cc(C)cc([C@]2(CCc3ccccc3C)NCCc3c2c(C(C)C)nn3C)c1 962920421 SBJAWOPMUPZACN-MHZLTWQESA-N 401.598 5.491 0 1 HKAF Cc1ccnc2c1CCN[C@H]2c1cc(Cl)cc(Cl)c1OC(=O)c1ccccc1 963064711 CFCHZIRTNFESSE-FQEVSTJZSA-N 413.304 5.151 0 1 HKAF C[C@]1(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(F)cc2C[C@H]2CCCN21 963099474 HKVUZVALWDAVGY-NQIIRXRSSA-N 406.423 5.109 0 1 HKAF CCOC(=O)[C@]1(c2ccc(C)c3ccccc23)NCCc2c(Cl)cc(Cl)cc21 963110230 MTLTUIYXTDKCPX-HSZRJFAPSA-N 414.332 5.407 0 1 HKAF Cc1ccccc1[C@@]1(c2cnc3ccccc3c2)c2ccc(F)cc2C[C@@H]2CCCN21 963115912 WHISMLASJJBGJT-CUBQBAPOSA-N 408.520 5.995 0 1 HKAF CN1CCc2c(Br)cccc2[C@]1(C)c1cc(F)cc(Br)c1 963290156 UVASHDKTOMHZPI-KRWDZBQOSA-N 413.128 5.102 0 1 HKAF Cc1cccc2c1[C@]1(CCCCC1(C)C)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963905644 ZAXDHARVSHVODI-KOSHJBKYSA-N 401.547 5.427 0 1 HKAF CC1(C)CCC=C1c1cccc([C@@H]2CCc3ccc([C@@H](CC(=O)O)C4CC4)cc3O2)c1 1772578993 OBRPAINYPBSYAH-ZCYQVOJMSA-N 416.561 6.925 0 1 HKAF CCCOc1ccc([C@@H]2[C@H]3C(F)=CC=C(F)[C@@H]3C(=O)N2c2ccn3ccnc3c2)cc1 1772644941 MTQAERATFNWYIK-RJGXRXQPSA-N 421.447 5.164 0 1 HKAF Cc1cc(N2CC[C@@]3(CCN([C@@H](C)c4ccc5sc(C)nc5c4)C3)C2)cc(C)n1 1857581216 ZQCGYMDLNUAQOS-MHECFPHRSA-N 406.599 5.280 0 1 HKAF COc1cccc2cc(C3=Nc4ccccc4S[C@@H](c4ccc(O)cc4)C3)oc12 1857751267 HKNQKKLQPZKTAY-HSZRJFAPSA-N 401.487 6.505 0 1 HKAF CC(C)CC[C@H](C)[C@]1(C)CC[C@]2(C)C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@H]1[C@H](O)C3 2356541186 QHISKWZQHJJWLW-MWKMAZNGSA-N 416.690 6.894 0 1 HKAF O=C(O)[C@H]1N=C1C=CCCCCCCCCCC=C(Br)Br 2356541732 XWKHPPWOUIGVPT-HNNXBMFYSA-N 421.173 5.593 0 1 HKAF FC(F)(F)c1ccccc1Cc1c(C2CCCCC2)nc2c3ccccc3ccn12 72138215 RHGWYMBMJLLDGF-UHFFFAOYSA-N 408.467 7.145 0 3 HKAF CCOc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1 95594161 AIBIJJOISCHDJF-UHFFFAOYSA-N 406.869 5.289 0 3 HKAF COc1cc(C=O)c(C=O)c(O)c1OC/C=C(\C)CC/C=C(\C)CCC=C(C)C 3650288 HWVGIDRLIKEBPS-UBIAKTOFSA-N 400.515 5.824 0 1 HKAF Cc1cc(-c2c(F)cc3c(=O)c(Cc4ccccc4)cn(C4CC4)c3c2F)cc(C)n1 25979457 MBRBURRICNUZIC-UHFFFAOYSA-N 416.471 5.884 0 1 HKAF CCCN1[C@H]2CC[C@@H]1CC(=C(c1ccccc1)c1ccc(C(=O)N(CC)CC)cc1)C2 26184030 CLYBTDNNANXCCM-WMPKNSHKSA-N 416.609 6.007 0 1 HKAF CCc1ccccc1O[C@@H](CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(C)C 28135419 RFYTZXRMMNQKBP-DEOSSOPVSA-N 421.585 5.023 0 1 HKAF Cc1c(OCc2ccc(Sc3ccncc3)cc2)ccc(C(=O)CC(C)(C)C)c1O 28364780 GEMAESHGCQCSBL-UHFFFAOYSA-N 421.562 6.445 0 1 HKAF O=C(Nc1ccc2nc(NC(=O)C3CCCCC3)sc2c1)c1ccccc1Cl 28461624 XZZUBFOXRUJIBV-UHFFFAOYSA-N 413.930 5.721 0 1 HKAF CC1=CCC[C@H](C)[C@@]1(C)CC/C(C)=C/CC/C(C)=C/Cn1c[n+](C)c2ncnc(N)c21 28475727 BMJABLUWVJRIBX-BEHXQNNVSA-N 422.641 5.674 0 1 HKAF FC(F)(F)c1ccc2c(c1)N(CCCNc1nccs1)c1ccccc1S2 28821653 MCSJJQKMSZVSSG-UHFFFAOYSA-N 407.486 6.267 0 1 HKAF CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34064567 QQQDIFUKWMHWBE-GBURMNQMSA-N 404.635 5.986 0 1 HKAF Cc1ccc(-c2nnc(-n3c(/C=C/c4ccccc4)nc4ccccc4c3=O)s2)cc1 40380275 HRWKJCFGUAVDHY-DTQAZKPQSA-N 422.513 5.383 0 1 HKAF c1cc(-c2ccc(CNCCc3ccncc3)cc2)cc(-c2nc3ccccc3[nH]2)c1 45302815 MZBVKJPCGKRLEQ-UHFFFAOYSA-N 404.517 5.624 0 1 HKAF CCn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1 49067237 CZVVMRNEBRFYTL-UHFFFAOYSA-N 422.492 5.757 0 1 HKAF CC(C)(C)c1cc[n+](CCCCCCCCCC[n+]2ccc(C(C)(C)C)cc2)cc1 66103124 JAZQZHGMPOIYPF-UHFFFAOYSA-N 410.690 6.678 0 1 HKAF CCc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 71282120 WOEYXUARYGYRCP-HSZRJFAPSA-N 404.598 6.266 0 1 HKAF Cc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2ccc(Cl)cc2)cc1 72122780 AQQYEWNSIFQWBL-UHFFFAOYSA-N 409.898 5.168 0 1 HKAF Cc1c(NC(=O)c2ccc(-c3ccccc3)cc2)ccc2cc(CN3CCCC3)cnc12 84670999 AGEXLZJKWUQKHA-UHFFFAOYSA-N 421.544 6.058 0 1 HKAF Cc1ccc(C[C@@H]2CN(C(=O)NC3CCCCC3)N=C2c2ccc(Cl)c(C)c2)cc1 95572392 UCDCIZSUJJLWLA-OAQYLSRUSA-N 423.988 5.878 0 1 HKAF CN(C)C(=O)O[C@H](c1cnccc1C(F)(F)F)c1ccc2c3c(cccc13)CC2 103189009 HLPIZFMHQWIZDK-FQEVSTJZSA-N 400.400 5.140 0 1 HKAF CO[C@]1(c2ccc(C(F)(F)F)cc2)C=CC(C2CCCCC2)(C2CCCCC2)OC1 103215735 SGWXMILQLJSAPB-HSZRJFAPSA-N 422.531 7.033 0 1 HKAF COc1cccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4cccs4)C3=C(O)C2)c1 104701311 KNQLJGLOUJWXEQ-GYCJOSAFSA-N 402.519 6.386 0 1 HKAF C[C@@H]1CCC([C@H](C)[C@H]2CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)=NC1 255260361 QAGPPGDCPAPQLW-KOGSYXCSSA-N 413.646 5.692 0 1 HKAF CCCN1C[C@H](C(=O)OC2CCCCC2)C[C@H]2c3cccc4c3c(cn4C(C)C)C[C@H]21 299808212 DMUHENPSSYBMDZ-JHMXWDHMSA-N 422.613 5.838 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c(CCc3cc4ccccc4o3)nc2c1 586902726 BXMJOCWUEWFYLS-UHFFFAOYSA-N 409.205 5.876 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2cc3ccccc3cc2[nH]1 586981285 GWGAAKDORDVAMD-UHFFFAOYSA-N 423.354 7.105 0 1 HKAF O=C1c2ccccc2-c2c(Cc3cccc(C(F)(F)F)c3F)cnc3ccc(O)c1c23 586985972 IMCFIFQGDWEYGF-UHFFFAOYSA-N 423.365 5.901 0 1 HKAF Cc1[nH]c(C(=O)O)c(C(C)C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990598 ZPSBBPHAYHZODM-UHFFFAOYSA-N 412.445 5.277 0 1 HKAF Clc1cccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c12 586996962 AAOSQINNHSTYPG-UHFFFAOYSA-N 413.702 6.225 0 1 HKAF CC(=O)c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 587010518 BYDSATGLGOZEIG-UHFFFAOYSA-N 404.516 6.533 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(Br)cnc2[nH]1 587013971 FBQDDERFPFGSEU-UHFFFAOYSA-N 405.708 5.473 0 1 HKAF COC(=O)c1cc2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2cc1OC 587063197 HRTNYERNLGGUBY-UHFFFAOYSA-N 422.868 5.258 0 1 HKAF COc1cc(Cl)ccc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587066821 SNTFMBZYSDRTGI-UHFFFAOYSA-N 405.601 5.673 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC[C@@H](OCc1ccccc1)C4)-c1ccccc1C2=O 587099494 KXFWWBGGGKQWBH-LJQANCHMSA-N 405.497 5.829 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cccc(OC(F)(F)F)c3F)nc3cccc1c23 587104286 RXKJECIEYJSNFO-UHFFFAOYSA-N 409.338 6.151 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C3 587105546 CYXFIHPOGIIBQW-FDDCHVKYSA-N 402.497 5.218 0 1 HKAF CCOc1cc(/C=C/c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)ccc1OC(F)F 587129079 BPTHVNRILIZXET-GQCTYLIASA-N 416.321 5.891 0 1 HKAF Cc1cc(Br)c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1F 587137553 BHLCKCPDCOSFCX-UHFFFAOYSA-N 407.592 6.112 0 1 HKAF Oc1c(Br)ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587151304 HCHMSTBZCYBZSX-KRWDZBQOSA-N 412.262 5.372 0 1 HKAF Cc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1Br 587205856 URRAURJFGHTBPQ-HNNXBMFYSA-N 410.356 5.116 0 1 HKAF CC[C@]1(c2ccc(OC(C)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351785 NGFOHZOJOAUJHO-UKILVPOCSA-N 420.436 5.121 0 1 HKAF O=Cc1cccc([C@]2(C3CCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587352935 KIEIAPHYJHIXPM-AHWVRZQESA-N 416.448 5.398 0 1 HKAF COc1cccc(-c2cc(-c3cc(F)c(N)c(F)c3)nc3c2oc2ccccc23)c1 587358452 BNAAPKODRJYFDT-UHFFFAOYSA-N 402.400 6.184 0 1 HKAF CCOc1ccc(Cc2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 587362201 GORWGYFMBNVDIZ-UHFFFAOYSA-N 409.485 6.646 0 1 HKAF COC(=O)c1ccc(-c2cccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)c(F)c1 587386739 WSKHAKGSORDITK-VWLOTQADSA-N 419.452 5.051 0 1 HKAF Cc1nc(-c2ccccc2F)sc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587500396 BKSAAVJZXLPHRD-DEOSSOPVSA-N 407.510 6.017 0 1 HKAF CC(C)c1ccc2[nH]c(C(C)(C)C)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587525540 NUWRJNRKUAHLBF-DEOSSOPVSA-N 415.577 7.174 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(OCC2CC2)c1 587555180 FRVFFCLFFFSIMI-QPPBQGQZSA-N 406.409 5.023 0 1 HKAF C[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558315 WJSLOKZDIZJBOT-GHTZIAJQSA-N 416.351 5.168 0 1 HKAF C[C@@]1(c2ccc(F)cc2N2CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568487 MOXQBBKMXNHFAZ-DHLKQENFSA-N 419.452 5.009 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@@H](c1ccccc1)c1ccccc12 587605447 ZUPVYQLXGYHRLT-HPKXWHFBSA-N 420.464 5.785 0 1 HKAF Cc1cc2c(c(C)c1Cl)[C@@]1(CCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587693565 DWXVRQBJIFOWBA-BIBXISHDSA-N 424.741 5.419 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc3nc(C(C)(C)C)oc23)N1 587776420 CJJWKXFTYGJSLZ-BMLIUANNSA-N 418.310 5.046 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)C(c1ccccc1)=C2c1ccccc1 587824579 XNWZTZLKGQQTIZ-HNNXBMFYSA-N 420.325 5.942 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2C2CCOCC2)N1 587836394 UEGLAOODGSXDFB-ZSEKCTLFSA-N 404.323 5.106 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3sc4ccccc4c32)N1 587859570 XELNZIRLFBQDGG-YBTHPKLGSA-N 402.332 5.527 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3ccccc3Cl)n2)cc1 587922522 DUKJCMSZFQNUBZ-UHFFFAOYSA-N 404.897 7.418 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(C(C)(C)c4ccccc4C)[nH]c3c2)cc1 587954593 BJQSAFBYESKXHP-UHFFFAOYSA-N 400.478 5.776 0 1 HKAF Cc1cc([C@@]2(C(F)(F)F)c3ccsc3CCN2Cc2cccnc2)ccc1F 962998738 VSRXEJYIYVNLLD-FQEVSTJZSA-N 406.448 5.455 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)s1 963233986 DQVPVLZQKMUODI-HJPURHCSSA-N 415.524 7.180 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CCC[C@H]1c1ccc(Cl)c(Cl)c1 963610394 OZFHIKCWTKNVGX-UMLSUDCWSA-N 406.353 5.708 0 1 HKAF O=C(Nc1ccc(F)cc1)c1c(NC(=O)C(F)(F)Cl)sc2c1CCCCC2 1772631533 CAOIJCLOFDIRFL-UHFFFAOYSA-N 416.852 5.179 0 1 HKAF CC(=O)N1CC[C@](C)(c2ccccc2)c2cc(NC(=O)O[C@H]3C[C@H]4CC[C@H]3C4)ccc21 1772655794 ITQQCHPTEKJWCH-QGHKNZBBSA-N 418.537 5.486 0 1 HKAF CC[C@H](C)CC(=O)OCC[C@H](C)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O 1857534499 MGQFEMTUZLJHRZ-QWBHILMTSA-N 408.667 6.766 0 1 HKAF Oc1ccc2c(c1)Cc1c(-c3ccccc3O)cc(-c3ccccc3C(F)(F)F)nc1-2 1857586848 JARFRCMKWGXNQD-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF O=C(Nc1cccc(Cl)c1)c1cc(C(F)(F)F)ccc1OCc1ccc(F)cc1 1857609910 BRWJSJFJAQUNOL-UHFFFAOYSA-N 423.793 6.329 0 1 HKAF O[C@@H](c1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn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c1ccccc1O)c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1 3666174 MAAPERHHXNWMII-UHFFFAOYSA-N 420.553 5.752 0 1 HKAF Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)sc2n1 4716596 DTFGLOUEXMCGCY-RVKKMQEKSA-N 414.619 5.099 0 1 HKAF O=C(Cc1ccncc1)N1CCC(=C2c3ccccc3CSc3ccccc32)CC1 11495143 CGUJAZPTZHYILX-UHFFFAOYSA-N 412.558 5.354 0 1 HKAF CCCc1nc(N(C)c2ccc(Cl)cc2Cl)n2ccnc(N(CC)CC)c12 13437376 FKNDDPQLOWCCCD-UHFFFAOYSA-N 406.361 5.603 0 1 HKAF Oc1cc(NCCCN[C@H]2CCc3c(Cl)cc(Cl)cc32)nc2ccccc12 13487797 TYDKIWXWMQGFBW-SFHVURJKSA-N 402.325 5.326 0 1 HKAF CN(C)C(=O)Cn1c(-c2cccc(F)c2)c(C2CCCCC2)c2ccc(C(=O)O)cc21 13609960 JCCZIDHWCRTLMF-UHFFFAOYSA-N 422.500 5.282 0 1 HKAF CC(=O)[C@@H]1CCCN(CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 13729514 MHFFBMJMWLECKT-LJQANCHMSA-N 406.353 5.400 0 1 HKAF CCN(CC)CCOCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 26383715 OPZQMZXXMIXWON-UHFFFAOYSA-N 402.362 5.054 0 1 HKAF COc1ccccc1[C@@H]1CN2CCC[C@@H]2c2cc(OCCCN3CCCCC3)ccc21 28885981 KGXVLSBKFYJYCG-CLJLJLNGSA-N 420.597 5.232 0 1 HKAF C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)[C@@H](O)CCC(C)(C)O 33820676 CJLCEMXSNQNVPU-DJALMNHZSA-N 416.646 5.705 0 1 HKAF O=C(O)CC/C=C/C[C@H]1CO[C@H](c2ccccc2Cl)O[C@H]1c1ccccc1O 35635983 WHUIENZXNGAHQI-LVXPSQKUSA-N 402.874 5.260 0 1 HKAF O=C(Nc1ccc(Oc2ccnc3ccsc23)cc1)N[C@@H]1C[C@H]1c1ccccc1 35932590 LQBCMMHTJOFOGM-AZUAARDMSA-N 401.491 5.766 0 1 HKAF CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5ccco5)CC4)cccc3[nH]2)cc1 40954893 YSRWKXRZJPRKLP-UHFFFAOYSA-N 414.553 5.443 0 1 HKAF CCCC[C@@H](Sc1ccc(OCCCOc2cccc(OC)c2)cc1)C(=O)O 43020475 UKCHEONEJZMTLM-OAQYLSRUSA-N 404.528 5.279 0 1 HKAF Cc1ccc(NC(=O)Nc2ccccc2)cc1-c1ccc(C(=O)Nc2ccncc2)cc1 45193437 DBDXAWOWQZPDDN-UHFFFAOYSA-N 422.488 5.953 0 1 HKAF CC(C)c1cc2c3c(c1OC(=O)c1cccnc1)OC(=O)[C@@]31CCCC(C)(C)[C@@H]1CC2 49113728 OGYFBONYYOSCIW-AFMDSPMNSA-N 419.521 5.354 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCc2ccc(F)cc2)C(C)(C)CCC1 72111291 MTXFIWLZPGLFSQ-PPBWNBFDSA-N 407.573 6.974 0 1 HKAF Cc1nc2cc(C(=O)NCc3ccccc3)ccc2n1Cc1ccc(Cl)c(Cl)c1 72182383 MMXRLRJMNSZKIC-UHFFFAOYSA-N 424.331 5.630 0 1 HKAF NC(=O)c1ccc2cc(C(=O)Nc3ccc(-c4cccc(Cl)c4)cc3)ccc2c1 73197371 NXKREINPQMBITB-UHFFFAOYSA-N 400.865 5.511 0 1 HKAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2ccc(F)cc2)C1 82139815 ZGUMREAGTIRXSI-RTBURBONSA-N 424.564 5.170 0 1 HKAF O=C(Nc1ccc(F)cc1)N1CCc2ccsc2[C@@H]1c1ccc(C(F)(F)F)cc1 84653760 ULKZMLUPDOZBMM-SFHVURJKSA-N 420.431 6.086 0 1 HKAF O[C@H](CSc1ccc2ccccc2c1)[C@@H](O)Cn1c2ccccc2c2ccccc21 84690385 RIYSVVFJTIFQHK-IZZNHLLZSA-N 413.542 5.462 0 1 HKAF COc1cc2c(cc1C=C(C)C)[C@H]1COc3c(ccc(OC)c3CC=C(C)C)[C@H]1O2 95099502 OWVQBBXRFSSWLP-QFQXNSOFSA-N 406.522 6.245 0 1 HKAF biogenic,in-vitro Nc1nccn2c(-c3ccc(C(=O)O)cc3)nc(-c3ccc(Oc4ccccc4)cc3)c12 96168203 BZZGLDLSRNXULI-UHFFFAOYSA-N 422.444 5.136 0 1 HKAF COc1cc2c(cc1OC)[C@H](CCCCCOC(=O)Nc1ccccc1)N(C)CC2 96923169 SOJCPVHJSUNSID-NRFANRHFSA-N 412.530 5.042 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@H]1/C(=C/c1ccc(-c4ccccc4)c(Cl)c1)CN2C3 100950998 AQWNEEQYGAZQAV-PBPGVRQZSA-N 421.968 5.684 0 1 HKAF CC1(C)Oc2cc(Br)ccc2-c2[nH]c(-c3c(F)cccc3Cl)nc21 147814681 YLOVEMBLTPGNNW-UHFFFAOYSA-N 407.670 5.926 0 1 HKAF COc1cccc2nc(COc3ccc(-c4nn(C)cc4-c4ccncc4)cc3)ccc12 169326634 HHXGFVGBIHLXOB-UHFFFAOYSA-N 422.488 5.285 0 1 HKAF CCc1nc2ccc(Cl)cn2c1C(=O)N(C)Cc1ccc(-c2ccccc2)cc1 169327644 BCTURZGKJUIXDA-UHFFFAOYSA-N 403.913 5.489 0 1 HKAF N=C(Nc1ccc(OC(F)(F)F)c(CSC2CCCC2)c1)c1cccs1 169352380 LRKLBIWVBTXVDV-UHFFFAOYSA-N 400.491 6.260 0 1 HKAF C/C=C/CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 169711165 NGHDXYJXIZZENU-PDMLNYEFSA-N 408.586 5.644 0 1 HKAF CC(C)(C)C1=NN(c2ccc(C(=O)O)cc2)[C@@H](c2ccc(Br)cc2)C1 203853881 CEUNDWNTJHBJOM-QGZVFWFLSA-N 401.304 5.501 0 1 HKAF COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCN(Cc3ccc(Cl)cc3)CC1)C2 205506825 VGQNXCDLTRSTAF-IBGZPJMESA-N 413.945 5.015 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255196319 APYVEUGLZHAHDJ-GMWBQBKESA-N 404.679 6.439 0 1 HKAF CCCCC1CCC(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CC1 586893419 XNQSKSJYIVIGEK-UHFFFAOYSA-N 419.285 6.688 0 1 HKAF Cc1cc(Br)ccc1OCc1nc2ccc(OCc3ccccc3)cc2[nH]1 586981905 WNYSNDYTILRVAV-UHFFFAOYSA-N 423.310 5.792 0 1 HKAF Cc1c(-c2cccc(C(F)(F)F)c2F)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586992519 GPSHPOLWSBJKGY-UHFFFAOYSA-N 421.393 6.888 0 1 HKAF N=C(N)c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 587011562 PQZNPLRBNUOXKQ-UHFFFAOYSA-N 404.520 5.614 0 1 HKAF CC[C@H](Oc1ccccc1Cl)c1nc2cccc(I)c2[nH]1 587062513 UNOKBVVTZPRWIQ-ZDUSSCGKSA-N 412.658 5.351 0 1 HKAF Clc1cccc(-n2nc(-c3nc4cc5cn[nH]c5cc4[nH]3)cc2-c2ccco2)c1 587068024 FWNRLOAQINQBRG-UHFFFAOYSA-N 400.829 5.205 0 1 HKAF Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3ncc[nH]c-3n2)cc1 587076956 OCMZGACBSWSORO-SQFISAMPSA-N 409.880 5.660 0 1 HKAF CCCCNc1nc(C)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)s1 587102133 RJDNCXVNAVIFNB-UHFFFAOYSA-N 413.546 6.399 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(-c5cccs5)cc4)nc13)-c1ccccc1C2=O 587102406 PKCGMQQZODIMFZ-UHFFFAOYSA-N 403.506 7.150 0 1 HKAF Cc1cc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2cc1Cl 587153985 IADIWJOQSIAINE-UHFFFAOYSA-N 415.877 5.132 0 1 HKAF c1ccc(CNc2ncccc2-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 587229593 IJUSATGSRSHJCV-UHFFFAOYSA-N 408.530 6.388 0 1 HKAF COc1cccc(-c2c(C(C)C)c([C@@H]3CCCNC3)nc3c2oc2ccccc23)c1 587361995 CBBDDZMGONFXGC-GOSISDBHSA-N 400.522 6.247 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCN(Cc1ccccc1)C(=O)OC(C)(C)C)O2 587386002 GJBQWDWZMWQFJU-VWLOTQADSA-N 424.541 5.129 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3ccc(C(F)(F)F)cc3n1)CC2=O 587463497 BFGIYLBAYLQCTP-HXUWFJFHSA-N 401.384 5.618 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCc3ccc(F)cc3)c1)CC2=O 587472465 RCQVAIKHXHXIAI-DEOSSOPVSA-N 406.453 5.769 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3sc(Br)cc31)CC2=O 587497383 VXEAKYIECZGZSX-IBGZPJMESA-N 407.329 5.366 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1C(F)(F)F 587544468 DZLIWDOEOFGJQY-XLIONFOSSA-N 404.315 5.253 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccccc2)[nH]c1Cl 587554900 YDRXRSDZJPVKRW-UTKZUKDTSA-N 418.836 5.139 0 1 HKAF C[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558316 WJSLOKZDIZJBOT-NQIIRXRSSA-N 416.351 5.168 0 1 HKAF Cc1ccc(-c2cnc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1C 587585736 HHPYKXYLXDYXCP-URXFXBBRSA-N 413.429 5.367 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCc1ccccc1)c1ccccc1 587600630 BNCCRNMINRLMRV-LBNVMWSVSA-N 422.480 5.882 0 1 HKAF C[C@]1(CCc2ccc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613453 OXJDZAYUXFVEHR-WIYYLYMNSA-N 400.883 5.460 0 1 HKAF COC(=O)c1c(-c2c(-c3ccccc3Cl)noc2C)[nH]c2c(C)cc(Cl)cc12 587623700 LYHGLGMIKBGUQB-UHFFFAOYSA-N 415.276 6.200 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cnn(-c4ccccc4)c3C)c2c1 587640579 BCZJTISXRGXYJY-OAHLLOKOSA-N 415.493 5.193 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c([C@@H](C(=O)O)c3cccc(Cl)c3)c2c1 587642189 QMOIUJSZPQBKEK-MWTRTKDXSA-N 417.936 7.218 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2C(F)(F)F)N1 587713580 SRHXOFHMYMZSJM-ZKANADHPSA-N 422.647 5.884 0 1 HKAF C[C@@H](c1ccc(C(F)(F)F)cc1)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587717291 WUWWVSTZUNQGSI-DDBGAENHSA-N 416.256 5.986 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CSC(F)F)o2)N1 587722437 YQLXZKCLYWWIJT-VXJOIVPMSA-N 406.267 5.261 0 1 HKAF CCCOc1c(OC)cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587788841 AFVDGYHDFUAVEA-HXPMCKFVSA-N 408.311 5.009 0 1 HKAF Cc1ccc(C)c([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587813010 ACRRSSZZTOLSEH-MZNJEOGPSA-N 424.357 6.031 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]2C(=O)c2ccccc2)N1 587824118 UOLRCDOCJIHRAL-ZQWRNJAYSA-N 402.307 5.001 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N)cc2)(c2cccs2)N1 587854996 VAIQUWDYPLVBAV-ODXCJYRJSA-N 417.347 5.058 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccnc2cc(Cl)ccc12 587855786 RUCAOXVHMQUXBG-UHFFFAOYSA-N 418.711 6.446 0 1 HKAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cccc(OCc3ccccc3)c2[nH]1 587926855 LQEANNQGMKDUNB-IBGZPJMESA-N 402.494 5.701 0 1 HKAF COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ncc[nH]c-4n3)CCCC(C)(C)[C@@H]1CC2 587932068 KFLWGHBGGCYANH-SSOJOUAXSA-N 420.557 5.201 0 1 HKAF CCc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)nc3sc(CC)nn23)cc1 653779462 NTOHNIHBQKREMR-UHFFFAOYSA-N 423.538 5.275 0 1 HKAF C[C@@H](Oc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1)c1c(Cl)cncc1Cl 653829570 YGIBFXGLELLTGI-GFCCVEGCSA-N 423.303 6.553 0 1 HKAF C[C@H](CC[C@H]1c2ccsc2CCN1Cc1cccn1C)N(C)C(=O)OC(C)(C)C 962368644 BAPNTINSMRAVKE-XLIONFOSSA-N 417.619 5.222 0 1 HKAF C[C@]1(c2cnc3ccsc3c2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962955966 MODGUVPMCCTJRY-HXUWFJFHSA-N 418.484 5.230 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(C)c(C)n(-c3ccc(OC)cc3)c2C)N1 962962749 YJPJQLDEYUIPGI-XHCCPWGMSA-N 413.565 5.906 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@@H]3Cc1c(-c2ccccc2)[nH]c2ccccc12 963059318 QOFFCJDRWRZOQE-XMMPIXPASA-N 419.528 5.821 0 1 HKAF COc1ccc([C@]2(c3cccc(C)c3)c3ccc(F)cc3C[C@H]3CCCN32)cc1C 963096263 MVNDZIZETQKVMC-SHQCIBLASA-N 401.525 5.764 0 1 HKAF COc1ccc(-c2cc(Cl)ccc2F)cc1[C@H](CC(=O)O)c1ncc(C)s1 1772620648 ZTTHKGRCIOPPHZ-INIZCTEOSA-N 405.878 5.526 0 1 HKAF Clc1cccc(Cl)c1/C=C/c1cc(Br)cc(Br)c1 1772624872 ABKQXMBLCTYWQG-SNAWJCMRSA-N 406.932 6.689 0 1 HKAF Cc1ccc(Cn2c3ccccc3c3cc(CO)nc(-c4c[nH]c5ccccc45)c32)cc1 1857764538 BTTRHEYCESPUJB-UHFFFAOYSA-N 417.512 6.187 0 1 HKAF COc1ccc(/C(C)=C(\CCCC(=O)NCc2ccccn2)c2ccccc2)cc1 1911573925 HUHJISLYYLWBSL-LKUDQCMESA-N 400.522 5.508 0 1 HKAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]5(CC[C@H](Cc6ccccc6)C5)[C@@]3(C)[C@@](C)(C4)[C@@]21O 2356368991 CFYWJOPGYQODMB-GIYIDIMDSA-N 408.582 5.290 0 1 HKAF CCC1=C[C@](C=Cc2ccccc2)(CC)[C@](CC)(C(=O)O)[C@@H]2[C@H](CC)C(=O)[C@@H](CC)[C@H]12 2356417889 PONZNCXOVALNKD-PDZDBSMNSA-N 422.609 6.795 0 1 HKAF CC1CCC2(CC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 2356455508 XFPSVMNKBLSWJA-CCXWIPQWSA-N 412.658 6.520 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@H]1[C@]3(C)CC[C@@H]2C(C)(C)CCC[C@]21C 2356464952 GNSWPULAOZONLL-KVRAXFESSA-N 410.730 9.342 0 1 HKAF CC(C)=CCCC(C)=CCC[C@H](C)[C@]1(C)CCC2=C1CC[C@H]1C(C)(C)CCC[C@@]21C 2356517412 JCONZYYZINSVKI-FOZWXVBRSA-N 410.730 9.819 0 1 HKAF CC1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@]3(C)C(C)(C)CCC[C@@]43C)[C@@H]2[C@@H]1C 2356518848 DZINXMCMPUDAJI-QYDREIQJSA-N 424.757 9.444 0 1 HKAF CC[C@@H](CCC(C)=C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356671520 BRVYWOZQRGZTAN-MBHGKKBJSA-N 412.702 8.089 0 1 HKAF CCCCC[C@@H](CCCC)[C@@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O 2356681684 CABQQMKYOHAMAC-NFBKMPQASA-N 406.563 5.611 0 1 HKAF CCOc1ccccc1-c1onc(-c2ccc(OC)cc2)c1C(=O)N[C@@H](C)C(C)C 774295 KARDBJNMDDDVHT-INIZCTEOSA-N 408.498 5.190 0 1 HKAF COc1cc(Nc2nc3cc(C)ccc3nc2-c2ccccc2)cc(OC)c1OC 1633066 MCVPJAKVKADPKQ-UHFFFAOYSA-N 401.466 5.375 0 1 HKAF CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Cl)cc3Cl)c(CC(=O)O)n2C1 13737360 HUGNNCOKZGGLDP-UHFFFAOYSA-N 414.332 6.338 0 1 HKAF CCN(CC)C(=O)Cc1ccc(Sc2cc([C@]3(C)COC(C)(C)O3)cs2)cc1 13743613 BBNZCJBOOROYME-QFIPXVFZSA-N 419.612 5.308 0 1 HKAF C/C(=C\c1ccc2nc(-c3cccc(-c4ccc(C(C)(C)C)cc4)n3)[nH]c2c1)C(=O)O 13976788 SMUOGMDDHGOPAN-JQIJEIRASA-N 411.505 6.077 0 1 HKAF COc1cc(O)cc(O)c1C(=O)[C@H]1[C@@H](c2ccc(O)cc2)CC=C(C)[C@@H]1CC=C(C)C 14636854 UDUSGBMXZRNBJM-YZUZCNPQSA-N 422.521 5.717 0 1 HKAF biogenic CCCC[C@@H](O[C@H]1CCCCO1)c1cccc(OCc2ccccc2C(=O)OC)c1 25991699 TZFTXDYHWLEEGK-RPWUZVMVSA-N 412.526 5.827 0 1 HKAF CC(=O)Nc1ccc(-c2cc(OCCCCC(C)(C)C(=O)O)nc3ccccc23)cc1 27435242 RCEDOEDXASASBX-UHFFFAOYSA-N 420.509 5.520 0 1 HKAF CONc1ncnc2c1n(C/C=C(\C)CC/C=C(\C)CCC1CCCCC1)c[n+]2C 28816598 BIWADQLWXMDPIV-WOWYBKFKSA-N 412.602 5.262 0 1 HKAF COc1ccc(C2=NN[C@H](c3cc4cc(Br)ccc4nc3Cl)C2)cc1 31905865 AQBPHVFYERZJRX-SFHVURJKSA-N 416.706 5.098 0 1 HKAF Fc1ccc2[nH]c(-c3ccc(-c4ccc(CNCCc5ccncc5)cc4)cc3)nc2c1 45302039 IVSUWNYIXVKNMB-UHFFFAOYSA-N 422.507 5.763 0 1 HKAF CCOc1ccc(Sc2cnn(Cc3cccc4ccccc34)c(=O)c2Cl)cc1 73258163 GIJDTNHSCXVKIH-UHFFFAOYSA-N 422.937 5.648 0 1 HKAF CCCCCc1nc(-c2cnc(NC3CCCC3)nc2-c2ccccc2C)oc1C 82177106 PCTJWASLXLPQPN-UHFFFAOYSA-N 404.558 6.503 0 1 HKAF O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1cc(-c3cccnc3)cn12 96923827 WTSUHKWRQOGBNZ-UHFFFAOYSA-N 414.852 5.645 0 1 HKAF CC(=O)OC[C@H]1[C@@H]2CC[C@@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccccc2)cc1)C3 100950941 KUMJBZOBGCDDHP-RNAIPDHJSA-N 401.550 5.421 0 1 HKAF C1=C(c2ccc3ccccc3c2)C[C@H]2CC[C@H]1N2CCOc1cccc2cccnc12 101019781 ZAEWLZXHWVJTGL-CLJLJLNGSA-N 406.529 6.087 0 1 HKAF CCc1cc(-c2cccc(C3=Nc4cc(C)c(C(F)(F)F)cc4NC(=O)C3)c2)ccn1 101383281 CHTAULFZQPVWNJ-UHFFFAOYSA-N 423.438 6.101 0 1 HKAF Cc1ccc(OCc2ccccc2-c2nc(-c3ccc(O)c(C(N)=O)c3)cs2)cc1 103198597 AVQVXSJNRHCREH-UHFFFAOYSA-N 416.502 5.169 0 1 HKAF FC(F)(F)c1ccncc1CNc1ccc(Cc2c[nH]c3ncc(Cl)cc23)cn1 117443160 JOPUUWAQIQBQBZ-UHFFFAOYSA-N 417.822 5.228 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1nc(-c2ccccc2)no1 118921594 ZWGSCCFOMAPXIW-ZTFSMFBVSA-N 416.565 6.054 0 1 HKAF Cc1nc(-c2cccc(CN3C(=O)CCC[C@H]3c3cccc4c3OCCO4)c2)cs1 166601881 CCTLUOQMQMZQPD-NRFANRHFSA-N 420.534 5.144 0 1 HKAF CCOc1cccc(F)c1[C@H]1C[C@H](C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 167455749 PHWSQDIMXZLFQJ-SUMWQHHRSA-N 411.395 5.233 0 1 HKAF O=C(Nc1ccc(N2CCC(Oc3ccccc3)CC2)cc1)N1Cc2ccccc2C1 167601767 BKSRMNLABPIGHK-UHFFFAOYSA-N 413.521 5.282 0 1 HKAF c1ccc(-c2cc(CNc3nccc(Nc4cc(C5CCCCC5)[nH]n4)n3)on2)cc1 203004652 SXQZODJKSPLQFK-UHFFFAOYSA-N 415.501 5.258 0 1 HKAF C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)/C(=C/c3ccccc3Br)[C@@H]2CC1 299821327 KGKOCLWTNMKZIA-RSPRIGIOSA-N 403.316 5.052 0 1 HKAF CCc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccco2)s1 299879174 KINYATIIQDKZHA-KJWYOANISA-N 408.571 5.905 0 1 HKAF FC(F)(F)c1cc(Br)cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587079901 IMECWVDJWYGWBV-ZDUSSCGKSA-N 417.612 5.674 0 1 HKAF FC(F)(F)c1cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2cc1Cl 587085588 VQYIKNNQJVTXNZ-UHFFFAOYSA-N 409.198 6.013 0 1 HKAF COc1ccc([C@H](C)c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1OC 587097224 JOTYIKDFVPYBOW-INIZCTEOSA-N 409.485 5.924 0 1 HKAF COc1cc2c(c(OC)c1OC)-c1nc3cccc4c3c(c1CC2)-c1ccccc1C4=O 587107989 YMYZUWGOIJXUNY-UHFFFAOYSA-N 423.468 5.238 0 1 HKAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587109828 VYEZZWGWWCQJRE-UHFFFAOYSA-N 424.684 5.499 0 1 HKAF Fc1cc2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc2cc1-n1cccn1 587128766 PTTWMLLYFJSEKW-UHFFFAOYSA-N 411.412 5.616 0 1 HKAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3ccc4c(c3[nH]2)CCCC4)c1 587155304 WSACNXOSOTUXRB-UHFFFAOYSA-N 421.497 5.049 0 1 HKAF CC(C)(C)[C@@]1(CCC2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353075 LBWXLEQBARJGDM-BVAGGSTKSA-N 410.529 6.646 0 1 HKAF COc1cccc(-c2cc(-c3ccc4c(cnn4C)c3)nc3c2oc2ccccc23)c1 587362420 DSZAQKSYJBGFPM-UHFFFAOYSA-N 405.457 6.210 0 1 HKAF CCc1ccc(Nc2ncc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)s2)cc1 587449705 GPVZWYWCNWGQPP-UZUQRXQVSA-N 406.507 5.121 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC)c(Br)c1)CC2=O 587456276 LYBZQSCSLOZSIZ-IBGZPJMESA-N 405.288 5.212 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCC)(c1cc(Br)ccc1F)CC2=O 587465144 BFKQLVOTBSYSTH-NRFANRHFSA-N 421.306 5.907 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(C)(C)C)cc(C(C)(C)C)c1OC)CC2=O 587475527 ALKQGROXIKWMMY-QHCPKHFHSA-N 424.581 6.655 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1coc3c1cc(O)c1ccccc13)CC2=O 587480811 LBAQESVXCXICQS-VWLOTQADSA-N 402.446 5.830 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3cccc(OC)c3)cc1)CC2=O 587484124 XYWVGJUHPLCHFK-RUZDIDTESA-N 418.489 5.639 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCC)(C1(c3ccccc3)CCNCC1)CC2=O 587485622 PSAZDGUODWCEEK-AREMUKBSSA-N 407.554 5.170 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1ccc(SC)cc1)CC2=O 587491052 IBJJTQMEYVRXFB-XMMPIXPASA-N 404.531 6.440 0 1 HKAF C[C@]1(c2c[nH]c3ncc(Br)cc23)CC(=O)c2ccc3c(c2O1)CCCC3 587497979 NKDVXYSBUHHTGY-OAQYLSRUSA-N 411.299 5.085 0 1 HKAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1SC(F)(F)F 587502491 FFXZTYCGHHMUNL-KRWDZBQOSA-N 408.441 5.892 0 1 HKAF O=C(O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c(F)c1 587506778 PHMPLNIUURFPAL-DEOSSOPVSA-N 416.448 5.776 0 1 HKAF O=C1C[C@@H](c2c[nH]nc2-c2ccc(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 587509737 WVDLVTSHWXVQAV-FQEVSTJZSA-N 413.304 5.969 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(Cl)c(Cl)c1 587557824 OSCPKAPNLFEEJI-OXJNMPFZSA-N 405.208 5.541 0 1 HKAF COC(=O)c1cc2nc(COc3ccc(C)cc3)[nH]c2c(F)c1Nc1ccccc1 587565355 CQYJQRJPOMRKCM-UHFFFAOYSA-N 405.429 5.120 0 1 HKAF C[C@@]1(c2ccc(F)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573140 XYPQSBQEHDHYLV-DHLKQENFSA-N 400.405 5.562 0 1 HKAF COc1ccccc1[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600601 ORQQNFSLJYVYPU-BWKNWUBXSA-N 404.462 5.304 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2ccsc2)n1 587618075 MMOQHFAGFYRCLV-NZQKXSOJSA-N 401.443 5.219 0 1 HKAF COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccc(Cl)c(Cl)c1 587627820 BDXVQPNQINHMOR-UHFFFAOYSA-N 400.620 5.285 0 1 HKAF CCOC(=O)C(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2ccc(F)c(Cl)c12 587628960 WMXQRKDPOLBTAR-UHFFFAOYSA-N 414.647 5.680 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncc(Cl)cc2Cl)N1 587692076 ATJJBPRBXNVCCA-BCTVWOGZSA-N 404.110 5.088 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(Cl)c2Cl)N1 587692553 LGYJUAQXOGJMJB-GYKQLYQFSA-N 405.094 5.224 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccc(F)cc3)cs2)N1 587735939 RVRKWDOCTBYHLN-XTZNXHDOSA-N 421.310 5.474 0 1 HKAF CC(C)n1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 587756779 MALNHZPOYMWBSK-CWTRNNRKSA-N 402.311 5.142 0 1 HKAF Cc1cccc([C@@H]2CC(=O)C[C@@]3(C2)N[C@@H](C)Cc2cc(Br)c(F)cc23)c1 587816846 DZIVVPUBJKYNJA-WTBBCNCBSA-N 416.334 5.163 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(C=O)c2)(C2CCCC2)N1 587819120 LGBRJXFEMBDXES-JLCFBVMHSA-N 416.334 5.369 0 1 HKAF CC(C)[C@]1(c2ccc(Cl)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 587848319 NRABDDRSEGHZGU-QGHHPUGFSA-N 402.760 5.737 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccsc3)cc2)N1 587852412 GLJULAFRSKWBPE-MPBGBICISA-N 402.332 5.940 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C1CN(C(=O)OC(C)(C)C)C1 587859191 GVOKIXSAHWUTBK-UHFFFAOYSA-N 412.317 5.047 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Nc1ccc(Cl)cc1 587865014 OPTOMFCEPKRRCP-UHFFFAOYSA-N 409.795 5.701 0 1 HKAF CCN(CC)CCN1CC[C@]2(N(C)C)C[C@@H](c3ccccc3)[C@@H]1[C@@H](c1ccccc1)C2 653862735 HBLUYRQMOSSYET-KXSOJQAOSA-N 419.657 5.064 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@@]2(C)C[C@]3(NCCc4cc(-c5ccccc5)ccc43)[C@@H]12 962671624 UDIDHTYBMKINBB-UCGXPXSYSA-N 404.554 5.114 0 1 HKAF NC(=O)N1CCc2sccc2[C@]12C=C(c1ccccc1)Oc1ccc3ccccc3c12 962703520 DHLQEGBXHIWTCV-SANMLTNESA-N 424.525 5.515 0 1 HKAF Clc1cc(Cl)c2c(c1)[C@@](c1cccs1)(c1ccc(Cl)s1)NCC2 963110841 QJKRCFBJINVICY-QGZVFWFLSA-N 400.783 6.207 0 1 HKAF Cc1ccc(-c2nc3sccn3c2CNCCc2ccc(Cl)c(Cl)c2)cc1 1857539181 LFTLJKWKJWXAPZ-UHFFFAOYSA-N 416.377 6.010 0 1 HKAF CC(C)CC1=NC(C)(C)C(=O)N(c2ccc(NCCN)cc2)c2cc(Cl)ccc21 1857604032 NGFVIIORWICJQR-UHFFFAOYSA-N 412.965 5.003 0 1 HKAF COc1ccc(-c2nc3cc(NC(=O)[C@H](C)Oc4cccc(F)c4F)ccc3o2)cc1 1857763117 PRSGYDHKSWNSGX-ZDUSSCGKSA-N 424.403 5.188 0 1 HKAF CC(C)=CCOc1cc(C)cc(C(=O)c2c(CC=C(C)C)ccc(O)c2C=O)c1O 2356328519 WWWVOSFJSWNKAQ-UHFFFAOYSA-N 408.494 5.303 0 1 HKAF C[C@H](CO)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356592627 DUZMPSZAXXOQBT-NQOTVUKFSA-N 416.690 6.607 0 1 HKAF CC(C)=CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CCC(C)=CCO)[C@](C)(O)CC[C@H]21 2356638566 JRRMXXZTUUZDPE-RSPHESMNSA-N 406.607 5.188 0 1 HKAF O=C(Nc1cccc(Cl)c1)O[C@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1[C@H]2Cc1ccccc1 263590689 IELIOODNGWJBMA-FBHBTBFLSA-N 424.972 5.763 0 3 HKAF COc1ccccc1CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccccc1 2481731 JODYJWWPPNDAME-UHFFFAOYSA-N 418.880 5.601 0 1 HKAF CCC(NC(=O)Nc1c(Cl)cc(Cl)cc1Cl)(C(F)(F)F)C(F)(F)F 3189007 IUQRYQCPKTZBGO-UHFFFAOYSA-N 417.564 6.042 0 1 HKAF biogenic O=[S@](Cc1cnc2ccccc2c1)c1nc2ccccc2nc1-c1cccs1 5594252 GCUSBHRMPQHXPM-NDEPHWFRSA-N 401.516 5.214 0 1 HKAF C[C@H]1C[C@@]2(C)Oc3ccccc3[C@@H]3OC[C@@]1(COC(=O)Nc1ccccc1)[C@@H](C)[C@@H]32 12656352 UONFBIWUOHBYQS-NXXWELQTSA-N 407.510 5.436 0 1 HKAF Cc1ccc(C2=CCN(CCCC[C@]34CCCc5cccc(c53)NC4=O)CC2)cc1 13473712 RECHTWDQRNLGLO-MHZLTWQESA-N 400.566 5.481 0 1 HKAF COc1ccc(C(=O)Nc2ccc(O)cc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 13557924 RWCBCCQKDBTBSG-UHFFFAOYSA-N 418.493 5.203 0 1 HKAF O=C(Cc1nc(-c2ccc(Cl)cc2)oc1-c1ccsc1)OCc1cccnc1 27075546 OIXMIXNVDNSYEV-UHFFFAOYSA-N 410.882 5.404 0 1 HKAF O=C(CCc1cn(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12)Nc1ccncc1 28390922 RWOAHUKRRFNSPY-UHFFFAOYSA-N 424.331 5.963 0 1 HKAF CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCCCCc1ccccc1 29240445 OSVBAMGGOCLDIG-KYPHJKQUSA-N 417.634 5.013 0 1 HKAF O=C(/C=C/C=C(c1ccc(F)cc1)c1ccc(F)cc1)NCCCCc1cccnc1 29488050 LAUSVRPTAXRLJF-FPYGCLRLSA-N 418.487 5.487 0 1 HKAF C[C@@H](c1ccccc1)n1c(NC2CCN(CCc3ccccc3)CC2)nc2ccccc21 29566218 RAAPCJPEIOLORX-QFIPXVFZSA-N 424.592 5.765 0 1 HKAF COC(=O)[C@H](Oc1ccc(Cl)cc1)c1ccc(Oc2ccc(C(C)(C)C)cc2)cc1 39242753 FLXQUXSXQSOKHW-HSZRJFAPSA-N 424.924 6.723 0 1 HKAF CCCO[C@@H](c1ccc(Br)cc1)[C@@H](SC(C)(C)C)n1cnc(C)c1 45366022 CLRSLKWUYWDGQJ-ZWKOTPCHSA-N 411.409 6.152 0 1 HKAF O=C(NCCCN(c1ccccc1)c1nsc2ccccc12)c1ccc(F)cc1 64559593 IOZOIWATEOTHJD-UHFFFAOYSA-N 405.498 5.394 0 1 HKAF CCCCc1ccc(C2=Nc3ccccc3N[C@@](C)(c3ccc(CCCC)cc3)C2)cc1 68587660 GZIWXQCGQXUYPA-SSEXGKCCSA-N 424.632 8.224 0 1 HKAF biogenic Brc1cccc([C@]2(Cc3ccccc3)c3ccccc3-c3nccn32)c1 72110158 LFQYXAFLCDMJKF-HSZRJFAPSA-N 401.307 5.661 0 1 HKAF O=C(Nc1ccc(Oc2ccc3ccccc3c2)c(Cl)c1)c1cccc(Cl)c1O 72112306 ANRJUAUFZXEUPS-UHFFFAOYSA-N 424.283 6.897 0 1 HKAF c1cncc(CN(Cc2cccnc2)Cc2coc(-c3cccc4ccccc34)n2)c1 72182589 XTTPVYLYVULIJC-UHFFFAOYSA-N 406.489 5.487 0 1 HKAF CCCCNc1ncc(C(=O)NCc2ccccc2Cl)c(-c2ccccc2F)n1 82152528 KDEOVDWJJYRVRQ-UHFFFAOYSA-N 412.896 5.078 0 1 HKAF C[C@H]1C[C@H](C)CN(c2ncc(-c3nc4ccccc4s3)c(-c3ccc(F)cc3)n2)C1 82164586 OQSHMWCWIOYBHD-HOTGVXAUSA-N 418.541 6.042 0 1 HKAF Cn1c2ccccc2c2cc([C@H]3CC(c4ccc(Br)cc4)=NN3)ccc21 84690855 VMWZEZFVBBDGKT-HXUWFJFHSA-N 404.311 5.533 0 1 HKAF O=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2ccccc2)c(-c2ccccc2)c1 113898651 ISPVTZXAQTYOIQ-UHFFFAOYSA-N 406.485 6.735 0 1 HKAF CC(C)CCC[C@@H](C)/C=C\C[C@@H](C)CCCC/C=C\CC/C=C\CCCC(=O)O 169636542 PRGDQWKNVBYEKH-IUQROTOHSA-N 404.679 8.739 0 1 HKAF CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@@H]1c1ccc(-c2ccccc2)cc1 169728292 NPCZTDPKZMXZAZ-RPBOFIJWSA-N 415.533 5.734 0 1 HKAF COC(=O)[C@@H](C/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)c1ccc(O)cc1O 205845124 CSTWZZSTTQKZMS-YWXOZIHTSA-N 414.542 5.879 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@]13C 238734337 DUXRZOJDWQOQKE-CKARLABJSA-N 422.697 8.297 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@H]4[C@@]5(C)CCCC(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 238766898 VCNKUCWWHVTTBY-QHPUVITPSA-N 412.746 9.278 0 1 HKAF Oc1cc(O)c2c(c1)CCCCCC=CCCCCCCCc1cc(O)c-2c(O)c1 299806102 HOVAOLZRJGYNIZ-UHFFFAOYSA-N 410.554 6.732 0 1 HKAF Cc1cc2c(Br)ccc(-c3nc4cc(F)cc(Br)c4[nH]3)c2o1 587002503 AQXDBSAEILFFIE-UHFFFAOYSA-N 424.067 5.949 0 1 HKAF COc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1C 587070325 GNJOCBUKVKEDRT-INIZCTEOSA-N 415.921 5.342 0 1 HKAF CC(C)(C)c1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2n1 587071427 MWTFDYKOYRLORD-ZROIWOOFSA-N 417.940 6.658 0 1 HKAF COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1-c1ccccc1 587107429 SNENIYPOHOZBDQ-UHFFFAOYSA-N 413.476 6.789 0 1 HKAF Cc1c(Br)cc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c2c1C 587166327 XQBRISNYNPYCLB-UHFFFAOYSA-N 412.306 6.062 0 1 HKAF CSc1ccc2nc(-c3cc(I)ccc3Cl)[nH]c2c1 587183210 VQYRNWQUXUXDBS-UHFFFAOYSA-N 400.672 5.210 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCCc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 587331759 PRJDTQDQFAJSOG-ILBGXUMGSA-N 422.883 6.166 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](C)C[C@H]3c2ccccc2)c1 587365686 ILTPUJREWHTPCF-MBSDFSHPSA-N 419.524 7.371 0 1 HKAF CC[C@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587375279 MDYXUVUWVQFEOV-TZIWHRDSSA-N 402.874 5.911 0 1 HKAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cccc(Cl)c1 587379195 TWDHAWYSISSLJN-QFIPXVFZSA-N 423.896 5.525 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccc(Cl)c3Cl)s1)O2 587410132 LLQGDZGSIUZNKH-MRXNPFEDSA-N 404.318 6.319 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)[nH]c4cc(Br)ccc14)[C@@H](C2)C3=O 587420456 WYADEJAGJRAKCH-KPZWWZAWSA-N 418.674 5.081 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(C)c(OCc4ccccc4)c(C)c1)[C@@H](C2)C3=O 587441557 FNZSWMMWBCGQNG-LVXARBLLSA-N 400.474 5.380 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCC)([C@@H](CC)Sc1ccoc1C)CC2=O 587491156 JLXZKKUAACUUSF-GGAORHGYSA-N 402.556 6.321 0 1 HKAF O=C1C[C@H](c2cc(Cl)ccc2OC[C@@H]2CCCO2)Oc2c1ccc1c2CCCC1 587498179 DBHHFDMEEKFNKU-GAJHUEQPSA-N 412.913 5.483 0 1 HKAF CCc1ccc([C@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587506749 OLVITKXPCJWZEJ-MHZLTWQESA-N 416.948 6.690 0 1 HKAF O=C1C[C@@](c2ccccc2)(c2ccc3cc(O)ccc3c2)Oc2c1ccc1c2CCCC1 587533223 OZTOBVXBBPDSDN-GDLZYMKVSA-N 420.508 6.333 0 1 HKAF O=C(O)CCC[C@]1(c2ccc(Cl)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587533917 ZACNFGUKUIPESQ-OAQYLSRUSA-N 404.915 5.396 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1c(Cl)cccc1Cl 587547025 RYQPICMQUKHIOD-UYAOXDASSA-N 415.272 5.662 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CSC(F)F)o1 587557401 RLXGUEFIAGZRLJ-APWZRJJASA-N 404.390 5.144 0 1 HKAF COc1cc(-c2[nH]c3cc(F)ccc3c2C(=O)C(F)(F)F)ccc1OC(F)F 587633417 CYZLOKMZJJAOAE-UHFFFAOYSA-N 403.278 5.329 0 1 HKAF C[C@@H]1CCc2sc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc2C1 587660898 JHWWGQDLVWKXAX-CQSZACIVSA-N 418.493 5.077 0 1 HKAF Cc1cc(Cl)cc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)nc12 587692161 AFQOVANSMGREJF-BIBXISHDSA-N 419.725 5.722 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccco2)N1 587700096 LQMOADNFGRUFBZ-MPBGBICISA-N 420.709 5.661 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)(F)F)cc2)N1 587717869 GYOOMCQHLZBRLE-JDNHERCYSA-N 404.201 5.110 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(Br)c2)N1 587728444 FAAOOURQNLCTIU-BCTVWOGZSA-N 417.091 5.113 0 1 HKAF Cc1ccc(-c2cnc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1C 587770613 ATILNFWNSLTLFM-RBZFPXEDSA-N 415.306 5.484 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)CCC3)(C(C)(C)C)N1 587810145 BZQNQRSHPJYXAE-LFVRLGFBSA-N 416.378 5.901 0 1 HKAF CC1=C(CC[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)CCC1 587810213 CEJSZMZOFHTSNN-IVZQSRNASA-N 408.399 6.644 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2(c3ccccc3)CCCC2)N1 587814143 GKDQYGXABAXLCV-QVKFZJNVSA-N 402.351 5.850 0 1 HKAF Cc1cc(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C=O 587815811 QKFGHPUCFRHKCI-ASSNKEHSSA-N 404.323 5.124 0 1 HKAF Cc1ccccc1C1([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CCOCC1 587833911 IMKCFNBKUJEYKN-BTYIYWSLSA-N 418.350 5.220 0 1 HKAF Cc1ccccc1[C@@]1(c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 587848596 ONEXLPBODTVCRZ-SPLOXXLWSA-N 416.359 5.784 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccccc3)s2)N1 587851225 BJAIAYAXGCQEOF-BBATYDOGSA-N 403.320 5.335 0 1 HKAF Cc1nc(-c2ccncc2)sc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587857115 ZUKGZVOVBODSMH-DYZYQPBXSA-N 418.335 5.039 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2ccccc2o1 587858553 JZMUHSKUGRSWNP-UHFFFAOYSA-N 401.249 5.690 0 1 HKAF Clc1cccc2c1SCC[C@@]21NC2(CC2)Cc2ccc(Br)cc21 961321927 KOXSAACPOYGHBA-LJQANCHMSA-N 406.776 5.520 0 1 HKAF Cc1ccc(Oc2ccccc2[C@@H]2c3ccsc3CCN2Cc2ccco2)cc1 962706041 GYEICIYNTVEZRI-RUZDIDTESA-N 401.531 6.590 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Br)cc2N2CCCC2)N1 962957452 TYOJNJQKHVYBTH-OPAMFIHVSA-N 424.386 5.544 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1ccc(C)cc1)c1ccc(Cl)c(Cl)c1 963244600 WSJPTBUGXCYUQM-AFMDSPMNSA-N 424.415 7.250 0 1 HKAF Oc1ccc2cc1Oc1ccc(cc1)CCc1cccc(O)c1Oc1ccc(cc1)CC2 1772604275 OUGCNLJLPHNEQU-UHFFFAOYSA-N 424.496 6.566 0 1 HKAF Clc1cc(Cl)cc(CCCN2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)c1 1857753624 DZZKSYTZLJLKIC-HBUYNFGHSA-N 419.440 5.821 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@@H]4[C@@H]3CC[C@]12C)C(C)C 2356426262 RUTWTMKUPVASND-GPKKYHHZSA-N 400.691 7.635 0 1 HKAF CC[C@@H](C)C(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3OC)n2)s1 8579130 OHVZATQYKCQODE-LLVKDONJSA-N 402.545 5.312 0 3 HKAF aggregator CCc1nc2c(OCCC3CCCCC3)cccn2c1N(C=O)Cc1ccccc1 61903996 HJYBXGWITFUTBC-UHFFFAOYSA-N 405.542 5.409 0 3 HKAF Cc1ccccc1-c1cc2nc(NCc3ccc4occc4c3)n(C)c(=O)c2s1 61904989 FVNSKRYSDZXFGI-UHFFFAOYSA-N 401.491 5.329 0 3 HKAF CC(C)CCC[C@@H](C)[C@H]1CCC2=C3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 5453140 GSHNIZXJELCQAO-ZWECLWEZSA-N 402.663 6.504 0 1 HKAF CN(C)c1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 13729758 VKRCVSSFTWNCBX-UHFFFAOYSA-N 404.510 5.505 0 1 HKAF CC(=O)OC1=C(c2ccccc2)Sc2ccc(Cl)cc2-n2c(CN(C)C)ccc21 13757070 QDHFXKARVSQPDI-UHFFFAOYSA-N 424.953 5.687 0 1 HKAF CCCN(CCC)C(=O)Cc1c(-c2ccccc2)nc2c(Cl)cc(Cl)cn12 13765529 JCVNDOYUSUCLPY-UHFFFAOYSA-N 404.341 5.499 0 1 HKAF COc1cccc2c1CCC[C@H]2CCCCCCN1CCN(C2CCCCC2)CC1 22931135 YWDVQCRTJZURGA-HSZRJFAPSA-N 412.662 6.016 0 1 HKAF COc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)oc3ccccc23)cc1Cl 26405031 HAUPIEHCTKNHQE-UHFFFAOYSA-N 413.882 5.076 0 1 HKAF COc1ccc([C@@H]2[C@@H](CCCc3ccccc3)CC(=O)N2c2ccc(OC)cc2)cc1 26745508 HXQJFSJXDVTCRD-WXVAWEFUSA-N 415.533 5.821 0 1 HKAF CN(C(=O)CCCOc1ccc(Cl)cc1Cl)[C@H]1CCCC[C@H]1N1CCCC1 26833926 RQIUSCCNFMWMFJ-RBUKOAKNSA-N 413.389 5.018 0 1 HKAF COc1ccc(N[C@H](c2ccc(OC)cc2)[C@@H](CCCc2ccccc2)C(=O)O)cc1 27197654 AUWKWKKZWGHXTL-JWQCQUIFSA-N 419.521 5.581 0 1 HKAF COc1ccc([C@H]2N(c3ccc(OC)cc3)C(=O)[C@]2(C)CCCc2ccccc2)cc1 27198518 MMXSVUMZXIYELR-XNMGPUDCSA-N 415.533 5.821 0 1 HKAF Fc1ccc(F)c(CO[C@@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 27548371 PKFHCOCRXHWTGR-RRPNLBNLSA-N 419.515 5.776 0 1 HKAF CC[C@]1(c2ccccc2)c2ncn(Cc3ccccc3)c2NC(=O)N1Cc1ccccc1 27644272 ASMWYCNLQMIXRL-MHZLTWQESA-N 422.532 5.633 0 1 HKAF CN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)c1cc(Cl)cc(Cl)c1 35190776 RFRAUTGUAQHOMG-UHFFFAOYSA-N 422.743 5.769 0 1 HKAF CCCOc1ccc(Oc2ccc(-c3ccc([C@@H](C)NC(=O)[C@@H](C)O)cc3)cc2)cc1 45245484 LONHCXUKBQXAMV-RTBURBONSA-N 419.521 5.493 0 1 HKAF CC(C)CCN(Cc1ccccc1Cl)c1ccc(C(=O)NCc2cccnc2)cc1 72107934 QUEKJOILWYWOKH-UHFFFAOYSA-N 421.972 5.718 0 1 HKAF O[C@H](c1cccc(C(F)(F)F)c1)c1nnc(Nc2ccc(F)c(Cl)c2)s1 82083280 VFXCTDIFSNKDDI-CYBMUJFWSA-N 403.788 5.175 0 1 HKAF CC(C)C1=CC[C@]23[C@@H](O)CC[C@@H](C)[C@]2(C)[C@H](O)C[C@@H](C)[C@H]3[C@H]1c1c[nH]c2ccccc12 85602728 GPFSZBMHJJSJDS-NQVQPJRKSA-N 421.625 6.038 0 1 HKAF Cc1ccc(C[C@@H]2CN(C(=O)Nc3ccccc3)N=C2c2ccc(Cl)c(C)c2)cc1 95578884 MPSGYMNNAPVFRL-OAQYLSRUSA-N 417.940 6.068 0 1 HKAF Cc1c(Cl)cccc1Oc1cccn2c(C34C[C@@H]5C[C@H](CC(O)(C5)C3)C4)nnc12 101426920 LMTDRJINJCULCX-MTPGRUBUSA-N 409.917 5.066 0 1 HKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(Oc2ccccc2-c2ccccc2)nn1 103189646 JIPVFHCDSUBFJC-UHFFFAOYSA-N 406.407 6.930 0 1 HKAF COc1ccc(-c2c(OC)c(OC)c(-c3ccc(OC)cc3)c3scnc23)cc1 103190815 HHZHOMXMQXTDKX-UHFFFAOYSA-N 407.491 5.665 0 1 HKAF CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccccc2Cl)C2=C(O)CCCC2=N1 104700226 QHBKLDWHAMNNFH-NRFANRHFSA-N 410.876 5.926 0 1 HKAF CC(C)C[C@@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118937326 FHSVMYDBGPVTTJ-DLIDOFMKSA-N 420.678 5.410 0 1 HKAF endogenous,in-man CC(C)CN1C/C=C\CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 137310935 MUPFBXXZGZFXEZ-ARJAWSKDSA-N 414.553 5.684 0 1 HKAF C(=C/c1cncnc1-c1ccc(-c2cccs2)s1)\c1ccc(-c2ccccc2)cc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c1cccc(Nc2cccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)c2)c1 216054214 HOHPLBPAUAONIC-UHFFFAOYSA-N 414.896 5.409 0 1 HKAF Fc1cccc(CNc2ccc(F)c(-c3ccnc4[nH]c([C@@H]5CCCNC5)cc34)c2)c1 226062515 WITIUJMWBTVWES-QGZVFWFLSA-N 418.491 5.587 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@@H]4[C@H]3CC[C@@]21C)C(C)C 255270332 TYHDDVWLDIHZHW-ITEJUTCOSA-N 402.707 7.715 0 1 HKAF Cc1cccc([C@@H]2[C@H](O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)C(=O)N2[C@@H](C)c2ccccc2)c1 299838831 WCHJIOSTUBZYQM-IUSASLOISA-N 419.609 6.486 0 1 HKAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c2)cc1 586881532 XUNMJKGBKVJVGV-UHFFFAOYSA-N 416.480 6.331 0 1 HKAF CCCCc1cc(=O)oc2cc(OCc3nc4cc(OC)c(Cl)cc4[nH]3)ccc12 586918111 ISGNJPJNXQXRNS-UHFFFAOYSA-N 412.873 5.253 0 1 HKAF Fc1cc(Br)c2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc2c1 587016311 UYXBBRCYURCDHB-UHFFFAOYSA-N 408.683 5.908 0 1 HKAF N[C@@H](c1ccsc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587025495 NCFDRSHYDQASQI-SFHVURJKSA-N 414.328 5.014 0 1 HKAF COc1cc2[nH]c(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCC4)nc2cn1 587031909 WIKDLLHZBNMDNA-UHFFFAOYSA-N 424.913 5.089 0 1 HKAF FC(F)(F)Oc1cccc2nc(COc3ccccc3C3SCCS3)[nH]c12 587042647 VBFLXAIMFMNZFM-UHFFFAOYSA-N 412.458 5.519 0 1 HKAF COC(=O)c1ccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2c1 587049687 KKCNFOZZAPIVHY-UHFFFAOYSA-N 412.876 6.490 0 1 HKAF Clc1ccc(-c2cccc3ccccc23)cc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 587049926 NNXNRWQRYCQOAO-UHFFFAOYSA-N 424.718 7.405 0 1 HKAF Cc1c(Br)cnc2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc12 587073082 ASKFJLQQXCGUOC-HNNXBMFYSA-N 405.727 5.019 0 1 HKAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)n1 587081186 XACWOEZSTCBZPN-ZETCQYMHSA-N 410.749 6.088 0 1 HKAF Cc1[nH]c(-c2ccco2)nc(=O)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098433 UZVKVGZCMPGEJB-UHFFFAOYSA-N 419.440 5.073 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1c(Nc2ccccc2)n[nH]c1CC3 587105594 AJZODTNDIBRFMP-UHFFFAOYSA-N 414.468 5.679 0 1 HKAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587108902 IMMFYLOWWGUTET-UHFFFAOYSA-N 408.685 5.619 0 1 HKAF Cc1cccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 587113237 ZXMVPSSMIOGLKB-UHFFFAOYSA-N 420.356 7.243 0 1 HKAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587117260 RAHMLLWLDCRNSF-UHFFFAOYSA-N 408.836 5.787 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc2c1 587123015 AQZDEYYPKCJGTF-QPJJXVBHSA-N 412.820 5.785 0 1 HKAF CN(C)CCOc1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587126318 XJYKJYHXMQQNIF-BJMVGYQFSA-N 407.461 5.286 0 1 HKAF CCOC(=O)c1cc(Br)c2[nH]c(/C=C\c3ccc(C)c(F)c3)nc2c1 587146379 JYQQHDASCUGLBM-SREVYHEPSA-N 403.251 5.120 0 1 HKAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cccc(Cl)c4[nH]3)cc2)cc1F 587147974 WIJMFPPWJKYLMF-UHFFFAOYSA-N 407.876 5.363 0 1 HKAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 587160893 HXFFRMWQIPXNDT-VXGBXAGGSA-N 415.184 5.634 0 1 HKAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc(Oc3ccccc3)cc2[nH]1)C1CCCC1 587223446 BMFFRAFNKWWRHL-NRFANRHFSA-N 407.514 6.111 0 1 HKAF COc1ccccc1Nc1ccccc1-c1nc2cc(Br)c(F)cc2[nH]1 587240168 ABLSIKXGSSTQLN-UHFFFAOYSA-N 412.262 5.884 0 1 HKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 587247142 HTQDYLQLNGHDAM-UHFFFAOYSA-N 413.399 5.876 0 1 HKAF CCCC[C@H](C(=O)OCC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349704 QKLGCEOLDMCBHF-ZYKOEDHHSA-N 414.473 5.018 0 1 HKAF CCOC(=O)/C(=C\N(C)C)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587360637 QUYHPFFDDRAXFG-HKWRFOASSA-N 416.477 5.122 0 1 HKAF COc1cccc(-c2cc(/C=C/c3ccc4c(c3)OCO4)nc3c2oc2ccccc23)c1 587365873 OIPVIMAFXDQGEO-PKNBQFBNSA-N 421.452 6.556 0 1 HKAF COc1cccc(-c2cc([C@H]3Cc4ccccc4C(=O)O3)nc3c2oc2ccccc23)c1 587366717 QCNJNXRBYZTKJE-XMMPIXPASA-N 421.452 6.111 0 1 HKAF CCCc1c(-c2ccc(O)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587366807 QTKHGRFMOIYBFE-UHFFFAOYSA-N 409.485 6.982 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(C)(C)[C@H]3c2ccccc2)c1 587367768 UUXGYZVABIPVGB-DEOSSOPVSA-N 405.497 7.080 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1F)(c1sccc1C)[C@@H](C2)C3=O 587425796 HNVPZKDZMUTVMC-KSFYIVLOSA-N 414.885 5.549 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OCc4ccc(F)cc4)cc1)[C@@H](C2)C3=O 587427977 KRBYARKEJLEHQV-SQJMNOBHSA-N 404.437 5.076 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)ccc1Br)CC2=O 587456290 MKQOWSZRXKYDER-IBGZPJMESA-N 409.707 5.641 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1c[nH]c3ccccc13)CC2=O 587467733 QWUCBXIEECCYOC-SANMLTNESA-N 415.464 5.874 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1nccc3ccccc13)CC2=O 587490019 OAGMOHKHQNPIAA-HHHXNRCGSA-N 409.485 5.802 0 1 HKAF O=C1C[C@@]2(CCc3c(Cl)cc(Br)cc32)Oc2c1ccc1c2CCCC1 587498572 OOQAZYQTBQKGFD-OAQYLSRUSA-N 417.730 5.788 0 1 HKAF C[C@@]1(c2cccc(-c3ccc(Cl)cc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587503530 VBSVTUPAZFFIOR-SANMLTNESA-N 402.921 6.766 0 1 HKAF Cc1ccc(C)c(-n2ncc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)c1 587517406 MSPQTXRHJRWFEM-AREMUKBSSA-N 400.522 5.557 0 1 HKAF Cc1cccc(COc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c1 587521975 FPIWZEWOIADHBL-MUUNZHRXSA-N 412.529 6.333 0 1 HKAF COc1cc(C(F)(F)F)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542573 AAICDHWDBBDOMZ-WIYYLYMNSA-N 416.351 5.123 0 1 HKAF Cc1cc(C)cc(OCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 587564357 JKXVNWZLQRACMH-UHFFFAOYSA-N 415.209 5.420 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(F)cc2)s1 587574406 ZORHSDBSGNHVLH-URXFXBBRSA-N 418.445 5.963 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccccc2)nc1 587588205 PMXASWQKHNNZGV-RCZVLFRGSA-N 411.413 5.282 0 1 HKAF CCCCCCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587597730 RSCFKKYOIZFVNB-OZXSUGGESA-N 418.489 6.054 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)ccnc2Cl)N1 587716270 ZDJRIZYZEMLVPY-WJWGPLDTSA-N 423.635 5.279 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(F)cc2)N1 587734492 NTAPJVQLUSCBQC-ODXCJYRJSA-N 403.270 5.142 0 1 HKAF CCn1nc(CC[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587762921 HDXVLZMNPHEMPM-FZKQIMNGSA-N 416.338 5.166 0 1 HKAF Cc1cc(Br)cc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c12 587783136 XTZGJDZROGJBGO-UHFFFAOYSA-N 409.283 5.585 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3cccc4c3c2CC4)N1 587816100 UEJLQUZSZLJDDZ-NPMABZOXSA-N 410.330 5.638 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2C2CCOCC2)N1 587836391 UEGLAOODGSXDFB-ASSNKEHSSA-N 404.323 5.106 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccs3)cc2)N1 587850951 GWBULOOQCWPJAN-MPBGBICISA-N 402.332 5.940 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cscc2Br)N1 587852366 FWYAUUTXZNWANA-JKYUHCHBSA-N 405.130 5.036 0 1 HKAF Cc1ccccc1-c1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587855362 VEAZWXJBMSOMGR-BUXKBTBVSA-N 417.347 5.644 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3sc(C=O)cc3s2)N1 587855932 HJRQGIQFYDKMTJ-WNWIJWBNSA-N 410.333 5.301 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(Cl)cc(Cl)c1 587857450 QEONOZSBPJBDCK-UHFFFAOYSA-N 402.108 6.552 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)NCc1ccc(Cl)cc1 587864529 IVVNEOWMYNHCEL-UHFFFAOYSA-N 423.822 5.379 0 1 HKAF CC1(C)CCC(Cc2nc3cc(Br)c(Br)cc3[nH]2)CC1 587963497 NOBZPNBZXKWLKV-UHFFFAOYSA-N 400.158 5.847 0 1 HKAF CC(C)Nc1nc2cnccc2nc1N1CCC([C@@H](F)c2ccc(F)cc2F)CC1 653679174 IFGWFMXHSOTQFS-HXUWFJFHSA-N 415.463 5.051 0 1 HKAF COCOc1ccccc1[C@]1(c2ccc(Cl)cc2)NCCc2ccc(F)c(C)c21 962375590 OCFCISRFCYBDCK-DEOSSOPVSA-N 411.904 5.208 0 1 HKAF Cc1ccc(CC[C@@]2(C3CC3)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1 962644858 XNGGGCHFKANRQW-MFMCTBQISA-N 422.616 5.980 0 1 HKAF Cn1nc2c3c(cccc31)[C@]1(NCCc3cc(-c4ccccc4)ccc31)c1ccccc1-2 962667760 VJGPWJOQEKLWEK-GDLZYMKVSA-N 413.524 5.658 0 1 HKAF CC(=O)Oc1cc(Cl)c([C@H]2c3ccsc3CCN2Cc2ccco2)c(Cl)c1 962704837 HRVLNCTXJGKJNE-HXUWFJFHSA-N 422.333 5.721 0 1 HKAF FC(F)C(F)(F)Oc1ccc([C@H]2c3ccsc3CCN2Cc2ccco2)cc1 962705064 JKCGOMGJHMRMIW-SFHVURJKSA-N 411.420 5.726 0 1 HKAF CCOC(=O)CCC[C@@]1(c2cccc(OC)c2)N[C@@H](CC)Cc2c1[nH]c1ccccc21 962961353 UNJCPWQEMWEHKY-SIBVEZHUSA-N 420.553 5.078 0 1 HKAF O=C1CCc2cc([C@@]3(c4ccccc4)c4c(F)cccc4C[C@H]4CCCN43)ccc2N1 963098591 GPJFJZDFUYLMDD-AMGIVPHBSA-N 412.508 5.023 0 1 HKAF Cc1cc(F)cc(Nc2cc(NC(=O)Nc3c(Cl)cccc3Cl)ncn2)c1 1857589998 YZDMQRNGIDAMFR-UHFFFAOYSA-N 406.248 5.619 0 1 HKAF CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@@H]1C[C@@H]1c1cccc(F)c1 1857619883 XOBVCWPXOBDWGK-JTHBVZDNSA-N 421.560 5.333 0 1 HKAF CC1(C)CC[C@@H](N2CC(=O)Nc3ccc(Br)cc3[C@@H]2c2ccccc2)C1 1911582326 XMBSHLFSZWIIJJ-UTKZUKDTSA-N 413.359 5.371 0 1 HKAF CCCCNc1c(-c2ccc(OC)c(S[C@@H](C)CC)c2)nc2ccc(Cl)cn12 61959751 SYHAXXSYRPDTNF-HNNXBMFYSA-N 418.006 6.766 0 3 HKAF CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2CCN(CC3CC3)C[C@@H]2C)cc1 13862302 IUJRGVLXTDRYRT-HFZDXXHNSA-N 419.613 5.427 0 1 HKAF O=c1cc(C(F)(F)F)c2cc(N(Cc3cccs3)CC(F)(F)F)ccc2[nH]1 14968464 KQHQCOMIOSNTPU-UHFFFAOYSA-N 406.351 5.177 0 1 HKAF COc1ccc([C@H](c2cccs2)c2ccccc2OCCN2CCCCCC2)cc1 29130841 GIUPKOKZLGXOJH-SANMLTNESA-N 421.606 6.192 0 1 HKAF CC[C@H]1C[C@H]2NC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@@H](C)CCCC(C)C)[C@H]12 36189476 MASOXJRADXYGSF-UTFHESGISA-N 415.706 7.222 0 1 HKAF O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccc(Cl)cc1F 43023650 KUQTXELKVHRKHG-UHFFFAOYSA-N 424.931 5.618 0 1 HKAF C[C@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 43060640 RFAXDYWZHZWHAW-FQEVSTJZSA-N 420.578 5.181 0 1 HKAF O=C(CCc1ccccc1)N1CCc2c([nH]c3ccccc23)[C@@H]1CCc1ccccc1 45353922 YWZIQGQECKGVDO-SANMLTNESA-N 408.545 5.859 0 1 HKAF CCN(CC)C(=S)S[C@H](CC(=O)c1ccc(OC)cc1)c1ccc(Cl)cc1 49803305 DDPAEJVJXFXMJB-HXUWFJFHSA-N 422.015 6.023 0 1 HKAF CC(C)=CC[C@H]1C(=O)[C@H](C(=O)CC(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O 64499816 OLHLJBVALXTBSQ-UNMCSNQZSA-N 414.586 5.610 0 1 HKAF biogenic O=C(O)c1c(CNCc2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1 72113855 IKCPFKSCOVNYEM-UHFFFAOYSA-N 402.881 5.543 0 1 HKAF CCN(CC)CCCc1ccc2c(c1)C(=O)c1cc(CCCN(CC)CC)ccc1-2 73198165 RCRARVRSTZNFFX-UHFFFAOYSA-N 406.614 5.447 0 1 HKAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2ccc(F)cc2)C1 82139585 IZVFZJYZIBWFPO-ROUUACIJSA-N 412.553 5.026 0 1 HKAF Fc1ccccc1CCNc1ncc(-c2nc3ccccc3s2)c(-c2ccco2)n1 82166076 GNNHMFIASDOYAA-UHFFFAOYSA-N 416.481 5.807 0 1 HKAF CC[C@@H](C)Cn1c(-c2cccs2)nc2c(NCCc3ccccc3F)ncnc21 82180866 ZDZZHNCPDIOZFQ-OAHLLOKOSA-N 409.534 5.395 0 1 HKAF c1ccc(-c2cnc(Nc3nc(-c4ccccn4)nnc3-c3ccccc3)s2)cc1 95566952 SVTMGRFIKSFAMB-UHFFFAOYSA-N 408.490 5.468 0 1 HKAF O=C(C[C@@H](c1ccc2ccccc2c1)C(C(=O)O)C(=O)O)c1ccc2ccccc2c1 95575683 FNHKBVSKJNGODI-QFIPXVFZSA-N 412.441 5.135 0 1 HKAF CCC[C@H](C)CCC[C@H](C)C(=O)C[C@@H](O)[C@@H](C)C/C=C/C1=C(C)CCCC1(C)C 100781235 JSSNFOHEHRIBDT-NVFRYTSISA-N 404.679 7.658 0 1 HKAF endogenous,in-man COc1ccc(SN2CCC3(CC2)O[C@H](c2ccccc2)c2ccccc23)cc1 142241796 PJKLYEKOTOIPST-XMMPIXPASA-N 403.547 5.813 0 1 HKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCN(C(=O)CN)C=C21 169319670 FUOPUFUPGVAHIK-ABSDTBQOSA-N 414.590 5.031 0 1 HKAF Cn1c(=O)c2ccc(-c3ccc4ccncc4c3)cc2n2nc(-c3ccccc3)cc12 169350995 DUOKBXVNMNQTRT-UHFFFAOYSA-N 402.457 5.068 0 1 HKAF CC(=O)O[C@H]1/C=C(/C)CC[C@@H]2OC(=N)S[C@@]2(C)CC[C@@H](C(C)C)/C=C\[C@@](C)(O)C1 169364096 DETHKBIMUIMKST-YKOMPGEUSA-N 423.619 5.233 0 1 HKAF CC1=CC[C@@]2(C)[C@@H](COC(=O)CC(C)C)[C@H](O)CC[C@@H]2[C@@]1(C)CCc1ccoc1 238732745 AHRBODSVAZLKGW-YVGXJORLSA-N 402.575 5.551 0 1 HKAF O=C(Nc1cccc(F)c1)Nc1cc2ncncc2cc1OCc1cccc(F)c1 299834980 UJNDLVFJZBHVFO-UHFFFAOYSA-N 406.392 5.131 0 1 HKAF Brc1cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2cc1Br 586884879 JOSGPVZBTSPJQC-SGTLLEGYSA-N 418.132 5.459 0 1 HKAF O=S(=O)(/C=C\c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1ccccc1 586924044 FTCJBECEHKJXND-SEYXRHQNSA-N 417.515 5.284 0 1 HKAF CCCOc1cc2nc([C@@H](C)SCc3ccccc3)[nH]c2cc1Br 586963436 NVQGGDKWBPPQBE-CYBMUJFWSA-N 405.361 6.109 0 1 HKAF O=C(c1cccc(C(F)(F)F)c1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586985264 BQXHKQXHLSROKP-UHFFFAOYSA-N 419.358 5.402 0 1 HKAF Cc1ccc2c3c(cc(-c4c(F)ccc(F)c4C(=O)O)nc13)-c1ccccc1C2=O 586995423 KEJCRMWHHBPXKQ-UHFFFAOYSA-N 401.368 5.398 0 1 HKAF c1ccc(COc2cccc3nc([C@@H]4CS[C@@H](Cc5ccccc5)N4)[nH]c23)cc1 587042038 RPXWLZFAPBZFBU-UNMCSNQZSA-N 401.535 5.088 0 1 HKAF Oc1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 587064175 OCNDJMFRBLOPGC-UHFFFAOYSA-N 403.869 5.623 0 1 HKAF Clc1cccc(COc2ccc(/C=C\c3nc4cnc5ccccc5c4[nH]3)cc2)c1 587070384 IDNIRTFWHBUOJQ-RAXLEYEMSA-N 411.892 6.514 0 1 HKAF CC(C)(C)c1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2n1 587071426 MWTFDYKOYRLORD-NTEUORMPSA-N 417.940 6.658 0 1 HKAF FC(F)(F)c1cc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cc1Cl 587073912 NOZZYXCQXHFKAX-KRWDZBQOSA-N 414.258 6.226 0 1 HKAF COC(=O)Cc1c(-c2ccc(C)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587097180 JEBJWWCKHYQDJJ-UHFFFAOYSA-N 407.469 5.446 0 1 HKAF O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)Nc1ccc2ccccc2c1 587103054 DAMGTPMMHYANIE-UHFFFAOYSA-N 414.464 5.781 0 1 HKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(Br)c(F)c2[nH]1 587114941 ZZEMVMXHXFUALL-VIFPVBQESA-N 401.201 5.830 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(Cc4ccccc4)s3)nc3cccc1c23 587208461 RWUUGEKVPCEOJD-UHFFFAOYSA-N 403.506 6.766 0 1 HKAF CC1(C)[C@H](c2ccccc2)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587352867 JZCYMWRDUHMHGG-POGFHVCPSA-N 402.465 5.843 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C2CCCC2)[C@@H]1c1ccc(F)cc1 587354131 MZYQLHMPNOCGED-AOYPEHQESA-N 402.465 5.976 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2Oc2ccc(Br)cc21 587374083 XBTFZRWTLXUXNE-JOCHJYFZSA-N 422.278 5.354 0 1 HKAF COc1cccc(COc2ccc(Cl)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587376020 BOXKLABABFVICW-HSZRJFAPSA-N 423.896 5.525 0 1 HKAF CC(C)=CCOc1cc(Br)ccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587378671 WUGLZIGIPCGLKI-FQEVSTJZSA-N 416.315 5.391 0 1 HKAF COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Cc4nc(Cl)cc(Cl)c41)[C@@H](C2)C3=O 587423663 YMFPKUMAPAVXNZ-QKVFXAPYSA-N 404.293 5.012 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cc(Cl)ccc3Cl)o1)CC2=O 587463589 YVTKSBQAWMCYED-NRFANRHFSA-N 417.288 6.618 0 1 HKAF O=C1C[C@](c2ccccc2)(c2cc(Cl)ccc2Cl)Oc2c1ccc1c2CCCC1 587506653 NTKGUFDFKCTOKO-VWLOTQADSA-N 423.339 6.781 0 1 HKAF O=C(O)CC[C@]1(c2ccc(F)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587509224 XTUMEAXBJSEUGD-JOCHJYFZSA-N 402.849 5.083 0 1 HKAF CC1(C)Cc2nc(Cl)ccc2[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587551578 HFKHSVZZWNIUAP-HYBUGGRVSA-N 421.880 5.270 0 1 HKAF C[C@@]1(c2ccc3cccc4c3c2CC4)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603437 ONMDJJDADAZPOH-IGKIAQTJSA-N 408.453 5.521 0 1 HKAF C[C@]1(CSc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607384 MESKXKFDBKFRNJ-SIKLNZKXSA-N 412.894 5.558 0 1 HKAF CC(C)(C)[C@]1(c2cc3ccccc3o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587617033 OEIJQPUCIXBSFN-ATIYNZHBSA-N 414.457 6.042 0 1 HKAF COc1c(C)cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587692522 LAPMVMXXTHXYPA-JEOXALJRSA-N 412.730 5.356 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccccc3Cl)CC2)N1 587694762 HVMLSCGJQKBWBZ-ZDUSSCGKSA-N 423.757 5.272 0 1 HKAF Cc1ccc(OC(F)F)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587722468 YXKAMQIKYUCCLX-WLRWDXFRSA-N 414.265 5.296 0 1 HKAF Cc1c(F)cccc1-c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587723100 VFTBKCMGIXIPCB-FIKIJFGZSA-N 418.281 5.919 0 1 HKAF CSc1ccc([C@@]2(C(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587844282 LFTGJOUUWRDYRX-RNODOKPDSA-N 408.380 5.744 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2-c2ccsc2)N1 587854211 QMRSLNFMSWRUQY-WLRWDXFRSA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)C(C)(C)Oc1ccc(Cl)cc1 587870792 IXRFFTBWIOZRHB-UHFFFAOYSA-N 402.853 5.239 0 1 HKAF Cc1cc2c(cc1F)[C@H](c1c(C(F)(F)F)nn(-c3ccccc3)c1Cl)NCC2 962148110 QZZKNNUCTJMDQN-QGZVFWFLSA-N 409.814 5.227 0 1 HKAF CC(C)n1c([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)nc2ccccc21 962630783 KQPAJTZKLVDYSP-YIXXDRMTSA-N 422.576 5.454 0 1 HKAF COc1ccc2c(c1OC)[C@]1(C(C)=COc3c(Cl)cc(Cl)cc31)N(C)[C@H](C)C2 962631072 IZQOGIGTEHEGEL-MCMMXHMISA-N 420.336 5.427 0 1 HKAF COc1cccc([C@]2(c3cccc(C)n3)NCCc3cc(-c4ccccc4)ccc32)c1 962661695 KEECUAFDISNMCF-NDEPHWFRSA-N 406.529 5.503 0 1 HKAF CCc1ccc([C@@]2(Cc3ccccc3)c3cccc(Br)c3CCN2C)cc1 963289912 RPORPBDDJNQDFD-VWLOTQADSA-N 420.394 5.986 0 1 HKAF COc1cc2c(c3c1C(=O)C[C@H](c1ccccc1)O3)C=C[C@@](C)(CCC=C(C)C)O2 1857540293 QDMIUSBLODILIC-QFQXNSOFSA-N 404.506 6.312 0 1 HKAF O=NC=C1C=CN(CCCCCCCN=c2c3c([nH]c4ccccc24)CCCC3)C=C1 1857544118 PBNLXJRXGREOLU-UHFFFAOYSA-N 416.569 5.891 0 1 HKAF CCOc1cc(C)c(-c2cccc(CNc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 1857608847 RJOSBMNJSVPJMQ-UHFFFAOYSA-N 423.484 5.584 0 1 HKAF COc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)c2cccc(Cl)c2)cc1 1911576031 CVEQMRZWPLRZBH-HXUWFJFHSA-N 413.926 5.229 0 1 HKAF CCCCCC=CCC=CCCCCCCCCCCCc1cc(O)cc(O)c1 2356306463 CFGQZPIKGWYREM-UHFFFAOYSA-N 400.647 8.624 0 1 HKAF CC[C@H](C)C=CC=CCc1ccc(C(C)(C)c2ccc(CC=CC=C[C@H](C)CC)[nH]2)[n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c1ccc(-c2ccc(-c3nnn[nH]3)cc2Cl)cc1C12CC3CC(CC(C3)C1)C2 28648318 PDARTFMCIDMTES-UHFFFAOYSA-N 406.917 5.361 0 1 HKAF O=C(c1c(Cl)cccc1Cl)N1CCc2c(cnn2-c2ccccc2Cl)C1 28708539 KCUJEPGRPQNWMP-UHFFFAOYSA-N 406.700 5.031 0 1 HKAF CC/C(=C(\c1ccccc1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1 28761893 TZZSBHQJRVXWFX-DQSJHHFOSA-N 413.561 5.767 0 1 HKAF O=c1[nH]c(C2=C[C@H](N3CCC(c4ccc(F)cc4)CC3)CC2)nc2c(Cl)cccc12 28954760 QQGFRGBWSWSPDS-LJQANCHMSA-N 423.919 5.141 0 1 HKAF CC(=O)O[C@H]1[C@H](OC(C)=O)/C(C(C)C)=C/C=C(\C)CC/C=C(\C)CC[C@@H]2O[C@]21C 39032988 SLZFGKPBZNIZNQ-ANMLBVGFSA-N 404.547 5.056 0 1 HKAF C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 40393654 QCINLPGAWNIEIM-AUUYWEPGSA-N 420.340 5.209 0 1 HKAF COc1cc(OC)c(OC)cc1CCCCCCCCCCCCCCCCO 40763972 OBMIJPPLUWDYKX-UHFFFAOYSA-N 408.623 6.709 0 1 HKAF COc1ccc(C(=O)[C@H]2c3ccccc3-c3ccccc3N2C(=O)c2ccco2)cc1 40976340 XGMHQEAZEDFHHU-XMMPIXPASA-N 409.441 5.540 0 1 HKAF Cc1cccc2nc(-c3ccc(-c4cccc(NC(=O)CCc5c[nH]cn5)c4)cc3)[nH]c12 45302766 YKKLHTMCZXMTBH-UHFFFAOYSA-N 421.504 5.500 0 1 HKAF CN(CC1=CC(C)(C)NC1(C)C)c1ccc2c(c1)Cc1cc(Br)ccc1-2 71296950 RNVXLCANIQYYNF-UHFFFAOYSA-N 411.387 5.543 0 1 HKAF C[C@@]12CCC[C@@](C)(C(=O)OCc3ccccc3)[C@H]1CC[C@@]1(CC(=O)O)CCCC[C@@H]21 71317450 SGBKJLFEEUNAKD-BMWDSNFISA-N 412.570 5.988 0 1 HKAF c1csc(CNc2nc(CN3CCC[C@@H]3c3nccs3)nc3ccccc23)c1 71937216 VONUCBQVVICNET-GOSISDBHSA-N 407.568 5.097 0 1 HKAF Cc1cccnc1N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1 82155617 GEUQNQVVZFSAOS-UHFFFAOYSA-N 411.839 5.501 0 1 HKAF COc1c(CC=C(C)C)c(O)cc2c1[C@@H]1Oc3cc4c(cc3[C@H]1CO2)C=CC(C)(C)O4 85956000 SVHCNENPWOPFOI-IQGLISFBSA-N 420.505 5.703 0 1 HKAF endogenous,in-man O=C(/C=C/c1ccc(Cl)cc1)NCCCCNc1ccnc2cc(Cl)ccc12 95593543 HFMPMFPVDYIAFR-BJMVGYQFSA-N 414.336 5.563 0 1 HKAF CCCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc(C)s1 100703672 KCMQPVBVTIQUDN-MRXNPFEDSA-N 415.584 5.904 0 1 HKAF c1ccc(COc2ccc(Cn3ccc(-c4ccc(-n5ccnc5)cc4)n3)cc2)cc1 101732295 QZUHESANOODKMC-UHFFFAOYSA-N 406.489 5.363 0 1 HKAF Cc1cccc(-c2cnc3[nH]c(-c4cc(NC(=O)N5CCCC5)ccc4F)nc3c2)c1 103271522 NLGJPYUMBJCAOM-UHFFFAOYSA-N 415.472 5.367 0 1 HKAF CCC(C)(C)NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 145583987 AGIRGXWEIKUSMN-NRFANRHFSA-N 408.567 6.280 0 1 HKAF COc1cc(-c2ncn(C)c2-c2ccc3c(c2)c(Cl)cn3C)cc(Cl)c1OC 168603222 MJHVJPLOUFVGKT-UHFFFAOYSA-N 416.308 5.570 0 1 HKAF Fc1ccc([C@@H]2C[C@@H]3CC[C@@H]([C@H]2c2ccc(F)cc2)N3CCCc2ccccc2)cc1 169716230 HMCBNLGRMGUNCH-LJWNLINESA-N 417.543 6.702 0 1 HKAF Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(Cl)cc3Cl)c2F)cn1 212116457 KSPLGLMNBHRTMU-UHFFFAOYSA-N 418.299 6.018 0 1 HKAF Cc1cc(C)c(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cc[nH]c(=O)c2)cc1C 221343585 FJHVYUIRHLGCLB-UHFFFAOYSA-N 416.399 5.364 0 1 HKAF NCCOc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccc(O)cc2)cc1 299858319 GIFUFGZIZISZHX-UHFFFAOYSA-N 407.513 5.737 0 1 HKAF Oc1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccccc2F)n1 473153301 AANQNKYNTXPTKE-UHFFFAOYSA-N 422.459 6.388 0 1 HKAF CC1(C)c2nc3ccc(O)c4c3c(c2CCN1Cc1ccccc1)-c1ccccc1C4=O 586987559 CPCXBPVIBIOSDS-UHFFFAOYSA-N 420.512 5.445 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(F)cc(Br)c3)nc3ccc(O)c1c23 586988566 MDKYOHVMAHWJMA-UHFFFAOYSA-N 420.237 5.720 0 1 HKAF Cc1ccc(-c2nc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c(C)s2)cc1 587012947 PANOQWLJXPAMGP-UHFFFAOYSA-N 413.571 7.121 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(-c4csc([C@@H]5CCCO5)n4)[nH]c3c2)cc1 587017796 ZONYYPNIXZOENU-IBGZPJMESA-N 421.478 5.117 0 1 HKAF CSc1ccc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 587031034 NSTJLYUBAQZYTE-UXYFDLPDSA-N 416.597 5.412 0 1 HKAF FC(F)(F)Oc1cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2cc1Cl 587049416 IQAHBYNHZMYFNN-UHFFFAOYSA-N 412.198 6.226 0 1 HKAF FC(F)(F)c1cc2nc(CNc3ccccc3Cl)[nH]c2cc1Br 587061378 FUUURAIEXGZKRS-UHFFFAOYSA-N 404.617 5.610 0 1 HKAF Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cnccc3[nH]2)cc1 587077626 UYUYYCWZVDGZSN-SSZFMOIBSA-N 408.892 6.313 0 1 HKAF C[C@@H](c1nc2cc(Cl)cc(Br)c2[nH]1)c1ccccc1C(F)(F)F 587098025 OTXPPVXANCHORL-MRVPVSSYSA-N 403.629 6.149 0 1 HKAF Cc1c(Cc2cnc3cccc4c3c2-c2ccccc2C4=O)cccc1C(F)(F)F 587103075 APBFHEGBMTXIDX-UHFFFAOYSA-N 403.403 6.364 0 1 HKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(Cl)c(Br)cnc2[nH]1 587113913 ORYLJXOJIBWRTH-MRVPVSSYSA-N 418.644 5.739 0 1 HKAF FC(F)(F)Sc1ccc(/C=C\c2nc3ccc(Br)nc3[nH]2)cc1 587126202 VZPQFZAYCWYAEU-BAQGIRSFSA-N 400.223 5.503 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(Br)cc3[nH]2)cc1F 587151919 VPNYMMKNMOSSPZ-LJQANCHMSA-N 415.237 5.772 0 1 HKAF C[C@]1(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)C=C(c2ccccc2F)NO1 587154328 DIBNIPSPIMBEBG-QGZVFWFLSA-N 413.758 5.045 0 1 HKAF Cc1cnc(Cl)c2[nH]c([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc12 587157704 BITWBJIIDLCWOH-SFHVURJKSA-N 402.256 5.881 0 1 HKAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587164555 WFBAYXYAXZOPEX-OAHLLOKOSA-N 416.216 5.134 0 1 HKAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587232717 ATPHJMRMOZQTHK-ONGXEEELSA-N 419.831 5.276 0 1 HKAF C[C@@]1(c2ccc(-n3cccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343793 VIMFNAALOZUXTD-RSXGOPAZSA-N 413.448 5.596 0 1 HKAF C[C@]1(CCOCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347004 KLUGYHRSGHIFIG-UKILVPOCSA-N 406.453 5.256 0 1 HKAF COc1cccc(-c2cc(-c3cccc(F)c3Cl)nc3c2oc2ccccc23)c1 587358528 CWQZXVNXYMJHNC-UHFFFAOYSA-N 403.840 7.116 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-c3ccc(Cl)c(Cl)c3)cc1)O2 587375389 MCHJGMPMQQNYQT-HSZRJFAPSA-N 412.316 6.432 0 1 HKAF COc1cc2c3c(c1)O[C@](CCSc1ccccn1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587426212 ASLLPJSHNIKCGR-YADARESESA-N 421.493 5.055 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cn(Cc4cccc(F)c4)c4ccccc14)[C@@H](C2)C3=O 587429088 SGGQQSRLCOGMDA-RXFWQSSRSA-N 413.448 5.326 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-c3ccc(C)c(Cl)c3)c1)CC2=O 587459649 CLJDCVWMBQNBNR-AREMUKBSSA-N 420.936 6.854 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1OC(=O)c1ccccc1)CC2=O 587477677 IFFHCVIVUWTSSD-SANMLTNESA-N 416.473 5.445 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2ccccc2)c1 587591856 HYNAIXVFKYZVRP-SHQCIBLASA-N 424.452 5.674 0 1 HKAF C[C@@]1(CSc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607383 MESKXKFDBKFRNJ-KNQAVFIVSA-N 412.894 5.558 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1sc3ccccc3c12 587619697 UKFTURCAFQWZJJ-QPPBQGQZSA-N 400.455 5.410 0 1 HKAF CCCCO/C=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587707346 UICZYBBDJIOHOF-RUAGAOLHSA-N 410.249 5.210 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2C(F)(F)F)N1 587711285 JOBBZZGMEUAEQA-ZKANADHPSA-N 406.192 5.370 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2C(=O)OC(C)(C)C)N1 587793848 NUMPVYGBZNRYEC-CWTRNNRKSA-N 420.322 5.167 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C2(O)CCCCC2)N1 587821269 GYDUQKVZDNSPEK-NYHFZMIOSA-N 418.350 5.061 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2SC(C)(C)C)N1 587838118 BGVHZNLUVJMPFU-YEJXKQKISA-N 422.407 6.277 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/[C@@H]2C(C)(C)CC[C@H]3O[C@@]32C)N1 587838798 PKAIHBMQSVWXHX-UEIDDHKYSA-N 422.382 5.488 0 1 HKAF Cc1ccc(SC(C)(C)[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587842385 UXADDMUGUUCNLH-YJYMSZOUSA-N 408.380 6.043 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCSc3c(Cl)cccc32)N1 587857100 KCAOSRJYUWIXNZ-XTZNXHDOSA-N 412.755 5.515 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(-c2ccccc2F)nn1 587861261 PPHMOVQVKVZXSK-UHFFFAOYSA-N 414.362 5.163 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)N[C@@H]1CCCC[C@@H]1C 587861501 RTKCFPSAKFJMOM-BLLLJJGKSA-N 412.386 5.557 0 1 HKAF CCc1ccccc1NC(=S)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587863758 HBYYQYCHSMSNCP-UHFFFAOYSA-N 405.445 5.385 0 1 HKAF FC(F)(F)c1cc2nc(/C=C/c3cccc4ccccc34)[nH]c2cc1Br 587969436 STCPEJDIOJESOP-CMDGGOBGSA-N 417.228 6.668 0 1 HKAF CCN(c1ccccc1)c1ccc([C@@H]2c3cc(OC)ccc3CCN2C(C)C)cc1 962086892 DQIHNQMJEPALTJ-HHHXNRCGSA-N 400.566 6.209 0 1 HKAF Cc1cccc([C@@]2(c3ccc(CN4CCC4)cc3)NCCc3ccc(F)c(C)c32)c1 962091293 JVVSCUUVZWNFSD-HHHXNRCGSA-N 400.541 5.086 0 1 HKAF C[C@H](c1cccc(Br)c1)[C@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962706709 OCIGYZKDVHFFMR-FNXXIHLHSA-N 420.391 5.797 0 1 HKAF Cc1cc2[nH]c([C@H](O)CCc3ccccc3)c(CCc3ccccc3)c2cc1C(=O)O 1772619176 GBQBVRJDQQRBFF-RUZDIDTESA-N 413.517 5.626 0 1 HKAF COc1cc(O)c(-c2c(C)cc(O)c3c(OC)cccc23)c2c1[C@@H](C)N(C)[C@H](C)C2 2356516045 JYDUXYXOEDHAMY-HUUCEWRRSA-N 407.510 5.181 0 1 HKAF CC1=C[C@H](CNCc2ccccc2)[C@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 2356761300 VSXOCJFQZLURFB-VXNXHJTFSA-N 401.598 6.058 0 1 HKAF CCC=CCC=CCC=CCC=CCC=CCCCCCCCOC[C@H](O)CO 2356800828 QHYUMWJDGQDOBJ-AREMUKBSSA-N 404.635 6.448 0 1 HKAF O[C@@H](Cc1cccc(Br)c1)c1nc(-c2ccccc2C(F)(F)F)c[nH]1 61904033 YHYIQMIRZUEVFO-INIZCTEOSA-N 411.221 5.134 0 3 HKAF O=[S@](Cc1cc(Oc2cccc(C(F)(F)F)c2)ccn1)c1nc2cscc2[nH]1 3796084 NLOWTJMSDDKCIC-NDEPHWFRSA-N 423.441 5.138 0 1 HKAF CCCN(CCOC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12 13553427 IDMWYSAMRPSJBP-UHFFFAOYSA-N 407.345 5.113 0 1 HKAF CCC(CC)c1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1 13794422 JVWGTJAWLAVUDV-UHFFFAOYSA-N 404.396 6.733 0 1 HKAF COc1cc(O)c([C@H]2CC(=O)c3ccc(O)c(CC=C(C)C)c3O2)cc1CC=C(C)C 14780753 BDNVEGLVZLTFLX-RUZDIDTESA-N 422.521 5.830 0 1 HKAF biogenic CSc1ccc(-c2c[nH]cc2[C@H](c2ccc(Cl)cc2Cl)n2ccnc2)cc1 26643205 FXVBCYIZDNNSCJ-NRFANRHFSA-N 414.361 6.545 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4C=C(C(=O)O)CC[C@@H]4[C@@H]3CC[C@]12C)C(C)C 28021299 MPQGKRPBJJRBJF-BCOGVMHFSA-N 413.602 5.442 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(OC)cc1 28565605 RAAXJIUKGYWMQD-ZKWNWVNESA-N 409.614 7.779 0 1 HKAF COc1cc(CN(C2CCCC2)[C@@H]2CCC(=O)c3ccccc32)cc(OC)c1OC 40395453 QXVHPVTWFCVLLV-OAQYLSRUSA-N 409.526 5.175 0 1 HKAF C[C@H]1CN(Cc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)cc2)C[C@@H](C)O1 45230548 QQRFBSODQBDHOJ-HDICACEKSA-N 415.512 5.645 0 1 HKAF CC(=O)N[C@@H](C)c1ccc(-c2ccc(Oc3ccc(OC(C)C)cc3)cc2)c(C)c1 45245140 WKXMYIRBKKGIKP-IBGZPJMESA-N 403.522 6.439 0 1 HKAF Cc1cc(N[C@@H](CC(C)C)C(=O)Nc2ccccc2)nc(NCc2ccccc2C)n1 45301836 QQEPJNTURMPNSO-QFIPXVFZSA-N 417.557 5.171 0 1 HKAF Cc1ccc2c(c1)c(=O)n(Cc1ccccc1)c(=S)n2[C@@H](O)/C=C/c1ccccc1 49072821 FJEPFGCCGHQIFP-JLQMKUNGSA-N 414.530 5.094 0 1 HKAF COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(-c4ccccc4)cc3)C[C@H]1C=N2 49808406 RDJYGMNOQHARER-NRFANRHFSA-N 410.473 5.342 0 1 HKAF COc1cc2ncnc(N(c3ccc(C)c(Br)c3)C(C)C)c2cc1OC 64447321 YPQRDMUBRRWIBK-UHFFFAOYSA-N 416.319 5.264 0 1 HKAF Cc1cccc(-c2ccc3c(c2)[C@H](N2CCN(C)CC2)Cc2ccccc2S3)c1C 64548653 ALJFHHUCGXIRIJ-RUZDIDTESA-N 414.618 5.966 0 1 HKAF CN(C)CC1=Cc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1 72114813 QSERVTYJHOTWQD-UHFFFAOYSA-N 416.952 6.151 0 1 HKAF CCn1c2ccccc2c2cc(CCN3CCC4(C=Cc5ccccc54)CC3)ccc21 73224023 SBLQTPNTLJBYDJ-UHFFFAOYSA-N 406.573 6.418 0 1 HKAF CCCc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1C[C@@H](C)CC 82189887 LXFAUYPFRDOIMV-AWEZNQCLSA-N 420.388 5.786 0 1 HKAF CC[C@](C)(C/C=C1/C[C@](CO)(COC(=O)C[C@@](C)(CC)C(C)C)OC1=O)C(C)C 87723372 CPXHOALOZNWMML-PJSYDMEPSA-N 410.595 5.059 0 1 HKAF O=C(Nc1cccc(Nc2ccc3c(c2)CCc2ccccc2C3=O)c1)c1ccco1 95571668 OIJCVQRTJNSKGO-UHFFFAOYSA-N 408.457 5.605 0 1 HKAF c1ccc(C(CCCCCNC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 103229518 WKUPXIUEYABNJD-UHFFFAOYSA-N 419.612 7.758 0 1 HKAF CCCCC[C@@H](O)c1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OC)cc1 142677353 KUFDEMAAVZOJIN-DNVJHFABSA-N 402.575 5.877 0 1 HKAF CCCCCCN1C[C@H](O)[C@@H](n2cc(-c3ccc(F)cc3)nn2)C[C@H]1c1ccccc1 198497326 GMPZFDPIEMHNIC-SDHOMARFSA-N 422.548 5.014 0 1 HKAF CCc1ccc([C@H]2Nc3cc(Cl)ccc3C(=O)N2Cc2ccc(F)cc2)s1 206876520 QVXIKPMCEWWSJI-FQEVSTJZSA-N 400.906 5.870 0 1 HKAF CC(C)[C@@H]1CCN=C1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](N)CC[C@]4(C)[C@@H]3CC[C@@]21C 255260150 PXFBSSNHKUNZKA-UFZHPAGLSA-N 424.717 7.036 0 1 HKAF O=S(=O)(Cc1ccccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1 586921637 KAJMAMBLTTVHSH-UHFFFAOYSA-N 416.424 5.223 0 1 HKAF Cc1ccc(-n2ccnc2SCc2nc3cc(C(F)(F)F)ncc3[nH]2)c(C)c1 586966207 JMOIWWPUBLJLON-UHFFFAOYSA-N 403.433 5.072 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5cccc(C)c5[nH]4)c23)cc1 587040126 WPDSVTLGOOAXEQ-UHFFFAOYSA-N 402.548 6.144 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Cl)ncc2[nH]1)c1cccc(Cl)c1 587072593 YXDANBBRHVBRAS-CYBMUJFWSA-N 407.301 5.073 0 1 HKAF FC(F)(F)c1cc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cc1Cl 587073914 NOZZYXCQXHFKAX-QGZVFWFLSA-N 414.258 6.226 0 1 HKAF COc1cccc(-n2cc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cn2)c1 587097981 RDVSBFHBFVEQLZ-UHFFFAOYSA-N 417.468 5.616 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c(F)c2)c(F)c1 587149926 WLEHCPSZRWBMNA-UHFFFAOYSA-N 406.219 5.886 0 1 HKAF O=C(O)Cc1c(-c2ccc(Cl)s2)nc2cccc3c2c1-c1ccccc1C3=O 587208332 QCNWZLGVDVXUQJ-UHFFFAOYSA-N 405.862 5.455 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCc3c(Cl)cccc32)[C@@H]1c1ccc(F)cc1 587337077 ZPBORYSNMZMVAO-VWNXMTODSA-N 408.856 5.775 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2nccs2)[C@H]1c1ccc(F)cc1 587377457 RNPHXWQPSXGEIQ-URXFXBBRSA-N 417.461 5.291 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]31C)O2 587405165 UWRQKSQOEQGLQD-NPAWXDPGSA-N 417.549 5.543 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1sccc1Br)(C1CCCCC1)O2 587410467 NFPNSFXBCWSIFQ-HXUWFJFHSA-N 420.372 5.842 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)ccc1Oc1ccc(F)cc1)CC2=O 587466704 MHJPWCJSVCCDBI-HSZRJFAPSA-N 410.416 6.122 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccnn3C(C)C)c1C)CC2=O 587475209 KMSSJTFFYJVKTP-JOCHJYFZSA-N 407.514 5.236 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1-c1ccc(OC)cc1)CC2=O 587475675 BVWHODAOOYRORX-AREMUKBSSA-N 402.490 5.901 0 1 HKAF CC(C)Oc1ccc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587495473 CKDVAQQTCJFZKB-NRFANRHFSA-N 415.327 5.822 0 1 HKAF CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCC(C)C 587521608 IOMRNRNWAIDHEN-XMMPIXPASA-N 408.538 6.096 0 1 HKAF CSc1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(O)c2)cc1 587530241 BNWVKQKKXVKJMB-RUZDIDTESA-N 416.542 6.366 0 1 HKAF C[C@@]1(c2ccccc2-c2cccc(C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587530944 XAWLEIBCHJAQOQ-MHZLTWQESA-N 412.485 5.811 0 1 HKAF COc1c(Cl)cc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543564 KYNXSFBTLRADSL-DYESRHJHSA-N 417.244 5.411 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(SC(F)F)cc1 587553171 FAMLRPBTOSJFSB-YLJYHZDGSA-N 400.402 5.410 0 1 HKAF Cc1cc(OC(F)(F)F)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587557227 QTYQBKUQSDLCIR-NQIIRXRSSA-N 416.351 5.302 0 1 HKAF Cc1cccc(-n2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1C 587574473 BDGYBSSVHWMPHC-BVAGGSTKSA-N 411.457 5.503 0 1 HKAF Cc1ccc([C@]2(c3ccccn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587585476 DIMFCUAHBDNCQY-JYFHCDHNSA-N 409.441 5.001 0 1 HKAF CCCOc1c(C)cc(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593108 CESOBFFVVACQAA-BWKNWUBXSA-N 404.462 5.501 0 1 HKAF CCOc1ccc(OCC)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587594718 HZLKYDRLPQGZMQ-WIOPSUGQSA-N 420.461 5.067 0 1 HKAF CC(C)=CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587597807 RYIYYBZDVRKYNF-DHLKQENFSA-N 402.446 5.440 0 1 HKAF COc1ccc2cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2c1 587599852 IFVBQJVAAODAPS-JYFHCDHNSA-N 412.441 5.431 0 1 HKAF CCCOc1ccccc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N 587625218 CAAHOVZQSMSNSQ-UHFFFAOYSA-N 402.338 6.244 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc(Cl)cc3)CC2)N1 587694947 HTMSLXALHNQVLE-ZDUSSCGKSA-N 423.757 5.272 0 1 HKAF CC1=C[C@@H]2C=C([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)C(Cl)=N[C@@H]2C=C1 587707181 UMYHBEODDVKREY-RVPGYVHMSA-N 421.741 5.242 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(OC(F)(F)F)c2)N1 587718522 IKHJFNSTQNVITE-PWJLMRLQSA-N 422.191 5.250 0 1 HKAF CCOc1cccc2[nH]cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 587801057 CXJPCNSMFRMLGS-PRWKNARSSA-N 403.295 5.092 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc(Cl)s2)N1 587848622 OSLSQAHHAUQAIW-BMLIUANNSA-N 402.760 5.685 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccsc3)nc2)N1 587854614 REQDEPMSYYMUTN-NSPYISDASA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccc(OC)cc2s1 587866862 LHQUDCUDTGYQEQ-UHFFFAOYSA-N 419.428 5.575 0 1 HKAF COC(=O)c1cccc2nc(-c3cccc(-c4ccc(OC)cc4OC)c3C)[nH]c12 587928912 HWOZUBAIQQCHKB-UHFFFAOYSA-N 402.450 5.009 0 1 HKAF CC(C)c1cc(OC(C)(C)C)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O 587944302 CPXYSOBFNAATGL-UHFFFAOYSA-N 401.453 6.554 0 1 HKAF O=C1Nc2cc(Cl)ccc2/C1=C/c1ccc2nc(-c3cc(F)cc(F)c3)[nH]c2c1 653893451 OVJJNMFFZUQBAI-ZWSORDCHSA-N 407.807 5.654 0 1 HKAF Fc1cc(F)c([C@H]2NCCc3cccc(-c4ccccc4)c32)cc1Br 962670048 PUGMSCBVNKTMDY-OAQYLSRUSA-N 400.266 5.629 0 1 HKAF Fc1cc([C@@]2(C3CCC3)c3ccsc3CCN2Cc2cccnc2)ccc1Cl 962995950 NRNREUQZLFSWJN-QHCPKHFHSA-N 412.961 6.038 0 1 HKAF COc1ccc([C@]2(Cc3ccc(F)cc3)NCCc3c(Cl)cc(Cl)cc32)cc1 963115732 APJSZIVLWUCCCZ-QHCPKHFHSA-N 416.323 5.773 0 1 HKAF Clc1cccc(N2N=C(c3ccccc3)C[C@H]2c2cccc(Cl)c2Cl)c1 1772597279 ABTDFCQTKRVCDM-FQEVSTJZSA-N 401.724 7.003 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4OC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1ccc(F)cc1 1772612126 OIFHPPKOWYQGIJ-QKONGSNMSA-N 413.533 5.329 0 1 HKAF FCC[C@H]1Cc2ccccc2C2(CCC(N3CCN(C4CCCCC4)CC3)CC2)O1 1857744310 BXYLBPZPCRRRIX-QWJQGLKASA-N 414.609 5.076 0 1 HKAF O=C(O)CCC=CC[C@H](CCCCCC[C@H]1C=C(CO)CC1)Cc1ccc(O)cc1 2356633206 QAMRKKHMHVUAKC-FCHUYYIVSA-N 414.586 6.031 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3=CC[C@@]12C)C(C)C 2356642758 SLDFVIVETHDYGI-WEWCFULISA-N 410.686 7.721 0 1 HKAF Oc1cc(NCCCN[C@H]2CCNc3c(Cl)cc(Cl)cc32)nc2ccccc12 13487801 FCPSJCDPYVIQGC-KRWDZBQOSA-N 417.340 5.196 0 1 HKAF CCCO[C@H](Cc1ccc2oc(Cc3nc(-c4ccccc4)oc3C)cc2c1)C(=O)O 27308248 BIUHGCIUMXIJEI-HSZRJFAPSA-N 419.477 5.409 0 1 HKAF CCc1cccc(N(C)C(=N)Nc2cc(SC)cc(SC)c2Br)c1 27428822 RZPNAWROHLKBCH-UHFFFAOYSA-N 424.433 5.938 0 1 HKAF O=C1N(CC2CCCCC2)c2ccccc2C12CCN(CC1CCCCCCC1)CC2 28527307 SNJBDIZPYDZGGH-UHFFFAOYSA-N 422.657 6.308 0 1 HKAF CCCCCC[C@@]1(C)C[C@@H](NC(=O)CN(CC)CC)c2c(C)c(O)c(C)c(C)c2O1 34296959 FAGPYXZHCVGSPV-NLFFAJNJSA-N 418.622 5.328 0 1 HKAF Cn1c(-c2ccc(OC(F)(F)F)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1 36401412 ORACBUKRQCFDKX-UHFFFAOYSA-N 407.823 5.504 0 1 HKAF O=C(O)C[C@H](Cc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccccc1 40506126 SMHFDENBRYKOCE-IBGZPJMESA-N 404.897 5.539 0 1 HKAF O=C(O)c1cc(-c2ccccc2-c2ccccc2OCc2ccccc2)ccc1Cl 40846671 RYAPFEBRKWXCAS-UHFFFAOYSA-N 414.888 6.951 0 1 HKAF O=C(c1ccccc1)c1sc(NCCc2ccc3c(c2)OCO3)nc1-c1ccco1 40847581 ORZFUSWWXUVGND-UHFFFAOYSA-N 418.474 5.017 0 1 HKAF Cc1c(C(=O)NC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C 66259437 VRVLDRRTPIDVKF-UHFFFAOYSA-N 405.329 5.033 0 1 HKAF CCOC(=O)C(C)(C)[C@@H](c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1 72118122 GJYCFJGZPVJOKR-XMMPIXPASA-N 413.521 5.959 0 1 HKAF in-vitro c1ccc2c(CNc3cc(Oc4ccc5oc6ccccc6c5c4)ncn3)cccc2c1 82067806 YNGLUYSBHMREFM-UHFFFAOYSA-N 417.468 6.934 0 1 HKAF Cc1cccc(-c2nc(NC[C@@H]3CCCO3)ncc2-c2nc3ccccc3s2)c1 82173192 BEWKXIOPGXOVFW-KRWDZBQOSA-N 402.523 5.320 0 1 HKAF Cc1c(-c2nnc(-c3ccccc3)o2)sc2ncnc(Nc3ccc(F)cc3)c12 95575976 NNOVETTZGPPVQU-UHFFFAOYSA-N 403.442 5.599 0 1 HKAF CC(C)(C)OC(=O)n1cc(CNC(=S)Nc2ccc(Cl)cc2)c2ccccc21 96938446 OAEWGNPHLVECCD-UHFFFAOYSA-N 415.946 5.565 0 1 HKAF CC(=O)CCCCCCCCCC[C@@H]1CC[C@@H](OC(=O)c2ccccc2)[C@@H](C)N1 138704094 PBWFBFJNCUAIQQ-GMKZXUHWSA-N 401.591 5.843 0 1 HKAF Cc1cc2cc(C[C@@](O)(CC(C)(C)c3cc(F)ccc3C)C(F)(F)F)[nH]c2cn1 169007783 AFQIBZSGVWHLSI-OAQYLSRUSA-N 408.439 5.523 0 1 HKAF Cc1ccc(C(=O)NC2(C)CCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 169700055 GUZPHYLYVCKKNK-UHFFFAOYSA-N 413.521 5.231 0 1 HKAF N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4CCCCC4)n3)c(Cl)cn2)CC1 169703628 UTEWJTHBWDYHHQ-HDICACEKSA-N 413.997 5.471 0 1 HKAF N#CN1[C@H](c2ccc(Cl)cc2)[C@H](c2ccccc2)C(=O)C[C@@H]1c1ccc(Cl)cc1 195090055 GTFNZNFOQZIXSK-GMKZXUHWSA-N 421.327 6.315 0 1 HKAF Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccnc(-c4ccccc4)n3)c2F)cn1 212154069 BTOUGZKPQYKQDV-UHFFFAOYSA-N 413.456 5.382 0 1 HKAF COc1ccc(-c2oc3c(CC=C(C)C)c(OC)cc(OC)c3c(=O)c2OC)cc1 238747089 HBRVBEDGLBDWDH-UHFFFAOYSA-N 410.466 5.003 0 1 HKAF C[C@H](C(=O)OC/C=C/c1ccccc1)c1ccc2c(c1)SC[C@@H]1CCCC[C@H]1C2=O 253639408 XWEWIPKKCFHQRD-WGUDLSERSA-N 420.574 6.142 0 1 HKAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 586888638 LMQCPZHTQMJHEZ-QLJPJBMISA-N 413.237 5.490 0 1 HKAF Cc1c(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)oc2c1[C@@H](O)CCC2 586904733 AFENHPUHMQQVOF-NSHDSACASA-N 415.209 5.282 0 1 HKAF O=C1c2ccccc2-c2cc(/C=C\c3cccc(C(F)(F)F)c3)nc3ccc(O)c1c23 586987177 UHGVCKGYZGNVCM-HJWRWDBZSA-N 417.386 6.341 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@]1(CCc2ccccc21)C3 586992176 YGTAVESWWQESSF-NDEPHWFRSA-N 403.481 5.525 0 1 HKAF Brc1ccc(-c2ccc(/C=C/c3nc4ccc5c(c4[nH]3)CCCC5)o2)cc1 586997993 GMCMPFXLXQYKIM-SDNWHVSQSA-N 419.322 6.635 0 1 HKAF CC(=O)N1C[C@@H]2Cc3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)-c3cccc1c32 587096013 BIJMLVSBIHFLQP-INIZCTEOSA-N 416.480 5.428 0 1 HKAF O=C1c2ccccc2-c2cc(C[C@](O)(c3ccccc3)C(F)(F)F)nc3cccc1c23 587103530 JAECLLZSSUKJSZ-DEOSSOPVSA-N 419.402 5.439 0 1 HKAF O=C1c2ccccc2-c2c(Cc3ccc(OC(F)F)c(F)c3)cnc3cccc1c23 587103595 LCWSLTOJCANMDL-UHFFFAOYSA-N 405.375 5.778 0 1 HKAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587151586 RXODYDGQSDKJPE-LBPRGKRZSA-N 407.445 6.258 0 1 HKAF COCC[C@@]1(Cc2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332058 IHEJSIPOCXGUDQ-ZCYQVOJMSA-N 424.443 5.047 0 1 HKAF CC[C@H](OC)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587345008 DKZBENJKWZATNG-GVUKDKGQSA-N 420.480 5.903 0 1 HKAF COc1cc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC 587345919 ADYOEWCJMIVDCA-NOZRDPDXSA-N 422.452 5.131 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCN1CCC(C)CC1)(c1ccc(F)cc1)O2 587385352 SFDVTSRIAQDTCT-VWLOTQADSA-N 410.533 5.089 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C(=O)OC(C)(C)C)c3c(C)cccc13)O2 587389017 DEMLOEZGQJHUSD-FQEVSTJZSA-N 406.482 5.330 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccc(C)cc4)c4ccccc14)[C@@H](C2)C3=O 587429238 AATCIKKBYSIZLL-KDYSTLNUSA-N 409.485 5.495 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc(C)c(Cl)c1)CC2=O 587460527 GUEWUWPDOOSGPE-QFIPXVFZSA-N 401.890 5.059 0 1 HKAF Cc1c(Cl)cccc1OCc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587506709 OGAABBQOKUYOHJ-DEOSSOPVSA-N 422.908 6.406 0 1 HKAF CCN1CCC[C@H]1Cn1c(C)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587510700 CEDGPAWXQNFMBI-NBGIEHNGSA-N 406.570 5.175 0 1 HKAF CCCC[C@H](CC)CCc1nc2nc(O)nc(O)c2cc1C[C@H](CC)CCCC 587561869 VTMIJHMXWLJLNF-ZWKOTPCHSA-N 401.595 6.344 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(F)c2F)o1 587568006 JJNLADJKHQRSKE-YKSBVNFPSA-N 420.367 5.633 0 1 HKAF C[C@@]1(CC23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601434 FZPXXTHZYCWGGO-FMUUIRHUSA-N 404.506 5.719 0 1 HKAF O=C(c1ccc(Br)cc1)c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587628485 LUJMUHKZBQYKSH-UHFFFAOYSA-N 420.587 5.973 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccn2)(C2CCCCC2)N1 587770049 HVABDMCDSUPTJT-SZNDQCEHSA-N 403.339 5.341 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccncc2)N1 587777394 HALRKMCJJLNENP-IVZQSRNASA-N 411.318 5.004 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)C[C@]1(CC3)N[C@H](C)Cc2ccc(F)c(Br)c21 587801219 DUBZAFWHVXYGED-DMZKTXOQSA-N 413.334 5.296 0 1 HKAF CC1=C[C@]2(C[C@H](c3ccccc3)C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587816748 CKQODCKZFVAAHI-YBOAYWMSSA-N 400.335 5.842 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2C2CCOCC2)N1 587837180 ZXCCBSUCXWYMLS-YEJXKQKISA-N 404.323 5.106 0 1 HKAF CCC[C@@]1(c2ccc(Cl)s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587845813 FXTUOPBYYJBCKM-BTDLBPIBSA-N 402.760 5.881 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(O)c(Cl)c1 587854906 HIURNHLFOUDMNE-UHFFFAOYSA-N 411.672 5.303 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCNc1ccccc1 587858324 DYKZYCLSEWIHPD-UHFFFAOYSA-N 404.297 5.398 0 1 HKAF CCCC[C@@H](CC)COc1ccc([C@@]2(C)c3cc(OC)ccc3CCN2C(C)C)cc1 962085814 ASWGIVGWXYAOFG-DFHRPNOPSA-N 423.641 6.820 0 1 HKAF COc1ccc2c(c1)[C@@](c1cccnc1OC)(c1sccc1C)N(C(C)C)CC2 962092083 MGKSCXHDNMPDEM-DEOSSOPVSA-N 408.567 5.027 0 1 HKAF COc1ccc2c(c1OC)[C@H](c1cccc(-c3ccc(C(=O)O)cc3)c1)N(C)[C@@H](C)C2 962634600 UNDQRYJXASHFLE-FYSMJZIKSA-N 417.505 5.035 0 1 HKAF C[C@@]1(c2c[nH]c3ccc(Cl)cc23)c2cccc(F)c2CCN1[C@H]1CCSC1 962699417 HSUXVFVTHBKKDN-NYHFZMIOSA-N 400.950 5.588 0 1 HKAF CCCCOc1ccc2ccccc2c1[C@@H]1N[C@@H](C)Cc2c(OC)ccc(OC)c21 963614877 ZNLSCKXXCSLQBR-QLXKLKPCSA-N 405.538 5.660 0 1 HKAF Cc1ccc(C[C@H]2c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)c(C)c1 963852738 DTJYMOHSUUBSTJ-YADHBBJMSA-N 423.553 5.532 0 1 HKAF CCCCCC=CCC=CCCCCCCCCCCCC(=O)OC[C@H](O)CO 2356285231 UCYPOAPUDLUXQX-XMMPIXPASA-N 410.639 6.257 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)C=CC(C)C)C1 2356463199 SAWMHXICEQYKKZ-YIYYBQRVSA-N 414.674 7.425 0 1 HKAF C[C@@H]1CC[C@@]2(C)[C@H](C)[C@@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1 2356484992 OTNXWKXFAAUSLG-GXGBQWNMSA-N 411.674 6.045 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C 2356501217 QTLHKKVOGSJGHS-ODLAGSSGSA-N 416.690 6.606 0 1 HKAF CC1=CCC[C@]23C[C@@]24CC[C@]2(C)[C@H]([C@@H](C)C[C@H](O)CC(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13 2356535773 JLOKHLVFHLMHMQ-BGRDSLDFSA-N 412.702 7.779 0 1 HKAF CC(C)=CC[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](N(C)C)CC3=CC[C@@]2(C)[C@H]2CC[C@@H]3CNC[C@]312 2356723554 MTTYFJALUXXPNR-ZTJAEYKRSA-N 410.690 6.051 0 1 HKAF C[C@@]1(c2nnc(-c3cccc(Cl)c3)o2)CC(c2ccccc2Br)=NO1 15937322 VVLSXKTUIRSWLV-SFHVURJKSA-N 418.678 5.192 0 3 HKAF CCc1ccccc1/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13527193 VQFLIHCSQSPSJT-QFEZKATASA-N 411.520 7.553 0 1 HKAF Cc1cc2ncn(C/C=C3\c4ccccc4COc4cc(C(=O)O)ccc43)c2cc1C 13727154 CUZLOIVMOKZGRA-ZVBGSRNCSA-N 410.473 5.376 0 1 HKAF O=C(O)[C@@H]1CCCN(CCOC=C(c2ccccc2Cl)c2ccccc2Cl)C1 13800118 KHOWMHVATXJTSK-MRXNPFEDSA-N 420.336 5.196 0 1 HKAF C[C@H]1[C@H](NC(=O)[C@@]2(C)CCC[C@]3(C)c4cc(O)ccc4CC[C@@H]23)C[C@@H]2C[C@H]1C2(C)C 28527081 AWFKUZKMHLKRBA-LRZFQQLUSA-N 409.614 5.589 0 1 HKAF C[C@@]1(C[C@](O)(CNc2cccc3ncccc23)C(F)(F)F)CCCc2ccccc21 28826285 IDXIGNMGABVLIG-GOTSBHOMSA-N 414.471 5.624 0 1 HKAF CCc1ccc(-c2nc(CCOc3ccc4c(c3)CC[C@H]4CC(=O)O)c(C)o2)cc1 28951941 RVMKQEIRIYDTHS-FQEVSTJZSA-N 405.494 5.338 0 1 HKAF COc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)cc1 29050157 NOAKWFYPYUCBDM-UHFFFAOYSA-N 402.450 5.138 0 1 HKAF CCC[C@](O)(c1ccc(Oc2ccccn2)c(OC)c1)c1cnc2ccccc2c1 40862608 ZLCJOKMNKKBLEM-VWLOTQADSA-N 400.478 5.467 0 1 HKAF CCn1cc/c(=N\c2cccc(CCc3ccc(OC(F)(F)F)cc3)c2)c(N)c1 43075054 YZCBKICPLKMDJF-SZXQPVLSSA-N 401.432 5.006 0 1 HKAF CC(C)=CCc1cc(/C=C/C(=O)OCCc2ccccc2)cc(CC=C(C)C)c1O 45337678 ZBIMVIRVELWVTH-NTCAYCPXSA-N 404.550 6.209 0 1 HKAF Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2c2nc(Cl)cc(Cl)n2)cc1 58609443 RVTFCPDGIABXML-NRFANRHFSA-N 409.320 5.725 0 1 HKAF CC(C)=CCN1C(=O)[C@]2(CC(C)=CC[C@H](COc3ccccc3)O2)c2ccccc21 66128815 HEHNCNNGJHGQJK-GJZUVCINSA-N 403.522 5.399 0 1 HKAF CC[C@H](C)NC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc(-c2ccccc2)cc1 82159298 MYZBWMGZIMUDHW-IBGZPJMESA-N 416.569 5.431 0 1 HKAF COc1c2c(cc3c1CCC(C)(C)O3)OC[C@H](c1ccc(O)c3c1OC(C)(C)C=C3)C2 85956007 POHNDGZXXXCXFF-OAHLLOKOSA-N 422.521 5.407 0 1 HKAF endogenous,in-man CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 96014883 AOQRDALGACAKHI-VKIORFFDSA-N 414.718 7.881 0 1 HKAF CC(C)c1n[nH]c2c1[C@@H](c1ccccn1)N(c1ccc(-c3ccsc3)cc1)C2=O 96177240 ZLTKSWVKSNFZRX-JOCHJYFZSA-N 400.507 5.406 0 1 HKAF CC(=O)N[C@H]1CC[C@H](CCN2CCC(Cc3cccc(C(F)(F)F)c3)CC2)CC1 101505823 ACKBCTLAXFJWPZ-CXGRPWHSSA-N 410.524 5.045 0 1 HKAF Cc1ccccc1CSc1nc2n(n1)[C@H](c1ccccc1F)C1=C(O)CCCC1=N2 103894108 OQVWCQQTTMTZDC-OAQYLSRUSA-N 420.513 5.689 0 1 HKAF CCCCN(CCCn1cnc2c3cc(C)ccc3nc-2c1O)Cc1ccccc1 103903909 RQHKLLISLTTYAZ-UHFFFAOYSA-N 402.542 5.243 0 1 HKAF CC(C)Oc1ccc2[nH]c3c(C(N)=O)cc(-c4ccc(Cl)c(Cl)c4)cc3c2c1 113198822 LSAFSUXTPHCJJH-UHFFFAOYSA-N 413.304 6.181 0 1 HKAF CCN(CC)CCCN1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 148733110 ZHJNAQNCUSKTRA-NWOVYUSRSA-N 401.598 6.015 0 1 HKAF CC1=CCC[C@@H]2[C@@]1(C)CC[C@@H](C)[C@@]2(C)CC/C(C)=C/Cn1c[n+](C)c2c(N)ncnc21 169304445 NALGSOQQUZLOIK-FYJKNVNRSA-N 422.641 5.363 0 1 HKAF CC[C@@H](C)C(=O)OCC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@]12CC[C@](C)(CC(=O)O)O2 238731614 BXQDNZTUHVQBRI-XNZJAYFFSA-N 420.590 5.521 0 1 HKAF CCCCNC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc(C)c1 299877320 HAQWXGIWOXBEKK-CMCXCUNFSA-N 420.601 5.465 0 1 HKAF CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(-c3ccccc3)cc2)[nH]c2ccccc12 473084155 QQWQBWGPTUUIBV-UHFFFAOYSA-N 424.544 6.333 0 1 HKAF Brc1cc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586885018 SUJLSVKBQJZSAM-NOTQWWDFSA-N 410.153 5.556 0 1 HKAF CCCCOc1cc2nc(CSc3ccc(C)cc3C)[nH]c2cc1Br 586963487 KBBICAAZUOQJNR-UHFFFAOYSA-N 419.388 6.413 0 1 HKAF Cc1ccc(SCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(C)c1 586965487 YYABUPUSBAWNJT-UHFFFAOYSA-N 401.560 6.749 0 1 HKAF Nc1nccc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c12 587013806 YVPLVOGYVSEDIN-UHFFFAOYSA-N 417.925 5.575 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(Cl)c(F)cc3[nH]1)N2 587032197 RUVSVEZIYCHURX-RGEMTFFCSA-N 422.938 5.482 0 1 HKAF Fc1c(F)c(F)c2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1F 587072174 WXLWEGAZHLSMIF-UHFFFAOYSA-N 406.766 6.019 0 1 HKAF COC(=O)c1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cn1 587073199 GNRUGYMUEAHMBC-QGOAFFKASA-N 417.896 5.571 0 1 HKAF Oc1cccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 587077736 XNOITAVVJJTXQC-PEZBUJJGSA-N 423.903 6.624 0 1 HKAF Cc1ccc2c3c(cc(-c4cc5ccc(O)cc5oc4=O)nc13)-c1ccccc1C2=O 587102401 PEONAHKZPMQXLA-UHFFFAOYSA-N 405.409 5.234 0 1 HKAF CCOc1cc(/C=C/c2nc3ccc(Br)cc3[nH]2)ccc1OC(F)F 587130647 NNBLTFKYFHYUOX-XBXARRHUSA-N 409.230 5.496 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4cc(Br)cc(C)c4[nH]3)ccc2F)cc1 587139791 WPTCOGDIUSAVEG-UHFFFAOYSA-N 423.285 6.310 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCc3ccc(Cl)cc3C2)[C@H]1c1ccc(F)cc1 587326468 BVOPYFCWTZSZEN-LADGPHEKSA-N 408.856 5.471 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCc3ncc(Cl)cc32)[C@@H]1c1ccc(F)cc1 587330575 NVHSCRAAELWKFA-GGAORHGYSA-N 409.844 5.170 0 1 HKAF COc1ccc([C@]2(c3cccc(Cl)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587420687 QPYAEJOWMAQYKU-HYBUGGRVSA-N 406.865 5.048 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccccc3)n(C)c3ccccc13)CC2=O 587471762 UJJZNOMZNDREDQ-XMMPIXPASA-N 411.501 6.210 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(OCC)cc1O)CC2=O 587479241 MGVHIUFXCDGZGY-AREMUKBSSA-N 418.489 5.358 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1sc(Oc3ccccc3)nc1Cl)CC2=O 587494631 MXAYZJNAAPEFMW-QGZVFWFLSA-N 415.898 5.953 0 1 HKAF CC(C)(C)OC(=O)n1ccc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cccc21 587514134 FQHPPBOIHGYOSM-QHCPKHFHSA-N 417.505 6.010 0 1 HKAF C[C@@]1(Cc2c(Cl)cccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541238 FBBMPHVINJQSMN-UGKGYDQZSA-N 415.272 5.662 0 1 HKAF COc1ccccc1C[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587599637 HCWGSCDGPIHTQI-RNHNHXFSSA-N 416.473 5.144 0 1 HKAF CCN(CC)c1ccc(-c2nn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 587665390 LVHITFJJIXKLCD-UHFFFAOYSA-N 419.912 5.258 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=Cc3cc(Cl)ccc3OC2)N1 587698264 NOEQKBIMJGFVRM-OVWNDWIMSA-N 408.698 5.293 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccc(Cl)c(Cl)c2)N1 587700600 ZLBBOBPOMSITHQ-QFYYESIMSA-N 417.149 6.103 0 1 HKAF Cc1ccc([C@]2(c3cccnc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587773820 KABWPJVXLQEQHL-IVZQSRNASA-N 411.318 5.118 0 1 HKAF Cc1noc(-c2ccccc2)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587790419 BZZMGRZXZXLRSP-WLRWDXFRSA-N 401.279 5.175 0 1 HKAF CCCOc1c(C)cc(C)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587795679 RGHUQMSFGLVBFL-XOBRGWDASA-N 406.339 5.617 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2cc(Cl)ccc2s1 587864625 QCBBQCPXJUYEJM-UHFFFAOYSA-N 409.820 5.830 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(Br)cc1 587864678 RZEULWDTXCZYSX-UHFFFAOYSA-N 411.221 5.719 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(OC(C)C)c1 587864864 RIEGPPPYLOYULR-UHFFFAOYSA-N 418.415 5.443 0 1 HKAF COc1ccc([C@@H]2C[C@H]2[C@@]2(c3ccccc3)NCCc3c(Cl)cc(Cl)cc32)cc1 963111792 SHMHWERPEFXFDZ-PWWKTKHKSA-N 424.371 6.195 0 1 HKAF Brc1cc(Br)cc(Oc2cccc3oc4ccccc4c23)c1 1772586013 CGNOIUFRMFKFOQ-UHFFFAOYSA-N 418.084 6.903 0 1 HKAF COc1ccc(Nc2c(-c3ccc(OC)cc3)c(=O)oc3cc(OC)ccc23)cc1 1772604336 SPEOYVDVLDHSIW-UHFFFAOYSA-N 403.434 5.229 0 1 HKAF CC(C)(C)c1nc(Nc2cccc3ccccc23)sc1Cc1ccc2c(c1)OCO2 1772612208 TYDUUQRHIOBGQD-UHFFFAOYSA-N 416.546 6.657 0 1 HKAF O=C(c1ccc(Cl)cc1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc(F)c(F)c1 1857605721 KBMTYOXVAGVZLK-QHCPKHFHSA-N 422.862 5.887 0 1 HKAF CC1=C[C@H](CN(CC2CC2)CC2CC2)[C@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 2356354245 HVYDMGZREQLYCH-ZRBLBEILSA-N 406.618 5.477 0 1 HKAF CC(C)CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)C=C[C@@]3(CC[C@H]2[C@]1(C)C(=O)O)C4 2356384030 JGWDLHUEZNKLAX-GRCPJKRHSA-N 402.575 5.608 0 1 HKAF CC(CC(=O)CC(C)C)=C1CC[C@@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@@]4(C)C3=CC[C@@]12C 2356423041 LVHAXINBKWVAEE-QZJINYJCSA-N 414.630 5.603 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356558076 LGJMUZUPVCAVPU-ZDUJNYJPSA-N 416.734 8.105 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2C(=CCO)[C@H]([C@]3(C)CC[C@H](O)C[C@H]3O)CC[C@]21C 2356793152 KGIPQHXEDZVYGK-MHZCVIMPSA-N 418.662 5.498 0 1 HKAF COc1cccc(-c2cc3c(Nc4cc(OC)c(OC)c(OC)c4)nccc3n2C)c1 205230953 UUNIEBWXEBFFGQ-UHFFFAOYSA-N 419.481 5.018 0 3 HKAF COc1cc(C(C)=O)ccc1OCCCCN1CCC(c2noc3ccccc23)CC1 12356411 ZDCLHBFINMVMFC-UHFFFAOYSA-N 422.525 5.078 0 1 HKAF CC(=O)O[C@@H]1[C@H](C)OC(=O)[C@H]1CCCCCCCCCCCCC1=C[C@@H](C)OC1=O 13359016 FXNASNSEMIBZQX-JZZBYWGLSA-N 422.562 5.033 0 1 HKAF biogenic CC(=O)O/C=C/C(=C/OC(C)=O)CC/C=C(\C)CC[C@H]1C(C)(C)CCC[C@]1(C)O 13429957 YULSAIDMTJJFTN-YGUJOSJKSA-N 406.563 5.594 0 1 HKAF Cc1cc(C)c(NC(=O)c2ccc3nc(NC(=O)OC(C)(C)C)sc3n2)c(C)c1 13533793 YVUFJNJUYYXLHZ-UHFFFAOYSA-N 412.515 5.216 0 1 HKAF CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12 13560060 CZZNAZRFMIBLFO-UHFFFAOYSA-N 417.336 5.973 0 1 HKAF CC1(C)CCC(C)(C)c2cc([S@@](=O)c3ccc4cc(C(=O)O)ccc4c3)ccc21 26720797 QVOLSQOQDVPIBG-GDLZYMKVSA-N 406.547 6.054 0 1 HKAF O=C(O)c1c2c(nc3ccc(C(F)(F)F)cc13)-c1ccc(-c3ccccc3)cc1CC2 26836558 CYQSLVIPUKWXFV-UHFFFAOYSA-N 419.402 6.384 0 1 HKAF O=C(O)Cc1coc2cc(OCc3cc(-c4ccc(C(F)(F)F)cc4)on3)ccc12 28822702 ABYFOELKELEOKM-UHFFFAOYSA-N 417.339 5.313 0 1 HKAF Cn1c(C2CCC3(CC2)OC(=O)c2ccccc23)nc2cc(Cl)c(Cl)cc21 40423982 NVBCSZKIUGEATP-UHFFFAOYSA-N 401.293 5.604 0 1 HKAF CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2Nc1cc(F)ccc1C 40933916 WZAIWTPZFGYJLI-NRFANRHFSA-N 418.556 6.819 0 1 HKAF CCC(C)(C)c1cc2c(OC)c3c(c(C(C)(C)CC)c2oc1=O)OC(C)(C)CC3 43013205 IDQMZDUIPIGXBX-UHFFFAOYSA-N 400.559 6.280 0 1 HKAF CN(C)CCC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 45298347 JWBAQPOCVFZNLH-XMMPIXPASA-N 406.957 5.820 0 1 HKAF O=C1c2cc(Cl)ccc2Oc2ccccc2C12CCN(CCc1ccccc1)CC2 60051742 AWMHIVDZZHTQJL-UHFFFAOYSA-N 417.936 5.905 0 1 HKAF c1ccc(-c2ccc(OCc3cn(C(c4ccccc4)c4ccccc4)nn3)cc2)cc1 72177454 UKJDPTCXLZLGJB-UHFFFAOYSA-N 417.512 6.162 0 1 HKAF Cc1oc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccccc2)nc1-c1ccccc1 82162530 NGEYSUBDATWKAL-WZONZLPQSA-N 424.548 6.765 0 1 HKAF CCCCCn1c(-c2cccc(O)c2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82187859 KXZVOQXIOKPSOZ-SFHVURJKSA-N 415.541 5.605 0 1 HKAF CC1(N[C@@H]2CCOC[C@H]2CC(=O)c2ccc(C(F)(F)F)cc2C2CC2)CCCC1 96170658 IFAJQGOPWAVAHI-OXQOHEQNSA-N 409.492 5.483 0 1 HKAF CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccccc2)nc2ccc(OC)cc12 100676417 RXHOPRJTEMAFCF-AREMUKBSSA-N 406.570 5.846 0 1 HKAF OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@@H](C1)N2Cc1coc2ccc3ccccc3c12 101185509 OBLDKFKTBGJWKJ-VXKWHMMOSA-N 417.936 6.254 0 1 HKAF COc1ccc([C@@]23Cc4ccccc4[C@H](O2)C2=C(CC4(CCCCC4)OC2=O)O3)cc1 102888439 OTRKBCCWZBKJFL-JYFHCDHNSA-N 418.489 5.096 0 1 HKAF COc1ccccc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OCCc1ccccc1 103544475 LLDODLDZLXLSJW-XMMPIXPASA-N 417.505 5.289 0 1 HKAF C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCCC3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C 105178393 MSLPWLIMOWYVED-HQEOYTPBSA-N 422.548 5.001 0 1 HKAF O=C1Nc2ccccc2[C@]12N(c1ccccc1)N=C(c1ccccc1)N2c1ccccc1 141264553 NDSSRBXYGILBAY-MHZLTWQESA-N 416.484 5.180 0 1 HKAF FC(F)(F)c1nc2cc(Nc3nccc(-c4ccccn4)n3)cc(C(F)(F)F)c2[nH]1 144248118 VXZXSTKJQWNPHJ-UHFFFAOYSA-N 424.308 5.196 0 1 HKAF O=C(Oc1ccccc1)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 169314049 BTRDJLBCRUKQNT-HCMBGFJPSA-N 414.332 5.465 0 1 HKAF CCCN(CCC)C(=O)[C@@H]1C(C)=Nc2ccnn2[C@H]1c1ccc(Cl)c(Cl)c1 169720766 IBUCUBNOYQICMA-MOPGFXCFSA-N 407.345 5.150 0 1 HKAF CCc1ccc(-c2cc(F)sc2COc2ccc(CCC(=O)O)c(C)c2C)cc1 214176286 FOMYBSKJNHCSSC-UHFFFAOYSA-N 412.526 6.330 0 1 HKAF Cc1cc2ncccc2cc1[C@@H](C)n1cnc2ncc(-c3cnc4ccccc4c3)nc21 222104257 DUFHSDMKVRQMJP-QGZVFWFLSA-N 416.488 5.507 0 1 HKAF CC(C)=CCC[C@@]1(C)CC=C2CO[C@]3(C)CC[C@]2(O3)[C@@H]1/C=C\OC(=O)C=C(C)C 238764590 DYJKAEXCVPJAAQ-YKGLSGBBSA-N 400.559 6.004 0 1 HKAF CN1[C@H]2CC[C@H]1[C@@H](c1cc(-c3ccc(Cl)cc3)no1)[C@H](c1ccc(Cl)cc1)C2 261181973 WHFIJZLIDVACTG-YDWJEQILSA-N 413.348 6.382 0 1 HKAF COc1cc(-c2n[nH]c(Cc3ccc(Cl)c(Cl)c3)n2)ccc1-c1cnc(C)o1 473247551 FTXWWJGHFBISCK-UHFFFAOYSA-N 415.280 5.341 0 1 HKAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 586914969 DFNWFOGQMLQQMJ-UHFFFAOYSA-N 414.339 5.230 0 1 HKAF CCOc1cc(/C=C\c2nc3ccc(C(C)=O)cc3[nH]2)cc(Br)c1OC 586977428 GMXGJDPCZSORKY-YVMONPNESA-N 415.287 5.106 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2cc(C)c(Cl)cc2[nH]1 586980836 AYTJGTMGDXVPKO-UHFFFAOYSA-N 421.766 6.913 0 1 HKAF O=C1c2ccccc2-c2cc(-c3nc(-c4ccccc4)cs3)nc3ccc(O)c1c23 586994490 UXGPFTKFBGSYTA-UHFFFAOYSA-N 406.466 5.942 0 1 HKAF Brc1ccc(NCCc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 586995869 KHWCPNYSLPULEN-UHFFFAOYSA-N 424.367 6.131 0 1 HKAF Cc1ccc2c(ccc3nc(-c4csc(-c5cc(Cl)cc(Cl)c5)n4)[nH]c32)n1 587015641 UJBDQFMHJIZHMT-UHFFFAOYSA-N 411.317 6.517 0 1 HKAF Cc1ccc(C)c2[nH]c(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)nc12 587018882 QRJUGHSBKKDABS-UHFFFAOYSA-N 416.377 6.936 0 1 HKAF Fc1cc2[nH]c(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc2cc1Cl 587060613 PXYGUEWEOMOKJX-UHFFFAOYSA-N 408.263 6.891 0 1 HKAF Cc1cc(Br)cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 587120233 DNRZIPXUKCFIAI-UHFFFAOYSA-N 413.119 5.062 0 1 HKAF Cc1cc(Br)c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1F 587137666 FCZCWAZHFLAWLL-UHFFFAOYSA-N 413.315 6.591 0 1 HKAF Fc1ccc(-n2nnc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c2C2CC2)cc1 587167715 BLAJIXHJJNPGAV-UHFFFAOYSA-N 411.440 5.619 0 1 HKAF c1ccc(CNc2ncccc2-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 587229986 OPAVMRZXQWEPKY-UHFFFAOYSA-N 406.489 5.816 0 1 HKAF C[C@]1(c2c(Cl)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325483 FZBQILSFWKUROL-UGKGYDQZSA-N 417.263 6.112 0 1 HKAF CC(C)(C)Oc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587344430 CMEOJZDMYIXDMG-OZXSUGGESA-N 420.480 5.983 0 1 HKAF Cc1cc2c(cc1C)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587360288 USHHIAFCWWQTCT-ILBGXUMGSA-N 404.437 5.185 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccccn2)(c2cccs2)[C@@H]1c1ccc(F)cc1 587374624 KYQSCQGQONMTGV-VWNXMTODSA-N 417.461 5.291 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC1CC1)(c1ccc(Br)cc1)CC2=O 587457812 NRVXDMIUOKXTOS-QFIPXVFZSA-N 415.327 5.768 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(OCC)c(OCC)c1)CC2=O 587461224 RHMPPISMWQBFFB-LJQANCHMSA-N 404.890 5.502 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccccc3C(=O)OC)cc1)CC2=O 587482475 TZIJNHWZMIOKTH-XMMPIXPASA-N 416.473 5.505 0 1 HKAF C[C@@]1(c2cc(Br)cnc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587497862 MYQUYJSCNUPYMW-IBGZPJMESA-N 406.707 5.257 0 1 HKAF O=C1C[C@]2(CCCN(C(=O)OCc3ccccc3)CC2)Oc2c1ccc1c2CCCC1 587513917 LWXKTQIMCZGAFH-AREMUKBSSA-N 419.521 5.092 0 1 HKAF CCCCn1nc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl 587551134 DPSXNKUHVZKDKI-RXVVDRJESA-N 412.873 5.054 0 1 HKAF Cc1ccc([C@@]2(c3cccnc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587584517 ARDVTGGOKNMZFF-OZXSUGGESA-N 409.441 5.001 0 1 HKAF Cc1cc(Br)sc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612691 KOGXGXKPOMKDRC-CRAIPNDOSA-N 417.280 5.228 0 1 HKAF CCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587697303 SMMUKQCRYBUGDP-NSPYISDASA-N 412.730 5.654 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nc3ccccc3n2C(F)F)N1 587719569 QTSUVYHPVZWNFD-DGIBIBHMSA-N 424.264 5.131 0 1 HKAF C/C=C/[C@]1(C2=C(C)CCCC2(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587816155 UUZQJOKOTOZCRJ-FDLGVJDCSA-N 406.383 6.420 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1oc2ccccc2c1C 587859145 RQPPXFYLYXRBTB-UHFFFAOYSA-N 415.276 5.999 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc(CC)cc1 587864256 IJVCUWCVHKXMFF-UHFFFAOYSA-N 418.415 5.249 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cn(C)c2ccccc12 587865798 JKKSNGVRWBPVDG-UHFFFAOYSA-N 413.399 5.148 0 1 HKAF Cc1ccc2[nH]c(-c3ccc(-c4nc(-c5cccc(Cl)c5)cs4)cc3)nc2c1 587920675 NDSPYICTDRRVBU-UHFFFAOYSA-N 401.922 6.982 0 1 HKAF COc1ccc(-c2ccc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c(O)c2)cc1OC 587925659 CALLXFQKOILLJD-UHFFFAOYSA-N 416.264 5.322 0 1 HKAF CC(C)Oc1ccc(OC(C)C)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 587945767 PPLKXLKQXFERNY-UHFFFAOYSA-N 409.501 6.472 0 1 HKAF Cc1ccccc1-c1ccc(Cc2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 587960065 VMSCURVEHZMGSX-UHFFFAOYSA-N 405.339 6.508 0 1 HKAF COc1ccc2c(c1OC)[C@H](c1ccc(N(C)c3ccccc3)cc1)N(C)[C@H](C)C2 962632427 JNTPUSLNFMWZHL-CJAUYULYSA-N 402.538 5.438 0 1 HKAF Cc1cc([C@]2(CC(=O)C(F)(F)F)c3ccsc3CCN2Cc2ccco2)c(C)o1 962707912 PIKQAXXXGYPDKM-FQEVSTJZSA-N 423.456 5.374 0 1 HKAF CCOC(=O)[C@]1(c2cc(Cl)sc2Cl)c2c(F)cccc2C[C@@H]2CCCN21 963102836 SERIEHUAFKBUNZ-BUXKBTBVSA-N 414.329 5.021 0 1 HKAF COc1ccc2cc(C(=O)C[C@@]3(C)NCCc4c(Cl)cc(Cl)cc43)ccc2c1 963106056 JLHCRLMSBJARFK-HSZRJFAPSA-N 414.332 5.789 0 1 HKAF CC(C)c1ccccc1-n1cccc1[C@@H]1c2cccc(Br)c2CCN1C 963289448 NFDZRJWIYYHHPQ-QHCPKHFHSA-N 409.371 5.941 0 1 HKAF COc1cncc(C2=CC=C3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]23C)c1 1772621041 NATIRFQZFPSFIZ-YRTXZGQNSA-N 419.565 5.898 0 1 HKAF Brc1ccc(-n2cc(COc3ccc(-c4ccccc4)cc3)nn2)cc1 1772657731 DNLPUVXIWAAFQY-UHFFFAOYSA-N 406.283 5.276 0 1 HKAF COc1cc(-c2ccc(C=CC(=O)O)cc2)cc(C2C3CC4CC(C3)CC2C4)c1O 2356322701 ZODQBQWMOKLXNE-UHFFFAOYSA-N 404.506 5.705 0 1 HKAF CCOC(=O)CC(=O)OCC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CCc1ccoc1 2356454160 BBVMQJIDBJNEFS-UQRMEHQUSA-N 416.558 5.488 0 1 HKAF CC(C)=C[C@@H]1C[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@@]23C)O1 2356527111 WQLADPPAYVUSAB-FYMLEPJSSA-N 403.610 6.938 0 1 HKAF CC(C)=CCCC(C)=CCOc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O 2356557678 WTJXQLRTGAFRSC-QHCPKHFHSA-N 408.494 5.876 0 1 HKAF CC(C)=CCCC(C)=CCCC(C)=CCC[C@@]1(C)CCc2c(cc(C)c(O)c2C)O1 2356580069 KNOLXXFWGWYXEX-NDEPHWFRSA-N 410.642 8.292 0 1 HKAF Cc1cc(Br)cn2c(Cc3ccsc3)c(-c3cccc(Cl)c3)nc12 95567887 STXSPQONEACILB-UHFFFAOYSA-N 417.759 6.378 0 3 HKAF O=C(CC1CCCC1)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12 13489798 SQIOSKPMCKIBDS-UHFFFAOYSA-N 419.365 5.671 0 1 HKAF CCc1nc2c(n1[C@H](CC)C1CC1)C(=O)N(C)CN2c1ccc(Cl)cc1Cl 13582809 CZLLITQMQKMSFD-OAHLLOKOSA-N 407.345 5.295 0 1 HKAF COc1cc2cc3c(c(-c4ccc5c(c4)OCO5)c2cc1OCC=C(C)C)C(=O)OC3 14726770 GJNRUFQOJBJTQZ-UHFFFAOYSA-N 418.445 5.260 0 1 HKAF biogenic COc1ccc2c(c1CC=C(C)C)O[C@@H]1c3cc(CC=C(C)C)c(O)cc3OC[C@@H]21 15203467 OFTVQUQKDYNGED-HFZDXXHNSA-N 406.522 6.028 0 1 HKAF biogenic Clc1ccc(N2CCN(CCCOc3cc4c(cc3Cl)CCC4)CC2)cc1 26502115 FOLUVDQVWYIZEY-UHFFFAOYSA-N 405.369 5.073 0 1 HKAF COc1ccc([C@@H]2[C@@H](CCCc3ccc(O)cc3)C(=O)N2c2ccc(OC)cc2)cc1 28102737 JDCSXWIOXFEYET-JWQCQUIFSA-N 417.505 5.136 0 1 HKAF Cc1ccc(Cl)c(-c2cc3cnc(Nc4ccccc4)nc3n(C)c2=O)c1Cl 28136195 OJVLYJKQBZPGBK-UHFFFAOYSA-N 411.292 5.354 0 1 HKAF C/C=C/[C@H]1C=Cc2c3c(c4oc(=O)c(Cl)c(CCC)c4c2O1)C(=O)C[C@@H](C)O3 29133701 PETZJDWWZFWEAM-XCOQAZTISA-N 400.858 5.103 0 1 HKAF COC(=O)[C@H](Oc1ccc(Cl)c(C)c1)c1ccc(Oc2ccc(Cl)cc2)cc1 39242775 ITFXYOXAQVPRFM-OAQYLSRUSA-N 417.288 6.387 0 1 HKAF CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(OCc2ccccc2)cc1 40420296 NBHOQESCXBCMJH-RPWUZVMVSA-N 415.489 5.041 0 1 HKAF CCCN1N=C2/C(=C/c3ccc(OC)cc3)CSC[C@H]2[C@H]1c1ccc(OC)cc1 40646239 MEEVCJNTBYJZIA-HZHAZRMUSA-N 408.567 5.273 0 1 HKAF CCOc1ccc(NC(=O)O[C@@H](Cn2nc(C(C)C)cc2C(C)C)C(C)C)cc1 40893461 VOSRPUMHCHFZLS-QFIPXVFZSA-N 401.551 5.802 0 1 HKAF Cc1cc(-c2csnc2C)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 43009768 QKTNJBCILJOSFJ-UHFFFAOYSA-N 416.333 6.256 0 1 HKAF O=C(C1CCC1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2Cl)CC1 49049579 NSTSWSVXSSYQCZ-OAQYLSRUSA-N 403.353 5.027 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)Oc1ccccc1 72108205 DLEIFVXDMJAQOI-KUBAVDMBSA-N 404.594 8.070 0 1 HKAF Cc1ccc(Nc2ncc3scc(-c4cccc(C(=O)CC5CC5)c4)c3n2)cn1 96177560 JJXANOOYMQBRTF-UHFFFAOYSA-N 400.507 5.788 0 1 HKAF Cc1ccc(-c2c(C)noc2[C@H]2[C@@H](c3ccc(Cl)cc3)C[C@@H]3CC[C@@H]2N3C)cc1 101165951 JRAFMQOJLVTPIG-KHUIQGCPSA-N 406.957 6.346 0 1 HKAF Fc1ccc(C23CCN(CC2)Cc2cc(-c4ccc5ncnn5c4)ccc23)cc1Cl 114350273 JVICAIHCMVKYNI-UHFFFAOYSA-N 418.903 5.084 0 1 HKAF Clc1ccc(N2c3nc4ccccc4cc3Sc3cc4ccccc4nc32)cc1 137972976 UXWKTXSRSBRTNE-UHFFFAOYSA-N 411.917 7.371 0 1 HKAF CC[C@H](C#N)c1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(Cl)cc1Cl 142846721 XZXSOZFHHMLWTA-GFCCVEGCSA-N 419.743 6.555 0 1 HKAF COc1cc(C)cc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1 167067158 OSHTYZKMLISKPH-KRWDZBQOSA-N 423.431 5.165 0 1 HKAF NC1(c2ccc(-c3nc4cc(-c5cnc[nH]5)ccn4c3-c3ccccc3)cc2)CCC1 168313872 ZFGXZTDHBIUEIQ-UHFFFAOYSA-N 405.505 5.396 0 1 HKAF CCO[P@@](=O)(CC)Cc1ccc(Nc2cc(-c3ccccc3OC)ncn2)cc1 169346781 HQXFWJDXROHJFM-LJAQVGFWSA-N 411.442 5.730 0 1 HKAF Cc1ccc(NC(=O)c2cccc3cc(-c4cccc5[nH]nc(N)c45)ccc23)cc1F 169350181 UADBTKFTIIWITA-UHFFFAOYSA-N 410.452 5.665 0 1 HKAF COc1ccc2[nH]c(-c3ccccc3)c(Sc3cc(OC)c(OC)c(OC)c3)c2c1 199459555 CFICIQKUQLAWQI-UHFFFAOYSA-N 421.518 6.021 0 1 HKAF O=Cc1ccc(OCc2occc2-c2nc3ccc(Br)c(F)c3[nH]2)cc1 586901640 VGONVJVKDXHWLU-UHFFFAOYSA-N 415.218 5.116 0 1 HKAF CCCCCOc1cc2[nH]c(-c3ccc(COCC)o3)nc2cc1Br 586903425 QDFBCVCKQKDIAB-UHFFFAOYSA-N 407.308 5.691 0 1 HKAF Cc1cc2[nH]c(-c3ccc(S(=O)(=O)Nc4cccc(C)c4C)cc3)nc2cc1F 586946607 AZLYXTLRVAHPAM-UHFFFAOYSA-N 409.486 5.095 0 1 HKAF O=[S@](Cc1nc2cc(Cl)nc(Cl)c2[nH]1)C(c1ccccc1)c1ccccc1 586959777 MDJWINLLGKEKDT-HHHXNRCGSA-N 416.333 5.303 0 1 HKAF Cc1c(Cl)ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 586965050 DUHTVOXNNASDSJ-UHFFFAOYSA-N 409.946 5.334 0 1 HKAF Cc1ccc(-n2ccnc2SCc2nc3c(Cl)cnc(Cl)c3[nH]2)c(C)c1 586966140 HBSOZYZHANEJKT-UHFFFAOYSA-N 404.326 5.360 0 1 HKAF Cc1c(-c2ccc(C(F)(F)F)cc2F)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586993969 SSVQTFJOXVNGOG-UHFFFAOYSA-N 421.393 6.888 0 1 HKAF CC(C)(Oc1ccc(Br)cc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586997557 ZCKWDGCJJSGVKO-UHFFFAOYSA-N 417.200 5.797 0 1 HKAF COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3cccc(C)c3[nH]2)cc1OC 587057008 NAUCWGYQINZMNT-UHFFFAOYSA-N 421.884 5.461 0 1 HKAF Cc1c(Cl)ccc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 587072471 QQRZRQJFNOTBHW-ZSDFOQAISA-N 405.756 7.198 0 1 HKAF Cc1cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2cc1Cl 587092577 VEARUJLHUTVKAS-UHFFFAOYSA-N 409.717 5.547 0 1 HKAF CO[C@@H]1C[C@H](c2ccccc2)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587099933 YEQQNPPDOWFYHY-WZONZLPQSA-N 405.497 6.172 0 1 HKAF Cc1nc2c(C)ccc3c2c(c1Cc1ccc2c(c1)OCCO2)-c1ccccc1C3=O 587101039 BXAMLZQVQTZWNC-UHFFFAOYSA-N 407.469 5.425 0 1 HKAF CCOc1cc(/C=C\c2nc3cccc(Br)c3[nH]2)ccc1OC(F)F 587131194 WKEMXVGPHUGHJP-CLFYSBASSA-N 409.230 5.496 0 1 HKAF Fc1ccccc1-c1cccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587153231 OBKQNPYHCFTQST-UHFFFAOYSA-N 406.766 6.588 0 1 HKAF O=C(Nc1cccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1)c1ccc(F)cc1 587162706 IDTNWRULUCNKFH-UHFFFAOYSA-N 400.240 5.928 0 1 HKAF COc1ccc(C)cc1NCCCc1nc2ccc(Sc3ccccc3)cc2[nH]1 587229408 XIXXMCOHDCYYCZ-UHFFFAOYSA-N 403.551 6.076 0 1 HKAF CCOc1ccc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587347436 DKCZGXMATCLNQV-ZCYQVOJMSA-N 406.453 5.290 0 1 HKAF CCCc1ccc([C@@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587352926 KFQMNCPILDECQF-AHKZPQOWSA-N 418.508 6.394 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1ccccc1Cl)[C@@H](C2)C3=O 587418357 GWPNXHQYOJUSBI-MBSDFSHPSA-N 411.284 5.693 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccc5ccccc5c4)cc1)[C@@H](C2)C3=O 587441132 CXXOHDYITAPDDU-CUBQBAPOSA-N 422.480 5.916 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(SC(F)(F)F)c(OC)c1)CC2=O 587464589 UEJBBAOPIHSRNW-MRXNPFEDSA-N 412.429 5.672 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1nccc3ccccc13)CC2=O 587490023 OAGMOHKHQNPIAA-MHZLTWQESA-N 409.485 5.802 0 1 HKAF O=C1C[C@@]2(C=C(c3ccccc3)Oc3cc(O)ccc32)Oc2c1ccc1c2CCCC1 587532581 OZVTWOUIHAEFMW-MHZLTWQESA-N 410.469 5.565 0 1 HKAF Cc1nc(Nc2cccnc2)sc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587534766 FIMHCIYDTARAKQ-QHCPKHFHSA-N 405.523 5.350 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(Cl)cc1O 587547805 UQLZAIKXIFFWDC-PXNSSMCTSA-N 403.217 5.108 0 1 HKAF Cc1cc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1C=O 587602375 JQZPRKULZOZHLK-WIOPSUGQSA-N 402.446 5.007 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 587603882 SCHYZUVHWQUYIT-IGKIAQTJSA-N 408.453 6.071 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1CCC(c2ccccc2)CC1 587605431 ZOXNSHGMKOCIQP-USBKJETMSA-N 400.474 5.696 0 1 HKAF O=Cc1ccc(Oc2c(-c3ccc(Cl)c(Cl)c3)[nH]c3cc(F)ccc23)cc1 587632488 FQYQNUXXWHXGOT-UHFFFAOYSA-N 400.236 6.886 0 1 HKAF CCOC(=O)c1c(-c2cc(F)cc(Br)c2)[nH]c2ccc([C@@H](C)CC)cc12 587640935 GZABDCAOAWNWHZ-LBPRGKRZSA-N 418.306 6.427 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(Cl)c(Cl)c2)N1 587693360 NGBSLVUTQZDHLA-VGDKGRGNSA-N 423.540 6.172 0 1 HKAF CC[C@@]1(c2cc(F)c(OC)c(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587721563 PKPOYVASJIFPLG-OVWNDWIMSA-N 414.265 5.063 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(F)cc3)cc2)N1 587730408 FTEAYHHNOSZLRY-DMZKTXOQSA-N 414.293 6.018 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2)(C2CC2)N1 587815251 LFKOLQOUWGRVLN-ZSEKCTLFSA-N 402.307 5.001 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ccc(C(C)(C)C)cc32)N1 587816838 DVTPQSBDBVJBSR-QKFKETGDSA-N 416.378 6.000 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H](c3ccccc3)C2)N1 587818029 OQZLRHOGENFKBD-YBOAYWMSSA-N 402.351 6.066 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc2ncccc12 587858336 FKXLECFPZRYDQA-UHFFFAOYSA-N 412.276 5.492 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1ccccc1C(F)(F)F 587861091 MSGNNMPQGVTGPR-UHFFFAOYSA-N 400.322 5.645 0 1 HKAF Cc1ccc(COc2ccsc2C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587876304 NORXGEMUOWDGCJ-UHFFFAOYSA-N 406.438 5.432 0 1 HKAF CCOC(=O)c1cc(OCC)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1OCC 587943631 LLQSIWGQTKTBCX-UHFFFAOYSA-N 415.436 5.397 0 1 HKAF FC(F)(F)c1nc(Cl)[nH]c2nc(Cc3ccccc3Oc3ccccc3)nc1-2 587949187 AENHEFVSALOZSV-UHFFFAOYSA-N 404.779 5.360 0 1 HKAF CO[C@H](C)COC1CCC(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CC1 587951859 JDHUBGJKQCICIC-VOMCLLRMSA-N 406.832 5.193 0 1 HKAF c1ccc([C@@]2(c3cccc4ccccc34)c3ccsc3CCN2Cc2ccco2)cc1 962706505 MMFYXYIFHYXMIF-MUUNZHRXSA-N 421.565 6.845 0 1 HKAF CC(C)c1nn(C)c2c1[C@](C)(c1cc(Cl)c(Cl)c(OC(F)(F)F)c1)NCC2 962921537 OBBZVHYASPMYBC-KRWDZBQOSA-N 422.278 5.158 0 1 HKAF Cc1ccc(C)c([C@@]2(c3ccccc3Cl)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963035621 SBFROEYYJOLBQN-QYBDOPJKSA-N 416.952 5.302 0 1 HKAF Cc1ccc(/C=C/[C@@]2(c3ccco3)c3cccc(Br)c3CCN2C)cc1 963280793 OXVBJKUGUAVDQH-KHMHUBCMSA-N 408.339 5.795 0 1 HKAF CCOc1ccccc1-c1cc([C@@H](CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c1 1772646799 LUWLWLPJDXURAM-QGZVFWFLSA-N 420.387 5.069 0 1 HKAF CCN(CC)CCCCCCOc1ccc(/C=C/C(=O)Nc2ccccc2)cc1OC 1772658114 SUHSTQZPQZATNC-FBMGVBCBSA-N 424.585 5.628 0 1 HKAF Cc1[nH]c2c(C3=CCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2ncccc2c1 1857600166 WDBNFAIZZSODBR-UHFFFAOYSA-N 418.500 5.781 0 1 HKAF Cc1sc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1cccc(Cl)c1 1857632411 WALUOMJMJCMOKM-UHFFFAOYSA-N 412.898 5.171 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4c5cccnc5CC[C@@]43C)[C@@H]1CC[C@@]2(O)Cc1ccccn1 1857767725 XXFKGSMIXWDGMM-CCYFCZFRSA-N 414.593 5.633 0 1 HKAF Clc1ccc(-c2nc3ccc(Cc4ccccc4)cn3c2CN2CCOCC2)cc1 1857770577 TYTKEHIISJXOCI-UHFFFAOYSA-N 417.940 5.078 0 1 HKAF CC(C)CNC(=O)C=CC=CCCCCCCCCC=Cc1ccc2c(c1)OCO2 2356511576 DRMOIHOBUYFDKF-UHFFFAOYSA-N 411.586 6.434 0 1 HKAF CC(C)=CCC[C@]1(C)CC=C2CO[C@@]3(C)CC[C@@]2(O3)[C@H]1C=COC(=O)C=C(C)C 2356620771 DYJKAEXCVPJAAQ-QVQNZMNRSA-N 400.559 6.004 0 1 HKAF CO[C@@H]1C=C2[C@@H](O)C[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@H]4[C@H](C)CCCC(C)C)[C@@]2(C)CC1 2356765858 SIYANCUAIYPIFS-PYWLCAGWSA-N 416.690 7.014 0 1 HKAF CCCC(=O)c1cnc2c(OCCCN(C)C)cccc2c1Nc1ccccc1C 1541160 SQYLAMYROIROQT-UHFFFAOYSA-N 405.542 5.600 0 1 HKAF CC(C)c1csc(/C=C/c2cccc(NC(=O)Cc3ccccc3C(=O)O)c2)n1 3799783 RDMZDHDVZLZEBR-ZHACJKMWSA-N 406.507 5.316 0 1 HKAF Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCOC[C@@H]1C 13742570 DNKXOFVSVWYRKE-IBGZPJMESA-N 412.533 5.055 0 1 HKAF C/C(=C/C=C/C(C)=C/C=C\C=C(/C)CCCO)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1 14827111 SMTGOURXPBLNQN-FQRRRVFFSA-N 412.614 5.975 0 1 HKAF endogenous,in-man CCOc1cc2c(cc1OC(C)=O)CCC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]12 26491301 HWAVFONLHJLREU-CYHODCBMSA-N 414.542 5.189 0 1 HKAF C[C@H]1CN(CCc2ccccc2)CC[C@@H]1N(C(=O)c1ccco1)c1ccccc1Cl 26729088 AUFUBWNAAOCRHM-UGKGYDQZSA-N 422.956 5.533 0 1 HKAF NC(=O)c1cnc2cc(-c3ccc(C(F)(F)F)cc3)ccc2c1Nc1ccccc1 28959982 KGILQDBAQIPZBT-UHFFFAOYSA-N 407.395 5.763 0 1 HKAF COc1ccc(CN2CCN(Cc3ccc(OC)cc3)C2c2ccccc2Cl)cc1 29132081 RHROOZPSXCFWQD-UHFFFAOYSA-N 422.956 5.374 0 1 HKAF C[C@H]1CC[C@H]2C(C)(C)CCC[C@]23Oc2ccc(OC(=S)N(C)C)cc2C[C@]13C 33814518 DRTPUUQCYHYPIT-FOEAQLGISA-N 401.616 5.848 0 1 HKAF C[C@H](CNCCCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 35050541 JVCKCYKRSUUGRH-LXVLQKCJSA-N 417.634 5.017 0 1 HKAF O=C(O)c1ccc(-c2ccc(Cl)c(C(=O)NCC34CC5CC(CC(C5)C3)C4)c2)cc1 38253775 XSLRDELRVIJSAN-UHFFFAOYSA-N 423.940 5.651 0 1 HKAF O=C1O[C@@H](O)C(c2cccc(-c3ccc(Oc4ccccc4)cc3)c2)=C1Br 40950419 PKQHZMFMGYLCJA-OAQYLSRUSA-N 423.262 5.127 0 1 HKAF Cc1cc(-c2nccs2)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 43067429 ZTDVUXHFASSXCX-UHFFFAOYSA-N 402.306 5.948 0 1 HKAF C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O)C[C@@H]1O 43883858 HKXBNHCUPKIYDM-MYVUTAQISA-N 412.658 6.612 0 1 HKAF O=C(O)Cc1sc(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1cccnc1 45336033 SDBCLPYRXJSZPH-UHFFFAOYSA-N 422.456 5.291 0 1 HKAF CSc1ccc(N2CCC(N[C@H](c3ccc(Cl)cc3)c3cccnc3)CC2)cc1 72102477 IKJFKYHRADSSHV-XMMPIXPASA-N 424.013 5.805 0 1 HKAF CC(C)=CCC/C(C)=C/CN1CCC(CN2CCC(Cc3ccccc3)CC2)CC1 72181303 VOAHKBMMJAIKBI-BRJLIKDPSA-N 408.674 6.346 0 1 HKAF Cc1cn(-c2ccc(Nc3nc4c(s3)CCC[C@@H]4c3ccccc3)cc2Cl)cn1 73161976 PFQWGJQJDPLXOG-GOSISDBHSA-N 420.969 6.502 0 1 HKAF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NCc3ccccc3)nc2-c2ccc(F)cc2)C1 82141046 OZPDWGYWQQSGBR-QZTJIDSGSA-N 418.516 5.013 0 1 HKAF CCCc1nc2c(NCc3cccc(C(F)(F)F)c3)ncnc2n1C[C@@H](C)CC 82179023 ROSYCHRZFCQYSK-AWEZNQCLSA-N 405.468 5.456 0 1 HKAF CC1(C)CC[C@@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 100881161 LIIFBMGUDSHTOU-IGEZCCIJSA-N 424.713 8.377 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(-c4ccc(SC)cc4)s1)CN32 100969838 DKEAXYAQHUXDHX-YTKDQJLFSA-N 411.592 5.176 0 1 HKAF O=c1cc(-c2cccc3c2Sc2ccccc2S3)sc(N2CCOCC2)c1 101074905 QBJPENNTKVCZIW-UHFFFAOYSA-N 411.573 5.228 0 1 HKAF C[C@H]1[C@H]2[C@@H]3OC[C@@]1(COC(=O)Nc1ccccc1)[C@H](C)C[C@@]2(C)Oc1ccccc13 103184516 UONFBIWUOHBYQS-RPHKZYAHSA-N 407.510 5.436 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2cccnc2)C[C@@H](c2ccc3c(c2)OCO3)C1 103998798 WPXIGLRUJWWBDD-NSYGIPOTSA-N 411.461 5.439 0 1 HKAF Oc1csc(N2N=C(c3ccc(Cl)c(Cl)c3)C[C@@H]2c2ccccc2Cl)n1 169728212 KHQQBAJNAUJGPT-MRXNPFEDSA-N 424.740 6.165 0 1 HKAF CCC[C@H]1CC(=O)[C@H]2C(=NC(C)=C(C(=O)OC)[C@@H]2c2ccc(-c3ccccc3)cc2)C1 169728290 DRYQKAWCIABIBK-YKQNXRHISA-N 415.533 5.734 0 1 HKAF CC(=O)[C@]12CCCC[C@H]1C[C@H]1[C@@H]3C[C@@H](C)[C@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 195208990 YYJQALYDDZZWSF-HGBOMSPASA-N 400.603 5.335 0 1 HKAF CS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@@H]2c2cccc3ccccc23)cc1 299839442 RRRXFUYNAICAAP-LJQANCHMSA-N 418.440 5.113 0 1 HKAF Cc1nc(-c2ccccc2)sc1CNc1ccnc(N(CC(C)C)CC(C)C)n1 299866508 VZTIKXKLZGTUKO-UHFFFAOYSA-N 409.603 5.639 0 1 HKAF CCOC(=O)Cc1ccc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c2c1 587003437 JXZDIUKKESTKIU-UHFFFAOYSA-N 413.271 5.153 0 1 HKAF FC(F)(F)c1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1Cl 587004300 SRCCEGFTMGUHGJ-UHFFFAOYSA-N 415.600 5.541 0 1 HKAF Oc1nc2cc3nc(-c4csc(-c5cccc(Cl)c5Cl)n4)[nH]c3cc2[nH]1 587015561 PSKAHYHKZAKOEC-UHFFFAOYSA-N 402.266 5.242 0 1 HKAF COc1cncc2[nH]c(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCC4)nc12 587031260 PVWZDRAMUUBXQY-UHFFFAOYSA-N 424.913 5.089 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc3c(cc2[nH]1)OCCO3 587072690 UWLHHWGHGPASCT-AUGGYFOLSA-N 415.320 6.007 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cncc(Cl)c4[nH]3)c(Cl)cc12 587078691 ZQCRHEAFLHDDJE-SNVBAGLBSA-N 418.280 5.464 0 1 HKAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587080557 QJDBRMCFQXIHBR-IBGZPJMESA-N 402.885 5.732 0 1 HKAF CC(C)Oc1ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2c1 587091321 INSGGULGDVKXDN-UHFFFAOYSA-N 419.325 5.372 0 1 HKAF Cc1cc(Br)c2[nH]c([C@@H](Nc3ccccc3)c3ccccc3F)nc2c1 587152000 JJFFRTKZYHRKKZ-IBGZPJMESA-N 410.290 5.974 0 1 HKAF Fc1c(Cl)cc2nc(/C=C\c3cccc(I)c3)[nH]c2c1F 587183964 MJQGTRVBDBJNLY-PLNGDYQASA-N 416.596 5.270 0 1 HKAF Cn1c(C(F)(F)F)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332581 STIRFWSDEDQRHV-TZIWHRDSSA-N 419.374 5.163 0 1 HKAF Nc1ccccc1[C@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335473 LUCDQRXUGZWFAR-AHWVRZQESA-N 417.480 5.558 0 1 HKAF C[C@@]1(c2nc3ccc(Cl)cc3[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336479 YLTRODZQFFIGSX-NFBKMPQASA-N 422.843 5.335 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3cccc(Br)c3)cc1)O2 587374352 XDHMVLNVCVRLLY-OAQYLSRUSA-N 424.294 5.839 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3cccc(C(F)(F)F)c3)o1)O2 587381692 JSPLHQAUUAUBPZ-FQEVSTJZSA-N 417.383 5.475 0 1 HKAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cccc(C)c1 587399424 JUKWLGVBJZKHHF-QHCPKHFHSA-N 403.478 5.180 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1[C@@H](CC(C)C)C(=O)OCC)CC2=O 587469311 CNYSTOKKXFXSAO-SIKLNZKXSA-N 413.514 5.003 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(C=C(c3ccccc3)Oc3cc(O)ccc31)CC2=O 587484503 GPRKGXHJXGLCEF-SANMLTNESA-N 414.457 5.345 0 1 HKAF COc1cc(Cl)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC(C)C 587503358 UFFOBSRUAAMVKN-FQEVSTJZSA-N 400.902 5.721 0 1 HKAF CC(C)(C)OC(=O)N1Cc2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C1 587518540 KUVUKLAOWZXXJJ-HSZRJFAPSA-N 419.521 5.523 0 1 HKAF C[C@@]1(c2cccc(-c3ccc(C(=O)O)cc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587530467 VITIAACYJOGQNC-MHZLTWQESA-N 412.485 5.811 0 1 HKAF CC[C@@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557746 SRKFVFRBPKMNIW-CVDCTZTESA-N 412.388 5.261 0 1 HKAF CC[C@]1(c2ccc([C@@H](C)OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592395 GWPWQUGEWPWTRT-XJDRPFMISA-N 404.462 5.367 0 1 HKAF CC(C)[C@@H]1CCc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587601995 GNPJMMPZRITPDG-RQADYFSKSA-N 400.474 5.468 0 1 HKAF C[C@@H]1C[C@H](c2ccccc2)C[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604136 ROLADEAPQTZMSV-ZJIQKZQBSA-N 400.474 5.696 0 1 HKAF CC(C)CCCCCCCCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604385 WDHDIMXXERCFAF-UKILVPOCSA-N 424.581 7.279 0 1 HKAF Fc1ccc2c(-c3ccc4ccccc4n3)c(-c3ccc(C(F)(F)F)cc3)[nH]c2c1 587634451 ZJDFLHNUUQGJFB-UHFFFAOYSA-N 406.382 7.208 0 1 HKAF COc1ccc(C)c2sc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nc12 587662142 VFUGLNVBCKKTLG-UHFFFAOYSA-N 417.465 5.119 0 1 HKAF COc1cc(Cl)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 587692717 LNYHOTIAKVRZDK-CQLKUDPESA-N 419.121 5.527 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Cl)(C2CCCC2)N1 587693892 FXDMNEKZAZOMHQ-LRTDBIEQSA-N 422.769 6.210 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2cccc(Cl)c2)N1 587704143 SMOHUKMXFMUFHD-OVWNDWIMSA-N 420.713 5.255 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(-c3cccs3)c2)N1 587722282 XXJLPNBJPZXOBG-GIPWTMENSA-N 420.322 6.079 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)cc2N2CCCC2)N1 587726453 IQLWASWZMVLDJF-LRTDBIEQSA-N 421.329 5.125 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccccn2)N1 587770425 JMRBUMOHTAJAEV-IVZQSRNASA-N 411.318 5.004 0 1 HKAF CCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587794610 OXUSQDDSOZHGNJ-ODXCJYRJSA-N 408.311 5.009 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SC(C)(C)C)cc2)N1 587841096 PKISZEXCUWINJN-CWTRNNRKSA-N 408.380 6.102 0 1 HKAF Cc1nn2c(=O)cc(-c3ccc(C(F)(F)F)cc3)[nH]c2c1Cc1ccc(Cl)cc1 653669529 BQHRCRKIQNFUHX-UHFFFAOYSA-N 417.818 5.261 0 1 HKAF Cc1ccccc1[C@@]1(C[C@@H](C)CC(=O)O)c2ccsc2CCN1Cc1cccn1C 962376821 QVYZSIDDGLDBMY-BVZFJXPGSA-N 422.594 5.198 0 1 HKAF Clc1ccccc1C1([C@@H]2NCCc3cc(-c4ccccc4)ccc32)CCOCC1 962672977 ZCYJFPNCKZYONO-RUZDIDTESA-N 403.953 5.942 0 1 HKAF C[C@@]1(c2cc(F)ccc2F)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963816513 CVKVDFSOJQSPCW-VWLOTQADSA-N 404.460 5.434 0 1 HKAF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)[C@@H](C)C2CCCCC2)C(=O)OC)cc1 1772576029 PCKSWTKHTHJUTP-KGVIQGDOSA-N 403.563 5.048 0 1 HKAF Oc1cccc(-c2cc(-c3cccc(C(F)(F)F)c3)nc3c2Cc2cc(O)ccc2-3)c1 1857541759 INUNMNKMULBWLA-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF Cc1cc(N2CCCCC2)nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc12 1857744355 VYMLGSQMCBXVFD-UHFFFAOYSA-N 414.336 6.093 0 1 HKAF C[C@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(F)cc1)c1ccc2c(c1)CCC2 1911576598 QDVRQTYAHCQVMP-KRWDZBQOSA-N 419.544 5.218 0 1 HKAF C[C@@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1ccccc1)c1ccc2c(c1)CCC2 1911579504 INYNPERWFJZWOT-GOSISDBHSA-N 401.554 5.078 0 1 HKAF CC(C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4[C@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@@]3(C)CC[C@]12C 2356357573 JSAWQLUFWWPQST-UPRUTUIFSA-N 412.702 7.635 0 1 HKAF CO[C@@H]1OC[C@@]23CCC[C@@]1(C)[C@@H]2CC[C@]1(C)[C@@H]2Cc4ccccc4O[C@]2(C)CC[C@H]13 2356564232 VYTRYBMUYJDNIN-UXBRPGBTSA-N 410.598 6.002 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C 2356642756 SLDFVIVETHDYGI-ROSDSBEFSA-N 410.686 7.721 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CCC2=C3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356677753 XMCGXKSKUMSGOT-INTLFBSSSA-N 400.647 6.280 0 1 HKAF c1ccc(-c2nc(SCc3nc4ccccc4[nH]3)c3oc4ccccc4c3n2)cc1 36380934 DSDLPJLJZNMHPT-UHFFFAOYSA-N 408.486 6.212 0 3 HKAF CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215194 MNWFCGYYUOPBCQ-IMNFJDCFSA-N 416.606 5.347 0 1 HKAF CC[C@@H](Cc1ccc(OC)c(C(=O)CCc2ccc(C(F)(F)F)cc2)c1)C(=O)O 12358315 SXPBKUBQICKJQP-INIZCTEOSA-N 408.416 5.183 0 1 HKAF O=C(O)COc1cccc2c(CSC(c3ccccc3)c3ccccc3)coc12 13671534 MQGMBRDDRNNGSI-UHFFFAOYSA-N 404.487 5.919 0 1 HKAF Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCO[C@@H](C)C1 13742568 NRKLXGGYHAGGCK-IBGZPJMESA-N 412.533 5.055 0 1 HKAF CCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](CC)c1ccccc1 13795655 NBTRKUWYJXBILO-XMMPIXPASA-N 408.545 6.735 0 1 HKAF O=C(c1ncc(-c2c[nH]c3ccccc23)[nH]1)c1c[nH]c2cc(Br)ccc12 14768203 BEDNSRVQPOJNPU-UHFFFAOYSA-N 405.255 5.033 0 1 HKAF biogenic CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CCC1=CC[C@@H](C2=CC(=O)O[C@@H]2O)OC1 14917777 WBDQPITVPUAHAN-NIXKNSRYSA-N 400.559 5.082 0 1 HKAF biogenic CCC(=C(c1cccc(OC(C)=O)c1)c1cccc(OC(C)=O)c1)c1ccccc1 26016674 JAPHTGCMVDACOL-UHFFFAOYSA-N 400.474 5.906 0 1 HKAF C[C@]12Cc3cn4c(nc3C[C@@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12)nc1ccccc14 27204809 GIQHGRUKLUVHHK-JFIUESMISA-N 415.581 5.201 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/[P@](=O)(O)C(F)(F)P(=O)(O)O 29487500 JXIKSHCUUJHPPK-YKXWRRLFSA-N 412.350 5.918 0 1 HKAF O=C(O)c1ccccc1Nc1ccc(CCCc2cccc(Br)c2)cc1 40936724 QELAEZQQMGDIAN-UHFFFAOYSA-N 410.311 6.066 0 1 HKAF CCCCNCCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 45301768 RYLVPLVGTISLCJ-UHFFFAOYSA-N 411.549 6.179 0 1 HKAF CC[C@@H](C)c1ccc(Nc2nc(C)cc(N(CC)CCCN3CCCCC3)n2)cc1 45337556 RKYUQHJPDKHGFC-HXUWFJFHSA-N 409.622 5.744 0 1 HKAF CC(C)NC(=O)Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21 45368391 RSNMZMOESIRLTI-UHFFFAOYSA-N 408.498 5.172 0 1 HKAF Cc1ccsc1C(=CCCN[C@@H]1CCCc2onc(O)c21)c1sccc1C 66258921 TYXWOLAOXRISSO-MRXNPFEDSA-N 400.569 5.609 0 1 HKAF in-vitro C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccccc1 82132287 FHCLEZOICRFFPD-AVRDEDQJSA-N 406.574 5.444 0 1 HKAF COc1ccc(-c2csc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccco3)n2)cc1 84757481 GVQIBBZBIIFTLM-NRFANRHFSA-N 419.481 5.907 0 1 HKAF CCC(=O)N1CCc2cc(-c3csc(NC(=O)c4ccc(Cl)cc4)n3)ccc21 95755417 HBSDGADRQHXNFW-UHFFFAOYSA-N 411.914 5.015 0 1 HKAF CCCCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1cccnc1 100703618 AAJNXUSVXWKSOL-MRXNPFEDSA-N 410.543 5.320 0 1 HKAF CC1(C)[C@@H]2CC=C(CCN3CCC(NC(=O)Nc4ccc5ccccc5c4)CC3)[C@@H]1C2 101104758 ZWEFOCKTWYGPJI-RDGATRHJSA-N 417.597 5.808 0 1 HKAF CCN(CC)CCCCOc1ccc2c(=O)cc(-c3ccc(N(C)C)cc3)oc2c1 103241423 JVOIGPRZOONFAU-UHFFFAOYSA-N 408.542 5.027 0 1 HKAF CC(=O)Nc1ccc(OC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 103286887 VBMHZBNAOQZRKN-UHFFFAOYSA-N 411.461 5.025 0 1 HKAF COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OC[C@H]1CCCO1 114820893 QNPKKOXYJDZPQK-CYBMUJFWSA-N 420.296 5.247 0 1 HKAF CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCc3ccc4ccccc4c3)ccc21 114903281 COPFVBTWIUWDNY-UHFFFAOYSA-N 413.517 5.155 0 1 HKAF COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@@H]1N2CCCCCc1ccccc1 169312664 FZUMFPXNHOWEJA-NDBXHCKUSA-N 409.545 5.348 0 1 HKAF O=C(c1cnccc1C(F)(F)F)N1CCC(c2ccccc2C(F)(F)F)CC1 169349280 BYBYRQZDHHFYEK-UHFFFAOYSA-N 402.338 5.139 0 1 HKAF CSc1ccccc1[C@H]1Nc2cc(C)ccc2N=C2CC3(CCCC3)CC(=O)[C@H]21 169722056 SAJQIPOBQLKYTB-BJKOFHAPSA-N 404.579 6.496 0 1 HKAF COc1cccc(F)c1[C@H]1C[C@@H](C)C(=O)N1Cc1ccc2oc3ccccc3c2c1 215902720 NZJJLLAOHLKKIZ-FOIQADDNSA-N 403.453 5.843 0 1 HKAF CC1=C(O)/C(=C/[C@@H](C)CCC/C(C)=C/CCc2cocc2Cc2ccoc2)OC1=O 238775913 NVFQZZXKGDYENB-DWBNJQNPSA-N 410.510 6.421 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3 255273872 VSGFTONSNLGNKU-IVTUFOORSA-N 412.702 7.801 0 1 HKAF Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ncc(C2CC2)cc1O 473099449 GNTCOOLDKOUZCG-UHFFFAOYSA-N 401.413 5.016 0 1 HKAF CC/C(=C(/CC)c1ccc(OCCCCO)cc1)c1ccc(OCCCCO)cc1 473152180 SKTBQRJLXLZPFK-OCEACIFDSA-N 412.570 5.720 0 1 HKAF CC(C)COc1cc2nc(-c3ccccc3/C=C\C(=O)O)[nH]c2cc1Br 586880941 DKAGTUQPUSHCEU-FPLPWBNLSA-N 415.287 5.125 0 1 HKAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(C)cc(C)c4[nH]3)c(=O)oc2c1C 586917115 FCMVCQTXOCYMFB-UHFFFAOYSA-N 416.521 5.839 0 1 HKAF C[C@H](SCc1ccccc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586962028 ALYGOMZTFQMSHQ-JTQLQIEISA-N 415.278 6.339 0 1 HKAF CC(C)CCOc1ccc(Br)cc1-c1nc2c(F)cnc(Cl)c2[nH]1 586982147 RZMGQZCSUCWENJ-UHFFFAOYSA-N 412.690 5.605 0 1 HKAF O=C1c2ccccc2-c2cc(Cc3ccccc3C(F)(F)F)nc3ccc(O)c1c23 586985958 IFXOHADXWKLGIQ-UHFFFAOYSA-N 405.375 5.761 0 1 HKAF Cc1cc(Br)cc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c12 586995863 KBHNFFHGVMRDAA-UHFFFAOYSA-N 424.136 5.710 0 1 HKAF Cc1cc(-c2nc3c(F)cccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587059040 LZBRSDMVEPAXRI-UHFFFAOYSA-N 405.864 5.432 0 1 HKAF COC(=O)c1cc2nc(CNc3ccccc3Cl)[nH]c2c(F)c1Nc1ccccc1 587062460 STPBJBNGUDZOGV-UHFFFAOYSA-N 424.863 5.498 0 1 HKAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587064791 GBTRUBAGRHGAKN-UHFFFAOYSA-N 419.186 5.289 0 1 HKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(Br)cc(Cl)c2[nH]1 587066949 VEZBFLHUXGOFFG-SECBINFHSA-N 400.103 6.081 0 1 HKAF C/C=C\COc1ccc(Cc2c(C)nc3c(C)ccc4c3c2-c2ccccc2C4=O)cc1 587099305 YLLYLMBGDBBHNP-PLNGDYQASA-N 419.524 6.609 0 1 HKAF COc1c(F)cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1F 587134499 HQFBFRCIGOUROD-UHFFFAOYSA-N 407.136 5.298 0 1 HKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(F)c(Br)cc3[nH]2)cc1 587158040 HPCMRMPXAAZTRL-UHFFFAOYSA-N 413.221 5.750 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cccc(Br)c2[nH]1 587190094 GONOLPXIYOOSMZ-QGZVFWFLSA-N 416.319 5.282 0 1 HKAF C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326182 BAVVMBBTTAZGNN-IRLDBZIGSA-N 416.370 5.824 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccncc2)[C@H]1c1ccc(F)cc1 587345272 ILZVNJYGMDRRKW-AHWVRZQESA-N 411.432 5.229 0 1 HKAF CCCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587347017 KMCNPYGOXGLJDS-UKILVPOCSA-N 406.453 5.594 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(C)ccc(OC)c2CC3)c1 587363774 USNOXPLPDLGHNT-UHFFFAOYSA-N 421.496 6.739 0 1 HKAF COCOc1ccccc1[C@@]1(c2ccccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587378854 RAPWZGKTMRPIPB-DEOSSOPVSA-N 423.896 5.122 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]31C)O2 587405155 UWRQKSQOEQGLQD-KYZACSFOSA-N 417.549 5.543 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](c3ccccc3)C[C@H]1C(=O)OCC)CC2=O 587482515 UDXJPIBCQCIOLD-RKVCDUFXSA-N 422.521 5.196 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](CC(=O)O)CCC[C@@H]1c1ccccc1 587491029 TXDUOLHILNWVLH-WVFSIPRWSA-N 408.494 5.107 0 1 HKAF C[C@]1(c2cc(Br)cnc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587497866 MYQUYJSCNUPYMW-LJQANCHMSA-N 406.707 5.257 0 1 HKAF CC[C@@H](C)Oc1c(Cl)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587498837 PIPJEJDNGIXTGJ-SPLOXXLWSA-N 414.929 6.111 0 1 HKAF O=C1C[C@H](c2ccccc2Oc2ccc(Cl)c(F)c2)Oc2c1ccc1c2CCCC1 587501928 GWCMDMBIIYERBG-XMMPIXPASA-N 422.883 6.857 0 1 HKAF O=C1C[C@@H](c2cccc(N3C(=O)c4ccccc4C3=O)c2)Oc2c1ccc1c2CCCC1 587517608 QUYURSDBVXEVSU-DEOSSOPVSA-N 423.468 5.073 0 1 HKAF CC[C@@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543951 DAPGXJVGKSTPJP-UGKGYDQZSA-N 414.379 5.678 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccc(Cl)cc2)on1 587552170 OAWVVSMWCYFCGQ-NZQKXSOJSA-N 419.820 5.404 0 1 HKAF Cc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601469 GJRKOWJZUFOESW-SQHAQQRYSA-N 408.453 5.606 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2O)cc1 587610101 PNXNNWFUOZTUSF-ZEQKJWHPSA-N 410.425 5.468 0 1 HKAF Cc1ccc(-c2csc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)cc1 587613769 QCBYKDXLYCYBAO-REWPJTCUSA-N 415.470 5.527 0 1 HKAF Cc1csc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1Cl 587658201 LFKHZBWVBAPTEL-UHFFFAOYSA-N 416.836 5.054 0 1 HKAF Cc1cccc(Br)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587677876 MIBPCEFTDZZLJH-DYZYQPBXSA-N 413.128 5.283 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(F)c3F)o2)N1 587725820 GJZIFXQPFMGGQN-CFMSYZGJSA-N 422.244 5.750 0 1 HKAF CCCOc1ccc2[nH]cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587802832 NWSVCIRIIZFWTJ-QKVFXAPYSA-N 417.322 5.482 0 1 HKAF CCCOc1ccc2[nH]cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587806147 VFXWVFJQRPIUOD-LAJNKCICSA-N 417.322 5.482 0 1 HKAF COc1ccc([C@H](C)[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587810456 XLKDTLRBIRBKPO-RRMDADRESA-N 422.338 5.159 0 1 HKAF C/C=C/[C@]1(C2=C(C)C=CCC2(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587816010 SIXWYVGNVTUNEC-ZYZVHPOOSA-N 404.367 6.196 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccc(-c3ccccc3)cc2)N1 587820975 RTLREPYEKLSYEZ-OPAMFIHVSA-N 424.357 6.463 0 1 HKAF Cc1cc2c(cc1C)[C@@]1(CCS2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587857630 MCUCTHRGCNCBAZ-RBZFPXEDSA-N 406.364 5.479 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccnc2c(C)ccc(Cl)c12 587861037 KMJLIRZLNPFSJT-UHFFFAOYSA-N 417.818 6.077 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)CN1CCCCCC1 587866299 JHQHBBOOZLIXSU-MRXNPFEDSA-N 423.479 5.120 0 1 HKAF CCCCOc1ccc(OCCCC)n1-c1cc(OCC)c(C(=O)O)cc1Cl 587942099 VIEJHLDDQAOEOI-UHFFFAOYSA-N 409.910 5.585 0 1 HKAF CC(C)Cc1ccc([C@H](C)C(=O)NCCCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 653779451 JUTXDMYMFUTCGU-FQEVSTJZSA-N 422.613 5.821 0 1 HKAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@](c3ccsc3)(C3CCCCC3)N12 962659016 FCXUVSSJLKCCRG-LOSJGSFVSA-N 420.578 5.219 0 1 HKAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](C=C2CCCCC2)N1C(=O)c1ccccc1 963447682 MONBJLLPLWDJJU-GOTSBHOMSA-N 414.505 5.251 0 1 HKAF COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(Cl)cc23)c(C)c1 1772598579 OLYSJPGNLDOSML-UHFFFAOYSA-N 402.881 6.125 0 1 HKAF COc1ccc(-c2cc(-c3csc(Nc4cc(Cl)cc(Cl)c4)n3)on2)cc1 1772613283 PHYCEVRSZBEPBU-UHFFFAOYSA-N 418.305 6.524 0 1 HKAF COc1cc(N=c2[nH]c(-c3ccccc3)nc3ccccc23)ccc1Br 1857603550 ICRIKLVUKBMQOC-UHFFFAOYSA-N 406.283 5.233 0 1 HKAF C[C@@H](c1cccc(F)c1)n1nnc2cnc3ccc(-c4c[nH]c5nccc-5c4)cc3c21 1857613999 ATVQADXXYYXIDQ-AWEZNQCLSA-N 408.440 5.223 0 1 HKAF CCOc1cccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c1 1857633614 AXIJPLLWCGCPLO-UHFFFAOYSA-N 418.449 5.042 0 1 HKAF O=S(=O)(c1ccc(F)cc1)C1(c2ccc(OCc3ccccc3)cc2)CCCC1 1911582593 IXMWLTXJOWOLAW-UHFFFAOYSA-N 410.510 5.648 0 1 HKAF C[C@H]1CCC([C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)=NC1 2356483596 QAGPPGDCPAPQLW-XSTWQFHMSA-N 413.646 5.692 0 1 HKAF CO[C@@H]1C=C2[C@@H](O)C[C@@H]3[C@H](CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]34)[C@@]2(C)CC1 2356765857 SIYANCUAIYPIFS-INZFWDIDSA-N 416.690 7.014 0 1 HKAF CC=C(C)C[C@H](OC(=O)c1ccc(O)c(OC)c1)[C@H]1C(C)(C)CC[C@@]1(O)C(C)C 2356843301 NKLGGRDVPJYMFG-AWRGLXIESA-N 404.547 5.106 0 1 HKAF COc1cc(Cl)ccc1O[C@]1(C)CCN(Cc2ccc(-c3ccccn3)cc2)C1 61907141 FXCBZWSOUNRSEN-XMMPIXPASA-N 408.929 5.454 0 3 HKAF Cc1ccc(Cc2c(-c3ccc(F)cc3)nc3c(Cl)cc(C(F)(F)F)cn23)cc1 95569045 RUIHYXIRRJGPNN-UHFFFAOYSA-N 418.821 6.712 0 3 HKAF CC(C)c1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 773366 LMYZZEIADLLTEI-RTWAWAEBSA-N 422.500 5.304 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1ccc(Cl)cc1)Oc1ccc(Cl)cc1-3 3828151 YXPFGIHHVMUHLF-XMMPIXPASA-N 422.355 7.750 0 1 HKAF C[C@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1)c1ccc(F)cc1 4207893 VXIZISJDKXZYAZ-GNOCETLISA-N 422.887 5.448 0 1 HKAF CCc1nc2c(-c3ccc(OC)nc3C(F)(F)F)ccnc2n1[C@@H](CC)C1CC1 13487158 BIHWAMCSLDLLTO-HNNXBMFYSA-N 404.436 5.444 0 1 HKAF O=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1-c1ccccc1 13679978 MYGHRPCNCRNXCV-UHFFFAOYSA-N 424.588 5.454 0 1 HKAF c1ccc(CN2CCC(NCCOC(c3ccccc3)c3ccccc3)CC2)cc1 13803938 PSNHNKLTGOOICN-UHFFFAOYSA-N 400.566 5.047 0 1 HKAF C/C(=C\CC/C(C)=C/COC(=O)/C=C/C(=O)O)CC/C=C(\C)CC/C=C(\C)C(=O)O 14654675 ZGKBVLVSZSECNY-PAUNICHOSA-N 418.530 5.381 0 1 HKAF Cc1nnc2n1-c1ccccc1C(c1ccccc1F)=N[C@H]2Cc1c[nH]c2ccccc12 28240190 VKMJGKFQKLVODR-QHCPKHFHSA-N 421.479 5.331 0 1 HKAF COc1ccc(Nc2nnc(-c3cc(-c4ccc(F)cc4F)ccc3O)s2)cc1 28712845 BTZMGVBJLYEXHH-UHFFFAOYSA-N 411.433 5.608 0 1 HKAF COc1ccc(OCCC[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 33493850 LPKGZNSPYVYLGM-INIZCTEOSA-N 405.325 5.842 0 1 HKAF C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C(C)C)C[C@@H](O)C[C@@H]1O 33820647 UBJWUTCRXGEEAN-OPPMWEQISA-N 414.630 5.337 0 1 HKAF COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@H]2CC[C@@H]1N2CCCCCc1ccccc1 36093298 FZUMFPXNHOWEJA-NGSHPTGOSA-N 409.545 5.348 0 1 HKAF CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1 40974190 BOMNPQYWOQZREH-UHFFFAOYSA-N 410.561 6.447 0 1 HKAF O=C(Nc1ccc(-c2ccccc2)cc1)Nc1ccc2c(c1)NC(=O)/C2=C\c1ccc[nH]1 53230045 LDRYCDRIKRFDRD-HAHDFKILSA-N 420.472 5.818 0 1 HKAF COCCn1c(-c2ccc(C(C)C)cc2)nc2c(Br)ccc(OC)c21 58581618 MUNWQWHRPBVEMS-UHFFFAOYSA-N 403.320 5.244 0 1 HKAF COc1ccc(-c2ssc(=S)c2-c2cc(OC)c(OC)c(OC)c2)cc1N 59101203 OCCLXKHZWJQYGP-UHFFFAOYSA-N 421.565 5.490 0 1 HKAF CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 64637929 DOZIYCILMYHUHW-KRWDZBQOSA-N 407.297 5.298 0 1 HKAF COc1ccccc1Nc1nc2cc(C(N)=O)ccc2n1Cc1cccc2ccccc12 82191406 WGCLUPOQJPOAQN-UHFFFAOYSA-N 422.488 5.089 0 1 HKAF CCCC[C@H](O)[C@H](O)/C=C/C(=C/CCCCCCCC(=O)O)Cc1cccc(O)c1 85490945 ATAJQQPGGBYETR-FGGPWGDWSA-N 418.574 5.145 0 1 HKAF biogenic,in-vitro CC(C)C(=O)O[C@H]1C=C2C(=O)O[C@@H](c3ccoc3)C[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12 85695711 YICWDSWOFGXBBN-PNULUVANSA-N 400.515 5.224 0 1 HKAF O=C(O)c1ccc([C@H](c2ccc(Nc3nc4ccccc4o3)cc2)n2ccnc2)cc1 87612857 MPCTUARKBAIYDX-JOCHJYFZSA-N 410.433 5.104 0 1 HKAF Cc1nc(-c2ccccc2)sc1[C@@H]1SCC(=O)N1c1ccc(F)c(Cl)c1 95560074 ISFJHLCRHNMGPB-IBGZPJMESA-N 404.919 5.690 0 1 HKAF Cc1sc(C(=O)CCc2ccc(OCCO)cc2Cl)c2c1[C@H]1[C@@H](C2)C1(C)C 103234962 AARLLBMOTZFNIP-OXQOHEQNSA-N 404.959 5.192 0 1 HKAF CC1=C(O)/C(=C\[C@@H](C)CCC/C(C)=C/CCc2coc(Cc3ccoc3)c2)OC1=O 106563914 GOKZWKYAKOVREM-BUBJVMOUSA-N 410.510 6.421 0 1 HKAF Clc1ccc(C23CCN(CC2)Cc2cc(OCCCc4ccncc4)ccc23)cc1 114350047 RTZINNBUTTZVCY-UHFFFAOYSA-N 418.968 5.642 0 1 HKAF Clc1ccc(C23CCN(CC2)Cc2cc(-c4cnc5ccccc5n4)ccc23)cc1 114350225 UAJXVGMIEPUGSN-UHFFFAOYSA-N 411.936 5.846 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)/C=C/C(C)C)C1 136048477 HJWVRQICRBWPME-MWEJLGRKSA-N 412.658 7.345 0 1 HKAF CC(C)=CC[C@H]1C(=O)c2c(O)cc3c(c2O[C@H]1c1ccc(O)cc1O)C=CC(C)(C)O3 138699898 QSQBJRRFAIOANT-SBUREZEXSA-N 422.477 5.277 0 1 HKAF COc1ccc(Cn2c(-c3ccccc3)c(Cc3ccccc3)c(=O)[nH]c2=S)cc1 169321943 HQLGETWHXMZEGS-UHFFFAOYSA-N 414.530 5.221 0 1 HKAF Cc1cc(C(=O)Nc2cccc3cccnc23)ccc1-n1c(O)c2c(c1O)[C@H]1C=C[C@@H]2C1 169721996 XQXGLIIGFWWYSL-CALCHBBNSA-N 423.472 5.138 0 1 HKAF COc1ccc([C@H]2CC(c3ccc(Cl)c(Cl)c3)=NN2c2nc(O)cs2)cc1 169728185 HDQSJHOEXWRDTA-QGZVFWFLSA-N 420.321 5.520 0 1 HKAF Cc1ccc(Nc2cc(-c3ccccc3)nc(SCc3nc4ccccc4[nH]3)n2)cc1 215302712 ZYLQGAHOHTXQRN-UHFFFAOYSA-N 423.545 6.364 0 1 HKAF CCCCCCC(C)(C)/C=C\C/C=C\C/C=C/C/C=C\CC[C@H](C)C(=O)NCCF 231934529 GNIZQTFYBNNAMS-RLTCOMHOSA-N 419.669 7.880 0 1 HKAF CC[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(-c2ccccc2)nc2ccc(OC)cc12 253951431 VDHJBPQFAPAQBH-FMGDEVFLSA-N 402.538 5.064 0 1 HKAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3ccc4ccncc4c3)=CC[C@@H]12 299826984 OBFICUMZUQBRFB-DOCBIHDTSA-N 411.545 6.499 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ncc(Br)cc3F)nc3ccc(O)c1c23 586987300 CSNBFMMLUYBIEI-UHFFFAOYSA-N 421.225 5.115 0 1 HKAF Brc1cnc2c(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)cnn2c1 587009305 ZNBBPZBOPNAJHM-UHFFFAOYSA-N 422.311 5.186 0 1 HKAF COc1ccc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c2n1 587040328 YJYCSOQCTAACSW-UHFFFAOYSA-N 419.535 5.239 0 1 HKAF Clc1ccc(-c2cc(-c3nc4cc(Br)cnc4[nH]3)ccc2Cl)cc1 587048857 ZLBZZEXXAZDGAP-UHFFFAOYSA-N 419.109 6.361 0 1 HKAF OCCc1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1 587057754 UPVFTBNHEOUWGG-UHFFFAOYSA-N 403.265 5.244 0 1 HKAF CCCCOc1cc2nc([C@H](O)c3ccccc3Cl)[nH]c2cc1Br 587058499 GVCJUIBLPPMYMC-QGZVFWFLSA-N 409.711 5.239 0 1 HKAF COC(=O)c1ccc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 587072766 WMHGTIIVQKMSMT-IDHPINMPSA-N 415.320 6.022 0 1 HKAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3cc(Cl)cc(Br)c3[nH]2)n1 587119067 WQODKTHIOTVGBC-UHFFFAOYSA-N 419.632 5.120 0 1 HKAF O=C(c1nc2cc(Sc3ccccc3)ccc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133220 MURJMROOSOZCLJ-UHFFFAOYSA-N 417.292 6.391 0 1 HKAF N[C@H](Cc1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccc(Br)cc1F 587142494 CMVJIDUHDDEKKI-GFCCVEGCSA-N 403.082 5.014 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1F 587148591 CKNWKLXNKBQCBE-LJQANCHMSA-N 404.338 6.028 0 1 HKAF C[C@H](Oc1ccc(F)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587169164 UWCHFFHMWPKFMQ-QMMMGPOBSA-N 403.173 5.623 0 1 HKAF O=c1c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587171243 JYDGWSSHWRUECV-UHFFFAOYSA-N 423.316 5.316 0 1 HKAF CC(C)(C)c1cccc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 587182673 NPNLTYHCQCBGDB-UHFFFAOYSA-N 410.686 5.785 0 1 HKAF Cc1ccc(NC2(c3nc4c(Cl)c(Br)cnc4[nH]3)CCCC2)cc1 587237053 LVUKCEUREPRCQC-UHFFFAOYSA-N 405.727 5.564 0 1 HKAF C[C@@]1(c2ccc(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330436 HSANPDKASVFLJP-AVRDEDQJSA-N 402.343 5.223 0 1 HKAF C[C@@]1(CCc2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357687 NXOHFZJDRUCJLT-NOZRDPDXSA-N 420.436 5.010 0 1 HKAF COC(=O)[C@H](c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C)C(C)C 587362543 JLVKMPJPVOQEAN-FQEVSTJZSA-N 403.478 5.878 0 1 HKAF CC(C)(C)[C@@]1(c2ccsc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587371788 DEUFABKYHXBKES-CVDCTZTESA-N 411.498 5.476 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccc(C(F)(F)F)c1F)O2 587381466 JIPCOTJSQADVQV-JOCHJYFZSA-N 415.386 5.644 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccccc3)nc1-c1ccccc1C)O2 587392901 XCMIMMPXBLLULV-DEOSSOPVSA-N 409.489 5.445 0 1 HKAF C[C@@]1(c2ccc(SCC(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587509187 QUTWCUBDMQCONK-NRFANRHFSA-N 406.469 6.100 0 1 HKAF COC(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 587527088 URMXDJYVHVOTSH-RUZDIDTESA-N 412.485 5.726 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccc(C(F)(F)F)cc1 587551031 XJIHPOFSSASYIG-UYAOXDASSA-N 414.379 5.374 0 1 HKAF Cc1cc(N2CCCC2)c(F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554857 FMTMMIUCYJFHNL-RCZVLFRGSA-N 419.452 5.143 0 1 HKAF C[C@@]1(c2ccccc2CCCCF)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587559168 ZGCJFMISIPKTGQ-RDGATRHJSA-N 406.453 5.561 0 1 HKAF Cc1cccc(C2(c3cccc(C)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587602688 KYSIUJCOPLAREZ-RUZDIDTESA-N 422.480 5.914 0 1 HKAF CC(C)(C)c1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587661328 XHMJUOGTYVOWRU-UHFFFAOYSA-N 400.453 5.189 0 1 HKAF CC(C)CCOc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587790034 DTMPPKKIGWHOHR-QKKBWIMNSA-N 406.339 5.637 0 1 HKAF CCOc1ccc([C@@]2(C3CC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587801133 IUKBEXVFMWPLFC-YEJXKQKISA-N 404.323 5.175 0 1 HKAF CC1=C(CC[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)CCC1 587810237 CEJSZMZOFHTSNN-QRQCRPRQSA-N 408.399 6.644 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccccc3)cc2)N1 587815653 OHLCASWRMUFLQS-NPMXOYFQSA-N 410.330 6.053 0 1 HKAF Cc1ccsc1[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587847403 XGLJAGGKPCJUGZ-LHSJRXKWSA-N 416.359 5.784 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(OC)c1F 587855635 NSEZOMVVFWQKSW-UHFFFAOYSA-N 409.244 5.092 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cl)cc1Cl 587860945 GTKLELAQHWBANU-UHFFFAOYSA-N 415.198 5.573 0 1 HKAF COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(-c2ccccc2)c1O 587941460 PCOSNWVSUXRWEO-UHFFFAOYSA-N 407.853 6.010 0 1 HKAF CC(C)CCOc1cc2[nH]c(C(=O)CCc3ccccc3)nc2cc1Br 587953672 PUNIZBRUDWEASI-UHFFFAOYSA-N 415.331 5.566 0 1 HKAF CC[C@]1(CC(=O)Oc2cccc(OC)c2)c2ccsc2CCN1Cc1ccco1 962706335 LVQSUDIPVXNPPU-QHCPKHFHSA-N 411.523 5.009 0 1 HKAF c1ccc2sc(SC3=C([C@@H]4NCCc5nc6ccccn6c54)CCCC3)nc2c1 962990722 TXXJOTYCTWVQDD-NRFANRHFSA-N 418.591 5.751 0 1 HKAF C[C@]1([C@H]2CCCN(C(=O)OCc3ccccc3)C2)c2ccc(F)cc2C[C@H]2CCCN21 963111820 ROUPVESSSQOXAD-SYVJQLTCSA-N 422.544 5.110 0 1 HKAF Cc1cc(Cl)ccc1[C@]1(C)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963185632 RUOJUCRGRMXPLA-WMZOPIPTSA-N 418.242 5.183 0 1 HKAF C[C@H](c1ccc(F)cc1)n1nnc2cnc3ccc(-c4c[nH]c5nccc-5c4)cc3c21 1857573516 MTXBWEKFXFBUHY-CQSZACIVSA-N 408.440 5.223 0 1 HKAF O=C(O)[C@@H]1CN(c2nc3ccc(Cl)cc3s2)Cc2[nH]c3ccc(Cl)cc3c21 1857593173 BYJDTHPWMFKQDG-GFCCVEGCSA-N 418.305 5.273 0 1 HKAF CC(C)C[C@@H](C)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 1911586532 DEIOTHKQAGSPIY-VFNWGFHPSA-N 401.348 5.227 0 1 HKAF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 2356384893 YBXNGGUGZZCTHR-SOGJZFECSA-N 422.697 8.319 0 1 HKAF CC(C)C=CCC=C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356792139 JJDHLKGFUBGROW-AXYOXNHISA-N 410.686 7.721 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CC[C@]1(C)C2=CCC[C@H](C)[C@]2(C)CC[C@H]1C 2356842688 MXGORNADMFGTNH-RXJAJXMTSA-N 423.649 5.798 0 1 HKAF COc1cccc(-c2sc3ccccc3c2-c2ccc(OCCN(C)C)cc2)c1 61947942 GLBKTSMZCIBQGM-UHFFFAOYSA-N 403.547 6.184 0 3 HKAF Cc1ccc(NC(=O)O[C@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2[C@H]3Cc2ccccc2)cc1 263590741 MRZDBOCCOAGDRV-DLCDSXJVSA-N 404.554 5.418 0 3 HKAF CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)Oc1ccccc1)c1ccc(C(=O)OC)cc1 7992655 JWUZCPCQVZXTKY-JLRUASKGSA-N 409.526 5.909 0 1 HKAF C/C=C/[C@H](O)[C@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1nc(OC)c(OC)c(O)c1C 9307440 WFEFGXNOSOLREF-CFLFHXAXSA-N 401.547 5.067 0 1 HKAF CC1CCN(CCCCCCOc2ccc3oc(-c4ccccc4)cc(=O)c3c2)CC1 13454354 INEIYXTWSFMWAQ-UHFFFAOYSA-N 419.565 6.131 0 1 HKAF Cc1cc(C)c(NC(=O)N(Cc2cccc(-c3cc[nH]n3)c2)C2CCCC2)c(C)c1 13779997 OLAXTILXDRGITK-UHFFFAOYSA-N 402.542 5.979 0 1 HKAF C[C@@H]1C(=O)c2c([nH]c3ccc(Cl)cc3c2=O)C[C@H]1c1ccc(Cl)cc1Cl 27084080 MGDOHBDZYQVUPU-TVQRCGJNSA-N 406.696 5.647 0 1 HKAF CC(C)C[C@@H]1CN2C(=NC[C@H]2C2CCCCC2)N1[C@H](C)C12CC3CC(CC(C3)C1)C2 27210398 MAZRBQBUKHKABG-ZURZDEFYSA-N 411.678 5.942 0 1 HKAF O=C(Nc1ccccc1)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1 28648929 QHIJQKXKXDZQEW-UHFFFAOYSA-N 420.299 6.370 0 1 HKAF CS(=O)(=O)c1ccc(-c2sc(-c3ccncc3)nc2-c2ccc(F)cc2)cc1 36126948 DKAFNEJRHQVNSH-UHFFFAOYSA-N 410.495 5.082 0 1 HKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCOc1ccc(C(=O)O)cc1 39203758 SGRGPOIYMVSOAA-KMDXXIMOSA-N 418.662 8.229 0 1 HKAF C[C@H](C(=O)OCC(=O)c1ccccc1)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 39308686 QPPLHRWKCMWRRN-VDGAXYAQSA-N 422.546 5.311 0 1 HKAF COc1cc2nc(NCc3ccccc3)nc(NC3CCCCCC3)c2cc1OC 40380363 NADINGNZKHHRIK-UHFFFAOYSA-N 406.530 5.394 0 1 HKAF CC[C@]1(c2cccs2)OCC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21 42878686 UTJRUJPGOSPLLL-NRFANRHFSA-N 401.890 5.830 0 1 HKAF CC[C@@H](Cc1ccccc1)c1cc(O)c(Cc2ccc(-c3ccccc3)cc2)c(=O)o1 45231162 RYPDXRJEPLFQHT-QFIPXVFZSA-N 410.513 6.340 0 1 HKAF CCCN(C(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1)c1ccc2cc[nH]c2c1 53297940 VTUGOOXWWOIQNC-LJQANCHMSA-N 410.517 5.946 0 1 HKAF CCCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccccc1 82224563 BAICGLNHAWWLEO-LMQGHGSNSA-N 406.574 5.156 0 1 HKAF COc1ccc(OC[C@@H]2Cc3ccccc3CN2C(=O)c2cccc3ccccc23)cc1 84669494 VHTZNFJYXITWNQ-QHCPKHFHSA-N 423.512 5.495 0 1 HKAF FC(F)(F)c1ccccc1Sc1nc(C(Cl)(Cl)Cl)nc2ccccc12 84714091 HEWBFRMMUMQYMW-UHFFFAOYSA-N 423.674 6.627 0 1 HKAF Cn1cc(CCC(=O)NCc2cn(C)c3ccc(Cl)cc23)c2cc(Cl)ccc21 98082844 KQWKQRRMUUZNKI-UHFFFAOYSA-N 414.336 5.226 0 1 HKAF COc1ccc(-c2nn(-c3ccccc3)c(C)c2-c2nnc(-c3ccccc3)o2)cc1 103229687 CIPUIRAYBBDUGC-UHFFFAOYSA-N 408.461 5.573 0 1 HKAF Cc1cc(-c2cc(F)c3nnc([C@](C)(F)c4ccc5ncccc5c4)n3c2)sn1 144475075 FVLLNQSZSCOJJU-OAQYLSRUSA-N 407.449 5.082 0 1 HKAF C1=C(c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CCNC1 148290354 LNJDACCCFHHLTK-UHFFFAOYSA-N 400.507 5.604 0 1 HKAF Nc1cnc(-c2ccc(C3CCC3)c(Oc3ncccc3C(F)(F)F)c2F)cn1 224563500 GMXGFYWYHXFOSK-UHFFFAOYSA-N 404.367 5.339 0 1 HKAF N[C@H]1CCC[C@H](c2cc3c(-c4cccc(NCc5cccc(F)c5)n4)ccnc3[n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c1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc4cnccc4c3)CC[C@@H]12 299829132 YWXSWVBUWACLRN-NWSKRZCZSA-N 413.561 6.589 0 1 HKAF COc1ccc(Cl)cc1[S@](=O)c1c[nH]c2ccc(C(=O)Nc3ccccc3)cc12 299855724 FWCZTAVRUUWLBW-LJAQVGFWSA-N 424.909 5.249 0 1 HKAF O=C(Nc1cccc(F)c1)Nc1cc2ncncc2cc1OCc1ccccc1Cl 473149640 JUEQYWCJFBMUGB-UHFFFAOYSA-N 422.847 5.645 0 1 HKAF Clc1ccc2c(Nc3ccc4oc(=NCc5ccncc5)[nH]c4c3)ccnc2c1 474610025 ZFWCRZDMYUENQE-UHFFFAOYSA-N 401.857 5.202 0 1 HKAF O=Cc1ccc(OCc2occc2-c2nc3cc(Br)c(F)cc3[nH]2)cc1 586900771 MFLMQOHOOSCYRQ-UHFFFAOYSA-N 415.218 5.116 0 1 HKAF Cc1ccc(-n2ccnc2SCc2nc3ccc(Br)cc3[nH]2)c(C)c1 586966781 RLXMFQGWMXVYMK-UHFFFAOYSA-N 413.344 5.420 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c(C)ccc(C)c3[nH]2)c1C=O 586968102 MSJPDCJQQQITMJ-UHFFFAOYSA-N 424.957 5.491 0 1 HKAF CCOc1cc(/C=C\c2nc3ccc(Cl)c(C)c3[nH]2)cc(Br)c1OC 586978086 LGISIPFXMWPXPM-YVMONPNESA-N 421.722 5.865 0 1 HKAF CC(=O)N[C@@H](Cc1nc2cccc(C(C)(C)C)c2[nH]1)c1ccc(Br)cc1 586984177 CMCWAHYLONXWCP-SFHVURJKSA-N 414.347 5.043 0 1 HKAF CC(C)(C)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2n1 587027159 PVMHIGHZDLBMOM-NEWSRXKRSA-N 422.598 5.392 0 1 HKAF Cc1ccc2[nH]c(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCC4)nc2c1 587032144 ZHWXFYPRKALNPV-UHFFFAOYSA-N 407.926 5.994 0 1 HKAF FC(F)(F)c1ccc(-c2nc3ccc(Br)cc3[nH]2)c(C(F)(F)F)c1 587094542 BHGWMLUKIXOHGW-UHFFFAOYSA-N 409.127 6.030 0 1 HKAF COC(=O)c1cc2[nH]c(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc2cc1OC 587095055 OMYCHRJOXSDYMK-UHFFFAOYSA-N 418.293 5.063 0 1 HKAF C[C@H](c1nc2c(F)cnc(Cl)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129819 LOVGKTGWWRXJSN-GSVOUGTGSA-N 400.138 5.085 0 1 HKAF CC(C)(C)c1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2n1 587166000 KVPTYSCOSMSZQL-UHFFFAOYSA-N 405.502 5.362 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](c1nc2cccc(OCc3ccccc3)c2[nH]1)C1CCCC1 587227553 ZQYGSHZYHWPKLE-OAQYLSRUSA-N 421.541 5.898 0 1 HKAF Cc1cc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2cc1Br 587247100 GTYVJOZTIYKVLA-UHFFFAOYSA-N 422.326 6.049 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCc3ccc(Cl)cc3C2)[C@H]1c1ccc(F)cc1 587326469 BVOPYFCWTZSZEN-UPVQGACJSA-N 408.856 5.471 0 1 HKAF C[C@]1(c2c(Cl)ccnc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327705 HDHKBAKCXYDXJF-UTKZUKDTSA-N 418.251 5.507 0 1 HKAF COc1ccc2[nH]cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2c1 587349558 VEICCEKKYODATR-ZCYQVOJMSA-N 417.436 5.296 0 1 HKAF Cc1ccc2c(c1)[C@@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356327 JIEPFEPLRDVJHX-ILBGXUMGSA-N 404.437 5.267 0 1 HKAF CCc1ccc2c(c1)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359325 RJHDIDSAFBGAJJ-ILBGXUMGSA-N 404.437 5.131 0 1 HKAF COc1cccc(-c2cc(-c3c[nH]c4ccc(Cl)cc34)nc3c2oc2ccccc23)c1 587359385 GALQZQZSCCPUAZ-UHFFFAOYSA-N 424.887 7.458 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)Cc2cc(Cl)ccc2C3)c1 587361288 XJXVQBMYSGERFA-UHFFFAOYSA-N 411.888 6.805 0 1 HKAF COc1cccc(-c2cc(-c3ccc(F)c(F)c3F)nc3c2oc2ccccc23)c1 587361351 ZOXIFDRDTACGRR-UHFFFAOYSA-N 405.375 6.741 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CCCC(=O)[C@@]2(C)C3)c1 587365424 HHTCYQXMILFTJY-MHZLTWQESA-N 409.485 6.355 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1N1CCCCC1)O2 587377172 LLLGHRADDTZDEC-HXUWFJFHSA-N 415.331 5.037 0 1 HKAF CCOc1ccc([C@@]2(Cc3ccc(Cl)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587378048 MDCZMMCZVVCWEV-RUZDIDTESA-N 421.924 5.733 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(C(C)(C)C)CC2=O 587459562 YBBIUMOSYVLUDY-JOCHJYFZSA-N 417.343 6.014 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cc3ccc(Cl)nc3)cc1)CC2=O 587462496 QPIJTXSXPGRXDP-JOCHJYFZSA-N 407.897 5.690 0 1 HKAF COC(=O)C1(c2ccc(F)cc2)CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587504184 GLAJOTSUDKIELE-UHFFFAOYSA-N 422.496 5.094 0 1 HKAF CCCCc1ccc(-n2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)cc1 587516823 FCORJTNRNSTJGL-VWLOTQADSA-N 400.522 5.800 0 1 HKAF CCOC(=O)[C@@]1(c2cccc3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587525321 VEVXSENCINLLNI-SANMLTNESA-N 400.474 5.142 0 1 HKAF CC(C)(C)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587529343 ABFHIMGAECRKJB-VWLOTQADSA-N 400.518 6.829 0 1 HKAF O=C(O)CC[C@]1(c2ccccc2)CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587530397 UILOHRKMTJLSJW-RRPNLBNLSA-N 418.533 5.646 0 1 HKAF O=C1C[C@H](c2nc(-c3ccc4c(c3)OCCO4)cs2)Oc2c1ccc1c2CCCC1 587535770 OIJQATBIIZNSCZ-JOCHJYFZSA-N 419.502 5.167 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc(Cl)c1Cl 587541003 CTTWAJIVRHOAOP-JXFKEZNVSA-N 421.663 6.055 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(O)cc1Cl 587547788 UPCLCOBMGZHIAZ-FXAWDEMLSA-N 403.217 5.108 0 1 HKAF C[C@@]1(c2cc(F)c(Cl)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553999 CGLZZKSJQRZNIQ-RXVVDRJESA-N 402.780 5.201 0 1 HKAF C[C@]1(c2cccc(-c3ccncc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588278 SDMONQNDJZXWOE-JYFHCDHNSA-N 409.441 5.331 0 1 HKAF COc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(C)C 587596203 VFDUCTSCGKYSEH-RCZVLFRGSA-N 404.462 5.536 0 1 HKAF Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 587603884 SCHYZUVHWQUYIT-RPLLCQBOSA-N 408.453 6.071 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(C2CC2)oc2ccc(O)cc12 587619795 ZHTRDAPJGYLPLC-SQJMNOBHSA-N 414.413 5.424 0 1 HKAF COc1c(C)cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587694205 PCYXQPRMTQFYTR-JEOXALJRSA-N 412.730 5.356 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C(\Cl)c2ccc(Cl)cc2)N1 587694833 AQGPJYQKJFGIIJ-DYNCHHLESA-N 415.133 6.097 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2F)(C(F)(F)F)N1 587701232 CDKUBYOMKOPXEX-ABKXIKBNSA-N 406.192 5.067 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2F)N1 587726268 HSUGHJHSTGYBDO-FPTDNZKUSA-N 414.293 5.553 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C2/N(C)c3ccccc3C2(C)C)N1 587770803 REJWKFXEWXWIJM-GLDCQHFTSA-N 415.350 5.475 0 1 HKAF CCOC(=O)C[C@]1(CCCC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587793427 FBBPPPYSMHYODK-XOBRGWDASA-N 414.359 5.097 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(c2ccccc2)N1 587815288 ZTQKQGXXJRTMHN-BXKMTCNYSA-N 424.357 5.999 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2sc(C(C)(C)C)cc2N)N1 587842845 GOTRCCFXLWTPGM-OVWNDWIMSA-N 411.384 5.327 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1c(F)cc(C(F)(F)F)cc1Cl 587870528 BLPVOWQLONSBGZ-UHFFFAOYSA-N 402.750 5.888 0 1 HKAF O=C(COc1ccc(Cl)cc1Br)n1nc2cc1Oc1ccc(F)cc1-2 587871861 FJQICGSHTMDEPV-UHFFFAOYSA-N 423.625 4.930 0 1 HKAF CC(C)(C)Sc1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cn1 587923618 ATMIIRABEAOVPB-UHFFFAOYSA-N 419.597 5.134 0 1 HKAF COc1ccc(-c2ccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)c(O)c2)cc1OC 587926609 JOZRHAKAWGZIOA-UHFFFAOYSA-N 402.494 5.917 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)c2)cc1 587934586 DNLIUUHFOHUWHJ-UHFFFAOYSA-N 407.311 6.285 0 1 HKAF CCCC/C=C/c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587965815 PMTZQVIFECOSDE-WEVVVXLNSA-N 423.460 5.586 0 1 HKAF c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@@H](c1ncc(C2CCCCC2)[nH]1)C3 653730487 JXVGPGJMRYIUJF-FYYLOGMGSA-N 404.558 5.293 0 1 HKAF COc1cc2c(cc1OC)[C@]1(C=C(c3ccccc3)O2)NCCc2c1sc(C)c2C 963025688 OTHWZBPFDAUBMI-VWLOTQADSA-N 419.546 5.205 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@H]2[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2)C1 963269905 MIYGIVFYXLPCGG-SPLOXXLWSA-N 424.894 5.471 0 1 HKAF CCC[C@H](C)N1CCC(N(Cc2ccccc2)C(=O)Nc2cccc(Cl)c2)CC1 1772598545 MYNXIBZEDHDYAQ-IBGZPJMESA-N 413.993 6.027 0 1 HKAF C[C@H]1CN(C(=O)c2sc3ccccc3c2OCc2ccc(Cl)cc2)C[C@@H](C)O1 1772654136 XOLKWLSBIYDJFG-GASCZTMLSA-N 415.942 5.383 0 1 HKAF C[C@H]1CCCN(CCCCCCOc2ccc3c(c2)C(=O)C[C@H](c2ccccc2)O3)C1 1857604597 HMZBNISOSPDRAV-KDYSTLNUSA-N 421.581 6.064 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356329208 XVNFRBRLEKVOLX-DKLBUQROSA-N 412.702 8.233 0 1 HKAF CC[C@@H](C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356478781 RTLUSWHIKFIQFU-VXAIQICMSA-N 412.702 8.089 0 1 HKAF C[C@@H]1[C@H](O)CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]3CC(C)(C)CC[C@@]3(C)CC[C@@]21C 2356524752 NCQKCGSHPYPBLF-AQYAHXLYSA-N 414.718 7.859 0 1 HKAF COc1ccccc1Cc1c(-c2ccc(OC)c(OC)c2)nc2ccc(Cl)cn12 72120352 VMTYMRWKOPYSPB-UHFFFAOYSA-N 408.885 5.271 0 3 HKAF CC(C)=CCC[C@H](C)C[C@@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@@H](c2ccc(Cl)cc2)O1 95566379 AUYOLMPSHYERBZ-JNAXZKDPSA-N 418.990 5.889 0 3 HKAF CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F 4207488 ZUFXTWXMXCBQMX-MJGOQNOKSA-N 409.288 5.141 0 1 HKAF CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 4214966 FRPVYSJOQDFUBA-JWQCQUIFSA-N 420.597 6.314 0 1 HKAF Cc1cc(Nc2nc3ccc(C(=O)Nc4c(C)cccc4Cl)cc3s2)nc(C)n1 13536653 MPSLLCQEAHPHNF-UHFFFAOYSA-N 423.929 5.661 0 1 HKAF CCN(CC)C(=O)[C@@H]1Sc2c(F)cccc2-c2c1c1ccccc1n2CCF 68208457 KMVCCYAPFSUDPB-OAQYLSRUSA-N 400.494 5.432 0 1 HKAF O[C@@H]1c2ccccc2CC[C@@]1(/C=C/c1ccccc1)Cc1ccc(OC(F)(F)F)cc1 71342000 WCTHZZPZOSCLLW-ITAYUUBKSA-N 424.462 6.507 0 1 HKAF Cc1noc(NC(=O)N2CCC3(CC2)CC(c2ccccc2OC(F)(F)F)C3)c1C 73165488 XZUAOBKINSTEJO-UHFFFAOYSA-N 423.435 5.382 0 1 HKAF Clc1ccc(C2=C(c3cc(-c4ccccc4)no3)[C@H]3CC[C@H](C2)S3)cc1Cl 101388726 BLHHCJYOCBBQLB-QVKFZJNVSA-N 414.357 7.227 0 1 HKAF Cc1ccc(-c2c([C@H](CC(C)(C)C)C(=O)O)c(C)nc3sc4c(c23)CCCC4)cc1 113124390 UCCFFUAJUGIOTH-IBGZPJMESA-N 421.606 7.063 0 1 HKAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4O)no2)cc1C(F)(F)F 116109940 CBMNBDKCPFSFOE-QGZVFWFLSA-N 404.388 5.189 0 1 HKAF O=C(Nc1cc[nH]c(=O)c1)c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1 143185878 AKDINRARGVIZNO-UHFFFAOYSA-N 408.763 5.092 0 1 HKAF O[C@H](CC[C@H]1CCCCN1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 169334010 HQYLIBYURVWNMB-IAQYHMDHSA-N 406.370 5.228 0 1 HKAF CCCCN(CCCC)C[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2sccc12 169336066 HLLIZPAEFQELBK-NRFANRHFSA-N 424.437 7.297 0 1 HKAF CN[C@H](C)CCn1c(C(C)(C)C)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1C 205360156 IXIRGIJRPHFQES-CQSZACIVSA-N 409.496 5.363 0 1 HKAF COc1ccc(C=O)c2cc(-c3nc4cc(Cl)c(OC(F)(F)F)cc4[nH]3)oc12 586903284 HZNJKBGVTCLFMT-UHFFFAOYSA-N 410.735 5.349 0 1 HKAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4ccc(Cl)cc4[nH]3)c2)cc1 586930707 FYUHSXVSMRRVJV-UHFFFAOYSA-N 411.914 5.017 0 1 HKAF FC(F)(F)Sc1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 587006611 JQAMVOXCMBDMRY-UHFFFAOYSA-N 413.222 5.481 0 1 HKAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)s1 587014660 OJWGIYGAAPIBPB-MRVPVSSYSA-N 406.380 5.141 0 1 HKAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587063038 ZSBULENOFZMFLW-CQSZACIVSA-N 418.824 5.040 0 1 HKAF O=C(O)c1cccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587072370 ZSWJIXGOXALYQA-FMIVXFBMSA-N 404.853 5.664 0 1 HKAF CSc1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587073503 JRBFVOWXGUJNSD-CYVLTUHYSA-N 404.966 7.112 0 1 HKAF Cc1cc(-c2nc3cccc4c3c(c2C)-c2ccccc2C4=O)ccc1Br 587102474 URIKVPHGIVJILR-UHFFFAOYSA-N 414.302 6.493 0 1 HKAF O=C1Cc2nc3cccc4c3c(c2[C@@H](c2ccccc2Cl)C1)-c1ccccc1C4=O 587104864 XWFTWBOFHDPOEC-LJQANCHMSA-N 409.872 5.747 0 1 HKAF FC(F)(F)c1cc(Cc2nc3cccc(Br)c3[nH]2)cc(C(F)(F)F)c1 587110348 RWQZERUKROJPEW-UHFFFAOYSA-N 423.154 5.954 0 1 HKAF CCCOc1cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2cc1Br 587126467 KOVOCLIXRSKLLK-UHFFFAOYSA-N 421.257 5.054 0 1 HKAF CCOc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1I 587212381 HIJKSSUKNJOEBD-UHFFFAOYSA-N 401.247 5.004 0 1 HKAF Nc1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c2ccccc2c1 587251555 IXLITXQEQRMZOG-UHFFFAOYSA-N 406.205 5.747 0 1 HKAF C[C@]1(C(=O)c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332711 RTOGBAAEAOLMER-OFNKIYASSA-N 410.828 5.185 0 1 HKAF C[C@]1(c2cccc3c2NCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350662 SBMSBMRIUNAIFU-WIOPSUGQSA-N 403.453 5.164 0 1 HKAF COc1cccc2c1[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355702 ZJIPFYBUDCLJEL-NOZRDPDXSA-N 404.437 5.131 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(OC)ccc2CC3)c1 587361845 CPEPJBNEQWJZQN-UHFFFAOYSA-N 407.469 6.431 0 1 HKAF CCCCOC(=O)[C@@H]1CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587362080 DDWHWXOHRBOFTN-HXUWFJFHSA-N 415.489 6.030 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)/C(=C/c2ccc(C(C)(C)C)cc2)N2CCC1CC2 587394149 CXBRBSSPAXQHSD-KLKBWYFJSA-N 416.565 5.345 0 1 HKAF COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587422742 QKZCQWSQFBYFRM-SPEDKVCISA-N 402.412 5.558 0 1 HKAF COc1cc2c3c(c1)O[C@](CCSc1ccccc1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587430049 YVDGMDBMUGAWNK-SQJMNOBHSA-N 420.505 5.660 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1ccc(C(F)(F)F)cc1)CC2=O 587464355 OTNATGRBDSGBFZ-LJQANCHMSA-N 416.399 5.460 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(N3CCC[C@@H](C)C3)ccc1N)CC2=O 587476483 PBVHPLRRCNPGQM-PUAOIOHZSA-N 408.542 5.044 0 1 HKAF CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(F)(F)F 587503293 YJDRALZVSRRFLY-HXUWFJFHSA-N 420.427 5.612 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccs2)cc1 587610334 FMOUOWIYXQYUDZ-XUZZJYLKSA-N 400.455 5.824 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(Cl)c3)c(C(=O)c3cccc(Cl)c3)c2c1 587641628 NTSHQODBUDQOQM-OAHLLOKOSA-N 422.355 7.886 0 1 HKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccccc1OC(F)(F)F 587658283 JVZYMJOYYGBKFX-UHFFFAOYSA-N 400.331 5.090 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1 587693738 FEBJQZDPCCNGJP-PRWKNARSSA-N 420.709 6.125 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)(F)F)nc2Cl)N1 587712451 KRFNJZXRZNSRDQ-JKYUHCHBSA-N 423.635 5.279 0 1 HKAF CCCCCCC1(CCCCCC)N[C@H](C)Cc2ccc(F)c(Br)c21 587813700 PGEBIVRMZFSTRU-QGZVFWFLSA-N 412.431 7.259 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)-c2ccccc2C3)N1 587815681 OQLSEEOFJQSUFR-LFPIHBKWSA-N 422.341 5.957 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](c3ccccc3)c3ccccc32)N1 587817822 NKIVFXNCVPBEDC-JLCUDIMXSA-N 422.341 5.902 0 1 HKAF CCCC[C@]1([C@H]2CCOC(C)(C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 587834489 RUPQLXBLZMVDOG-IVZHQMGZSA-N 412.387 5.713 0 1 HKAF Cc1nc(-c2ccccc2)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587850981 HDUXGFSNQCOVOD-WYRIXSBYSA-N 417.347 5.644 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(C3CCCCC3)s2)N1 587855348 UYTFGISKCGEMQS-BBATYDOGSA-N 409.368 5.716 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncnc2scc(C)c12 587860737 AGUHCLRRERCUMW-UHFFFAOYSA-N 405.310 5.558 0 1 HKAF Cc1ccn(C[C@@H](C)c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)n1 587923206 VBYJBVXZSBYFBV-OAHLLOKOSA-N 416.525 6.406 0 1 HKAF COc1c(Cc2cccc3ccccc23)cc(O)n1-c1ccc(O)c(-c2ccccc2)c1 587926774 NOFVUJCOWMSIID-UHFFFAOYSA-N 421.496 6.308 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(F)cnc2[nH]1 587959284 KVNYMXUBYYLZBY-RCHUDCCISA-N 421.604 7.951 0 1 HKAF FC(F)(F)Oc1cc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2cc1Br 587959578 HBWIRAOZNMQOLI-RYUDHWBXSA-N 411.221 5.570 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c(N)ccnc2[nH]1 587959617 MOEVHHSLIQNRBH-UUQHCRCUSA-N 418.629 7.394 0 1 HKAF O=C(Nc1cccc(Cl)c1)Nc1cccc(CNc2ncnc3ccccc23)c1 653794073 GHZLXTSYEXZCIX-UHFFFAOYSA-N 403.873 5.539 0 1 HKAF CCOc1cc(C)c(-c2cccc(CNc3ccc(OCC(=O)O)cc3)c2)c(C)c1 1857577613 WLXUAGIRJMUEEW-UHFFFAOYSA-N 405.494 5.445 0 1 HKAF CC1=CC[C@]2(C(C)C)CC[C@@](C)(O2)[C@@H](OC(=O)c2ccccc2)CCC(C)=CCC1 1857627961 AKGLTDYPASAOIS-WYMJOSIYSA-N 410.598 7.033 0 1 HKAF CC1=CC[C@]2(C)CC[C@H](C(C(=O)O)C(=O)O)[C@@H]2CC=C(C)[C@H]2CC[C@@H](C)C2=CC1 2356325457 OVLRNGJHUUCIHT-WERZEZIMSA-N 400.559 5.853 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2C[C@]34CC=C5CCCC[C@]5(C)[C@@H]3[C@@H]4C[C@@]12C)C(C)C 2356616755 GAGAIBVZNQUTDY-RAELBKPWSA-N 410.730 9.054 0 1 HKAF CC1=C[C@H](CNC(=O)C2CCCCC2)[C@@H](C(C)C)C[C@H]1Cc1nc2ccc(C)cc2[nH]1 2356647350 JLYVYGVEWUYESF-YTFSRNRJSA-N 421.629 5.965 0 1 HKAF Cc1nc(NC(=O)CC(C)C)sc1-c1csc(Nc2ccc(Cl)cc2)n1 8672447 XVHMTQJPMMFDPV-UHFFFAOYSA-N 406.964 5.957 0 3 HKAF COc1ccc2[nH]cc(CCNc3cc(-c4ccccc4C(F)(F)F)ncn3)c2c1 4268426 JXHGRJGMIVLFGF-UHFFFAOYSA-N 412.415 5.307 0 1 HKAF COc1ccc(Nc2cc(C(=O)N[C@H]3CCCC[C@@H]3C)c3ccccc3n2)cc1OC 4909598 HBENYDZJTHQUQX-JXFKEZNVSA-N 419.525 5.304 0 1 HKAF CO[C@H](C1CCCCC1)[C@H](C)[C@@H](OCc1cccc(Br)c1)[C@@H](C)CO 7992070 DMJFQFIGRLPWIE-GQSCTRQFSA-N 413.396 5.194 0 1 HKAF Oc1cc(NCCCN[C@H]2CCOc3c(Cl)cc(Cl)cc32)nc2ccccc12 9131047 LDVHYSXDEADTAT-KRWDZBQOSA-N 418.324 5.163 0 1 HKAF CC(=O)c1ccc2oc([C@]3(C)CC[C@](C)(O)c4oc5ccc(C(C)=O)cc5c43)cc2c1 13305071 MLBPWTDFMXETIN-UIOOFZCWSA-N 416.473 5.892 0 1 HKAF biogenic CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(F)c1)Oc1c(F)cccc1-3 13527180 AEIHSRWGAGVPGH-XKZIYDEJSA-N 401.456 7.130 0 1 HKAF O=C1C[C@@](CCc2ccccc2)(c2ccccc2)OC(=O)[C@@H]1SCc1ccccc1 18067722 PXJUAFZQGCGBFK-RSXGOPAZSA-N 416.542 5.333 0 1 HKAF CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)NCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 25988825 XGOOAZQLCFCOSF-DPAQBDIFSA-N 401.679 6.605 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@@H]2c3ccc4cc(C(=O)O)ccc4c3CC[C@]12C)C(C)C 28005985 IDWVVOIQOHQNEX-PLXFJCCSSA-N 407.554 5.630 0 1 HKAF Nc1nccc2scc(-c3ccc(NC(=O)Nc4ccc5ccccc5c4)cc3)c12 28703855 ZLXJAJNITGVWDS-UHFFFAOYSA-N 410.502 6.343 0 1 HKAF CCOC(=O)c1ccc(NCCCCCCCCCC/C=C/c2cccs2)cc1 29203824 SYTXRFDEWPQGBG-SDNWHVSQSA-N 413.627 7.561 0 1 HKAF CC(=O)O[C@@H](CO)COC(=O)C[C@H](C)CCC1=C(C)CC[C@@H]2C(C)(C)CCC[C@@]12C 34467020 MQEDAJQYZPRNAZ-MMWWLGBPSA-N 422.606 5.203 0 1 HKAF CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2cc(-c3ccccc3)c(O)cc12 40938363 QGNJOPRXYQWPCK-UHFFFAOYSA-N 405.881 5.961 0 1 HKAF Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)Cc5c[nH]cn5)cc4)c3)nc12 45167671 HTVLMKNFBDZZNO-UHFFFAOYSA-N 407.477 5.110 0 1 HKAF Cc1ccccc1-c1nc(NC2CCCC2)ncc1-c1nc(-c2ccccc2)c(C)o1 82177100 IQVBDUWCIJTTGQ-UHFFFAOYSA-N 410.521 6.437 0 1 HKAF c1ccc(CCCNc2ncnc3c2nc(C2CCCCC2)n3C[C@@H]2CCCO2)cc1 82179915 JWCRQIZTTSBSNP-NRFANRHFSA-N 419.573 5.098 0 1 HKAF CC[C@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCc3cccs3)ncnc21 82190107 XEQHPVIENRHHNV-AWEZNQCLSA-N 411.962 5.866 0 1 HKAF Cc1cc(Cl)nc(NCCCCCCNc2ccnc3cc(Cl)ccc23)n1 84731689 VWRQBHYDPGMIFX-UHFFFAOYSA-N 404.345 5.724 0 1 HKAF Cc1nc(-c2ccc([C@H]3N(C)c4ccccc4C(=O)N3c3ccccc3)s2)cs1 95585863 MSOXPHTZRLAVFZ-QFIPXVFZSA-N 417.559 5.975 0 1 HKAF O=c1cc(-c2ccccc2)oc(O)c1[C@@H](SCc1ccccc1)c1ccccc1 100990949 GYCOXODOSHQSPJ-DEOSSOPVSA-N 400.499 6.035 0 1 HKAF CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)/C=C\CC/C=C\CCCC(=O)O 169636565 PCJNPOCWIRLPDQ-XLUPEUCOSA-N 420.722 9.209 0 1 HKAF CN(C(=O)c1ccc(Cl)cc1)c1ccc2[nH]c(-c3n[nH]c4ccccc34)cc2n1 299870469 YZBMHYSRLZDPID-UHFFFAOYSA-N 401.857 5.036 0 1 HKAF in-vivo Oc1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)n1 473155054 OOOKPENMJKOYJM-UHFFFAOYSA-N 422.459 6.388 0 1 HKAF COc1cc(/C=C/c2nc3cc(C)c(Br)cc3[nH]2)ccc1Br 586977183 OHCNEYMSWXXVAI-GQCTYLIASA-N 422.120 5.575 0 1 HKAF FC(F)(F)C(F)(F)c1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cn1 587048049 FVWMYCDCGAMUQE-YUMQZZPRSA-N 422.184 6.190 0 1 HKAF Cc1cccc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c12 587053867 HIAHNSJSYKOUNM-CQSZACIVSA-N 413.304 7.110 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(C(=O)O)cc2[nH]1 587071318 JZBHPHPBDOYSDC-SIKCBANDSA-N 401.293 5.934 0 1 HKAF FC(F)(F)Oc1cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2cc1Cl 587073507 JTQNKZXAVCCVAO-UHFFFAOYSA-N 401.215 6.043 0 1 HKAF Cc1c(-c2nc3cc(Br)c(F)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587075987 PPLJNUNSZJSCFA-UHFFFAOYSA-N 405.658 5.279 0 1 HKAF Cc1c(Br)ccc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c12 587076232 RLNJGBIHIVLZCS-UHFFFAOYSA-N 401.695 5.448 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(F)c(C)c2[nH]1 587086052 DAPATWNUSQOOKX-YFHOEESVSA-N 415.299 6.041 0 1 HKAF Cc1cc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cc1C 587088473 XIJAQDKCGHVITB-HJWRWDBZSA-N 411.336 6.210 0 1 HKAF CCc1c(-c2cc3c(cc2N)OCCO3)nc2cccc3c2c1-c1ccccc1C3=O 587105259 VIMNKNJKQPHGEO-UHFFFAOYSA-N 408.457 5.029 0 1 HKAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 587121372 AAACSIQOGGSCKR-UHFFFAOYSA-N 412.198 6.292 0 1 HKAF CCOc1cc(/C=C\c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)ccc1OC(F)F 587129189 CYUSGGGGROOHPJ-XQRVVYSFSA-N 416.321 5.891 0 1 HKAF Fc1ccc(-c2ccccc2-c2nc3ccc(Br)c(F)c3[nH]2)cc1F 587146094 ZFKHTVUWMQZDEN-UHFFFAOYSA-N 403.201 6.077 0 1 HKAF O=C(N[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccccc1 587219644 OULSNXCYGDLHTP-IBGZPJMESA-N 413.374 5.240 0 1 HKAF CC(C)[C@@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351374 GKNZNRPUCRKFJQ-AZGAKELHSA-N 404.481 5.918 0 1 HKAF COc1cccc(-c2cc(-c3nccc(Cl)c3C)nc3c2oc2ccccc23)c1 587358165 PWLQZHDNIRQZRW-UHFFFAOYSA-N 400.865 6.680 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C(C)C[C@@H]3c2ccccc2)c1 587364677 AEUUELJBKVTRLR-HSZRJFAPSA-N 417.508 7.596 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C2(CCCCC2)CCCC3)c1 587364727 BTMVJMNLJCXJFF-UHFFFAOYSA-N 411.545 7.585 0 1 HKAF Cc1nc(-c2cccc(F)c2)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587503078 KRNLHSHGBRMIPM-XMMPIXPASA-N 407.510 6.017 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1ccccc1Cl 587543548 CEPHIUNSIAOTGS-WMZHIEFXSA-N 418.836 5.139 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccs2)cc1F 587553284 GGQLWLAHIAVHSV-ZJSXRUAMSA-N 418.445 5.963 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1-c1ccc(F)cc1 587573297 VSIYJHSHCMHKCL-OFVILXPXSA-N 413.404 5.296 0 1 HKAF CCO[C@H](C)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587592848 HQIHFSGNMBEPJP-XJDRPFMISA-N 404.462 5.367 0 1 HKAF CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(C)C 587597267 QLIJJFYYBSMVOL-DHLKQENFSA-N 404.462 5.617 0 1 HKAF COc1ccc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587598863 CAIHBLALEBOTFN-RPLLCQBOSA-N 424.452 5.771 0 1 HKAF CC1(C)[C@H](OCc2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587599453 FXJQZBHUNAJQAV-XLGIIRLISA-N 416.473 5.108 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2cccs2)cs1 587610478 GDUOAHYICJGDFR-UGKGYDQZSA-N 406.484 5.885 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccn2)s1 587614500 SSDUZBHTBDSYIP-NFBKMPQASA-N 401.443 5.219 0 1 HKAF CCOC(=O)c1c(-c2cc(F)c(F)c(Cl)c2F)[nH]c2ccc(F)c(Cl)c12 587629430 PVOFOCITDXGIDE-UHFFFAOYSA-N 406.162 5.875 0 1 HKAF CCOC(=O)C(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]c2ccc([C@@H](C)CC)cc12 587643171 ZJIKFNPJEPGBFH-LBPRGKRZSA-N 418.320 6.401 0 1 HKAF O=C(Nc1ccc(Cl)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655419 GTTHWSGZNQNELH-UHFFFAOYSA-N 411.795 5.075 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2cccc(Cl)c2)N1 587701481 NLDSQJLEKIOHER-DGIBIBHMSA-N 420.713 5.255 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cnc(Cl)cc3c2)N1 587707446 VUOFPMBDYBYTAM-APBUJDDRSA-N 405.698 5.413 0 1 HKAF Cc1cc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(-n2cccn2)c1 587757658 HHRITUDVGXIUGJ-LHSJRXKWSA-N 414.322 5.014 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC3CCCCC3)nc2)N1 587768450 CXXACVDFCOGXTL-ASSNKEHSSA-N 419.338 5.318 0 1 HKAF COc1ccc([C@]2(C(C)(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587808425 NUPXEWVQBZMDKZ-ZSEKCTLFSA-N 406.339 5.421 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(-c3ccccc3)cc2)N1 587813900 QKVJQHTWTSSEEY-FYSMJZIKSA-N 424.357 6.247 0 1 HKAF Cc1cc2cc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)oc2cc1C 587831684 XWMBYACXSISDPN-ASSNKEHSSA-N 402.307 5.749 0 1 HKAF Cc1cc(Br)sc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587843673 JMHWWNQBGPVBEJ-RTHLEPHNSA-N 419.157 5.344 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2cc(Cl)ccc2cc1C 587861305 RPDVBHNOBZJFPE-UHFFFAOYSA-N 417.818 6.077 0 1 HKAF CCCCc1ccc(-c2ccc(-c3nc(-c4cc(F)ccc4F)cs3)cc2)cc1 587921955 DMTSAWQCAQGWOJ-UHFFFAOYSA-N 405.513 7.765 0 1 HKAF COc1cccc([C@H](C)Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)c1 587930506 JAMOCZBWUVOAIC-CYBMUJFWSA-N 403.320 5.467 0 1 HKAF Cc1ccc(Br)c([C@]2(C)NC3(CC3)Cc3ccc(Br)cc32)c1 961612140 FAIABSYRNIIZOG-GOSISDBHSA-N 421.176 5.462 0 1 HKAF CCNC(=O)c1cccc(-c2ccc([C@H]3N[C@@H](CC)Cc4c3[nH]c3ccccc43)cc2)c1 962946892 MDQNAMAQPLAIAX-BKMJKUGQSA-N 423.560 5.598 0 1 HKAF COc1cccc2cc3c(nc12)[C@@](c1ccc(C)c2ccccc12)(C(F)(F)F)NCC3 963035530 NIFAAQPSVVRBLM-DEOSSOPVSA-N 422.450 5.657 0 1 HKAF CCCCOc1ccc2ccccc2c1[C@H]1N[C@H](C)Cc2c(OC)ccc(OC)c21 963614882 ZNLSCKXXCSLQBR-WGDIFIGCSA-N 405.538 5.660 0 1 HKAF FC(F)(F)c1cc(Nc2ccc3ccccc3c2)c2cccc(C(F)(F)F)c2n1 1857539634 ZEPFZQBHSWYQBW-UHFFFAOYSA-N 406.329 7.169 0 1 HKAF O=C(CC(CC(=O)c1cccs1)c1ccc(Cl)cc1Cl)c1cccs1 1911581849 JLQNNHUTKZIFJB-UHFFFAOYSA-N 409.359 6.746 0 1 HKAF CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCC(=O)C(C)C)C1 2356447898 ISWCIVAWIORWPI-DTHNQABZSA-N 414.674 7.222 0 1 HKAF CC[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356797306 NTXTZXKLSHAMPH-IUNPIZAISA-N 416.646 5.250 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1C(=O)CC[C@@]2(C)[C@H]([C@H](C)C=CCC(C)C)[C@@H](O)C[C@H]12 2356807645 XYOWXSZBIWALDZ-SKNJZZIQSA-N 412.614 5.854 0 1 HKAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C]3C=CN(CCS(=O)(=O)O)C=C3CC[C@H]12 2356849054 DKETWRMWEHPURL-OHUMZHCVSA-N 406.612 5.205 0 1 HKAF CC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)Nc2ccc(C(C)C)cc2)O3)c1 61906557 NTILGHVHWVOWDI-QHCPKHFHSA-N 400.478 5.017 0 3 HKAF CN1OC[C@@H]2CN(Cc3ccccc3)[C@H](c3cccc(Oc4ccccc4)c3)C[C@@H]21 61943086 SINWPHGLUQVBAE-HRNNMHKYSA-N 400.522 5.288 0 3 HKAF CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccsc2)cc1 4051401 WFLSHUMBLNILPH-FYYLOGMGSA-N 418.562 5.454 0 1 HKAF O[C@@H](CN(Cc1cccc(Oc2ccccc2)c1)c1cccc(F)c1)C(F)(F)F 13490882 CIHVNYOIDZBRGS-NRFANRHFSA-N 405.391 5.548 0 1 HKAF C[C@H](Cc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1)C(=O)O 13554030 BWEWSCNBSSRZNC-OAQYLSRUSA-N 422.524 6.863 0 1 HKAF O=C(O)CCc1cc(Br)c(OCC2CCCCC2)c(Br)c1 13643214 UQABRPIJAIHKQN-UHFFFAOYSA-N 420.141 5.188 0 1 HKAF Cc1nc2ccccc2c(OCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c1C 13728645 MUTYGHFAUOLEIC-UHFFFAOYSA-N 407.477 5.278 0 1 HKAF CCCC(=O)Nc1cccc([C@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 13744259 HSTMXQZXKCTWOS-JOCHJYFZSA-N 409.526 5.285 0 1 HKAF C[C@@]12CCC=C[C@@H]1[C@@H](c1ccc(Br)cc1F)N(Cc1ccccc1)C2=O 13830286 VLYJICXLKPVNJX-SYYKKAFVSA-N 414.318 5.644 0 1 HKAF COc1cccc2c1-c1ccc3c(c1[C@H](c1cc(F)cc(F)c1)O2)C(C)=CC(C)(C)N3 13863763 WDWACRBIIZCRGV-VWLOTQADSA-N 419.471 6.730 0 1 HKAF CC(C)=C[C@@H](CO)/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 14691418 QTEJGXGKZMMAET-SCRMMZHNSA-N 412.614 6.812 0 1 HKAF O=C(Nc1cc(C23CC4CC(CC(C4)C2)C3)no1)Nc1cccc(Cl)c1Cl 26168486 BOHNIPLWQFCQNW-UHFFFAOYSA-N 406.313 6.093 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@](C)(C[C@@H](O)C3=CC(=O)O[C@@H]3O)CCC[C@@]21C 26961055 JSDANYFQRXTLHP-WEARJQNMSA-N 406.607 5.224 0 1 HKAF CO[C@@H]1C=Cc2ccccc2N1c1ccc(CC(=O)N(C)CCc2ccccc2)cc1 27211979 JQRTXIRGMHKNQQ-HHHXNRCGSA-N 412.533 5.068 0 1 HKAF CCOP(=O)(OCC)[C@H](CCCCCOc1ccc(OC)cc1Cl)C(C)=O 27750481 PEEDSHQHQPWGTI-LJQANCHMSA-N 420.870 5.512 0 1 HKAF Cc1noc(NCc2ccncc2)c1C(=O)Nc1ccc(Oc2ccccc2)cc1 28890122 RXWVDHALDQUGME-UHFFFAOYSA-N 400.438 5.035 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCC(=O)OC[C@H](O)CO 29045144 IDSLCYURGAOTOA-ZNKXXBOISA-N 404.591 5.585 0 1 HKAF CCCCc1ncc(/C=C(\Cc2cccnc2)C(=O)O)n1Cc1ccccc1Cl 34167919 JDBIJSAJVDISJU-CPNJWEJPSA-N 409.917 5.033 0 1 HKAF N[C@H]1CC[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 35969115 OGWFIIQUFKCEMC-OALUTQOASA-N 417.393 5.690 0 1 HKAF Cc1nc(-c2cccc(Nc3nccc(NC[C@H](O)c4ccccc4C)n3)c2)cs1 45228147 RYKKYIBJYBNSFU-NRFANRHFSA-N 417.538 5.106 0 1 HKAF Cc1cccc2nc(-c3ccc(-c4ccc(CNCCc5ccncc5)cc4)cc3)[nH]c12 45322465 VWEDXPYHIFWSCJ-UHFFFAOYSA-N 418.544 5.933 0 1 HKAF CCCc1ccc(Nc2noc3c(C(=O)Nc4cncnc4)c(Cl)ccc23)cc1 45496027 OGMTUBFKHFJFSD-UHFFFAOYSA-N 407.861 5.220 0 1 HKAF COc1ccc(OC)c(CC2c3c(Cl)cccc3C(=O)c3cccc(Cl)c32)c1 64454435 RBYILAKTGZSXCX-UHFFFAOYSA-N 413.300 5.930 0 1 HKAF O[C@@H](c1cccc(Cl)c1)c1nnc(Nc2cc(C(F)(F)F)ccc2F)s1 82078186 WKUOOTPTQBGSTO-ZDUSSCGKSA-N 403.788 5.175 0 1 HKAF CC[C@@H](C)Cn1c(C2CCCCC2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188316 WDEXNJLBZZATKS-RTBURBONSA-N 405.590 6.136 0 1 HKAF CCCCCc1nc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccco2)oc1C 82219701 YKEIOPGYQLJHTE-IAGOWNOFSA-N 408.546 5.915 0 1 HKAF COc1cc(OC)c2c(c1)O[C@@H](c1cccc(OC(=O)Nc3ccccc3)c1)CC2=O 98085463 BQNKMUZGKNECSV-HXUWFJFHSA-N 419.433 5.021 0 1 HKAF COC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@@H]1c1cccc(Oc2ccccc2)c1 103232686 ZPNSPRXLLHTERY-AREMUKBSSA-N 422.480 6.603 0 1 HKAF CC(=O)Nc1ccc(NC(=O)c2cc3c(C)nn(C4CCCCCC4)c3s2)cc1 114711437 PUEHFGCMFOVICP-UHFFFAOYSA-N 410.543 5.512 0 1 HKAF C/C(=C\[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@@H](C)C(C)C 118924013 NWPUQBNUEHLQTQ-LOSQPSJCSA-N 414.718 7.881 0 1 HKAF O=C(c1ccc(Oc2ncccc2-c2cccnc2)cc1)c1nc2ccccc2s1 144282164 WQJDYUFHEJWBDV-UHFFFAOYSA-N 409.470 5.777 0 1 HKAF FC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccco2)c1 144554010 STYGRMVBZWGQRW-UHFFFAOYSA-N 415.455 5.803 0 1 HKAF COc1cc2c(Cc3ccc4nc(C)ccc4c3)cnc(-c3ccccc3)c2cc1OC 145144554 KLRDDTBLZKCDSL-UHFFFAOYSA-N 420.512 6.366 0 1 HKAF CCCCN(CCCC)CCc1c(-c2ccccc2)sc2ccc(Cl)cc12 169319178 MDBDLLIZKHJFSZ-UHFFFAOYSA-N 400.031 7.666 0 1 HKAF C/C=C(\CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 255231865 MCWVPSBQQXUCTB-ZKQGHOCNSA-N 412.702 7.945 0 1 HKAF Cc1cc(N2CCC(NC(=O)Nc3ccc(Cl)cc3)CC2)c2cc(F)ccc2n1 299860842 HHEFHXUOBAEOPB-UHFFFAOYSA-N 412.896 5.126 0 1 HKAF CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccncc2)cc1 299860846 HHTZBSVBBYTCRF-AYRHNUGRSA-N 413.565 5.259 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](OC(=O)/C=C/c3cccc(O)c3)CCC[C@@]21C 299862249 MTATYNLKNFFCDG-XTNBYBISSA-N 412.614 6.996 0 1 HKAF CC(C)=CCC[C@]1(C)CCc2c(CCC(=O)c3ccc(O)cc3O)ccc(O)c2O1 474603980 DHMXSWFQNUAYIP-RUZDIDTESA-N 410.510 5.449 0 1 HKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc3c(cc2[nH]1)OCO3 586982500 LCQAXCRTEHTRDX-CQSZACIVSA-N 401.304 5.427 0 1 HKAF CCCCCC[C@H](C(=O)OCC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989853 RNAZMAQTRYUADY-SFHVURJKSA-N 417.505 5.769 0 1 HKAF Cc1ccc2c3c(cc(-c4c(F)cccc4C(F)(F)F)nc13)-c1ccccc1C2=O 586992983 JCNUEVGFXZGFNV-UHFFFAOYSA-N 407.366 6.580 0 1 HKAF Cc1nc(COc2cccc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c2)cs1 587020198 GZQMCTMJQIHMDN-UHFFFAOYSA-N 423.847 6.246 0 1 HKAF Oc1ccc2scc(-c3nc4cc(Br)c(Br)cc4[nH]3)c2c1 587031761 AOXKGXDVZQAIPM-UHFFFAOYSA-N 424.117 5.675 0 1 HKAF O=C(O)c1cc(F)cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c12 587060489 NTQRKNJJRUUVPC-UHFFFAOYSA-N 417.827 5.936 0 1 HKAF COc1cnc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)cc1Cl 587065085 SQQOGTVVBBGIDO-UHFFFAOYSA-N 406.589 5.068 0 1 HKAF O=C(O)c1cc(F)cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587071516 NRPVHHLKYKYKGC-TWGQIWQCSA-N 422.843 5.803 0 1 HKAF Cc1cc2[nH]c(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)nc2c(C)n1 587088118 RYIZTULZLSTIRT-CMDGGOBGSA-N 412.324 5.605 0 1 HKAF CC(C)COc1cc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2cc1Br 587090847 ZVCDEMHARFWUJL-GFCCVEGCSA-N 403.601 5.284 0 1 HKAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 587121838 MXMOIWXEPDIZTI-UHFFFAOYSA-N 413.186 5.687 0 1 HKAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2ccnc(Br)c2[nH]1 587129276 WALAZJAGVRFNRP-UHFFFAOYSA-N 407.243 5.449 0 1 HKAF Cc1cc(Cl)cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 587170174 LGULOMRKPODQRW-UHFFFAOYSA-N 421.906 5.193 0 1 HKAF O=C(c1ccc(-c2ccccc2)s1)c1c(CO)oc2cc(Br)cnc12 587275827 GJBGKNQQDGWWAM-UHFFFAOYSA-N 414.280 5.042 0 1 HKAF COc1cccc(C[C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587348043 GEPZXVYCRVPIIR-AOYPEHQESA-N 418.464 5.290 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1ccc(OC)cc1)CC2=O 587459489 DQUXTLLHWLFMCF-RUZDIDTESA-N 422.908 5.916 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cnn(-c3cc(C)ccc3C)c1C)CC2=O 587474395 DFYDFRIDEFAYEN-VWLOTQADSA-N 404.510 5.336 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C(C)(C)C)[nH]c3c(CC)cccc13)CC2=O 587488222 ZZOLAMYBFOGMIW-OAQYLSRUSA-N 405.538 6.392 0 1 HKAF O=C1C[C@@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)Oc2c1ccc1c2CCCC1 587497526 BKXFJHBKCBOHRM-DEOSSOPVSA-N 423.339 7.246 0 1 HKAF Cc1nn(C)c(Oc2cccc(Cl)c2)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501487 OKGCEIBMWDUUQN-NRFANRHFSA-N 422.912 5.760 0 1 HKAF COc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1 587508799 TWVLZZXFCQQQKU-SANMLTNESA-N 418.920 6.136 0 1 HKAF Cc1ccc(-c2nc3ncccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587516309 VWQHFEQDWMYIKM-HSZRJFAPSA-N 423.516 5.598 0 1 HKAF C[C@@]1(c2cccc(-c3ccccc3C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587528538 BGVFWJUEQCTWBD-MHZLTWQESA-N 412.485 5.811 0 1 HKAF CC1(C)Cc2ccc(Cl)cc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587552426 RNFBPZXLBFBUAG-GBXCKJPGSA-N 406.865 5.485 0 1 HKAF C[C@]1(c2ccc(OCCCF)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557376 RIOVHVLSWMNAKT-ZJSXRUAMSA-N 408.425 5.008 0 1 HKAF Cc1cccc(-n2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1C 587574475 BDGYBSSVHWMPHC-OZXSUGGESA-N 411.457 5.503 0 1 HKAF Cc1ccc([C@]2(c3cccnc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587584516 ARDVTGGOKNMZFF-JYFHCDHNSA-N 409.441 5.001 0 1 HKAF COc1ccc(C(=O)c2c(C(F)(F)C(F)(F)F)[nH]c3c(C)cc(Cl)cc23)cc1 587624093 FHJKYLQWLHDUFP-UHFFFAOYSA-N 417.761 6.023 0 1 HKAF CCCc1c(-c2ccc(Cl)c(Br)c2)[nH]c2cc(Cl)c(F)cc12 587627694 IPJBISMMTNCTDF-UHFFFAOYSA-N 401.106 6.996 0 1 HKAF CC(C)c1ccc2nc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)sc2c1 587663288 YPVWWYQTKQMCFO-UHFFFAOYSA-N 415.493 5.925 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(Cl)cc2)N1 587693928 FRFNZKAZSAONHE-FKIZINRSSA-N 419.725 5.656 0 1 HKAF Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1C(F)(F)F 587709973 DATZWRVRWZCZKJ-ZMZPIMSZSA-N 416.256 5.713 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)ccc2Cl)N1 587712305 OIQPWUDRHQFOFI-PWJLMRLQSA-N 422.647 5.884 0 1 HKAF CCCCCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587797983 WWASPVHWWOKRNS-IVZQSRNASA-N 420.366 6.171 0 1 HKAF Cc1ccc([C@@]2(c3ccco3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587827276 JFYNXCABXYWQEI-QRQCRPRQSA-N 414.318 5.624 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)OCc1ccc(OC)cc1 587859010 ATVBOSJBCJQLDU-UHFFFAOYSA-N 421.280 5.449 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(Cl)cc1C 587860901 IWUUUPKSGHODID-UHFFFAOYSA-N 424.806 5.259 0 1 HKAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587928211 YGBNBAUCQAHJGL-JTQLQIEISA-N 411.246 5.163 0 1 HKAF CC(C)(C)OC(=O)Nc1nccc(Cl)c1[C@@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963117189 XUQMXMFDIYTROW-KXBFYZLASA-N 417.912 5.331 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1cc2ccc(N(CC)CC)cc2oc1=O 963222471 BKPKRRDMPYUIOE-XHCCPWGMSA-N 418.581 5.559 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC(C)(C)C)c1ccccc1C(=O)OCC 963227667 KAZXHHCGDBHQLV-NFQMXDRXSA-N 407.598 6.200 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cc(C(F)(F)F)ncc1Br 963235322 VWZNAUGQBFRYOW-KPZWWZAWSA-N 413.281 5.609 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1cc(-c2ccc(Cl)c(Cl)c2)no1 963239061 IZVMYLVOANVASA-IQMFZBJNSA-N 415.364 6.569 0 1 HKAF O=NC=C1C=CN(CCCCCCN=c2c3c([nH]c4ccccc24)CCCC3)C=C1 1857558175 BNOOADWUFJQAOA-UHFFFAOYSA-N 402.542 5.501 0 1 HKAF O=C(O)c1ccc(-c2cc(Cl)c(Nc3ccccc3C(=O)O)c(Cl)c2)s1 1857570504 XVSRNQOQICIAGA-UHFFFAOYSA-N 408.262 5.862 0 1 HKAF O=C(NC1CCCC1)c1ccc(-c2cn3c(-c4ccc(Cl)cc4)cnc3cn2)cc1 1857588278 YYEYGQOYOYOHEO-UHFFFAOYSA-N 416.912 5.389 0 1 HKAF Cc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1ccnc(-c2cccnc2)n1 1857647549 JMRGJMCKEPRWGA-UHFFFAOYSA-N 406.514 6.305 0 1 HKAF COc1ccc(-c2c([C@H](OC(C)(C)C)C(=O)O)c(C)nc3ccccc23)cc1OC 1857648280 UJYIJGKQANOOCB-QFIPXVFZSA-N 409.482 5.168 0 1 HKAF CC(C)C[C@@H](NC(=O)OCc1ccccc1)[P@](=O)(Oc1ccccc1)C(C)(C)C 1911573220 IMUVVYBDLHYALX-LGGPFLRQSA-N 417.486 6.441 0 1 HKAF CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)CCC=C(C)[C@@H]1CC(=O)C(C)(C)O1 2356458908 VGYPZLGWVQQOST-SFHVURJKSA-N 420.933 5.224 0 1 HKAF CC1(C)[C@H](O)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](c5c[nH]c(C=O)c5)CC[C@@]4(C)C3=CC[C@@H]12 2356518392 OSIJEJSDZVRPGU-PYESJXDTSA-N 409.614 6.261 0 1 HKAF CC=C(C)[C@H](O)[C@@H](C)C=C(C)C=CCC(C)=CCc1oc(OC)c(CC)c(=O)c1C 2356652634 KARZXNDNDLSNJC-RDPSFJRHSA-N 414.586 5.864 0 1 HKAF CC(C)=CCc1c2c(c(O)c3c1OC[C@@H](c1ccc(O)cc1)C3=O)C=CC(C)(C)O2 2356697471 RIXIUERVCAGBFK-IBGZPJMESA-N 406.478 5.150 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CC[C@]1(C)C2=CCC[C@H](C)[C@]2(C)CC[C@@H]1C 2356842686 MXGORNADMFGTNH-HKDRDPIHSA-N 423.649 5.798 0 1 HKAF C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CC=C4C=C(OC5CCCC5)CC[C@@H]4[C@@H]3CC[C@@]21C 11682291 FLGJKPPXEKYCBY-NVWBJHIXSA-N 408.582 5.947 0 1 HKAF biogenic CCN(CC)c1nc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1 13794523 YAPKWALZZIDMSJ-UHFFFAOYSA-N 406.372 5.070 0 1 HKAF O=C(Nc1ccc2c(C(=O)c3ccccc3)c(O)n(O)c2c1)c1ccc2ccccc2c1 17919931 LGNVQIXVQWIJPW-UHFFFAOYSA-N 422.440 5.221 0 1 HKAF Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)cc1 28872273 IBUBOUOTEUQLEO-SANMLTNESA-N 409.533 5.024 0 1 HKAF CC(C)[C@H]1c2ccc(F)cc2CC[C@]1(O)CCN(C)CCCc1nc2ccccc2[nH]1 33974984 XTFWUNVBJAOKDW-UIOOFZCWSA-N 423.576 5.074 0 1 HKAF C[C@@](O)(CSc1ccc(N)cc1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1 34801488 ZWDNIXNZCPRJBP-QGZVFWFLSA-N 400.853 5.422 0 1 HKAF Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCCCO 36478059 NDEKKHJRNCEJJH-UHFFFAOYSA-N 414.611 5.765 0 1 HKAF CC(C)N1C[C@H](C(=O)OC2CCCCC2)C[C@H]2c3cccc4c3c(cn4C(C)C)C[C@H]21 40496768 FOLARUZJASFCGU-JHMXWDHMSA-N 422.613 5.837 0 1 HKAF CCO[C@@H]1OC(=O)C=C1CC/C=C(\C)CC/C=C(\C)CCC1=C(C)CCCC1(C)C 40940577 CFCUAIAPOSWTBK-FGILNFGKSA-N 414.630 7.592 0 1 HKAF NCc1ccc(CNCc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)cc1 45167852 QTCVNJLGQWIAFR-UHFFFAOYSA-N 418.544 5.645 0 1 HKAF FC(F)(F)c1cc(CNCCCNc2ccc(Cl)cc2)cc(C(F)(F)F)c1 45337243 WTSHNZGKOWONII-UHFFFAOYSA-N 410.789 5.969 0 1 HKAF CCN(CC)Cc1ccc(OCCCCCCCCCCN2CCCCC2)cc1 49050141 OXKBGZCDDUVTDC-UHFFFAOYSA-N 402.667 6.514 0 1 HKAF CCc1cc(CN2C(=O)N(c3ccc(SC(F)(F)F)cc3)C(=O)C2(C)C)ccn1 71316739 QIZPEEXSTQKRRI-UHFFFAOYSA-N 423.460 5.003 0 1 HKAF Brc1ccc([C@]2(CC3CCOCC3)c3ccccc3-c3nccn32)cc1 72112288 UWCXLWPOSUKSGW-JOCHJYFZSA-N 409.327 5.235 0 1 HKAF C[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)[C@H]3Cc4cc(O)ccc4O[C@]3(C)CC[C@H]21 82047477 SSYYQRHNVQFDDJ-XWGFFACBSA-N 412.570 5.809 0 1 HKAF COc1ccccc1CCNc1ncc(-c2nc(C)c(C)o2)c(-c2cccc(C)c2)n1 82173918 JUWFAIDYMQPFIU-UHFFFAOYSA-N 414.509 5.387 0 1 HKAF CCC(CC)c1nc2c(NCc3ccc(F)cc3)ncnc2n1CCc1ccccn1 82186009 ZGBGRXNYFWHIBG-UHFFFAOYSA-N 418.520 5.119 0 1 HKAF O=C1O[C@](COc2ccccc2)(c2ccccc2)CC(O)=C1SCc1ccccc1 100364136 DXJOLJKAZMNKNK-RUZDIDTESA-N 418.514 5.611 0 1 HKAF CCCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1cccs1 100703605 GPGBCKCJRCUPIP-OAHLLOKOSA-N 401.557 5.596 0 1 HKAF COc1cccc(C2(c3cccc(OC)c3)C[C@@H]3c4ccccc4[C@@H]2c2cccc[n+]23)c1 100729148 XNPMOWWZDVCOBR-VSGBNLITSA-N 420.532 5.416 0 1 HKAF CCc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3cc(OC)c(OC)c(OC)c32)cc1 101928013 DVXUWRPSEJJMSF-NRFANRHFSA-N 421.537 6.125 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)NCCCN 103226217 BFGGGGXALODINN-PMPJFHHKSA-N 414.659 6.277 0 1 HKAF CCCCCCCCCCCCCCNC(=O)[C@@H](NC(=O)c1cccs1)[C@@H](C)O 143233471 YEZCLYPZEKOPQA-CTNGQTDRSA-N 424.651 5.045 0 1 HKAF CCN(CC)C[C@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccc(OC)cc12 169333904 GAKTURBXMMNZJN-QFIPXVFZSA-N 419.352 5.592 0 1 HKAF CCCCCCC(C)(C)/C=C\C/C=C\C/C=C/C/C=C\CCCOC(CO)CO 169361749 WWBKAQQXNUZJLA-USAHXWNRSA-N 406.651 6.528 0 1 HKAF COC(=O)/C=C/c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 224229566 FTNAWZGCDDQDJB-OQLLNIDSSA-N 423.516 5.192 0 1 HKAF CC(C)=CCC/C(C)=C\Cc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12 238786452 CMYUBNXMGMQLSC-CHHVJCJISA-N 422.477 5.518 0 1 HKAF Fc1ccc(N2CCN(CC[C@H]3CC[C@H](c4c[nH]c5ccccc54)CC3)CC2)cc1 253930790 YWTJNSVGZBZMGU-MEMLXQNLSA-N 405.561 5.793 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 255196738 ARVGMISWLZPBCH-JFNWGILBSA-N 412.702 7.945 0 1 HKAF C/C(=C\[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)[C@@H](C)C(C)C 257484778 MNBTWOPOWPOHGH-BCGDXLLESA-N 410.686 7.721 0 1 HKAF endogenous,in-man CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccoc2)cc1 299862339 JMVBTBCTKLACNO-ZKMPZPQNSA-N 402.538 5.457 0 1 HKAF Clc1cccc(-c2nc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)cs2)c1Cl 587014186 MAHZYGNLIBQUIM-UHFFFAOYSA-N 416.120 6.362 0 1 HKAF Clc1cccc(-c2nc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cs2)c1Cl 587015590 RGXUFPOQLYFTIG-UHFFFAOYSA-N 418.305 5.822 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4nc(Cl)c(Cl)cc4[nH]3)cc2)n1 587020823 YQVBFAMFSWPMQE-UHFFFAOYSA-N 407.351 5.989 0 1 HKAF Fc1cc2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc2cc1Cl 587068987 AVOKVAXIZUSXPH-ATVHPVEESA-N 411.307 7.182 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cncc(Cl)c2[nH]1 587088130 SIWWOKBUASWCNO-SREVYHEPSA-N 418.715 5.642 0 1 HKAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C)c(F)cc4[nH]3)nc2n1 587115425 OFMUQVLOJCMNHJ-UHFFFAOYSA-N 423.439 5.476 0 1 HKAF Cc1c(-c2nc3c(Cl)c(Br)cnc3[nH]2)cc(-c2ccc(F)cc2)n1C 587165889 OSZMEOOOHCHUMM-UHFFFAOYSA-N 419.685 5.494 0 1 HKAF C[C@H](CSc1ccc(F)cc1)c1nc2ccc(I)cc2[nH]1 587169983 GWYRCNBQXSJRPT-SNVBAGLBSA-N 412.271 5.202 0 1 HKAF COCCC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330882 GCQFPFIXXPFULG-ILBGXUMGSA-N 424.443 5.351 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2cc3ccccc3o2)(C2CC2)[C@@H]1c1ccc(F)cc1 587351753 JKHOVAAIZJRHBQ-RSXGOPAZSA-N 414.432 5.942 0 1 HKAF COc1cccc(-c2cc([C@H](C)Oc3ccccc3O)nc3c2oc2ccccc23)c1 587362105 DXNGPMDNALYUHK-INIZCTEOSA-N 411.457 6.502 0 1 HKAF CCOC(=O)[C@@H](Cc1ccc(C(C)(C)C)cc1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399168 IQHZRMDJVNOPJA-IBVKSMDESA-N 423.553 5.021 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(C)c(C)c4)nc4c(C)cccn14)[C@@H](C2)C3=O 587436067 NABXWUGNQMHIGY-FNZWTVRRSA-N 424.500 5.424 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCOc1ccccc1)(c1ccc(F)cc1)CC2=O 587466725 MKIFCHCURGUEPV-SANMLTNESA-N 420.480 5.814 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Oc3ccc(F)c(F)c3)cc1)CC2=O 587467453 SGKDKLSDLXJWEL-RUZDIDTESA-N 424.443 6.296 0 1 HKAF O=C1C[C@](c2ccc(F)cc2)([C@H]2CC[C@H](C(=O)O)CC2)Oc2c1ccc1c2CCCC1 587500829 DHDDEAHHEIEMOS-UYPAYLBCSA-N 422.496 5.456 0 1 HKAF CC(C)(C)OC(=O)n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587513510 AWXNAABWDAYFES-QHCPKHFHSA-N 417.505 6.010 0 1 HKAF CC(C)c1csc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587536551 WFKVJIBDHVVFNO-RUZDIDTESA-N 403.547 6.054 0 1 HKAF O=C1C[C@H](c2csc3c(Br)cccc23)Oc2c1ccc1c2CCCC1 587536586 WWLIFGMTUVTYKW-LJQANCHMSA-N 413.336 6.249 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(F)c(Cl)c1 587555994 IHLUUEQJTSTRRR-JXFKEZNVSA-N 405.208 5.541 0 1 HKAF Cc1cccc(C)c1-n1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587574583 BRHDJDYXPSZAHX-NVQXNPDNSA-N 411.457 5.503 0 1 HKAF CC1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 587579870 AHRJZYVRGWIGQF-BVAGGSTKSA-N 415.489 5.331 0 1 HKAF CC(C)(C)OC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587595036 MGYYBPRNTRCQPO-NFBKMPQASA-N 418.445 5.050 0 1 HKAF CC(C)[C@@]1(CSc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608199 PXKYTIYNHRBCLH-ZJSXRUAMSA-N 406.503 5.541 0 1 HKAF CCCCCC[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613238 XMPZDRVAPKLQGS-JYFHCDHNSA-N 418.489 5.925 0 1 HKAF CCOc1ccc(-c2nn(Cc3ccc(F)cc3)c(=O)c3ccccc23)cc1OCC 587670559 FLGAQTCCCAJHNY-UHFFFAOYSA-N 418.468 5.048 0 1 HKAF Cc1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587676818 FWUXIUSRLRACFX-QGHHPUGFSA-N 413.128 5.283 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(O)c(Cl)c2)N1 587695308 RGNUBJSHTOFOBF-ZIDLFYJRSA-N 405.094 5.224 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)[nH]c3ccc(Cl)cc23)N1 587703236 XNHUULRLKIFGKG-QPFGOUBPSA-N 409.686 5.052 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cc(N(C)C)ccc3c2)N1 587754544 KNCWCONXQCJVPZ-MCMMXHMISA-N 413.334 5.431 0 1 HKAF COc1cccc([C@@H]2CCCC[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)c1 587812228 YRSGECMNWQZYCA-GHNFSYLKSA-N 418.350 5.684 0 1 HKAF Cc1cccc([C@@H]2CC(=O)C[C@@]3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)c1 587817103 IIWRMSIMAUCTDA-UZSYQUHHSA-N 416.334 5.163 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)C3CCCC3)cc2)N1 587818519 IIAPNQCMTIQFKZ-YEJXKQKISA-N 416.334 5.585 0 1 HKAF Cc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)s1 587846115 GPVHNAIJVXAWTR-OVWNDWIMSA-N 422.388 6.310 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)OCc1ccc(OC)cc1 587866355 YXECFRPPEVFIJB-UHFFFAOYSA-N 420.387 5.161 0 1 HKAF CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(F)cc2[nH]1 587956833 BWIYGVVTWCUSJN-UHFFFAOYSA-N 416.669 9.142 0 1 HKAF O=C(O)CCCCCCCCCCCCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 587957468 LRPYMLJFFYZZPV-UHFFFAOYSA-N 414.525 5.806 0 1 HKAF Cc1ccc(C(F)(F)F)cc1[C@@]1(C)c2ccsc2CCN1Cc1cccnc1 962998789 VYKMUNKFPXEMTL-OAQYLSRUSA-N 402.485 5.792 0 1 HKAF CC(C)(C)OC(=O)CCC[C@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963830893 DGRNOKHAZVMNIX-HSZRJFAPSA-N 420.553 5.446 0 1 HKAF CC(=O)N[C@@H](C)CCc1cnc(-c2ccc(Oc3cccc(OCC4CC4)c3)cc2)o1 1772619806 FAZFLUNBBZNSLJ-KRWDZBQOSA-N 420.509 5.380 0 1 HKAF COC[P@](=O)(N[C@@H](C)C(=O)OCC(C)C)Oc1c(C(C)C)cccc1C(C)C 1772634506 FUSUZWALRVTAQL-YMGMXPECSA-N 413.495 5.287 0 1 HKAF COc1cc(OCc2ccccc2C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 1857552217 PEKGYVZFDTYQAI-UHFFFAOYSA-N 421.478 5.109 0 1 HKAF S=C1Nc2c(sc3ccc(Cl)cc23)[C@H](c2cccc(Br)c2)N1 1857563180 RUWXVNDAQOKADR-ZDUSSCGKSA-N 409.761 5.707 0 1 HKAF S=c1[nH]c2c(c3nnnn13)[C@@H](c1ccc(Cl)cc1)c1ccc3ccccc3c1O2 1857597102 WJGZBEZVUBTGIJ-INIZCTEOSA-N 417.881 5.274 0 1 HKAF CC(C)=CCC[C@@](C)(O)CCCC(C)=CCc1c(O)c(Cl)c(C)c(C(=O)O)c1O 2356418732 UPKGCCJDPUMZAM-HSZRJFAPSA-N 424.965 5.914 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)C=C[C@@]3(CC[C@@H]2[C@@]1(C)C(=O)O)C4 2356457133 DSPCDQGQRCFIKH-YYVCGCKNSA-N 400.559 5.528 0 1 HKAF CC(C)=CCCC[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 2356519164 QFPQAPVPUNXXDR-VOPJPCPHSA-N 412.702 8.233 0 1 HKAF CC[C@H](C)C=C(C)[C@H](O)[C@H](C)C=C(C)C=CC=CC=CC=C(C)C(=O)N[C@@H](C)CO 2356653209 GDEZZTBHSFKRJN-CTZQYXLCSA-N 415.618 5.034 0 1 HKAF Cc1noc(C)c1-c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)c2occc12 61906640 RZBVZPVOUFGSKL-UHFFFAOYSA-N 400.356 5.976 0 3 HKAF Clc1ccc(-c2nc3c4ccccc4ccn3c2Cc2cccc(Cl)c2)cc1 95600068 PSQZWCIYGAKLHQ-UHFFFAOYSA-N 403.312 7.052 0 3 HKAF COc1ccccc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)Nc1c(F)cccc1F 689633 WEVAWEZHVMXKKS-OAQYLSRUSA-N 424.447 5.420 0 1 HKAF COCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cccc2ccccc12 2478251 JJUJFNOJQXQNGU-UHFFFAOYSA-N 404.441 5.067 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 3978786 LGJMUZUPVCAVPU-JFBKYFIKSA-N 416.734 8.105 0 1 HKAF COc1cc(NC(=O)c2ccc(C3CCCCC3)cc2)ccc1OC[C@@H]1CCCN1C 3992120 PPLBSYFHUWWKBI-QHCPKHFHSA-N 422.569 5.468 0 1 HKAF Nc1sc(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1cccc2ccccc12 13518331 JAYJYNKCBFDGIR-UHFFFAOYSA-N 405.522 7.049 0 1 HKAF C[C@H]1C(=O)c2c([nH]c3ccc(Cl)cc3c2=O)C[C@H]1c1ccc(Cl)c(Cl)c1 27082948 OABGRILNAUDEHD-BXKDBHETSA-N 406.696 5.647 0 1 HKAF C[C@H](C1=NC[C@H](C)CC1)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 36387473 QAGPPGDCPAPQLW-UDTKBFGBSA-N 413.646 5.692 0 1 HKAF Cc1ccc([C@H]2CNC(=O)C23CCN(C2(c4ccccc4)CCCCC2)CC3)cc1 38147574 OALSVDCRGQVHMD-XMMPIXPASA-N 402.582 5.150 0 1 HKAF Cc1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1 40880360 FNPZGLDFGHMSIP-UHFFFAOYSA-N 402.310 6.189 0 1 HKAF CC(C)(C(=O)O)c1ccc(-c2c[nH]c3ncc(-c4ccc5ccccc5c4)cc23)cc1 43069232 RFCOWWKVWSXJCS-UHFFFAOYSA-N 406.485 6.412 0 1 HKAF C[C@@](O)(c1ccncc1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C 45244898 WXYPXNYCWKYRQT-ZKMPZPQNSA-N 403.501 5.195 0 1 HKAF Cc1onc(-c2c(F)cccc2Cl)c1NC(=O)OCc1c(F)cccc1Cl 59069046 XNCIYKIAVOBLBC-UHFFFAOYSA-N 413.207 5.984 0 1 HKAF COc1ccc(-c2oc3cc(OCc4ccc(Cl)cc4)cc(O)c3c(=O)c2O)cc1 64548969 JSVWKJOZAFEJLG-UHFFFAOYSA-N 424.836 5.112 0 1 HKAF Oc1ccc(/C=C/c2nc3ccccc3nc2SCc2nc3ccccc3[nH]2)cc1 71294338 RATBGLMTKIUNKU-SDNWHVSQSA-N 410.502 5.674 0 1 HKAF O[C@](c1ccc(C(F)(F)F)cc1)(c1cncc(Cl)c1)c1ccc(Cl)cc1F 72185882 FBTAEUCQSCHWAL-GOSISDBHSA-N 416.201 5.831 0 1 HKAF C[C@@H](Nc1ncnc2[nH]c(-c3ccc(Br)cc3)cc12)c1ccc(F)cc1 73196912 LTILCYNUTAWFQN-GFCCVEGCSA-N 411.278 5.700 0 1 HKAF c1ccc(Oc2cccc(-c3ccc4nnc(-c5ccc6c(c5)OCO6)n4c3)c2)cc1 82081913 GNLVXOVTGRZTEC-UHFFFAOYSA-N 407.429 5.584 0 1 HKAF C/C=C(/C)C(=O)O[C@H]1C=C(C(=O)O)[C@H](CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@H]12 85694373 DJGJPNDCXJTXRM-STVJXARZSA-N 414.542 5.564 0 1 HKAF CCc1cccc2c3c([nH]c12)C(C)(C)[C@@H]1CCc2c(ccc(O)c2C(C)C)[C@@]1(C)C3 95577177 FKDMXMZCXWCLQA-NEKDWFFYSA-N 401.594 6.913 0 1 HKAF CCCCNC(=O)c1cnn(-c2ccccc2C)c1-c1ccc(-c2ccccc2)cc1 96142780 KRQAPHHACCPZEC-UHFFFAOYSA-N 409.533 6.045 0 1 HKAF Cc1ccc(/C=C2\CN3[C@@H]4CC[C@@H]3[C@H](COC(=O)c3ccccc3)[C@@H]2C4)cc1Cl 100912939 PNDOIIRQADCQOY-BTRJVEDXSA-N 407.941 5.372 0 1 HKAF CCOC(=O)[C@](C)(Cc1ccccc1)c1ccnc2c(-c3ccc(Cl)cc3)ncn12 115656411 JKXBJTITQZWKLT-XMMPIXPASA-N 419.912 5.113 0 1 HKAF O[C@H](c1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1)C1CCCC1 116277222 LJPGFWXYBPREBX-VWLOTQADSA-N 402.925 6.545 0 1 HKAF Cc1ccc2ncc(S(=O)(=O)c3cccc(Cl)c3)c(N3CCC(C)CC3)c2c1 137690527 NLKVJJYTJRXOLJ-UHFFFAOYSA-N 414.958 5.266 0 1 HKAF C[C@@H]1C[C@H]2C3=CC=C(c4cncc(C(F)F)c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCNC(=O)C=C12 169266552 BZVHBYDULRSHAL-AAZJEWIJSA-N 424.535 5.868 0 1 HKAF c1ccc(C2=NN=C(c3ccccn3)[C@@H]3[C@@H]4C[C@H]([C@@H]5[C@@H]6C[C@H](c7ccccc76)[C@@H]54)[C@@H]23)nc1 195254007 QAEQEAQDVFBXJR-DDAPDXDOSA-N 416.528 5.083 0 1 HKAF CNc1cc2nc(C)c(-c3ccc(F)c(NC(=O)NCCC(C)(C)C)c3)cc2cn1 204937066 MIKNQZDKGNLBRE-UHFFFAOYSA-N 409.509 5.344 0 1 HKAF COc1cc2c(cc1O)[C@@H]1C[C@H](C[C@@H]3CCCC[C@H]31)OC(=O)/C=C\c1ccc(O)c-2c1 238731416 DRUCJGHRVXTYRK-AGVSRKTFSA-N 420.505 5.396 0 1 HKAF CC(C)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]21C 255197254 AVHGSHJBWASVAK-CKSYWMOSSA-N 424.713 8.233 0 1 HKAF CC(=O)N[C@H]1CC[C@H](CCN2CCC(Cc3cccc(C(F)(F)F)c3)CC2)CC1 261070977 ACKBCTLAXFJWPZ-LBZQVFOQSA-N 410.524 5.045 0 1 HKAF CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(O[C@H]2CC[C@@H](C)CC2)cc1 261122531 JSOWDDQPXGRIEY-KAOJSAQUSA-N 421.537 5.419 0 1 HKAF COc1cc(O)cc2c1-c1c(O)cc(cc1O)CCCCCCCC=CCCCCC2 299807875 ZYGGJLPOXFHXPT-UHFFFAOYSA-N 424.581 7.035 0 1 HKAF OCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1 299823495 DTLONXZATYJNCF-UHFFFAOYSA-N 416.537 5.300 0 1 HKAF OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2CCCSc1cccc(F)c1 299831545 QOECKZUXJGSVMP-RLAPIPATSA-N 405.966 5.476 0 1 HKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(S(N)(=O)=O)ccc4[nH]3)cc2)CC1 586880681 PIJYLBXZKUMQQC-QAQDUYKDSA-N 411.571 5.341 0 1 HKAF Cc1cc(C)c(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)c1 586988248 HMUXRSYNGFAXPU-UHFFFAOYSA-N 422.484 5.258 0 1 HKAF Cc1nc2c(C)ccc3c2c(c1Cc1cccc(C(F)(F)F)c1)-c1ccccc1C3=O 586993713 PXLVYYRJKFVHEG-UHFFFAOYSA-N 417.430 6.673 0 1 HKAF Fc1cc(Cl)cc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c12 587021559 OYGOBOHXPHMBPA-UHFFFAOYSA-N 421.888 6.285 0 1 HKAF Clc1ccc(-c2cc(-c3nc4cccc(Br)c4[nH]3)ccc2Cl)cc1 587048097 QJYLNRIPBUUQCZ-UHFFFAOYSA-N 418.121 6.966 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c2)c1 587049170 HSQDQSUCNRCGPA-UHFFFAOYSA-N 416.786 6.261 0 1 HKAF COc1cc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2cc1C 587055511 KSMSEUVUOQHKOX-UHFFFAOYSA-N 414.292 5.064 0 1 HKAF Fc1cc(Br)c2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc2c1 587063099 OIQQAMVCEOONDX-UHFFFAOYSA-N 415.693 6.376 0 1 HKAF CC(C)(C)c1cccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc12 587064070 LQVVMFZNWJBMLP-UHFFFAOYSA-N 421.928 5.422 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc([C@H](N)N=O)cc2[nH]1 587069212 CZSJZRXUBFNMTC-UNVRERSXSA-N 415.324 5.960 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(F)cc4[nH]3)c(Cl)cc12 587078641 YDNWZUKZHQRADQ-NSHDSACASA-N 400.837 5.554 0 1 HKAF CCCOc1cc2[nH]c(-c3nn([C@H](C)CC)cc3Cl)nc2cc1Br 587079601 JIJMWUMDORRDNA-SNVBAGLBSA-N 411.731 5.602 0 1 HKAF FC(F)(F)c1ccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c(C(F)(F)F)c1 587094968 KXVWOIJFOWWPMK-UHFFFAOYSA-N 400.109 5.969 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(O[C@H](C)C(=O)O)cc4)nc13)-c1ccccc1C2=O 587097559 QWORARQWFDUEGF-OAHLLOKOSA-N 409.441 5.274 0 1 HKAF O=C(O)c1cc(F)cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587159870 WOMZEBBAUSEIRL-LJQANCHMSA-N 414.795 5.361 0 1 HKAF Nc1cccc2c1-c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331620 DWHFKFFOFPJQRB-VPUSJEBWSA-N 423.443 5.397 0 1 HKAF CC(C)CCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353624 LMDFKQWVLDJQBW-VPUSJEBWSA-N 418.508 6.612 0 1 HKAF CCOC(=O)[C@@H](CC(C)=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587364133 XMJDABWYNYKPKB-FQEVSTJZSA-N 417.461 5.282 0 1 HKAF C[C@@]1(c2nc3c(s2)CCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587372487 JFZGASGSHASLOW-NFBKMPQASA-N 409.482 5.141 0 1 HKAF C[C@]1(CCc2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587378708 WFZSADSOVAFNOI-RBBKRZOGSA-N 416.901 5.997 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1OCc1ccc(Cl)cc1)O2 587380073 PUXNCBRGZBEGEC-DEOSSOPVSA-N 407.897 5.690 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(-c3ccc(C(F)(F)F)cc3)c1)O2 587380463 FFHMLHYZEBPDHB-HSZRJFAPSA-N 411.423 6.144 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(Br)c1)(c1cccs1)O2 587412641 JVIMYEKRQWXFJR-FQEVSTJZSA-N 414.324 5.310 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(F)cc4)c4ccccc4n1C)[C@@H](C2)C3=O 587426990 FUIGZYNXEYCXMX-AFMDSPMNSA-N 413.448 5.482 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(Oc4ccccc4)n(C)c4ccccc14)[C@@H](C2)C3=O 587431220 MZBLKDZPVXMYJA-UQBPGWFLSA-N 411.457 5.468 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1c(F)cc(Br)cc1F)CC2=O 587465014 DZVSIAAWJBRFAT-IBGZPJMESA-N 411.242 5.266 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3ccc(OC)cc3)ccc1O)CC2=O 587485170 ZYFIADMTVRRUAG-XMMPIXPASA-N 404.462 5.432 0 1 HKAF CC(C)(C)OC(=O)n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587513509 AWXNAABWDAYFES-HSZRJFAPSA-N 417.505 6.010 0 1 HKAF CCc1ccc2c(c1)C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587528931 GTWHJDKBVJZUOV-NDEPHWFRSA-N 408.497 5.581 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)nc1C(F)(F)F 587555997 NDVCTIQGSYDJEG-MAUKXSAKSA-N 421.758 5.162 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCNc1cc3ccccc3cc12 587591570 CUKXEULRFSCPCR-ZEQKJWHPSA-N 409.441 5.218 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC(F)(F)F)cc3)c(CC3CCCC3)c2c1 587640884 FWDIRDHWGHELPF-INIZCTEOSA-N 415.499 7.980 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(C)ccc3O)c(C(=O)c3cccc(F)c3)c2c1 587640964 HOWNAAPEKJSVDP-INIZCTEOSA-N 401.481 6.733 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccccc2Cl)N1 587695411 JSXIBMDLTCEHAY-YUNKPMOVSA-N 419.725 5.656 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(OC(F)(F)F)c2)N1 587715457 BWTDFEJOUJWFPW-ZKANADHPSA-N 422.191 5.250 0 1 HKAF COc1ccc(C[C@H](C)[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587724425 HXSOWFJHUQUSBU-PVUDRZGPSA-N 410.302 5.190 0 1 HKAF Cc1cc(F)ccc1-c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587730028 ICVCDFLCLTYRDC-GTJPDFRWSA-N 418.281 5.919 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1cc(F)ccc12 587737295 YZODESOLWPBYDR-AMXDTQDGSA-N 412.277 5.534 0 1 HKAF CC(C)CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587790265 FFIRABQXXFOSIF-SPLOXXLWSA-N 406.339 5.637 0 1 HKAF CC[C@H](C)c1ccc(OC)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587807323 MUZVRKFTBCWCNC-OYMPBJRDSA-N 406.339 5.734 0 1 HKAF CSc1ccc([C@]2(C(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587844284 LFTGJOUUWRDYRX-XCLFUZPHSA-N 408.380 5.744 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(CN3CCCC3)cs2)N1 587849282 SARIASQRFNMJNP-RBZFPXEDSA-N 423.395 5.043 0 1 HKAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587926574 JBNLIXCAWUFJRX-LJQANCHMSA-N 404.535 6.273 0 1 HKAF COc1ccccc1Oc1c(Cl)cccc1-n1c(OC(C)(C)C)cc(C)c1O 587939826 FUNUSCUZNFDWGW-UHFFFAOYSA-N 401.890 6.123 0 1 HKAF CC(C)[C@@]1(c2ccc([C@H](C)C(=O)O)cc2)c2ccsc2CCN1Cc1cccn1C 962369419 DGSUCDJKILWXOE-AVRWGWEMSA-N 422.594 5.233 0 1 HKAF C[C@]1(c2ccccc2Cc2ccccn2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962697989 IRTFFBSCTCTYNF-RLWLMLJZSA-N 418.581 5.439 0 1 HKAF C[C@@H](c1ccc(C(F)(F)F)cc1)[C@@H]1c2ccsc2CCN1Cc1cccnc1 962995239 MPLUYUVFMBSYAO-YCRPNKLZSA-N 402.485 6.065 0 1 HKAF COc1cccc2cc3c(nc12)[C@H](c1ccc(OCc2ccccc2)c(C)c1)NCC3 963058792 QZADJGVLNONMRF-SANMLTNESA-N 410.517 5.366 0 1 HKAF Cc1cccc([C@@]2(CCc3ccc(Cl)cc3)NCCc3c(C(=O)O)cccc32)c1 963132596 QZWDNFJEKBCKFS-RUZDIDTESA-N 405.925 5.369 0 1 HKAF CC[C@]1(c2cccc(Cl)c2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963832360 OSMGGPDTHCJKIU-AREMUKBSSA-N 416.952 6.200 0 1 HKAF Cc1ccc2c(c1)C(Cc1ccccc1)=Nc1c(NCc3ccccc3)ncnc1S2 1772614759 NILZCEBMHSLWBB-UHFFFAOYSA-N 422.557 6.225 0 1 HKAF CC1(C)CC[C@H]2CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 1772640576 LCYNRONMEBBTCU-CGYQDJADSA-N 412.702 7.779 0 1 HKAF O=C(CCCN1CCC(O)(c2cccc(Cl)c2Cl)CC1)c1ccc(F)cc1 1857610346 UAJAPWHTZWZLBT-UHFFFAOYSA-N 410.316 5.079 0 1 HKAF O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2[C@H]1c1cccc(F)c1 1857621768 XKGDBADCUICCEX-LJQANCHMSA-N 421.324 6.374 0 1 HKAF C=C=C(CN1CCC[C@@H](C(=O)O)C1)C(c1ccccc1)(c1ccccc1)c1ccccc1 1857637360 LFGPMBSSERFOGZ-HSZRJFAPSA-N 423.556 5.529 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1911580995 YOVSOZLKHUAKFF-REEZCCHISA-N 400.647 6.712 0 1 HKAF CCC(=CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356384738 WSQWPVHORPUSOR-ZUZBAXIESA-N 414.718 8.025 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C)C(C)C 2356399284 ROTWMWMXABSNJC-JWIJBQRISA-N 424.669 7.519 0 1 HKAF CC(=O)O[C@@H]1CC=C(C)CC[C@H](C(C)C)[C@H](OC(=O)C=Cc2ccccc2)C=C1C 2356663691 QXNHMPGONJBGRY-UBFVSLLYSA-N 410.554 5.892 0 1 HKAF CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)CC[C@]1(C)CC[C@H](C)C(=O)[C@H]1C 2356696979 BXLHDWDVXHKFER-URSPUVDMSA-N 406.950 5.783 0 1 HKAF CC(=C[C@H](C)CCC(=CCl)Cc1ccccc1)C(=O)N[C@H](C)c1nccs1 2356799768 UVEMTFXECCTWBX-SJLPKXTDSA-N 402.991 6.048 0 1 HKAF CCCCNc1c(-c2ccc(OC)c(S[C@H](C)CC)c2)nc2ccc(Cl)cn12 61959753 SYHAXXSYRPDTNF-OAHLLOKOSA-N 418.006 6.766 0 3 HKAF Cc1cc(C)cc(NC(=O)O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2[C@H]3Cc2ccccc2)c1 263590644 FHVOLIXZBSJYKZ-UWNMQHKVSA-N 418.581 5.726 0 3 HKAF Clc1ccccc1-c1nc2ccc(Br)cn2c1NC1CCCCC1 4155311 LANSRWKIIZMCHQ-UHFFFAOYSA-N 404.739 6.162 0 1 HKAF CCCCNc1nc(C)nc2c1nc(-c1ccccc1)n2[C@@H](C)CCCN(CC)CC 7991804 QMQZMVVEUJQTFB-IBGZPJMESA-N 422.621 5.697 0 1 HKAF O=C(NCC=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1cc2ccccc2[nH]1 13451853 ORGHRWCADBPJNI-UHFFFAOYSA-N 421.327 6.336 0 1 HKAF Cc1cc2c(c(C)c1Cl)[C@H](c1ccc3c(c1)OCO3)C[C@@](O)(c1ccccc1)O2 13829995 KYYVRYSZSONILS-UUOWRZLLSA-N 408.881 5.445 0 1 HKAF CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](N(C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 25990887 SIPYLDVEYNQDRT-DUJSLOSMSA-N 401.679 6.701 0 1 HKAF CCCCCc1cc(OC(C)=O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](COC(C)=O)C[C@@H]21 26012500 YKGBTFFKORCXHI-NJDAHSKKSA-N 416.558 5.579 0 1 HKAF CC(C)c1ccc(C(=O)OCCCCN2CCC(OCc3ccccc3)CC2)cc1 28650701 CHWHEVBNJSELJL-UHFFFAOYSA-N 409.570 5.428 0 1 HKAF CN1CCC[C@@H]1CCNc1nc(Nc2ccc(C(F)(F)F)cc2)nc2ccccc12 29209817 JQGZPCAXLGHKLJ-QGZVFWFLSA-N 415.463 5.288 0 1 HKAF CCCCC[C@H](/C=C\CCCCCCCc1cc(O)cc(O)c1C(=O)O)OC(C)=O 40917364 SBXHSSAGYGUAKV-OKULMJQMSA-N 420.546 5.747 0 1 HKAF CC(=O)Nc1cccc(-c2ccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c(Cl)c2)c1 49037154 VMXLDNYGXYDAEE-CJFMBICVSA-N 424.972 6.006 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 71341247 CIBAPVLFORANSS-AIEOQHCFSA-N 414.630 6.002 0 1 HKAF O=C(Cn1c(-c2nccs2)nc2ccccc21)Nc1ccc(Cl)c(Cl)c1 73298601 SPNOTYSLAPACTA-UHFFFAOYSA-N 403.294 5.105 0 1 HKAF Cc1ccc(CNc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc(F)cc3)n2)o1 82139647 XYSZKLNBWFRTSH-UHFFFAOYSA-N 422.504 5.201 0 1 HKAF COCCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccccc2F)n1 82175108 PHKMYFMEADJPES-UHFFFAOYSA-N 418.472 5.362 0 1 HKAF Cc1cccc(-c2nc(NCC3CCCCC3)ncc2C(=O)N(C)C2CCCCC2)c1 82216778 OWFKLJJNYOCMRP-UHFFFAOYSA-N 420.601 5.849 0 1 HKAF O=C(Nc1ccc(F)cc1)N1CCc2ccoc2[C@H]1c1ccc(C(F)(F)F)cc1 84756851 QUZCUXJBYBYYSG-GOSISDBHSA-N 404.363 5.617 0 1 HKAF C[C@H]1[C@@H](O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@](C)(Cc3c[nH]c4ccccc34)[C@H](C)CC[C@@]21C 85599922 AOYNVKNXGQEQEA-MEZXNFOZSA-N 407.642 6.976 0 1 HKAF CN1c2ccccc2C(=O)N(c2ccccc2)[C@@H]1c1ccc(-c2cccs2)s1 95583556 SZEWXSYEJFTQSB-JOCHJYFZSA-N 402.544 6.272 0 1 HKAF Nc1nccn2c(C3CCC3)nc(-c3ccc(Oc4ccccc4Cl)c(F)c3)c12 96168242 NMEWPYXIIFIDLM-UHFFFAOYSA-N 408.864 5.831 0 1 HKAF S=c1[nH]c2c(c(=S)[nH]1)[C@H](c1cccc(Br)c1)C1=C(CCCC1)N2 103163695 AXFHQASDCPKFLS-CYBMUJFWSA-N 406.374 5.950 0 1 HKAF Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cnccn3)cc(-c3nccs3)c2)cc1 113761420 BXTGAPWJHCMEHB-MRXNPFEDSA-N 400.507 5.067 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](CO)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 139801990 UFSXLKIYCIVODX-SFIYCSGQSA-N 416.734 7.962 0 1 HKAF CCN(CC)c1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(Cl)cc1Cl 142527100 FCLCWOFSMJBIJE-UHFFFAOYSA-N 423.775 6.385 0 1 HKAF Cc1cc(NCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)on1 145501708 QKQPZZYKRBKVHC-FQEVSTJZSA-N 419.506 5.910 0 1 HKAF O=C(Nc1ccccc1F)N1CCc2ccccc2[C@H]1c1ccc(C(F)(F)F)cc1 169311623 IVTRAXDWFJKHBQ-OAQYLSRUSA-N 414.402 6.024 0 1 HKAF COc1cc(C)ccc1-c1cccc2nc(Nc3cc(OC)c(OC)c(OC)c3)oc12 169328313 HWXDZAYQHRBBQT-UHFFFAOYSA-N 420.465 5.581 0 1 HKAF CCOC(=O)c1c(CSc2c(Cl)cccc2Cl)n(C)c2ccc(O)cc12 169345879 BYSLMAUOJRMTSF-UHFFFAOYSA-N 410.322 5.660 0 1 HKAF O=C(O)C1(Sc2ccnc3ccc(-c4ccccc4C(F)(F)F)cc23)CCC1 220121437 WLKGFFKVKMXGNB-UHFFFAOYSA-N 403.425 6.020 0 1 HKAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]3CC[C@@H]2[C@@H](C)/C=C\C(C)C)C1 255264104 SAWMHXICEQYKKZ-HNTRNFFQSA-N 414.674 7.425 0 1 HKAF COc1cc2nc(C)c(-c3ccc(OCc4ccccc4)c(F)c3)c(O)c2cc1Cl 299826243 ZTPJLRVONJQJCN-UHFFFAOYSA-N 423.871 6.296 0 1 HKAF CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NCc4ccccc4)c3)cc2s1 474608417 LMMYZDOSQIYPHS-UHFFFAOYSA-N 408.914 5.582 0 1 HKAF CCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1ccc(C(F)(F)F)cc1 474609595 QWFGWWFRKZDRSG-UHFFFAOYSA-N 404.392 5.058 0 1 HKAF Brc1ccc(COc2ccccc2-c2nc3cc4cn[nH]c4cc3[nH]2)cc1 586999330 ZPOOZCWFHBRHKJ-UHFFFAOYSA-N 419.282 5.448 0 1 HKAF Clc1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2cc1Cl 587014098 KILADPKACZNTAH-UHFFFAOYSA-N 415.132 6.967 0 1 HKAF Cc1c(Br)ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587016480 WNVQRXYDAWHLOO-UHFFFAOYSA-N 412.312 5.359 0 1 HKAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(Cl)nc2[nH]1 587019248 WFHYSAOPNXIMOE-UHFFFAOYSA-N 423.756 6.368 0 1 HKAF Cc1cc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Cl 587033353 YSCXIXCRQJLZOS-LYGDGENHSA-N 418.975 5.652 0 1 HKAF COc1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cn1 587064170 OBMFHOVAZLAMSS-UHFFFAOYSA-N 418.884 5.321 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587076597 XIAUWAUCKPOPRO-UHFFFAOYSA-N 412.880 5.608 0 1 HKAF Clc1ccc(-c2cnccc2-c2nc3cc(Sc4ccccc4)ccc3[nH]2)cc1 587077366 WAKMUGDUJMNEGU-UHFFFAOYSA-N 413.933 7.097 0 1 HKAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)n1 587080613 RGEYQOLAWCZDMY-SSDOTTSWSA-N 421.648 5.832 0 1 HKAF FC(F)(F)c1cccnc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587109234 VUSCWWJPJXONMP-UHFFFAOYSA-N 410.115 5.425 0 1 HKAF COc1c(F)cc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1F 587134750 MKENTQNYEWJIFE-UHFFFAOYSA-N 411.246 5.314 0 1 HKAF Cc1ccc(/C=C/c2nc3c(Br)cnc(Br)c3[nH]2)cc1F 587146358 JIPGRNUFSBOAAA-SNAWJCMRSA-N 411.072 5.101 0 1 HKAF CC(C)(C)c1cccc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c12 587153943 FUXOPCGPBFCSKP-UHFFFAOYSA-N 417.484 5.684 0 1 HKAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)c2)c1 587160153 JEHZURMAVGXHDJ-UHFFFAOYSA-N 424.475 6.624 0 1 HKAF Cc1cc(Cl)cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c12 587241117 ZPJIBOIUISIUFQ-ICSGCJEQSA-N 419.953 5.080 0 1 HKAF CC(C)(O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587349845 GCUARDQAEIWGNT-RDGATRHJSA-N 406.453 5.033 0 1 HKAF CCOC(=O)[C@H](CCOC)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587361969 BUHHWARPWSTDIS-GOSISDBHSA-N 419.477 5.340 0 1 HKAF COc1cccc(-c2cc(-c3ccc(NC(=N)N)cc3)nc3c2oc2ccccc23)c1 587362349 IAPVFLINEYHPOW-UHFFFAOYSA-N 408.461 5.629 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)cc(C34CC5CC(CC(C5)C3)C4)c1O)O2 587402706 BKLBBVYKVAQZIV-VHPSJOIFSA-N 417.549 5.766 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC3=C(CC[C@H]4[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]43)C1)O2 587407707 KFXAQDBLJYFUTE-VDWVQHIOSA-N 419.565 5.567 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1oc4ccccc4c1N)[C@@H](C2)C3=O 587434674 YGNMBESFTSFICL-AFMDSPMNSA-N 411.457 5.023 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccc(F)cc1)(c1ccc(Cl)cc1)CC2=O 587465251 BTZHTSPYERLNHI-RUZDIDTESA-N 424.899 6.241 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)c3ccccc31)CC2=O 587474460 HIMJUDFWCVTJMM-RUZDIDTESA-N 423.509 5.351 0 1 HKAF CCCc1c(O)ccc2c1O[C@](COc1ccc(C=O)cc1)(c1ccccc1)CC2=O 587477597 DEFBQKHKEUPQCY-AREMUKBSSA-N 416.473 5.097 0 1 HKAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1Cc1ccccc1F 587502896 INBRSCAPZBOBMY-VWLOTQADSA-N 403.497 5.878 0 1 HKAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1Cc1ccc(F)cc1 587504486 HJNCIFYOEDXNQB-RUZDIDTESA-N 403.497 5.878 0 1 HKAF Cc1nn(Cc2ccc(F)cc2)c(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587509195 QSAZFOGXQHTADH-NRFANRHFSA-N 424.903 5.618 0 1 HKAF Cc1ccc(OCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 587565467 JBHVNHHPMYZTPR-UHFFFAOYSA-N 401.182 5.111 0 1 HKAF CC(C)(C)C[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569710 IXHSNTBZYRQUDI-SQJMNOBHSA-N 406.453 5.825 0 1 HKAF COc1ccccc1-c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587599831 HWFZYOYUAJAXEX-SHQCIBLASA-N 424.452 5.771 0 1 HKAF CC(C)C[C@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599927 IZXUYBBWKBBMPS-BVAGGSTKSA-N 402.490 5.772 0 1 HKAF CCOc1ccc(-c2nn(-c3cc(F)cc(F)c3)c(=O)c3ccccc23)cc1OCC 587672399 VBIXFXARKQFWOD-UHFFFAOYSA-N 422.431 5.128 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2Br)N1 587679638 RHIDMXUPGIEBFJ-QGHHPUGFSA-N 413.128 5.148 0 1 HKAF COc1ccc(C(F)(F)F)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587711757 LZQNVYHNILGZJA-VVVCHXIZSA-N 418.228 5.239 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SC(F)F)cc2)N1 587720718 UHSVLVLTPLBZGQ-JDNHERCYSA-N 402.279 5.527 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2N)(C2CCCC2)N1 587745283 DZZNJFAZDCGCQG-ASSNKEHSSA-N 403.339 5.138 0 1 HKAF CC(C)Oc1ccc(CC[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587797287 VZJAXFNSCWWUEE-SZNDQCEHSA-N 406.339 5.584 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2ccccc2)(c2ccccc2)N1 587815878 QWECQLVFUAGRSO-WNSKOXEYSA-N 424.313 5.249 0 1 HKAF CCOc1cccc2cc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)oc12 587830786 USHPAKCYQDNQAS-QKVFXAPYSA-N 418.306 5.531 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCN(Cc3cccs3)CC2)N1 587850955 GWJNZXJIXDVYHP-RNODOKPDSA-N 423.395 5.137 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C(F)(F)F)cc(C)n1 587863985 AOBQDHKDAYHTQI-UHFFFAOYSA-N 415.337 5.679 0 1 HKAF Nc1ccc(-c2ccc3nc(/C=C/c4ccccc4Oc4ccccc4)[nH]c3c2)cc1N 587949883 LYUKEDLKGANRQJ-NTCAYCPXSA-N 418.500 6.357 0 1 HKAF FC(F)(F)c1cc(Br)cc2nc(/C=C/c3cccc4ccccc34)[nH]c12 587969146 RKJUWCDSKDQNOJ-CMDGGOBGSA-N 417.228 6.668 0 1 HKAF CCOc1ccc(-c2ccc(-c3noc(Cc4c[nH]c5ccccc45)n3)s2)cc1 653691101 RVFLDTJBWMTXKQ-UHFFFAOYSA-N 401.491 5.936 0 1 HKAF CCCCCOc1cc([C@@H]2c3cc(OC)c(OC)cc3C[C@H](C)N2C)ccc1OC 962577487 YYVSQBXHZZLUCU-SSOJOUAXSA-N 413.558 5.247 0 1 HKAF Cc1ccc([C@@]2(CCc3cccc(C)c3C)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962911035 YEXMXPFJDDXKAY-RPLLCQBOSA-N 417.524 5.226 0 1 HKAF Cc1ccc(C)c([C@]2(c3ccccc3Cl)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963035618 SBFROEYYJOLBQN-HFJWLAOPSA-N 416.952 5.302 0 1 HKAF C/C=C(\C)C(=O)Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)[nH]nc3c2)c1 1772580162 IOLWPWWTPUHDMR-AALHFQTCSA-N 409.489 6.430 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)NCC[C@@]43C)[C@@H]1CC=C2c1cncc(C(F)F)c1 1772616338 QCQHONZVRCJAEE-NMMWDWHSSA-N 414.540 5.781 0 1 HKAF Fc1ccc(CC[C@H]2CN(Cc3c[nH]c4cc(Cl)ccc34)CCC2(F)F)cc1 1772627244 WZQBDVCZJDNCES-KRWDZBQOSA-N 406.879 6.050 0 1 HKAF Oc1cccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c2Cc2ccc(O)cc2-3)c1 1857548362 PACSFPBYKLPYRZ-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF COc1cc(OC)cc(-c2cc3cc(OC)c(OC)cc3c(-c3cccc(O)c3)n2)c1 1857648398 HDCSQRWVPUQNOA-UHFFFAOYSA-N 417.461 5.309 0 1 HKAF CC(=CCC[C@](C)(O)CCCc1ccoc1)CCC[C@@H](C)C=C1OC(=O)C(C)=C1O 2356532073 QFBUNOKEKXMSCV-CLOONOSVSA-N 416.558 6.159 0 1 HKAF O[C@H]1CN2CCCC=CCCCCCC3=C[C@H]4CN5CCCCC=CCC[C@@](C2)([C@H]14)[C@@H]35 2356697503 SVFQETJDDGVUQV-APNLASKRSA-N 424.673 5.327 0 1 HKAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)C3=C(CC[C@@H]12)CN(CCS(=O)(=O)O)C=C3 2356835388 KRFZVTQRVGSQKF-DWQJTFDBSA-N 407.620 5.043 0 1 HKAF COc1ccccc1Cc1c(-c2ccc(C)cc2)nc2c(C)cc(Br)cn12 72129999 YFDJKDOELAMLEP-UHFFFAOYSA-N 421.338 5.980 0 3 HKAF COc1ccccc1Cc1c(C(C)(C)C)nc2cc(C)c(Br)c(C)n12 95568922 WAZJWHPIVQICGM-UHFFFAOYSA-N 401.348 5.611 0 3 HKAF C[C@H](CO)CC[C@@H]1O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2[C@@H]1C 263590650 FYYDHQYCPMWNIL-YMGZCWQUSA-N 416.646 5.348 0 3 HKAF O=c1[nH]c2sc(Cl)c(C3CC3)c2c(O)c1-c1cccc(Oc2ccccc2)c1 13680063 SZMAZZVZQMTUFJ-UHFFFAOYSA-N 409.894 6.285 0 1 HKAF Cc1cc(O)c(C)c2c1O[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C=C2 14767653 UGGWLEJOHZBWFT-RXYILKCJSA-N 414.674 8.612 0 1 HKAF biogenic CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H](CCc1ccccc1)OS(=O)(=O)O 26164661 NEFSIVFHFSCMQH-HOUBMWHVSA-N 420.615 5.996 0 1 HKAF O[C@@H](COc1cccc2[nH]ccc12)CN1CCC(c2cc3ccccc3s2)CC1 26578549 YVOIIEQOIZEGMN-LJQANCHMSA-N 406.551 5.002 0 1 HKAF O=C(CCCCCCc1ccccc1)c1ncc(-c2cc(C(F)(F)F)ccn2)o1 34803758 WSTXCZKZJBJXQK-UHFFFAOYSA-N 402.416 6.131 0 1 HKAF Cc1cccc2[nH]c(-c3cccc(-c4ccc(CNCc5ccccc5)cc4)c3)nc12 45189798 UORFRZBDMGDAAZ-UHFFFAOYSA-N 403.529 6.495 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)[C@H](C)CN(C)C)c4)cc3)nc12 45302561 XMIBGIJDWGWPJL-GOSISDBHSA-N 412.537 5.342 0 1 HKAF O=C(O)Cc1sc(C(c2ccccc2)c2ccccc2)nc1-c1ccc(Cl)cc1 45338751 HIEUVNLETVQMHD-UHFFFAOYSA-N 419.933 6.271 0 1 HKAF O=C(Oc1ccc(Cl)cc1Cl)C(Br)(C(F)(F)F)C(F)(F)F 68573949 QQAAYWHTDODMER-UHFFFAOYSA-N 419.930 5.157 0 1 HKAF biogenic Cc1nc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc(F)cc2)oc1C 82164345 WMNLQAKZHPGPTR-UHFFFAOYSA-N 408.864 5.820 0 1 HKAF O=C(Nc1ccc(Oc2nc3ccccc3o2)cc1)c1cc(Cl)cc(Cl)c1O 95541803 LPPNRKDARCHWRY-UHFFFAOYSA-N 415.232 5.885 0 1 HKAF CC(C)Oc1ccccc1[C@@H]1Nc2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C21 103935489 HPXXFDKPOXTJKY-MMTVBGGISA-N 424.544 7.103 0 1 HKAF CC1=C(O)/C(=C/[C@@H](C)CCC/C(C)=C\CCc2coc(Cc3ccoc3)c2)OC1=O 106563913 GOKZWKYAKOVREM-YJLONHQUSA-N 410.510 6.421 0 1 HKAF O=C(CCCc1cccs1)Nc1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166984685 IPBFEZZKLQZGAW-UHFFFAOYSA-N 405.523 5.257 0 1 HKAF C[C@@H](c1ccccc1)c1nnc(-c2sc3ccccc3c2OC2CCNCC2)o1 169307414 JMFPGLKOJFIXHJ-HNNXBMFYSA-N 405.523 5.234 0 1 HKAF CC[C@H](/C=C/[C@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 255222139 JZVFJDZBLUFKCA-CFSLKAKISA-N 412.702 7.801 0 1 HKAF FC1(c2ccc(-n3ccnc3-c3ccc(-c4ccc(Cl)cc4)o3)cc2)CCNCC1 299831371 BPDRSYOIAMRYHS-UHFFFAOYSA-N 421.903 6.001 0 1 HKAF Cc1cc(Br)ccc1OCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586981659 SHHWIFGUUZKBLN-UHFFFAOYSA-N 419.628 5.885 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2ccnc(Cl)c2[nH]1 586981751 NXAPFJMZOPHFEQ-UHFFFAOYSA-N 408.727 6.000 0 1 HKAF CCCc1c(-c2ccc3c(c2)OCO3)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586992829 YGQVZEDUASSTOC-UHFFFAOYSA-N 409.441 5.500 0 1 HKAF COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(C(F)(F)F)c1 586993139 LPGTZPWDBUJXGB-UHFFFAOYSA-N 419.402 6.449 0 1 HKAF Cc1cc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2cc1C 587007683 NNWNXOJKOMIFFP-UHFFFAOYSA-N 424.298 5.378 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(F)cc(Br)c2[nH]1 587015145 YNOXXVXCQKEBMG-UHFFFAOYSA-N 422.710 6.217 0 1 HKAF Fc1cc(C(F)(F)F)c2[nH]c(COc3ccccc3C3SCCS3)nc2c1 587043081 XYHBHOKCKWHYBV-UHFFFAOYSA-N 414.449 5.778 0 1 HKAF COC(=O)c1cccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c12 587060174 DHBVXYJQVZIRAI-UHFFFAOYSA-N 413.864 5.885 0 1 HKAF CC[C@H](Oc1ccccc1Cl)c1nc2c(Br)cnc(Cl)c2[nH]1 587062994 YZSIHCNAEBZDLU-JTQLQIEISA-N 401.091 5.557 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 587073454 GKWXITWMFPAAMA-UHFFFAOYSA-N 418.871 7.471 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc2c1 587120712 TZOVQUOOWNTBBP-UHFFFAOYSA-N 404.701 5.797 0 1 HKAF Oc1nc(NCc2ccccc2)c2nc(-c3cccc(-c4ccccc4F)c3)nc-2[nH]1 587153263 PEWSHNDTKRLKLE-UHFFFAOYSA-N 411.440 5.095 0 1 HKAF Fc1cncc(Cl)c1Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587175826 IHFKATLJVRTNTP-UHFFFAOYSA-N 408.580 5.123 0 1 HKAF CC[C@H](C)n1ncc(I)c1-c1nc2cc(C(C)(C)C)ccc2[nH]1 587180726 KGNJKKFPVVJCOS-NSHDSACASA-N 422.314 5.300 0 1 HKAF Fc1c(Br)cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1F 587229240 CGNBFMHYUXVDLT-UHFFFAOYSA-N 415.241 5.278 0 1 HKAF COc1cccc(-c2cc(-c3ccc(C(=O)O)c(F)c3)nc3c2oc2ccccc23)c1 587361325 XJZSHGOXXOFTDQ-UHFFFAOYSA-N 413.404 6.161 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1ccc3ccccc3c1)O2 587400889 UCHOZEMOEBRHJP-AREMUKBSSA-N 409.485 6.016 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(Cl)ccc1Cl)[C@@H](C2)C3=O 587424208 YADULGGMFWGNME-FDDCHVKYSA-N 411.284 5.693 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1cc(F)cc(Br)c1)CC2=O 587465788 GSLBPMLMWYJUBL-HXUWFJFHSA-N 407.279 5.517 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCCC(=O)O)(c1ccc(Cl)s1)CC2=O 587492018 ABDZXHBNLBLZBR-HXUWFJFHSA-N 408.903 5.175 0 1 HKAF COc1ccc2c(c1Br)[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587500427 WTRFFZHPADFGBN-JOCHJYFZSA-N 413.311 5.143 0 1 HKAF O=C(c1ccco1)c1cc2ccccc2nc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587524002 ITFLQPMHVYEPJP-DEOSSOPVSA-N 423.468 5.644 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCSc1cc(F)c(F)cc12 587570845 MFVYILLEMVUPHZ-SIKLNZKXSA-N 412.413 5.023 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)Cc1ccccc1-2 587603638 QKECKVOPERXUIW-RPLLCQBOSA-N 406.437 5.666 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccsc2)s1 587614724 SVXXGVPVIFLTJQ-FXAWDEMLSA-N 407.472 5.280 0 1 HKAF Cc1ccc(-c2noc(-c3c(C)[nH]c4c3c(Br)cc3n[nH]cc34)n2)cc1 587623702 LZMQYYRSMAZUGB-UHFFFAOYSA-N 408.259 5.141 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2F)(C(F)(F)F)N1 587701256 CDKUBYOMKOPXEX-JDNHERCYSA-N 406.192 5.067 0 1 HKAF C[C@@H](c1ccc(C(F)(F)F)cc1)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587717295 WUWWVSTZUNQGSI-LIBAHTEVSA-N 416.256 5.986 0 1 HKAF CC[C@@]1(c2cc(F)c(OC)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587721288 PKPOYVASJIFPLG-DGIBIBHMSA-N 414.265 5.063 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)F)c(Cl)c2)N1 587722842 ZYLRGJYYRFDUQO-PWJLMRLQSA-N 420.656 5.467 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccc(F)cc3)cs2)N1 587735043 OOQSNHSGIHVYGK-YPMLDQLKSA-N 421.310 5.474 0 1 HKAF Brc1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587784284 OSKIANNEHNNMKW-MDWZMJQESA-N 405.295 6.075 0 1 HKAF COc1ccc(C2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 587809527 QXNOIXBDZLSGCX-WMKMYWHRSA-N 418.350 5.684 0 1 HKAF CC1=CCCC(C)(C)[C@@H]1/C=C(\C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587812994 ACPNTFOCHHNTHV-DGTKDDLXSA-N 420.410 6.666 0 1 HKAF CCCCC[C@@]1(c2ccc(O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587832067 JDMQDNSKZZOJER-QKKBWIMNSA-N 406.339 5.652 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(O)cc2)N1 587835967 YVPCAJNZTDFJRM-JLCFBVMHSA-N 412.302 5.120 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1ccccn1 587859968 NTTWHXMYQRZINR-UHFFFAOYSA-N 408.310 5.083 0 1 HKAF CCCc1cc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)sc1C 587864098 KXABIMXCQBSYSO-UHFFFAOYSA-N 408.445 5.588 0 1 HKAF COc1cccc(CCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 587931419 PCYJLZBPCWYVCZ-UHFFFAOYSA-N 415.209 5.018 0 1 HKAF Fc1c(Cl)cc(Br)cc1[C@H]1NCCc2cccc(-c3ccccc3)c21 962663891 HCLOZKWSWDTWQK-OAQYLSRUSA-N 416.721 6.144 0 1 HKAF O=C1Nc2ccccc2[C@@]2(c3ccccc31)c1ccsc1CCN2Cc1cccnc1 962999500 RXMSEBYGWIHACT-SANMLTNESA-N 423.541 5.059 0 1 HKAF FC(F)Sc1ccc2c(c1)CCC[C@@]21NCCc2c(Cl)cc(Cl)cc21 963107217 MBUDTAVWIDSDQI-LJQANCHMSA-N 400.321 6.034 0 1 HKAF CC(C)(C)OC(=O)Nc1nccc(Cl)c1[C@@H]1c2ccc(F)cc2C[C@H]2CCCN12 963117179 XUQMXMFDIYTROW-BEFAXECRSA-N 417.912 5.331 0 1 HKAF Cc1cccc(CC[C@]2(C)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c1 963184319 RAJXRLANELDKDQ-QUCCMNQESA-N 411.851 5.114 0 1 HKAF CC[C@H](C)Oc1ccc2c(c1Cl)CCN(Cc1ccc([C@H](C)NC(C)=O)cc1)C2 1772601489 MGJFQPQBPFHKFC-IRXDYDNUSA-N 414.977 5.273 0 1 HKAF CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](c3ccccc3)Nc3c(ccc4c3CCCC4)[C@@H]21 1857560720 QAABQLLOOCAASJ-NMVJMZGASA-N 418.581 6.420 0 1 HKAF COc1cc2c(cc1OC)[C@H](CCc1c[nH]c3ccccc13)N(CC(F)(F)F)CC2 1857568030 DGHYBWQULDJDCT-FQEVSTJZSA-N 418.459 5.279 0 1 HKAF Oc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c2Cc2ccc(O)cc2-3)cc1 1857596727 DZNILKNYHYPNRP-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF COc1ccc(C(c2ccc(OC)cc2)[S@@](=O)Cc2csc(C3CC3)n2)cc1 1857606477 DGIWTLGDWBRTEL-NDEPHWFRSA-N 413.564 5.076 0 1 HKAF COc1ccc2oc(-c3csc4ccccc34)c(OC(=O)C(C)(C)C)c(=O)c2c1 1857620485 CNVGYAUZFWULBI-UHFFFAOYSA-N 408.475 5.635 0 1 HKAF Oc1ccc(OC(=S)Nc2ccc(Sc3ccc(C(F)(F)F)cc3)cc2)cc1 1857655244 QQDAGKCXNVGERQ-UHFFFAOYSA-N 421.465 6.338 0 1 HKAF CCOC(=O)c1c(-c2cccc(Br)c2)oc2c1cc(O)c1ccccc12 1857764885 DNCIZYCIXXGYLY-UHFFFAOYSA-N 411.251 5.898 0 1 HKAF COC1=CC(c2ccc[nH]2)=NC1=Cc1[nH]c2cc1[C@H](CC(C)C)CCCCCCCC2 2356342732 FMYDORNOPXGCEO-FQEVSTJZSA-N 419.613 7.133 0 1 HKAF C[C@H]1CO[C@H]2C[C@](C)([C@@H]3CC[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]43C)O[C@@H]12 2356433000 RTMWIZOXNKJHRE-JBLXJROGSA-N 416.646 5.589 0 1 HKAF Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccccc2Cl)c1C(=O)c1ccccc1 95566441 HTAYCKQROKXYCL-UHFFFAOYSA-N 400.865 5.379 0 3 HKAF O=C(N[C@@H]1c2ccccc2CC[C@@H]1c1ccncc1)C(c1ccccc1)c1ccccc1 13755664 JFXWGFRAISTHIL-IXCJQBJRSA-N 418.540 5.801 0 1 HKAF CC(C)c1ccc(-c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)cc1 14978315 XIQQZRCWOSRXEN-UHFFFAOYSA-N 418.562 5.479 0 1 HKAF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CCCCCCCCCCCCCCO)O2 28397108 OAXDGVVGFGVLPE-MHZLTWQESA-N 418.662 7.465 0 1 HKAF CC(=O)OCc1cc(O)c2c(c1)[C@H]([C@@H](C)CCC=C(C)C)C[C@H](OC(C)=O)[C@H]2C 28974949 AXMCHASUBUDAKX-BORIIKKCSA-N 402.531 5.360 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC(CO)CO 32840868 LRBJILYYDLUADN-JLNKQSITSA-N 404.591 5.585 0 1 HKAF endogenous,in-man CC(C)(C)c1cc(NC(=O)CCCCCCCCC(=O)O)c(O)c(C(C)(C)C)c1 38497744 OWEQVDUDNYDEJX-UHFFFAOYSA-N 405.579 6.131 0 1 HKAF C[C@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@](C)(O)c2ccccc2)c1 39643444 PNDZVDCEOHUNSU-HCLMJZEPSA-N 419.653 6.871 0 1 HKAF CCCNC1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 64549443 MTLNHBWTMPTTGW-UHFFFAOYSA-N 413.993 5.225 0 1 HKAF Clc1ccc(-n2nc3c(cnc4ccccc43)c2OCc2ccccc2Cl)cc1 66066128 SOCJQMROXJKCQV-UHFFFAOYSA-N 420.299 6.460 0 1 HKAF CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@H]1c1ccc(OCc2ccccc2)cc1 73197950 FODNVINVZVFLMT-MHZLTWQESA-N 422.484 5.658 0 1 HKAF COc1ccc(-n2nc3c(c2-c2ccc(C(C)(C)C)cc2)C(=O)CC(C)(C)C3)cc1 73221931 MPPUVUSJXKMPKR-UHFFFAOYSA-N 402.538 6.001 0 1 HKAF C[C@@H]1C[C@@H](Nc2cncc(Oc3ccc4oc5ccccc5c4c3)n2)CC(C)(C)C1 82068826 XRXULGLSMZBBJD-IAGOWNOFSA-N 401.510 6.795 0 1 HKAF COc1cccc(CNc2nc(NC3CCCCC3)c3cc(OC)c(OC)cc3n2)c1 82119750 ZGIQXPJEBUPNCZ-UHFFFAOYSA-N 422.529 5.012 0 1 HKAF c1cc(OCC2(CC3CC3)CCCCC2)c2nc(-c3nnc4ccccn34)ccc2c1 96175036 PNKRVGWERYBYTR-UHFFFAOYSA-N 412.537 6.074 0 1 HKAF OCCc1ccc([C@@]2(c3cccs3)C[C@H]3c4ccccc4[C@H]2c2cccc[n+]23)s1 100819819 IZEPCKLRFRANHV-TUSQITKMSA-N 416.591 5.057 0 1 HKAF COc1cccc(Cl)c1[C@@H]1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1 103270533 VVOFYAIDQUPWND-INIZCTEOSA-N 413.823 5.501 0 1 HKAF CCCCc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OCC)s1 103566950 YFXKWMJNLRVKHX-NRFANRHFSA-N 401.572 6.098 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccc(F)c(Oc3ccccc3)c2)CCC1 103921578 TXJQSSRGXQUXNK-RUZDIDTESA-N 400.453 6.853 0 1 HKAF COc1ccncc1-c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1 139794248 LAIZEVKNUZLXHG-UHFFFAOYSA-N 422.444 5.052 0 1 HKAF COc1ccc(-c2ccc(-c3csc(Nc4cccc(C)n4)n3)cc2)cc1OC 142966297 XJNPNBDXPIRPPR-UHFFFAOYSA-N 403.507 5.941 0 1 HKAF Cc1[nH]c(C)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)nc2)c(=O)c1Cl 143702217 NSBHQKVZINDVRI-UHFFFAOYSA-N 410.779 5.398 0 1 HKAF CC1(C)CCC2=C(C1)C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 145670195 UNULJZGBTGCCHL-WAJDCHDJSA-N 410.686 7.843 0 1 HKAF CC1=NN=C(c2cc3c(C(F)(F)F)cccc3s2)c2cc3oc(=O)[nH]c3cc2C1 169703949 CQMLETFIENAKAA-UHFFFAOYSA-N 415.396 5.124 0 1 HKAF CC(=O)OC[C@@H]1[C@@H]2CC[C@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccccc2)cc1)C3 195319563 KUMJBZOBGCDDHP-QHCIIFNTSA-N 401.550 5.421 0 1 HKAF CCCCC[C@H](CC(=O)O)c1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@H](C)[C@@H](C)C2=O 198333821 AOXPJDCNCHHXBI-RBSFLKMASA-N 416.514 5.315 0 1 HKAF CNc1cc2nc(C)c(-c3cc(NC(=O)NCCC(C)(C)C)ccc3F)cc2cn1 204949394 ACGNJFZSGIKELN-UHFFFAOYSA-N 409.509 5.344 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 238760260 FNKOKHZCQSJJOQ-SUXOAXSRSA-N 424.713 8.089 0 1 HKAF C[C@@H](CCC[C@@H](C)CC[C@H]1[C@@H](C)CCCC1(C)C)CC(=O)Nc1ccc(O)cc1 253684983 UUDJTOPCDKTLHE-XBJMDHIQSA-N 401.635 7.406 0 1 HKAF Oc1ccc2c(c1)[C@]1(CCCc3ccccc3)CCN(CCc3ccccc3)C[C@@H]1O2 299866710 WIWQJHNKUKGALJ-NSOVKSMOSA-N 413.561 5.362 0 1 HKAF CC(=O)c1ccc(-c2cccc(-c3nc4cc(C)cc(Br)c4[nH]3)c2)cc1 586880628 PHKTVGPGISQJHO-UHFFFAOYSA-N 405.295 6.170 0 1 HKAF CC(C)c1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(O)c(C(C)C)c1 586896435 LUZSYPDJDJINAZ-UHFFFAOYSA-N 417.513 5.242 0 1 HKAF Fc1cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cc1F 586999127 WCERWSUNBXTFQJ-SOFGYWHQSA-N 401.210 6.034 0 1 HKAF Clc1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2nc1Cl 587000092 FMNDBKKWKPHDQB-UHFFFAOYSA-N 423.097 5.759 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4nccc(Br)c4[nH]3)c21 587032157 ZKUIUUGJHFWRAJ-NSHDSACASA-N 413.344 5.679 0 1 HKAF Clc1cc(Cl)c2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc2c1 587050953 WDACBCWOEVMIEH-UHFFFAOYSA-N 423.730 8.010 0 1 HKAF FC(F)(F)[C@@](F)(Cl)c1nc2cc(Br)c(Br)cc2[nH]1 587090429 QINWMASTTBQYBA-MRVPVSSYSA-N 410.390 5.011 0 1 HKAF CCCCC[C@@H]1c2nc3cccc4c3c(c2C[C@H]1CC(=O)OC)-c1ccccc1C4=O 587106219 HEPDMCFZLXUVHV-IRXDYDNUSA-N 413.517 5.846 0 1 HKAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccnc(Br)c2[nH]1 587122694 WNHHYKWRRRDBPN-UHFFFAOYSA-N 423.192 5.143 0 1 HKAF Cc1cc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2cc1Br 587136837 OKYDAIRRZUFOQM-UHFFFAOYSA-N 418.491 5.856 0 1 HKAF CCOC(=O)Cc1ccc2nc(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)[nH]c2c1 587146023 VPIPXGAHBFYORI-UHFFFAOYSA-N 422.887 6.103 0 1 HKAF Cc1ccc2c(ccc3nc(-c4cc(I)ccc4Cl)[nH]c32)n1 587183589 YVOQHLKINRVPLN-UHFFFAOYSA-N 419.653 5.345 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 587234076 WFKTWEKOPLGSAX-CMPLNLGQSA-N 414.731 5.140 0 1 HKAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc4ccccc4cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587239361 JPBHYDNXMSAUFQ-CVBYOTHMSA-N 421.541 5.271 0 1 HKAF C[C@]1(c2c(Cl)ccnc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327706 HDHKBAKCXYDXJF-UWJYYQICSA-N 418.251 5.507 0 1 HKAF CC(C)C[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328944 KYYWLFFYKIUBKB-ILBGXUMGSA-N 424.899 6.485 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(C2CC2)[C@H]1c1ccc(F)cc1 587333577 SYHWGFVKYBYNBB-LADGPHEKSA-N 408.856 5.849 0 1 HKAF COc1cccc([C@]2(C(C)(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587355278 XDFGWMLLXKNDHU-OZXSUGGESA-N 420.480 5.840 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c(Cl)cc(Br)cc31)CC2=O 587458779 UINWXSLOAVGNNH-FQEVSTJZSA-N 421.718 5.568 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(C=C(c3ccccc3)Oc3cc(N)ccc31)CC2=O 587473231 RKCZLJNGRBGDRG-SANMLTNESA-N 413.473 5.221 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccc(OCC=C(C)C)cc1)CC2=O 587476301 BBQKUIXWZTWSDS-SANMLTNESA-N 408.538 6.046 0 1 HKAF O=C1C[C@@H](c2ccc(OCc3cccc(Cl)c3)cc2)Oc2c1ccc1c2CCCC1 587500632 MQJOQWNFJAMKEQ-VWLOTQADSA-N 418.920 6.504 0 1 HKAF O=C1C[C@](c2ccc(Br)cc2F)(C2CC2)Oc2c1ccc1c2CCCC1 587504231 HXLKMXLYTXCGRQ-JOCHJYFZSA-N 415.302 5.738 0 1 HKAF O=C1C[C@@]2(CCCC[C@H]2c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587509973 UVVBKWMTWIRBCV-XUZZJYLKSA-N 414.467 6.646 0 1 HKAF O=C1C[C@@H]([C@@H]2CCCCN2C(=O)OCc2ccccc2)Oc2c1ccc1c2CCCC1 587517490 OCUOXFIXPIUEFO-UPVQGACJSA-N 419.521 5.091 0 1 HKAF O=C1C[C@H](c2ccc(-c3cccc4ccccc34)cc2)Oc2c1ccc1c2CCCC1 587521344 BVAVVXGLWXJGJZ-MUUNZHRXSA-N 404.509 7.092 0 1 HKAF CCCCCOc1ccc([C@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521741 JWJAYMTVQDVQKB-HHHXNRCGSA-N 404.550 6.405 0 1 HKAF CC[C@H](C)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587544090 LMQPGLNMKVDPES-DRPSWDKDSA-N 424.880 5.926 0 1 HKAF COc1cc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587548728 XQIDTYFZEUEPGI-RXVVDRJESA-N 417.244 5.411 0 1 HKAF C[C@]1(c2cc3cc(Cl)ccc3o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552410 RGOYCKYRDHHCGA-NFBKMPQASA-N 406.821 5.669 0 1 HKAF CCOc1ccc(C(C)C)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594360 GYOUFRXHANNLIW-RCZVLFRGSA-N 404.462 5.617 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1CCC(c2ccccc2)CC1 587605433 ZOXNSHGMKOCIQP-ZYHVMROSSA-N 400.474 5.696 0 1 HKAF Cc1ccc(Cl)c2c(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)ccnc12 587656083 AIXIPCWXEJACMB-UHFFFAOYSA-N 415.855 5.702 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2cc(Cl)ccc2Cl)N1 587691276 DRSMNNMHDJPVMW-MGNBDDOMSA-N 417.149 5.887 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2Br)N1 587723951 ZWCKQRXBBURYCX-PWJLMRLQSA-N 417.091 5.113 0 1 HKAF CCC[C@H](CC1(c2nc3ccc(C)c(C)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782110 PUSIHWYMQMBRSQ-JOCHJYFZSA-N 418.581 6.541 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccccc3)cc2)N1 587806375 ADLBRDRAZZJOJV-JLCFBVMHSA-N 412.302 6.004 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C2CCCCC2)N1 587820550 PYGJSWJUTAAOHX-IVZQSRNASA-N 402.351 5.946 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccc(O)cc2)N1 587831894 IJQKWJRPYYZJFY-WHEQGISXSA-N 412.302 5.584 0 1 HKAF CCCOc1cc2nc([C@@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2cc1Br 587931841 UCDWHTKULLOQIZ-QKKBWIMNSA-N 415.331 5.568 0 1 HKAF Cc1nc2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2cc1Br 587949444 GTRFVMLSUURCHW-VAWYXSNFSA-N 406.283 5.992 0 1 HKAF Cc1ccc(NC(=O)C2CCN(C(=O)[C@H](C)c3ccc(CC(C)C)cc3)CC2)cc1 653753995 NFEUFGLHZLMBSR-HXUWFJFHSA-N 406.570 5.174 0 1 HKAF Cc1ccc([C@]2(CCc3ccc(C)c(C)c3)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962911099 ORTGMHFKEZTZTC-BDYUSTAISA-N 417.524 5.226 0 1 HKAF C[C@@]1(c2cc(F)c(F)c(F)c2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962951139 GBSSMZGMFUHNHO-IBGZPJMESA-N 415.377 5.038 0 1 HKAF CC[C@@]1(c2ccc3ccccc3c2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962966817 ANUDYRNCPWGLBO-AVRDEDQJSA-N 401.840 5.024 0 1 HKAF Cc1cccc(CC[C@]2(c3ccc(C)cc3C)c3c(F)cccc3C[C@H]3CCCN32)c1 963104231 HVIFALVDWNGWHH-IRPSRAIASA-N 413.580 6.648 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C[C@@H](C)CC(=O)O)c1ccc(C(C)(C)C)cc1 963243442 SLHGPGVJQKJATI-BALWLHIASA-N 421.625 6.385 0 1 HKAF COc1cccc2cc([C@@H]3NCCc4c3[nH]c3ccc(OCc5ccccc5)cc43)oc12 963818185 SAYLBPKDYGYGFF-SANMLTNESA-N 424.500 5.737 0 1 HKAF C[C@H]1[C@H](/C=C/c2ccc(-c3cccc(F)c3)cn2)[C@@H]2[C@H](CC1(F)F)C(=O)O[C@@H]2C 1772624657 MCFWIZMCCHEXBK-FYLPXYPZSA-N 401.428 5.370 0 1 HKAF CCc1ccc(Nc2cc(NC(=O)Nc3c(Cl)cccc3Cl)ncn2)cc1 1857564975 NGVRPSVYJPDXMJ-UHFFFAOYSA-N 402.285 5.733 0 1 HKAF O=C1[C@@H](c2cccc3ccccc23)Oc2cc3c(cc2N1Cc1ccccc1)OCO3 1857758959 HNIHYZBFBQHXAH-RUZDIDTESA-N 409.441 5.235 0 1 HKAF C[C@@H]1[C@@H]2C3=CC[C@@H]4[C@H](CC[C@@H]5C(C)(C)[C@H](O)CC[C@]54C)[C@]3(C)CC[C@@]2(C)CC[C@H]1C 2356611663 FECFVGBVIVEEFA-ZHQJHRGISA-N 412.702 7.635 0 1 HKAF CN(C)C(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 4211350 VGMQWXSUPWZNOP-JTHBVZDNSA-N 404.897 5.187 0 1 HKAF CCO[C@@H](Cc1ccc(OC/C=C(/c2ccccc2)c2ccc(F)cc2)cc1)C(=O)O 12358211 SNMFWHCQPZSLEZ-NHOMFQCRSA-N 420.480 5.369 0 1 HKAF CC1(C)CCC(C)(C)c2cc3c(cc21)CCc1c(-c2ccc(C(=O)O)cc2)coc1-3 13742716 VNKHPMXFCURIPL-UHFFFAOYSA-N 400.518 6.759 0 1 HKAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC(C)C)[C@H]1c1ccccc1C(F)(F)F 26820413 DCZKYOPFILCJIP-BDBAMQCISA-N 411.420 5.153 0 1 HKAF Cc1c(C(=O)c2ccccc2-c2ccccc2)oc2cc(-c3ccccc3)cc(O)c12 27520870 BJEBREVEPGYENG-UHFFFAOYSA-N 404.465 7.012 0 1 HKAF Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(CCC(N)=O)cc1 28572284 XMDBJCOEZHTTIU-UHFFFAOYSA-N 419.472 5.167 0 1 HKAF Clc1ccc(N2CCN(Cc3ccccc3Br)CC2)cc1Cl 29128131 RDVGJSMPRVFYKY-UHFFFAOYSA-N 400.147 5.078 0 1 HKAF C[C@@H](c1ccccc1)c1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN)ccn23)n1 36161108 YAPYEIATIFADNF-KRWDZBQOSA-N 423.495 5.208 0 1 HKAF O=C(O)c1ccc(C2=NO[C@H](c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)C2)cc1 40405862 IZBQSQPUQNPIOI-IRSWCRBASA-N 417.505 5.424 0 1 HKAF O=C(O)CCc1ccc(-c2ccc(-c3cnc(Nc4cccc(Cl)c4)o3)cc2)cc1 43174257 YDDPAWVKGUSRJR-UHFFFAOYSA-N 418.880 6.423 0 1 HKAF c1ccc2c(c1)c1ccncc1n2CCCCCn1c2ccccc2c2ccncc21 49088077 MRZCXQWEBCLSNO-UHFFFAOYSA-N 404.517 6.563 0 1 HKAF in-vivo CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1ccc(C(F)(F)F)cc1 58602965 JPMKEJBZZZXURM-KRWDZBQOSA-N 406.404 5.010 0 1 HKAF CCOC(=O)c1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1N1CCOCC1 73273826 UWEXRIUBRDXULC-UHFFFAOYSA-N 422.912 5.082 0 1 HKAF CCCCOCCCNc1cncc(Oc2ccc(NCc3ccccc3)cc2)n1 82068570 LXIFABFJKGBDAZ-UHFFFAOYSA-N 406.530 5.500 0 1 HKAF Cc1noc(C)c1-c1ccc2c(Nc3ccccc3C(C)(C)C)c(C(=O)O)cnc2n1 98209511 PTXRSHPWCLHNBN-UHFFFAOYSA-N 416.481 5.641 0 1 HKAF in-vitro CC(=O)OC[C@@H]1[C@@H]2CC[C@H]3CC[C@H]1/C(=C/c1ccc(-c4ccccc4)cc1)CN2C3 100950945 KUMJBZOBGCDDHP-RXCZUPPMSA-N 401.550 5.421 0 1 HKAF CC(C)(C)Cc1c(-c2ccccc2)sc(N)c1C(=O)c1ccc(Cl)cc1Cl 103228494 ZBNYYVBHSMGHBY-UHFFFAOYSA-N 418.389 7.124 0 1 HKAF CCN(Cc1nc2cc(C(F)(F)F)ccc2nc1-c1ccccc1)c1ccc(C)cc1 103266368 ZWRFDNKIXPGMCC-UHFFFAOYSA-N 421.466 6.651 0 1 HKAF C1=N\c2ccc(cc2)/N=C/c2ccc(cc2)OCc2cccc(n2)COc2ccc/1cc2 104528257 DFJXVTZAJCINNC-PSUTYVDASA-N 419.484 6.054 0 1 HKAF CC1=C(C(=O)Nc2ncccc2C)[C@@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N1 104699601 NMHWALIYKBFATR-OAQYLSRUSA-N 419.500 5.612 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCCC(=O)N1Cc1ccc(-c2ccccc2)cc1 167861604 QYACYWJYVVSSHL-HSZRJFAPSA-N 415.533 6.015 0 1 HKAF COC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@@H]1N2CCCCCc1ccccc1 169312665 FZUMFPXNHOWEJA-FQUZAXHOSA-N 409.545 5.348 0 1 HKAF N#Cc1ccc2ncn(C[C@H]3CCC[C@]4(C3)CN(c3cccc(Cl)c3)C(=O)O4)c2c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c1ccc2ccc(Cc3cccc(/C=C/[C@@H](O)[C@]4(C)CCC(=O)O4)c3)cc2c1 299855109 DDVWBHUARBRCNV-VBLMFHAISA-N 400.518 5.463 0 1 HKAF N=c1nc(N2CCC(F)(F)CC2)c2sc(-c3ccc(C(F)(F)F)cc3)cc2[nH]1 473100600 IHPMVTPSEQCHOR-UHFFFAOYSA-N 414.403 5.025 0 1 HKAF CCCCc1ccc(C(=O)c2cc(O)c(-c3cc(Cl)cc(Cl)c3)c(O)c2)cc1 473109839 TTWMJWBAQRNTIS-UHFFFAOYSA-N 415.316 6.645 0 1 HKAF [C-]#[N+]c1ccc(COc2c(C3CCC3)ccc(-c3cnc4c(c3)OCCN4)c2F)cc1 473197843 GYFQWBZHKCPKQG-UHFFFAOYSA-N 415.468 6.089 0 1 HKAF FC(F)(F)c1cc2nc(CCc3cc4ccccc4o3)[nH]c2cc1Br 586904193 SJWUOFCGRAVLAB-UHFFFAOYSA-N 409.205 5.876 0 1 HKAF O=C1c2ccccc2-c2c(Cc3ccccc3)c(-c3ccccc3)nc3ccc(O)c1c23 586990283 ALOWJYYVGWWLHD-UHFFFAOYSA-N 413.476 6.410 0 1 HKAF CCc1ccc(-c2nc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)cs2)cc1 587015962 LIDXOTAQSCYEJL-UHFFFAOYSA-N 413.571 7.067 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3cnc4ccccc4c3[nH]2)C[C@H]2CCCC[C@H]21 587027203 QNDCYPVCUYNZQL-HBGVWJBISA-N 416.550 5.248 0 1 HKAF Fc1cc(Br)cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 587033504 WHZMWGDEMXMQJX-UHFFFAOYSA-N 402.292 5.472 0 1 HKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(Br)c(C)nc2[nH]1 587044918 WMNRMQMRXWWOSB-UHFFFAOYSA-N 417.090 5.020 0 1 HKAF Cc1cc(F)c2[nH]c(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)nc2c1 587082164 FZTFJDOSOTXMOJ-UHFFFAOYSA-N 403.844 6.252 0 1 HKAF Cc1ccc(NC(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(Cl)c1 587104683 WDMAZSZDSVPFFZ-UHFFFAOYSA-N 412.876 5.589 0 1 HKAF C[C@H](c1nc2c(Cl)cnc(Cl)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128537 BLXKPCOQEFOULH-GSVOUGTGSA-N 416.593 5.599 0 1 HKAF Cc1ccc(/C=C/c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1F 587146238 FPMGNMNEXWBICJ-SNAWJCMRSA-N 415.184 5.842 0 1 HKAF Fc1ccc(/C=C/c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(F)c1 587151474 ZZMZOVVQZSWLQQ-DUXPYHPUSA-N 419.147 5.673 0 1 HKAF O=C(Nc1cccc(-c2nc3cccc(Br)c3[nH]2)c1)c1ccc(F)cc1 587162673 HNZIHQCFZAKNMF-UHFFFAOYSA-N 410.246 5.384 0 1 HKAF Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(F)c(F)cc3[nH]2)cc1 587166416 YXZMQPMHOHAZRU-UHFFFAOYSA-N 419.410 5.318 0 1 HKAF COc1c(C)c(O)c(C)c(O)c1-c1nc2cccc3c2c(c1Cc1ccccc1)CC3 587214214 OCMCIXDCYNGASF-UHFFFAOYSA-N 411.501 5.628 0 1 HKAF O=C(N[C@H](c1ccccc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccccc1 587219200 NORWBLRABDACDR-GOSISDBHSA-N 413.374 5.240 0 1 HKAF O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)c1coc2ccccc12 587280975 METQTSKRDUVDHN-UHFFFAOYSA-N 407.351 5.392 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCOc3cc(Cl)ccc32)[C@H]1c1ccc(F)cc1 587331424 PNTOLODQDBMIEO-LADGPHEKSA-N 424.855 5.612 0 1 HKAF CC[C@H](C)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587354607 OFACHRZWADPMIU-JRWZBITLSA-N 404.481 6.319 0 1 HKAF COc1cccc(-c2cc(CC(=O)Nc3cc(C)ccn3)nc3c2oc2ccccc23)c1 587362718 KWUHAHWWASCKAQ-UHFFFAOYSA-N 423.472 5.541 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1ccccc1F 587384414 CULSGIDVZIOEPC-QFIPXVFZSA-N 407.441 5.010 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cc(Cl)cc(Cl)c3)cc1F)O2 587385709 PGYDJSRPKNUJFN-NRFANRHFSA-N 416.279 6.397 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc3c(cc1C)C(C)(C)[C@@H](C)C3(C)C)CC2=O 587491275 VMMKAELSMGSFOT-UULLZXFKSA-N 420.593 6.739 0 1 HKAF Cc1ccc([C@@]2(c3c(F)cccc3F)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587506802 PMWXMDGUMIFBOU-AREMUKBSSA-N 404.456 6.061 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1ccc(Cl)cc1 587544996 FXSHUMCJNWTREV-AUSIDOKSSA-N 418.836 5.139 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCSc1c(F)ccc(F)c12 587573106 XSAKHJFJVHHQHA-GCJKJVERSA-N 412.413 5.023 0 1 HKAF C[C@]1(c2cc(Cl)sc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615530 XZRBIQUVFFIEOZ-HNAYVOBHSA-N 407.274 5.638 0 1 HKAF Cc1ccc([C@@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3c(C)cc(Cl)cc23)cc1 587623865 ANAYXYRPMJBGQP-HXUWFJFHSA-N 424.327 6.975 0 1 HKAF CCCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1NC(=O)OC(C)(C)C 587626080 PFHMVJOHKVCENA-UHFFFAOYSA-N 410.358 6.505 0 1 HKAF CCCOc1ccc(Cl)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587696080 KTOKDHZGWQVAKE-WLRWDXFRSA-N 412.730 5.654 0 1 HKAF CC[C@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587710497 DBZCKGFVYLPUQF-BBATYDOGSA-N 416.256 5.795 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2C(F)(F)F)N1 587710658 GWYNDKFXFILSDG-BCTVWOGZSA-N 406.192 5.370 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cccc2C(F)(F)F)N1 587714151 VFKNPRKOTVLEIO-BCTVWOGZSA-N 422.647 5.884 0 1 HKAF FC(F)(F)c1cc(Br)cc2nc(COC/C=C/c3ccccc3)[nH]c12 587781387 USNQAZLGKXBHJX-QPJJXVBHSA-N 411.221 5.574 0 1 HKAF COc1nccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 587784947 WPWCQLPUBBSKCE-UHFFFAOYSA-N 421.500 5.803 0 1 HKAF CC(C)c1cc([C@@]2(C(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587822761 QYOLDODHNUYPHZ-JLCFBVMHSA-N 420.366 5.851 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2/CCCO2)(c2ccccc2)N1 587836881 YJUNQEJLHDNIOV-VBGFEGBESA-N 402.307 5.060 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccsc3)cc2)N1 587855352 VBTSARUFVREHKR-MPBGBICISA-N 402.332 5.940 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc2ccccc2c1 587858333 FHTJBZHLRFTUEO-UHFFFAOYSA-N 411.288 6.097 0 1 HKAF COc1cccc([C@@H](C)Cc2nc3cc(Br)c(Br)cc3[nH]2)c1 587930579 KGRCDFNFBMJMQK-JTQLQIEISA-N 424.136 5.443 0 1 HKAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(F)c(Br)c3[nH]2)cc1 587931544 AKMLCPDSMIUELC-SFHVURJKSA-N 411.274 5.653 0 1 HKAF CCOc1cc(CC(C)=O)c(OCC)n1CCOc1cc(C)c(Cl)cc1C(C)C 587943409 ZRRBVVKJJMZBRC-UHFFFAOYSA-N 421.965 5.581 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccnc(N)c2[nH]1 587958166 BFFRMQOVKBDPID-RCHUDCCISA-N 418.629 7.394 0 1 HKAF CCC[C@@]1(c2c(C)c3ccccc3n2C)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962573472 SBHIQNKFFACINH-QLXKLKPCSA-N 406.570 5.424 0 1 HKAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@@H]2c1ccn(C2CCCC2)c1 962958658 OWQUSHHFDQKQJK-OAQYLSRUSA-N 404.476 5.363 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(C)c(C)n(-c3ccc(OC)cc3)c2C)N1 962962746 YJPJQLDEYUIPGI-WINIVTDRSA-N 413.565 5.906 0 1 HKAF Cc1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2[C@H]1CC[C@H](O)CC1 1772585600 BMZOMVWNQVOUHM-QAQDUYKDSA-N 417.431 5.092 0 1 HKAF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](OC)CC[C@]4(C)[C@H]3CC[C@@]21C 1772632103 NNSQLMYVCSICIT-LBSADWJPSA-N 420.634 5.220 0 1 HKAF Cc1cc(=O)oc2c(COC(=O)c3ccc(C(C)(C)C)cc3)c(OC(C)C)ccc12 1857556170 KDDSLKXUWYKXTJ-UHFFFAOYSA-N 408.494 5.543 0 1 HKAF C[C@@H]1CCCN(CCCCCCOc2ccc3c(c2)C(=O)C[C@@H](c2ccccc2)O3)C1 1857604598 HMZBNISOSPDRAV-ZBLYBZFDSA-N 421.581 6.064 0 1 HKAF CC(=O)NC1=C(c2cccc3ccccc23)Oc2cc3ccccc3cc2-n2cccc21 1857612838 AFDDQEUOPWRKBY-UHFFFAOYSA-N 416.480 6.138 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356403373 HGGDUZQCHPXQPL-NEJTXJOISA-N 414.674 6.382 0 1 HKAF C[C@H](CCC(=O)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@]35CC[C@]12C 2356532037 PKCLZUICYHOWNR-PHBCBQHVSA-N 414.630 6.496 0 1 HKAF O=C(Nc1cccc(Oc2ccccc2)c1)[C@H]1Cc2c(-c3ccccc3)ccnc2O1 61895443 XTTWITFXQLZRRW-XMMPIXPASA-N 408.457 5.483 0 3 HKAF C[C@@H](Oc1ccc2c(c1)OC[C@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 3786477 ZMUMGTCKRJQJMD-FHLBMDLUSA-N 412.489 5.055 0 1 HKAF CN(C)C(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 4211347 VGMQWXSUPWZNOP-GGAORHGYSA-N 404.897 5.187 0 1 HKAF COc1cc2ncnc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OC(C)C 13490851 UAXJUEQRNCZALO-UHFFFAOYSA-N 406.511 5.601 0 1 HKAF CN(C)c1ccccc1C[S@](=O)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 13746239 DMUFGMAFHRKMNH-GDLZYMKVSA-N 401.535 5.118 0 1 HKAF C[C@@H]1CC=C[C@@H]2[C@@H](c3ccc(-c4ccoc4)cc3F)N(Cc3ccccc3)C(=O)[C@@H]21 13830378 MSAYVNPLYDDUJO-WRWCPAJBSA-N 401.481 5.998 0 1 HKAF FC(F)(F)c1cc(CC[C@@H]2OCCN[C@@H]2c2ccccc2)cc(C(F)(F)F)c1 13904374 SRIOHIXTSHGWLJ-ZWKOTPCHSA-N 403.366 5.387 0 1 HKAF CC1(C)CC(C)(C)c2cc(/C(=C/c3ccc(C(=O)O)cc3)C(F)(F)F)ccc2S1 27436615 SYIQGBTULWYEQG-BOPFTXTBSA-N 420.496 7.040 0 1 HKAF CN1CCN(CCCCOc2ccccc2/C=C/c2ccc(Cl)c(Cl)c2)CC1 27728124 IVBJSKAJISAJDU-CSKARUKUSA-N 419.396 5.570 0 1 HKAF Cc1cc(SC[C@H](C)COc2ccc(C(F)(F)F)cc2)ccc1OCC(=O)O 28704691 PBXINEIAHPXNFF-CYBMUJFWSA-N 414.445 5.284 0 1 HKAF O=C(Nc1cccc2cnccc12)N[C@H]1CCc2cc(O)ccc2[C@@H]1Cc1ccccc1 28959363 UFYQTAFLSSXIDE-AHWVRZQESA-N 423.516 5.403 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 33821000 QPBQHJHJWKEDIJ-VXDUQTSPSA-N 418.662 5.618 0 1 HKAF CC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(OC(F)(F)F)cc1 34238674 WDLMKHXRERHSHI-UHFFFAOYSA-N 416.439 6.872 0 1 HKAF CCCCc1nc(Cl)c(C=O)n1Cc1ccc(-c2ccccc2C(=O)OC)cc1 34721534 ZEIYIMNVNSHBSP-UHFFFAOYSA-N 410.901 5.194 0 1 HKAF N[C@@H]1CC[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 38239482 OGWFIIQUFKCEMC-RTBURBONSA-N 417.393 5.690 0 1 HKAF CC(C)n1c(-c2ccc(OC(F)(F)F)cc2)nnc1C1(c2ccc(F)cc2)CC1 39111147 BDLBQEJTZWWSND-UHFFFAOYSA-N 405.395 5.644 0 1 HKAF in-vitro O=C(S[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccccc1Cl 39233081 XOXXLPSMUYGTLG-QGZVFWFLSA-N 411.741 6.158 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC=C2c1ccnn1-c1ccccc1 58609520 MEYBRQJIPYRMAI-LMHMIWLSSA-N 414.593 6.189 0 1 HKAF Brc1ccc([C@@]2(CC3CCCCC3)c3ccccc3-c3nccn32)cc1 72112283 SWDXKJHVVQLTJG-QHCPKHFHSA-N 407.355 6.388 0 1 HKAF FC(F)(F)Oc1cccc(-c2nnc3ccc(-c4cncc5ccccc45)cn23)c1 82082245 LAKOFQXGXGTURZ-UHFFFAOYSA-N 406.367 5.510 0 1 HKAF CCCCCn1c(-c2ccc(C)o2)nc2c(NCCc3cccc(F)c3)ncnc21 82179610 UIJABPGHVHRFMJ-UHFFFAOYSA-N 407.493 5.379 0 1 HKAF O=C(Nc1ccc2cc(CN3CCCC3)cnc2c1)c1ccc(-c2ccccc2)nc1 84651837 PMXRYNHUXSHQES-UHFFFAOYSA-N 408.505 5.145 0 1 HKAF Cc1c(NC(=O)CCCCc2ccc(F)cc2)ccc2cc(CN3CCCC3)cnc12 84671665 USBRYOLVHLYFPX-UHFFFAOYSA-N 419.544 5.630 0 1 HKAF CC(C)=CCOc1c(C)cc(O)c(C(=O)c2c(O)ccc(CC=C(C)C)c2O)c1C=O 87528906 QWHCHTQFNUBXEK-UHFFFAOYSA-N 424.493 5.009 0 1 HKAF in-vitro CCCCCCC(C)(C)c1cc(OC)c2cc(Cc3ccccc3OC)c(=O)oc2c1 95578671 LLUZGJRVXAFKKI-UHFFFAOYSA-N 422.565 6.649 0 1 HKAF O=C(Nc1cccc2cccnc12)c1ccc(N2C[C@H](c3ccccc3)CC2=O)cc1 96909091 IZOKTXQAWGRXBN-OAQYLSRUSA-N 407.473 5.008 0 1 HKAF Fc1cccc(F)c1[C@H]1CC(c2ccccc2)=NN1c1nc(-c2cccnc2)cs1 98084617 QIKVUGDKNAGNSN-OAQYLSRUSA-N 418.472 5.839 0 1 HKAF CCCCN(C(C)=O)c1ccc2c(c1)[C@@H]1C[C@@H]2CCN1C(=O)OCc1ccccc1 100589429 GLIXECOSZKZGEU-RDPSFJRHSA-N 406.526 5.411 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCCC(=O)N1Cc1cncc(-c2ccccc2)c1 167867132 QMOSTGZMFUOTAK-QFIPXVFZSA-N 416.521 5.410 0 1 HKAF COc1ccccc1C(=O)O[C@H]1CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C 169342816 CEXSQQAQLHUYPO-QDWSTLINSA-N 400.603 6.899 0 1 HKAF O=C(Nc1ccc2cccnc2c1)c1ccc(-c2ccccc2)c(CN2CCCCC2)c1 201766674 DCGHAOQEKLEBHP-UHFFFAOYSA-N 421.544 6.140 0 1 HKAF O=C(c1cc2ccccc2[nH]1)c1ncc(-c2c[nH]c3cc(Br)ccc23)[nH]1 238752422 BXPMBJRTYOTYKH-UHFFFAOYSA-N 405.255 5.033 0 1 HKAF Cc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(-c4ccc5cnn(C)c5c4)cc23)c1 261093739 DXWCSJVPVLDOPH-UHFFFAOYSA-N 421.504 5.248 0 1 HKAF c1cnc(O[C@H]2CC[C@H](Nc3nc4ccccc4s3)CC2)c(C2CCOCC2)c1 261148804 OKZBLGFVGYBKQM-IYARVYRRSA-N 409.555 5.387 0 1 HKAF C[C@H](CO)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 261497564 OQIJRBFRXGIHMI-AKYBVSBUSA-N 420.678 5.412 0 1 HKAF endogenous,in-man CC1(C)CC[C@@H]2O[C@]2(C)[C@@H]1/C=C/c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992073 SGGVFQCVMVVBEL-PHFDKCGZSA-N 411.501 5.759 0 1 HKAF Cc1ccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2c1C 587007322 HGGQOOORBAQUNK-UHFFFAOYSA-N 424.298 5.378 0 1 HKAF CC(C)Oc1ccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2c1 587049209 IXQGZORANKDDJR-UHFFFAOYSA-N 412.920 7.491 0 1 HKAF CC(C)(C)c1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2n1 587056307 LLYFRFNWSMXAJQ-UHFFFAOYSA-N 416.308 6.401 0 1 HKAF Cc1ccc2c(ccc3nc([C@@H]4[C@H](/C=C(\Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c32)n1 587071929 NSOQTQRQTPIJKE-MPWLMCFTSA-N 422.359 7.092 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 587075870 NUEGENYXVZGELU-UHFFFAOYSA-N 423.101 5.188 0 1 HKAF CC(C)Oc1cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2cc1Br 587084904 IXEGPGJWIGMUHE-UHFFFAOYSA-N 416.706 5.981 0 1 HKAF Fc1cc2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc2cc1Br 587092247 UEBWQCKVQKPCCV-UHFFFAOYSA-N 406.202 5.181 0 1 HKAF CC(C)(C)OC(=O)N1CCCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 587105522 CGNXVLMQULFWQV-UHFFFAOYSA-N 400.478 5.130 0 1 HKAF CC(C)[C@H](c1nc2ccc(OCc3ccccc3)cc2[nH]1)N(C)C(=O)OC(C)(C)C 587197579 IRIICDYFKNLGTE-OAQYLSRUSA-N 409.530 5.706 0 1 HKAF CC1(C)[C@H]2CC[C@]3(C2)[C@H]1c1nc2cccc4c2c(c1CC3(C)C)-c1ccccc1C4=O 587208033 QDVNNUUPLMYJGZ-GIRFUXSRSA-N 407.557 6.938 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@@H]1CC[C@@H]2O 587216264 YAKHNLKNFDSTPW-XNIGULMWSA-N 401.594 5.652 0 1 HKAF C=CC(=O)Nc1ccc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)cc1 587243642 HJAMKNCNIVXTEP-UHFFFAOYSA-N 410.193 5.136 0 1 HKAF C[C@@]1(c2ccc3nc(O)sc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587374726 PSBRLYOTGGPZAW-REWPJTCUSA-N 421.449 5.121 0 1 HKAF COC(=O)c1cc(-c2cccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)ccc1F 587380996 DUNGPNKUMWMGIX-VWLOTQADSA-N 419.452 5.051 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(-c3ccc(C(F)(F)F)cc3)nc1C)O2 587383296 RVAXSUAJOXTOEG-QGZVFWFLSA-N 418.440 5.734 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc(C(F)(F)F)c4)s1)[C@@H](C2)C3=O 587421438 KWGXKBMAMWNSCV-BTYIYWSLSA-N 416.420 5.931 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)c2ccc(Br)cc21 587457602 LDWHDWMXHCQRHE-QFIPXVFZSA-N 415.327 5.649 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC(C)C)(c1cccc(Br)c1)CC2=O 587457970 OWGVSSVDMKKNEN-JOCHJYFZSA-N 417.343 6.014 0 1 HKAF Cc1ccc(Cl)c2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C(C)(C)C)[nH]c12 587496993 DEYZPMKRYFISPB-FQEVSTJZSA-N 421.968 7.013 0 1 HKAF CC(C)Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587503510 OPVVJTUFRKHCGA-OAQYLSRUSA-N 415.327 5.822 0 1 HKAF COC(=O)c1ccccc1-c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587534753 YBBUEWAIPOJMJN-QHCPKHFHSA-N 402.446 5.319 0 1 HKAF CC[C@]1(c2cc(F)c(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587556382 JMVVJAGCTZCNGB-XMSQKQJNSA-N 400.352 5.077 0 1 HKAF O=C(c1csc2ccccc12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656283 FHHPETFJNAPHBC-UHFFFAOYSA-N 418.424 5.245 0 1 HKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1Cc1ccccc1Br 587657495 WHYYAZGYPYWADQ-UHFFFAOYSA-N 409.258 5.013 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C(=C/N(C)C)c2ccc(Cl)cc2)N1 587695651 BYGQHYWQRWDWCF-VQLXTHHLSA-N 423.757 5.420 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)cc2Cl)N1 587713125 RQWHEVSMMVOCBG-PWJLMRLQSA-N 422.647 5.884 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC=C(c3ccc(F)cc3)CC2)N1 587732856 KGCMWTUVZAUHNK-ASSNKEHSSA-N 404.298 5.724 0 1 HKAF Cc1c(Br)cnc2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc12 587783924 JIGMUKYOHHUQKY-XFXZXTDPSA-N 420.310 5.778 0 1 HKAF CCOc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC 587799707 BXGBVKAQSSMPCB-LRTDBIEQSA-N 422.338 5.183 0 1 HKAF Cc1cc(C)c2[nH]c3c(c2c1)CC[C@@]31N[C@@H](C)Cc2ccc(F)c(Br)c21 587803334 PDJRWHJPXPVURS-XMHCIUCPSA-N 413.334 5.410 0 1 HKAF CC[C@]1(C23CC4CC(CC(C4)C2)C3)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814682 IBPLOYVMWHQDDI-OXLVUPRKSA-N 406.383 5.944 0 1 HKAF COc1ccc2oc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C)c2c1 587828159 MPKPCBLMDRRUIA-WIUDPPPLSA-N 418.306 5.449 0 1 HKAF COc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 587829427 QZVSJBYQQXEJKC-GTJPDFRWSA-N 416.290 5.480 0 1 HKAF Cc1c(Br)csc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587842126 DDKBFVADSNBMDK-UOWDBTKRSA-N 419.157 5.344 0 1 HKAF CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(C)c2ccsc2CCN1Cc1ccco1 962709056 QRODEIORMIFAJP-KNQAVFIVSA-N 402.560 5.014 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1cnccc1C)c1ccc(OC)cc1OC 963237923 HJBYQODMOQRRID-NFQMXDRXSA-N 416.565 5.356 0 1 HKAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(C)CCc1ccco1 963914572 HXFPYBNPWCWUNH-HOYKHHGWSA-N 413.514 5.073 0 1 HKAF N[C@@H](c1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1)C(F)(F)F 1772645376 XHALKFXCGPWDMN-INIZCTEOSA-N 412.337 5.468 0 1 HKAF C[C@](O)(CSc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 1857596663 RJOFKWHKTZPGDU-INIZCTEOSA-N 423.378 5.206 0 1 HKAF CC(C)CC[C@H](O)[C@](C)(O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 1857742877 LMMRHWWBNFVJIU-QCYZZNICSA-N 404.679 6.584 0 1 HKAF C[C@@H]1CC[C@H](O)CC1=CC=C1CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)C[C@@H](O)CC(C)(C)O 2356625749 YIXWXJZATQCQEC-GNGCTISESA-N 418.662 5.785 0 1 HKAF CC(=CCN1CN(C)c2ncnc(N)c21)CC[C@]1(C)[C@H](C)CC=C2C(C)=CCC[C@@H]21 2356842141 MLECYASLDLXTON-FZOAFFARSA-N 407.606 5.328 0 1 HKAF COc1cc(O)cc(O)c1C(=O)[C@@H]1CC(CCC=C(C)C)=CC[C@H]1c1ccccc1 13410535 LPKJICQWVHIRIV-FCHUYYIVSA-N 406.522 6.156 0 1 HKAF biogenic COc1ccc2c(c1CC=C(C)C)O[C@H]1c3cc(CC=C(C)C)c(O)cc3OC[C@@H]21 15203463 OFTVQUQKDYNGED-LVXARBLLSA-N 406.522 6.028 0 1 HKAF biogenic CCO[P@@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCN(C)C1=O 26280842 ATFHUMWBHXCKKS-MHZLTWQESA-N 415.455 5.060 0 1 HKAF C[C@H](NC(=S)Nc1ccc(NC(=O)c2ccccc2F)cc1)c1ccc(F)cc1 28362969 IVSFAYVOGHVSMI-AWEZNQCLSA-N 411.477 5.265 0 1 HKAF CN(CCOc1ccc(-c2ccccc2)cc1-c1cccc2ccccc12)CC(=O)O 28958370 JRERJBSYQWBMBQ-UHFFFAOYSA-N 411.501 5.569 0 1 HKAF CCCN(CCC)C(=O)Cc1c(-c2ccc(N)cc2)nc2c(Cl)cc(Cl)cn12 40420645 FAPAJJYJFMJOFW-UHFFFAOYSA-N 419.356 5.081 0 1 HKAF Cc1cc(S(=O)(=O)Nc2cccc3ccccc23)c2c(C)ccc(C(C)C)cc1-2 72123127 SXAHGLJCZQIYTM-UHFFFAOYSA-N 403.547 6.486 0 1 HKAF OCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c21 73169034 YYNUBPUXFJKWOK-UHFFFAOYSA-N 415.280 5.266 0 1 HKAF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccc(F)cc1 82136268 IZJXWRGQHRCHRS-HTAPYJJXSA-N 424.564 5.583 0 1 HKAF Cc1cnc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(F)cc2)o1 82165078 LFCADEPFFJTKPU-UHFFFAOYSA-N 408.864 5.554 0 1 HKAF CCN(C)c1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2cccc(C)c2)n1 82174011 WFXMWPFHNXKTSF-UHFFFAOYSA-N 416.550 5.707 0 1 HKAF CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@H]4C(=CC[C@H]5C(C)(C)CCC[C@@]54C)[C@@]3(C)CC[C@]12C 85506046 NYHSEYGDWZMIEZ-YGQXTZRHSA-N 410.730 9.054 0 1 HKAF CCn1c2cc(OCc3ccccc3)ccc2c2cc[n+](Cc3ccccc3)c(C)c21 95593168 BXXZZUHTAPHYON-UHFFFAOYSA-N 407.537 6.038 0 1 HKAF C[C@@H](Oc1c(N)ncc2c(-c3ccccn3)coc12)c1c(Cl)ccc(F)c1Cl 96273056 WMYJJXXLUNFXEG-SNVBAGLBSA-N 418.255 6.058 0 1 HKAF Cc1ccc(CSc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)cc1 96939324 OLHIROMWAFCUAW-UHFFFAOYSA-N 418.670 7.869 0 1 HKAF OC1=C2C(=Nc3nc(SCc4ccccc4F)nn3[C@H]2c2cccc(F)c2)CCC1 100704537 RFTQYJWPFLCXFV-FQEVSTJZSA-N 424.476 5.520 0 1 HKAF COC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@H]1c1cccc(Oc2ccccc2)c1 103232685 ZPNSPRXLLHTERY-SANMLTNESA-N 422.480 6.603 0 1 HKAF COc1ccc(-c2cncc3nc4ccc(-c5ccc(NC(C)=O)cc5)cc4n23)cc1 103266979 KJRYYASIOLRFER-UHFFFAOYSA-N 408.461 5.184 0 1 HKAF Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2nnc(-c3ccc(C)cc3)o2)cc1 103277314 VBWFDQMFESHIGA-DTQAZKPQSA-N 420.472 5.223 0 1 HKAF CC(C)(C)OC[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 117089447 ZETBTORGEBHQKV-BUXKBTBVSA-N 404.856 5.853 0 1 HKAF Cc1c(C2CC2)nc2ccc(-n3ccc4oc(-c5ccc(Cl)cc5)cc4c3=O)cn12 205841236 FBRSISPMXWGFQN-UHFFFAOYSA-N 415.880 5.738 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3C[C@H](O)[C@@H]4C[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C 255286490 YYVUMXYSCXRWIL-XMNHCXMWSA-N 416.690 6.584 0 1 HKAF FC(F)(F)c1c(Br)ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c12 586885269 LTIGLWDFCVCOKY-XIKOKIGWSA-N 407.233 5.716 0 1 HKAF CC(C)(C)c1ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c1 587015950 ZYTJTSULLKRRNC-UHFFFAOYSA-N 402.350 6.958 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(CNc4ccccc4Cl)[nH]c3c2)cc1 587062229 ONUVTWWECCWNMT-UHFFFAOYSA-N 407.857 5.407 0 1 HKAF COc1cc(Cl)ccc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587066008 DIHABFSZCWZLFE-UHFFFAOYSA-N 421.600 5.553 0 1 HKAF Cc1c(Br)cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1C 587071888 UIUXXBZRJOBSQO-UHFFFAOYSA-N 401.695 5.653 0 1 HKAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587081158 WKOJYKSSLZANCA-ZDUSSCGKSA-N 413.230 5.612 0 1 HKAF COc1ccc(Cl)cc1-c1nc2cccc3c2c(c1C(C)C)-c1ccccc1C3=O 587103774 LFRQVMLUJPDOGL-UHFFFAOYSA-N 413.904 6.899 0 1 HKAF FC(F)(F)c1cc(-c2nc3ccc(Br)cc3[nH]2)c(Br)cn1 587114469 AKTLMTFSYGCGTR-UHFFFAOYSA-N 421.014 5.169 0 1 HKAF Cc1cc(Br)cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 587116142 PPEIRKYZKFVPKG-UHFFFAOYSA-N 407.193 5.263 0 1 HKAF Cc1cc(Br)c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1F 587137889 QSBLDQNNCAHVMH-UHFFFAOYSA-N 420.026 5.481 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(Cl)c1 587159900 XVTKJPRAGIGCOP-LJQANCHMSA-N 423.221 6.455 0 1 HKAF O=C(O)[C@@H](c1cccc(F)c1)c1c(-c2ccc(Cl)cc2)nc2cccc3c2c1CC3 587213102 ODNFWWFKQUEQJK-QFIPXVFZSA-N 417.867 6.009 0 1 HKAF COc1ccccc1Nc1ccccc1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587240032 FLDWTQXCIUSJJE-UHFFFAOYSA-N 419.484 6.213 0 1 HKAF Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2ccccc12 587350835 HDGUDPJXTQBFLF-WIOPSUGQSA-N 402.421 5.860 0 1 HKAF CCC[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353492 QTJHNLSQVJTQOM-ZCYQVOJMSA-N 406.453 5.594 0 1 HKAF COc1cccc(-c2c(C)c(-c3c(F)ccc(F)c3F)nc3c2oc2ccccc23)c1 587360985 SYPSZJGOLRQPOC-UHFFFAOYSA-N 419.402 7.049 0 1 HKAF CCOC(=O)[C@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@H]1C 587363015 OOPHREHUNUINPB-YJBOKZPZSA-N 415.489 5.886 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(Cl)cc3)nc3ccccn13)O2 587380227 RALFCYVKHFQXIL-IBGZPJMESA-N 403.869 5.252 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(COc4ccc(C(C)C)cc4)o1)[C@@H](C2)C3=O 587451983 CJEUIGDBISQEPO-CPJSRVTESA-N 404.462 5.479 0 1 HKAF O=C1C[C@@](c2cc(Cl)ccc2Cl)([C@H]2CCOC2)Oc2c1ccc1c2CCCC1 587502630 DBADIWIQXVODAW-WNSKOXEYSA-N 417.332 5.769 0 1 HKAF C[C@@]1(c2ccc(Oc3ccc(Cl)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587503583 VHYBKQASGWOXOK-SANMLTNESA-N 418.920 6.892 0 1 HKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(C(F)(F)F)cc(Cl)cc12 587510586 WEDFPOHWOYWDMX-FQEVSTJZSA-N 421.802 5.050 0 1 HKAF CC(C)(C)c1ccc(-c2cnc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587513133 AYPZXHVQVBSREW-JOCHJYFZSA-N 401.506 6.224 0 1 HKAF CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CC1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587518273 DPPLLVZHWVLYOJ-ROUUACIJSA-N 411.542 5.221 0 1 HKAF CCC[C@@H]1C(=O)N2CCCc3cccc(c32)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587521069 ACUGZDZSPBTVDX-AMGIVPHBSA-N 415.533 5.135 0 1 HKAF COc1cc(C)c(Cl)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542972 KGPBMYBNIWMESO-XXBNENTESA-N 410.853 5.374 0 1 HKAF CC[C@]1(c2cc(Cl)ccc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548837 QVACNNOZMSXNOU-NFBKMPQASA-N 410.853 5.321 0 1 HKAF Cc1ccc(OC(F)F)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587555392 KTUUKNDPTOGEQN-WMZHIEFXSA-N 412.388 5.179 0 1 HKAF Cc1c(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c(C)c1C=O 587604615 XKVGTWPVVSVANY-RDGATRHJSA-N 402.446 5.141 0 1 HKAF O=C(CCCc1cccs1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658236 MNCFQJBEJDRYON-UHFFFAOYSA-N 410.445 5.066 0 1 HKAF COc1ccccc1-n1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587753150 IDLOUFPEBJAXRL-ASSNKEHSSA-N 415.306 5.011 0 1 HKAF CCC[C@H](CC1(c2nc3ccc(OC)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782747 XLELWZHBYORHAX-HXUWFJFHSA-N 420.553 5.933 0 1 HKAF COc1ccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(OC)c1C 587788318 XNFTYKAPOBFLQA-UHFFFAOYSA-N 415.209 5.337 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2C2CCCCC2)N1 587821063 SRQUXPNWIIUKJG-FPTDNZKUSA-N 402.351 6.260 0 1 HKAF CC(C)c1ccc(C[C@@H](C)[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587821964 YZTCPPKOONHIQE-DOQJBMMISA-N 404.367 6.166 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1ccccc1CC 587866340 BAKOWNMZNHJGGJ-UHFFFAOYSA-N 419.472 5.775 0 1 HKAF CC(C)N1CCC2(CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1 618017651 UQZAKUSINDCIFN-UHFFFAOYSA-N 405.561 6.065 0 1 HKAF COc1ccc2c(c1OC)[C@](CC(=O)c1ccc(C)cc1)(C(C)(C)C)N(C)[C@H](C)C2 962574347 ULPLOEPOEMQKAS-WXTAPIANSA-N 409.570 5.403 0 1 HKAF O=C1c2ccccc2[C@@]2(NCCc3cccc(-c4ccccc4)c32)c2cc(Cl)ccc21 962666205 LIJNQKDMOBIUIO-MUUNZHRXSA-N 421.927 5.989 0 1 HKAF CCCCCC[C@@]1(c2cccc(OC)c2)c2ccsc2CCN1Cc1ccco1 962701049 CSXPJWYJMXHJQE-RUZDIDTESA-N 409.595 6.622 0 1 HKAF Cc1cccc([C@]2(c3cccc(C)c3C)c3ccsc3CCN2Cc2ccco2)n1 962705196 KKVRWRKQOWOFMF-SANMLTNESA-N 414.574 6.012 0 1 HKAF Fc1cccc2c1[C@@](c1ccccc1)(c1cccc(Br)c1)N1CCC[C@H]1C2 963089386 HBFUIUHERXYLKS-XUZZJYLKSA-N 422.341 5.901 0 1 HKAF CCOC(=O)CCCC[C@]1(c2ccc(F)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963112554 TZOGKKPMNLGSLX-DHLKQENFSA-N 413.508 5.352 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCc1cccc(F)c1)c1ccc(F)cc1F 963233787 DGMCWOGLQJKKCJ-PPHZAIPVSA-N 423.522 6.637 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CCC[C@@H]1c1ccc(Cl)c(Cl)c1 963610391 OZFHIKCWTKNVGX-IATAILRESA-N 406.353 5.708 0 1 HKAF CC1=C[C@@H]2Cc3[nH]c4cc(Cl)ccc4c(=NCc4ccc(CN)cc4)c3[C@H](C1)C2 1772632357 HMUIFKGWZQCMHX-RBUKOAKNSA-N 403.957 5.377 0 1 HKAF Cc1ccc2nc(NC(=O)c3cccc(C(F)(F)F)c3)n([C@H]3CC[C@H](O)CC3)c2c1 1772632629 SMLJZTPPSWWMDY-QAQDUYKDSA-N 417.431 5.092 0 1 HKAF CC(C)(C)c1nc(Nc2ccccc2Cl)sc1Cc1ccc2c(c1)OCO2 1772650464 CWFMPZXUQOYYRU-UHFFFAOYSA-N 400.931 6.157 0 1 HKAF CC(C)CN1[C@H](c2ccc(/C=C/C(=O)O)cc2)c2ccc3n[nH]cc3c2CC1(C)C 1857616797 LHDGCEHIRUJNTD-KGUVVTLUSA-N 403.526 5.043 0 1 HKAF COc1cc(-c2ccc[nH]2)[nH]c1C1=C2N=C3C=C2[C@@H](C(C)C)[C@H]1CCCCCCCC3 2356328494 WFQBWWYLMSACAV-DVECYGJZSA-N 417.597 7.147 0 1 HKAF CC(C)=C[C@@H]1C[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4Cc5c([nH]c6ccccc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c1ccoc1 2356699489 VSFOZPUOGJXMFT-VRIJDZSUSA-N 402.575 5.815 0 1 HKAF Cc1ccc(N/C(=C(/C(Cl)=C(Cl)Cl)[N+](=O)[O-])n2nnc3ccccc32)cc1 1860571 FYPAPDAUYCGJPT-BMRADRMJSA-N 424.675 5.140 0 1 HKAF COc1c(-c2c(C)cc(OC)c3c(OC)cccc23)c(O)cc2c1[C@@H](C)N[C@H](C)C2 13359035 RPYYNECGOSGRFR-HUUCEWRRSA-N 407.510 5.142 0 1 HKAF biogenic COc1ccc(-c2ccc(C(N)=O)cc2)cc1OC1(CCCc2ccccc2)CC1 13745215 ABOVHIQAIMIWEV-UHFFFAOYSA-N 401.506 5.395 0 1 HKAF CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3cc(F)ccc3n2)c1)C(=O)O 28093973 NRQPBWTZSUTFDI-UHFFFAOYSA-N 424.472 5.173 0 1 HKAF CSc1sc(C(=N)N)cc1-c1nc(-c2cccc(Br)c2)cs1 28770640 BAGRENDRQWTDGR-UHFFFAOYSA-N 410.387 5.307 0 1 HKAF COc1cccc([C@@H]2N=NC(C3=C(O)c4ccccc4C3=O)=C[C@@H]2c2ccccc2)c1 34133099 XRUPTUVYTZURRN-QPPBQGQZSA-N 408.457 6.035 0 1 HKAF biogenic CC(=O)O[C@H](CO)COC(=O)C[C@H](C)CCC1=C(C)CC[C@@H]2C(C)(C)CCC[C@@]12C 34467018 MQEDAJQYZPRNAZ-KJFBJOSPSA-N 422.606 5.203 0 1 HKAF biogenic O=S(=O)(Nc1nc2ccccc2s1)c1ccc(-c2ccc(Cl)cc2)cc1 43065791 SQMWANCXQSMWMZ-UHFFFAOYSA-N 400.912 5.418 0 1 HKAF CC(C)(C)c1ccc2[nH]c(-c3ccc(C(=O)NCCCc4ccccc4)cc3)nc2c1 45303183 XWGHJASJJTVMOB-UHFFFAOYSA-N 411.549 5.890 0 1 HKAF O[C@](c1cccc(Cl)c1)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F 49111492 WZPSKTKKWMYXCL-HXUWFJFHSA-N 420.793 5.616 0 1 HKAF CCN(CC)C(=S)S[C@@H](CC(=O)c1ccc(OC)cc1)c1ccccc1Cl 49799673 RTERRCGSIUCOGB-FQEVSTJZSA-N 422.015 6.023 0 1 HKAF Cc1cccc(-c2nc(NCC3CCCCC3)ncc2C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 82146243 LJPVHCIJPYPZPV-PMACEKPBSA-N 420.601 5.562 0 1 HKAF CCOP(=O)(OCC)[C@H](Cc1cccc(C)c1)c1sc2ccccc2c1C 84635102 IOLMGELFICNBDC-HXUWFJFHSA-N 402.496 7.068 0 1 HKAF CCCn1c2cc(OCc3ccccc3)ccc2c2cc[n+](Cc3ccccc3)c(C)c21 95556463 DLODUNXEIAIMDB-UHFFFAOYSA-N 421.564 6.428 0 1 HKAF O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2ccc(-c3ccco3)cc2)C1 96272155 IJYLNGSGWCJSNT-GOSISDBHSA-N 408.885 5.091 0 1 HKAF CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 103200558 QUHKZSAOAMETNC-IBGZPJMESA-N 417.267 6.090 0 1 HKAF CCOc1cccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2C)c1 103872663 UBYWTEBDAGVKSW-XMMPIXPASA-N 416.521 5.841 0 1 HKAF CCOC(=O)[C@@](C)(Cc1ccccc1)c1ccnc2c(-c3cccc(Cl)c3)cnn12 115655933 AANQFGKCUNPFMY-DEOSSOPVSA-N 419.912 5.113 0 1 HKAF COc1cncc(OC)c1[C@H]1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1 167187485 RZIWRUCHHJWXCX-LJQANCHMSA-N 416.477 5.252 0 1 HKAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2ccccc2)c1 167411162 FWSUADRGLVSKNN-AVRDEDQJSA-N 401.506 5.481 0 1 HKAF CC(C)=CCC/C(C)=C/C=C/C1=C[C@]2(C)C[C@]1(C)[C@@H](/C=C(\C)CCC=C(C)C)CC2=O 169301708 XWYRFBXKAWNVEG-GHLFAMSGSA-N 420.681 8.860 0 1 HKAF CCNC[C@H](O)COc1c(C(C)(C)C)cc(/C=C/c2ccccc2)cc1C(C)(C)C 169315713 LIDCPLTXTWAKKA-FRFYRWIFSA-N 409.614 5.801 0 1 HKAF O[C@H](C[C@@H]1CCCCN1)c1cc(Oc2ccc(Cl)cc2)nc2ccc(Cl)cc12 169334317 SMKVAEJSDUSUOF-HRAATJIYSA-N 417.336 5.900 0 1 HKAF CC1=Nc2nc3ccccc3n2[C@@H](c2ccco2)[C@@H]1C(=O)Nc1ccc(F)c(Cl)c1 169724284 KYCWRDXLEJWCRP-UXHICEINSA-N 422.847 5.372 0 1 HKAF Cc1cc(-c2cccc(-c3ncco3)c2)cc2c(NC3CCCC3)c(C(N)=O)cnc12 261134926 LWQVMGPQORZRKF-UHFFFAOYSA-N 412.493 5.319 0 1 HKAF C[C@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1)c1ccc(F)cc1 299874800 BYRLNCJUPBCBAW-PNDGYVOYSA-N 422.887 5.448 0 1 HKAF C[C@H](Sc1nnc(-c2ccncc2)s1)C(=O)Nc1ccc(Cl)cc1Cl 473084259 RFBJUQJRABJHOC-VIFPVBQESA-N 411.339 5.026 0 1 HKAF CC[C@@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 586893853 YYNFXLMEVQJIIR-KXBFYZLASA-N 423.460 5.286 0 1 HKAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3ccccc3cc2[nH]1 586936213 HWSMRWLUQLJJPC-HXUWFJFHSA-N 413.930 5.045 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(-n4cncn4)cc3Cl)nc3ccc(O)c1c23 586984901 BVGPJNLWIBPPOY-UHFFFAOYSA-N 424.847 5.053 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(N5CCCC5)nc4F)nc13)-c1ccccc1C2=O 586997647 UROMOINWZVBICR-UHFFFAOYSA-N 409.464 5.556 0 1 HKAF Cc1c(Cl)ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c12 587003232 PTOHFTFZNJBVBY-AWEZNQCLSA-N 403.711 5.011 0 1 HKAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cncc(Cl)c2[nH]1 587019381 ZFNBUXFDGUWHBU-UHFFFAOYSA-N 423.756 6.368 0 1 HKAF CCCOc1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2cc1Br 587028088 NUWCECZKQTWIJT-UHFFFAOYSA-N 414.328 5.905 0 1 HKAF Fc1cc(Br)cc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587029956 VUDPDGVOBGDUNI-UHFFFAOYSA-N 404.264 5.167 0 1 HKAF Cn1nc(C(F)(F)F)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1Cl 587103226 ILKQHGLIHLESAA-UHFFFAOYSA-N 413.786 5.519 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc(Cl)cc(C)c4[nH]3)cc2F)c1 587143463 TXHSWZGYLNCDST-UHFFFAOYSA-N 401.268 6.660 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc(Br)cnc4[nH]3)c(F)c2)c(F)c1 587148194 DZMFWEDUQZKJSW-UHFFFAOYSA-N 416.225 5.341 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1F 587150527 LKQDEVJVXAESKH-IBGZPJMESA-N 405.231 6.316 0 1 HKAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1F 587151821 IYWPXEZEYPREDY-NXEZZACHSA-N 417.175 5.894 0 1 HKAF COC(=O)c1cc2nc([C@H](C)Oc3ccc(F)cc3)[nH]c2c(F)c1Nc1ccccc1 587169471 XCVWISIIKDJISW-ZDUSSCGKSA-N 423.419 5.511 0 1 HKAF FC(F)(F)c1cccc2nc(/C=C\c3cccc(I)c3)[nH]c12 587183739 IEMATOHEGACZBO-FPLPWBNLSA-N 414.168 5.357 0 1 HKAF Cc1c(Br)ccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c12 587203314 KXZHKMPBEMLLRT-UHFFFAOYSA-N 410.356 5.215 0 1 HKAF CCCCOc1cc2[nH]c(C(=O)Nc3ccccc3CC)nc2cc1Br 587240295 BPTNKZRTHIGFBQ-UHFFFAOYSA-N 416.319 5.319 0 1 HKAF C[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348764 ATRYZINZOLQGHY-IAPPQJPRSA-N 424.471 6.473 0 1 HKAF CCOC(=O)c1cc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)on1 587364148 XYYOOSCUWSWOJT-UHFFFAOYSA-N 414.417 5.488 0 1 HKAF COc1cccc(-c2cc(-c3cccnc3OC(C)C)nc3c2oc2ccccc23)c1 587364666 ZQNYDHNINFZMPV-UHFFFAOYSA-N 410.473 6.506 0 1 HKAF C[C@]1(CCSc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370380 VWZUECJXUMLHHL-ISKFKSNPSA-N 408.494 5.831 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc(C(F)(F)F)c4)s1)[C@@H](C2)C3=O 587421441 KWGXKBMAMWNSCV-YCRPNKLZSA-N 416.420 5.931 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c(F)cc(Br)cc31)CC2=O 587470240 FSUAFJNTPRZYQT-FQEVSTJZSA-N 405.263 5.053 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(C)(C)C)C[C@H]1C(=O)OCC)CC2=O 587477856 HODFIGOFTDZFFP-VLVQHTJOSA-N 402.531 5.074 0 1 HKAF C[C@]1(c2ccc(F)c(Br)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587508959 UFEMCTIQCVKOFH-HXUWFJFHSA-N 407.254 5.487 0 1 HKAF O=C1CC2(CCN(Cc3c(F)cccc3Cl)CC2)Oc2c1ccc1c2CCCC1 587509031 VYVZYHIUJHBLQX-UHFFFAOYSA-N 413.920 5.358 0 1 HKAF CC[C@@]1(C2CCN(C(=O)OC(C)(C)C)CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587514777 PEXFELZSXKLRID-VWLOTQADSA-N 413.558 5.327 0 1 HKAF Cc1cc2c(cc1C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587529929 SFZXPRIBFNLVAU-NDEPHWFRSA-N 408.497 5.636 0 1 HKAF CC(C)(C)C[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543353 BJUTZIXYVFJGKO-SQJMNOBHSA-N 422.908 6.339 0 1 HKAF COc1ccc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587598865 CAIHBLALEBOTFN-SHQCIBLASA-N 424.452 5.771 0 1 HKAF Cc1sc2ccccc2c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619645 UDRJKWWZFJSEMG-URXFXBBRSA-N 402.471 5.792 0 1 HKAF O=C(c1ccccc1Br)c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587628484 LTBNSZNMYQKTTH-UHFFFAOYSA-N 420.587 5.973 0 1 HKAF CC[C@H](C)c1ccc2[nH]c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)c(C(=O)OC)c2c1 587640481 APKVPOGLYTYAQR-RDJZCZTQSA-N 414.546 5.583 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1Cc1ccc(C(F)(F)F)cc1 587655557 MULQMUPDNFYNJZ-UHFFFAOYSA-N 416.349 5.409 0 1 HKAF O=C(c1cc2cc(Cl)ccc2[nH]1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587656707 JOMULMWFGJQJOW-UHFFFAOYSA-N 417.827 5.026 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(Cl)nccc3c2)N1 587702527 DNQLCUGMJGFWSJ-MGNBDDOMSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(C(F)(F)F)cc2)N1 587715096 RMKATIDCGSRONY-VOJFVSQTSA-N 416.256 5.599 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(Cl)cc2Cl)N1 587716143 IVMRVZHYNQIXLJ-VGDKGRGNSA-N 407.085 5.658 0 1 HKAF CC(=O)c1cccc(/C=C/[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F 587727720 PCYAGDRWADLZLI-WUKJBDLNSA-N 406.270 5.219 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(C3CCC3)c2F)N1 587730088 WTBVNFXMVMUROA-GTJPDFRWSA-N 406.314 5.793 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)(C2CCCCC2)N1 587772914 PRKMNTMXFSOTKC-SPLOXXLWSA-N 403.339 5.341 0 1 HKAF FC(F)(F)Oc1cccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587784666 UERCUKISFHBSCJ-SDNWHVSQSA-N 410.395 6.211 0 1 HKAF CCOC(OCC)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587794707 PINHBNPCAWXSEE-ZUOKHONESA-N 422.338 5.283 0 1 HKAF CC(C)c1ccc([C@@]2(C(C)(C)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587826284 KGFSMVMPRCWLKU-JLCFBVMHSA-N 420.366 5.260 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccccc3)cs2)N1 587845666 FHJGMEXXKRWRNN-MPBGBICISA-N 402.332 5.940 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nc(-c3ccccc3)cs2)N1 587855262 UCLZRFOXHVGBOK-YUNKPMOVSA-N 417.347 5.509 0 1 HKAF COc1cccc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c12 587949723 ZJSBOQKVPXCDGT-HYFFOGBASA-N 406.526 5.856 0 1 HKAF C[C@@H](c1ccc(-c2ccccc2)c(F)c1)c1nnc2n1N=C(c1ccccc1)CS2 653707164 MWQOBUXKRKWBBQ-INIZCTEOSA-N 414.509 5.594 0 1 HKAF CCCCCOc1cc([C@@H]2c3cc(OC)c(OC)cc3C[C@@H](C)N2C)ccc1OC 962577479 YYVSQBXHZZLUCU-CRICUBBOSA-N 413.558 5.247 0 1 HKAF CCOc1ccc(F)c(F)c1[C@@H]1c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962643986 QUENTYQPTUBHJF-FNZWTVRRSA-N 420.503 5.200 0 1 HKAF O=C1OCc2ccc(-c3ccc([C@H]4NCCc5cc(-c6ccccc6)ccc54)o3)cc21 962661501 JMFGUZDSGLPJGH-SANMLTNESA-N 407.469 5.519 0 1 HKAF Cc1ccc([C@]2(c3ccc(C(C)C)cc3)NCCc3cccc(-c4ccccc4)c32)nc1 962671610 TZKOHQLYCXYDFC-PMERELPUSA-N 418.584 6.618 0 1 HKAF c1cncc(CN2CCc3sccc3[C@H]2c2cc3c(c4ccccc24)CCCC3)c1 962997190 KQPHJTZMFZZBCX-MHZLTWQESA-N 410.586 6.323 0 1 HKAF CN1CCc2c(Br)cccc2[C@@]1(c1ccc(Cl)c(F)c1)C(C)(C)C 963289027 HUJVSEHZIRRWLB-FQEVSTJZSA-N 410.758 6.019 0 1 HKAF COc1ccc(Cl)cc1-c1ccc(OC)c([C@@H](CC(=O)O)c2ncc(C)s2)c1 1772606271 WYGHEYNTIKTYSO-QGZVFWFLSA-N 417.914 5.396 0 1 HKAF O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)c(Cl)cc1O 1772637971 OEZLOXLSNKVTJJ-UHFFFAOYSA-N 418.120 5.989 0 1 HKAF Cc1cccc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3CN(C)C4)CC2)n1 1857594878 AHZWRTZYYHFCCE-QAQDUYKDSA-N 407.949 5.011 0 1 HKAF O=C(CSc1n[nH]c(-c2sc3ccccc3c2Cl)n1)c1ccc(F)cc1 1857634238 VSTXAHIMOBCFEV-UHFFFAOYSA-N 403.891 5.454 0 1 HKAF C/C(=C\CC[P@](=O)(COC(=O)C(C)(C)C)Oc1cccc2ccccc12)CO 1857634271 IIEQXCDFVNSLNO-GHEYSUOCSA-N 404.443 5.372 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@H](CO)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 2356312487 CDSMIJAJMQGGLT-OQMLIDOUSA-N 414.718 7.882 0 1 HKAF C(=C1c2ccccc2[C@@H]2[C@@H]1O[C@H]1C(=Cc3ccccc3)c3ccccc3[C@@H]12)c1ccccc1 2356384944 QTCLDESTKURNLW-UTRLAFKGSA-N 424.543 7.430 0 1 HKAF COc1c(CC=C(C)C)c(O)cc2c1C[C@@H](c1ccc(O)c3c1OC(C)(C)C=C3)CO2 2356397471 NPCBOHBGCANYKG-MRXNPFEDSA-N 422.521 5.518 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C(O)C=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 2356721467 FRIHYFDWJYSSFE-XNZUKLATSA-N 412.658 7.217 0 1 HKAF COc1cc(C=CC(=O)O[C@@H]2CC(C)=CCCC(C)=C[C@@H](O)[C@@H]2C(C)C)ccc1O 2356740981 ZRZPYTZFTKLERY-PFATUAPWSA-N 414.542 5.035 0 1 HKAF COc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccccc2)cc1OC 72136926 JGZLQXJRCXFCRK-UHFFFAOYSA-N 423.310 5.372 0 3 HKAF CCCC[C@H]1[C@H]2C[C@H](OC(=O)Nc3ccc(C(F)(F)F)cc3)[C@@H](C2)[C@H]2CCCCN12 263591023 ZJAZDJZVUHORGV-JUHPOPGZSA-N 424.507 6.076 0 3 HKAF COc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)CC[C@@H](CN(C)C)C4)cc2)cc1 3935868 ZLENJXHJTDYRCQ-LJQANCHMSA-N 414.549 5.281 0 1 HKAF CC1=C(CC/C(C)=C/Cc2cc(C(=O)O)ccc2O)[C@]2(C)CCCC(C)(C)[C@H]2CC1 3950525 RIYHRKNIDKXDII-XKUVPMDWSA-N 410.598 7.302 0 1 HKAF CC[C@H](C)Sc1nc(SC2CCCCC2)nc(Cc2cccc(C)c2)c1C 6412343 QPVNNWGBWUHJLN-KRWDZBQOSA-N 400.657 7.000 0 1 HKAF CC(C)=CCC/C(C)=C/C[C@@]12CCN(C)[C@@H]1Nc1c2ccc(Br)c1O 13379450 XZWZAEHOBMJOPL-CCHDSSJHSA-N 405.380 5.562 0 1 HKAF CC(C)=CCC[C@@]1(C)C=Cc2c(cc(O)c3c(=O)cc(-c4ccc(O)cc4O)oc23)O1 13379904 XWOSDRWRTNHQNR-VWLOTQADSA-N 420.461 5.488 0 1 HKAF biogenic O=C(N[C@@H](C(=O)O)c1ccccc1)c1cc(-c2ccc(-c3ccncc3)cc2)cs1 13981144 IZRGHLXXFQNRMD-JOCHJYFZSA-N 414.486 5.033 0 1 HKAF COc1cc(C)c(-n2c3ccccc3c3cc(C)cc(OC)c32)c2c1[nH]c1ccccc12 14611150 OBQIZMYFDVTSTF-UHFFFAOYSA-N 420.512 7.052 0 1 HKAF endogenous,in-man CCn1c([C@@H](c2ccc(F)cc2)n2ccnc2)c(C)c2cc(Br)ccc21 26990477 AGDFPJBCGAJMIS-OAQYLSRUSA-N 412.306 5.705 0 1 HKAF CCO[C@@H]1C[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3c3ccoc3)[C@]12C 27408606 VCYLUBLAOSWYSI-IZSBMLLGSA-N 422.609 6.712 0 1 HKAF CCc1cccc(-c2[nH]c3ccccc3c2CCNCCCCc2ccc(O)cc2)c1 27560291 FPJUFQKRNUBGMJ-UHFFFAOYSA-N 412.577 6.258 0 1 HKAF C[C@]1(C(=O)N2CCC(c3ccccc3)CC2)CCC[C@]2(C)c3ccccc3CC[C@@H]12 28526142 ZJPIFOVRFHBVNC-KZQOYIJHSA-N 401.594 6.103 0 1 HKAF C(=C/c1ccccc1)\CN1CCC(Nc2nc3ccccc3n2Cc2ccccc2)CC1 29564496 UCIQMFNXQOWFEF-NTEUORMPSA-N 422.576 5.674 0 1 HKAF COc1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1 40918718 PYYOXPURQWCASI-UHFFFAOYSA-N 411.505 5.258 0 1 HKAF COc1ccc(-c2ccccc2)c2cc(C(=O)Nc3ccc(Cn4ccnc4)cc3)oc12 45367316 PJSMJOBOOHRHOZ-UHFFFAOYSA-N 423.472 5.606 0 1 HKAF Nc1cccc(Cn2c(-c3ccoc3)c(C3CCCCC3)c3ccc(C(=O)O)cc32)c1 45391335 PIWVPFXTEPHUPV-UHFFFAOYSA-N 414.505 6.278 0 1 HKAF CCCCCn1cc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)cc1-c1ccccc1 66252165 BIIPATWUVYDKKA-DEOSSOPVSA-N 414.549 5.513 0 1 HKAF O=C(O)[C@@H]1CCCN(CC/C=C(/c2ccccc2)c2ccccc2OC(F)(F)F)C1 66263746 MNKLYYQWUNTWSZ-GEBKJHSDSA-N 419.443 5.204 0 1 HKAF COc1cccc(NC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)c1 72107069 JJAISKMROCSBOJ-KFPLCPJJSA-N 405.582 7.165 0 1 HKAF Cc1cc(N2CCN(Cc3coc(-c4ccccc4Cl)n3)CC2)c2ccccc2n1 72184249 KHCCLKVHJOJKLU-UHFFFAOYSA-N 418.928 5.174 0 1 HKAF COc1ccc(C2=NN[C@@H](c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C2)cc1 73224451 VHUOPHKGIJRFTF-XMMPIXPASA-N 412.468 5.126 0 1 HKAF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccccc3F)n2)C1 82150795 VAHWGYQBAQSRFZ-QZTJIDSGSA-N 424.564 5.075 0 1 HKAF Cc1cccc(-c2nc(NCCc3ccc(Cl)cc3)ncc2-c2ncc(C)o2)c1 82173936 AIRXZBAPEHQDBY-UHFFFAOYSA-N 404.901 5.723 0 1 HKAF CCC(CC)c1nc2c(NCc3ccccc3C)ncnc2n1CC[C@@H]1CCCN1C 82180505 DKOOYJWIBSSWGM-NRFANRHFSA-N 420.605 5.135 0 1 HKAF CNC(=O)c1cc(-c2ccc(F)cc2)cc(-c2ccc(N3CCCCC3)cc2)c1N 96258287 UASUAMGBKCNHEA-UHFFFAOYSA-N 403.501 5.092 0 1 HKAF CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc(Cl)cc1 100704524 FXQNMGAXOQWQCG-OAHLLOKOSA-N 415.946 5.798 0 1 HKAF CN1[C@H]2CC[C@@H]1C[C@H](O[C@H](c1ccc(F)cc1)c1ccc(Br)cc1)C2 100834198 UYDBIVZVAQJVFB-BQJUDKOJSA-N 404.323 5.319 0 1 HKAF c1ccc(CN2[C@H]3CC[C@H]2CC(OC2c4ccccc4CCc4ccccc42)C3)cc1 101213022 DZOFIEFQFCWGIY-DQEYMECFSA-N 409.573 6.087 0 1 HKAF COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCCC2)ccc1O 104033184 ALRZTUWEDIFMAH-JOCHJYFZSA-N 411.498 5.085 0 1 HKAF O=C(NCCc1ccc(CN2CCCC2)cc1)c1ccc(-c2cccc(Cl)c2)cc1 203209033 SFNIWTUHFIOIST-UHFFFAOYSA-N 418.968 5.575 0 1 HKAF COC(=O)c1cc2nccc(Oc3cccc(NC(=O)c4occc4C)c3)c2s1 219982896 ZMVHSAYXVOTVKO-UHFFFAOYSA-N 408.435 5.029 0 1 HKAF CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)CCC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 255284698 YLPQYQLAPDSRON-QAPMVVNNSA-N 414.762 9.380 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@H]1[C@H](O)C3 256543463 BHMYRYNHHQYGTN-OZODQDSBSA-N 414.674 6.814 0 1 HKAF endogenous,in-man O=C(NC12CC3CC(CC(C3)C1)C2)N[C@H]1CC[C@H](OCc2cc(F)cc(F)c2)CC1 299835202 MACCLBHQIWJGKQ-AWUGYNQZSA-N 418.528 5.061 0 1 HKAF O=C(c1ccc(C(F)(F)F)cc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586985257 BPSHQQXLDCEPQG-UHFFFAOYSA-N 419.358 5.402 0 1 HKAF O=C1c2ccccc2-c2cc(Cc3cc(Cl)ccc3Cl)nc3ccc(O)c1c23 586986154 ODCUSRZENFQYAY-UHFFFAOYSA-N 406.268 6.049 0 1 HKAF Brc1ccnc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc12 587039343 DNRKEYXDBSENPT-UHFFFAOYSA-N 423.339 5.566 0 1 HKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587062444 SRJYLXZYDYSEMV-ZDUSSCGKSA-N 409.667 5.207 0 1 HKAF Cc1nc2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc2cc1Br 587063703 ZHXDAYLNVRMZAE-UHFFFAOYSA-N 412.718 5.940 0 1 HKAF CCCOc1cc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2cc1Br 587095644 OOOZPILDLQAAIZ-UHFFFAOYSA-N 414.225 5.382 0 1 HKAF Fc1ccccc1-c1cccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 587152996 JNHVCZJVQMSHLG-UHFFFAOYSA-N 407.317 6.085 0 1 HKAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587191151 LFRBTGYLXKOOPZ-CQSZACIVSA-N 407.301 5.221 0 1 HKAF CC(=O)[C@@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327462 GOCQCNLCORETQH-GGAORHGYSA-N 410.828 5.028 0 1 HKAF COC(=O)c1ccc(-c2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587373296 CPBKCHYPXQBWOK-QFIPXVFZSA-N 421.880 5.391 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CSCCc3ccccc32)[C@@H]1c1ccc(F)cc1 587376397 XKSPLEBYVNYOCH-ISKFKSNPSA-N 406.478 5.075 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3cccc(C(F)(F)F)c3)nc1)O2 587381470 JMOXEVWVOCKFDM-IBGZPJMESA-N 414.383 5.490 0 1 HKAF Cc1cccc(COc2c(C)cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2C)c1 587397713 ALUCTBZAUNGPGQ-DEOSSOPVSA-N 401.506 5.788 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1cccc(Cl)c1)[C@@H](C2)C3=O 587417635 DJXDSKMCGHEUHG-YADARESESA-N 406.865 5.416 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCc1ccccc1)(Cc1ccccc1)CC2=O 587489975 QIXARMGXOWOBMF-HHHXNRCGSA-N 400.518 5.924 0 1 HKAF Cc1cc(-c2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)ccc1F 587507677 RYDPULOWWHHGJL-MHZLTWQESA-N 400.493 6.561 0 1 HKAF O=C1C[C@@H](c2cccc(Br)c2OC(F)F)Oc2c1ccc1c2CCCC1 587508112 RSYFRBFAXRXHAS-KRWDZBQOSA-N 423.253 5.636 0 1 HKAF O=C1C[C@@H](c2cccn2-c2ccccc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587509171 QQCBFAPEZDHJIK-QFIPXVFZSA-N 411.423 6.081 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccccc2nc1Cl 587554983 ZALVMHDZAVKLPG-KNQAVFIVSA-N 403.821 5.297 0 1 HKAF Oc1cccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 587785243 ZIHZFQIXCYFQSO-UHFFFAOYSA-N 406.485 6.105 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2Cc2ccccc2)N1 587824772 YKVZHWHODRWPIJ-YBOAYWMSSA-N 402.351 5.751 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC2CCOCC2)(c2ccccc2)N1 587834611 LQXAAVQWUULJKG-OYHNWAKOSA-N 418.350 5.183 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccccc3)o2)N1 587842470 FLMFLBPGEXCOMQ-FKIZINRSSA-N 418.331 5.956 0 1 HKAF CCC[C@@]1(c2ccc(Cl)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 587847166 JNEYYSHCCWIOMQ-BMLIUANNSA-N 402.760 5.881 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccccc1Cl 587861714 UAJASPNEWXVKHF-GFCCVEGCSA-N 424.806 5.339 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc2ccccc2c1O 587862249 JIIKHLLVSWQBGB-UHFFFAOYSA-N 412.367 5.125 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1ccc(C)cc1 587867177 XGKDCGOGRJHBNS-UHFFFAOYSA-N 420.456 5.709 0 1 HKAF O=C(COc1ccc(OCc2ccccc2)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587873437 FIUNXNUQDKNALJ-UHFFFAOYSA-N 416.408 5.093 0 1 HKAF N/C(=C\c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1)c1ccccc1 587922376 CUALZOBPFCVZML-ZHZULCJRSA-N 411.505 6.554 0 1 HKAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587963685 QKDDZPOWEGYPFM-ZFWWWQNUSA-N 413.315 5.062 0 1 HKAF Sc1ncnc2c1c(-c1ccccc1)c(-c1ccccc1)n2-c1ccc(Cl)cc1 653849902 PXCVHJIVSTUQBF-UHFFFAOYSA-N 413.933 6.697 0 1 HKAF COc1ccc(COc2nc(C(Cl)(Cl)Cl)nc3ccccc23)cc1OC 653913874 KHLRCZYGNMCYMN-UHFFFAOYSA-N 413.688 5.053 0 1 HKAF Cc1c(F)ccc2c1[C@@]1(NCC2)c2cccc(Cl)c2C(=O)c2cccc(Cl)c21 962376721 QKERFUUFDZDRAO-QHCPKHFHSA-N 412.291 5.423 0 1 HKAF CCC[C@]1(c2ccc(Br)c(C)c2)NCCc2cc(-c3ccccc3)ccc21 962668653 XCHJSJOUGAZANW-RUZDIDTESA-N 420.394 6.614 0 1 HKAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@@H]2c1cc(Cl)ccc1Cl 962961313 TZFXOTYWSLSKBV-SFHVURJKSA-N 416.270 5.753 0 1 HKAF Cc1ccc(Cn2c([C@H]3c4ccc(F)cc4C[C@H]4CCCN43)nc3ccccc32)cc1 963115342 VYTWNKAZXFEAFQ-ATIYNZHBSA-N 411.524 5.642 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccc(C)cc1)c1ccc(Cl)c(Cl)c1 963244601 WSJPTBUGXCYUQM-BCHFMIIMSA-N 424.415 7.250 0 1 HKAF CC(C)(C)OC(=O)CCC[C@@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963830894 DGRNOKHAZVMNIX-QHCPKHFHSA-N 420.553 5.446 0 1 HKAF FC(F)(F)c1ccc(Cn2nc(-c3cccc4ccccc34)c3ccccc32)cc1 1857564820 VMNXGQSLNPKLBX-UHFFFAOYSA-N 402.419 6.924 0 1 HKAF Cc1cc(-n2cc(C(=O)c3c(Cl)cccc3Cl)c3ccccc32)ccc1C(=O)O 1857590372 FKQTUFPQOWQSQC-UHFFFAOYSA-N 424.283 6.175 0 1 HKAF COc1ccc(-c2ccc(Sc3ccccc3[C@@H](CCC(=O)O)C(=O)O)cc2)cc1 1857640700 KSEPBMMZVPGILK-OAQYLSRUSA-N 422.502 5.546 0 1 HKAF C[C@@H](CCC(=O)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@]35CC[C@]12C 2356532032 PKCLZUICYHOWNR-LYKYAMFDSA-N 414.630 6.496 0 1 HKAF CC1=C(C=CC2=CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)[C@H](O)CCC1 2356594349 REBCKWLPJGCBRY-SUMVXZBSSA-N 400.647 6.734 0 1 HKAF CC=C[C@@H](O)[C@@H](C)C=C(C)C=CCC(C)=CCc1nc(OC)c(OC)c(O)c1C 2356807166 WFEFGXNOSOLREF-GHTZIAJQSA-N 401.547 5.067 0 1 HKAF CC[C@H](C)Sc1cc(-c2nc3cc(C)ccn3c2NC2CCCCC2)ccc1OC 61959545 PGRSSZHYAIHBSV-SFHVURJKSA-N 423.626 6.954 0 3 HKAF Cc1ccccc1CCC[C@@H](CC1CCCCC1)CN(C)C(=O)Oc1ccccc1 203473004 WHGUBJTUBDYHHS-DEOSSOPVSA-N 407.598 7.035 0 3 HKAF Cc1cc(Nc2nc3ccc(C(=O)Nc4c(C)cccc4Cl)cc3s2)ncn1 13536623 CJEUQKILUZVHKN-UHFFFAOYSA-N 409.902 5.352 0 1 HKAF COc1cc2nccc(Oc3ccc(NC(=O)Oc4ccccc4)cc3)c2cc1OC 13684353 KVDZJYLUBBYJIX-UHFFFAOYSA-N 416.433 5.655 0 1 HKAF O=C(CCc1ccccc1)c1ccccc1OCCCCCCCN1CCCCC1 28636166 CFJGQDRBFABZBD-UHFFFAOYSA-N 407.598 6.317 0 1 HKAF Cn1nc(-c2ccccc2)c(/C=C2\SC(=S)N=C2O)c1SCc1ccco1 28822835 PHSPVGJFETULQA-GDNBJRDFSA-N 413.549 5.302 0 1 HKAF CC(=O)O[C@H]1CC[C@@H](C)[C@@]23C[C@@H](C[C@H](OC/C=C/c4ccccc4)[C@]12C)C(C)(C)O3 40380271 MJGSNPALXVHNAT-RJEOBRGXSA-N 412.570 5.411 0 1 HKAF CCOP(=O)(OCC)[C@H](Nc1nc2ccc(OC)cc2s1)c1ccccc1F 40565053 XUAMBWHXTDIFHG-SFHVURJKSA-N 424.434 5.821 0 1 HKAF CS(=O)(=O)c1ccc(-c2cnc(CC3CCCCC3)nc2-c2ccc(F)cc2)cc1 43010595 KSCDBBDAERUVEP-UHFFFAOYSA-N 424.541 5.476 0 1 HKAF c1cncc(NCc2ccc(-c3cc4ccncc4cc3OC3CCNCC3)s2)c1 45201186 RASUVPIIXQWKQJ-UHFFFAOYSA-N 416.550 5.101 0 1 HKAF Cc1ncccc1C(=O)Nc1cccc(-c2cccc(-c3nc4cccc(C)c4[nH]3)c2)c1 45334497 QCPBLDKSNYOLOO-UHFFFAOYSA-N 418.500 6.161 0 1 HKAF Nc1nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc2n1CC1CC1 63298083 MZIOLOXGGOLJMJ-UHFFFAOYSA-N 403.486 5.211 0 1 HKAF CC(C)(C)CC(C)(C)n1nnnc1CNCC=C(c1ccccc1)c1ccccc1 73162998 BWHBRECZDCGSBL-UHFFFAOYSA-N 403.574 5.066 0 1 HKAF O=C(Nc1ccc(-c2cccnc2)cc1)Nc1ccc(-c2ccnc3nc[nH]c23)cc1 73276579 JEFLAXCYXPNMCH-UHFFFAOYSA-N 406.449 5.331 0 1 HKAF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NCC3CCCCC3)nc2-c2ccccc2F)C1 82152010 ZNUJATPOFKKAFW-ROUUACIJSA-N 424.564 5.393 0 1 HKAF CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(C)c(C)c2)cs1 82193173 CSNLMWTYVHDLKY-UGKGYDQZSA-N 413.631 5.728 0 1 HKAF FC(F)(F)c1cccc(Sc2nc(C(Cl)(Cl)Cl)nc3ccccc23)c1 84727913 HRPIAGAPTALJBQ-UHFFFAOYSA-N 423.674 6.627 0 1 HKAF C[C@]1(CCCCCCCCCCCCc2ccc(O)cc2)C[C@]2(C)OC(=O)C[C@@H]2O1 96086028 AVPPXTVRSKQLNJ-RNXOBYDBSA-N 416.602 6.479 0 1 HKAF in-vitro Cc1cc(-c2nn(C(C)C)c3ncnc(N)c23)cc2ccc(OCc3ccccc3)nc12 98208173 QJSJMPRJBAGLJO-UHFFFAOYSA-N 424.508 5.092 0 1 HKAF in-vitro CC1(C)C=C([C@]23C=C[C@@H](C2)[C@@H]2C(=C4CC(C)(C)NC(C)(C)C4)C=C[C@@H]23)CC(C)(C)N1 100097367 YPNNEKSEHNACRE-BBKUPMPFSA-N 406.658 6.079 0 1 HKAF CC(C)(C)c1cc(CNC(=O)Cc2ccc3c(c2)CCC3)n(-c2cccc(Cl)c2)n1 113488788 ASJJXWOSDOCWSC-UHFFFAOYSA-N 421.972 5.171 0 1 HKAF N#CCc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1 146847112 KHUXSIZIEJKUDX-UHFFFAOYSA-N 420.822 5.141 0 1 HKAF O=S(=O)(c1cccc2ccccc12)N1N=C2CCCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 169298699 WVFWEWLIYCVEAL-REWPJTCUSA-N 424.953 5.785 0 1 HKAF C[C@]12CC[C@H]3[C@H](CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]34C)[C@@H]1CCC2=O 169314956 FXJBFSBELBAUFO-HBXJDEKNSA-N 413.565 5.409 0 1 HKAF CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(-c2ccccc2Cl)cc1 169329386 BKHXFJCXAQZXJH-UHFFFAOYSA-N 424.331 5.801 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(OC)cc2)s1)C3 195232666 MJYUGDRYDHXYRF-AGMPHDADSA-N 423.578 5.101 0 1 HKAF C/C=C(/C)C(=O)OC[C@@H](O)COC(=O)CCCCCCCCCCCCC(C)C 205169995 SOCHYJPAQHWUNU-FLCISWJYSA-N 412.611 5.737 0 1 HKAF CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2F)c2c(nc3c(c2N)CC(C)(C)CC3)N1 206128082 YZMRPVFFYJXHFO-HXUWFJFHSA-N 423.532 5.101 0 1 HKAF C/C=C(/C)c1cc(O)c(C)c2c1Oc1cc(O)c(Br)c(C)c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c1ccc(-c2nnc(-c3ccc4nc(C5(c6ccccc6O)CC5)[nH]c4c3)o2)cc1 586897314 ZUKRENVOWBFMQU-UHFFFAOYSA-N 424.460 5.074 0 1 HKAF CCCCOc1cc2nc([C@@H](C)Sc3ncccn3)[nH]c2cc1Br 586961861 MICWQAWJFIUMHI-LLVKDONJSA-N 407.337 5.148 0 1 HKAF CSc1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586985178 RWGRSZDVYGJGFO-SFHVURJKSA-N 402.361 5.233 0 1 HKAF Cc1cc2c(Br)ccc(-c3nc4ccc(Br)c(O)c4[nH]3)c2o1 587004210 PSIKKQKADSQGFO-UHFFFAOYSA-N 422.076 5.515 0 1 HKAF CCCOc1cc2nc(-c3cc(NC(C)=O)ccc3Cl)[nH]c2cc1Br 587050511 OPWICMMHKPWJGA-UHFFFAOYSA-N 422.710 5.393 0 1 HKAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)n1 587080002 MHFXQJJXOMJNKI-SSDOTTSWSA-N 421.648 5.832 0 1 HKAF COc1ccc([C@@H]2CC(=O)Cc3nc4c(C)ccc5c4c(c32)-c2ccccc2C5=O)cc1 587098830 VEKJLMZZDXPKOI-QFIPXVFZSA-N 419.480 5.410 0 1 HKAF CCCC[C@@H](OC)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587105784 DYQDYTJBNWCJBY-AREMUKBSSA-N 407.513 6.991 0 1 HKAF FC(F)(F)c1ccc2ncc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)cc2c1 587112286 LKGWEJSIQIXSLL-UHFFFAOYSA-N 421.447 6.948 0 1 HKAF O=C(O)c1ccc(-c2cc(-c3nc4c(F)cnc(Cl)c4[nH]3)ccc2F)cc1F 587138458 JJYOLHRHQNRPTJ-UHFFFAOYSA-N 403.747 5.061 0 1 HKAF COc1ccc(C)cc1NCCCc1nc2cccc(OCc3ccccc3)c2[nH]1 587229061 MMNVNMJEWDLGPX-UHFFFAOYSA-N 401.510 5.504 0 1 HKAF CCCCCOc1cc2nc(-c3cc(OC)cc(C)c3N)[nH]c2cc1Br 587249758 IXJJBFOKRILALD-UHFFFAOYSA-N 418.335 5.461 0 1 HKAF COc1cccc(-c2cc(-c3cc(C(=O)O)ccc3C)nc3c2oc2ccccc23)c1 587364946 BBPDZDLVYWSIIE-UHFFFAOYSA-N 409.441 6.330 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Oc4ccc(F)cc4F)cc1)[C@@H](C2)C3=O 587425940 IMSOFJYRGPVZAY-UUOWRZLLSA-N 408.400 5.429 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(C)cc(CN4CCC(C)CC4)c1C)[C@@H](C2)C3=O 587437504 JBEHKMODMWIJPT-BKMJKUGQSA-N 405.538 5.033 0 1 HKAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4Sc4cc5ccccc5cc41)[C@@H](C2)C3=O 587451107 IBRVKPNCLCQYOS-KDYSTLNUSA-N 422.505 6.004 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1nc3ccccc3cc1Br)CC2=O 587456722 AQSPPQCBNGJPLM-IBGZPJMESA-N 412.283 5.362 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(F)c(Cl)c3)cc1)CC2=O 587468529 XMKFTGJVOJSSBP-HSZRJFAPSA-N 410.872 6.511 0 1 HKAF CC1(C)c2ccccc2-c2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc21 587523172 JZONQMGNPUMXPF-GDLZYMKVSA-N 408.541 6.752 0 1 HKAF C[C@@]1(c2c(-c3ccccc3)nn3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587528360 XYXUTTVVISSNDP-MHZLTWQESA-N 408.501 5.761 0 1 HKAF C[C@]1(c2cc(Cl)cc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544598 FPDAWPWRORRROW-GHTZIAJQSA-N 401.245 5.576 0 1 HKAF C[C@@]1(c2cccc(C(F)(F)F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587548311 NKSWCZKEIWLCGV-UWJYYQICSA-N 418.342 5.427 0 1 HKAF C[C@@H](C[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1cn(C)c2ccccc12 587580416 XRGOOVNEFJHNBX-VVMYJBMMSA-N 413.473 5.408 0 1 HKAF CCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CC 587595935 LZYDVAOBCXCASN-RDGATRHJSA-N 404.462 5.446 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2cccs2)s1 587613106 NNHYOBWTAVSSQA-XLIONFOSSA-N 407.472 5.280 0 1 HKAF COc1c(Cl)cc(Cl)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587695271 QTAXNNQHAKLFAH-VPTHRUTESA-N 419.121 5.527 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(Cl)cc2Cl)N1 587698343 VCXXJICAYRHMDX-XTZNXHDOSA-N 417.149 5.887 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cc(Cl)ncc3c2)N1 587705273 MAVSZTJBBBCTSQ-GIGQVBGESA-N 405.698 5.413 0 1 HKAF COc1c(F)cc(CC[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587718909 KCBAKGCHHLZKOG-MGNBDDOMSA-N 414.265 5.083 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2Br)N1 587727741 PMBSGBUQEVCVDB-ZKANADHPSA-N 417.091 5.113 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(F)c3)s2)N1 587728127 CVLCBPSUCUMHMH-GIPWTMENSA-N 420.322 6.079 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccnc1 587748970 CHGYPYUJNRNXFQ-QKVFXAPYSA-N 414.322 5.014 0 1 HKAF CC(C)=CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587799981 CZRGWKQHRXGBFB-SZNDQCEHSA-N 404.323 5.557 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(O)cc3)cc2)N1 587833755 PFMRLGBJAZWGHO-DMZKTXOQSA-N 412.302 5.584 0 1 HKAF CSc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 587844558 LMUSJKMQRSNVHQ-MGNBDDOMSA-N 414.771 5.761 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N)cc2)(c2cccs2)N1 587856011 XLCBXCYBKZVNQN-FKIZINRSSA-N 417.347 5.058 0 1 HKAF CSc1ccc(-c2csc(-c3ccc4[nH]c(-c5cccs5)nc4c3)n2)cc1 587925140 OSPLFDKLLJIAAL-UHFFFAOYSA-N 405.573 6.804 0 1 HKAF COc1cccc(-c2cc(O)cc(-c3nc4cc(C)c(Br)cc4[nH]3)c2)c1 587933105 KBSDKCJAPJSALX-UHFFFAOYSA-N 409.283 5.682 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(F)cc2[nH]1 587963079 ZSHZOZYTDURAPG-RCHUDCCISA-N 420.616 8.556 0 1 HKAF COc1cccc([C@@]2(c3cccc(C)c3)c3cc(OC)ccc3CCN2C(C)C)c1 962095561 VCYNACPZUCTWNM-MHZLTWQESA-N 401.550 5.571 0 1 HKAF COc1ccc(-c2csc([C@H]3NCCc4c3c(C(C)C)nn4C)n2)c2ccccc12 962917790 GMMLYSMAUXRKIS-QHCPKHFHSA-N 418.566 5.064 0 1 HKAF Fc1cccc(CC[C@]2(c3ccc(Cl)c(F)c3)NCCc3nc4ccccn4c32)c1 962984619 NGWQIVCCRFOXPI-XMMPIXPASA-N 423.894 5.288 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccc(C)nc1)c1cc(OC)ccc1OC 963241194 MIOBXTPFMXSYTJ-NFQMXDRXSA-N 416.565 5.356 0 1 HKAF Cc1cc(OC(F)(F)F)ccc1[C@]1(C)c2cccc(Br)c2CCN1C 963282815 YBRCBKTUZYCREU-GOSISDBHSA-N 414.265 5.408 0 1 HKAF COc1cc(OC)c(NC(=O)NCCC2=CS[C@@H]3C[C@H](C)CC[C@@H]23)cc1Cl 1857535948 PRIPWHITKPWISS-SPKLELGKSA-N 410.967 5.304 0 1 HKAF Cc1onc(-c2ccc(F)cc2)c1[C@@H]1C[C@@](C)(c2ccc(F)cc2F)NC(=N)S1 1857550289 RYMBQNGWRCVRMM-UWJYYQICSA-N 417.456 5.685 0 1 HKAF COc1ccc(-c2ccc(Cn3cc(-c4ccc(C(F)(F)F)cc4)nn3)cc2)cn1 1857584533 XMICLSPUPFMDHT-UHFFFAOYSA-N 410.399 5.083 0 1 HKAF CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@H]1C[C@H]1c1cccc(F)c1 1857619881 XOBVCWPXOBDWGK-GGAORHGYSA-N 421.560 5.333 0 1 HKAF O=C(Nc1nc2ccccc2s1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1857620626 UVKDLRXKOGRONZ-UHFFFAOYSA-N 414.465 5.540 0 1 HKAF C=CC(=O)Nc1ccc(-c2ccc(NC(=O)Nc3cccc(C(C)C)c3)cc2)cn1 1857643928 QDQFGRCUJGQRLD-UHFFFAOYSA-N 400.482 5.641 0 1 HKAF CC(C)(C)c1cc(CNC(=O)Cc2ccc3c(c2)CCC3)n(-c2ccc(Cl)cc2)n1 1911579806 BPFVWDGGSHDZPZ-UHFFFAOYSA-N 421.972 5.171 0 1 HKAF COc1ccc([C@@H]2CCCN2Cc2ccc(Oc3ccc4c(O)noc4c3)cc2)cc1 1911580048 AAEHAPSDVVCWLJ-QHCPKHFHSA-N 416.477 5.671 0 1 HKAF C[C@@H]1CCC[C@]2(C)CC[C@]3(C)[C@H](C=C[C@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]34C)[C@H]12 2356412142 INZYDYJREHWAIL-SERZYLDXSA-N 412.702 7.635 0 1 HKAF CC1(C)[C@@H](O)CC[C@]23C[C@@]24CC[C@]2(C)[C@H]([C@@H]5COC(=O)C5)CC[C@@]2(C)[C@@H]4CC[C@@H]13 2356497602 SPPZJSWPWQTMPS-IRFFBFERSA-N 400.603 5.350 0 1 HKAF CCOc1ccc2c(c1)N=C(c1ccc(OC)c(OC)c1)N=C(c1cccs1)N2 6743594 ZZQJFVSLZCUCGO-UHFFFAOYSA-N 407.495 5.115 0 1 HKAF CC(C)=CCc1c2c(c(O)c3c(-c4ccccc4)cc(=O)oc13)C(=O)[C@H](C)[C@H](C)O2 13382518 LCHRCBXGRPWRBG-CABCVRRESA-N 404.462 5.274 0 1 HKAF biogenic CCCCSc1ccc2ccc(/C=C/c3cccc(OCC(=O)OC)c3)nc2c1 13727955 PLHUXEITIRBQKD-DHZHZOJOSA-N 407.535 5.849 0 1 HKAF CC(=O)c1ccc(OCc2ccsc2)cc1O[C@H](CCC(=O)O)c1ccccc1C 13780328 ULMFTQRBVDYESB-JOCHJYFZSA-N 424.518 5.823 0 1 HKAF CCOC(=O)c1ccc(NC(=S)Nc2cccc3c2OC(C)(C)CC3(C)C)cc1 25972940 SNPGKHSXKQDIKN-UHFFFAOYSA-N 412.555 5.511 0 1 HKAF CCCC[C@@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)O)cc3F)c2c1 26498732 AARANZAXYFPTGU-MRXNPFEDSA-N 410.489 5.682 0 1 HKAF COc1ccc(COc2ccc(-c3cc(/C=C4\CN5CCC4CC5)on3)cc2)cc1 26665421 VUNFWSNZRZSOAP-KGENOOAVSA-N 402.494 5.038 0 1 HKAF CCC[C@]1(C2CCCC2)Cc2cc(OCCCC(=O)O)c(Cl)c(Cl)c2C1=O 27644346 UBTPINXXQAAVIZ-OAQYLSRUSA-N 413.341 5.953 0 1 HKAF CC(C)c1nccc2c1c(Sc1ccc(Cl)cc1)c1n2CC[C@H]1CC(=O)O 36401003 UZUFRBHACHDPRP-ZDUSSCGKSA-N 400.931 5.926 0 1 HKAF O=C(O)c1cccc(-c2cnccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 40565757 NYKCJKCMWGRQLF-UHFFFAOYSA-N 415.876 6.346 0 1 HKAF Cc1ccccc1C1CCN(c2ccc(NC(=O)c3ccc(Cl)nc3)cc2)CC1 45187070 QMTDGNCTNSLOIQ-UHFFFAOYSA-N 405.929 5.680 0 1 HKAF c1ccc2[nH]c(-c3ccc(-c4ccc(CNCCc5ccncc5)cc4)s3)nc2c1 45202751 WICHMOHMJNUIOU-UHFFFAOYSA-N 410.546 5.686 0 1 HKAF Cc1cccc(-c2nc(NCc3ccccc3)ncc2C(=O)N[C@@H]2CCCC[C@H]2C)c1 82145402 ZWWFSOYDHMBCGM-AUSIDOKSSA-N 414.553 5.373 0 1 HKAF COc1cc(/C=C/C(=O)O)ccc1-c1ccc(O)c(C23CC4CC(CC(C4)C2)C3)c1 82154254 PLYNNOBXBRMEAC-XVNBXDOJSA-N 404.506 5.633 0 1 HKAF C[C@@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccco2)n1 82165437 RRBNISHCKJLVBF-VQIMIIECSA-N 416.550 6.518 0 1 HKAF Cc1cccc(-c2nc(NCc3ccc4c(c3)OCO4)ncc2-c2nc(C)c(C)o2)c1 82173234 YOWLRAXJDHOJFC-UHFFFAOYSA-N 414.465 5.065 0 1 HKAF Cc1ccccc1-c1nc(N2CCC(C)CC2)ncc1-c1nc2ccccc2s1 82177503 LRDSUXLUSMUAED-UHFFFAOYSA-N 400.551 5.965 0 1 HKAF CCCCCn1c(-c2cccs2)nc2c(NCCc3cccc(F)c3)ncnc21 82179629 IPTMYEGAOGDHRI-UHFFFAOYSA-N 409.534 5.539 0 1 HKAF COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)N2CCCC[C@@H]2C)cc1 95591046 SWSRLVOJNNQFCC-LZKVIFDGSA-N 421.537 5.297 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@H](C/C=C3/C[C@@H](O)CCC3(C)C)CCC[C@@]21C 100059656 ZGGYLFXNQDDBEC-CCCWPZOXSA-N 418.706 7.284 0 1 HKAF in-vitro COc1cc(C[C@H]2CC(c3cccc4ccccc34)=NO2)ccc1OCc1ccccc1 103210462 VXOADWWOYHPOLP-QHCPKHFHSA-N 423.512 6.163 0 1 HKAF c1ccc(N2CCN(Cc3cn(-c4ccc5ccccc5c4)c4ccccc34)CC2)cc1 103265589 YNYOJTWYCQPQCZ-UHFFFAOYSA-N 417.556 6.106 0 1 HKAF Clc1cccc(N2[C@@H](c3ccccc3)[C@@]23C(c2ccccc2)=Nc2ccccc23)c1 103276065 IZQXUWNXUUJNQS-SDLWSTGNSA-N 406.916 6.931 0 1 HKAF COc1cc(-c2ccc3ncnc(Nc4cccc5[nH]nc(Cl)c45)c3c2)ccc1O 143165179 OHDXOILNZGUOHL-UHFFFAOYSA-N 417.856 5.284 0 1 HKAF Cc1ccc(F)cc1[C@H]1CCc2cc(Oc3ncc(C(=O)N(C)C)s3)ccc2O1 145506904 JSLQAVZAEALJHI-LJQANCHMSA-N 412.486 5.151 0 1 HKAF CCCOc1cncc(C2=CC[C@H]3[C@@H]4CCC5=CCN(C)CC[C@]5(C)[C@H]4CC[C@]23C)c1 146043528 GUJVLTUBAFBTOJ-FWWXEKRMSA-N 420.641 6.368 0 1 HKAF CC(C)=CCC/C(C)=C\CC/C(C)=C/CC[C@]1(C)CCc2c(cc(C)c(O)c2C)O1 201704974 KNOLXXFWGWYXEX-XBKCXTRYSA-N 410.642 8.292 0 1 HKAF Cc1csc2ncnc(Oc3c(C4CCC4)ccc(-c4cnc(N)cn4)c3F)c12 224550193 RKNYHKWZHUXCAT-UHFFFAOYSA-N 407.474 5.238 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]45C[C@@H](O)CC[C@]4(C5)C3=CC[C@]12C 255287116 ZIHOVBDAEZEART-FZKLEJRBSA-N 412.702 7.779 0 1 HKAF COc1ccccc1[C@H](CCN(C(C)=O)[C@H](C)c1ccccc1)[C@H]1CCC(C)(C)OC1 299811823 OEXWBBSZVDWIDB-FGCOXFRFSA-N 423.597 5.984 0 1 HKAF O=C(Nc1cccc(Cl)c1)Nc1cc2ncncc2cc1OCc1ccccc1F 299835888 ZJIIDJPMZPVSFP-UHFFFAOYSA-N 422.847 5.645 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H](OCc1ccccc1)C3 586991511 KRVBKNMNXSHSHD-KRWDZBQOSA-N 407.469 5.226 0 1 HKAF c1ccc(Oc2ccc3nc(-c4csc(-c5ccc6c(c5)CCO6)n4)[nH]c3c2)cc1 587018142 XFDBPOUUJDSCDU-UHFFFAOYSA-N 411.486 6.081 0 1 HKAF FC(F)(F)Sc1ccc(/C=C\c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 587123847 HQPCGKYIBGRHBS-UTCJRWHESA-N 424.757 5.759 0 1 HKAF Cc1cc(Br)c(-c2nc3cc(Br)c(F)cc3[nH]2)cc1F 587137919 SGYYYJFWMONOLH-UHFFFAOYSA-N 402.036 5.342 0 1 HKAF CC(C)[C@@H](c1nc2ccc(C(F)(F)F)cc2[nH]1)N(C)C(=O)OCc1ccccc1 587197752 MGOAUQSKXGMQLX-SFHVURJKSA-N 405.420 5.547 0 1 HKAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 587200534 HDASIVGKOKMXPU-UHFFFAOYSA-N 405.285 5.387 0 1 HKAF CC(C)(C)OC(=O)N[C@H](c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C1CCCC1 587223423 AVNJNCVSBVINGS-AWEZNQCLSA-N 401.404 5.477 0 1 HKAF CC[C@@]1(c2c(F)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334600 PBSRGXBUUKCIFF-NZQKXSOJSA-N 414.835 5.988 0 1 HKAF C[C@@]1(CCOCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347002 KLUGYHRSGHIFIG-NOZRDPDXSA-N 406.453 5.256 0 1 HKAF COc1ccc([C@H]2C[C@@H]2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587348651 HKJOOLJOYYCMLL-APAYAGTCSA-N 418.464 5.461 0 1 HKAF CCc1c(-c2cn(CC)nc2C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587362354 IEPBGFBXPCSEJQ-UHFFFAOYSA-N 411.505 6.411 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@](C)(c2ccccc2)C3)c1 587366943 OTEQIVUQRHAPLO-MUUNZHRXSA-N 405.497 6.713 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(Sc4ccc(Cl)cc4)s1)[C@@H](C2)C3=O 587452608 RNGWKMBVDKXFDU-YCRPNKLZSA-N 414.935 6.050 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)CCN3C(=O)OC(C)(C)C)CC2=O 587474830 KFHWSMDQTYRCQC-QFIPXVFZSA-N 423.509 5.349 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cc(Cl)nc1Cl 587554929 YKSDSJZDGOEOAX-YJBOKZPZSA-N 422.651 5.450 0 1 HKAF CCCOc1cccc(Cc2nc3c(Br)ccc(Br)c3[nH]2)c1 587566845 BKEIGGSYXKSHJX-UHFFFAOYSA-N 424.136 5.468 0 1 HKAF CC(C)Cn1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21 587575586 GANYFURJCUBIJE-QPPBQGQZSA-N 414.461 5.101 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2sccc2nc1Cl 587618056 MHFOMMQZCAMICK-FXAWDEMLSA-N 409.850 5.358 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2oc3ccccc3c2c1 587618253 SULIJNPGSOGXQC-OZXSUGGESA-N 408.409 5.995 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccnc1 587754299 XXBHLTXMBNNJBP-QKVFXAPYSA-N 414.322 5.014 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C23CC(CC(=O)OC(C)(C)C)(C2)C3)N1 587795178 QUYZHGHKAACAPQ-XXURQJKVSA-N 424.354 5.066 0 1 HKAF COc1ccccc1[C@]1(C2CCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587810480 XPLDYBHSHIJXGO-FPTDNZKUSA-N 418.350 5.565 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C3CCCCC3)cc2)N1 587816098 UDWPCMIJRHQQOV-WNSKOXEYSA-N 416.378 6.434 0 1 HKAF CC(C)[C@@]1(CSc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587842804 GNSJLEDFIDOSEV-VBKZILBWSA-N 408.380 5.766 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2csc(Br)c2)N1 587850253 YDMSLLPIEMWYJW-GLEZIHRCSA-N 419.157 5.210 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Cl)cc1O 587853623 ANGRRMCQGYZFAO-UHFFFAOYSA-N 411.672 5.303 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C)c2cc(C)cc(C)c2n1 587862983 NZYAWZGVQNKKAT-UHFFFAOYSA-N 411.427 6.040 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1ccccc1F 587864059 BWQJEECYJPLWOO-UHFFFAOYSA-N 409.408 5.352 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccnc2c(C)ccc(Cl)c12 587867631 BINFUZVYZAURQS-UHFFFAOYSA-N 418.806 5.472 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccc2ccccc2c1 587870895 UTEWVGSQGJLWBP-MRXNPFEDSA-N 404.441 5.349 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSCc1ccccc1Cl 587871898 DWFOJFNRGSXFPC-UHFFFAOYSA-N 404.894 5.315 0 1 HKAF COc1cccc(-c2cc(O)cc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2)c1 587933123 KKJVHNTWLARTEQ-UHFFFAOYSA-N 420.778 5.025 0 1 HKAF COc1cccc([C@@]2(c3coc4ccc(O)cc34)NCCc3ccc(F)c(C)c32)c1 962150478 ZRJBLDBEZXRSSW-VWLOTQADSA-N 403.453 5.032 0 1 HKAF CCOC(=O)[C@H]1CC[C@@]2(C(CC)=C1C)c1ccsc1CCN2Cc1cccn1C 962402096 ZFAGOBYJRYLKIX-YADARESESA-N 412.599 5.040 0 1 HKAF COc1ccc2c(c1OC)[C@]1(CC[C@@H]1C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962682037 UJDMCOARKMGAPQ-RCDICMHDSA-N 419.443 5.046 0 1 HKAF CCCCOc1ccc(Cl)cc1[C@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962710817 OWPZONIJIWRZSW-UZUQRXQVSA-N 419.993 6.111 0 1 HKAF CC(C)(C)OC(=O)N[C@H]1CC[C@H](C[C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)CC1 963102123 KGCDABSGZICYMM-CJFIXGCPSA-N 402.554 5.361 0 1 HKAF CC[C@@H](C)Oc1ccc2c(c1Cl)CCN(Cc1ccc([C@H](C)NC(C)=O)cc1)C2 1772601490 MGJFQPQBPFHKFC-SJORKVTESA-N 414.977 5.273 0 1 HKAF COc1ccccc1-c1cc(CN2CCN(c3ccccc3OC)CC2)ccc1C 1772642459 WTFGXOKFZFZQTP-UHFFFAOYSA-N 402.538 5.001 0 1 HKAF CC(C)(C)c1ccc(-c2sc(C(=O)NCC3CCNCC3)cc2-c2ccoc2)cc1 1857568875 WFAAPWOZRRSXHB-UHFFFAOYSA-N 422.594 5.702 0 1 HKAF Oc1ccc(-c2cc3c(O[C@@H](c4ccccc4)C(F)(F)F)ncnc3s2)cc1 1857629930 WUBFVCRDMKEKNI-KRWDZBQOSA-N 402.397 5.746 0 1 HKAF Cc1snc(-c2ccc(Cl)cc2)c1COc1ccc(CCC(=O)O)c(C)c1C 1857633678 WRQMQOKAOWPCGF-UHFFFAOYSA-N 415.942 5.985 0 1 HKAF O=C1CC(c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)=Nc2cscc2N1 1857643242 XROQSOWOTUDSOK-UHFFFAOYSA-N 410.886 5.509 0 1 HKAF CC(=CCN1[CH]N(C)c2c(N)ncnc21)CC[C@]1(C)[C@H](C)CC[C@]2(C)C(C)=CCC[C@@H]21 2356322012 OHUBPGRYFJQQCJ-FJIJVGMHSA-N 422.641 5.960 0 1 HKAF CCCC[C@H](C)[C@@H]1CCC[C@H](OC)CC[C@H](C)C=C(C)C(=O)N2CCC[C@H]2C(=O)O1 2356325476 XWYPACJKLTZIII-KHKYPALMSA-N 421.622 5.277 0 1 HKAF CC(C)=CC[C@@H](O)C(C)=CCCC(C)=CCCC(C)=CCc1cc(O)cc(C)c1O 2356841149 NFFRHNZITCQLDW-AREMUKBSSA-N 412.614 7.065 0 1 HKAF Cc1ccc(Cc2c(-c3ccccc3)nc3c(Cl)cc(C(F)(F)F)cn23)cc1 95571278 SWGJLSGPKZXANY-UHFFFAOYSA-N 400.831 6.573 0 3 HKAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCc2ccc(F)cc2)cc1 775511 WIPBUVVBCANSND-UHFFFAOYSA-N 410.489 5.149 0 1 HKAF Fc1cnc(-c2cc(-c3cnnc(-c4c(F)cc(F)cc4F)c3)ccc2F)c(F)c1 3939420 AHHSTGLUTRNWRJ-UHFFFAOYSA-N 417.312 5.707 0 1 HKAF CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214099 LREMEYPTUKLECW-AYVPJYCDSA-N 414.590 5.244 0 1 HKAF CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215765 JWXIQYLENFIWIA-URPHZZJISA-N 424.585 5.377 0 1 HKAF CCOc1cc(Cl)ccc1OC[C@@H]1CN(Cc2ccc(Cl)cc2)CCCO1 13579739 UQZRGJCMXCCCFJ-IBGZPJMESA-N 410.341 5.062 0 1 HKAF CC(C)=CCc1cc2c(cc1O)OC[C@H](c1ccc(O)c(CC=C(C)C)c1O)C2=O 14780884 JBALWYDBIPVNKZ-HXUWFJFHSA-N 408.494 5.180 0 1 HKAF biogenic Cc1ccc(NC(=O)N(CC[C@@H](C)CC(C)(C)C)CC[C@@H](C)CC(C)(C)C)c(C)c1 26402865 ZXECXNOJDGKRGR-FGZHOGPDSA-N 416.694 8.062 0 1 HKAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4Cc5oc(C(=O)C(F)(F)F)cc5C[C@@]43C)[C@@H]1CC[C@@H]2O 27417581 BHPRNKARHZGVNR-VOKBRHSJSA-N 410.476 5.343 0 1 HKAF CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3ccc(C)cc3n2)c1)C(=O)O 28087956 MINFQFJDELKPIC-UHFFFAOYSA-N 420.509 5.342 0 1 HKAF CCCN(Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)CC1CC1 28462845 DKPZVFHLZSMRKB-UHFFFAOYSA-N 414.597 6.134 0 1 HKAF Clc1ccc(C[C@H]2CO[C@@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 28767800 GBJGAPFLPDIIAV-FXAWDEMLSA-N 423.727 5.354 0 1 HKAF O=C1OC[C@H]2[C@@H]1Cc1cc(F)ccc1[C@@H]2/C=C/c1ccc(-c2cccc(Cl)c2)cn1 28823202 AAWUYHSAVNUPEU-SRFLYUCYSA-N 419.883 5.683 0 1 HKAF COc1ccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(O)c(C(=O)O)c3c2)cc1 35087013 AJCJWBNYUGXOOT-UHFFFAOYSA-N 405.837 5.635 0 1 HKAF Cc1ccc(C2=NN(c3ccc(F)cc3)[C@H](c3ccc(C)cc3)[C@H]2n2ccnc2)cc1 40401525 SZGHZQBVOARPBS-FTJBHMTQSA-N 410.496 5.846 0 1 HKAF FC(F)C(F)(F)Sc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1 40505461 HYUOSCFPCRYPPJ-UHFFFAOYSA-N 421.246 7.001 0 1 HKAF CSc1nnc(-c2cc3c([nH]c4ccccc43)c(-c3ccc(N(C)C)cc3)n2)o1 40860620 GXCLINWOQGBHIT-UHFFFAOYSA-N 401.495 5.221 0 1 HKAF CCCN1C[C@H](C(=O)OC2CCCCC2)C[C@@H]2c3cccc4c3c(cn4C(C)C)C[C@H]21 58563624 DMUHENPSSYBMDZ-QFZRFWILSA-N 422.613 5.838 0 1 HKAF C[C@@H](F)CCCC12CCC(c3nnc(-c4ccccc4C(F)(F)F)n3C)(CC1)CC2 71316422 ZTWDQFBBGCYGMR-NYYVNYEXSA-N 423.498 6.621 0 1 HKAF O=C(c1ncc(-c2ccccn2)o1)[C@@H]1CCc2cc(OCc3ccccc3)ccc2C1 71329096 PSMKDAOLSHXOGN-OAQYLSRUSA-N 410.473 5.303 0 1 HKAF COc1ccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3cccc(C)c3)n2)cc1 82173957 SRKDMRFDAZRSBU-UHFFFAOYSA-N 414.509 5.387 0 1 HKAF CC[C@@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82184856 UBZRSIYBYRKNQP-OAHLLOKOSA-N 421.932 5.511 0 1 HKAF O[C@@H](Cn1c2ccccc2c2ccccc21)[C@@H](O)Cn1c2ccccc2c2ccccc21 84689945 JFZFGPGRUNJFHN-NSOVKSMOSA-N 420.512 5.324 0 1 HKAF COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)N2CCC[C@@H](C)C2)cc1 95589374 ZPNDWRYYRUUXLA-SCSQGXSYSA-N 421.537 5.155 0 1 HKAF CC1=C(CC[C@@](C)(O)/C=C/C/C(C)=C/CCC2=CC(=O)O[C@H]2O)C(C)(C)CCC1 96921462 GSUNQYAOGZKXEY-QKHMKDBOSA-N 402.575 5.519 0 1 HKAF Nc1sc(-c2ccc(F)cc2)c(-c2ccc(Cl)cc2)c1C(=O)N1CCCC1 103143197 NLKGCTBUODDTCO-UHFFFAOYSA-N 400.906 5.693 0 1 HKAF COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4cccc(O)c4)C3=C(O)C2)cc1 104690430 VCUWGAPNNKGXDP-QYBDOPJKSA-N 412.489 6.030 0 1 HKAF NC1(c2ccc(-c3nc4ccc(Br)cn4c3-c3ccccc3)cc2)CCC1 113656137 KKDGQLCPXPQQJS-UHFFFAOYSA-N 418.338 5.769 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118936887 VETZNBAGZJYCQT-CCSKIALBSA-N 414.674 7.102 0 1 HKAF endogenous,in-man CCCCC1([C@@H](O)/C=C/[C@H]2CCC(=O)[C@@H]2CCCCC(C)(C)CC(=O)O)CCC1 169315232 GZVDKGJRCMHHOV-NEXFGIEHSA-N 406.607 5.921 0 1 HKAF COc1ccc(CNc2nc(NCc3ccccc3)c3ccc(Cl)cc3n2)cc1 169337364 KILOALAJWWDJIO-UHFFFAOYSA-N 404.901 5.516 0 1 HKAF CCC[C@H]1CC(=O)[C@@H]2C(=NC(C)=C(C(=O)OC)[C@@H]2c2ccc(-c3ccccc3)cc2)C1 169728288 DRYQKAWCIABIBK-LROUJFHJSA-N 415.533 5.734 0 1 HKAF CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc(-c2cn[nH]c2)cc1)c1ccccc1 218460818 RVEXSANRANMYDI-NVKJLCBYSA-N 420.512 6.544 0 1 HKAF CC(C)=CC(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@H](CC[C@H](C)CCO)[C@@](C)(O)CC[C@H]12 238768651 DNPNGMPLSLKKCQ-AHSVDLCGSA-N 408.623 5.268 0 1 HKAF Cc1ccc(/C=C2\CN(C)C[C@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(C)cc2)cc1 253752494 LESIUXAPNLUCAI-YSVXISHPSA-N 407.561 5.866 0 1 HKAF COn1c2ccccc2c2cc(COCc3ccc4[nH]c5ccccc5c4c3)ccc21 473152684 VGCTWZOPPKWZTP-UHFFFAOYSA-N 406.485 6.204 0 1 HKAF CCCCOc1cc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Br 586885045 TYVHCALRNURMKO-ZYKFEASCSA-N 403.364 5.972 0 1 HKAF COC(=O)c1ccc(Oc2ccc3[nH]c(-c4oc5c(c4C)[C@@H](O)CCC5)nc3c2)cc1 586905385 NKIKOJXTBRTSKX-IBGZPJMESA-N 418.449 5.080 0 1 HKAF O=S(=O)(Cc1ccccc1-c1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccccc1 586921779 MMYASGQITCZABF-UHFFFAOYSA-N 417.317 5.511 0 1 HKAF CCOc1ccc(Cl)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986159 OEWNCQKHHZHNPB-UHFFFAOYSA-N 401.849 5.871 0 1 HKAF Cc1cc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2cc1C 586997957 GDXHUZWRRNYQPK-UHFFFAOYSA-N 407.311 6.188 0 1 HKAF Clc1ncnc2[nH]c(-c3ccccc3OCc3ccc(Br)cc3)nc12 586998290 HWUUZQVGNWTREK-UHFFFAOYSA-N 415.678 5.015 0 1 HKAF CCCOc1cc2[nH]c(-c3cc4c(s3)CC[C@H](C)C4)nc2cc1Br 587033211 HFYIYUWIMCBOHR-NSHDSACASA-N 405.361 5.968 0 1 HKAF FC(F)(F)c1ncc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc-2[nH]1 587049203 IQZTYRDVKUPPHJ-UHFFFAOYSA-N 424.813 6.464 0 1 HKAF O=c1ccc(-c2nc3cnc4ccccc4c3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587054893 JCDALMZPPFOZLY-UHFFFAOYSA-N 421.287 5.295 0 1 HKAF Cc1cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2cc1Cl 587057956 XNMHGZCAAXFZRC-UHFFFAOYSA-N 407.684 6.671 0 1 HKAF Clc1ccccc1-c1nc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)co1 587060376 DLQJOOOZLNQQPD-UHFFFAOYSA-N 401.853 6.117 0 1 HKAF Cc1ccc(-c2cc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)c3cccc(Cl)c3n2)o1 587083261 LFURHLMKUJBXBF-UHFFFAOYSA-N 415.924 7.297 0 1 HKAF CSc1ccc(-c2nc3c(C)ccc4c3c(c2CC(C)=O)-c2ccccc2C4=O)cc1 587103617 YRENVVLYMZRWQT-UHFFFAOYSA-N 423.537 6.275 0 1 HKAF Cc1c(Br)cc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2c1C 587109077 RPEGWEBOBRUSKS-UHFFFAOYSA-N 413.193 5.326 0 1 HKAF O=C(Nc1cccc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1)c1ccc(F)cc1 587164237 YTLKRIWCELLCII-UHFFFAOYSA-N 401.228 5.323 0 1 HKAF C[C@@H](Oc1ccc(F)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587169498 XYBRUTHFNVZFSE-MRVPVSSYSA-N 403.173 5.623 0 1 HKAF Brc1cc(Br)c2c(c1)Cc1c-2nc2cccc3c2c1CC3 587208685 XIRASAMNFZHIFE-UHFFFAOYSA-N 401.101 5.430 0 1 HKAF Clc1ccc([C@H]2Cc3c(nc4cccc5c4c3CC5)-c3ccccc32)cc1Cl 587209270 MKOPQYQUMOSCGJ-LJQANCHMSA-N 402.324 6.995 0 1 HKAF COc1ccccc1Nc1ccccc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587240998 URAUBZILHKIVRQ-UHFFFAOYSA-N 421.504 5.814 0 1 HKAF Cc1ccc([C@@H]2CCC[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 587353651 LNHHQCCNXKDENM-LLZJGCNPSA-N 402.465 5.905 0 1 HKAF COc1cccc(-c2cc(CC(=O)c3ccc(F)cc3)nc3c2oc2ccccc23)c1 587361323 XHUQCGBTQFUDOZ-UHFFFAOYSA-N 411.432 6.221 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccccc2[C@@H](C(=O)O)C3)c1 587365541 ITZXROCRAVDHPR-FQEVSTJZSA-N 421.452 6.048 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cccc(C(=O)O)c2C3)c1 587367125 TTWQHKAMZROPMX-UHFFFAOYSA-N 407.425 5.926 0 1 HKAF C[C@]1(c2cc3sccc3s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587372296 ILMKVJVYQFNCGV-RBBKRZOGSA-N 410.491 6.082 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-c3ccc(Cl)cc3F)s1)O2 587384786 ITSLJPOGVIQVRL-NRFANRHFSA-N 401.890 5.979 0 1 HKAF CCCc1ccc([C@]2(CCCC(=O)O)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587490226 QYMYUPHPOHGVFM-VWLOTQADSA-N 410.510 5.413 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCC)([C@@H](CC)Sc1ccoc1C)CC2=O 587491152 JLXZKKUAACUUSF-FYYLOGMGSA-N 402.556 6.321 0 1 HKAF CCCc1c(O)ccc2c1O[C@H]([C@@H](c1ccccc1)c1cc(C)ccc1C)CC2=O 587491341 WZACQSXWJRBBRM-UIOOFZCWSA-N 400.518 6.127 0 1 HKAF C[C@]1(c2ccc3ccccc3c2OC(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587509058 WCOWWIAAXGQTSL-RUZDIDTESA-N 408.444 6.201 0 1 HKAF O=C1C[C@H](c2ccc(OCc3ccccc3)cc2O)Oc2c1ccc1c2CCCC1 587522908 IZVSRENCLQZSLL-RUZDIDTESA-N 400.474 5.557 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1OC(F)F 587558226 VQTLGTIEJOZUNB-PXNSSMCTSA-N 418.779 5.350 0 1 HKAF CCCOc1cccc(Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1 587567682 IXZBEKNBCTYQJX-UHFFFAOYSA-N 417.347 5.740 0 1 HKAF C[C@]1(c2csc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611257 GAXUMTGZSHIJDP-QFBILLFUSA-N 417.280 5.093 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(Cl)c2Cl)N1 587716805 DZJGJDRHUJFANA-GYKQLYQFSA-N 407.085 5.658 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2Br)N1 587726303 ICLCJLOBDVZPOX-ZKANADHPSA-N 417.091 5.113 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2Cc2ccccc2F)N1 587726327 IJTUKPZFKYNLME-ZSEKCTLFSA-N 417.297 5.201 0 1 HKAF Cc1[nH]c2c(C)ccc(C)c2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587805978 UECKXTYLVVKWFA-XUSGNXJCSA-N 401.323 5.618 0 1 HKAF CC1=C(CC[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)CCC1 587812217 JFEYGAIRDYCLAZ-NYHFZMIOSA-N 408.399 6.644 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2ccccc2)(c2ccccc2)N1 587815876 QWECQLVFUAGRSO-IQMFZBJNSA-N 424.313 5.249 0 1 HKAF Cc1ccc([C@@]2(C3CCCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587819158 LNGJNFUHHBVMDW-OYHNWAKOSA-N 402.351 5.865 0 1 HKAF COc1ccc([C@@]2(c3ccco3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587831691 XYSFEFGVZADJHT-LRTDBIEQSA-N 416.290 5.016 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccccc3)cs2)N1 587846876 JCQFMRWPBNQXJQ-FKIZINRSSA-N 402.332 5.940 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCN(Cc3cccs3)CC2)N1 587850954 GWJNZXJIXDVYHP-RBZFPXEDSA-N 423.395 5.137 0 1 HKAF Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)sc2ccccc12 587853142 KYHUUMJBRXXJMW-YBTHPKLGSA-N 404.348 5.909 0 1 HKAF CC1=CSc2ccc(Cl)cc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587855867 KJWDEFLBTRZBSF-NSPYISDASA-N 424.766 6.029 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 587869551 MELBCELLUDQJJA-LBPRGKRZSA-N 423.271 5.502 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(C)C1CCSCC1 961781390 XLWHIHBNJJINQD-QHCPKHFHSA-N 402.604 5.196 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@H]1c1ccc(-n2ccnc2)cc1Cl 962376151 UMBSVDUNPZKYSI-JOCHJYFZSA-N 408.958 5.073 0 1 HKAF O=C(O)c1cccc(-c2ccc([C@@H]3NCCc4cccc(-c5ccccc5)c43)s2)c1 962670079 UONGEUOQOLERBM-VWLOTQADSA-N 411.526 6.015 0 1 HKAF CC(C)c1ccc([C@@]2(c3ccc(N)cc3)NCCc3cc(-c4ccccc4)ccc32)cc1 962672392 XEKZZLJHDHAAHJ-PMERELPUSA-N 418.584 6.497 0 1 HKAF CCCCOc1ccc(Cl)cc1[C@@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962710815 OWPZONIJIWRZSW-HXOBKFHXSA-N 419.993 6.111 0 1 HKAF COc1ccccc1[C@@]1(CCc2ccccc2C)c2c(F)cccc2C[C@@H]2CCCN21 963102912 NVFFWBZLRSUFEW-FIPFOOKPSA-N 415.552 6.040 0 1 HKAF CCCOc1c(Cl)cc([C@@H]2c3c(F)cccc3C[C@H]3CCCN32)cc1OCC 963107119 NRJNVUMGAAJSIF-VGOFRKELSA-N 403.925 5.777 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@]2(c1ccc(Cl)cc1)c1ccc(Cl)nc1 963257959 MIKUECUDAVPWDT-OAQYLSRUSA-N 419.739 5.488 0 1 HKAF c1ccc(COc2ccc3[nH]c4c(c3c2)CCN[C@H]4c2ccc(N3CCCC3)o2)cc1 963816629 GCDWEXKNOUDARH-SANMLTNESA-N 413.521 5.175 0 1 HKAF C=CC(=O)Nc1cccc(Cl)c1Nc1ncc(OCc2ccccc2Cl)cn1 1772610785 WHBVZSCBCZZMKY-UHFFFAOYSA-N 415.280 5.231 0 1 HKAF Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc(Cl)cc3)cc21 1857749948 ROYGPAWRTBPLER-UHFFFAOYSA-N 408.841 5.296 0 1 HKAF O=S(=O)(c1ccccc1)N1C[C@H](c2cccc3ccccc23)Oc2ccccc21 1857762782 WOHPDESQLHPWOK-XMMPIXPASA-N 401.487 5.169 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356387649 CMDFMNRXDJEXBA-UYKNGDMBSA-N 400.691 7.923 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356478780 RTLUSWHIKFIQFU-VVSWNOLZSA-N 412.702 8.089 0 1 HKAF CN[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3CC[C@@H]4C(=CC3=C[C@]12C)CC[C@H]1N(C)COC[C@]41C 2356703974 CLOHFGOUJBKJFY-UBFCCQKUSA-N 412.662 5.388 0 1 HKAF CC(=CCCC(C)=CCCc1ccoc1)CCC=C1CC[C@@H]([C@H](C)C(=O)O)OC1 2356805280 ZRECXISCDXJZIP-URXFXBBRSA-N 400.559 6.491 0 1 HKAF Cc1ccc(Cl)cc1Nc1nc(-c2sc(NC(=O)C(C)(C)C)nc2C)cs1 8691891 OXDNZCDKJLKKIU-UHFFFAOYSA-N 420.991 6.265 0 3 HKAF CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1 5916704 IJULURRDAJBGTI-GFCCVEGCSA-N 419.978 5.686 0 1 HKAF Cc1oc(C2CCCCC2)nc1Cc1cc2cc(C[C@H]3SC(=O)NC3=O)ccc2o1 6147901 XXKAXTNORXWSNL-HXUWFJFHSA-N 424.522 5.262 0 1 HKAF O=C(O)CCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 13448446 FBBHAMVBCFFNLA-UHFFFAOYSA-N 410.517 6.529 0 1 HKAF CSc1ccc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3)c2c1 26169529 JHBYRZSUHHPOCR-UHFFFAOYSA-N 421.472 6.546 0 1 HKAF c1ccc(CN[C@@H]2C3[C@@H]4CCC[C@@H]3CN(C4)[C@H]2C(c2ccccc2)c2ccccc2)cc1 26718937 FYFPUCQHJNRILA-JQYHKRKISA-N 422.616 5.707 0 1 HKAF Cn1c2c(c(=O)c3cc(Cl)ccc31)C(=O)C[C@@H](c1ccc(Cl)c(Cl)c1)C2 27087937 NGBMYZBZTIIDLG-NSHDSACASA-N 406.696 5.411 0 1 HKAF CCOP(=O)(OCC)[C@@H](CCCCOc1ccc(OC)cc1Cl)C(C)=O 27751138 YSUQWZYLIBTAOC-SFHVURJKSA-N 406.843 5.121 0 1 HKAF COc1ccc(Br)cc1[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 40428676 CRMXYFHXROCNSR-CQSZACIVSA-N 418.234 5.262 0 1 HKAF O=C1c2ccccc2[C@](OCCc2ccccc2)(c2ccccc2)N1Cc1ccccc1 40567737 PWXRROQZNLIFGO-GDLZYMKVSA-N 419.524 5.803 0 1 HKAF Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2onc(C)c2-c2ccc(Cl)cc2)N3C)cc1 40892258 YMCSFRMHHAIMBT-NXYDZRKXSA-N 406.957 6.346 0 1 HKAF COc1cc(C2c3c(ccc4ccccc34)Oc3ccc4ccccc4c32)ccc1O 45286479 HNPWKUCEUDCACA-UHFFFAOYSA-N 404.465 6.993 0 1 HKAF COc1ccccc1[C@@H]1N=NC(C2=C(O)c3ccccc3C2=O)=C[C@H]1c1ccccc1 68582448 QQLADQBGQNDNSN-RDPSFJRHSA-N 408.457 6.035 0 1 HKAF biogenic C[C@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1-c1ccc(OC(F)(F)F)cc1 72106677 ARWOCFJIVTVKBD-BBRMVZONSA-N 406.400 5.352 0 1 HKAF Fc1ccccc1-c1nc(NCc2ccccc2)ncc1-c1nc2ccccc2s1 82175987 APVUWBRSTWWFIE-UHFFFAOYSA-N 412.493 6.172 0 1 HKAF COC(=O)NCCc1c[nH]c2ccc(OCc3cccc(Oc4ccccc4)c3)cc12 95593491 YLFRKGKXHLYFCJ-UHFFFAOYSA-N 416.477 5.438 0 1 HKAF C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 137558378 CQSRUKJFZKVYCY-QNSARBLZSA-N 414.718 8.025 0 1 HKAF Cc1cc(CNc2c(F)ccc(OCC(=O)O)c2F)c(F)c(-c2cccc(F)c2)c1 148798038 FULYHYRUWLGJMJ-UHFFFAOYSA-N 419.374 5.294 0 1 HKAF CC(C)NC[C@@H](O)COc1c(C(C)(C)C)cc(/C=C/c2ccccc2)cc1C(C)(C)C 169315721 HZZLFCTXTCSMBF-WOOPDLCSSA-N 423.641 6.190 0 1 HKAF CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc(-n2ccnc2)cc1)c1ccccc1 218460599 STHXDTUSPQEIPI-NVKJLCBYSA-N 420.512 6.339 0 1 HKAF COc1cc(OC)c2c(c1-c1c(C)cc3cccc(OC)c3c1O)C[C@H](C)N(C)[C@@H]2C 238787117 NNJPNEIAOPIFMB-JKSUJKDBSA-N 421.537 5.484 0 1 HKAF CC(C)=CCCC[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 255260737 QFPQAPVPUNXXDR-SVQMQDAJSA-N 412.702 8.233 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](CO)[C@@H]1CC3 261497581 ORZKEIGPXNMCHC-ALPSUIDXSA-N 414.674 6.671 0 1 HKAF endogenous,in-man CCOc1cccc(N2[C@H](c3ccccc3)[C@@]23C(c2ccccc2)=Nc2ccccc23)c1 299847280 LWSQUDITYPSJAA-FYZJSYNQSA-N 416.524 6.677 0 1 HKAF NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2cccc(-c3ccccc3)c2)CC1 299869559 UZJPLAPSOZLDOT-DPPGTGKWSA-N 412.577 5.519 0 1 HKAF Cc1ccc2c3c(cc(CCN(C)C(=O)OC(C)(C)C)nc13)-c1ccccc1C2=O 586994813 AQTYWCARUHCCJV-UHFFFAOYSA-N 402.494 5.164 0 1 HKAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)s1 587014667 OJWGIYGAAPIBPB-QMMMGPOBSA-N 406.380 5.141 0 1 HKAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)s1 587023947 XNSLJJITMSEMMU-UHFFFAOYSA-N 402.373 5.191 0 1 HKAF COc1cc(/C=C\c2nc3ccc(OC(C)C)cc3[nH]2)cc(Cl)c1OCC(C)C 587046665 JDPMMLGJSHLUTD-TWGQIWQCSA-N 414.933 6.217 0 1 HKAF C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(F)cc2[nH]1 587055380 PWAGNAINXSWPRV-LBPRGKRZSA-N 417.267 6.941 0 1 HKAF COc1nccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 587064394 RUUZORDIXGAWSD-UHFFFAOYSA-N 418.884 5.321 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587073986 OUIPEURDWWUIRG-UHFFFAOYSA-N 424.935 6.690 0 1 HKAF Fc1ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2c1Br 587075463 DWZUJGSWQAYZMT-UHFFFAOYSA-N 402.654 5.847 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2c1 587084217 JTPXNPDROWABNA-UHFFFAOYSA-N 405.729 5.729 0 1 HKAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 587094623 FKEBGQKNYVPEEF-UHFFFAOYSA-N 402.294 5.429 0 1 HKAF COc1cccc([C@@H]2CC(=O)Cc3nc4c(C)ccc5c4c(c32)-c2ccccc2C5=O)c1 587098952 WEOTUBGQTYUKPH-QFIPXVFZSA-N 419.480 5.410 0 1 HKAF CCCCCOc1cc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2cc1Br 587161590 OPEGLUMWFWYLMM-HOTGVXAUSA-N 417.322 6.305 0 1 HKAF Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)c1coc2ccc(Cl)cc12 587278477 OFBIMHHYTHEKFB-UHFFFAOYSA-N 421.827 6.768 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCc3ccc(Cl)cc3C2)[C@@H]1c1ccc(F)cc1 587326467 BVOPYFCWTZSZEN-ISKFKSNPSA-N 408.856 5.471 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCc3ccc(Cl)nc32)[C@H]1c1ccc(F)cc1 587330750 OYVZXECPJAIQDO-NZQKXSOJSA-N 409.844 5.170 0 1 HKAF Cc1coc2c1[C@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358613 WVAWRXBBULUXCA-DHLKQENFSA-N 406.453 5.660 0 1 HKAF CCN(CC)[C@H]1CCCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587358665 AMUGCHHXFJQDID-NRFANRHFSA-N 400.522 6.376 0 1 HKAF COC(=O)c1cc(F)cc(-c2cccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)c1 587386930 XYTOLFWTKRAKDL-VWLOTQADSA-N 419.452 5.051 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1cc(C(F)(F)F)ccc1C(F)(F)F)[C@@H](C2)C3=O 587418197 BFKQYBZFBHYDOB-KSSFIOAISA-N 416.317 5.396 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCOc3c1ccc(Cl)c3Cl)CC2=O 587460804 IINGLXIODIARAF-OAQYLSRUSA-N 407.293 5.685 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(NC(=O)C(C)(C)C)cccc1OC)CC2=O 587471064 QGGMQGSVAHKLBM-FQEVSTJZSA-N 411.498 5.044 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCc3cccc(OC)c3)c1)CC2=O 587476420 CLGZHYJKJPYFBV-RUZDIDTESA-N 418.489 5.639 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CCC[C@H](C1)N2C(=O)OC(C)(C)C 587489925 WXKWFRBJXQKTNT-FJPDQZSFSA-N 415.530 5.001 0 1 HKAF CCCc1ccc([C@@]2(CCCC(=O)O)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587490223 QYMYUPHPOHGVFM-RUZDIDTESA-N 410.510 5.413 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CSc1nc3ccccc3[nH]1)(C1CC1)CC2=O 587494003 VODGBWJYOMVRKI-QHCPKHFHSA-N 408.523 5.127 0 1 HKAF CCOC(=O)[C@H](Cc1ccc(C)cc1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526865 UPWFXOMYLNRFQK-BKMJKUGQSA-N 406.522 5.020 0 1 HKAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(F)(F)F)c1 587543942 CWJAHSVWXXZNMM-NQIIRXRSSA-N 416.351 5.123 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1cccs1 587572913 UGGMCBWMRXJILT-QPPBQGQZSA-N 418.445 5.498 0 1 HKAF CCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(OC)ccc21 587579537 URCSPUARHXZKBE-WIOPSUGQSA-N 415.445 5.078 0 1 HKAF Cc1ccc(-c2n[nH]cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587591205 BMLAHVASKWGPLG-OFVILXPXSA-N 412.445 5.102 0 1 HKAF CC(C)c1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2c1c(Br)cc1n[nH]cc12 587622465 BPLYYYNAKPXGKJ-JTQLQIEISA-N 421.339 5.516 0 1 HKAF Cc1cc(C)cc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587711701 YATZCJXHSZFFPU-KZULUSFZSA-N 416.256 5.545 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2F)N1 587715397 HMMNWUDUMFMULL-BCTVWOGZSA-N 417.091 5.113 0 1 HKAF CC(C)Cn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587756819 MHXBKKXOUUYKAM-PEBXRYMYSA-N 415.350 5.823 0 1 HKAF CCn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(OC)ccc21 587760067 WXIGCDGOWFGVBI-QKVFXAPYSA-N 417.322 5.195 0 1 HKAF CC[C@@H]1c2cc(OC)ccc2CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587807271 KPYCRUZOVZNUCZ-CYYCYGDNSA-N 418.350 5.466 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cc3ccccc3)cc2)N1 587814047 FSBGZFDWKXHGBF-GYCJOSAFSA-N 424.357 5.977 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H](c3ccccc3)C2)N1 587818028 OQZLRHOGENFKBD-QRFQSNJMSA-N 402.351 6.066 0 1 HKAF Cc1ccc([C@]2(c3ccco3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587830340 SPKSSUGAYKIDSR-LHSJRXKWSA-N 400.291 5.316 0 1 HKAF CC[C@]1(c2ccc3c(c2)CCCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 587836061 RHWOVFJPYZXHFX-YEJXKQKISA-N 404.323 5.101 0 1 HKAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc2c1OC(C)(C)C2 587836258 ZFKSUXMMUHRDDP-BUXKBTBVSA-N 404.323 5.234 0 1 HKAF Cc1ccc(SC(C)(C)[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587841839 SCBYBUUZIWTINU-BFUOFWGJSA-N 408.380 6.043 0 1 HKAF O=C(c1ccccc1COc1ccc(F)cc1F)n1nc2cc1Oc1ccc(F)cc1-2 587874365 XIUNTEQIPNQRNN-UHFFFAOYSA-N 422.362 5.341 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 587945447 FDPCECVREPEVCL-VOQZNFBZSA-N 423.532 5.542 0 1 HKAF Cc1c(Br)ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587949253 CUPYCGJUGIKGPQ-SDNWHVSQSA-N 405.295 6.597 0 1 HKAF CC(F)(F)c1nn2cc(-c3cc4ccc(OCc5ccccc5)cc4o3)nc2s1 653758351 XJYCSAVVRADENJ-UHFFFAOYSA-N 411.433 5.895 0 1 HKAF Clc1ccccc1-c1nc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)co1 961318073 FLWWGKBXRBHMIS-GOSISDBHSA-N 415.718 5.525 0 1 HKAF CCCOc1ccc([C@@]2(CCCCCC(=O)O)NCCc3ccc(F)c(C)c32)cc1 962300620 PUNJPNJGVHVHLN-RUZDIDTESA-N 413.533 5.347 0 1 HKAF COc1cccc(-c2cccc([C@@H]3c4c(ccc(OC)c4OC)C[C@@H](C)N3C)c2)c1 962619697 FLEZPJPJJRTJPT-CRICUBBOSA-N 403.522 5.345 0 1 HKAF Cn1nc(-c2ccccc2)c2cc([C@H]3c4ccc(F)cc4C[C@@H]4CCCN43)sc21 963091743 JSZPXWZPCGDELD-FDDCHVKYSA-N 403.526 5.551 0 1 HKAF O=C(O)c1ccccc1[C@@]1(c2ccc(Cl)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963110224 MTHCZOZNHRILQR-NBGIEHNGSA-N 421.899 5.490 0 1 HKAF COc1ccccc1[C@@]1(CCc2cccc(F)c2)c2c(F)cccc2C[C@H]2CCCN21 963115210 VCSPGJWHOWTSGJ-AMGIVPHBSA-N 419.515 5.870 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccc(-c2cccc(C(F)(F)F)c2)s1 963233990 DQVPVLZQKMUODI-QMHKHESXSA-N 415.524 7.180 0 1 HKAF Cc1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)n3c2CCO[C@H](C)C3)cc(C)n1 1772587910 CQKMWVDCJKSOEX-CQSZACIVSA-N 402.325 5.497 0 1 HKAF COc1ccc(Nc2ncnc3c2[C@@H](c2ccc(Cl)cc2)c2c(n[nH]c2C)O3)cc1 1772645980 DEDRMINSRYNLIA-SFHVURJKSA-N 419.872 5.200 0 1 HKAF CCc1sc2ncnc(N[C@H](Cc3ccccc3)C(=O)O)c2c1-c1ccccc1C 1857559202 BJYZTAWEBOABQO-GOSISDBHSA-N 417.534 5.337 0 1 HKAF Oc1ccccc1-c1cc(-c2ccc(C(F)(F)F)cc2)nc2c1Cc1cccc(O)c1-2 1857571126 QEJMFNSOIBRCBD-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF COc1cc(-c2ccc(OCCC(C)C)cc2)c(OC)c(O)c1-c1ccc(O)cc1 1857762524 CVAQCUFVFMUERM-UHFFFAOYSA-N 408.494 5.874 0 1 HKAF CC(C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](C)CC[C@]4(C)C3=CC[C@]21C 2356329030 PZXKVMLXLHHEGS-VGBGDVSCSA-N 424.757 9.300 0 1 HKAF CC(C)[C@H]1[C@@H](C)[C@H]1C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356528747 GOZWAAJAKSAXBZ-IROPLSJTSA-N 412.702 7.491 0 1 HKAF COc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NCC1CCCCC1 775029 VPHZGNHMOVJFTC-UHFFFAOYSA-N 408.473 5.466 0 1 HKAF COc1ccc(C2=Cc3ccc(C(=O)O)cc3OC2)cc1C12CC3CC(CC(C3)C1)C2 26385838 HCERSGNVDIKWSP-UHFFFAOYSA-N 416.517 5.794 0 1 HKAF Cc1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccc(S(C)(=O)=O)cc2)cc1Cl 27094944 AJSWTVNFTGRBKU-UHFFFAOYSA-N 414.836 5.128 0 1 HKAF CCOc1cc2c(cc1OC(C)=O)CCC[C@H]1[C@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]12 38990969 HWAVFONLHJLREU-PROVFDEWSA-N 414.542 5.189 0 1 HKAF COc1cc2c(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)[C@@H](C(F)(F)F)CCC2 40402464 UOYMONBFUXQTMB-FUDKSRODSA-N 418.503 5.260 0 1 HKAF CSc1nc(-c2ccnc(N[C@H]3CCc4ccccc43)c2)c(-c2ccc(F)cc2)[nH]1 40430813 PBUYEKLDYWMODR-FQEVSTJZSA-N 416.525 6.099 0 1 HKAF CN(Cc1ccc(-c2ccc(CN(C)C3CCCCC3)cc2)cc1)C1CCCCC1 40567058 QDVWETVNLSAZBK-UHFFFAOYSA-N 404.642 6.883 0 1 HKAF c1cc(CNC2CCCC2)cc(-c2ccc(CNc3ccc4ncccc4c3)cc2)c1 45195686 PSCXKBGFFAQESS-UHFFFAOYSA-N 407.561 6.546 0 1 HKAF CC1=C(c2ncc(-c3ccccc3)o2)[C@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 45245969 KMBHULIJMNTGRT-NRFANRHFSA-N 423.303 6.291 0 1 HKAF O=C(Nc1ccc(Cl)cc1)Nc1ccc(Oc2ccc(-c3nccs3)cc2)cc1 49803884 LWGIAQLPGMIPKE-UHFFFAOYSA-N 421.909 6.900 0 1 HKAF CC(C)=CCC[C@@]1(C)C=Cc2c(ccc3c2OC[C@@H]2c4cc5c(cc4O[C@H]32)OCO5)O1 59729447 BRJDSJJWJLKHSZ-BAEUJYSMSA-N 418.489 5.936 0 1 HKAF CN1[C@H]2CC[C@@H]1[C@@H](CNc1cccc(Br)n1)[C@@H](c1ccc(Cl)cc1)C2 68267984 RZDYKEZBUSRGJW-XWTMOSNGSA-N 420.782 5.176 0 1 HKAF O=C(c1cc2ccccc2o1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1 71316114 ZLLXQWDJTXRRDP-NRFANRHFSA-N 400.865 6.078 0 1 HKAF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCCCC2)nc1-c1cccc(C)c1 82147573 HYYHABHKEUOHTQ-UHFFFAOYSA-N 414.553 5.105 0 1 HKAF Cc1ccccc1Nc1nc2cc(C(N)=O)ccc2n1Cc1cccc2ccccc12 82191400 SZBFKGSMAZPIRQ-UHFFFAOYSA-N 406.489 5.389 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(N)c(C)c(C)c2O1 95576064 GHDZONCMHVAJOW-XZXLULOTSA-N 423.685 8.477 0 1 HKAF CCc1nc2cc(O)ccc2c(Oc2cccc(/C=C/C(=O)O)c2)c1-c1ccccc1 101027120 OFUCLUDWVJQMNY-SDNWHVSQSA-N 411.457 6.060 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118936888 VETZNBAGZJYCQT-ISELYMISSA-N 414.674 7.102 0 1 HKAF endogenous,in-man CC(C)(C)Oc1cccc(Nc2ccc(Oc3ncccc3C(F)(F)F)cc2)n1 139277878 DFPYWSCIAGBUAT-UHFFFAOYSA-N 403.404 6.209 0 1 HKAF NC(=O)c1nn(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c2ccc(F)cc12 199098130 ZRPHPYTYLKZKRS-UHFFFAOYSA-N 415.346 5.075 0 1 HKAF O=C(Nc1nc2ccc3[nH]ncc3c2s1)C1(Nc2ccc(Cl)cc2)CCCC1 202049640 NDXNILZHRORWQJ-UHFFFAOYSA-N 411.918 5.189 0 1 HKAF Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(Cc2ccccn2)CC1 222210652 UOWDGRXBJGRHBI-UHFFFAOYSA-N 401.941 5.327 0 1 HKAF COC(=O)c1c(/C=C/c2ccccc2)cc(O)c(C/C=C(\C)C/C=C/C(C)(C)O)c1O 238766918 VBMULIYRQCOLAA-RWMQGSNVSA-N 422.521 5.261 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257439252 HTSZYABTPJLOMH-ABCNSMRKSA-N 418.706 6.830 0 1 HKAF endogenous,in-man O=C1c2cc(COc3ccccc3)nn2CCC1(Cc1ccccc1)Cc1ccccc1 299840218 VZOWQQWWSVYJBQ-UHFFFAOYSA-N 422.528 5.520 0 1 HKAF Oc1ccc(-c2ccccc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1 473155211 QHBYDYIKFYPPNE-UHFFFAOYSA-N 404.469 6.248 0 1 HKAF FC(F)(F)c1c(Br)ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c12 586885266 LTIGLWDFCVCOKY-KZULUSFZSA-N 407.233 5.716 0 1 HKAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 586885660 COXCIEAEQMVNBK-MGPLVRAMSA-N 402.338 5.746 0 1 HKAF COc1cc(/C=C\c2nc3cccc(C(C)(C)C)c3[nH]2)cc(Cl)c1OCC(C)C 587046850 NJPIPVXAHIEYTB-KHPPLWFESA-N 412.961 6.728 0 1 HKAF Fc1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2c(F)c1F 587060732 SQTJOZOMTALAIQ-UHFFFAOYSA-N 409.798 6.516 0 1 HKAF Cc1onc(-c2nc3c(C(F)(F)F)cccc3[nH]2)c1COc1ccccc1Cl 587063201 HVEBWKYGEZGVPJ-UHFFFAOYSA-N 407.779 5.778 0 1 HKAF CC(C)c1ccc(NC(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587104732 VKTYOXOZGPKZMV-UHFFFAOYSA-N 406.485 5.751 0 1 HKAF Cc1ccc2c(c1)CCCN2[C@H](C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106942 PDCRKDAGJMXZEM-GOSISDBHSA-N 404.513 6.268 0 1 HKAF CCOc1cc(/C=C/c2nc3cc(C)c(Br)cc3[nH]2)ccc1OC(F)F 587130087 JVRCSFGBZUAVSL-FNORWQNLSA-N 423.257 5.804 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc(CCc5ccccc5F)[nH]c4c3)o2)cc1 587149815 LPKLQKCHHHBBGM-UHFFFAOYSA-N 414.440 5.213 0 1 HKAF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(-c3cncc(F)c3)[nH]c12 587177113 PWTLUVMCJRARHB-UHFFFAOYSA-N 418.325 5.174 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(Cl)nc5F)[nH]c4c3)o2)cc1 587177684 UDSGPCYIVXIKDU-UHFFFAOYSA-N 421.819 5.143 0 1 HKAF CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cn1 587247898 WZWTYODSVQMTIL-UHFFFAOYSA-N 400.482 5.189 0 1 HKAF C[C@@]1(c2cc3cc(Cl)ccc3o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333442 SLOPYOFDLHHMDS-VWNXMTODSA-N 422.839 6.205 0 1 HKAF C[C@]1(c2oc3ccccc3c2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335226 KTOLMCMVYOIUID-YKSBVNFPSA-N 403.409 5.134 0 1 HKAF Cc1sc2ccccc2c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587376628 XTZOYRGUVPUSDU-ILBGXUMGSA-N 418.489 6.329 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ccc(Cl)c(C(=O)O)c4)c1)[C@@H](C2)C3=O 587422051 OXOGVZQUIUSYHG-MBSDFSHPSA-N 420.848 5.203 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc3cccc(Br)c3o1)CC2=O 587457743 CDPQKKGNIKHVHU-NRFANRHFSA-N 415.283 5.734 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@]1(CCC(=O)O)c1ccccc1)CC2=O 587489996 PXTYNNPEODSUFO-FTJBHMTQSA-N 422.521 5.426 0 1 HKAF C[C@]1(c2cccc(-c3cccc(C(=O)O)c3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587528629 DBYBUTIXZAJOBR-HHHXNRCGSA-N 412.485 5.811 0 1 HKAF Cc1nc2sc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c(N)c2c(C)c1C 587538666 RAIIIVMATVMUSZ-XMMPIXPASA-N 406.551 5.563 0 1 HKAF C[C@@]1(c2cccc(OC(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552506 AGVGLTKNIRSAIJ-NQIIRXRSSA-N 416.351 5.168 0 1 HKAF COc1cc(C)c(Cl)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587691399 FMNIWQUEFDBMKO-WLRWDXFRSA-N 412.730 5.356 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc(Cl)ccc3n2C)N1 587699605 QYHWFNFLNFKDRF-OVWNDWIMSA-N 407.714 5.357 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc(C(F)(F)F)c2)N1 587713643 TZDXEWWLRZBLQZ-VPTHRUTESA-N 422.647 5.884 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(OC3CCC3)c2)N1 587722395 YQVJSEXTIXAPJC-GIPWTMENSA-N 408.286 5.282 0 1 HKAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC(C)C 587790728 HXTUYJFLDCPMSF-MPBGBICISA-N 408.311 5.008 0 1 HKAF CCC1CCC(C2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)CC1 587817072 HUNPXDDRSRKOLW-SCUMNGBJSA-N 422.426 6.724 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)COC(C)(C)O3)N1 587828868 ANUWSYDYBFIMBS-GTJPDFRWSA-N 420.322 5.031 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccn3)s2)N1 587849848 WOSFXFCVHLMSFS-WLRWDXFRSA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(Cl)ccc1Cl 587853686 AZWZIANSSBSZFL-UHFFFAOYSA-N 402.108 6.552 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc3ccc(Cl)cc23)N1 587859113 VRHOWTXTBAERSK-YYSFKGJASA-N 410.739 6.080 0 1 HKAF CC(C)(C)OC(=O)NCc1cccc(-c2nc(-c3ccc(F)c(F)c3)cs2)c1 587922760 ZWAJQNFWUAZUDQ-UHFFFAOYSA-N 402.466 5.780 0 1 HKAF CC[C@H](C)Oc1ccccc1[C@@H]1c2ccccc2C[C@@H]2CN(c3ccccc3)CCN12 962631426 DVSWRGGRJQUPRI-YBZFOXLFSA-N 412.577 5.700 0 1 HKAF CCC[C@@]1(c2ccc(Br)c(C)c2)NCCc2cc(-c3ccccc3)ccc21 962668669 XCHJSJOUGAZANW-VWLOTQADSA-N 420.394 6.614 0 1 HKAF Cc1ccc([C@@]2(CCc3cccc(C)c3C)NCCc3nc4ccccn4c32)c(C)c1 962984827 NXMKCEVMAUVQHY-MUUNZHRXSA-N 409.577 5.590 0 1 HKAF Cc1ccnc2c1CCN[C@]2(CC(C)(C)C(=O)O)c1ccc(Oc2ccccc2)cc1 963091383 VKBIEBMJDHPFRP-AREMUKBSSA-N 416.521 5.073 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1ccccc1OC)c1ccccc1SC 963241521 MVRKFOIPDYOMMV-CCLHPLFOSA-N 417.618 6.366 0 1 HKAF CC1(C)CC(C)(C)c2cc(NC(=S)NCc3ccc(Cl)cc3)ccc2S1 1857535047 LZRCSMKIURNVCI-UHFFFAOYSA-N 405.032 6.379 0 1 HKAF Nc1c(F)c(NCc2ccc(C(F)(F)F)cc2F)cc(F)c1NC(=O)OC1CC1 1857576532 LAAZKIYSFXBUIV-UHFFFAOYSA-N 419.325 5.028 0 1 HKAF CC(=CCC[C@H](C)C[C@@H]1OC(=O)C(C)=C1O)CCC=C(C)CCCc1ccoc1 2356623699 KMWTVCMTGSLJFU-REWPJTCUSA-N 400.559 6.839 0 1 HKAF CC(=O)Oc1ccc2c3c(oc2c1CC=C(C)C)-c1cc(CC=C(C)C)ccc1OC3 2356712176 SHMOLZHRHIMLBM-UHFFFAOYSA-N 416.517 6.935 0 1 HKAF COc1ccc(C(C)C)cc1-c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)[nH]n1 61897435 XQKCSSBPQPOMNV-UHFFFAOYSA-N 417.431 5.158 0 3 HKAF CCc1c(-c2ccc(Br)cc2)ncn1Cc1cccc(-c2ccccc2)c1 95565992 YDXSWHGSJZEGNP-UHFFFAOYSA-N 417.350 6.590 0 3 HKAF CC(=O)N(Cc1ccccc1)C1=C(c2ccccc2Cl)Nc2ccccc2NC1=O 205863209 FBRLTDGRMNTKCR-UHFFFAOYSA-N 417.896 5.122 0 3 HKAF Cc1ccc(C2=CCN(CCCC[C@@]34CCCc5cccc(c53)NC4=O)CC2)cc1 13473713 RECHTWDQRNLGLO-HHHXNRCGSA-N 400.566 5.481 0 1 HKAF CC(C)C1=CC2=CC=C3C(C)(C)[C@H](OC(=O)c4ccccc4)CC[C@@]3(C)[C@@H]2C(=O)C1=O 13480801 AMNIHONGCLKGSD-UMTXDNHDSA-N 418.533 5.255 0 1 HKAF biogenic c1ccc(CN2[C@H]3CC[C@@H]2CC(CCOC(c2ccccc2)c2ccccc2)C3)cc1 13487740 UOILZIPMBMUBNA-WFVNRGBPSA-N 411.589 6.626 0 1 HKAF OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CC2CCCCCCC2)CC1 13553186 VZJNFWLVAYGYRO-UHFFFAOYSA-N 403.916 6.003 0 1 HKAF COc1ccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 13741232 VGIXCIOZVKTAQT-MHZLTWQESA-N 421.540 5.927 0 1 HKAF CC[C@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 13795680 SRCSBMBYPRHSJZ-DEOSSOPVSA-N 423.560 5.845 0 1 HKAF CCCC[C@@H](CC)Nc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12 13804982 VZUIFDNKBFRDNH-OAHLLOKOSA-N 406.361 6.096 0 1 HKAF CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)OC)cc1 13833591 XYYYFJUWDFFJAL-UHFFFAOYSA-N 418.537 5.384 0 1 HKAF COc1cc2c(cc1CC=C(C)C)[C@@H]1COc3cc(O)c(CC=C(C)C)c(O)c3[C@H]1O2 14781048 YCYLVHIWXLJVIC-SIBVEZHUSA-N 422.521 5.734 0 1 HKAF endogenous,in-man Fc1cccc(OCCn2c(CC(F)(F)F)nc3cc(Cl)c(Cl)cc32)c1 28817757 XKFNETQFOJXAPC-UHFFFAOYSA-N 407.194 5.666 0 1 HKAF CC(C)(Cc1ccccc1)[C@@H]1OC[C@@H](C/C=C\CCC(=O)O)[C@H](c2cccnc2)O1 36242578 XYUJBPXTBCBGMX-JRWOJHNVSA-N 409.526 5.192 0 1 HKAF O=C(Nc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)cc1)Nc1ccsc1 45187125 ASKVSJONBMFQBL-UHFFFAOYSA-N 410.502 6.602 0 1 HKAF Cc1ccccc1C1CCN(c2ncc(C(=O)Nc3ccccc3)cc2Cl)CC1 45195231 OPYSGLNTZMZBNV-UHFFFAOYSA-N 405.929 5.680 0 1 HKAF CC[C@H](C)Nc1cc(-c2nc3cc(C)c(C)cc3nc2-c2ccc(F)cc2)ccn1 45245443 GAMWRQZPJNPVPI-KRWDZBQOSA-N 400.501 6.325 0 1 HKAF CC(C)NCc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 45302517 QPGLCZKHTZGCIV-UHFFFAOYSA-N 409.455 6.414 0 1 HKAF Cn1cncc1C(=O)Nc1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)s2)c1 45335250 KARCIAICWKFBKD-UHFFFAOYSA-N 417.469 5.083 0 1 HKAF CC(C)NC(=O)N(Cc1ccccc1)Cc1cccc(NC(=O)c2ccccc2)c1 66080390 FKSQLCRHSOYOBT-UHFFFAOYSA-N 401.510 5.059 0 1 HKAF CC(C)=CCN1C(=O)[C@]2(O[C@@H](C)CC3=CCC[C@H]32)c2c(Br)cccc21 66166773 WNIVGPRDFFPVKC-CMPZQBNXSA-N 402.332 5.102 0 1 HKAF COc1cc(-c2cscc2-c2ccc(OC(F)(F)F)cc2)cc(OC)c1OC 72109682 RSOPBCDKVRUZTF-UHFFFAOYSA-N 410.413 6.007 0 1 HKAF C[C@H]1CCCC[C@H]1Nc1ncc(-c2nc3ccccc3s2)c(-c2ccccc2)n1 82162548 WISIBYOHZWUDRW-QFBILLFUSA-N 400.551 6.411 0 1 HKAF CC[C@H](C)Cn1c(C2CCCCC2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187304 USUDLDZJKZYFIO-KRWDZBQOSA-N 409.553 5.714 0 1 HKAF C[C@]1(c2cc(Cl)cc(CC(=O)c3nc4ccccc4s3)c2)CCSC(N)=N1 96174275 HVKAFQKCRCYTSK-HXUWFJFHSA-N 415.971 5.042 0 1 HKAF COc1ccc(OC[C@@H]2c3ccc(C)cc3CCN2C(=O)c2cccc(Cl)c2)cc1 96271975 DKSFNVZJMQROOZ-XMMPIXPASA-N 421.924 5.476 0 1 HKAF CC(=O)Nc1ccc([C@@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)cc1 100629721 YEEATWOVMYJDQO-DEOSSOPVSA-N 403.526 6.133 0 1 HKAF CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1ccc(Cl)cc1 103229099 ZYTMOZSABCTECV-UHFFFAOYSA-N 418.213 5.806 0 1 HKAF C[C@H]1[C@H](O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(c5cncc(C(F)F)c5)=CC[C@H]4[C@@H]3CC[C@H]12 141072380 RBGBTXNNGSQRNJ-BYNDIMQWSA-N 415.568 6.662 0 1 HKAF CC(=O)N1c2ccc(-c3ccc(C(=O)O)cc3)cc2[C@H](Nc2ccccc2)C[C@@H]1C 147250275 RZLGXMUFJRNCFA-QMHKHESXSA-N 400.478 5.350 0 1 HKAF COc1cccc(-c2cc(N[C@H](C)c3cccc(-c4cnn(C)c4)c3)nc(C)n2)c1F 205841632 XOWRITXNQVIJBR-OAHLLOKOSA-N 417.488 5.173 0 1 HKAF O=c1[nH]ccc2[nH]c(-c3cccc4ccc(Nc5c(F)cccc5Cl)nc34)cc12 222333232 XUGBYZKANWTVIN-UHFFFAOYSA-N 404.832 5.608 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](CO)CC[C@]4(C)[C@H]3CC[C@@]21C 255262554 RKYSZGJUFBBPTD-KKRIXVOMSA-N 400.691 7.348 0 1 HKAF C[C@@H]1CCC([C@H](C)[C@H]2CC[C@@H]3[C@@H]4CC(=O)[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)=NC1 299812583 QAGPPGDCPAPQLW-LRYVTLDSSA-N 413.646 5.692 0 1 HKAF Cc1c(-c2c(Cl)cccc2Cl)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586993319 KBZXFBVBURELOA-UHFFFAOYSA-N 404.296 7.037 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3cnc4ccccc4c3[nH]2)C[C@@H]2CCCC[C@H]21 587027202 QNDCYPVCUYNZQL-DQLDELGASA-N 416.550 5.248 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587034517 NYWCQLHOICHGOL-ZDUSSCGKSA-N 418.444 5.463 0 1 HKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4ccc(Br)cc4[nH]3)c2)cc1 587068055 XEZNPGIIJGKDBN-UHFFFAOYSA-N 413.702 5.805 0 1 HKAF CC(C)Oc1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587069751 NZXUCJGWHQZQOV-PGMHBOJBSA-N 416.952 7.177 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Cl)cc(F)c2[nH]1 587070543 HPUVFOWEVOSHIB-UHEBOXKZSA-N 409.719 7.028 0 1 HKAF Cc1cc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Cl 587072291 QLMJVRNGEIEQJV-YFCYTBDESA-N 405.756 7.198 0 1 HKAF Fc1c(Br)ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc12 587076108 IYGGNRXZROJYLJ-UHFFFAOYSA-N 402.654 5.847 0 1 HKAF Cc1ccc(-c2cc(-c3nc4cccc(C(=O)O)c4[nH]3)c3cccc(Cl)c3n2)o1 587083503 XFCZEZYUGMTHAT-UHFFFAOYSA-N 403.825 5.698 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1c(Cl)sc(Cl)c1CC4)-c1ccccc1C2=O 587101313 FFYYAHAAXXIWJS-UHFFFAOYSA-N 422.336 6.889 0 1 HKAF Cc1cccc([C@@H]2CC(=O)Cc3nc4c(C)ccc5c4c(c32)-c2ccccc2C5=O)c1 587101836 WLNFSMFQZKCJOX-QFIPXVFZSA-N 403.481 5.710 0 1 HKAF CC(C)Oc1cccc(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)c1 587106305 KZPUQQLBALVURX-UHFFFAOYSA-N 423.468 5.528 0 1 HKAF O=C(O)c1ccc(-c2cc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)ccc2F)cc1F 587138217 CHYMSMKCNLPDRG-UHFFFAOYSA-N 418.321 5.892 0 1 HKAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(OC(C)C)cc4[nH]3)cc2F)c1 587144128 QRKWPMQZECKOED-UHFFFAOYSA-N 420.440 5.530 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1F 587152182 XFNLHBJTERZFRV-LJQANCHMSA-N 406.766 5.941 0 1 HKAF Cc1cc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2cc1Cl 587154844 SMRLRIUUKQPXMF-UHFFFAOYSA-N 409.848 5.348 0 1 HKAF C[C@@H](c1nc2ccc(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199710 KYCQINUWALWCDH-HNNXBMFYSA-N 415.468 5.644 0 1 HKAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(Br)c(F)cc2[nH]1 587201139 HHSJUUSYTZKCAQ-UHFFFAOYSA-N 414.319 5.045 0 1 HKAF CCCC[C@H](O)[C@@]1(CCCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351167 IEZJZEITXBXNDJ-WPFOTENUSA-N 400.490 5.370 0 1 HKAF COc1cccc(-c2cc(-c3cccc4nc(C)oc34)nc3c2oc2ccccc23)c1 587361941 BAXRZAVXZYANLF-UHFFFAOYSA-N 406.441 6.773 0 1 HKAF CC[C@@H]1S[C@H](C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H]1C 587373055 KTOXKUAWHPCPAY-RVIGDEBXSA-N 400.515 5.569 0 1 HKAF C[C@@]1(Cc2nc3ccccc3s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587374096 OBSISMGGBCCFEE-VWNXMTODSA-N 419.477 5.501 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2ccc3ccccc3c21 587481452 MEPDRJPTTBGUPB-NDEPHWFRSA-N 406.481 6.387 0 1 HKAF CCCCCCOc1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OC 587486776 ZZMDRYZGFCUYHO-HSZRJFAPSA-N 412.526 6.019 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCC2)cc1Cl 587541886 GOKWMOSQMKQMMF-ZJSXRUAMSA-N 421.880 5.349 0 1 HKAF CC(C)(C)c1ccc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587545797 PNDYONOGTGTRGW-OFNKIYASSA-N 408.881 6.046 0 1 HKAF C[C@]1(c2cc3cc(Cl)ccc3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552411 RGOYCKYRDHHCGA-NZQKXSOJSA-N 406.821 5.669 0 1 HKAF Cc1cccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 587600321 ANDDXLBLDCFMKR-SQHAQQRYSA-N 408.453 6.071 0 1 HKAF O=C(c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C1CCCC1 587603500 PMNKPXBIZAQQGP-NVQXNPDNSA-N 414.457 5.468 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(Cl)cccc2s1 587618350 NYLRROWETORQHE-SIKLNZKXSA-N 408.862 5.963 0 1 HKAF C[C@@H]1CSc2ccc(Cl)cc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587620593 ZVAOLAKGTJSMFI-QPTLAOIZSA-N 424.905 5.645 0 1 HKAF COc1cc(C)c(Cl)c(C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587698752 ZXETUOCOWHPKPH-GIGQVBGESA-N 412.730 5.491 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCOc3ccc(Cl)cc32)N1 587701581 VBBRGUZRJALQJC-NSPYISDASA-N 410.714 5.192 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3nc(Cl)ccc32)N1 587706053 OMAKLESXLQNAET-PRWKNARSSA-N 423.757 5.387 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccccc2C(F)(F)F)N1 587714094 UPKCFVKQBDWVBC-ZMZPIMSZSA-N 416.256 5.599 0 1 HKAF Cc1cc(OC(F)(F)F)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587723050 UYVJDZMPODYULZ-DYZYQPBXSA-N 418.228 5.419 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2cccnc2)N1 587778966 PNLGANAZVHAIGP-LRTDBIEQSA-N 413.290 5.399 0 1 HKAF CCCCOc1cc2nc(COC/C=C/c3ccccc3)[nH]c2cc1Br 587781137 QKPHBUQSGLKYNF-JXMROGBWSA-N 415.331 5.734 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)O[C@H](C)c2ccccc2)N1 587788905 ATYZFFKKKJHVCJ-LKBUQDJMSA-N 420.322 5.032 0 1 HKAF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(C)C 587798261 ZBUQZDBXXDFICP-MPBGBICISA-N 408.311 5.008 0 1 HKAF Cc1cc(C)c(C(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587809845 BKLLXVJIXONVDJ-QRQCRPRQSA-N 418.350 5.536 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3cccc(C(=O)O)c23)N1 587827729 QESLEMUYELLNSK-PRWKNARSSA-N 414.274 5.063 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCC(=O)O)(c2ccccc2)N1 587827985 NCBFWTCQPFZBCB-SPLOXXLWSA-N 420.322 5.011 0 1 HKAF Cc1c(Br)csc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587844540 OEHOIHWFYKQYNB-NXSYQRQQSA-N 419.157 5.344 0 1 HKAF Cc1oc(-c2cccs2)nc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587855472 VXZHLMJENLZJTB-VVVCHXIZSA-N 407.308 5.237 0 1 HKAF COc1ccc(-c2ccc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c(O)c2)cc1OC 587927567 RILWKDLDNLJRIV-UHFFFAOYSA-N 416.811 5.551 0 1 HKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 587950484 LXNKZZJDZFELQP-DEYYWGMASA-N 409.368 6.159 0 1 HKAF Cc1ccc(C(=O)C[C@@H](c2ccccc2Cl)[C@@H]2C(=O)Oc3ccccc3C2=O)cc1 957591874 LTQMVETWLGHXGZ-CVDCTZTESA-N 418.876 5.423 0 1 HKAF CCCCc1nnc(-c2ccc([C@@H]3c4cc(OC)c(OC)cc4C[C@H](C)N3C)cc2)o1 962566699 IPKBHXKCQLAPCZ-UPCLLVRISA-N 421.541 5.062 0 1 HKAF COCOc1cccc([C@@]2(c3ccc(Cl)cc3)NCCc3cc(Cl)ccc32)c1 963382028 ZEZMQKMNFAFRQX-HSZRJFAPSA-N 414.332 5.414 0 1 HKAF Cc1cc(-c2nc(-c3ccc(C)c(OCC4CC4)c3)n3c2CCO[C@H](C)C3)cc(C)n1 1772656088 YJDKUBSILCELNV-LJQANCHMSA-N 417.553 5.287 0 1 HKAF Cc1cc(C(=O)Nc2ccc(C(=O)O)cc2)n(Cc2csc(C3=CCCCC3)n2)c1 1857594758 BWGITCUAHZUSET-UHFFFAOYSA-N 421.522 5.209 0 1 HKAF Cc1nc2cc(C(F)(F)F)ccc2n1CCNc1nc(-c2ccc(F)cc2)cs1 15934853 RBVZANJHDWLLSK-UHFFFAOYSA-N 420.435 5.738 0 3 HKAF Cc1ccc2nc(-c3cccc(Cl)c3)c(Cc3ccccc3C(F)(F)F)n2c1 199371973 OGAWTJYBHAKIIP-UHFFFAOYSA-N 400.831 6.573 0 3 HKAF COc1ccc2c(c1)nc(-c1ccc(C(F)(F)F)cc1)c1c(-c3ccccc3)ncn12 205863548 RYODDMFGSLUAIZ-UHFFFAOYSA-N 419.406 6.244 0 3 HKAF CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 4207458 RETFWNYIZMOUJZ-FYYLOGMGSA-N 406.913 5.501 0 1 HKAF COc1ccc(C2=NN[C@@H](c3cc4cc(Br)ccc4nc3Cl)C2)cc1 6040737 AQBPHVFYERZJRX-GOSISDBHSA-N 416.706 5.098 0 1 HKAF CO[C@H](C1CCCCC1)[C@H](C)[C@H](OCc1cccc(Br)c1)[C@@H](C)CO 7992072 DMJFQFIGRLPWIE-HDIOYNLWSA-N 413.396 5.194 0 1 HKAF CCCN1C(=O)c2cc(C(=O)Nc3cccc(F)c3)ccc2[C@@H]1Nc1cccc(F)c1 9609088 FJZBLLLMXYFJAC-JOCHJYFZSA-N 421.447 5.194 0 1 HKAF O[C@](Cc1c(Cl)cccc1Cl)(Cn1ccnc1)c1ccc(Cl)cc1Cl 13520642 VOMUQNXFGYULRB-GOSISDBHSA-N 416.135 5.627 0 1 HKAF Cc1cc(-c2c(F)cc3c(=O)c(-c4ccccc4)cn(C4CC4)c3c2F)cc(C)n1 25975686 TXQHQIGXICTATK-UHFFFAOYSA-N 402.444 5.960 0 1 HKAF COc1c(C(=O)c2ccc3cc(C(=O)O)ccc3c2)ccc2c1C(C)(C)CCC2(C)C 26727665 LDPRHACGRZKJIM-UHFFFAOYSA-N 416.517 6.127 0 1 HKAF C[C@]12C=CC(=O)N[C@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)n3ccc4ccccc43)CC[C@@H]12 26970173 ZKJLGJLBCWOCRC-YKENDGCGSA-N 416.565 5.195 0 1 HKAF Fc1ccc([C@@H]2C[C@@H](N3CCN(CCc4ccccc4)CC3)c3cc(F)ccc32)cc1 28017333 YXRUWBIIYKNYPG-AHKZPQOWSA-N 418.531 5.402 0 1 HKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H]1CCCCO1 28710846 ZQIZHDKTSINYDM-VDNIJTNNSA-N 402.619 7.244 0 1 HKAF Clc1ccc(C[C@@H]2CO[C@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 28767802 GBJGAPFLPDIIAV-XLIONFOSSA-N 423.727 5.354 0 1 HKAF NCCCCCN(CCCc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 28825897 CFZBOPYQAMXMKM-UHFFFAOYSA-N 405.586 5.081 0 1 HKAF Cc1c(C(C)(C)C)s/c(=N\C(=O)c2cccc(Br)c2)n1CC1CC1 28954324 NGBMQCUWIZPJCG-UZYVYHOESA-N 407.377 5.069 0 1 HKAF COc1c(-c2nnc(-c3ccccc3C(F)(F)F)n2C)ccc2ccc(Cl)cc12 29042978 QBIPYYXGZDQCLC-UHFFFAOYSA-N 417.818 5.983 0 1 HKAF CCCCCC(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O 29057360 KVASAAINBJZLRT-UHFFFAOYSA-N 406.434 5.023 0 1 HKAF O[C@@H]1CCc2ccc(Cl)c(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2C1 29127333 IQMMVCZTEATURZ-OAHLLOKOSA-N 419.834 5.409 0 1 HKAF CC(C)(C)c1ccc(-c2cc(C(=O)O)cc(-c3ccc(Cl)c(Cl)c3)n2)cc1 29467105 VOKCLLQQKZYIAC-UHFFFAOYSA-N 400.305 6.718 0 1 HKAF aggregator Clc1ccc(C[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 33493883 DBWFHJYOQLFDPC-CYBMUJFWSA-N 400.136 6.523 0 1 HKAF C/C=C(/CC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3)C(C)C 33950904 MZYZVYBSCOUPPO-UIQJENHCSA-N 410.686 8.009 0 1 HKAF Cc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc3nc4ccccc4nc3s2)cc1 40421629 HPHXEEMKOMVOMF-QFIPXVFZSA-N 421.529 5.904 0 1 HKAF CCC[C@@]1(c2ccc(F)cc2)c2c(ccc(F)c2F)NC(=O)N1CC(F)(F)F 58576013 IQVUPZJBPVTVJH-GOSISDBHSA-N 402.338 5.557 0 1 HKAF C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CN2 64669899 KWVISVAMQJWJSZ-WQTXETNISA-N 413.646 5.287 0 1 HKAF CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(C(C)C)cc4)nc3c2)ccn1 71340326 UOVSBWXWZCZFCZ-UHFFFAOYSA-N 402.454 5.242 0 1 HKAF CCOC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2Cc1ccc(F)cc1 73389260 XTJLFVNDPXBKGK-CBPXPLCBSA-N 401.909 5.179 0 1 HKAF Oc1cccc(/C=C/C[C@H]2C[C@@H]([C@@H](O)c3ccccc3)CO[C@@H]2c2ccccc2)c1 96921344 OFYDOERQRGDIDS-FSVKHWOVSA-N 400.518 5.923 0 1 HKAF O=c1c2c([nH]n1-c1ccccc1)C=C(c1ccc(F)cc1)C[C@@H]2c1ccc(Cl)cc1 96929717 MJMDJMLLAQZDJB-JOCHJYFZSA-N 416.883 6.034 0 1 HKAF CCCCCc1c(C(=O)NCCc2ccc(N(C)C)cc2)[nH]c2ccc(Cl)cc12 96933917 BMANHOMACRVNKK-UHFFFAOYSA-N 411.977 5.593 0 1 HKAF c1ccc(CN[C@H]2CC[C@H](c3ccc(OCCCN4CCCCC4)cc3)CC2)cc1 101437315 MYSZKGRXICYNIZ-OGLKEZPNSA-N 406.614 5.757 0 1 HKAF CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2ccsc2)C2=C(O)CC(C)(C)CC2=N1 103540170 MFOGKZSNALSOSH-FQEVSTJZSA-N 407.539 5.535 0 1 HKAF CC[C@@H](C)NC(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F 105179191 ZCUHJOCIFKATHC-XMAZWFNRSA-N 424.564 5.294 0 1 HKAF CCC[C@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc2c(c1)OCO2)CCCC3 113123717 GBHSAHKMCAYTJQ-INIZCTEOSA-N 423.534 5.848 0 1 HKAF COc1ccc(S(=O)(=O)c2cnc3cc(F)ccc3c2-c2ccc(F)cc2)cc1 145348185 BGSWMLPELIKWHD-UHFFFAOYSA-N 411.429 5.021 0 1 HKAF CC(=O)c1ccc(-c2cccc(-c3nc4cc(Br)c(F)cc4[nH]3)c2)cc1 586881546 XVNSADZGNRHMCV-UHFFFAOYSA-N 409.258 6.001 0 1 HKAF Oc1ccc(-c2cccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2)cc1 586897946 AUJHRHPJGMYMOD-UHFFFAOYSA-N 400.663 5.413 0 1 HKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(CCO)cc2[nH]1 586981423 CCBQZOMRHNALFX-QGZVFWFLSA-N 401.348 5.233 0 1 HKAF Cc1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2cc1Br 587016157 QFVWMXVGHGHKEZ-UHFFFAOYSA-N 404.720 6.078 0 1 HKAF Clc1ccccc1OCc1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1 587063849 ZOBKPYFTGSZLRR-UHFFFAOYSA-N 404.684 6.164 0 1 HKAF CC(C)COc1cc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2cc1Br 587088562 OROMADHUMZSXGL-LLVKDONJSA-N 414.294 5.110 0 1 HKAF C[C@@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1ccccc1C(F)(F)F 587103608 LOXPYOQIJJYVKZ-CQSZACIVSA-N 403.403 6.617 0 1 HKAF FC(F)(F)c1cc(Cc2nc3cc(Br)ncc3[nH]2)cc(C(F)(F)F)c1 587110426 WDDAMACWNBFGBD-UHFFFAOYSA-N 424.142 5.349 0 1 HKAF Fc1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1Br 587126273 WSWUDSWDAHUYRC-FPYGCLRLSA-N 417.225 6.247 0 1 HKAF CC(C)CCOc1cc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c2cc1Br 587148933 BUKPELLKVWQGKI-SFHVURJKSA-N 424.289 5.077 0 1 HKAF CCCc1nc(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)nn1-c1ccccc1F 587155926 IVUIRIZDXVRQRF-UHFFFAOYSA-N 421.423 5.514 0 1 HKAF COC(=O)c1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c(F)c1Nc1ccccc1 587161432 NXWYHRDPLYVDAS-IAGOWNOFSA-N 419.431 5.642 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]43C)[C@H]1c1c(nc3cccc4c3c1CC4)C2 587216219 WNHTUDQKPPSHCI-IUKMUEABSA-N 401.594 5.967 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4c5c(nc6cccc7c6c5CC7)CC[C@]34C)[C@@H]1CC[C@@H]2O 587216226 WQEDMJGDBLADLV-VEHRGVEQSA-N 401.594 5.967 0 1 HKAF CC[C@@]1(c2ccc(OC)cc2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350199 JZWABEKCLMXRHX-ZCYQVOJMSA-N 422.452 5.213 0 1 HKAF O=C1c2ccc(O)cc2O[C@](CC2CCCC2)(c2ccccc2)[C@H]1c1ccc(F)cc1 587350979 FTLKIKNULRLYHK-AHKZPQOWSA-N 416.492 6.366 0 1 HKAF COc1cccc(-c2cc(-c3cc(Cl)c(O)nc3C)nc3c2oc2ccccc23)c1 587357786 MABICGBRNWXTEJ-UHFFFAOYSA-N 416.864 6.386 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1Br)(c1ccccc1)O2 587377608 NWJGEEBOTDKRPB-HSZRJFAPSA-N 422.322 5.443 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C)c(F)c1)(c1c(N)sc3c1CCC3)O2 587384885 KMKCHQOXZOTJRU-XMMPIXPASA-N 422.525 5.066 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(c3ccccc3)c3ccccc3)cc1)O2 587385602 DIHOEKCGCMXCGU-MHZLTWQESA-N 420.512 6.754 0 1 HKAF COc1cc2c3c(c1)O[C@@]1(CCCC[C@@H]1c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587422735 QKZCQWSQFBYFRM-KGVIQGDOSA-N 402.412 5.558 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1Cl)(c1ccccc1)CC2=O 587462568 PADGWOVNIHKKIZ-VWLOTQADSA-N 406.909 6.102 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CC)(C1CCN(C(=O)OC(C)(C)C)CC1)CC2=O 587476565 VOOGCBCEKRFSPN-DEOSSOPVSA-N 417.546 5.106 0 1 HKAF COc1ccc([C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587502474 RLWXBVDXGBTZEZ-AREMUKBSSA-N 418.920 6.136 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(C(F)(F)F)c1F 587542584 AHFQCUKMYSLSLI-JXFKEZNVSA-N 404.315 5.253 0 1 HKAF CCCN1CCCc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587597018 UAXRSXOSUSIKEC-BVAGGSTKSA-N 415.489 5.258 0 1 HKAF Cc1ccc(C)c(Sc2c(Cc3ccccc3F)[nH]c3ccc(F)c(Cl)c23)c1 587629237 GKBZOYUUYBJFOB-UHFFFAOYSA-N 413.920 7.458 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OC(F)F)N1 587716752 JYHCLUUZFIEKMG-VPTHRUTESA-N 420.656 5.467 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)(F)F)c(F)c2)N1 587723232 WABYFOMRUBHWJD-BCTVWOGZSA-N 422.191 5.250 0 1 HKAF Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1C 587758408 XLPMHXZSVHBAFS-LAJNKCICSA-N 401.323 5.186 0 1 HKAF CC[C@H](C)Oc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587791123 ILOMQSIXFQNLQN-BYVOGVQKSA-N 422.338 5.398 0 1 HKAF CC(C)=C1NCCc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc21 587799553 XUJGPNYYMMMYJX-MCMMXHMISA-N 415.350 5.108 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2C(=O)c2ccccc2)N1 587824820 YWWCZOHHUIJGAU-UZSYQUHHSA-N 416.334 5.391 0 1 HKAF Cc1ccc([C@@]2(c3ccco3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587825534 AMSZCPKOVBLEEN-OYHNWAKOSA-N 414.318 5.624 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cccs2)(c2cccs2)N1 587852480 LLBSKWPUVNDYSQ-BLVKFPJESA-N 422.388 5.732 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccccc1CC 587864587 MHOJDLLASQHVCP-UHFFFAOYSA-N 418.415 5.249 0 1 HKAF O=C(Nc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1)C1CCCCC1 587873589 IIPLBMBMKBXSGT-UHFFFAOYSA-N 405.429 5.002 0 1 HKAF CSc1ccc(-c2csc(-c3ccc(-c4nc5cc(C)ccc5[nH]4)cc3)n2)cc1 587926395 YCFBUQQXDUGMOX-UHFFFAOYSA-N 413.571 7.051 0 1 HKAF COc1ccc(CCCc2nc3ccc(OCc4ccccc4)cc3[nH]2)c(OC)c1 587928784 LOJSQHMWBBOVQP-UHFFFAOYSA-N 402.494 5.334 0 1 HKAF CCCC1=N[C@H]2C(C)=CC(C)=NN2[C@@H]1Cc1ccc(-c2ccccc2C(=O)O)cc1 653887578 RSSZOEFGMIZGSL-DNQXCXABSA-N 401.510 5.182 0 1 HKAF c1ccc(N2CCN3[C@H](c4cnc(C5CCCC5)s4)c4ccccc4C[C@@H]3C2)cc1 962630581 KDKKQXIWCYQABN-RDGATRHJSA-N 415.606 5.637 0 1 HKAF O=C(O)CC[C@]1(c2ccc(Cl)cc2)c2ccsc2CCN1Cc1ccco1 962711576 MEZQEYMWVCGGPD-NRFANRHFSA-N 401.915 5.161 0 1 HKAF O=C(NC1CCCC1)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772600678 SMQRYYXREOZMLI-FYWRMAATSA-N 423.520 5.544 0 1 HKAF O=S(=O)(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccccc1C(F)(F)F 1857569947 PPPSSNCDQJCEMH-UHFFFAOYSA-N 418.396 5.314 0 1 HKAF Cc1onc(-c2c(Cl)cccc2C(F)(F)F)c1C(=O)Nc1ccc(C(=O)O)cc1 1857579416 YEPQOFBDMBVDLQ-UHFFFAOYSA-N 424.762 5.273 0 1 HKAF O=C(O)c1ccccc1-c1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccccc2)o1 1857592454 LIGLNPKQRQETFE-UHFFFAOYSA-N 410.256 6.681 0 1 HKAF CCCC[C@H](C)[C@@H]1CCC[C@H](OC)CC[C@@H](C)C=C(C)C(=O)N2CCC[C@H]2C(=O)O1 2356325478 XWYPACJKLTZIII-RNTGTLJKSA-N 421.622 5.277 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CCC2=C3CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356375754 GLMODYUVPPNCQV-GCMQNGBGSA-N 412.702 7.801 0 1 HKAF CC(C)=CCc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)c(O)c(CC=C(C)C)c1O 2356380316 AMSGEIUDAOVLCX-OAQYLSRUSA-N 424.493 5.233 0 1 HKAF CC=C(C)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CC[C@@H](C)CC(=O)O)C(C)=CC[C@H]12 2356479680 ZIOOTRWFFVRLEB-WVJYQVJNSA-N 404.591 6.166 0 1 HKAF CC(C)=CCCC[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3 2356519163 QFPQAPVPUNXXDR-PRXSUZICSA-N 412.702 8.233 0 1 HKAF CC[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@]4(C)C5=C([C@@H](O)C[C@H]4[C@@]3(C)CC[C@H]12)[C@@H](C)OC5=O 2356803370 XANPHTDZKAXPCO-VFQXTVEASA-N 414.630 6.048 0 1 HKAF Cc1ccc(Cc2c(-c3ccccc3)nc3cc(C)c(Br)c(C)n23)cc1 72104367 JRQBSHGZVLUHDL-UHFFFAOYSA-N 405.339 6.280 0 3 HKAF O=C(NCCc1ccc(F)cc1)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 773336 VNNSWMSSEXVVLR-UHFFFAOYSA-N 404.416 5.259 0 1 HKAF CO[P@@](=O)(c1ccccc1)N1CCCC(c2ccc(Cl)c(C(F)(F)F)c2)=N1 13557136 SQEKRTJZLQQPOM-MHZLTWQESA-N 416.767 5.324 0 1 HKAF COc1ccc(/C=C/[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)cc1 13558854 CMHYUFRDMXRNOT-MMTIDCKJSA-N 404.550 5.701 0 1 HKAF C=C(C)[C@H]1Cc2c(c(C(=O)[C@H](C)CC)c(O)c3c(-c4ccccc4)cc(=O)oc23)O1 14585984 KGQQWXVECQTEJR-RDTXWAMCSA-N 404.462 5.274 0 1 HKAF biogenic CC(C)N(CC[C@@]1(c2ccc(-c3ccccc3)cc2)C[C@@H]2CCCCN2C1=O)C(C)C 26265409 WYIANLZLPPZWJB-XCZPVHLTSA-N 418.625 5.885 0 1 HKAF CCc1ccccc1O[C@H](CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(C)C 28135424 RFYTZXRMMNQKBP-XMMPIXPASA-N 421.585 5.023 0 1 HKAF CC(C)C[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 28823207 JMFPNAQZNGBMQY-CQSZACIVSA-N 416.370 5.116 0 1 HKAF Nc1ccc(/C=C/c2ccc(-c3nc4ccc(OCCCF)cc4s3)cc2)cc1 29129086 IXYQRROSJHWVPL-NSCUHMNNSA-N 404.510 6.454 0 1 HKAF C[C@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@@](C)(O)c2ccccc2)c1 29407466 PNDZVDCEOHUNSU-ZPJFYFFZSA-N 419.653 6.871 0 1 HKAF c1ccc(-c2ccc(Cn3cncc3CNc3cccc(-c4ccccc4)c3)cc2)cc1 34390546 QJBXQSHQZBLGDT-UHFFFAOYSA-N 415.540 6.878 0 1 HKAF CC(C)N1CCOc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O 40937175 ICKXKXNHQRHUMS-UHFFFAOYSA-N 416.308 5.089 0 1 HKAF Cc1csc(NS(=O)(=O)c2cccc(Cl)c2)c1-c1nc2ccccc2s1 43120106 QBASQTILKRUKTN-UHFFFAOYSA-N 420.968 5.787 0 1 HKAF N=C(N)c1cc2cc(-c3cccc(OCc4ccc(F)c(Cl)c4)c3)ccc2s1 45358827 APTYSCMWEHRULQ-UHFFFAOYSA-N 410.901 6.224 0 1 HKAF O=C(CCCCOc1ccc(-c2cc(=S)ss2)cc1)Nc1ccccc1 49799625 BZZPUIZWXRTGKA-UHFFFAOYSA-N 401.578 6.394 0 1 HKAF COc1cc(Nc2nc(C)cc(Nc3ccc(Cl)cc3)n2)ccc1-n1cnc(C)c1 68150580 FBGXPRFZIOHURH-UHFFFAOYSA-N 420.904 5.428 0 1 HKAF CSc1nc(NCc2ccc(F)cc2)c2cnn(C[C@H](C)c3ccccc3)c2n1 72123113 LKSDTUSIVJELJD-HNNXBMFYSA-N 407.518 5.103 0 1 HKAF COc1ccc(CON(Cc2ccc(OC(F)(F)F)cc2)c2ccccn2)cc1 73196107 HITOPCRCPBKBCF-UHFFFAOYSA-N 404.388 5.127 0 1 HKAF O=C(O[C@H](Cn1ccnc1)c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 82153991 LHNOSDQVFGLDJT-HSZRJFAPSA-N 402.881 5.802 0 1 HKAF CCc1cnc(-c2cnc(NCCOc3ccccc3)nc2-c2ccc(F)cc2)s1 82164411 XGFZARAXMWXGTR-UHFFFAOYSA-N 420.513 5.460 0 1 HKAF COc1ccc(CCNc2ncc(-c3ncc(C)o3)c(-c3cccc(C)c3)n2)cc1 82173955 ZFAUDBANVUAIFS-UHFFFAOYSA-N 400.482 5.079 0 1 HKAF CCCC[C@H](Nc1nc(-c2ccc(O)cc2)cs1)C(=O)NC[C@H](CC)CCCC 82194699 MOKOYYIPNJFULJ-XLIONFOSSA-N 417.619 5.819 0 1 HKAF Cc1ccsc1C(=CCCN(C)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1sccc1C 101661504 FEGGKQVAYBVKDT-ZULIPRJHSA-N 413.608 5.455 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3c(O)c4c(c(CC=C(C)C)c3O2)OC(C)(C)C=C4)cc1 144135700 FVIRUWAOHVUWTO-NRFANRHFSA-N 420.505 5.800 0 1 HKAF O=C(Nc1ccccc1Br)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 165427681 AOHSVDFTUFLNJB-KOMQPUFPSA-N 407.283 5.100 0 1 HKAF CCCCC1([C@H](O)/C=C/[C@@H]2CCC(=O)[C@@H]2CCCCSCC(=O)OCC)CCC1 169315233 OKBAXITUKPXETI-UVOGRCCOSA-N 424.647 5.326 0 1 HKAF CC(C)CC[C@H](O)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4CCCC[C@]4(C)[C@H]3CC[C@@]21C 169684332 XIRMANMWPYJKKT-MGNSQDQZSA-N 402.663 6.504 0 1 HKAF Cc1cccc(C(=O)Nc2cc(-c3ccc4[nH]ccc4c3)ccc2N2CCN(C)CC2)c1 263620629 JXGJIPHOKSHSAC-UHFFFAOYSA-N 424.548 5.147 0 1 HKAF in-vitro C[C@@H](C(=O)NCCc1c[nH]c2ccc(O)cc12)c1ccc(-c2ccccc2)c(F)c1 299823663 RWRSAYHAZBVTII-MRXNPFEDSA-N 402.469 5.142 0 1 HKAF CCCCCc1cc(O)cc(OCCCCCCCCCCCCNC2CC2)c1 299827866 IRCVQHMAPOVLBT-UHFFFAOYSA-N 403.651 7.157 0 1 HKAF C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)C4=CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 299850314 QCVKYDNFSXDPSW-XICSIYDSSA-N 414.630 5.714 0 1 HKAF Cc1ccc(Nc2ccc(C(=O)N3CCC(N4CCCCC4)CC3)cc2Cl)cc1 299859916 GDPTWGDVNPVHNF-UHFFFAOYSA-N 411.977 5.483 0 1 HKAF Cc1ccc(SCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(C)c1 586963980 SYZQELXHYDFPEX-UHFFFAOYSA-N 404.379 6.510 0 1 HKAF c1ccc(Cn2c(SCc3nc4ccc5c(c4[nH]3)CCCC5)nnc2C2CC2)cc1 586966005 BFHNHUKIYAYIHA-UHFFFAOYSA-N 415.566 5.251 0 1 HKAF CCOc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1OCC 586990841 GHYUPXWMSCEXAD-UHFFFAOYSA-N 411.457 5.616 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(CN4CCCC4)cs3)nc3ccc(O)c1c23 586992930 BHDIAFBGTVNTFU-UHFFFAOYSA-N 412.514 5.476 0 1 HKAF Cc1ccc2c3c(c(CC(=O)O)c(-c4ccc(Cl)cc4)nc13)-c1ccccc1C2=O 586993958 SCQOKDKZJDOJKY-UHFFFAOYSA-N 413.860 5.702 0 1 HKAF CC(C)Oc1cc2[nH]c(-c3ccc(Br)o3)nc2cc1Br 587007417 LADUQODWEBLCNB-UHFFFAOYSA-N 400.070 5.135 0 1 HKAF CCc1ccc(-c2nc(-c3nc4cc(Br)cc(F)c4[nH]3)cs2)cc1 587015772 KLBVFTRUUOOYQR-UHFFFAOYSA-N 402.292 5.817 0 1 HKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c21 587032169 ZORWZQJWRPOQNN-LLVKDONJSA-N 402.350 6.829 0 1 HKAF Cc1c(Cl)ccc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c12 587052354 PEVOWHKECSBJDU-UHFFFAOYSA-N 418.711 5.709 0 1 HKAF CNc1cc(Cl)ccc1-c1nc2c(Br)ccc(Br)c2[nH]1 587066356 AWCKYMSZESOHJV-UHFFFAOYSA-N 415.516 5.450 0 1 HKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c2)cc1 587067533 FRWLBOSCEOEXKL-UHFFFAOYSA-N 403.696 6.349 0 1 HKAF O=C1c2ccccc2-c2cc(/C=C\c3cccc(C(F)(F)F)c3)nc3cccc1c23 587103210 HYWCZTUHGDSHJS-QXMHVHEDSA-N 401.387 6.635 0 1 HKAF FC(F)(F)c1nn(CCc2nc3ccc4c(c3[nH]2)CCCC4)c(C2CC2)c1Cl 587116253 AQNUZJIKHNZYOF-UHFFFAOYSA-N 408.855 5.431 0 1 HKAF CCOc1cc(/C=C\c2nc3cc(C)cc(Br)c3[nH]2)ccc1OC(F)F 587131382 ZKRUSRIIROICTL-ALCCZGGFSA-N 423.257 5.804 0 1 HKAF CC(C)CCOc1cc2nc(-c3cc(F)cc(F)c3O)[nH]c2cc1Br 587134326 NLKJXDPXMLAODK-UHFFFAOYSA-N 411.246 5.401 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4ccnc(Br)c4[nH]3)c(Cl)c2)cc1F 587144740 CRXKMPNULUFQOZ-UHFFFAOYSA-N 416.681 6.155 0 1 HKAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(OCc3ccccc3)ccc2[nH]1 587148329 IAUFHVFBQVTQFO-UHFFFAOYSA-N 416.431 5.488 0 1 HKAF Fc1c(Br)cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c1F 587232638 XHLSBQSHJOAXBY-UHFFFAOYSA-N 418.241 5.153 0 1 HKAF COc1ccc2[nH]cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2c1 587349544 VEICCEKKYODATR-NOZRDPDXSA-N 417.436 5.296 0 1 HKAF CC(C)Cc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587351109 GAYGZDHWVZPGIJ-AZGAKELHSA-N 404.481 6.004 0 1 HKAF COc1ccc2c(c1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354435 UQRDRCQDEYSREN-NOZRDPDXSA-N 404.437 5.131 0 1 HKAF COc1cccc(-c2cc(-c3cc4ccccc4cn3)nc3c2oc2ccccc23)c1 587363645 RVKHSUJIDQSIJN-UHFFFAOYSA-N 402.453 6.872 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cc(Br)cc1Cl)O2 587376611 JTFYLBUPVWYBHH-CQSZACIVSA-N 401.087 5.353 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cc(C)ccc1O)(c1ccccc1Cl)CC2=O 587459821 DRJWEVWKWYEALV-VWLOTQADSA-N 422.908 5.921 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)OC(C)(C)C)cc1)CC2=O 587470050 LGRMQJDDTBTYBW-XMMPIXPASA-N 411.498 5.572 0 1 HKAF CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCCOC 587523857 PZMZOOFYQAVUAV-QHCPKHFHSA-N 410.510 5.086 0 1 HKAF CC1=C(c2ccccc2)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(O)cc2O1 587533449 TZNFBJLMOBAGRT-MUUNZHRXSA-N 424.496 5.955 0 1 HKAF C[C@@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545207 GXFIKIQVHBIEGD-NQIIRXRSSA-N 400.352 5.288 0 1 HKAF Cc1onc(-c2ccc(F)cc2)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573712 XACRWWKYSLNNIT-HYBUGGRVSA-N 417.392 5.198 0 1 HKAF CC[C@H](OC)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587596249 QCXVXQRAAAPWGR-JTJYXVOQSA-N 404.462 5.367 0 1 HKAF CCCCCCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587597729 RSCFKKYOIZFVNB-JYFHCDHNSA-N 418.489 6.054 0 1 HKAF CC(C)CCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587599701 YZOMMTBNPAOJFE-RCZVLFRGSA-N 404.462 5.520 0 1 HKAF CCOC(=O)c1ncn(-c2c(-c3ccc(Cl)cc3)[nH]c3cc(Cl)c(F)cc23)n1 587628551 NVTMBKKCTNZQSM-UHFFFAOYSA-N 419.243 5.038 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)cc2)N1 587676173 CRWLHYHJZVEGRR-QGHHPUGFSA-N 413.128 5.148 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccccc3Cl)no2)N1 587693607 DYRPJGHXLHBQIC-DGIBIBHMSA-N 421.697 5.520 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(C(F)(F)F)N1 587709166 IZNNJKGFOPRCFC-ABKXIKBNSA-N 406.192 5.067 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(C(F)(F)F)N1 587709240 JPQGQUMSJMYZPY-ABKXIKBNSA-N 406.192 5.067 0 1 HKAF Cc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC(F)F 587718240 NIOBBGDZKQPXOO-QFYYESIMSA-N 400.238 5.122 0 1 HKAF CC(C)=CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587801564 LSBFBQRYEOIFGC-SZNDQCEHSA-N 404.323 5.557 0 1 HKAF CCCCCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814624 VAHUKAGNVCMKIR-AOMKIAJQSA-N 404.367 6.336 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)-c2ccccc2C3)N1 587815679 OQLSEEOFJQSUFR-BSEYFRJRSA-N 422.341 5.957 0 1 HKAF CCc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 587828543 ODLSGVUWQHFXNK-XMHCIUCPSA-N 414.318 6.034 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)CCC(C)(C)O3)N1 587835078 UPUAWEIGKDYFJA-YUNKPMOVSA-N 404.323 5.315 0 1 HKAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587926572 JBNLIXCAWUFJRX-IBGZPJMESA-N 404.535 6.273 0 1 HKAF FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C\c3ccccc3Oc3ccccc3)nc1-2 587949428 GJTNFHWFKCKLQT-KHPPLWFESA-N 416.790 5.939 0 1 HKAF CC(C)Oc1cc(NC(=N)c2ccccn2)ccc1-c1ccc(-c2ccccc2)s1 653714950 AWHIDRGXJQRNCK-UHFFFAOYSA-N 413.546 6.702 0 1 HKAF CCCCC(C)(C)c1cnnn1[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 653737533 XAARKHSMWQBKAR-GOSISDBHSA-N 406.361 5.539 0 1 HKAF CC(C)Cc1ccc([C@@H](C)C(=O)NCCCC(=O)Nc2cccc(Cl)c2)cc1 653779468 REWPFAMTLYODGJ-QGZVFWFLSA-N 400.950 5.177 0 1 HKAF COc1ccc2c(c1)[C@H](c1nc(-c3cc(C)c(OC)c(C)c3)cs1)N[C@@H]1CC[C@@H]21 962997637 RGJXCYVQCVCAPX-CZTZKLFOSA-N 406.551 5.383 0 1 HKAF CCCC[C@@]1(CCCCCCC(=O)OCC)c2c(F)cccc2C[C@@H]2CCCN21 963096150 CRYJWCUPCKXOJH-SQJMNOBHSA-N 403.582 6.135 0 1 HKAF Clc1cc(Cl)c2c(c1)[C@](c1cccs1)(c1ccc(Cl)s1)NCC2 963110839 QJKRCFBJINVICY-KRWDZBQOSA-N 400.783 6.207 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CC12CC3CC(CC(C3)C1)C2)c1ccccc1 963236257 XWBQAJMAIBVLNC-FQTUEQDISA-N 413.649 7.193 0 1 HKAF COc1ccc2c(CN3CCC(F)(F)[C@@H](CCc4cccc(F)c4)C3)c[nH]c2c1 1772581348 ICIDWBNJZJKQGA-SFHVURJKSA-N 402.460 5.406 0 1 HKAF CCOC(=O)c1ccc2nc(N3CCc4c([nH]c5ccc(Cl)cc45)C3)sc2c1 1857547558 DVEHZYKHSBHGPO-UHFFFAOYSA-N 411.914 5.170 0 1 HKAF O=C(O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc2ccccc2c1 1857583223 IQPUKPFPTKKRBO-OAQYLSRUSA-N 411.288 5.941 0 1 HKAF COc1ccc(-c2nc3c(cc(N(C)c4ccc(OC)cc4)c4ccccc43)o2)cc1 1857753067 YETRLPIPHHCQAS-UHFFFAOYSA-N 410.473 6.433 0 1 HKAF CO[C@@H]1CC[C@]2(C)C(=CC=C3[C@@H]2CC[C@]2(C)[C@@H]3CC[C@@H]2[C@H](C)C=C[C@H](C)C(C)C)C1 2356313030 RAUIRVMOPWSUHY-XNVQBSNVSA-N 410.686 7.985 0 1 HKAF CC(=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@H](CO)CC[C@]4(C)[C@@H]3CC[C@]12C)[C@H](C)C(C)C 2356379118 IMPDGJJMUUPFGN-ZACROIHTSA-N 414.718 7.738 0 1 HKAF CCC[C@@H](C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356424973 AZGBFPDCIYGQGD-PYYRWUFESA-N 414.718 8.025 0 1 HKAF C[C@H](CO)CC[C@@H]1O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C 263590648 FYYDHQYCPMWNIL-GZZOUONDSA-N 416.646 5.348 0 3 HKAF CC(C)=CCC[C@@]1(C)C=Cc2c(CCC(=O)c3ccc(O)cc3O)ccc(O)c2O1 13340818 NZEMOONSVTXJCP-VWLOTQADSA-N 408.494 5.530 0 1 HKAF endogenous,in-man c1ccc(CC2C[C@@H]3CC[C@H](C2)N3CCOC(c2ccccc2)c2ccccc2)cc1 13817243 HPGMQJYYCFTPJC-WFVNRGBPSA-N 411.589 6.278 0 1 HKAF C=C(c1ccc(OC(=S)N(C)C)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C 27105505 STIDMDOBQZBQBO-UHFFFAOYSA-N 407.623 6.631 0 1 HKAF O=C(N[C@H]1CCN(c2cccc3oc(CCCCc4ccccc4)cc23)C1)C1CC1 28384812 CZEDTICJPZBTEN-NRFANRHFSA-N 402.538 5.103 0 1 HKAF C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)CCc1ccccc1 28392604 HEWIVYFAXYIWTQ-IEUSDUHPSA-N 416.540 5.751 0 1 HKAF C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCC[C@H]3C)cc2)cc1 28761261 MQLACMNFOCBPJF-FSSWDIPSSA-N 420.597 5.620 0 1 HKAF Oc1ccc2c(c1)OCc1c-2nc2ccc(O)cc2c1-c1ccc(C(F)(F)F)cc1 28949798 JAWNBJUVLYLZIH-UHFFFAOYSA-N 409.363 5.891 0 1 HKAF CCCN(C)c1ccc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1 36351778 BSJZAUQNVKQFNB-UHFFFAOYSA-N 415.459 5.671 0 1 HKAF N=C(N)c1ccc2cc(-c3cccc(OCCCCOc4ccccc4)c3)oc2c1 43070908 YUVVBOVHIURPRH-UHFFFAOYSA-N 400.478 5.622 0 1 HKAF C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)C1CCCCC1 43208663 VKMOUZMRRMPZAB-AYRHNUGRSA-N 408.561 6.224 0 1 HKAF COC(=O)c1ccc(Nc2nccc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1 45202890 DPDIYVZPHKAKAV-UHFFFAOYSA-N 412.449 5.543 0 1 HKAF Cc1ccc([C@@](C)(O)[C@H]2CCCC3=Cc4c(-c5ccc(F)cc5)ncn4C[C@@]32C)s1 45285452 ZDVQXHDMHSUXJJ-TUSQITKMSA-N 422.569 6.170 0 1 HKAF Nc1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1 45365689 OZSHYWPSAUPTKK-UHFFFAOYSA-N 422.435 5.036 0 1 HKAF Cc1ccccc1SC1=C(O)C[C@](CCc2ccccc2)(c2ccccc2)OC1=O 100364157 DWDURBDNEXUAJU-AREMUKBSSA-N 416.542 6.332 0 1 HKAF Cc1cccc2cc([C@H]3CC(c4sccc4Br)=NN3)c(Cl)nc12 103212137 DLIIESXZCFYHJU-CYBMUJFWSA-N 406.736 5.459 0 1 HKAF CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(Cl)c2)C2=C(O)CC(C)(C)CC2=N1 104071355 ZJJHIPLDLCAUTO-NRFANRHFSA-N 413.945 6.270 0 1 HKAF CCCC1([C@@H](O)c2cccc([C@H]3CCC(=O)[C@@H]3C/C=C\CCCC(=O)O)c2)CCC1 117757794 RZBTWORZBVBXMU-TUHXMILOSA-N 412.570 5.954 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@]5(CCC(=O)O5)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 141920445 HXUJPLQVDFWGRC-UYBVJANESA-N 405.582 6.193 0 1 HKAF COc1cc(-c2ccc3c(/C=C/c4ccc(OC)c(OC)c4)n[nH]c3c2)ccc1O 166826975 XTZUWEGTTUIMBG-RUDMXATFSA-N 402.450 5.132 0 1 HKAF O=C(Nc1ccccc1)N1CCN(Cc2cccc(Oc3cccc(Cl)c3)c2)CC1 200261353 PHRZFTJCJDQGII-UHFFFAOYSA-N 421.928 5.482 0 1 HKAF COc1ccc(-c2cc(C(N)=O)nc3cc([C@H](C)Cc4ccc(C)nc4)ccc23)cc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endogenous,in-man FC(F)(F)c1ccccc1-c1nc2ccc(Nc3ccnc4ccccc34)cc2[nH]1 299826239 UUEYLDZINFWAQV-UHFFFAOYSA-N 404.395 6.541 0 1 HKAF CC(C)C[C@@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 299869047 TVFCVNBUZRJAPZ-FXVJXKIMSA-N 412.577 5.864 0 1 HKAF Oc1ccc(-c2ccc(F)cc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1 473153462 BOMIAMLAETWXGM-UHFFFAOYSA-N 422.459 6.388 0 1 HKAF O=C(O)c1cc(Br)cc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c12 586898783 OISACGXLSXVFDT-UHFFFAOYSA-N 409.239 5.063 0 1 HKAF O=[S@@](Cc1nc2cc(C(F)(F)F)cnc2[nH]1)C(c1ccccc1)c1ccccc1 586958570 GPHGTRFKRCASPI-LJAQVGFWSA-N 415.440 5.015 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1[nH]c2ccc(Cl)cc2c1C3 586986732 SGCKIDBUBKXDMK-UHFFFAOYSA-N 408.844 5.858 0 1 HKAF CC(C)(C)OC(=O)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586989204 BEWFFVSMXDVYNL-UHFFFAOYSA-N 423.468 5.774 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@H]4c1ccc(Cl)cc1)-c1ccccc1C2=O 586993999 TZKUTJQPYONTGM-NRFANRHFSA-N 423.899 6.055 0 1 HKAF Cc1c(Cl)ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 587001484 YLNKGIXUCUURJD-GORDUTHDSA-N 405.679 5.229 0 1 HKAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587061126 AXYFHKMODMOPCX-IBGZPJMESA-N 419.937 7.023 0 1 HKAF COc1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1C 587068954 AARPFKSWDAYWKM-HKWRFOASSA-N 402.925 6.707 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Cl)c(F)cc2[nH]1)c1cccc(Cl)c1 587071776 PZBFXCKMGUWHIH-HNNXBMFYSA-N 424.303 5.817 0 1 HKAF N=c1[nH]cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc-2[nH]1 587077150 QOWFBWULZWMCKH-KAMYIIQDSA-N 424.895 5.072 0 1 HKAF CCOc1ccccc1[C@](N)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F 587093851 YQOOVDCOKHCLFX-INIZCTEOSA-N 404.219 5.033 0 1 HKAF CN(C)c1ccc([C@@H]2CC(=O)Cc3nc4cccc5c4c(c32)-c2ccccc2C5=O)cc1 587105008 ZAWGMHYWTNQBGM-QFIPXVFZSA-N 418.496 5.159 0 1 HKAF Fc1c(F)c(F)c(/C=C/c2nc3cc(Cl)cc(Br)c3[nH]2)c(F)c1F 587132754 UUAAURNUUXWJDA-OWOJBTEDSA-N 423.566 5.845 0 1 HKAF COc1cc(OC)c2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3F)nc2c1 587144272 HFXVGELZNYTSOB-UHFFFAOYSA-N 406.413 5.060 0 1 HKAF Fc1ccccc1CCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587148724 FJWRIJBBUFXVQU-UHFFFAOYSA-N 403.173 5.148 0 1 HKAF Cc1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1C 587165857 MUZPDHKKJQCCBG-UHFFFAOYSA-N 411.484 5.656 0 1 HKAF Oc1c(Br)cc(Br)cc1-c1cc2c3c(cccc3n1)CC2 587208050 KMQGNSWUAZNDTC-UHFFFAOYSA-N 405.089 5.231 0 1 HKAF COc1cccc(-c2cc(-c3c[nH]c4ccc(OC)cc34)nc3c2oc2ccccc23)c1 587361956 BKKXRKGKFXIVQQ-UHFFFAOYSA-N 420.468 6.814 0 1 HKAF COc1cccc(-c2cc(-c3cc4c(cc3N)OCCO4)nc3c2oc2ccccc23)c1 587362664 IYPSJTYGPFLIII-UHFFFAOYSA-N 424.456 5.677 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC=C(c2ccccc2)C3)c1 587366876 NVLSYWQELLVYBR-UHFFFAOYSA-N 403.481 6.839 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ncc(C(F)(F)F)cc1Cl)O2 587382815 ORBJTJHUWFXGRH-QGZVFWFLSA-N 421.806 5.142 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc(C=O)cc3)cc1)CC2=O 587476208 FJJIRQZERVZCLU-DEOSSOPVSA-N 402.446 5.656 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1nc3ccc(Br)cc3s1)CC2=O 587494674 LQCJTEBZVCGCKY-INIZCTEOSA-N 418.312 5.423 0 1 HKAF Cc1cc(Cl)c2c(c1)[C@]1(CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551746 JEIALXHNUOEOGK-YKSBVNFPSA-N 422.864 5.384 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cccc(Cl)c2n1 587552462 RPKGFOMMADYJCX-AUSIDOKSSA-N 403.821 5.297 0 1 HKAF C[C@@]1(C2CCC(C(F)(F)F)CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557225 QTTSPYHOKPQMLL-RXMVWMHSSA-N 406.400 5.481 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1N1CCCCC1 587596502 RLROZCOCEXYRBN-RCZVLFRGSA-N 401.462 5.085 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(-c3ccccc3)cc12 587605404 ZMNXXUGJDNYBQK-LBNVMWSVSA-N 420.464 5.863 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccsc2)s1 587614726 SVXXGVPVIFLTJQ-XLIONFOSSA-N 407.472 5.280 0 1 HKAF COc1ccc(C(C)(C)C)cc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657514 YJXOPJPZEIOJPM-UHFFFAOYSA-N 420.459 5.637 0 1 HKAF CCCCn1nc(C)c(Cl)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587700107 UOLJAIJFJIYLKX-QGHHPUGFSA-N 414.750 5.170 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2)(C(F)(F)F)N1 587708785 DMWGGPOMOMTSID-XXFAHNHDSA-N 406.192 5.067 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2C(F)(F)F)N1 587712836 QYQOIJAOLZFIMV-VPTHRUTESA-N 406.192 5.370 0 1 HKAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1Cl 587718854 OOTMBFCYDCQFJQ-XTZNXHDOSA-N 400.694 5.487 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccc(F)cc12 587736774 WWCHCFNOPIVNTI-IPQOISQHSA-N 412.277 5.534 0 1 HKAF CCCCCCOc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587791938 KDVZXZAJGYNTBV-QRQCRPRQSA-N 420.366 6.171 0 1 HKAF COc1ccc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 587804214 AGKOROYTXPKWKD-GTJPDFRWSA-N 400.291 5.374 0 1 HKAF CC(C)c1ccc([C@@]2(C(C)(C)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587827415 OOIKMQVNHAZIKF-JLCFBVMHSA-N 420.366 5.260 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)COC(C)(C)O3)N1 587832450 JUOLTLIPJQSVOA-GTJPDFRWSA-N 420.322 5.031 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3nccs3)c2)N1 587853274 MDSPOQVYNBJAER-ADLMAVQZSA-N 403.320 5.335 0 1 HKAF Cc1nc(C(C)(C)C)sc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587853410 QYFLVHIVGMTFIW-APBUJDDRSA-N 411.384 5.448 0 1 HKAF Cc1cccc(-c2csc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2)c1 587856289 XKOOJSGOZJWBMW-BLVKFPJESA-N 417.347 5.644 0 1 HKAF Fc1cccc(-c2noc(-c3cccnc3-n3nc4cc3Oc3ccc(F)cc3-4)n2)c1 587874240 ZAXLVDZTVXSUCW-UHFFFAOYSA-N 415.359 5.035 0 1 HKAF Oc1ccc(-n2c(O)cc(-c3ccccc3Br)c2O)cc1-c1ccccc1 587926039 JWPVOTRHFYCKBM-UHFFFAOYSA-N 422.278 5.691 0 1 HKAF Fc1c(Br)ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587950190 QIJAHNKARSPANW-RAXLEYEMSA-N 409.258 6.427 0 1 HKAF Cc1nc(O)c2c(-c3ccccc3)c(-c3ccccc3)n(-c3cccc(Cl)c3)c2n1 653851617 DZIAMKNQEIFFLC-UHFFFAOYSA-N 411.892 6.422 0 1 HKAF O=C(CSc1ncnc2c1sc(=S)n2-c1ccccc1)c1cccs1 958026607 YONAPMMPNRPGJU-UHFFFAOYSA-N 401.563 5.248 0 1 HKAF O=C(O)CCC[C@]1(c2cccc(Cl)c2)NCCc2cccc(-c3ccccc3)c21 962672479 YGKWCFXJBYRUHN-RUZDIDTESA-N 405.925 5.651 0 1 HKAF COc1cc2ccccc2c([C@@H]2c3ccsc3CCN2Cc2cccnc2)c1OC 962998668 OPMIRQYLIHFKOE-DEOSSOPVSA-N 416.546 5.461 0 1 HKAF Cc1cc([C@]2(C(F)(F)F)c3ccsc3CCN2Cc2cccnc2)ccc1F 962998742 VSRXEJYIYVNLLD-HXUWFJFHSA-N 406.448 5.455 0 1 HKAF CSc1ccc([C@@]2(CCCCC(=O)O)c3c(F)cccc3C[C@H]3CCCN32)cc1 963087636 DHRCVTBKIIVBDM-DVECYGJZSA-N 413.558 5.457 0 1 HKAF Cc1ccc2c(c1)[C@]1(CCO2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963817470 NCDSLCTZRHTGJF-MHZLTWQESA-N 410.517 5.227 0 1 HKAF O=C(Nc1ccnc(F)c1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12 1772573750 IYAPTLJEECGWEB-UHFFFAOYSA-N 415.255 5.178 0 1 HKAF Oc1ccc2cc1Oc1cc(ccc1O)CC[C@@H](NCCc1ccccc1)CCCC2 1857599186 XGESKSVGCNQPST-QHCPKHFHSA-N 417.549 5.750 0 1 HKAF O[C@H](CNc1ccc(-c2ccccc2)cc1)COc1cccc2[nH]c3ccccc3c12 1857635493 KULGSXAPQGZJEO-JOCHJYFZSA-N 408.501 5.840 0 1 HKAF Cc1ccc(Cc2c(-c3cccc(Br)c3)nc3ccc(Cl)cn23)cc1 72120384 ZFHRNIWMMITSRI-UHFFFAOYSA-N 411.730 6.316 0 3 HKAF O=C(c1ccco1)N1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)CC2 3955880 VKMKECLLYOSGCX-UHFFFAOYSA-N 400.522 5.469 0 1 HKAF Clc1ccc(-c2c[nH]cc2[C@H](c2ccc(-c3ccccc3)cc2)n2ccnc2)cc1 5974799 HWSJKRRNBGOLBM-SANMLTNESA-N 409.920 6.836 0 1 HKAF O=c1oc(-c2ccccc2)cc(O)c1[C@H](SCc1ccccc1)c1ccccc1 13740573 QSFOQTCPGNVRSL-XMMPIXPASA-N 400.499 6.035 0 1 HKAF CCCCN(CCCC)S(=O)(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C 13747393 FDLKBWYKGNYCOB-UHFFFAOYSA-N 411.612 5.202 0 1 HKAF O=C1C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O 27085850 UKEQLQYAEAYLCA-JTQLQIEISA-N 408.668 5.112 0 1 HKAF COc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc(C(C)=O)cc2)cc1 27192760 UCGBGPHKTKDPKM-CLJLJLNGSA-N 413.517 5.625 0 1 HKAF C[C@@H](c1ccccc1)[C@@H](C)O[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O 27553431 QCBYZOSVCCPKPO-BFIDETRKSA-N 418.924 5.664 0 1 HKAF CCCCCC(=O)c1ccc(OCc2ccc(C(=O)O)cc2OC)c(CCC)c1O 27899195 LROVWVPLHDPYRT-UHFFFAOYSA-N 414.498 5.394 0 1 HKAF C[C@@H](NC(=S)Nc1ccc(NC(=O)c2ccccc2F)cc1)c1ccc(F)cc1 28362963 IVSFAYVOGHVSMI-CQSZACIVSA-N 411.477 5.265 0 1 HKAF CCCCc1nc(Cl)c(CO)n1Cc1ccc(/C=C/c2ccccc2C(=O)O)cc1 28762385 NNYMFXJXOZSSIX-BUHFOSPRSA-N 424.928 5.288 0 1 HKAF c1ccc(CSc2nnc(-c3cc4ccccc4s3)n2Cc2ccccc2)cc1 28976673 SFBDCKQHCRQZKT-UHFFFAOYSA-N 413.571 6.500 0 1 HKAF CCCCc1ccc(C(=O)NCCCCNc2ccnc3cc(Cl)ccc23)cc1 35190656 QDYCXPDLEVAJMV-UHFFFAOYSA-N 409.961 5.853 0 1 HKAF O=C1NC(C2CCCCC2)(C2CCCCC2)CN1C1CCN(Cc2ccccc2)CC1 35324431 INXPOROWIALBHJ-UHFFFAOYSA-N 423.645 5.576 0 1 HKAF C[C@]1(c2ccccc2)CC([C@@H]2CCC[C@H]2C(=O)NC2(c3ccccc3)CCC2)=NO1 45258997 BNOVZRYNDIHNQL-TZBSWOFLSA-N 402.538 5.290 0 1 HKAF N=C(N)c1cc2cc(-c3cccc(O[C@H](C(=O)O)c4ccc(F)cc4)c3)ccc2s1 45366979 KKHYPTNPVYXQNR-NRFANRHFSA-N 420.465 5.196 0 1 HKAF COc1ccccc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(F)cc1 58604115 JWESMYAXISKMKG-XPNTWCBSSA-N 424.472 5.679 0 1 HKAF O=c1c(Cc2ccccc2)c(-c2cccc(O)c2)[nH]c2ccc(N3CCCCC3)cc12 72113123 FVSURJVLCNDVRZ-UHFFFAOYSA-N 410.517 5.482 0 1 HKAF CSc1ccc([C@H](O)c2nnc(Nc3cc(C(F)(F)F)ccc3F)s2)cc1 82082933 OJXIOTOZJLJADX-AWEZNQCLSA-N 415.437 5.243 0 1 HKAF Cc1cccc(-c2nc(NCc3ccccc3)ncc2-c2nc3ccccc3s2)c1 82173738 JIOIVAIQZSTCJL-UHFFFAOYSA-N 408.530 6.341 0 1 HKAF CN1C(=O)[C@@](C)(c2ccccc2)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 96928718 NRDYDSNEKUWGBF-HSZRJFAPSA-N 424.422 5.304 0 1 HKAF Clc1ccc([C@H](Cn2ccnc2)OCc2cccc(Cl)c2Cl)c(Cl)c1 103186093 XTKZBMXOVFSCPT-KRWDZBQOSA-N 416.135 6.455 0 1 HKAF COc1ccnc(Nc2ccc(Cl)c(OCc3ccc(Cl)cc3Cl)c2)n1 103248597 DESHKQRUOWNKLB-UHFFFAOYSA-N 410.688 5.768 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2cccnc2)C[C@@H](c2ccc3c(c2)OCO3)C1 103998795 WPXIGLRUJWWBDD-CRICUBBOSA-N 411.461 5.439 0 1 HKAF Cc1ccc2ncc(S(=O)(=O)c3ccc(C)c(F)c3)c(N3CCC(C)CC3)c2c1 137690623 YKRBCZMMXCHQQQ-UHFFFAOYSA-N 412.530 5.060 0 1 HKAF O=S(=O)(c1ccc(Cl)cc1)c1sc2ncccc2c1-c1ccccc1F 149344474 IMORFWCAAVTZJC-UHFFFAOYSA-N 403.887 5.589 0 1 HKAF C[C@]12CC[C@@H]3[C@@H](CN=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)c1c(F)cccc1F 169714167 ZVOZPZBEWNXSAO-ZNKCXWIKSA-N 413.508 5.420 0 1 HKAF Cc1ccccc1CCN1CCCC[C@@]12CCc1cc(-c3ccccc3)ccc1C2=O 207874203 PHGQNEIONCWNSA-LJAQVGFWSA-N 409.573 6.258 0 1 HKAF C/C(=C\C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 257399920 CTWRZEHGRSDRPG-BLGMEIQUSA-N 412.702 7.801 0 1 HKAF endogenous,in-man CSc1scc2c1-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O 586994254 RGELBTBEZQAELL-UHFFFAOYSA-N 401.512 5.701 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc4ccccc4cc3[nH]1)N2 587030918 JUBOICDQGZNVAB-CCOVPTLTSA-N 420.563 5.843 0 1 HKAF FC(F)(F)Oc1cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2cc1Cl 587053584 FYEHYFUQIQMWCS-PLNGDYQASA-N 407.606 6.592 0 1 HKAF CCCCCOc1cc2nc(CNc3ccccc3Cl)[nH]c2cc1Br 587060187 DXHNZSMQAPRDHH-UHFFFAOYSA-N 422.754 6.160 0 1 HKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(Cl)cc(Br)c2[nH]1 587061899 KYRPDGRIIHIFAE-CYBMUJFWSA-N 400.103 6.162 0 1 HKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 587061977 MHZGCZDQJGAHDO-MRXNPFEDSA-N 423.738 6.296 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cccc(F)c4[nH]3)c(Cl)cc12 587078497 SJLAZJXZKXOQNS-LLVKDONJSA-N 400.837 5.554 0 1 HKAF Cc1nc(-c2cnccn2)sc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587102062 OHBONWRINRUAKF-UHFFFAOYSA-N 420.497 5.644 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(-c4ccccc4)c(F)c3)nc3cccc1c23 587104555 YQMUTCCJRLZQOI-UHFFFAOYSA-N 401.440 6.919 0 1 HKAF CCCCC[C@H]1c2nc3cccc4c3c(c2C[C@H]1CC(=O)OC)-c1ccccc1C4=O 587106215 HEPDMCFZLXUVHV-DLBZAZTESA-N 413.517 5.846 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)C[C@H]21 587108064 XWPNACPYELMUCT-OXQOHEQNSA-N 412.489 5.095 0 1 HKAF Cc1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2cc1Br 587138099 WEBHFTBLORWMLX-UHFFFAOYSA-N 402.036 5.342 0 1 HKAF O=C(O)c1ccc(-c2cc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)ccc2F)cc1F 587139003 ZFCSLBBWXRWXEO-UHFFFAOYSA-N 419.214 6.180 0 1 HKAF Clc1cc(I)cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 587181975 APMHQKLLWJMSNV-UHFFFAOYSA-N 424.456 5.190 0 1 HKAF C[C@]1(c2ccc(Cl)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339111 YCOITHYZMSGICF-IFMALSPDSA-N 400.808 5.598 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(C(=O)c3cccc4cccc2c34)[C@H]1c1ccc(F)cc1 587353846 PEVAGRUGEQTBEY-OZXSUGGESA-N 410.400 5.135 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2SCCS[C@@H]2C3)c1 587365818 HNNKRHGUYASELF-WZONZLPQSA-N 405.544 6.102 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1c[nH]c3ccc(Br)cc13)O2 587373982 WFJFOQAPNOJUAO-NRFANRHFSA-N 413.315 5.178 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1coc3ccc(O)cc13)O2 587384717 NQGLCPXDGQEJLL-DEOSSOPVSA-N 403.409 5.077 0 1 HKAF COc1cc2c3c(c1)O[C@@](CCc1ccccc1Cl)(c1ccccc1)[C@@H](C2)C3=O 587421116 SVJKRILHEHOGKI-CPJSRVTESA-N 404.893 5.624 0 1 HKAF Cn1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc2cc(C(F)(F)F)ccc21 587504074 FBIFXHOZOSTJRQ-LJQANCHMSA-N 400.400 5.177 0 1 HKAF Cc1ccc(F)c2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C(C)(C)C)[nH]c12 587505374 IKYFEGIAJDZFAN-HXUWFJFHSA-N 405.513 6.498 0 1 HKAF O=C1C[C@H](c2ccc(OC(F)F)c(OCC3CC3)c2)Oc2c1ccc1c2CCCC1 587506227 MYZBVZHUYVPPIZ-OAQYLSRUSA-N 414.448 5.662 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(C(F)(F)F)cc12 587542614 ALCVXOGPUVZXEA-DENIHFKCSA-N 412.363 5.214 0 1 HKAF Cc1cccc(OCc2nc3c(Br)ccc(Br)c3[nH]2)c1C 587564709 WKQRKFSHWDITJC-UHFFFAOYSA-N 410.109 5.284 0 1 HKAF CN1c2ccccc2C2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587586153 HPBGOQAMIYHVTD-DEOSSOPVSA-N 421.452 5.379 0 1 HKAF Fc1cccc(-c2c(-c3ccc(Cl)c(Cl)c3)[nH]c3ccc(F)c(Cl)c23)c1 587630309 ITXPAQFSOOJCQZ-UHFFFAOYSA-N 408.662 7.740 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3c[nH]c(C(=O)OC)c3)c(-c3ccc(Cl)cc3)c2c1 587639828 DNBYTEANYMIESX-CQSZACIVSA-N 406.913 6.784 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(-c3ccccc3Br)c2c1 587641009 IBXWNCMQWGIISL-OAHLLOKOSA-N 422.341 7.917 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(Cl)cc2Cl)N1 587698345 VCXXJICAYRHMDX-YPMLDQLKSA-N 417.149 5.887 0 1 HKAF Cc1ccc2nc(Cl)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587707775 WZGHGUAUQITGGU-NSPYISDASA-N 419.725 5.722 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(C(F)(F)F)N1 587707891 XXSDOWOMUWYHRE-APPDUMDISA-N 402.229 5.123 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)cc2F)N1 587712995 RLMFUVUAZRHWBV-XLFHBGCDSA-N 420.219 5.544 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)cc2)N1 587715046 RFFCTMGBDBPXSJ-BTDLBPIBSA-N 402.229 5.405 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC(F)(F)F)c2F)N1 587721393 PUFLILZHKZNXGZ-BCTVWOGZSA-N 422.191 5.250 0 1 HKAF CCOC(=O)C[C@]1(CCCC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587792223 AYXDZRHCWILUIM-VLIAUNLRSA-N 414.359 5.097 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OC(C)(C)C)cc2)N1 587795650 RZAXNVXSJPPPBB-YEJXKQKISA-N 406.339 5.563 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587813382 BWWXBKIEFXCZPB-MZNJEOGPSA-N 424.357 6.031 0 1 HKAF Cc1ccc(C2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587813395 BZELNGLWLXJECC-QGZVFWFLSA-N 424.357 6.031 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(C2CCCCC2)N1 587817445 CBOQHLXAALKAMT-QMHKHESXSA-N 416.378 6.141 0 1 HKAF Cc1nc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cs1 587855740 VURSVWLXEBVSHI-NIVTXAMTSA-N 423.376 5.705 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cncc(Br)c1 587858145 YKWLKJXWBPHFED-UHFFFAOYSA-N 413.102 5.402 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C)c2cc(C)cc(C)c2n1 587867784 AZVXNFRPGWMSPH-UHFFFAOYSA-N 412.415 5.435 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3cccc4cccnc34)n2)cc1 587923457 QGEYLBIARKQWOB-UHFFFAOYSA-N 421.500 7.313 0 1 HKAF COc1ccc2cc([C@@H](C)c3nc4c(F)cnc(Br)c4[nH]3)ccc2c1 587935695 UMGCSJLDVMRYMS-SNVBAGLBSA-N 400.251 5.173 0 1 HKAF CCCOc1cc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2cc1Br 587961226 KNOGESCIYDIJRZ-UHFFFAOYSA-N 421.338 6.372 0 1 HKAF CC1(C)CCC(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CC1 587962421 JGVXJYBDQSFSPY-UHFFFAOYSA-N 405.258 5.983 0 1 HKAF Cc1cccc(CC[C@@]2(c3ccc(Cl)cc3)c3ccsc3CCN2C(N)=O)c1 962720682 XRWUAKHAEUBYAB-HSZRJFAPSA-N 410.970 5.523 0 1 HKAF COc1ccc(-c2cc(F)ccc2Cl)cc1[C@H](CC(=O)O)c1ncc(C)s1 1772616327 PBVRBDARSSOVRE-INIZCTEOSA-N 405.878 5.526 0 1 HKAF Cc1[nH]c2ccc(-c3ccccc3)cc2c1C[C@H](NCc1ccccc1)c1ccccc1 1857538026 PVIQUAJACJHNOA-PMERELPUSA-N 416.568 7.217 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)Nc1cccc(O)c1 1857543687 IMZIPOZFIJQIPJ-KUBAVDMBSA-N 419.609 7.809 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1ccc2cnccc2c1 1857633879 ADODHVVCFHLOHD-RWPYVKSISA-N 401.594 6.642 0 1 HKAF C=CC(=O)Nc1ccc(-n2c(=O)ccc3oc4ccc(-c5ccc(O)cc5)cc4c32)cc1 1857651053 AHGGDGKTPNPXIU-UHFFFAOYSA-N 422.440 5.234 0 1 HKAF CC1(C)CC[C@@H]2C(=CC[C@]3(C)[C@@H]2CC[C@@H]2[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]23C)C1 2356491663 OBHWNKUWFZOSIH-PDFHHROASA-N 412.702 7.779 0 1 HKAF CC(C)CC[C@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356528965 NYZFLRDFXVCLQW-MWESODIASA-N 416.646 5.827 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC=C2C3=C(CC[C@@]21C)[C@]1(C)CC[C@@H](O)C[C@H]1CC3)C(C)C 2356604994 MZYZVYBSCOUPPO-OUMQLPJCSA-N 410.686 8.009 0 1 HKAF CC(C)=CC[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](N(C)C)CC3=CC[C@@]2(C)[C@H]2CC[C@H]3CNC[C@]312 2356723553 MTTYFJALUXXPNR-WAUSRBLZSA-N 410.690 6.051 0 1 HKAF CC(C)[C@@H]1CCN[C@@H]1C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](N)C=CC[C@]4(C)[C@H]3CC[C@]21C 2356797568 OCPRMTDWHSHOAF-IBRWRGEISA-N 424.717 6.329 0 1 HKAF COc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)NCC1CCCCC1 2481204 YLGAVNKUTOXLTM-UHFFFAOYSA-N 424.928 5.981 0 1 HKAF CC(C)=CCC[C@H](C)CCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 13560476 CKGWUXLDAKJOPO-HMNVQUIHSA-N 418.622 5.350 0 1 HKAF Cc1cc2ncn(C/C=C3\c4cc(C(=O)O)ccc4COc4ccccc43)c2cc1C 13727157 AHZSPDQUXJKOBT-UKWGHVSLSA-N 410.473 5.376 0 1 HKAF COC(=O)c1cc(Nc2ccc(F)cc2)c(Nc2ccc(F)cc2)cc1C(=O)OC 13735543 PRAKUYLJFUQFBZ-UHFFFAOYSA-N 412.392 5.025 0 1 HKAF Oc1cccc([C@@]23CCN(CCc4ccccc4)[C@@H](Cc4[nH]c5ccccc5c42)C3)c1 13741151 VKQDNMNJRBVFMC-DWACAAAGSA-N 408.545 5.423 0 1 HKAF CCCCCCO[P@@](=O)(O)C(Cl)(Cl)[P@@](=O)(O)OCCCCCC 26386357 NXTXSFZXPIWUPB-UHFFFAOYSA-N 413.215 5.640 0 1 HKAF Cc1cc(C)cc(-n2cc(CC(=O)N(C)C)c(-c3ccc(Cl)c(Cl)c3)n2)c1 26577697 NGFRLENDZLAXTF-UHFFFAOYSA-N 402.325 5.094 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)n1ccc2ccccc21 26970164 ZKJLGJLBCWOCRC-SPJVVLKCSA-N 416.565 5.195 0 1 HKAF O=C(Nc1ncc(Cl)s1)N(CC1CCCC1)c1ccc(C(F)(F)F)cc1 28120692 YBEPAAUPLPQBNL-UHFFFAOYSA-N 403.857 6.044 0 1 HKAF c1ccc(C(c2ccccc2)[C@@H]2CC[C@H]3CN2CCN3c2cccc3ccccc23)cc1 28392032 QVYKCXRORLVKGF-WNJJXGMVSA-N 418.584 6.325 0 1 HKAF CCN[C@@H](c1c(Cl)cccc1Cl)[C@@H](NCC)c1c(Cl)cccc1Cl 28764740 NVUUFFOEABCOCG-ROUUACIJSA-N 406.184 6.302 0 1 HKAF Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)c(Cl)cc32)cn1 29485619 YUGHQIHRDKJIHS-UHFFFAOYSA-N 415.280 5.479 0 1 HKAF O=C(Nc1ccccc1)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3 36221689 PNQVNINMHSUQSR-VXQMPNGUSA-N 416.565 5.766 0 1 HKAF in-vivo COc1cc(N[C@@H](C)CCCN)c2ncccc2c1Oc1ccc(Cl)cc1Cl 40465074 WPTUGKUKJSFAAM-ZDUSSCGKSA-N 420.340 5.882 0 1 HKAF CC(=O)N1CCC[C@H]1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccccc1F 43013927 JNQAFRASIYISAZ-NRFANRHFSA-N 416.456 5.240 0 1 HKAF O=C(COc1cccc(Cl)c1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 45357955 YDGOIZHDNCGKKJ-UHFFFAOYSA-N 413.260 5.819 0 1 HKAF CN1CCN(c2ccc(Nc3ccnc4ccc(-c5cccs5)cc34)cc2)CC1 58520201 NYAKXFGVENFYPE-UHFFFAOYSA-N 400.551 5.459 0 1 HKAF CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1ccccc1C(F)(F)F 64633917 HMSKUYGSVCQAGJ-KRWDZBQOSA-N 406.404 5.010 0 1 HKAF CC[C@H](C)Cn1c(-c2cccs2)nc2c(NCCCc3ccccc3)ncnc21 82179967 XIZOKBIBMBPMSS-KRWDZBQOSA-N 405.571 5.646 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2ccc(C(F)(F)F)cc2)cc1O 84669948 UIYVBRHCOWAVRM-OBOBVVSZSA-N 416.483 7.522 0 1 HKAF CCCCOc1ccc(C(=O)Nc2ccc3cc(CN4CCCC4)cnc3c2C)cc1 84689249 ZLQXQZSAJCOABZ-UHFFFAOYSA-N 417.553 5.570 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 96903692 UYOSSIFSBNNKRC-XJZYBRFWSA-N 420.678 5.410 0 1 HKAF O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1cc(-c3cc4ccccc4o3)ccc12 103049106 BTNCGYQZSCSVSF-NTKDMRAZSA-N 409.485 6.671 0 1 HKAF Brc1ccc(Cn2cc(-c3ccc4oc5ccccc5c4c3)nn2)cc1 103237283 YDLYABIXPRRVOI-UHFFFAOYSA-N 404.267 5.655 0 1 HKAF O=C(O)c1cc(-c2ccsc2)c2ccc(OCc3c(F)cc(F)cc3F)cc2c1 141418692 GEIXUIQIFMLTDI-UHFFFAOYSA-N 414.404 6.263 0 1 HKAF COc1cc(C)c(O)c(C[C@@]2(C)[C@@H](C)CC[C@@]3(C)[C@H](CCC(=O)O)C(=O)CC[C@H]23)c1 145691831 FRTNTAVODGVORM-HKABWDKLSA-N 416.558 5.154 0 1 HKAF COc1ccccc1C[C@H](c1ccccc1)N1CCN(C2CCCCCCC2)CC1 169317884 CPKJSXZGPXKFPK-AREMUKBSSA-N 406.614 5.710 0 1 HKAF CCN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1 169347397 URITWCQCSMKHHZ-UHFFFAOYSA-N 401.897 5.613 0 1 HKAF Cc1nc2c(c(-c3ccc(F)cc3)n1)CCN(C(=O)c1cccc(Cl)c1Cl)C2 219435905 YYBCQUPKEBSBNT-UHFFFAOYSA-N 416.283 5.096 0 1 HKAF O=C(Nc1ccc(Br)cc1)Nc1nc(-c2cc3ccccc3o2)cs1 473089217 RAIFXGROINUDHY-UHFFFAOYSA-N 414.284 5.963 0 1 HKAF CCCCOc1cc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2cc1Br 586896486 RSGPKOMXSBYBDW-UHFFFAOYSA-N 401.304 5.290 0 1 HKAF Clc1cncc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 586999543 ACUWJAXUCDXITL-UHFFFAOYSA-N 414.694 5.048 0 1 HKAF Cc1cc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2cc1F 587059635 XREBRINOFXVRFY-UHFFFAOYSA-N 402.256 5.194 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587068695 BRDNXRQYGUXNCM-QESQTXLRSA-N 408.720 5.043 0 1 HKAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587080559 QJDBRMCFQXIHBR-LJQANCHMSA-N 402.885 5.732 0 1 HKAF CCOc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)ccc1OC(F)F 587130047 JHHOSEZVMMQRGD-GQCTYLIASA-N 410.323 5.055 0 1 HKAF Fc1ccc(-c2ccsc2-c2nc3cc(I)ccc3[nH]2)cc1 587164208 OSBLDYDBTAVAEV-UHFFFAOYSA-N 420.250 5.702 0 1 HKAF CC[C@H](C)n1ncc(I)c1-c1nc2cc3ccccc3cc2[nH]1 587180008 BUCHWPPZHZRYRZ-NSHDSACASA-N 416.266 5.155 0 1 HKAF Cc1c(Cl)ccc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c12 587229933 MOZILNHPZDLTMA-UHFFFAOYSA-N 412.921 5.489 0 1 HKAF CC(C)Sc1ccc(CC(=O)c2c(CO)oc3cc(Br)cnc23)cc1 587275877 GYDHVBBXQJVISV-UHFFFAOYSA-N 420.328 5.009 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](c2ccc(F)cc2)C3)c1 587359553 FLOOCXXNPUVMDF-GOSISDBHSA-N 423.487 7.068 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(-c3ccc(Cl)cc3)n3ccccc13)O2 587378355 BNHAIPFZMMMBAD-FQEVSTJZSA-N 403.869 5.252 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587403622 PDXHZSJMBAGZPA-JOARPAQESA-N 409.614 7.501 0 1 HKAF CC[C@]1(c2ccc(Br)cc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587412048 GXHUSNGFZAACOW-AUUYWEPGSA-N 407.691 5.164 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1OCC)CC2=O 587457606 LEKICBWPACQSHE-LJQANCHMSA-N 405.288 5.212 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc3c1CN(C(=O)OC(C)(C)C)C3)CC2=O 587489867 WMXKXAGMGNPVEZ-JOCHJYFZSA-N 423.509 5.302 0 1 HKAF O=Cc1nc2ccccc2cc1[C@]1(c2ccco2)CC(=O)c2ccc3c(c2O1)CCCC3 587526481 PORQOQLBLATEHU-MHZLTWQESA-N 423.468 5.428 0 1 HKAF COC(=O)c1ccccc1-c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587534751 YBBUEWAIPOJMJN-HSZRJFAPSA-N 402.446 5.319 0 1 HKAF COc1ccc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587548563 ODSOIZJCWMMGAH-NQIIRXRSSA-N 416.351 5.123 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)C1CCCC1 587568934 GJVFMMCKGIJJES-RCZVLFRGSA-N 404.437 5.579 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cccc(F)c1 587572060 QYLDWXTTWJWDNV-ZJSXRUAMSA-N 401.393 5.025 0 1 HKAF C[C@@]1(c2csc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611253 GAXUMTGZSHIJDP-APWZRJJASA-N 417.280 5.093 0 1 HKAF CC(C)c1ccc2c(c1)[C@@]1(CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613522 YHRVVZAPNUDXGX-ZEQKJWHPSA-N 416.473 5.545 0 1 HKAF Cc1csc2sc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)c12 587616364 CPTMNTPEROOEQH-FXAWDEMLSA-N 408.500 5.988 0 1 HKAF CC1(C)O[C@H](c2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587617701 QNIYQDPILYQMLG-STWLZBDKSA-N 402.446 5.033 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccccc2)o1 587618550 UQHJSCNDISNUBA-WIOPSUGQSA-N 414.413 5.267 0 1 HKAF COc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)(F)C(F)(F)F)cc1 587630065 PWZBBJWWVQVAPJ-UHFFFAOYSA-N 421.724 6.016 0 1 HKAF CCN(CC)c1ccc(-c2nn(-c3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 587664268 APAKKVJSNFHBNL-UHFFFAOYSA-N 419.912 5.258 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCCC(=O)Cc2ccc(F)cc2)N1 587733448 LMGJOSQSNZTJED-DJJJIMSYSA-N 422.313 5.285 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCSc3c(F)ccc(F)c32)N1 587737215 YVMHTGYEKVGUEW-NIVTXAMTSA-N 414.290 5.140 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCN(Cc3ccccc3)C2)N1 587766530 NVHPSDYORQWRHT-ZHRRBRCNSA-N 417.366 5.004 0 1 HKAF Cc1ccc(-c2cncc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 587774617 NAJRHSHPMLFSNY-FPTDNZKUSA-N 411.318 5.582 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SC3CCCCC3)o2)N1 587845001 QATZCQKSEGPUSP-MPBGBICISA-N 424.379 6.230 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sccc2Oc2ccccc2)N1 587846079 SZGAQOVCUNIOEP-CWTRNNRKSA-N 418.331 6.066 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([C@H]3CCCCO3)s2)N1 587847900 MNEZZFIPTBIGJU-LCCAYYTGSA-N 410.352 5.515 0 1 HKAF Cc1nc(-c2ccncc2)sc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587857113 ZUKGZVOVBODSMH-BTDLBPIBSA-N 418.335 5.039 0 1 HKAF COc1cccc(-c2cccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)c2)c1 587938508 YTXHTWGJZMGUGX-UHFFFAOYSA-N 401.509 7.487 0 1 HKAF CCCOc1cc2nc([C@H](CC)O[C@@H]3CCC[C@@H](C)C3)[nH]c2cc1Br 587951758 ZYABQSNRFCCFPR-LBTNJELSSA-N 409.368 6.161 0 1 HKAF Nc1ccc(-c2ccc3nc([C@@H](Cc4ccccc4)c4ccccc4)[nH]c3c2)cc1N 587956357 YDWQWQNNRHPWGB-QFIPXVFZSA-N 404.517 5.769 0 1 HKAF Cc1ccc(COc2ccc3ccccc3c2[C@@H]2NCCc3ccc(F)c(C)c32)cc1 962378895 VIYKQGFPKQCJRE-MUUNZHRXSA-N 411.520 6.410 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccccc1)c1ccccc1CN1CCCC1 963233587 UTFLGELPCXNRSM-HLADLETHSA-N 424.632 6.231 0 1 HKAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1c(C(C)(C)C)[nH]c2c(C)ccc(F)c12 963639344 UYDSTRDWMGFWJW-FATZIPQQSA-N 410.533 5.554 0 1 HKAF Oc1ccc2c(c1)CCc1ccc(cc1)Oc1cc(ccc1O)/C=C/c1cccc(c1)O2 1772619014 ZIAOKNKVXBSSQQ-SNAWJCMRSA-N 422.480 6.951 0 1 HKAF Nc1cc(C(F)(F)F)c2nc(N3CCc4c([nH]c5ccc(Cl)cc45)C3)sc2c1 1857539632 YTXOBAUWOQXPFU-UHFFFAOYSA-N 422.863 5.595 0 1 HKAF CC(C)[C@@]1(C[C@@H](C)[C@@H]2CC[C@@H]3C4=CC[C@@H]5C[C@H](N)CC=C5C[C@H]4CC[C@]32C)C=NCC1 2356306964 LQMCJEXVBUNOCC-BDIPXFJGSA-N 422.701 6.956 0 1 HKAF CCC(=CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356384737 WSQWPVHORPUSOR-SPTWOZHASA-N 414.718 8.025 0 1 HKAF CC(=CCCC(C)=CCCC(C)=CCC[C@@]1(C)CCc2cc(O)cc(C)c2O1)CO 2356400539 CAGBDTBNTAQAEH-MHZLTWQESA-N 412.614 6.956 0 1 HKAF COc1cc2c(c(C)c1-c1ccoc1)C[C@@H]1[C@]2(C)C(=O)C[C@@H]2C(C)(C)[C@@H](O)CC[C@@]21C 2356555259 NQNPFZBDSDBVBI-OMODKAQXSA-N 422.565 5.470 0 1 HKAF C[C@@H](CCC(=O)C(C)(C)O)[C@H]1CC[C@@H]2C(=CC=C3C[C@@H](O)CC[C@H]3C)CCC[C@]21C 2356555301 QCDBAHGYVQYEGK-FWMXHSHSSA-N 416.646 5.993 0 1 HKAF CC(=CC[C@H](C)C(C)C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC[C@]12C 2356603397 BJJMHFSVVTWJFH-WUDBRHHOSA-N 414.674 6.526 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356673051 GKBHKNPLNHLYHT-OIJOHJFWSA-N 400.735 9.134 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)Cc1cc(O)cc(-c2cccnc2O)c1O 2356824610 GWMPSZIOAYAGPH-TXSOOPHKSA-N 407.554 6.207 0 1 HKAF COc1ccccc1CNC(=O)c1c(-c2ccccc2F)noc1-c1ccsc1 775353 CFRWGFFMMZZQJE-UHFFFAOYSA-N 408.454 5.148 0 1 HKAF CC1(C)CC=C(c2cccs2)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21 839593 RDUFCVJASUIVOF-UHFFFAOYSA-N 403.503 5.812 0 1 HKAF CC(C)C(=O)OCC(C)(C)[C@H](OC(=O)COc1ccc(Cl)cc1Cl)C(C)C 1580069 YLJSKVWGPBFKBU-GOSISDBHSA-N 419.345 5.165 0 1 HKAF O=C(O)c1nc2ccc(C(F)(F)F)cc2nc1Nc1ccc(Cl)c(Cl)c1 1647661 CCKNNWKBXVKHLZ-UHFFFAOYSA-N 402.159 5.397 0 1 HKAF CC(=O)O[C@@H]1[C@H](C)OC(=O)[C@H]1CCCCCCCCCCCCC1=C[C@H](C)OC1=O 13359020 FXNASNSEMIBZQX-YHDSQAASSA-N 422.562 5.033 0 1 HKAF biogenic CC(C)[C@@H](CN(C)Cc1ccccc1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 13446336 IMKYNOGRERXGAL-OAQYLSRUSA-N 407.385 5.151 0 1 HKAF CN(C)c1ccnc2sc3c(=O)n(-c4ccc(C5CCCCC5)cc4)cnc3c12 13676114 IHBSSYLSJQTOND-UHFFFAOYSA-N 404.539 5.109 0 1 HKAF Cc1cc(C)c2ncn(C/C=C3\c4ccccc4COc4ccc(C(=O)O)cc43)c2c1 13727140 MJCWVDJGJYXBHD-ZVBGSRNCSA-N 410.473 5.376 0 1 HKAF CCCCc1nc2cccc(C)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13828093 ZPXBZHWVBYCLIX-UHFFFAOYSA-N 422.536 5.583 0 1 HKAF O[C@@H](COc1ccccc1)CN1CCC(c2ccc(Cc3ccc(F)cc3)cc2)CC1 13836165 VWQGDNWLMBJUHU-AREMUKBSSA-N 419.540 5.036 0 1 HKAF CC(C)N(CC[C@]1(c2ccc(-c3ccccc3)cc2)C[C@@H]2CCCCN2C1=O)C(C)C 26265417 WYIANLZLPPZWJB-XTEPFMGCSA-N 418.625 5.885 0 1 HKAF O=C1CC[C@]2(c3ccc(-c4ccccc4)cc3)O[C@H](COc3ccc(Cl)cc3)CN12 27521499 SRWAGDFALVNPJM-UKILVPOCSA-N 419.908 5.260 0 1 HKAF Cc1ccc(-c2cc([C@H](O)[C@H]3CCCCN3)c3cccc(C(F)(F)F)c3n2)cc1 27523452 BFDAWTHIDDYAEE-KNQAVFIVSA-N 400.444 5.405 0 1 HKAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2ccc(Cl)cc2)[C@H]2CC[C@@H]1C2 27555241 LXTJSOWJRUNEQA-UDYYATQQSA-N 418.961 5.499 0 1 HKAF CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCCCC1 28711188 MFERCRZCIIIZQD-DHIUTWEWSA-N 410.642 8.175 0 1 HKAF c1ccc(-c2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@H]4c2ccco2)cc1 28712264 KQILLBSELBWUOK-JOCHJYFZSA-N 416.440 5.823 0 1 HKAF C[C@@](O)(c1nccs1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C 45256055 GVBOTHWKQLHFHQ-VJBMBRPKSA-N 409.530 5.257 0 1 HKAF Cc1cccc([C@H](O)CNc2ccnc(Nc3cccc(-c4csc(C)n4)c3)n2)c1 45321924 PGJGLIWMEYLGGE-OAQYLSRUSA-N 417.538 5.106 0 1 HKAF O=C(O)[C@@H]1CCCN(CC/C=C(/c2ccccc2)c2ccccc2C(F)(F)F)C1 66251738 YBRSOQNKLWRTMO-GEBKJHSDSA-N 403.444 5.324 0 1 HKAF CCCC[C@@H](c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCC[C@@H]1C 73221219 ZGPMBWMVYGOTRT-FIPFOOKPSA-N 404.642 7.055 0 1 HKAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccccc3)n2)C1 82132989 NSTOFVYHEMYNSS-KDURUIRLSA-N 406.574 5.031 0 1 HKAF O=C(Nc1ccc(F)cc1)N1CCc2ccsc2[C@H]1c1ccc(C(F)(F)F)cc1 84653759 ULKZMLUPDOZBMM-GOSISDBHSA-N 420.431 6.086 0 1 HKAF Cc1c(OCCCCN2CCCC[C@@H]2C)ccc2c(=O)cc(-c3ccccc3)oc12 96271255 YXQKMQFSGNZWHC-IBGZPJMESA-N 405.538 5.802 0 1 HKAF C[C@]1(O)C[C@@H](c2nc(-c3ccc(Oc4ccccc4)cc3Cl)c3c(N)nccn32)C1 100618830 GXHZAXZPRMIBNG-GPCKLQJOSA-N 420.900 5.053 0 1 HKAF COc1cccc(OC)c1[C@H]1CC[C@H](C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 103258887 SXUMWRLPVZHYBQ-WMLDXEAASA-N 423.431 5.102 0 1 HKAF CCc1cnc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccco2)s1 105193217 KINYATIIQDKZHA-DFEHZGFQSA-N 408.571 5.905 0 1 HKAF CCc1ccc(N[C@H](CC)c2ccc(Cl)c(C)c2)cc1CN1CC[C@@H](C(=O)O)C1 118397227 UURBHGPZIXVMPH-AUSIDOKSSA-N 414.977 5.681 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1nnc(-c2ccccc2)o1 118921541 UVHKEFNFHYSYQK-QOGDKHJUSA-N 418.581 6.144 0 1 HKAF CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137578385 WDYABBHZLHRNEE-ZUEHCLKBSA-N 418.662 5.330 0 1 HKAF CCOc1cncc(C2=CC[C@H]3[C@@H]4CC[C@H]5COC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)c1 146063636 AEPWKSIMWYUGOS-PTICSPAESA-N 409.570 5.669 0 1 HKAF O=C(Nc1ccc(O)cc1)c1ccc2c(-c3nc4ccc5ccccc5c4[nH]3)n[nH]c2c1 167270759 OFJKKVVLVRAGEF-UHFFFAOYSA-N 419.444 5.217 0 1 HKAF COc1ccccc1CNc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1 207720562 ATJZJFNKLXGVLI-UHFFFAOYSA-N 404.800 5.344 0 1 HKAF C[C@H]1CC(=O)[C@](C)(CCC(=O)O)[C@@H]2CC[C@]3(C)[C@H]([C@H](C)CCC(=O)O)CC[C@@H]3[C@H]12 253648076 VKFJUKMHHGHLBA-JKKXGGBJSA-N 406.563 5.026 0 1 HKAF O=C(OC[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc2ccccc2c1)c1ccccc1 253693446 JTWKFTQCKFYFJH-IKINDPIDSA-N 409.529 5.563 0 1 HKAF C/C(=C\[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)[C@H](C)C(C)C 257484781 MNBTWOPOWPOHGH-LRFRTYRLSA-N 410.686 7.721 0 1 HKAF endogenous,in-man CC(C)Oc1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586984825 JCLSYCWVEQGRBC-HXUWFJFHSA-N 414.347 5.298 0 1 HKAF Cc1cc(Cl)cc2c1OCCc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O 586993194 MLWBGQUBWBYMCU-UHFFFAOYSA-N 411.888 6.318 0 1 HKAF Brc1cnc2c(-c3nc4c(OCc5ccccc5)cccc4[nH]3)cccn12 587007801 PCXCZVIZNYAVOT-UHFFFAOYSA-N 419.282 5.219 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2c1 587016723 BBJVZODJBMKIDA-UHFFFAOYSA-N 405.708 5.473 0 1 HKAF FC(F)(F)C(F)(F)c1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cn1 587048046 FVWMYCDCGAMUQE-JGVFFNPUSA-N 422.184 6.190 0 1 HKAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 587116231 ADPXYKUVFIKYAO-UHFFFAOYSA-N 400.735 5.248 0 1 HKAF Cc1ccc2c(ccc3nc([C@@H](Oc4ccc(F)c(F)c4)c4ccccc4)[nH]c32)n1 587151589 RYDJNVCKPNCPMF-QHCPKHFHSA-N 401.416 5.866 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 587196505 XZSVRJABCHWCAH-UHFFFAOYSA-N 406.313 6.216 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(OCc3ccccc3)cc2[nH]1 587232947 DMBLXSBSTBMWSF-RBUKOAKNSA-N 407.514 5.303 0 1 HKAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc4ccccc4cc3[nH]2)c(O)c1 587239956 COSSJKYETKHPTM-UHFFFAOYSA-N 407.473 5.578 0 1 HKAF CC[C@H](C)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587354610 OFACHRZWADPMIU-SJZLBXHKSA-N 404.481 6.319 0 1 HKAF Cc1nc(-c2ccccc2Br)sc1-c1cc2c3c(cccc3n1)CC2 587361667 YIKZVBZMIHPKLA-UHFFFAOYSA-N 407.336 6.195 0 1 HKAF COCOc1ccccc1-c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587363337 RCYQGZKOJNBWRI-UHFFFAOYSA-N 411.457 6.306 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(Cc3ccccc3Cl)c1Cl)O2 587379908 MSKVOLBINUMINA-GOSISDBHSA-N 416.308 5.144 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1nc3ccccc3s1)(c1ccccc1)O2 587415747 WMYDRUFDUHBFLM-XMMPIXPASA-N 400.503 5.290 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(F)(F)F)cc(Cl)c1F)CC2=O 587464013 GJESVTUPTQNIBG-INIZCTEOSA-N 402.771 5.863 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(SC(F)F)c(OC)c1)CC2=O 587467862 UWGATDASMQTLOS-NRFANRHFSA-N 408.466 5.549 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC(C)C)([C@H](C)NC(=O)OC(C)(C)C)CC2=O 587470068 LXNXWWNURAIENV-NPMXOYFQSA-N 405.535 5.008 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(CC(C)C)cc1)(c1cccs1)CC2=O 587494488 LZVRCKTZIHXDGY-SANMLTNESA-N 420.574 6.514 0 1 HKAF Cc1[nH]c2ccc(Cl)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551632 HUSJTZZRIZBBPW-REWPJTCUSA-N 405.837 5.538 0 1 HKAF Cc1ccccc1-c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587603452 OSMOLWHHHYRPQU-SQHAQQRYSA-N 408.453 6.071 0 1 HKAF Cc1csc2sc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)c12 587616366 CPTMNTPEROOEQH-XLIONFOSSA-N 408.500 5.988 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCSc1ccc(Cl)cc12 587619673 UHQJZNAIPZNJQH-DENIHFKCSA-N 410.878 5.399 0 1 HKAF O=C(O)[C@@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 587627718 ABXGJKRNYMPMMX-IBGZPJMESA-N 414.263 6.497 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2c(C3CCCCC3)c(-c3ncccn3)[nH]c2c1 587628778 ZNVQETOVZIZSGJ-UHFFFAOYSA-N 413.365 6.710 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)cc(C(F)(F)F)c2)N1 587711334 KDOKXOAVRMAQSO-HUTHGQBESA-N 420.219 5.544 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2cccc(C(F)(F)F)c2)N1 587716403 VHHMKILNEPJCTA-ZMZPIMSZSA-N 416.256 5.815 0 1 HKAF Cc1ccc(C)c(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587758742 XZODKRZATBFHDV-NYHFZMIOSA-N 413.334 5.619 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(=O)OC(C)(C)C)c2)N1 587792706 MFIJJUXQCHRAQY-BUXKBTBVSA-N 420.322 5.167 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OC(C)(C)C)cc2)N1 587794524 OVKARKXYXHNRDX-ZSEKCTLFSA-N 406.339 5.563 0 1 HKAF CC(C)COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587795882 SJMAEGIUHDDKJC-SZNDQCEHSA-N 406.339 5.421 0 1 HKAF CC[C@H](C)Oc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587798241 YVVHQIWKWUNZIZ-BYVOGVQKSA-N 422.338 5.398 0 1 HKAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)(C)C 587807017 LGIXMHAUDTXTBQ-MPBGBICISA-N 406.339 5.518 0 1 HKAF NC(=O)c1cccc(-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)c1 587923093 NYDJHWNNKNHBIO-UHFFFAOYSA-N 413.477 5.863 0 1 HKAF CSc1ccc(-c2csc(Cc3cn4cc(Cl)cc(Cl)c4n3)n2)cc1 587925081 NICIHCWUQMFARQ-UHFFFAOYSA-N 406.363 6.077 0 1 HKAF CC(C)[C@]1(CCc2ccccc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962640393 QUZMVWVERRXLGM-XRKRLSELSA-N 410.605 5.918 0 1 HKAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@](c3ccccc3Cl)(C3CCC3)N12 962664817 KRSZETFSMOUPQU-LOSJGSFVSA-N 420.940 5.031 0 1 HKAF CCC[C@]1(c2ccc(Cl)c(O)c2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962698929 DCNOCDODUKYKKJ-ZHRRBRCNSA-N 405.966 5.592 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccccc2Cl)(c2ccccc2OC)N1 962957246 ODVZLANFEPHTKH-MRDQGFSESA-N 416.952 6.046 0 1 HKAF Cc1cc(C)c2ccc([C@@H]3c4ccsc4CCN3Cc3cccnc3)nc2c1O 962997718 SPALSEBAWSFUIS-QHCPKHFHSA-N 401.535 5.161 0 1 HKAF O=C1CCc2cc([C@]3(c4ccccc4)c4c(F)cccc4C[C@H]4CCCN43)ccc2N1 963098587 GPJFJZDFUYLMDD-AJTFRIOCSA-N 412.508 5.023 0 1 HKAF Cc1cccc2c1[C@@H](c1ccccc1C(C)C)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963863125 OUCKGQZGBNPUPR-NTKDMRAZSA-N 423.553 5.844 0 1 HKAF Oc1cccc(-c2cc(-c3cccc(C(F)(F)F)c3)nc3c2Cc2c(O)cccc2-3)c1 1857587572 HQMGYNIEUFYGMV-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1ccc2ccncc2c1 1857745897 FSVFCJMVSUKXLM-RWPYVKSISA-N 401.594 6.642 0 1 HKAF CC(C)C[C@@H](NC(=O)OCc1ccccc1)[P@@](=O)(Oc1ccccc1)C(C)(C)C 1911573219 IMUVVYBDLHYALX-KCWXNJEJSA-N 417.486 6.441 0 1 HKAF COc1cc2cc3c(c(O)c2c(O)c1CC=C(C)CCC=C(C)C)C(=O)C[C@@](C)(O)C3 2356573582 SVQACLMZZRRXPC-SANMLTNESA-N 424.537 5.375 0 1 HKAF CO[C@@H]1OCC2=CC[C@@H]3[C@](C)(CC[C@H]4[C@]5(CO)CCCC(C)(C)[C@H]5CC[C@]34C)[C@@H]21 2356759202 QZOGSLSUTNSYEO-QLVOOXGZSA-N 402.619 5.573 0 1 HKAF CC(=O)c1ccc(Nc2nc([C@H](N)Cc3ccc(C(F)(F)F)cc3)cs2)cc1 61905077 FJGRLWVERZYISL-QGZVFWFLSA-N 405.445 5.351 0 3 HKAF CC(C)CNC(=O)/C=C/C=C/CCCCCCCCCCc1ccc2c(c1)OCO2 13378979 GMPNJJVIJHGHTQ-PQSJUVMFSA-N 413.602 6.353 0 1 HKAF c1ccc2c(c1)c1cc[n+]2CCCC[n+]2ccc(c3ccccc32)NCCCCCN1 28346329 AICVSFQIONNJHX-UHFFFAOYSA-P 412.581 5.056 0 1 HKAF CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC 28956377 ZMRNNGNFCBYSLG-JTHBVZDNSA-N 418.541 5.212 0 1 HKAF C[C@H](Nc1cc(Nc2nccc(-c3ccc(C(=O)O)cc3)n2)ccn1)c1ccccc1 29126598 PAFLIZUAOHVXFH-INIZCTEOSA-N 411.465 5.154 0 1 HKAF Cc1ccc([C@H]2CC(=O)Oc3ccc4cc(Br)ccc4c32)cc1Cl 29135975 NSSVWDQNBWBCFZ-MRXNPFEDSA-N 401.687 6.005 0 1 HKAF NC(=O)c1ccc2nc(-c3ccc(Oc4cccc(C(F)(F)F)c4F)cc3)[nH]c2c1 34342081 QTYJXXIMENOKOA-UHFFFAOYSA-N 415.346 5.279 0 1 HKAF O=Cc1ccc(CO[C@]2(c3ccccc3)c3ccccc3C(=O)N2Cc2ccccc2)o1 35064200 YOERQPRARRQVCJ-HHHXNRCGSA-N 423.468 5.166 0 1 HKAF Fc1ccc(CCN2CCN3C[C@@H]2CC[C@H]3C(c2ccccc2)c2ccccc2)cc1 36271474 ASCHJKMZVWSSIF-SVBPBHIXSA-N 414.568 5.349 0 1 HKAF CC(C)c1cc2c(cc1NC(=O)c1ccccc1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2 40976806 GBBIVGHEAAOFIM-XSBVVTFOSA-N 419.565 6.157 0 1 HKAF CC(C)[C@@H]1CCSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1 43100641 IEXSJLCCIZOOLJ-SFHVURJKSA-N 410.612 5.880 0 1 HKAF O=C(Nc1ccccc1Cl)Nc1ncnc2c1sc(=S)n2-c1ccccc1 45300503 XTMDPBXDODVFNF-UHFFFAOYSA-N 413.915 5.509 0 1 HKAF CC1=C(c2nc3c(C)cccc3[nH]2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 45317138 JZWZOVRMFCFJOE-HXUWFJFHSA-N 410.308 5.821 0 1 HKAF CCCCCc1cc(NC(=O)c2ccncc2)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 45369718 MLDUENUKSLQMMZ-FGZHOGPDSA-N 418.581 6.678 0 1 HKAF CC[C@@H](C)Nc1ncc(-c2cc(-c3ccccc3Cl)nc(-c3ccccn3)n2)s1 64527960 STSWOANFFVWUHF-CQSZACIVSA-N 421.957 6.193 0 1 HKAF CCN(CC)C(=O)[C@@H]1Sc2ccccc2-c2c1c1ccc(OC)cc1n2CCF 68208469 FMJMFAYUNUEUSC-JOCHJYFZSA-N 412.530 5.302 0 1 HKAF Oc1ccccc1Sc1cc2ccccc2[n+](CCCCCC2CCCCC2)c1 71294878 FQXJTFSSNIYEHI-UHFFFAOYSA-O 406.615 7.125 0 1 HKAF COc1ccc([C@@H]2CC(=O)[C@@H](c3ccccc3)[C@H](c3ccc(OC)cc3)N2C#N)cc1 72172313 NIWJUDBSUARHMP-DMDYGQEQSA-N 412.489 5.026 0 1 HKAF O=C(NCCNCc1cc(-c2cncc3ccccc23)cs1)c1ccc(Cl)cc1 84690325 KTKAIEMQHYHZOG-UHFFFAOYSA-N 421.953 5.136 0 1 HKAF O=C(O)c1c(-c2ccc3ccccc3c2)oc2ccc(OCc3ccc(F)cc3)cc12 84758503 BKCBXBZUHPIIHT-UHFFFAOYSA-N 412.416 6.669 0 1 HKAF Cc1nc(Cc2ccc(Cl)cc2)sc1[C@H]1SCC(=O)N1c1ccc(F)cc1 95607137 ZXQCMOGXUMBLKB-HXUWFJFHSA-N 418.946 5.613 0 1 HKAF CCOC(=O)C1=C(C)NC(SCc2ccccc2)=N[C@@H]1c1cccc2ccccc12 101611139 ANJDHEWHFOTJGJ-HSZRJFAPSA-N 416.546 5.611 0 1 HKAF O=C(c1ccc2c(c1)c1c(n2CCCNCc2ccccc2)CCCC1)c1ccccn1 103298970 XVFYKTWKXQJQMG-UHFFFAOYSA-N 423.560 5.326 0 1 HKAF CCOc1ccccc1[C@@H]1C2=C(O)CCCC2=Nc2nc(-c3cccc(Cl)c3)nn21 103541868 KDMGGLMVUPOJTJ-OAQYLSRUSA-N 420.900 5.669 0 1 HKAF CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc(C)o2)C2=C(O)CC(C)(C)CC2=N1 104097073 LOPURPLPWSVZNF-QHCPKHFHSA-N 411.542 6.298 0 1 HKAF Cc1nc(N[C@@H](C)c2cncc(-c3cnn(C)c3)c2)cc(-c2ccc(Cl)c(F)c2)n1 141851837 CJAQSEVUOYYISN-ZDUSSCGKSA-N 422.895 5.213 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@]5(CCC(=O)O5)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 141920264 HXUJPLQVDFWGRC-VPYIEQDLSA-N 405.582 6.193 0 1 HKAF CC(C)CNC(=O)/C=C\C=C/CCCCCCCC/C=C\c1ccc2c(c1)OCO2 147858610 DRMOIHOBUYFDKF-PHVBYUPOSA-N 411.586 6.434 0 1 HKAF C[C@H](CCCCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 231928560 ISELACRIJKHUTE-BJLOMENOSA-N 420.634 5.258 0 1 HKAF CCCCOc1cc2nc(C3CCC(CCCC)CC3)[nH]c2cc1Br 586888388 ITJKGNDALCZFCM-UHFFFAOYSA-N 407.396 6.968 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(Cl)ncc(C)c2[nH]1 586981545 QKIMBRKWALVAGM-UHFFFAOYSA-N 401.695 5.448 0 1 HKAF O=C(O)c1cccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 586998317 IYQHHQSORAVLLR-PKNBQFBNSA-N 409.239 5.454 0 1 HKAF COc1cc(/C=C/c2nc3cccc(C(=O)O)c3[nH]2)cc(Cl)c1OCC(C)C 587046460 GTTXCNZSJQWVJT-BQYQJAHWSA-N 400.862 5.128 0 1 HKAF CCCCCOc1cc2nc([C@@H](O)c3ccccc3Cl)[nH]c2cc1Br 587058600 HKGLUOVHGVYUNQ-SFHVURJKSA-N 423.738 5.630 0 1 HKAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cc(Br)cnc3[nH]2)c1 587092689 FRDVWOMABFGLPR-UHFFFAOYSA-N 410.115 5.425 0 1 HKAF CCOC(=O)c1[nH]c2c(c1C)-c1nc3cccc4c3c(c1CC2)-c1ccccc1C4=O 587107779 ULEUEWYHLDKBOI-UHFFFAOYSA-N 408.457 5.025 0 1 HKAF Cc1c(Br)ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 587166440 CUECKFOGPHXABD-INIZCTEOSA-N 417.282 5.142 0 1 HKAF Cc1cc(C)cc(-c2nc3cccc4c3c(c2CCC(=O)O)-c2ccccc2C4=O)c1 587207738 WYFSVWANYGPLMF-UHFFFAOYSA-N 407.469 5.747 0 1 HKAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc4ccccc4cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587239360 JPBHYDNXMSAUFQ-AUBMYDRESA-N 421.541 5.271 0 1 HKAF C[C@@]1(c2c[nH]c3cc(Cl)ccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326793 DCBARDMHUHNHJT-VWNXMTODSA-N 421.855 5.940 0 1 HKAF C[C@@]1(c2ccc(C(F)(F)F)nc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333437 VZNOCPBKAXDXPT-CTNGQTDRSA-N 417.358 5.219 0 1 HKAF CC[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344137 FVNVFOMFCQFUGL-ILBGXUMGSA-N 401.437 5.677 0 1 HKAF COc1cccc(-c2cc([C@H](CC(C)C)CN(C)C)nc3c2oc2ccccc23)c1 587359192 FAYUGQAVFXZHBC-LJQANCHMSA-N 402.538 6.348 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccccc3Br)cc1)O2 587375002 AZAXSITYFSMUCN-NRFANRHFSA-N 408.295 5.713 0 1 HKAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cccs1 587412183 HSJJIDFAARTMAG-NRFANRHFSA-N 409.507 5.323 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccc(-c4ccccc4)c1)[C@@H](C2)C3=O 587445857 OYHUJMLZNYODMI-SVEHJYQDSA-N 418.492 6.053 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(C)cc4C)nc4sccn14)[C@@H](C2)C3=O 587449657 CEDPCCNNSSZCGU-GAJHUEQPSA-N 416.502 5.177 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)/C(=C/c2ccccc2)Oc2cc(O)ccc21 587491701 PDGHHBHJKCAXJB-ZFWDJNJRSA-N 414.457 5.345 0 1 HKAF O=C1C[C@H](c2ccc(OCc3ccc(F)cc3)cc2)Oc2c1ccc1c2CCCC1 587509981 TULXALZXDZTNKN-RUZDIDTESA-N 402.465 5.990 0 1 HKAF Cc1nc2ccc(-c3ccccc3)cn2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587515744 QMTSYTLSYUYEFD-DEOSSOPVSA-N 408.501 5.895 0 1 HKAF Cc1c(Cl)ccc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[nH]c12 587544548 FCGDIRSUJFYJPN-WMZHIEFXSA-N 405.837 5.538 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(CCC(F)(F)F)c1 587550685 WDUZDFGGKINPEC-KNQAVFIVSA-N 414.379 5.590 0 1 HKAF Cc1cc(Cl)c2c(c1)[C@]1(CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551745 JEIALXHNUOEOGK-RDPSFJRHSA-N 422.864 5.384 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(F)c2)s1 587568171 DGGIWXAEAPSXMJ-QPPBQGQZSA-N 418.445 5.963 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1Cc1ccccc1F 587570322 VHWFTIWALJJGCN-RDGATRHJSA-N 415.420 5.084 0 1 HKAF Cc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587579137 SRIDPMPKDKXQOY-ZEQKJWHPSA-N 411.457 5.503 0 1 HKAF Cc1cccc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)c1C 587581944 JTXMGBFKIZHYDU-HSZRJFAPSA-N 415.489 5.010 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(-c3cccc(F)c3)c2c1 587643391 TYPAGPOHOUCIQA-AWEZNQCLSA-N 412.335 8.461 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2cc(Cl)ccc2Cl)N1 587691278 DRSMNNMHDJPVMW-MLCYQJTMSA-N 417.149 5.887 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)cc2Cl)N1 587691694 CYDOTRJIJNYWEO-VVVCHXIZSA-N 403.122 5.693 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3ccc(Cl)cc3)c2)N1 587693396 DPGZDKHCFMAHCJ-JEOXALJRSA-N 420.713 5.051 0 1 HKAF Cc1ccc2nc(Cl)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587707780 WZGHGUAUQITGGU-WLRWDXFRSA-N 419.725 5.722 0 1 HKAF Cc1ccc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc2c1 587708482 XZWHKQPREVFQIB-WLRWDXFRSA-N 419.725 5.722 0 1 HKAF Cc1ccc(OC(F)F)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587721625 XACQNCATTVQEGE-NSPYISDASA-N 414.265 5.296 0 1 HKAF CCCOc1c(C)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587795077 QGJUWSRTFRMFSA-JLTOFOAXSA-N 406.339 5.617 0 1 HKAF CCc1ccc(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587795278 OBANQTZUFSFJJO-LAJNKCICSA-N 414.322 5.164 0 1 HKAF O=C1N(Cc2ccccc2)c2ccc(Cl)cc2[C@@]12Nc1ccccc1-n1cccc12 653691226 JYUCXUVFSADPEI-VWLOTQADSA-N 411.892 5.347 0 1 HKAF Cc1ccc(C(=O)N2N=C(c3cc4ccccc4oc3=O)C[C@H]2c2ccccc2)cc1 653743762 MTODFGJEWYRAJL-QHCPKHFHSA-N 408.457 5.093 0 1 HKAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@](c3ccsc3)(C3CCCCC3)N12 962659014 FCXUVSSJLKCCRG-JWQCQUIFSA-N 420.578 5.219 0 1 HKAF COc1c(Cl)ccc([C@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)c1F 962697874 GSYYUOPWNWSIQN-ZSEKCTLFSA-N 409.929 5.254 0 1 HKAF Fc1cccc2c1[C@@H](c1cnn(Cc3ccc(C(F)(F)F)cc3)c1)N1CCC[C@@H]1C2 963114575 VTKZWNWZYQQLSJ-DENIHFKCSA-N 415.434 5.199 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCCCC(=O)O)c1ccc(C(C)C)cc1 963256550 DPAZPDKGZKDIKI-JIPXPUAJSA-N 407.598 6.355 0 1 HKAF O=C(O)CCCNCc1cc2cccc(-c3ccc(-c4ccccc4)cc3)c2s1 1772615162 UVRRDWQINLOLQQ-UHFFFAOYSA-N 401.531 6.190 0 1 HKAF CC[C@H](C)CC(=O)OCC[C@@H](C)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O 1857534501 MGQFEMTUZLJHRZ-XOZDTIMBSA-N 408.667 6.766 0 1 HKAF CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](c3ccsc3)Nc3c(ccc4c3CCCC4)[C@@H]21 1857556288 ATUTZHATDPRXMJ-UNWVZKJWSA-N 424.610 6.482 0 1 HKAF CC1=C[C@H](CNCc2cccnc2)[C@H](C(C)C)C[C@@H]1Cc1nc2cccc(C)c2[nH]1 2356287011 VTQNUZCDPAOAKQ-ZLNRFVROSA-N 402.586 5.453 0 1 HKAF CC(C)=C(C)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356409494 KPIRFXVTLHBVFL-QLZKPUITSA-N 412.702 7.945 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@@]4(C)C=C[C@@]3(CC[C@@H]2[C@]1(C)C(=O)OC)C4 2356467410 PJWZGQUXXYMDML-OCUOUGKISA-N 412.570 5.537 0 1 HKAF CC(=O)N[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356526976 RBBVXROQBNFDAF-MDRNORMOSA-N 401.591 5.022 0 1 HKAF CC(=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@H](C)C(C)C 2356737371 NWPUQBNUEHLQTQ-GALOUQHOSA-N 414.718 7.881 0 1 HKAF N[C@H](c1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1)c1ccccc1Cl 61904731 YGBNDFUOOIXMCF-NRFANRHFSA-N 419.937 5.819 0 3 HKAF CCOC(=O)N(C)c1c(CC)nc2c(OCc3ccc(C(F)(F)F)cc3)cccn12 61906021 YYFFNTVAJZPLSQ-UHFFFAOYSA-N 421.419 5.087 0 3 HKAF CCOC(=O)c1cnc2c(OC)cccc2c1Nc1cc(C)c(Cl)cc1OC 4562953 MTUDSHVYUSFXAN-UHFFFAOYSA-N 400.862 5.134 0 1 HKAF O=C(Nc1cccnc1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 6783286 OCHGENKYUUTMMX-VXKWHMMOSA-N 417.534 5.005 0 1 HKAF CC[C@]1(c2ccc(COc3cccnc3)cc2)Oc2ccccc2-n2cccc2C1=O 13675353 FLQQONTUUBUFGJ-AREMUKBSSA-N 410.473 5.332 0 1 HKAF O=C(N[C@H](Cc1ccc(O)cc1)c1ccccc1)C(c1ccccc1)c1ccccc1 13741243 IODVRLYNAUHWGQ-AREMUKBSSA-N 407.513 5.624 0 1 HKAF CCCCc1ccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)cc1 13835227 KCEHJPNVZSXZEH-MJXUZWQSSA-N 418.621 6.565 0 1 HKAF Cc1ccc(N2Cc3c(nc(C)c(CN)c3-c3ccc(Cl)cc3Cl)C2=O)cc1 34806311 CTVCNKIVQXSUSH-UHFFFAOYSA-N 412.320 5.291 0 1 HKAF Fc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCCN2CCCC2)cc1 35817847 WBDLFFDMNWEVTM-UHFFFAOYSA-N 416.500 5.091 0 1 HKAF CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC1CCN(Cc3c(F)c(F)c(F)c(F)c3F)CC1)C2 40894560 GXFSJNHTOIJFPZ-SIMDFCGZSA-N 416.478 5.151 0 1 HKAF Cc1cc(N[C@@H](CC(C)C)C(=O)Nc2ccccc2)nc(NCC2CCCCC2)n1 45228529 QYLQNTUPKBILJB-NRFANRHFSA-N 409.578 5.243 0 1 HKAF CCC(C)(C)Cc1c[nH]c(CCc2ccc3c(c2)CN(C)C(=O)c2ccccc2-3)n1 49054104 XYENAQYTNXESOG-UHFFFAOYSA-N 401.554 5.426 0 1 HKAF Cc1ccc(N[C@H](C(=O)CCc2ccncc2)c2ccccc2C(C)C)c(Cl)c1 52594964 AEJQSVDZOIAELQ-VWLOTQADSA-N 406.957 6.522 0 1 HKAF CCN(CC)c1cc2[nH]c(C3CCCCC3)nc2cc1NC(=O)c1ccc(OC)cc1 66112749 SOFUJZVVQNHPTL-UHFFFAOYSA-N 420.557 5.718 0 1 HKAF FC(F)(F)Oc1ccc(-c2nc(CNCc3ccc(C(F)(F)F)cc3)co2)cc1 72183880 PUHFVSLIENXOQC-UHFFFAOYSA-N 416.321 5.549 0 1 HKAF Cc1ccc2nc(-c3ccc(OCc4ccccc4)cc3)c(NC3CCCCC3)n2c1 73295919 YZXBPEQVXMNLQM-UHFFFAOYSA-N 411.549 6.633 0 1 HKAF OC1=C2C(=Nc3nc(SCc4ccccc4)nc(O)c3[C@@H]2c2cccs2)CCC1 100704924 MYPJFGMZDQXSLE-GOSISDBHSA-N 421.547 5.750 0 1 HKAF CC(C)[C@H](N)CN1[C@@H]2CC[C@@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100847439 FJEFLHYWSUMBKN-CQOQZXRMSA-N 414.540 5.050 0 1 HKAF N=C(NCC1CCCCC1)c1c(O)nsc1Nc1ccc(Cc2ccccc2)cc1 101101198 SJQONIVHAMJHET-UHFFFAOYSA-N 420.582 5.678 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\C[C@H](O)C[C@@H](O)\C3=C\F)CCC[C@@]21C 102193714 SDBKJGWYBRQPAF-GIYOTKTESA-N 418.637 6.887 0 1 HKAF CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc3ccccc23)C2=C(O)CCCC2=N1 104048234 HXCUSPJMDLZQJM-AREMUKBSSA-N 423.512 6.391 0 1 HKAF CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(Cl)c2)C2=C(O)CC(C)(C)CC2=N1 104071361 ZJJHIPLDLCAUTO-OAQYLSRUSA-N 413.945 6.270 0 1 HKAF Cc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1[nH]c2cnccc2c1C)C(F)(F)F 113501860 JTNNQTQMGYMRGO-NRFANRHFSA-N 408.439 5.523 0 1 HKAF CN1CCN(C(=O)c2cccnc2Oc2cc(Cl)ccc2Cl)c2ccccc21 118661048 YDITUEFFFVJKOC-UHFFFAOYSA-N 414.292 5.277 0 1 HKAF CC(C)=CCN1C(=O)[C@@]2(O[C@H](C)CC3=CCC[C@H]32)c2c(Br)cccc21 195469497 WNIVGPRDFFPVKC-NVAPDCRFSA-N 402.332 5.102 0 1 HKAF O=C(O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCCC[C@@H]3C(F)(F)F)nc2c1 205438056 ZETQOGVBIWRSET-QGZVFWFLSA-N 419.378 5.055 0 1 HKAF CC(=O)O[C@@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 253674307 HMMXRBXGPAQIDO-JGWHWLOXSA-N 403.566 5.524 0 1 HKAF CCC/C=C/C[C@@H]1C/C=C/C=C(C)/C=C/C=C\[C@@H](O)[C@@H](O)/C=C(C)/C=C/C=C/C(=O)N1 257808489 ALYLZDHKQZUVDF-BBGHMOKVSA-N 423.597 5.017 0 1 HKAF in-vivo C[C@H]1CCO[C@H](c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)C1 586917589 SNCLXGAQABRLCL-SJCJKPOMSA-N 403.404 5.322 0 1 HKAF COc1cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cc(Cl)c1OCC(C)C 587044858 UTVFKAVXEZPKRS-UHFFFAOYSA-N 400.693 5.629 0 1 HKAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(C)cc(F)c3[nH]2)c1 587049568 RAXPYYMRBIZXCJ-FPLPWBNLSA-N 414.868 5.054 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 587073560 GVWQIOLJQFWEOV-UHFFFAOYSA-N 402.803 6.757 0 1 HKAF COC(=O)[C@]1(c2ccccc2)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587107399 SCXQZDLHNKCORF-MUUNZHRXSA-N 419.480 5.046 0 1 HKAF Nc1ccc(-c2ccc3nc(-c4cc(Br)c(F)cc4F)[nH]c3c2)cc1N 587136921 YXKJFZHIHPHPMF-UHFFFAOYSA-N 415.241 5.102 0 1 HKAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587162467 CQPYKWJINWCDRY-HNNXBMFYSA-N 416.216 5.134 0 1 HKAF FC(F)(F)c1nc(Cl)[nH]c2nc(CN(Cc3ccccc3)c3ccccc3)nc1-2 587195682 HEHXUIWBHGBDLW-UHFFFAOYSA-N 417.822 5.184 0 1 HKAF C[C@@H]1CCCC[C@H]1N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587342310 DHHKBZQJFGHPDD-BSDZUQITSA-N 423.528 5.304 0 1 HKAF COc1cccc(-c2cc(-c3cnc(Cl)c(Cl)c3)nc3c2oc2ccccc23)c1 587360866 RTKDXKUIWGPFIO-UHFFFAOYSA-N 421.283 7.025 0 1 HKAF C[C@@]1(c2cc3c(s2)CCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587374702 PRIMULBHEAULFL-UPVQGACJSA-N 408.494 5.746 0 1 HKAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc(F)cc1 587383737 FVJWHMHHLXWTGQ-JOCHJYFZSA-N 407.441 5.010 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587424236 YDESUTADCIUXMD-CVDCTZTESA-N 410.391 5.870 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(NC(=O)OC(C)(C)C)ccc31)CC2=O 587469536 JAYIIXCDEAZGBI-VWLOTQADSA-N 423.509 5.499 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)([C@H]1CCOC(C)(C)C1)CC2=O 587476539 CQYINMQRMBQCGI-SIBVEZHUSA-N 408.538 5.497 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccc3cc(OC)ccc3c1)CC2=O 587480201 NWMWXBVEKBRLOG-SANMLTNESA-N 404.506 5.863 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3csc(C)n3)cc1)CC2=O 587492977 DQRMBNFEJANSPZ-QFIPXVFZSA-N 409.507 5.395 0 1 HKAF CCOC(=O)C[C@]1(Cc2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587510246 XXUBOJQCIBFPQL-DEOSSOPVSA-N 412.913 5.119 0 1 HKAF CCOC(=O)[C@@H]1C[C@@H](c2ccccc2)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522116 FYBPAQLCRYYGPJ-XAJLNHFYSA-N 418.533 5.416 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnc2ccc(Cl)cc12 587554255 WODLKJYINDBFEQ-OFNKIYASSA-N 403.821 5.297 0 1 HKAF C[C@@]1(c2c(F)cc(Cl)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555173 FRFDIZHGXQRJLR-NQIIRXRSSA-N 402.780 5.201 0 1 HKAF Cc1cc(C)cc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)c1 587581689 JAGXGNDPWLHHQR-HSZRJFAPSA-N 415.489 5.010 0 1 HKAF CCOC(OCC)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587594490 LNVJEJYPQFBETO-URXFXBBRSA-N 420.461 5.167 0 1 HKAF Cc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601466 GJRKOWJZUFOESW-IGKIAQTJSA-N 408.453 5.606 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(/C=C\c2ccccc2)cc1 587603727 RFDWTXVAHJUNHZ-WVNDORFOSA-N 420.464 6.266 0 1 HKAF O=C(c1ccc(Br)cc1)c1c(-c2ccccc2)[nH]c2c(C(=O)O)cccc12 587636955 QRAVMRLRFHSUNM-UHFFFAOYSA-N 420.262 5.527 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccc(OC(F)F)cc3)c2c1 587643967 ZIJHCTKNMDOICE-LBPRGKRZSA-N 401.409 5.300 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(C(C)(C)C)N1 587698034 HIOXNDPAPUBPIO-MPBGBICISA-N 410.758 6.066 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(N)cc3)o2)N1 587746279 LZHOFSZDXAWCDF-GIPWTMENSA-N 401.279 5.054 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cc(N(C)C)ccc3c2)N1 587755833 POUBQZPFDGYRCF-DMZKTXOQSA-N 413.334 5.431 0 1 HKAF O=C([C@@H]1CCCN(Cc2cccc(Cl)c2)C1)n1nc2cc1Oc1ccc(F)cc1-2 587874400 YWUKVEUENKUJCI-OAHLLOKOSA-N 411.864 5.001 0 1 HKAF COc1ccc(C[C@H](C)c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1OC 587926128 IPRTXLWULHGSEG-KRWDZBQOSA-N 402.494 5.505 0 1 HKAF Cn1cccc1CN1CCc2sccc2[C@]12CCc1ccc(-c3ccccc3)cc12 962374164 OJHXGGABIVVICL-MHZLTWQESA-N 410.586 6.002 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@]3(c1ccsc1)c1cccc(Cl)c1 963043721 AAUHXEYMFIMOAH-QHCPKHFHSA-N 406.938 5.396 0 1 HKAF Cc1ccc(C(=O)N([C@H](C)c2cccc(Cl)c2)[C@@H](C(N)=O)c2ccccc2)cc1 1772656936 KYASWEHGQISFSF-VGOFRKELSA-N 406.913 5.078 0 1 HKAF COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(-c4csc[n+]4C)c(C(C)C)cc3CC[C@H]21 1857539754 FBAHZUTXKGFICS-QLBJFCOMSA-N 412.619 5.546 0 1 HKAF O=C(CCSc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1)Nc1ccccc1 1857580286 UKAMIACKCPFXEY-FMIVXFBMSA-N 400.507 5.249 0 1 HKAF c1ccc(CC2CCN(C[C@@H]3CS[C@@]4(CCCCc5ccccc54)S3)CC2)cc1 1911578207 AGCJIQWBHFFGSG-RSXGOPAZSA-N 423.691 6.369 0 1 HKAF O=C(Nc1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)O[C@H]1CN2CCC1CC2 1911581218 LVPIEYVPDBYBIT-IBGZPJMESA-N 409.288 5.442 0 1 HKAF CC(C)=CCCC(C)=CCC[C@@](C)(O)[C@@H]1Cc2c(O)c(C=O)c(C)c(Cl)c2O1 2356332159 AKZMNMUPGWZYPW-WMZHIEFXSA-N 406.950 5.694 0 1 HKAF CC=C(CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356453649 GBBBJSKVBYJMBG-SJQQJJQDSA-N 412.702 7.801 0 1 HKAF CO[C@@H]1CC[C@]2(C)C(CC[C@H](C)CCOC(C)=O)=C(C)[C@H](OC(C)=O)C[C@@H]2C1(C)C 2356756429 DXDXHGPOYKHGNN-XUBVFZJTSA-N 422.606 5.465 0 1 HKAF CCCC=C1OC(=O)C2=C[C@H]3CC[C@@]12[C@@H]1C2=C4C(=C(CCC)CC[C@H]4C[C@H]31)OC2=O 2356776265 VPEHIGFAAWYYPW-CNWNIRCESA-N 406.522 5.517 0 1 HKAF Cc1ccc(Cc2c(-c3ccc(F)cc3)nc3c(C)cc(Br)cn23)cc1 72138479 IENYAODDBHANCX-UHFFFAOYSA-N 409.302 6.111 0 3 HKAF CCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 13553398 RPPSISNKOJBLTQ-UHFFFAOYSA-N 403.357 5.877 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)CCCCCCCCCCO 13600120 ROLYUIWFPJVSNZ-UHFFFAOYSA-N 403.607 6.334 0 1 HKAF CC1=CC(=O)O[C@@H](CSc2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)[nH]2)C1 13730531 CCNZJEPSZAHBRM-HXUWFJFHSA-N 404.535 5.714 0 1 HKAF CCCN(CCCOc1cccc(Cl)c1)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 13741765 KTENZVQFGHICMF-NRFANRHFSA-N 424.972 5.672 0 1 HKAF COc1ccc(-c2ccc(C(=O)O)c(C)c2)cc1OCCCCCc1ccccc1 13745217 YPFYVOZSQYRRTM-UHFFFAOYSA-N 404.506 6.161 0 1 HKAF Clc1ccc(Cn2c(Br)nc3cc(Cl)c(Cl)cc32)cc1Cl 13779318 NTFZKJRGUGBMLN-UHFFFAOYSA-N 424.940 6.461 0 1 HKAF c1ccc(CCCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1 14947262 NNBVWWOCZRJNRI-UHFFFAOYSA-N 414.637 7.889 0 1 HKAF CCCCN1C(=O)N(c2ccc(OCC)cc2)[C@H]2N(CCCC)[C@@H]1C(C)(C)C2(C)C 17022044 LMMIGDVIKSSQIE-FCHUYYIVSA-N 415.622 5.948 0 1 HKAF CC(C)c1nc(-c2ncn3c2CN=C(c2ccccc2Cl)c2ccccc2-3)no1 26380416 UUXFMMLHDRGKCE-UHFFFAOYSA-N 403.873 5.050 0 1 HKAF C[C@H]1[C@@H]2Cc3ccc(I)cc3[C@@]1(C)CCN2Cc1ccccc1 26751616 KAICFMDUDWIURZ-JHVJFLLYSA-N 417.334 5.016 0 1 HKAF C[C@H]1CC(=O)[C@](C)(CCC(=O)O)[C@@H]2CC[C@]3(C)[C@H]([C@H](C)CCC(=O)O)CC[C@@H]3[C@@H]12 27517843 VKFJUKMHHGHLBA-KYJJKUOISA-N 406.563 5.026 0 1 HKAF Cc1nnc2n1-c1ccccc1C(c1ccccc1F)=N[C@@H]2Cc1c[nH]c2ccccc12 28240182 VKMJGKFQKLVODR-HSZRJFAPSA-N 421.479 5.331 0 1 HKAF O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCC(Oc2ccc(F)cc2)CC1 36330773 GRVHWWSPQFJFDX-UHFFFAOYSA-N 412.383 5.236 0 1 HKAF Cn1ccc2cc(-c3ccc4ncnc(NCc5ccc6c(c5)OCO6)c4c3)ccc21 36380618 XOBLBIBQGGRWJA-UHFFFAOYSA-N 408.461 5.129 0 1 HKAF Fc1ccc(-c2noc(C3CCN(c4cnc5ccccc5c4)CC3)n2)c(Cl)c1 40918680 YKKVBHCDPMQIEG-UHFFFAOYSA-N 408.864 5.461 0 1 HKAF CCCCCCSc1cc(Cl)c(C(=O)CCN2CCOCC2)c(Cl)c1 43059570 QEIBGAYGXNALFP-UHFFFAOYSA-N 404.403 5.571 0 1 HKAF O[C@@H](c1cccnc1-c1cccc(C(F)(F)F)c1)C(c1cccnc1)c1cccnc1 43153045 PSPZRRNAMNGIHJ-QHCPKHFHSA-N 421.422 5.423 0 1 HKAF CCC[C@@]1(c2ccc(OC)cc2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F 64361547 FLRFYARWOIFRDJ-LJQANCHMSA-N 412.839 5.802 0 1 HKAF COc1ccccc1CNc1ncc(-c2nc(C)c(C)s2)c(-c2ccc(F)cc2)n1 82164928 WPISHWAXAYSBRU-UHFFFAOYSA-N 420.513 5.644 0 1 HKAF O=c1c(Oc2ccc3occc3c2)c(Cl)cnn1Cc1cccc2ccccc12 95593703 CHMDFROTHGRHIN-UHFFFAOYSA-N 402.837 5.637 0 1 HKAF Cc1nc2sc(C(=O)NCc3ccc(C(F)(F)F)cc3)c(N)c2c(C)c1Cl 95594467 REDRCGPSFXIFOU-UHFFFAOYSA-N 413.852 5.098 0 1 HKAF CCCCCc1cc(=O)oc2c(CC=C(C)C)c(O)c(C(=O)[C@@H](C)CC)c(O)c12 96086294 BZYSFJMTCUKKOB-HNNXBMFYSA-N 400.515 5.674 0 1 HKAF CCCN(Cc1ccccc1)c1ccc(C(=O)N2CCc3ccc(O)cc3C2)cc1 103300993 RLUADIRTEXJSML-UHFFFAOYSA-N 400.522 5.007 0 1 HKAF CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 104689717 QCSYFSPVSIIZDN-NRFANRHFSA-N 407.901 5.490 0 1 HKAF CN1[C@@H]2CC[C@@H]1CC(O[C@@H](c1ccc(F)cc1)c1cccc(Br)c1)C2 136955737 MTATUXXQZDSZDW-SBHAEUEKSA-N 404.323 5.319 0 1 HKAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2ccccc2)c1 167410944 FWSUADRGLVSKNN-GCJKJVERSA-N 401.506 5.481 0 1 HKAF CC(C)c1ccccc1-c1nc2c(c(NCc3ccc(-c4cccnc4)cc3)n1)CCC2 169303180 MYVXJHJCBXQWBE-UHFFFAOYSA-N 420.560 6.430 0 1 HKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@H](CCO)[C@H]2CC(=O)O 169346901 WRWOMSRWLFSAGX-QZTJIDSGSA-N 406.563 5.368 0 1 HKAF C/C=C(\C)c1cc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc([C@H](C)CC)c1O 169686962 IEDSYUOFZVSLKU-DYFCPDHGSA-N 405.542 5.870 0 1 HKAF CC(C)(C)c1cc2cc(Nc3nccc(-c4cc(-c5cc[nH]c5)ccn4)n3)ccc2[nH]1 169703388 TYHBZVGDVMRVCM-UHFFFAOYSA-N 408.509 6.056 0 1 HKAF COC(=O)C1=C(C)N=C2C[C@H](C(C)C)CC(=O)[C@H]2[C@@H]1c1ccc(-c2ccccc2)cc1 169728318 RTIUJDYMWVKLOA-BYXVTNLJSA-N 415.533 5.590 0 1 HKAF O=C(O)COc1ccc(F)c(NCc2cc(-c3ccc(F)c(F)c3)ccc2F)c1F 218868009 YJKGGSLBNBWFLF-UHFFFAOYSA-N 423.337 5.125 0 1 HKAF C/C=C(\C)[C@H](O)[C@@H](C)/C=C(/C)C/C=C\C(C)=C/Cc1nc(OC)c(OC)c(O)c1C 238758991 ZQLBCAUKNYXILZ-DWLAFJHUSA-N 415.574 5.457 0 1 HKAF CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C[C@H]2[C@H](OC(=O)C=C(C)C)CC[C@H](C)[C@@]12C 238771158 OJCKWSZQHKHHHR-KLCOADPKSA-N 414.542 5.625 0 1 HKAF CC(C)(C)c1cccc(CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 299832415 GGAICVJFVZXCLX-UHFFFAOYSA-N 413.605 6.132 0 1 HKAF CSc1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586985176 RWGRSZDVYGJGFO-GOSISDBHSA-N 402.361 5.233 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(OC(F)(F)F)cc4)nc13)-c1ccccc1C2=O 586994665 BDAYCQQPSCZSQV-UHFFFAOYSA-N 405.375 6.320 0 1 HKAF Oc1c(Br)ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 587063095 OFNQQKRRBKRCNW-UHFFFAOYSA-N 413.702 5.942 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 587070168 GNHVSGSUTSSPAU-RGHJNJDOSA-N 419.283 6.073 0 1 HKAF CC(C)(C)c1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2n1 587110618 CRDDAJUZLGYROM-UHFFFAOYSA-N 415.381 6.078 0 1 HKAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(CCO)cc2[nH]1 587121799 LMSHEFFDQBRBOK-UHFFFAOYSA-N 419.428 5.095 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Br)cnc3[nH]2)cc1F 587148520 BKLCFKBROFTYCC-KRWDZBQOSA-N 416.225 5.167 0 1 HKAF Cn1c(C(F)(F)F)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332567 STIRFWSDEDQRHV-CTNGQTDRSA-N 419.374 5.163 0 1 HKAF Cn1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587342684 PBCAFXUVQWFPEO-NOZRDPDXSA-N 401.437 5.297 0 1 HKAF C[C@]1(c2cc(-c3ccccc3)no2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348173 QQQDBVWTVFBCFP-ILBGXUMGSA-N 415.420 5.461 0 1 HKAF Cc1cc(C)c2c(c1)[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357672 NXBVQCYFKCQDLR-RDGATRHJSA-N 404.437 5.185 0 1 HKAF Oc1nc(O)c2cc3c(nc2n1)-c1ccccc1[C@H](c1ccc(Cl)c(Cl)c1)C3 587369066 SUOYULLCSZGJBZ-AWEZNQCLSA-N 410.260 5.098 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(OC)c(Cl)c3)o1)CC2=O 587461389 KCAVKAPXAVWNTN-JOCHJYFZSA-N 412.869 5.973 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COCC(F)(F)F)c1)CC2=O 587463381 YHMDFVLUQAFZEY-HXUWFJFHSA-N 424.415 5.139 0 1 HKAF CCOC(COc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)OCC 587520488 CVUAQIQQTKXYFB-QHCPKHFHSA-N 410.510 5.050 0 1 HKAF O=C(O)CC[C@@]1(c2ccccc2)CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587530399 UILOHRKMTJLSJW-SXOMAYOGSA-N 418.533 5.646 0 1 HKAF CN(C)c1nc(-c2ccccc2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587536764 ZTOCLDZTDSOMSR-HXUWFJFHSA-N 404.535 5.461 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(-c3ccccc3)cc12 587605409 ZMNXXUGJDNYBQK-NAKRPHOHSA-N 420.464 5.863 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccsc2)cs1 587609869 ALDGCZYJRYDTGP-SIKLNZKXSA-N 406.484 5.885 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)c(F)c(F)c(F)c2F)N1 587720135 MRXFFASOAFTAIF-ZWBDZOEQSA-N 424.182 5.081 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC(F)(F)F)c2F)N1 587722229 RVRFQWMVSOZRHM-PWJLMRLQSA-N 422.191 5.250 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(NCc3ccccc3)CC2)N1 587743072 NORZSTCQGGKROF-MFPRGYPFSA-N 417.366 5.050 0 1 HKAF Cc1ccc(/C(=C\N(C)C)[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587756140 QBTAFAKXSKCGET-DUOZODBLSA-N 403.339 5.075 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)OC(C)(C)C)cc2)N1 587793369 NRMTYVUZUNVRBF-BUXKBTBVSA-N 420.322 5.167 0 1 HKAF CC(C)[C@@]1(COCc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587802704 UDILXBANSRPMED-QVKFZJNVSA-N 406.339 5.191 0 1 HKAF Cc1[nH]c2c(C)ccc(C)c2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587805973 UECKXTYLVVKWFA-GTJPDFRWSA-N 401.323 5.618 0 1 HKAF CC(C)[C@]1(c2cc3ccccc3o2)N[C@H](C)Cc2cc(Br)c(F)cc21 587830685 UBLGZLTVTBEONR-ASSNKEHSSA-N 402.307 5.768 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccsc3)cs2)N1 587850283 YIXPSICFAMDPCQ-MGNBDDOMSA-N 408.361 6.002 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc2ccccc12 587859508 XESWADKSKSZPTH-UHFFFAOYSA-N 411.288 6.097 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1ccc(C(F)(F)F)cc1 587870696 GQYDCXGNLGNFGI-UHFFFAOYSA-N 409.408 5.352 0 1 HKAF CCn1c(C[C@@H](C)C(=O)Nc2cccc3ccccc23)nnc1C1Cc2ccccc2C1 653725030 PWSUZERNRREPSY-GOSISDBHSA-N 424.548 5.151 0 1 HKAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]12CCCc1cccc(N)c12 961774160 GFJDDUXHZYJAMS-AREMUKBSSA-N 419.569 5.000 0 1 HKAF COc1ccc([C@@]2(c3ccc(C)cn3)c3ccsc3CCN2Cc2ccco2)cc1 962711032 SMLVTTQWHFDPBW-VWLOTQADSA-N 416.546 5.403 0 1 HKAF Cc1noc(C)c1COc1ccccc1[C@@H]1c2ccsc2CCN1Cc1ccco1 962714461 ZJSRIBAUQLPNFI-XMMPIXPASA-N 420.534 5.673 0 1 HKAF COc1cccc2cc3c(nc12)[C@H](c1ccc(OCCc2ccccc2)cc1)NCC3 963058810 RBEXIYXHQOXIAL-SANMLTNESA-N 410.517 5.100 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1cnc(Nc2ccccc2)s1)C(C)(C)C 963222684 BQEPCWBDYIUXDP-SIBVEZHUSA-N 419.638 6.833 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@H]2c1cccc(OCc2ccc(Cl)cc2)c1 963260488 XFQBJSNFUCSYLS-HSZRJFAPSA-N 414.332 5.816 0 1 HKAF Brc1ccc(COc2cccc(CN[C@H]3C[C@@H]3c3ccccc3)c2)cc1 1857773131 QOIFTGDEYMICMA-PKTZIBPZSA-N 408.339 5.674 0 1 HKAF CC(C)CC=C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@@]21C 2356419755 CEDAPFOMKGAKTI-FTLVODPJSA-N 400.647 6.137 0 1 HKAF CC(C)=CCCC(C)=CCC[C@]1(C)Oc2c(C=O)c(C)c(Cl)c(O)c2C[C@@H]1O 2356524511 HOTIAVDHASTISG-CVDCTZTESA-N 406.950 5.694 0 1 HKAF O=C(O)CCC=CC[C@@H](CCCCCC[C@H]1C=C(CO)CC1)Cc1ccc(O)cc1 2356633207 QAMRKKHMHVUAKC-FGZHOGPDSA-N 414.586 6.031 0 1 HKAF CC(C)CC[C@@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356675547 ZSNZJJYKGGJXRT-OSFLOOFPSA-N 418.662 5.330 0 1 HKAF CC(C)=CCCC(C)=C[C@H](O)CC(C)=CCC[C@@]1(C)C=Cc2cc(O)cc(C)c2O1 2356679513 BDPWTJZRRJMGSJ-IGKIAQTJSA-N 410.598 7.035 0 1 HKAF Cc1cc2nc(-c3ccco3)c(Cc3cccc(Cl)c3)n2c(C)c1Br 95566890 HSMPFAPYYNKVFR-UHFFFAOYSA-N 415.718 6.218 0 3 HKAF COC(=O)c1cc([C@H](c2ccccc2O)[C@@H]2CCCO2)n2cccc(C(C)(C)C)c12 201482566 VEKHOGXHVCKJSG-VXKWHMMOSA-N 407.510 5.040 0 3 HKAF Cc1nc(-c2ccc(NS(=O)(=O)c3ccc4c5c(cccc35)CC4)cc2)cs1 629240 WBLYMNMORKUJDQ-UHFFFAOYSA-N 406.532 5.171 0 1 HKAF COc1cc(OC)c2c(c1)[C@@H](CCCCCCCCCC(=O)CCC(C)=O)OC2=O 13367440 WRMILDYGWKMWBP-OAQYLSRUSA-N 418.530 5.365 0 1 HKAF biogenic Cc1ccc(NC(=O)c2sccc2Cl)c(C(=O)Nc2ccc(Cl)cc2)c1 13487509 XNJFYYHKBBYRHS-UHFFFAOYSA-N 405.306 5.868 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C(C(/C)=C\C(=O)O)\c2cccc(C(=O)O)c2)C(C)(C)CCC1 13897031 XKKDQOHDTASHCE-PAZAWXFKSA-N 420.549 6.828 0 1 HKAF in-vivo Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C=C2 14767678 BIXWVSLNTIFDQN-RXYILKCJSA-N 414.674 8.612 0 1 HKAF biogenic O=C(O)Cc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 26968562 MGROYOOFJHNERL-ILBGXUMGSA-N 417.480 5.180 0 1 HKAF CCN(c1cccc2ccccc12)[C@@H]1CCCc2nc(-c3ccccc3C)cc(OC)c21 29053799 JFOVPHALQDHNQN-HHHXNRCGSA-N 422.572 7.123 0 1 HKAF Cc1cc(O)cc2c1O[C@]1(C2)[C@@H](C)CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C 34427491 JTFQPSRKDMDRKT-YKHFGULXSA-N 412.614 6.024 0 1 HKAF O=c1ccc2c(-c3ccc(F)cc3F)nccc2n1-c1c(Cl)cccc1Cl 36988454 LEQIYANLBCTNDM-UHFFFAOYSA-N 403.215 5.638 0 1 HKAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H]1CO[P@](=O)(O)O1 40164591 AZRMIMGGEACCGU-KKFOGOCZSA-N 416.495 5.859 0 1 HKAF endogenous,in-man CC1=NN(C(=O)Nc2ccccc2Cl)C(C)=NN1C(=O)Nc1ccccc1Cl 40505359 LTEGCTFOVXWSRR-UHFFFAOYSA-N 419.272 5.042 0 1 HKAF Cc1cc(=O)c(-c2ccc(OCCSc3ccc(C(F)(F)F)cn3)cc2)c(C)[nH]1 45187445 CSTXGYDUZGXHNK-UHFFFAOYSA-N 420.456 5.244 0 1 HKAF CSc1ccc([C@H]2CC(c3cccc(Br)c3)=NN2c2ccccc2)cc1 49784432 WTAMQIHVJOLSOX-JOCHJYFZSA-N 423.379 6.527 0 1 HKAF c1cc2cccc3[nH]c(-c4ccc(-c5nc6cccc7cccc([nH]5)c76)cc4)nc(c1)c23 68587627 WYVBGQYQEPPKKE-UHFFFAOYSA-N 410.480 7.080 0 1 HKAF biogenic CNC(=O)c1cc(Oc2ccc3sc(Nc4ccc(C(C)C)cc4)nc3c2)ccn1 71340572 RMQLQVJFCNMQCX-UHFFFAOYSA-N 418.522 5.710 0 1 HKAF CC[C@H](C)Cn1c(-c2cccs2)nc2c(NCCc3cccc(F)c3)ncnc21 82179634 HDOLPVQWEXJLAM-HNNXBMFYSA-N 409.534 5.395 0 1 HKAF CC(C)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(C3CCCCC3)cc2)cs1 82191964 BGJOHHDVMBDDCC-QFIPXVFZSA-N 411.615 5.599 0 1 HKAF CCCCCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(=O)cc1C(C)(C)C 95554959 OWATUWQTDPKPDC-UHFFFAOYSA-N 412.618 5.282 0 1 HKAF NC(=S)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@H]1c1cccc2ccccc12 95583166 DURYAAKIQVDWGP-IBGZPJMESA-N 400.334 5.541 0 1 HKAF Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1 96564214 KTFWVLZDOMZQTF-UHFFFAOYSA-N 409.283 5.262 0 1 HKAF C[C@H]1[C@H]2Cc3ccc(Nc4ccc(C(F)(F)F)cc4)cc3[C@@]1(C)CCN2CC1CC1 100935454 CKJUZFCBVAZGEM-GHEQTVGYSA-N 414.515 6.383 0 1 HKAF Cc1cccc(CSc2nc3n(n2)[C@H](c2ccccc2F)C2=C(O)CCCC2=N3)c1 103894202 CIYBVPXOJQOPPU-OAQYLSRUSA-N 420.513 5.689 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2ccc(O)cc2)C[C@@H](c2ccccc2Cl)C1 103921254 DRTBHCPUZFTMKQ-CPJLOUKISA-N 416.908 6.675 0 1 HKAF CCCC(=O)N1CC[C@H]2CC[C@H]3[C@@H]4CC=C(n5ccnc5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 144173189 KNJZTCBLVJEUSD-VZDBEYJMSA-N 409.618 5.615 0 1 HKAF COc1cc(C)cc(OC)c1[C@H]1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1 167067242 OSHTYZKMLISKPH-QGZVFWFLSA-N 423.431 5.165 0 1 HKAF CC(C)NC[C@H](O)COc1c(C(C)(C)C)cc(-c2cccs2)cc1C(C)(C)C 169318972 QSBRSBDKMNKTQB-SFHVURJKSA-N 403.632 5.748 0 1 HKAF COC1(C)CCC2(CC1)NC(=O)C(c1cc(-c3ccc(Cl)cc3)ccc1C)=C2O 226112521 STNIRSWFNQJRBJ-UHFFFAOYSA-N 411.929 5.432 0 1 HKAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1O[C@H]1C[C@H]2CC[C@H]1C2 253688597 AOGQPQXZFOWMDY-PRXAMGSTSA-N 407.297 5.217 0 1 HKAF O=C(Nc1ccccc1F)Nc1cc2ncncc2cc1OCc1ccccc1Cl 299826262 GGPLETTVMPUWQV-UHFFFAOYSA-N 422.847 5.645 0 1 HKAF CSc1sc(-c2nc3ccc(C)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586919561 ATQVFDQHZWHIKC-UHFFFAOYSA-N 400.978 5.157 0 1 HKAF CC(=O)[C@H](C/C=C/c1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990710 FIKUAEAJYLSVHG-VQFGERMISA-N 419.480 5.928 0 1 HKAF CC(C)n1c(-c2nc3c(F)cc(F)cc3[nH]2)cc(Br)c1Br 587005140 OZKKJTDOSCWNIX-UHFFFAOYSA-N 419.067 5.416 0 1 HKAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cs1 587019820 WZTVKATYYUUDQH-UHFFFAOYSA-N 416.400 5.115 0 1 HKAF FC(F)(F)Oc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c1 587063187 HIADHZVOLIXJOW-UHFFFAOYSA-N 418.802 6.361 0 1 HKAF COC(=O)c1ccc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 587072767 WMHGTIIVQKMSMT-RSZMZCDYSA-N 415.320 6.022 0 1 HKAF FC(F)(F)c1nn(CCc2nc3cc(Cl)nc(Cl)c3[nH]2)c(C2CC2)c1Cl 587116596 IOOZDJYZICOTJX-UHFFFAOYSA-N 424.641 5.254 0 1 HKAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c(F)c2)c1 587138770 VFPLRLUTFXRLMG-UHFFFAOYSA-N 420.202 5.575 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cccc(Br)c3[nH]2)c1 587158097 JCAYYYHMGHMWSU-UHFFFAOYSA-N 411.274 5.731 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc(Br)ncc3[nH]2)c1 587159335 YWJVWIOZWBYLLA-UHFFFAOYSA-N 412.262 5.126 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 587194995 AMVAGBJYTSUHDN-UHFFFAOYSA-N 417.512 6.001 0 1 HKAF CC1(C)COC2(C[C@@H]3Cc4nc5cccc6c5c(c4[C@@H]3C2)-c2ccccc2C6=O)OC1 587209879 VZTWASCLIWVVLJ-HNAYVOBHSA-N 411.501 5.265 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CC[C@H](c3ccc(F)cc3)C2)[C@H]1c1ccc(F)cc1 587332834 KBRQKEHWBGGZPI-XPEQFSOGSA-N 406.428 5.736 0 1 HKAF CC(C)Cc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587353520 LDUGASVNLBDGKK-AOYPEHQESA-N 404.481 6.004 0 1 HKAF Cc1ccc([C@]2(C3CCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587357845 VRLBTYJRFLPXPW-RSXGOPAZSA-N 402.465 5.894 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](Cn2ccnc2)CCCC3)c1 587363095 OWSJFMQPBDLZQS-LJQANCHMSA-N 423.516 6.363 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-c1cccc(Br)n1)O2 587373970 UZEWXRYMXQADKP-IBGZPJMESA-N 409.283 5.108 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(NC(=O)c3ccccc3Cl)c1)O2 587377842 KOULKTVOKMIHHN-NRFANRHFSA-N 406.869 5.189 0 1 HKAF COc1cc2c3c(c1)O[C@](Cc1ccc(C)cc1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587420117 HCMPFQABAWLXMN-SQJMNOBHSA-N 404.893 5.543 0 1 HKAF CCCOc1ccc([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1OCCC 587476690 AHQKSJALHUDOAH-RUZDIDTESA-N 412.526 5.803 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCNc1cc3ccccc3cc12 587591555 CUKXEULRFSCPCR-BVAGGSTKSA-N 409.441 5.218 0 1 HKAF Cc1ccc(-c2cc(C(F)F)nc(-n3ncc4ccc(Cl)cc4c3=O)n2)cc1C 587651878 QHZNBYQGQRCTOX-UHFFFAOYSA-N 412.827 5.051 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)c(Cl)cc2F)N1 587714425 FMEUNVRNJRVCHC-QPFGOUBPSA-N 421.112 5.832 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCSc2ccc(F)cc2)N1 587732354 MASRDLVVRBRMIL-CWTRNNRKSA-N 412.343 5.659 0 1 HKAF Cc1ccc(C)c([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587738996 FLJQATQEMPGLPW-NWWMYVBRSA-N 417.366 5.058 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(Cc3ccccc3)C(C)(C)C2)N1 587762274 RXCWZVWXUDIJPB-OYHNWAKOSA-N 417.366 5.002 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C2/N(C)c3ccccc3C2(C)C)N1 587770804 REJWKFXEWXWIJM-MBAIRWCBSA-N 415.350 5.475 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(O)c3)cc2)N1 587835426 WFZHBONRPYIXMY-MCMMXHMISA-N 412.302 5.584 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sccc2Oc2ccccc2)N1 587846078 SZGAQOVCUNIOEP-BUXKBTBVSA-N 418.331 6.066 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(-c3ccccc3)s2)N1 587853279 MDTUJIIVFQRDJE-MPBGBICISA-N 417.347 5.509 0 1 HKAF COc1ccc2c(c1)C[C@@H](c1nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]1)CC2 587938428 VZYVESREMGAPKJ-NSHDSACASA-N 414.349 5.882 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c(C)ccnc2[nH]1 587958749 HTWFRIYBZHBVNT-WGIJKTCHSA-N 417.641 8.121 0 1 HKAF COc1ccc(Cl)cc1-c1c(Cc2ccc(F)cc2)nnc(O)c1Br 653717923 YJPYAKXMGOANMQ-UHFFFAOYSA-N 423.669 5.004 0 1 HKAF CCCC[C@H](CNC)N1CCN(CCC23CC4CC(CC(C4)C2)C3)[C@H](C(C)C)C1 653722413 GQTTYIDSUNASTJ-BQONHBNKSA-N 403.699 5.013 0 1 HKAF C[C@@]1(c2cc(F)c(Br)cc2F)NCCc2cc(-c3ccccc3)ccc21 962657267 AIUNSWDEMJYAQX-JOCHJYFZSA-N 414.293 5.804 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cc(C)c(OCc2csc(C)n2)c(C)c1 963227539 JLMFZCBCFPEDIZ-UQBPGWFLSA-N 420.622 6.393 0 1 HKAF Oc1ccc2c(c1)[C@H](c1c(Cl)cc(Cl)cc1COc1ccc(F)cc1)NCC2 963343396 VKKKLLCDBPVYBP-JOCHJYFZSA-N 418.295 5.652 0 1 HKAF C[C@]12CC[C@@H]3c4cc(-c5ccc(C(F)(F)F)cc5)c(O)cc4CC[C@H]3[C@@H]1CCC2=O 1772636219 AAUNEKYVHQFQOR-QNJCZANYSA-N 414.467 6.503 0 1 HKAF COc1ccc(-c2cc3ccccc3c(-c3cccc(OCCCN(C)C)c3)n2)cc1 1857538016 IHRYBXKZFNUMNY-UHFFFAOYSA-N 412.533 5.908 0 1 HKAF COc1cc(-c2csc(=S)n2Cc2ccc(Cl)cc2)cc(OC)c1OC 1857585724 PSCWYKVTYMOSJX-UHFFFAOYSA-N 407.944 5.674 0 1 HKAF CCC[C@H](O)CCCCCCC1=C2C[C@H](OC(=O)C=CSC)[C@H](C)N[C@H]2CCC1 2356795461 MBIHDNYJAYBQJI-HMNCIZAVSA-N 423.663 5.507 0 1 HKAF Cc1nc(C(=O)Nc2ccc(Cl)cc2)sc1[C@]1(C)CC(c2ccccc2)=NO1 13478216 VLJROBFKOUQEEW-NRFANRHFSA-N 411.914 5.397 0 3 HKAF O=C(OCc1c(-c2ccccc2)ncc2ccccc12)c1cccc(Br)c1 36388728 MSARUDJAJVQMCL-UHFFFAOYSA-N 418.290 6.021 0 3 HKAF CN(Cc1ccc(Cl)c(Cl)c1)[C@H](C(=O)NCc1ccccc1)c1ccco1 95566642 KDELQQDXOOSJDR-FQEVSTJZSA-N 403.309 5.076 0 3 HKAF O=c1c(-c2ccc(Cl)cc2Cl)cccn1[C@H](CN1CCCC1)c1ccccc1 13488426 SYKGXHAZDBBSHW-JOCHJYFZSA-N 413.348 5.507 0 1 HKAF CO[C@H]1c2c(c3c(c4c(-c5ccccc5)cc(=O)oc24)OC(C)(C)C=C3)O[C@H](C)[C@@H]1C 14555305 STOSFQGFUXQJCN-SMASLZHESA-N 418.489 5.749 0 1 HKAF COc1cc([C@H]2Cc3ccccc3-c3nc(N)c4ccccc4c32)cc(OC)c1OC 28474067 BRLWJGIUIQYZEH-HXUWFJFHSA-N 412.489 5.198 0 1 HKAF COc1ccc2c3c([nH]c2c1)[C@@H](c1ccc(C)cc1)N(C(=O)CCc1ccccc1)CC3 35901876 QWGSCRKGHQQIEX-MUUNZHRXSA-N 424.544 5.592 0 1 HKAF Clc1ccc(-c2[nH]c3ccccc3c2CN2CCC(N3CCCCC3)CC2)cc1 45167562 HLAFRHHPDVXXPG-UHFFFAOYSA-N 407.989 5.939 0 1 HKAF COc1ccc(N(c2nc(-c3cc(Cl)ccc3Cl)cs2)[C@@H]2CCNC2)cc1 45168112 JBPFYOLAPNNOOT-OAHLLOKOSA-N 420.365 5.626 0 1 HKAF Cc1ccccc1C(=O)N[C@H](C(=O)Nc1c(C)cccc1C)c1ccc(Cl)cc1 71341460 ZBLMQKDNQUCLHP-QFIPXVFZSA-N 406.913 5.375 0 1 HKAF O=C(O)c1ccccc1C(=O)Nc1ccc(Oc2ccc3ccccc3c2)c(Cl)c1 72111402 ZCBPIBHPWHIERP-UHFFFAOYSA-N 417.848 6.236 0 1 HKAF c1ccc2c(c1)c(-c1ccoc1)cn2CCCCN1CCN(C2CCCCC2)CC1 72117073 LCIPPUOTHXMYMD-UHFFFAOYSA-N 405.586 5.632 0 1 HKAF CCOC(=O)c1c(/C=C\CCCCCCCCO[C@H]2CCCCO2)cccc1OC 73067721 CDIPBCLPESNNDH-IJFZUYQYSA-N 418.574 6.159 0 1 HKAF COc1ccc2cc(CCC(=O)C[C@@H](Nc3cc(C)on3)c3ccccc3)ccc2c1 73294100 VKMCAICGBKAMCZ-RUZDIDTESA-N 414.505 5.890 0 1 HKAF C[C@@H]1C[C@H](Nc2cncc(Oc3ccc(NCc4ccccc4)cc3)n2)CC(C)(C)C1 82068732 CLHNYUDXQVEADA-KNQAVFIVSA-N 416.569 6.508 0 1 HKAF CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc(Cl)cc1 100704526 FXQNMGAXOQWQCG-HNNXBMFYSA-N 415.946 5.798 0 1 HKAF Cc1cc(-c2cccnc2O[C@H]2CC[C@H](Nc3nc4ccccc4s3)CC2)ccn1 103071563 KCLSMKDCWUEFET-KDURUIRLSA-N 416.550 5.864 0 1 HKAF Cc1ccc2nc(-c3ccccc3N3C(=O)CS[C@H]3c3ccccc3Cl)[nH]c2c1 103208315 ULUVOSLYGJEUOB-QHCPKHFHSA-N 419.937 5.970 0 1 HKAF Clc1ccc([C@@H](NC2CCCCC2)c2ccc(-c3ncnc4[nH]cnc34)cc2)cc1 103265764 XKXBWWANDFQFGM-NRFANRHFSA-N 417.944 5.685 0 1 HKAF Cc1nnc2ccc(-c3ccc4c(c3)CN3CCC4(c4ccc(Cl)cc4)CC3)cn12 114351652 KWGNNADVFYRCOK-UHFFFAOYSA-N 414.940 5.254 0 1 HKAF O=C(Nc1c(F)cccc1F)c1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 116814690 LCFBZFUUCYXAAS-UHFFFAOYSA-N 407.342 5.299 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=C[C@@H]3O 135621736 QZTNWQQTEVRSMC-MYGNQITRSA-N 416.690 6.606 0 1 HKAF CC(C)=CCC[C@]1(C)CCc2c(cc(O)c3c2O[C@H](c2ccc(O)cc2)CC3=O)O1 136920482 VJVGRDMLGWLQOT-SQJMNOBHSA-N 408.494 5.634 0 1 HKAF Cc1cc(O)cc2c1O[C@@]1(C2)[C@@H](C)CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C 137752480 JTFQPSRKDMDRKT-LYIAKFBWSA-N 412.614 6.024 0 1 HKAF CCCCCCCCS(=O)(=O)Nc1cc(-c2ccccc2Cl)ccc1C(=O)O 143709998 RSUGLXSJNJMLNB-UHFFFAOYSA-N 423.962 5.807 0 1 HKAF O=C(Nc1ccc(-c2cn(CCCc3ccccc3)nn2)cc1)N1Cc2ccccc2C1 166349307 MZBWVDOOLLYEPU-UHFFFAOYSA-N 423.520 5.126 0 1 HKAF Cc1nc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1[C@H](C)C(=O)O 169334483 GZHACSHOVRMHTE-JTQLQIEISA-N 404.691 5.814 0 1 HKAF Cc1ccccc1-c1nc(NCc2ccc(-c3cccnc3)cc2)c2ccccc2n1 169340475 HHSBLVBMFAIAGV-UHFFFAOYSA-N 402.501 6.279 0 1 HKAF N[C@@H]1CCC[C@@H](c2cc3c(-c4cccc(NCc5cccc(F)c5)n4)ccnc3[nH]2)C1 226038580 UZNXNBILDDARGO-IEBWSBKVSA-N 415.516 5.361 0 1 HKAF C[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@](C)(CC[C@@]5(C)CCC(C)(C)C[C@@]45C)[C@@H]3CC[C@H]2C1(C)C 238735670 KZDKZGPACCJOQH-JZLMRGFMSA-N 424.757 9.444 0 1 HKAF COC(=O)[C@H]1[C@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(OC)cc2)cc1)C3 253632583 AMHYXJZDPUGVJV-MIZMRPAASA-N 417.549 5.039 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@]2(C)[C@@H]3CC[C@H](C(C)C)[C@]3(C)CC[C@]12C 257462412 KETZXRQFCKBMKO-QKKPMSLCSA-N 410.730 9.054 0 1 HKAF CCCCOc1cc2nc(-c3ccccc3/C=C\C(=O)O)[nH]c2cc1Br 586882443 TXDGKWZOPNEDIT-HJWRWDBZSA-N 415.287 5.269 0 1 HKAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1 586915351 DCROSRWDHDGMPB-NBGIEHNGSA-N 414.530 5.931 0 1 HKAF CCc1ccc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c2c1 586919021 XASYRHVZBGRNDF-UHFFFAOYSA-N 416.521 5.784 0 1 HKAF Cc1c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587073280 FJBWYHFITUFTOO-UHFFFAOYSA-N 423.851 5.443 0 1 HKAF Cc1onc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)c1COc1ccc(Cl)cc1 587075823 KVJGZKPSDPCIBM-UHFFFAOYSA-N 408.672 6.066 0 1 HKAF Clc1cccc2c(-c3nc4ccc5ncccc5c4[nH]3)cc(-c3ccccc3)nc12 587082639 SYXKXUKSLYZYJI-UHFFFAOYSA-N 406.876 6.647 0 1 HKAF CC(C)COc1cc2[nH]c(-c3ccc(OC(F)F)cc3)nc2cc1Br 587130711 OUUOTQKMNZTMCG-UHFFFAOYSA-N 411.246 5.629 0 1 HKAF Fc1c(F)c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(F)c(F)c1S 587133959 GFPSZENIXRAWAQ-UHFFFAOYSA-N 406.429 6.226 0 1 HKAF CCCOc1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1Br 587149762 AYJNUPWKNDIILR-NEPJUHHUSA-N 407.258 5.664 0 1 HKAF COC(=O)c1ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 587158061 CYTFHYVAHHDAGY-HXUWFJFHSA-N 410.832 5.310 0 1 HKAF Cc1ccc([C@H](C(=O)O)c2c(-c3ccc(Cl)cc3)nc3cccc4c3c2CC4)cc1 587209333 NRIJUWXNOJGJTI-QHCPKHFHSA-N 413.904 6.179 0 1 HKAF C[C@@]1(c2c[nH]c3ccc(Cl)cc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330058 MXEGPRXGLXQIOE-VWNXMTODSA-N 421.855 5.940 0 1 HKAF Cn1c(C(F)(F)F)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332579 STIRFWSDEDQRHV-PZJWPPBQSA-N 419.374 5.163 0 1 HKAF Cc1cccc2c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c[nH]c12 587343861 DTFNBAOUJLIYDL-DHLKQENFSA-N 401.437 5.595 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(Br)s3)s1)O2 587415209 YMGLWHRLCADLKK-CYBMUJFWSA-N 420.353 5.836 0 1 HKAF COc1cc2c3c(c1)O[C@@](CSc1ccccc1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587429812 XCQUROCHNXPPFM-RDPSFJRHSA-N 406.478 5.270 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cccc(C)c2Oc2cc(O)cc(O)c21 587491621 ONCNSFDAQDLUTN-VWLOTQADSA-N 418.445 5.079 0 1 HKAF Cc1nc(-c2ccccc2F)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587500404 BKSAAVJZXLPHRD-XMMPIXPASA-N 407.510 6.017 0 1 HKAF O=C1C[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)Oc2c1ccc1c2CCCC1 587503688 CAKAQRSIERCVAY-XMMPIXPASA-N 422.446 6.958 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cc1C(F)(F)F 587545672 HBALWEFAMWESOT-YLJYHZDGSA-N 404.315 5.253 0 1 HKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1C(F)(F)F 587549770 ROHRSFWBPDYLCT-NQIIRXRSSA-N 400.352 5.422 0 1 HKAF Fc1cccc(Cl)c1-c1c(-c2ccccc2Br)[nH]c2cccc(F)c12 587634420 YBRUUFKWXCDDAY-UHFFFAOYSA-N 418.668 7.196 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccccc2Cl)N1 587695407 JSXIBMDLTCEHAY-MPBGBICISA-N 419.725 5.656 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SC(F)(F)F)cc2)N1 587722990 UPCBBQPVQMBENP-JDNHERCYSA-N 420.269 5.824 0 1 HKAF Cc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587751788 ATPNLHYFWJTISJ-IVZQSRNASA-N 413.334 5.619 0 1 HKAF Cc1cccc(C)c1-n1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587756190 RIQIUVSKXRQTQW-BTYIYWSLSA-N 413.334 5.619 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3ccccn3)c2)N1 587770091 HZLUCYHPVJSUIR-ZSEKCTLFSA-N 413.290 5.399 0 1 HKAF Cc1noc(-c2ccccc2)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587798796 WDPQSFGUIPZVMB-WLRWDXFRSA-N 401.279 5.175 0 1 HKAF CCOc1ccc(OCC)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587803524 WWMXSNJAXSNEGZ-MPBGBICISA-N 408.311 5.009 0 1 HKAF Cc1ccc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 587814809 IZLGFKLMMKPMOS-UPCLLVRISA-N 424.357 6.361 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(=O)C3CCCC3)c2)N1 587818787 JVZVUKCPFQMPNB-ASSNKEHSSA-N 416.334 5.585 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC2(O)CCCCC2)(C(C)(C)C)N1 587819913 CCOIVYNXJSFMMW-QKKBWIMNSA-N 412.387 5.449 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC/C2=C/c2ccccc2)N1 587820200 YUICOSYFISDFLR-KGDKGSHGSA-N 400.335 5.975 0 1 HKAF Cc1ccc(-c2csc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)cc1 587851168 BELANEIIMYPHQC-BUXKBTBVSA-N 417.347 5.644 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccsc3)s2)N1 587854666 RVOZQTOEYSDKFX-ABKXIKBNSA-N 409.349 5.397 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N)cc2)(c2cccs2)N1 587854999 VAIQUWDYPLVBAV-YUNKPMOVSA-N 417.347 5.058 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c2)cc1 587934931 IEXOJWWHHLGBKL-UHFFFAOYSA-N 418.802 6.458 0 1 HKAF COc1ccc(C2(c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)CC3(CCC3)C2)cc1 587936068 QUZFTSRKYWSIPI-UHFFFAOYSA-N 424.548 5.653 0 1 HKAF CC(C)c1cc(OC(C)(C)C)n(-c2cc3cnccc3c(Br)n2)c1O 587940002 GWJSXCLAJZSGQI-UHFFFAOYSA-N 404.308 5.189 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(F)c(F)c2[nH]1 587948856 KLJPGNWRRBESNL-QEEYODRMSA-N 412.480 6.126 0 1 HKAF Cc1cc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2cc1F 587949729 ZPXGZAHNEYYUIG-LPXYKDPNSA-N 408.517 6.295 0 1 HKAF Fc1cccc2c1[C@@](c1ccccc1)(c1cccc(Br)c1)N1CCC[C@@H]1C2 963089387 HBFUIUHERXYLKS-ZJSXRUAMSA-N 422.341 5.901 0 1 HKAF C[C@@]1(C(Cc2cccc(F)c2)Cc2cccc(F)c2)NCCc2c(C(=O)O)cccc21 963128972 CDPYRSKYWAVCQL-SANMLTNESA-N 421.487 5.126 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1cnc(Nc2ccccc2)s1)C(C)(C)C 963222620 BQEPCWBDYIUXDP-AFMDSPMNSA-N 419.638 6.833 0 1 HKAF CCCc1ccc(Oc2cc(CCC)cc(OC)c2OCc2ccccc2)c(OC)c1 1857534226 SVVVQFSMJAKAKR-UHFFFAOYSA-N 420.549 6.980 0 1 HKAF O=C(Nc1ccc(Cl)cc1)Nc1ccc(Oc2ncnc3cc(F)ccc23)cc1 1857596855 DAFLCDJCTJPLQV-UHFFFAOYSA-N 408.820 5.859 0 1 HKAF CCC=CCC=CCC=CCC=CCC=CCCC=CCC=CCC=CCC=CCC 2356581919 QBQCAYTWEQRERN-UHFFFAOYSA-N 418.709 10.323 0 1 HKAF CCC=C1OCCC2=C1[C@@H]1O[C@H](O)CC[C@@H]3C(CC)(CC)CCC[C@]3(CC)[C@H]1CC2 2356587707 URZYCNZDXUVMPH-VTXTWCOWSA-N 416.646 6.908 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC=C2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@H]1CC3)C(C)C 2356604993 MZYZVYBSCOUPPO-JRRJGSGKSA-N 410.686 8.009 0 1 HKAF CC(=CC=CC[C@@H](C)C(Cl)(Cl)Cl)C(=O)N[C@H](c1nccs1)C(C)C 2356610016 SASMNYHOQIJNIJ-KGLIPLIRSA-N 409.810 5.855 0 1 HKAF CC(=CCc1cc(O)cc(C)c1O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 2356737812 GTWCNYRFOZKWTL-VXKWHMMOSA-N 402.663 8.334 0 1 HKAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@H]4C3=CC[C@@H]12)COC5=O 2356802195 RYESOEGRPGIGRS-WKCYRJLMSA-N 412.570 5.372 0 1 HKAF Cc1ccc(-c2nc3ccc(Br)cn3c2Cc2cccc(Cl)c2)cc1 72104223 JQDGJOREQJQIHP-UHFFFAOYSA-N 411.730 6.316 0 3 HKAF Brc1cccc(-c2nc3c4ccccc4ccn3c2CC2CCCCC2)c1 95567150 POTYEZHZIVEDDW-UHFFFAOYSA-N 419.366 7.040 0 3 HKAF CCOc1ccccc1-c1onc(-c2ccc(OC)cc2)c1C(=O)N[C@H](C)C(C)C 774296 KARDBJNMDDDVHT-MRXNPFEDSA-N 408.498 5.190 0 1 HKAF O=C1N(CCCCCOc2ccc(-c3ccccc3)cc2)CCN1c1ccncc1 3955593 SOIBWQCHMCSSBA-UHFFFAOYSA-N 401.510 5.240 0 1 HKAF O=C(c1cccc(F)c1)N1CCC2(CC1)CN(c1ccc(-c3ccccc3)cc1)C2 4238190 FJVYFZXPYXEKNE-UHFFFAOYSA-N 400.497 5.235 0 1 HKAF CCCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1 13833587 NODORMDBKPDUBB-UHFFFAOYSA-N 418.537 5.686 0 1 HKAF COc1ccccc1-c1ccc2c(c1)C(CSCc1ccccc1)=CC(C)(C)N2 14968670 MMEYJCDBDLRVJV-UHFFFAOYSA-N 401.575 6.883 0 1 HKAF COc1c2c(cc3c1[C@@H]1Oc4c(ccc5c4C=CC(C)(C)O5)[C@H]1CO3)OC(C)(C)C=C2 15251898 GYTBWEWXRFODTH-MZNJEOGPSA-N 418.489 5.673 0 1 HKAF biogenic CCCCCc1cc(OC(C)=O)c2c(c1)OC(C)(C)[C@@H]1CC[C@H](COC(C)=O)C[C@@H]21 26010596 YKGBTFFKORCXHI-PWRODBHTSA-N 416.558 5.579 0 1 HKAF CCC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1cccc2ccccc12 26571684 MQTDARRTMZGNHH-HXUWFJFHSA-N 412.508 6.420 0 1 HKAF CCCCOP(=O)(C[C@H](CCc1ccccc1)OC(=O)C1CC1)OCCCC 26674832 ZMXYFZKTPNCSCW-NRFANRHFSA-N 410.491 5.768 0 1 HKAF O=C(Nc1ccc(Oc2ccnc3ccsc23)c(F)c1)N[C@@H]1C[C@H]1c1ccccc1 35860741 ZCYRUSHHGCLGOQ-QFBILLFUSA-N 419.481 5.905 0 1 HKAF CC1(C)C[C@H](NC(=O)Nc2ccc(Cl)cc2)c2cc(Br)ccc2O1 40812307 CLJQJCFKFTWBEI-HNNXBMFYSA-N 409.711 5.526 0 1 HKAF O=C(Nc1ccc(Oc2ccccc2)cc1)N[C@H](CN1CCCC1)c1ccccc1 45302968 GQVRUNDQIIHKDE-XMMPIXPASA-N 401.510 5.438 0 1 HKAF CN(C)C(=O)Cn1c(-c2cccs2)c(C2CCCCC2)c2ccc(C(=O)O)cc21 45372544 PJKLZRADRZIJBK-UHFFFAOYSA-N 410.539 5.204 0 1 HKAF O[C@@](c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1ccccc1F)C(F)(F)F 49070983 AJRQXIWRZSQDHR-FQEVSTJZSA-N 404.338 5.102 0 1 HKAF CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(CCc3ccccc3)ccc21 62224799 NMJZDFFOZAPXQB-HHHXNRCGSA-N 403.541 5.727 0 1 HKAF FC1(F)CCN(Cc2cccc(-c3nc(-c4cccc(C(F)(F)F)c4)c[nH]3)c2)CC1 66252666 VRPKZOYEHQAUJH-UHFFFAOYSA-N 421.413 5.994 0 1 HKAF O=C(Nc1ccccc1)c1cccc(Oc2cncc(NCCC3=CCCCC3)n2)c1 82068492 CDZGXMKZEILLPB-UHFFFAOYSA-N 414.509 5.824 0 1 HKAF CCCC[C@@H](CC)CNc1nc(N2CCC(C)CC2)nc2cc(OC)c(OC)cc12 82127436 QBUFCFFYNVLKMP-GOSISDBHSA-N 414.594 5.512 0 1 HKAF Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2)oc1C 82162634 KKBSDQXZWOEXOL-FCEUTRGCSA-N 402.542 5.898 0 1 HKAF CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC[C@H](C)CCC[C@H](C)CCCC(C)C 100048940 PRAKJMSDJKAYCZ-VZNYXHRGSA-N 422.826 11.084 0 1 HKAF Cc1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccccc3Cl)cc2)c1 100109051 LORDUTPUSGMAQA-BKFWDETESA-N 417.940 5.287 0 1 HKAF COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(O)=C2[C@@H]1c1ccc(Cl)cc1 104706851 WCYHFJBAUJSCHG-JOCHJYFZSA-N 422.912 5.796 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118936889 VETZNBAGZJYCQT-RKCGHFKXSA-N 414.674 7.102 0 1 HKAF endogenous,in-man O=C(O)CCc1ccc2c(c1)c(CCc1ccccc1)cn2-c1ccc(Cl)cc1 142420235 SSZJQHQQWMFCLF-UHFFFAOYSA-N 403.909 6.086 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@H]1/C(=C/c1ccc(-c4ccc(OC)cc4)s1)CN2C3 169369481 MJYUGDRYDHXYRF-OWZOVTRMSA-N 423.578 5.101 0 1 HKAF Cc1cc(Nc2ccc3ccccc3c2)nc(NCc2cc(-c3ccccc3)no2)n1 203007762 BYVKDPPQLLALQB-UHFFFAOYSA-N 407.477 5.949 0 1 HKAF C[C@@H](CCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@@]21C 204880086 GLXBRGHIMATFKV-ACEZCWTCSA-N 402.663 6.504 0 1 HKAF Cc1cc(C)c(C)c(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cc[nH]c(=O)c2)c1 221343652 PKVSOUFAHPBDDR-UHFFFAOYSA-N 416.399 5.364 0 1 HKAF CC[C@H](/C=C/[C@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 255208674 DZUAZCZFSVNHEF-GEQWMENFSA-N 410.686 8.009 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255221589 JQMQKOQOLPGBBE-JQDPDEDPSA-N 402.663 6.648 0 1 HKAF CC(C)=CCC[C@@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 255254585 OMKJDABLEGUPIE-IKMBNCBESA-N 424.713 8.687 0 1 HKAF C=C1CC[C@@H]2CC[C@H](OC(=O)CC(C)=C[C@@H](OC(=O)c3ccccc3)C1)C(=O)C2(C)C 299807793 YNUBGURWGSHOJE-FSSWDIPSSA-N 424.537 5.206 0 1 HKAF COC(=O)c1cccc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c12 586981670 LCYXERPNFGXHEZ-UHFFFAOYSA-N 417.303 5.204 0 1 HKAF Cc1c(-c2ccc(F)cc2C(F)(F)F)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586986855 POUPCQYEWOASHA-UHFFFAOYSA-N 423.365 6.285 0 1 HKAF Cc1c(-c2ccc(OCC(C)C)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990534 YRCVOZRADXSFEE-UHFFFAOYSA-N 409.485 6.162 0 1 HKAF Cc1ccc2c3c(cc(-c4cccc(-c5cccc(N)c5)c4)nc13)-c1ccccc1C2=O 586996906 RKQLVLXVTXRWDG-UHFFFAOYSA-N 412.492 6.671 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c21 587030343 DDVZMIGTCMYGGJ-LBPRGKRZSA-N 401.457 6.541 0 1 HKAF Fc1cc(Br)c2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 587048988 KEPHWGBDSUCUTD-DTWKUNHWSA-N 400.078 6.042 0 1 HKAF Cc1onc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)c1COc1ccccc1Cl 587062859 BNDQEGXXXHURBJ-UHFFFAOYSA-N 408.672 6.066 0 1 HKAF CCOc1ccccc1[C@@](N)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F 587093853 YQOOVDCOKHCLFX-MRXNPFEDSA-N 404.219 5.033 0 1 HKAF O=C(O)CCCOc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587108165 WGHLJBICDSNCKN-UHFFFAOYSA-N 409.441 5.357 0 1 HKAF COC(=O)c1cccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c12 587141609 WZLHPWDFLCIRGU-UHFFFAOYSA-N 410.445 5.587 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc4c(cc3[nH]2)OCCCO4)c(Cl)c1 587159061 LUXQXSUDWSKFIX-JOCHJYFZSA-N 424.859 5.685 0 1 HKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(C)cc(Br)c3[nH]2)c1 587238695 LVLHWMXMESNTBP-UHFFFAOYSA-N 421.342 6.243 0 1 HKAF C[C@@]1(c2occc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319806 DBXGMOPUPJDDFA-YLJYHZDGSA-N 417.230 5.161 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 587330082 MZTKAYGKYLIFFD-RSEQLOHWSA-N 422.883 6.250 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccccn2)[C@H]1c1ccc(F)cc1 587339951 RGYNMMJPOPVYNF-AHWVRZQESA-N 411.432 5.229 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3c2[nH]c2ccccc32)[C@H]1c1ccc(F)cc1 587346867 NURCITAMRXFTHN-OZXSUGGESA-N 413.448 5.603 0 1 HKAF COc1cccc(-c2c(Cc3cnc4ccccc4c3)cnc3c2oc2ccccc23)c1 587362901 MQFCOEXUZJPARG-UHFFFAOYSA-N 416.480 6.796 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(=O)n(C)c2CC3)c1 587363862 PQKPGFRKMFVEIM-UHFFFAOYSA-N 408.457 5.121 0 1 HKAF CCCc1ccc(-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C)cc1 587366709 YVISJLSLKQVWOD-UHFFFAOYSA-N 407.513 7.585 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccccc3)cc1F)CC2=O 587465972 ILJZIEJLVAPEKT-DEOSSOPVSA-N 406.453 5.769 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccc(Cl)cc1)(c1ccc(F)cc1)CC2=O 587468355 UPHKSGIVSXJNOP-RUZDIDTESA-N 424.899 6.241 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(-c3ccc(F)cc3)c1Cl)CC2=O 587472441 QNVNZCDTHWKGEQ-IBGZPJMESA-N 414.864 5.338 0 1 HKAF O=C1C[C@@]2(CCCNc3ccc(Br)cc32)Oc2c1ccc1c2CCCC1 587498045 NRBORKNRGIGKDU-JOCHJYFZSA-N 412.327 5.394 0 1 HKAF COc1ccccc1[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500660 MZFSHCBJUNVDAN-AREMUKBSSA-N 418.920 6.136 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)C[C@@]1(CC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589079 NKVQWKGQLHCCQT-ZEQKJWHPSA-N 411.457 5.071 0 1 HKAF CC[C@]1(C23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604148 UPMQEHQHSBVAJG-PHXRYVJXSA-N 404.506 5.719 0 1 HKAF Cc1ccc(Cl)c2sc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nc12 587661631 PVHLQHAALXLQSW-UHFFFAOYSA-N 421.884 5.763 0 1 HKAF CCc1ccccc1NC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662355 YQFLDHXCHPBZMS-UHFFFAOYSA-N 403.482 5.010 0 1 HKAF Cc1c(Cl)ccc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)[nH]c12 587695439 JUGUUBGSZCNLDC-UGZDLDLSSA-N 407.714 5.655 0 1 HKAF Cc1ccc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc2c1 587708479 XZWHKQPREVFQIB-JEOXALJRSA-N 419.725 5.722 0 1 HKAF Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1C(F)(F)F 587710309 FVJVVMPPPKRESS-ZMZPIMSZSA-N 416.256 5.713 0 1 HKAF CC[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587710498 DBZCKGFVYLPUQF-VOJFVSQTSA-N 416.256 5.795 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2cccc(C(F)(F)F)c2)N1 587711574 HRRKNCCJWPYKDV-BBATYDOGSA-N 416.256 5.599 0 1 HKAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(F)(F)F 587714530 VTLZLGAIHWBNHQ-XYZCENFISA-N 418.228 5.239 0 1 HKAF Cc1ccc(OC(F)F)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587721627 XACQNCATTVQEGE-WLRWDXFRSA-N 414.265 5.296 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccc(F)cc3)n2)N1 587735926 RUWQKVMUJDIOJM-LAJNKCICSA-N 415.281 5.413 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccccn2)N1 587767328 AKJXEHJSMUFWGR-OYHNWAKOSA-N 411.318 5.004 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2N2CCCCC2)N1 587769642 YTKFWCXSOBFOOH-SPLOXXLWSA-N 403.339 5.202 0 1 HKAF COc1ccc2cc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 587809048 PNSMFVZWOKEPCG-DMZKTXOQSA-N 414.318 5.548 0 1 HKAF CC(C)[C@@H]1CCc2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587822690 LZTZSTJEOWVLJB-UVQUFPMPSA-N 402.351 5.584 0 1 HKAF Cc1oc2ccc(O)cc2c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587828183 MPQPNTRXQCJIHW-FVINQWEUSA-N 404.279 5.146 0 1 HKAF CSc1ccc2c(c1)CCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587841915 CNQJKVUBVKSTGM-YUNKPMOVSA-N 406.364 5.424 0 1 HKAF Cc1ccc(SC(C)(C)[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587842379 UXADDMUGUUCNLH-BFUOFWGJSA-N 408.380 6.043 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1csc2ccccc12 587867258 VNJAVSJOFKEVLI-UHFFFAOYSA-N 416.424 5.871 0 1 HKAF CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1CCCc1ccc(Cl)c(Cl)c1 587942879 DXQUFAUQISRGOO-UHFFFAOYSA-N 418.364 6.978 0 1 HKAF Fc1ccc(Oc2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2F)cc1 587946341 VWTSKCJKFSBQAM-UHFFFAOYSA-N 423.462 7.882 0 1 HKAF CC[C@]1(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)CC(=O)c2ccccc2C1 587960070 KHZJTSYFKUZBKB-HHHXNRCGSA-N 410.517 5.910 0 1 HKAF CC(C)=CCC/C(C)=C/c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587967442 KCDDJHZUWUKJNC-YRNVUSSQSA-N 403.242 6.374 0 1 HKAF Sc1ncnc2c1c(-c1ccccc1)c(-c1ccccc1)n2-c1cccc(Cl)c1 653849924 XCJDOCUCRDGWOK-UHFFFAOYSA-N 413.933 6.697 0 1 HKAF CC(C)c1cccc2c1Sc1ccccc1[C@]21N[C@H](C(=O)O)Cc2cc(F)ccc21 962905323 DJKKBIHIGZRRTE-OFVILXPXSA-N 419.521 5.305 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(-c3cnc(OC)cc3C)s2)N1 962962949 YUAOZSLCJNNADD-OYLFLEFRSA-N 403.551 5.622 0 1 HKAF Cc1cccc(C)c1CC[C@]1(c2cccc(F)c2)c2ccc(F)cc2C[C@H]2CCCN21 963109812 MJBQKJCRKHGYAK-NAKRPHOHSA-N 417.543 6.479 0 1 HKAF COc1ccc(CC[C@@H]2CN(Cc3c[nH]c4cc(OC)ccc34)CCC2(F)F)cc1 1772574797 WWKVBXCNLFJMJD-LJQANCHMSA-N 414.496 5.275 0 1 HKAF COc1cc2cc([C@@H](OC(=O)C3CC3)c3ccc4ncccc4c3)oc2cc1OC 1772599314 NIJBYONTAROBOK-QHCPKHFHSA-N 403.434 5.041 0 1 HKAF CC1=C[C@H](CNCc2ccccc2F)[C@H](C(C)C)C[C@@H]1Cc1nc2cccc(C)c2[nH]1 2356287877 QYZLKNCISDIAQO-ZLNRFVROSA-N 419.588 6.197 0 1 HKAF CC[C@@H](C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(C)C 2356397632 PKXVFQDVNGNKNY-DBOMMPIKSA-N 424.669 7.188 0 1 HKAF CC=C(C)C(=O)O[C@@H]1[C@H](O)C[C@@]2(C)[C@H](CC=C(C)[C@@H]2CCC(C)=CC(=O)O)C1(C)C 2356580522 SAXSBOCXDXLSTA-YUXRMXEZSA-N 418.574 5.055 0 1 HKAF CC(C)CCN1CC2=C(C1=O)[C@]1(C)CC[C@@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]1CC2 2356807727 YBFBLICDGYTHKZ-GVALYMNDSA-N 401.591 5.279 0 1 HKAF Cc1ccn2c(NC3CCCCC3)c(-c3cccc(-c4cccc(Cl)c4)c3)nc2c1 36382356 BRUMCXSKVUFKNX-UHFFFAOYSA-N 415.968 7.375 0 3 HKAF CC[C@H](c1nc2ccccc2[nH]1)n1c(-c2ccc3ccccc3c2)nc2ccccc21 95569148 XWROLVNDCOXFLO-XMMPIXPASA-N 402.501 6.732 0 3 HKAF CC(C)=CCc1c(O)cc2oc3c(c(=O)c2c1O)[C@H](C=C(C)C)Oc1cc(O)ccc1-3 3872946 PWHGUSAQRRPLSJ-IBGZPJMESA-N 420.461 5.485 0 1 HKAF biogenic CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1c2ccccc2OCc2ncccc21 13735308 NHSICSWNBSOOTD-XMMPIXPASA-N 400.522 5.991 0 1 HKAF CC(C)c1cc2c(cc1O)[C@]1(C)CC[C@@H](OC(=O)c3ccccc3)C(C)(C)[C@H]1CC2 14410558 HFAMSEZTLMXOQW-OASJLCFRSA-N 406.566 6.381 0 1 HKAF biogenic O=C1C[C@@](CCc2ccccc2)(c2ccccc2)OC(=O)[C@@H]1Sc1ccccc1 17748434 GQFUOEUKVURDSZ-NOZRDPDXSA-N 402.515 5.192 0 1 HKAF CC(C)N(C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C)C(C)C 26385874 DXSCVNXGNJVZAB-WXPJTRHWSA-N 412.618 5.013 0 1 HKAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)SC(C)(C)C)[C@@H]3CC[C@@H]12 26387358 ZTCPRLTVZUYVAK-CGXYBBJHSA-N 405.648 5.524 0 1 HKAF CCc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1/C=C/[C@H]1C[C@@H](O)CC(=O)O1 27707615 JZCAAARUYARJOI-NOBHMXGUSA-N 417.480 5.197 0 1 HKAF CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccccc4OC)c3c2C)cc1 28569234 UGSYPDAAZJSKFN-UHFFFAOYSA-N 416.525 5.365 0 1 HKAF C[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl 28820619 HSLFOYFJYRSLKF-SNVBAGLBSA-N 417.745 5.038 0 1 HKAF C[C@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O 33820973 GMTQWYNNGJJVNK-IVADJXBHSA-N 418.662 6.533 0 1 HKAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cc(C)ccc2[nH]1)C(F)(F)F 34375881 ICUQBHIVWGFWAR-QFIPXVFZSA-N 423.450 5.828 0 1 HKAF Fc1ccc(C(OCC=C2C[C@@H]3CC[C@H](C2)N3CC2CC2)c2ccc(F)cc2)cc1 34884338 ICVMKONCNGVFQL-PLQXJYEYSA-N 409.520 6.034 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 38600522 ARYTXMNEANMLMU-JFKDGZFBSA-N 402.707 7.715 0 1 HKAF COc1ccc(-c2c(C)noc2[C@H]2[C@@H](c3ccc(Cl)cc3)C[C@@H]3CC[C@H]2N3C)cc1 40892050 MRFZMPJKMYTXDM-BQUSRXHISA-N 422.956 6.046 0 1 HKAF COc1ccccc1CN1CCC(=O)[C@H](C(c2ccc(F)cc2)c2ccc(F)cc2)C1 72106159 PROVIONNLHVHPU-HSZRJFAPSA-N 421.487 5.197 0 1 HKAF O=C(NCC1CC1)c1cnc(NC2CCCC2)nc1-c1ccc(-c2ccccc2)cc1 82153661 VOHNIDIRPAFHBQ-UHFFFAOYSA-N 412.537 5.305 0 1 HKAF CCCCCn1c(-c2ccc(Cl)cc2)nc2c(NCc3cccc(F)c3)ncnc21 82181487 MYWJMJQAWQSDNN-UHFFFAOYSA-N 423.923 6.088 0 1 HKAF COc1ccc(N2C(=O)CS[C@@H]2c2sc(-c3ccc(Cl)cc3)nc2C)cc1 95558726 LVOJXQGSTVEWHK-HXUWFJFHSA-N 416.955 5.559 0 1 HKAF O=C(Nc1ccccc1Cl)Nc1cccnc1Oc1cccc(C(F)(F)F)c1 95586148 WJSYZBCRPYSOEY-UHFFFAOYSA-N 407.779 6.190 0 1 HKAF CCOC(=O)c1sc2cc(C)ccc2c1Nc1cc(OC)c(OC)c(OC)c1 95590018 NJKZWMSYYHZRHK-UHFFFAOYSA-N 401.484 5.156 0 1 HKAF CC1=C(CC[C@@](C)(O)/C=C/C/C(C)=C/CCC2=CC(=O)O[C@@H]2O)C(C)(C)CCC1 96921460 GSUNQYAOGZKXEY-NOPBMUKFSA-N 402.575 5.519 0 1 HKAF CC[C@H](C)Sc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(OC)cc1 100703590 AFCYUUBDVZHPMC-SJCJKPOMSA-N 411.527 5.295 0 1 HKAF OC1=C2C(=Nc3nc(SCc4ccccc4Cl)nn3[C@H]2c2ccncc2)CCC1 104056703 NJIOEZURUNEBND-IBGZPJMESA-N 423.929 5.290 0 1 HKAF Fc1ccc(F)c(-c2noc(-c3cnn(C4CCCCC4)c3-c3ccncc3)n2)c1 114561979 PNRGSQSITMFEIL-UHFFFAOYSA-N 407.424 5.446 0 1 HKAF C[C@H]([C@H](O)CCC1CC1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118932651 HNXXYUFJNVUPGA-SXPRZVBQSA-N 400.647 6.114 0 1 HKAF CCNC(=O)N[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1 141052143 DCAANRNKOBXSLD-IFSOPIRISA-N 419.613 5.725 0 1 HKAF Cc1ccc(F)cc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1 204533847 KINIHRBFPICAII-UHFFFAOYSA-N 406.413 5.090 0 1 HKAF CO[C@H](/C=C/CCCCCCC=C(Br)Br)[C@@H]1CCCO1 238760731 PEUQTGHGULKWLT-AEOIHIIDSA-N 410.190 5.708 0 1 HKAF C[C@H]1CC[C@H]([C@@H](C)[C@H]2C[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2)NC1 255205099 DADHFMSASPSIMH-IVJVQQFWSA-N 415.662 5.209 0 1 HKAF C/C(COC/C(C)=C1/[C@H]2[C@H](CC[C@H]2C)[C@@]2(C)CC[C@@H]12)=C1\[C@H]2[C@H](CC[C@H]2C)[C@@]2(C)CC[C@@H]12 255266974 SQOAFQJJZLXFIC-QPCWVVJTSA-N 422.697 7.820 0 1 HKAF Cc1c(Br)cc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1C 586979892 XVECPJWZPJRDJD-UHFFFAOYSA-N 415.516 5.420 0 1 HKAF Brc1ccc2cc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)cn2c1 587006202 JRRZQANUISMJAR-UHFFFAOYSA-N 418.294 5.824 0 1 HKAF Brc1n[nH]c2ccc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)cc12 587007072 LKIVZJMNCVJRBX-UHFFFAOYSA-N 405.255 5.661 0 1 HKAF Cc1c(Cl)ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 587027476 RBCDAGPEQMDTFZ-LZQZEXGQSA-N 413.974 5.661 0 1 HKAF Cc1nn(-c2cccc(-c3nc4ccc(Br)c(O)c4[nH]3)c2)c(C)c1Cl 587065807 YCLCWDDYQGIBIM-UHFFFAOYSA-N 417.694 5.154 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587074009 PNYDMDGUBMDYBB-UHFFFAOYSA-N 423.225 6.273 0 1 HKAF Cc1onc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)c1COc1ccc(Cl)cc1 587076889 YWRWGCQPFJMRHG-UHFFFAOYSA-N 423.835 5.084 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)CCc1c-3nc2c(C)ccc3c2c1-c1ccccc1C3=O 587095783 ATYXJKHLEQAPFU-UHFFFAOYSA-N 400.481 6.310 0 1 HKAF COc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1OCCC(C)C 587108133 VJDGAWRASWYRLM-UHFFFAOYSA-N 423.512 6.547 0 1 HKAF Cc1c(Br)cnc2[nH]c(-c3ccccc3-c3ccc(F)c(F)c3)nc12 587145863 TUYOEKUCKZEJKN-UHFFFAOYSA-N 400.226 5.641 0 1 HKAF COC(=O)c1cccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587158685 JWZLQYPJCPLLPD-HXUWFJFHSA-N 410.832 5.310 0 1 HKAF CC(C)(C)OC(=O)N[C@H](c1nc2cccc(OCc3ccccc3)c2[nH]1)C1CCCC1 587227552 ZQYGSHZYHWPKLE-NRFANRHFSA-N 421.541 5.898 0 1 HKAF Cc1cc2c(cc1Cl)[C@]1(C=CO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327623 HGABMRVOGRJQIP-VWNXMTODSA-N 422.839 5.654 0 1 HKAF CC(C)(C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 587354983 PAAIDJQESPJZTK-JYFHCDHNSA-N 404.481 6.017 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCc1ccc(Cl)cc1)(C(C)(C)C)CC2=O 587460745 HQZKMZLXACCUAE-XMMPIXPASA-N 400.946 6.381 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCC(C)C)c(OCC)c1)CC2=O 587482387 NRWOLHLGWXPNBP-QHCPKHFHSA-N 412.526 5.875 0 1 HKAF COc1ccc(OC)c([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587528044 YVWIOVBBEKOIHO-MHZLTWQESA-N 414.501 5.492 0 1 HKAF Cc1ccc(C(F)(F)F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587548058 MXNIMONTZWXGOF-GHTZIAJQSA-N 400.352 5.422 0 1 HKAF CN(C)c1ccc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2c1 587573235 SHEKLXJLAFSMJU-ZEQKJWHPSA-N 411.457 5.314 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1ccsc1 587616944 HPICPJCIHCWBAI-XUZZJYLKSA-N 400.455 5.824 0 1 HKAF CCc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 587618909 VLAKRDGGKRLSDU-JYFHCDHNSA-N 412.441 5.918 0 1 HKAF Cc1cccc(C)c1NC(=O)c1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626789 XIMGTUUMQJSJJR-UHFFFAOYSA-N 414.349 6.383 0 1 HKAF O=C(c1c(-c2ccc(Br)cc2)[nH]c2cc(Cl)c(F)cc12)C(F)(F)F 587629188 YGLVMWRCOHTPGI-UHFFFAOYSA-N 420.587 6.135 0 1 HKAF CCOC(=O)c1c([C@H]2CCCN2C(=O)OC(C)(C)C)[nH]c2ccc([C@H](C)CC)cc12 587643881 KFHWIEVWKDXOLS-DNVCBOLYSA-N 414.546 5.930 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cc(Cl)ccc3n2)N1 587695237 IZVYIOPFSYSKCS-APBUJDDRSA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)(F)F)c(F)c2)N1 587721355 PKSTYONCRBHURA-VPTHRUTESA-N 422.191 5.250 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccccc3F)no2)N1 587728360 RWWFSODPPYJTGK-GIGQVBGESA-N 405.242 5.006 0 1 HKAF CCC[C@H](CC1(c2nc3c(C)ccc(C)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781491 KZBWGQJDDMSHQI-JOCHJYFZSA-N 418.581 6.541 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2c[nH]c3ccccc23)N1 587801900 IBGNMSIEYXWLET-LRTDBIEQSA-N 401.323 5.452 0 1 HKAF CC(C)C[C@]1(CCc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814745 VIIJZSXHQAPDBT-AOMKIAJQSA-N 404.367 5.997 0 1 HKAF Cc1oc2ccc(O)cc2c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587826649 FYGQWOQCJBSGRC-SBKAZYGRSA-N 404.279 5.146 0 1 HKAF COc1ccc2c(C)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)oc2c1 587830016 SCMNYFFPENXODA-OVWNDWIMSA-N 404.279 5.275 0 1 HKAF Cc1sc(N)c([C@@]2(C3CC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587841310 ANJQOLCHSQFOCE-UGZDLDLSSA-N 409.368 5.037 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sccc2Br)N1 587845456 RDVCVSRKKIOHOU-FUXBKTLASA-N 405.130 5.036 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccccc3)cs2)N1 587853241 LRCLQPGPLZUSPW-BBATYDOGSA-N 403.320 5.335 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2cc(F)ccc2s1 587862026 ZMRYKVQPTWELHK-UHFFFAOYSA-N 420.387 5.620 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2ccc(Cl)cc2s1 587863790 IOQXFWUMLCPIFZ-UHFFFAOYSA-N 409.820 5.830 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2c(C)c(C)ccc2s1 587866322 AQNSKQVIXGLNMP-UHFFFAOYSA-N 417.456 6.183 0 1 HKAF O=C(c1ccc(COc2ccccc2Cl)o1)n1nc2cc1Oc1ccc(F)cc1-2 587874263 RRCUUSHTCYCQTB-UHFFFAOYSA-N 410.788 5.309 0 1 HKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587951983 KZFCZLOZFRWPEV-WBIUFABUSA-N 419.285 6.391 0 1 HKAF C[C@@H](NCCCCNc1ccnc2cc(Cl)ccc12)C12CC3CC(CC(C3)C1)C2 653715994 IRCYRZBUQDWBGZ-KNEUKCCGSA-N 412.021 6.275 0 1 HKAF CC1(C)CCC(C)(C)c2cc3c(cc21)O[C@@H]1CCCC[C@]31c1ccc(C(=O)O)c(F)c1 653738934 WUMXEFVHKYADBL-KCWPFWIISA-N 422.540 6.494 0 1 HKAF COc1ccc2c(c1OC)[C@@](c1ccc(C)cn1)(c1ccc(C)cc1C)N(C)[C@@H](C)C2 962621497 HAGSHLMKQDNKBM-DCFHFQCYSA-N 416.565 5.192 0 1 HKAF COc1ccc(Cl)cc1[C@]1(CC(C)C)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962634342 UALSARHKVUGIIS-VOIUYBSRSA-N 417.977 5.532 0 1 HKAF CCCCCc1ccc([C@@]2(C(F)(F)F)c3ccccc3C[C@H](C)N2CCC)cc1 963241867 OETHAFVJFIDLAP-CYFREDJKSA-N 403.532 6.882 0 1 HKAF CCC[C@H](C)N1CCC(N(Cc2ccccc2)C(=O)Nc2ccc3c(c2)OCO3)CC1 1772570739 FNLHOPZUOLWLFS-IBGZPJMESA-N 423.557 5.102 0 1 HKAF COc1ccc(C(=O)Nc2cc(Cl)c(O)c3ncccc23)cc1OC1CCCC1 1857602712 LLVSJEAFFKUNGX-UHFFFAOYSA-N 412.873 5.176 0 1 HKAF COc1ccc(C=C[C@H]2C[C@@H](c3ccc(OC)cc3)Oc3cc(OC)ccc32)cc1 2356401133 UKDSXGUCSVQBKZ-CPJSRVTESA-N 402.490 6.033 0 1 HKAF CC1(C)CC[C@]2(C)CC=C3[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@]34C)[C@H]2C1 2356436118 BBABFZDRVGJXDN-DJKHYZISSA-N 412.702 7.779 0 1 HKAF CC1(C)CC[C@]2(C)CC=C3[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]34C)[C@H]2C1 2356436119 BBABFZDRVGJXDN-IQVKQBTLSA-N 412.702 7.779 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CCC2=C3C=C[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356588856 JXWWITGIOCSBLV-IKADOYDESA-N 410.686 7.577 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CCC2=C3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356623078 AVFWODJEHWOSGS-IDNFYOOGSA-N 400.647 6.280 0 1 HKAF CCCCCC=CCC=CCC=CCC=CCCCC(=O)c1c(O)cc(O)cc1O 2356722144 YTHCLWOOCGCXRD-UHFFFAOYSA-N 412.570 7.132 0 1 HKAF COc1cc2c3c(c1C)[C@H](C)[C@H](C)O[C@@H]3c1c(OC)c(C)c3c(c1O2)O[C@H](C)[C@@H]3C 2356861319 UHQQHTWESHWNHO-BNIMVFGBSA-N 410.510 5.922 0 1 HKAF CCN(CC)c1ccc(-c2sc(Nc3ccccc3)n[n+]2-c2ccc(F)cc2)cc1 15936843 LGIFJSRFXJNBMZ-UHFFFAOYSA-N 419.549 5.816 0 3 HKAF CCCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(F)cc1Cl 2480475 HKTPEJUVRJUMLB-UHFFFAOYSA-N 402.853 5.340 0 1 HKAF CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCOC(=O)c1ccccc1 12153925 GAMTYFUXKUANAW-CLCZQPDDSA-N 418.662 7.424 0 1 HKAF biogenic Oc1cc(NC[C@H]2CCC[C@@H]2NCc2ccc(Cl)c(Cl)c2)nc2ccccc12 13488725 GQAWHFHCJXEXAJ-BEFAXECRSA-N 416.352 5.618 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](NCc1ccco1)c1ccccc1 13737292 IRJXFWXQMUTBKI-DEOSSOPVSA-N 419.569 6.179 0 1 HKAF CCCCCC[C@@H](Oc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1)C(=O)OCC 13864251 LLGLMQUTINCRKE-JOCHJYFZSA-N 424.493 5.447 0 1 HKAF Cc1ccc(-c2cc(-c3ccncc3)nc(N3CCN(c4ccccc4)CC3)n2)cc1C 28465545 SLLITCXUCIQZSO-UHFFFAOYSA-N 421.548 5.149 0 1 HKAF Fc1cnc2[nH]nc(Nc3cc(C(F)(F)F)cc(-c4ccccc4Cl)n3)c2c1 43199865 GBGNHUZQFPYZRM-UHFFFAOYSA-N 407.758 5.575 0 1 HKAF Cc1ccccc1C1CCN(C2CCC(NC(=O)/C=C/c3ccc(F)cc3)CC2)CC1 45335313 CNGFVBYCNZZZIA-OVCLIPMQSA-N 420.572 5.454 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/[C@H](c1nccn1C)[C@H](CC(=O)O)C(=O)O 45338723 JRUPZAMPCOXFPV-NWARKBBDSA-N 402.535 5.098 0 1 HKAF O=C(CCc1ccccc1)N1CCc2c([nH]c3ccccc23)[C@@H]1COCc1ccccc1 45353962 ZQCYEZONNMEERB-SANMLTNESA-N 424.544 5.443 0 1 HKAF Cc1cccc(-c2ccc3nccc(Nc4ccc(N5CCN(C)CC5)cc4)c3c2)c1 58538236 LRRFROMGHKZMSA-UHFFFAOYSA-N 408.549 5.706 0 1 HKAF COc1ccc(-n2cc(COC/C=C(\C)CC/C=C(\C)CCC=C(C)C)nn2)cc1 66100042 CSUXTIKBLVQYDH-RQALOGEDSA-N 409.574 6.212 0 1 HKAF CCC(C(=O)Nc1cc(-c2ccccc2)ccc1OC)(C(F)(F)F)C(F)(F)F 68573036 BJYDTNAXFNAWFY-UHFFFAOYSA-N 405.338 5.822 0 1 HKAF biogenic COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)c2cc3ccccc3o2)cc1 71318357 AFXNMFJZCWIHDE-JOCHJYFZSA-N 414.436 5.572 0 1 HKAF Cc1cccc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 82146437 UZBMCLMUUNXXMX-FXELSEDVSA-N 420.601 5.052 0 1 HKAF CC[C@@H](C)Cn1c(-c2cccs2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188470 DEBZMFVCMGGDHQ-IAGOWNOFSA-N 405.571 5.817 0 1 HKAF CCOP(=O)(OCC)[C@H](Cc1cc(F)cc(F)c1)c1sc2ccccc2c1C 84619587 QVXHAEQGELTBNQ-LJQANCHMSA-N 424.449 7.038 0 1 HKAF CCCCC[C@H](O)C[C@@H](CCc1ccc(O)c2c1CC[C@@H]1CCC[C@@H]1O2)OC(C)=O 85627692 KZNRSMJFGRHLFU-JCUDRXCFSA-N 418.574 5.082 0 1 HKAF biogenic,in-vitro COc1cc2cc(C)nc(C)c2c(OC)c1-c1c(C)cc2cccc(OC)c2c1O 95486218 JHNOOQUNOVQXIS-UHFFFAOYSA-N 403.478 5.712 0 1 HKAF biogenic,in-vitro O=C(C[C@H]1COCC[C@@H]1NC1CCCCC1)c1ccc(C(F)(F)F)cc1C1CC1 96170675 KZPNECYGASCGCP-KKSFZXQISA-N 409.492 5.483 0 1 HKAF C[C@H]1CC[C@H](NS(=O)(=O)Cc2ccccc2)CCCCCCCCCCC(=O)O1 103215435 RNNGPENRYVCNLD-RBBKRZOGSA-N 423.619 5.101 0 1 HKAF CC(C)N(CCn1nc(OCc2cccc3ccccc23)c2ccccc21)C(C)C 103262985 VPCGQGULMIQIPB-UHFFFAOYSA-N 401.554 5.887 0 1 HKAF CC[C@@H](C)Nc1ncc(C(=O)N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccccc2F)n1 105178346 KSEJIORGIAFDGT-XMAZWFNRSA-N 424.564 5.294 0 1 HKAF Cc1ccc2c(c1)S[C@@H](c1ccccc1)[C@H]1C(=N2)c2ccccc2[C@@H]1c1ccccc1 169292011 KDQIDXUBKCXTBC-GKRYNVPLSA-N 417.577 7.725 0 1 HKAF O=C(OC[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccs1)c1ccc2ccccc2c1 169359632 HKCXATAGMOKJIB-QYXUYDTRSA-N 415.558 5.624 0 1 HKAF COc1ccc(F)cc1CNc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1 207720439 PHSVBTROLPTESE-UHFFFAOYSA-N 422.790 5.483 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\Cc1cc(CC(=O)O)ccc1O 215679980 KWRMKPPRYRRMKO-AMBFPWEPSA-N 424.625 7.708 0 1 HKAF C/C=C(/C)C(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H](CC/C(C)=C\C(=O)O)C(C)=CC[C@@H]12 238741585 BSBLTGZOARUDJS-HKKOIIDWSA-N 402.575 6.086 0 1 HKAF CC1(C)C(=O)CC[C@H]2[C@@H]1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@H]21 238788341 HYPYJVALUQPMIH-BNZGPXHYSA-N 424.669 7.166 0 1 HKAF CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3cccc(C)c3)c2)CC1 299865550 NUXJWDXFRKASNI-UHFFFAOYSA-N 410.558 5.972 0 1 HKAF CSc1sc(-c2nc3cc(F)c(F)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586919851 IGKLGJRPPWFVAR-UHFFFAOYSA-N 422.931 5.127 0 1 HKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc3c(cc2[nH]1)OCO3 586982497 LCQAXCRTEHTRDX-AWEZNQCLSA-N 401.304 5.427 0 1 HKAF C[C@H]1C[C@@H](C)CN([C@@H]2CCCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)C1 586988909 ZLLDOIWXFDKUMM-VWKPWSFCSA-N 412.533 5.507 0 1 HKAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc(Br)c(C)c(C)c2[nH]1 587010868 FCYIUBQBTHGYRE-UHFFFAOYSA-N 412.356 5.965 0 1 HKAF CC(=O)Nc1ccc(Cl)c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 587050048 MJAGVNZAXSDVHU-UHFFFAOYSA-N 418.909 6.118 0 1 HKAF FC(F)(F)Sc1ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c1 587063051 LQSYULMHTTYEGL-UHFFFAOYSA-N 418.871 7.086 0 1 HKAF CN(C)C(=O)c1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c1 587063617 QWVYPHFKCIPPQL-UHFFFAOYSA-N 405.885 5.164 0 1 HKAF FC(F)(F)Oc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1 587064250 GLEMWWPKONWEEC-UHFFFAOYSA-N 408.763 5.954 0 1 HKAF Cc1ccc2c3c(cc(Cc4nc(-c5ccccc5)no4)nc13)-c1ccccc1C2=O 587098305 WZXKWDDFCVGZPC-UHFFFAOYSA-N 403.441 5.395 0 1 HKAF Fc1cc(Br)cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 587123794 HAFIDRZLXICAOB-ZZXKWVIFSA-N 417.225 6.247 0 1 HKAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2cccc(Br)c2[nH]1 587128363 KMCPHSKMDLXVKW-UHFFFAOYSA-N 406.255 6.054 0 1 HKAF CCCCOc1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c2cc1Br 587162149 TXQQFFOTIRBURS-HUUCEWRRSA-N 403.295 5.915 0 1 HKAF Fc1ccc(-c2cn3c(Cc4nc5cc(Cl)c(Cl)nc5[nH]4)csc3n2)cc1 587166187 OSBVPCZZRHTPHZ-UHFFFAOYSA-N 418.284 5.371 0 1 HKAF C[C@H](c1ccccc1)N1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587345555 PXOYBMHWUIYODO-IEFSCDDCSA-N 417.480 5.096 0 1 HKAF COc1cccc(-c2cc(C3=C(C)N(C)c4ncnn4C3)nc3c2oc2ccccc23)c1 587363621 ROARSHWGGYDKOP-UHFFFAOYSA-N 423.476 5.129 0 1 HKAF COc1cccc(-c2cc(-c3cccc4sc(N)nc34)nc3c2oc2ccccc23)c1 587367563 YYAULFIAKZXVQO-UHFFFAOYSA-N 423.497 6.516 0 1 HKAF C[C@]1(Cc2nc3ccccc3s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587374091 OBSISMGGBCCFEE-ISKFKSNPSA-N 419.477 5.501 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccccc3C(F)(F)F)o1)CC2=O 587464612 UOZOGWCPBNSNJU-NRFANRHFSA-N 416.395 6.330 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccco1)(c1coc3ccc(O)cc13)CC2=O 587479794 JFHGNIDEEPLFIE-DEOSSOPVSA-N 404.418 5.299 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3ccc(CC)cc3)o1)CC2=O 587480671 KMKSFCIEFMJAMS-DEOSSOPVSA-N 406.478 5.786 0 1 HKAF CC1(C)Cc2[nH]nc(C(F)(F)F)c2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587508400 OTPCEQHAJOVEQB-OAQYLSRUSA-N 404.432 5.140 0 1 HKAF COc1ccc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587548570 ODSOIZJCWMMGAH-WIYYLYMNSA-N 416.351 5.123 0 1 HKAF CCN(CC)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587556234 WLQVFLCMBAEEIJ-QPPBQGQZSA-N 407.441 5.080 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1COc1ccccc12 587606495 DHSGCYGKEOCNJR-RPLLCQBOSA-N 422.436 5.190 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccccc2)o1 587610687 DPSBSFHJQIQRAD-XUZZJYLKSA-N 416.454 5.839 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(CN2CCCCC2)cs1 587613604 OCAAKWMFSODXID-XUZZJYLKSA-N 421.518 5.143 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2oc3ccccc3c2c1 587618254 SULIJNPGSOGXQC-ZEQKJWHPSA-N 408.409 5.995 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)Nc1ccc(Cl)cc1 587625089 BBQBUZYBGZVGIM-UHFFFAOYSA-N 420.740 6.420 0 1 HKAF Cc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2Cn2cncn2)cc1 587627963 NFFFDDBKMJZGSH-UHFFFAOYSA-N 424.348 5.821 0 1 HKAF O=C(c1cc2cc(F)ccc2s1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658366 NEBFCSFWBJAKNX-UHFFFAOYSA-N 418.424 5.245 0 1 HKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc(-c2cccs2)cs1 587660430 FDJKDMIOAFCBND-UHFFFAOYSA-N 405.479 5.377 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(Br)c2)N1 587679296 MVXODKDQBAHQKS-BMLIUANNSA-N 413.128 5.148 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)cccc2Cl)N1 587691753 HUNLIZFVDUXYMR-HUTHGQBESA-N 403.122 5.693 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ccnc(Cl)c3c2)N1 587704673 KNCCYHXAHVEDBF-XTZNXHDOSA-N 405.698 5.413 0 1 HKAF COc1ccc(C=O)c(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)c1OC 587787912 ZNYBXXHCEFPEKR-UHFFFAOYSA-N 418.293 5.097 0 1 HKAF CCCCOc1c(OC)cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587794594 OWEIYFKUTLPZMX-XCLFUZPHSA-N 422.338 5.399 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(c2ccccc2)c2ccccc2)N1 587813210 NFUDOBQSIPEPFT-UPCLLVRISA-N 424.357 6.170 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2)(C2CC2)N1 587815250 LFKOLQOUWGRVLN-YEJXKQKISA-N 402.307 5.001 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(O)c3)cc2)N1 587835427 WFZHBONRPYIXMY-WHEQGISXSA-N 412.302 5.584 0 1 HKAF CCOC(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(OC)c(OC)c4)cc3)nc2c1 587928320 CQIMEXWSUKMCLM-UHFFFAOYSA-N 402.450 5.091 0 1 HKAF CC(C)C[C@H](NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21)C(=O)O 653849311 SZGBGLBJWLTZQQ-QTDJFWLRSA-N 413.602 5.436 0 1 HKAF c1ccc(N2CCN3[C@@H](c4cccc(-c5ccsc5)c4)c4ccccc4C[C@@H]3C2)cc1 962629812 CMERYNKHCYZGCD-IAPPQJPRSA-N 422.597 6.251 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2nn(-c3ccc(OC)cc3)c3ccccc23)N1 962955062 LXEIUIZGZHXUHO-CRYYWNKWSA-N 422.532 5.529 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(COc3ccc(F)cc3Cl)o2)N1 962958986 VHDUMNSIFPYUKZ-MYYSRTQBSA-N 424.903 6.146 0 1 HKAF Cc1ccnc2c1CCN[C@]21CC[C@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 963065333 DCTHWZMXQDLJQH-KHOUOGIASA-N 406.614 5.055 0 1 HKAF Cc1ccc(C)c(CC[C@@]2(c3cccc(F)c3)c3ccc(F)cc3C[C@H]3CCCN32)c1 963096298 MYAFMLUGAKXZEL-IXCJQBJRSA-N 417.543 6.479 0 1 HKAF COc1cccc([C@@]2(c3ccc(C)c(C)c3)c3ccc(F)cc3C[C@H]3CCCN32)n1 963112921 XXPZLESEYCWHFE-ATIYNZHBSA-N 402.513 5.159 0 1 HKAF CC1=C[C@@H]2Cc3[nH]c4cc(Cl)ccc4c(=NCCCCCCCCN)c3[C@H](C1)C2 1772600733 XNJOICNXXFHKKE-RBUKOAKNSA-N 412.021 6.017 0 1 HKAF CCC(=O)Nc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cc1OC 1772621111 QYBXJSPKRPAHQB-UHFFFAOYSA-N 414.465 5.523 0 1 HKAF COc1cc2nc(Nc3ccc(F)cc3)nc(NCc3ccccc3)c2cc1OC 1772656722 SMDBMXXLACTJAK-UHFFFAOYSA-N 404.445 5.142 0 1 HKAF O=C(Nc1ccc(OCc2nc3ccccc3s2)cc1)Nc1cccc(Cl)c1 1857569605 YUJUWTKAAYMVNM-UHFFFAOYSA-N 409.898 6.173 0 1 HKAF Fc1ccc(-n2nc(CN3CCSCC3)cc2-c2ccc(C(F)(F)F)cc2)cc1 1857602123 XSNCMGIVZCAUTP-UHFFFAOYSA-N 421.463 5.246 0 1 HKAF CCN(CC)c1ncnc(-c2ccc(Cl)cc2)c1C(=O)Nc1ccc(C(C)C)nc1 1857605724 KFJBZCVBSFHYFG-UHFFFAOYSA-N 423.948 5.414 0 1 HKAF Clc1ccc(Nc2ncc3c(n2)-c2cnc(Nc4ccccc4)nc2CC3)cc1 1857765699 TZAPLPRIKCVWPC-UHFFFAOYSA-N 400.873 5.173 0 1 HKAF CC1=C(C=CC2=C3CC[C@H]([C@H](C)C=C[C@](C)(O)C(C)C)[C@]3(C)CCC2)C[C@H](O)CC1 2356391018 HYLCFKGHPPBTLL-NAUNSLIWSA-N 412.658 6.900 0 1 HKAF CC(C)=CCCC=C(C)Cc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O 2356484845 JKLKEFNYCCESHZ-QHCPKHFHSA-N 408.494 5.745 0 1 HKAF Cc1cc(=O)c2c(o1)O[C@]1(C)CC[C@@H]3[C@](C)(CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]43C)[C@@H]1C2 2356717365 PSHUZQHBLAPAMD-WVPNVVJHSA-N 414.586 5.272 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)Cc1cc(O)cc(-c2cccnc2O)c1O 2356824607 GWMPSZIOAYAGPH-AACVKEQHSA-N 407.554 6.207 0 1 HKAF CC(C)Oc1ccc(CN2CC[C@@]2(C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 61897276 QGOXBZPVXWEERZ-NRFANRHFSA-N 407.341 5.384 0 3 HKAF CCCCN(Cc1ccccc1)S(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1 4873447 CNAWWSYNWPYHIA-UHFFFAOYSA-N 419.550 5.221 0 1 HKAF CC[C@H](CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 13298742 LGJMUZUPVCAVPU-MRXFCPDJSA-N 416.734 8.105 0 1 HKAF CCC(CC)(CC(=O)O)C(=O)Nc1cccc(OCc2ccc3ccc(F)cc3n2)c1 28087004 BWDRKHWOKWDREA-UHFFFAOYSA-N 424.472 5.173 0 1 HKAF CCc1ccc(-c2nnc(SCCc3c[nH]c4ccccc34)n2CCCCN)cc1 28463398 YKFZRNVBSDILEH-UHFFFAOYSA-N 419.598 5.063 0 1 HKAF COc1cc(C(=O)O)ccc1-c1ccc(-c2cc3c(Cl)ccc(Cl)c3o2)[nH]1 29468302 WEAYMWIUNXWSAK-UHFFFAOYSA-N 402.233 6.109 0 1 HKAF CC1(C)C[C@H](NC(=O)Nc2cccc(Cl)c2)c2cc(Br)ccc2O1 35943323 HLXNKMOLEFMIFG-HNNXBMFYSA-N 409.711 5.526 0 1 HKAF CCCCC[C@H](C)NCc1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 72103595 XCXLHFQDCJDPMO-LBPRGKRZSA-N 408.386 6.438 0 1 HKAF Fc1ccccc1-c1nc(N2CCCCC2)ncc1-c1ncc(-c2ccccc2)s1 82175688 HEFLKNIJLKMONZ-UHFFFAOYSA-N 416.525 6.064 0 1 HKAF O=C(c1cccc2ccccc12)N1Cc2ccccc2C[C@@H]1COCc1ccccc1 84653444 LEETUGUPLYOJQZ-RUZDIDTESA-N 407.513 5.624 0 1 HKAF Cc1ccc([C@@H]2N(C)c3ccccc3C(=O)N2c2ccccc2Br)s1 95583677 HDUMUZRZBJOEPL-LJQANCHMSA-N 413.340 5.614 0 1 HKAF Cc1ccccc1CSc1nc2n(n1)[C@@H](c1cccs1)C1=C(O)CCCC1=N2 102350296 CBQDXHFRISTFID-IBGZPJMESA-N 408.552 5.612 0 1 HKAF COc1ccc2c([C@@H](Nc3ccc(Cl)cc3)c3ccccc3Cl)c(C)[nH]c2c1 103244864 KHELNPXGIRCYJN-QHCPKHFHSA-N 411.332 6.993 0 1 HKAF Clc1ccc2c(c1)C(c1c[nH]c3ccccc13)(c1c[nH]c3ccccc13)CCS2 103253754 OFNCRKNOPJSHQG-UHFFFAOYSA-N 414.961 7.133 0 1 HKAF CCCCCCc1cc2cc(Br)ccc2n1C(=O)C[C@@H](C)CC(=O)O 103270848 AEVIWUPAAFUWFT-CQSZACIVSA-N 408.336 5.668 0 1 HKAF CCOc1cc([C@@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)ccc1O 104040565 GWIVPCWNONLISQ-DEOSSOPVSA-N 406.526 6.279 0 1 HKAF COc1cccc(-c2ncc(Nc3ccc(C)cc3C(=O)O)cc2C(F)(F)F)c1 113898534 QQPIDLRKALGERB-UHFFFAOYSA-N 402.372 5.526 0 1 HKAF CC(C)=CC[C@@H]1C(=O)c2c(O)cc3c(c2O[C@@H]1c1ccc(O)cc1O)C=CC(C)(C)O3 138700184 QSQBJRRFAIOANT-UZUQRXQVSA-N 422.477 5.277 0 1 HKAF Cc1ccc(-c2c([C@H](OC(C)(C)C)C(=O)O)c(C)nc3cc4c(cc23)CCCC4)cc1 140446564 NWMYEMJIPIXUNW-VWLOTQADSA-N 417.549 6.338 0 1 HKAF COc1ccc([C@H]2N(c3ccnc(N[C@@H](C)c4ccccc4)n3)C(=O)OC2(C)C)cc1 142120717 LVPITHJLZOMCTJ-HRAATJIYSA-N 418.497 5.135 0 1 HKAF COc1ccc(SN2CCC3(CC2)O[C@@H](c2ccccc2)c2ccccc23)cc1 142241609 PJKLYEKOTOIPST-DEOSSOPVSA-N 403.547 5.813 0 1 HKAF Cn1c(=O)n(-c2ccccc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21 169354037 IUJVBIWWQVRBDT-UHFFFAOYSA-N 402.457 5.093 0 1 HKAF COc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(C(C)(C)C)cc1 169696770 JXQLSSXSIXTLMR-QFIPXVFZSA-N 417.553 5.763 0 1 HKAF CCCC[C@@H](CC)OC(=O)[C@@H]1CCC[C@@H](NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 169728066 DHMWTPQCLPNDHA-LGCKAOJASA-N 418.622 5.325 0 1 HKAF CC(C)CNc1cc(-c2ccccc2)cc2c1ncn2-c1ccc(C(=O)NC2CC2)cc1 203530555 WFQNVXVCPSPGPD-UHFFFAOYSA-N 424.548 5.653 0 1 HKAF C/C=C(/C)C(=O)O[C@H]1C[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@@H](C)[C@H]1OC(=O)/C(C)=C\C 238773681 VFXPFKHNRXPZTI-BEJBUBDISA-N 414.542 5.105 0 1 HKAF CN1CCCCCCCCCC(=O)OC[C@@H]2[C@H](C[C@H]3CC[C@H]2N3C)c2ccc1cc2 253674200 GFWKSCDPOYKBDG-ZGFBMJKBSA-N 412.618 5.367 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1[C@H](O)C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C 299850543 UYOSSIFSBNNKRC-HMVKDUSLSA-N 420.678 5.410 0 1 HKAF Cc1ccc(-n2cnnc2SCc2nc3ccc4c(c3[nH]2)CCCC4)cc1Cl 586968533 STNRMAUGQDZZTJ-UHFFFAOYSA-N 409.946 5.277 0 1 HKAF COc1cc(Cl)cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1OC 586984690 AQDPMHKGWRHDPV-UHFFFAOYSA-N 417.848 5.489 0 1 HKAF Fc1cc(F)c2[nH]c(-c3ccccc3OCc3ccc(Br)cc3)nc2c1 586999296 YNDOFLAJIVXTHA-UHFFFAOYSA-N 415.237 5.850 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(F)c(F)c5[nH]4)c23)cc1 587038565 PGBGELCAAVFTNF-UHFFFAOYSA-N 424.501 6.114 0 1 HKAF Fc1cnc(Cl)c2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc12 587070045 QGOGWVMYASTILG-VBKFSLOCSA-N 412.295 6.577 0 1 HKAF COC(=O)c1cc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2c(F)c1Nc1ccccc1 587090029 KSMSLMJGVZAWTC-INIZCTEOSA-N 419.737 5.156 0 1 HKAF Cc1ccc2c3c(cc(-c4c(O)nc5ccccc5c4O)nc13)-c1ccccc1C2=O 587095957 DHHKXFGYHDFNAH-UHFFFAOYSA-N 404.425 5.381 0 1 HKAF CCOC(=O)[C@@H]1C[C@@H](C(C)(C)C)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587107289 RSHUQHRYAKFDLD-MGPUTAFESA-N 413.517 5.701 0 1 HKAF FC(F)(F)Sc1ccc(/C=C/c2nc3cncc(Br)c3[nH]2)cc1 587123832 HITWVVPBXXXKEZ-ZZXKWVIFSA-N 400.223 5.503 0 1 HKAF CC[C@@]1(c2cc(F)c(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331171 ITSYRPHJQDTYOW-OFNKIYASSA-N 416.370 5.613 0 1 HKAF COc1ccc(CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587347008 DIKWRMUYZDFHFI-ZCYQVOJMSA-N 406.453 5.290 0 1 HKAF CCOC(=O)[C@@H]1CCCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587362306 JAJPDVIFTOTRBZ-LJQANCHMSA-N 401.462 5.640 0 1 HKAF COc1cccc(-c2cc(-c3nc4cc(C)ccn4c3C)nc3c2oc2ccccc23)c1 587364331 TXQJEYHUIWQXJC-UHFFFAOYSA-N 419.484 6.588 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccc(F)c(F)c1)(c1ccc(Cl)cc1)O2 587385321 MZTZMIFJUCVRFT-QHCPKHFHSA-N 413.851 5.612 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4C)nc1-c1ccccc1)[C@@H](C2)C3=O 587432068 MKIJOCJPBBMVBY-CCLHPLFOSA-N 422.484 5.345 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc4cc(O)ccc4c1)[C@@H](C2)C3=O 587453002 WKBFUJVATCDUOQ-WNCULLNHSA-N 408.453 5.245 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(N)cc1)(c1cc3ccccc3o1)CC2=O 587473223 RGVLDLRZRZRFMV-SANMLTNESA-N 413.473 5.582 0 1 HKAF O=C1C[C@@H](c2cc(-c3ccc(Br)cc3)no2)Oc2c1ccc1c2CCCC1 587495545 DAKLYVKJYWPJOV-FQEVSTJZSA-N 424.294 5.689 0 1 HKAF O=C(O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1F 587501425 BOYLTQUPLMWKCQ-DEOSSOPVSA-N 416.448 5.776 0 1 HKAF O=C1C[C@H](c2ccc(F)c(OCc3ccccc3)c2)Oc2c1ccc1c2CCCC1 587508493 VXTKEZQQWRWCRH-XMMPIXPASA-N 402.465 5.990 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CF)c1ccc(C(F)(F)F)cc1 587550185 UFIQPDKGEDHFOA-WIYYLYMNSA-N 418.342 5.238 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC1(CCc3ccccc31)CC2 587602266 HGYLRVVCWUMGDS-IVINKASTSA-N 412.485 5.551 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccccc1Br 587626849 XVHSMENIFMXXEH-UHFFFAOYSA-N 422.166 6.943 0 1 HKAF COC(=O)C(=O)c1c(-c2c(Cl)ccc(F)c2Cl)[nH]c2ccc(F)c(Cl)c12 587629510 SVOOQOZSKNOKFR-UHFFFAOYSA-N 418.610 5.429 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cc(Cl)ccc3n2)N1 587695239 IZVYIOPFSYSKCS-GIGQVBGESA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OC(F)(F)F)c2)N1 587721392 PTFUEOVBVKRKMV-QGHHPUGFSA-N 418.228 5.285 0 1 HKAF Cc1ccc(C)c(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587753840 JXZITUVDEYOYHZ-QRQCRPRQSA-N 413.334 5.619 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccccc1N(C)c1ccccc12 587767407 IXRBCVWPUIFUHM-AWEZNQCLSA-N 423.329 5.496 0 1 HKAF Cc1ccc(-c2cnc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)c(C)c1 587774947 OOOUBJBKOGYADH-XCLFUZPHSA-N 415.306 5.484 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N)cc2)(c2cccs2)N1 587856026 XLCBXCYBKZVNQN-ODXCJYRJSA-N 417.347 5.058 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)c1cc(Br)ccc1NC21CC1 962955114 RTKGKSHXILLRFA-JLCFBVMHSA-N 408.343 5.056 0 1 HKAF C[C@H](OCc1ccccc1)[C@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962955915 MIDPOWPTFCCAQY-HRAATJIYSA-N 405.460 5.003 0 1 HKAF Fc1cccc2c1[C@H](c1c(-c3ccc(Cl)cc3)[nH]c3ccccc13)N1CCC[C@@H]1C2 963093283 BIJYGQUFFKMANA-NIYFSFCBSA-N 416.927 6.737 0 1 HKAF COC(=O)c1ccccc1-c1cccc([C@@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)c1 963094686 CNMVJEDLAAAHIG-CUNXSJBXSA-N 415.508 5.563 0 1 HKAF Nc1c2c(cc3c1[C@@H](c1ccc(F)cc1)c1c(n[nH]c1-c1ccccc1)O3)CCCC2 1772590103 OETCXUOEVYMOGV-OAQYLSRUSA-N 411.480 5.963 0 1 HKAF O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2[C@@H]1c1ccc(O)nc1 1857599802 MWCKXDDCNSVXSP-SFHVURJKSA-N 420.321 5.335 0 1 HKAF CC[C@H](C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(C)C 2356397634 PKXVFQDVNGNKNY-XEONIPHPSA-N 424.669 7.188 0 1 HKAF CC(=O)OCc1cc(O)c2c(c1)[C@H]([C@H](C)CCC=C(C)C)C[C@@H](OC(C)=O)[C@@H]2C 2356522967 AXMCHASUBUDAKX-UOQCWDFBSA-N 402.531 5.360 0 1 HKAF CN(C)CCCn1ccc2cc3c(Nc4cccc(Br)c4)ncnc3cc21 3815208 KSESIAIRSPHRBJ-UHFFFAOYSA-N 424.346 5.042 0 1 HKAF CCCc1[nH]c(-c2[nH]c3ccc(Cl)cc3c2S(=O)(=O)c2ccccc2)nc1C 5883337 DHZUAVLIRKWSQR-UHFFFAOYSA-N 413.930 5.305 0 1 HKAF C[C@H](CCC(=N)N)[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 6491630 WBHVVSCLCCZPGX-YMURRSSUSA-N 414.678 6.449 0 1 HKAF Cc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccccn2)C1 8624087 UCGWWVZETCAYNO-IFMALSPDSA-N 400.570 5.384 0 1 HKAF biogenic COc1c(CC=C(C)C)c(O)c(CC=C(C)C)c(CCc2ccc(O)cc2)c1C(=O)O 13328348 FAVCEKHTYIFESZ-UHFFFAOYSA-N 424.537 5.607 0 1 HKAF biogenic Cc1ccc2cc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc45)CC3)sc2c1 13490087 IKEGNVUTXPMWNG-FQEVSTJZSA-N 420.578 5.310 0 1 HKAF COc1cc(O)c2c(c1Cc1ccc(O)cc1)CCc1c-2ccc2c1C=CC(C)(C)O2 14713482 OBAJVJGJCGPZCJ-UHFFFAOYSA-N 414.501 5.647 0 1 HKAF biogenic CC/C(=C(\Cc1ccccc1)c1ccc(OCN2CCOCC2)cc1)c1ccccc1 26018558 GCIJSLJHBWLUPD-DQSJHHFOSA-N 413.561 5.919 0 1 HKAF C[C@@H](c1ccc(O)cc1Br)[C@@H](C)c1ccc(O)cc1Br 27895428 MYRAVULWQNMPHD-NXEZZACHSA-N 400.110 5.530 0 1 HKAF CC[C@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(Cc4ccccc4)oc3C)ccc21 28565424 PRGLXNBASSGNQE-JTHBVZDNSA-N 419.521 5.336 0 1 HKAF CCCCCn1cc(C(=O)NC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)c(=O)c2cnccc21 28864734 LSENZBIVROPMEM-WNPZUFKQSA-N 421.585 5.066 0 1 HKAF COCc1c(C(=O)OC(C)C)ncc2[nH]c3ccc(Oc4ccc(Cl)cc4)cc3c12 30691490 ZJUVWPFQSQLERH-UHFFFAOYSA-N 424.884 5.873 0 1 HKAF in-man O=C(c1cc2c(NCc3ccccc3)cccc2[nH]1)N1CCC(Cc2ccccc2)CC1 35259618 BYYYCCMZQBSJSQ-UHFFFAOYSA-N 423.560 5.875 0 1 HKAF Cc1cccc(C2(N3CCC4(CC3)C(=O)NC[C@@H]4c3ccc(F)cc3)CCCCC2)c1 36222071 AHHHFIOUWFYJQZ-XMMPIXPASA-N 420.572 5.289 0 1 HKAF CC(C)OP(=O)(NCC(=O)Nc1ccc(/C=C/c2ccccc2)cc1)OC(C)C 40865823 GOOABLQPYPTPMB-ZHACJKMWSA-N 416.458 5.343 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)cc3)nc12 45191892 LBDDIMMHSCNLDO-UHFFFAOYSA-N 424.548 5.031 0 1 HKAF Cc1[nH]c(C)c(-c2ccc(CCc3ccc(C(F)(F)F)cc3)nc2)c(=O)c1Cl 45210062 XZBGAEGFPVSFBW-UHFFFAOYSA-N 406.835 5.511 0 1 HKAF Clc1ccc(Cn2cc(-c3coc(-c4ccc(Cl)cc4)n3)c3ccccc32)cc1 49054717 XLJKFKSXDRFDAK-UHFFFAOYSA-N 419.311 7.318 0 1 HKAF Clc1ccc(OCc2ccccc2-c2nnc(Cc3cccnc3Cl)o2)cc1 64447173 NBFUVVTWSYCTRW-UHFFFAOYSA-N 412.276 5.608 0 1 HKAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2cccc(C)c2)C1 82145672 OATQFTOAGDZMEU-PMACEKPBSA-N 420.601 5.847 0 1 HKAF Cc1ccc(-c2nc3c(NC4CCCCCC4)ncnc3n2CCN2CCCCC2)o1 82189919 VXBZFJZYIBBNPF-UHFFFAOYSA-N 422.577 5.015 0 1 HKAF c1ccc(N(c2ccccc2)c2ccc(-c3ccc(Cn4ccnc4)cn3)cc2)cc1 84619937 WRBQZTNJBFTNGV-UHFFFAOYSA-N 402.501 6.463 0 1 HKAF CC(C)CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1cccnc1 100703475 VMASCLVASYCFQY-QGZVFWFLSA-N 424.570 5.566 0 1 HKAF COc1ccc(-c2noc([C@@H]3[C@@H](c4ccc(Cl)cc4)C[C@@H]4CC[C@@H]3N4C)n2)cc1 100751725 UHKLODIEZLNQLP-FYZZASKESA-N 409.917 5.133 0 1 HKAF COc1cc(/C=C/c2ccc(OCCCN(C)Cc3ccccc3)cc2)cc(OC)c1 103299361 YHXMXOIXOYVPAO-ZHACJKMWSA-N 417.549 5.775 0 1 HKAF COc1ccc(N2C(=O)Nc3cc(OC)c(OC)cc3[C@H]2c2ccc(Cl)cc2)cc1 118795048 UXMFFRFGEASXKL-JOCHJYFZSA-N 424.884 5.507 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)CCC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 140360374 DLEIYVDJTDXZOP-ASDADGTLSA-N 410.730 9.198 0 1 HKAF CC1(C)O[C@H]2C3=C([C@H]2O1)[C@@H](c1ccccc1)[C@H](CCc1ccccc1)/C=C/C=C/3CO 169296006 CFKPGEPVQJMZJF-LQUVVEBZSA-N 414.545 5.338 0 1 HKAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(-c2ccc(SC)cc2)s1 169372056 DKEAXYAQHUXDHX-GEKYMRBXSA-N 411.592 5.176 0 1 HKAF Fc1cccc(COc2cccnc2NC(=S)Nc2cccc3ccccc23)c1 207043415 NNIAETQTMIQCNK-UHFFFAOYSA-N 403.482 5.762 0 1 HKAF CC(=O)OC[C@H](O)COC(=O)C[C@H](C)CC[C@@]1(C)C2=CCCC(C)(C)[C@@H]2CC[C@H]1C 238753614 ZDOKOBAWCCHHEY-NCEZIRKJSA-N 422.606 5.059 0 1 HKAF CC(C)c1ccc(C[C@@H]2C[C@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(C(C)C)cc32)cc1 238777544 YNDIZZUNLKBRKP-ACHDSSIZSA-N 418.665 8.453 0 1 HKAF Cc1cc(O)cc2c1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H]1O[C@]3(CC[C@@H](C)CO3)[C@@H](C)[C@@H]12 238787877 SOJHOFMFPXJBPI-SLUSLEDUSA-N 410.598 5.961 0 1 HKAF CC(C)=C/C=C\[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C 255227405 LOYCURYJAXOHHB-XPYROQSCSA-N 422.697 8.153 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@H]1CC3)C(C)C 255283452 YCBMXIIYHMNHDU-KCTRDMNUSA-N 414.718 8.169 0 1 HKAF CC1=C(/C=C\C(C)=C/C=C\C(C)=C\CNCCCC[C@H](N)C(=O)O)C(C)(C)CCC1 263620438 FSIGCSBKSBDRLV-RAXDLNIOSA-N 414.634 5.690 0 1 HKAF in-vitro C[C@@H]1[C@H](c2ccccc2)O[C@@H](c2ccccc2)C[C@]12NC(=S)NN2c1ccccc1 299846086 HXGODZIWQXKTCE-FQESCDNSSA-N 415.562 5.121 0 1 HKAF CCC(C)(C)c1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)cc1 586881861 ZWEHLWKDURHXKR-UHFFFAOYSA-N 422.164 6.443 0 1 HKAF CCCOc1cc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2cc1Br 586898624 QMHOQFLGLQUMKQ-UHFFFAOYSA-N 401.304 5.366 0 1 HKAF COC(=O)c1cccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 586998716 ODKMEFAMRAISHW-ZRDIBKRKSA-N 423.266 5.542 0 1 HKAF Oc1nc(S)nc2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc12 587010942 JYKGKMZXIFQLBA-UHFFFAOYSA-N 412.521 5.114 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587012077 NETDOWGQXMVPSF-UHFFFAOYSA-N 423.973 5.067 0 1 HKAF Clc1cccc(-c2cc(-c3nc4cc(OCc5ccccc5)ccc4[nH]3)n[nH]2)c1 587068279 OTVHPHFEWHHURM-UHFFFAOYSA-N 400.869 5.852 0 1 HKAF FC(F)(F)c1cccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 587081536 PMBQVYWNPLSYSK-UHFFFAOYSA-N 413.790 5.612 0 1 HKAF Cc1c(-c2ccc(F)c(C(F)(F)F)c2)nc2cccc3c2c1-c1ccccc1C3=O 587103846 LZOCVVOLNDXTEF-UHFFFAOYSA-N 407.366 6.580 0 1 HKAF COc1ccc([C@H]2CC(=O)Cc3nc4cccc5c4c(c32)-c2ccccc2C5=O)cc1 587107915 XINXBVPTHIFGQL-OAQYLSRUSA-N 405.453 5.102 0 1 HKAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c(F)c2)c1 587138408 HQELNKXFZUAFLA-UHFFFAOYSA-N 420.202 5.575 0 1 HKAF Fc1ccc(-c2ccccc2-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1F 587145558 MMABVQGJHGDLRC-UHFFFAOYSA-N 408.757 6.847 0 1 HKAF Cc1nc(-c2cnccn2)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208154 MGKOXXGNCUCAJC-UHFFFAOYSA-N 406.470 5.335 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCc3cc(Cl)ccc3C2)[C@@H]1c1ccc(F)cc1 587330067 MYAYGZXIQIKCRG-VWNXMTODSA-N 408.856 5.471 0 1 HKAF CCC[C@]1(c2cc(C)sc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587377193 QXRJSTQGJFDDSC-ISKFKSNPSA-N 410.510 6.264 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2nccs2)[C@@H]1c1ccc(F)cc1 587377464 RNPHXWQPSXGEIQ-ZJSXRUAMSA-N 417.461 5.291 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4ccc(F)cc4)cc1)[C@@H](C2)C3=O 587427976 KRBYARKEJLEHQV-OFVILXPXSA-N 404.437 5.076 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(C)cc1OCc1ccccc1)[C@@H](C2)C3=O 587444348 SQWZCSRJUPWFPR-HFZDXXHNSA-N 400.474 5.245 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3nc4ccccc4n3C)o1)CC2=O 587475056 KRQPNRRLPYPFNA-JOCHJYFZSA-N 402.450 5.198 0 1 HKAF O=C1C[C@H](c2cc(F)cc(I)c2)Oc2c1ccc1c2CCCC1 587502015 DMJVRYKXGMQYOI-GOSISDBHSA-N 422.237 5.016 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCC2)cc1Cl 587541879 GOKWMOSQMKQMMF-QPPBQGQZSA-N 421.880 5.349 0 1 HKAF CC[C@H](C)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587544093 LMQPGLNMKVDPES-KLGSUFROSA-N 424.880 5.926 0 1 HKAF COc1ccc(Br)cc1-c1[nH]c2cc(Cl)c(F)cc2c1CC(=O)O 587628054 GPNJBIFLTQBJKW-UHFFFAOYSA-N 412.642 5.026 0 1 HKAF CCOC(=O)C(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccc(F)c(Cl)c12 587630110 RYBIJKJNCRSBLN-UHFFFAOYSA-N 413.754 5.392 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3Br)c(-c3ccccc3F)c2c1 587640051 BJNCPEBUAGCKBI-OAHLLOKOSA-N 422.341 7.917 0 1 HKAF Cc1c(Cl)ccc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)[nH]c12 587698883 QMXSYEOVXDAYPS-ZRNGKTOUSA-N 407.714 5.655 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC2CC2)(c2ccc(Cl)cc2)N1 587699382 KPBVBKXJRVCUPH-FKIZINRSSA-N 408.742 5.820 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(F)(F)F)cc2)N1 587709531 AWTFWRJBTOVPFB-BTDLBPIBSA-N 418.228 5.153 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(Cl)c(Cl)c2)N1 587715992 CYNZYHAZQMQNMG-HYORBCNSSA-N 407.085 5.658 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(OC(F)(F)F)c2)N1 587718611 JBSYYPMWNKZQSZ-BCTVWOGZSA-N 422.191 5.250 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc(F)c(Cl)c2F)N1 587719380 LEGUKPOEYSZAMA-KXHHVGMCSA-N 408.620 5.283 0 1 HKAF Cc1ccc(-c2nc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)co2)cc1 587772328 FMMBXOSENDBCSP-HXPMCKFVSA-N 401.279 5.175 0 1 HKAF COc1cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2cn1 587784111 LLNABPHKTANMOO-UHFFFAOYSA-N 421.500 5.803 0 1 HKAF Cc1cc(C(C)(C)C)cc(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587816684 ZXLZQEPUNQHRTG-WNSKOXEYSA-N 418.394 6.300 0 1 HKAF Cc1ccc(C2(c3ccc(C)o3)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587831438 WSYUMHHXYMHTOT-NSHDSACASA-N 404.279 5.217 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)COC(C)(C)O3)N1 587832452 JUOLTLIPJQSVOA-LAJNKCICSA-N 420.322 5.031 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCCC3)Oc3ccccc32)N1 587837772 KZZIHIXLCABKOQ-RCDICMHDSA-N 416.334 5.461 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(-c2ccccc2)nn1 587860201 OAGPLAXCVHXWLM-UHFFFAOYSA-N 411.292 5.702 0 1 HKAF O=C(c1ccc(OCc2cccc(F)c2)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587874056 SMKCIWGVNUVMTG-UHFFFAOYSA-N 404.372 5.202 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c(C)nccc2[nH]1 587958219 CGNSVZCGWLSAGM-XKPMTSFDSA-N 417.641 8.121 0 1 HKAF C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587963683 QKDDZPOWEGYPFM-HIFRSBDPSA-N 413.315 5.062 0 1 HKAF Cc1c(F)ccc2c1[C@@]1(NCC2)c2ccccc2-c2nnc(-c3ccc(F)cc3)cc21 962299393 NKDJSJRNDHSZML-AREMUKBSSA-N 411.455 5.148 0 1 HKAF Fc1ccc([C@@]2(C3CCC3)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1F 962696867 GYPFSEKDYHRURA-SBUREZEXSA-N 403.513 5.511 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]12C=C(c1cccc(O)c1)Oc1ccc(O)cc12 963228200 KZJKDSFHKKDWPY-XRHLQHRESA-N 413.517 5.432 0 1 HKAF Cc1onc(-c2ccc(F)cc2)c1[C@@H]1c2cccc(Br)c2CCN1C 963271892 WYBIUNJPYYAFMR-FQEVSTJZSA-N 401.279 5.129 0 1 HKAF O=C(c1n[nH]c2cc(Cl)ccc12)N1CCC(c2ccccc2C(F)(F)F)CC1 1857546464 ZYHJGKAVEBWFFB-UHFFFAOYSA-N 407.823 5.255 0 1 HKAF CC=C(C)[C@@H](O)[C@@H](C)C=CC=CCC(C)=CCc1nc(OC)c(OC)c(O)c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c1cc(O)c(CC=C(C)CCC=C(C)C)c2c1[C@@H]1Oc3cc(O)ccc3[C@@H]1CO2 2356697138 KQOZBCGTGONGDN-RXFWQSSRSA-N 422.521 5.951 0 1 HKAF COCCNc1nc(-c2ccc(OC)cc2C)c2sc(-c3ccccc3)cc2n1 61925496 UVUOLVODFSRFBH-UHFFFAOYSA-N 405.523 5.401 0 3 HKAF CC[C@H](CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118913778 LGJMUZUPVCAVPU-ADFZJWFNSA-N 416.734 8.105 0 3 HKAF in-vitro Cc1ccc(O)c(Cc2nc3ccccc3nc2-c2cccc(Br)c2)c1 1662719 ILCFJGMKNNNZAE-UHFFFAOYSA-N 405.295 5.664 0 1 HKAF c1ccc2c(N3CCCCCC3)nc(CN3CCCC[C@@H]3c3nccs3)nc2c1 11995970 LNQUTXDBNSTLOD-HXUWFJFHSA-N 407.587 5.194 0 1 HKAF C[C@@H]1CSC2=C1c1c(O)cc([C@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C 13455737 CDHDXFFFAFVYKB-HZPDHXFCSA-N 412.570 6.923 0 1 HKAF CN(C(=N)N(c1ccccc1)c1cccc2ccccc12)c1cccc2ccccc12 13733799 AKEBYRRJXWLQGY-UHFFFAOYSA-N 401.513 7.202 0 1 HKAF CCCn1nc(C(C)(C)C)cc1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13761009 RTRDIAQDXUIRDM-UHFFFAOYSA-N 400.530 5.029 0 1 HKAF CC(C)CC[C@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O 26260186 FKOCLCFKCVBEKI-LJQANCHMSA-N 410.514 5.023 0 1 HKAF CCOc1c(-c2cnc3ccc(/C(C)=C/C(=O)O)cn23)cc(C(C)C)cc1C(C)C 26658604 CZIPWDFUYKXIJA-LICLKQGHSA-N 406.526 6.135 0 1 HKAF Cc1cccc2c1CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]2CN1CCCC1 26744201 QLBHOYNULDLWQQ-JOCHJYFZSA-N 417.380 5.066 0 1 HKAF Cc1cc2c(cc1C(=O)c1ccc(SC(=O)N(C)C)cc1)C(C)(C)CCC2(C)C 27108900 IGDSBCJHCYTQCV-UHFFFAOYSA-N 409.595 6.349 0 1 HKAF C[C@H](C(=O)OCCc1ccccn1)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27559980 MSITXWHXNVQEKN-HQRMLTQVSA-N 409.551 5.066 0 1 HKAF CNc1ccc(/C=C/c2ccc(-c3nc4ccc(OCCCF)cc4o3)cc2)cc1 29128566 SGABBELFHUGQNZ-ONEGZZNKSA-N 402.469 6.445 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1C(=O)CC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C 34513601 LAFDOVHKCATTMZ-CJSGPBEFSA-N 410.642 7.129 0 1 HKAF FC1(F)CCN(CCc2ccc(C3=CC[C@@H]4CN(Cc5ccccc5)C[C@@H]34)cc2)C1 36289114 ARXINUPRMISVLG-ILBGXUMGSA-N 408.536 5.105 0 1 HKAF COc1ccc(Cl)cc1Nc1nc(-c2cccc(NC(=O)C(C)(C)C)c2)cs1 40430635 LSOWBTNAWOGQOI-UHFFFAOYSA-N 415.946 6.200 0 1 HKAF CCCN(CC1CC1)C(=O)c1c(C)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12 49052728 BFIZLQDLVNGPIV-UHFFFAOYSA-N 412.965 5.274 0 1 HKAF COc1ccc(Cc2cnc(CCc3ccc(-c4ccccc4C(=O)O)cc3)[nH]2)cc1 49089158 CXKIPYCVARNYCW-UHFFFAOYSA-N 412.489 5.160 0 1 HKAF CC1=Nc2ccc(Cl)cc2[C@H](c2ccc(Cl)cc2)N1CCN1CCCCC1 72123133 VJOLHYVXOROYEL-QFIPXVFZSA-N 402.369 5.934 0 1 HKAF Cc1cn(-c2ccc(Nc3nc4c(s3)CCC[C@H]4c3ccccc3)cc2F)cn1 73196302 QYUHVBYDLCRTAW-SFHVURJKSA-N 404.514 5.988 0 1 HKAF Cc1ccc(Sc2ccc(O)cc2)c(Nc2ncnc3nc(C(C)(C)C)ccc23)c1 73294318 VUXNBHDGIAYONI-UHFFFAOYSA-N 416.550 6.231 0 1 HKAF CCCCc1ccc(-c2cc(NCc3ccc(F)cc3C(F)(F)F)ncn2)cc1 82167610 XVUPZUVNJGWMHZ-UHFFFAOYSA-N 403.423 6.256 0 1 HKAF CCCCCn1c(CCC)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 82189403 SHEQSIWQROLKAY-UHFFFAOYSA-N 420.388 5.930 0 1 HKAF CC[C@H](C)[C@H](Nc1nc(-c2ccccc2C)cs1)C(=O)NCc1ccc(F)cc1 82195217 JODCYDIKQNBVEV-BTYIYWSLSA-N 411.546 5.401 0 1 HKAF O=c1c2ccccc2n(Cc2ccccc2-c2ccccc2)c(=O)n1CC1CCCCC1 95561624 ACIDIWFRYWFXAI-UHFFFAOYSA-N 424.544 5.459 0 1 HKAF CC[C@H](CO)Oc1cc(NC(=O)c2ccc3ccccc3c2)c2ncn(C(C)C)c2c1 95771728 HTPLCKIZRPSBAR-HXUWFJFHSA-N 417.509 5.172 0 1 HKAF CCCc1ccc(C(=O)Nc2cc3nc(C4CCCCC4)[nH]c3cc2N(C)C)cc1 103255796 BESJCRUOAWMZKJ-UHFFFAOYSA-N 404.558 5.881 0 1 HKAF O=C(O)/C=C/c1ccc(/C(=C(\c2ccccc2)C2CC2)c2ccc3[nH]ncc3c2)cc1 114545471 PJDVFPIUHUIHIO-KEZKVWRLSA-N 406.485 6.030 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1nnc(-c2cccnc2)o1 118921543 KXFYVEDHJGTOHV-MKPDMXAPSA-N 419.569 5.539 0 1 HKAF CC(C)C/C=C\[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 153406400 NFWKUHWWUWPAOU-UCRKNXMASA-N 414.630 5.747 0 1 HKAF COC(=O)[C@H]1[C@H]2CC[C@@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(OC)cc2)s1)C3 169369482 MJYUGDRYDHXYRF-ZDZANEKOSA-N 423.578 5.101 0 1 HKAF C/C=C(\C)C(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H](CC/C(C)=C\C(=O)O)C(C)=CC[C@@H]12 238740566 BSBLTGZOARUDJS-IEQHTBLISA-N 402.575 6.086 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](N)C=C4C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@]21C 299808602 WLHQSAYHIOPMMJ-ZQZWCTIGSA-N 401.679 6.326 0 1 HKAF CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2cccnc2)cc1 299861637 INAIWEFOXIQSBT-AYRHNUGRSA-N 413.565 5.259 0 1 HKAF NC1(CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)c2ccc(-c3ccccc3)cc2)CCCC1 299870064 VUASRBBKSZIXHO-IZZNHLLZSA-N 410.561 5.762 0 1 HKAF COC(=O)c1cc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c(F)c1Nc1ccccc1 586882953 DEMORYCAFHQPRE-KRKZIPSHSA-N 419.500 5.700 0 1 HKAF FC(F)(F)Oc1cc(Br)c2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2c1 586883994 FZFGBUHXPZINPE-FZKQIMNGSA-N 423.232 5.596 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3ccnc(Br)c3Cl)nc2c1 587005385 GQNCKSDLSPKERP-UHFFFAOYSA-N 401.489 5.112 0 1 HKAF Brc1ccc2cc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)cn2c1 587006500 ORBPLXHRIMAWAY-UHFFFAOYSA-N 420.335 6.396 0 1 HKAF Cc1nc(-c2c[nH]cc2-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cs1 587021811 RSZPSIHTONRSPS-UHFFFAOYSA-N 413.531 6.267 0 1 HKAF FC(F)(F)c1c(Br)ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c12 587024750 BNIFXCCNOXAIFS-UHFFFAOYSA-N 423.257 6.740 0 1 HKAF CC(=O)c1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1 587068763 YKRXWBIRMZFPMB-UHFFFAOYSA-N 402.841 5.532 0 1 HKAF COC(=O)c1ccc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2n1 587072022 ORFVQLOIFPJZOB-ZQVQTSOTSA-N 416.308 5.417 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1cccc(C(C)C)c1OCC4)-c1ccccc1C2=O 587102558 XOEPRMZMWQGUFW-UHFFFAOYSA-N 405.497 6.480 0 1 HKAF CCN(C)C(=O)Oc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587103475 HREKXUBDGJRJEU-UHFFFAOYSA-N 408.457 5.564 0 1 HKAF O=C(c1cnn2c1NC(=C1CC1)C=C2C(F)(F)F)c1coc2ccc(Cl)cc12 587278638 PRYLATCREQMGOU-UHFFFAOYSA-N 405.763 5.390 0 1 HKAF C[C@]1(C(=O)c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330102 NDAIYAASBIYCKN-OFNKIYASSA-N 410.828 5.185 0 1 HKAF CC(C)(C)Oc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587344429 CMEOJZDMYIXDMG-JYFHCDHNSA-N 420.480 5.983 0 1 HKAF COc1cccc(-c2cc(-c3cnc4nncn4c3C)nc3c2oc2ccccc23)c1 587362554 HCQPKBPBXSGREB-UHFFFAOYSA-N 407.433 5.070 0 1 HKAF COc1cccc(-c2cc(-c3c(C)cc(C)c(C=O)c3C)nc3c2oc2ccccc23)c1 587364486 BONBTFNFDSLMGS-UHFFFAOYSA-N 421.496 7.061 0 1 HKAF COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccccc1 587401819 YPGDRSJZXHVIGH-RUZDIDTESA-N 403.478 5.045 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(F)(F)F)cc1Cl)CC2=O 587464249 MHCRZUVPMZWFSP-QGZVFWFLSA-N 400.780 5.603 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccc(F)cc1)(c1ccc(OC)cc1)CC2=O 587467202 OYEYTLVOUFXIQK-AREMUKBSSA-N 420.480 5.596 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCc1ccccc1F)CC2=O 587467251 PQMZKQQFVRPKHX-XMMPIXPASA-N 406.453 5.769 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](OCC)c1ccccc1)CC2=O 587478593 KBLNVEFJODDBBL-RRPNLBNLSA-N 416.517 5.983 0 1 HKAF O=C1C[C@@H](c2ccccc2-c2ccccc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587504068 DYLUETQNHKAJEC-DEOSSOPVSA-N 422.446 6.958 0 1 HKAF COc1ccc(-c2nc3ccccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587515105 KZKPMDZJTOMGMA-QHCPKHFHSA-N 424.500 5.595 0 1 HKAF CCCOc1cc2nc(COc3ccc(C)cc3OC)[nH]c2cc1Br 587564518 VBBLFKCUABSFHX-UHFFFAOYSA-N 405.292 5.010 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2ccccc2F)c1 587569165 PGYOMJPXGLFHOW-BVAGGSTKSA-N 412.416 5.901 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccco1)c1ccc(Cl)s1 587614090 RAALWNCUXORSLY-KNQAVFIVSA-N 424.861 5.606 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccccc3nc2Cl)N1 587703758 HFTIBUFYZYTYPL-YPMLDQLKSA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2C(F)(F)F)N1 587711265 JHCFDDRSFQXYOI-QGHHPUGFSA-N 402.229 5.405 0 1 HKAF Cc1cccc(-n2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1C 587754795 MTNXSENGYDFOIR-JLCFBVMHSA-N 413.334 5.619 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(-c3ccccc3)cc2)N1 587813713 PJOWIBXCMCSXAV-UPCLLVRISA-N 424.357 6.247 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CSc2ccc(Cl)cc2)N1 587844212 KXDIEHFANMFDBE-ADLMAVQZSA-N 414.771 5.783 0 1 HKAF Cc1sc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587848139 ZXDYXICTRDHTNA-ZIDLFYJRSA-N 419.157 5.344 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1cccc(C)c1 587859229 TWPWIDZTEHBKCM-AWEZNQCLSA-N 419.308 5.672 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1ccccc1F 587860725 FVHXRNXIKZJLHO-UHFFFAOYSA-N 410.392 5.149 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nccc(-c2ccc3ccccc3c2)n1 587871223 DAONOSWVHCLYCF-UHFFFAOYSA-N 410.452 5.687 0 1 HKAF CN(Cc1ccc(CN(C)Cc2ccccc2Cl)nc1)Cc1ccccc1Cl 653834995 XXVWNVHKOWXYML-UHFFFAOYSA-N 414.380 5.652 0 1 HKAF O=C(Nc1ccccc1C(F)(F)F)[C@H]1CCc2ccccc2N1C(=O)c1ccccc1 653840691 ITLWBMPURIFOFS-OAQYLSRUSA-N 424.422 5.306 0 1 HKAF CC(C)[C@]1(c2ccc([C@@H](C)C(=O)O)cc2)c2ccsc2CCN1Cc1cccn1C 962369443 DGSUCDJKILWXOE-CJAUYULYSA-N 422.594 5.233 0 1 HKAF Cc1ccc(N)c([C@]2(c3ccccc3)c3ccsc3CCN2Cc2cccn2C)c1 962402347 ZJDDTKDAUDVANI-SANMLTNESA-N 413.590 5.327 0 1 HKAF CCCCc1ccc([C@]2(c3ccc(C)cn3)N[C@H](CC)Cc3c2[nH]c2ccccc32)cc1 962949327 LMRDADGPMRIAPS-RNWIMVQKSA-N 423.604 6.430 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc3cc(C)ccc3n(CC(C)C)c2=O)N1 962952620 VHEDNNBMTWGYRM-SIBVEZHUSA-N 413.565 5.461 0 1 HKAF Clc1ccc(C2=NN(c3ccccc3)[C@H](c3cccc(Cl)c3Cl)C2)cc1 1772587628 LXVQVLCJMTXPKB-FQEVSTJZSA-N 401.724 7.003 0 1 HKAF O=C(O)c1cc(N(Cc2cccc(Cl)c2)Cc2cccc(Cl)c2)ccc1O 1772649449 MLGNFBHRQCOYRL-UHFFFAOYSA-N 402.277 5.604 0 1 HKAF COc1cc(OC)c(-c2ccc(O)c3c(OC)cc(C)cc23)c2c1C(C)=N[C@@H](C)C2 1857652614 GVGRYGWGGUHNJH-AWEZNQCLSA-N 405.494 5.300 0 1 HKAF O=C(O[C@H]1CCCc2nc(Nc3ccc(C(F)(F)F)cc3)sc21)n1ccnc1 1857655552 ALSMXKVLWJOXMH-AWEZNQCLSA-N 408.405 5.164 0 1 HKAF CC1(C)CCC[C@@]2(C)[C@@H]3CCC4=CN(CCS(=O)(=O)O)C=C[C@@H]4[C@@]3(C)CC[C@H]12 2356786288 ZSXBODHKEIZAKH-DEFAWVEDSA-N 407.620 5.246 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)Cc1cc(O)c(-c2cccnc2O)cc1O 2356791219 GMNLYZMBIUXKNI-RUQDXMQKSA-N 407.554 6.207 0 1 HKAF CCCCCCSc1cccc(-c2nc3cc(C)ccn3c2NC2CCCCC2)c1 36382314 AQQADYUNMOFBRI-UHFFFAOYSA-N 421.654 7.727 0 3 HKAF CC(C)(C)c1ccccc1NC(=O)Nc1nc([C@H](N)Cc2ccc(F)cc2)cs1 61896377 YETITTVEBSOMDS-QGZVFWFLSA-N 412.534 5.466 0 3 HKAF COc1cccc2c(-c3c(O)cc(OC)c4c(C)nc(C)cc34)c(C)cc(OC)c12 1635101 OHJNZUPFOVFQGI-UHFFFAOYSA-N 403.478 5.712 0 1 HKAF biogenic COc1cc(O)cc2c1C(=O)O[C@H]2CCCCC[C@@H]1CCC[C@@]2(CC[C@@H](C)O2)O1 13423824 CZIMFHQXGMXDMO-XKUMEKFISA-N 404.503 5.027 0 1 HKAF CC(C)C1CCC(N2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)CC1 13553194 PWIKMHGXUXTIPG-UHFFFAOYSA-N 403.916 5.857 0 1 HKAF CC(C)=CCN1c2cc(Br)ccc2[C@]2(CC=C(C)C)CCN(C)O[C@@H]12 15217257 NWEUSXXVDOPMJX-RTWAWAEBSA-N 405.380 5.423 0 1 HKAF biogenic CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNCc1ccccc1C(=O)O 26184517 QGQQMIXPCNOORX-RZDMPUFOSA-N 419.609 6.308 0 1 HKAF CCC(=O)N(c1ccccc1)[C@H]1CCN2C[C@H](c3ccccc3)c3ccccc3[C@@H]2C1 27990242 ASBWZSLPLOXCAV-RNJDCESWSA-N 410.561 5.781 0 1 HKAF CN(C)CCC(=O)N1c2ccccc2N2CCc3cccc(c32)[C@H]1C1CCCCC1 28771349 CTNBPRUSMFXLMW-AREMUKBSSA-N 403.570 5.301 0 1 HKAF C[C@H](O)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CC[C@@H]1CC(=O)O 29054406 IOOHYRULMOUFEG-NWDGAFQWSA-N 419.905 5.600 0 1 HKAF CC(=O)Oc1ccc2ccc(=O)oc2c1Cc1c(-c2ccccc2)[nH]c2ccccc12 29062269 KIMQPSNNCFEVPH-UHFFFAOYSA-N 409.441 5.457 0 1 HKAF N=c1sc(-c2ccc(C(F)(F)F)cc2)nn1-c1c(Cl)cc(Cl)cc1Cl 29411691 GPVUMLAFJANUAB-UHFFFAOYSA-N 424.662 6.059 0 1 HKAF O=C1c2c(c(-c3c(F)cccc3F)c3cccnc3c2O)CN1Cc1ccc(F)cc1 38143453 UJQHSSFAJLJAPH-UHFFFAOYSA-N 420.390 5.181 0 1 HKAF Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1CNc1cccc2ccccc12 40564959 SOXAOGRPFYTMOC-UHFFFAOYSA-N 410.300 7.257 0 1 HKAF Clc1ccc(-c2nc(CNC3CCCC3)cn2-c2ccc(Cl)cc2Cl)cc1 43014636 ZZYHNLRXKIZAFQ-UHFFFAOYSA-N 420.771 6.532 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4cccc(CN5CCC[C@@H](N)C5)c4)s3)nc12 45201480 CVWRMZJKAMALSM-LJQANCHMSA-N 402.567 5.190 0 1 HKAF O=C(Nc1ccc(F)cc1)OC[C@@]1(C(F)(F)F)OC(=O)Nc2ccc(Cl)cc21 45302223 STVRTRQYADRHPO-MRXNPFEDSA-N 418.730 5.048 0 1 HKAF CCN(CC)c1cc2[nH]c(C3CCCCC3)nc2cc1NC(=O)c1ccc(C)cc1 66100124 NUWCWJXGLBLMKV-UHFFFAOYSA-N 404.558 6.018 0 1 HKAF CC[C@H](C)Nc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccccc2)n1 82132870 WPGXMDYBPXDVBS-ZRWHEIHHSA-N 406.574 5.155 0 1 HKAF CC1(C)Oc2cc(C(=O)c3cccc(C(F)(F)F)c3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21 84669932 IWXCHAUXLPPNNB-BRWVUGGUSA-N 420.427 5.058 0 1 HKAF CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(F)c2)C2=C(O)CC(C)(C)CC2=N1 103521167 UEMLHWKUCZHOTI-JOCHJYFZSA-N 411.517 6.146 0 1 HKAF COc1cc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)ccc1O 103934960 ULOVYQGZAULFDT-WXTAPIANSA-N 412.489 6.030 0 1 HKAF Cc1c(S(=O)(=O)Nc2cccc(-c3cnco3)c2)sc2ccc(Cl)cc12 114602949 AWNGZAAXPFWDAQ-UHFFFAOYSA-N 404.900 5.319 0 1 HKAF Cc1ncccc1N(CCN(c1cccnc1C)c1cccnc1C)c1cccnc1C 144661823 FGQHWJLZBYWDJW-UHFFFAOYSA-N 424.552 5.477 0 1 HKAF C[C@@H](NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1)C(C)(C)C 145482964 BCJWPWVRSGFHKX-VGOFRKELSA-N 422.594 6.526 0 1 HKAF C[C@H](c1cccc2ccccc12)N1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1 169312134 UZZQOPDUOCMCGD-LJQANCHMSA-N 420.984 5.625 0 1 HKAF O[C@@H](C[C@@H]1CCCCN1)c1cc(Oc2ccc(Cl)cc2)nc2ccc(Cl)cc12 169334314 SMKVAEJSDUSUOF-KKSFZXQISA-N 417.336 5.900 0 1 HKAF O=C(O)c1c[nH]c2cc(Br)c(-c3ccc(-c4ccccc4O)cc3)cc12 216016347 JWSCPUAEMWNWNC-UHFFFAOYSA-N 408.251 5.668 0 1 HKAF Cc1cc(-c2cccc(F)c2)cc(CNc2c(F)ccc(OCC(=O)O)c2F)c1F 218859255 CRRBUKPZWSBXBV-UHFFFAOYSA-N 419.374 5.294 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257785075 ZNGXDHQRMXNICE-PGAJIAHISA-N 402.707 7.859 0 1 HKAF endogenous,in-man C/C=C(\CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 261497585 OSELKOCHBMDKEJ-YHVSQRSQSA-N 412.702 7.945 0 1 HKAF endogenous,in-man Cc1cccnc1Nc1nc2c(s1)CCCc1nc(NC(=O)C(C)(C)C)sc1-2 299828453 JKDXSQANVOUFAS-UHFFFAOYSA-N 413.572 5.187 0 1 HKAF COc1ccc2c(C)c(CCc3nc4ccc(C(F)(F)F)cc4[nH]3)c(=O)oc2c1C 586918492 MMSFWLJKCMPXEB-UHFFFAOYSA-N 416.399 5.099 0 1 HKAF COCCn1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c2ccccc21 586986329 AJTDVYZHWFTXHH-UHFFFAOYSA-N 420.468 5.420 0 1 HKAF FC(F)(F)c1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cc1Cl 587017333 JWRJMGRQASLYCF-UHFFFAOYSA-N 415.227 6.074 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587073751 LHCLPCXETLUMMK-UHFFFAOYSA-N 422.915 7.090 0 1 HKAF FC(F)(F)Oc1cccc(CSCc2nc3cccc(Br)c3[nH]2)c1 587122178 AMDAWWUNZADPEX-UHFFFAOYSA-N 417.250 5.657 0 1 HKAF COc1cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)nn1-c1ccccc1F 587157278 ZPTMZHHWLCWOIS-UHFFFAOYSA-N 416.481 5.715 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)c1 587158605 PWTCRAGUBOVPFU-UHFFFAOYSA-N 402.256 5.670 0 1 HKAF O=C(O)CCC(=O)Cc1c(-c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O 587207275 QBJRYIRRDXKXLZ-UHFFFAOYSA-N 421.452 5.090 0 1 HKAF Cc1cccc(C)c1OC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346613 JUBFBCOQTSMFKE-RDGATRHJSA-N 406.453 5.345 0 1 HKAF CCCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587347007 KMCNPYGOXGLJDS-ILBGXUMGSA-N 406.453 5.594 0 1 HKAF Cc1cc2c([nH]1)CC(C)(C)C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348343 RHASFFIADRZCDY-DHLKQENFSA-N 405.469 5.395 0 1 HKAF CCOC(=O)[C@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C[C@@H]1C 587363738 UAQNYZNQPCHWCY-KXBFYZLASA-N 415.489 5.571 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C(F)(F)F)ccc1C(F)(F)F)O2 587382726 RKINLBJQKFIZBI-KRWDZBQOSA-N 403.322 5.495 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Oc3ccc(F)cc3)cc1Cl)O2 587384924 PTZHMTMPMDCNHX-HSZRJFAPSA-N 411.860 6.043 0 1 HKAF O=C1C[C@H](c2cc(Cl)c(O)c(Br)c2)Oc2c1ccc1c2CCCC1 587500683 UNXSTZHPDSOWBE-QGZVFWFLSA-N 407.691 5.393 0 1 HKAF COc1cccc([C@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587509736 WUIJAPAKSFFDKZ-SANMLTNESA-N 418.920 6.136 0 1 HKAF C[C@]1(c2c(Cl)c(Cl)cc3c2OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587510466 ZAZMKYIQOJFNTK-JOCHJYFZSA-N 419.304 5.524 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1C(F)(F)F 587542745 AZTRRKIMSWXFIF-YLJYHZDGSA-N 420.770 5.767 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cc1C(F)(F)F 587545667 HBALWEFAMWESOT-PXNSSMCTSA-N 404.315 5.253 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2O)cc1 587610099 PNXNNWFUOZTUSF-OZXSUGGESA-N 410.425 5.468 0 1 HKAF Cc1ccc(-c2cncc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 587774618 NAJRHSHPMLFSNY-JLCFBVMHSA-N 411.318 5.582 0 1 HKAF CCC[C@@H](CC1(c2nc3c(C)ccc(C)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781492 KZBWGQJDDMSHQI-QFIPXVFZSA-N 418.581 6.541 0 1 HKAF COc1ccc(C=O)cc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587787632 PKOHURYAOHHXSK-UHFFFAOYSA-N 417.303 5.238 0 1 HKAF CC(C)COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587789864 DDLXAUDNTMSSBW-LHSJRXKWSA-N 406.339 5.421 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)C[C@]1(CC3)N[C@@H](C)Cc2ccc(F)c(Br)c21 587801222 DUBZAFWHVXYGED-XMHCIUCPSA-N 413.334 5.296 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(c2ccccc2)c2ccccc2)N1 587812796 KQXIWIMNWYXERB-FYSMJZIKSA-N 424.357 6.170 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H]2CCCCC2=O)N1 587818795 FNPOPOJKXZDFBD-UZSYQUHHSA-N 416.334 5.125 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2oc2ccccc23)N1 587831247 HRPADBKDLVDTTR-QKVFXAPYSA-N 410.286 6.111 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)s2)(C2CCC2)N1 587850523 ZLXIYPOIKKDJIF-YPMLDQLKSA-N 414.771 5.881 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1C[C@@H]1c1ccccc1 587859218 SSZDNMKDWKQDOA-CVEARBPZSA-N 401.293 5.700 0 1 HKAF CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(C)c2ccsc2CCN1Cc1ccco1 962709055 QRODEIORMIFAJP-DENIHFKCSA-N 402.560 5.014 0 1 HKAF Clc1cc(Cl)c2c(c1)[C@@]1(C=CO2)c2ccsc2CCN1Cc1cccnc1 962997722 SRQKDNCBAWROGR-OAQYLSRUSA-N 415.345 5.658 0 1 HKAF CN1C(=O)C[C@H]2CN[C@H](c3ccc(OCc4ccccc4Cl)cc3)c3cccc1c32 963015801 BGAPEANNNFVDKH-AVRWGWEMSA-N 418.924 5.062 0 1 HKAF Cc1ccnc2c1CCN[C@@H]2c1c(C)c(C(=O)c2ccc(Cl)cc2)n2ccccc12 963071641 KHBFMEVDNKFTSX-HSZRJFAPSA-N 415.924 5.071 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@]2(c1ccc(F)cc1)c1ccccc1Cl 963256120 ABEFGXRQFWSCMH-JOCHJYFZSA-N 402.296 5.579 0 1 HKAF CN1CCc2c(Br)cccc2[C@]12CCc1cc(Br)ccc1C2 963280054 LJCSJZPGGIFVLY-LJQANCHMSA-N 421.176 5.084 0 1 HKAF COC(C)(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](OC(=O)c3cccc(O)c3)CCC[C@@]21C 1857542656 GPWBHUKITJGLTD-WTVVEIOFSA-N 416.602 6.365 0 1 HKAF Cc1ccc(NCc2nc(-c3ccc4nsnc4c3)c(-c3cccc(C)n3)[nH]2)cc1 1857600755 RKEIZQVDTNCBIC-UHFFFAOYSA-N 412.522 5.372 0 1 HKAF CCOc1ccc(-c2cccc(CNc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 1857612099 DBLRLBZWFQIKEN-UHFFFAOYSA-N 409.457 5.275 0 1 HKAF COCOc1ccc(C[C@@H]2Cc3cccc(OCCC4CCCCC4)c3C2=O)cc1 1857748594 RNODLPJEADZGRF-JOCHJYFZSA-N 408.538 5.616 0 1 HKAF O=C(Nc1ccc2nc(CN3CCCCC3)[nH]c2c1)c1ccc(Cl)c(Cl)c1 1857764257 WCGKVETXIRUCNS-UHFFFAOYSA-N 403.313 5.108 0 1 HKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356421743 SFUNNIZAWKFFIO-QXYBHEFCSA-N 416.646 6.287 0 1 HKAF CC1=C(C[C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@@H]1C(C)C 2356533696 POTOXHDOALIWIW-RSZQRVGOSA-N 410.686 7.555 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C(=CCO)[C@H]([C@]3(C)CC[C@H](O)C[C@H]3O)CC[C@@]21C 2356639909 IQSTZRCIVTWSDM-INSZTBGQSA-N 420.678 5.722 0 1 HKAF COc1c(C)c(CC=C(C)C=CC=Cc2ccc(C)cc2C=CCO)oc(=O)c1C 2356875607 ZSCKIUPHEIWELB-UHFFFAOYSA-N 406.522 5.338 0 1 HKAF N[C@H](Cc1ccc(C(F)(F)F)cc1)c1csc(NC(=O)Nc2ccccc2)n1 61903436 ZETDECLQAQAOPV-OAHLLOKOSA-N 406.433 5.048 0 3 HKAF O=C(NC1CCCC1)c1c(-c2ccc(F)cc2)noc1-c1cccc2ccccc12 2478248 JTJDHLKHPIEDQX-UHFFFAOYSA-N 400.453 5.973 0 1 HKAF Cc1csc([C@]2(C)CSC(c3csc([C@@]4(C)CSC(C(C)C)=N4)n3)=N2)n1 14594355 BDZRADRTDBWWNO-ZWKOTPCHSA-N 422.670 5.333 0 1 HKAF biogenic Cn1c2c(c3ccccc31)C(=O)[C@@H](CN1CC=C(c3c[nH]c4ccccc34)CC1)CC2 27735171 ZTZHOHVSQXWIGJ-LJQANCHMSA-N 409.533 5.194 0 1 HKAF CC(C)N(C(=O)[C@@H]1C[C@H]2CC[C@H]3[C@@H](CC[C@@]4(C)[C@@H]3CCC(=O)N4C)[C@@]2(C)C1)C(C)C 27986224 VMAUAPIAAHKASV-FJHOBSHRSA-N 416.650 5.111 0 1 HKAF C[C@@H](Oc1ccc2c(c1)OC[C@@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 27994572 ZMUMGTCKRJQJMD-VGYIUAJSSA-N 412.489 5.055 0 1 HKAF Brc1ccc(CCN(Cc2ccc3ccccc3c2)Cc2c[nH]cn2)cc1 28137067 XYIZPWJTKUEHKW-UHFFFAOYSA-N 420.354 5.570 0 1 HKAF COc1ccc2c([C@H](C)c3n[nH]c(Nc4ccc(Br)cc4)n3)cccc2c1 28654608 YDFHXXWICSDVBY-ZDUSSCGKSA-N 423.314 5.624 0 1 HKAF CNc1ccc(/C=C/c2ccc(-c3nc4cc(OCCCF)ccc4o3)cc2)cc1 29128782 KSCPKRJFZJXTRM-ONEGZZNKSA-N 402.469 6.445 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@@H](O)CO 32840963 JWPHORDRFVRZPP-PJEZTNATSA-N 402.575 5.361 0 1 HKAF endogenous,in-man CC[C@@]1(c2ccc(F)c(F)c2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F 36479982 RZPZIECBKIKUJY-QGZVFWFLSA-N 404.766 5.682 0 1 HKAF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(C5(C)OCCO5)=CC[C@H]4[C@@H]3CC[C@@H]2C1 38308704 RKDVZUVKDIUZHM-JLKNQZHWSA-N 402.575 5.260 0 1 HKAF Cc1ccc(Nc2ccc(CCCc3ccc(Cl)c(Cl)c3)cc2)c(C(=O)O)c1 40411582 TZXRBXNJFYJQIU-UHFFFAOYSA-N 414.332 6.919 0 1 HKAF Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2nnc(-c3ccccc3)s2)cc1 40423051 DJBNRJBKOUZQQZ-FOCLMDBBSA-N 422.513 5.383 0 1 HKAF O=C(Nc1cccc(OCc2ccc(-c3c(F)cccc3F)cc2)c1)C1CCNCC1 40847983 AISRATAGUWTQGV-UHFFFAOYSA-N 422.475 5.149 0 1 HKAF Cc1cc(NC(=O)c2ccccc2)c2cc(NC(=O)Nc3cccc(F)c3)ccc2n1 40876566 KRTMUNIQYDLEND-UHFFFAOYSA-N 414.440 5.579 0 1 HKAF CC(C)(C)C(=O)Nc1nccc(/C=C/c2c(-c3ccccc3)nc3sccn23)n1 40980188 SPWBFAGJGSSFNS-MDZDMXLPSA-N 403.511 5.008 0 1 HKAF CCOc1cc(-c2ccc(N[C@@H](C)c3ccc(F)cc3)nc2)ccc1-n1cnc(C)c1 72176320 JTOQQOUDTWWNBM-SFHVURJKSA-N 416.500 5.954 0 1 HKAF CCCCCc1nc(-c2cnc(NCCCOCCC)nc2-c2ccco2)oc1C 82165261 CBNFZJADYKIQSD-UHFFFAOYSA-N 412.534 5.661 0 1 HKAF CC[C@H](C)Cn1c(C2CCCCC2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82185029 MOTWLSDPNNLIIE-INIZCTEOSA-N 411.981 6.186 0 1 HKAF O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc2ccc(C(=O)O)cc12 84618250 BVWCVAXEGJKRLD-UHFFFAOYSA-N 408.763 5.854 0 1 HKAF CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(-c2ccccc2)ns1 96271731 VNFIOHAYQKIHMW-UHFFFAOYSA-N 402.523 6.434 0 1 HKAF Cc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2c(C)cncc2[nH]1)C(F)(F)F 113504187 WPHQTOKGVMHYCJ-NRFANRHFSA-N 408.439 5.523 0 1 HKAF COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CCC1 114821302 GOTKNVOMZNDPKT-UHFFFAOYSA-N 404.297 5.868 0 1 HKAF CC(C)[C@@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)[C@H]1C 136778253 GOZWAAJAKSAXBZ-OHGWOLJBSA-N 412.702 7.491 0 1 HKAF O[C@@H]1CCC[C@H](c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)C1 139163989 HHGBPGARRHXTDJ-FUHWJXTLSA-N 417.534 6.246 0 1 HKAF CCC[C@H](Nc1cncc(-c2ccc(OCCCCO)c(OC)c2)n1)c1ccccc1 140901914 XKRTZDFJTBFPED-NRFANRHFSA-N 421.541 5.257 0 1 HKAF CCN(CC)CCC[C@H](C)/N=c1\cc(-c2ccc(Cl)cc2)sc2ccccc12 169316872 GJGZSWIGEAFKQT-VKWSUVGGSA-N 413.030 6.633 0 1 HKAF COc1ccccc1[C@H](Cc1ccccc1)N1CCN(C2CCCCCCC2)CC1 169317906 DJTZHWUVKLRUAA-SANMLTNESA-N 406.614 5.710 0 1 HKAF C[C@@H](CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)c1cc[n+]([O-])cc1-2 169347747 KEXFFAGZENSRSA-INIZCTEOSA-N 407.485 5.586 0 1 HKAF Clc1ccc(Sc2oc(C3CCOCC3)nc2-c2cnc3[nH]ccc3c2)cc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endogenous,in-man Cc1ccc(-n2cnnc2SCc2nc3cc4ccccc4cc3[nH]2)cc1Cl 586968070 LGMZSTNXIAWKGT-UHFFFAOYSA-N 405.914 5.551 0 1 HKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 586980495 UDPQBKMWTCMROA-UHFFFAOYSA-N 421.125 6.398 0 1 HKAF Cc1ccc2c3c(cc(-c4cccc(Br)c4)nc13)-c1ccccc1C2=O 586993800 PMWHBRARVALVFN-UHFFFAOYSA-N 400.275 6.184 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5cc(C)cc(C)c5[nH]4)c23)cc1 587038560 PFLQPBLHXFBJSD-UHFFFAOYSA-N 416.575 6.452 0 1 HKAF Cc1c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587076294 UZDKFAUTNKBCJL-UHFFFAOYSA-N 416.937 6.529 0 1 HKAF Cc1ccc2c3c(cc(-c4cccc(O[C@H](C)C(=O)O)c4)nc13)-c1ccccc1C2=O 587096630 MDHJNGDVWWDJBZ-OAHLLOKOSA-N 409.441 5.274 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(-n4cnc5ccccc54)cc3)nc3cccc1c23 587103727 AHMLLHIHQDSTBE-UHFFFAOYSA-N 423.475 6.452 0 1 HKAF CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587107283 RSHUQHRYAKFDLD-FOIQADDNSA-N 413.517 5.701 0 1 HKAF FC1(F)Oc2cc3nc(/C=C/c4ccc(SC(F)(F)F)cc4)[nH]c3cc2O1 587123361 DGJPVQAARPREMS-ZZXKWVIFSA-N 400.328 5.667 0 1 HKAF Cc1c(Br)ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587131841 DJIJYAHMPDHHDY-GORDUTHDSA-N 403.148 5.500 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2c1 587193236 VRHKCHDWIGSRDB-UHFFFAOYSA-N 405.885 5.210 0 1 HKAF C[C@]1(c2ncc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326760 CZESQZLUQHLRRE-RXVVDRJESA-N 418.251 5.507 0 1 HKAF C[C@@]1(c2oc3ccccc3c2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335219 KTOLMCMVYOIUID-HYBUGGRVSA-N 403.409 5.134 0 1 HKAF CCCCC[C@@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 587370234 CSAJWMVNEWKIJF-NRFANRHFSA-N 402.332 5.781 0 1 HKAF C[C@]1(c2cccc3ccsc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587376917 YVBOKGZJUNNEBY-XUZZJYLKSA-N 404.462 6.020 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3nccc(NC(=O)C(C)(C)C)c3o1)CC2=O 587471872 WCCTWRANPJKOLZ-HXUWFJFHSA-N 422.481 5.177 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCCN1CCCC[C@@H]1C)CC2=O 587473938 AQQKLVWGYPJHQI-BVZFJXPGSA-N 423.553 5.304 0 1 HKAF O=C1C[C@](c2cc(F)ccc2F)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 587508460 VROBXBNECHRIFW-RUZDIDTESA-N 424.874 6.406 0 1 HKAF O=C1C[C@H](c2cc(Br)cc(Cl)c2F)Oc2c1ccc1c2CCCC1 587508483 VWURVLAAZCZFNX-QGZVFWFLSA-N 409.682 5.827 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1[nH]c3ccc(F)cc3c12 587566703 ADTDEBGFEZCCJN-RDGATRHJSA-N 415.420 5.206 0 1 HKAF Cc1ccc(Oc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601068 QIMAELQGEUOJKS-SHQCIBLASA-N 424.452 6.196 0 1 HKAF Cc1ccc(O)c(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)c2ccc(Cl)cc2)c1 587639169 WXRWMJOVUVBPQU-UHFFFAOYSA-N 405.837 5.432 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cccc(C(F)(F)F)c3)c2c1 587642725 VBZDTGSUPNXWQF-LLVKDONJSA-N 413.361 6.950 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2ccccc2Cl)N1 587695355 JEKMPMNBCXWPDT-APBUJDDRSA-N 420.713 5.255 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2ccc(Cl)cc2)N1 587697472 GQFULSUONKPGTH-XKYGYVCHSA-N 423.757 5.095 0 1 HKAF Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cccc1C(F)(F)F 587710325 FVMVYFVWKFFCSL-XYZCENFISA-N 402.229 5.539 0 1 HKAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC(C)C 587792377 KNTLKSPAJLJQOZ-YEJXKQKISA-N 422.338 5.255 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(C(F)(F)F)cn1 587864751 KNWYBHSRMWREQH-UHFFFAOYSA-N 401.310 5.371 0 1 HKAF Cc1nn(Cc2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)cc2)c(C)c1Cl 587873401 AUUVJENLJNGOCU-UHFFFAOYSA-N 422.847 4.998 0 1 HKAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587930967 JASYRLHKNGOHRG-CRICUBBOSA-N 411.530 6.293 0 1 HKAF COc1c(CC=C(C)C)c(CCc2ccccc2)c(C(=O)O)c(OC)c1CC=C(C)C 653721971 VWXRMRRWSWCMSZ-UHFFFAOYSA-N 422.565 6.205 0 1 HKAF C[C@@]1(c2cc3cc(Br)ccc3o2)NCCc2cc(-c3ccccc3)ccc21 962667958 NKHLPQSDUURHGS-XMMPIXPASA-N 418.334 6.272 0 1 HKAF CCC(C)(C)[C@@]1(c2ccc(C)cc2C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962951288 FVDYBRLZCDMCHZ-MBSDFSHPSA-N 421.915 5.514 0 1 HKAF CCN(CC)c1ccc2cc([C@@]3(C)c4ccc(F)cc4C[C@H]4CCCN43)c(=O)oc2c1 963111795 RJIADAUTBRUFIP-QFQXNSOFSA-N 420.528 5.062 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C/C/C=C\CCC(=O)OC[C@H](O)CO 1857581085 JWPHORDRFVRZPP-XFJNLHFBSA-N 402.575 5.361 0 1 HKAF CC(C)=CCCC1=CC[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)[C@H](c2ccccc2)C1 1911585760 PPPBWPZMOZTBJL-RPWUZVMVSA-N 403.522 6.190 0 1 HKAF CC(C)=CCCC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@H](c1cc(O)cc(O)c1)O2 2356651816 CVIHLQPNGRNSIC-JOCHJYFZSA-N 424.493 5.451 0 1 HKAF COc1ccccc1Cc1c(-c2ccc(F)cc2)nc2ccc(Br)cn12 72135022 XFXSNSYZMDHYRK-UHFFFAOYSA-N 411.274 5.502 0 3 HKAF CC(C)=CCC/C(C)=C/COc1ccc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1 3585481 XHCAXPZUMUUNKN-XMQQHFNTSA-N 408.494 5.876 0 1 HKAF CCN1CCC[C@@H]1Cn1c(-c2ccccc2)nc2c(NC3CCCCC3)nc(C)nc21 7991857 UNZGAGLGQCYMRB-OAQYLSRUSA-N 418.589 5.031 0 1 HKAF Cc1cn(CC2CCCCC2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12 13589701 DFLNUZZIKCRVBO-UHFFFAOYSA-N 416.352 6.484 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@@]4(C)C3=CC[C@@]12C)C(C)C 14717082 ZWTPQWMZKRJCAT-SWTBFFODSA-N 412.702 8.233 0 1 HKAF biogenic COC(=O)[C@H]1CC=C(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)C[C@@H]1C(=O)OC 26574919 MRKGZZRVSSGZIK-DVKRWUGUSA-N 422.650 6.724 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCc1oc2c(C)c(C)c(O)cc2c(=O)c1O 27629876 SIRVTBLMAUJBOQ-IJNKXORISA-N 424.581 7.173 0 1 HKAF CCCN(CCCCNc1ccnc2cc(Cl)ccc12)Cc1ccc(Cl)o1 36474432 GFHCKKPVCPTRCK-UHFFFAOYSA-N 406.357 6.239 0 1 HKAF O=C(NCc1ccccc1Cl)c1cnc(NC2CCCC2)nc1-c1ccccc1F 82152558 WFGAXTAIVZFISG-UHFFFAOYSA-N 424.907 5.221 0 1 HKAF Cc1oc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccco2)nc1-c1ccccc1 82165837 VTMJIFCZRDMYLN-IRXDYDNUSA-N 414.509 5.849 0 1 HKAF CCC(=O)Nc1ccc(OC)c(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)c1 95921177 WBICYBFULYQLHC-UHFFFAOYSA-N 421.888 5.379 0 1 HKAF in-vitro C[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccccc2)CCCCCCCCCCC(=O)O1 103215433 RNNGPENRYVCNLD-IFMALSPDSA-N 423.619 5.101 0 1 HKAF CCCCCCc1cc2ccc(Br)cc2n1C(=O)C[C@H](C)CC(=O)O 103270860 YJJINGSBPCSOOB-AWEZNQCLSA-N 408.336 5.668 0 1 HKAF CO[C@@H]1C=C(O)[C@H]2[C@@H]3C[C@H]4CC[C@]5(CC[C@@H](Cc6ccccc6)C5)[C@]3(C)[C@@]4(C)[C@@]12O 103575366 NOASNVCWMDMJSW-YJKOIXABSA-N 408.582 5.290 0 1 HKAF biogenic,in-vitro O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(F)cc1 115312175 FZJJHFRXRGTDOX-UHFFFAOYSA-N 413.374 5.113 0 1 HKAF COC[C@@H](C)NC(=O)c1cc(NC(=O)c2ccc(C)s2)cc(-c2ccc(C)cc2)c1 142607941 MOJPVOYRZJKKGU-MRXNPFEDSA-N 422.550 5.049 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccc(-c2ccccc2)s1 166744623 GSZNHHZGYCSYMK-IBGZPJMESA-N 407.535 5.686 0 1 HKAF CCN(CC)CCC[C@H](C)/N=c1\cc(-c2ccc(F)cc2)sc2ccc(F)cc12 169316893 BNZIKFZDSHPHKG-UPWLQVFWSA-N 414.565 6.258 0 1 HKAF Clc1ccc([C@@H]2C[C@H]3CC[C@@H](S3)[C@@H]2c2cc(-c3ccccc3)no2)cc1Cl 169335240 KWPJGSRDVFKINU-ZXJYCPGTSA-N 416.373 7.184 0 1 HKAF CC(=O)[C@]12CCCC[C@H]1C[C@H]1[C@@H]3C[C@H](C)[C@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 195209013 YYJQALYDDZZWSF-HXNVCECFSA-N 400.603 5.335 0 1 HKAF CN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Br)cc32)CC1(C)C 253646324 NAYPPFWCBZMRQV-FPOVZHCZSA-N 417.366 5.191 0 1 HKAF Oc1ccc2c(c1)C=Cc1ccc(O)c(c1)Oc1ccc(cc1)CCc1cccc(c1)O2 253668044 MOTBWTKNDKAKBC-UHFFFAOYSA-N 422.480 6.951 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 255201100 BVVFRHKBULZQCQ-JRMILGESSA-N 414.718 8.313 0 1 HKAF CCc1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)cc1CC 586878553 GLYVCGKRHUVCPP-UHFFFAOYSA-N 408.137 5.880 0 1 HKAF CCCCCOc1cc2[nH]c(-c3ccc(C4CCC4)cc3)nc2cc1Br 586881052 QAPIFQVUQXAGEV-UHFFFAOYSA-N 413.359 6.829 0 1 HKAF C[C@@H]1C[C@@H](C)CN([C@H]2CCCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)C1 586988913 ZLLDOIWXFDKUMM-ZOCZFRKYSA-N 412.533 5.507 0 1 HKAF Cc1cc2c(Br)ccc(-c3nc4cc(Br)c(F)cc4[nH]3)c2o1 587003659 LOZARGALAOLBCS-UHFFFAOYSA-N 424.067 5.949 0 1 HKAF Clc1c(Br)cnc2[nH]c(-c3cnc(Cc4ccccc4)s3)nc12 587021832 LOUDMIVHBIQKQJ-UHFFFAOYSA-N 405.708 5.088 0 1 HKAF O=S(=O)(c1ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2c1)C(F)(F)F 587025064 FNEXDAVRCMFVHP-UHFFFAOYSA-N 408.426 5.252 0 1 HKAF COc1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc(Cl)c1O 587046396 RJGDZOZJDMPOOT-UHFFFAOYSA-N 421.600 5.379 0 1 HKAF O=c1ccc(-c2nc3cc(Cl)cc(F)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587059156 UGKXLNZDGDLZBY-UHFFFAOYSA-N 422.674 5.539 0 1 HKAF Clc1c[nH]c2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc-2n1 587064087 MDGQWFNROFVPMV-UHFFFAOYSA-N 424.291 5.312 0 1 HKAF Cc1cc(Br)cc2c1-c1nc3cccc4c3c(c1C2)-c1ccccc1C4=O 587100788 AHSHZYCGYOQWLK-UHFFFAOYSA-N 412.286 6.088 0 1 HKAF O=C1c2ccccc2-c2cc(CCc3ccc(C(F)(F)F)cc3)nc3cccc1c23 587103195 HIMBJPKKEBTHRC-UHFFFAOYSA-N 403.403 6.250 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1F 587150529 LKQDEVJVXAESKH-LJQANCHMSA-N 405.231 6.316 0 1 HKAF C[C@]1(c2nc3cccc(OCc4ccccc4)c3[nH]2)C=C(c2ccccc2F)NO1 587155696 KITNMUYAOHFXGA-XMMPIXPASA-N 401.441 5.072 0 1 HKAF CCCCOc1cc2nc(-c3cc4cc(N)ccc4o3)[nH]c2cc1Br 587251265 AHUSJZWDJFQQIO-UHFFFAOYSA-N 400.276 5.500 0 1 HKAF COc1cc(Cl)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587330648 OPEIRIKVYABISU-GGAORHGYSA-N 412.844 5.468 0 1 HKAF CC[C@@]1(c2c(F)ccc(F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332435 LNQRLDGEZVJKIB-AUSIDOKSSA-N 416.370 5.613 0 1 HKAF CN(C)c1cc(F)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336604 QTWRQKWMTKHVAQ-ISKFKSNPSA-N 409.432 5.011 0 1 HKAF COc1cc(C)c(C)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350229 KBGLOBQUVQENPD-NOZRDPDXSA-N 406.453 5.431 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C2CCCCC2)[C@@H]1c1ccc(F)cc1 587350788 FHZIMZGPYSVPDG-VPUSJEBWSA-N 416.492 6.366 0 1 HKAF CCCCCOC(=O)Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587364141 XRWSDANBNUCNIX-UHFFFAOYSA-N 403.478 5.933 0 1 HKAF CCc1oc2ccccc2c1[C@]1(c2ccc(O)cc2)CC(=O)c2cc(C)cc(N)c2O1 587413611 SQHZJXOHTRTLMB-AREMUKBSSA-N 413.473 5.500 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3cccc(C(=O)O)c3)c1)CC2=O 587488411 IVPOPLWBKMBFQL-QHCPKHFHSA-N 402.446 5.416 0 1 HKAF O=C1C[C@@H](c2cc3ccc(C(F)(F)F)cc3s2)Oc2c1ccc1c2CCCC1 587504729 FWUPMFXWUYXVKA-SFHVURJKSA-N 402.437 6.505 0 1 HKAF O=C1OCc2ccc(-c3ccc([C@H]4CC(=O)c5ccc6c(c5O4)CCCC6)o3)cc21 587532728 NMPHEVOANWCZJQ-HSZRJFAPSA-N 400.430 5.202 0 1 HKAF Cc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540127 KSYLVLZEJSYSFX-WIYYLYMNSA-N 411.251 5.166 0 1 HKAF C[C@]1(c2c(F)cccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551200 YICJZEVIWCVGSP-GHTZIAJQSA-N 418.342 5.427 0 1 HKAF CCCCCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587595568 KVZOWGLAUUXVDP-BVAGGSTKSA-N 418.489 5.838 0 1 HKAF COc1ccc(C(C)(C)C)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596410 VMMRCVJLKDFZBY-ZJSXRUAMSA-N 404.462 5.401 0 1 HKAF CC(C)c1ccc2c(c1)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604081 QRXJHOABHDCIHN-ZEQKJWHPSA-N 400.474 5.709 0 1 HKAF C[C@@]1(c2cnc(-c3ccccc3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609970 FEUARDXLEVXHLW-RDPSFJRHSA-N 415.470 5.393 0 1 HKAF CSc1ccc2c(c1)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611588 GREPLQWZQTTXFP-QPPBQGQZSA-N 404.487 5.308 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2ccsc2)c1 587620400 YZTTVOVJKHPCEQ-ZJSXRUAMSA-N 400.455 5.824 0 1 HKAF CCOC(=O)c1ncn(-c2c(-c3cccc(Cl)c3)[nH]c3c(C)cc(Cl)cc23)n1 587624986 XWNLXSBXKDMSCG-UHFFFAOYSA-N 415.280 5.208 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(Nc3cccc(C(F)(F)F)c3)c2c1 587641000 HYLRALFZJOABOL-INIZCTEOSA-N 408.467 8.111 0 1 HKAF Cc1ccc(C)c(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587753837 JXZITUVDEYOYHZ-IVZQSRNASA-N 413.334 5.619 0 1 HKAF CC(C)=C1NCCc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc21 587799555 XUJGPNYYMMMYJX-XMHCIUCPSA-N 415.350 5.108 0 1 HKAF CCCCCC[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814625 VAHUKAGNVCMKIR-KSFYIVLOSA-N 404.367 6.336 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(C=O)c2)(C2CCCC2)N1 587819118 LGBRJXFEMBDXES-FPTDNZKUSA-N 416.334 5.369 0 1 HKAF CCCCc1oc2ccccc2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587831406 WNLXYXGCOKLYFP-DMZKTXOQSA-N 416.334 6.301 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1ccccc1F 587856155 SAODOSORGXUWAC-UHFFFAOYSA-N 410.301 5.640 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCCc1ccccc1 587857837 ABPDUOVLURQJNG-UHFFFAOYSA-N 403.309 5.919 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(Cl)c1Cl 587861496 RLTJFCMJMLMESL-UHFFFAOYSA-N 415.198 5.573 0 1 HKAF Cc1ccc2[nH]c(-c3ccc(-c4nc(-c5ccc(F)c(F)c5)cs4)cc3)nc2c1 587921966 DUQJHYKJUPFYNP-UHFFFAOYSA-N 403.457 6.607 0 1 HKAF Nc1cccc(Br)c1-n1c(O)cc(-c2ccc(Cl)c(Cl)c2)c1O 587935678 PLBGLXGCGHFMIL-UHFFFAOYSA-N 414.086 5.207 0 1 HKAF Cc1ccc([C@@]2(c3ccsc3)c3ccsc3CCN2Cc2cccn2C)c(C)c1 962372974 KOXBXPQFKKVGRA-VWLOTQADSA-N 418.631 6.115 0 1 HKAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@@H]2c1ccc(C(F)(F)F)s1 962957720 PIVSSXOEUOMYPT-INIZCTEOSA-N 421.406 5.527 0 1 HKAF O=C(C[C@@]1(c2ccc(Cl)s2)c2ccc(F)cc2C[C@H]2CCCN21)C(F)(F)F 963106310 KDIQRYVGZCDTML-ACJLOTCBSA-N 417.855 5.326 0 1 HKAF C[C@@]1(c2ccc(Br)c3ccccc23)NCCc2c(Cl)cc(Cl)cc21 963124074 QHXOTYRAKYCIAV-FQEVSTJZSA-N 421.165 6.318 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccc(OC)c(OCc2ccccc2F)c1 963229736 OZNAAUFSFZCEEY-UZTOHYMASA-N 419.540 6.159 0 1 HKAF CC1(C)OC(=O)N([C@H]2CC[C@H](n3c(=O)oc4ccccc43)CC2)[C@H]1c1ccccc1 1772593879 PBSBHJCHQGWUSV-WFXMLNOXSA-N 406.482 5.050 0 1 HKAF Clc1ccc(-c2nc(-c3cccs3)n3c2-c2[nH]c4ccccc4c2CC3)cc1 1857542397 XUOIERMPKYGDOI-UHFFFAOYSA-N 401.922 6.636 0 1 HKAF Fc1ccc2[nH]cc(CCN3CCN(c4ccccc4-c4ccccc4F)CC3)c2c1 1857656540 JLWIDAKJUHQHIW-UHFFFAOYSA-N 417.503 5.478 0 1 HKAF Clc1ccc(-c2nc3ccc(-c4cccs4)cn3c2CN2CCOCC2)cc1 1857765875 UGKLQEKBTSINDK-UHFFFAOYSA-N 409.942 5.215 0 1 HKAF COc1ccc(CC[C@H]2C[C@H](c3ccc(OC)cc3)Oc3cc(OC)ccc32)cc1 2356284353 YBTNREBQAFMKBX-NBGIEHNGSA-N 404.506 5.953 0 1 HKAF CC1=C[C@H](CNC(=O)c2ccccc2)[C@@H](C(C)C)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356286192 YYOWGXAMKLYXFY-TUNNFDKTSA-N 419.544 5.529 0 1 HKAF CC=C(C)[C@H](O)[C@@H](C)C=C(C)C=CC[C@H](C)C=Cc1oc(OC)c(CC)c(=O)c1C 2356417951 RZWLIPXWCCRKLN-REIDKSKDSA-N 414.586 6.024 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356440278 VETZNBAGZJYCQT-IXQYHOKFSA-N 414.674 7.102 0 1 HKAF CC(C)=C[C@H](O)CC(C)=CCc1c(O)cc(O)c2c1O[C@@H](c1ccccc1)CC2=O 2356557450 OZGKAPGLVKJUDB-FDDCHVKYSA-N 408.494 5.010 0 1 HKAF COc1ccc(-c2c[n+]3c4n2CCCCC4=C(c2ccc(Br)cc2)C3)cc1 8829620 JBZPLGMTBVEFIZ-UHFFFAOYSA-N 422.346 5.322 0 3 HKAF COc1ccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4)cc(=O)c3c2O)cc1 13879121 SGSQDLPVEBYNRL-UHFFFAOYSA-N 421.836 5.080 0 3 HKAF O=C(OCCCCSc1nnc(-c2cccc3ccccc23)o1)c1ccc(F)cc1 36381503 XZHPZPGALCXJHG-UHFFFAOYSA-N 422.481 5.758 0 3 HKAF COc1ccc([C@@H](N)c2csc(Nc3ccc(C(=O)c4ccccc4)cc3)n2)cc1 61929242 DTNQJZQANPTSQQ-JOCHJYFZSA-N 415.518 5.174 0 3 HKAF c1ccc(COc2cccc(-c3cc4nc(NCCc5ccncc5)ccn4n3)c2)cc1 61930053 CQWICDGXEAXPNP-UHFFFAOYSA-N 421.504 5.025 0 3 HKAF O=C(NCCc1ccccc1F)c1c(-c2ccccc2Cl)noc1-c1ccccc1 774798 LZUBYJLJRBULOD-UHFFFAOYSA-N 420.871 5.774 0 1 HKAF CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCc1ccccc1N 4080439 WGDNSYGQIVSJJZ-JWQCQUIFSA-N 421.585 5.723 0 1 HKAF O=C(Nc1ccc(Cl)cc1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 13676240 IQLQNNIZPSPERD-UHFFFAOYSA-N 405.712 6.558 0 1 HKAF in-vivo COc1cc2c(cc1OC)C(=O)[C@H](CCCC1CCN(Cc3ccccc3)CC1)C2 13744609 JVEGMROXNVGBJY-OAQYLSRUSA-N 407.554 5.141 0 1 HKAF COc1cc([C@H]2OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)ccc1O/C=C\C(C)C 14658117 NXUQPWMHPDPMCA-OGSCBAKQSA-N 424.493 5.048 0 1 HKAF endogenous,in-man COc1ccc(-c2nc3c(Cl)cccn3c2-c2ccnc(NC3CCCC3)n2)cc1 28703227 JFQXAAAFFBEQNR-UHFFFAOYSA-N 419.916 5.475 0 1 HKAF O=C(O)c1cc(Nc2cccc(Cl)c2)c(C(=O)O)cc1Nc1cccc(Cl)c1 31391591 JCHNWGHDRJBSRH-UHFFFAOYSA-N 417.248 5.877 0 1 HKAF C/C=C(\C)C(=O)[C@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1nc(OC)c(OC)c(O)c1C 35050239 OSVHOYYZVAEGDX-VISRUDLRSA-N 413.558 5.666 0 1 HKAF CC(C)c1ccccc1Sc1c(O)cc(-c2ccc(Cl)c(Cl)c2)oc1=O 36124592 CWJYRKNPQDOXNZ-UHFFFAOYSA-N 407.318 6.594 0 1 HKAF COC(=O)[C@@H](Oc1cccc2c1CCC2)c1ccc(Oc2ccc(Cl)cc2)cc1 39242773 XZOZIRFKBKBPIB-QHCPKHFHSA-N 408.881 5.914 0 1 HKAF Cc1cccc(CNc2nc3cnc(-c4cccc(Oc5ccccc5)c4)cc3n2C)c1 82083570 VYBXTKHNXBHALC-UHFFFAOYSA-N 420.516 6.348 0 1 HKAF CCCC[C@H](CC)CNc1nc(NCCC(C)C)c2cc(OC)c(OC)cc2n1 82130764 COAMYWBPUHKTCS-KRWDZBQOSA-N 402.583 5.733 0 1 HKAF CCCCCNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(Cl)s2)cs1 82195931 MIKJKYGYIDXZQI-LBPRGKRZSA-N 418.053 5.365 0 1 HKAF CCN(C(=O)c1cncnc1Oc1cc(Cl)ccc1Cl)c1ccccc1C 95575048 RIIYXKLMJIARET-UHFFFAOYSA-N 402.281 5.551 0 1 HKAF Fc1cc(Br)ccc1Cn1ccc2nc(-c3ccccc3F)nc-2c1 100068450 QPCWSSWAEXFMHX-UHFFFAOYSA-N 400.226 5.139 0 1 HKAF Cc1cc(N/C(=C\c2nsc(Nc3ccc(Cl)c(Cl)c3)n2)C(C)(C)C)no1 103948302 AJQPUXFJVZSPBL-ZROIWOOFSA-N 424.357 6.384 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2cccnc2)C[C@H](c2ccc3c(c2)OCO3)C1 103998803 WPXIGLRUJWWBDD-SSOJOUAXSA-N 411.461 5.439 0 1 HKAF CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)cc1 169304822 KDZLHEVIBDPBQN-UHFFFAOYSA-N 409.489 5.729 0 1 HKAF COc1ccc(-c2cc([C@H]3[C@@H](c4ccc(Cl)cc4)C[C@H]4CC[C@@H]3N4C)on2)cc1 169346421 MZBDCJWEXVZTQQ-NROSNUSPSA-N 408.929 5.738 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(OCC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=CC3 199203691 KWWIDBSRZVKILE-BXAZICILSA-N 400.647 7.037 0 1 HKAF COc1ccc(CNc2nc(-c3ccccc3Cl)c(Cc3ccccc3)s2)cc1 299827112 OUTHNGFUSLUWIG-UHFFFAOYSA-N 420.965 6.675 0 1 HKAF CCc1[nH]c2cc(O)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1 299839145 RUBACXIFRPVRKI-UHFFFAOYSA-N 412.574 5.937 0 1 HKAF CCc1ccc2[nH]c(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCC4)nc2c1 587031058 NXPBMKPCRYYHML-UHFFFAOYSA-N 421.953 6.248 0 1 HKAF COC(=O)c1cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2cn1 587050824 UFDVJJDRUQCWRS-UHFFFAOYSA-N 413.864 5.885 0 1 HKAF COc1cccc2[nH]c(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)nc12 587062084 SDDQDIHQNWWEGN-UHFFFAOYSA-N 417.900 5.302 0 1 HKAF CSc1ccc(C(=O)Cc2c(C)nc3c(C)ccc4c3c2-c2ccccc2C4=O)cc1 587102314 NJOLGTQIYAEWPM-UHFFFAOYSA-N 423.537 6.210 0 1 HKAF O=C(O)Cc1c(-c2cc(Cl)ccc2O)nc2cccc3c2c1-c1ccccc1C3=O 587104127 OMIORSNUYMDSQR-UHFFFAOYSA-N 415.832 5.099 0 1 HKAF C[C@@H](c1nc2cc(Cl)cc(Cl)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587130531 UCTWTMBSINICOO-BYPYZUCNSA-N 415.605 6.204 0 1 HKAF Fc1c(F)c(F)c(/C=C\c2nc3c(Cl)c(Br)cnc3[nH]2)c(F)c1F 587131689 BFGBTSKIPQNQBV-UPHRSURJSA-N 424.554 5.240 0 1 HKAF COc1c(F)cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1F 587134572 JWPCNSNCNQBCJW-UHFFFAOYSA-N 423.135 5.178 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc4c(c3[nH]2)CCCC4)c(Cl)c1 587159394 OOHUSEZJTMVYRP-QHCPKHFHSA-N 406.888 6.403 0 1 HKAF CC1(C)[C@H]2CC[C@]3(C2)[C@@H]1c1nc2cccc4c2c(c1CC3(C)C)-c1ccccc1C4=O 587208031 QDVNNUUPLMYJGZ-BCSGCWHLSA-N 407.557 6.938 0 1 HKAF FC(F)(F)Oc1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2cc1Cl 587232384 SJLPEIHITPKODW-UHFFFAOYSA-N 421.806 5.665 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCc3[nH]c4ccccc4c32)[C@H]1c1ccc(F)cc1 587345653 JGEHGHKZAVJRRV-JYFHCDHNSA-N 413.448 5.603 0 1 HKAF CC(C)c1ccc2c(c1)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355718 GIMOGNQUUUJEOD-AZGAKELHSA-N 418.464 5.692 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(C(=O)O)c(Cl)c3)cc1)O2 587374711 JDSDWEUVSSZECQ-NRFANRHFSA-N 407.853 5.302 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4Cl)nc1C(C)(C)C)[C@@H](C2)C3=O 587421590 URUHFZSYSUXQQD-OYHNWAKOSA-N 422.912 5.321 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCCNc3ccc(Br)cc31)CC2=O 587456859 BVBUAVBDASOYRQ-OAQYLSRUSA-N 416.315 5.174 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1Oc1ccccc1C=O)CC2=O 587483089 UWZOJXYVAXXNAV-DEOSSOPVSA-N 402.446 5.656 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3cc(C)cc(C)c3)o1)CC2=O 587487123 YQZAYCWWWIDRQF-DEOSSOPVSA-N 406.478 5.840 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(-c4cccnc4)sc31)CC2=O 587496831 VFJIVUNTESCXNO-QHCPKHFHSA-N 406.507 5.060 0 1 HKAF C[C@]1(c2ccc(NC(=O)c3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511784 NOKQRKSBSSRZQS-HHHXNRCGSA-N 411.501 5.698 0 1 HKAF O=C(N[C@@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1)OCc1ccccc1 587514986 ZGGBXSDULUXLRN-FQRUVTKNSA-N 419.521 5.138 0 1 HKAF O=C1C[C@]2(CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)Oc2c1ccc1c2CCCC1 587518262 DMMYPWWPLKYXQA-ULNCZQIZSA-N 415.577 5.592 0 1 HKAF COc1ccc2c(c1)OC(c1ccccc1)=C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587531148 IRVWCGDGIGBULY-NDEPHWFRSA-N 424.496 5.868 0 1 HKAF Cc1ccc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587540358 NUEPCUYLTSKOJJ-NQIIRXRSSA-N 411.251 5.166 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(C(F)(F)F)c1F 587550146 SXQHITGYZVTFEH-FOIQADDNSA-N 422.305 5.392 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)(F)F)c(F)c1 587554998 KBXKJPLAPBOIJI-FXAWDEMLSA-N 420.314 5.133 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c([C@H](C(=O)O)c3cccc(Cl)c3)c2c1 587642191 QMOIUJSZPQBKEK-WAIKUNEKSA-N 417.936 7.218 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(CNC(=O)OC(C)(C)C)c(CCCC3OCCO3)c2c1 587642916 QBVXXLIHVUDUGA-INIZCTEOSA-N 416.562 5.402 0 1 HKAF O=c1c2cc(Cl)ccc2cnn1-c1nc(-c2ccc(Cl)cc2)cc(C(F)F)n1 587651914 RFNPLUUZDUHARW-UHFFFAOYSA-N 419.218 5.087 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(F)(F)F)(c2ccccc2)N1 587708966 GRXWACLYPCDCRY-GTNSWQLSSA-N 402.229 5.318 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc(C(F)(F)F)c2)N1 587713638 TZDXEWWLRZBLQZ-BCTVWOGZSA-N 422.647 5.884 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OC(F)(F)F)cc2)N1 587714526 ACYLBNMWKYZGER-BMLIUANNSA-N 418.228 5.285 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(C(F)(F)F)c2)N1 587714704 WRCIARZPBYDUGX-BCTVWOGZSA-N 406.192 5.370 0 1 HKAF Cc1cccc(C)c1-n1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587756192 RIQIUVSKXRQTQW-QVKFZJNVSA-N 413.334 5.619 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2n(C)c2ccccc32)N1 587757515 OHDUEJWBKHOAFN-DMZKTXOQSA-N 413.334 5.194 0 1 HKAF Oc1ccc(OCc2ccccc2)cc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587782878 RMDLJUZFUSNYQM-UHFFFAOYSA-N 422.484 6.094 0 1 HKAF CCOc1cccc(OCC)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587803816 XZVFJNDCUSNYSD-YEJXKQKISA-N 422.338 5.183 0 1 HKAF CC(C)C[C@@]1(CCc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814747 VIIJZSXHQAPDBT-KSFYIVLOSA-N 404.367 5.997 0 1 HKAF Cc1ccccc1[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587816324 WMGZFBZOUPBTIF-MWTRTKDXSA-N 410.330 5.723 0 1 HKAF CCCC[C@@H]1Cc2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587818152 CEBGQGIVADWWCH-UZSYQUHHSA-N 402.351 5.729 0 1 HKAF Cc1nc2c(Cl)cccc2c(Cl)c1CC[C@]1(C)NCCc2ccc(F)c(C)c21 962095117 VMKATEXKUZXVIW-QHCPKHFHSA-N 417.355 6.291 0 1 HKAF C[C@@]1(c2c(F)ccc(C(F)(F)F)c2F)NCCc2cccc(-c3ccccc3)c21 962662849 MJFNSFSGFPHIIS-JOCHJYFZSA-N 403.394 6.060 0 1 HKAF C[C@]1(c2ccc(-c3ccsc3)s2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962696460 FKVDNSMKXKQFGO-OPAMFIHVSA-N 415.624 6.243 0 1 HKAF CC(C)[C@H](c1ccccc1)[C@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962950244 FEZDVLQYBDIRGZ-YADHBBJMSA-N 403.488 5.838 0 1 HKAF FC(F)(F)Oc1ccc(Oc2ccc(CN3CCC4(CC3)OCCCO4)cc2)cc1 1857765573 MBDHTZZVSPWQHN-UHFFFAOYSA-N 423.431 5.107 0 1 HKAF CCC=C(CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C)C(C)C 2356312768 JVGGULCNHGBDGL-VMXATNROSA-N 424.713 8.255 0 1 HKAF COc1cc(O[C@@H]2O[C@H](C)[C@H](C)[C@@H](C)[C@H]2C)c2c(=O)c(-c3ccc(O)cc3)coc2c1 2356857766 SMKSDRFSKFABKS-WFEYNSOISA-N 424.493 5.206 0 1 HKAF CCc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(CCN(C)C)C(=O)[C@@H]2C)cc1 13450734 MQZVQWKSGFGCNS-VQIMIIECSA-N 418.503 5.138 0 1 HKAF Cc1cc(OCc2oc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O 13489478 KYABLFQOPKKJCJ-UHFFFAOYSA-N 421.371 5.020 0 1 HKAF O=C(Nc1ccc(-c2cccc3c2CNC3=O)cc1)Nc1cccc(C(F)(F)F)c1 14945196 HVLQSTLIXZZWIR-UHFFFAOYSA-N 411.383 5.260 0 1 HKAF CCC(CC)(c1ccc(OC(=O)N2CCCCC2)cc1)c1ccc(N(C)C(C)=O)cc1 28950176 FBWHSQRGYGGZST-UHFFFAOYSA-N 422.569 5.760 0 1 HKAF C1=C(c2ccc3ccccc3c2)C[C@H]2CC[C@@H]1N2CCCOc1cccc2[nH]ccc12 34389972 ZWGCNJQKTLJLKQ-LOSJGSFVSA-N 408.545 6.410 0 1 HKAF Clc1ccc2c(c1)nc(-c1ccc(OCc3ccccc3)cc1)n2C1CCCC1 40403835 LUYZOEIOSBBLSS-UHFFFAOYSA-N 402.925 7.051 0 1 HKAF O=C1CC2(N3CCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)C2 40576411 SPFNPXDDHRPGQO-WXYTXABISA-N 414.376 6.078 0 1 HKAF Clc1ccc(-n2c(Nc3ccc(Cl)c(Cl)c3)nc3cc(Cl)ccc32)cc1 40846735 UZMUWRIAWSRDEC-UHFFFAOYSA-N 423.130 7.383 0 1 HKAF CN(C)CCN(C)Cc1ccc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1 45229703 MCVUEQCTWAVQKL-UHFFFAOYSA-N 421.972 5.253 0 1 HKAF CCCOc1ccc(Oc2ccc(-c3ccc([C@H](C)NC(=O)OCC)cc3)cc2)cc1 45245886 YCYHYYKMSYCYJJ-IBGZPJMESA-N 419.521 6.742 0 1 HKAF CCCC[C@H](CC)OC(=O)[C@H]1CCC[C@H](NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 59894606 DHMWTPQCLPNDHA-MKGMMDIRSA-N 418.622 5.325 0 1 HKAF CCCCCCNC(=O)c1nn(-c2ccc(F)cc2F)c(-n2c(C)ccc2C)c1C 66259890 UXFOBTSZLFVGIK-UHFFFAOYSA-N 414.500 5.177 0 1 HKAF Fc1ccc(-c2nc3sc(Cc4ccc(Cl)cc4)nn3c2Br)cc1 71294467 TYLBPPWDXGSGSA-UHFFFAOYSA-N 422.710 5.604 0 1 HKAF C[C@@H](C(=O)O)c1ccc(C[C@H]2CCCC2=O)c(-c2ccc(OC(F)(F)F)cc2)c1 72105289 DTDDOMGQKGSJSR-CXAGYDPISA-N 406.400 5.352 0 1 HKAF Cc1oc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccco2)nc1-c1ccccc1 82165399 LHBWQFGUNZPENH-UZLBHIALSA-N 414.509 6.358 0 1 HKAF Cc1nc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccco2)oc1C 82165605 KVQPBFAXEZDHEH-UHFFFAOYSA-N 402.498 5.918 0 1 HKAF Cc1oc(-c2cnc(N3CCC(C)CC3)nc2-c2ccco2)nc1-c1ccccc1 82165899 LHLVEJWJJRZBAR-UHFFFAOYSA-N 400.482 5.603 0 1 HKAF Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)C[C@@H]1C=C(C(F)(F)F)C=C[C@@H]1C2 84653976 VUDCUVCODCIJBC-NEPJUHHUSA-N 409.860 5.604 0 1 HKAF O=C(N[C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]12)C(C1CCCCC1)C1CCCCC1 84670370 USIBBSAAJMNUPN-NXCFDTQHSA-N 422.657 5.790 0 1 HKAF COc1cc(Cn2c(-c3cccc(F)c3)nc3cc(C)ccc32)cc(OC)c1OC 95553215 XORCXHOTCQUQAK-UHFFFAOYSA-N 406.457 5.225 0 1 HKAF Cc1cc(C(N)=O)c(-c2cccc(OC(=O)NCCCCCCc3ccccc3)c2)o1 95556731 FCEQLURFAJQTRC-UHFFFAOYSA-N 420.509 5.245 0 1 HKAF CCCCCCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1 95602588 AFGZZNBQSVRQPB-UHFFFAOYSA-N 407.772 7.622 0 1 HKAF CS(=O)(=O)N(Cc1ccc(F)c(C(F)(F)F)c1)c1cc2ccccc2s1 115232122 XOSZOMZQTZIXRB-UHFFFAOYSA-N 403.422 5.025 0 1 HKAF C[C@H](NCc1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118922309 HNPFUHUXZIRHMG-MEMNXJRESA-N 407.642 6.105 0 1 HKAF CO[P@](=O)(Nc1cc(-c2ccc(F)cc2)sc1C(=O)O)c1ccc(C)cc1C 149032114 RHLPZOQCCIGQLG-MHZLTWQESA-N 419.414 5.446 0 1 HKAF CC(=O)CCCCCCCCCCCCC[C@@H](O)CCCCCCCCCC(C)C 153400936 CTAVBJVWNWUPBV-MUUNZHRXSA-N 424.754 9.175 0 1 HKAF COc1cc(N[C@H](C)CCCN)c2ncccc2c1Sc1cccc(Cl)c1 169317146 WRCDRPQUTNRJBM-CQSZACIVSA-N 401.963 5.587 0 1 HKAF O[C@@H](CC[C@@H]1CCCCN1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 169334005 HQYLIBYURVWNMB-NHYWBVRUSA-N 406.370 5.228 0 1 HKAF C=C(Br)C(=O)Nc1cccc(/C=C/C(=O)Nc2cccc3ccccc23)c1 169348569 VTVOOVNZGQBQSW-OUKQBFOZSA-N 421.294 5.339 0 1 HKAF Cc1ccc(-c2cccc3cc(S(=O)(=O)Nc4ncns4)ccc23)c(Cl)c1 206116675 BKZFGGWIFWZAJL-UHFFFAOYSA-N 415.927 5.121 0 1 HKAF C/C=C(\C)[C@H](O)[C@@H](C)/C=C(\C)C/C=C\C(C)=C/Cc1nc(OC)c(OC)c(O)c1C 238758966 ZQLBCAUKNYXILZ-XQBROFSQSA-N 415.574 5.457 0 1 HKAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3ccoc3C3CC3)[nH]c2c1 586902220 WGYBJDRAKNYSBC-UHFFFAOYSA-N 413.886 5.155 0 1 HKAF Cc1c(Cl)ccc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c12 586982359 KFXFRYNWACHJHP-OAHLLOKOSA-N 405.767 6.660 0 1 HKAF Cc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1F 587070549 HRUNHBDEWPKUPQ-INIZCTEOSA-N 403.885 5.472 0 1 HKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(S)nc(S)nc2[nH]1 587072764 WKMMGYFJGNXOCN-QESQTXLRSA-N 423.394 5.603 0 1 HKAF Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3ccccc3[nH]2)cc1 587075222 GCGKJRAILOLGPF-BMRADRMJSA-N 407.904 6.918 0 1 HKAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(F)cc(Br)cc2[nH]1 587075370 CEPZPYCGTKGPCG-UHFFFAOYSA-N 418.653 5.553 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1[nH]c3c(C)cccc3c1CC4)-c1ccccc1C2=O 587097515 PYUJZMZJOCDHQH-UHFFFAOYSA-N 400.481 6.310 0 1 HKAF COc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1OC[C@H]1CO1 587100990 JGOGJNBOARIKHJ-QGZVFWFLSA-N 423.468 5.208 0 1 HKAF Cc1ccc2c(ccc3nc(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)[nH]c32)n1 587110391 UKWICONEUUZXRH-UHFFFAOYSA-N 409.333 6.048 0 1 HKAF CCCOc1cc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c2cc1Br 587169975 GWHOELZKXJLRAT-GFCCVEGCSA-N 423.351 6.149 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C1CCCC1 587226566 RGQNTAMRIAMESE-OAHLLOKOSA-N 417.859 5.991 0 1 HKAF Cc1c(Br)cc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1C 587227543 ZKYBHIPLYKTGRF-KRWDZBQOSA-N 422.367 5.698 0 1 HKAF C[C@@]1(c2cccc(OC(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327188 FNGPYZQHLSKNRE-REWPJTCUSA-N 414.379 5.407 0 1 HKAF O=C1c2ccc(O)cc2OC(c2ccsc2)(c2ccsc2)[C@@H]1c1ccc(F)cc1 587375548 MTSUOCSOXVTJPZ-OAQYLSRUSA-N 422.502 5.957 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Br)c4ccccc14)[C@@H](C2)C3=O 587418162 SFDNXZWTKZMGBL-HTAPYJJXSA-N 409.279 5.274 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(F)(F)F)nc3ccccc13)CC2=O 587464076 HYNUWGDOEIUKBY-LJQANCHMSA-N 401.384 5.618 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(N(C)C)cc1)CC2=O 587469946 QRECABZHLRBBRD-AREMUKBSSA-N 401.506 5.320 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3oc(CC)c(C(C)=O)c3c1)CC2=O 587482988 QALJKFDWOHIQBC-VWLOTQADSA-N 406.478 5.737 0 1 HKAF Cc1cc(Br)c2c(c1)[C@]1(CCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587498712 PPKBORKUSKSBDL-QFIPXVFZSA-N 413.311 5.280 0 1 HKAF CN(C)/C=C\[C@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510993 ZKPQDNLMFRZRQJ-OILJVOJPSA-N 415.455 5.520 0 1 HKAF COc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(C(C)(C)C)cc1C(C)(C)C 587524242 KWHMPAKEYHADTK-XMMPIXPASA-N 420.593 6.876 0 1 HKAF O=C1C[C@@H](c2ccc(Sc3ccc(Cl)cc3)nc2)Oc2c1ccc1c2CCCC1 587534409 YZRVXIBQCABTEQ-QFIPXVFZSA-N 421.949 6.472 0 1 HKAF CC(C)(C)Oc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587595868 PEESWQGMYRTDNU-OFVILXPXSA-N 404.462 5.447 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)(F)F)c(Cl)c2)N1 587716294 ZEIUILOVLUDHPC-ZKANADHPSA-N 422.647 5.884 0 1 HKAF CC[C@H](OC)c1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587794557 OXEYCCBIHWHTOM-LZHZSBQWSA-N 406.339 5.483 0 1 HKAF CC(C)CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587795345 REEAIQFYKAZWEQ-QKKBWIMNSA-N 406.339 5.637 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCSc3ccc(Cl)cc32)N1 587858673 SVANQUFCZHRXRA-MLCYQJTMSA-N 412.755 5.515 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1ccccc1F 587864392 FCWZTVSRWXCRCT-ZDUSSCGKSA-N 422.378 5.214 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 587866380 ZJUVVDQAPXQUGC-QFBILLFUSA-N 406.448 5.846 0 1 HKAF CSc1ccc(-c2csc(-c3ccc(NC(=O)c4cccs4)cc3)n2)cc1 587925126 OOQYBGPWJUBBEP-UHFFFAOYSA-N 408.573 6.513 0 1 HKAF Cc1c([C@H]2NCCc3cccc(-c4ccccc4)c32)c(C)n(C[C@H]2CCCO2)c1C 962667681 PIXUFSJJSPKTLC-YIXXDRMTSA-N 400.566 5.494 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cccc(OC)c1OCc1cccc(F)c1 963233964 DPPWRJOEFOQAAO-AFMDSPMNSA-N 419.540 6.159 0 1 HKAF Cc1cc(=O)oc2cc(NC(=O)CCc3ccc(NC(=O)CC(C)(C)C)cc3)ccc12 1772603533 SRZYRUPXVJYMEX-UHFFFAOYSA-N 420.509 5.047 0 1 HKAF COc1ccc(C[C@@]2(C(N)=O)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@@H]23)cc1 1772611890 AIWCRDVOVAUPAC-IEUSDUHPSA-N 405.582 5.537 0 1 HKAF Fc1ccccc1Nc1ncnc2c1[C@H](c1ccccc1)c1ccc3ccccc3c1O2 1772634773 WOVIEAOYKYEDQI-HSZRJFAPSA-N 419.459 6.798 0 1 HKAF Cc1cccc(C)c1-c1cccc(COC2=C[C@@H]3SC(CCC(=O)O)=C[C@@H]3S2)c1 1772636816 CNLZRXZDFVSSKZ-SFTDATJTSA-N 424.587 6.308 0 1 HKAF COc1ccc(OC[C@H]2c3sccc3CCN2C(=O)c2cccc(Cl)c2)cc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c2ncnc(N)c21)CC[C@@]1(C)[C@@H]2CC=C[C@H](C)[C@@]2(C)CC[C@H]1C 2356835782 AVKUYBSJNRGSEL-PHJZJKEYSA-N 422.641 5.815 0 1 HKAF C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(-c2ccoc2)cc1F 13661951 MSAYVNPLYDDUJO-ZSVIPDLTSA-N 401.481 5.998 0 3 HKAF C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 118912910 WQLVFSAGQJTQCK-WQTXETNISA-N 414.630 5.714 0 3 HKAF in-vitro CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 4215706 IIPZTAMXPAQETP-RVHYNSKXSA-N 402.535 5.779 0 1 HKAF CCc1ccc(NC(=O)N(Cc2cn(C)c3ccccc23)C2CCCCCC2)cc1 4912297 BKTJYLKPCCNMKZ-UHFFFAOYSA-N 403.570 6.498 0 1 HKAF C[C@@H](c1ccccc1)c1cc([C@@H](C)c2ccccc2)c(O)c([C@H](C)c2ccccc2)c1 4977570 BYLSIPUARIZAHZ-RJGXRXQPSA-N 406.569 7.848 0 1 HKAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ccccc3)cc2)c1C 13437992 OOPZGJDTSUDOLS-UHFFFAOYSA-N 404.491 5.426 0 1 HKAF CC(=O)N1c2ccc(NC(=O)COC(C)(C)C)cc2[C@](C)(c2ccccc2)CC1(C)C 13611351 FXRVLZMVHRWGFU-SANMLTNESA-N 422.569 5.281 0 1 HKAF Cc1ccccc1S[C@H]1C(=O)C[C@@](CCc2ccccc2)(c2ccccc2)OC1=O 13766561 CBOOFXWOJSMVFK-AHWVRZQESA-N 416.542 5.500 0 1 HKAF C=C1OC(=O)C(CCCCCCCCCCCCCc2ccc3c(c2)OCO3)=C1O 14557335 CRCRYZRLFQWUDJ-UHFFFAOYSA-N 414.542 6.522 0 1 HKAF biogenic,in-vitro N=C(N)c1ccc2cc([C@@H]3C[C@@H]3c3ccc4c(c3)C(C3CCCCC3)=NCC4)ccc2c1 28366621 OOFRCFJPOZMMHV-IZZNHLLZSA-N 421.588 6.320 0 1 HKAF O=C(O)c1cccc(CN2CCC(c3cn(Cc4ccoc4)c4ccccc34)CC2)c1 28368976 QRECNMQKODONJM-UHFFFAOYSA-N 414.505 5.360 0 1 HKAF C[C@H](O)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CC[C@H]1CC(=O)O 29054398 IOOHYRULMOUFEG-RYUDHWBXSA-N 419.905 5.600 0 1 HKAF CCCN1N=C2/C(=C/c3ccc(Cl)cc3)CSC[C@H]2[C@@H]1c1ccc(Cl)cc1 29254219 AMICBVLQRJCZEG-MRLNFSDASA-N 417.405 6.563 0 1 HKAF O=Cc1[nH]c(C(=O)OCc2ccccc2)c(Cc2ccccc2)c1Cc1ccccc1 29469682 YMNXQSFLXVQYBZ-UHFFFAOYSA-N 409.485 5.366 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C 31539353 ZBFPGLKEWSMWSG-NFIHCTFXSA-N 424.713 8.255 0 1 HKAF COc1cccc([C@@H]2N=NC(C3=C(O)c4ccccc4C3=O)=C[C@H]2c2ccccc2)c1 34133095 XRUPTUVYTZURRN-URXFXBBRSA-N 408.457 6.035 0 1 HKAF biogenic CSc1ccc([C@@H]2CC(c3cccc(Br)c3)=NN2c2ccccc2)cc1 49784431 WTAMQIHVJOLSOX-QFIPXVFZSA-N 423.379 6.527 0 1 HKAF Cc1ccc(C(=O)C[C@@H](Nc2ccc(C(F)(F)F)cc2)c2cccc(F)c2)cc1 49863705 GTKTZABDUWZNTK-OAQYLSRUSA-N 401.403 6.579 0 1 HKAF COc1cc(-c2ccc(N[C@@H](C)c3ccc(F)cc3)nc2)ccc1-n1cnc(C)c1 72177160 BXAPMBNECRYOIY-KRWDZBQOSA-N 402.473 5.564 0 1 HKAF CCCCNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccccc2F)n1 82159933 JFSQJLUSRGTJBT-JRYVEOFUSA-N 424.564 5.295 0 1 HKAF CC1=CCCC(C)(C)[C@H]1/C=C/c1cc(C(=O)N2CCN(c3ccccc3)CC2)no1 95579016 LKAMVAXWRGYUEG-LEQVUBRHSA-N 405.542 5.033 0 1 HKAF Clc1cccc(Nc2ncnc3ccc(NCc4ncc5ccccc5n4)cc23)c1 96934385 OPYODTDHUXNXGN-UHFFFAOYSA-N 412.884 5.582 0 1 HKAF CC(C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1cccs1 100703374 SVMXJQPRLZYLPQ-HNNXBMFYSA-N 401.557 5.594 0 1 HKAF O=C(CSc1nnccc1-c1cccc2ccccc12)Nc1cccnc1Cl 103300207 HEZYTZIMUMMVBW-UHFFFAOYSA-N 406.898 5.076 0 1 HKAF Cc1cccc(-c2nc3n(n2)[C@H](c2ccc(O)cc2)C2=C(O)CC(C)(C)CC2=N3)c1 103541954 DKNCXPFQSNHVKG-OAQYLSRUSA-N 400.482 5.267 0 1 HKAF CCC[C@@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(CC)cc1)CCCC3 113125376 AKBBHUWFVVUZJB-LJQANCHMSA-N 407.579 6.681 0 1 HKAF Cc1cccc(NC(=O)c2cccc(Oc3ccnc(-c4cc(C(=O)O)c[nH]4)c3)c2)c1 116233784 BNQPYLKCEUFMIL-UHFFFAOYSA-N 413.433 5.128 0 1 HKAF [3H]C([3H])([3H])N1CCCC[C@@H]1[C@@H](NC(=O)c1cccc(C(F)(F)F)c1Cl)c1ccccc1 169307162 XPXKFXNVIAOBEI-AOFGKBOCSA-N 416.891 5.314 0 1 HKAF Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc(Cl)cc2)n1 205826842 JZBHLGSHOCEGCN-OAHLLOKOSA-N 403.917 5.679 0 1 HKAF C[C@@H](CCc1ccc(F)cc1)[C@H](C)c1cc(O)c2c3c(c(=O)oc2c1)CC[C@@H](C)C3 221709024 LEEMUPFGEQLFDT-IKGGRYGDSA-N 408.513 6.135 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)c(C)cc1O 238770927 MGUSWYZUFQZBMT-CECMFTGFSA-N 422.521 6.054 0 1 HKAF C[C@H](C(=O)OCC(=O)c1ccccc1)c1ccc2c(c1)SC[C@@H]1CCCC[C@H]1C2=O 253638608 QPPLHRWKCMWRRN-FFZOFVMBSA-N 422.546 5.311 0 1 HKAF CC(C)[C@H]1CC[C@@]2(C)C1=CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]21C 255220337 IVGYNKMUKVTWBT-ZNABNZNXSA-N 408.714 8.974 0 1 HKAF Cc1cccc(-c2ccccc2)c1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586879999 WEAZIAPACTXCIN-UHFFFAOYSA-N 416.424 5.499 0 1 HKAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3c(Br)ccc(Br)c3[nH]2)cc1 586889258 LYQOTORBXPWMTH-QLJPJBMISA-N 424.136 5.233 0 1 HKAF CCCCCOc1cc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1Br 586903598 QGVMWCVGTURDCO-DNVCBOLYSA-N 415.331 5.463 0 1 HKAF Cc1ccc2c(ccc3nc(COc4ccc(Cl)cc4Br)[nH]c32)n1 586975657 HGVIAGZDNVANFQ-UHFFFAOYSA-N 402.679 5.414 0 1 HKAF Brc1ccc([C@@H](c2nc3cnc4ccccc4c3[nH]2)N2CCCC2)cc1 586984818 POCCIFGRQDULBH-FQEVSTJZSA-N 407.315 5.059 0 1 HKAF Cc1cc(Cl)c2c(c1)-c1nc3ccc(O)c4c3c(c1CCO2)-c1ccccc1C4=O 586984931 CCPHYJOFJOOKMF-UHFFFAOYSA-N 413.860 5.716 0 1 HKAF Cc1c(-c2ccccc2C(F)(F)F)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987298 VJCFABDNESUHQQ-UHFFFAOYSA-N 405.375 6.146 0 1 HKAF Cc1c(-c2ccc3c(c2)cc(O)n3C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987390 OGYHJOJYBGRSNS-UHFFFAOYSA-N 406.441 5.325 0 1 HKAF Cc1ccc2c3c(cc([C@@H]4C[C@H]4c4c(F)cccc4Cl)nc13)-c1ccccc1C2=O 586994726 DQEMKSHTESHTGS-QZTJIDSGSA-N 413.879 6.818 0 1 HKAF CC(=O)c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 586996975 ACYFEAUHFMVWET-FLIBITNWSA-N 407.267 5.958 0 1 HKAF Clc1cccnc1-c1nc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cs1 587017589 NJNCVQIGJSMVDN-UHFFFAOYSA-N 418.909 5.981 0 1 HKAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)s1 587023386 OUKMHGDNUXBENR-UHFFFAOYSA-N 408.483 5.826 0 1 HKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(F)c(Br)ccc2[nH]1 587066659 PZZKEBLSQOTIDW-UHFFFAOYSA-N 404.670 5.884 0 1 HKAF Cc1ccc2c3c(cc(-c4cn(Cc5ccccc5)nn4)nc13)-c1ccccc1C2=O 587097290 MXRGNEHHKKBIJM-UHFFFAOYSA-N 402.457 5.061 0 1 HKAF Cc1c(Br)cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c1C 587232214 OPGCDWALCDUJSY-UHFFFAOYSA-N 410.315 5.492 0 1 HKAF Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2n1C 587341608 KAZQQOPAVRISRB-AZGAKELHSA-N 415.464 5.606 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1OCc1ccc(Cl)cc1)[C@@H](C2)C3=O 587420908 JZFUBBZZDYFGIV-CPJSRVTESA-N 420.892 5.590 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1ccccc1C(=O)O)CC2=O 587491877 WLWULLDBCKWVCC-HSZRJFAPSA-N 402.446 5.416 0 1 HKAF CC(C)C[C@@]1(c2cccc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587501705 JQEMFFOEANLVMT-QHCPKHFHSA-N 413.355 6.235 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)cc1C(F)(F)F 587549871 SJGVOCBVOQKJPZ-FXAWDEMLSA-N 420.770 5.767 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1ccccc1Cl)CC2 587549948 UBYSHTCHTAYWMQ-NRFANRHFSA-N 421.880 5.046 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ccc3ccncc23)N1 587694313 HAUJJWAVBATPPN-OVWNDWIMSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SC(F)(F)F)cc2)N1 587714760 AWFWXICSPGKFRW-FVMDXXJSSA-N 420.269 5.824 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cccc(F)c2)N1 587727862 CDXSIQCPJDZSSC-MPBGBICISA-N 403.270 5.142 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3F)s2)N1 587728103 RADYSJVQKZJTAE-BIBXISHDSA-N 420.322 6.079 0 1 HKAF Cc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587752155 CEHHNUGJENANJV-IVZQSRNASA-N 413.334 5.619 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3cc(Br)cc(F)c3[nH]2)c1 587780214 OGTOBDBLNBPTFS-UHFFFAOYSA-N 411.274 6.197 0 1 HKAF CCCCCCc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587814939 JGBQJPMRTOGUCX-WAIKUNEKSA-N 418.394 6.509 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(-c3ccccc3)s2)N1 587852158 DLMBEKVWDRARCL-BBATYDOGSA-N 403.320 5.335 0 1 HKAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1nccs1 587852563 HHPOYTXYHOBMEM-MLCYQJTMSA-N 420.351 5.076 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3sccc3nc2Cl)N1 587855934 HJSWULQMISGDBB-PWJLMRLQSA-N 411.727 5.475 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(OC)cc(OC)c4[nH]3)c2C)c(OC)c1 587928371 ASSYAAHMPDVBLE-UHFFFAOYSA-N 404.466 5.240 0 1 HKAF COc1cccc(C2(c3nc4ccc(Sc5ccccc5)cc4[nH]3)CCCC2)c1 587933615 SOTBHCBVWIROPT-UHFFFAOYSA-N 400.547 6.583 0 1 HKAF Cc1ccccc1[C@H](CC(=O)c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O 957602573 CVRVXTKOVUFZST-NZQKXSOJSA-N 418.876 5.423 0 1 HKAF COc1ccc2c(c1OC)[C@H](c1csc(-c3ccccc3Cl)n1)N(C)[C@H](C)C2 962615998 AVZWIUIEWVURCA-XCLFUZPHSA-N 414.958 5.447 0 1 HKAF Cc1sc2c(c1C)CCN[C@]2(C)Cc1cc2c(c(OCc3ccccc3)c1)OCO2 963016717 BXMUQQLQFXFNJS-RUZDIDTESA-N 421.562 5.276 0 1 HKAF CCOC(=O)[C@]1(c2cc(Cl)sc2Cl)c2c(F)cccc2C[C@H]2CCCN21 963102830 SERIEHUAFKBUNZ-BLVKFPJESA-N 414.329 5.021 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCc1cccc(Br)c1)C1CC1 963236123 XLOVDXNLOHMZDG-MHECFPHRSA-N 412.415 6.344 0 1 HKAF O=C(O)c1ccc(-n2cc(CNc3ccc(F)c(Cl)c3)c(-c3ccccc3)n2)cc1 1772571823 GQFDTXRMZFYSIF-UHFFFAOYSA-N 421.859 5.642 0 1 HKAF Cc1ccc(NCc2nc(-c3cccc(C)n3)c(-c3cc4cnccc4s3)[nH]2)cc1 1857579852 HXZZGSJNQKWJEX-UHFFFAOYSA-N 411.534 5.977 0 1 HKAF CC(=O)OCC(C)=CCCC(C)=CCC[C@]1(C)C=Cc2c(c3ccccc3oc2=O)O1 2356375985 KQUCHSKUSYALBF-AREMUKBSSA-N 422.521 5.973 0 1 HKAF CC(=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@H](CO)CC[C@]4(C)[C@@H]3CC[C@]12C)[C@@H](C)C(C)C 2356379116 IMPDGJJMUUPFGN-QMFRCEDJSA-N 414.718 7.738 0 1 HKAF COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]21 2356523800 GBNDVFBBFXZTRE-IEZKXTBUSA-N 400.559 5.317 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356575022 XXGBPWONQCELLQ-NXOHFOIRSA-N 404.679 6.439 0 1 HKAF CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 5598948 RTLUSWHIKFIQFU-CALVTRAGSA-N 412.702 8.089 0 1 HKAF CCc1nc2c(n1[C@@H](CC)C1CC1)C(=O)N(C)CN2c1ccc(Cl)cc1Cl 13582807 CZLLITQMQKMSFD-HNNXBMFYSA-N 407.345 5.295 0 1 HKAF COc1c(C(C)=O)c(O)c(OCc2ccc(OCc3ccccc3)cc2)c2occc12 13682377 PCUJGNURAQMQRC-UHFFFAOYSA-N 418.445 5.508 0 1 HKAF C/C(=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O)CC[C@@]1(C)[C@@H](C)CCC(=O)[C@H]1C 14856826 IJEHYEVNWOYGMS-PRUATBDLSA-N 406.950 5.783 0 1 HKAF Cc1c(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)ccc2cc(C(=O)O)ccc12 27103651 JUEOREMQNABTLC-UHFFFAOYSA-N 412.529 6.687 0 1 HKAF CCCCOc1cc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)ccc1OC 27109552 CEAQMBDWWQORDQ-UHFFFAOYSA-N 408.523 5.549 0 1 HKAF Cc1c(Cl)c(O)c2c(c1C=O)O[C@](C)(/C=C/[C@]1(C)[C@H](C)C(=O)CC[C@H]1C)CC2 27416493 KWVYJSFOCKXTCX-CNIDWTKBSA-N 404.934 5.448 0 1 HKAF CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5[nH]ncc5c4)c3c2C)cc1 28568030 BTCBHDFRJJQYRE-UHFFFAOYSA-N 412.497 5.364 0 1 HKAF OC1(c2ccccc2)CCN([C@@H](c2ccccc2)c2ccccc2Br)CC1 28708209 JTMATQKFBDAKLY-QHCPKHFHSA-N 422.366 5.522 0 1 HKAF COc1ccc(-c2nn3ccc(Cl)cc3c2-c2ccnc(NC3CCCC3)n2)cc1 29039880 WBUORVQAXRFRCG-UHFFFAOYSA-N 419.916 5.475 0 1 HKAF COc1cc(OC)c2c(c1)[C@H](CCCCCC[C@@H]1CC[C@@]3(CC[C@H](C)O3)O1)OC2=O 34011640 MDVWGBKYBVEXHU-SKYHNFRHSA-N 418.530 5.330 0 1 HKAF biogenic CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](N(C=O)C5CCCCC5)CC[C@@H]4[C@@H]3CC[C@@H]12 36189605 GWOHHTZQGRQPDS-KVVTXAHISA-N 414.634 5.010 0 1 HKAF CCCCCCC1=CC(=C(Br)Br)N(c2ccccc2)C1=O 36401676 QOQCZODDZJFSNP-UHFFFAOYSA-N 413.153 5.889 0 1 HKAF Cn1c(-c2ccc(-n3ccnc3)cc2Cl)nnc1C1(c2ccc(Cl)cc2)CCC1 40431134 WIHGHYGCPZDKII-UHFFFAOYSA-N 424.335 5.445 0 1 HKAF CNc1nc(NCc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c2ccccc2n1 45283645 KAMBUPZZPWFSKM-UHFFFAOYSA-N 417.900 5.189 0 1 HKAF CCOC(=O)c1cc(-c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1 45303294 KCQVVMNHQSHZOS-UHFFFAOYSA-N 404.266 5.104 0 1 HKAF CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H]([C@H]5COC(=O)C5)CC[C@]4(C)C3=CC[C@@H]12 72127828 JUXMUKOXQMUUKD-NGKMTSHWSA-N 400.603 5.516 0 1 HKAF in-vitro CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2ccccc2F)C1 82151205 FVMAFWZWUAGERK-MSOLQXFVSA-N 412.553 5.026 0 1 HKAF CCCCc1ccc(-c2cc(NCc3ccc(OC(F)(F)F)cc3)ncn2)cc1 82160172 HUCQBZFFYZXNHI-UHFFFAOYSA-N 401.432 5.997 0 1 HKAF CC[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCc3ccc(F)cc3)ncnc21 82185522 FOSVYLCLNOBUGP-OAHLLOKOSA-N 423.923 5.944 0 1 HKAF Cc1noc(-c2ccc3c(c2)c2c(n3CCCOc3cc(F)cc(F)c3)CCCC2)n1 95573452 GFRRDXNITYHDER-UHFFFAOYSA-N 423.463 5.626 0 1 HKAF O=C1c2ccccc2-c2c1c(Nc1ccncc1)nc1ccc(Br)cc21 96907757 XBPJCCCHSAFDKG-UHFFFAOYSA-N 402.251 5.347 0 1 HKAF Clc1ccc(-c2cc3ncc4c(-c5cccnc5)nn(-c5ccccc5)c4n3n2)cc1 96914394 IVVSNFMWMHFKDC-UHFFFAOYSA-N 422.879 5.451 0 1 HKAF CCc1c(OC)c(=O)ccn1CCCCCCNc1ccnc2cc(Cl)ccc12 96917795 HEBPVQYVXDVUOZ-UHFFFAOYSA-N 413.949 5.293 0 1 HKAF COc1cccc([C@@]2(O)/C(=C/c3ccccc3)CCC[C@@H]2CN(C)c2ccccc2)c1 98084563 QHGNABMBLIIATG-YPDURGLJSA-N 413.561 5.903 0 1 HKAF c1ccc2c(c1)CN([C@H]1CC[C@H](c3ccc(OCCCN4CCCCC4)cc3)CC1)C2 101437320 IEPREURIPCPAKP-KICRTILUSA-N 418.625 5.983 0 1 HKAF COc1ccccc1[C@@H]1c2c(C(C)C)n[nH]c2CN1c1ccc(-c2ccsc2)cc1 117669152 DTXRJGKAECMPJW-RUZDIDTESA-N 415.562 6.380 0 1 HKAF [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc4[nH]ccc4c3)o2)[C@H](C)O)c(C)c1Cl 143543490 QQUWBCBRGBPVEX-HXPMCKFVSA-N 407.861 5.265 0 1 HKAF CC[C@H](/C=C\[C@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 255222153 JZVFJDZBLUFKCA-UQOPZPBXSA-N 412.702 7.801 0 1 HKAF CCCCn1c(Cc2ccc(OCC)cc2)nc2cc(C(=O)N(CC)CC)ccc21 299840887 ZZYZZOOPUSCGBY-UHFFFAOYSA-N 407.558 5.308 0 1 HKAF FC(F)(F)c1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cc1Cl 586995325 KFFZEWJXIUHRMP-UHFFFAOYSA-N 418.644 5.652 0 1 HKAF FC(F)(F)Sc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 587007455 YQNPPKLGZUQDTQ-UHFFFAOYSA-N 413.222 5.252 0 1 HKAF FC(F)(F)c1cnc2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2c1 587063771 WMEPMTHJBJKHKY-UHFFFAOYSA-N 403.791 5.876 0 1 HKAF CC(C)COc1cc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2cc1Br 587068517 ARXKRSDZUPKZSP-UHFFFAOYSA-N 421.722 5.439 0 1 HKAF O=C(Cc1ccc(Cl)cc1)c1nc2cc(-c3nc4ccccc4s3)ccc2[nH]1 587068770 DDMMMOJZGJUJQX-UHFFFAOYSA-N 403.894 5.918 0 1 HKAF Clc1ccc(CC/C(=C\c2nc3ccc4ncccc4c3[nH]2)c2ccccc2)cc1 587074163 UDLJBGRKVWNXCL-LVZFUZTISA-N 409.920 6.938 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2c1 587080332 BZASCVZKRWFTKU-UHFFFAOYSA-N 403.869 5.048 0 1 HKAF Cc1nc2cccc3c2c(c1Cc1ccc(Br)cc1)-c1ccccc1C3=O 587102836 ZKEWKUDSIFYWTE-UHFFFAOYSA-N 414.302 6.108 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cnn(-c2ccc(F)cc2)c1CC3 587103507 IFFBFTHXWHECRL-UHFFFAOYSA-N 417.443 5.537 0 1 HKAF FC(F)(F)c1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c(Br)cn1 587115453 VBNHWXANWZTFNL-UHFFFAOYSA-N 411.996 5.108 0 1 HKAF CC(C)(C)c1ccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2n1 587141595 WJPHAZQNAXVUIZ-UHFFFAOYSA-N 409.505 6.493 0 1 HKAF O=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1)c1ccc(F)cc1 587162811 JTIBSMPTIVDTDZ-UHFFFAOYSA-N 400.240 5.928 0 1 HKAF O=C(CCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccc(F)cc1 587163748 VFVQKZDTLNBCFA-UHFFFAOYSA-N 415.184 5.299 0 1 HKAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587233673 SFOPXPXKRVJSLD-JOYOIKCWSA-N 403.832 5.396 0 1 HKAF CCCCCOc1cc2nc(-c3cccc(NC(N)=O)c3)[nH]c2cc1Br 587241661 FRBIYWYQZQTPKH-UHFFFAOYSA-N 417.307 5.052 0 1 HKAF CCc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2ccccc12 587356510 PSLGKNJEGKYLTO-BVAGGSTKSA-N 416.448 6.114 0 1 HKAF Cc1cccc([C@@]2(C(C)(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587359103 ZNIZWAIQSOMFQU-ZEQKJWHPSA-N 404.481 6.140 0 1 HKAF COC(=O)c1ccc(-c2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)c(F)c1 587385488 OJJGZHGLYPYXDU-RUZDIDTESA-N 419.452 5.051 0 1 HKAF Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587390777 IUFNXYRUAZMJHK-DEOSSOPVSA-N 409.489 5.445 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1Cl)(c1ccccc1OC)CC2=O 587459129 CAHYLFNTAVTUBW-RUZDIDTESA-N 422.908 5.916 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccc(F)cc1)(c1ccc(C)cc1)CC2=O 587469243 YVZUJYQEXSJSEM-AREMUKBSSA-N 404.481 5.896 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCc3cccc(OC)c3)c1)CC2=O 587476424 CLGZHYJKJPYFBV-VWLOTQADSA-N 418.489 5.639 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3ccc(OC)cc3)o1)CC2=O 587477397 FYVVQJLHOGJFOE-QHCPKHFHSA-N 408.450 5.232 0 1 HKAF CCCCCOc1ccc([C@]2(C3CC3)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587480511 KQTXROZWANKKSH-AREMUKBSSA-N 408.538 6.184 0 1 HKAF C[C@@]1(Cc2cc(Cl)cnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553189 UERRBFTYSQOWFY-UTKZUKDTSA-N 416.260 5.057 0 1 HKAF Cc1ccc(C(C)C)c2c1[C@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606125 BIUXAWIJKXABMQ-NVQXNPDNSA-N 416.473 5.464 0 1 HKAF Cc1c(-c2cc(Cl)cc(Cl)c2O)[nH]c2c1c(Br)cc1n[nH]cc12 587621393 DGCLKFGOXRVBJS-UHFFFAOYSA-N 411.086 5.795 0 1 HKAF Cc1cc(Cl)cc2c(N3CCN(C)CC3)c(-c3ccc(Br)cc3)[nH]c12 587624154 YNBHDPZXHWERNI-UHFFFAOYSA-N 418.766 5.311 0 1 HKAF CC(C)(C)OC(=O)Nc1c(-c2ccc(Br)cc2)[nH]c2cccc(F)c12 587632326 JLIZJACKPNNAEC-UHFFFAOYSA-N 405.267 6.084 0 1 HKAF CC[C@@]1(c2ccccc2OC(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587722025 XOYBUHGAMRVXCW-WYRIXSBYSA-N 414.265 5.377 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2CCCCF)N1 587722773 ZRLMPEIAIYZECR-SZNDQCEHSA-N 408.330 5.678 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(F)cc3)cc2)N1 587730413 FTEAYHHNOSZLRY-XMHCIUCPSA-N 414.293 6.018 0 1 HKAF Cc1oc2ccc(O)cc2c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587826650 FYGQWOQCJBSGRC-WVDJIFEKSA-N 404.279 5.146 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(O)cc3)cc2)N1 587833504 NYEWDTKWFBRTRX-WHEQGISXSA-N 412.302 5.584 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(ccc4ccccc43)o2)N1 587834067 PVPHWZQVULSVBA-NPMABZOXSA-N 424.313 6.285 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccccc3)cs2)N1 587853484 NLAOBNYAFJJOON-VOJFVSQTSA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncnc2ccc(F)cc12 587853984 CJWCUJPQZJHTGC-UHFFFAOYSA-N 403.244 5.327 0 1 HKAF COc1ccc(C2(c3nc4ccc(Br)c(F)c4[nH]3)CC3(CCC3)C2)cc1 587934475 AQBBMOBEKXJMPV-UHFFFAOYSA-N 415.306 5.723 0 1 HKAF O=C(C[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1c(O)c2ccccc2oc1=O 653697655 HWCOJNOQFHOUHY-IBGZPJMESA-N 409.441 5.385 0 1 HKAF COc1cccc(CC[C@]2(c3ccccc3OC)NCCc3cc(C)c(F)cc32)c1 962095585 VQGSULDUORBAFU-AREMUKBSSA-N 405.513 5.173 0 1 HKAF C[C@]1(CCc2ccc(Cl)s2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962634500 HRJNDBILXHQQMU-OFVILXPXSA-N 423.025 5.996 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2cc(Cl)cc(Cl)c2)(C2CCCC2)N1 962943877 DIDKJZSGGHGQOG-NTKDMRAZSA-N 413.392 6.833 0 1 HKAF Fc1cccc2c1[C@](CCC1OCCCO1)(c1ccccc1Cl)N1CCC[C@@H]1C2 963098505 IERJVOAAMUFGSJ-KOSHJBKYSA-N 415.936 5.286 0 1 HKAF Cc1cc(C)c2c(c1)[C@]1(CCC2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963832760 RZICJOWMNAFNEL-LJAQVGFWSA-N 422.572 6.089 0 1 HKAF CC1(C)CC(C)(C)c2cc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2S1 1857563851 IVGCICYCQTUQFU-UHFFFAOYSA-N 424.488 6.781 0 1 HKAF C[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=CC[C@]5(C)CCC(C)(C)C[C@@H]54)[C@]3(C)CC[C@@H]2C1(C)C 2356360402 FGDSPOBRDAKBOX-PEIZPRDHSA-N 424.757 9.444 0 1 HKAF Cc1ccc(O)cc1CC[C@H]1[C@@H]2CC[C@@H]([C@H](C)C=C[C@@H](C)C(C)C)[C@@]2(C)CC[C@H]1O 2356393000 WPPVLVJCHIZUQE-DXLBFRBQSA-N 412.658 6.921 0 1 HKAF C[C@@H](CO)CC[C@@H](O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356543812 YDFJGPFMKWECQA-BNISPXLMSA-N 418.662 5.332 0 1 HKAF CC(=CCN1[CH]N(C)c2ncnc(N)c21)CC[C@@]1(C)[C@@H]2CC=C[C@@H](C)[C@@]2(C)CC[C@H]1C 2356835781 AVKUYBSJNRGSEL-NQFJMFOUSA-N 422.641 5.815 0 1 HKAF O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2cccc(C(F)(F)F)c2)N1c1ccccc1 199730039 JPNXTBQJMDZZBL-JOCHJYFZSA-N 419.406 5.845 0 3 HKAF CCOC(=O)c1cccn1[C@@H]1C(=O)N(Cc2ccc(C(C)C)cc2)c2ccc(F)cc21 206032817 GLLYGNJLZCVOEQ-QHCPKHFHSA-N 420.484 5.064 0 3 HKAF CCOc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C)C(C)C 2481739 PPPJPPYVASFXNG-HNNXBMFYSA-N 412.917 5.835 0 1 HKAF COc1cc(OC)c2c(c1)[C@H](CCCCCCCCCCCCC(C)=O)OC2=O 3825938 MUKFFTYQWKJCKI-NRFANRHFSA-N 404.547 6.186 0 1 HKAF biogenic COc1cc2c(c(OC)c1-c1c(C)cc(OC)c3c(OC)cccc13)C(C)=N[C@H](C)C2 5849410 RYNWWOJXABDOHD-OAHLLOKOSA-N 419.521 5.603 0 1 HKAF biogenic CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CC(=O)O)[C@@H]([C@@]3(C)CCCCC3=O)CC[C@@]21C 13862239 QOKGFICMPVDWTL-VHHOZFFRSA-N 418.662 7.132 0 1 HKAF O=C(c1ccc(Cl)cc1Cl)[C@](Br)(Cn1ccnc1)c1ccccc1 26401412 OFVFLJYYCOTCFY-SFHVURJKSA-N 424.125 5.363 0 1 HKAF CC1=C(CC/C(C)=C/CCC2=CC[C@@H](C3=CC(=O)O[C@@H]3O)OC2=O)C(C)(C)CCC1 26567378 HGIGODMMBPJRDK-NWHOTJJWSA-N 414.542 5.063 0 1 HKAF CC(C)(CCC1CCCCC1)OC(=O)[C@@H]1CCCCN1C(=O)C(=O)C1CCCCC1 26947722 CPBZRXIJQQIMIG-NRFANRHFSA-N 419.606 5.199 0 1 HKAF OC1(c2ccccc2)CCN([C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 28708211 YOAVUYWZADOFCT-QHCPKHFHSA-N 422.366 5.522 0 1 HKAF O[C@H](COc1cccc2ccccc12)CN1CCC(Cc2ccc(Cl)cc2)CC1 28771961 FITAKACFIOKDJH-QHCPKHFHSA-N 409.957 5.188 0 1 HKAF CC1=C(CC/C(C)=C/CC/C(C)=C/CC[C@@H](CC(=O)O)C(=O)O)C(C)(C)CCC1 40834100 JIZGCTSGYQXOKG-KXANKNHWSA-N 404.591 6.922 0 1 HKAF Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1-c1ccccc1 52961950 YRMKSXYNMSJIBT-UHFFFAOYSA-N 408.549 5.706 0 1 HKAF Cc1ccc(-c2c(CN)c(CC(C)C)nc3ccc(CCCCC(=O)O)cc23)cc1 66065931 KURISMVOBQOXGC-UHFFFAOYSA-N 404.554 5.665 0 1 HKAF Cc1nc(C)c(-c2ccc(Nc3nc4c(s3)CCC[C@@H]4c3ccccc3)cc2)o1 73195705 MXADHTDBGAEFOK-HXUWFJFHSA-N 401.535 6.627 0 1 HKAF CC(=O)Nc1ccc([C@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)cc1 100629722 YEEATWOVMYJDQO-XMMPIXPASA-N 403.526 6.133 0 1 HKAF CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CC[C@H]1OC(=O)Cc1cccc2ccccc12 103206838 GXIZVJNENHBUOJ-LJGDZFJRSA-N 416.473 5.302 0 1 HKAF COc1ccnc(Nc2ccc(Cl)c(OCc3cccc(Br)c3)c2)n1 103248616 JXTXKQHOASTKQP-UHFFFAOYSA-N 420.694 5.224 0 1 HKAF O=C(Nc1cc[nH]c(=O)c1)c1cc(F)c(Cl)cc1Oc1ccc(F)cc1Cl 143248019 WLRVZQGFKCYIOQ-UHFFFAOYSA-N 411.191 5.005 0 1 HKAF CCCC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 169621271 XZSOHMWSWMSLPQ-GPYRGFSRSA-N 402.619 5.581 0 1 HKAF CC(C)=CCN1C(=O)[C@@]2(O[C@@H](C)CC3=CCC[C@H]32)c2c(Br)cccc21 195469498 WNIVGPRDFFPVKC-PXARDIRTSA-N 402.332 5.102 0 1 HKAF CC(C)[C@@H](C)[C@H]1C[C@@H]1[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255202713 CMQUZVIEHACIBO-WIZJMHGXSA-N 412.702 7.491 0 1 HKAF O[C@H]1CC[C@H](Nc2cc(-c3nc4ccccc4nc3-c3ccc(F)cc3)ccn2)CC1 261155248 PTMUCXXRIKGRQL-MXVIHJGJSA-N 414.484 5.213 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 261496327 HWOOALPDOJHOPO-XWLASXOESA-N 402.663 6.648 0 1 HKAF endogenous,in-man c1ccc(C2(N3CCCCC3)CCC3(CC2)OCCc2c3[nH]c3ccccc23)cc1 299836349 YYHZDVZFNCJBSL-UHFFFAOYSA-N 400.566 5.891 0 1 HKAF O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cccnc6[nH]5)c34)c12 586885890 XNGFNOAUCATVFJ-UHFFFAOYSA-N 415.452 6.297 0 1 HKAF Cc1c(Br)ccc2nc(CCNc3ccc(Br)cc3)[nH]c12 586995326 KFSQUTYIGYDNQB-UHFFFAOYSA-N 409.125 5.051 0 1 HKAF Cc1ccc2c3c(cc(-c4cccc(NC(=O)C(C)C)c4)nc13)-c1ccccc1C2=O 586996091 MJBJESINNROQLH-UHFFFAOYSA-N 406.485 6.016 0 1 HKAF Clc1ccnc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc12 586999167 XNGGWTAUVQRUKK-VURMDHGXSA-N 400.663 5.804 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccnc(Br)c4[nH]3)c2)c1 587049746 LBIZOYAMOADINO-UHFFFAOYSA-N 412.674 5.520 0 1 HKAF Cc1c(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587076259 STEDHMWHIRUCGV-UHFFFAOYSA-N 412.880 5.608 0 1 HKAF Cc1cc(Cl)cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c12 587141406 QVWWWNHUUGSSRQ-UHFFFAOYSA-N 400.881 6.762 0 1 HKAF CC(C)C[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328946 KYYWLFFYKIUBKB-NOZRDPDXSA-N 424.899 6.485 0 1 HKAF C[C@@]1(c2ccc(F)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337106 RCEQAGOPUGSONA-AHWVRZQESA-N 416.423 6.098 0 1 HKAF C[C@@]1(CCc2n[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344497 GWDQIDGUUDMLHK-ZCYQVOJMSA-N 416.452 5.158 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCC[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 587355879 XGJADAVXYHJPHV-GJQIQAERSA-N 402.465 5.987 0 1 HKAF COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCc1ccccc1C 587398315 DTENHMXDGAEBER-QHCPKHFHSA-N 403.478 5.180 0 1 HKAF O=C1C[C@@H](c2cc(Cl)cc(Br)c2F)Oc2c1ccc1c2CCCC1 587505193 LRRSTVXCDDMNAV-KRWDZBQOSA-N 409.682 5.827 0 1 HKAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cccs1 587530795 HPVFHMMXUCICBS-QHCPKHFHSA-N 420.530 5.921 0 1 HKAF COC1=C(c2ccccc2)Oc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587532120 NABYFYBZPLIXPQ-MUUNZHRXSA-N 424.496 5.834 0 1 HKAF CC1(C)Cc2nc(Cl)ccc2[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587551579 HFKHSVZZWNIUAP-RDPSFJRHSA-N 421.880 5.270 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccn(-c2ccccc2F)c1 587568428 LTKJKCAMHXCJRN-QPPBQGQZSA-N 401.393 5.025 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(F)cc1 587572623 SVCJAMOQKWELTQ-BVAGGSTKSA-N 412.416 5.437 0 1 HKAF CSc1ccc([C@]2(C(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587609872 ALQDZNPRVBRSDZ-QPPBQGQZSA-N 406.503 5.627 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccccn2)o1 587611131 FLRHFBSEKISFJN-REWPJTCUSA-N 417.442 5.234 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(C)(C)C)c([C@](O)(c3ccccc3)C(F)(F)F)c2c1 587640187 FXGYGZPOMWIQCO-NPMXOYFQSA-N 403.488 6.777 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(C(F)(F)F)N1 587707893 XXSDOWOMUWYHRE-GTNSWQLSSA-N 402.229 5.123 0 1 HKAF CC(C)[C@]1(c2ccc(OCCF)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587713231 CMOUFCKYSNPVIL-SPLOXXLWSA-N 424.329 5.370 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)nc2C(F)(F)F)N1 587714298 PFOGUWQDKMSSKR-WJWGPLDTSA-N 423.635 5.279 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCCCF)cc2)N1 587717740 MHHAKQZJZCXZQJ-RNODOKPDSA-N 410.302 5.124 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(SC(F)(F)F)c2)N1 587723437 WZNLPVPFTCRPIX-XXFAHNHDSA-N 420.269 5.824 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C[C@@H](C)c2cn(C)c3ccccc23)N1 587759801 VPMFRHSESMEABN-LPMFXHHGSA-N 415.350 5.849 0 1 HKAF CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCC)c1 587802427 RSFFTJDWKOWXQK-ODXCJYRJSA-N 408.311 5.009 0 1 HKAF Cc1c(C)c(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C 587816231 VNSFPDWTMYMCKC-KPWVOAKYSA-N 404.367 5.928 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2cccs2)N1 587844886 CNPIHCCXTLYPJV-QKKBWIMNSA-N 416.359 5.670 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(Cl)c(Cl)cc1Cl 587861546 TYVZEKJSQFBMNV-UHFFFAOYSA-N 422.621 5.922 0 1 HKAF Cc1ccc(CNc2nc(Oc3cc(Cl)cc(Cl)c3)nc3ccc(F)cc23)o1 653766978 SXOLEFUETPSRBB-UHFFFAOYSA-N 418.255 6.382 0 1 HKAF CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(C(C)C)C(C)C)c1ccccc1CC2 653810921 PDBLYPYGPYLTRV-UHFFFAOYSA-N 423.557 5.137 0 1 HKAF CC(C)[C@@]1(c2cccs2)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961744538 AAFAGFLTWFYIDV-DEOSSOPVSA-N 412.599 5.799 0 1 HKAF C[C@@]1(c2cncc3ccccc23)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962958652 OVFHTUNAZBHWFW-QFIPXVFZSA-N 412.455 5.169 0 1 HKAF Clc1cc(Cl)c2c(c1)[C@](c1ccccc1CN1CCCC1)(C1CC1)NCC2 963113016 UIZPDQKJDRMWIZ-HSZRJFAPSA-N 401.381 5.389 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@]2(c1cccc(Br)c1)C1CCC1 963269500 KAOJJGAQPIBMIC-FQEVSTJZSA-N 406.751 5.301 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@]2(CCc1ccccc1C)c1ccc(F)cc1 963271955 YMQZCMIBTXRPHR-RUZDIDTESA-N 409.932 5.818 0 1 HKAF CC(C)c1ccc([C@@]2(C)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1 963819966 ZOGYGKZGFICTDZ-MUUNZHRXSA-N 410.561 6.280 0 1 HKAF O=C(CNc1ccc(Cl)cc1)NC1CC2(CCCCC2)NC2(CCCCC2)C1 1857648041 DLVVAOINWIKUDK-UHFFFAOYSA-N 403.998 5.026 0 1 HKAF c1ccc(CC2CCN(C[C@@H]3CS[C@@]4(CCCc5ccccc54)S3)CC2)cc1 1911578228 CPJJMPKJBZZIIY-NOZRDPDXSA-N 409.664 5.979 0 1 HKAF CC1(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2CC[C@@H]2[C@H]([C@@]3(C)C=CC(=O)O3)CC[C@]21C 2356411610 UNSQIEVGNLJREE-ZWMWIAOYSA-N 414.630 5.904 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H](CC(=O)O)[C@H]([C@]3(C)CCCCC3=O)CC[C@]12C 2356419395 QOKGFICMPVDWTL-GQTPFHOGSA-N 418.662 7.132 0 1 HKAF CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@@]1(C)[C@H]2CC[C@H]2[C@@H]3[C@H](O)CC[C@@]3(C)CC[C@@]21C 2356555546 ZAAKSNJFLXCMKA-CCMPECSMSA-N 402.663 6.193 0 1 HKAF CC(C)CC=C[C@](C)(O)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356690120 NFWKUHWWUWPAOU-XVGXVLPMSA-N 414.630 5.747 0 1 HKAF CN[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3CC[C@@H]4C(=CC3=C[C@]12C)CC[C@H]1N(C)COC[C@@]41C 2356703971 CLOHFGOUJBKJFY-FNDWQLHSSA-N 412.662 5.388 0 1 HKAF Cc1cccc(N2C(=O)N3[C@@H]4c5ccccc5OC[C@@H]4[C@@H](c4ccccc4)[C@@]3(C)C2=O)c1 15936700 SRCMJMZEAWKGPN-GZJGYMOFSA-N 424.500 5.070 0 3 HKAF C[C@@]1(Cc2ccc(C(F)(F)F)nc2)C(=O)Nc2cc(-c3ccccc3Cl)ccc21 61903837 HFJYUGIEFYHRIL-NRFANRHFSA-N 416.830 5.873 0 3 HKAF Clc1ccc([C@]2(Cn3ccnc3)OCc3c(Cl)cc(Cl)cc32)c(Cl)c1 603206 XHEXDWWNNBFRFC-SFHVURJKSA-N 414.119 5.971 0 1 HKAF CCC1=C(c2ccccc2)c2ccc(OCCN(C)C)cc2Sc2ccccc21 5509288 XIXFFCIPCNOXSS-UHFFFAOYSA-N 401.575 6.461 0 1 HKAF Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3-c3ccccc32)cc1 13534480 AROSNMSHTYIBMN-UHFFFAOYSA-N 418.496 6.075 0 1 HKAF COc1ccccc1CN1CCC(CCC(=O)c2ccc3c(c2)NCCCC3)CC1 13737860 IHHYWELXELLDTG-UHFFFAOYSA-N 406.570 5.319 0 1 HKAF COc1ccc(-c2ccoc2)cc1[C@H]1[C@@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 13830029 WYRUCDCEDBQBNX-VWEGEPFXSA-N 413.517 5.867 0 1 HKAF O[C@@H](COc1cccc2[nH]ccc12)CN1CCC(c2csc3ccccc23)CC1 26640159 MCPFHANRQPOHHM-GOSISDBHSA-N 406.551 5.002 0 1 HKAF COc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccccn3)n2)cc1 28707533 BZPXACIPFALKGB-FQEVSTJZSA-N 418.547 5.631 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccccc2CO)C(C)(C)CCC1 28896116 LCGBKPDOCOKXHF-GYEOHBAKSA-N 405.582 6.649 0 1 HKAF Cc1cc(NC(=O)C2CCCC2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 29042779 GLISFNZNQPNQKS-UHFFFAOYSA-N 423.944 5.601 0 1 HKAF O=C1Oc2ccc(C(=O)c3cccs3)cc2/C1=C/c1ccc(C(F)(F)F)cc1 29398661 DHMCQERYLAXERW-YBEGLDIGSA-N 400.377 5.458 0 1 HKAF O=C(O)CC/C=C\C[C@H]1CO[C@H](c2ccc3ccccc3c2)O[C@H]1c1cccnc1 36242243 QILXQJUTHTWRNC-HEFVDKNTSA-N 403.478 5.449 0 1 HKAF COc1ccc(-c2ccoc2)cc1[C@@H]1[C@@H]2C=CC[C@@H](C)[C@H]2C(=O)N1Cc1ccccc1 36388046 WYRUCDCEDBQBNX-GATLDECVSA-N 413.517 5.867 0 1 HKAF Cc1ccc(C2=CCC(C)(C)c3cc([C@H](O)/C=C/c4ccc(C(=O)O)cc4)ccc32)cc1 38559881 AVLJAELXNLCNBA-MTMVAVESSA-N 424.540 6.553 0 1 HKAF Oc1ccc2cc1Oc1ccc(cc1)CCc1ccc(O)c(c1)Oc1cccc(c1)CC2 40866962 GIFLQWMLHZESNZ-UHFFFAOYSA-N 424.496 6.566 0 1 HKAF CCOP(=O)(OCC)[C@H](NC(=S)N[C@H](C)c1ccccc1)c1ccccc1 59130110 KSMZKXCHQBRXMD-APWZRJJASA-N 406.488 5.177 0 1 HKAF CC1=Nc2ccc(Cl)cc2[C@H](c2ccccc2)N1Cc1cccc(C(F)(F)F)c1 72123297 SELVWNQMRSZBJI-QFIPXVFZSA-N 414.858 7.014 0 1 HKAF FC(F)(F)c1cc(Oc2cncc(NC3CCCCCC3)n2)cc(C(F)(F)F)c1 82068578 ZHRFUTBNCDKUAD-UHFFFAOYSA-N 419.369 6.441 0 1 HKAF Cc1cnc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccc(-c3ccccc3)cc2)o1 82176365 CYJMTRORYIIMNU-KOSHJBKYSA-N 424.548 6.765 0 1 HKAF Cc1ccc(C2=C[C@H](c3c(-c4ccccc4)[nH]c4ccccc34)c3c(N)n[nH]c3O2)cc1 95604199 OVLVPYZEINPMBJ-HXUWFJFHSA-N 418.500 6.014 0 1 HKAF CC1=C(O)/C(=C/[C@H](C)CCC/C(C)=C/CCc2coc(Cc3ccoc3)c2)OC1=O 101637458 GOKZWKYAKOVREM-MAKIOEOWSA-N 410.510 6.421 0 1 HKAF Nc1ncnc2nc(-c3ccccc3)cc(-c3c(-c4ccccc4)[nH]c4ccccc34)c12 103199341 GMFOVLVKWYAHIZ-UHFFFAOYSA-N 413.484 6.089 0 1 HKAF CC(C)Cc1ccc([C@H](C)C(=O)N2CCC[C@@H]2C(=O)OCCCc2ccccc2)cc1 103284216 ROMCHEBCESHYSR-SQJMNOBHSA-N 421.581 5.156 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)ccc([C@H]2COc3cc(O)cc(O)c3C2=O)c1O 142980207 APRUHIYSPZMKAG-ZSTKBLHXSA-N 424.493 5.103 0 1 HKAF CC1=NC(C)=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)[C@@H]1C(=O)Nc1ccccc1 169724992 KFDFDPABWDTBAV-GGAORHGYSA-N 413.477 5.005 0 1 HKAF Cc1nc2c(n1-c1ccccc1)CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2 218383114 KFBWMJNORNOXIV-UHFFFAOYSA-N 419.834 5.051 0 1 HKAF CO[C@@H]1C[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)C(CC[C@H](C)CCOC(C)=O)=C1C 238774933 BCFDTJJKHXPVKR-UCOKCDEPSA-N 422.606 5.465 0 1 HKAF CC(=O)OC[C@H]1[C@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccccc2)cc1)C3 253851787 KUMJBZOBGCDDHP-QDQZMVNLSA-N 401.550 5.421 0 1 HKAF CC(=O)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C 255205325 DCBAVUVLEYSTPU-IOKRMPHPSA-N 412.702 8.067 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CCCC4(C)C)[C@H]3C(=O)C[C@]12C 255236241 MQKIXGKQVTWMES-PNUQCSQKSA-N 410.686 8.153 0 1 HKAF Oc1nc2ccc(N3CCC[C@H]4CCCC[C@H]43)nc2nc1CSCc1ccccc1 299881995 OZTURMJRNSOMKT-WIYYLYMNSA-N 420.582 5.323 0 1 HKAF Cc1ccc2ccccc2c1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 586884131 PYZYUKBQESMNFI-UHFFFAOYSA-N 423.354 6.879 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccccc3CCC(F)(F)F)nc3ccc(O)c1c23 586985985 IZZXAAIGWRYDEN-UHFFFAOYSA-N 419.402 6.314 0 1 HKAF Brc1c(OCc2nc3ccc4ncccc4c3[nH]2)ccc2ccccc12 587002141 ULWRKHUKAAFYNY-UHFFFAOYSA-N 404.267 5.606 0 1 HKAF Cc1nc(Br)sc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587015180 ZSKBOEFWFWBZMA-UHFFFAOYSA-N 402.342 5.909 0 1 HKAF c1ccc(COc2ccc3nc([C@@H]4CS[C@@H](Cc5ccccc5)N4)[nH]c3c2)cc1 587041288 MNBAXNMOSGCUFV-GOTSBHOMSA-N 401.535 5.088 0 1 HKAF FC(F)(F)c1nc(Cl)[nH]c2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc1-2 587047991 DNQNRFNZXBPTIT-WDSKDSINSA-N 407.610 5.555 0 1 HKAF Cc1cc(Cl)cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587070645 XSPZIXFQAKTNDY-XMHGGMMESA-N 407.344 7.352 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(C)c(C)cc4[nH]3)c(Cl)cc12 587078664 YSWGVVZKRPTQFG-CQSZACIVSA-N 410.901 6.032 0 1 HKAF Cc1cc(F)c2[nH]c(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)nc2c1 587088492 XXPIVDITGLGTKQ-FPLPWBNLSA-N 415.299 6.041 0 1 HKAF Cc1cc(Br)cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 587113760 ZKPKPRPOOXVBJN-UHFFFAOYSA-N 406.205 5.868 0 1 HKAF Fc1ccc(/C=C/c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(F)c1 587147652 AJKFZZISEIJOFP-DUXPYHPUSA-N 419.147 5.673 0 1 HKAF COc1cccc(-c2cc(-c3cc(C)c4c(c3O)CCC4)nc3c2oc2ccccc23)c1 587365406 GUAFMRZOISUZBZ-UHFFFAOYSA-N 421.496 6.826 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(C)(C)C)cc(Br)c1F)O2 587381371 IGJGOICJGVAGOW-KRWDZBQOSA-N 406.295 5.483 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)([C@H](C)Oc1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O 587441341 SHUMQTBZERHXNG-YZKRRQQXSA-N 400.474 5.336 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC3CCCC3)c(OCC)c1)CC2=O 587477714 IKPKJEMEESTZPZ-HSZRJFAPSA-N 410.510 5.771 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](OCC)c1ccccc1)CC2=O 587478564 KBLNVEFJODDBBL-KAYWLYCHSA-N 416.517 5.983 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCN3CCC[C@H](C)C3)cc1)CC2=O 587481078 XTEBFJXWYHYWTI-AVRWGWEMSA-N 423.553 5.162 0 1 HKAF O=C1C[C@H](c2ccc(-c3ccccc3C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587505706 IFZDQDOTCPYRNA-XMMPIXPASA-N 422.446 6.958 0 1 HKAF Cc1ccc(O)c([C@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587506822 PKQNFKDAPWLRCP-AREMUKBSSA-N 418.920 6.142 0 1 HKAF O=C1C[C@@H](CCc2cc(F)ccc2Br)Oc2c1ccc1c2CCCC1 587508097 YOZONVQDLAHBMW-MRXNPFEDSA-N 403.291 5.434 0 1 HKAF O=C1C[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)Oc2c1ccc1c2CCCC1 587510476 ZBJDUMUGFMEBNB-JOCHJYFZSA-N 413.300 6.839 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCNc1ccc(Cl)cc12 587551642 HZJUCXMGDWRVEP-NZQKXSOJSA-N 407.853 5.108 0 1 HKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C1CCCCC1 587579300 UIVXMIIFRCPCPV-ZEQKJWHPSA-N 417.505 6.019 0 1 HKAF CCCCOc1c(OC)cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599758 ZUEKOVCNFGZEMO-SQJMNOBHSA-N 420.461 5.283 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1ccc(O)cc1 587608991 NQPVJPNSNZKLFJ-BVAGGSTKSA-N 410.425 5.468 0 1 HKAF CCCCCCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587613121 NTMHMSIAYMAVRG-URXFXBBRSA-N 408.519 6.279 0 1 HKAF Fc1ccc(-c2c(-c3ccccc3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1F 587622987 VXMIASSRCJKSDT-UHFFFAOYSA-N 424.248 6.419 0 1 HKAF CCOC(=O)c1c(-c2cc(F)c(Cl)nc2Cl)[nH]c2ccc([C@H](C)CC)cc12 587640451 DLMWSDHAHSQSHF-SNVBAGLBSA-N 409.288 6.366 0 1 HKAF Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1Cl 587696873 UQJZYELIFBHLBI-VVVCHXIZSA-N 403.122 5.827 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)c(F)cc2Cl)N1 587718748 ODDJYYQJQIBMAX-QPFGOUBPSA-N 404.657 5.318 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CSC(F)F)o2)N1 587719891 RPLPCBANERRKNV-ANRSDYALSA-N 406.267 5.261 0 1 HKAF Cc1cc(C)cc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587758446 XOBLSWULFMILDO-QRQCRPRQSA-N 413.334 5.619 0 1 HKAF Fc1cc(C(F)(F)F)c2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2c1 587783519 BSTCLNCDOIILRT-FLIBITNWSA-N 412.386 6.470 0 1 HKAF CCCCCOc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587795136 QSXXBNCXTISSPR-QRQCRPRQSA-N 420.366 5.955 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)[C@@]1(CCC3)N[C@@H](C)Cc2cc(Br)c(F)cc21 587805196 SILVAHWVDKRRMB-XMHCIUCPSA-N 413.334 5.492 0 1 HKAF Cc1c(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c(C)c1C=O 587818233 GZTZCMMLBNVXHO-CWKPULSASA-N 404.323 5.258 0 1 HKAF COc1cccc(C(=O)c2ccc(-c3nc4c(OC(F)(F)F)cccc4[nH]3)cc2)c1 587932167 OYRDGTMPBLEVMA-UHFFFAOYSA-N 412.367 5.368 0 1 HKAF COc1ccc([C@@H](c2ccccc2)c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 587936428 LDRLGQYNCFBKNJ-AREMUKBSSA-N 420.512 6.331 0 1 HKAF CCCNc1cc(OCC)c(Br)cc1-n1c(O)ccc1OC(C)(C)C 587936708 MIEZRBAJLOGJJJ-UHFFFAOYSA-N 411.340 5.343 0 1 HKAF CCC[C@@]1(c2sccc2C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962642031 NIWNBAUGUXIJLD-OZXSUGGESA-N 402.607 5.847 0 1 HKAF Cc1cccc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)c1OC(F)F 962645178 SGSIQMRHLZVKAP-QPPBQGQZSA-N 420.503 5.433 0 1 HKAF Cc1cccc2c([C@H]3NCCc4cccc(-c5ccccc5)c43)c(-c3ccccc3)[nH]c12 962667706 MOCLNHKQEOXENM-PMERELPUSA-N 414.552 7.045 0 1 HKAF Cc1ccc(CC[C@]2(c3cc(F)c(F)c(F)c3)NCCc3c(C)ccnc32)cc1C 963072841 OPMSNUIYGYOORL-RUZDIDTESA-N 410.483 5.446 0 1 HKAF CCCCc1ccc([C@]2(c3ccnc(C)c3)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963100910 IZNSZNOFCNOOGJ-LSYYVWMOSA-N 414.568 6.184 0 1 HKAF COC(=O)c1ccccc1-c1ccc([C@H]2NCCc3c(Cl)cc(Cl)cc32)o1 963112891 SUWYCYKYHNNOJR-FQEVSTJZSA-N 402.277 5.275 0 1 HKAF COc1ccc2[nH]c(Cl)c([C@@]3(C)c4cccc(Br)c4CCN3C)c2c1 963279648 IEWADZGZJUEJEX-HXUWFJFHSA-N 419.750 5.344 0 1 HKAF CCc1ccc([C@@]2(c3ccc(OC(C)=O)cc3)NCCc3cccc(Cl)c32)cc1 963391095 PSQGVCMGIFPKIM-VWLOTQADSA-N 405.925 5.265 0 1 HKAF CC(C)[C@H](NC(=O)OCc1ccccc1)[P@@](=O)(Oc1ccccc1)c1ccccc1 1911576241 FFVKAAHBWCXWEV-DJUQAAIZSA-N 423.449 5.578 0 1 HKAF O=C(O)C=C[C@@H]1[C@H]2C=C[C@H]3[C@H]1C[C@@H]1[C@H](CCCCCc4ccc5c(c4)OCO5)[C@@H]2[C@H]31 2356346080 JEVKBOABRNPNLG-HKWXECLLSA-N 406.522 5.089 0 1 HKAF C[C@H]1CN=C([C@@H](C)[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)CC1=O 2356574593 FWDBSMPALVRXCP-PXANOCAPSA-N 413.646 5.692 0 1 HKAF OC(c1ccccc1Br)(c1ccccc1Br)C(F)(F)F 1613913 HWMBAASWBZYUOS-UHFFFAOYSA-N 410.027 5.010 0 1 HKAF C[C@@H]1CCc2cc3c(cc2N1C(=O)c1ccccc1)CC[C@@H](C)N3C(=O)c1ccccc1 3844771 VQFBLKMLTRLLEV-WOJBJXKFSA-N 424.544 5.650 0 1 HKAF biogenic CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCc1ccccc1OC 4295285 HJKBFKVXMJJIMN-ZEQRLZLVSA-N 424.541 5.034 0 1 HKAF C[C@H](CO)CC[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 6020649 YDFJGPFMKWECQA-BXTYSGRPSA-N 418.662 5.332 0 1 HKAF c1ccc(-c2nc(NCC(c3ccccc3)c3ccccc3)c3ccccc3n2)cc1 13445643 YTQAYZOZKKCSRC-UHFFFAOYSA-N 401.513 6.541 0 1 HKAF COc1ccsc1C(=O)Nc1ccc(C)cc1C(=O)Nc1ccc(Cl)cc1 13487511 PDMDFSVXZWXYPY-UHFFFAOYSA-N 400.887 5.223 0 1 HKAF CCN(CC)c1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1 13794441 HMCMZJAZQADXMS-UHFFFAOYSA-N 405.384 5.675 0 1 HKAF c1ccc(C(c2ccccc2)[C@H]2CC[C@@H](NCc3csc4ccccc34)CN2)cc1 22930175 MQKQGCHAZOYIHF-ILBGXUMGSA-N 412.602 5.944 0 1 HKAF CCCCC/C=C\CCCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 26578258 NECPSGDGVBOQGV-FPLPWBNLSA-N 417.634 7.055 0 1 HKAF Cc1cc(Br)c2c(c1)[C@H]1CCN[C@H](Cc3cccc4ccccc34)[C@H]1N2 26669086 SXUYSGJPFRBFEI-AAIMPIBUSA-N 407.355 5.393 0 1 HKAF O=C(Nc1ccc(F)c(C(F)(F)F)c1)Nc1nc(-c2ccc(F)c(F)c2)cs1 27519137 BALCYLWODAUXBR-UHFFFAOYSA-N 417.334 5.890 0 1 HKAF CCCCNC[C@@H](O)c1cc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)c1 28222032 IUEQQWAMHXBKSM-XMMPIXPASA-N 414.376 6.751 0 1 HKAF CC(C)c1cc(-c2cccc(C[C@@H](c3ccncc3)C(C)(C)O)c2)c2ncccc2c1 28529809 AGNPWVFAZVESPJ-SANMLTNESA-N 410.561 6.517 0 1 HKAF C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/CC(C)(C)O)C[C@@H](O)C[C@@H]1O 33820649 PVMSHKLGXLTEAP-VPJXIOEYSA-N 414.630 5.481 0 1 HKAF C[C@H](NC(=O)C(C)(C)Oc1cccnc1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 35079396 ABWAPQAPTFRUHD-FDDCHVKYSA-N 422.956 5.424 0 1 HKAF CC(C)[C@H]1CCN=C1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](N)CC=C4C[C@H]3CC[C@@]21C 39064585 YMBGPMICMYPNNV-YCPOGVOPSA-N 422.701 6.956 0 1 HKAF Cn1c(-c2ccc(Cc3ccccc3)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1 40429253 UJHFTEDLBITHDN-UHFFFAOYSA-N 413.952 6.196 0 1 HKAF Cc1cc(Br)c2c(c1)[C@@H]1CCN[C@H](Cc3cccc4ccccc34)[C@@H]1N2 40701138 SXUYSGJPFRBFEI-QTGUNEKASA-N 407.355 5.393 0 1 HKAF O=C1NC(=O)c2c1c(-c1ccc(-c3ccccc3)cc1)cc1[nH]c3ccc(O)cc3c21 40940023 XEYPTDVUZPGTAF-UHFFFAOYSA-N 404.425 5.244 0 1 HKAF CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC1CCN(Cc3ccc(F)c(C(F)(F)F)c3)CC1)C2 40975153 DXFBFHFUPCDIJH-CNDZOEFASA-N 412.515 5.613 0 1 HKAF O=C(n1c(-c2cc3ccccc3n2C(=O)C(F)(F)F)cc2ccccc21)C(F)(F)F 45168834 AJFKMHUYJQGUQE-UHFFFAOYSA-N 424.300 5.668 0 1 HKAF COCCNCc1cccc(-c2ccc3nccc(Nc4cc(O)ccc4C)c3c2)c1 45229491 ZMGCCQAYRPBQJU-UHFFFAOYSA-N 413.521 5.395 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 45245465 LDBKBEVWUZOTME-AMKJHPCNSA-N 401.635 5.572 0 1 HKAF COc1cccc2c([C@@H](C)CN3CC=C(c4c[nH]c5cc(F)ccc45)CC3)coc12 45357843 RJJULGLATNVXBG-INIZCTEOSA-N 404.485 5.955 0 1 HKAF CCCCCCNC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 45375077 JWGHJIKJZGXRNQ-OAHLLOKOSA-N 408.386 5.476 0 1 HKAF CC(=O)SCC[C@@H](CCCCC(=O)Nc1ccc(Cl)cc1)SC(C)=O 49784208 VFLHKHWQIVHHKK-QGZVFWFLSA-N 401.981 5.157 0 1 HKAF O=C1[C@H](Cc2ccccc2)N=C(c2ccccc2)c2ccccc2N1Cc1ccccc1 66074121 IUTLMDNQFCPFLT-SANMLTNESA-N 416.524 5.682 0 1 HKAF CCn1c2ccc(C(=O)c3ccc(Br)cc3)cc2c2c[n+](CC)ccc21 71294567 QBRSACWVSZGQIE-UHFFFAOYSA-N 408.319 5.115 0 1 HKAF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NCC3CCCCC3)nc2-c2ccccc2F)C1 82152012 ZNUJATPOFKKAFW-QZTJIDSGSA-N 424.564 5.393 0 1 HKAF Cc1ccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3)n2)cc1 82163380 ORDJSCRMZLTIHD-UHFFFAOYSA-N 422.557 6.383 0 1 HKAF CC[C@@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181114 HHYRPMMZIWHVLW-OAHLLOKOSA-N 421.932 5.511 0 1 HKAF COc1c2c(cc3c1CCC(C)(C)O3)OC[C@H](c1ccc(O)c(CC=C(C)C)c1O)C2 85956002 JRVDUBFSQWHYRJ-MRXNPFEDSA-N 424.537 5.437 0 1 HKAF endogenous,in-man CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C(=O)O)=C[C@@H]21 87722501 SMDPUJSGXVIWSO-RTBURBONSA-N 400.559 6.316 0 1 HKAF C[C@@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)c3ccccc3Cl)c2c1 95557331 HOODCJJTHOPMRQ-GFCCVEGCSA-N 412.272 5.978 0 1 HKAF O=C(Nc1ccc(F)c(-c2nc3cc(-c4ccsc4)cnc3[nH]2)c1)N1CCCC1 103271538 MNAJBFVYYGSFQF-UHFFFAOYSA-N 407.474 5.120 0 1 HKAF COc1ccccc1[C@H]1Nc2ccccc2N=C2C[C@H](c3cccs3)CC(O)=C21 104028276 LJPHCNPWBIXXSO-IZHWHUGBSA-N 402.519 6.386 0 1 HKAF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](F)CC[C@]4(C)[C@H]3CC[C@@]21C 118921448 LVZGYODASYIGPR-NDPNZEMMSA-N 406.582 5.752 0 1 HKAF c1ccc(CN2[C@@H](c3ccccc3)C3=C(NO[C@H]3c3ccco3)[C@@H]3CCCC[C@H]32)cc1 169356710 DGPSOURKQBTBED-SZUBIPLGSA-N 412.533 5.926 0 1 HKAF CCC1=C[C@@H](C)[C@@H]2C(C)=C[C@@](/C=C(C)/C=C/c3ccccc3)(CC)[C@](C)(C(=O)O)[C@@H]12 238733769 VCBYDJOKOOTWFM-VDGLVJCLSA-N 404.594 7.312 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@@H](C)CC(=O)[C@](C)(CCC(=O)O)[C@@H]3CC[C@]12C 253669622 GOSURFASCRNOMA-YOKLLTHWSA-N 418.662 6.988 0 1 HKAF O=C1C[C@@H](Sc2ccc(F)cc2)N1C(=O)NCC(c1ccccc1)c1ccccc1 299864617 MQQRXQGFDWJYKH-HSZRJFAPSA-N 420.509 5.018 0 1 HKAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 473087917 MILMUQAPEJSUCG-DSDULHSRSA-N 405.626 6.149 0 1 HKAF Cc1ncc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c(C)c1Br 586979169 RRHQYBFQGVMWGK-UHFFFAOYSA-N 415.516 5.420 0 1 HKAF Fc1cc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2cc1Cl 586986060 VDBMLARYHOPWLI-KRWDZBQOSA-N 408.702 5.303 0 1 HKAF CCOC(=O)CCc1c(C(F)(F)F)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586994026 UVQOPLWTQPOQAF-UHFFFAOYSA-N 413.395 5.269 0 1 HKAF Cc1cc2c(Br)ccc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c2o1 587002501 APYWMFVSINVWGY-UHFFFAOYSA-N 413.168 6.205 0 1 HKAF Clc1cc(Br)c2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 587052141 WZJYREMEJBVOIC-RKDXNWHRSA-N 416.533 6.557 0 1 HKAF Clc1ccccc1OCc1ccc(-c2nc3c(Br)cncc3[nH]2)cc1 587063389 MCTARPBFMAKEDF-UHFFFAOYSA-N 414.690 5.620 0 1 HKAF Cc1nc2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2cc1Br 587065116 UCIXHJBGICXTOA-UHFFFAOYSA-N 418.678 5.521 0 1 HKAF CNc1cc(Cl)ccc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587067406 YPKNJKLTWLAAAJ-UHFFFAOYSA-N 404.617 5.706 0 1 HKAF Cc1c(Br)cc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2c1C 587067827 ABDCTSORJQNUCL-SNVBAGLBSA-N 405.723 5.972 0 1 HKAF CN(C)CCOc1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1 587093744 SERWOIBOYMAAJI-UHFFFAOYSA-N 417.353 5.208 0 1 HKAF FC(F)(F)Sc1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1 587113215 UDLHWFOAFIHMKE-UHFFFAOYSA-N 413.346 6.409 0 1 HKAF Cc1cc(-c2nc3cc(C(C)(C)C)ccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587143907 CJKJKOYDOJHRHA-UHFFFAOYSA-N 402.469 6.340 0 1 HKAF Cc1ccnc2[nH]c([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 587199951 RWKCWLLTSQCCPZ-INIZCTEOSA-N 412.493 5.208 0 1 HKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc3c(cc2[nH]1)OCCCO3 587247106 GXHADUBZHBJAOY-UHFFFAOYSA-N 401.466 5.139 0 1 HKAF Cc1ccccc1[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350693 FBYMAGISUVHHKT-RSXGOPAZSA-N 404.481 6.140 0 1 HKAF CC1(C)CCc2ccccc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351494 KBISYYYXSQENFV-IGKIAQTJSA-N 416.492 6.148 0 1 HKAF C[C@@H]1C[C@H](c2ccccc2)C[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355795 WDIQWLJVZXYGJT-XKEJGBKOSA-N 416.492 6.233 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@](O)(c2ccccc2)C3)c1 587365764 JPATVKCINLGYDX-NDEPHWFRSA-N 421.496 6.033 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4C(F)(F)F)cc1)[C@@H](C2)C3=O 587420802 MALJIYJHKRGHMV-FDDCHVKYSA-N 410.391 5.870 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1c1ccc(Cl)c(Cl)c1)CC2=O 587463112 UEKLWYAVARPNPO-ZHRRBRCNSA-N 405.321 6.323 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3nc4ccccc4s3)o1)CC2=O 587493732 GKRARPNKWPDENE-HXUWFJFHSA-N 405.475 5.921 0 1 HKAF O=C1C[C@H](c2ccc(-n3cccn3)c(Br)c2)Oc2c1ccc1c2CCCC1 587502731 MUJDOONRJCVDTA-OAQYLSRUSA-N 423.310 5.220 0 1 HKAF O=C1C[C@H](c2cnn(-c3cccc(C(F)(F)F)c3)c2)Oc2c1ccc1c2CCCC1 587505521 HLKJMLKDASHQIF-OAQYLSRUSA-N 412.411 5.476 0 1 HKAF O=C1C[C@H](c2cccn2-c2cc(Cl)ccc2Cl)Oc2c1ccc1c2CCCC1 587506577 NJBPZGRAPGCXDD-JOCHJYFZSA-N 412.316 6.369 0 1 HKAF O=C1C[C@]2(CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)Oc2c1ccc1c2CCCC1 587518464 IRSRPWVRMVYACP-OREGWCPLSA-N 401.550 5.202 0 1 HKAF COC(=O)c1ccccc1-c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522092 DVNIZKNNQANSNB-VWLOTQADSA-N 412.485 5.726 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(C(F)(F)F)ccnc1Cl 587550317 UQVADXMRZDCZCH-MAUKXSAKSA-N 421.758 5.162 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(C(F)(F)F)c1Cl 587550630 VPLOGIKZNPYTFN-JXFKEZNVSA-N 420.770 5.767 0 1 HKAF Cc1ccc(-c2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1 587611345 IBXOWHGPKJPJKH-REWPJTCUSA-N 415.470 5.527 0 1 HKAF CC(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cc1ccc(Cl)cc1 587622048 VMWAIMSEYONWGT-UHFFFAOYSA-N 402.723 6.174 0 1 HKAF O=C(c1cc(-c2cccs2)nc2ccccc12)n1ncc2ccc(Cl)cc2c1=O 587653469 HYHIXVNJSCZIFN-UHFFFAOYSA-N 417.877 5.015 0 1 HKAF COc1c(Cl)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587696463 UKBZLBCZQJUYCR-VPTHRUTESA-N 419.121 5.527 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccccc2C(F)(F)F)N1 587710968 IEKCFOVVXLYFTN-VOJFVSQTSA-N 416.256 5.599 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](C)C(F)(F)F)N1 587712209 ZZVYAJGLQKIBOS-SEDUGSJDSA-N 416.256 5.564 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2OC(F)(F)F)N1 587718303 IHALZYLETDMIRB-ZKANADHPSA-N 422.191 5.250 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2Br)N1 587721753 QLBMDXJJWHARPT-ZKANADHPSA-N 417.091 5.113 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OC(F)(F)F)ccc2F)N1 587723837 YFEULUGCVCGUSE-ZKANADHPSA-N 422.191 5.250 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Br)c2F)N1 587725247 CPMHPPPPEFPETG-ZKANADHPSA-N 417.091 5.113 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2OCC2CC2)N1 587727882 PTZHSJVPRKJYPC-GIPWTMENSA-N 408.286 5.140 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 587820968 RQQCZBGRIAGHHV-WNSKOXEYSA-N 410.330 6.187 0 1 HKAF CC(C)[C@H]1CCc2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587822689 LZTZSTJEOWVLJB-SRVWHDFXSA-N 402.351 5.584 0 1 HKAF CC(C)c1ccc2c(c1)[C@@]1(CCCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587834879 NAZFLIMCCVARCS-RCDICMHDSA-N 418.350 5.662 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(-c3ccccc3)s2)N1 587854192 QJHUVHTZVUISEA-ADLMAVQZSA-N 403.320 5.335 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2C(c2cccs2)(c2cccs2)N1 587857069 ZORKGOKQEOBGGD-LLVKDONJSA-N 408.361 5.537 0 1 HKAF CCCCCCNC(=S)n1nc(-c2cc(Cl)ccc2Cl)cc1OCC 587860420 VQDFPCVCLCFSBZ-UHFFFAOYSA-N 400.375 5.559 0 1 HKAF CCN(c1ccc(-c2csc(-c3ccc(C(C)C)cc3)n2)cc1)S(C)(=O)=O 587922275 ALLNCRBWGIMZRE-UHFFFAOYSA-N 400.569 5.386 0 1 HKAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(Br)c(F)c3[nH]2)cc1 587936740 LVXRBHGORUYSKK-SFHVURJKSA-N 411.274 5.653 0 1 HKAF CCOc1ccc(OCC)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 587938457 XUZNSCJBZDHDDK-UHFFFAOYSA-N 413.517 6.521 0 1 HKAF CC[C@@H](C)NC(=O)c1cc([C@@]2(C3CC3)NCCc3cccc(-c4ccccc4)c32)c[nH]1 962662863 MMOABLWEMXTKPW-DNOBIOAJSA-N 413.565 5.009 0 1 HKAF Cn1cncc1[C@](O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)C1CC1 1772611281 PEXKKGMYAIJRBR-HSZRJFAPSA-N 424.331 5.588 0 1 HKAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]21CN=C(Nc2ccccc2)O1 1857637319 YAVLMVGFQLDKGP-YWBWYGPRSA-N 402.538 5.485 0 1 HKAF COC(=O)c1sc(-c2cccs2)cc1Nc1cc(OC)c(OC)c(OC)c1 1857653313 ACTCGPZEYLVPLP-UHFFFAOYSA-N 405.497 5.033 0 1 HKAF C[C@@H]1CC[C@H](O)CC1=CC=C1CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)C=C[C@@H](C)C(C)(C)O 2356459214 CJYKTRYRFPHSGB-KVEIFESTSA-N 414.674 6.836 0 1 HKAF COC1=CC(=O)O[C@H]([C@H](C)C[C@H](C)CC[C@H](O)CC(=CCl)Cc2ccccc2)C1 2356786757 BANUALHDPUSWKA-IOGOZDDNSA-N 420.977 5.391 0 1 HKAF CCc1c(-c2cccc(Br)c2)ncn1Cc1cccc(-c2ccccc2)c1 95564520 PDDXVPVIAAPTNX-UHFFFAOYSA-N 417.350 6.590 0 3 HKAF Cc1ccc2c(-c3ccnc(Nc4ccc(F)c(F)c4)n3)c(-c3ccccc3)nn2n1 13582730 OOFICCWOSHSLFS-UHFFFAOYSA-N 414.419 5.184 0 1 HKAF COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3ccccn3)c1)CC2 13806128 RHSKPMJDUUCLAL-UHFFFAOYSA-N 413.399 5.371 0 1 HKAF CCCN1C[C@H](C(=O)OC2CCCCC2)C[C@@H]2c3cccc4c3c(cn4C(C)C)C[C@@H]21 27519732 DMUHENPSSYBMDZ-XRODADMRSA-N 422.613 5.838 0 1 HKAF C[C@@H](Nc1ncc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1C)c1ccccc1 29331937 DBWKADOSCDJBEG-GFCCVEGCSA-N 413.365 6.298 0 1 HKAF CCCCCCC1=C(Br)/C(=C/Br)N(c2ccccc2)C1=O 35330448 CBPREDRGQYKJPG-QINSGFPZSA-N 413.153 5.889 0 1 HKAF Cc1ccc([C@@H]2c3[nH]c4ccc(C)cc4c3CCN2C(=O)CCc2ccccc2)cc1 35860302 XJMQAQZHSFRSSC-MUUNZHRXSA-N 408.545 5.892 0 1 HKAF C[S@@](=O)c1ccc(-c2nc(-c3ccc4ccccc4c3)c(-c3ccncc3)[nH]2)cc1 36351418 IJEKVOJHPYSPSL-PMERELPUSA-N 409.514 5.696 0 1 HKAF O=C(O)c1ccc(NCCCCCCCCCCCCCCCC(F)(F)F)cc1 39307817 VVBQUQRPMSQDMO-UHFFFAOYSA-N 415.540 7.820 0 1 HKAF CC(C)c1ccc(COc2ccc3c(c2)[C@@]2(C)CCC[C@](C)(C(=O)O)[C@@H]2CC3)cc1 40918466 CQVOXCYOUXGLPX-IEUSDUHPSA-N 406.566 6.484 0 1 HKAF COc1ccc(-c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1CNC(C)C 45168892 IYLLEFBFHMKRST-UHFFFAOYSA-N 408.929 5.766 0 1 HKAF O=C1NC(=O)[C@@H](Cc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2)S1 45390076 QPLQQIMYMYLKDV-CQSZACIVSA-N 401.793 5.045 0 1 HKAF O=C(Nc1cccc(C(F)(F)F)c1)c1c[nH]c2cccc(OCc3ccncc3)c12 66099230 NGTNPZMBTLIBTQ-UHFFFAOYSA-N 411.383 5.413 0 1 HKAF C[C@H](Cc1cc2cc(-c3ncccc3Cl)ccc2nc1N)C(=O)NCCC(C)(C)C 68246411 KJTIMMBPKQWGQS-OAHLLOKOSA-N 424.976 5.263 0 1 HKAF CCC(C(=O)N(Cc1ccccc1)Cc1ccccc1)(C(F)(F)F)C(F)(F)F 68573017 OVJPLYHYHMKDKU-UHFFFAOYSA-N 403.366 5.736 0 1 HKAF biogenic CCOc1ccccc1[C@@H]1N=NC(C2=C(O)c3ccccc3C2=O)=C[C@H]1c1ccccc1 68582472 GBDSGADKSAPGLT-OFVILXPXSA-N 422.484 6.426 0 1 HKAF biogenic Cc1cc(-c2cc(F)cc(Cl)c2)ncc1[C@@H]1CCCN1C(=O)c1cncs1 72176661 UBRMZMFBOXCPPA-SFHVURJKSA-N 401.894 5.283 0 1 HKAF O=C(O)C[C@H]1O[C@H](c2cccc(Cl)c2Cl)c2cc(Cl)ccc2-n2cccc21 84687296 KZNFCNOMKJYOAD-YLJYHZDGSA-N 422.695 6.073 0 1 HKAF CC1=C2C3=CC[C@@H]4[C@](C)(CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]3(C)CC[C@]2(C)CC[C@H]1C 85977726 LGVXVLHBYPSFGC-FVTMANFNSA-N 424.713 8.089 0 1 HKAF in-man Nc1sc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C(=O)N1CCCC1 103144922 QKAPBQQWDWLZFY-UHFFFAOYSA-N 417.361 6.207 0 1 HKAF CO/C=C(/C(=O)OC)c1ccccc1COc1ccc(C(F)(F)F)cc1Cl 166644078 MBHXIQDIVCJZTD-RVDMUPIBSA-N 400.780 5.098 0 1 HKAF in-vitro CCCCCCn1c(=O)c2c(c3cc(C(=O)N(CC)C4CC4)ccc31)CCCCC2 169329456 AELWTRBLWLKRJA-UHFFFAOYSA-N 408.586 5.475 0 1 HKAF Cc1ccc(C(=O)c2cccc([C@@H](C)CN3CCCC[C@H]3CC3CCCCC3)c2)cc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c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC 299880602 MNWFCGYYUOPBCQ-RKNIQEAPSA-N 416.606 5.347 0 1 HKAF O=C(Nc1cc(Cl)c(O)cc1O)C1(c2cccc(Oc3ccccc3)c2)CCC1 473123341 VILHUTJTBQKVFC-UHFFFAOYSA-N 409.869 5.604 0 1 HKAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 586915010 FJJFISNFFVBBHZ-UHFFFAOYSA-N 400.221 5.033 0 1 HKAF O=S(=O)(Cc1ccccc1-c1nc2ccc3c(c2[nH]1)CCCC3)c1ccccc1 586921183 FIJXYEWMMUNZCA-UHFFFAOYSA-N 402.519 5.083 0 1 HKAF COc1cc(/C=C\c2nc3cccc(Br)c3[nH]2)ccc1Br 586975358 AYGYOUZCLSQMGQ-VURMDHGXSA-N 408.093 5.267 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ncc(F)cc3Br)nc3ccc(O)c1c23 586988238 HIZJESSTQYIRMP-UHFFFAOYSA-N 421.225 5.115 0 1 HKAF Fc1cnc(Cl)c2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc12 586998916 SDHWNKTWTLAMKQ-SOFGYWHQSA-N 418.653 5.943 0 1 HKAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)s1 587013955 DQEQJRCSIFMSJX-MRVPVSSYSA-N 405.829 5.644 0 1 HKAF CC(C)(C)c1cccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 587015337 MNVVZOWXNYIXGE-UHFFFAOYSA-N 402.350 6.958 0 1 HKAF Cc1ccc2c(ccc3[nH]c(-c4noc(C)c4COc4ccccc4Cl)nc32)n1 587063207 IERKQLIGLZLGJM-UHFFFAOYSA-N 404.857 5.615 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587075568 ILQRARMZGHKJJG-UHFFFAOYSA-N 414.896 5.956 0 1 HKAF Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cnn1-c1ccc(Cl)cn1 587104869 XZWMXRMDIGKFLS-UHFFFAOYSA-N 422.875 5.656 0 1 HKAF O=C(c1nc2c(Cl)cc(Br)cc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133381 PNIKVZJWGPNPAO-UHFFFAOYSA-N 422.468 5.656 0 1 HKAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(OC)c(C)cc3[nH]2)c1 587146998 FBABSVBMKYKPHJ-UHFFFAOYSA-N 406.413 5.060 0 1 HKAF Fc1nc(Cl)ccc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587177188 BSGXGASPABPTTF-UHFFFAOYSA-N 410.552 5.079 0 1 HKAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 587197019 GPMXSZLLLIRMBO-JTQLQIEISA-N 423.152 5.306 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(OC(F)(F)F)cc3)cc1)O2 587384268 ZFQVMUBKWJCZOO-OAQYLSRUSA-N 413.395 5.849 0 1 HKAF CCCc1c(O)ccc2c1O[C@](Cc1ccc(F)cc1)(c1ccccc1Cl)CC2=O 587468409 UYCKGIXDDOVGHQ-VWLOTQADSA-N 424.899 6.241 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(CCC(F)(F)F)c1 587550898 WDUZDFGGKINPEC-UGKGYDQZSA-N 414.379 5.590 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3cccs3)c(-c3nc4ccccc4n3C(F)F)c2c1 587643702 VZKPQKJRUWAQKH-AWEZNQCLSA-N 421.516 7.822 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(Cl)cc2)N1 587693938 FRFNZKAZSAONHE-YUNKPMOVSA-N 419.725 5.656 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)cc(Cl)c2)N1 587696765 FDILXIRMGZLKEO-XLFHBGCDSA-N 403.122 5.693 0 1 HKAF Cc1ccc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc2c1 587708483 XZWHKQPREVFQIB-WYRIXSBYSA-N 419.725 5.722 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)cc2C(F)(F)F)N1 587713322 SNLPPKKROBMHTQ-XLFHBGCDSA-N 420.219 5.544 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cccc2OC(F)F)N1 587717075 KKPLPLMNGLWGHO-ZKANADHPSA-N 420.656 5.467 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(F)c3)s2)N1 587728126 CVLCBPSUCUMHMH-BIBXISHDSA-N 420.322 6.079 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3F)o2)N1 587728924 UHANVGFOEIOREJ-PRWKNARSSA-N 404.254 5.611 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)c3ccccc23)N1 587730502 JBBQOBIJTLPNSO-QKVFXAPYSA-N 402.282 5.678 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3cccc(F)c3)n2)N1 587733896 SSLVYRRKCNIXRS-XTZNXHDOSA-N 421.310 5.474 0 1 HKAF CC(C)Cn1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 587755991 IYFVNJILTLHHMP-RNODOKPDSA-N 416.338 5.218 0 1 HKAF CCOc1nc2ccccc2cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587776437 CPDZJCVXDWWAIS-MPBGBICISA-N 415.306 5.159 0 1 HKAF CCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CC 587795729 RJKVUUDHFUJLQG-ASSNKEHSSA-N 406.339 5.563 0 1 HKAF CCc1ccc(CC(C)(C)[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587818246 HALWPWSUOOMYMS-SPLOXXLWSA-N 404.367 5.995 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(Cl)cccc3s2)N1 587859603 XOOHJMPCIZFTDB-DYBLOJMWSA-N 410.739 6.080 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1c(Cl)cc(F)cc1Cl 587865295 SPDINVQKBCVEBR-UHFFFAOYSA-N 419.205 6.403 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2)cc1 587936648 XLMACHRMUUHWAD-UHFFFAOYSA-N 419.353 5.955 0 1 HKAF COc1ccc2c(c1)C[C@H](c1nc3ccc(-c4nc5ccccc5s4)cc3[nH]1)CC2 587946925 NIBJQHPSZKAMSZ-MRXNPFEDSA-N 411.530 6.121 0 1 HKAF CC(C)Cc1ccc([C@@H](C)c2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1 653708467 KZRIKGJBSYHYIQ-OAHLLOKOSA-N 410.974 5.640 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@]2(c1ccc(C2OCCO2)cc1)C1CCCCC1 963113611 UYJOIJPNKYBITK-SHQCIBLASA-N 421.556 5.716 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1c[nH]c2cc(OCc3ccccc3)ccc12 963241744 NWPUBCSRPCMXCO-WTYVLRPYSA-N 410.561 6.493 0 1 HKAF COc1cc(/C=C/C(=O)Nc2ccccc2)ccc1OCCCCCCCCN(C)C 1772646967 LVAPRXNJGUAWBC-FBMGVBCBSA-N 424.585 5.628 0 1 HKAF Nc1ccccc1Oc1ccc(-c2ccnc(Nc3ccc4ncsc4c3)n2)cc1 1772650184 XFRFNLYZSSZEBH-UHFFFAOYSA-N 411.490 5.871 0 1 HKAF Cc1nc2c(c(Oc3ccc(Oc4nc(C)nc5c4CCCC5)cc3)n1)CCCC2 1857555105 VOFZLKKDQXLWHI-UHFFFAOYSA-N 402.498 5.226 0 1 HKAF CCN(CC)CCNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 1857600277 SYNBYCVJGMJAGH-UHFFFAOYSA-N 423.560 5.640 0 1 HKAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccnc(NCC4CC4)c3)cc2)c1 1857601924 SCOXTVBTPMVBKV-QGZVFWFLSA-N 401.510 5.070 0 1 HKAF CC1=C[C@H](CNC(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2n1C 2356286661 KTIPFZAETACNQN-ZRBLBEILSA-N 415.581 5.400 0 1 HKAF C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@@]23Oc2ccc(OC(=S)N(C)C)cc2C[C@]13C 2356335832 DRTPUUQCYHYPIT-FWDYTFEUSA-N 401.616 5.848 0 1 HKAF CCCCCC=CCCC(=O)CCCCCCCCCCCCCCCC(=O)O 2356437188 KBDNHCBOCXMQNL-UHFFFAOYSA-N 408.667 8.408 0 1 HKAF CO[C@@H](C=CCCCCCCC=C(Br)Br)[C@@H]1CCCO1 2356552411 PEUQTGHGULKWLT-GJZGRUSLSA-N 410.190 5.708 0 1 HKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4[C@H](CC[C@H](O)C4(C)C)[C@H]3CC[C@]12C 2356562749 CIUWDTKQGZYEEE-JVQXAQNJSA-N 412.702 7.945 0 1 HKAF CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356618180 IISBZUQIQWKVMZ-GDYITNONSA-N 414.718 7.881 0 1 HKAF COc1ccccc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)Nc1c(F)cccc1F 4168906 WEVAWEZHVMXKKS-NRFANRHFSA-N 424.447 5.420 0 1 HKAF Cc1ccccc1-c1nc(CN2C(=O)CN=C(c3ccccc3)c3ccccc32)c(C)o1 6804661 JGUVDFNJFAVHAT-UHFFFAOYSA-N 421.500 5.343 0 1 HKAF COc1cc(O)c(-c2c(C)cc(OC)c3c(OC)cccc23)c2c1[C@H](C)N(C)[C@H](C)C2 14421109 DJKKAJMAHBJDCM-CVEARBPZSA-N 421.537 5.484 0 1 HKAF biogenic Clc1ccc2c(c1)S[C@H](CN1CCOCC1)[C@@H]2OCc1ccsc1Cl 27411934 YZRHMCICAOKGBY-IAGOWNOFSA-N 416.395 5.119 0 1 HKAF CCOP(=O)(CCCCCCCCOc1ccc(OC)cc1Cl)OCC 27750018 KQBCWWOQYIOBHS-UHFFFAOYSA-N 406.887 6.334 0 1 HKAF CCn1c2ccccc2c2cc(S(=O)(=O)Nc3ccc(OC)c(Cl)c3)ccc21 35064610 CLTCMAWZJHWOEY-UHFFFAOYSA-N 414.914 5.277 0 1 HKAF C[C@H](C1=NC[C@](C)(O)CC1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 39011218 YCTLKNVWQFQYLE-RRKPGTBZSA-N 413.646 5.548 0 1 HKAF CC(C)[C@@H](C)Nc1cc(-c2nc(SCCCO)[nH]c2-c2ccc(F)cc2)ccn1 40391385 PKGCSMGQINZWAE-OAHLLOKOSA-N 414.550 5.209 0 1 HKAF Clc1ccc(Nc2nc3ccccc3c3[nH]c(C4CCOCC4)nc23)cc1Cl 40424296 BPEMDGOYFQQBQZ-UHFFFAOYSA-N 413.308 6.056 0 1 HKAF O=C1O[C@H](O)C(c2cccc(-c3ccc(Oc4ccccc4)cc3)c2)=C1Br 40950417 PKQHZMFMGYLCJA-NRFANRHFSA-N 423.262 5.127 0 1 HKAF CC(C)[C@]1(c2cccs2)OCC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21 45498426 HRSBVEZDEVRRFG-QFIPXVFZSA-N 415.917 6.076 0 1 HKAF Cc1cccc(C)c1[C@H](Nc1ccc(Cl)cc1Cl)C(=O)CCc1ccncc1 52595158 WJRMFBQARDTXOP-HSZRJFAPSA-N 413.348 6.360 0 1 HKAF O=C(Nc1ccc(NC(=O)c2cc(F)c(F)c(F)c2)cc1)c1cc(F)c(F)c(F)c1 66259207 XADSEAAXQCZLBN-UHFFFAOYSA-N 424.300 5.026 0 1 HKAF O=C1c2cc(N3CCCCC3)ccc2N[C@H](Cc2ccccc2)N1c1cccc(O)c1 72113809 WKYJMWZOFLMOGO-VWLOTQADSA-N 413.521 5.024 0 1 HKAF CC[C@H](C)[C@H](Nc1nc(-c2ccc(C)cc2)cs1)C(=O)NCc1ccc(F)cc1 82195222 FUYQBKYVNPDFLP-KKSFZXQISA-N 411.546 5.401 0 1 HKAF COc1ccccc1CN1CC[C@H]2[C@@H](CO)Nc3ccc(C4=CCCCC4)cc3[C@H]21 95878702 CZIWFSLKGNKQEK-NZJKTDFXSA-N 404.554 5.002 0 1 HKAF CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccccc1OC 104697010 ZGELWFCUQFTGNS-DEOSSOPVSA-N 404.510 5.898 0 1 HKAF C[C@H](NC(=O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118922332 NOVUBZJSKIJHDS-SCIWQTMTSA-N 421.625 5.745 0 1 HKAF CC(C)(C)c1ccc(Nc2ncnc3cc(-c4ncccc4C(F)(F)F)ccc23)cc1 136547496 RXRYUCSWVNXEHU-UHFFFAOYSA-N 422.454 6.752 0 1 HKAF c1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@H]32)cc1 169291436 CJFITVUYKIGKBQ-GTNKKZTPSA-N 403.550 7.416 0 1 HKAF O=C(O)C[C@@H]1CCc2cc(-c3ccc(NC(=O)Nc4ccccc4)cc3)ccc2C1=O 205512976 UELZYSRWAREAOL-IBGZPJMESA-N 414.461 5.217 0 1 HKAF O=C(OC[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc2ccccc2c1)c1ccccc1 253693456 JTWKFTQCKFYFJH-QPUDUHLBSA-N 409.529 5.563 0 1 HKAF CC[C@H](/C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 255214616 HCXVJBMSMIARIN-QYJBFFHZSA-N 412.702 7.801 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CCC2=C3CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 257553842 UIPYFONRKZTOIY-HKXFQRACSA-N 400.691 7.779 0 1 HKAF endogenous,in-man NCCCNCCCN[C@H](CCC[C@@H]1C[C@H]2CC[C@H]1C2)CC[C@@H]1C[C@H]2CC[C@H]1C2 299846990 OZUNTJMPRIGUIC-HJGJLQRFSA-N 403.699 5.096 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 586878052 AOQFEWCWKYCTAK-UHFFFAOYSA-N 410.395 5.976 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2c(Cl)ncnc2[nH]1 586981057 FECSIWAAOQAGBR-UHFFFAOYSA-N 409.715 5.395 0 1 HKAF Cc1ccc2c(ccc3nc(-c4csc(Nc5cccc6ncccc56)n4)[nH]c32)n1 587017191 JFYLCVOMNPCQNX-UHFFFAOYSA-N 408.490 5.835 0 1 HKAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc4ccccc4cc3[nH]2)cc1 587039673 HOXPUWDMMMDFCB-OAQYLSRUSA-N 403.507 5.003 0 1 HKAF Brc1nccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 587041072 VJZWZRCCVXQAIQ-UHFFFAOYSA-N 423.339 5.566 0 1 HKAF COc1ccc2[nH]c3c(c2c1)CCc1c-3nc2c(C)ccc3c2c1-c1ccccc1C3=O 587096939 MEQJLHMBOGUWKV-UHFFFAOYSA-N 416.480 6.010 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1cnn(-c3ccccn3)c1CC4)-c1ccccc1C2=O 587097223 MLGMSVCSOSSNMY-UHFFFAOYSA-N 414.468 5.101 0 1 HKAF CC(C)(C)OC(=O)NC[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587103036 CTUJIKUAEQMGAT-OAHLLOKOSA-N 414.505 5.076 0 1 HKAF O=C(c1nc2c(Br)cc(Cl)cc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133377 PLTJUGICFQBSOD-UHFFFAOYSA-N 422.468 5.656 0 1 HKAF Fc1cc(Br)c2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc2c1 587135132 TVESGNZMELVTIK-OWOJBTEDSA-N 407.111 5.330 0 1 HKAF CC1=C(CC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(C)(C)CCC1 587348710 AQCBLVFGXJPFPG-RPLLCQBOSA-N 422.540 6.956 0 1 HKAF CC(C)Oc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587353393 YVPQEDHRHMYRPO-UKILVPOCSA-N 406.453 5.593 0 1 HKAF O=Cc1cccc([C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587354125 MZHLEEVCEFRRBB-ZCYQVOJMSA-N 402.421 5.008 0 1 HKAF CC[C@H](C)c1ccc([C@@]2(CC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587358427 XYUNWOISXKJXLC-VRKGNZAUSA-N 418.508 6.709 0 1 HKAF COc1cccc(-c2cc(CN3Cc4ccccc4C3=O)nc3c2oc2ccccc23)c1 587364338 UDLURASQCFQBMA-UHFFFAOYSA-N 420.468 5.813 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(Cl)ccc1N)(c1c(F)cccc1F)O2 587382692 TXXYJEVBJIUSSS-JOCHJYFZSA-N 414.839 5.000 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(-c4cccs4)s3)s1)O2 587411705 FVJPXRNLCBMXIL-INIZCTEOSA-N 423.584 6.802 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1cc(Cl)ccc1Cl)CC2=O 587459138 CCVHZDOWMWUMGD-OAQYLSRUSA-N 423.292 5.377 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(F)cc1Br)CC2=O 587465488 DNTGNVFMNXLQNP-HXUWFJFHSA-N 407.279 5.213 0 1 HKAF Nc1sc2c(c1[C@]1(c3ccncc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 587534608 CSLRLEDMYWMAQG-RUZDIDTESA-N 416.546 5.002 0 1 HKAF Cc1ccc(-c2nc3c(s2)[C@]2(CCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587536066 QSKTXBQNPSOPPM-SANMLTNESA-N 415.558 6.194 0 1 HKAF CCCC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545076 GOSDHTGYMRQWNF-QPPBQGQZSA-N 408.881 6.093 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1Cc1ccc(Cl)c(Cl)c1 587547931 VJUFWDZQBGNJCH-RTBURBONSA-N 401.245 5.272 0 1 HKAF Cc1cccc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)nc12 587550823 BSOYILPEAQRPMX-WMZHIEFXSA-N 417.848 5.605 0 1 HKAF CCCCn1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21 587576681 KDLJVWXNSFHBJF-ZJSXRUAMSA-N 414.461 5.245 0 1 HKAF CC1=C(CC[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(C)(C)CCC1 587601781 HJASWXKRERVXTH-NVQXNPDNSA-N 406.522 6.419 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cc2ccccc2)ccc1O 587607344 ICSCXZKRAWRHGV-SHQCIBLASA-N 424.452 5.392 0 1 HKAF C[C@@]1(c2ccc(-c3ccccc3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611800 JTBUHSFXCULVHA-DHLKQENFSA-N 414.482 5.998 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccccc3)c(-c3ccncc3)[nH]c2c1 587628290 RHELHDVTBYNDMM-UHFFFAOYSA-N 406.329 6.935 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccs3)c(-c3nc4ccccc4n3C(F)F)c2c1 587643714 VZKPQKJRUWAQKH-CQSZACIVSA-N 421.516 7.822 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cc(Cl)cc2Cl)N1 587695893 SLIYSNNAWVCNSF-QZTNRIJFSA-N 423.540 6.172 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1cc(F)ccc12 587737298 YZODESOLWPBYDR-IPQOISQHSA-N 412.277 5.534 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c2)cc1O 587787187 RDSUXQMEGLFFOY-UHFFFAOYSA-N 418.802 6.283 0 1 HKAF CCCCCc1ccc([C@@]2(CC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587810956 DZHYEXIKBRNICS-WAIKUNEKSA-N 418.394 6.509 0 1 HKAF CC(C)c1ccc(C[C@H](C)[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587821967 YZTCPPKOONHIQE-KIMHZCHSSA-N 404.367 6.166 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3cccc(C(=O)O)c23)N1 587825013 FLAQORHLEQKVAT-PRWKNARSSA-N 414.274 5.063 0 1 HKAF CC(C)Oc1ccc(OC(C)C)n1C[C@H](c1cccc(Br)c1)N(C)C 587939253 JJGVJSLCIYGUDP-GOSISDBHSA-N 409.368 5.128 0 1 HKAF Cc1ccc(NC(=O)c2cc(-n3cc4ccccc4n3)ccc2N2CCCCC2)cc1 653790525 ZHYKJMHQLVSRJP-UHFFFAOYSA-N 410.521 5.577 0 1 HKAF Oc1ccc(-c2ccc3ncc4nc(O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cc1 653852892 CLCIHWWSYUPZKC-UHFFFAOYSA-N 421.378 5.671 0 1 HKAF Cc1ccc(C(=O)C[C@@H](c2ccccc2Cl)[C@H]2C(=O)Oc3ccccc3C2=O)cc1 957591875 LTQMVETWLGHXGZ-WMZHIEFXSA-N 418.876 5.423 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3N[C@H](C(=O)O)Cc4c3cc(F)cc4C(F)(F)F)o2)cc1 962693711 GHONJBXPFHRDKW-FXAWDEMLSA-N 419.374 5.101 0 1 HKAF CC(C)(C)OC(=O)N1CC[C@]2(NCCc3c(Cl)cc(Cl)cc32)c2ccccc21 963105501 JZUVCARXRZCGNV-QFIPXVFZSA-N 419.352 5.528 0 1 HKAF CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)OC)NC(=O)[C@@H](N)CC(C)C 1772628810 BIKMFTMYIRGJNX-IFCFVRONSA-N 424.670 5.665 0 1 HKAF COc1ccc(Br)c(CC2CCN(CCc3cccc(Cl)c3)CC2)c1 1772654538 QROHUABRIDMBGI-UHFFFAOYSA-N 422.794 5.608 0 1 HKAF CC(=O)c1c(O)c2c(Cl)c(Cl)cc(Cl)c2[nH]c1=Nc1ccc(F)cc1F 1857598337 JLWMVYSREAWCMK-UHFFFAOYSA-N 417.626 5.547 0 1 HKAF O=C(O)[C@H]1CCCN(C/C=C/C(c2ccccc2)(c2ccccc2)c2ccccc2)C1 1857764621 BAUVLJWTHIJTEM-YRXHENJZSA-N 411.545 5.374 0 1 HKAF CC(C)=CCCC1=C[C@H](CC(C)=CCC[C@@]2(C)C=Cc3cc(O)cc(C)c3O2)OC1=O 2356440445 BNWXBVSPPVIYFO-IGKIAQTJSA-N 422.565 6.580 0 1 HKAF Cc1cnc([C@@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)c(O)c1 2356456812 RODDEOSIMRCKKR-IGAPURCGSA-N 409.614 6.139 0 1 HKAF CC1=C[C@H](CNC(C)C)[C@@H](C(C)C)C[C@H]1Cc1nnc(Cc2c[nH]c3ccccc23)o1 2356507252 RIBLYRBLWMJIFN-MIZPHKNDSA-N 420.601 5.537 0 1 HKAF CC(C)=CCC[C@@H](C)C1=CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356541196 QQEBZBZJWRBJTK-ZDHBOOLDSA-N 424.713 8.089 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CCC2=C3C=C[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356588855 JXWWITGIOCSBLV-GCMQNGBGSA-N 410.686 7.577 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C(=CCO)[C@H]([C@]3(C)CC[C@H](O)C[C@@H]3O)CC[C@]21C 2356639911 IQSTZRCIVTWSDM-RXGBDUERSA-N 420.678 5.722 0 1 HKAF C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 2356642983 BADUKLRFTFBRSD-DWIBVDALSA-N 415.662 5.760 0 1 HKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]1CC[C@@H]1[C@@H]2CC=C2C[C@H](O)C[C@@H](C)[C@@H]21)C(C)C 2356776539 XOUKWBZXHQYSCY-LOODXIENSA-N 400.691 7.491 0 1 HKAF CC(CCC(=O)CCCCC[C@H](O)CC1CCCCC1)=C(C)C[C@@H](O)C(C)(C)C 2356782323 DQEHNEXJPVNFBV-LOSJGSFVSA-N 408.667 6.751 0 1 HKAF O=C(OCc1ccccc1)N1CC[C@H]2C[C@H]1c1ccc(-c3ccc4c(c3)OCO4)cc12 103055313 MLXPLRFBNSISMA-REWPJTCUSA-N 413.473 5.653 0 3 HKAF CCN1c2ncc(CSc3ccccc3)cc2C(=O)N(C)c2ccc(Cl)nc21 841494 TYPYIAOCHCKFIA-UHFFFAOYSA-N 410.930 5.170 0 1 HKAF O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)nc(Cl)n1 13814670 RIMUCSQPQWEABJ-UHFFFAOYSA-N 404.097 5.073 0 1 HKAF COc1ccc(-c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)c2c(N)noc12 14975416 SWNPCLQLHUWVAZ-UHFFFAOYSA-N 406.417 5.177 0 1 HKAF COc1cc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)cc(OC)c1OC 28711018 SPQAKYAAAZCTMU-UHFFFAOYSA-N 411.498 5.304 0 1 HKAF C[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 28820611 IMGXWRKTVOMDLZ-SNVBAGLBSA-N 417.745 5.038 0 1 HKAF Cc1ccc2cc(-c3nc(-c4ccc([S@@](C)=O)cc4)[nH]c3-c3ccncc3)ccc2c1 28823973 MWPCXKSKKQISMH-HKBQPEDESA-N 423.541 6.005 0 1 HKAF CC(C)(C)c1ccc(CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 34384008 OANKVBWIIMIAIY-UHFFFAOYSA-N 413.605 6.132 0 1 HKAF COc1ccccc1NC(=S)N[C@H]1CC(C)(C)Oc2ccc(Br)cc21 40395034 YOBAVTGWSRCIHE-HNNXBMFYSA-N 421.360 5.047 0 1 HKAF O=C1CS[C@H](c2c(Cl)cccc2Cl)N1CCC12CC3CC(CC(C3)C1)C2 40873559 FWSASOUIFBWQBJ-CMLPIDDHSA-N 410.410 6.174 0 1 HKAF CC(=O)N(Cc1nc(-c2cc(Cl)c(Cl)s2)cs1)c1c(C)cccc1C 45188455 LEGBGQZEEKWOBB-UHFFFAOYSA-N 411.379 6.348 0 1 HKAF O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cc(C(F)(F)F)nc2ccccc12 64436506 SFISUHOOUADALI-UHFFFAOYSA-N 415.293 5.796 0 1 HKAF Fc1ccc(Cc2ccc3c(NCCCNCc4ccco4)ccnc3c2)c(Cl)c1 72122810 KSKOUFFNTCOCDW-UHFFFAOYSA-N 423.919 5.803 0 1 HKAF O=C(OCc1ccccc1-c1ccccc1)[C@H]1CCCN(CCCc2ccccc2)C1 73198746 MLDXCOMMNMHOQL-VWLOTQADSA-N 413.561 5.742 0 1 HKAF COc1ccc2c3c(c(=O)oc2c1)[C@H](C)[C@@](C)(CC/C=C(\C)CCc1cc(C)co1)O3 95910568 ARCTXLANJJGIEY-TVFOHBDBSA-N 422.521 6.317 0 1 HKAF biogenic,in-vitro O[C@@]1(c2cccc(Cl)c2Cl)C[C@@H]2CC[C@H](C1)N2Cc1csc2ccccc12 101185299 MTASNPVDMSIQLV-MFKICJERSA-N 418.389 6.223 0 1 HKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(OCc2ccccc2Br)nn1 103169633 QULSVMKLFGCNNH-UHFFFAOYSA-N 423.232 5.812 0 1 HKAF CO[C@@]1(c2ccc(Cl)cc2)C=CC(C2CCCCCC2)(C2CCCCCC2)OC1 103172726 SRAVJZVHXFHWLG-VWLOTQADSA-N 417.033 7.448 0 1 HKAF Clc1ccc([C@@H](Cn2ccnc2)OCc2cccc(Cl)c2Cl)c(Cl)c1 103186094 XTKZBMXOVFSCPT-QGZVFWFLSA-N 416.135 6.455 0 1 HKAF CCCCOC(=O)Nc1cc2nc(C3CCCCC3)[nH]c2cc1N(CCC)CCC 103256687 XTQGKXDYRVETHZ-UHFFFAOYSA-N 414.594 6.586 0 1 HKAF CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1 104697256 JWMZODNQPQHEEW-NRFANRHFSA-N 423.463 5.443 0 1 HKAF CCC(=O)N1CC[C@H]2CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 144127851 CFWYPUDTLBWVFB-IFSOPIRISA-N 406.614 5.966 0 1 HKAF COc1ccc2c(c1)c(CC(=O)OCC(C)C)c(C)n2C(=O)c1ccc(Cl)cc1 230562015 MBMGSPXVGDYMEF-UHFFFAOYSA-N 413.901 5.042 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC=C3[C@H]4CC[C@H]([C@H](C)CCC=C(C)C)[C@@]4(C)CC[C@H]32)C1 255275547 WFHCSLLFMHBWFL-HEJQXLARSA-N 424.669 7.800 0 1 HKAF COc1c(-c2ccc(OC)c3c(O)cc(C)cc23)c(O)cc2c1[C@@H](C)N(C)[C@@H](C)C2 257552905 UGEJDUMBFTVARC-LSDHHAIUSA-N 407.510 5.181 0 1 HKAF O=C(O)/C=C/c1ccc(OC(=O)CCc2ccccc2)c(OCc2cccc(F)c2)c1 299824555 LKFJCAHBVUVXJO-JLHYYAGUSA-N 420.436 5.041 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(Br)c(O)c3[nH]2)c1 586879064 OKGKKVRNMAFNTK-UHFFFAOYSA-N 421.294 5.546 0 1 HKAF OCc1ccccc1-c1cccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 586895196 UEPDFTRXHKGLFO-UHFFFAOYSA-N 418.802 5.941 0 1 HKAF CC(C)CCOc1ccc(Br)cc1-c1nc2cnc3ccccc3c2[nH]1 586980997 CTZJIECNCBTJIZ-UHFFFAOYSA-N 410.315 5.966 0 1 HKAF Nc1ccc(Br)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586985626 WTINYDOPFCOGJZ-UHFFFAOYSA-N 417.262 5.164 0 1 HKAF Brc1ccc([C@@H](c2nc3ccc4c(c3[nH]2)CCCC4)N2CCCC2)cc1 586986338 WKKZLYLTHXXGAI-NRFANRHFSA-N 410.359 5.389 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(F)cc(Br)c4)nc13)-c1ccccc1C2=O 586995516 LQKMBKZZPFIGCQ-UHFFFAOYSA-N 418.265 6.323 0 1 HKAF COC(=O)c1cccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 587015102 FOEYUXOQSKWESG-UHFFFAOYSA-N 404.278 5.447 0 1 HKAF Clc1cc(Cl)c2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2c1 587018741 NETAJJRTRRRSLX-UHFFFAOYSA-N 418.305 5.355 0 1 HKAF FC(F)(F)c1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 587039684 HRMYEZYNFLEGPK-UHFFFAOYSA-N 411.452 6.427 0 1 HKAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1OC 587051166 OXYSLQXTSAVSAN-UHFFFAOYSA-N 417.248 5.592 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 587076225 QWVISWLLDYIOTI-UHFFFAOYSA-N 423.648 5.418 0 1 HKAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)n1 587080615 RGEYQOLAWCZDMY-ZETCQYMHSA-N 421.648 5.832 0 1 HKAF COc1c(Br)cccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587102102 QGYXKQQMGFOQQR-UHFFFAOYSA-N 416.274 5.884 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(NC(=O)C(F)(F)F)cc3)nc3cccc1c23 587103964 NHFMWGYTRAZQTA-UHFFFAOYSA-N 418.374 5.614 0 1 HKAF CC(C)(C)OC(=O)N1CCCc2nc3cccc4c3c(c2CC1)-c1ccccc1C4=O 587105265 VUXTWPPBSCIRCY-UHFFFAOYSA-N 414.505 5.172 0 1 HKAF Fc1c(F)c(F)c(/C=C/c2nc3cc(Br)cc(F)c3[nH]2)c(F)c1F 587133784 CPTDIJMWJAKYPX-OWOJBTEDSA-N 407.111 5.330 0 1 HKAF Fc1ccc(/C=C(\c2nc3ccc(SC(F)(F)F)cc3[nH]2)c2cccs2)cc1 587164299 PPVKNLBMTDURJJ-GDNBJRDFSA-N 420.456 6.964 0 1 HKAF O=C(O)Cc1c(-c2ccc3ccccc3c2)nc2cccc3c2c1-c1ccccc1C3=O 587206477 LAQPDQISGFNZDX-UHFFFAOYSA-N 415.448 5.894 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc4ccccc4cc3NC(=O)C(C)C)nc2c1 587247119 HIYZXRAHEUIUAW-UHFFFAOYSA-N 421.884 5.418 0 1 HKAF COc1cccc(-c2cc(-c3cc(CN(C)C)cs3)nc3c2oc2ccccc23)c1 587364431 DVPQDVXBLMAQNK-UHFFFAOYSA-N 414.530 6.447 0 1 HKAF COC(=O)c1csc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1 587364764 HMERILSCIUKUPK-UHFFFAOYSA-N 415.470 6.172 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Cl)ccc1Br)CC2=O 587456291 MKQOWSZRXKYDER-LJQANCHMSA-N 409.707 5.641 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc(Cl)cc1Cl)CC2=O 587462948 TZZOQKLOVAYFDS-NRFANRHFSA-N 422.308 5.404 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(COc1ccc(-c3ccccc3)cc1)CC2=O 587484612 SWDKFDVGGANVHS-AREMUKBSSA-N 402.490 5.815 0 1 HKAF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587505875 WAXWQTDKWBQZII-OAQYLSRUSA-N 401.300 5.217 0 1 HKAF CCOC(=O)[C@@H](CC)[C@]1(c2cccc(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587520999 CCDXUBLRCQRZQY-ATIYNZHBSA-N 406.522 5.324 0 1 HKAF O=C(O)c1ccoc1COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587533281 PEKMCVHHFOUIIQ-JOCHJYFZSA-N 418.445 5.142 0 1 HKAF COc1cc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1 587543549 KTMTYYIHUDVOCT-WIYYLYMNSA-N 417.244 5.411 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cc(Cl)ccc2n1 587551611 HONJWXWSQBBGQU-OFNKIYASSA-N 403.821 5.297 0 1 HKAF CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(C)C 587592826 HLRCDNQMOSUBKN-RCZVLFRGSA-N 420.461 5.281 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(C(=O)C(F)F)c2c1 587640022 BBUUXMKRNAGCRB-NSHDSACASA-N 406.270 6.559 0 1 HKAF CC[C@@]1(c2cc(Cl)ccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587694319 HBFQJBLYRQBQJG-NSPYISDASA-N 412.730 5.438 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cc(Cl)ncc3c2)N1 587705274 MAVSZTJBBBCTSQ-OVWNDWIMSA-N 405.698 5.413 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2F)(C(F)(F)F)N1 587707071 SKVVHTOVYGDKQE-XXFAHNHDSA-N 406.192 5.067 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2C(F)(F)F)N1 587711283 JOBBZZGMEUAEQA-PWJLMRLQSA-N 406.192 5.370 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)F)c(Cl)c2)N1 587717569 LRYWWTRKCBFAEW-VPTHRUTESA-N 420.656 5.467 0 1 HKAF Cc1cc(OC(F)(F)F)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587718531 IOOIOZUGWTWYMW-BMLIUANNSA-N 418.228 5.419 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cccc2OC(F)F)N1 587718920 PCMVVABJVGKRFL-BCTVWOGZSA-N 420.656 5.467 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)CN(C)Cc2ccccc2)N1 587742569 SAJYCDYGKQAJGL-QVKFZJNVSA-N 419.382 5.322 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3ccccc3)c2)N1 587816502 YYORQQASNWTFJL-WNSKOXEYSA-N 410.330 6.053 0 1 HKAF Cc1ccc(-c2ncc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 587853502 NOTFBTCFPJQJPO-BLVKFPJESA-N 417.347 5.644 0 1 HKAF COc1cccc(OCc2cccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)c2)c1 587874228 YFMNOYDCYUDBSB-UHFFFAOYSA-N 416.408 5.071 0 1 HKAF CSc1ccc(-c2csc(-c3cccc(I)c3)n2)cc1 587926228 WGTWAOFNCRMFRO-UHFFFAOYSA-N 409.317 5.804 0 1 HKAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 587938307 UQOLRVWVLFRBNG-XXFAHNHDSA-N 418.337 5.446 0 1 HKAF Cc1cc(OCCn2c(O)cc(-c3ccccc3Cl)c2O)c(C(C)C)cc1Cl 587941074 MGQLDJMLOOXPRU-UHFFFAOYSA-N 420.336 6.384 0 1 HKAF Fc1ccc(Br)c2c1[C@@]1(CC2)NCCc2cc(-c3ccccc3)ccc21 962671203 WTWVXDXPYUHTFB-QHCPKHFHSA-N 408.314 5.591 0 1 HKAF C[C@@H]1Cc2cc(Br)ccc2[C@]12c1ccsc1CCN2Cc1ccco1 962701132 BOXBXFMJISURRA-SZNDQCEHSA-N 414.368 5.598 0 1 HKAF COc1cccc(-c2cccc([C@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)c2)c1 962729263 HMFMVUYGMUKJCS-FCHUYYIVSA-N 411.423 5.097 0 1 HKAF Cc1sc2c(c1C)CCN[C@]2(c1ccncc1)c1ccccc1NC(=O)C(C)(C)C 963032746 VEXACBRXERAZJT-RUZDIDTESA-N 419.594 5.182 0 1 HKAF O=C(O)CCC[C@]1(c2cc(F)cc(Cl)c2)c2c(F)cccc2C[C@@H]2CCCN21 963104972 MIHHLLQWIZSFKB-AVRDEDQJSA-N 405.872 5.137 0 1 HKAF CSc1snc2sc([C@]3(C)NCCc4c(Cl)cc(Cl)cc43)c(N)c12 963111182 NEVMTLJPHNUMMC-MRXNPFEDSA-N 416.424 5.378 0 1 HKAF Cc1ccc(C[C@@]2(C3CC3)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963190072 NVKZRLDOEQCHOP-CTNGQTDRSA-N 423.862 5.114 0 1 HKAF CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OC)NC(=O)[C@@H](N)CC(C)C 1772628812 BIKMFTMYIRGJNX-MKQHVLOSSA-N 424.670 5.665 0 1 HKAF CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCC(=O)O)[C@@H]3[C@H](O)C[C@@H]2C1 1772656696 QGNZYQUGRWATEY-IFJDUOSNSA-N 406.607 5.132 0 1 HKAF O[C@H](CNCCC1CCCC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 1857578058 HPSCNQRWPLUVKL-MRXNPFEDSA-N 420.397 5.476 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356387648 CMDFMNRXDJEXBA-MWRHYBDOSA-N 400.691 7.923 0 1 HKAF CCC(=CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356540759 JNYKCGNCXSSXEF-LQOXIJNNSA-N 412.702 7.945 0 1 HKAF CC(C)=CCC[C@@]1(C)C=Cc2c(cc3c(c2O)C(=O)C[C@H](c2cc(O)cc(O)c2)O3)O1 2356775794 OMWKLHZQLGFNOZ-NLFFAJNJSA-N 422.477 5.421 0 1 HKAF c1ccc(-c2c(-c3ccc(OCCCN4CCCCC4)cc3)cn3ccccc23)cc1 1909691 GYWKLGRAFKRQNM-UHFFFAOYSA-N 410.561 6.528 0 1 HKAF CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl 4207469 XMJUWLUFBVQBQO-PKOBYXMFSA-N 409.288 5.141 0 1 HKAF O=C(c1cc2c(=O)oc3ccccc3c2s1)N1CCC(Cc2ccccc2)CC1 4875685 HYSGJPKICBYKRD-UHFFFAOYSA-N 403.503 5.103 0 1 HKAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)O)[C@@]4(C)CC[C@H]32)C1 17299318 FCQRLHQHKFKTQE-JAJSSIGVSA-N 418.618 6.078 0 1 HKAF Fc1ccc([C@@H]2C[C@@H]3CC[C@H]([C@H]2c2ccc(F)cc2)N3CCc2ccccc2)cc1 27074735 TULWTCRECLIYGX-NFGXINMFSA-N 403.516 6.312 0 1 HKAF C[C@@H](C(=O)OCC(=O)c1ccccc1)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27556063 QPPLHRWKCMWRRN-NSISKUIASA-N 422.546 5.311 0 1 HKAF CC1(C)[C@@H]2C=C(CN3CCC(NC(=O)Nc4ccc(Cl)c(Cl)c4)CC3)[C@H]1CC2 45227917 ZHCQGEQHIUXPJR-MAUKXSAKSA-N 422.400 5.572 0 1 HKAF CC(=O)[C@H]1[C@@H](NCc2ccccc2)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 71329260 WVPKGCIRBRCVAQ-JWLDDNKLSA-N 421.625 5.284 0 1 HKAF FC(F)(F)Oc1ccc(CNCc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1 72103563 BWILJQITBIGVCF-UHFFFAOYSA-N 416.321 5.549 0 1 HKAF Cc1ccc(/C=C/C(=O)Nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)cc1 72107685 WGXVZORBBGBUMX-FMIVXFBMSA-N 414.896 5.987 0 1 HKAF FC(F)Oc1ccc(Nc2cc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1 73196443 KKYLHZLMVCIIRM-UHFFFAOYSA-N 411.456 5.556 0 1 HKAF CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccccc2)n1 82163249 RNHXLOJNWAALDQ-MRXNPFEDSA-N 416.550 6.153 0 1 HKAF Clc1ccc2c(Nc3ccc4oc(NCCN5CCCC5)nc4c3)ccnc2c1 84672135 YTYZJCXEZBGVPD-UHFFFAOYSA-N 407.905 5.281 0 1 HKAF CCCOc1cc2c(Nc3cccc(-c4csc(C)n4)c3)ncnc2cc1OC 84690308 UFMJGUWVAZVRKT-UHFFFAOYSA-N 406.511 5.603 0 1 HKAF CCN(CC)c1ccc(C)c2nc(-c3c(OC)cc(COC)cc3OC)c(F)cc12 84729963 LNUTZRGNLRCTNW-UHFFFAOYSA-N 412.505 5.359 0 1 HKAF OCC1CCN(c2ccccc2Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)CC1 95562366 ZORCKVZAICILEF-UHFFFAOYSA-N 414.509 5.308 0 1 HKAF CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCCC[n+]2ccccc2)cc1 95564933 PVVPGZPDJJVPBD-UHFFFAOYSA-O 417.529 5.068 0 1 HKAF CCn1cc(C(=O)Nc2ccc(F)cc2F)c(Oc2cccc(C(F)(F)F)c2)n1 103294671 SFSRIZBRMJGRRP-UHFFFAOYSA-N 411.330 5.245 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@@]21C 135624162 VYTVWDKLFRPKCF-FTLVODPJSA-N 400.647 6.281 0 1 HKAF CC1=C(CC/C(C)=C/CO)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H](OC(=O)CC(C)C)[C@H]1O 135749873 KLRYQYMRBCEOHD-PKRSCGOWSA-N 406.607 5.187 0 1 HKAF C/C=C/c1cn2c(-c3ccc(C(=O)NC4CC4)c(Cl)c3)cnc2c(NCC(C)C)n1 169212700 XEEGBWSNFPXDMJ-SNAWJCMRSA-N 423.948 5.043 0 1 HKAF CCCNC[C@H](O)COc1c(C(C)(C)C)cc(/C=C/c2ccccc2)cc1C(C)(C)C 169315717 CACPUSBXBALDSD-NSFRLNINSA-N 423.641 6.191 0 1 HKAF O=c1c2ccc(Cl)cc2n(-c2ccccc2)c2ss/c(=N\c3ccccc3)c12 169657554 UNCUDFYBXJOMIO-FLFQWRMESA-N 420.946 6.153 0 1 HKAF Brc1cnc(Nc2cccc3ccccc23)nc1Nc1cc(C2CC2)[nH]n1 203003084 WZUPSQDMAKNOFD-UHFFFAOYSA-N 421.302 5.480 0 1 HKAF CC(C)CCC[C@@H]1C(=O)OC[C@]23CC[C@H]4[C@@H](CC=C5C[C@H](O)CC[C@@]54C)[C@@H]2CC[C@H]13 238734106 FMGJZNYCKWFPAI-XLHBGBJPSA-N 414.630 5.906 0 1 HKAF C/C=C(\CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C=C[C@@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 255211671 GBBBJSKVBYJMBG-GSJWNOITSA-N 412.702 7.801 0 1 HKAF C[C@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1)c1ccc(F)cc1 299877534 HLLLJGNVRALAQE-JBZDTAIVSA-N 412.848 5.041 0 1 HKAF CC[C@H]1OCCC[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 586914242 URQHXPFGWVHMQT-DNVCBOLYSA-N 415.331 5.577 0 1 HKAF CC(=O)NCCc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 586995359 GHDAENIMQAYSBU-UHFFFAOYSA-N 406.485 5.100 0 1 HKAF N[C@@H](N=O)c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 586998767 QQOKUXUEBCIJMU-OSICKASQSA-N 423.270 5.480 0 1 HKAF CCCCOc1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cc1Br 587016184 HOMFMMQANYOIAK-HNNXBMFYSA-N 422.348 5.479 0 1 HKAF Cc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1F 587017601 NUKNLSSCEZXBMO-UHFFFAOYSA-N 408.321 5.549 0 1 HKAF c1ccc2sc(-c3ccc4[nH]c(-c5ccc(-c6nccs6)cc5)nc4c3)nc2c1 587023246 GNXVBRUTSYRMTE-UHFFFAOYSA-N 410.527 6.630 0 1 HKAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1 587070157 GHWHURSYDBYPET-UHFFFAOYSA-N 418.305 5.338 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cccc(F)c3Br)nc3cccc1c23 587104388 SRSHXOFHGNQQGQ-UHFFFAOYSA-N 404.238 6.015 0 1 HKAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c(F)c2)c1 587138452 JHPYDFBZSFEFQB-UHFFFAOYSA-N 420.749 5.805 0 1 HKAF COc1ccc(C(=O)c2ccccc2-c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1F 587144485 MPIFYEBLILYEEA-UHFFFAOYSA-N 416.239 5.310 0 1 HKAF Fc1ccc2[nH]c(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c(Cl)c2c1 587174765 LGIRFEZYIHAYJL-UHFFFAOYSA-N 400.585 5.544 0 1 HKAF COc1ccc(Cl)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334533 UZVIMMNBUWTRAL-JTHBVZDNSA-N 412.844 5.468 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cn1c(Cl)nc3ccccc31)(c1ccccc1)O2 587380244 ROBBGOLHABWKEW-XMMPIXPASA-N 417.896 5.141 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C(F)(F)F)cc4)cc1)[C@@H](C2)C3=O 587424401 YPUBJHJPJDWWEY-WMZHIEFXSA-N 410.391 5.870 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1cc(F)ccc1F)(c1ccccc1Cl)[C@@H](C2)C3=O 587424872 WRYWEJLZXZDVBA-GAJHUEQPSA-N 412.819 5.318 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1cc4c(cc1C)C(C)(C)[C@H](C)C4(C)C)[C@@H](C2)C3=O 587443460 AFMRCXDPXWXMSL-UPSBZIQUSA-N 404.550 5.871 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1cccc(Br)c1)(C(C)C)CC2=O 587459883 ZJPGFCFEGJMHQL-OAQYLSRUSA-N 403.316 5.624 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC(C)(C)C(=O)O)(c1ccc(Cl)cc1)CC2=O 587462187 NVTWFECYFWSYDT-QHCPKHFHSA-N 416.901 5.360 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(OC(F)F)cc1)CC2=O 587466018 LFRJWTTUEINEJD-VWLOTQADSA-N 424.443 5.855 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cnc(OC)c(C)c3)s1)CC2=O 587493408 GWYNKSBBPZXALV-IBGZPJMESA-N 409.507 5.492 0 1 HKAF COc1ccccc1[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500661 MZFSHCBJUNVDAN-SANMLTNESA-N 418.920 6.136 0 1 HKAF Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1C(F)(F)F 587548652 OIFWPGRKXPHRDH-DENIHFKCSA-N 414.379 5.596 0 1 HKAF CC[C@H](C)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC 587590334 BZVXXVLKYISILA-YBJNYKISSA-N 404.462 5.617 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccccc2)cc1 587591900 IDHXILXXWHZQHN-IGKIAQTJSA-N 424.452 5.674 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1cccs1 587615599 XHQJRKDXCRKQDP-URXFXBBRSA-N 400.455 5.824 0 1 HKAF CCOC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccc(Cl)cc1Cl 587628155 JAHFLIVSFWKHOR-UHFFFAOYSA-N 414.647 5.675 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(Cl)c2Cl)N1 587693391 NIFKJDMUYLWAJQ-GYKQLYQFSA-N 405.094 5.224 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cccc(Cl)c2)N1 587694864 AQRYIGQPFTYXEJ-YUNKPMOVSA-N 419.725 5.656 0 1 HKAF CC(C)[C@]1(CCc2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587697060 LFRVKQQFJZFUGZ-SZNDQCEHSA-N 424.785 6.260 0 1 HKAF CC(C)Oc1ccc(Cl)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587698917 QQKBXAPTTPTDLT-JEOXALJRSA-N 412.730 5.652 0 1 HKAF Cc1cc(F)ccc1-c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587727524 BPWSYGZPVYMKEG-LAJNKCICSA-N 418.281 5.919 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccc(F)cc12 587736776 WWCHCFNOPIVNTI-VERVWZFWSA-N 412.277 5.534 0 1 HKAF CCCOc1c(C)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587794108 ODZUBZWTSIMINH-VBKZILBWSA-N 406.339 5.617 0 1 HKAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)(C)C 587808112 OZPRMBCIFPRHMQ-WHEQGISXSA-N 420.366 5.692 0 1 HKAF CC[C@H](C)c1ccc([C@@]2(CC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587811471 GJIGPVIQEFINLH-SMASLZHESA-N 404.367 6.290 0 1 HKAF Cc1cccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)c1 587827308 JLFDHMQHGMNLQO-YEJXKQKISA-N 400.291 5.780 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1cccc(C)c1C 587858401 HZKAWVOLQZQTKY-UHFFFAOYSA-N 419.308 5.592 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cncc2ccccc12 587863853 BVTZNEFMONGXSI-UHFFFAOYSA-N 411.383 5.204 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C(C)(C)C)ccc1OC 587865869 MSCWWNIGOGAVJM-UHFFFAOYSA-N 418.459 6.263 0 1 HKAF CCCCc1ccc(-n2c(O)cc(-c3cccc(OC)c3)c2O)c(Br)c1 587935043 ASMMETLAAFLZFH-UHFFFAOYSA-N 416.315 5.669 0 1 HKAF Fc1cc(-c2cccs2)ccc1[C@@H]1NC2(CC2)Cc2ccc(Br)cc21 961615564 PQAOSGRGPFMAFZ-FQEVSTJZSA-N 414.343 6.084 0 1 HKAF NC(=O)N1CCc2sccc2[C@@]12C=C(c1ccccc1)Oc1ccc3ccccc3c12 962703515 DHLQEGBXHIWTCV-AREMUKBSSA-N 424.525 5.515 0 1 HKAF Cc1cc(Cl)cc2c1OCCC[C@]21c2ccsc2CCN1Cc1cccnc1 963010419 NMNRGGSHIOIUJP-QHCPKHFHSA-N 410.970 5.579 0 1 HKAF Fc1cccc2c1[C@](c1ccccc1)(c1cccc(Br)c1)N1CCC[C@@H]1C2 963089376 HBFUIUHERXYLKS-QPPBQGQZSA-N 422.341 5.901 0 1 HKAF CC(C)(C)OC(=O)N[C@H]1CC[C@H](C[C@@H]2c3ccc(F)cc3C[C@H]3CCCN32)CC1 963102127 KGCDABSGZICYMM-KREFBHGWSA-N 402.554 5.361 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@]2(CCc1c(C)cccc1C)C1CCCCC1 963272324 ZRPRLXZCMKOJJP-AREMUKBSSA-N 412.017 6.520 0 1 HKAF Clc1ccc([C@@]2(c3ccc(Cl)nc3)NCCc3cc(Cl)ccc32)c(Cl)c1 963390209 GYOJCSMFQCQUGE-FQEVSTJZSA-N 424.158 6.133 0 1 HKAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]21CCc2ccc(C)cc21 963903812 HOFUYNNIAKAUFP-IBVKSMDESA-N 421.537 5.130 0 1 HKAF COC1=CC(c2c(OC)cccc2OC)=NC1=CC=C1N(C)c2ccccc2C1(C)C 1857589429 NELZDQCSGWRCBU-UHFFFAOYSA-N 416.521 5.232 0 1 HKAF Cc1ccnc(NC(=O)[C@H](C)c2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)c1 1857636197 LHSSURSAQNZWRD-CQSZACIVSA-N 400.404 5.290 0 1 HKAF C[C@@H](CC[C@@H](C)[C@@H](C)CO)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356592629 DUZMPSZAXXOQBT-WTOGRZKJSA-N 416.690 6.607 0 1 HKAF COc1ccc2c3c(c(=O)oc2c1)[C@@](C)(CCC=C(C)Cc1cc(C)co1)[C@H](C)O3 2356597144 VQRPFWMTIIMDKU-GKVSMKOHSA-N 408.494 5.711 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1[C@]1(C)CC(c2ccc(Cl)cc2)=NO1 12477201 KEZXEAQIIQWZEC-FQEVSTJZSA-N 403.334 6.465 0 3 HKAF CC(C)c1ccc(NC(=O)Nc2nc([C@@H](N)COCc3ccccc3)cs2)cc1 61927187 WJCMRSVUGWARIZ-IBGZPJMESA-N 410.543 5.127 0 3 HKAF O=C(Nc1ccc(Cl)cc1Cl)O[C@H]1CCC12CCC(c1ccccc1)CC2 205706930 JJFQZIQODBUBIT-BRFBUHTJSA-N 404.337 7.049 0 3 HKAF COc1cc(OC)c2c(c1)[C@@H](CCCCCCCCCCCCC(C)=O)OC2=O 13367449 MUKFFTYQWKJCKI-OAQYLSRUSA-N 404.547 6.186 0 1 HKAF biogenic CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C 13546903 XZEUYTKSAYNYPK-HFOFPBCXSA-N 412.702 7.779 0 1 HKAF CC(=O)OC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1c(O)c2ccccc2oc1=O 15215643 DGXYXHBBMGOEMA-OSWOODOJSA-N 424.537 6.004 0 1 HKAF CC(C)C[C@@H]1CN2C(=NC[C@@H]2C2CCCCC2)N1[C@@H](C)C12CC3CC(CC(C3)C1)C2 27298641 MAZRBQBUKHKABG-WJMUHDMSSA-N 411.678 5.942 0 1 HKAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCCCCCCCCCCCCO)O2 28397113 OAXDGVVGFGVLPE-HHHXNRCGSA-N 418.662 7.465 0 1 HKAF CC1(C)OC[C@H](c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccc(F)cc2)O1 29126355 FPFIIGYLVIKXIX-JOCHJYFZSA-N 414.480 6.169 0 1 HKAF Cc1ccc([C@@H]2c3[nH]c4cc(F)ccc4c3CCN2C(=O)CCc2ccccc2)cc1 35901543 BXLKXLBSGMVMNY-HHHXNRCGSA-N 412.508 5.722 0 1 HKAF CCc1cccc2c(C3=CCN(CCc4coc5ccc(OC)cc45)CC3)c[nH]c12 38321528 NCOVTDFDEMEMLS-UHFFFAOYSA-N 400.522 5.817 0 1 HKAF CC(C)c1ccnc2c1c(Sc1ccc(Cl)cc1)c1n2CCC[C@H]1CC(=O)O 40380047 RCUUGUXXIMFUAQ-AWEZNQCLSA-N 414.958 6.316 0 1 HKAF O[C@@H](CNCc1cccc(Oc2ccc(Cl)cc2)c1)c1cccc(C(F)(F)F)c1 45187147 CMTFWHKFIYSDBZ-NRFANRHFSA-N 421.846 5.974 0 1 HKAF Cc1ccccc1Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21 45367913 JRPRRAJZLFVZIY-UHFFFAOYSA-N 413.517 7.004 0 1 HKAF O=C(O)C1CN(Cc2ccc(-c3cc4ccc(Cc5ccccc5)cc4o3)c(F)c2)C1 66097495 FMPBLEBAOMIBHP-UHFFFAOYSA-N 415.464 5.346 0 1 HKAF CCC[C@H](CC(=O)O)n1ccc(-c2ccc(OC)cc2)c1-c1ccc(C(N)=O)cc1C 71281938 UWKDOZUAOSMAJC-LJQANCHMSA-N 420.509 5.054 0 1 HKAF COc1cccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)c1 84669409 VADMXSBIVTVLGD-KJYTXNCISA-N 416.609 5.776 0 1 HKAF CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NC(=O)c4ccccc4)c3)n2)cc1 95558663 VQAONYKIVYSXJJ-UHFFFAOYSA-N 423.476 5.098 0 1 HKAF CC[C@H](C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccncc1 100703392 UGVLSVWFYFCTNY-LRDDRELGSA-N 410.543 5.318 0 1 HKAF COc1ccc(/C=C2\C(=O)N(C)c3ccc(Cl)cc32)cc1O[C@@H]1C[C@@H]2CC[C@@H]1C2 100812392 FFFLXXMNEHFKKE-ISTVNPIPSA-N 409.913 5.433 0 1 HKAF Cc1ccccc1CSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(O)CCCC1=N2 103894397 KIHNFMWPCBALNG-NRFANRHFSA-N 420.513 5.689 0 1 HKAF Cc1ccccc1-c1nc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)ncc1-c1nc(C)c(C)o1 105203062 QJQZCOWGPHUYFD-UYIIBVGGSA-N 416.569 6.206 0 1 HKAF Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccnc4cc(C(=O)O)sc34)cc2)c1 116235669 RURFZMWFAJCNHV-UHFFFAOYSA-N 421.453 5.753 0 1 HKAF Cc1cccc(C)c1COc1ccc2c(-c3ccc(C=O)cc3)cc(C(=O)O)cc2c1 144203673 DJGWZQMFVGNLGZ-UHFFFAOYSA-N 410.469 6.213 0 1 HKAF FC(F)(F)c1ccc2nc([C@@H]3[C@H]4Oc5ccc(Oc6ccncc6)cc5[C@H]43)[nH]c2c1 150301055 MQIILRMBQJPTPO-UFYCRDLUSA-N 409.367 5.411 0 1 HKAF C/C(=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](C)C(C)C 169621390 SXOOOXJHQQTJJY-UCUGPCMVSA-N 412.702 7.801 0 1 HKAF O=C(O)[C@H](CC(=O)C1(S)Cc2ccccc2C1)Cc1ccc(-c2ccccc2)cc1 219770667 NDMMJXINFMVUMI-QHCPKHFHSA-N 416.542 5.024 0 1 HKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 586878374 GDNIQQIKJXQPEV-UHFFFAOYSA-N 412.386 6.236 0 1 HKAF Brc1ncc(Br)c2[nH]c(-c3ccc(C4CCC4)cc3)nc12 586880527 LZLHWFQOYDPXOB-UHFFFAOYSA-N 407.109 5.417 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2ccc3ncccc3c2[nH]1 586980801 AOACQRWPHMAUDZ-UHFFFAOYSA-N 424.342 6.500 0 1 HKAF Nc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1Br 586985642 XJDMRMYJNBTPEF-UHFFFAOYSA-N 417.262 5.164 0 1 HKAF N=C(N)c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 586998888 RMSMFMUBSNDOMT-YFHOEESVSA-N 407.271 5.040 0 1 HKAF CC(C)(C)c1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 587004279 SJJCYLRUMDUAQM-GFCCVEGCSA-N 413.315 5.258 0 1 HKAF Fc1c(Br)ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 587065147 VJKRLWNUIDYVNF-UHFFFAOYSA-N 421.653 5.957 0 1 HKAF CCCOc1cc2nc(-c3ncccc3C(F)(F)F)[nH]c2cc1Br 587109038 QTQHXLILOHCFKO-UHFFFAOYSA-N 400.198 5.195 0 1 HKAF CCOc1cc(/C=C/c2nc3cc(-n4cccn4)c(F)cc3[nH]2)ccc1OC(F)F 587130412 LZIQZVJIWLOFTI-FNORWQNLSA-N 414.387 5.058 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(F)c1 587144260 GXSFVWRWKMTVBN-UHFFFAOYSA-N 418.321 5.599 0 1 HKAF CCCCOc1cc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2cc1Br 587162147 TXQQFFOTIRBURS-GJZGRUSLSA-N 403.295 5.915 0 1 HKAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(C)cc(F)c3[nH]2)c1C 587166132 TZOOEWNNTXIJSI-UHFFFAOYSA-N 423.463 5.346 0 1 HKAF CCc1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1 587178430 BBSSPGNIZKBMMC-UHFFFAOYSA-N 416.184 5.416 0 1 HKAF C[C@]1(CCc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327164 FHYRTMCIAGBKAW-ISKFKSNPSA-N 410.872 5.935 0 1 HKAF Cc1ccc(F)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1Cl 587329291 DLWRNDXJSSMJPS-CVDCTZTESA-N 414.835 5.907 0 1 HKAF CCOC(=O)[C@H]1CCc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C1 587363732 TZJFBANBRLEJGU-INIZCTEOSA-N 401.462 5.325 0 1 HKAF COc1cccc(-c2cc([C@@H]3C[C@H](CC(=O)O)C3(C)C)nc3c2oc2ccccc23)c1 587364747 CIRICFDTGJLIDA-UZLBHIALSA-N 415.489 6.261 0 1 HKAF C[C@@]1(CCc2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587378704 WFZSADSOVAFNOI-IRLDBZIGSA-N 416.901 5.997 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](C)N(Cc1ccccc1)Cc1ccccc1)O2 587386484 JOCFZAPNKJZMNK-UQBPGWFLSA-N 400.522 5.002 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(-c3cccc(Br)c3)n1)O2 587415128 XKPJOJBWIJIUKQ-QGZVFWFLSA-N 415.312 5.170 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cccc(OCc4c(F)cccc4Cl)c1)[C@@H](C2)C3=O 587424502 OPGZADZJWMLTHU-BXKMTCNYSA-N 424.855 5.555 0 1 HKAF COc1cc(Br)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587501439 XLQZEEFGSGSRLM-SFHVURJKSA-N 417.299 5.052 0 1 HKAF CC(=O)c1ccc(Cc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 587521208 DPDNNYULLVLQQI-GDLZYMKVSA-N 424.540 6.239 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(O)c(Cl)c1 587541509 FIJMTBDIMUALBC-OXQOHEQNSA-N 403.217 5.108 0 1 HKAF Cc1ccc(O)c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587608240 KNZGHSJUKSUMNU-SHQCIBLASA-N 424.452 5.312 0 1 HKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@H](C)NC(=O)OC(C)(C)C 587625837 OIDUVTODPFDZSP-VIFPVBQESA-N 410.358 6.100 0 1 HKAF Cc1c(Br)cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587676975 JLKFGDUTBMCLLW-HUTHGQBESA-N 413.128 5.283 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(C(F)(F)F)cc2)N1 587715092 RMKATIDCGSRONY-ADLMAVQZSA-N 416.256 5.599 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(C(F)(F)F)c2F)N1 587715951 YYENGEBRUZMMED-HUTHGQBESA-N 420.219 5.544 0 1 HKAF CSc1ccc2c(c1)CCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587848794 XXRXUHZBAMHSMI-ODXCJYRJSA-N 406.364 5.424 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(Cl)cccc3s2)N1 587858436 QOLDPELQJNQYOB-DYBLOJMWSA-N 410.739 6.080 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1ccccc1C(C)C 587869820 SOQNQZJDVOXQCU-UHFFFAOYSA-N 420.460 5.341 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccccc1OCc1ccccc1 587870192 BKJQJOZAUNCJKZ-UHFFFAOYSA-N 416.452 5.355 0 1 HKAF CC(C)Oc1cc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2cc1Br 587952050 XKGXSSCVNRNLGE-UHFFFAOYSA-N 401.304 5.711 0 1 HKAF COc1cccc(Nc2cncc3nc(-c4ccc(N5CCCCC5)cc4)cnc23)c1 653720678 SNSKMGFZGTWQSI-UHFFFAOYSA-N 411.509 5.434 0 1 HKAF CCC[C@@]1(c2c(C)c3ccccc3n2C)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962573477 SBHIQNKFFACINH-QUGAMOGWSA-N 406.570 5.424 0 1 HKAF C[C@@]1(c2ccc(O)cc2Cl)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962647818 WOXSFMJIJFUZKT-CPJSRVTESA-N 404.941 5.056 0 1 HKAF CCOC(=O)c1ccc(C[C@@]2(c3ccccc3)NCCc3cccc(Cl)c32)cc1 963390611 LLNMZVFABZMTMC-VWLOTQADSA-N 405.925 5.149 0 1 HKAF CCCOc1ccc(-c2cccc(CNc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 1857567856 QOCATRURHTTZRF-UHFFFAOYSA-N 423.484 5.665 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)Nc1ccccc1O 1857615887 ZGOKMKUEMSLYPS-KUBAVDMBSA-N 419.609 7.809 0 1 HKAF O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ncccc1OCc1cccc(Cl)c1 1857649809 GTHLFZUWKDRAPL-UHFFFAOYSA-N 422.699 6.265 0 1 HKAF Clc1ccc2c(c1)SCc1cnc(Nc3cccc(Br)c3)nc1-2 1857768854 VUIOTYYLURHWCO-UHFFFAOYSA-N 404.720 5.909 0 1 HKAF CCOC(=O)c1cc(-c2ccccc2Cl)c2c(C)c(-c3ccncc3)c(C)cc2n1 1857772011 HTHLNNJLGNKAAG-UHFFFAOYSA-N 416.908 6.411 0 1 HKAF C[C@@H](CCC[C@@H](C)C(=O)O)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356345654 WWAMLGNSINNDPI-HFIRDXBBSA-N 416.646 6.453 0 1 HKAF CC(C)[C@@H](C)[C@@H]1C[C@H]1[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356487491 CMQUZVIEHACIBO-HCUQXDSZSA-N 412.702 7.491 0 1 HKAF Cc1ccc(O)cc1CC[C@H]1[C@@H]2CC[C@@H]([C@H](C)CC[C@H](C)C(C)C)[C@@]2(C)CC[C@H]1O 2356511702 MGNWMLGIVDEXBR-VYVAJGEVSA-N 414.674 7.145 0 1 HKAF C[C@H](CO)CC[C@@H]1O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2[C@@H]1C 263590649 FYYDHQYCPMWNIL-XPTKJYMLSA-N 416.646 5.348 0 3 HKAF CC[C@@H](C)/C=C/C=C/C=C1\CO[C@@H](c2c(O)c(-c3ccccc3)cn(O)c2=O)[C@H](C)C1 3933015 IXMWFEZJSGIEGP-TUPSCVITSA-N 421.537 5.641 0 1 HKAF O=C(O)C1(c2ccc(-c3ccc(OC4CCC(C(F)(F)F)CC4)cc3)c(F)c2)CC1 3986652 UJEZCMCMAKNZKV-UHFFFAOYSA-N 422.418 6.109 0 1 HKAF COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(Cc5ccccc5)c34)O[C@@H]21 13474871 ZNDQFSMTECRSAH-MHZLTWQESA-N 410.517 5.525 0 1 HKAF CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=O)Nc4ccccc4)CC3)cc12 13553511 TZKXEOWIBWUSOC-HSZRJFAPSA-N 414.553 5.126 0 1 HKAF Cn1ccc2ccc(CN3CCC(Nc4cc(=O)oc5ccc(Cl)cc45)CC3)cc21 13673211 QBHSWGHSHDNICY-UHFFFAOYSA-N 421.928 5.015 0 1 HKAF C[C@@H](CCCc1coc(C[C@H](C)C(=O)O)c1)Cc1cc(CCCc2ccoc2)co1 14439611 XBNXDSNAWAAPPE-OALUTQOASA-N 412.526 6.106 0 1 HKAF biogenic CCCc1c(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)ccc2[nH]ccc12 14977259 COMKHPFSTDCPRN-SFHVURJKSA-N 407.510 5.473 0 1 HKAF CC1=CC[C@H]2[C@](C)(CCC[C@@]2(C)COC(=O)CC(C)C)[C@]12CC[C@@](C)(CC(=O)O)O2 15165085 JKSCZMHBMZAASY-DKEXWMQESA-N 420.590 5.521 0 1 HKAF biogenic CC[C@]12CCCN(Cc3ccccc3)[C@@H]1c1c([nH]c3ccccc13)[C@@H](C(=O)OC)C2 16958096 IBFSIGFORJKEAJ-HQCZVFHSSA-N 402.538 5.562 0 1 HKAF CCOc1cc2c(cc1OC(C)=O)CCC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]12 26491294 HWAVFONLHJLREU-ASDQOZNMSA-N 414.542 5.189 0 1 HKAF CN(C(=O)C1[C@@H](c2ccccc2)[C@H]1c1ccccc1)[C@H]1CCCC[C@@H]1N1CCCC1 26747811 WBABSZHKMKONHN-ZGVHCKSHSA-N 402.582 5.049 0 1 HKAF C[C@@]1(O)CC(=O)O[C@@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)s2)C1 27438794 BTQJILDQUFRQTI-VGSWGCGISA-N 411.548 5.026 0 1 HKAF CC(C)N(Cc1cccc2c1OC(C)(C)C=C2)C(=O)c1ccc(-c2ccccc2)cc1 28523756 CFKNGULBDDHDNU-UHFFFAOYSA-N 411.545 6.589 0 1 HKAF O=C(O)c1ccc(-c2cnc(C(=O)CCc3ccc(Oc4ccccc4)cc3)o2)nc1 29135768 VALWJNCGKALXHT-UHFFFAOYSA-N 414.417 5.043 0 1 HKAF C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820989 DEZLYZBLMUAYLV-HMSXJSJPSA-N 420.678 5.554 0 1 HKAF Cc1ccc(SC[C@H](Cc2ccccc2)N2CC[C@@H](C(C)(C)C)CCC2=O)cc1 36382967 XPOGBJQHPCVPMM-GOTSBHOMSA-N 409.639 6.373 0 1 HKAF Cc1ccc(CN2CCO[C@]3(C2)CC(C)(C)Oc2ccc(Br)cc23)cc1 40846516 LLIZVZGFJHSUQZ-QFIPXVFZSA-N 416.359 5.046 0 1 HKAF CCN(CC)CC(=O)N1C[C@@H](c2ccccc2)Oc2c(C)c(C)c(Cl)c(C)c21 40899090 YVTMJRAJVZJHPK-IBGZPJMESA-N 400.950 5.074 0 1 HKAF Cc1ccc(OCc2ccccc2-c2nnc(-c3cccc(Br)c3)o2)cc1 64448440 APBYOICGNLUCRJ-UHFFFAOYSA-N 421.294 6.054 0 1 HKAF CCOc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(CC)(c5ccccc54)[C@@H]3C2=O)cc1 68588150 BOFBVEYGRYDFAQ-GMMLXXJASA-N 423.512 5.046 0 1 HKAF biogenic CC(C)(C)OC(=O)NC[C@H](c1c[nH]c2ccc(Cl)cc12)N(O)Cc1ccccc1 71332071 TZJNUIXNZSMRGE-HXUWFJFHSA-N 415.921 5.279 0 1 HKAF CC[C@@H](C)Cn1c(-c2cccs2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188474 DEBZMFVCMGGDHQ-SJORKVTESA-N 405.571 5.817 0 1 HKAF c1ccc([C@H]2c3ccccc3C3=Nc4ccccc4S[C@@H](c4ccccc4)[C@H]32)cc1 95559505 CJFITVUYKIGKBQ-NSVAZKTRSA-N 403.550 7.416 0 1 HKAF Cc1ccc([C@H]2N=C(N3N=C(c4ccccc4)C[C@H]3c3c(F)cccc3F)S2)cc1 98082626 ZTICLBINCVAKSL-GMAHTHKFSA-N 419.500 6.226 0 1 HKAF OC1(c2ccc(Cl)cc2)C[C@H]2CC[C@H](C1)N2Cc1coc2c1ccc1ccccc12 101185535 UNGWGGUPRUDQFM-FGZHOGPDSA-N 417.936 6.254 0 1 HKAF CCCCSc1nnc([C@@H](C)Oc2ccc(Oc3ncc(Cl)cc3F)cc2)o1 103186016 UHSZXDWYQBLUGE-GFCCVEGCSA-N 423.897 6.082 0 1 HKAF CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2OC(C)C)C2=C(O)CCCC2=N1 103993419 BBTIXWBXFNHXMF-XMMPIXPASA-N 423.553 6.158 0 1 HKAF CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2)C2=C(O)CC(C)(C)CC2=N1 103993744 UOBMREOJQINWMU-QHCPKHFHSA-N 401.506 5.874 0 1 HKAF CC(C)/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1 114547173 DZKGJLVINAXXDR-AUMJCACJSA-N 408.501 6.276 0 1 HKAF O[C@@H]1CCC[C@@H](c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)C1 139182593 HHGBPGARRHXTDJ-SJLPKXTDSA-N 417.534 6.246 0 1 HKAF O=C(N[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3ccccc3F)c2)CC1)c1ccccc1 261134726 LTWJKLJPPJDNGM-TYKWCNGQSA-N 416.496 5.420 0 1 HKAF C[C@H](CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O 261499000 WVXOMPRLWLXFAP-LDERDYOKSA-N 416.646 6.453 0 1 HKAF endogenous,in-man CC(C)CCC[C@@H](C)[C@H]1CCC2=C3C=C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 261519474 JVKATXXFNVGWKA-BREPCKMYSA-N 400.647 6.424 0 1 HKAF Clc1cc(Cl)c(Br)c(-c2nc3cc(Br)ncc3[nH]2)c1 586976517 VPLCRVOUIAFUNB-UHFFFAOYSA-N 421.907 5.457 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2ccc(C(C)=O)cc2[nH]1 586982393 UXPVTNVCQUBCMZ-UHFFFAOYSA-N 415.331 6.154 0 1 HKAF CC(=O)c1ccc2cccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2n1 586988273 ONRASQJVCXENJP-UHFFFAOYSA-N 416.436 5.570 0 1 HKAF Cc1c(F)ccc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc12 587005297 RRFZYFZNOXCAAF-UHFFFAOYSA-N 415.104 5.585 0 1 HKAF FC(F)(F)Oc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Cl 587040577 IDTQTBYWPLBWIQ-GDBMZVCRSA-N 413.852 5.061 0 1 HKAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1 587064929 QNLMCZNHBYBJPZ-UHFFFAOYSA-N 410.857 5.161 0 1 HKAF COC(=O)Cc1c(-c2ccc(Cl)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587104590 UQUQWPIZIUDUMY-UHFFFAOYSA-N 413.860 5.482 0 1 HKAF C[C@H](C(=O)O)n1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c2ccccc21 587105216 STRHHNILJOJKNU-OAHLLOKOSA-N 418.452 5.714 0 1 HKAF CC(C)(C)OC(=O)N1CCC(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC1 587105304 XNANJQYDODAJHD-UHFFFAOYSA-N 414.505 5.561 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(Oc4ncccn4)cc3)nc3cccc1c23 587106095 LPOAIFMTTCYRDA-UHFFFAOYSA-N 401.425 5.696 0 1 HKAF CCOc1cc(/C=C\c2nc3ccc(Oc4ccccc4)cc3[nH]2)ccc1OC(F)F 587129063 BLYIEVROBNTORZ-LCYFTJDESA-N 422.431 6.526 0 1 HKAF Cc1c(Cl)ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c12 587239701 NRJFDQFDIWSTGJ-LEXZLQQCSA-N 419.953 5.080 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2c1 587242874 WOHWFDISBHKSSO-UHFFFAOYSA-N 405.457 5.910 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccccn2)[C@@H]1c1ccc(F)cc1 587339952 RGYNMMJPOPVYNF-AOYPEHQESA-N 411.432 5.229 0 1 HKAF CC[C@]1(c2ccc(OC(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344043 BMVIGOITTRPTGX-AOYPEHQESA-N 420.480 5.983 0 1 HKAF CCCOc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587351814 VIWIKYORMLFNRX-NOZRDPDXSA-N 406.453 5.594 0 1 HKAF COc1cccc(-c2cc(-c3ccc(OC)c(OC)c3)nc3c2oc2ccccc23)c1 587362597 KKLMRTPLJMIKQT-UHFFFAOYSA-N 411.457 6.341 0 1 HKAF CCCOc1cccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1 587362850 LVVUPMJSKHUPSH-UHFFFAOYSA-N 409.485 7.112 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ccc(C(F)(F)F)cc4)c1)[C@@H](C2)C3=O 587418876 BJGMFDYVSRLLOD-CVDCTZTESA-N 410.391 5.870 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccc(Cl)cc4)cc1)[C@@H](C2)C3=O 587419891 FTSKFOGHZIFXRN-RDPSFJRHSA-N 406.865 5.416 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccccc1Cl)(c1ccccc1OC)[C@@H](C2)C3=O 587422217 XNWXPZSUFGAQHE-UUOWRZLLSA-N 406.865 5.048 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1cnc4ccccc4c1)[C@@H](C2)C3=O 587429477 UXHPEOOHBLJLDO-HFZDXXHNSA-N 411.432 5.074 0 1 HKAF COc1cc2c3c(c1)O[C@]1([C@H](c4ccccc4)CCC[C@@H]1c1ccccc1)[C@@H](C2)C3=O 587447409 RMRUIJCPSIOQMN-IMBSWCNGSA-N 410.513 5.933 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1C(F)(F)F 587544469 DZLIWDOEOFGJQY-YLJYHZDGSA-N 404.315 5.253 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccn(-c2ccccc2F)c1 587568429 LTKJKCAMHXCJRN-URXFXBBRSA-N 401.393 5.025 0 1 HKAF CCCc1ccc([C@@]2(C(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587599534 GMSMYGBFRHFFHH-ZEQKJWHPSA-N 402.490 5.858 0 1 HKAF CC(C)(O)CCCC1=CC[C@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587612413 UYSVOSKXDCJWBS-QRJOEMBSSA-N 422.521 5.390 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(F)c3)c(C(=O)c3cc(C)ccc3O)c2c1 587640997 HXVZVDPVMLTXTM-INIZCTEOSA-N 401.481 6.733 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C(\Cl)c2ccc(Cl)cc2)N1 587694851 AQGPJYQKJFGIIJ-JJFVADNSSA-N 415.133 6.097 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(F)cc3)s2)N1 587732886 KTEOITMMVDNGTG-PRWKNARSSA-N 420.322 6.079 0 1 HKAF CCOc1cc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)ccc1C 587778162 KKROVOOOIRPHBY-UHFFFAOYSA-N 403.320 5.734 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccccc3)o2)N1 587842472 FLMFLBPGEXCOMQ-ODXCJYRJSA-N 418.331 5.956 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N)cc2)(c2cccs2)N1 587854992 VAIQUWDYPLVBAV-FKIZINRSSA-N 417.347 5.058 0 1 HKAF Fc1ccc2c(c1)-c1cc(n(-c3nc(-c4ccc(Br)cc4)cs3)n1)O2 587877093 YQBWOCVIWPRVLO-UHFFFAOYSA-N 414.259 5.670 0 1 HKAF COc1ccc(-c2cccc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)c2C)c(OC)c1 587930961 YAAQUERVTSISSF-UHFFFAOYSA-N 406.413 5.060 0 1 HKAF O=C(O)CCCCCCCCCCCCc1nc2cncc(Br)c2[nH]1 587956736 LFWSAZZWMUWERH-UHFFFAOYSA-N 410.356 5.639 0 1 HKAF CC[C@@]1(Cc2nc3c(Cl)c(Br)cnc3[nH]2)CC(=O)c2ccccc2C1 587960822 NTFXQZAVDFRIEV-IBGZPJMESA-N 418.722 5.142 0 1 HKAF CC[C@@H](c1ccc(OC)cc1OC)[C@@]1(CC)NCCc2cc(-c3ccccc3)ccc21 962667906 WYJCOPFDMGDKCO-LBNVMWSVSA-N 415.577 6.316 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(Cl)nc2)(c2ccc(C)c(C)c2)N1 962955367 SASKXAJRSDVTKU-IBVKSMDESA-N 415.968 6.049 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@]21C=CC(c2ccccc2)(c2ccccc2)CC1 963116348 WNWINJGESBQKJZ-GGXMVOPNSA-N 409.548 6.378 0 1 HKAF COc1cc2nccc(Oc3ccc(NC(=O)CC4CCCCC4)cc3)c2cc1OC 1857594556 LLUKLMVIPUBRBO-UHFFFAOYSA-N 420.509 5.953 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1C(=O)CC[C@]2(C)[C@H]([C@H](C)C=C[C@@H](C)C(C)C)CC[C@H]12 2356501023 LAFDOVHKCATTMZ-ACXOGPKWSA-N 410.642 7.129 0 1 HKAF COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3)c1)CC2 601840 QAHSLFRXUDDOIA-UHFFFAOYSA-N 413.399 5.371 0 1 HKAF Clc1ccc2c(NCCCCCCCCCCN3CCCCC3)ccnc2c1 13472670 HBQMAHGGHPNVQS-UHFFFAOYSA-N 402.026 6.907 0 1 HKAF Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(CCc2cccnc2)CC1 13738233 MXIBLISOEJHEAQ-UHFFFAOYSA-N 415.968 5.369 0 1 HKAF CC[C@H](C)N(C(=O)NS(=O)(=O)Oc1c(C(C)C)cccc1C(C)C)[C@@H](C)CC 13747443 KBGUQZQTWFNGBK-IRXDYDNUSA-N 412.596 5.166 0 1 HKAF Cc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)N23)c1 16042936 LGUNDKIDZSDIJC-NOZRDPDXSA-N 421.500 5.268 0 1 HKAF biogenic N=C(N)CCCC[C@H]1C(=O)O[C@H]2Cc3cc(-c4cccc(-c5ccccc5)c4)ccc3[C@@H]21 27432289 IZDFKJCMUYOBRB-CMTIAEDTSA-N 424.544 5.698 0 1 HKAF CC(C)CC(=O)Nc1cccc(-c2cccc3c(C(=O)c4cccs4)cnn23)c1 28819330 WHKUYYLRWQUBNC-UHFFFAOYSA-N 403.507 5.278 0 1 HKAF CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1C[C@H]2O[C@]23C2=CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]2CC[C@]13C 28972558 NMGBSMCZPMYTKL-DBRZCXIFSA-N 424.625 5.929 0 1 HKAF CCCn1nc(-c2ccc(C)cc2)c2c1/C(=C/c1ccc(C)cc1)CS(=O)(=O)C2 29306368 SXDVOEBBVKZOBL-KGENOOAVSA-N 406.551 5.046 0 1 HKAF COC(=O)[C@H](Oc1ccc(F)cc1)c1ccc(Oc2cccc(C(F)(F)F)c2)cc1 39242746 JWRBAGIWGHIPEJ-HXUWFJFHSA-N 420.358 5.930 0 1 HKAF Oc1cccc(C2=Nc3ccccc3S[C@@H](c3ccc(Br)s3)C2)c1 40428946 ZQIZJSASGVWBJK-GOSISDBHSA-N 416.365 6.574 0 1 HKAF CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N(C)c1ccccc1C 40934309 RDNBSCGXQIOVJZ-VWLOTQADSA-N 414.593 6.704 0 1 HKAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@@H](C)CCCC(C)C)c2)[nH]1 40934949 HOKNJZWOUSWNLR-INIZCTEOSA-N 412.578 6.626 0 1 HKAF CN(C)C12CCNC([C@H](c3cccc4ccccc34)C1)[C@@H](c1cccc3ccccc13)C2 40938309 ITBUBVSCPRMUAT-WNUBJLNHSA-N 420.600 6.317 0 1 HKAF CC(C)(C)N1CCc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O 40938611 VFIZIOKGQULDPV-UHFFFAOYSA-N 414.336 5.643 0 1 HKAF CCOC(=O)c1c(Cc2ccc(C(F)(F)F)cc2)[nH]c2c1cc(O)c1ccccc12 40943443 PSMJNZFBWSXVSC-UHFFFAOYSA-N 413.395 5.813 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(O)cc2O)C(C)(C)CCC1 40980466 RVXANUQPFMAQEZ-HPWKXKAUSA-N 407.554 6.568 0 1 HKAF CC(C)(C)S[C@@H]([C@H](OCc1ccccc1)c1ccc(Cl)cc1)n1ccnc1 45358704 LINMDIHWXVNQQT-RTWAWAEBSA-N 400.975 6.525 0 1 HKAF CC(C)=CCC[C@@]1(C)CCC[C@@]2(C)[C@@H](Cc3cc(C(=O)O)ccc3O)C(C)=CC[C@H]12 49802991 IIMZFSAVKIVVHG-JIWYJQEDSA-N 410.598 7.158 0 1 HKAF in-vivo O=C(O)CCc1nn(Cc2ccc(Cl)cc2Cl)c2cc(C(F)(F)F)ccc12 66065951 OMVYOEVUBVQVKZ-UHFFFAOYSA-N 417.214 5.427 0 1 HKAF C1=Cc2c(c3ccccc3n2Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)CC1 70718902 APVHAFGOLDTMQH-UHFFFAOYSA-N 403.489 5.496 0 1 HKAF c1nc(NC2CCCCCC2)c2nc(-c3ccsc3)n(CCN3CCCCC3)c2n1 82189834 HSVABBCWNLHYSI-UHFFFAOYSA-N 424.618 5.175 0 1 HKAF NCc1ccc(CNC(=O)[C@H](Cc2ccccc2)c2ccc(-c3ccccc3)cc2)cc1 95580957 HSGKBGCFILFOAC-MUUNZHRXSA-N 420.556 5.455 0 1 HKAF Cc1ccc2[nH]c(-c3ccccc3)c([C@@H]3C=C(c4ccccc4)Oc4[nH]nc(N)c43)c2c1 95602533 GESRWCCZRNVZQP-FQEVSTJZSA-N 418.500 6.014 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2ccc3c(c2)OCO3)C[C@@H](c2cccs2)C1 103971054 SCYAEIROVFUQQK-MYYSRTQBSA-N 416.502 6.106 0 1 HKAF C[C@@H]1C[C@H](c2ccccc2-c2ccccc2)N(Cc2cccc(-c3ccccc3)c2)C1=O 167073349 VRFHKAPZPRAWKA-KPURRNSFSA-N 417.552 7.130 0 1 HKAF CCCCN(CCCC)C[C@H](O)c1cc(Cl)c2nc(-c3ccccc3)ccc2c1 169337320 MRKXLFWPOFMERP-DEOSSOPVSA-N 410.989 6.491 0 1 HKAF CC[C@H](Oc1ccc(Br)cc1)c1nnc(Nc2ccc(Cl)cc2)o1 169553365 LPRZNPSHGSXUER-HNNXBMFYSA-N 408.683 5.759 0 1 HKAF c1ccc(CN2[C@@H](c3ccccc3)C3=C(NO[C@@H]3c3ccco3)[C@H]3CCCC[C@@H]32)cc1 195495965 DGPSOURKQBTBED-RGXZNCPUSA-N 412.533 5.926 0 1 HKAF CC(C)(NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1ccccc1 198390882 SJCBETLHYFGQOI-UHFFFAOYSA-N 404.460 5.633 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]1[C@H](C)C[C@H]1[C@@H]2CC=C2C[C@@H](O)CC[C@@]21C)C(C)C 255280249 XEEOCMDRLJGHAY-VLIBFKJESA-N 414.718 7.881 0 1 HKAF O=C(NC[C@@H](c1ccccc1)n1ccnc1)c1ccc(/C=C/c2ccc(F)cc2)cc1 299829473 KWCRIIZRUZOWER-NPJCXYKHSA-N 411.480 5.212 0 1 HKAF COc1c(C)cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1Cl 586986402 RIIROWGFWFPFHF-UHFFFAOYSA-N 401.849 5.789 0 1 HKAF COc1c(Cl)cc(Cl)cc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586993441 MHIFTJQMDUSJEC-UHFFFAOYSA-N 420.295 6.737 0 1 HKAF Clc1cccnc1-c1nc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cs1 587017882 SAJOAIYAZFUKCW-UHFFFAOYSA-N 418.909 5.981 0 1 HKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587044609 IGAVAZIOANCWHN-UHFFFAOYSA-N 409.166 5.712 0 1 HKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4c(Br)ccnc4[nH]3)c2)cc1 587067736 NDJCUSMAPRDCAP-UHFFFAOYSA-N 414.690 5.200 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cccc(OC)c4[nH]3)c(Cl)cc12 587078458 RTBZVQFGTROIMC-LBPRGKRZSA-N 412.873 5.424 0 1 HKAF C/C=C\C[C@@H]1Cc2nc3c(C)ccc4c3c(c2[C@H]1CC(=O)OC)-c1ccccc1C4=O 587097889 ORWGZDNAVXGBAS-WZVDUCDXSA-N 411.501 5.540 0 1 HKAF O=C1c2ccccc2-c2cc(/C=C/c3ccc(C(F)(F)F)cc3)nc3cccc1c23 587103237 IZLCXIGTWGEIMY-JLHYYAGUSA-N 401.387 6.635 0 1 HKAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)n1 587119927 YWWZERAXBWODKG-UHFFFAOYSA-N 408.733 5.376 0 1 HKAF CCCCCOc1cc2nc([C@@H](C)Oc3ccc(F)cc3)[nH]c2cc1Br 587168673 KVZRKYXDEVDYFK-CYBMUJFWSA-N 421.310 6.174 0 1 HKAF Cc1ccc2c(ccc3nc(-c4cn(C5CC5)c5cc(F)c(F)cc5c4=O)[nH]c32)n1 587173500 XPULWNQRWILXLF-UHFFFAOYSA-N 402.404 5.015 0 1 HKAF C[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326184 BAVVMBBTTAZGNN-RBBKRZOGSA-N 416.370 5.824 0 1 HKAF C[C@]1(c2ccc(OCCCF)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329101 CSJHFWRQMDNJEK-UKILVPOCSA-N 424.443 5.544 0 1 HKAF C[C@]1(c2ccc(-n3cccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343792 VIMFNAALOZUXTD-AZGAKELHSA-N 413.448 5.596 0 1 HKAF CCCOc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587351820 VIWIKYORMLFNRX-UKILVPOCSA-N 406.453 5.594 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccc(F)c(C)c3)cc1)CC2=O 587465852 HYHUMNBXIOQHSO-SANMLTNESA-N 404.481 6.340 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](c2ccccc2O)Oc2ccccc21 587485785 JXHSFZHUBCFMPF-RSXGOPAZSA-N 416.473 5.435 0 1 HKAF C[C@]1(c2cc(Br)ccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587506568 YWUZXPPKLRSBJV-HXUWFJFHSA-N 405.719 5.862 0 1 HKAF O=C1C[C@H](c2ccc(-c3cc(C(F)(F)F)ccn3)cc2)Oc2c1ccc1c2CCCC1 587506675 KYAMZMXPOSLZCH-HSZRJFAPSA-N 423.434 6.353 0 1 HKAF C[C@]1(c2ccc(OC3CCCCC3)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587506855 QFIUBZCGKFCPEN-AREMUKBSSA-N 408.513 6.297 0 1 HKAF O=C1C[C@@H](c2cc(F)ccc2Oc2ccc(F)cc2F)Oc2c1ccc1c2CCCC1 587509531 ZOOMMAGLCUDQCK-DEOSSOPVSA-N 424.418 6.482 0 1 HKAF CCOC(=O)[C@@H]1CC[C@H](c2ccccc2)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522224 GEYIKRRAWUEVOD-TVZXLZGTSA-N 404.506 5.026 0 1 HKAF COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522244 DXQKGIURRDESDI-VWLOTQADSA-N 423.512 6.429 0 1 HKAF Cc1sc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br 587612566 JTQXPSHGNOODMS-QFBILLFUSA-N 417.280 5.228 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncc(Cl)cc1Cl 587653056 BVIWQKMYGRHQSH-UHFFFAOYSA-N 404.203 5.033 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(C(F)(F)F)c2)N1 587709861 BMHIROTVCFFRCM-DYZYQPBXSA-N 402.229 5.405 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(OC(F)(F)F)c2)N1 587715441 BWTDFEJOUJWFPW-BCTVWOGZSA-N 422.191 5.250 0 1 HKAF CCn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(OC)ccc21 587759833 WAPDASJRHLUFAO-XUSGNXJCSA-N 417.322 5.195 0 1 HKAF Nc1cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2cc1N 587783660 DPINNDVHCJXNSP-UHFFFAOYSA-N 420.516 5.564 0 1 HKAF CCCCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587790013 DQRZQKXIIPWVHP-YEJXKQKISA-N 422.338 5.399 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2nccs2)N1 587853454 NFUYAMVZKPABSW-ADLMAVQZSA-N 403.320 5.335 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1cccc(Cl)c1 587861249 PAGOMUDFTWPMLO-GFCCVEGCSA-N 424.806 5.339 0 1 HKAF CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1NCc1ccccc1Br 587939413 CGRXJJGXIVDYSI-UHFFFAOYSA-N 415.331 5.544 0 1 HKAF COC(=O)c1cc2nc([C@@H]3CC[C@@H](C(C)(C)C)C3)[nH]c2c(F)c1Nc1ccccc1 587969358 NNFAEZZYUZKGTL-HUUCEWRRSA-N 409.505 6.162 0 1 HKAF CC(C)Cc1ccc([C@H](C)C(=O)NCCCC(=O)Nc2ccccc2Cl)cc1 653779471 RNGDVTUWDBNXMV-KRWDZBQOSA-N 400.950 5.177 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 685935936 SGNBVLSWZMBQTH-RRQJINPDSA-N 400.691 7.635 0 1 HKAF biogenic,in-vitro COc1ccccc1[C@@]1(c2cccc(C(F)(F)F)c2)NCCc2ccc(F)c(C)c21 962297047 HYBLVAURPCTUPF-HSZRJFAPSA-N 415.430 5.599 0 1 HKAF C[C@]1(c2c(F)cc(C(F)(F)F)cc2F)NCCc2cccc(-c3ccccc3)c21 962672085 VRDWZTSSIDRZFH-QFIPXVFZSA-N 403.394 6.060 0 1 HKAF FC(F)(F)c1ccccc1NCc1ccc(CNc2ccccc2C(F)(F)F)o1 1857601574 PCHZYOCKWGBYHL-UHFFFAOYSA-N 414.349 6.541 0 1 HKAF C[C@H](CCCO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 1857639167 SAIMVUYNFPDLKC-JHVDPWIRSA-N 402.663 6.505 0 1 HKAF O=C(c1cc(Cl)cc(Cl)c1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 1857640695 YXQOJLIQCWSJBZ-AXNOTKAXSA-N 405.369 5.029 0 1 HKAF Cc1[nH]nc2c1[C@@H](c1ccc(-c3ccccc3)cc1)c1c(nc3c(c1N)CCCC3)O2 1857750667 XYIWAZKLIBEGKS-JOCHJYFZSA-N 408.505 5.527 0 1 HKAF CC1=C[C@H](CNCc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 2356301727 CTDZLRSFKCRXKA-VXNXHJTFSA-N 416.569 5.319 0 1 HKAF CC(C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4[C@H](CC[C@@H]5C(C)(C)C(=O)CC[C@]45C)[C@@]3(C)CC[C@]12C 2356488572 SGRIUEWFBPMBQH-ANALCGTKSA-N 410.686 7.843 0 1 HKAF CCOC(=O)[C@H](C)CC[C@@H]1[C@H](C)C(=O)C[C@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]12C 2356614595 AOEYJVULCDXRBE-ADHAWKORSA-N 404.635 6.440 0 1 HKAF CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)CC[C@]1(C)CC[C@@H](C)C(=O)[C@@H]1C 2356696977 BXLHDWDVXHKFER-KKAKJJSRSA-N 406.950 5.783 0 1 HKAF CC[C@H](C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 2356747513 ATHNEOVVWTUWBM-SNJFPABVSA-N 414.718 7.881 0 1 HKAF CC(C)=CCC[C@H](C)C[C@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@H](c2ccc(Cl)cc2)O1 95566378 AUYOLMPSHYERBZ-VHFSOBRXSA-N 418.990 5.889 0 3 HKAF O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2cccc(C(F)(F)F)c2)N1c1ccccc1 199730064 JPNXTBQJMDZZBL-QFIPXVFZSA-N 419.406 5.845 0 3 HKAF CC(C)[C@H](C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(F)cc1Cl 2480184 CVZYSYGPVFFACT-LBPRGKRZSA-N 404.844 5.715 0 1 HKAF C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCCN5CCCC5)CC[C@]4(C)[C@@H]3CC[C@@]21C 5845006 PDWOMRLKPDZJKU-CIIBVRMCSA-N 414.634 5.169 0 1 HKAF Cc1ccc(-c2nc(-c3cc4cccc(OCc5cccc(C)c5)c4oc3=O)no2)cc1 8592655 NNGMCEICZYAYLX-UHFFFAOYSA-N 424.456 5.706 0 1 HKAF aggregator COc1c(-c2c(C)cc(OC)c3c(OC)cccc23)c(O)cc2c1[C@@H](C)N[C@@H](C)C2 13359041 RPYYNECGOSGRFR-LSDHHAIUSA-N 407.510 5.142 0 1 HKAF biogenic,in-vitro CCCc1cc(C(=O)CC)cc(CCC)c1N[C@@H](C(=O)O)c1ccc(C(C)C)cc1 13646485 DCBJNLJZSGHLEP-RUZDIDTESA-N 409.570 6.546 0 1 HKAF Cc1cc(C)c(NC(=O)C(C)(C)CCCCCCc2ccccc2)c2c1CC(C)(C)O2 13747632 PTXQWOSUGSOBMP-UHFFFAOYSA-N 421.625 7.175 0 1 HKAF COc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(C)(=O)=O)cc2)cc1Cl 13755791 CUIDMPSXUBHFLG-UHFFFAOYSA-N 408.853 5.364 0 1 HKAF CC(=O)CCCCCCCCCC[C@@H]1CC[C@H](OC(=O)c2ccccc2)[C@H](C)N1 14921139 PBWFBFJNCUAIQQ-QTJGBDASSA-N 401.591 5.843 0 1 HKAF biogenic CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)OC3CCCCCC3)CN(C)[C@H]1C2 27520335 MBYARJXYTMMETQ-UCFCWBNQSA-N 408.586 5.448 0 1 HKAF C[C@H](c1ccc(O)cc1Br)[C@@H](C)c1ccc(O)cc1Br 27895422 MYRAVULWQNMPHD-AOOOYVTPSA-N 400.110 5.530 0 1 HKAF CC(C)=CCc1c2c(c3oc(-c4ccc(O)cc4)cc(=O)c3c1O)C=CC(C)(C)O2 34627059 CTDQJDORDWMCLR-UHFFFAOYSA-N 404.462 5.564 0 1 HKAF biogenic COc1cccc(S(=O)(=O)Nc2scc(C)c2-c2nc3ccccc3s2)c1 43015009 WMJKQCWPWLDZAN-UHFFFAOYSA-N 416.549 5.143 0 1 HKAF Cc1[nH]c(C)c(-c2ccc(CCc3cccc(C(F)(F)F)c3)nc2)c(=O)c1Cl 45227953 WTQWKCRZZGEDMM-UHFFFAOYSA-N 406.835 5.511 0 1 HKAF CC1(C)Cc2cccc(CN(C(=O)CF)c3ccccc3Oc3ccccc3)c2O1 72314987 MNKFOIBQMNPRHN-UHFFFAOYSA-N 405.469 5.695 0 1 HKAF FC(F)(F)Oc1cccc(Oc2ccc(Nc3ncnc4cc[nH]c34)cc2Cl)c1 73168124 PEGQWGLLBPWDAS-UHFFFAOYSA-N 420.778 6.046 0 1 HKAF CSc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1 73372814 KOLZFPTWIZMRKQ-UHFFFAOYSA-N 408.910 5.612 0 1 HKAF CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(C)c(C)c2)cs1 82193164 CSNLMWTYVHDLKY-KNQAVFIVSA-N 413.631 5.728 0 1 HKAF C[C@@H]1OC(=O)[C@@H](CCCCCCCCCCCCCc2ccc3c(c2)OCO3)[C@H]1O 85953870 DLBNWYBWBRNHGU-PTLVVNQVSA-N 418.574 5.561 0 1 HKAF CC(=O)N[C@H](C)c1ccc(Nc2ncc3cc(-c4ccncc4)cc(Cl)c3n2)cc1 95588702 RGVHQBDVDQIYNS-CQSZACIVSA-N 417.900 5.286 0 1 HKAF Cc1nc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)oc1C 105199516 CVLUIZGUZHAYNA-VDWZUQCSSA-N 420.532 6.037 0 1 HKAF Oc1ccc(-c2ccc3c(c2)CN2CCC3(c3ccc(Cl)c(Cl)c3)CC2)nn1 114349826 QEQQILAAIUZZEV-UHFFFAOYSA-N 412.320 5.052 0 1 HKAF O=S(=O)(c1ccc(F)c(F)c1)c1cnc2c(F)cccc2c1-c1ccc(F)cc1 115925544 BRBPBGIWVKHCHE-UHFFFAOYSA-N 417.383 5.291 0 1 HKAF CCCCC[C@@H](O)c1cccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OC)c1 117781188 URCNLRMKZKIRKW-DNVJHFABSA-N 402.575 5.877 0 1 HKAF CCCOc1cc2ncnc(Nc3ccc(NC(=O)OCC)c(C)c3)c2cc1OC 169326370 OMBDAHCCGARALH-UHFFFAOYSA-N 410.474 5.048 0 1 HKAF COc1c(-c2ccc(OC)c3c(OC)cc(C)cc23)c(O)cc2c1[C@@H](C)N(C)[C@@H](C)C2 238742355 LJOLOTQJTYGVTJ-JKSUJKDBSA-N 421.537 5.484 0 1 HKAF CCSc1nc(Nc2cccc(F)c2)c2cnn(C[C@@H](C)c3ccccc3)c2n1 299865131 NIAVOXWSIGNJIM-OAHLLOKOSA-N 407.518 5.625 0 1 HKAF CC(C)=CCC[C@@]1(C)CCc2c(CCC(=O)c3ccc(O)cc3O)ccc(O)c2O1 474603986 DHMXSWFQNUAYIP-VWLOTQADSA-N 410.510 5.449 0 1 HKAF OCc1ccccc1-c1cccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 586894930 GZGIDYGIZBLHMJ-UHFFFAOYSA-N 402.803 6.061 0 1 HKAF Brc1cc(/C=C\c2nc3cc4ccccc4cc3[nH]2)cc2c1OCCO2 587000121 GAJKOFRHJFSPSF-WAYWQWQTSA-N 407.267 5.420 0 1 HKAF Cc1nc(C2CC2)sc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587013013 VPSVODMNYXUDIX-UHFFFAOYSA-N 418.238 5.533 0 1 HKAF FC(F)(F)c1nc(Cl)[nH]c2nc(-c3csc(-c4ccc(Cl)cc4)n3)nc1-2 587016174 RAOPOALPOFGKBG-UHFFFAOYSA-N 416.215 5.421 0 1 HKAF O=S(=O)(O)c1ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2c1 587047521 JXBIIYBWNZOFIL-UHFFFAOYSA-N 419.289 5.450 0 1 HKAF COC(=O)c1cccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587071856 SXRWZZWYVQLZIY-JLHYYAGUSA-N 418.880 5.752 0 1 HKAF Clc1ccc(CC/C(=C\c2nc3cc4c(cc3[nH]2)OCO4)c2ccccc2)cc1 587073171 FTUTVFLZZYXEKU-LDADJPATSA-N 402.881 6.118 0 1 HKAF COc1cccc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c12 587086759 LONIRGZEQZBASX-ZHACJKMWSA-N 413.308 5.602 0 1 HKAF FC(F)(F)Sc1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1 587120373 GMPZKEHFEAIUHP-UHFFFAOYSA-N 402.323 5.737 0 1 HKAF CCOc1cc(/C=C\c2nc3cc(-n4cccn4)c(F)cc3[nH]2)ccc1OC(F)F 587130411 LZIQZVJIWLOFTI-ALCCZGGFSA-N 414.387 5.058 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc(F)c(F)c(F)c4[nH]3)cc2F)c1 587143418 RKWINBNNNWHJRN-UHFFFAOYSA-N 406.766 6.115 0 1 HKAF Fc1ccc(-c2ccccc2-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1F 587145655 PEWJXIPQBHBEPO-UHFFFAOYSA-N 406.379 6.787 0 1 HKAF CC(C)(C)c1ccc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2n1 587154006 IUBFXSPHWVAOHI-UHFFFAOYSA-N 418.472 5.079 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(Br)ncc3[nH]2)c1 587196195 SGUZWHRWHMSVIN-UHFFFAOYSA-N 417.307 5.067 0 1 HKAF Clc1ncc(Br)c2nc(-c3cccnc3NCc3ccccc3)[nH]c12 587230391 UIRBIXBDCHVHPN-UHFFFAOYSA-N 414.694 5.048 0 1 HKAF CCCCOc1cc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c2cc1Br 587243580 GPMGVPWIZHGVCW-KTKRTIGZSA-N 414.303 5.156 0 1 HKAF C[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(F)ccc2O1 587330832 FZXSKVMWOQJZRZ-LKEWYZSESA-N 408.400 5.096 0 1 HKAF COc1cccc(-c2cc(-c3cc(F)cc(F)c3O)nc3c2oc2ccccc23)c1 587360928 USISZZJMIQEAPN-UHFFFAOYSA-N 403.384 6.307 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2Sc2ccc(C(C)C)cc21 587412823 CMPQIKSPVAOIDJ-RUZDIDTESA-N 401.531 6.074 0 1 HKAF COc1ccc([C@@]2(Cc3ccc(Cl)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587422942 RMEUXSYBYXPFGP-PXDATVDWSA-N 420.892 5.243 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)Cc1cc(C(C)=O)ccc1-4)[C@@H](C2)C3=O 587446608 ZWVIMJIPULEHQB-WNCULLNHSA-N 410.469 5.132 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc(Cl)cc1Cl)CC2=O 587463409 WPOLCCXGPRPCRK-OAQYLSRUSA-N 416.304 6.149 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(C=C(C(F)(F)F)Oc3cc(OC)ccc31)CC2=O 587464172 KJGXOUKQXWPLFZ-NRFANRHFSA-N 420.383 5.053 0 1 HKAF CCOC(=O)[C@@H](Cc1ccccc1C)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525094 PTHORRKVKBMZPO-ATIYNZHBSA-N 406.522 5.020 0 1 HKAF O=C1CCc2cc([C@@]3(c4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2N1 587525438 NBYVXNLLZNJFEW-NDEPHWFRSA-N 423.512 5.359 0 1 HKAF O=C(CC[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3)c1cccs1 587529664 AQOLQTSYZKPLLF-XMMPIXPASA-N 422.571 6.212 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c1sc1ccccc12 587616112 BMLWFWKCDPFUIP-RCZVLFRGSA-N 424.477 6.463 0 1 HKAF Cc1nc2c(Cl)cccc2c(Cl)c1Cc1c(C)[nH]c2c(C)cc(Cl)cc12 587623974 CPZNEPOHIUNLID-UHFFFAOYSA-N 403.740 7.192 0 1 HKAF Cc1cc(Cl)cc2c(-c3ccccc3F)c(-c3ccccc3Br)[nH]c12 587624175 FOXYAVIOMFLKDA-UHFFFAOYSA-N 414.705 7.365 0 1 HKAF Cc1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587676816 FWUXIUSRLRACFX-BTDLBPIBSA-N 413.128 5.283 0 1 HKAF CC[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587692660 HRFGNPLQMLYVFW-MGNBDDOMSA-N 417.149 6.083 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2Cl)(C2CCCC2)N1 587693890 FXDMNEKZAZOMHQ-ASSNKEHSSA-N 422.769 6.210 0 1 HKAF CC[C@]1(c2cc(Cl)ccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587694323 HBFQJBLYRQBQJG-WYRIXSBYSA-N 412.730 5.438 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccccc3Cl)CC2)N1 587694396 HOTMJPANLZEYFE-CYBMUJFWSA-N 423.757 5.272 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2ccc(Cl)cc2)N1 587700204 LYMRMWQXMHHHMT-JEOXALJRSA-N 410.714 5.264 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2F)(C(F)(F)F)N1 587707069 SKVVHTOVYGDKQE-FVMDXXJSSA-N 406.192 5.067 0 1 HKAF CC[C@@]1(c2ccccc2C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587711008 IOIMAPHVCLVCPX-VOJFVSQTSA-N 416.256 5.795 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2cccc(C(F)(F)F)c2)N1 587711510 HHVKUHLTQKTXMS-ZBEGNZNMSA-N 416.256 5.815 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)(F)F)cc2Cl)N1 587713127 RQWHEVSMMVOCBG-VPTHRUTESA-N 422.647 5.884 0 1 HKAF Cc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC(F)F 587714046 FTDDICWVRMDRRX-MGPLVRAMSA-N 400.238 5.122 0 1 HKAF CCC[C@H](CC1(c2nc3cc(C)cc(F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781673 MLBMYKVFNFWYKR-HXUWFJFHSA-N 422.544 6.372 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C(=O)C3CCCC3)c2)N1 587822081 ZPENPVFROGACFY-LRTDBIEQSA-N 416.334 5.585 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccsc3)n2)N1 587852786 IXIQWHYSRRSVBY-WLRWDXFRSA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc(F)cc1 587855186 LNNUSZXAMWAFOB-GFCCVEGCSA-N 423.271 5.502 0 1 HKAF COc1ccccc1-c1ccc(-c2nc3c(C)c(C)c(Br)cc3[nH]2)cc1 587931576 KMOGMAZLCRKUGF-UHFFFAOYSA-N 407.311 6.285 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cncc(C)c2[nH]1 587961589 UTGOSVVVLBCBBO-XKPMTSFDSA-N 417.641 8.121 0 1 HKAF C[C@H](c1cccc(Br)c1)[C@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962706712 OCIGYZKDVHFFMR-ZVGUJKQYSA-N 420.391 5.797 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2sc(-c3ccc(Cl)cc3)nc2C)N1 962959940 RKNKJIWNCFTGGK-OSPHWJPCSA-N 421.997 6.441 0 1 HKAF Cc1sc2c(c1C)CCN[C@@]2(Cc1sccc1Br)c1ccco1 963009783 DIQOZDBZPXLFPK-SFHVURJKSA-N 408.386 5.414 0 1 HKAF O=C(Nc1nc(-c2ccccc2)cn2cc(-c3ccccc3)nc12)c1ccc(Cl)cc1 1772656340 UURFRYXFMZZEEU-UHFFFAOYSA-N 424.891 5.969 0 1 HKAF CC=C(C=C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)(C)C 2356420161 QKWKXWPDGRSAGC-FUERFDGUSA-N 424.713 8.111 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C 2356469334 JJJSDRCOEVDSMV-IJZKFBQRSA-N 402.663 6.504 0 1 HKAF COc1cc(O)c2c(c1CC=C(C)CCC=C(C)C)O[C@@H](c1ccccc1)CC2=O 2356522503 JNZJOLYHTZUUIO-HSZRJFAPSA-N 406.522 6.343 0 1 HKAF CC(=CCc1cc(C(=O)O)ccc1O)CCC1=C(C)CC[C@@H]2C(C)(C)CCC[C@]12C 2356600621 RIYHRKNIDKXDII-SHQCIBLASA-N 410.598 7.302 0 1 HKAF CC=C(CC[C@@H](C)[C@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1)C(C)C 2356615454 GZZSNPZMOGPILP-VLANABBLSA-N 412.702 7.945 0 1 HKAF CCC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@H]3CC[C@@]12C)C(C)C 2356645349 MVTBWZPAISRVGC-BWNUKYQESA-N 416.734 8.105 0 1 HKAF CC[C@@H](C)NC(=O)C=CC=CCCCCCCC=CCCc1ccc2c(c1)OCO2 2356725282 CILZQJJRCOHAIW-JOCHJYFZSA-N 411.586 6.272 0 1 HKAF O=C1Sc2cc3ccccc3cc2C(=O)Sc2ccc(Br)cc21 1656609 JTYVTRAPVMKCDP-UHFFFAOYSA-N 401.306 5.781 0 1 HKAF C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 2114366 VCYNHQOAZQMPOJ-NVSURVLOSA-N 413.646 5.575 0 1 HKAF in-man C[C@H]([C@H](O)CCC(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 5763269 SWBPHHNEYRLOHW-ARFWMBSVSA-N 416.690 6.750 0 1 HKAF COc1cc(O)c(C)c(O)c1C(=O)[C@H]1CC(CCC=C(C)C)=CC[C@H]1c1ccccc1 13410495 JOEBLRXPBOSMJF-VXKWHMMOSA-N 420.549 6.464 0 1 HKAF biogenic Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H](NC(=O)Nc3ccc(C)cc3C)C2)c(C)c1 13493806 MHRXAZDZTYHCPR-WOJBJXKFSA-N 408.546 5.175 0 1 HKAF Cc1cc(S(=O)(=O)Nc2cc(-c3ccccc3)sc2C(=O)O)c(C)cc1Cl 13589561 BHKHERHIEAOOFN-UHFFFAOYSA-N 421.927 5.184 0 1 HKAF O=C(O)CC/C=C\C[C@H]1CO[C@@H](c2ccc3ccccc3c2)O[C@@H]1c1cccnc1 27736213 QILXQJUTHTWRNC-HFNZDPDSSA-N 403.478 5.449 0 1 HKAF O=C(c1cn(CCC2CCCCC2)c2ccccc2c1=O)c1cccc2ccccc12 28864823 BXMADDLHAXPJCL-UHFFFAOYSA-N 409.529 6.356 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)CCC1 29565306 XILISIALPJYAMY-NYIXRIPJSA-N 413.602 6.134 0 1 HKAF CC(C)=CCC/C(C)=C/COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O 38167682 WTJXQLRTGAFRSC-HZUJZGFBSA-N 408.494 5.876 0 1 HKAF O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccc(Cl)cc1 43009303 LJZSUZQHAYJIQU-UHFFFAOYSA-N 406.941 5.479 0 1 HKAF CC(C)[C@H](C)NC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 45384182 OZOLATJLKZOQSB-PLECOZGJSA-N 401.679 6.197 0 1 HKAF Oc1ccc2oc3ncc(OCc4cccc(Cl)c4)c(-c4ccccc4)c3c2c1 49808132 VYBPUFXYSZLZPR-UHFFFAOYSA-N 401.849 6.586 0 1 HKAF Cc1cc2c3cccc(Cl)c3nc(CSc3nc(-c4ccccc4)cn3C)n2n1 66262559 ZTWVDNSRUWWWDH-UHFFFAOYSA-N 419.941 5.537 0 1 HKAF Cc1cn(-c2ccc(Nc3nc4c(s3)CCC[C@@H]4c3ccccc3)cc2F)cn1 73196301 QYUHVBYDLCRTAW-GOSISDBHSA-N 404.514 5.988 0 1 HKAF CCCC[C@H](c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)N1CCC[C@@H]1C 73221215 ZGPMBWMVYGOTRT-NEKDWFFYSA-N 404.642 7.055 0 1 HKAF O=C(NC1CCCCC1)[C@@H]1CCCN1c1nc(-c2ccc3ccccc3c2)cs1 82191997 VGLBZXMVUJOCMZ-QFIPXVFZSA-N 405.567 5.381 0 1 HKAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NC3CCCC3)nc2-c2ccc(F)cc2)C1 82214939 DACUOGHOLBNXMW-IAGOWNOFSA-N 410.537 5.288 0 1 HKAF COc1ccc(C2=NN[C@@H](c3c(C)nn(-c4ccccc4)c3-c3ccccc3)C2)cc1 103171879 ZWMJSPJPBPRXOF-XMMPIXPASA-N 408.505 5.295 0 1 HKAF Cc1cc(C)c2nc(Nc3ccc(Cl)cc3)cc([C@H](O)C[C@@H]3CCCCN3)c2c1 169334712 XIFOSPUAUSCZBL-SIKLNZKXSA-N 409.961 5.814 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@H]1c1ccc(-c2ccccc2)cc1 169728413 CFZAGKUIJPWFLD-BJKOFHAPSA-N 401.506 5.344 0 1 HKAF O=C1N=C2/C(=C/c3cccc4ccccc34)CNC[C@H]2[C@@H](c2cccc3ccccc23)N1 169729984 PDBATHWNPGJGIP-UBHCGMKQSA-N 417.512 5.501 0 1 HKAF C[C@H]1CC[C@]2(NC1)O[C@@H]1C[C@@H]3C(=CC[C@H]4[C@H]3CC=C3C[C@@H](O)CC[C@@]34C)[C@]1(C)[C@@H]2C 255280774 XLQGICHHYYWYIU-WHNQNWTDSA-N 411.630 5.207 0 1 HKAF CCc1[nH]c2cc(C)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1 299839856 TVSACSZJCZUBIY-UHFFFAOYSA-N 410.602 6.540 0 1 HKAF O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cnncc6[nH]5)c34)c12 586884262 RQKYLJDHILCYOF-UHFFFAOYSA-N 416.440 5.692 0 1 HKAF CCCCC1CCC(c2nc3c(Br)ccc(Br)c3[nH]2)CC1 586885970 ASAVFMRXMRDKQL-UHFFFAOYSA-N 414.185 6.552 0 1 HKAF Oc1ccc(-c2ccccc2-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 586898048 FZPZZEPOUNIRJQ-UHFFFAOYSA-N 419.509 6.879 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(N4CCCCC4)c(F)c3)nc3ccc(O)c1c23 586986336 LETFSODMHMDEJQ-UHFFFAOYSA-N 424.475 5.948 0 1 HKAF Cc1ccc2c3c(cc(-c4c(F)c(F)c(F)c(F)c4F)nc13)-c1ccccc1C2=O 586996868 UQZIZDTXUAVVOA-UHFFFAOYSA-N 411.329 6.117 0 1 HKAF Cc1ccc(-c2nc(-c3nc4cc(F)cc(Br)c4[nH]3)c(C)s2)cc1 587013469 OVTIMEPXJJOCFJ-UHFFFAOYSA-N 402.292 5.872 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4c(Cl)nc(Cl)cc4[nH]3)cc2)n1 587020217 IGDDWTRVDOJBOG-UHFFFAOYSA-N 407.351 5.989 0 1 HKAF CCCCCOc1cc2nc(-c3cnc([C@H](C)O)s3)[nH]c2cc1Br 587021757 KTJUUWQNEOTWCU-JTQLQIEISA-N 410.337 5.071 0 1 HKAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587042376 IYDBNCVBCLUHKV-CYBMUJFWSA-N 415.799 5.030 0 1 HKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(Br)cc(F)c2[nH]1 587044610 IGIMMULMYNSSHJ-UHFFFAOYSA-N 420.065 5.456 0 1 HKAF CCc1cc(OCc2nc3cc(OC(C)C)c(Br)cc3[nH]2)ccc1Cl 587052967 VVMWZJKQHKCCQK-UHFFFAOYSA-N 423.738 5.907 0 1 HKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cccc(C(=O)O)c2[nH]1 587069127 CKVMQPCMZBILDB-YLJPPSQVSA-N 401.293 5.934 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 587077764 ZOLVYIZQUYNKCE-UHFFFAOYSA-N 415.722 5.757 0 1 HKAF Cc1ccc2c3c(cc(-c4cnn(-c5ccccc5)c4C)nc13)-c1ccccc1C2=O 587096305 GYWKYGHLNLXDNS-UHFFFAOYSA-N 401.469 5.916 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc(-c4ccc(Cl)cc4)no3)nc3cccc1c23 587103694 JTYLWZKOYTZFIV-UHFFFAOYSA-N 408.844 6.422 0 1 HKAF Fc1ccc(-n2nnc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c2C2CC2)cc1 587169179 WNAUMQZCURNJIV-UHFFFAOYSA-N 419.407 5.439 0 1 HKAF C[C@@]1(c2cccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338304 WOBIKRTVJSTLLL-UGKGYDQZSA-N 400.808 5.598 0 1 HKAF COc1cccc(-c2cc(-c3ccc4cnn(C)c4c3)nc3c2oc2ccccc23)c1 587362491 GETMAMYNPKIMKS-UHFFFAOYSA-N 405.457 6.210 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCc3sc4ccccc4c32)[C@H]1c1ccc(F)cc1 587373632 MJMYXLPXVYNRAM-WIOPSUGQSA-N 416.473 5.947 0 1 HKAF COC(=O)c1ccc(F)c(-c2cccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)c1 587381351 HUVCZMFPAYZQBF-RUZDIDTESA-N 419.452 5.051 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(F)cccc1O[C@@H](C)c1ccccc1)O2 587382407 QWUGTDIYSKCABU-IVCQMTBJSA-N 405.469 5.737 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1cccc(Cl)c1Cl)CC2=O 587463495 XODUHPMVDKSAAF-HXUWFJFHSA-N 416.304 6.149 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(C)cc3)[nH]c3ccccc13)CC2=O 587486461 UGHGNLAULSWZLZ-DEOSSOPVSA-N 411.501 6.508 0 1 HKAF O=C(O)c1ccccc1C[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587528859 FMLFFNVPYWFOOP-MHZLTWQESA-N 412.485 5.367 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(c1ccsc1)c1ccsc1 587617861 LIGBGNABMLKGRS-LJQANCHMSA-N 406.484 5.421 0 1 HKAF CCOC(=O)c1ncn(-c2c(-c3ccc(Cl)cc3)[nH]c3ccc(F)c(Cl)c23)n1 587628877 SUUUAONMTBVNES-UHFFFAOYSA-N 419.243 5.038 0 1 HKAF Cc1cccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587709878 OKUOTYSUYIUQFI-PIGZYNQJSA-N 402.229 5.237 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3[nH]c4ccc(F)cc4c32)N1 587727032 BGCKZWZWMSFXHG-WIUDPPPLSA-N 417.297 5.323 0 1 HKAF CCc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587756980 UAAWBJSPHPRRIJ-RCDICMHDSA-N 413.334 5.565 0 1 HKAF Cc1ccc(-c2cnc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1C 587770620 ATILNFWNSLTLFM-ZUOKHONESA-N 415.306 5.484 0 1 HKAF CCC[C@H](CC1(c2nc3cc(C)cnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782735 XGENBYRGYJJXKT-HXUWFJFHSA-N 405.542 5.628 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H]2CCc2ccccc2)N1 587818875 GDTUIVJHGRUHRC-LDJQZATESA-N 402.351 5.751 0 1 HKAF Cc1c(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c(C)c1C=O 587819712 MRURJUDFVUVIFG-LADRHHBVSA-N 404.323 5.258 0 1 HKAF CC(C)c1ccc2c(c1)[C@@]1(CCCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587834876 NAZFLIMCCVARCS-JLCFBVMHSA-N 418.350 5.662 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2SC(C)(C)C)N1 587841067 PGKKXTKOTQAVSV-ASSNKEHSSA-N 422.407 6.277 0 1 HKAF CC(C)Sc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587842762 GEAQNIJYCBRUPK-RBZFPXEDSA-N 408.380 5.886 0 1 HKAF COc1ccc2c(c1)[C@]1(CCCS2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587858244 ZYCSEEPVGFLMRC-FKIZINRSSA-N 422.363 5.261 0 1 HKAF COc1ccccc1-c1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1 587932534 PSNVDFIWLHODFN-UHFFFAOYSA-N 404.469 6.137 0 1 HKAF CN1CCN(c2ccc3nc(/C=C/c4ccccc4Oc4ccccc4)[nH]c3c2)CC1 587950445 QRICLLFWOXDFBS-SDNWHVSQSA-N 410.521 5.277 0 1 HKAF FC(F)(F)c1cc(Br)cc2[nH]c(-c3ccc(OC4CCC4)cc3)nc12 587950641 DWFYGIJVEKFPKG-UHFFFAOYSA-N 411.221 5.943 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ncc[nH]c-2n1 587958161 BESRDIPETVETNQ-UUQHCRCUSA-N 404.602 7.159 0 1 HKAF CC1(C)CCC(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CC1 587961227 DOTGVBOUDBGAFM-UHFFFAOYSA-N 405.258 5.983 0 1 HKAF N=[S@](=O)(O)c1ccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 653701073 NRGGTYRERVLHMN-UHFFFAOYSA-N 410.886 5.572 0 1 HKAF COc1cccc2cc3c(nc12)[C@](C)(COc1ccc(-c2ccc(C)cc2)cc1)NCC3 963050360 CVJNWHLIBHCOOQ-NDEPHWFRSA-N 424.544 5.659 0 1 HKAF CCCCCc1ccc([C@]2(C(F)(F)F)c3ccccc3C[C@@H](C)N2CCC)cc1 963241869 OETHAFVJFIDLAP-NTKDMRAZSA-N 403.532 6.882 0 1 HKAF CCOc1cc(Br)c([C@@H]2NCCc3cccc(Cl)c32)cc1OCC 963390257 HCCATFZNBJYWJF-IBGZPJMESA-N 410.739 5.135 0 1 HKAF CCn1c2ccccc2c2cc(-c3nc4ccc(C(=O)O)cc4n3CCOC)ccc21 1857600716 KJAJSIZBKZMUTG-UHFFFAOYSA-N 413.477 5.176 0 1 HKAF CC[C@@H](Nc1ccc(S(=O)(=O)Nc2nccs2)cc1Cl)c1ccccc1 1857609148 SDPRTZGVTOHKRX-MRXNPFEDSA-N 407.948 5.161 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@@H]1CC3)C(C)C 2356512805 FQJAPGMYXUZOEN-XCWJPTFBSA-N 412.702 7.945 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356517588 NWNQHWKXHQAOFV-OGDVNNLWSA-N 416.690 6.606 0 1 HKAF C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C4=CC[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@H]3[C@@H]12 2356565716 IWLJRULODREZBY-CVVWTHHSSA-N 412.702 7.635 0 1 HKAF CC(C)CC[C@H](O)[C@@H](C)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356574675 IIGMATMTMWUMJV-VJAFWMBVSA-N 418.662 5.330 0 1 HKAF CC1=CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@@H]1C 2356610877 ATTZDMRZTNQQNJ-VDOFDEELSA-N 424.713 7.945 0 1 HKAF CC=C(CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@@]4(C)C3=CC[C@@]21C)C(C)C 2356747749 UZUFWBGYKVBHGD-KMDNXZRHSA-N 408.670 7.785 0 1 HKAF COC(=O)c1ccc(/C=C/c2c(-c3ccc(OC)cc3)sc3ccccc23)cc1 61969046 SMUJXMHAUVSHSO-CXUHLZMHSA-N 400.499 6.534 0 3 HKAF CCCOc1cccc2[nH]c([C@@H]3[C@H]4CC[C@H](C4)N3C(=O)NCc3ccccc3C)nc12 205210090 ZXNRHQWHVZDXTD-GWJPWWOOSA-N 418.541 5.095 0 3 HKAF Cc1cc2nc(CN(Cc3ccccc3)Cc3nc4cc(C)c(C)cc4[nH]3)[nH]c2cc1C 206063357 XFDLAVNOCGFNIQ-UHFFFAOYSA-N 423.564 5.875 0 3 HKAF CC(C)c1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCc2ccc(F)cc2)cc1 775505 SEYYQWOOXMTCBG-UHFFFAOYSA-N 408.517 5.874 0 1 HKAF CCc1cc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c(Cl)c(CC)n1 3779131 KGQSWAKXUAIUDM-UHFFFAOYSA-N 418.932 5.319 0 1 HKAF COc1cc(OC)c(-c2c(C)cc(OC)c3c(OC)cccc23)c2c1C(C)=N[C@@H](C)C2 13359242 XSHYHGPIMCKDFK-HNNXBMFYSA-N 419.521 5.603 0 1 HKAF biogenic,in-vitro CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(N2CCCC2)cc1C 26658183 CUBOPSKSKGBEOA-UHFFFAOYSA-N 403.526 5.878 0 1 HKAF COc1ccc(C(=O)C[C@@H](CC(=O)c2ccc(F)cc2)c2cccc(C(=O)O)c2)cc1 27637771 QBOAZRGVARYMMI-HXUWFJFHSA-N 420.436 5.162 0 1 HKAF Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3cccs3)C2)cc1 28061155 NGHWEHQGOVYTRH-NRFANRHFSA-N 401.560 6.536 0 1 HKAF CCOP(=O)(OCC)[C@@H](Nc1nc2c(C)cccc2s1)c1ccccc1F 28571183 CLASFMUIFVKHQI-GOSISDBHSA-N 408.435 6.121 0 1 HKAF O=c1ccc2c(OCCCOc3cccc(C(F)(F)F)c3)c3ccoc3cc2o1 35848065 BRUCNEJBTJLSAA-UHFFFAOYSA-N 404.340 5.406 0 1 HKAF CCSC(=S)SCC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 40933952 RHEOWXVRBWQOPC-UHFFFAOYSA-N 409.985 5.546 0 1 HKAF COc1cc(Br)ccc1NC(=O)c1cc(Cl)cc(Cl)c1OC 40943136 AYSYKNHFAYPRTA-UHFFFAOYSA-N 405.075 5.025 0 1 HKAF Clc1ccc(-n2c(-c3ccccc3Cl)nc3c(N4CCCCC4)ncnc32)cc1 40972721 FUJXLLMAGNFIBI-UHFFFAOYSA-N 424.335 5.780 0 1 HKAF in-vitro C[C@H](Nc1nc(Nc2cc(C3CC3)n[nH]2)c(Cl)cc1Cl)c1ccc(F)cc1 43131572 IKAKCCCBVXFBIA-JTQLQIEISA-N 406.292 6.045 0 1 HKAF C[C@H]1CN(CCc2ccccc2)CC[C@H]1N(C(=O)c1ccco1)c1ccccc1Cl 58608529 AUFUBWNAAOCRHM-SIKLNZKXSA-N 422.956 5.533 0 1 HKAF COc1ccccc1[C@H]1N=NC(C2=C(O)c3ccccc3C2=O)=C[C@@H]1c1ccccc1 68582453 QQLADQBGQNDNSN-HYBUGGRVSA-N 408.457 6.035 0 1 HKAF biogenic CCN(CC)c1ccc(-c2ccc3cc(-c4nc5ccccc5[nH]4)c(=O)oc3c2)cc1 71329859 KVMAHKSAAVUCBE-UHFFFAOYSA-N 409.489 5.850 0 1 HKAF CCCCCc1nc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccccc2)oc1C 82162790 CVOLDNIYUMFUNC-IBGZPJMESA-N 406.530 5.431 0 1 HKAF CCc1cnc(-c2cnc(NCc3ccccc3OC)nc2-c2ccccc2)s1 82163293 SZWTXAQGXSJJRE-UHFFFAOYSA-N 402.523 5.450 0 1 HKAF CC[C@H](C)Cn1c(C(C)C)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 82189859 ONKDEYOFEFFURB-AWEZNQCLSA-N 420.388 5.957 0 1 HKAF COc1ccc([C@H]2C(c3ccc(C)cc3)=NO[C@]23SCc2ccccc2C3=O)cc1 103188464 RMOQKPHNVXRNEZ-DHLKQENFSA-N 415.514 5.348 0 1 HKAF CC(C)(C)Cc1c(-c2ccccc2)sc(N)c1C(=O)c1ccc(Cl)c(Cl)c1 103228488 WAVWLDKQJWKFJY-UHFFFAOYSA-N 418.389 7.124 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@@H](O)C[C@H]1CC3 253698651 RFSQQROZMSPZKI-ZZWPLXBOSA-N 400.691 7.779 0 1 HKAF CN1[C@H]2CC[C@H]1[C@@H](CNc1cccc(Br)n1)[C@@H](c1ccc(Cl)cc1)C2 254120839 RZDYKEZBUSRGJW-MHORFTMASA-N 420.782 5.176 0 1 HKAF COc1cc(-c2ccc(CN[C@H](C)c3cccc4ccncc34)cc2)ccc1C(=O)O 261181440 WEMWZILHNLCISU-QGZVFWFLSA-N 412.489 5.459 0 1 HKAF CCc1ccc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1Br 586976130 DDSJRQHENSUCKO-UHFFFAOYSA-N 408.137 5.934 0 1 HKAF CC(C)CCOc1ccc(Br)cc1-c1nc2cc3c(cc2[nH]1)OCO3 586982437 XRPPTPAWEKPZFR-UHFFFAOYSA-N 403.276 5.146 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(-n4cccn4)c(F)c3)nc3ccc(O)c1c23 586986883 QIIMCOFBWQUATB-UHFFFAOYSA-N 407.404 5.144 0 1 HKAF COc1cc(C)c(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1OC 586993188 UQGXNIDLKCGWED-UHFFFAOYSA-N 411.457 5.068 0 1 HKAF COc1cc(OC)c2[nH]c(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc2c1 587060456 MLGIIBPJZPAMHP-UHFFFAOYSA-N 415.880 6.116 0 1 HKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(OCCN(C)C)cc2[nH]1 587073615 HXPMVUFAPUXSFL-UHFFFAOYSA-N 405.929 5.799 0 1 HKAF Fc1cc(Br)cc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587074031 PCUXZBUJSDRJJY-MRXNPFEDSA-N 408.702 5.455 0 1 HKAF CCOC(=O)c1csc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)n1 587102489 VLDXCVBMBPUICZ-UHFFFAOYSA-N 400.459 5.055 0 1 HKAF COC(=O)c1cc2nc(/C=C/c3ccc(F)cc3F)[nH]c2c(F)c1Nc1ccccc1 587148692 KCMUGSLZRALLFI-CSKARUKUSA-N 423.394 5.681 0 1 HKAF Fc1ccc(/C=C(/c2nc3ccc(OC(F)(F)F)cc3[nH]2)c2cccs2)cc1 587163498 KDYNERHVDYAWSE-XNTDXEJSSA-N 404.388 6.251 0 1 HKAF Cc1cc(C)c2[nH]c(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc2c1 587165602 FSLVTANADSRCNF-UHFFFAOYSA-N 411.484 5.656 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cccc(Br)c3[nH]2)c1 587196490 XKUFMKRIQRVTSS-UHFFFAOYSA-N 416.319 5.672 0 1 HKAF CC(C)[C@@H](c1nc2cc(Cl)c(F)c(F)c2[nH]1)N(C)C(=O)OCc1ccccc1 587197823 PNXFSWXLQCJXQE-SFHVURJKSA-N 407.848 5.460 0 1 HKAF FC(F)(F)c1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2cc1Cl 587231949 IVPRYRCRZCHLID-UHFFFAOYSA-N 405.807 5.785 0 1 HKAF Cc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1Cl 587239129 IFVPNGDTHKLPDL-LEXZLQQCSA-N 419.953 5.080 0 1 HKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(Br)cc2[nH]1 587247750 RXZMBASVLKRDQO-UHFFFAOYSA-N 408.299 5.740 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCCNc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 587329445 MRTKPSHQNIXLHW-LADGPHEKSA-N 423.871 5.645 0 1 HKAF C[C@@]1(c2ccc(F)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339621 ZDFNGKYIWVPWSK-IRLDBZIGSA-N 400.808 5.598 0 1 HKAF Cc1ccccc1[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351084 FYMIGLHLONKGIE-ZEQKJWHPSA-N 404.481 6.140 0 1 HKAF CCOC(=O)[C@@H]1CCCCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587362945 MXZFXXLRVRNKEV-HXUWFJFHSA-N 415.489 6.030 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3ccc(Cl)c(Cl)c3)o1)O2 587376927 DTEGFJRTXCBJLK-FQEVSTJZSA-N 418.276 5.763 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(OC(F)(F)F)cc3)cc1)O2 587384266 ZFQVMUBKWJCZOO-NRFANRHFSA-N 413.395 5.849 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1NC(=O)Oc1ccccc1)O2 587387676 RPOJHDZLVWQLQF-XMMPIXPASA-N 402.450 5.069 0 1 HKAF O=C1C[C@H](c2cc(-c3ccc(Br)cc3)no2)Oc2c1ccc1c2CCCC1 587495549 DAKLYVKJYWPJOV-HXUWFJFHSA-N 424.294 5.689 0 1 HKAF O=C1C[C@@](Cc2ccccc2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587502715 SNQXHRVRIHEPKZ-SANMLTNESA-N 402.921 6.322 0 1 HKAF O=C1C[C@@](Cc2ccccn2)(c2ccc(Cl)cc2F)Oc2c1ccc1c2CCCC1 587503479 HBJUXDJEWQVRAT-VWLOTQADSA-N 421.899 5.856 0 1 HKAF O=Cc1ccc(OC[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525272 UEPDKGPOLILJGM-MHZLTWQESA-N 412.485 5.318 0 1 HKAF C[C@]1(c2ccc(-c3cccc(C(=O)O)c3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587528525 AXZIXSOZEJNBOB-HHHXNRCGSA-N 412.485 5.811 0 1 HKAF C[S@@](=O)c1ccccc1-c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587532074 KRVHISPPAUCDIG-AYWVHJORSA-N 416.542 5.676 0 1 HKAF Cc1cc2c(cc1Cl)[C@]1(C=CO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551508 GDUUBTWWIDURSW-REWPJTCUSA-N 406.821 5.117 0 1 HKAF Cc1c(Br)cc2nc(COc3cccc(OCC(C)C)c3)[nH]c2c1C 587565777 KAZSVHIYFCAGQL-UHFFFAOYSA-N 403.320 5.556 0 1 HKAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC(C)C 587596702 RAZMCASYZKGQRJ-DHLKQENFSA-N 420.461 5.139 0 1 HKAF C[C@H](Cc1ccc(C(C)(C)C)cc1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600725 CBAKDZRHOARKSG-WVTMANGGSA-N 416.517 5.899 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc(O)c1 587611845 UJXGDIBPUALPNV-JYFHCDHNSA-N 410.425 5.003 0 1 HKAF Cc1ccsc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612918 LMQRCSZWBDIUIV-PXDATVDWSA-N 414.482 5.668 0 1 HKAF COc1ccc(-c2c(-c3cc(Cl)ccc3Cl)[nH]c3c(C)cc(Cl)cc23)cc1 587623640 KWBHIBWWNWKTDO-UHFFFAOYSA-N 416.735 7.779 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCc3ccc(Cl)cc32)N1 587696320 JVVBTTZIISRJKP-ODXCJYRJSA-N 408.742 5.746 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3Cl)o2)N1 587702496 ZVWSGKVHLFYZED-BIBXISHDSA-N 420.709 6.125 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(Cl)ccc2C(F)(F)F)N1 587710685 HCJRKERQUDWGMW-WJWGPLDTSA-N 423.635 5.279 0 1 HKAF CC(C)Oc1ccc(CC[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587792791 MTUKZHVGWFMYSL-LIRRHRJNSA-N 406.339 5.584 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(-c3ccccc3)no2)N1 587798360 VEBDNABIXFDLJC-MPBGBICISA-N 401.279 5.041 0 1 HKAF CCOc1cc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)C 587801824 NWAIINZJEUVXSI-RCDICMHDSA-N 420.366 6.042 0 1 HKAF Cc1ccc(C2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587815019 JNJKNEVULSXEBR-KRWDZBQOSA-N 424.357 6.031 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc3ccc(Cl)cc23)N1 587853685 AWAPQHPNUTXSNI-LZVRBXCZSA-N 410.739 6.080 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1c(C)cccc1C 587863663 PRHUEFULMDHCOL-UHFFFAOYSA-N 405.445 5.439 0 1 HKAF CC[C@]1(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)CC(=O)c2ccccc2C1 587959878 IOPCQGXJIPLMLJ-AREMUKBSSA-N 412.558 6.482 0 1 HKAF O=C(N[C@H](Cc1ccccc1)C(=O)O)c1coc(-c2cccc(-c3ccccc3)c2)c1 621431247 PCSMOORJRAOGGF-HSZRJFAPSA-N 411.457 5.039 0 1 HKAF c1ccc(N2N=C(c3ccc4c(c3)OCCO4)C[C@H]2c2ccc3ccccc3c2)cc1 653899383 MUXBGPMGIZLAKQ-VWLOTQADSA-N 406.485 5.967 0 1 HKAF C[C@]1(c2cnc3ccsc3c2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962645792 YGCAPYGECVBWME-GJZUVCINSA-N 411.574 5.307 0 1 HKAF FC(F)(F)Oc1ccc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)cc1Cl 962669871 PMNNJRJRNKNDEJ-NRFANRHFSA-N 403.831 6.141 0 1 HKAF Cc1ccc([C@]2(C[C@H](C)CC(=O)O)c3ccsc3CCN2Cc2ccco2)cc1C 962704044 IFULHRIASATZJO-CRICUBBOSA-N 423.578 5.761 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccccc2C(F)(F)F)(C(C)(C)C)N1 962963966 XKPLNBDJRYXAMP-IQMFZBJNSA-N 400.488 6.401 0 1 HKAF COc1ccc(Oc2cccc([C@@H]3c4cccc(Br)c4CCN3C)c2)cc1 963278466 BGEYENQULLZZGX-HSZRJFAPSA-N 424.338 5.827 0 1 HKAF Cc1cc(C)cc([C@H]2CCCN2Cc2ccc(Oc3ccc(C(N)=O)cc3)c(F)c2)c1 1772586338 RJSQEFZXMBCIQM-XMMPIXPASA-N 418.512 5.671 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N(CCO)CCO 1857619795 KQDNFAKMGYTXPE-KUBAVDMBSA-N 415.618 5.278 0 1 HKAF CCN=c1cc(-c2ccc(NC(=O)Nc3ccc(C)cc3)cc2C(F)(F)F)cc[nH]1 1857653442 NMJCXPNXCXWDRV-UHFFFAOYSA-N 414.431 5.574 0 1 HKAF C[C@H]1CC[C@@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)OC1=O 2356404897 AFEXHFWTRVEKQA-SSPZSYRCSA-N 414.630 6.192 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC[C@]21C)C(C)C 2356453264 SQDMPVUEHGQIMQ-ISMPXWDBSA-N 410.686 7.721 0 1 HKAF Cc1cccc(OCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 164581890 AEUCLSHJEWFVOC-UHFFFAOYSA-N 415.577 5.412 0 3 HKAF Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c(C)c1 13610246 YWVNAIWRDXBOOS-UHFFFAOYSA-N 411.509 5.137 0 1 HKAF Cc1ccc(-c2ccc(/C=C/[C@@H]3[C@@H]4[C@@H](C)OC(=O)[C@@H]4C[C@@H]4CCCC[C@H]43)nc2)cc1 13673152 SRSAJMUUGWBWRX-BZXXIZLTSA-N 401.550 6.074 0 1 HKAF COc1cc2oc(=O)cc(-c3ccc(-c4sccc4C=O)cc3)c2c(OC)c1OC 13814332 GLAYPDJZTZCTQS-UHFFFAOYSA-N 422.458 5.027 0 1 HKAF CC(C)=CCc1c2oc(C(C)(C)O)cc2c(O)c2c(=O)c(-c3ccc(O)cc3)coc12 15205918 ZJPXKVGTXCAVOR-UHFFFAOYSA-N 420.461 5.354 0 1 HKAF biogenic O=C(Nc1ccc(Cl)c(Cl)c1)[C@](O)(CSc1ccccc1)C(F)(F)F 28091925 BFTHVDZOQVUOJB-OAHLLOKOSA-N 410.244 5.018 0 1 HKAF N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccccc1 28096230 MKJHQNPSJUWWHN-HSZRJFAPSA-N 405.505 5.457 0 1 HKAF Clc1ccc([C@H]2CO[C@@](Cn3ccnc3)(c3ccccc3Cl)O2)c(Cl)c1 28768257 TWSPNUPQJYVQMY-RTBURBONSA-N 409.700 5.484 0 1 HKAF COc1ccc([C@]23Cc4ccccc4[C@H](O2)c2c(cc(-c4ccccc4)oc2=O)O3)cc1 36379225 XKFOKEDGBLGUGQ-BDYUSTAISA-N 424.452 5.223 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3/C[C@@H](O)C[C@H](O)/C3=C\F)CCC[C@@]21C 38791707 SDBKJGWYBRQPAF-HMEPYFIVSA-N 418.637 6.887 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2C(/C=C\C3=C[C@@H](O)[C@@H]4O[C@@H]4C3)=CCC[C@@]21C 40391650 BGWBZDCPEOFDGR-HGODFWPDSA-N 400.603 5.331 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4C=C(C(=O)O)CC[C@@H]4[C@H]3CC[C@]12C)C(C)C 40747198 MPQGKRPBJJRBJF-PYPPLFHRSA-N 413.602 5.442 0 1 HKAF CNCc1cccc2[nH]c(-c3ccc(Cc4cc(Cl)ccc4OCC(C)C)o3)nc12 45202324 WZUNOCCSZMBAHX-UHFFFAOYSA-N 423.944 5.821 0 1 HKAF CCCCCNC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 45385361 BVEYRSLPYWLSQB-SKCNUYALSA-N 401.679 6.342 0 1 HKAF Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)OCc1cccc(N(C)C)c1 59068897 JNWBTZFJGMCWBE-UHFFFAOYSA-N 420.296 5.772 0 1 HKAF c1cc2oc1Cc1ccc(o1)Cc1ccc(o1)Cc1ccc(o1)Cc1ccc(o1)C2 64624952 NBHWNHCXSQNAKB-UHFFFAOYSA-N 400.430 5.919 0 1 HKAF in-vitro Oc1c(Br)cc(CCc2ccc(OC(F)F)cc2)cc1Br 66078099 RMEDGVYSJAKZFG-UHFFFAOYSA-N 422.063 5.304 0 1 HKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5[nH]ncc5C[C@]4(C)[C@H]3CC[C@@]21C 95563667 CJCDUPODHNHJOJ-XNWUTOGOSA-N 424.629 6.139 0 1 HKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2cccnc2)C[C@@H](c2ccccc2Cl)C1 103914618 GUZNUZAYWDTNKS-GYCJOSAFSA-N 401.897 6.364 0 1 HKAF Cc1cnc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2C)o1 105203048 QCNGKIHVIWXGMX-USNOLKROSA-N 402.542 5.898 0 1 HKAF C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 118913580 GMBQZIIUCVWOCD-OGHDWJBXSA-N 416.646 5.794 0 1 HKAF biogenic,in-vitro CCCCC/C=C\C[C@H](/C=C/C=C\C/C=C\CCCC(=O)OC)OC(=O)CC(C)C 140483686 OKHPUUNJBPCHEJ-WFYRLPSZSA-N 418.618 6.873 0 1 HKAF O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 144746115 BFKNKDAIQUIELE-XZOQPEGZSA-N 422.488 5.298 0 1 HKAF Cc1cnc(-c2ccccc2C(C)C)nc1N[C@@H](C)c1ccc(-c2cccnc2)cc1 169305368 RNKNMDXUBJOYEL-FQEVSTJZSA-N 408.549 6.811 0 1 HKAF CCC[P@@](=O)(O)Oc1cc(Nc2cc(-c3ccccc3OC)ncn2)ccc1C 169342903 AHGGHNRODGIMKU-UHFFFAOYSA-N 413.414 5.178 0 1 HKAF CC[C@H](C)c1cc(/C=C/c2ccccc2)cc([C@@H](C)CC)c1OC[C@H](O)CNC(C)C 221650076 VSILICXEBYOFHJ-NADAVFKBSA-N 423.641 6.622 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C 255282159 XXGBPWONQCELLQ-NDOVCUEZSA-N 404.679 6.439 0 1 HKAF CN1CCC(Oc2ccc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cc2)CC1 299829647 HUGULNQLJQNMAF-UHFFFAOYSA-N 420.940 5.732 0 1 HKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOc1ccc(C(=O)O)cc1 299849693 SGRGPOIYMVSOAA-HJOGWXRNSA-N 418.662 8.229 0 1 HKAF CCOc1cc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 473152688 VHCQHSPPDMHXHP-UHFFFAOYSA-N 424.468 5.551 0 1 HKAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586915620 GEINQNFTBOXFHC-DJJJIMSYSA-N 408.807 5.452 0 1 HKAF Cc1cc2[nH]c(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nc2cc1F 586983750 INYBICPULVKNQU-UHFFFAOYSA-N 424.273 5.692 0 1 HKAF Cc1onc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)c1COc1ccc(Cl)cc1 587075886 MALIMZDZDLYSLB-UHFFFAOYSA-N 407.779 5.778 0 1 HKAF CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@H]2c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105528 CNKZNYDYOGMFSD-KHIBUBOWSA-N 412.489 5.169 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc4c(c3[nH]2)CCCC4)c(Cl)c1 587159393 OOHUSEZJTMVYRP-HSZRJFAPSA-N 406.888 6.403 0 1 HKAF O=C(c1coc2ccc(Cl)cc12)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 587278198 INLRRBQEEWRODR-UHFFFAOYSA-N 423.806 5.965 0 1 HKAF Cc1ccc(C)c2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349932 HBNNXJDNRHZTPW-AZGAKELHSA-N 402.465 5.739 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3noc(-c4ccc(Cl)cc4)c3c1)O2 587380389 UIQRWVSKSXTXTK-NRFANRHFSA-N 404.853 5.745 0 1 HKAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccccc1F 587386691 WCZVGMAOQQMCIV-HSZRJFAPSA-N 407.441 5.010 0 1 HKAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccccc1C 587400586 RBVQMBDIOFAGOG-DEOSSOPVSA-N 403.478 5.180 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccccc1C(F)(F)F)CC2=O 587464467 RBFOCZBMJKLVJO-NRFANRHFSA-N 421.415 5.116 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1sc(Nc3ccccc3)nc1Cl)CC2=O 587495195 PSLXIFXFUHKXTK-QGZVFWFLSA-N 414.914 5.905 0 1 HKAF CN(C)/C=C/[C@]1(c2ccc(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587504056 IDZVYIMXXNOWFA-HRBBJJPOSA-N 416.348 5.808 0 1 HKAF C[C@H](c1ccccc1)n1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc2ccccc21 587516737 VLOAMSNADDCZFO-WXTAPIANSA-N 422.528 6.231 0 1 HKAF O=C1C[C@@]2(C[C@@H](c3ccccc3)Oc3ccc(O)cc32)Oc2c1ccc1c2CCCC1 587535119 IQRAKSWGIPVYRT-BDYUSTAISA-N 412.485 5.656 0 1 HKAF CCc1ccc(Nc2ncc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1 587535776 OJQNJNFBUDRREO-VWLOTQADSA-N 418.562 6.209 0 1 HKAF COc1c(C)cc(-c2csc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2)cc1C 587536376 VMFKXTLPQCMSOM-QFIPXVFZSA-N 419.546 6.021 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ncc2ccccc12 587552092 NKXJJTZWKORSQK-UGKGYDQZSA-N 403.821 5.297 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(C(F)(F)F)cc1Cl 587558544 WXVDTNIWPFOULU-VQIMIIECSA-N 421.758 5.162 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccc(Cl)c(Cl)c3)c2c1 587640677 IFXURHFLAMGTFG-LLVKDONJSA-N 404.293 6.006 0 1 HKAF COc1c(Cl)cc(Cl)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587695269 QTAXNNQHAKLFAH-BCTVWOGZSA-N 419.121 5.527 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cc(O)cc2Cl)N1 587698590 YYZJWBRUCRWZLB-HYORBCNSSA-N 405.094 5.224 0 1 HKAF CC(=O)c1cccc(/C=C/[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F 587725608 FHWVTEKPPYFXAH-XUAOIPRYSA-N 406.270 5.219 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCSc3cc(F)c(F)cc32)N1 587735957 VTURGKYSFMMIHP-DYBLOJMWSA-N 414.290 5.140 0 1 HKAF Cc1cccc([C@@]2(c3ccccn3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587773692 RGTPDZIACDZETE-QRQCRPRQSA-N 411.318 5.118 0 1 HKAF COc1cc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)C 587808480 QGCSGBKDFJUHGU-YEJXKQKISA-N 406.339 5.652 0 1 HKAF CCCCCC[C@]1(c2ccc(O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587832447 JQYQAMUJPBGORK-IVZQSRNASA-N 420.366 6.042 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(ccc4ccccc43)o2)N1 587835695 XRYTYASDWUPGRH-ZAMGYDSWSA-N 424.313 6.285 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCSc3c(Cl)cccc32)N1 587857090 KCAOSRJYUWIXNZ-MGNBDDOMSA-N 412.755 5.515 0 1 HKAF CCCc1ccc(OCc2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)o2)cc1 587875948 VYIYLNYUWMRBND-UHFFFAOYSA-N 418.424 5.608 0 1 HKAF C[C@@H](CCCNCC12CC3CC(CC(C3)C1)C2)Nc1ccnc2cc(Cl)ccc12 653715981 FMCNDCMLSNXGCP-SELVFMLMSA-N 412.021 6.275 0 1 HKAF CC(C)c1ccc(-n2nc(C(=O)O)cc2-c2ccc(OCc3ccccc3)cc2)cc1 653849910 UENGMGNNNAYDNG-UHFFFAOYSA-N 412.489 5.940 0 1 HKAF CCCCOc1ccc(F)c([C@@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)c1F 962566872 JKBMKNMGRMJHJQ-FPTDNZKUSA-N 405.485 5.127 0 1 HKAF Cc1onc(-c2ccccc2)c1[C@@]1(C)c2ccsc2CCN1Cc1cccnc1 962993400 BCEYQRZGIWSMAV-XMMPIXPASA-N 401.535 5.428 0 1 HKAF CC(=O)N(c1ccc(C)cc1)c1nc([C@H]2c3ccc(F)cc3C[C@H]3CCCN32)cs1 963103460 LBZCNPKCOZAHLP-NFBKMPQASA-N 421.541 5.385 0 1 HKAF C[C@@H]1CC[C@@H]([C@@H](C)C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)[C@H]2CC(=O)CC[C@H]21 1772589866 WPGWBJFFTHWZIM-QANQIFJLSA-N 424.972 6.008 0 1 HKAF CCC(=O)N1CC[C@]2(Cc3cccc(C)c3)c3ccccc3N(Cc3cccc(C)c3)[C@@H]12 1857584300 MQZXOMPTUHROEC-WDYNHAJCSA-N 424.588 5.773 0 1 HKAF C[C@@H](c1ccc(Br)cc1F)N1CCC(n2c(O)nc3ccccc32)CC1 1857640241 LYQFYKNKUAECRH-ZDUSSCGKSA-N 418.310 5.042 0 1 HKAF COCc1c(S(=O)(=O)C(F)F)ccc(Oc2cc(F)cc(Cl)c2)c1Cl 1857643604 WOPUMZLBYDMMAB-UHFFFAOYSA-N 415.216 5.068 0 1 HKAF Cc1cc2c([nH]c3c([C@@]4(C)CC[C@@]5(C(C)C)C[C@@H]45)c(O)ccc32)c2c1OC(C)(C)C=C2 1857768513 BENRMCVWICIKQJ-NUKCWJJBSA-N 415.577 7.233 0 1 HKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C 2356384835 CTEZGKJAIWCKTQ-HIOFDQQESA-N 416.646 5.250 0 1 HKAF CC[C@@H]1C(=O)C[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@]3(C)CC[C@H]3C(C)(C)CCC[C@]34C)[C@@H]12 2356730290 VTXYKMSXQQAUAA-PFDVIOKNSA-N 410.686 7.987 0 1 HKAF CC(=C[C@@H]1CC(=CCCc2ccoc2)CO1)CCC=C(C)Cc1cc(C(=O)O)co1 2356800774 QGDPRQKXOKUEFE-HSZRJFAPSA-N 410.510 6.134 0 1 HKAF CCCCNc1c(-c2ccc(-c3ccc(C(C)=O)cc3)c(OC)c2)nc2cnccn12 36382354 MQBMQRIIDDAYEW-UHFFFAOYSA-N 414.509 5.487 0 3 HKAF Cc1cc2nc(-c3cccc(Cl)c3)c(CC(C)(C)C)n2c(C)c1Br 95571526 UCHXBDPZHUMSCQ-UHFFFAOYSA-N 405.767 6.623 0 3 HKAF CCCC(=O)Oc1ccccc1-c1nc2cc(C)ccn2c1NC(C)(C)CC(C)(C)C 4719917 FGNHLBTWEUTLRD-UHFFFAOYSA-N 421.585 6.642 0 1 HKAF Clc1ccc(CN(Cc2ccc(-c3ccccc3)cc2)n2cncn2)c(Cl)c1 6582606 KNNXMRYUESMMLJ-UHFFFAOYSA-N 409.320 5.590 0 1 HKAF Cc1ccccc1-c1nc(Cn2c(=O)cc(-c3ccccc3)c3c(C)nn(C)c32)c(C)o1 9724793 MDBVBMCUIJRORY-UHFFFAOYSA-N 424.504 5.031 0 1 HKAF CSc1ccc(CSc2ncc(-c3ccc(F)cc3)c(-c3ccncc3)n2)cc1 13474278 ZUDWVLVNAHSFOW-UHFFFAOYSA-N 419.550 6.359 0 1 HKAF CC(C)C1=CC2=CC=C3C(C)(C)[C@H](OC(=O)c4ccccc4)CC[C@]3(C)[C@H]2C(=O)C1=O 13480799 AMNIHONGCLKGSD-LOYIFYEOSA-N 418.533 5.255 0 1 HKAF biogenic CCCCc1ccc(S(=O)(=O)N2CCCC(c3ccc(CC(C)C)cc3)=N2)cc1 13557102 LFOUEELIUITNAF-UHFFFAOYSA-N 412.599 5.417 0 1 HKAF O=C(/C=C/c1ccccc1Sc1ccc(Cl)cc1Cl)NC[C@H]1CCCO1 13814758 LVTRCHFXBKRWTG-OJXHRBAXSA-N 408.350 5.453 0 1 HKAF CCCC[C@@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)O)c(OC)c3)c2c1 26497664 JZJQVWMVYRERMF-GOSISDBHSA-N 422.525 5.551 0 1 HKAF Cc1cc(Br)c2c(c1)[C@H]1CCN[C@@H](Cc3cccc4ccccc34)[C@@H]1N2 26669100 SXUYSGJPFRBFEI-RZFNWQHOSA-N 407.355 5.393 0 1 HKAF CCSc1nc2ccc(OCCC3CCN(c4ccc(C)nn4)CC3)cc2s1 28523059 PFCFCBSUMZTMLM-UHFFFAOYSA-N 414.600 5.192 0 1 HKAF CC[C@@H](C(=O)O)[C@@H]1CCc2cc(OCCc3c(-c4ccccc4)noc3C)ccc21 28563411 ZBVFQLFYXGPTBW-OFNKIYASSA-N 405.494 5.412 0 1 HKAF COc1cc2cc(-c3cccc(CN(C)Cc4ccccc4)c3)c(=O)oc2cc1OC 28710680 LEKNRHNLBQAACF-UHFFFAOYSA-N 415.489 5.109 0 1 HKAF Clc1ccc([C@@H]2CO[C@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 28769180 WJFWSYABOJESIA-OALUTQOASA-N 409.700 5.484 0 1 HKAF COc1ccccc1-c1ccc2c(c1)c(CC(N)=O)cn2Cc1ccc2ccccc2c1 28888316 NJLQAJOIEOULLG-UHFFFAOYSA-N 420.512 5.546 0 1 HKAF COc1cc(C(=O)O)ccc1Cn1ccc2ccc(NC(=O)O[C@H]3CC=CCC3)cc21 29477757 BJGVDNZMYWMTAX-FQEVSTJZSA-N 420.465 5.054 0 1 HKAF C(=C/c1ccccc1)\CN1CCN(CCCCn2c3ccccc3c3ccccc32)CC1 40380714 HMCDJILRGCDRLK-JLHYYAGUSA-N 423.604 5.906 0 1 HKAF O=c1oc(-c2ccc(F)cc2)c(I)c2c1sc1ccccc12 42920986 UAYPDHHLBMPTOA-UHFFFAOYSA-N 422.218 5.418 0 1 HKAF Cc1ccccc1[C@@](C)(O)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C 43204843 LSQYYAVMYBZCPY-DOEKTCAHSA-N 416.540 6.109 0 1 HKAF O=C(CC(=O)Nc1ccc(Oc2ccnc3ccsc23)c(F)c1)Nc1ccccc1 45245358 QWVYEFCLRGZMJR-UHFFFAOYSA-N 421.453 5.195 0 1 HKAF CN(C)CC[C@@H](NC(=O)c1cccc(-c2ccccc2)c1)c1ccc2ccccc2c1 45300804 SFDMVDLKLWSMFZ-HHHXNRCGSA-N 408.545 5.930 0 1 HKAF COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc2ccccc2c1 49037132 QLFXOGOMCJQOQF-QDPGVEIFSA-N 413.561 6.556 0 1 HKAF Cc1ccccc1-c1nc(N[C@H]2CCCC[C@H]2C)ncc1-c1nc2ccccc2s1 82177228 PVJOAPJMMFHZGQ-XLIONFOSSA-N 414.578 6.719 0 1 HKAF COC(=O)c1c(Cc2ccccc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 95557935 PSHKZCQQNWMMBK-UHFFFAOYSA-N 403.865 5.022 0 1 HKAF CCOc1ccc(-n2cnc3cc(NCc4ccc(CC)c(N(C)C)c4)cnc32)cc1 95598438 ADCGYKMMYAWMJH-UHFFFAOYSA-N 415.541 5.060 0 1 HKAF c1ccc(N2CCN(Cc3cn(-c4cccc5ccccc45)c4ccccc34)CC2)cc1 103265577 PDNKXVVZIMUHTG-UHFFFAOYSA-N 417.556 6.106 0 1 HKAF CC[C@@]12CCCN(Cc3ccccc3)[C@H]1c1c(n(C)c3ccccc13)[C@H](C(=O)OC)C2 105503695 YFCBXMUGKAVGTO-UDZXTKBFSA-N 416.565 5.572 0 1 HKAF Clc1ccc(Sc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc1 117645827 IKQQULCSHLUYPQ-UHFFFAOYSA-N 420.921 6.115 0 1 HKAF Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](Cn2nc(-c3ccccc3)cc2C)CC1 118637303 UTRUIFXMYSIHGC-RVWIWJKTSA-N 422.960 5.204 0 1 HKAF C[C@@H](CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 142002730 LMZMEMKXSLGEMN-MSOLQXFVSA-N 408.557 7.402 0 1 HKAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 586892860 XKZNZVXEBSRUAD-XOBRGWDASA-N 417.347 5.506 0 1 HKAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 586963620 PKZFFNRMTYVUGV-GFCCVEGCSA-N 400.451 5.222 0 1 HKAF CCOC(=O)[C@H](Cc1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989662 NZSIRKHUNCGJHQ-HXUWFJFHSA-N 423.468 5.041 0 1 HKAF Cc1ccc2c3c(cc(-c4cnn(-c5ccccc5Cl)c4)nc13)-c1ccccc1C2=O 586993706 PSEOFVNHGCNBHX-UHFFFAOYSA-N 421.887 6.261 0 1 HKAF CCCn1cnc2cc(-c3nc4ccc(OC(C)C)cc4[nH]3)cc(Br)c21 587004707 ZGJCAIOXVDGRNN-UHFFFAOYSA-N 413.319 5.539 0 1 HKAF Cc1nc(COc2cccc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c2)cs1 587020026 CHFMDDQZAGNIOB-UHFFFAOYSA-N 421.469 6.186 0 1 HKAF CC(C)Oc1cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2cc1Br 587024802 CXOJUYMNQUEEMW-UHFFFAOYSA-N 413.340 6.508 0 1 HKAF COc1cc(/C=C/c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc(Cl)c1OCC(C)C 587046761 LTBDARXILLQKLM-SNAWJCMRSA-N 412.877 5.012 0 1 HKAF Clc1cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2cc1Cl 587051223 ZEIKKNUPOIOEJN-UHFFFAOYSA-N 423.730 8.010 0 1 HKAF O=C1c2ccccc2-c2cc(-c3c(O)cc(Br)cc3F)nc3cccc1c23 587104358 SJZVNZRKYYOJJU-UHFFFAOYSA-N 420.237 5.720 0 1 HKAF Fc1cc(F)c(-c2nc3cc(Br)c(F)cc3[nH]2)cc1Br 587137647 DILBNPRYNRXKIC-UHFFFAOYSA-N 405.999 5.172 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c(F)c1 587144686 NHMVGFXUHOSKAX-UHFFFAOYSA-N 416.239 5.744 0 1 HKAF CC(C)COc1cc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1Br 587164406 UTGJKISJWYCSLN-IBGZPJMESA-N 420.326 5.150 0 1 HKAF Cc1c(Br)ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 587164888 YDJMJPUQXNDCSX-PTNGSMBKSA-N 413.315 6.423 0 1 HKAF COc1ccc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)c(I)c1 587179665 FKSPTILCGZCDEI-UHFFFAOYSA-N 406.267 5.141 0 1 HKAF COC(=O)[C@@H](c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C)C(C)C 587362545 JLVKMPJPVOQEAN-HXUWFJFHSA-N 403.478 5.878 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3ccc(F)cc3Cl)cc1)O2 587385715 PKRYSXGVDWQGEV-JOCHJYFZSA-N 411.860 5.655 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1OCc1ccc(C)cc1)[C@@H](C2)C3=O 587419798 LWJMSYUHVAGGHE-CPJSRVTESA-N 420.892 5.725 0 1 HKAF CCOc1ccc([C@@]2(c3ccccc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587421073 RVWCEKOHMPAMQQ-NLFFAJNJSA-N 420.892 5.439 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1nc3c(s1)C[C@H](c1ccccc1)CC3)CC2=O 587492511 AJMHLTLWOXEHIA-OPAMFIHVSA-N 419.546 5.780 0 1 HKAF O=C1C[C@@H](c2cccn2-c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 587500960 ZBOATARVBJGKDL-QFIPXVFZSA-N 422.322 5.825 0 1 HKAF C[C@H]1CCCCCCCCCCCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587524090 JYXZLJKMFDHXOE-DWACAAAGSA-N 410.642 7.990 0 1 HKAF C[C@]1(c2ccc(Sc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587534509 ZNSOGQQJCAXNLX-AREMUKBSSA-N 400.543 6.597 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccccc2nc1Cl 587554985 ZALVMHDZAVKLPG-SIKLNZKXSA-N 403.821 5.297 0 1 HKAF CC(C)n1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21 587580044 WUWAGYLWZVYXKM-OFNKIYASSA-N 400.434 5.026 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)C(F)(F)C(F)(F)F)c(-c3ccc(F)cc3)[nH]c12 587625001 YLZIBWRXIZGPGF-UHFFFAOYSA-N 405.725 6.316 0 1 HKAF Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 587676599 HOXSUCNIIAIMIJ-DYZYQPBXSA-N 413.128 5.283 0 1 HKAF Cc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587708743 DFLQSFFGXUXKSW-KZULUSFZSA-N 416.256 5.545 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(Br)c(F)c3[nH]2)c1 587779618 BGKUSEPZNJNFFT-UHFFFAOYSA-N 411.274 6.197 0 1 HKAF CC(C)[C@@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 587804045 QUPGHKLFLVWMOH-ASSNKEHSSA-N 401.323 5.503 0 1 HKAF CCCC[C@@]1(c2ccc3c(c2)OCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 587831951 ANMVORCBKYAJBI-ASSNKEHSSA-N 420.322 5.285 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ccccc3)n2)N1 587854357 TUBQZVPRXCIZMM-VOJFVSQTSA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C(C)(C)c1ccccc1 587859533 YOLJGEBIKSWACB-UHFFFAOYSA-N 403.309 5.874 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc(/C=C(\C)C5CCCCC5)[nH]c4c3)o2)cc1 587969194 WNARPVXWIYYTCS-JQIJEIRASA-N 414.509 6.272 0 1 HKAF CC1(C)CCC(C)(C)c2cc3c(cc21)O[C@H]1CCCC[C@]31c1ccc(C(=O)O)cc1 653737568 GNYIFRIYMYLWAP-HOFKKMOUSA-N 404.550 6.355 0 1 HKAF CC[C@H](c1ccc(OC)cc1OC)[C@@]1(CC)NCCc2cc(-c3ccccc3)ccc21 962667907 WYJCOPFDMGDKCO-LEAFIULHSA-N 415.577 6.316 0 1 HKAF Cc1cc(-c2nc(-c3ccc(C(F)(F)F)c(Cl)c3)n3c2CCOCC3)cc(C)n1 1772571344 BMKTZIFXRIUBIQ-UHFFFAOYSA-N 421.850 5.474 0 1 HKAF CC[C@@H](C)[C@H](NC(=O)[C@]1(C)CCC[C@@H]2c3ccc(C(C)C)cc3CC[C@H]21)C(=O)OC 1857602014 HWFNRWPOEMACQI-XKVMJBNSSA-N 413.602 5.350 0 1 HKAF CC[P@](=O)(OC1CCC1)c1ccc2oc(-c3cccc(C(F)(F)F)c3)nc2c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c1ccc(C(=O)O)cc1)c1ccccc1N1CCCCC1 27563922 ZDEONCYIIVKHGT-QHCPKHFHSA-N 422.569 5.355 0 1 HKAF CC(=O)c1ccc(CCCOc2c(C)cc(-c3noc(C(F)(F)F)n3)cc2C)o1 28769415 WTVCKSODTBBCMX-UHFFFAOYSA-N 408.376 5.179 0 1 HKAF CN(C)CCC(=O)N1c2ccccc2N2CCc3cccc(c32)[C@@H]1C1CCCCC1 28771346 CTNBPRUSMFXLMW-SANMLTNESA-N 403.570 5.301 0 1 HKAF CC(C)=CCN1c2cc(Br)ccc2[C@]2(CC=C(C)C)CC(=O)N(C)[C@H]12 35848023 UKUFKGOAWMVCIL-RTWAWAEBSA-N 403.364 5.018 0 1 HKAF biogenic COC(=O)[C@@H](Oc1ccc(F)cc1)c1ccc(Sc2ccc(Cl)cc2)cc1 39242767 XTASLUPPQBHGNK-FQEVSTJZSA-N 402.874 5.923 0 1 HKAF CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2Nc1cc(C)ccc1C 40412925 MYPDFKCKAILAMW-QFIPXVFZSA-N 414.593 6.988 0 1 HKAF Cc1ccc(/C=C2\CN(C)C[C@@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(C)cc2)cc1 52603529 LESIUXAPNLUCAI-XDIVJCKWSA-N 407.561 5.866 0 1 HKAF O=C(Nc1cc2nc(C3CCCCC3)[nH]c2cc1N1CCCC1)OCc1ccccc1 66100805 ZGYVJIQNSGQUKA-UHFFFAOYSA-N 418.541 5.960 0 1 HKAF CCN(CC)CCNCc1nccc2c3ccccc3n(Cc3cccc(Cl)c3)c12 72106399 XUYPKIGBAWBYEV-UHFFFAOYSA-N 420.988 5.323 0 1 HKAF CC1=Nc2ccc(Cl)cc2[C@H](c2cccc(Cl)c2)N1CCN1CCCCC1 72123408 ILPZCLKVHPCMFM-QFIPXVFZSA-N 402.369 5.934 0 1 HKAF COc1cccc([C@H](O)c2nnc(Nc3ccc(Oc4ccccc4)cc3)s2)c1 82078151 ILQDEUGRNOCIJD-FQEVSTJZSA-N 405.479 5.164 0 1 HKAF CC[C@@H](C)Cn1c(C(C)C)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 82179008 HGXFYEQQPJEVMM-CQSZACIVSA-N 405.468 5.627 0 1 HKAF COc1ccccc1CNc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3 84669408 QHXYHTCZILAGEI-DKRHUIDYSA-N 416.609 5.776 0 1 HKAF CCOC(=O)/C(=C/Nc1ccc(C(C)C)cc1)c1ccc(OCc2ccccc2)cc1 96178849 VHOPPUIZKRJNCN-NLRVBDNBSA-N 415.533 6.405 0 1 HKAF Oc1cc(OCc2ccc3ccccc3n2)ccc1[C@@]1(c2ccccc2)C[C@@H]2CC[C@@H]1C2 101132680 KNYWUTUCLAODJW-LZVPSXTNSA-N 421.540 6.626 0 1 HKAF O=C(c1ccccc1)c1ccc2c(c1)N=C1CCCC(O)=C1[C@H](c1cccc(O)c1)N2 103871800 PJWHGVDUYHEJDB-VWLOTQADSA-N 410.473 5.859 0 1 HKAF Cc1nc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2)sc1C 105189108 NMQDQHSYXOWFPB-VUBIOCNBSA-N 418.610 6.367 0 1 HKAF COc1ccc(-c2nc3ccc(-c4ccc5[nH]c(-c6ccccc6)nc5c4)cc3[nH]2)cc1 113784709 IQEWIIWKWPCQIU-UHFFFAOYSA-N 416.484 6.449 0 1 HKAF CN(c1ccc(Oc2ncccc2-c2cccnc2)cc1)c1nc2ccccc2s1 143731303 GZPZGEPMXIFAOW-UHFFFAOYSA-N 410.502 6.314 0 1 HKAF CC[C@H](CC/C(C)=C1\CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 153246140 BRVYWOZQRGZTAN-DKCXPFDXSA-N 412.702 8.089 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2ccc(F)cc2)n1 167778123 WICULDIDHDKEFX-NRFANRHFSA-N 420.484 5.159 0 1 HKAF C[C@@H](CCc1ccc(F)cc1)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CNCC1 169344082 HHTKRKGUAWUSKZ-IRXDYDNUSA-N 409.545 5.822 0 1 HKAF CC(C)CCc1cnc(-c2ccc(-c3ccc(OCC(C)(C)C(=O)O)cc3)nc2)[nH]1 218543515 HFOUSXZNNLYEAV-UHFFFAOYSA-N 407.514 5.217 0 1 HKAF Clc1ccccc1CNc1cccc(-c2ccnc3[nH]c(C4CCNCC4)cc23)n1 220267237 PTQSJMBZPPKIDA-UHFFFAOYSA-N 417.944 5.357 0 1 HKAF CC(=O)N[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 255262030 RBBVXROQBNFDAF-HIRNNYSJSA-N 401.591 5.022 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CCC2=C3CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 257553845 UIPYFONRKZTOIY-XXVFGLLYSA-N 400.691 7.779 0 1 HKAF endogenous,in-man CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 586882157 KWRUUEDMAVQTTO-UHFFFAOYSA-N 400.503 5.643 0 1 HKAF CSc1ccc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2c1 586984969 WVFBJWNIDBLXPD-OAHLLOKOSA-N 403.389 6.420 0 1 HKAF C[C@H]1c2nc3ccc(O)c4c3c(c2CCN1C(=O)OC(C)(C)C)-c1ccccc1C4=O 586987445 BAPYHCRAXLZLGT-ZDUSSCGKSA-N 416.477 5.006 0 1 HKAF Cc1ccc2c3c(c4c(nc13)C(NNc1ccccc1)=CCC4)-c1ccccc1C2=O 586996116 MTTLXRBXDRDWHX-UHFFFAOYSA-N 403.485 5.658 0 1 HKAF Cc1ccc(-c2nc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c(C)s2)cc1 587012800 KHVJESVFDVQALF-UHFFFAOYSA-N 411.534 5.802 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4c(Br)nccc4[nH]3)cc2)n1 587020359 PDFTYAUMXGZMMH-UHFFFAOYSA-N 417.357 5.445 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)n1 587020397 RBXQAGAWOCHJGD-UHFFFAOYSA-N 417.357 5.445 0 1 HKAF COc1cc(/C=C/c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc(Cl)c1OCC(C)C 587046803 MMOVJAVQABCSKX-HXRGIAOBSA-N 414.893 5.154 0 1 HKAF Clc1ccc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)ccc2Cl)cc1 587047723 LOCPPSFIJZQRGC-UHFFFAOYSA-N 408.115 7.511 0 1 HKAF Cc1ccc2c3c(c4c(nc13)C[C@@H]4C(=O)OCc1ccccc1)-c1ccccc1C2=O 587098816 UZAUJVMWZXTMJR-FQEVSTJZSA-N 405.453 5.138 0 1 HKAF CC(C)=Cc1nc2c(C)ccc3c2c(c1[C@H](C)c1ccc(C)cc1)-c1ccccc1C3=O 587099504 LITRTYOODZSOBA-HXUWFJFHSA-N 417.552 7.638 0 1 HKAF CCn1ncc(Br)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587102792 YIAJCNSKXAWGRM-UHFFFAOYSA-N 404.267 5.092 0 1 HKAF O=C1c2ccccc2-c2c(Cc3ccc(F)c(OC(F)F)c3)cnc3cccc1c23 587103562 JZUMBHCPDUIVDK-UHFFFAOYSA-N 405.375 5.778 0 1 HKAF Cc1ccc(OCC(=O)O)c2c1[C@@H](C)c1c-2nc2cccc3c2c1-c1ccccc1C3=O 587105577 ACLMNCPCZWMNQX-CQSZACIVSA-N 421.452 5.350 0 1 HKAF FC(F)(F)Sc1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 587119988 MJYRDZLYBJEPNC-UHFFFAOYSA-N 420.382 5.317 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(/C=C/c4ccc(F)cc4F)[nH]c3c2)cc1 587152124 YSGPCHCPIUFMEH-VZUCSPMQSA-N 406.388 5.590 0 1 HKAF CC(=O)NC1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CCC(C)CC1 587234356 KDJRZXGKLREXRP-UHFFFAOYSA-N 404.539 5.381 0 1 HKAF C[C@]1(c2cc(F)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331523 HOLZDTWTFIWHNI-RBBKRZOGSA-N 400.808 5.598 0 1 HKAF CC1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2O1 587353880 NWVDMXMQOMHJTQ-RCZVLFRGSA-N 404.437 5.347 0 1 HKAF Cc1cccc(C[C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587357093 SLOKMJUCFGXUEU-RSXGOPAZSA-N 402.465 5.590 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)O2 587381993 MCRZGMJYQHDVGI-KRWDZBQOSA-N 403.322 5.495 0 1 HKAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccccc1F 587384110 AJMWERJZKXENRW-JOCHJYFZSA-N 407.441 5.010 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(F)cc(C(=O)OC(C)(C)C)cc1F)CC2=O 587466336 NGZZAEBRUCPAKK-IBGZPJMESA-N 418.436 5.285 0 1 HKAF CC(C)C[C@]1([C@H](C)NC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587510605 MBYDMDCJTUQERF-UPCLLVRISA-N 401.547 5.229 0 1 HKAF CC(C)Oc1cccc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587520851 GHCFVIMCBKLJMP-VWLOTQADSA-N 408.494 5.078 0 1 HKAF COc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 587522816 HVFCRRFDBVEXLV-MHZLTWQESA-N 414.501 5.492 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCCC2)cc1F 587568828 NMDCSCNGRMSRDF-WIOPSUGQSA-N 419.452 5.225 0 1 HKAF Cc1cccc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)c1C 587581947 JTXMGBFKIZHYDU-QHCPKHFHSA-N 415.489 5.010 0 1 HKAF COc1ccccc1[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600603 ORQQNFSLJYVYPU-OFVILXPXSA-N 404.462 5.304 0 1 HKAF C[C@]1(c2ccc(C3CCCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601420 FXAOUTAQOFCCOP-SHQCIBLASA-N 414.501 6.317 0 1 HKAF CC[C@]1(C)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2O1 587616896 NRBLVHSXXSHPKD-SDUSCBPUSA-N 402.446 5.201 0 1 HKAF CC(C)(C)[C@]1(c2cc3ccccc3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587617034 OEIJQPUCIXBSFN-BKMJKUGQSA-N 414.457 6.042 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)cc2C(F)(F)F)N1 587709738 CLCINOBVLYRSFU-HUTHGQBESA-N 418.228 5.110 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nc3ccccc3n2C(F)F)N1 587715623 HZCOBLDEDZYONB-GIGQVBGESA-N 424.264 5.131 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)N1 587716413 ZYGIWNRIRQLIDS-ZKANADHPSA-N 422.647 5.884 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccncc3)cc2F)N1 587725259 OENJOVBYOPSCTE-XUSGNXJCSA-N 415.281 5.413 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCSc2ccc(F)cc2)N1 587732346 MASRDLVVRBRMIL-BLVKFPJESA-N 412.343 5.659 0 1 HKAF CCOc1ccccc1-c1cccc(-c2nc3cc(Br)c(F)cc3[nH]2)c1 587780639 WTJUIJQCRMMVEE-UHFFFAOYSA-N 411.274 6.197 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2C(C2CCCCC2)(C2CCCCC2)N1 587821587 VZOSBLZVXXEWSA-OAHLLOKOSA-N 408.399 6.478 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc3ccccc3o2)(C2CC2)N1 587832778 KXMDNJLPZUNKOJ-QKVFXAPYSA-N 400.291 5.522 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1ccc2ccccc21 587859280 DMMIHXNJZBIIJG-UHFFFAOYSA-N 414.292 5.551 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1ccc(C)cc1 587863489 LJCRTEARMQWVHF-UHFFFAOYSA-N 406.429 5.318 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(-c2cccs2)nn1 587866406 BYWGAPFNPNVWED-UHFFFAOYSA-N 416.428 5.475 0 1 HKAF COc1nccc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c12 587948901 LFISZHMZXXKTAI-GQIGUUNPSA-N 407.514 5.251 0 1 HKAF Cc1ccccc1-c1ccc(Cc2nc3cc(Cl)cc(Br)c3[nH]2)cc1 587959920 SISZBXMMBFIOAP-UHFFFAOYSA-N 411.730 6.545 0 1 HKAF Cc1cc2c(cc1F)[C@@](c1cnc3ccccc3c1)(c1c(F)cccc1F)NCC2 962095156 WHKVLPLTFMORGS-VWLOTQADSA-N 404.435 5.398 0 1 HKAF COc1cccc([C@@]2(c3ccccc3C(F)(F)F)NCCc3c2sc(C)c3C)n1 963032702 UYVFPPZJEPNIJV-OAQYLSRUSA-N 418.484 5.225 0 1 HKAF CCOc1cc(Br)c([C@H]2NCCc3cccc(Cl)c32)cc1OCC 963390259 HCCATFZNBJYWJF-LJQANCHMSA-N 410.739 5.135 0 1 HKAF COc1c(F)cc(F)cc1-c1cc(Cl)cc([C@H](CC(=O)O)c2ncc(C)s2)c1 1772593150 OCDPYKSXEIVPPA-INIZCTEOSA-N 423.868 5.665 0 1 HKAF CC(C)(COc1ccn2c(CC3CC3)nnc2c1C(F)(F)F)c1ccc(F)cc1 1772600397 GVNMFLITEIDTLW-UHFFFAOYSA-N 407.411 5.196 0 1 HKAF Oc1c(Br)cc(-c2nc3cccc(Cl)c3o2)cc1Br 1772635009 IWKNPYORMCMKKU-UHFFFAOYSA-N 403.457 5.379 0 1 HKAF COc1cc(-c2ccc(C=CC(=O)O)cc2)cc(C2C3CC4CC(C3)CC2C4)c1OC 2356283697 XHLHNBBDBJVDRM-UHFFFAOYSA-N 418.533 6.008 0 1 HKAF CC(=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)[C@@H](C)C(C)C 2356553067 MNBTWOPOWPOHGH-NXAIXLIRSA-N 410.686 7.721 0 1 HKAF CC(C)CCC[C@@](C)(O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21CO 2356784953 QTQKNZXEFYEVDA-DKDMAXJASA-N 418.662 5.764 0 1 HKAF Cc1ccc(NC(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccccc2)c(Cl)c1 8611660 IPBLKDGHURAMSS-UHFFFAOYSA-N 419.912 5.173 0 1 HKAF O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(Cc2ccncc2)n1 13534793 BGJWGJFNDKCBQB-UHFFFAOYSA-N 424.287 5.665 0 1 HKAF Cc1cc(N[C@H](Cc2ccccc2)C(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1 13602482 BECVQSYLFSXWHG-HSZRJFAPSA-N 419.521 6.033 0 1 HKAF Cc1ccc([C@@H]2Oc3ccccc3N(CCCCCN3[C@@H](C)CCC[C@H]3C)C2=O)cc1 13834491 WKDRRRCCFURGGM-VRUMLPLGSA-N 420.597 5.895 0 1 HKAF COc1ccc(CN2CCC[C@H]2CO[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 27195152 XNWVCSRJIXXBRL-AZGAKELHSA-N 421.968 6.119 0 1 HKAF COc1ccc(Nc2cc3c(cc2C(C)C)C[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)C3)cc1 40393471 IJDJVLAEXYZSCH-ZRJLEYOISA-N 421.581 6.558 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@@H]3CC[C@]12C 40498158 YSWDCQJTPYALJE-ZQOKKQOZSA-N 404.635 6.742 0 1 HKAF Cc1cccc(Nc2ccccc2C(=O)OCn2c(=O)oc3ccc(Cl)cc32)c1C 43009890 VWIQQVKOEHBPLU-UHFFFAOYSA-N 422.868 5.423 0 1 HKAF Cc1ccccc1C1CCN(C2CCC(NC(=O)/C=C/c3cccc(F)c3)CC2)CC1 45202663 ORMVZNWHCMRVKA-NTEUORMPSA-N 420.572 5.454 0 1 HKAF C[C@H](Cc1ccc(Oc2ccccc2)cc1)NC[C@H](O)c1cccc(C(F)(F)F)c1 45227050 VEMKGZQACSFDPC-HXOBKFHXSA-N 415.455 5.752 0 1 HKAF COc1ccccc1[C@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(O)cc1 49808499 LPUQWNJVLYEPBX-FUPPJEDESA-N 422.481 5.246 0 1 HKAF FC(F)(F)c1ccc([C@H](c2cccnc2)N2CCC(Oc3ccccc3)CC2)cc1 72102040 TVUHMDAIYAYUDC-HSZRJFAPSA-N 412.455 5.733 0 1 HKAF Clc1ccc(Oc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1 72123479 IVHAGHYALPYDPQ-UHFFFAOYSA-N 407.901 5.865 0 1 HKAF Fc1ccc(/C=C/c2ccc(-c3ccc(I)s3)s2)cc1 72171010 VAOFILZLHDRHLZ-ZZXKWVIFSA-N 412.292 6.391 0 1 HKAF Clc1cccc(CNc2cc(Oc3ccc4oc5ccccc5c4c3)ncn2)c1 82067808 UMPLHISFPHROSG-UHFFFAOYSA-N 401.853 6.434 0 1 HKAF COc1cc(-c2n[nH]c3ccnc(-c4ccc(SC)cc4)c23)cc(OC)c1OC 82082709 AJKHNCSHGWQHKK-UHFFFAOYSA-N 407.495 5.040 0 1 HKAF CCC(CC)c1nc2c(NCc3cccc(F)c3)ncnc2n1CCc1ccccn1 82184682 RLLHKSQXEGZVGR-UHFFFAOYSA-N 418.520 5.119 0 1 HKAF CCCCCn1c(-c2cccc(O)c2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82184848 DHCJLOBYVLRDCB-UHFFFAOYSA-N 421.932 5.655 0 1 HKAF Cc1ccc(-c2csc(N[C@@H](CC(C)C)C(=O)NCc3ccc(F)cc3)n2)cc1 82197865 IJKNDYRLFMOSMJ-FQEVSTJZSA-N 411.546 5.401 0 1 HKAF O=c1c(/C=C/[C@H](O)c2ccc(F)cc2)coc2cccc(OCC3CCCCC3)c12 95598198 FYRVGWOXODMPCS-KVDXNUTJSA-N 408.469 5.638 0 1 HKAF Cc1ccc(/C=C/C[C@H]2C[C@@H]([C@@H](O)c3ccccc3)CO[C@@H]2c2ccccc2)cc1C 96921354 KUHSFXYVOZAGEF-LMLDXXQVSA-N 412.573 6.834 0 1 HKAF Nc1nc(-c2ccc(F)cc2)cc(-c2ccc(Nc3cc(=O)oc4ccccc34)cc2)n1 103166624 OIRGOSFGTDMPKF-UHFFFAOYSA-N 424.435 5.382 0 1 HKAF CSc1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)cc1 103868152 XJBIHLSSPMGGOI-SIBVEZHUSA-N 412.558 7.038 0 1 HKAF CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 104004149 CPPWNAVIQMFNFF-OAQYLSRUSA-N 407.901 5.490 0 1 HKAF Cc1c(S(=O)(=O)Nc2cccc(C(=O)OC(C)C)c2)sc2ccc(Cl)cc12 114593598 KFDXVRMGIJGIIU-UHFFFAOYSA-N 423.943 5.229 0 1 HKAF O=C1CC[C@H](c2ccccc2-c2ccccc2)N1Cc1csc(-c2ccccc2)n1 166886395 JIKLFQIVTQJSDI-XMMPIXPASA-N 410.542 6.341 0 1 HKAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2csc(C)n2)c1 167356178 LRUWAFBAMKJJRR-FOIQADDNSA-N 422.550 5.245 0 1 HKAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccc(OC)cc2)s1)C3 195232647 MJYUGDRYDHXYRF-RPVLSQHZSA-N 423.578 5.101 0 1 HKAF O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(CNCc2ccccc2)cc1 205325491 ONDNZJADEHITIN-UHFFFAOYSA-N 417.940 5.084 0 1 HKAF Cc1cc(N2CCc3sc(C(F)(F)F)cc3C2)cc(C)c1NC(=O)CC(C)(C)C 207538938 JVPVSXAVEXJSLY-UHFFFAOYSA-N 424.532 6.321 0 1 HKAF CN(C)[C@@]12CCN(Cc3ccccc3)[C@@H]([C@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 253673130 DJKNYMFRKAULGK-BVCLAAJDSA-N 410.605 5.923 0 1 HKAF O=C1C[C@@H](CCc2ccc3ncccc3c2)Oc2c(Br)cc(Cl)cc21 299826067 FHPLFMLSZOYSEL-OAHLLOKOSA-N 416.702 5.617 0 1 HKAF O=C(Nc1cccc(-c2ccc3ccccc3c2)c1)c1ccccc1Br 299841123 YBLBTRPVWDHMJF-UHFFFAOYSA-N 402.291 6.522 0 1 HKAF COc1cc(-c2nnc(C3=C(Cl)c4ccccc4CCC3)o2)cc(OC)c1OC 299871096 XSHMMJWXVGKSNM-UHFFFAOYSA-N 412.873 5.206 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(C(F)(F)F)ccc4Cl)nc13)-c1ccccc1C2=O 586991922 BLLGWOKITNQEGN-UHFFFAOYSA-N 423.821 7.094 0 1 HKAF O=C1c2ccccc2-c2c(CC3OCCCO3)c(-c3ccccc3)nc3ccc(O)c1c23 586992869 ZGRJGUYRIGVLEX-UHFFFAOYSA-N 423.468 5.124 0 1 HKAF Cc1ccc2c3c(cc(CC(=O)C(F)(F)C(F)(F)F)nc13)-c1ccccc1C2=O 586994289 XMGNVUQBJFLKMI-UHFFFAOYSA-N 405.322 5.064 0 1 HKAF COc1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cc1F 587011621 PZXSOKOURKTRAW-UHFFFAOYSA-N 410.495 6.478 0 1 HKAF Clc1ccccc1-c1nc(-c2nc3c(Br)cnc(Cl)c3[nH]2)co1 587063627 XRINPQWHYORSCX-UHFFFAOYSA-N 410.058 5.349 0 1 HKAF COC(=O)c1ccc(Oc2ccc3[nH]c(-c4ccc(Cl)c(Cl)n4)nc3c2)cc1 587084204 JFISBYRFKNZOIM-UHFFFAOYSA-N 414.248 5.511 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(OC(F)(F)F)ccc1C3 587103165 FZMCEDCMFGKRBY-UHFFFAOYSA-N 403.359 5.916 0 1 HKAF FC(F)Oc1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1 587130305 HMMYGEGBYXXIGX-UHFFFAOYSA-N 423.135 5.492 0 1 HKAF COc1cccc2cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c(=O)oc12 587208890 FCCLAYCGZVGKRQ-UHFFFAOYSA-N 405.409 5.228 0 1 HKAF Clc1ccc(COc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)c(Cl)c1 587209057 HKBXQQCPOSJBPD-UHFFFAOYSA-N 406.312 6.886 0 1 HKAF Cc1cc2nc(-c3ccc(NC(=O)Cc4ccccc4C)cc3O)[nH]c2cc1Cl 587241273 YTNAEJXDTCOEEW-UHFFFAOYSA-N 405.885 5.387 0 1 HKAF Cc1nc2ccncc2cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346786 NJNQPEKGEZQPGH-ILBGXUMGSA-N 414.436 5.057 0 1 HKAF C[C@@H]1C[C@H](c2ccccc2)C[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355794 WDIQWLJVZXYGJT-RIVHDMPDSA-N 416.492 6.233 0 1 HKAF COc1cccc(-c2c([C@H](C)C(=O)O)c(-c3ccccc3)nc3c2oc2ccccc23)c1 587367508 SKLODGGXUIJEFB-INIZCTEOSA-N 423.468 6.512 0 1 HKAF COc1cccc(-c2cc([C@@H](C)CCCCC(=O)O)nc3c2oc2ccccc23)c1 587367784 VSQZUSJXACPYNM-INIZCTEOSA-N 403.478 6.405 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)O2 587380141 BIGVQMOUTXZKBF-NVXWUHKLSA-N 419.321 5.156 0 1 HKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4cccc(F)c4)cc1)[C@@H](C2)C3=O 587426312 BZFSFXBAOMVSJI-OFVILXPXSA-N 404.437 5.076 0 1 HKAF CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1ccccc1 587439741 CIPRZQJGSVPJPL-FQRUVTKNSA-N 416.473 5.162 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cccc(O)c1)(c1cc(Cl)ccc1N)CC2=O 587462233 NTWLCZZZVNIZBK-XMMPIXPASA-N 423.896 5.195 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(CC)ccc21 587481652 NEFNVNZDVJFGBQ-MHZLTWQESA-N 412.485 5.361 0 1 HKAF C[C@@]1(c2ccc(C3CCCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601418 FXAOUTAQOFCCOP-IGKIAQTJSA-N 414.501 6.317 0 1 HKAF CCOC(=O)c1c(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]c2ccc(F)c(Cl)c12 587632544 ZLBDWHVGYJFLTI-UHFFFAOYSA-N 424.900 5.252 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(Br)c2)N1 587732931 OPUGVWHRXCONCB-PWJLMRLQSA-N 417.091 5.113 0 1 HKAF CCn1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587753214 AIHPSZRWPKJNDA-YEJXKQKISA-N 401.323 5.361 0 1 HKAF COc1ccc2ccccc2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587805389 DIAAJOSVHGJVIE-QKVFXAPYSA-N 400.291 5.374 0 1 HKAF CCOc1cccc2cc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)oc12 587830784 USHPAKCYQDNQAS-LAJNKCICSA-N 418.306 5.531 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccc(C)c(C)c1 587862548 REOHZOQLSQHSIE-OAHLLOKOSA-N 418.415 5.302 0 1 HKAF C=C(C(=O)O)c1cc(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O 587942049 UGIFPEVFDSZQPU-UHFFFAOYSA-N 417.459 5.253 0 1 HKAF CC(C)=CCCCCCCCCC/C(C)=C/CO[P@](=O)(O)OP(=O)(O)O 653869520 DZNGETDNKXGZMI-SAPNQHFASA-N 412.400 5.636 0 1 HKAF COc1ccc2c(c1)[C@](CC(C)(C)C(=O)O)(c1cc(C)ccc1C)N(C(C)C)CC2 962095905 XLCJGRXXMQMYQA-SANMLTNESA-N 409.570 5.323 0 1 HKAF CCCc1ccc([C@]2(c3cnc4ccccc4c3)NCCc3ccc(F)c(C)c32)cc1 962377459 RKMOQIMZOVTPJD-MUUNZHRXSA-N 410.536 6.072 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cccc(-c3ccccc3Cl)c2)N1 962955179 XRXDZLWHFWMIFF-SIBVEZHUSA-N 400.953 6.676 0 1 HKAF CCCCOc1ccc(Br)cc1[C@@H]1c2c(F)cccc2C[C@@H]2CCCN21 963109735 PWNHATPIBHZAKZ-HTAPYJJXSA-N 418.350 5.877 0 1 HKAF COC(=O)c1cc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2nc1Cl 1857633153 WPSXRWFRMDOYJL-UHFFFAOYSA-N 412.917 5.220 0 1 HKAF CC1=C[C@H](CNCc2cccnc2)[C@@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 2356287010 VTQNUZCDPAOAKQ-YTFSRNRJSA-N 402.586 5.453 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356494037 PRKPDIRLXGMLSU-UBORPQKESA-N 400.691 7.491 0 1 HKAF CC(=CCN1[CH]N(C)c2ncnc(N)c21)CC[C@]1(C)C2=C(CC[C@H]1C)C(C)(C)CCC2 2356507136 PPRAJJACHIXBMX-BCHFMIIMSA-N 422.641 6.104 0 1 HKAF C[C@H](CC[C@@H](C)C(C)(C)O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356738574 VTJZYXUUWSKREG-LSTIAPGGSA-N 416.690 6.750 0 1 HKAF COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@@H](CNC4CCCCC4)C=C3C)[nH]c2c1 2356764997 HIUWVUDZECFMFH-MZKRTTBSSA-N 409.618 5.891 0 1 HKAF Oc1cc(NCCCN[C@@H]2CCCc3c(Cl)cc(Cl)cc32)nc2ccccc12 13487798 VEJXKZICMGOWHA-LJQANCHMSA-N 416.352 5.716 0 1 HKAF Cc1cc(N[C@@H](Cc2ccccc2)C(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1 13602479 BECVQSYLFSXWHG-QHCPKHFHSA-N 419.521 6.033 0 1 HKAF COc1ccc2c(c1NC(=O)C(C)(C)CCCCCCOCC(C)C)OCCC2=O 13742726 ZUKJAOVGAJDKQA-UHFFFAOYSA-N 419.562 5.248 0 1 HKAF C[C@]12CCC=C[C@@H]1[C@@H](c1ccc(F)c(Br)c1)N(Cc1ccccc1)C2=O 13830605 HBDGXYCVVBCCOG-ZNLUXHQJSA-N 414.318 5.644 0 1 HKAF CC(C)=CCOc1cc(O)c2c(c1CC=C(C)C)O[C@H](c1ccc(O)cc1O)CC2=O 14762620 SXRPAWKWQUYIOI-QHCPKHFHSA-N 424.493 5.364 0 1 HKAF biogenic,in-vitro O=C(O)C1(c2ccc3c(c2)C[C@H]([C@H](c2ccccc2)C2CCCCC2)[C@H]3O)CCCC1 26390798 UZODBMBKQTXYDM-CYXNTTPDSA-N 418.577 6.153 0 1 HKAF COc1ccc(-c2cc([C@@H]3[C@@H](c4ccc(Cl)cc4)C[C@@H]4CC[C@H]3N4C)on2)cc1 26826678 MZBDCJWEXVZTQQ-WKKBNRPRSA-N 408.929 5.738 0 1 HKAF O=C(O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 26946778 DPIMGXPIHCVDKS-UHFFFAOYSA-N 408.910 5.729 0 1 HKAF Clc1cccc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 27524859 XKXKWEGCLRZXPJ-SVBPBHIXSA-N 417.980 6.152 0 1 HKAF CC[C@@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc21 28563544 XQWUEDSGGNBHSG-IFMALSPDSA-N 405.494 5.412 0 1 HKAF COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)Cc2ccc(Cl)cc2)cc1 28570080 DGSHQCJWXTVVLT-FQEVSTJZSA-N 410.926 5.331 0 1 HKAF O=c1cc(-c2ccccc2)c2cc([C@@H](c3ccc(Cl)cc3)n3ccnc3)ccc2[nH]1 29549621 RHBIJCCFGBZWIO-RUZDIDTESA-N 411.892 5.683 0 1 HKAF Cc1cc2c(c(C)c1O)CC[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2 33969750 WZVWUSABZGIQJZ-RXYILKCJSA-N 416.690 8.532 0 1 HKAF in-man O=C(O)c1cccc(C2=C(c3cc(Cl)ccc3OCc3ccccc3)CCC2)c1 33988140 BHIIXYUVEXKWSO-UHFFFAOYSA-N 404.893 6.712 0 1 HKAF CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 34951108 ARVGMISWLZPBCH-WGDHXTRRSA-N 412.702 7.945 0 1 HKAF COC(C)(C)CCC/C(C)=C/COc1cc(O)c2c(c1)Cc1cc(C)cc(O)c1C2=O 40934453 VQCWKJINHIKPIZ-LZYBPNLTSA-N 424.537 5.462 0 1 HKAF CCCN(c1ccc(C)c(Br)c1)c1ncnc2cc(OC)c(OC)cc12 64447970 YGWHZRZZSLLHKT-UHFFFAOYSA-N 416.319 5.266 0 1 HKAF FC1(F)Oc2cccc(-c3ccc4nc(C5=NOC6(CCCCC6)C5)[nH]c4c3)c2O1 66099328 OVPYTYNSONHSIE-UHFFFAOYSA-N 411.408 5.379 0 1 HKAF CN(Cc1ccccc1)Cc1ccccc1CNc1ccnc2cc(Cl)ccc12 68201380 KCCAYCIGOLFFDQ-UHFFFAOYSA-N 401.941 6.132 0 1 HKAF CCCCC[C@H](C)NCc1coc(-c2ccc(OCC(=O)c3ccccc3)cc2)n1 72182770 FIROQHKSJZXONO-IBGZPJMESA-N 406.526 5.662 0 1 HKAF CC(C)CN(CC(C)C)C(=O)c1cnc(NC2CCCCC2)nc1-c1ccccc1 82133786 DJASICIRGBFMDL-UHFFFAOYSA-N 408.590 5.642 0 1 HKAF Cc1nc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccccc2)oc1C 82162707 GQWQOVQUUDRJQX-UHFFFAOYSA-N 412.537 6.325 0 1 HKAF CCCCCc1nc(-c2cnc(NC[C@H]3CCCO3)nc2-c2cccc(C)c2)oc1C 82173190 AWLKBURBVPSPIB-HXUWFJFHSA-N 420.557 5.739 0 1 HKAF Cc1nc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccccc2F)sc1C 82175931 YTQHUGUSYLEVIK-UHFFFAOYSA-N 422.504 5.817 0 1 HKAF Cc1nc(-c2cnc(NCCc3ccccc3F)nc2-c2ccccc2F)sc1C 82175943 KEZALDRIZNWIFY-UHFFFAOYSA-N 422.504 5.817 0 1 HKAF CS(=O)(=O)c1ccc2[nH]c(Cc3ccc(F)cc3)c(Cc3ccc(F)cc3)c2c1 84724292 UWOXOTHWFXQXHK-UHFFFAOYSA-N 411.473 5.031 0 1 HKAF O=C(O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(C2CCCCCC2)n1 95591592 NGLFZQRZNXSBMF-UHFFFAOYSA-N 418.537 6.356 0 1 HKAF CN1[C@H]2CC[C@@H]1C[C@H](O[C@@H](c1ccc(F)cc1)c1ccc(Br)cc1)C2 103267900 UYDBIVZVAQJVFB-IVAOSVALSA-N 404.323 5.319 0 1 HKAF Cc1ccc(-c2c([C@H](OC(C)(C)C)C(=O)O)c(C)nc3sc4c(c23)CCCC4)cc1 113122792 KGZUOAKLAQZEMA-QFIPXVFZSA-N 423.578 6.400 0 1 HKAF COc1cc2c(Nc3cc(Cl)cc(Cl)c3)nnnc2cc1OCCCCl 118203319 DFRACPWVGXPHHQ-UHFFFAOYSA-N 413.692 5.092 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@](C)(O)CC[C@@]43C)[C@@H]1CC=C2c1cncc(Cl)c1 141091900 GHXGGVKSLVDREB-PMGFKCFDSA-N 400.006 6.522 0 1 HKAF CCCC[S@@](=O)c1sc2nc(-c3nccs3)cc(-c3ccccc3)c2c1N 148069574 KXHHBYNKGJYZNF-MHZLTWQESA-N 413.593 5.577 0 1 HKAF CC(C)CC[C@@H](O)[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 169684337 LMMRHWWBNFVJIU-ANIKFLAESA-N 404.679 6.584 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccc(OC)cc2)cc1)C3 195082997 AMHYXJZDPUGVJV-MWLADIOUSA-N 417.549 5.039 0 1 HKAF COc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1 204020191 VDSMXTDMIJGCFT-UHFFFAOYSA-N 419.488 5.375 0 1 HKAF O=C(O)[C@H]1CC[C@H](c2cc3cccnc3c(-c3cccc(OC(F)(F)F)c3)n2)CC1 254092560 KQTBOQXYPPPCCB-HDJSIYSDSA-N 416.399 5.554 0 1 HKAF CCC/C=C/C[C@@H]1C/C=C/C=C(C)/C=C/C=C\[C@@H](O)[C@@H](O)/C=C(C)\C=C\C=C\C(=O)N1 255194330 ALYLZDHKQZUVDF-GPASIVIYSA-N 423.597 5.017 0 1 HKAF CC(C)C(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 255258860 PGLNLCWHYQYRGQ-HPKBGOHRSA-N 400.647 6.568 0 1 HKAF O=C(Nc1cccnc1Nc1ccc(F)cc1)c1cccnc1Nc1ccc(F)cc1 299819262 AMEJLQBMUIAMCH-UHFFFAOYSA-N 417.419 5.494 0 1 HKAF Fc1ccc(Nc2ccnc(NCCNc3ccnc4cc(Cl)ccc34)n2)cc1 299831331 JCFDOTAVILKJAD-UHFFFAOYSA-N 408.868 5.085 0 1 HKAF c1ccc2c3ccn(CCCCCCn4ccc5c6ccccc6nc-5c4)cc-3nc2c1 377820932 MSKHZKJIIIDYDG-UHFFFAOYSA-N 418.544 6.856 0 1 HKAF CCc1ccc(-c2nc3cc(Oc4ccc(C(=O)OC)cc4)ccc3[nH]2)cc1CC 586878337 DMEOYLZYCNNZCC-UHFFFAOYSA-N 400.478 5.934 0 1 HKAF CCCCCOc1cc2nc(CCc3cccc(O)c3)[nH]c2cc1Br 586896663 HPIURYGWHDKSQM-UHFFFAOYSA-N 403.320 5.385 0 1 HKAF Cc1oc2c(c1-c1nc3ccc(Br)c(C(F)(F)F)c3[nH]1)C(=O)CCC2 586902638 DVNPLTHWDACHSN-UHFFFAOYSA-N 413.193 5.432 0 1 HKAF COC(=O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1 586974088 BDVJBUUHVNUTNB-UHFFFAOYSA-N 400.059 5.086 0 1 HKAF O=C(O)c1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cnc2ccccc12 586988689 WGURUXYYWNTAIR-UHFFFAOYSA-N 418.408 5.065 0 1 HKAF CC(C)CCCCCCCCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586990387 CUPMKSGMXXGSFJ-UHFFFAOYSA-N 415.577 7.471 0 1 HKAF CC(C)(Oc1ccc(Br)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 586995885 KMODOOZJGDLENM-UHFFFAOYSA-N 415.209 5.538 0 1 HKAF COC(=O)c1ccc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c2c1OC 587015173 ZMRMCEIRNRPYJP-UHFFFAOYSA-N 413.886 5.110 0 1 HKAF Nc1c(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)sc2cc(Br)ccc12 587031901 QKFOLUATRRSPQU-UHFFFAOYSA-N 414.662 5.721 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CN(Cc1ccccc1)C[C@H]4C)-c1ccccc1C2=O 587096591 IGQKIUWGOSEWRV-GOSISDBHSA-N 404.513 5.874 0 1 HKAF Cc1ccc2c3c(cc(-c4cscc4Br)nc13)-c1ccccc1C2=O 587101749 MBAXKQWFLZWYOM-UHFFFAOYSA-N 406.304 6.246 0 1 HKAF O=C(O)Cc1c(-c2ccc(F)c(Cl)c2)nc2cccc3c2c1-c1ccccc1C3=O 587103631 METQSBDIZDFNAY-UHFFFAOYSA-N 417.823 5.533 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2ccco2)[C@@H]1c1ccc(F)cc1 587337503 RUAWXWOYEMSUHN-NOZRDPDXSA-N 418.395 5.566 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)Cc2c(Cl)cccc2C3)c1 587359735 IULNYFZBQXGULR-UHFFFAOYSA-N 411.888 6.805 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1ccc(F)cc1Cl)O2 587385758 PTMUACGMYMYLTJ-JOCHJYFZSA-N 411.860 5.655 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(CNC(=O)OC(C)(C)C)cc1)CC2=O 587467683 BPUVHEUOBAMEHN-OAQYLSRUSA-N 411.498 5.076 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccccc3F)nc3sccn13)CC2=O 587469124 WKTDRLWOFOUHPM-LJQANCHMSA-N 422.481 5.567 0 1 HKAF COc1ccc2c(c1Br)CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587495274 CNYMFJPFZDQPAG-QFIPXVFZSA-N 413.311 5.143 0 1 HKAF O=C1C[C@@]2(CCCCc3cc(Br)ccc32)Oc2c1ccc1c2CCCC1 587495780 FOSXMGLDERKCRA-HSZRJFAPSA-N 411.339 5.915 0 1 HKAF O=C1C[C@@H](c2c(-c3ccccc3F)nc3sccn23)Oc2c1ccc1c2CCCC1 587504871 NZDAYGDCPGIAQA-FQEVSTJZSA-N 418.493 5.787 0 1 HKAF COC(=O)c1ccccc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587521858 CVYIAELKXHYZKE-MHZLTWQESA-N 412.485 5.261 0 1 HKAF CCOC(=O)c1[nH]c2ccc(CC)cc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587525474 MMFKJJKRNQZMQA-QFIPXVFZSA-N 417.505 5.492 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(Cl)c1Cl 587544647 NDZDZNCVSNRAOE-QRWLVFNGSA-N 403.217 5.108 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(SC(F)(F)F)c1 587556979 PRGCRQSHVDYWJV-FXAWDEMLSA-N 418.392 5.707 0 1 HKAF CC(C)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587580405 XQFNAMAXVWXRPB-ZEQKJWHPSA-N 413.473 5.706 0 1 HKAF CCc1ccc(CC(C)(C)[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587603673 QURAVHPFEKRSIU-DHLKQENFSA-N 402.490 5.554 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(c1cccs1)c1cccs1 587613366 OIVNTOJZAJWXOU-LJQANCHMSA-N 406.484 5.421 0 1 HKAF COc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 587616444 KFCUOKSKWMDVHA-RCZVLFRGSA-N 414.413 5.364 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(C2CC2)oc2ccc(O)cc12 587619792 ZHTRDAPJGYLPLC-BWKNWUBXSA-N 414.413 5.424 0 1 HKAF CC[C@H](C)c1ccc2[nH]c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c(C(=O)OC)c2c1 587640474 APKVPOGLYTYAQR-DOTOQJQBSA-N 414.546 5.583 0 1 HKAF CCCc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)sc1C 587661248 MNOXSGIUHWAHTG-UHFFFAOYSA-N 406.482 5.214 0 1 HKAF CCCCCCC(=O)n1nc(-c2ccc(OCC)c(OCC)c2)c2ccccc2c1=O 587668651 BASYICZJAMVAHV-UHFFFAOYSA-N 422.525 5.472 0 1 HKAF COc1c(F)cc(F)cc1CC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587722565 SQWXZOXAERQDAT-MGPLVRAMSA-N 414.265 5.083 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccc(F)cc3)s2)N1 587736765 UETDXGJELAPRSZ-XTZNXHDOSA-N 421.310 5.474 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccccc3)nc2)N1 587773741 RTRWCSHGJNTXGX-LRTDBIEQSA-N 413.290 5.399 0 1 HKAF COc1ccc([C@@]2(C(C)(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587805037 CWOMQODZFPDDCO-YEJXKQKISA-N 406.339 5.421 0 1 HKAF CC(C)c1ccc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1 587806190 VMKCYJFIYXPLPB-LAJNKCICSA-N 401.323 5.817 0 1 HKAF Cc1c(C)c(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C 587813448 CWZUSVXKQHXWDA-SAHAZLINSA-N 404.367 5.928 0 1 HKAF COc1ccc([C@@]2(c3ccco3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587831693 XYSFEFGVZADJHT-YEJXKQKISA-N 416.290 5.016 0 1 HKAF CCc1cccc2sc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)nc12 587863618 FFXVGRIBDLWOPW-UHFFFAOYSA-N 403.429 5.739 0 1 HKAF COc1ccc(C[C@@H](C)c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1OC 587926130 IPRTXLWULHGSEG-QGZVFWFLSA-N 402.494 5.505 0 1 HKAF COc1ccc(/C=C/Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)c(OC)c1 587930250 RPQOQSVKDORSSZ-RMKNXTFCSA-N 400.478 5.415 0 1 HKAF O=C(NC1CCCCC1)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1 653707785 RDWJZBHFYQILCP-UHFFFAOYSA-N 407.297 5.667 0 1 HKAF Cc1cccc(C)c1[C@H]1CCC[C@@]2(C1)NC1(CC1)Cc1ccc(Br)cc12 961319308 HOFLWMPHPUAGBG-CYFREDJKSA-N 410.399 6.297 0 1 HKAF c1ccc(N2CCN3[C@H](Cc4ccccc4[C@@H]3c3cnc(C4CCCC4)s3)C2)cc1 962630578 KDKKQXIWCYQABN-RCZVLFRGSA-N 415.606 5.637 0 1 HKAF CCOc1cc(Br)c([C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)cc1OC 963101261 JSOSXEOMVJYODR-VFNWGFHPSA-N 420.322 5.105 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1ccc(Sc2ccccc2Cl)nc1 963110297 QMXQBWNHXAOGLW-WZONZLPQSA-N 410.945 6.135 0 1 HKAF O=C(O)CCCC[C@@]1(c2c(F)cccc2F)NCCc2c(Cl)cc(Cl)cc21 963122844 ORUISXDKYRECRA-HXUWFJFHSA-N 414.279 5.306 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCCCOC)c1ccc(C(F)(F)F)cc1 963245146 ZWLDUKCTDJYMRL-NTKDMRAZSA-N 419.531 6.422 0 1 HKAF Oc1ccc2c(c1)[C@@](c1cnc3ccccc3c1)(c1ccc(Cl)cc1Cl)NCC2 963344123 YWAOAIRANGGHKO-XMMPIXPASA-N 421.327 5.685 0 1 HKAF CC(C)(C)c1ccc(-c2cc3c(cc2O)CC[C@@H]2[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]23)cc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n1ccc2c(C(=O)N3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@H]43)cccc21 2356747528 BFXPEPYEGLMSDT-COLUHYSYSA-N 417.597 5.257 0 1 HKAF NC1=NC[C@@H](CC2CCCCC2)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 61947273 SLUMMLFVNUPJEW-QGZVFWFLSA-N 421.429 5.236 0 3 HKAF O=C(CCCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)N1CCCC1 602015 FZWURHPZIJCZOY-UHFFFAOYSA-N 424.535 5.265 0 1 HKAF investigational CCCC[C@@H]1c2cc(OC(C)C)ccc2O[C@H](c2ccc3c(c2)OCO3)[C@H]1C(=O)O 13473503 MVZGLBPQBYRJRW-MQNAVGNWSA-N 412.482 5.311 0 1 HKAF CCCCOc1cc2ncnc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OC 13490844 VEIBHHUMKCAIHI-UHFFFAOYSA-N 420.538 5.993 0 1 HKAF COc1cc(CN2CCCCC2)cc(OCCCNc2nc3ccccc3s2)c1 26502897 DKFMCPKNUURVNM-UHFFFAOYSA-N 411.571 5.172 0 1 HKAF CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NCC2CC2)c1 28649178 QLYZKDZSXPJFFF-UHFFFAOYSA-N 417.634 6.541 0 1 HKAF CCOc1ccc([C@@H]2N=NC(C3=C(O)c4ccccc4C3=O)=C[C@@H]2c2ccccc2)cc1 34133054 YVXPJXPFXRUBAW-RDGATRHJSA-N 422.484 6.426 0 1 HKAF biogenic Nc1cc(N)c2nc(-c3ccccc3)c(NCc3ccc(Cl)c(Cl)c3)nc2c1 40420362 NNGOKNNYOCPIFG-UHFFFAOYSA-N 410.308 5.380 0 1 HKAF COc1cc(-c2ccccc2)ccc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 40914071 ZTDYQKUESCYGDA-UHFFFAOYSA-N 411.505 5.258 0 1 HKAF c1ccc2sc(Nc3ccc(CCNc4ncnc5ccsc45)cc3)nc2c1 49016155 PZFWQQTZBMFVCE-UHFFFAOYSA-N 403.536 5.699 0 1 HKAF Cc1cc(F)ccc1[C@@H](Nc1ccc(Cl)cc1Cl)C(=O)CCc1ccncc1 52595154 MOFJKCQTXASYEE-JOCHJYFZSA-N 417.311 6.191 0 1 HKAF CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(-c3cc(F)cc(F)c3)ccc21 62224796 HLEYPFUJALMVDA-VWLOTQADSA-N 411.467 5.887 0 1 HKAF CC(C)N(C(=O)CC[C@@]1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21)C(C)C 72109106 WWMMWNXFPQKJHN-RUZDIDTESA-N 421.972 5.734 0 1 HKAF CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCC2CC2)nc1-c1cccc(C)c1 82145806 XNZTZVAYLGYHHO-UHFFFAOYSA-N 414.553 5.245 0 1 HKAF COc1ccc(-c2csc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccco3)n2)cc1 84757492 ASGFFBMAPPBLJN-QFIPXVFZSA-N 415.518 6.076 0 1 HKAF C[C@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C 96086670 OOTXFYSZXCPMPG-DJRORNMDSA-N 412.746 9.134 0 1 HKAF in-vitro Fc1ccc(Cl)cc1-c1nc2ccn(Cc3ccc(OC(F)(F)F)cc3)cc-2n1 100068540 BKCNZKBXZBOXPV-UHFFFAOYSA-N 421.781 5.789 0 1 HKAF COc1ccccc1N1[C@@H](c2ccccc2)[C@]12C(c1ccccc1)=Nc1ccccc12 103276234 HUKGLBIOHJMAPH-SRBHEWTHSA-N 402.497 6.286 0 1 HKAF CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccn2)C2=C(O)CC(C)(C)CC2=N1 104006812 VVJVHENHIYLHDX-QFIPXVFZSA-N 405.473 5.304 0 1 HKAF CCCOC(=O)c1cccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)c1 114593660 RSQKCZFFZNTMRQ-UHFFFAOYSA-N 423.943 5.231 0 1 HKAF C[C@@H](NC(=O)N1CCc2ccccc2[C@H]1c1ccc(C(F)(F)F)cc1)C(F)(F)F 141990330 OGMWZDQYXGKSBP-SJKOYZFVSA-N 416.365 5.313 0 1 HKAF CNC(=O)c1ccc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cc1Cl 144763894 VFBRTEJXNSQCHQ-OAQYLSRUSA-N 417.814 5.145 0 1 HKAF COc1cc2ccccc2nc1COc1ccc(-c2nn(C)cc2-c2ccncc2)cc1 169326631 DMJIVIUKEVILJD-UHFFFAOYSA-N 422.488 5.285 0 1 HKAF Cc1ccc(O)cc1CC[C@H]1[C@@H]2CC[C@H]([C@@](C)(O)CCCC(C)C)[C@@]2(C)CC[C@H]1O 238760099 KTYZDHZUHRTLRD-DSKHAUODSA-N 416.646 6.014 0 1 HKAF CCN1CN(CC)[C@H](c2cc(Cl)cc(Cl)c2)[C@H]1c1cc(Cl)cc(Cl)c1 253671901 NAJIOAZQNDXDTB-RTBURBONSA-N 418.195 6.698 0 1 HKAF C[C@H](CO)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O 261497566 OQIJRBFRXGIHMI-MUSOPHRCSA-N 420.678 5.412 0 1 HKAF endogenous,in-man Cc1cc(NC(=O)Nc2cc(C3(C(F)(F)F)CC3)nn2-c2ccccc2)ccc1F 299820959 FGDZDUOUXXUQNC-UHFFFAOYSA-N 418.394 5.558 0 1 HKAF O=S(=O)(Cc1nc(-c2cccs2)c2sccc2n1)c1cccc(Cl)c1 299841063 XQUHGCMIFSAIOU-UHFFFAOYSA-N 406.941 5.047 0 1 HKAF Clc1ccc(-c2nc(-c3ccccc3)c(Cc3nc4cccnc4[nH]3)s2)cc1 587013142 ILVYFJPVUBTGSI-UHFFFAOYSA-N 402.910 5.993 0 1 HKAF Oc1nc2cc3nc(-c4csc(-c5cc(Cl)cc(Cl)c5)n4)[nH]c3cc2[nH]1 587015359 NBWVMJBEBRHENT-UHFFFAOYSA-N 402.266 5.242 0 1 HKAF O=C(Nc1sc2c(c1-c1nc3ncc(F)cc3[nH]1)CCC2)c1ccccc1Cl 587031011 NLEWBENLVZYRBJ-UHFFFAOYSA-N 412.877 5.220 0 1 HKAF COC(=O)c1cc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cn1 587071945 NVIMRVDDKCLVNL-JVJSVBTBSA-N 416.308 5.417 0 1 HKAF Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3ccccc3[nH]2)cc1 587075223 GCGKJRAILOLGPF-ICFOKQHNSA-N 407.904 6.918 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CCN(Cc1ccccc1)CC4)-c1ccccc1C2=O 587097212 MHXLMGQWRJFVJB-UHFFFAOYSA-N 404.513 5.355 0 1 HKAF FC(F)(F)c1cc(-c2cccc(-c3nc4cnncc4[nH]3)c2)cc(C(F)(F)F)c1 587111786 PDLGJTGTJZPZNZ-UHFFFAOYSA-N 408.305 5.725 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(/C=C/c4ccc(C)c(F)c4)[nH]c3c2)cc1 587146546 PRSMGOQABVKQDP-LFYBBSHMSA-N 402.425 5.760 0 1 HKAF Cc1cc2c(cc1C)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587360293 USHHIAFCWWQTCT-UKILVPOCSA-N 404.437 5.185 0 1 HKAF COc1cc2c3c(c1)OC1([C@H](c4ccccc4)CCC[C@H]1c1ccccc1)[C@@H](C2)C3=O 587447407 RMRUIJCPSIOQMN-HJOGWXRNSA-N 410.513 5.933 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(F)ccc1SC(C)(C)C)CC2=O 587465812 GVYSHMVHUAEGAT-HSZRJFAPSA-N 402.531 6.255 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-c3cccc(C(=O)O)c3)c1)CC2=O 587492863 YWAFQJVQOINZAM-AREMUKBSSA-N 416.473 5.591 0 1 HKAF CCOC(=O)[C@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502773 BBXRLQJLPMTUPI-JOCHJYFZSA-N 418.411 5.008 0 1 HKAF COC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)cc1 587514727 JPCLSEVRQSVXBY-DEOSSOPVSA-N 413.473 5.121 0 1 HKAF O=C1C[C@@H](c2cn(-c3ccccc3)nc2-c2cccnc2)Oc2c1ccc1c2CCCC1 587516100 QRVAYBZDWJVZIY-VWLOTQADSA-N 421.500 5.520 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1ccc(F)cc1 587571399 NYBRCAHZICMGHS-BVAGGSTKSA-N 412.416 5.901 0 1 HKAF CCCCCc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587603183 NNKOSPBCGWWLIM-BVAGGSTKSA-N 402.490 6.002 0 1 HKAF Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)s1 587611394 IHTVIICHRDBIKA-NZQKXSOJSA-N 420.511 6.194 0 1 HKAF CCOC(=O)C(=O)c1c(-c2ccc(Br)cc2)[nH]c2c(C)cc(Cl)cc12 587623284 DRQQCCNGPDAPRE-UHFFFAOYSA-N 420.690 5.305 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(C)(C)C)(c2ccc(Cl)cc2)N1 587698749 JDVZOGMYHCGFQF-YEJXKQKISA-N 424.785 6.456 0 1 HKAF CC[C@@]1(c2ccccc2OC(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587713520 DLIGAPXBTZDUHL-WYRIXSBYSA-N 414.265 5.377 0 1 HKAF Cc1ccc(C(F)(F)F)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587715217 XHJPRBWTXOIWJX-BMLIUANNSA-N 402.229 5.539 0 1 HKAF CC(=O)c1cccc(CC[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F 587725992 HEECRGQOJLAMCS-JEOXALJRSA-N 408.286 5.138 0 1 HKAF CCC[C@H](CC1(c2nc3ccc(O)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781453 JYDXATLOORUDGT-LJQANCHMSA-N 406.526 5.630 0 1 HKAF COc1ccc(-c2cccc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)c2)cc1O 587787150 PYTASAATONGJNB-UHFFFAOYSA-N 422.484 6.190 0 1 HKAF COc1cccc([C@@H]2CCCC[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)c1 587810677 UDWRMMPCXACPST-SDYXESRWSA-N 418.350 5.684 0 1 HKAF Cc1ccc([C@]2(c3ccco3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587831916 YTCHPSUVQOVSOX-IVZQSRNASA-N 414.318 5.624 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncnc2sc(C)c(C)c12 587867276 WCFXEUABANOEMP-UHFFFAOYSA-N 418.444 5.578 0 1 HKAF O=C(c1ccccc1)c1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587955238 IWRQAIYLXUBIQQ-DEOSSOPVSA-N 402.497 6.169 0 1 HKAF COC(=O)c1cc(Br)c2[nH]c(Cc3cccc(-c4ccccc4)c3)nc2c1 587962101 RIMFYPDQUWAMKQ-UHFFFAOYSA-N 421.294 5.370 0 1 HKAF CCOC(=O)c1c(CSc2ccccc2Cl)[nH]c2c1cc(O)c1ccccc12 653701021 DSFGUFSQHQCQIQ-UHFFFAOYSA-N 411.910 6.149 0 1 HKAF CCC/C=C/C[C@@H]1C/C=C/C=C(C)/C=C/C=C\[C@H](O)[C@@H](O)/C=C(C)/C=C/C=CC(=O)N1 653745663 ALYLZDHKQZUVDF-HXYKJABBSA-N 423.597 5.017 0 1 HKAF COc1ccc(C[C@@H]2CCC[C@@]3(C2)c2cc(OC)c(OC)cc2C[C@H](C)N3C)cc1 962621289 IWQAIKLXHREBST-STTRJGPESA-N 409.570 5.217 0 1 HKAF CN(C)C(=O)c1ccc2c(c1)[C@@](CCCCC1CCCCC1)(c1ccccn1)NCC2 962928859 TZLRXPJJZRZZIE-MHZLTWQESA-N 419.613 5.313 0 1 HKAF CC(C)[C@@H](c1ccccc1)[C@]1(C)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962951231 FRLYASOZRGUULX-XZOQPEGZSA-N 417.515 6.012 0 1 HKAF FC(F)(F)c1cccc2c1[C@@]1(CCCc3c(Cl)cccc31)NCC21CCOCC1 962964674 YVWWAYZUHGZJCU-QFIPXVFZSA-N 421.890 5.590 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)CC(=O)Nc1ccc(Br)cc1 963239074 JBJZOTBMJLRXCM-ZHRRBRCNSA-N 415.375 5.350 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(C)=O)C2=CCC[C@]23C)C1(C)C 1772586453 ZLVGIBKAALPONG-OCPGGJLVSA-N 416.602 5.839 0 1 HKAF Cn1cc(C(=O)C(=O)N2CCCCC2)c2cc(-c3ccc(Cl)cc3Cl)ccc21 1772656521 GPJMLRVSRJKCFV-UHFFFAOYSA-N 415.320 5.347 0 1 HKAF CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2c(cnn2C)c1)c1ccccc1 1857573927 PSINVMUWFHXKSA-GSDWXQOLSA-N 408.501 6.040 0 1 HKAF CC(=CCC=C(C)CCC(=O)c1ccoc1)CCC[C@@H](C)C=C1OC(=O)C(C)=C1O 2356306948 UWSLJFNKQQLOEZ-LJQANCHMSA-N 412.526 6.604 0 1 HKAF C[C@@H]1CO[C@@]2(C[C@@H]3[C@@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)O2)[C@@H](C)C1 2356540244 REGABMXOVFDEIY-JJNOYDMVSA-N 416.646 5.794 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@](C)(CCC2=CC(=O)OC2)[C@@H]2CCC=C(C)[C@@]21C 2356569534 YZGKWHGGADYHRU-WPMHCKOESA-N 400.559 5.537 0 1 HKAF CC(C)=CC(=O)O[C@@H]1C=C2C(=O)O[C@H](c3ccoc3)C[C@@H]2[C@]2(C)CCCC(C)(C)[C@H]12 2356660255 CSCPSRSJYZJSKL-MIEANKSBSA-N 412.526 5.534 0 1 HKAF CC(C)=CC(=O)OC=C[C@@H]1c2cc(C)oc2[C@]2(O)COC(C)(C)[C@@H]3CC[C@@]1(C)C[C@H]32 2356711590 HHCQPXDZMHHIQI-PDERJYMOSA-N 414.542 5.127 0 1 HKAF C[C@@H]1[C@H]2C3=CC[C@@H]4[C@H](CC[C@@H]5[C@@H]4CC[C@H](O)C5(C)C)[C@@H]3CC[C@@]2(C(=O)O)CC[C@H]1C 2356727977 VIJDACBFDIHGDH-JQWSTBRBSA-N 414.630 5.919 0 1 HKAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCc1ccccc1OC 4295225 KNCZRXAUMCMENE-SFTDATJTSA-N 400.544 5.087 0 1 HKAF Cc1cc(C)c(NC(=O)CCC(=O)N2Cc3ccccc3Oc3ncccc32)c(C)c1 8597998 VUFVOVOVIYHPNX-UHFFFAOYSA-N 415.493 5.065 0 1 HKAF S=C1Cc2c(-c3ccccc3)cc(-c3ccc(Cl)cc3)nc2-c2ccccc2N1 13222604 ICVTZPMDEQDCID-UHFFFAOYSA-N 412.945 7.031 0 1 HKAF Fc1ccc(CN2CCC(CCNC(c3ccccc3)c3ccccc3)CC2)cc1F 13862278 YRINJANLFJZAOU-UHFFFAOYSA-N 420.547 5.946 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3C(=O)C=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 25552085 YIKKMWSQVKJCOP-FLQDCOEMSA-N 400.647 6.568 0 1 HKAF CCO[P@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCOCC1 26269085 SOAMWHSBCPTDDV-AREMUKBSSA-N 402.456 5.025 0 1 HKAF CCC(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 28128194 HXOQSHHECMXJDS-UHFFFAOYSA-N 417.336 7.113 0 1 HKAF CCN(CC)CCC[C@H](C)Nc1nccc(NCc2ccc(Cl)cc2Cl)n1 28523632 STXUPEUBCKDDQA-HNNXBMFYSA-N 410.393 5.318 0 1 HKAF CC1=NC(C)=C(C(=O)O)[C@H](c2cccc(Cl)c2)/C1=C(\O)OC/C=C/c1ccccc1 28568177 UULGDZGGKIVPDB-SEQIXAESSA-N 423.896 5.756 0 1 HKAF C[C@@H](Nc1cc(-c2ccc3ccccc3c2)nc2ccccc12)[C@@H](O)c1ccccc1 29486295 XISAPCWSOWCRRT-WHLCRQNOSA-N 404.513 6.589 0 1 HKAF CN(C)CCCc1cccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc12 36311409 DJTHUZBSMUZELM-UHFFFAOYSA-N 408.933 5.151 0 1 HKAF CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 40165451 XGIZPVUTLMXXTK-PBIAUGEVSA-N 416.690 6.894 0 1 HKAF endogenous,in-man CCCCOc1cc2c(cc1OCC)C(/C=C/c1ccc(Cl)cc1Cl)=NCC2 45227330 FVNJFVMQOYVQHR-VQHVLOKHSA-N 418.364 6.630 0 1 HKAF O=C(CSc1snnc1-c1ccc2ccccc2c1)Nc1cccnc1Cl 45291545 JWPFZTJAMIYKAV-UHFFFAOYSA-N 412.927 5.138 0 1 HKAF Cc1cc([C@@](O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)ccc1F 49070549 FQPJRGDRIOAJCS-OAQYLSRUSA-N 418.365 5.410 0 1 HKAF C[C@@H](CCOC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1 49785648 MNMGHGKHINQBJG-HFZDXXHNSA-N 405.582 5.322 0 1 HKAF O=C(CCCN1CCC(c2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCCCC2 73169307 ODJZNQUAMUEYPG-UHFFFAOYSA-N 410.001 6.451 0 1 HKAF CC[C@@H](C)Nc1ncc(C(=O)N(CC)Cc2cccc(C)c2)c(-c2ccc(F)cc2)n1 82140276 QLYJICCOBKIISN-GOSISDBHSA-N 420.532 5.464 0 1 HKAF CCc1cnc(-c2cnc(NCc3ccc(C)cc3)nc2-c2ccccc2C)s1 82177658 GRZGLNYVCYGRLN-UHFFFAOYSA-N 400.551 6.058 0 1 HKAF Cc1csc(Nc2ncc(Sc3ccccc3)cc2OCc2ccccc2)n1 96284834 XVJWONNYLHHEQI-UHFFFAOYSA-N 405.548 6.320 0 1 HKAF COc1cc(OC)c2c(c1)O[C@H](c1ccc(OC(=O)Nc3ccccc3)cc1)CC2=O 98085466 BOFVWCQVLDFIAQ-FQEVSTJZSA-N 419.433 5.021 0 1 HKAF NC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3CCc2ccccc2)c2ccccc2)cc1 100819072 QHJZNRSKPHVMHF-KAYWLYCHSA-N 422.572 5.457 0 1 HKAF Cc1ccc2nc(-c3ccccc3N3C(=O)CS[C@@H]3c3ccc(F)cc3)[nH]c2c1 103208337 FTTWNTQABKNCMZ-HSZRJFAPSA-N 403.482 5.456 0 1 HKAF CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(Cl)cc2)C2=C(O)CC(C)(C)CC2=N1 103993115 ZFUJRPZZGWGWPN-NRFANRHFSA-N 413.945 6.270 0 1 HKAF Cc1cc(-c2cn[nH]c2)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 113657885 XHPBTXUIIKKTCV-UHFFFAOYSA-N 419.532 5.705 0 1 HKAF Fc1ccc(CC2CCN(c3nc4cc(F)ccc4nc3NC3CC3)CC2)c(F)c1 144386886 WGYLCJJUUUNFIU-UHFFFAOYSA-N 412.459 5.081 0 1 HKAF O=C1C[C@H](c2ccc(Cl)cc2Cl)C[C@@H]2Sc3ccc(Cl)cc3C(=O)[C@@H]12 169292634 PZKSLHZFBRDKRX-WQHZUCTMSA-N 411.737 6.067 0 1 HKAF C[C@H]1C=C2[C@@](C)(CC[C@H]3[C@@]2(C)CC[C@H]2C(C)(C)C(=O)CC[C@@]23C)[C@@H]2CC(C)(C)CC[C@@H]12 238736033 FXOCQCYCKZXBIJ-PZPDXVKZSA-N 424.713 8.233 0 1 HKAF C1=C(Cc2ccccc2)CCN(CC[C@H](c2csc3ccccc23)N2CCCC2)C1 299824739 WWEXFJSAHWQFBA-AREMUKBSSA-N 416.634 6.303 0 1 HKAF CCCCCc1cc(O)cc(OCCCCCCCCCCCNC(=O)C2CC2)c1 299829911 MVNBONISBQVJRA-UHFFFAOYSA-N 417.634 6.541 0 1 HKAF O=[S@](Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)C(c1ccccc1)c1ccccc1 586958150 DJMMCUYRMNSFHC-MUUNZHRXSA-N 416.880 5.533 0 1 HKAF CCCC(Br)(CCC)c1nc2c(Br)cnc(Cl)c2[nH]1 586970841 KBYKGKFVLGSOGI-UHFFFAOYSA-N 409.553 5.564 0 1 HKAF Cc1c(-c2ccc(OC(F)(F)F)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586997511 YUHJWOIWPMQUHE-UHFFFAOYSA-N 419.402 6.629 0 1 HKAF CC(C)n1c(-c2nc3c(Cl)cncc3[nH]2)cc(Br)c1Br 587005307 SGFYYJCQNBJXGN-UHFFFAOYSA-N 418.520 5.186 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(F)c(F)cc2[nH]1)c1cccc(Cl)c1 587072466 XXPGJBAQLAQRIL-HNNXBMFYSA-N 407.848 5.303 0 1 HKAF Cc1cc(Br)cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc12 587075268 AWAOEJZGEKSCTO-UHFFFAOYSA-N 414.690 5.722 0 1 HKAF CC(C)Oc1cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2cc1Br 587076457 MJZZWQCMGCNJBP-UHFFFAOYSA-N 419.750 6.236 0 1 HKAF Clc1cc(-c2nc3ccc(I)cc3[nH]2)c2ccccc2n1 587084633 DXZCDZUNIYMPDG-UHFFFAOYSA-N 405.626 5.036 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(SCC(F)F)cc3)nc3cccc1c23 587104371 SMZKLESHVXGYTN-UHFFFAOYSA-N 403.453 6.470 0 1 HKAF FC(F)(F)c1cc(Cc2nc3ccnc(Br)c3[nH]2)cc(C(F)(F)F)c1 587109107 AXUTVEJGLJIIQL-UHFFFAOYSA-N 424.142 5.349 0 1 HKAF C[C@@H](c1nc2ccc(C(C)(C)C)nc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128776 QBDQFOUVOBMCHB-ZETCQYMHSA-N 403.811 5.590 0 1 HKAF COC(=O)c1cc2[nH]c(-c3ccc(F)c(-c4ccc(C(C)=O)cc4)c3)nc2cc1OC 587139207 BOTJLZBMLKOBDN-UHFFFAOYSA-N 418.424 5.034 0 1 HKAF CC(C)COc1cc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1Br 587150298 BXXGYDSTTQNRCX-STQMWFEESA-N 421.285 5.910 0 1 HKAF O=C(c1ccccc1)c1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587151508 ZLJVFLYVMWIHHX-VWLOTQADSA-N 421.475 6.135 0 1 HKAF Nc1ccccc1-c1ccc(-c2nc3c(I)cccc3[nH]2)cc1 587249543 BUNVFHFWAPDDGG-UHFFFAOYSA-N 411.246 5.084 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCc3c2[nH]c2ccc(F)cc32)[C@@H]1c1ccc(F)cc1 587329091 CFKDOZYUXCGQSH-RCZVLFRGSA-N 417.411 5.352 0 1 HKAF Nc1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1-2 587338105 QLMDRNHWUIZQPY-SQHAQQRYSA-N 423.443 5.397 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCc3c(Cl)cc(F)cc32)[C@H]1c1ccc(F)cc1 587338607 TYJUITGEZIKMRB-JTHBVZDNSA-N 412.819 5.524 0 1 HKAF CC(C)(C)[C@]1(Cc2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340869 UPSMBPGXTHQNIQ-WIOPSUGQSA-N 405.469 5.313 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C(F)(F)F)cc4)o1)[C@@H](C2)C3=O 587419584 CZIBHLVVLYPKHS-YCRPNKLZSA-N 400.352 5.463 0 1 HKAF C[C@@]1(c2cccc(-c3ccccc3Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587504047 IDRWZSWFLNQYLY-SANMLTNESA-N 402.921 6.766 0 1 HKAF Cc1ccc(-c2nc3ccccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587513676 DSJGRNLDNZQVJK-DEOSSOPVSA-N 422.528 6.203 0 1 HKAF Cc1cc(CN2CCCC[C@@H]2C)c(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587517674 RYIHOJNCACJKNM-PPHZAIPVSA-N 417.593 6.263 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(Cl)c1Cl 587554751 JCTYALDUPIXLQA-MGPUTAFESA-N 405.208 5.541 0 1 HKAF CC[C@H](C)Oc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC 587592245 GDHIVAPEHSXBMU-UNGHYCQRSA-N 420.461 5.281 0 1 HKAF CC(C)[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601963 VZYRDJPWIYMJCF-HOFKKMOUSA-N 416.517 6.203 0 1 HKAF Cc1ccc(C2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 587604957 WGIRHANKSVENQD-GFXGUTMFSA-N 400.474 5.759 0 1 HKAF O=C(c1cccc(Cl)c1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587656127 BARLLSUJUFDNGZ-UHFFFAOYSA-N 413.235 5.198 0 1 HKAF Cc1ccc(Br)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587678543 OAIXQOXQOWKOHB-QGHHPUGFSA-N 413.128 5.283 0 1 HKAF COc1c(Cl)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587692712 LNQRLWIPDQTQRB-VPTHRUTESA-N 419.121 5.527 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCc3ccc(Cl)cc32)N1 587696318 JVVBTTZIISRJKP-MPBGBICISA-N 408.742 5.746 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(F)(F)F)c2F)N1 587711881 MZYUCHLFOVCORL-BCTVWOGZSA-N 406.192 5.370 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccc(F)cc3)cs2)N1 587735042 OOQSNHSGIHVYGK-XTZNXHDOSA-N 421.310 5.474 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2N2CCCCC2)N1 587769643 YTKFWCXSOBFOOH-SZNDQCEHSA-N 403.339 5.202 0 1 HKAF Cc1cccc([C@]2(c3ccccn3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587773353 QSNSHAIHLKMMOK-QRQCRPRQSA-N 411.318 5.118 0 1 HKAF COc1ccc([C@H]2C[C@@H]2[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587804273 AJRYTSFYKYVDKB-RNTRLXRYSA-N 404.323 5.150 0 1 HKAF COc1ccccc1[C@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810966 YQCQTMYKXXOANX-ZSEKCTLFSA-N 406.339 5.421 0 1 HKAF CCCCCC[C@]1(c2ccc(O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587832474 JQYQAMUJPBGORK-OYHNWAKOSA-N 420.366 6.042 0 1 HKAF Cc1nc(C(C)(C)C)sc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587853412 QYFLVHIVGMTFIW-GIGQVBGESA-N 411.384 5.448 0 1 HKAF Cc1sc2ccccc2c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587857293 ZLZYAGFIOYHGJP-YBTHPKLGSA-N 404.348 5.909 0 1 HKAF Fc1ccc2c(c1)-c1cc(n(-c3ncc(C(F)(F)F)cc3Br)n1)O2 587873931 MDPMRALYBQAAPO-UHFFFAOYSA-N 400.129 4.960 0 1 HKAF O=C(c1sc2ccccc2c1-n1cccc1)n1nc2cc1Oc1ccc(F)cc1-2 587876609 RSTAVMPXLOSZPZ-UHFFFAOYSA-N 401.422 5.489 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(Cc3ccc(Cl)cc3)n2)cc1 587922371 CNZDTNFKTHZVLT-UHFFFAOYSA-N 418.924 7.342 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2c(Cl)ncnc2[nH]1 587948575 FKMYYOFTWQOEQB-JKIFEVAISA-N 412.921 5.291 0 1 HKAF COC(=O)c1cc2nc(/C=C(/C)C3CCCCC3)[nH]c2c(F)c1Nc1ccccc1 587968811 ULWNZLDGXJZWBX-SQFISAMPSA-N 407.489 6.216 0 1 HKAF C[C@]1(Cc2c[nH]c3ccccc23)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962960559 SDEAPWLSRDKXPH-JOCHJYFZSA-N 414.471 5.296 0 1 HKAF Cc1ccnc2c1CCN[C@H]2c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1 963076934 URFLFRMQNZALRV-NRFANRHFSA-N 403.284 5.863 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@]2(CCc1ccc(F)cc1)c1ccccc1F 963256461 CHPFGIFAFHBPPR-XMMPIXPASA-N 413.895 5.649 0 1 HKAF O=C1CCS[C@H](c2cccc(F)c2)N1CCNc1ccnc2cc(Cl)ccc12 1772571071 XZIFBGYPJXHOSD-OAQYLSRUSA-N 415.921 5.104 0 1 HKAF C[C@@H](N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cccc2ccccc12 1857538209 WIYDYKWLBJKUNO-AEFFLSMTSA-N 400.444 5.668 0 1 HKAF O=c1c2ccccc2nc(-c2sc3ccccc3c2Cl)n1-c1ccc(F)cc1 1857746458 JWMJMYMNUCSSCW-UHFFFAOYSA-N 406.869 6.060 0 1 HKAF CC(C)(C)c1ccc(CCn2cnc3c(NCc4ccccc4Cl)ncnc32)cc1 1857763323 AKWXDSRSJKAVEQ-UHFFFAOYSA-N 419.960 5.632 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1ccc2cnncc2c1 1857766907 OKVJFGYRJGEZIK-PKGHVVLQSA-N 402.582 6.037 0 1 HKAF C[C@@H](c1ccc(C(=O)N2CCc3ccc(C(F)(F)F)cc32)cc1)N1CCCCC1 1911582950 PWEFJRIMPYDTQK-INIZCTEOSA-N 402.460 5.455 0 1 HKAF C[C@@H]1CC[C@]2(C)[C@H](C)CC[C@H](O)[C@]23CC[C@@H]2[C@@H](c4c[nH]c5cccc(c45)C2(C)C)[C@@H]13 2356382955 TYGWKVZJNJYVND-JAWAWOIKSA-N 405.626 6.782 0 1 HKAF Cc1ccc(F)c([C@H]2[C@@H]3C=CC[C@@H](c4ccccc4)[C@H]3C(=O)N2Cc2ccccc2)c1 261120510 JKQUHEGFTUFCCP-UOOXCUFBSA-N 411.520 6.194 0 3 HKAF CSC1(c2cc(F)cc(OCc3ccc(-n4ccnc4C)cc3)c2)CCOCC1 580631 ORSZWGHHZJLJEN-UHFFFAOYSA-N 412.530 5.268 0 1 HKAF O=C(Nc1sccc1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1658365 JCRIJYUMBLYPGI-UHFFFAOYSA-N 412.319 5.140 0 1 HKAF COc1cccc(-c2ccc(/C=C/[C@@H]3[C@@H]4[C@@H](C)OC(=O)[C@@H]4C[C@@H]4CCCC[C@H]43)nc2)c1 13673181 SMUIFSYAABCDNU-JTJSXPQVSA-N 417.549 5.774 0 1 HKAF CCCCCN1CCc2cc(C(=O)CCC3CCN(Cc4ccccc4)CC3)ccc21 13737835 GDTZPIJTUNXMBK-UHFFFAOYSA-N 418.625 6.114 0 1 HKAF O=C(O)[C@@H](CCCCCc1ccc(Cl)cc1)Oc1ccc(C2CCCC2)cc1 13907549 IBPKLRNZCCLAME-HSZRJFAPSA-N 400.946 6.633 0 1 HKAF investigational O[C@H](c1cc(-c2ccc(Cl)cc2)nc2c(C(F)(F)F)cccc12)[C@H]1CCCCN1 27523228 SVTJOSIFLMVFJH-WIYYLYMNSA-N 420.862 5.750 0 1 HKAF OC1(c2ccc(Cl)cc2)CCN(CCC(c2ccccc2)c2ccccc2)CC1 28396603 RKUUVJYLJXYLRY-UHFFFAOYSA-N 405.969 5.846 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@H]([C@H]1CCCC(C)=C1C)Oc1c(F)cc(F)cc1-3 38730359 KSNTUZZVDDRCSZ-QYBDOPJKSA-N 421.531 7.809 0 1 HKAF Clc1ccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)cc1Cl 40430034 TVUMZAYTKKSFRM-OAQYLSRUSA-N 414.336 5.706 0 1 HKAF CNCCNCc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 45202815 HTAGZSVLVCXPKO-UHFFFAOYSA-N 424.470 5.225 0 1 HKAF Cc1ccc2c(c1)c(=O)n(Cc1ccccc1)c(=S)n2[C@H](O)/C=C/c1ccccc1 49072819 FJEPFGCCGHQIFP-SERSOLAASA-N 414.530 5.094 0 1 HKAF CC(C)(C)OC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CCCCCC2 69058821 MFNSCGHTVORIRJ-UHFFFAOYSA-N 400.544 6.006 0 1 HKAF C[C@H]1CC[C@@H](C)N1C(=O)CC[C@@]1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21 72108899 KAOVBRDISLYFNF-FUMQJTLXSA-N 419.956 5.488 0 1 HKAF Cc1cccc(-c2nc(NCc3cccc(Cl)c3)ncc2C(=O)N2CCCCC2)c1 82145968 DYERCSIPHGYZCV-UHFFFAOYSA-N 420.944 5.344 0 1 HKAF CCc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2)s1 82162650 XRMBKORUOZPDCM-JHOJWFKBSA-N 418.610 6.312 0 1 HKAF Cc1ccc(CNC(=O)CCCNc2nc(-c3cc4ccccc4o3)cs2)cc1 82195722 AEDLQRRRLKELEP-UHFFFAOYSA-N 405.523 5.373 0 1 HKAF O=C(O)c1csc(-c2ccc(C[C@@H](C(=O)c3ccccc3)c3ccccc3)cc2)n1 84586929 XERPIZMHGPHYJL-OAQYLSRUSA-N 413.498 5.718 0 1 HKAF CCCCC[C@H](CCCC)[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O 85624748 CABQQMKYOHAMAC-REWPJTCUSA-N 406.563 5.611 0 1 HKAF biogenic,in-vitro C[C@]1(c2cc(Cl)cc(CC(=O)c3cc4ccccc4s3)c2)CCSC(N)=N1 96174343 SJQKPHVDMVONOX-OAQYLSRUSA-N 414.983 5.647 0 1 HKAF Clc1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2Cl)cc1 96940291 PALSHEPRTJCZIX-UHFFFAOYSA-N 408.332 6.517 0 1 HKAF CC[C@H](C)Sc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1cccc(OC)c1 100703514 LJKQSKJROLDMDZ-SJCJKPOMSA-N 411.527 5.295 0 1 HKAF O=c1cc(-c2ccc(/C=C/c3ccc(Cl)cc3)cc2)sc(N2CCOCC2)c1 101075166 QXBKQUYCKZUCKD-OWOJBTEDSA-N 409.938 5.436 0 1 HKAF Oc1cc(OCc2ccc3ccccc3n2)ccc1[C@]1(c2ccccc2)C[C@@H]2CC[C@@H]1C2 101132684 KNYWUTUCLAODJW-XCSROIPSSA-N 421.540 6.626 0 1 HKAF c1ccc(CNCCCn2c3c(c4cc(CNc5ccccc5)ccc42)CCCC3)cc1 103298951 FMUJIHMJPQOHFS-UHFFFAOYSA-N 423.604 6.312 0 1 HKAF FC(F)Oc1ccc(-c2nnc3cncc(OCc4cccc5ccccc45)n23)cc1 103302890 XGANTNHUKSSASO-UHFFFAOYSA-N 418.403 5.125 0 1 HKAF OC1=C2C(=Nc3nc(SCc4ccccc4)nn3[C@H]2c2cccc(F)c2)CCC1 103948235 LIWZVWLWVMWBSN-FQEVSTJZSA-N 406.486 5.381 0 1 HKAF O=C(O)c1ccc2nc(-c3ccccc3)c(-c3cccc(OC(F)(F)F)c3)nc2c1 144505472 AWJFCVVCZQGEBH-UHFFFAOYSA-N 410.351 5.561 0 1 HKAF COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccccc2)c(Cl)c1)C3 195102289 AQWNEEQYGAZQAV-VDEHSNQHSA-N 421.968 5.684 0 1 HKAF COC1CCC2(CC1)Cc1ccc(CCC3CC3)cc1[C@@]21N=C(N)c2c(F)cccc21 204984427 UTHSLPJVFNILFB-LTVJGXQLSA-N 418.556 5.262 0 1 HKAF CCCCc1n(Cc2ccc3ccccc3n2)cc[n+]1Cc1ccc2ccccc2n1 230842812 PHQOIVHXKPHYCO-UHFFFAOYSA-N 407.541 5.311 0 1 HKAF Fc1ccc2c(CCCN3[C@H]4CCC[C@H]3c3c([nH]c5ccc(F)cc35)C4)noc2c1 253674434 SVUPKIFOEXQRAR-AOMKIAJQSA-N 407.464 5.672 0 1 HKAF C[C@@H](CCC[C@@H](C)CC[C@H]1[C@H](C)CCCC1(C)C)CC(=O)Nc1ccc(O)cc1 253684979 UUDJTOPCDKTLHE-WHLIWEHUSA-N 401.635 7.406 0 1 HKAF CC[C@@H](/C=C/[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 255214612 HCXVJBMSMIARIN-OJRBQCEJSA-N 412.702 7.801 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc([C@H]2CC2(F)F)nn1-c1ccccc1 299825657 MYYXEZYNUOTVSQ-OAHLLOKOSA-N 422.357 5.658 0 1 HKAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cccc(Cl)c4[nH]3)c2)cc1 586931552 YDDXMBDXGGWAQU-UHFFFAOYSA-N 411.914 5.017 0 1 HKAF O=Cc1cc(Br)cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 586982609 MNLWELZXQLGCCZ-UHFFFAOYSA-N 403.585 5.477 0 1 HKAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc5ccccc5cc4[nH]3)c2C1 587034969 QVEFOPVAKGFHFN-UHFFFAOYSA-N 405.523 5.738 0 1 HKAF CC(C)Oc1cc2nc([C@H]3SCCc4sccc43)[nH]c2cc1Br 587037107 SCMOFXCWFFIBJK-INIZCTEOSA-N 409.374 5.553 0 1 HKAF Cc1onc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)c1COc1ccccc1Cl 587063814 YNHBTHTWKCRIEP-UHFFFAOYSA-N 409.660 5.461 0 1 HKAF Cc1ccc2c(ccc3nc(-c4cncc(-c5cc(Cl)cc(Cl)c5)c4)[nH]c32)n1 587069693 DZZBAJLINGBNEO-UHFFFAOYSA-N 405.288 6.455 0 1 HKAF Clc1cccc(COc2ccc(/C=C\c3nc4cc5c(cc4[nH]3)OCCO5)cc2)c1 587069723 GRXWBODZADUAAP-TWGQIWQCSA-N 418.880 5.737 0 1 HKAF FC(F)(F)c1cc(Cl)c2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 587073394 HMKUUOKGGOCXSZ-INIZCTEOSA-N 414.258 6.226 0 1 HKAF Fc1c(Br)ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 587091707 NRJQLKCWYMNAQF-UHFFFAOYSA-N 406.202 5.181 0 1 HKAF O=C(O)Cc1c(-c2ccc(F)cc2F)nc2cccc3c2c1-c1ccccc1C3=O 587103251 JMRWFPVJAXZTMO-UHFFFAOYSA-N 401.368 5.019 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(F)cc(Br)c1C3 587104278 PJIWWGKBHOBFFT-UHFFFAOYSA-N 416.249 5.919 0 1 HKAF COc1cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)nn1-c1ccccc1F 587155214 BJLLSYIGMRDIKA-UHFFFAOYSA-N 410.758 5.236 0 1 HKAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cccc(OCc3ccccc3)c2[nH]1 587175869 XJEQLDWLROQROI-LJQANCHMSA-N 400.457 5.005 0 1 HKAF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1 587231993 KGUALAQAQFDMMR-UHFFFAOYSA-N 409.411 5.199 0 1 HKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cccc(Br)c3[nH]2)c1 587238733 NDBWBWUTQOOCEG-UHFFFAOYSA-N 407.315 5.935 0 1 HKAF CC(C)Oc1cc2[nH]c(-c3ccc(-c4ccccc4N)cc3)nc2cc1Br 587250891 RJONXFNEZCCGEO-UHFFFAOYSA-N 422.326 6.029 0 1 HKAF Cc1ccc(Cl)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1F 587337349 VIMSTKDTYQWODE-WMZHIEFXSA-N 414.835 5.907 0 1 HKAF COc1cccc(-c2cc(-c3cc(C)c(C)cc3OC)nc3c2oc2ccccc23)c1 587362219 GZDAZTFZULWMND-UHFFFAOYSA-N 409.485 6.949 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(C(C)C)ccc2CC3)c1 587364671 ACDIMTGIPZFUBT-UHFFFAOYSA-N 419.524 7.546 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](c2ccccc2)C[C@H]3C)c1 587364724 BRSAVKDZEVFTSG-WIYYLYMNSA-N 419.524 7.490 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-c3ccc(C(F)(F)F)cc3)cc1)O2 587382717 RGOVNXUJTWLADS-HSZRJFAPSA-N 411.423 6.144 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)cc(C(F)(F)F)cc1Cl)[C@@H](C2)C3=O 587418969 FOPVBYNQXQZFKT-DYZYQPBXSA-N 403.183 5.510 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Oc4ccc(F)cc4)cc1Cl)[C@@H](C2)C3=O 587427933 KCDWEGXJWGJQEV-YADARESESA-N 424.855 5.943 0 1 HKAF O=C1C[C@@](c2ccc(Cl)cc2)([C@@H](O)c2ccccc2)Oc2c1ccc1c2CCCC1 587501632 PLWKDSXZDYXTJM-IZZNHLLZSA-N 418.920 5.813 0 1 HKAF CCCOc1cc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587505980 MXFNUFVBCUDORV-HXUWFJFHSA-N 400.902 5.723 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccsc2)nc1 587616925 HHDOMMIKWAUSFK-REWPJTCUSA-N 401.443 5.219 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2cccc(Cl)c2)N1 587700088 LOYJNWMTVCPEAS-WLRWDXFRSA-N 410.714 5.264 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccccc3)nc2)N1 587767808 BDRSTOBVJIZXNZ-ZSEKCTLFSA-N 413.290 5.399 0 1 HKAF FC(F)(F)c1cc(Br)c2[nH]c(COC/C=C\c3ccccc3)nc2c1 587781499 VKRMNWGVVLKQAA-DAXSKMNVSA-N 411.221 5.574 0 1 HKAF CCCOc1c(OCC)cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587789963 DJJUAKOEDIIFRE-RNODOKPDSA-N 422.338 5.399 0 1 HKAF CCCCCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587798023 XEJNVXNCFGDNPR-NYHFZMIOSA-N 420.366 6.171 0 1 HKAF Cc1cc2c(cc1C)[C@]1(CCCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587835291 OYVHBVNPCNFEAS-SPLOXXLWSA-N 404.323 5.155 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC=C2CSc2ccccc2)N1 587845910 OUYDDMBUEGCMRB-QKKBWIMNSA-N 418.375 5.830 0 1 HKAF CN(c1ccc(-c2csc(-c3ccc(OC(C)(C)C)cc3)n2)cc1)S(C)(=O)=O 587923980 WBJNXGGBFNMVSN-UHFFFAOYSA-N 416.568 5.050 0 1 HKAF COc1ccc([C@H](c2ccccc2)c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 587933128 KQXCSERINXTFDQ-FQEVSTJZSA-N 416.830 6.424 0 1 HKAF Cc1c2nc3ccccc3c-2ccn1CCCCn1ccc2c3ccccc3nc-2c1C 653843992 RSQKWDAFZQQZEG-UHFFFAOYSA-N 418.544 6.693 0 1 HKAF COc1cc2c(cc1OC)[C@](c1ccc(F)cc1F)(C1CCCC1)N(C)[C@H](C)C2 962624092 DHCPJWFTKGEAEF-OYLFLEFRSA-N 401.497 5.292 0 1 HKAF CC[C@@]1([C@H](C)c2ccccc2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962925100 PMPOSDBUVWSPIC-JWFGRAFASA-N 417.505 5.192 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](Cc2ccc(F)cc2)(c2cccc(F)c2)N1 962940009 CSCUZULRQWICLZ-RLWLMLJZSA-N 402.488 5.857 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cnn(-c3ccc(Br)cc3)c2)N1 962961363 UOHICTOSTZRUQT-KKSFZXQISA-N 421.342 5.130 0 1 HKAF Cc1ccc(C[C@@]2(C3CC3)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963190074 NVKZRLDOEQCHOP-FPOVZHCZSA-N 423.862 5.114 0 1 HKAF CCCCOc1ccc2ccccc2c1[C@H]1N[C@@H](C)Cc2c(OC)ccc(OC)c21 963614875 ZNLSCKXXCSLQBR-MRDQGFSESA-N 405.538 5.660 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1ccc2ccccc2n1 1772625103 UQLDADLQCJDNMK-XNTSIQLJSA-N 401.594 6.642 0 1 HKAF CC(C)=CCc1cc([C@H]2CCc3ccc(O)cc3O2)c2c(c1O)CC(C)(C)[C@H](O)C2 1772643700 XDDAFCNRNKKJFR-ISKFKSNPSA-N 408.538 5.159 0 1 HKAF Cc1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)n3c2CCO[C@H](CF)C3)cc(C)n1 1772647352 BGRBUCCEESMYPT-MRXNPFEDSA-N 420.315 5.447 0 1 HKAF Cc1nnc2n1-c1ccc(Br)cc1[C@H](Nc1ccc(Cl)cc1)CC2 1857544571 HPSDSCHZDSWQNW-MRXNPFEDSA-N 403.711 5.091 0 1 HKAF O=C(Nc1ccc(Oc2ccccc2)cc1)c1csc([C@@H](O)c2ccccc2)n1 1857614262 NKWGTWUENXUVSB-NRFANRHFSA-N 402.475 5.269 0 1 HKAF CC1=C(C=CC2=C3CC[C@H]([C@H](C)C=C[C@](C)(O)C(C)C)[C@@]3(C)CCC2)C[C@@H](O)CC1 2356391024 HYLCFKGHPPBTLL-PAWAVCGOSA-N 412.658 6.900 0 1 HKAF CC=C(C)C(=O)O[C@@H]1C[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@@H](C)[C@H]1OC(=O)C=C(C)C 2356549685 IDAAXBSMDRZVPD-FBAONFGXSA-N 414.542 5.105 0 1 HKAF CC(=O)OCC1=CCC[C@H]2[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@]12COC(C)=O 2356610483 MFHNNINMNRCKKL-WFBMQCHUSA-N 402.531 5.097 0 1 HKAF CCC[C@H](C)CCC[C@H](C)C(=O)C[C@H](O)[C@@H](C)CC=CC1=C(C)CCCC1(C)C 2356677808 JSSNFOHEHRIBDT-SZBRSHHCSA-N 404.679 7.658 0 1 HKAF COc1cc(O)c2c(c1[C@@H]1C=C(C)CC[C@@H]1C(C)C)O[C@@H](c1ccccc1)CC2=O 2356680976 AHSGBCHOIWPPDO-WOIUINJBSA-N 406.522 6.203 0 1 HKAF CCCC[C@@H]1CC[C@](CCc2ccc(O)c(OC3CCCC3)c2)(OC(C)=O)C[C@H]1O 2356770216 AODKBWKXEGJSHL-XRODADMRSA-N 418.574 5.299 0 1 HKAF CCC(C(=O)Oc1ccc(C(C)(C)CC(C)(C)C)cc1)(C(F)(F)F)C(F)(F)F 3189093 DLPTWZKMKBOCCQ-UHFFFAOYSA-N 412.414 6.827 0 1 HKAF biogenic COCCN(c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12)C(C)C 13553428 ONQJXVGEKOAYRQ-UHFFFAOYSA-N 407.345 5.112 0 1 HKAF CC[C@]1(c2ccc(COc3ccccc3)cc2)Oc2ccccc2-n2cccc2C1=O 13675329 VPJVIMRYVJNTLM-HHHXNRCGSA-N 409.485 5.937 0 1 HKAF Cc1cc(OCCCC(C)(C)C(=O)O)c(C)c(C)c1OCCCC(C)(C)C(=O)O 25977985 WGPOFMCIPHEKOE-UHFFFAOYSA-N 408.535 5.151 0 1 HKAF C[C@H](O)c1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C1CCCC1 26257428 SKNUELOYQKBUOU-INIZCTEOSA-N 414.509 5.641 0 1 HKAF CCOc1ccc(C2=NN(Cc3ccccc3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OCC 26569386 BGARLRUFQVBBEZ-NHCUHLMSSA-N 406.526 5.037 0 1 HKAF Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)CC[C@@H]2[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]23)cc1 26751360 VEYMIXRPQWARCJ-AHCIIZGASA-N 424.562 5.188 0 1 HKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)n2ccnc2)C(C)(C)CC[C@@H]1n1ccnc1 28637586 YATHTDAMJIBVQL-UPHILORZSA-N 416.569 6.103 0 1 HKAF O=C(Nc1ccc2ccccc2c1)c1ccnc(C(=O)Nc2ccc3ccccc3c2)c1 28708372 DFTJZLAWOGNURF-UHFFFAOYSA-N 417.468 5.893 0 1 HKAF C[C@H](C(=O)OCCc1ccccn1)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 39308664 MSITXWHXNVQEKN-QRFRQXIXSA-N 409.551 5.066 0 1 HKAF CCCCN1C(=O)O[C@H](COC(=O)C2CCCCC2)[C@H]1CCCc1ccccc1 40763126 QDCXLIJPKZALPK-FGZHOGPDSA-N 401.547 5.122 0 1 HKAF O=C(O)c1ccc2cc(-c3ccc(O)c([C@@H]4CCC[C@H]5CCCC[C@@H]54)c3)ccc2c1 40866039 IINPQDYJQFBRBA-GAZXMLTASA-N 400.518 6.985 0 1 HKAF Cc1[nH]c(C)c(-c2ccc(Oc3cccc(OC(F)(F)F)c3)cc2)c(=O)c1Cl 45228288 WTKMRPAPVMPLJW-UHFFFAOYSA-N 409.791 6.003 0 1 HKAF COc1ccc(Nc2ncnc3ccc(NC(=S)Nc4ccccc4)cc23)cc1 45260124 QHHOMWVVTWHQMJ-UHFFFAOYSA-N 401.495 5.191 0 1 HKAF CCO[C@H](c1ccc(Cl)cc1)[C@H](SC(C)(C)C)n1cnc(C(F)(F)F)c1 45366109 LWSRFXJJZKEECJ-CVEARBPZSA-N 406.901 6.363 0 1 HKAF COc1ccc(-c2ccncc2)c2cc(C(=O)Nc3ccc(Cn4ccnc4)cc3)oc12 49034926 HJLLHYBQKLBFIE-UHFFFAOYSA-N 424.460 5.001 0 1 HKAF CC[C@H](C1CC1)n1nc(C)nc(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)c1=O 49054415 TUHCWFMPQIBWGI-CYBMUJFWSA-N 421.250 5.377 0 1 HKAF O=C(COc1ccc(-c2cccc(Cl)c2)cc1)Cn1ccc2cc(C(=O)O)ccc21 49110269 HAYIGCQAIHFPDA-UHFFFAOYSA-N 419.864 5.308 0 1 HKAF CN1CCc2ccc([C@@H]3C[C@H]3c3ccc4cc(C(=N)N)ccc4c3)cc2[C@@H]1C(C)(C)C 58538670 MYVWVEULEWPQGP-KYPHJKQUSA-N 411.593 5.970 0 1 HKAF CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](c5c[nH]c(C=O)c5)CC[C@]4(C)C3=CC[C@@H]12 58592868 OSIJEJSDZVRPGU-MGAFGFTFSA-N 409.614 6.261 0 1 HKAF COc1cccc(Sc2cc3ccccc3[n+](CCCCCc3ccccc3)c2)c1 71317160 JTNOFXGOFYNLOB-UHFFFAOYSA-N 414.594 6.700 0 1 HKAF c1csc(CNc2nc(CN3CCC[C@H]3c3nccs3)nc3ccccc23)c1 71937217 VONUCBQVVICNET-SFHVURJKSA-N 407.568 5.097 0 1 HKAF CC1=Nc2ccc(-c3ccccc3)cc2[C@@H](c2ccccc2)N1CCN1CCCCC1 72123044 PKQKKWTWBCGHPC-MUUNZHRXSA-N 409.577 6.294 0 1 HKAF COc1cc(Nc2nc3c(s2)CCC[C@H]3c2ccccc2)ccc1-c1nnc(C)o1 73158055 VGHUJEFEILOOKQ-KRWDZBQOSA-N 418.522 5.722 0 1 HKAF Cc1noc(NC(=O)N2CCC3(CC2)CC(c2ccc(C(F)(F)F)cc2)C3)c1C 73170162 BTWWKCHJCQCZOR-UHFFFAOYSA-N 407.436 5.502 0 1 HKAF c1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@@H]32)cc1 95559504 CJFITVUYKIGKBQ-PBWSGDRGSA-N 403.550 7.416 0 1 HKAF Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccccc1-c1ccccc1 95584452 VZYWVZQASSRTRZ-UHFFFAOYSA-N 422.531 5.712 0 1 HKAF O[C@@H](C[C@@H](O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccccc1 95784750 GFOVXYXDEXXDMF-YADHBBJMSA-N 417.530 5.585 0 1 HKAF Cc1ccc(C(C)(C)C)c(SC2=C(O)C[C@H](CCc3ccc(O)cc3)OC2=O)c1 100365091 VRVUPLCGMXHTMC-SFHVURJKSA-N 412.551 5.808 0 1 HKAF O=C(NC(=O)c1c(Cl)cccc1Cl)OCc1ccc(-c2ccc(Cl)cc2)o1 103209054 YHRPTYQEUYFPBC-UHFFFAOYSA-N 424.667 5.973 0 1 HKAF CCCCCCc1cc2ccc(Br)cc2n1C(=O)C[C@@H](C)CC(=O)O 103270858 YJJINGSBPCSOOB-CQSZACIVSA-N 408.336 5.668 0 1 HKAF COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](Nc3ccccc3)[C@H]2C)OCO4)c1OC 105520895 GBOIKVXJSZURGV-DSZWUSLFSA-N 419.477 5.031 0 1 HKAF COc1ccc(Cc2cc([C@H]3[C@@H](c4ccc(Cl)cc4)C[C@@H]4CC[C@@H]3N4C)on2)cc1 169290868 XSHISTSQXDXEMK-APWUFGDNSA-N 422.956 5.661 0 1 HKAF CCCCS(=O)(=O)CCCCCCCCCCCOc1ccc(C(=O)O)cc1 169344832 CEVBDRKUODNIOB-UHFFFAOYSA-N 412.592 5.489 0 1 HKAF CCC[P@](=O)(Cc1cccc(Nc2cc(-c3ccccc3CC)ncn2)c1)OCC 169346870 VIDNWGHMNFOVGU-SSEXGKCCSA-N 423.497 6.674 0 1 HKAF CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C)C(C)C 255266864 SQDMPVUEHGQIMQ-IAJMQBSWSA-N 410.686 7.721 0 1 HKAF O=C(N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1)C1CCC1 261187571 XXUXRIDSKSDOGY-XYWHTSSQSA-N 408.586 5.477 0 1 HKAF FC(F)(F)Oc1ccc(O[C@@H](CC2CNC2)c2ccc(Cl)c(Cl)c2)cc1 299835355 DOQJYOJZNNPBRY-KRWDZBQOSA-N 406.231 5.622 0 1 HKAF CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(C2=CCCCC2)cc1 299857453 CXSKIHLYWQIEJV-DOEKTCAHSA-N 416.609 6.154 0 1 HKAF Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3ccc(F)cc3)C2)s1 299866432 OZJZNUZFPZGATF-NRFANRHFSA-N 419.550 6.675 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 586878705 JCFZVGWMNJKULJ-UHFFFAOYSA-N 408.360 5.225 0 1 HKAF Cc1c(Cl)ccc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c12 586981656 KRJYCRIAWCSSDO-UHFFFAOYSA-N 407.739 6.379 0 1 HKAF Cc1cc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2cc1F 587018543 GQIPRJZCERHQJL-UHFFFAOYSA-N 420.340 6.767 0 1 HKAF FC(F)(F)c1cc(C(F)(F)F)c2nc(-c3ccc(-c4nccs4)cc3)[nH]c2c1 587023988 UDUNEYNFOFUBEO-UHFFFAOYSA-N 413.346 6.391 0 1 HKAF CC(C)CCOc1cc2nc(Cc3csc4nccn34)[nH]c2cc1Br 587040415 KZPLAIUXARGNET-UHFFFAOYSA-N 419.348 5.050 0 1 HKAF CC(C)CCOc1cc2nc([C@@H](O)c3ccccc3Cl)[nH]c2cc1Br 587059342 OSVZSYYQOLSMEJ-SFHVURJKSA-N 423.738 5.485 0 1 HKAF Cc1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 587063862 ARAJPRFVKFWZDF-UHFFFAOYSA-N 401.897 6.225 0 1 HKAF Nc1ccc(-c2ccc3[nH]c(-c4ccc(-c5ccc(Cl)nn5)cc4)nc3c2)cc1N 587084927 JHTXPUOYOIBCPT-UHFFFAOYSA-N 412.884 5.172 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)c(F)c1 587144997 PWYWFAMAGVLLCZ-UHFFFAOYSA-N 402.469 6.340 0 1 HKAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1 587200994 TVQSWVNXHCZAQJ-UHFFFAOYSA-N 405.285 5.387 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](c2ccccn2)CCC3)c1 587364657 ZIWOREBSNOKPTM-IBGZPJMESA-N 406.485 6.520 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3ccccc3n1Cc1ccccc1Cl)O2 587377955 LEVBAJLDTNDWRS-JOCHJYFZSA-N 417.896 5.335 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3cccc(Cl)c3)c3ccccc13)O2 587378045 MCAOUMZFDMXLLO-XMMPIXPASA-N 416.908 5.940 0 1 HKAF Cc1cccc(-c2nn(Cc3ccccc3)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587389429 AVRSFMURSYHSAQ-VWLOTQADSA-N 423.516 5.504 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1NC(=O)OCc1ccccc1)O2 587390620 ONOOZEIVAPUPFT-QFIPXVFZSA-N 402.450 5.032 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4ccc(C)c(Cl)c4)cc1)[C@@H](C2)C3=O 587417593 CNCPNFKRXORIRJ-NBGIEHNGSA-N 404.893 5.987 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4cccc(C)c4)c(OC)c1)[C@@H](C2)C3=O 587442049 IFAGXDVTLQVPNL-FNZWTVRRSA-N 416.473 5.080 0 1 HKAF CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1ccc(Cl)cc1Cl)CC2=O 587459692 CSVUUJPAYOOILR-YRBAHSOBSA-N 420.336 5.588 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)c3ccccc3)cc1)CC2=O 587471409 RYAWSKABHHXRIA-AREMUKBSSA-N 415.489 5.478 0 1 HKAF CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1OCC 587496897 GRTFTGFZKONEEU-HXUWFJFHSA-N 400.902 5.723 0 1 HKAF Cn1nc(C(F)(F)F)c2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)sc21 587508438 OVRGUUCSXQCWEZ-OAHLLOKOSA-N 406.429 5.239 0 1 HKAF Cn1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nc2cc(C(F)(F)F)ccc21 587509432 SHCLRGSQQAAFDR-QFIPXVFZSA-N 414.427 5.352 0 1 HKAF CCOC(=O)[C@@H]1CC[C@H](c2ccccc2)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522228 GEYIKRRAWUEVOD-UFPGJGBJSA-N 404.506 5.026 0 1 HKAF Cc1cc(C)cc(OCc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1 587565174 ZSTAPNWDBBLKNA-UHFFFAOYSA-N 403.320 5.556 0 1 HKAF COc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 587616446 KFCUOKSKWMDVHA-WIOPSUGQSA-N 414.413 5.364 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3F)c(NC(=O)CCC(=O)O)c2c1 587640069 BLZLBDZOJCXGKH-LBPRGKRZSA-N 400.425 5.430 0 1 HKAF CCN(CC)c1ccc(-c2nn(-c3ccc(C)c(F)c3)c(=O)c3ccccc23)c(O)c1 587667327 JHVRWCYHASFDRB-UHFFFAOYSA-N 417.484 5.052 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/C=C/c2ccc(Cl)cc2)N1 587694067 GDIYHASLKGOLBO-REZSNFNYSA-N 406.726 6.087 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CSC(F)F)o2)N1 587722434 YQLXZKCLYWWIJT-ANRSDYALSA-N 406.267 5.261 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccc(F)cc3)on2)N1 587730951 GEZWYMYRSCXVQF-APBUJDDRSA-N 405.242 5.006 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(Cc3ccccc3)[C@H](C)C2)N1 587759618 HBRSYVOUBZTUHI-XCGNWRKASA-N 417.366 5.002 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](Oc3ccccc3)C2(C)C)N1 587806856 BGDJFNXKMANLRG-PJUBBZNESA-N 404.323 5.195 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2C2CCCCC2)N1 587821068 SRQUXPNWIIUKJG-JLCFBVMHSA-N 402.351 6.260 0 1 HKAF CC/C=C/C[C@H]1[C@H](CC(=O)O)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587829623 RNYXARJDJOEHIY-AGNCQHNZSA-N 424.354 5.175 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CC[C@H]2Cc2ccccc2C1 587832681 ZWPVBRFNRUKNMN-BVGQSLNGSA-N 400.335 5.143 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(O)cc3)cc2)N1 587833502 NYEWDTKWFBRTRX-MCMMXHMISA-N 412.302 5.584 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N)cc2)(c2cccs2)N1 587856028 XLCBXCYBKZVNQN-YUNKPMOVSA-N 417.347 5.058 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1cccc2ccccc12 587864624 NMZZDHMJBPBAIV-UHFFFAOYSA-N 424.422 6.004 0 1 HKAF COc1ccc([C@H](c2ccccc2)c2nc3cc(C)cc(Br)c3[nH]2)cc1 587933559 QLAVEIRRQVTMPL-FQEVSTJZSA-N 407.311 5.823 0 1 HKAF COCCCN1CCc2ccc(OC)cc2[C@]1(CC(C)(C)C)c1cc(F)cc(F)c1 961327072 SPLCTDBOSRDDMQ-VWLOTQADSA-N 417.540 5.548 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(Cl)cc2)(c2ccc(C)nc2)N1 962946764 JDBMVWCATRLMAS-NBGIEHNGSA-N 401.941 5.741 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CC(=O)C(F)(F)F)c1ccc(Cl)s1 963258141 NXZUEPBODAGRIW-DJJJIMSYSA-N 415.908 5.823 0 1 HKAF CC[C@H](C)Oc1c(OC)cccc1[C@@H]1c2cccc(Br)c2CCN1C 963278565 BQVLARMBZYAAJE-XOBRGWDASA-N 404.348 5.212 0 1 HKAF CN1CCc2c(Br)cccc2[C@@]1(C)c1cc(F)cc(Br)c1 963290157 UVASHDKTOMHZPI-QGZVFWFLSA-N 413.128 5.102 0 1 HKAF O=C(O)c1ccc(CNCc2cc3c(-c4ccc5ccccc5c4)cccc3s2)cc1 1772629592 YSQLRLSKRCCCEG-UHFFFAOYSA-N 423.537 6.710 0 1 HKAF COc1ccc(CN=c2[nH]nc(-c3ccccc3)c3ccc(C(F)(F)F)cc23)cc1 1857543009 QRYHQHQYWZTVFO-UHFFFAOYSA-N 409.411 5.358 0 1 HKAF CC(C)(C)c1cc([C@H](SC2CCCCC2)c2ccccn2)cc(C(C)(C)C)c1O 1857548960 DPNNYJZVJOLUOG-DEOSSOPVSA-N 411.655 7.538 0 1 HKAF O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2[C@@H]1c1cccnc1 1857569846 FUGVQSXDTPLNSI-SFHVURJKSA-N 404.322 5.630 0 1 HKAF O=C(NCC1CCC(F)(F)CC1)c1c(Cl)ccc2nc(N3CCCC3)ccc12 1857615203 MVVXTUQPDUPVCL-UHFFFAOYSA-N 407.892 5.044 0 1 HKAF CC(C)=C(C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356660742 RZAMOPONFAOTNS-OMFSDFRDSA-N 400.691 7.779 0 1 HKAF CC(=O)O[C@@H]1C=C2[C@H](CC[C@]3(C)[C@H]2CC=C2CO[C@H](O)[C@@H]23)[C@@]2(C)CCCC(C)(C)[C@H]12 2356799247 UFDBXWQFWFNVOO-ZPRSIQSZSA-N 414.586 5.018 0 1 HKAF C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(Br)cc1F 13661953 CIPDVFAPNIGCCR-SFJXLCSZSA-N 414.318 5.500 0 3 HKAF C1=N/c2ccc(cc2)/N=C/c2ccccc2OCc2cccc(n2)COc2ccccc2/1 5580369 MWNGRIIXXJKINO-LPHFKDDMSA-N 419.484 6.054 0 1 HKAF Cc1ccc(-c2cn3c(n2)sc2cc(C(=O)NCc4cccnc4)ccc23)c(C)c1 9406654 HATUYGHZGUGRCY-UHFFFAOYSA-N 412.518 5.158 0 1 HKAF CCCc1c(O)c(CCCOc2ccccc2)cc2c1C[C@@H](CCc1ccccc1)O2 13453363 QKEWWNWANRHBTQ-XMMPIXPASA-N 416.561 6.293 0 1 HKAF CC(C)Oc1ccc2c(c1)C(C1CCCC1)=C(C(=O)O)[C@@H](c1ccc3c(c1)OCO3)O2 13473460 FMCJZFZHWFVXMF-XMMPIXPASA-N 422.477 5.365 0 1 HKAF NC(=O)c1ccc2[nH]c(-c3ccc(Oc4cc(C(F)(F)F)ccc4F)cc3)nc2c1 13612086 RXUCRBVRFILDIS-UHFFFAOYSA-N 415.346 5.279 0 1 HKAF COc1ccc([C@@H]2Oc3ccc(Cl)cc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)cc1 13777178 DLEYVIMVXHWFBW-VWLOTQADSA-N 417.936 7.105 0 1 HKAF CCCCN(CCCC)CCCOc1ccc(-c2cn3cccc(C)c3n2)cc1OC 13819558 ONGHLCKTQZMJDM-UHFFFAOYSA-N 423.601 5.989 0 1 HKAF CCCC[C@H](CC)CCC[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 13835220 NFGYEXOOFKJDKY-DCBHDDJESA-N 412.658 7.366 0 1 HKAF Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1 14975678 IEDOQPJIOGYHSJ-UHFFFAOYSA-N 417.340 5.341 0 1 HKAF CCCCCOc1nc2ccccc2cc1[C@@H](O)CCCCCCCC(=O)OC 28528445 CIMVBEIFYVZLQH-QFIPXVFZSA-N 401.547 5.741 0 1 HKAF Cc1cc(Nc2nc(Sc3c(Cl)cccc3Cl)nc3ccccc23)n[nH]1 34230826 GYZHPLHOIMYBJI-UHFFFAOYSA-N 402.310 5.863 0 1 HKAF CC[C@H]1C=C2NC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@@H](C)CCCC(C)C)[C@H]21 36189400 YBSFMQHCAIWRPP-SSAQIHSOSA-N 413.690 7.348 0 1 HKAF CCCCCC[C@H](Sc1nc(Cl)cc(NCCc2ccccc2)n1)C(=O)O 40393176 BJBAGSHQHZYGGS-INIZCTEOSA-N 407.967 5.300 0 1 HKAF CC1(C)C=Cc2cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c3c(c2O1)OC(C)(C)C=C3 40865152 BDKFYPKEQKRWHD-IBGZPJMESA-N 420.461 5.173 0 1 HKAF biogenic COc1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(Br)cc32)c1 40893909 TVXILMSSFSASBV-MRXNPFEDSA-N 421.360 5.047 0 1 HKAF c1ccc(COc2ccc(-c3nnc(-c4ccccc4)n3-c3ccccc3)cc2)cc1 45314849 JVXWCOLBDGGPMF-UHFFFAOYSA-N 403.485 6.180 0 1 HKAF CCCO[C@H](c1ccc(Cl)cc1Cl)[C@@H](SC(C)(C)C)n1cnc(C)c1 45386435 CBJSFRYJPRQSJM-QZTJIDSGSA-N 401.403 6.697 0 1 HKAF COc1ccc2c(c1OC1CCCC1)OCC[C@H]2Nc1c(Cl)cncc1Cl 49089839 JSIJDONSUVBYPF-MRXNPFEDSA-N 409.313 5.654 0 1 HKAF CC1=C(CN2CC(C(=O)O)C2)CCCc2cc(OCCCCc3ccccc3)ccc21 59615110 MQROVHDBIFKVPX-UHFFFAOYSA-N 419.565 5.215 0 1 HKAF Fc1cccc(C(F)(F)F)c1-c1ccc2nc(C3=NOC4(CCCCC4)C3)[nH]c2c1 66113411 SYEYWBNXWHHUOD-UHFFFAOYSA-N 417.406 6.215 0 1 HKAF C[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCCC1CCCCC1 82084026 SNMDGZDGXDXCDR-QGZVFWFLSA-N 420.509 5.127 0 1 HKAF Cc1ccc(CCNc2ncc(C(=O)N(C)CC(C)C)c(-c3cccc(C)c3)n2)cc1 82145238 VWHMDXAAEMMYMG-UHFFFAOYSA-N 416.569 5.143 0 1 HKAF CCN(CC)CCOc1ccc2c(c1)sc1cc(OCCN(CC)CC)ccc12 82152361 GAWDFAAKHBPDBZ-UHFFFAOYSA-N 414.615 5.496 0 1 HKAF CCCCCn1c(C2CCCCC2)nc2c(NCCCc3ccccc3)ncnc21 82179918 YAJYQNVGXICTER-UHFFFAOYSA-N 405.590 6.109 0 1 HKAF Cc1ccc(-c2ccc(C(=O)Nc3ccc4cc(CN5CCCC5)cnc4c3)cc2)cc1 84669600 DQMLXBWKSFQDIL-UHFFFAOYSA-N 421.544 6.058 0 1 HKAF CN(C)C[C@@H]1CCc2cc(NC(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2C1 95561674 ZMESIFWTXLNVHD-LJQANCHMSA-N 415.537 5.789 0 1 HKAF CN(C)c1nc2cc(Br)ccc2c2[nH]c(-c3ccccc3Cl)nc12 95602237 LFPFNTSUIHOZFE-UHFFFAOYSA-N 401.695 5.260 0 1 HKAF COc1c(Cl)c(C)c(Cl)c(O)c1C(=O)c1cc(O)cc(O)c1CC=C(C)C 96917837 YBQVWBAUWFCZTM-UHFFFAOYSA-N 411.281 5.167 0 1 HKAF COc1cccc(-c2ccc3c(c2)-c2[nH]c4ccc(C(C)(C)C)cc4c2CC(=O)N3)c1 96923499 LPDFXKALQRQPIU-UHFFFAOYSA-N 410.517 6.303 0 1 HKAF O=C(O)[C@H]1CC[C@H](c2cc3cccnc3c(-c3cccc(OC(F)(F)F)c3)n2)CC1 101565318 KQTBOQXYPPPCCB-OKILXGFUSA-N 416.399 5.554 0 1 HKAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccc(C)c2)C2=C(O)CC(C)(C)CC2=N1 104076786 YMQDINDVZRLLJG-AVRDEDQJSA-N 409.526 5.162 0 1 HKAF COc1ccc([C@H]2C3=C(O)CCCC3=Nc3ccc4nc(C)ccc4c32)cc1OC 104698651 WBUDDNIZMSGWOF-HSZRJFAPSA-N 400.478 5.774 0 1 HKAF CC(C)[C@@H]1CC[C@@H](C)[C@@H]2C[C@H]3[C@H](C[C@@H]12)C[C@]1(C)CC[C@H](C(C)C)[C@H]2C[C@@H](C)C[C@H]3[C@@H]21 139364924 PTJNNBKAZKHNHT-AHUJAQMMSA-N 412.746 8.702 0 1 HKAF c1ccc([C@@H]2CCc3cc(Oc4ncc(CNCc5ccno5)s4)ccc3O2)cc1 145538590 QTKSTMQDFUPTCY-NRFANRHFSA-N 419.506 5.280 0 1 HKAF Cc1cc(O)cc2c1O[C@@]1(C2)[C@@H](C)CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]21C 238767436 JTFQPSRKDMDRKT-KVNGWECNSA-N 412.614 6.024 0 1 HKAF CC(C)[C@H](C)[C@H](C)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255224036 KTGGCSVZUGUIFS-ALJXFJIWSA-N 416.734 7.961 0 1 HKAF C/C(=C\[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)[C@H](C)C(C)C 255269429 SXOOOXJHQQTJJY-VVZUVBOESA-N 412.702 7.801 0 1 HKAF Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N2CCCC2)c1 299881079 NIXYQFLWAAPVBG-IVOMFYJKSA-N 418.585 5.171 0 1 HKAF CC(C)COc1cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1Br 586884779 IVIAGOKOPYFESZ-OPAMFIHVSA-N 411.343 5.732 0 1 HKAF Cc1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586992290 VAAAETDLCCKGOQ-UHFFFAOYSA-N 413.476 6.794 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(C(F)(F)F)cc4F)nc13)-c1ccccc1C2=O 586992675 INJDLQZONXYNNC-UHFFFAOYSA-N 407.366 6.580 0 1 HKAF Cc1ccc(C)c2[nH]c(-c3ccccc3OCc3ccc(Br)cc3)nc12 586998536 MCVJNCGDDANZPY-UHFFFAOYSA-N 407.311 6.188 0 1 HKAF Fc1cc(Br)c2[nH]c(-c3ccccc3OCc3cscn3)nc2c1 587029804 UWLHYCFQTXJWHG-UHFFFAOYSA-N 404.264 5.167 0 1 HKAF Fc1c(F)c(F)c2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2c1F 587040635 POMHMAPUSJJDHM-UHFFFAOYSA-N 415.415 5.965 0 1 HKAF COc1cc(/C=C\c2nc3cccc(C(F)(F)F)c3[nH]2)cc(Cl)c1OCC(C)C 587046289 FCXRKACKIAGFBX-FPLPWBNLSA-N 424.850 6.449 0 1 HKAF Oc1nc2cc3nc(-c4cc(-c5ccccc5Cl)nc5ccccc45)[nH]c3cc2[nH]1 587060426 LWBCEVDNMCNBKO-UHFFFAOYSA-N 411.852 5.680 0 1 HKAF Cc1nn(-c2cccc(-c3nc4ccc(Br)c(F)c4[nH]3)c2)c(C)c1Cl 587065581 SOSVPHFQGPRGRY-UHFFFAOYSA-N 419.685 5.587 0 1 HKAF Cc1ccc2c3c(c4c(nc13)CN(C(=O)OC(C)(C)C)CC4)-c1ccccc1C2=O 587097307 NFKJJDYAHIMOEE-UHFFFAOYSA-N 400.478 5.048 0 1 HKAF Cc1ccc2c3c(cc(-c4c(Cl)nc5sccn45)nc13)-c1ccccc1C2=O 587101702 LEMJBKYWTFXXTF-UHFFFAOYSA-N 401.878 5.784 0 1 HKAF O=C1c2ccccc2-c2c(CCc3ccc(Cl)c(Cl)c3)cnc3cccc1c23 587103355 GDWJOUPCLKGDDS-UHFFFAOYSA-N 404.296 6.538 0 1 HKAF COc1ccc(-c2ccc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)c(F)c2)c(F)c1 587152107 KCKAVSITOIRLDK-UHFFFAOYSA-N 423.463 5.124 0 1 HKAF Fc1ccc(/C=C(/c2nc3ccc(SC(F)(F)F)cc3[nH]2)c2cccs2)cc1 587164300 PPVKNLBMTDURJJ-XNTDXEJSSA-N 420.456 6.964 0 1 HKAF Cc1c(-c2ccc(Br)s2)nc2cccc3c2c1-c1ccccc1C3=O 587207671 IODQNHTWADWPRY-UHFFFAOYSA-N 406.304 6.246 0 1 HKAF CCn1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587342917 QMTVXZDGSBRDRC-RSXGOPAZSA-N 415.464 5.780 0 1 HKAF CCOC(=O)C[C@]1(CCC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352266 WBRUPASGSDAPSH-UPVQGACJSA-N 414.473 5.018 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCC[C@H]1c1ccccc1C(F)(F)F)O2 587383376 WMQKPMJHNMAGNC-HTAPYJJXSA-N 403.444 6.048 0 1 HKAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cccc(C)c1C 587400099 NESUJDPWYDZXPG-XMMPIXPASA-N 417.505 5.488 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1c(/C=C/c4ccoc4)oc4ccc(O)cc14)[C@@H](C2)C3=O 587456392 UPXNDOOXPYUCTN-OXFBBPDESA-N 414.413 5.399 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCc3c(C)noc3C)c1)CC2=O 587487842 XKCSQMVEXHFNGP-HSZRJFAPSA-N 407.466 5.235 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Sc1cccc(OC)c1)CC2=O 587493211 RFPXABCUWCOWDQ-HSZRJFAPSA-N 420.530 6.211 0 1 HKAF O=C(O)c1cc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)ccc1Cl 587505937 MGVGJRZDQBYEHR-QFIPXVFZSA-N 422.864 5.884 0 1 HKAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1cccnc1 587513191 BCZRTUVQHVIORH-XMMPIXPASA-N 415.489 5.255 0 1 HKAF O=C(c1c(-c2ccccc2Br)[nH]c2cc(Cl)c(F)cc12)C(F)(F)F 587628149 IFCXTOWEPGDIRV-UHFFFAOYSA-N 420.587 6.135 0 1 HKAF CCOc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccc(Cl)cc2)cc1 587628775 POKDKBYMAZUVIB-UHFFFAOYSA-N 400.280 7.347 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3Br)c(-c3ccccc3F)c2c1 587640047 BJNCPEBUAGCKBI-HNNXBMFYSA-N 422.341 7.917 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ccc3cccnc23)N1 587695050 IYMUKTZPNHTAIV-GIGQVBGESA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2cccc(Cl)c2)N1 587700085 LOYJNWMTVCPEAS-NSPYISDASA-N 410.714 5.264 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(F)cc3)cc2)N1 587730409 FTEAYHHNOSZLRY-MCMMXHMISA-N 414.293 6.018 0 1 HKAF Cc1cc(C)n(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)n1 587767275 XVTKFEBCEOYUKK-GTJPDFRWSA-N 414.322 5.014 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC3CCCCC3)nc2)N1 587772088 NIBVVRLQGYZADW-YEJXKQKISA-N 419.338 5.318 0 1 HKAF CCC[C@@H](CC1(c2nc3ccc(F)c(C)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782087 PORTUZTZDUCSBE-FQEVSTJZSA-N 422.544 6.372 0 1 HKAF Cc1ccc(-c2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)no2)cc1 587790990 DVSOHUNLQKDEQT-MPBGBICISA-N 401.279 5.175 0 1 HKAF CCOc1ccc2ccccc2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587800935 HZWVCHUEAAFGDJ-DMZKTXOQSA-N 414.318 5.764 0 1 HKAF COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)(C)C 587805228 DTURYHXVZAXGJC-DMZKTXOQSA-N 420.366 5.692 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/[C@@H]2C(C)(C)CC[C@H]3O[C@@]32C)N1 587837217 DPEHASUWZCSFOX-XIQMZOORSA-N 422.382 5.488 0 1 HKAF Cc1cc(OCCn2c(O)cc(-c3ccc(F)cc3)c2O)c(C(C)C)cc1Cl 587939509 BTWRDALTCSIZFH-UHFFFAOYSA-N 403.881 5.870 0 1 HKAF O=C(O)[C@@H]1CCCC[C@@H]1C[C@@]1(c2ccccc2)c2ccc(F)cc2C[C@@H]2CCCN21 963114534 VNJBONRQKVVRDX-MXKZQLQBSA-N 407.529 5.371 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@]2(c1ncco1)c1ccc(Cl)cc1Cl 963118363 ZGNKFVZWHIILRV-IIBYNOLFSA-N 403.284 5.433 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C 963256478 CLWPPEGLISXYIH-BVYCBKJFSA-N 402.623 6.104 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@]2(CCc1ccccc1C)c1ccc(F)cc1 963271956 YMQZCMIBTXRPHR-VWLOTQADSA-N 409.932 5.818 0 1 HKAF CN1c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C(C)(C)[C@@H](O)C1(C)C 1911584950 AYLCUMDOKMCRMV-GOSISDBHSA-N 421.463 5.216 0 1 HKAF CN[C@H]1CC[C@]23C[C@@]24CC[C@]2(C)[C@H]5[C@@H](C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C)OCN(C)[C@@H]5C 2356425181 IBBJBVLTEQHUQV-IJHBIDDNSA-N 414.678 5.300 0 1 HKAF COc1cc(-c2ccc[nH]2)oc1C1=C2N=C3C=C2[C@@H](C(C)C)[C@H]1CCCCCCCC3 2356455502 WTZQQLFRBFUXPB-DVECYGJZSA-N 418.581 7.412 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)[C@@H](C)[C@H]1CC3 2356472385 VSGFTONSNLGNKU-UQQLPLGWSA-N 412.702 7.801 0 1 HKAF CC(C)C[C@@H](C)C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356512227 WBAMVVMXWWWSLU-FGAXOLDCSA-N 400.691 7.635 0 1 HKAF C[C@@H]1[C@H](O)CC[C@@H]2[C@@H]3CC[C@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]12C 2356568843 FRRPUSYZJQBRAG-UQXBROSHSA-N 414.718 7.859 0 1 HKAF CC(C=CC=C(C)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1)=CC=CC=C(C)C=CCO 2356599139 OOJOUQLXWXASLN-NLJOTIRTSA-N 410.598 5.751 0 1 HKAF COc1ccccc1-c1ccc2c(c1)[C@@](C)(Cc1ccc(Cl)c(Cl)c1)C(=O)N2 61907805 GYQVCIKWJJXMRU-HSZRJFAPSA-N 412.316 6.122 0 3 HKAF Cc1ccc(OCc2nc3ccccc3n2[C@@H](C)C(=O)Nc2c(C)cccc2C)cc1 95569862 PNIKEUWRTULQBL-FQEVSTJZSA-N 413.521 5.740 0 3 HKAF CCOc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccccc2)ccc1OC 775921 XPUMNVQWYFICKC-UHFFFAOYSA-N 422.525 5.019 0 1 HKAF COCCCNC(=O)c1c(-c2ccccc2F)noc1-c1cccc2ccccc12 2482319 HASABBOKEHSLJJ-UHFFFAOYSA-N 404.441 5.067 0 1 HKAF Clc1cccc(Nc2[nH]nc3ncnc(Nc4cccc(Br)c4)c23)c1 3815195 JUKRBPQFJFOIDS-UHFFFAOYSA-N 415.682 5.256 0 1 HKAF C[C@H]1[C@H]2[C@H](C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 8214881 GMBQZIIUCVWOCD-PZXMPJSTSA-N 416.646 5.794 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O 14584389 MBIJQAHZUBUPNM-VIZOYTHASA-N 422.477 5.518 0 1 HKAF in-vitro CC(C)NC(=O)Nc1nc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2s1 28461494 QVNKWMNTKMKJJG-UHFFFAOYSA-N 423.325 5.385 0 1 HKAF CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@H](COC(C)C)c1ccccc1 28956345 OLYJMQZJBSEVGY-JOCHJYFZSA-N 420.557 5.675 0 1 HKAF COc1cccc2c1-c1ccc3c(c1[C@@H](CC1=CCCCC1)O2)C(C)=CC(C)(C)N3 29417492 GHGBCVLTHVCEHB-HSZRJFAPSA-N 401.550 7.294 0 1 HKAF CCCC[C@H](CC)COC(=O)c1cc(CO)cc(C(=O)OC[C@H](CC)CCCC)c1 40394607 JZADKPADDWZGKB-BGYRXZFFSA-N 420.590 5.925 0 1 HKAF O=C(O)c1ccc(NCCCCCCCCCCCSCc2ccccc2)cc1 40669877 QQEWQMWNBYPDLN-UHFFFAOYSA-N 413.627 7.241 0 1 HKAF CC(C)(C)c1nc(N)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2n1 40881413 GMSTWIZAQXJBNA-UHFFFAOYSA-N 423.347 6.545 0 1 HKAF Clc1ccc([C@H]2C[C@H]3CC[C@H](S3)[C@@H]2c2cc(-c3ccccc3)no2)cc1Cl 66100970 KWPJGSRDVFKINU-DJDZNOHASA-N 416.373 7.184 0 1 HKAF CC1=Nc2c(-c3ccccc3)cc(Cl)cc2[C@H](c2ccccc2)N1CCCN(C)C 72125232 FJNFARLQXKFPSM-SANMLTNESA-N 417.984 6.414 0 1 HKAF O=C(c1cccc(F)c1)N1CCc2sccc2[C@@H]1c1ccc(C(F)(F)F)cc1 84671148 RAAXSWOQEJHVFO-IBGZPJMESA-N 405.416 5.694 0 1 HKAF CC(=O)N1CCc2cc(NC(=O)c3cc4c(C)nn(C5CCCCC5)c4s3)ccc21 114710992 HQSXZPKNYJQGQG-UHFFFAOYSA-N 422.554 5.073 0 1 HKAF Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CNC(=O)c2ccccc2)cc1 146156691 DHXDJNUJFVAVNI-UHFFFAOYSA-N 421.500 5.118 0 1 HKAF CC(C)(C)c1ccc(Nc2ncnc3c2CCN(c2nncc4ccccc24)CC3)cc1 148594288 FDSDQEOZVIHQQQ-UHFFFAOYSA-N 424.552 5.066 0 1 HKAF C[C@]1(c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)CCN(Cc2ccccc2)C1 166699381 ZLWIWELYILHASJ-VWLOTQADSA-N 419.956 6.148 0 1 HKAF Clc1ccc(Cc2nn3cc(-c4ccc(Br)cc4)nc3s2)cc1 203528748 URNLSUHJKQVRBL-UHFFFAOYSA-N 404.720 5.465 0 1 HKAF COc1cccc(OC)c1-c1cc(Cl)cc([C@@H](CC(=O)O)c2ncc(C)s2)c1 219417655 JSGKDCBYKMYMOY-MRXNPFEDSA-N 417.914 5.396 0 1 HKAF CC[C@@H](C)C(=O)O[C@H]1C[C@@](C)(C(=O)O)[C@@H]2CC=C(C)[C@H](CCc3ccoc3)[C@@]2(C)C1 238759447 APJZUKRTSFYJOW-ZQLRSCNJSA-N 416.558 5.644 0 1 HKAF CC(C)[C@H](C)[C@H](O)C[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255229780 LWNXAKRKGITUJQ-PJSYTAHISA-N 414.674 6.526 0 1 HKAF COc1ccc(-c2nc3scc(-c4ccccc4)n3c2NC2CCCCC2)cc1 299824731 LSAHMTFDNGHCKV-UHFFFAOYSA-N 403.551 6.483 0 1 HKAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(C)c(C)cc4[nH]3)c(=O)oc2c1C 586917690 HWFBNKSBMYCBQW-UHFFFAOYSA-N 416.521 5.839 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H](c1ccc(Cl)cc1)C3 586984759 BADAVNYMAGUOSQ-HNNXBMFYSA-N 411.888 6.078 0 1 HKAF CCCC(=O)Nc1ccc(O)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586987209 BOWHDLNQJKVRKD-UHFFFAOYSA-N 424.456 5.263 0 1 HKAF COc1ccc2c(c1)-c1nc3ccc(O)c4c3c(c1CCS2)-c1ccccc1C4=O 586993351 KPSKFQVKLXHEAG-UHFFFAOYSA-N 411.482 5.476 0 1 HKAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)s1 587023406 PGEKZAMUUUYYMV-UHFFFAOYSA-N 422.510 5.612 0 1 HKAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(Oc3ccccc3)cc2[nH]1 587041988 GKVRTAHGJPYJMA-HXUWFJFHSA-N 421.909 5.664 0 1 HKAF Cc1cc(Cl)cc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c12 587052597 XLHORZDRRJWAJF-UHFFFAOYSA-N 418.711 5.709 0 1 HKAF FC(F)(F)c1ncc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2n1 587070385 IDTQLPHZPUDPFN-UHFFFAOYSA-N 404.779 5.271 0 1 HKAF COc1cc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc2cc1Cl 587114738 YADHDEBKFDLICE-UHFFFAOYSA-N 418.802 6.703 0 1 HKAF FC(F)(F)c1cncc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 587115201 IAPHAWODJDZEHE-UHFFFAOYSA-N 410.115 5.425 0 1 HKAF Nc1ccc(-c2ccc3nc([C@@H](Nc4ccccc4)c4ccccc4F)[nH]c3c2)cc1N 587150806 SSINHGIREIUHQO-VWLOTQADSA-N 423.495 5.735 0 1 HKAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c2)c1 587160457 SKTGXYUPUKLCCI-UHFFFAOYSA-N 410.448 6.837 0 1 HKAF CC(C)CCOc1cc2nc(-c3ccc(Cl)nc3F)[nH]c2cc1Br 587177629 RCRKQLRXPFEXMK-UHFFFAOYSA-N 412.690 5.605 0 1 HKAF C[C@@]1(c2ccc3cc(O)ccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350027 GIMNFHGDOQJAPV-RSXGOPAZSA-N 414.432 5.664 0 1 HKAF CCOC(=O)C[C@@]1(CC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352759 XGGYYMGTWYZCCX-URXFXBBRSA-N 414.473 5.018 0 1 HKAF COc1cccc(C(=O)Cc2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1 587364188 YXVGTMGQKYLYSV-UHFFFAOYSA-N 423.468 6.091 0 1 HKAF COCOc1ccc([C@@]2(c3ccccc3Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587377035 FZALUZSXGWIOEJ-XMMPIXPASA-N 423.896 5.122 0 1 HKAF COc1ccc([C@]2(c3ccccc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)c1 587419870 NCOMDGGBZGEKIV-CJFMBICVSA-N 420.892 5.357 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cc(C(=O)O)ccc4Cl)cc1)[C@@H](C2)C3=O 587424310 YTVBOBATZVYSJU-FDDCHVKYSA-N 420.848 5.203 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1cc(Cl)ccc1OC)CC2=O 587461650 LJVLNLCYDLKXEC-JOCHJYFZSA-N 411.885 5.504 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](c2ccc(F)cc2)Nc2ccccc21 587472403 PTKKTTNDRRBRCF-BKMJKUGQSA-N 417.480 5.901 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC(=O)c3cccc(C)c3)c1)CC2=O 587484175 WYWROQFRAVWPQW-XMMPIXPASA-N 416.473 5.579 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1cccs1)([C@@H](O)c1cccs1)CC2=O 587495374 QPOMGXFFOWCUCR-LEWJYISDSA-N 400.521 5.062 0 1 HKAF C[C@]1(c2ccc(-c3ccc(Cl)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587505136 YHWCTVJWOSPQSC-AREMUKBSSA-N 402.921 6.766 0 1 HKAF O=C1C[C@@H](c2ccc(OC(F)F)c(OCC3CC3)c2)Oc2c1ccc1c2CCCC1 587506202 MYZBVZHUYVPPIZ-NRFANRHFSA-N 414.448 5.662 0 1 HKAF O=C1C[C@H](c2ccc(Sc3ccc(Cl)cc3)o2)Oc2c1ccc1c2CCCC1 587532330 MALOYWYHBHTDRN-OAQYLSRUSA-N 410.922 6.670 0 1 HKAF O=C1C[C@@H](c2c(-c3ccccc3)nc3sccn23)Oc2c1ccc1c2CCCC1 587537133 AZBLBEQRIBGKJN-FQEVSTJZSA-N 400.503 5.648 0 1 HKAF CC(C)COc1ccc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544007 CXNCJXPNXOSUAP-ZJSXRUAMSA-N 424.880 5.783 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(CCCCc3nc4ccccc4[nH]3)c2c1 587640203 GGRCHHYTIGDWBW-HNNXBMFYSA-N 413.487 7.142 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(OC(F)F)cc3)c2c1 587642210 QVSWXBUSBVBLFE-LLVKDONJSA-N 411.370 6.533 0 1 HKAF Cc1cccc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc12 587707146 UGSGZDQOXDKHTP-WYRIXSBYSA-N 419.725 5.722 0 1 HKAF CC[C@@]1(c2ccc(OC(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587715633 HZLOOCDNARJCIA-WLRWDXFRSA-N 414.265 5.377 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)F)c(Cl)c2)N1 587717572 LRYWWTRKCBFAEW-ZKANADHPSA-N 420.656 5.467 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C2\N(C)c3ccccc3C2(C)C)N1 587768494 KFLZCAJXOYZIBX-ONXKHKTOSA-N 415.350 5.475 0 1 HKAF COc1ccc([C@]2(CCC(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587805911 GQDGUCDFBVOJNC-QRQCRPRQSA-N 420.366 5.811 0 1 HKAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc12 587807093 JUBLUMKUWBGZIJ-WHEQGISXSA-N 414.318 5.548 0 1 HKAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 587935101 GIYZGIDQJBKKDS-SANMLTNESA-N 406.485 6.544 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c(N)ncnc2[nH]1 587958370 FOZUQEVJRPHUFX-UUQHCRCUSA-N 419.617 6.789 0 1 HKAF Brc1ccc2c(c1)[C@](Cc1ccccc1)(C1CCCCC1)NC1(CC1)C2 961617204 UJDCTRNIGXFNDK-DEOSSOPVSA-N 410.399 6.146 0 1 HKAF O=C(O)c1cccc(-c2ccc([C@H]3NCCc4cccc(-c5ccccc5)c43)s2)c1 962670056 UONGEUOQOLERBM-RUZDIDTESA-N 411.526 6.015 0 1 HKAF CCOc1cc([C@H]2c3ccsc3CCN2Cc2ccco2)c(Cl)cc1OC 962702689 GGNXYVCULCTELD-OAQYLSRUSA-N 403.931 5.550 0 1 HKAF COc1cccc2cc3c(nc12)[C@@](C)(COc1ccc(-c2ccc(C)cc2)cc1)NCC3 963050247 CVJNWHLIBHCOOQ-MUUNZHRXSA-N 424.544 5.659 0 1 HKAF Clc1cc(Cl)c2c(c1)[C@]1(CCN(Cc3ccccc3)c3ccccc31)NCC2 963118407 FVFLWFPZVUITCC-XMMPIXPASA-N 409.360 5.793 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1ccc(-c2ccc(C)cc2Cl)cc1 963244598 WRNUSCGYZQKVGT-HRFSGMKKSA-N 403.997 7.236 0 1 HKAF COc1ccc(-n2c(-c3ccc(Nc4ccccc4)cc3)nc3ccccc3c2=O)cc1 1772650380 FAFVBTSUBIJXNT-UHFFFAOYSA-N 419.484 5.805 0 1 HKAF CCOc1cc(CNc2ccc(C)cc2)ccc1Oc1ccnc2cc(Cl)ccc12 1857550576 WYVIGSPWSQCYMT-UHFFFAOYSA-N 418.924 7.000 0 1 HKAF CCOC(=O)c1ccc(NC(=S)Nc2ccc3c(c2)C(C)(C)CCS3)cc1 1857561692 HWCWBCJJWUSTPZ-UHFFFAOYSA-N 400.569 5.446 0 1 HKAF Cc1cc2nc(C(C)(C)O)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1 1857764664 OARKUKXJGKPHGK-UHFFFAOYSA-N 402.925 6.461 0 1 HKAF CC(C)CCN1C=CC(=C[C@@H]2C=CN(CCC(C)C)c3ccccc32)c2ccccc21 2356330375 JHTYJISFEALDMM-DEOSSOPVSA-N 412.621 7.613 0 1 HKAF C[C@@H]1CO[C@H]2C[C@](C)([C@@H]3CC[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]43C)O[C@H]21 2356432999 RTMWIZOXNKJHRE-BMHXUHHGSA-N 416.646 5.589 0 1 HKAF CCO[C@@H]1C=C(CCC=C(C)CCC=C(C)CCC2=C(C)CCCC2(C)C)C(=O)O1 2356486844 FYOPGZBGCKUNEK-VWLOTQADSA-N 414.630 7.592 0 1 HKAF CC[C@H](C=C(C)C)C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C=C[C@]12C 2356733011 OFSJHZVDJCTSNW-IUMWASOSSA-N 412.702 7.801 0 1 HKAF CN1C[C@@H]2[C@@H](c3ccc(Cl)nc3)C3(c4ccccc4)CC2(C3)[C@H]1c1ccccc1 8679907 XILORIGEVHNAMQ-GPPMZVCISA-N 400.953 5.853 0 3 HKAF COc1ccc(-c2noc(-c3ccc(F)cc3Cl)c2C(=O)NCC(C)C)cc1 774471 SMJDZNJZCGGGBT-UHFFFAOYSA-N 402.853 5.196 0 1 HKAF CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)OCC)[C@@H]1/C=C/c1ccccc1 1485768 KATXVTYZSYJWKY-ARLHAXKGSA-N 417.505 5.571 0 1 HKAF CCCCc1nc2ccccc2nc1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 1539888 WHDRTMPYQHQMBP-UHFFFAOYSA-N 420.520 5.410 0 1 HKAF CC/C(=C\C=C\C(O)(CC)CC)c1cccc(OCc2ccc(CO)c(CO)c2)c1 1547880 ZPQGIRYXMGFFNL-QXSLLBHJSA-N 410.554 5.151 0 1 HKAF in-vitro COCOc1cc(C(C)(C)C)ccc1-c1ccc(C(=O)NCc2ccccc2)cc1 13603811 UHKNPVYNTQTWBT-UHFFFAOYSA-N 403.522 5.564 0 1 HKAF COc1cc(O)c(-c2ccc(OC)c3c(OC)cc(C)cc23)c2c1[C@H](C)N(C)[C@H](C)C2 14421105 RNLKCMIGQLHEKX-CVEARBPZSA-N 421.537 5.484 0 1 HKAF biogenic CCC[C@@]1(CCc2ccccc2)CC(=O)[C@H]([C@@H](c2ccccc2)C2CCCC2)C(=O)O1 18114634 RBPIPBZFKMTZPW-ZRRKCSAHSA-N 418.577 6.264 0 1 HKAF Fc1cc(F)cc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 27547697 HBEGTMOMACFCHB-SVBPBHIXSA-N 419.515 5.776 0 1 HKAF CCN(CC)CCCCCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 29320620 IHHWASZRLBOWQR-UHFFFAOYSA-N 402.991 6.372 0 1 HKAF CSc1ccc(C2=C(c3ccc(C(F)(F)F)cc3)C(=O)N3CCC[C@@H]3C2)cc1 29405449 NLRLMMUONCDISR-QGZVFWFLSA-N 403.469 5.733 0 1 HKAF O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OC/C=C/c2ccccc2)O1 29409167 XDMKMXBHKVLFCC-FTAQYQEZSA-N 419.304 5.165 0 1 HKAF CC1=C(/C=C/C2=C/C(=C\C(=O)O)C[C@@H](C3=C(C)CCCC3(C)C)C2)C(C)(C)CCC1 31820286 OSJIOOWZMIEHAZ-KWQONZQXSA-N 408.626 7.943 0 1 HKAF O=C(Nc1oc(-c2ccccc2)nc1-c1ccccc1)c1ccc(C(F)(F)F)cc1 35275052 PINXMOKPZWDWKV-UHFFFAOYSA-N 408.379 6.280 0 1 HKAF CCCC[C@H](CC)COC(=O)c1cc(CO)cc(C(=O)OC[C@@H](CC)CCCC)c1 40394608 JZADKPADDWZGKB-PMACEKPBSA-N 420.590 5.925 0 1 HKAF CCS[C@@H]1Nc2cc(F)ccc2N1c1ccc(OCCCN2CCCCC2)cc1 40430642 LVWQLKMKLVGJBM-HSZRJFAPSA-N 415.578 5.681 0 1 HKAF c1ccc(CN2CCC(NCc3cccc(-c4cncc5ccccc45)c3)CC2)cc1 45229591 UVFKIXADSJYRDW-UHFFFAOYSA-N 407.561 5.656 0 1 HKAF CC(=O)Nc1ccc(OC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)cc1 45367322 OPUUVRSYPIIQGL-UHFFFAOYSA-N 414.383 5.627 0 1 HKAF CCCCCN(Cc1ccccc1)C1CCC2(CC1)O[C@@H](OC)Cc1ccccc12 71340568 IGPWXLMBTPDYMD-HHZPJPPKSA-N 407.598 6.062 0 1 HKAF Cc1c(Cl)cccc1Oc1cccn2c(C34C[C@@H]5C[C@@H](CC(O)(C5)C3)C4)nnc12 72109884 LMTDRJINJCULCX-IWENEADUSA-N 409.917 5.066 0 1 HKAF Cc1cc(-c2ccc(Nc3nc4c(s3)CCC[C@H]4c3ccccc3)cc2)nc(C)n1 73160167 GEAKKNDZDGPBDX-NRFANRHFSA-N 412.562 6.429 0 1 HKAF CCCCCn1c(C2CCCCC2)nc2c(NCCc3ccccc3F)ncnc21 82180788 AIOSJFPGWZHLCB-UHFFFAOYSA-N 409.553 5.858 0 1 HKAF COc1cc(Cn2c(-c3cc(F)ccc3F)nc3cc(C)ccc32)cc(OC)c1OC 95552531 JCCSFFKNDXDUEU-UHFFFAOYSA-N 424.447 5.364 0 1 HKAF CCCCCCOC(=O)n1c2ccc(Cl)cc2c2ccc([C@H](C)C(=O)O)cc21 95554460 VOSLAIRROFTPFG-AWEZNQCLSA-N 401.890 6.201 0 1 HKAF CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccccc2n1Cc1ccccc1 96174504 IGIPYHVMCLLZTA-UHFFFAOYSA-N 417.499 6.907 0 1 HKAF Cc1c(OCCCCCN2CCCC[C@H]2C)ccc2c(=O)cc(-c3ccccc3)oc12 96271277 BDFXZHLXKUDFHC-HXUWFJFHSA-N 419.565 6.192 0 1 HKAF O=C(OC[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1cccs1)CN32)c1ccc2ccccc2c1 100909226 HKCXATAGMOKJIB-GUEKEOMVSA-N 415.558 5.624 0 1 HKAF O=C1Nc2ccccc2[C@@H]1CCCCN1CC=C(c2cccc(C(F)(F)F)c2)CC1 101446125 GIIZJZBEFPZVKI-NRFANRHFSA-N 414.471 5.701 0 1 HKAF COc1c(Cl)cc(Cl)cc1[C@@H]1Nc2ccccc2N=C2CC(C)(C)CC(O)=C21 103897932 DDWXMSAQNRVULC-FQEVSTJZSA-N 417.336 6.873 0 1 HKAF CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@H](CC=C(C)C)C(=O)[C@@H]1C(=O)C(C)C 104368834 AXAAMKAGJNUYDB-PSELDJGJSA-N 400.647 7.498 0 1 HKAF in-man CC[C@H](C)Nc1ncc(C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccccc2F)n1 105178343 KSEJIORGIAFDGT-RMWAXNGCSA-N 424.564 5.294 0 1 HKAF CC(C)[C@@H](C)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 119250461 VETZNBAGZJYCQT-OTRGRPOZSA-N 414.674 7.102 0 1 HKAF in-man O=C(OC1C2CC3CC(C2)CC1C3)N1CCC[C@@H]1c1nc(-c2ccncc2)cs1 147550480 JUTHVZDHPWXUNN-BXDRECAWSA-N 409.555 5.303 0 1 HKAF [C-]#[N+]c1ccc(N2C(=O)[C@](C)(CF)N(c3ccc(C)cc3)C2=S)cc1C(F)(F)F 167760202 ZHALOWHQZIVHHB-IBGZPJMESA-N 421.419 5.431 0 1 HKAF Cc1cc(C(=O)O)c2[nH]c(-c3c(F)c(F)c(-c4cccc(O)c4)c(F)c3F)nc2c1 168573893 SEBXJVNLSSBOPQ-UHFFFAOYSA-N 416.330 5.166 0 1 HKAF Cc1ccccc1C1CCN(C2CCC(NC(=O)/C=C\c3ccc(F)cc3)CC2)CC1 206761920 CNGFVBYCNZZZIA-NVNXTCNLSA-N 420.572 5.454 0 1 HKAF C[C@H]1C[C@@H](CC(=O)O)CCC12CCN(c1cc(OC(F)(F)F)ccc1Cl)CC2 209048500 YXMYUZGNDIAWAU-KBPBESRZSA-N 419.871 5.736 0 1 HKAF C/C=C(\C)[C@H](O)[C@H](C)/C=C(C)/C=C\C[C@@H](C)/C=C\c1oc(OC)c(C)c(=O)c1C 238787962 PIYNCLUPGLBENL-SIQREXIRSA-N 400.559 5.770 0 1 HKAF Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1 299835791 LTACTAZJIYCENM-UHFFFAOYSA-N 412.581 6.874 0 1 HKAF COc1cc(/C=C\c2nc3ccc(OC(F)(F)F)cc3[nH]2)ccc1Br 586978165 YHJHXXJYHJVZQP-CLTKARDFSA-N 413.193 5.403 0 1 HKAF COc1cc(/C=C/c2nc3cc(Cl)c(F)cc3[nH]2)cc(Cl)c1OCC(C)C 587046313 FSJYWHKZLPZXKN-SNAWJCMRSA-N 409.288 6.223 0 1 HKAF COc1cc(/C=C/c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc(Cl)c1OCC(C)C 587046805 MMOVJAVQABCSKX-XBGMYJNYSA-N 414.893 5.154 0 1 HKAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(C)cc(C)c3[nH]2)c1 587048321 IFBBXXPACOTJEF-HJWRWDBZSA-N 410.905 5.224 0 1 HKAF Cc1cncc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c12 587054021 ICUYXJMKFWSEOH-CYBMUJFWSA-N 414.292 6.505 0 1 HKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587069975 NHZCVWCTJWCESP-VIFPVBQESA-N 401.215 6.265 0 1 HKAF COc1ccc(-c2nc3c(C)ccc4c3c(c2CC(C)C)-c2ccccc2C4=O)cc1 587099328 ZKLSVYWOVPJJTL-UHFFFAOYSA-N 407.513 6.629 0 1 HKAF O=C1Cc2nc3cccc4c3c(c2[C@H](c2cccc(Cl)c2)C1)-c1ccccc1C4=O 587104876 YFDBTRQCWGMFKZ-FQEVSTJZSA-N 409.872 5.747 0 1 HKAF CC(=O)c1ccc(-c2cc(-c3nc4ccnc(Br)c4[nH]3)ccc2F)cc1 587139465 KNNRJLNYBZSAHH-UHFFFAOYSA-N 410.246 5.396 0 1 HKAF COc1ccc(Cl)c(-c2ccc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)cc2F)c1 587143666 VTJRRSSXBGDJMM-FQEVSTJZSA-N 410.836 5.422 0 1 HKAF CC(=O)N[C@@H](Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)c1ccc(C)cc1 587216874 PAVAHVRQCNWGAI-QFIPXVFZSA-N 401.535 5.442 0 1 HKAF C[C@]1(c2cccc(-c3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351666 GVVHEAHNSJLMRO-IXCJQBJRSA-N 424.471 6.473 0 1 HKAF COc1cccc(-c2cc(-c3c(C)nc4ccccn34)nc3c2oc2ccccc23)c1 587363433 NGNWUYRFRNSRRW-UHFFFAOYSA-N 405.457 6.280 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccc(Br)cc1C)O2 587377165 LKYUGXFNLYEHPG-HXUWFJFHSA-N 411.299 5.145 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(Br)s1)O2 587410413 MMHCKNSBOZJCNG-HXUWFJFHSA-N 414.324 5.310 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1c(F)cccc1Cl)[C@@H](C2)C3=O 587424883 XALRAOVLTHJDLH-UPCLLVRISA-N 424.855 5.555 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Oc1cccc(Cl)c1)CC2=O 587458737 BTOVWEOIIRVAJE-HSZRJFAPSA-N 408.881 6.497 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1Sc1ccc(OC)cc1)CC2=O 587491826 NIVUBRQLUZKWOL-QHCPKHFHSA-N 420.530 6.211 0 1 HKAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)cc1Br 587496917 ATIMYEMENRQWQD-LJQANCHMSA-N 417.299 5.052 0 1 HKAF O=C1C[C@](Cc2ccc(Cl)cc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587504857 NRIMNFPADWQUJM-AREMUKBSSA-N 420.911 6.461 0 1 HKAF O=C1C[C@@H](c2ccc(-c3cc(C(F)(F)F)ccn3)cc2)Oc2c1ccc1c2CCCC1 587506677 KYAMZMXPOSLZCH-QHCPKHFHSA-N 423.434 6.353 0 1 HKAF CCOC(=O)[C@H](CC)[C@@]1(c2cccc(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587521004 CCDXUBLRCQRZQY-NVQXNPDNSA-N 406.522 5.324 0 1 HKAF CC(C)(Oc1ccc2c(c1)CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O 587526762 ZXRLDKJAVFKMCQ-SANMLTNESA-N 420.505 5.004 0 1 HKAF C[C@]1(c2cccc(OC(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552504 AGVGLTKNIRSAIJ-GHTZIAJQSA-N 416.351 5.168 0 1 HKAF Cc1cc(Cl)cc2c1OCCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552800 SOTOPTWOYUIMBC-HYBUGGRVSA-N 422.864 5.384 0 1 HKAF Cc1ccc(-c2[nH]c3cc(F)ccc3c2[C@@H](C(=O)O)c2cn(C)c3ccccc23)cc1 587635506 JBGDEHMDKILPGJ-DEOSSOPVSA-N 412.464 5.991 0 1 HKAF Cc1cccc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)c2cc(Cl)ccc2O)c1 587637655 DWONSUTUCXYXJP-UHFFFAOYSA-N 405.837 5.432 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(Br)c2)N1 587714903 GLFDYABCJBVKAN-BCTVWOGZSA-N 417.091 5.113 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(F)c3)nc2)N1 587733678 RSTMYDIMLHUDLJ-LAJNKCICSA-N 415.281 5.413 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3[nH]c4ccc(F)cc4c32)N1 587736808 XBVUFUALMHVNPD-MQJDWESPSA-N 417.297 5.323 0 1 HKAF Cc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587752156 CEHHNUGJENANJV-NYHFZMIOSA-N 413.334 5.619 0 1 HKAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C1CCCC1 587754343 YFOGDEHMVYAVOD-LAJNKCICSA-N 405.355 5.745 0 1 HKAF Cc1cc(C)n(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)n1 587764772 QUVXMYUMFGKZSN-GTJPDFRWSA-N 414.322 5.014 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C2/N(C)c3ccccc3C2(C)C)N1 587768489 KFLZCAJXOYZIBX-LPHMGJRSSA-N 415.350 5.475 0 1 HKAF CCC[C@H](OC)c1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587798277 ZOJUZEHXPFDVAP-LNHNDHHWSA-N 420.366 5.874 0 1 HKAF CCCCCCc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587844445 AFMRVPQHPXKLLP-ZUOKHONESA-N 410.396 6.396 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cccc(OC(F)(F)F)c1 587865425 ZMQZUMBSNUUVNA-UHFFFAOYSA-N 416.321 5.855 0 1 HKAF CC1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 618010099 PQNOLTRWPCDGJB-UHFFFAOYSA-N 416.613 5.125 0 1 HKAF Cc1cc2c(cc1F)[C@](c1ccc(CN3CC=CC3)cc1)(c1ccccc1C)NCC2 962142895 GZBHDUARTSNXHI-NDEPHWFRSA-N 412.552 5.252 0 1 HKAF COc1ccc2c(c1OC)[C@H](c1ccc(-c3cc(C)cc(C)c3)cc1)N(C)[C@@H](C)C2 962628166 OJRDOOCNZYQFFS-SIBVEZHUSA-N 401.550 5.953 0 1 HKAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@@H]2CCc1cccc(C(F)(F)F)c1 962697056 BFCBAMRAFCGDIU-LAUBAEHRSA-N 409.492 5.882 0 1 HKAF CCSc1ccc([C@]2(CCCC(=O)O)c3c(F)cccc3C[C@H]3CCCN32)cc1 963094676 CMNMPMIAXIILTE-NTKDMRAZSA-N 413.558 5.457 0 1 HKAF Nc1c(C(=O)Nc2ccccc2Cl)sc2nc3c(cc12)CCCCCCCC3 1772631130 DZDOQFPQHCKCNE-UHFFFAOYSA-N 413.974 6.223 0 1 HKAF O=c1c2[nH]c3ccccc3c2nc(SCCCC2CCCCC2)n1-c1ccccc1 1772637087 VOQYUXKFFIQIAC-UHFFFAOYSA-N 417.578 6.320 0 1 HKAF Cc1cccc(C(=O)/N=c2\scc(C)n2-c2cc(Cl)c(Cl)cc2Cl)c1 1857544499 QVQXRTAZNBAILH-PYCFMQQDSA-N 411.741 5.857 0 1 HKAF Fc1cc(Cl)ccc1-c1ccc(Cn2nnc3c(Br)cccc32)cn1 1857616263 LISMEBVADPOBBY-UHFFFAOYSA-N 417.669 5.097 0 1 HKAF O=C(Nc1cccc(Oc2ccccc2)c1)N1CCN(c2cccc3[nH]ccc23)CC1 1857767475 WLVFAYCBIAGHBR-UHFFFAOYSA-N 412.493 5.314 0 1 HKAF CCC1=CCO[C@@]2(C)[C@@H](O)C[C@@H]3[C@@]4(C)CCC[C@](C)(CC)[C@@H]4CC[C@@]3(C)[C@@H]2CC1 1911574860 BLBUJKVIFNDFHU-ONMDTXNYSA-N 402.663 6.912 0 1 HKAF CC(C)CC=C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@@]21C 2356419754 CEDAPFOMKGAKTI-FJRAMBSKSA-N 400.647 6.137 0 1 HKAF CC[C@H](C)C=CC=CC=C1CO[C@@H](c2c(O)c(-c3ccccc3)cn(O)c2=O)[C@H](C)C1 2356494594 IXMWFEZJSGIEGP-OSWQYVSFSA-N 421.537 5.641 0 1 HKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356712327 ZCGQXKHIMLRISN-XUDWXHIGSA-N 402.619 5.148 0 1 HKAF N[C@@H](CCc1ccccc1)c1csc(NC(=O)Nc2cccc(C(F)(F)F)c2)n1 61896689 FRRRSUUYGBYBFC-INIZCTEOSA-N 420.460 5.439 0 3 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 3978432 KZJWDPNRJALLNS-BSJPTTOTSA-N 414.718 8.025 0 1 HKAF CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCc1ccc(OCC)cc1 4274704 WJBOEGPDLZEEAW-XZOQPEGZSA-N 412.530 5.051 0 1 HKAF O[C@H](CNCCc1ccccc1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 5127538 MAVZDIQQAYQMET-LJQANCHMSA-N 413.348 5.295 0 1 HKAF CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(C(C)C)cc1Cl 13584794 AMYOUBCJPDSVMX-UHFFFAOYSA-N 414.981 5.883 0 1 HKAF CC(C)=CCn1c2c(ccc1=O)[C@@H](NCCc1ccc(Cl)cc1Cl)CCC2 13743308 ZKQVLGQGABNQSV-FQEVSTJZSA-N 405.369 5.331 0 1 HKAF CC1(C)Nc2ccc3c(c2C(C)(C)C1=O)[C@H](c1ccc(Cl)cc1)Oc1ccccc1-3 13796856 BSNXEAPCSYQIRZ-QHCPKHFHSA-N 417.936 6.540 0 1 HKAF CC(C)(C)c1ccc([C@H](c2cccc(O)c2)N2CCC(Cc3ccccc3)CC2)cc1 13803303 GDFJLRYCRUZCCR-MUUNZHRXSA-N 413.605 6.734 0 1 HKAF COc1cccc2c(-c3c(O)cc4c(c3O)[C@H](C)N(C)[C@@H](C)C4)c(C)cc(OC)c12 14421092 WRXPLBVTINZPLM-GJZGRUSLSA-N 407.510 5.181 0 1 HKAF biogenic COc1ccc(CCN2CCC[C@H]2CO[C@H](c2ccccc2)c2ccc(F)cc2)cc1 27198532 OAIPEBVIVGXXCA-AHKZPQOWSA-N 419.540 5.647 0 1 HKAF Cc1ccc(C)c(-c2[nH]c3ccccc3c2CCNCCCCc2ccc(O)cc2)c1 27556048 PQCULIUFXOHFMB-UHFFFAOYSA-N 412.577 6.312 0 1 HKAF O=C(O)c1ccnc(C2=C(c3cc(Cl)ccc3OCc3ccccc3)CCC2)n1 28819293 HNQXXCLLKSAENB-UHFFFAOYSA-N 406.869 5.502 0 1 HKAF Cc1ccccc1C1(N2CCC3(CC2)C(=O)NC[C@@H]3c2ccc(F)cc2)CCCCC1 36222075 HQSPTAIHUHMQIB-XMMPIXPASA-N 420.572 5.289 0 1 HKAF O=C(O)CC/C=C\C[C@@H]1CO[C@H](c2ccc(C(F)(F)F)cc2)O[C@H]1c1cccnc1 36242279 XOQYYYDNOJHZEH-ICGKAVCQSA-N 421.415 5.314 0 1 HKAF C[C@]12CC[C@H]3[C@H](CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@@]43C)[C@@H]1CCC2=O 40487369 FXJBFSBELBAUFO-YQRVHGDFSA-N 413.565 5.409 0 1 HKAF O=C(c1ccccc1)N1N=C(c2ccccn2)C[C@H]1c1ccc(Oc2ccccc2)cc1 42923643 FLWONQIUWUIUMO-SANMLTNESA-N 419.484 5.865 0 1 HKAF CC(C)(C)OC(=O)/C=C/c1cn(C(=O)/C=C/c2ccc3c(c2)OCO3)c2ccccc12 45286334 ZQKCIUVREJUWSE-JOWSBRCASA-N 417.461 5.079 0 1 HKAF CC1(C)C=Cc2cc([C@H](c3ccccc3)n3cnc4cc(Cl)ccc43)ccc2O1 72178125 JGFJXNFYKXZXGK-DEOSSOPVSA-N 400.909 6.512 0 1 HKAF C[C@@H](CCc1ccccc1)Nc1cc(Oc2ccc3oc4ccccc4c3c2)ncn1 82067613 PPVWWDGGDKPFBX-SFHVURJKSA-N 409.489 6.602 0 1 HKAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)OCCC3CCCCC3)C2)co1 82069647 WWBPWFBOSIEIQY-HXUWFJFHSA-N 424.541 5.016 0 1 HKAF Cc1ccccc1-c1nc(NC2CCCC2)ncc1-c1ncc(-c2ccccc2)s1 82177115 WXYFUZDEJPOFBT-UHFFFAOYSA-N 412.562 6.597 0 1 HKAF CCCc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NCC(C)C)n2)cc1 82195815 SPHFRERJJOAUAC-SFHVURJKSA-N 405.633 5.068 0 1 HKAF O=C1Nc2ccc(Br)cc2/C1=C(/c1ccccc1)c1nc2ccccc2[nH]1 84739133 WZKZZKWFFLVCIE-FMQUCBEESA-N 416.278 5.237 0 1 HKAF FC(F)(F)c1nc2ccc(OCc3ccc4ccccc4n3)cc2n1-c1ccccc1 103247868 SBEOPBCZJGHXGK-UHFFFAOYSA-N 419.406 6.172 0 1 HKAF C[C@H](c1cccc2ccccc12)N1CCC(C(=O)NCc2cccc(Cl)c2)CC1 169312120 WHZPHVPDKZDBLF-GOSISDBHSA-N 406.957 5.583 0 1 HKAF CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@@H]4[C@H]3CC[C@@]21C)C(C)C 255263569 RUTWTMKUPVASND-IQTGJMGMSA-N 400.691 7.635 0 1 HKAF COc1cc(O)c(C(=O)[C@@H]2CC=C(C)[C@H](CC=C(C)C)[C@H]2c2ccccc2)c(O)c1 257395692 CIQQYRZTKOGULG-YZUZCNPQSA-N 406.522 6.012 0 1 HKAF COc1ccc2c(Sc3cc(OC)c(OC)c(OC)c3)c(-c3ccccc3)[nH]c2c1 473101456 JOWLYQJNJNGREB-UHFFFAOYSA-N 421.518 6.021 0 1 HKAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3occ4c3CCC4)[nH]c12 586905510 RPVNUWCFVBIKSR-UHFFFAOYSA-N 411.383 5.583 0 1 HKAF CCCn1cnc2cc(-c3nc4cnc5ccccc5c4[nH]3)cc(Br)c21 587003141 FVKXUHUOUYIVCS-UHFFFAOYSA-N 406.287 5.300 0 1 HKAF Cc1cc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cc1Br 587074365 UCGQLTNPWYUYKZ-SFHVURJKSA-N 404.739 5.624 0 1 HKAF Fc1cc2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc2cc1Br 587128138 GSVFCVPWJKFTHK-UHFFFAOYSA-N 424.245 6.193 0 1 HKAF COc1c(F)ccc(F)c1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587133515 YZBYGTFSLFTOLT-UHFFFAOYSA-N 423.135 5.178 0 1 HKAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 587158679 JQFNGLOHMJICQN-UHFFFAOYSA-N 420.447 6.500 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2([C@H]3C[C@H]4C[C@@H]2C[C@@](Cl)(C4)C3)[C@H]1c1ccc(F)cc1 587328818 VXFNINHHWFPBPC-WESARCIESA-N 412.888 5.447 0 1 HKAF Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(F)cc1Cl 587332462 LOUXNRPFTPOSMM-FYYLOGMGSA-N 414.835 5.907 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CCC[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 587355886 XGJADAVXYHJPHV-VFHOHQAYSA-N 402.465 5.987 0 1 HKAF O=C1c2ccc(O)cc2O[C@@]2(CC3(CCC3)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 587356426 JSWTTWUXSKAXMU-ZEQKJWHPSA-N 416.448 5.491 0 1 HKAF COc1cccc(-c2cc(-c3ccc(O)c(Cl)c3)nc3c2oc2ccccc23)c1 587356931 CFNYBQZNDHWKJX-UHFFFAOYSA-N 401.849 6.683 0 1 HKAF COc1cccc(-c2cc(-c3cc(C)c(Cl)cc3F)nc3c2oc2ccccc23)c1 587360932 UZTNKCIKAJMLDW-UHFFFAOYSA-N 417.867 7.425 0 1 HKAF COCCCC[C@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587382958 UQCXITIDTJJTOA-OAQYLSRUSA-N 407.432 5.273 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(COc4c(C)cccc4Cl)o1)[C@@H](C2)C3=O 587421988 OLPBFVSDMWWKRU-QMHKHESXSA-N 410.853 5.318 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1cn([C@H](CC)C(=O)O)c3ccccc13)CC2=O 587469799 FYBJSTSLHXYQQO-CLOONOSVSA-N 421.493 5.216 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)CC2=O 587477097 UKIRDEBOPLIMEV-VWLOTQADSA-N 424.500 5.904 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cccc3cnccc13)CC2=O 587492894 YHPAMHQCBBWQAA-MHZLTWQESA-N 409.485 5.802 0 1 HKAF Cc1c(Cl)cccc1OCc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587506710 OGAABBQOKUYOHJ-XMMPIXPASA-N 422.908 6.406 0 1 HKAF O=C(O)Cc1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 587529141 JLHPJEJFILTXRB-RUZDIDTESA-N 412.485 5.566 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1ccc(O)cc1 587607919 IVJCEBBCIBRERN-IGKIAQTJSA-N 424.452 5.198 0 1 HKAF CC(C)=C[C@@H]1[C@H](C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)C1(C)C 587657182 XWKKUMQCIMPXST-YLJYHZDGSA-N 408.448 5.220 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)cc(Cl)c2)N1 587696764 FDILXIRMGZLKEO-VVVCHXIZSA-N 403.122 5.693 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)cc2Cl)N1 587697316 SPWBIIBYIICSEV-HUTHGQBESA-N 403.122 5.693 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC3CCCC3)cc2)N1 587807899 FAWUVNCDCNXWEL-LRTDBIEQSA-N 404.323 5.533 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(c2ccccc2)c2ccccc2)N1 587821510 VDLONVHJFCNHQH-NPMXOYFQSA-N 410.330 5.996 0 1 HKAF CC[C@]1(C)C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2O1 587832314 JLTBBVIECRFBMS-JDORSLCVSA-N 404.323 5.317 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccc(O)cc12 587835736 XVANADWSCQRUGK-YTEVENLXSA-N 410.286 5.100 0 1 HKAF COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1SC 587843542 ISJAYLVBAFXELU-WYRIXSBYSA-N 410.352 5.116 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CSc2ccc(Cl)cc2)N1 587848846 YIBWIZAJMGBYFY-VOJFVSQTSA-N 414.771 5.783 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)s2)(C2CCC2)N1 587850088 XBIKBIOYSQSQIN-YPMLDQLKSA-N 414.771 5.881 0 1 HKAF COc1ccc([C@H](c2ccccc2)c2nc3c(C)c(Br)cnc3[nH]2)cc1 587931555 AOCMKVRDCGYBSR-SFHVURJKSA-N 408.299 5.218 0 1 HKAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(Br)c(C)nc3[nH]2)cc1 587933878 YDDBUULHBDBFLR-LJQANCHMSA-N 408.299 5.218 0 1 HKAF Cc1cc(OCCn2c(O)cc(-c3ccccc3F)c2O)c(C(C)C)cc1Cl 587942086 UXBBSFKAPOHIGA-UHFFFAOYSA-N 403.881 5.870 0 1 HKAF CCc1ccc(C(=O)CCc2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 587955531 MLGLDGGZNWMEQC-UHFFFAOYSA-N 415.331 5.491 0 1 HKAF Cc1ccccc1C(C)(C)c1nc2c(Br)ccc(Br)c2[nH]1 587955648 RYWIZFRXENKPGY-UHFFFAOYSA-N 408.137 5.722 0 1 HKAF CC[C@]1(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CC(=O)c2ccccc2C1 587959798 HXBKYORPWDZJOM-LJQANCHMSA-N 423.385 5.380 0 1 HKAF CCOc1cc([C@H]2c3ccsc3CCN2Cc2cccn2C)ccc1OC(C)C 962400054 SCRDWVJHXAXBGB-DEOSSOPVSA-N 410.583 5.420 0 1 HKAF CC(C)C[C@@]1(c2ccnc(Cl)c2)c2cccc(F)c2CCN1[C@H]1CCSC1 962706785 OOAQLEVIGPMTKT-HTAPYJJXSA-N 404.982 5.527 0 1 HKAF COc1ccc2c(c1)[C@H](c1cn(-c3ccc(C)cc3)nc1C(C)(C)C)N[C@H]1CC[C@H]21 962998335 VJJILSXSNRZDCU-FGCOXFRFSA-N 401.554 5.425 0 1 HKAF Cc1sc2c(c1C)CCN[C@@H]2c1cc(Br)ccc1N1CCCCC1 963022882 KSXZMQCKWSFBNG-LJQANCHMSA-N 405.405 5.353 0 1 HKAF Cc1ccc(C)c([C@]2(CCCCCC(=O)O)NCCc3c(Cl)cc(Cl)cc32)c1 963107352 MHXUYWLVNRQAIW-QHCPKHFHSA-N 420.380 6.035 0 1 HKAF CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1cccc(C(=O)O)c1 1857565255 KEITZRNNIBOSMD-UHFFFAOYSA-N 406.265 6.049 0 1 HKAF CCCc1nn(C)c2c(NCCc3ccccc3Cl)nc(/C=C/c3ccco3)nc12 1857571388 MFQNHHKUNLCQJV-VAWYXSNFSA-N 421.932 5.387 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@@]4(C)C3=CC[C@]21C)C(C)C 2356453262 SQDMPVUEHGQIMQ-CQTXDFSWSA-N 410.686 7.721 0 1 HKAF CCC1=C[C@H](C)[C@@H]2C(C)=C[C@](C=C(C)C=Cc3ccccc3)(CC)[C@@](C)(C(=O)O)[C@H]12 2356547007 VCBYDJOKOOTWFM-CYAVILNLSA-N 404.594 7.312 0 1 HKAF CC1=C(C=CC2=CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@@H](C)CCCC(C)(C)O)[C@H](O)CCC1 2356594350 REBCKWLPJGCBRY-WSXDNQGXSA-N 400.647 6.734 0 1 HKAF CCN(CC)C(=O)c1cccc(-c2csc([C@H](O)c3cccc(Cl)c3)n2)c1 61905234 TYVYSFYCEXROQH-LJQANCHMSA-N 400.931 5.027 0 3 HKAF C[C@@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1)c1ccc(F)cc1 4055861 BYRLNCJUPBCBAW-XFEVJDRUSA-N 422.887 5.448 0 1 HKAF O=C(c1ccco1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 6579206 NWAQOASMFJOTSL-LOSJGSFVSA-N 414.549 5.015 0 1 HKAF O=C(CCc1ccccc1)Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1 13472551 AGAXSGXJCXSDEI-UHFFFAOYSA-N 408.457 5.418 0 1 HKAF O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc(-c4cccnc4)cc3)ccc21 14977084 INUNTZWRDQTYAT-FQEVSTJZSA-N 403.478 5.101 0 1 HKAF CCn1c(Nc2ccccc2Cl)nc2cnc(Nc3c(F)cccc3F)nc21 16052082 ZWKOUFZHPNIQSH-UHFFFAOYSA-N 400.820 5.265 0 1 HKAF in-vivo C[C@@H](CCN1CC[C@@H](NCc2ccc(-c3ccc(Cl)cc3)o2)C1)CC(C)(C)C 22932301 HVSUVGONQPOCEW-GHTZIAJQSA-N 403.010 6.226 0 1 HKAF CCCC[C@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)O)cc3C)c2c1 26498635 UVGDLUJZHZVXMK-SFHVURJKSA-N 406.526 5.851 0 1 HKAF CSCC(=O)N(CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12 26742439 TVWYJYYYLAQLON-UHFFFAOYSA-N 403.469 5.797 0 1 HKAF O=C(O)Nc1cc(Cl)c(-c2cccc3c(-c4ccccc4)c(O)ccc23)c(Cl)c1 28524627 YTJRUGBPZHFBMK-UHFFFAOYSA-N 424.283 7.276 0 1 HKAF COc1cc(-c2[nH]c(-c3ccoc3)nc2-c2ccc(N(C)C)cc2)cc(OC)c1OC 29463837 DFCHGICQYHQGCO-UHFFFAOYSA-N 419.481 5.096 0 1 HKAF CC(=O)c1ccc(/C=C\[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)cc1 58618270 SDNCVCAZOCMWEP-NJHOLIOHSA-N 416.561 5.895 0 1 HKAF CN1CCCC[C@@H]1[C@H](NC(=O)c1cccc(C(F)(F)F)c1Cl)c1ccccc1 66259863 XPXKFXNVIAOBEI-IEBWSBKVSA-N 410.867 5.314 0 1 HKAF CC(C)(C)c1ccccc1Oc1ncccc1Nc1ncc(-c2ccccc2)s1 96271735 RFHIIOAMMPMUBU-UHFFFAOYSA-N 401.535 7.039 0 1 HKAF C1=C(c2csc3ccccc23)C[C@H]2CC[C@H]1N2CCOc1cccc2[nH]ccc12 101019736 OJXKZZVZQUPMPM-RTBURBONSA-N 400.547 6.082 0 1 HKAF CCC[C@H](C)OC(=O)Nc1cc2nc(C3CCCCC3)[nH]c2cc1N(CC)CC 103239794 VSAKBYSJBCKWOW-INIZCTEOSA-N 400.567 6.194 0 1 HKAF CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)CC1(CNC(=O)OC(C)(C)C)CCCCC1 103266943 CPFQCTGXADBZBN-ZCNNSNEGSA-N 409.611 5.856 0 1 HKAF COc1cc(/C=C/c2ccc(OCCCCCCN3CCCC3)cc2)cc(OC)c1 103299343 TYJWJWNYNQXCKH-MDZDMXLPSA-N 409.570 5.909 0 1 HKAF OC1=C2C(=Nc3nc(SCc4ccccc4)nn3[C@@H]2c2cccc(F)c2)CCC1 103948231 LIWZVWLWVMWBSN-HXUWFJFHSA-N 406.486 5.381 0 1 HKAF CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cccs2)C2=C(O)CC(C)(C)CC2=N1 104004182 FRULDNZHGGTRCP-OAQYLSRUSA-N 407.539 5.535 0 1 HKAF O=C(O)c1ccc2c(c1)nc(Nc1cc(F)cc(C(F)(F)F)c1)c1ccsc12 167768300 IYTNMPJUQIAHHS-UHFFFAOYSA-N 406.360 6.049 0 1 HKAF O=C1Nc2ccccc2[C@@]12N[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]21CCCCC1=O 169342275 OYVPINFOQJXIJW-QKBZBAIHSA-N 422.528 5.092 0 1 HKAF Cc1nc2c(-c3ccccc3)c(C)nn2c(O)c1Cc1ccc(Br)cc1 253496736 SNDVERJVZYZHOR-UHFFFAOYSA-N 408.299 5.072 0 1 HKAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC=C2c1ccnn1-c1ccccc1 253852578 MEYBRQJIPYRMAI-JZRRMPSYSA-N 414.593 6.189 0 1 HKAF CC(=O)OC1[C@H]2CC[C@H]1[C@H]1[C@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 254079208 SBDFAYSYHLEGJM-UBVNHFLMSA-N 424.966 5.036 0 1 HKAF O=C(Nc1ccccc1F)Nc1cc2ncncc2cc1OCc1cccc(F)c1 473152438 UAZMQWLXOSXLNU-UHFFFAOYSA-N 406.392 5.131 0 1 HKAF Cc1ccc2c3c(cc(-c4ccncc4Br)nc13)-c1ccccc1C2=O 586994102 UJGGWECJQRHPHX-UHFFFAOYSA-N 401.263 5.579 0 1 HKAF Fc1cc(Cl)cc2nc(COc3ccc4ccccc4c3Br)[nH]c12 587000690 JUUWNDGYRBVBEZ-UHFFFAOYSA-N 405.654 5.850 0 1 HKAF Cc1cc2c(Br)ccc(-c3nc4ccc(Br)cc4[nH]3)c2o1 587004704 ZEAKALVZZZJKIV-UHFFFAOYSA-N 406.077 5.810 0 1 HKAF Cc1cc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c2cc1C 587121468 FKGNXTKXNABHSI-UHFFFAOYSA-N 403.429 6.177 0 1 HKAF Cc1c(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587166497 UMQJXQMVXGBROQ-UHFFFAOYSA-N 411.484 5.514 0 1 HKAF O=C1c2ccccc2-c2cc(CCc3ccc(OC[C@@H]4CO4)cc3)nc3cccc1c23 587209462 PUBLRMZULCWISA-HXUWFJFHSA-N 407.469 5.009 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(OC4CCOCC4)cc3)nc3cccc1c23 587209919 XCMBYCFUZJSXMU-UHFFFAOYSA-N 407.469 5.671 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H](c3cccnc3)C2)[C@@H]1c1ccc(F)cc1 587336180 JJQNTROEAACQIV-HGMMTPDKSA-N 403.453 5.382 0 1 HKAF COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1OC 587351612 NBHDMZURDQXJAT-DHLKQENFSA-N 422.452 5.131 0 1 HKAF CCc1c(CCc2ccccc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587366629 XPDJUUSEAVGWAC-UHFFFAOYSA-N 407.513 7.004 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3cccc(Cl)c3Cl)o1)O2 587378783 PUNQNTITAUZTRH-IBGZPJMESA-N 418.276 5.763 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OC)c1C(F)(F)F)CC2=O 587462060 OVRSZKMJIPYYTB-QGZVFWFLSA-N 410.388 5.087 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(Cl)c(Cl)c3)o1)CC2=O 587463521 YBODZFKMOQFCQZ-NRFANRHFSA-N 417.288 6.618 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OC(=O)c3ccc(C)cc3)c1)CC2=O 587478949 LEUZMMYHTXZUTO-DEOSSOPVSA-N 416.473 5.579 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cccc(CC(=O)O)c3)cc1)CC2=O 587480125 FJTIYXPZUNIKKT-XMMPIXPASA-N 416.473 5.345 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1C(=O)O)(c1ccccc1)CC2=O 587490928 SWFGJNSYBVACFR-AREMUKBSSA-N 416.473 5.146 0 1 HKAF O=C(c1ccco1)c1cc2ccccc2nc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587524021 ITFLQPMHVYEPJP-XMMPIXPASA-N 423.468 5.644 0 1 HKAF C[C@@H]1CCCCCCCCCCCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587524071 JYXZLJKMFDHXOE-DFHRPNOPSA-N 410.642 7.990 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccncc2)cc1F 587553333 GOGHRGYTZSRXCM-RCZVLFRGSA-N 413.404 5.296 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccccc1F 587567365 GZYAXYZOURSQSD-BVAGGSTKSA-N 412.416 5.437 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCCC2)cc1F 587568826 NMDCSCNGRMSRDF-RCZVLFRGSA-N 419.452 5.225 0 1 HKAF Cc1ccc2[nH]c3c(c2c1)[C@]1(CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588002 IYCCDPIJCMKUKP-OZXSUGGESA-N 411.457 5.375 0 1 HKAF Cc1ccc(-c2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)o1 587610682 GNOPMCVYYOSICY-WIYYLYMNSA-N 405.431 5.120 0 1 HKAF Cc1cc(Cl)cc2c(Oc3cccc4c(O)nccc34)c(-c3ccccc3)[nH]c12 587626003 BKDBEKJESDMOBV-UHFFFAOYSA-N 400.865 6.843 0 1 HKAF O=C(c1cccc(Br)c1)c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587628116 HTGDKWBOQZNFQP-UHFFFAOYSA-N 420.587 5.973 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccccc2Cl)N1 587700705 VVVSTMZFRNDTHX-ODXCJYRJSA-N 419.725 5.656 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC(F)(F)F)c2F)N1 587721394 PUFLILZHKZNXGZ-PWJLMRLQSA-N 422.191 5.250 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNc3cc4ccccc4cc32)N1 587800080 ZVXHWNFZKKRYMG-DMZKTXOQSA-N 411.318 5.335 0 1 HKAF CC(C)c1cccc2c1OCCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587835892 RFOVLMXNXNLTFY-RCDICMHDSA-N 418.350 5.662 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCOc3cc4c(cc32)CCC4)N1 587836448 UVPBFLDBJDABMJ-MCMMXHMISA-N 416.334 5.027 0 1 HKAF Cc1ccc(-c2nc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cs2)cc1 587853185 PKJDNXBFENMFNZ-HXPMCKFVSA-N 417.347 5.644 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2C(c2ccsc2)(c2ccsc2)N1 587857276 ZIBMLCJCAOLRMG-NSHDSACASA-N 408.361 5.537 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2c(C)cccc2s1 587860997 IRGRLCLTYRWTTP-UHFFFAOYSA-N 404.322 6.163 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1ccc(Cl)c(Cl)c1 587871787 BQQAGOYKKRRYQQ-UHFFFAOYSA-N 410.301 5.640 0 1 HKAF COc1ccc(C2=Cc3ccc(F)cc3[C@H](CC(C)=O)N2c2ccc(F)cc2)cc1 653786092 PNXWGAKEFPIVDK-VWLOTQADSA-N 405.444 6.012 0 1 HKAF Cc1cccc([C@@]2(CC(C)(C)C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1C 962986447 BXRBNURCQJNCHW-WZONZLPQSA-N 421.915 5.514 0 1 HKAF CC(C)c1ccc([C@]2(c3ccc(F)c(F)c3)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963117636 XMLDDJDMVJBEDF-KCWPFWIISA-N 421.506 6.540 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1ccc2c(c1)Sc1ccccc1N2C 963576826 AGLJAVXXLABNIE-MQNRADLISA-N 418.562 5.560 0 1 HKAF COc1cc2c(cc1OC)[C@H]1Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N1CC2 1772608636 OPYGFRDPWJRCFO-YIXXDRMTSA-N 410.517 5.430 0 1 HKAF CC(C)c1ccc(OCCc2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 1857546614 ZQLPWWNRQFEDIL-UHFFFAOYSA-N 414.593 5.754 0 1 HKAF O=C(NOCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1857621440 VSFDKKYINKBMMT-UHFFFAOYSA-N 403.869 5.054 0 1 HKAF O=C(CC(CC(=O)c1ccc(Cl)nc1)c1cccs1)c1ccc(Cl)nc1 1911575900 ORPYLWCMVDSCFP-UHFFFAOYSA-N 405.306 5.475 0 1 HKAF CC(=C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CC(C)C 2356510485 BGSMFVUPLGHSLT-PGAJIAHISA-N 400.691 7.635 0 1 HKAF C[C@H](C1=NC[C@@](C)(O)CC1)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356648363 YCTLKNVWQFQYLE-KMPNGZQTSA-N 413.646 5.548 0 1 HKAF O=C(Nc1ccccc1)c1cc([C@H]2CCCCN2C(=O)CCCc2ccccc2)on1 61905965 RIMUQFJPVUVSFE-JOCHJYFZSA-N 417.509 5.003 0 3 HKAF O=c1c(-c2ccco2)nc2ccccc2n1[C@H](c1ccccc1)c1nc2ccccc2[nH]1 95567633 QSZPNIGPXGQTSF-XMMPIXPASA-N 418.456 5.171 0 3 HKAF COc1ccc(-c2cc(-c3ccccc3)nc(N)c2-c2ccc3ccccc3c2)cc1 1649551 HPYOPVSXHVYYEX-UHFFFAOYSA-N 402.497 6.827 0 1 HKAF CC(=O)Nc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F 13518715 SBIZKLILLFBQJK-UHFFFAOYSA-N 413.374 5.266 0 1 HKAF Fc1ccc(C(OCC2CCN(CCc3ccccc3)CC2)c2ccc(F)cc2)cc1 13746594 VXPFVQWPGOMCSV-UHFFFAOYSA-N 421.531 6.026 0 1 HKAF Cn1ccnc1-c1ccc(OCCCCCOc2ccc(-c3nccn3C)cc2)cc1 27441336 LTLBITJBNYSFHV-UHFFFAOYSA-N 416.525 5.116 0 1 HKAF CC(C)(c1cc(-c2cccc(-c3ccncc3)c2)c2ncccc2c1)S(C)(=O)=O 29037752 MZEUFXJDMMSPCB-UHFFFAOYSA-N 402.519 5.244 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34165712 SJZZRXMQSAXCFD-BOIXCKSDSA-N 418.662 5.763 0 1 HKAF biogenic,in-vitro CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 39205543 PUGBZUWUTZUUCP-HGZNMOHHSA-N 400.691 7.635 0 1 HKAF CSc1ccc2oc(-c3ccc(NC(=O)COc4ccccc4C)cc3)nc2c1 45349659 VKPCANRWSTXKBH-UHFFFAOYSA-N 404.491 5.543 0 1 HKAF Cc1cc(-c2noc(COc3ccc(Cl)cc3C(=O)c3ccccc3)n2)ccc1F 49807962 HHHKJTRGOVSTRL-UHFFFAOYSA-N 422.843 5.648 0 1 HKAF CCOP(=O)(OCC)[C@@H](NC(=S)N[C@@H](C)C1CCCCC1)c1ccccc1 59130114 BLADAJQBXMYKDO-QFBILLFUSA-N 412.536 5.384 0 1 HKAF COc1ccc([C@@H](c2c[nH]c3ccc(Br)cc23)N(C)c2ccccc2)cc1 71331485 LTMDZKARKGINDO-QHCPKHFHSA-N 421.338 6.165 0 1 HKAF COc1cc(N[C@@H](C)CCCN)c2nccc(C)c2c1Oc1ccc(F)cc1F 73198384 QUFCVHSAEFLIHV-AWEZNQCLSA-N 401.457 5.162 0 1 HKAF Cc1ccccc1-c1nc(NCc2cccc(Cl)c2)ncc1-c1nc(C)c(C)s1 82177332 YXQIUPGJSBVKAG-UHFFFAOYSA-N 420.969 6.458 0 1 HKAF CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(F)cc2)cs1 82193542 KMMJOGQBODTITA-JXFKEZNVSA-N 403.567 5.251 0 1 HKAF COc1c(C(F)(F)F)cc(NC(=O)c2cc(Cl)ccc2O)cc1C(F)(F)F 95585926 KSVOFUVHDQRLNN-UHFFFAOYSA-N 413.701 5.344 0 1 HKAF COc1cc2c(cc1CC=C(C)C)[C@H]1COc3c(ccc(OC)c3CC=C(C)C)[C@H]1O2 95909827 FRRIDYJLRAVGPK-AJTFRIOCSA-N 420.549 6.331 0 1 HKAF biogenic,in-vitro OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@@H](C1)N2Cc1coc2c1ccc1ccccc12 101185522 UNGWGGUPRUDQFM-VXKWHMMOSA-N 417.936 6.254 0 1 HKAF CCOc1ccccc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)Nc1ccccc1C 104700751 NZYYVFKODILZAM-XMMPIXPASA-N 416.521 5.841 0 1 HKAF CN1[C@H](C[C@@H](O)c2ccccc2)CCC[C@H]1CC(O)(c1ccccc1)c1ccccc1 105518121 JENMHGAQDBWNHC-GMQQYTKMSA-N 415.577 5.289 0 1 HKAF Clc1ccc(CNc2n[nH]c3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1 147811919 BHHBHLTTYHJJQZ-UHFFFAOYSA-N 414.900 5.135 0 1 HKAF CO[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)C[C@@H]2CC[C@H]1c1ccccc12 164979248 WJZQMTNKCMFTFN-NDIWIEOSSA-N 403.570 5.268 0 1 HKAF C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(c1ccccc1)CCN2CCC(=O)c1ccccc1 169315280 IJRGONZJOZHJBX-LVPRMVSMSA-N 411.545 5.218 0 1 HKAF CCC(CC)NC[C@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1 169336020 RJXAHGNHTYYDOQ-KRWDZBQOSA-N 420.397 5.598 0 1 HKAF C[C@H]1CCCCN1c1nc2cc(C(=O)O)ccc2nc1-c1cc2cc(F)ccc2o1 205429710 CSTJTUFMIXTJLT-ZDUSSCGKSA-N 405.429 5.259 0 1 HKAF COc1cc(-c2[nH]nc3nccc(-c4ccc(C(C)C)cc4)c23)cc(OC)c1OC 218290101 FCAYUKXOJBLDBX-UHFFFAOYSA-N 403.482 5.441 0 1 HKAF CCC(=O)CCc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 224723106 QPZLPAWHYDKCJE-UHFFFAOYSA-N 423.560 5.918 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H]1C(=O)O[C@H](C)[C@H]1OC(C)=O 238747847 LFCWALIIPYISGL-IRAYYAPXSA-N 400.559 6.011 0 1 HKAF C=C(Nc1ccc(C(C)(C)C)cc1)N1[C@H]2CC[C@@H]1C[C@@H](S(=O)(=O)c1ccccc1)C2 253805206 KJMLHNUYGCMMLF-ACHVPNTGSA-N 424.610 5.337 0 1 HKAF FC(F)(F)c1ccc(Oc2ccc(-c3noc(-c4c[nH]c5ncccc45)n3)cc2)cc1 299863281 KSGVMIOPASZHRM-UHFFFAOYSA-N 422.366 6.091 0 1 HKAF COc1cc(-n2ccc3ccc(Cl)cc32)cc2c1OCCN(Cc1cccnc1)C2 473131255 NHOHMOKFHBLNQP-UHFFFAOYSA-N 419.912 5.082 0 1 HKAF CC(=O)c1ccc(-c2cccc(-c3nc4cc(Br)cc(F)c4[nH]3)c2)cc1 586881414 WBVJQEIIZXHHPY-UHFFFAOYSA-N 409.258 6.001 0 1 HKAF FC(F)(F)Oc1cc(Br)cc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586883813 LTDHWGFCFMNHOC-OXKORPGDSA-N 415.253 5.692 0 1 HKAF CCCCC[C@@H](C(=O)OCC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989824 RBBGTGXJAXDKFL-QGZVFWFLSA-N 403.478 5.379 0 1 HKAF CCn1ncc(Br)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586994077 SNADPWQMDHPHKC-UHFFFAOYSA-N 418.294 5.401 0 1 HKAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587011969 OUEOCMIOZSCTFF-UHFFFAOYSA-N 411.534 5.417 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2c(C)c(Br)cnc2[nH]1 587014829 RJWXEXZDOVZUOW-UHFFFAOYSA-N 419.735 5.781 0 1 HKAF Cc1cc(Cl)cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 587017900 QNUKTBHEXIBZOO-UHFFFAOYSA-N 424.776 6.063 0 1 HKAF CC(C)(C)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587028204 WOKQGDWJOVZRRW-WTNAPCKOSA-N 421.610 5.997 0 1 HKAF Clc1ccc(-c2cc(-c3nc4cncc(Br)c4[nH]3)ccc2Cl)cc1 587047192 DLOVQDOOODAUAQ-UHFFFAOYSA-N 419.109 6.361 0 1 HKAF CCOC(=O)c1ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2c1 587072388 VGISPUWRFZVASO-UHFFFAOYSA-N 412.276 5.775 0 1 HKAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(CO)cc2[nH]1 587086026 CDXNKSXHRGUZFC-VQHVLOKHSA-N 413.308 5.086 0 1 HKAF O=C1c2ccccc2-c2cc(CCc3cccc(C(F)(F)F)c3)nc3cccc1c23 587102732 FDBMTPKGSNDCIK-UHFFFAOYSA-N 403.403 6.250 0 1 HKAF Cn1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)c(C(F)(F)F)c1 587113158 SHAYDNSOGBLIQF-UHFFFAOYSA-N 423.030 5.112 0 1 HKAF Nc1c(F)c(F)cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1F 587137330 ZYYFVHMCCWUYST-UHFFFAOYSA-N 410.115 5.011 0 1 HKAF Cc1ccc(-c2ccc(-c3nc4c(Br)ccnc4[nH]3)c(Cl)c2)cc1F 587145790 QUGLWYHAQYPLJG-UHFFFAOYSA-N 416.681 6.155 0 1 HKAF Fc1cc(Br)cc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 587160870 HEESPWAYLWSELB-UHFFFAOYSA-N 424.298 6.408 0 1 HKAF Fc1ccc(Oc2ccc(-c3nc4ccc(F)c(F)c4[nH]3)cn2)c(Br)c1 587161553 WGTYZOIUTBMDHJ-UHFFFAOYSA-N 420.188 5.597 0 1 HKAF COc1ccccc1Nc1ccccc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587241050 PINIWHWABVNPQE-UHFFFAOYSA-N 401.363 6.140 0 1 HKAF CC(C)Cc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587353525 LDUGASVNLBDGKK-RSXGOPAZSA-N 404.481 6.004 0 1 HKAF COc1cccc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc3c2oc2ccccc23)c1 587358840 UQNIRALQVKXZAG-UHFFFAOYSA-N 420.295 7.630 0 1 HKAF COc1cccc(-c2cc(-c3cc(Cl)ccc3N)nc3c2oc2ccccc23)c1 587359607 ZMVQNELLBWATHG-UHFFFAOYSA-N 400.865 6.559 0 1 HKAF COc1cccc(-c2cc(-c3ccc(NC(N)=O)cc3)nc3c2oc2ccccc23)c1 587362063 FBRLKIOSXISKCR-UHFFFAOYSA-N 409.445 5.814 0 1 HKAF CCCOc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 587364024 VWYCYDABCSEGJT-UHFFFAOYSA-N 409.485 7.112 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1nc4ccccc4n1[C@@H](C)c1ccccc1)[C@@H](C2)C3=O 587433230 WQYMLKQJMBMOHU-AMBFMVRQSA-N 410.473 5.143 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CCC)(c1ccc(Br)cc1F)CC2=O 587465538 FOQGAVAEFGXLNO-OAQYLSRUSA-N 421.306 5.907 0 1 HKAF C[C@]1(c2ccc(Br)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587494916 AYRYKXUKEWICCG-HXUWFJFHSA-N 405.719 5.862 0 1 HKAF O=C1C[C@@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587504550 HQIWWHRAPGGYFU-SANMLTNESA-N 420.911 6.461 0 1 HKAF O=C1C[C@@]2(CCc3cc(Br)cc(F)c32)Oc2c1ccc1c2CCCC1 587509473 SCNASHCIUFELEI-OAQYLSRUSA-N 401.275 5.274 0 1 HKAF Cc1noc(C)c1COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522911 FJCFSOMMPJGYLH-XMMPIXPASA-N 403.478 5.456 0 1 HKAF O=C1C[C@](c2ccccc2)([C@H]2CC=CC[C@H]2C(=O)O)Oc2c1ccc1c2CCCC1 587529564 PHLBRKOBGXPPNC-QTISVLPJSA-N 402.490 5.093 0 1 HKAF Cc1cc(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl 587548764 XUISXSOIKJTNFV-LAUBAEHRSA-N 401.245 5.710 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCC(F)(F)F 587551044 XVKKDPKAZNDXEJ-GHTZIAJQSA-N 416.351 5.036 0 1 HKAF C[C@]1(c2c(Cl)ccc(F)c2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552579 AVRFLNSXQCNCKY-LAUBAEHRSA-N 419.235 5.715 0 1 HKAF CCc1c(CNC(=O)OC(C)(C)C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626722 WONNQRFQYPTRJJ-UHFFFAOYSA-N 410.358 5.793 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccccc1C(F)(F)F 587655491 KDKBUXUZONDHEX-UHFFFAOYSA-N 402.322 5.350 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cccc2N2CCCC2)N1 587698715 ZUZHDLCDGMGIRV-YUNKPMOVSA-N 423.757 5.465 0 1 HKAF CC[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587709879 CUSCTECYXHVDJH-BBATYDOGSA-N 416.256 5.795 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(OC(F)(F)F)c2)N1 587715453 BWTDFEJOUJWFPW-VPTHRUTESA-N 422.191 5.250 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)-c2ccccc2C3)N1 587816187 VDJKJAINIVZXDX-BSEYFRJRSA-N 422.341 5.957 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc3ccccc3o2)(C2CC2)N1 587833119 MAEHLFHNWMYWME-GTJPDFRWSA-N 400.291 5.522 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3nccs3)cc2)N1 587851150 AVYBLPIVEIYGKT-ADLMAVQZSA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(C(F)(F)F)nn1 587855773 RNTSBBXPFDWCKU-UHFFFAOYSA-N 403.191 5.054 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(OC(F)(F)F)cc1 587864418 GLDXWFLYADRXGU-UHFFFAOYSA-N 416.321 5.855 0 1 HKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587952992 YSPDXPOBMZXCPH-CEQIKUNHSA-N 405.567 6.886 0 1 HKAF COc1ccc2c(c1OC)[C@H](c1cc(C(C)(C)C)cc(C(C)(C)C)c1)N(C)[C@@H](C)C2 962637747 TYXORDARRUGZNQ-XDHUDOTRSA-N 409.614 6.265 0 1 HKAF CCOc1ccc(OC[C@]2(C3CCCC3)N[C@@H](CC)Cc3c2[nH]c2ccccc32)cc1 962945673 JOYVGDYDJWHNQS-CCLHPLFOSA-N 418.581 5.955 0 1 HKAF COc1ccc2c(c1)[C@H](c1nc(-c3cc(C)c(OC)c(C)c3)cs1)N[C@H]1CC[C@H]21 962997640 RGJXCYVQCVCAPX-KAGYGMCKSA-N 406.551 5.383 0 1 HKAF COc1ccc(CC[C@@]2(c3ccc(F)c(Cl)c3)NCCc3c(C)ccnc32)cc1 963075188 RFMTZBYXQCUQEW-DEOSSOPVSA-N 410.920 5.213 0 1 HKAF COc1c(C)cc(-c2csc([C@@H]3NCCc4c(Cl)cc(Cl)cc43)n2)cc1C 963117066 CGSPIYNASHPEGN-LJQANCHMSA-N 419.377 5.977 0 1 HKAF Cc1ccc([C@]2(c3c(N)sc4c3[C@H]3CC[C@H]4C3)NCCc3ccc(O)cc32)cc1 963342044 QILOHKVKFYKIJF-TZPNTHKFSA-N 402.563 5.147 0 1 HKAF Cc1ccccc1Oc1cc(-n2c(O)nc(C(F)(F)F)cc2=O)c2ccccc2c1 1857611313 LZLNIHXKWZZQLE-UHFFFAOYSA-N 412.367 5.211 0 1 HKAF CC(C)CC[C@H](O)[C@](C)(O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857626827 MPYAIDWTDSTPEU-ZMWHBFHISA-N 420.678 5.554 0 1 HKAF CN(C)C(=O)/C=C/c1ccc(-c2nc3c[nH]c4nccc-4c3n2C2CCCCC2)cc1 1857751113 BKSAEVHNGVURBS-JLHYYAGUSA-N 413.525 5.138 0 1 HKAF CC1(C)CCC2=C(C1)C1=CC[C@@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(C)CC2 2356470259 UNULJZGBTGCCHL-MJXUHYPSSA-N 410.686 7.843 0 1 HKAF CC(C)=CCCC(C)=CCC[C@]1(C)OC(=O)[C@H](C(=O)c2ccc(O)cc2O)[C@@H]1C 2356599177 PUFZTKZBPIVBQR-JBUDQFAYSA-N 400.515 5.321 0 1 HKAF COc1ccc(C=C2OC(=O)C(Cc3cc(Cl)c4c(c3)OCO4)=C2C(C)C)cc1 2356613306 GNRHIDBFAWGJDI-UHFFFAOYSA-N 412.869 5.170 0 1 HKAF CC(C)=CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CC[C@H](C)CCO)[C@@](C)(O)CC[C@H]21 2356621519 DNPNGMPLSLKKCQ-FGBLIBFFSA-N 408.623 5.268 0 1 HKAF C[C@H](CC=CC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356707974 CRBBVTAXSNJDMS-ZHHJOTBYSA-N 400.647 6.280 0 1 HKAF CC(C)=CCCC(C)=CCC[C@](C)(O)[C@H]1Cc2c(O)c(C(=O)O)c(C)c(Cl)c2O1 2356719914 LGWHIUKSRDCMLJ-HXOBKFHXSA-N 422.949 5.580 0 1 HKAF C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H](CC[C@@H]4[C@@H]3CC[C@@H]3CC(=O)CC[C@]34C)[C@H]1[C@H]2C 2356772927 MKSOVCGCFFZGER-IHTWAXABSA-N 400.603 5.612 0 1 HKAF COc1ccc(Nc2nccc3c2cc(-c2cccc(C(F)(F)F)c2)n3C)cc1O 205209851 NUUVSAMPIKEKIE-UHFFFAOYSA-N 413.399 5.717 0 3 HKAF COc1cc(O)c(-c2ccc(OC)c3c(OC)cc(C)cc23)c2c1[C@@H](C)N(C)[C@H](C)C2 13359150 RNLKCMIGQLHEKX-HZPDHXFCSA-N 421.537 5.484 0 1 HKAF biogenic CC(C)CCC1=C(C(=O)O)[C@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21 13473464 WLUIGKNLTNDKIT-DEOSSOPVSA-N 424.493 5.611 0 1 HKAF Fc1ccccc1N1CCN(Cc2cn(-c3ccccc3)c(-c3ccccc3)n2)CC1 13491642 NKRWGVAMPNUXFY-UHFFFAOYSA-N 412.512 5.001 0 1 HKAF COc1c(CC=C(C)C)cc(C(=O)O[C@@]2(C(C)C)CC=C(C)CC2)cc1CC=C(C)C 14444503 FTUGJEDDHXBMPK-NDEPHWFRSA-N 424.625 7.394 0 1 HKAF biogenic CC(C)=CCC/C(C)=C/Cc1c(O)ccc2c1OC[C@H]1c3cc4c(cc3O[C@H]21)OCO4 14614043 MNVKKIZBXXYHDP-JRRGRFIXSA-N 420.505 5.966 0 1 HKAF C=C1C(=O)C=C(Br)C(C)(C)[C@]12CC[C@@](C)(Cl)[C@@H](Br)C2 14966177 GBCRADGFVBSNKZ-CFVMTHIKSA-N 410.577 5.362 0 1 HKAF biogenic CC(C)COc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 27724178 FFRLVMNTSSMAOD-UHFFFAOYSA-N 402.925 7.099 0 1 HKAF CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccncc1 28384152 VUJDKWNVDRVZFX-UHFFFAOYSA-N 419.259 5.564 0 1 HKAF Cc1ccc(OCCCCCCCC(=O)O)c(C(=O)c2ccc(-n3ccnc3)cc2)c1 28392862 DNPVWBOTCIDFDX-UHFFFAOYSA-N 420.509 5.216 0 1 HKAF Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@H]2[C@H](C(=O)O)C1CC1 28563635 OOLVQJBWJFELGB-ISKFKSNPSA-N 417.505 5.412 0 1 HKAF N[C@H]1Cc2c(-c3ccccc3Cl)cccc2N(c2c(Cl)cccc2Cl)C1=O 29125761 OZTWHLIVKQRXHC-SFHVURJKSA-N 417.723 5.862 0 1 HKAF CC(C)=CC[C@@H](C(N)=O)N(Cc1cccc(C)c1)Cc1cc(-c2ccc(C)cc2)on1 29564656 GRHFHWHXOFFLAL-DEOSSOPVSA-N 417.553 5.171 0 1 HKAF COc1ccc([C@@H](NC(=O)C(F)(F)F)[C@@H]2CCCC=C2c2ccccc2)cc1OC 38142332 QJWPGXZNJDKHIZ-WIYYLYMNSA-N 419.443 5.307 0 1 HKAF Cc1cc(-c2cncs2)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 43011349 BTMKNAFNOUAPOO-UHFFFAOYSA-N 402.306 5.948 0 1 HKAF Cc1nc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccco2)sc1C 82165612 WLADHMFKVKJXNA-UHFFFAOYSA-N 418.566 6.387 0 1 HKAF CC1=C2C[C@]34CC[C@@H](C)[C@@]2(CC1)[C@@]3(C)CC1=CCC2=C1[C@@]41C=C[C@]3(CCC[C@@]34CN41)C2 85548121 QAODPFWMQBRVFP-JBLPOJJBSA-N 411.633 6.877 0 1 HKAF biogenic,in-vitro Cc1noc(-c2ccc3c(c2)c2c(n3CCCOc3ccc(F)c(F)c3)CCCC2)n1 95579850 INIZRZFCCGXAMP-UHFFFAOYSA-N 423.463 5.626 0 1 HKAF COc1ccc(C2=NN[C@H](c3c(C)nn(-c4ccccc4)c3-c3ccccc3)C2)cc1 103171875 ZWMJSPJPBPRXOF-DEOSSOPVSA-N 408.505 5.295 0 1 HKAF CCOc1ccccc1[C@H]1Nc2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C21 103869156 YUTWLGUNBPYWAY-UZTOHYMASA-N 410.517 6.714 0 1 HKAF Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-n4c(C)ccc4C)c(F)c3F)[nH]c2c1 113981951 BXARWXKLUVEOLM-UHFFFAOYSA-N 417.362 5.200 0 1 HKAF CC(C)/C=C/[C@@H](C)[C@H]1CC[C@@H]([C@@H]2CC=C3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO 147394379 YPMPBUHXNURWKY-WVDMASJRSA-N 402.619 5.316 0 1 HKAF CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NCCCCCCCN[C@@H]1C[C@H]3CC[C@]1(C)C3(C)C)C2 169308296 CHXUTRCKMKMTMW-STCUNNHWSA-N 402.711 6.546 0 1 HKAF CCCCN(CCCC)C[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2ccsc12 169336049 HWJUPCQTGUUGMP-OAQYLSRUSA-N 424.437 7.297 0 1 HKAF C/C=C(/C)C(=O)O[C@H]1C[C@@H](C)[C@](C)(CC[C@H](C)CC(=O)O)[C@H]2CCC[C@@](C)(O)[C@]12C 238748127 MQPZZRJJCAGMTC-JSGUEGIKSA-N 422.606 5.359 0 1 HKAF Cc1cc(O)cc2c1O[C@]1(C)CC[C@H]3[C@@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@@]43C)[C@@H]1C2 238752081 TZWCKPCQUXPESN-KOOVJOBVSA-N 410.598 6.232 0 1 HKAF CC(=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H]1N(C)[C@@H](C)OC[C@@]14C 238753478 KIKNIHBRBBRNQJ-ZKGGAELQSA-N 411.630 5.757 0 1 HKAF CC1(C)CC[C@]2(C)CC=C3[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]2C1 238755974 BBABFZDRVGJXDN-DPIYSSGESA-N 412.702 7.779 0 1 HKAF C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@H]3CC[C@H]3C(C)(C)[C@H](O)CC[C@]43C)[C@H]12 238774443 FECFVGBVIVEEFA-JIJUPEDOSA-N 412.702 7.635 0 1 HKAF CC[C@H]1C=C2NC(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]3[C@@H]12 261187933 YBSFMQHCAIWRPP-LFBSNKSNSA-N 413.690 7.348 0 1 HKAF Cc1ccc(CSCCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 586971646 WRSFKOPIWIKQEB-UHFFFAOYSA-N 415.587 6.624 0 1 HKAF CCOC(=O)[C@@H](Cc1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989661 NZSIRKHUNCGJHQ-FQEVSTJZSA-N 423.468 5.041 0 1 HKAF CCC1CCC([C@H]2CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)CC1 586990088 IZNBBBXZJLLEAD-ABHNRTSZSA-N 411.545 6.473 0 1 HKAF COC(=O)c1ccc(Oc2ccc3nc(CSCc4ccsc4)[nH]c3c2)cc1 587026145 RTLCHKCGTUYRFS-UHFFFAOYSA-N 410.520 5.637 0 1 HKAF CCOC(=O)Cc1ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc2c1 587031836 VQGAOMWLMWHPKY-HNNXBMFYSA-N 419.550 5.628 0 1 HKAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c2C1 587031990 OKCDAHLQDADQTH-UHFFFAOYSA-N 424.353 5.891 0 1 HKAF Clc1cc(Br)c2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 587052140 WZJYREMEJBVOIC-IUCAKERBSA-N 416.533 6.557 0 1 HKAF C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cnncc2[nH]1 587056807 UWBCDLHBHAUIJP-LLVKDONJSA-N 401.253 5.592 0 1 HKAF Cc1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1C 587064546 VKANUGVKPPGTHT-UHFFFAOYSA-N 415.924 6.534 0 1 HKAF Nc1ccc(-c2ccc3nc(-c4ccnc(SCC(F)(F)F)c4)[nH]c3c2)cc1N 587092169 SHNIYEOAFVFBPH-UHFFFAOYSA-N 415.444 5.111 0 1 HKAF COc1ccccc1-c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587106185 GSZSRMROWGGECQ-UHFFFAOYSA-N 413.476 6.789 0 1 HKAF Cc1c(Cl)ccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c12 587140620 DTAIWAQYUOIYBX-UHFFFAOYSA-N 400.881 6.762 0 1 HKAF Fc1ccc(Oc2ccc(-c3nc4ccc(Cl)nc4[nH]3)cn2)c(Br)c1 587160850 FOWUNUHANSYYLR-UHFFFAOYSA-N 419.641 5.367 0 1 HKAF CC(C)(c1ccc(F)cc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332103 IWDWNVROJGBUJZ-WIOPSUGQSA-N 408.444 5.766 0 1 HKAF C[C@@]1(C(=O)c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332709 RTOGBAAEAOLMER-NZQKXSOJSA-N 410.828 5.185 0 1 HKAF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)cc1OC(C)C 587423777 VZQOYFNSCJNUNC-QRQCRPRQSA-N 402.874 5.023 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1c(Oc4ccccc4)n(C)c4ccccc14)[C@@H](C2)C3=O 587431211 MZBLKDZPVXMYJA-DFBJGRDBSA-N 411.457 5.468 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2nc(Cl)cc(Cl)c21 587462092 PFGMVZFQQIMNNC-JOCHJYFZSA-N 420.336 5.880 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1sc(-c3cccc(F)c3)nc1C)CC2=O 587465441 CTNJBZXBHISRHT-QHCPKHFHSA-N 411.498 5.796 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCc1cccc(OC)c1)CC2=O 587484337 ZTHRJTVWTYKEDY-RUZDIDTESA-N 418.489 5.639 0 1 HKAF CC(C)C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587509297 RKTWYAPESMGGGM-QHCPKHFHSA-N 402.456 6.491 0 1 HKAF C[C@]1(c2ccc(-n3cnc4ccccc43)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587516109 QVWSUNHWINWLCS-HHHXNRCGSA-N 408.501 5.785 0 1 HKAF Cc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)CC(=O)c2ccc3c(c2O1)CCCC3 587533824 WNDYBRCDADXRLA-NDEPHWFRSA-N 408.497 6.168 0 1 HKAF C[C@@]1(c2cc(F)c(F)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555374 GHXMPRJEVMIJTC-NQIIRXRSSA-N 402.780 5.201 0 1 HKAF Cc1cc(OC(F)(F)F)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587557226 QTYQBKUQSDLCIR-GHTZIAJQSA-N 416.351 5.302 0 1 HKAF Cc1ccccc1-c1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603024 MMUHEQMLVNVFGY-IGKIAQTJSA-N 408.453 6.071 0 1 HKAF Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]c2ccc(Cl)cc12 587702889 XCYMJRFBBGAJAI-ZRNGKTOUSA-N 407.714 5.655 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(OCC3CC3)c2)N1 587718328 MYNCFYLUFFMEOR-PRWKNARSSA-N 408.286 5.140 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=C(c3ccc(F)cc3)CC2)N1 587732857 KGCMWTUVZAUHNK-LRTDBIEQSA-N 404.298 5.724 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3ccccc3)c2)N1 587812050 PBDLDHYMDWUANN-PEBXRYMYSA-N 412.302 6.004 0 1 HKAF CC(C)C[C@@]1(CCc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587814749 VIIJZSXHQAPDBT-OPAMFIHVSA-N 404.367 5.997 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc3ccccc3o2)(C(C)(C)C)N1 587831766 YFLQWBOEFUWHOC-WHEQGISXSA-N 416.334 6.158 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2SC(C)(C)C)N1 587839939 JGQQYORAADTLJY-HXPMCKFVSA-N 408.380 6.102 0 1 HKAF O=C(OCc1ccccc1)N1CCC[C@@H](c2nc(-c3cccc(Cl)c3)cs2)C1 587920276 HCBWSSUHAPTGCQ-GOSISDBHSA-N 412.942 5.980 0 1 HKAF CSc1ccc([C@@H]2CC(c3ccc4c(c3)OCCO4)=NN2c2ccccc2)cc1 653899335 BDHRYCUGUPCCDH-QFIPXVFZSA-N 402.519 5.535 0 1 HKAF Brc1ccc2c(c1)OCCC[C@]21NCCc2cccc(-c3ccccc3)c21 962661089 JCYVRCGKSJXAHC-DEOSSOPVSA-N 420.350 5.678 0 1 HKAF CCSc1ccc([C@]2(CCC(=O)O)NCCc3cccc(-c4ccccc4)c32)cc1 962662873 CVLLPSCJEGADCG-SANMLTNESA-N 417.574 5.720 0 1 HKAF Cc1cccc(C)c1CC[C@]1(c2cccc(F)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963109810 MJBQKJCRKHGYAK-LSYYVWMOSA-N 417.543 6.479 0 1 HKAF COc1cccc([C@]2(c3ccc(C)c(C)c3)c3ccc(F)cc3C[C@@H]3CCCN32)n1 963112928 XXPZLESEYCWHFE-NVQXNPDNSA-N 402.513 5.159 0 1 HKAF COc1ccc(Cl)c2c1CCN[C@@H]2c1cc(C(F)(F)F)ccc1Br 963259091 RGUDTCOLSKZOTC-MRXNPFEDSA-N 420.656 5.365 0 1 HKAF Clc1cc(Cl)cc(CN[C@@H]2CCC[C@H](c3nc4ccc(Cl)cc4[nH]3)C2)c1 1772654825 XDIHQCSGYJWVKO-SUMWQHHRSA-N 408.760 6.339 0 1 HKAF FC(F)(F)c1ccc(NCc2ccc(CNc3ccc(C(F)(F)F)cc3)o2)cc1 1857578168 KNNPBTIYSJRGMF-UHFFFAOYSA-N 414.349 6.541 0 1 HKAF COc1cc(OC)c(-c2ccc(O)c3c(OC)cc(C)cc23)c2c1C(C)=N[C@H](C)C2 1857649471 GVGRYGWGGUHNJH-CQSZACIVSA-N 405.494 5.300 0 1 HKAF CC(C)[C@@H]1CC[C@H]2[C@]3(C)CC=C4[C@@H](CC[C@H]5C(C)(C)[C@@H](C)CC[C@]45C)[C@@]3(C)CC[C@]12C 2356329029 PZXKVMLXLHHEGS-NAVYNBCOSA-N 424.757 9.300 0 1 HKAF C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@]23Oc2ccc(OC(=S)N(C)C)cc2C[C@@]13C 2356335833 DRTPUUQCYHYPIT-IEYPBZNOSA-N 401.616 5.848 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@H](OC(=O)C(C)=CC)[C@]2(C)[C@H]1C 2356549808 GEPTVWUAPAVGBV-AAEZVCSUSA-N 414.542 5.625 0 1 HKAF O[C@H]1CN2CCCC=CCC=CCCC3=C[C@H]4CN5CCCCC=CCC[C@@](C2)([C@H]14)[C@@H]35 2356566547 LJHXXWLMNPGGPA-APNLASKRSA-N 422.657 5.103 0 1 HKAF CC=C(C)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CC[C@H](C)CC(=O)O)[C@@](C)(O)CC[C@@H]21 2356668896 FRGMVGYYKMAOOX-ZELJUTDJSA-N 422.606 5.361 0 1 HKAF CN(Cc1cccs1)[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 206041307 FGUMANYUOKHLDO-OUJSJNLKSA-N 422.638 5.363 0 3 HKAF CC(C)=CCc1c2c(c(O)c3c(-c4ccccc4)cc(=O)oc13)C(=O)[C@@H](C)[C@@H](C)O2 13382521 LCHRCBXGRPWRBG-LSDHHAIUSA-N 404.462 5.274 0 1 HKAF biogenic O=C(Nc1ccc(C(=O)N2CCCCc3sccc32)cc1)c1ccccc1Cl 13532170 RCIUOILUJSOGMK-UHFFFAOYSA-N 410.926 5.637 0 1 HKAF COC(=O)N1CCC[C@@H]2C[C@@H](Sc3ccccc3)c3cc(Cl)nc(Cl)c3[C@@H]21 13586633 KWTPYGLAMAYBSJ-CDHAZOANSA-N 423.365 6.145 0 1 HKAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(Oc2ccccc2)cc1 26666322 FPXAVPGQALVBQJ-UHFFFAOYSA-N 424.522 6.269 0 1 HKAF Cc1ccc2c(c1Br)N[C@H]1[C@@H](Cc3cccc4ccccc34)NCC[C@H]21 26674443 UCLCHOONYIGMMV-KCZVDYSFSA-N 407.355 5.393 0 1 HKAF C[C@H]1CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](CN2CCCC2)c2ccccc21 26744567 HHXMAUKRPCOLOF-AOMKIAJQSA-N 417.380 5.319 0 1 HKAF Oc1ccc(CCCCNCCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)cc1 27560768 HCZYOPHVFSBDQV-UHFFFAOYSA-N 402.513 5.835 0 1 HKAF COc1ccc2onc(C3CCN(CCCc4c(C)[nH]c5ccccc45)CC3)c2c1 27878888 SAHPZKZTWUZUHU-UHFFFAOYSA-N 403.526 5.438 0 1 HKAF CCOC(=O)[C@@H]1CCCN(Cc2cc(-c3ccc4ccccc4c3)nc3ccccc23)C1 35818454 OXAGOBXURQQAEX-HSZRJFAPSA-N 424.544 5.830 0 1 HKAF CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@@H]4CC[C@@]3(CC[C@]21C)C(=O)O4 38990861 IMLYZVRFONVJHK-ZKQVNDDQSA-N 412.614 5.946 0 1 HKAF Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)OCC12CC3CC(CC(C3)C1)C2 40404502 DSKNQHOWHPVKPY-UHFFFAOYSA-N 401.959 6.145 0 1 HKAF NC(=O)c1cc(-c2ccccc2)cc2c([C@@H]3CC[C@@H](NCc4ccccc4)C3)c[nH]c12 45230861 QYTTXSNJNBGZLH-IFMALSPDSA-N 409.533 5.360 0 1 HKAF c1ccc2c3c([nH]c2c1)CN(CCCCCN1CCc2c([nH]c4ccccc24)C1)CC3 49089140 CVHWKCBSOHTLIK-UHFFFAOYSA-N 412.581 5.236 0 1 HKAF COc1cccc(CN2CCC(=O)[C@@H](C(c3ccc(F)cc3)c3ccc(F)cc3)C2)c1 72106715 HRNKBAZAWCPGGM-DEOSSOPVSA-N 421.487 5.197 0 1 HKAF CCCN(c1ccc(CCC(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C 95584831 DKSPXEOXZSOFFA-UHFFFAOYSA-N 407.598 6.909 0 1 HKAF Cc1ccc(Sc2c(Sc3ccc(C)cc3)c3ccccc3n(C)c2=O)cc1 95771602 WANGTZJCXBVBBO-UHFFFAOYSA-N 403.572 6.458 0 1 HKAF CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(-c2ncn(C)c2Sc2ccc(Cl)cc2)cc1 96270407 GDYYVTDLGAOGIW-MOPGFXCFSA-N 411.958 5.083 0 1 HKAF COC(=O)CSc1c(-c2ccc(OC)cc2)nc2ccccc2c1-c1ccccc1 96932494 BPSYUKZKWWGYIW-UHFFFAOYSA-N 415.514 5.843 0 1 HKAF O=C(Nc1ccc(C2=CCN(Cc3ccccc3)CC2)cc1)N1Cc2ccccc2C1 165984403 PDRJERCIMDBJHK-UHFFFAOYSA-N 409.533 5.524 0 1 HKAF CN[C@@H]1CCC[C@H](n2cc(-c3ccc4c(c3)CC[C@@H]4N=O)c(-c3ccncc3)n2)C1 169686142 NNFRBCFFCSKCFE-QTEQDKRBSA-N 401.514 5.069 0 1 HKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@]2(C)[C@@H]3CC[C@H](C(C)C)[C@@]3(C)CC[C@@]12C 257462410 KETZXRQFCKBMKO-BHALVEKUSA-N 410.730 9.054 0 1 HKAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3cccc4cnccc34)=CC[C@@H]12 299827086 OPAZXVHDIFDUSN-ARJISARQSA-N 411.545 6.499 0 1 HKAF Cc1cccc(C)c1N1C(=N)S/C(=C\c2ccc(OCc3ccccc3)cc2)C1=O 299868905 SQMHZCZYWSHMQC-JXJWTFEASA-N 414.530 5.938 0 1 HKAF COc1cc2c(Cc3cnc4ccccc4c3)cnc(C3CCCCC3)c2cc1OC 584647426 TVUBOEIWBBSLDG-UHFFFAOYSA-N 412.533 6.439 0 1 HKAF CC1(C)COc2c(-c3nc4c(Br)ccc(Br)c4[nH]3)cccc21 586911261 GGVLCUYMAPLKMP-UHFFFAOYSA-N 422.120 5.425 0 1 HKAF Cc1cc2c(Br)ccc(-c3nc4ccc(F)c(Br)c4[nH]3)c2o1 587004743 ZOWNNXDYHIRUPR-UHFFFAOYSA-N 424.067 5.949 0 1 HKAF NC(=O)c1cccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 587011723 QVTFOQMLDZKPQT-UHFFFAOYSA-N 405.504 5.429 0 1 HKAF CC(C)Oc1ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c1 587015067 DNJHHRQUKAVVNR-UHFFFAOYSA-N 404.322 6.447 0 1 HKAF CC(C)Oc1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587025810 IETXPHKEHVAHBM-YHYVQYDKSA-N 423.582 5.487 0 1 HKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cnc3ccccc3c2[nH]1 587034349 HTBOLNFWANAPQZ-KRWDZBQOSA-N 400.507 5.597 0 1 HKAF O=C(O)c1cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2cc1F 587054971 DUCPBVVWOKJSFF-UHFFFAOYSA-N 421.211 5.546 0 1 HKAF COc1ccccc1-n1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cn1 587096125 DOEHGNPLQIUSPU-UHFFFAOYSA-N 417.468 5.616 0 1 HKAF Cc1ccc2c3c(c4c(nc13)[C@H](C(=O)c1ccccc1)CCC4)-c1ccccc1C2=O 587102280 ZYENCAUYDRMRPL-JOCHJYFZSA-N 403.481 6.057 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1 587195400 GNYAHDKXEOYLEQ-UHFFFAOYSA-N 405.420 5.928 0 1 HKAF Cc1cccnc1[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587335568 HQOCSRDIYHSTRH-BYPCIHSKSA-N 417.480 5.690 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2CCc2ccccc2)[C@H]1c1ccc(F)cc1 587356513 QRKDJPIXAFJYDY-OICBGKIFSA-N 416.492 6.062 0 1 HKAF COc1cccc(-c2cc(-c3cc(Cl)cnc3Cl)nc3c2oc2ccccc23)c1 587358435 BEOYPFNNBZYMIN-UHFFFAOYSA-N 421.283 7.025 0 1 HKAF COc1ccc([C@]2(c3ccccc3Cl)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587377072 GXKHQKHVCKSXON-DEOSSOPVSA-N 407.897 5.457 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cc(C(=O)O)ccc3Cl)cc1)O2 587377610 XEWPFEZKZJREKD-NRFANRHFSA-N 407.853 5.302 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccccc1Sc1ccccc1Cl)[C@@H](C2)C3=O 587453800 UATHKLWJABMMED-QMHKHESXSA-N 408.906 5.989 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)c3cc(C(C)C)ccc(C)c1-3)CC2=O 587480373 JSWUQYZPYBVSNI-VWLOTQADSA-N 402.534 6.896 0 1 HKAF O=C(O)c1cc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)ccc1Cl 587505933 MGVGJRZDQBYEHR-JOCHJYFZSA-N 422.864 5.884 0 1 HKAF CCCc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC 587595669 LTKXUSDBEKWRCA-RDGATRHJSA-N 404.462 5.446 0 1 HKAF CC(C)(C)[C@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599964 JMDIAHRQQQAPQX-BKMJKUGQSA-N 402.490 5.772 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C2CCCCC2)s1 587612183 KUTIKMVFDYIGFK-ZJSXRUAMSA-N 406.503 6.204 0 1 HKAF CCOC(=O)c1c(-c2ccc(Cl)c(Br)c2)[nH]c2c(C(=O)O)cccc12 587636850 LWECPAQKDMEOCW-UHFFFAOYSA-N 422.662 5.126 0 1 HKAF COc1ccc2nc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c(C)cc2c1 587660530 GJZJOSSXBUYVMG-UHFFFAOYSA-N 411.436 5.057 0 1 HKAF CC(C)CC[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587704035 RKVVEICJGBORRB-QKKBWIMNSA-N 424.785 6.456 0 1 HKAF CC(=O)c1cccc(/C=C/[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F 587727717 PCYAGDRWADLZLI-NARNRRIZSA-N 406.270 5.219 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccncc2)(c2ccccc2)N1 587780289 ZVXXCBBIBQEEEG-OYHNWAKOSA-N 411.318 5.004 0 1 HKAF CCOc1ccccc1OCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587781132 PYVBZTAYPOLTST-UHFFFAOYSA-N 401.491 5.817 0 1 HKAF CC(C)c1cccc2c1OCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587833945 JBVPWMLMTVDPRV-YEJXKQKISA-N 404.323 5.272 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCN(Cc3cccs3)CC2)N1 587850770 FRBJQYOBUXWMBD-RBZFPXEDSA-N 423.395 5.137 0 1 HKAF c1ccc(COc2cccc3nc([C@H](Cc4ccccc4)c4ccccc4)[nH]c23)cc1 587955242 IZSQZDMVMUXVPB-XMMPIXPASA-N 404.513 6.517 0 1 HKAF Ic1cccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 587955811 PQJWXIULARXVAE-QGZVFWFLSA-N 424.285 5.542 0 1 HKAF COc1cccc([C@]2(c3cccc(Cl)c3)c3cc(OC)ccc3CCN2C(C)C)c1 962089402 IQPUDEKKXAUQAO-AREMUKBSSA-N 421.968 5.916 0 1 HKAF Oc1ccc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c2ccccc12 962650081 YCHRJJDRLJGOMW-SKCUWOTOSA-N 406.529 5.382 0 1 HKAF CCOC(=O)c1[nH]c(C)c([C@@]2(C)NCCc3cccc(-c4ccccc4)c32)c1CC 962670350 RLOQQGLKXIUQJX-AREMUKBSSA-N 402.538 5.138 0 1 HKAF Cc1ccccc1[C@]1(c2cccc(CN3CCCCC3)c2)NCCc2c(C)ccnc21 963068682 CFEAJOBUAOKENE-NDEPHWFRSA-N 411.593 5.122 0 1 HKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1sc(Sc2ccccc2)nc1Cl 963110154 QOFWWGUAHDDAGF-MAUKXSAKSA-N 416.974 6.197 0 1 HKAF Fc1cccc2c1[C@](c1ccc(Br)cc1)([C@H]1CCCO1)N1CCC[C@H]1C2 963116999 YKLAXALZJINEOB-DWLFOUALSA-N 416.334 5.031 0 1 HKAF Cc1ccc(COc2ccc(Br)cc2[C@@H]2NCCc3ccc(O)cc32)cc1 963352650 NELZIGBCSNSMSY-HSZRJFAPSA-N 424.338 5.277 0 1 HKAF COc1cc(NCc2ccc(Oc3c(N)cccc3Cl)cc2)cc(OC)c1OC 1857545682 MBXWWOQMVCKTJD-UHFFFAOYSA-N 414.889 5.352 0 1 HKAF CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@@H]1C[C@H]1c1cccc(F)c1 1857619882 XOBVCWPXOBDWGK-GMAHTHKFSA-N 421.560 5.333 0 1 HKAF C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@@H]3[C@]1(C)[C@H]2C 2356330487 KRAHTSBHXANSDF-XLENVDBGSA-N 400.647 6.823 0 1 HKAF C[C@@H]1[C@@H](c2ccc(O)cc2)O[C@@H](c2ccc(O)c([C@H](C)Cc3ccc(O)cc3)c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c2ccccc2-c2oc3c4c(cc(O)c3c(=O)c21)OC(C)(C)C=C4 2356751676 DAYVKEVMSODOPS-IBGZPJMESA-N 402.446 5.750 0 1 HKAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C(=O)C=C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 2356779786 DVMUKIWOCNJTAW-ITHVOOFPSA-N 413.646 6.028 0 1 HKAF CC(C)(C)c1ccc(CC(=O)N2CC[C@]2(C)C(=O)Nc2cccc3ccccc23)cc1 61904314 ARNWKKBIQSMEEF-HHHXNRCGSA-N 414.549 5.310 0 3 HKAF COc1ccc(C[C@@H](N)c2csc(NC(=O)Nc3ccccc3C(C)C)n2)cc1 61926448 YOSJZWNIDDAPIF-GOSISDBHSA-N 410.543 5.162 0 3 HKAF COc1cc([C@H](O)c2nc(/C=C/c3ccc(C(F)(F)F)cc3)cs2)ccc1F 61927997 YDRJBPYPOSIMOT-PYJQOMOHSA-N 409.404 5.562 0 3 HKAF FC(F)(F)c1ccccc1Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12 72139855 LIWKUQYMOJZYFY-UHFFFAOYSA-N 421.249 6.918 0 3 HKAF COc1ccccc1Cc1c(-c2ccco2)nc2cc(C)c(Br)c(C)n12 95567035 KKSKXVTWBRAAJF-UHFFFAOYSA-N 411.299 5.573 0 3 HKAF CCCCN(CCCC)C[C@H](O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1 1594826 LYVVAVUBCFFZIU-MHZLTWQESA-N 402.582 6.351 0 1 HKAF O=C(O)CCCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1 13729770 WCOUEWUMTULIBL-UHFFFAOYSA-N 405.450 5.168 0 1 HKAF CCCCOc1ccc(Nc2nc(Cl)nc3c2ncn3Cc2ccccc2)cc1 28765934 FSCRDKFVTWQAHM-UHFFFAOYSA-N 407.905 5.451 0 1 HKAF Nc1nccn2c(C3CCC3)nc(-c3cccc(OCc4cccc(F)c4F)c3)c12 28885420 YZOUDBMWUSPZRH-UHFFFAOYSA-N 406.436 5.103 0 1 HKAF O=C(Nc1nc(-c2cccc(Cl)c2)cs1)c1ccc(Nc2ccncn2)cc1 28952518 FJDWPEBFCWVNBP-UHFFFAOYSA-N 407.886 5.249 0 1 HKAF Cc1cc(OCc2nc(-c3ccc(C(F)(F)F)cc3)cs2)ccc1OCC(=O)O 49033614 XLTUMQNQEDLBKM-UHFFFAOYSA-N 423.412 5.180 0 1 HKAF c1ccc(-c2c[nH]c(Nc3ccc(CCNc4ncnc5ccsc45)cc3)n2)cc1 49034134 HYGFNNIRFIBOQY-UHFFFAOYSA-N 412.522 5.480 0 1 HKAF Cc1cc2[nH]c(=O)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C 53294619 ISYIOKWVTWZKBN-UHFFFAOYSA-N 408.542 5.130 0 1 HKAF CCN(CC)CCNCc1cc2c3ccccc3n(CCCc3ccccc3)c2cn1 53295430 SYEKIYIFCCFKJN-UHFFFAOYSA-N 414.597 5.254 0 1 HKAF COc1ccc(-c2nc3cc(Cl)ccc3c(=O)n2-c2ccc(SC)cc2)cc1 72108493 JRPSZZSTIBPTSO-UHFFFAOYSA-N 408.910 5.437 0 1 HKAF O=C1O[C@@](CCO)(c2ccccc2)CCN1c1cccc(-c2ccc(F)cc2F)c1 72116724 BRCSKQYCZLOWED-DEOSSOPVSA-N 409.432 5.256 0 1 HKAF CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccc(Cl)cc1F)c1ccccc1 72180400 GFDMADAZGAOBRK-OAQYLSRUSA-N 421.903 5.758 0 1 HKAF C[C@@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@@H]2CCN(C(=O)c3ccccc3)C[C@@H]21 73158226 MSNQMTTUFQUCKG-URLQWDBASA-N 412.455 5.625 0 1 HKAF CN(C(=O)c1cnc(NC2CCCCC2)nc1-c1ccc(F)cc1)C1CCCCC1 82139651 AICZZAHKMLXPHJ-UHFFFAOYSA-N 410.537 5.432 0 1 HKAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2ccccc2F)C1 82151200 FVMAFWZWUAGERK-ROUUACIJSA-N 412.553 5.026 0 1 HKAF CCCCNc1ncc(-c2ncc(CC)s2)c(-c2ccc(-c3ccccc3)cc2)n1 82176235 NIUNYINORVBUBT-UHFFFAOYSA-N 414.578 6.709 0 1 HKAF COc1ccc(-c2c(C)cc(OC)c3c(O)cccc23)c2c1[C@@H](C)N(C=O)[C@H](C)C2 84730319 UOWVRRMHDWBPSQ-HZPDHXFCSA-N 405.494 5.002 0 1 HKAF NC(=S)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@H]1c1ccc2ccccc2c1 95582340 PMNCGPKTYMEYRZ-IBGZPJMESA-N 400.334 5.541 0 1 HKAF Fc1ccccc1-c1nc2ccn(Cc3ccc(OCc4ccccc4)cc3)cc-2n1 100068504 ZDRRLDUNXNDNSV-UHFFFAOYSA-N 409.464 5.816 0 1 HKAF CC[C@@H](C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc(C)o1 100703545 COEQXPGBKDYXTQ-SJKOYZFVSA-N 413.543 5.824 0 1 HKAF O[C@]1(c2ccc(Br)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12 101185403 QLWQFJPPXAYVOM-NGRWLJPCSA-N 412.327 5.210 0 1 HKAF Cc1nc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccco2)sc1C 105193231 FUNYGCWESFUBLP-OYYDLILQSA-N 408.571 5.960 0 1 HKAF Cc1cccc(C)c1Nc1ncc(-c2ccc(CN3CCCC3)s2)n2cncc12 138017547 SOOUDSWQISJFJB-UHFFFAOYSA-N 403.555 5.414 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)NC[C@H](O)CO 139612497 LSDWPISKLONKLQ-YAWQMZOFSA-N 403.607 5.158 0 1 HKAF C[C@@H]1O[C@@H](O)[C@H]2C1=CC[C@@H]1[C@]2(C)[C@H](O)C[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C 140248930 QHFVSFLUJAOZGP-MCOSRZOSSA-N 402.619 5.306 0 1 HKAF CCn1nc(C(F)(F)F)cc1-c1ccc(NCc2c(F)cc(F)cc2F)cn1 143094348 SGEFAKQWEPCEQI-UHFFFAOYSA-N 400.326 5.013 0 1 HKAF CCOc1cccc(F)c1[C@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2ncc(C)s2)c1 167556805 RIRYXIASDPQCQR-MGPUTAFESA-N 424.541 5.766 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCCC(=O)N1Cc1cncc(-c2ccccc2)c1 167867250 QMOSTGZMFUOTAK-JOCHJYFZSA-N 416.521 5.410 0 1 HKAF O=C(c1cnccc1Oc1ccc2ncccc2c1)N1CCN(C2CC2)c2ccccc21 169349689 AXZYYCXRZMBVEK-UHFFFAOYSA-N 422.488 5.051 0 1 HKAF COC(=O)c1c(O)c(CC=C(C)C)c2c(c1CCc1ccc(O)cc1)C=CC(C)(C)O2 198479872 XURKRUSOPSKECO-UHFFFAOYSA-N 422.521 5.363 0 1 HKAF C[C@@H](c1cc(F)c2ncccc2c1)n1cnc2ncc(-c3cnc4ccccc4c3)nc21 222082825 LSSAUIMYHLETTF-HNNXBMFYSA-N 420.451 5.338 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c(C(=O)CCc2ccc(O)cc2)c1O 238762573 CQWUAFIQKBZOAW-REZTVBANSA-N 410.510 5.560 0 1 HKAF biogenic,in-vitro CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N[C@H](CO)C(=O)O 299841090 XUVNWEALAJSOLD-SOKGMTSSSA-N 415.574 5.026 0 1 HKAF Nc1ccc(-c2ccc3nc(-c4ccoc4COc4ccc(C=O)cc4)[nH]c3c2)cc1N 586900131 DMYILFWISYEAOD-UHFFFAOYSA-N 424.460 5.046 0 1 HKAF O=C(O)CSc1ncccc1-c1nc2cc(-c3nc4ccccc4s3)ccc2[nH]1 586967614 CISXWIAXELTSCS-UHFFFAOYSA-N 418.503 5.078 0 1 HKAF CCCCCCOc1ccc(Br)cc1-c1nc2cccc(C(=O)O)c2[nH]1 586982114 PZPDJJNCTCZBNB-UHFFFAOYSA-N 417.303 5.650 0 1 HKAF Cc1cc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cc1Cl 586982707 OOCCPUKEEOHNMI-OAHLLOKOSA-N 405.767 6.660 0 1 HKAF Brc1ccc([C@H](c2nc3ccc4c(c3[nH]2)CCCC4)N2CCCC2)cc1 586986341 WKKZLYLTHXXGAI-OAQYLSRUSA-N 410.359 5.389 0 1 HKAF Fc1cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c(F)c1F 586997778 DNLFEWNXWXAVHJ-SOFGYWHQSA-N 419.200 6.173 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc3ncccc3c2[nH]1)c1cccc(Cl)c1 587071039 IYTFMXAFVNEKAI-LJQANCHMSA-N 422.916 5.573 0 1 HKAF CCOC(=O)CCc1c(-c2ccccn2)nc2cccc3c2c1-c1ccccc1C3=O 587107332 QSZKBIAOQAULFI-UHFFFAOYSA-N 408.457 5.004 0 1 HKAF Cc1c(Br)cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1C 587133176 ZNGBBTJZEMXPTL-ARJAWSKDSA-N 417.175 5.808 0 1 HKAF Cc1c(Br)cnc2nc(-c3ccc(F)cc3-c3ccc(C=O)cc3)[nH]c12 587158553 OFCDNDAEMBXZGA-UHFFFAOYSA-N 410.246 5.314 0 1 HKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 587159748 WRTRPAXKVMQPMY-UHFFFAOYSA-N 412.367 5.290 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C1CCCC1 587227492 YEJJBGOAIXGTAP-CQSZACIVSA-N 417.859 5.991 0 1 HKAF CC(C)(C)[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339244 YIXLMZSUPQUDJA-RDGATRHJSA-N 408.444 5.971 0 1 HKAF COc1cccc(-c2cc(CCc3ccc4c(c3)OCO4)nc3c2oc2ccccc23)c1 587365969 PDDLKSGFGLWKPI-UHFFFAOYSA-N 423.468 6.171 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(Cl)cc3)nc3c(C)cccn13)O2 587379402 IHBPGFHORNRRDS-FQEVSTJZSA-N 417.896 5.560 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccc(OC(F)(F)F)cc1)(C(C)(C)C)[C@@H](C2)C3=O 587419522 COCLLGBICBNDEE-HRAATJIYSA-N 406.400 5.283 0 1 HKAF CCO[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439576 BOVUICGWLUCQIF-QGDZQMKYSA-N 400.474 5.116 0 1 HKAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](OC(C)C)c1ccccc1)[C@@H](C2)C3=O 587440051 NSFOCGIZANPYDX-FDJWOJMMSA-N 414.501 5.504 0 1 HKAF O=C1C[C@@H](c2c(Br)ccc3ccccc23)Oc2c1ccc1c2CCCC1 587506388 XUKGIXOMNVFLMX-NRFANRHFSA-N 407.307 6.188 0 1 HKAF O=C1C[C@@H](c2cc3c(C(F)(F)F)ccc(Cl)c3[nH]2)Oc2c1ccc1c2CCCC1 587508607 PQKYRPRJSUMOQT-IBGZPJMESA-N 419.830 6.425 0 1 HKAF CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587510305 GFXSTDLPMAVEPD-SANMLTNESA-N 419.521 5.719 0 1 HKAF Cc1ccc(-c2nc3ccccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587513679 DSJGRNLDNZQVJK-XMMPIXPASA-N 422.528 6.203 0 1 HKAF O=C1C[C@](CSc2nc3ccccc3[nH]2)(C2CC2)Oc2c1ccc1c2CCCC1 587533433 TXNLJJYEQQKQJC-DEOSSOPVSA-N 404.535 5.348 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ccnc(Cl)c2c1 587551513 GEKXJHNCEAXLIZ-DENIHFKCSA-N 403.821 5.297 0 1 HKAF CCC(C)(C)c1ccc(OCc2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 587564354 JKWZEDIWTXVIQZ-UHFFFAOYSA-N 400.522 6.409 0 1 HKAF CCCCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC 587596322 NJUBESDNZNDQDM-RCZVLFRGSA-N 420.461 5.283 0 1 HKAF CC[C@]1(C)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2O1 587616894 NRBLVHSXXSHPKD-GPUOULLFSA-N 402.446 5.201 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)[nH]c3ccc(Cl)cc23)N1 587694964 HUBXRKWFTNQJKW-QPFGOUBPSA-N 409.686 5.052 0 1 HKAF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1C(F)F 587713380 CQYPHOWRUHAFRS-XYZCENFISA-N 400.238 5.158 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2Br)N1 587723953 ZWCKQRXBBURYCX-ZKANADHPSA-N 417.091 5.113 0 1 HKAF CCC[C@@H](CC1(c2nc3cc(C)c(F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781413 JDWIMJYYFVXRKP-FQEVSTJZSA-N 422.544 6.372 0 1 HKAF Cc1ccc(C)c(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587796025 PNBVUPWEJARTQE-ZUOKHONESA-N 414.322 5.219 0 1 HKAF CCCc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC 587801112 IQBLADYWKAEVRF-LRTDBIEQSA-N 406.339 5.563 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3c2ccc2ccccc23)N1 587802556 MXXHDUNIGJUVQU-IPQOISQHSA-N 409.302 5.846 0 1 HKAF Cc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587816529 ZFILTOJJRYNGFK-HJPURHCSSA-N 410.330 5.723 0 1 HKAF C[C@H](c1nc2ccccc2s1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587859702 YKUWEQWDHNACNT-HTGLOVNISA-N 419.363 5.751 0 1 HKAF COc1ccc(C[C@@H](C)c2nc3cc(Br)cc(Cl)c3[nH]2)cc1OC 587925662 FYBVYKJHBUVXGK-SNVBAGLBSA-N 409.711 5.342 0 1 HKAF COc1cccc(Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1 587930545 JLZODLKBMHUYKM-UHFFFAOYSA-N 403.320 5.350 0 1 HKAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(Br)c(O)c3[nH]2)cc1 587932571 GMCLXZXUKSWRFC-GOSISDBHSA-N 409.283 5.220 0 1 HKAF COc1cccc([C@]2(c3cccc(C)c3)c3cc(OC)ccc3CCN2C(C)C)c1 962095560 VCYNACPZUCTWNM-HHHXNRCGSA-N 401.550 5.571 0 1 HKAF Oc1ccc([C@]2(c3ccc(Cl)cc3)c3ccsc3CCN2Cc2ccco2)cc1 962703131 FQSPBHHFOQBQMS-XMMPIXPASA-N 421.949 6.050 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnn(-c3ccc(C(F)(F)F)cc3)c2)N1 962940016 CSUBADAKKNYADG-IIBYNOLFSA-N 410.443 5.386 0 1 HKAF O=C(C[C@]1(c2ccc(Cl)cc2)c2ccc(F)cc2C[C@H]2CCCN21)C(F)(F)F 963096180 CSMPMFLUEKGPGO-XLIONFOSSA-N 411.826 5.265 0 1 HKAF Fc1cccc2c1[C@@](c1ccccc1CN1CCSCC1)(C1CC1)N1CCC[C@H]1C2 963102491 MWJQAOVDQDDQJH-NVQXNPDNSA-N 422.613 5.049 0 1 HKAF CC[C@@H](C)C[C@@]1(CC)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccccc1N 963159063 PKGQFNLAIIOPBI-NSYGIPOTSA-N 410.558 5.026 0 1 HKAF Cc1ccc(CC[C@@]2(C3CCC3)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1C 963218158 CFWVJBQVISPQDE-BDYUSTAISA-N 414.549 5.079 0 1 HKAF COc1ccc(-c2cnc3c(-c4ccc(OC)c(OC)c4)snc3c2)cc1OC 1857603445 LDRGFLXYUGSXFQ-UHFFFAOYSA-N 408.479 5.060 0 1 HKAF CC(=O)OCc1cc(O)c2c(c1)[C@H]([C@H](C)CCC=C(C)C)[C@@H](OC(C)=O)C[C@@H]2C 2356418618 PKMNHSSVMBTKOL-JDASBMTDSA-N 402.531 5.360 0 1 HKAF COc1cc2c3c(c1C)[C@H](C)[C@H](C)O[C@@H]3c1c(OC)c(C)c3c(c1O2)O[C@@H](C)[C@H]3C 2356861322 UHQQHTWESHWNHO-NXKXYXEPSA-N 410.510 5.922 0 1 HKAF CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCc1ccccc1F 4295056 UMYZRXLUHPIJRU-NHCUHLMSSA-N 402.535 5.260 0 1 HKAF COc1c(-c2c(C)cc3cccc(OC)c3c2O)c(O)cc2c1[C@H](C)N(C)[C@H](C)C2 13359341 UKOYLRKCEGOLOJ-CABCVRRESA-N 407.510 5.181 0 1 HKAF biogenic Cc1cc(C)c(NC(=O)C(C)(C)CCCCCc2ccccc2)c2c1CC(C)(C)O2 13747630 HFRZOWCQBAGHHC-UHFFFAOYSA-N 407.598 6.785 0 1 HKAF CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2cccs2)[C@H](c2ccccc2)O1 28373074 RPZVDHABYVUOLQ-FPOVZHCZSA-N 408.523 5.429 0 1 HKAF C[C@]12CC[C@@H]3c4ccc(OC(=O)NCc5ccccc5)cc4CC[C@H]3[C@@H]1CCC2=O 28381816 CGDGPRJNSOGWLR-ONJIFJTESA-N 403.522 5.400 0 1 HKAF FC(F)(F)c1ccc2c(c1)N(CCCNCc1ccccc1)c1ccccc1S2 28821654 LNXVJUDAWHXQIA-UHFFFAOYSA-N 414.496 6.488 0 1 HKAF Clc1ccc([C@@H]2NC(N3CCCCC3)=NC3=C2CCc2ccccc23)c(Cl)c1 45299379 FASXYLQXJOYINO-QFIPXVFZSA-N 412.364 5.837 0 1 HKAF O=C(O)Cc1sc([C@@H](c2ccccc2)c2ccccn2)nc1-c1ccc(Cl)cc1 45355245 FTDOLMWQXVZKCL-NRFANRHFSA-N 420.921 5.666 0 1 HKAF Cc1oc2c3c(ccc2c(=O)c1-c1ccccc1)OC[C@H]1[C@@H]3Nc2ccccc2C1(C)C 49034938 RUMRKTTWISUZPZ-CPJSRVTESA-N 423.512 6.221 0 1 HKAF C[C@H](NCc1coc(-c2ccc(OC(F)(F)F)cc2)n1)c1cccc2ccccc12 72102139 ZVUUDRNIADAWJE-HNNXBMFYSA-N 412.411 6.244 0 1 HKAF Cc1noc(NC(=O)N2CCC3(CC2)CC(c2cccc(C(F)(F)F)c2)C3)c1C 73156990 XIZRGRQXLXPQOD-UHFFFAOYSA-N 407.436 5.502 0 1 HKAF Cc1cc(O)c(C(C)C)cc1CCC(=O)C[C@@H](O)CCCCCCc1ccccc1 82155082 IMKOOPCSBVGNSE-DEOSSOPVSA-N 410.598 6.270 0 1 HKAF CCCCCc1nc(-c2cnc(N3CCC(O)CC3)nc2-c2cccc(C)c2)oc1C 82173454 DTVNEQBJHDSLKN-UHFFFAOYSA-N 420.557 5.109 0 1 HKAF Cc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccccc3Cl)cc2)cc1 100101857 RPJYCMMTUBKVMB-UBRQYEGLSA-N 417.940 5.287 0 1 HKAF CS(=O)(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3)[nH]c2-c2ccccc2)cc1 103171372 YFKXWONBIRMKRC-UHFFFAOYSA-N 408.910 5.468 0 1 HKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1nnc(-c2ccco2)o1 118921560 BGWYDFFTCKEEAD-YYDZWEDWSA-N 408.542 5.737 0 1 HKAF CCCC[C@H]1c2c([nH]c3ccccc23)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(C)[C@@H](C4)[C@@H]13 169369146 YLFVOHQBMMEFKC-PRIXUDNGSA-N 414.549 5.409 0 1 HKAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@H]1c1ccc(-c2ccccc2F)cc1 169728373 OWFXWHQLNGDRFV-BJKOFHAPSA-N 419.496 5.483 0 1 HKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2/C(=C\C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C 199535689 PKFBWEUIKKCWEW-VWYYVUTKSA-N 404.635 5.539 0 1 HKAF in-vitro O=C(O)C[C@H](NC(=O)c1nc(Cl)ccc1Cl)c1ccc(-c2ccccc2)cc1 223560760 WLLJCBZYQRAHPH-KRWDZBQOSA-N 415.276 5.001 0 1 HKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(C)cc(Br)cc2[nH]1 587066646 PRRXMRGXVQYIMD-UHFFFAOYSA-N 400.707 6.053 0 1 HKAF Fc1ccc(/C=C(/c2nc3c(Br)ccnc3[nH]2)c2cccs2)cc1 587163328 HUBQWPNBNBOVIY-JLHYYAGUSA-N 400.276 5.510 0 1 HKAF Cc1c(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc(-c2ccc(F)cc2)n1C 587165578 DJHRJDZCDXONPD-UHFFFAOYSA-N 418.697 6.099 0 1 HKAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587195375 IZKIRROKCDJJBY-JTQLQIEISA-N 412.253 5.562 0 1 HKAF Cc1ccc(NC2(c3nc4ccc(I)cc4[nH]3)CCCC2)cc1 587237208 MQNJMRHLRLRPOB-UHFFFAOYSA-N 417.294 5.357 0 1 HKAF C=CC(=O)Nc1ccc(-c2nc3cc(Br)c(OCC(C)C)cc3[nH]2)cc1 587243295 AXJHTDMSMAZNAJ-UHFFFAOYSA-N 414.303 5.152 0 1 HKAF O=C(Nc1ccccc1)c1ccc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)cc1 587243942 KLSSCIRFNWOZLP-UHFFFAOYSA-N 405.457 6.275 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCOc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 587326176 AIACGYLPNNGQRS-GGAORHGYSA-N 410.828 5.222 0 1 HKAF CC(C)Oc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587345405 FHZUNYVWURKWPJ-ILBGXUMGSA-N 406.453 5.593 0 1 HKAF C[C@]1(c2ccc(-c3ccccc3)o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352026 JUSLNZCCVWTQAC-AZGAKELHSA-N 414.432 6.066 0 1 HKAF COc1ccccc1[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355566 YLPCPHFAZAZZHF-JYFHCDHNSA-N 420.480 5.840 0 1 HKAF COc1cccc(-c2c(Cc3cccc(F)c3OC)cnc3c2oc2ccccc23)c1 587359736 IUVFGXNPQNEWLC-UHFFFAOYSA-N 413.448 6.395 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(F)ccc2OCC3)c1 587360236 MPXYDZNZYKENJX-UHFFFAOYSA-N 411.432 6.398 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC[C@H]3c2ncccc2O)c1 587363401 MSSPMSRGJWBTDH-LJQANCHMSA-N 422.484 6.225 0 1 HKAF CSc1cccc([C@@]2(c3cc(F)ccc3F)CC(=O)c3cc(C)cc(N)c3O2)c1 587382727 UKWJGMJKSXKNCU-HSZRJFAPSA-N 411.473 5.486 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ncc(C(F)(F)F)cc1Cl)O2 587382809 ORBJTJHUWFXGRH-KRWDZBQOSA-N 421.806 5.142 0 1 HKAF COc1cc2c3c(c1)OC(c1cccc(Cl)c1)(c1cccc(Cl)c1)[C@@H](C2)C3=O 587419319 KYECRAXRJDSNLA-IBGZPJMESA-N 411.284 5.693 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(Cl)c(Cl)c4)o1)[C@@H](C2)C3=O 587422177 XGGPBYBKLJGZKQ-ZSEKCTLFSA-N 401.245 5.751 0 1 HKAF COc1cc2c3c(c1)O[C@@]1(C[C@@H](c4ccc(F)cc4)Nc4ccccc41)[C@@H](C2)C3=O 587429510 VPFSKXNWPFQAOT-QYXIYQDXSA-N 401.437 5.034 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](CC)(CCc1ccc(Br)cc1)CC2=O 587459869 ZHIOAODPERRYPM-QFIPXVFZSA-N 417.343 5.854 0 1 HKAF Cc1nn(C)c(Oc2cccc(Cl)c2)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501497 OKGCEIBMWDUUQN-OAQYLSRUSA-N 422.912 5.760 0 1 HKAF O=C1C[C@@H](c2c(Cl)nc(Cl)n2-c2ccccc2)Oc2c1ccc1c2CCCC1 587502255 UNVWHBDVCZPLDI-SFHVURJKSA-N 413.304 5.764 0 1 HKAF CCOc1cc(OCC)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OCC)c1 587523561 KCAHCFOKUOHNMQ-QHCPKHFHSA-N 410.510 5.468 0 1 HKAF COc1ccc(-c2nc(C)c([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1 587533905 YMEQPYRAJATLHQ-VWLOTQADSA-N 419.546 5.887 0 1 HKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc2c1OC(C)(C)C2 587616198 JBUMTCYYIPIWQX-RDPSFJRHSA-N 402.446 5.117 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(F)ccc2F)(C(F)(F)F)N1 587701303 CHOKBHMZYHZWNK-PWJLMRLQSA-N 424.182 5.207 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2)(C(F)(F)F)N1 587709062 HQZAEPWDXOQMTL-ABKXIKBNSA-N 406.192 5.067 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(F)(F)F)(c2ccccc2)N1 587709287 KDXAQRRRRKTAJP-PIGZYNQJSA-N 402.229 5.318 0 1 HKAF Cc1cc(OC(F)F)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587716611 JQEPIMDPWQQSJE-ZMZPIMSZSA-N 414.265 5.430 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2F)N1 587726270 HSUGHJHSTGYBDO-PEBXRYMYSA-N 414.293 5.553 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(F)cc2Cl)N1 587726797 KVHWQLAMPNCRIJ-MLCYQJTMSA-N 400.694 5.373 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2OCC2CC2)N1 587727091 AHFTXRWOTQUQGU-YBTHPKLGSA-N 408.286 5.140 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccncc3)cc2)N1 587776869 DZESGZJXOWUMKD-JLCFBVMHSA-N 411.318 5.448 0 1 HKAF COc1ccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(OC)c1C 587787717 OFGHSELRHFRCNF-UHFFFAOYSA-N 415.209 5.337 0 1 HKAF CCC[C@]1(c2ccc(Cl)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 587847171 JNEYYSHCCWIOMQ-QGHHPUGFSA-N 402.760 5.881 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccsc2)N1 587851532 CGBWHMBZOZXNKH-YUNKPMOVSA-N 402.332 5.940 0 1 HKAF Cc1csc2sc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C)c12 587857922 NLQVPSCOACMNJP-ABKXIKBNSA-N 410.377 6.105 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc2c(c1)CCC2 587858103 CTSSPCHLQYKLIG-UHFFFAOYSA-N 401.293 5.433 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1/C(=C/c1ccccc1)c1ccccn1 587862825 XQFXHVHTCHEFBE-PXLXIMEGSA-N 421.422 6.019 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2c(s1)-c1ccccc1OC2 587872083 GPVXKMMPVJPLLK-UHFFFAOYSA-N 420.465 5.397 0 1 HKAF Cc1ccc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2c1C 587948802 IWTPRDCRGKHQHS-BVZALQNUSA-N 404.554 6.464 0 1 HKAF c1ccc(Oc2ccccc2Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 587949189 AIPQTFDBIUKJMS-UHFFFAOYSA-N 408.526 7.097 0 1 HKAF FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C/c3ccccc3Oc3ccccc3)nc1-2 587949429 GJTNFHWFKCKLQT-ZHACJKMWSA-N 416.790 5.939 0 1 HKAF CC[C@]1(Cc2nc3cc(Br)cc(Cl)c3[nH]2)CC(=O)c2ccccc2C1 587962744 ZWHHAKSMSPAYJJ-HXUWFJFHSA-N 417.734 5.747 0 1 HKAF COc1ccc2c(c1OC)[C@@](c1ccccc1)(c1ccc(C)cc1C)N(C)[C@@H](C)C2 962622320 BRBMCNSWVFRFOL-CCLHPLFOSA-N 401.550 5.489 0 1 HKAF CC(C)[C@@]1(c2cc(F)ccc2F)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962629355 JSTKADXHGJZSJD-HOFKKMOUSA-N 418.531 5.611 0 1 HKAF COc1nn(-c2ccc(C)cc2)c2cc(-c3ccc([C@H]4C[C@@H]4C(=O)O)cc3)cc(F)c12 1772651237 VAIBBLPRASEICM-UXHICEINSA-N 416.452 5.337 0 1 HKAF Cc1noc(C)c1-c1cc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)ccc1Cl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c1ccccc1)[C@H](CC(C)C)NC(=O)OCc1ccccc1 200551118 XAXSUNCAIYFETB-SONOPUAISA-N 418.430 5.442 0 3 HKAF CC(C)=CCC[C@]1(C)C=Cc2cc([C@H]3CC(=O)c4c(O)cc(O)cc4O3)c(O)cc2O1 5158749 FZAZNGMSARSUNC-RCZVLFRGSA-N 422.477 5.421 0 1 HKAF endogenous,in-man C[C@@](O)(c1ccc(F)cc1)[C@H]1CCCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C 13560787 IPYQHDGIOUODBE-KKUQBAQOSA-N 420.503 5.804 0 1 HKAF COc1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl 13778254 QVSCXTOHXMFKRW-UHFFFAOYSA-N 416.102 5.300 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc2cc3c(c(O)c2c1O)C(=O)C[C@](C)(O)C3 14883309 GUJKRVVBNWGDJR-AJQOZTQRSA-N 410.510 5.072 0 1 HKAF O=C(NCc1ccccc1)c1ccc(N2Cc3ccccc3Oc3ncccc32)s1 20985563 MYMOTKJDSXTCKW-UHFFFAOYSA-N 413.502 5.517 0 1 HKAF Fc1ccc(-c2[nH]c(-c3cc(Br)cs3)nc2-c2ccncc2)cc1 26572921 LCOSXCCYCLEMRH-UHFFFAOYSA-N 400.276 5.769 0 1 HKAF COc1ccc(CCC(C)(C)N)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1 27190635 AVVRVFCECVGPCV-UHFFFAOYSA-N 424.491 5.618 0 1 HKAF CCOC(=O)[C@H](Oc1ccc(Cl)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 39242760 XRVPSWACTJWXCY-OAQYLSRUSA-N 417.288 6.469 0 1 HKAF CN(CCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccc(Cl)cc1 40943493 JLFYFIFBNZIHBD-UHFFFAOYSA-N 406.932 6.488 0 1 HKAF COc1cccc(C(=O)[C@H]2C[C@@H]2CN2CC=C(c3c(C)[nH]c4ccccc34)CC2)c1 45211407 YLFWQQFYVZMRSU-OFNKIYASSA-N 400.522 5.093 0 1 HKAF Cc1ccc([C@H](CCN(C)C)NC(=O)c2ccc(-c3ccc4ccccc4c3)cc2)cc1 45290353 ZSDZDUHGVOROJR-NDEPHWFRSA-N 422.572 6.238 0 1 HKAF CC(C)[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1 49036706 IICXUBMRVLNRHY-CLJLJLNGSA-N 405.582 5.525 0 1 HKAF CCC[C@]1(c2cccc(OC)c2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F 58591302 VRUQXMBWFAQQFY-IBGZPJMESA-N 412.839 5.802 0 1 HKAF Oc1c(Br)cc(CCc2c(Cl)cccc2Cl)cc1Br 58649598 ZTXSVCNYFKOGBX-UHFFFAOYSA-N 424.947 6.009 0 1 HKAF in-vitro CC(C)=CCc1c(O)c2c(c3cc(C(C)(C)O)oc13)O[C@@H](c1ccc(O)cc1)CC2=O 59776570 VEBKLRPESKIERY-LJQANCHMSA-N 422.477 5.287 0 1 HKAF biogenic CN(Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)[C@@H]1CCN(Cc2ccccc2)C1 72184219 FYQUPTCOJUMXDN-OAQYLSRUSA-N 415.459 5.067 0 1 HKAF CC[C@H](C)Cn1c(-c2cccc(O)c2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82187878 VJJBQAFGMGLKTI-ZWKOTPCHSA-N 415.541 5.461 0 1 HKAF O=C(c1ccc(Oc2ccccc2)cc1)c1cc(Cc2ccc(F)cc2)c(O)cc1O 84604928 CKSYOBVTVZZWKM-UHFFFAOYSA-N 414.432 5.851 0 1 HKAF CC[C@](C)(c1ccccc1)[C@@H](c1ccc(O)cc1)c1ccc(OCCCC(=O)O)cc1 95607359 PNLOFZIZLIBECN-RRPNLBNLSA-N 418.533 6.136 0 1 HKAF C[C@H](O)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C 95913929 OZLVIJDGMACLBA-IONYWVSWSA-N 414.718 7.859 0 1 HKAF c1ccc(CC2C[C@H]3CC[C@H](C2)N3CCOC(c2ccccc2)c2ccccc2)cc1 100919127 HPGMQJYYCFTPJC-VSGBNLITSA-N 411.589 6.278 0 1 HKAF O=C(CCCN1[C@@H]2CC[C@@H]1CN(c1ccc(Cl)cc1)CC2)c1ccc(F)cc1 101203397 YWOYXYWGFUHWBM-FGZHOGPDSA-N 400.925 5.185 0 1 HKAF Cc1nn(-c2ccc3c(c2)Nc2ccccc2S3)c2c1[C@@H](c1ccccc1)NC(N)=N2 103238781 UCTBIIMOAMVJKS-JOCHJYFZSA-N 424.533 5.028 0 1 HKAF CCOC(=O)c1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1 113655711 JLCNPKCWGOTCNE-UHFFFAOYSA-N 411.505 5.183 0 1 HKAF CC(/C=C/C=C(C)/C=C/[C@]1(O)C(C)(C)CCC[C@@]1(C)O)=C\C=C\C=C(/C)C(=O)O 149016316 YBWOXWSKTIHNHZ-DCZJWVCLSA-N 400.559 5.271 0 1 HKAF COc1ccccc1Cc1cccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1 216051634 JARCEOLRGSRVKY-UHFFFAOYSA-N 418.924 5.393 0 1 HKAF CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255197058 ATSOHKZZFSOWDR-UZJWTXADSA-N 416.734 7.961 0 1 HKAF C/C(=C\[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)CC(C)C 255221945 JVYPHKPYYNCGNZ-SSOWPHBFSA-N 414.718 7.881 0 1 HKAF CC(C)=CCC/C(C)=C/CC[C@@](C)(O)[C@H]1Cc2c(O)c(C=O)c(C)c(Cl)c2O1 299819168 AKZMNMUPGWZYPW-QEXASKOXSA-N 406.950 5.694 0 1 HKAF CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccncc1)c1ccc(-c2ccccc2)cc1 299868140 QZCJQPJDEMNGCY-HEEDUKKLSA-N 413.565 5.259 0 1 HKAF Fc1ccc(-c2nc(F)ccc2-c2ccc(OCc3ccc4ccccc4n3)cc2)cc1 473154727 KWKUFNOFOOYHMK-UHFFFAOYSA-N 424.450 6.821 0 1 HKAF CCCCOc1cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1Br 586885620 NBDKIBGPZWCLIM-KSFYIVLOSA-N 411.343 5.876 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c21 587030697 JRKLQZMOOOICHX-JTQLQIEISA-N 403.433 5.282 0 1 HKAF FC(F)(F)c1ccc(Oc2ccc(-c3nc4c(Cl)ncc(Cl)c4[nH]3)cc2)cc1 587113888 NPWAFRZCQPZATD-UHFFFAOYSA-N 424.209 6.743 0 1 HKAF CN1CCN(c2ccc3nc(/C=C\c4ccc(SC(F)(F)F)cc4)[nH]c3c2)CC1 587126221 WFGBRWUAWVLVSI-WTKPLQERSA-N 418.488 5.097 0 1 HKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 587160892 HXFFRMWQIPXNDT-RYUDHWBXSA-N 415.184 5.634 0 1 HKAF Fc1ccc(/C=C(/c2nc3ccc(F)c(Br)c3[nH]2)c2cccs2)cc1 587163830 LQYUOQJMAMQHJG-JLHYYAGUSA-N 417.278 6.254 0 1 HKAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cccc(OC(F)(F)F)c2[nH]1 587201812 WADOHPMYITZWLM-UHFFFAOYSA-N 401.429 5.042 0 1 HKAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 587233878 WFKTWEKOPLGSAX-JQWIXIFHSA-N 414.731 5.140 0 1 HKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 587241353 BGYVGOBJRWJLEF-UHFFFAOYSA-N 409.839 6.277 0 1 HKAF O=C(c1sc2cccc(OC(F)F)c2c1Cl)c1coc2ccc(Cl)cc12 587278761 SQLOMPRBDTYTKW-UHFFFAOYSA-N 413.228 6.787 0 1 HKAF C[C@]1(c2ccccc2CCCCF)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333930 OEIOUVROTCUALW-AOYPEHQESA-N 422.471 6.098 0 1 HKAF C[C@]1(c2ccc(O)c3ncccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344862 HMLTYYDBAOLCQO-WIOPSUGQSA-N 415.420 5.059 0 1 HKAF Cc1cc(C)c2c(c1)[C@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359902 STQGZOKZLLBAPA-BVAGGSTKSA-N 418.464 5.575 0 1 HKAF COc1cccc(-c2cc(-c3ccc(C(F)(F)F)nc3)nc3c2oc2ccccc23)c1 587361370 ZVYYLCXOHCORAZ-UHFFFAOYSA-N 420.390 6.737 0 1 HKAF CCC(=O)[C@H](C(=O)OC)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C 587361867 CYAIYSOTTMJWRL-NRFANRHFSA-N 417.461 5.201 0 1 HKAF CCOC(=O)[C@@H]1CC[C@H](C)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587363771 USGATXQWNLALHV-HNAYVOBHSA-N 415.489 6.201 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CCc3c(F)ccc(Br)c31)CC2=O 587469599 AWULCNKJDOCOHO-HXUWFJFHSA-N 405.263 5.053 0 1 HKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(OC)cc1OC)CC2=O 587476180 FCVHXUAONWZRBH-AREMUKBSSA-N 418.489 5.271 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCCc3ccccc3)c1)CC2=O 587486265 ZCHMEDRKPRICLL-RUZDIDTESA-N 402.490 5.673 0 1 HKAF CCCC/C=C\CCCCCCCCC[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587489182 NHNJJLXFIWOYMT-KOIKXXGWSA-N 414.630 7.936 0 1 HKAF O=C1C[C@@H](c2cccnc2Oc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587501515 OQIZQWRXBUVSBC-QFIPXVFZSA-N 405.881 6.113 0 1 HKAF CC[C@]1(c2ccc(Br)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587503267 GBVDVUGFVDWQHJ-OAQYLSRUSA-N 403.291 5.738 0 1 HKAF C[C@@]1(c2cc(Br)c(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587507811 TWSDRUAAMQJMOZ-FQEVSTJZSA-N 407.254 5.487 0 1 HKAF O=C1C[C@H](c2cn(-c3ccccc3)nc2-c2ccncc2)Oc2c1ccc1c2CCCC1 587513553 CIHDAPHWJPNLHI-RUZDIDTESA-N 421.500 5.520 0 1 HKAF CCO[C@@H](c1ccccc1)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587522195 GDJCVZOTWNKISU-NSOVKSMOSA-N 412.529 6.204 0 1 HKAF CC[C@H](C)n1nc(C)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542819 AHWCTQCDFZRHLZ-DGIMUSOZSA-N 412.873 5.224 0 1 HKAF COc1cccc([C@@H]2CCCC[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)c1 587601055 QEXNGTLEESUIDI-CHZKFRDHSA-N 416.473 5.459 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12c1ccccc1CCc1ccccc12 587604642 UXRNMXHWPIFPDD-RUZDIDTESA-N 420.464 5.396 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(O)cc1 587605511 AGUZMHXSGMMCHA-JYFHCDHNSA-N 410.425 5.003 0 1 HKAF Cc1cc(Cl)cc2c(-c3ccccc3Br)c(-c3ccc(F)cc3)[nH]c12 587624115 DDDJGSAWMXRPIT-UHFFFAOYSA-N 414.705 7.365 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(SC(F)(F)F)c2)N1 587723436 WZNLPVPFTCRPIX-JDNHERCYSA-N 420.269 5.824 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCN(Cc3ccccc3)C2)N1 587766529 NVHPSDYORQWRHT-OPAMFIHVSA-N 417.366 5.004 0 1 HKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccnc2ccccc12 587864190 GNBWPPWGFYEJMZ-UHFFFAOYSA-N 411.383 5.204 0 1 HKAF Fc1ccc2c(c1)-c1cc(n(C(=S)NC(c3ccccc3)c3ccccc3)n1)O2 587876843 UIZXFCNUHXIELZ-UHFFFAOYSA-N 401.466 5.307 0 1 HKAF Cc1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(C)c(C)c3)cs2)cc1 587921478 ZXNPVDQZIDKGRK-JOCHJYFZSA-N 423.585 6.986 0 1 HKAF Cc1cc2c(n1C[C@@H](c1cccc(Br)c1)N(C)C)CC(C)(C)CC2=O 587938793 AKYKKCXZOZCVNU-IBGZPJMESA-N 403.364 5.017 0 1 HKAF COc1ccc(-c2nnc(-c3ccc4nc(CC5CCCCCC5)[nH]c4c3)o2)cc1 587960951 NYJKXQJBYIQKTB-UHFFFAOYSA-N 402.498 5.801 0 1 HKAF C[S@@](=O)c1ccc([C@@H](OC2CCCCC2)c2cc3cccnc3[nH]2)cc1Cl 653807544 MGLPUJRDRZAPKW-NFQMXDRXSA-N 402.947 5.392 0 1 HKAF CCOC(=O)CCC[C@@]1(c2ccc(F)cc2)c2cc(OC)ccc2CCN1C(C)C 962092334 QKLBBKBSAISVPL-RUZDIDTESA-N 413.533 5.078 0 1 HKAF Cc1ccc([C@]2(c3ccc(Cl)cc3)c3ccsc3CCN2Cc2ccco2)nc1 962700460 BLGCSGHQYLPWTE-DEOSSOPVSA-N 420.965 6.048 0 1 HKAF Cc1cccc([C@]2(c3ccccc3C)c3cccc(F)c3CCN2[C@H]2CCSC2)n1 962716916 UFUADERZNNRIJB-FNZWTVRRSA-N 418.581 5.493 0 1 HKAF C[C@H](CCc1ccccc1)[C@H]1N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963171790 BYOOMKIASSNCDI-SMNXXWJPSA-N 411.851 5.268 0 1 HKAF Cc1ccc(C)c2c1CCC[C@]21N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963176592 IVPBVISOOSKYJM-IERDGZPVSA-N 423.862 5.154 0 1 HKAF CN1CCc2c(Br)cccc2[C@H]1[C@@H](c1ccccc1)c1ccc(F)cc1 963289638 PRMDQJKYMLFXAM-GOTSBHOMSA-N 410.330 5.949 0 1 HKAF Cc1cc(-c2nc(-c3ccc(F)c(OCC4CCC4)c3)n3c2CCO[C@H](C)C3)ccn1 1772579657 UOTRSHLLNCIVCX-QGZVFWFLSA-N 421.516 5.200 0 1 HKAF COc1ccc(-c2ccccc2C(F)(F)F)cc1[C@@H](CC(=O)O)c1ncc(C)s1 1772617592 ISHYMZRLXRCNKT-MRXNPFEDSA-N 421.440 5.753 0 1 HKAF COc1ccc2c(c1)c([C@H]1CC(c3ccncc3)=NO1)cn2Cc1ccc(Cl)cc1 1857652245 YPGNBBBRAKXIRN-XMMPIXPASA-N 417.896 5.612 0 1 HKAF COc1ccccc1COc1cccn2c(N(C)C(=O)CCC3CCCC3)c(C)nc12 61898747 WGNBJCVDNVTJRD-UHFFFAOYSA-N 421.541 5.164 0 3 HKAF CCCC[C@@H](c1nc2ccccc2[nH]1)n1c(-c2ccccc2)nc2cc(C)c(C)cc21 72138534 MSRBLCLQALMHOL-DEOSSOPVSA-N 408.549 6.976 0 3 HKAF Cc1cc2nc(-c3ccc(F)cc3)c(Cc3ccsc3)n2c(C)c1Br 95569685 AMHYONGIWAEMAR-UHFFFAOYSA-N 415.331 6.172 0 3 HKAF CC(=O)c1c(C)c(C)c(O)c([C@H](CCCCCC(=O)O)c2ccc(F)cc2)c1C 1551131 UCQJXQXTSXMEDP-HXUWFJFHSA-N 400.490 5.826 0 1 HKAF CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCN(CC)CC 4213516 NTWQZQQTOMERJT-JWQCQUIFSA-N 423.601 5.312 0 1 HKAF C[C@H](N)C(=O)Nc1nc(-c2ccc(Cc3ccccc3)cc2)c(-c2ccccc2)s1 14951971 NOAPVKQSSCRBKE-KRWDZBQOSA-N 413.546 5.354 0 1 HKAF C[C@]12CC[C@]3(C1)[C@H](CC2=O)C[C@@H](OC(=O)c1ccccc1)[C@H]1[C@]3(C)CCC[C@@]1(C)CO 25992493 CFPMRJFTBKYCRR-STPGZVRESA-N 424.581 5.186 0 1 HKAF Cc1cc(C)cc(-c2c(O[C@H]3CCCN(C)CC3)c3ccc(Cl)cc3[nH]c2=O)c1 26579194 ACAQZLNOFLLWTO-IBGZPJMESA-N 410.945 5.328 0 1 HKAF CC[C@H]1C[C@@H]2NC(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@@H]3[C@H]12 27302321 MASOXJRADXYGSF-DFSJZRDISA-N 415.706 7.222 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CCN[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3 27990528 FXYWZSZQPOXFIV-VWDAFFOSSA-N 415.706 6.875 0 1 HKAF O=C(c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1)N1CCCC1 28563757 GZFMMFGWWBYZDS-UHFFFAOYSA-N 400.507 5.338 0 1 HKAF CCC(CC)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccccc1 34479076 WZPMLPHKGKPPSV-IBGZPJMESA-N 423.991 5.043 0 1 HKAF N=C(N)c1ccc2cc([C@H]3C[C@H]3c3ccc4c(c3)C(c3ccccc3)=NCC4)ccc2c1 34717866 ALVYBVAQSFMTGH-FTJBHMTQSA-N 415.540 5.788 0 1 HKAF Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(Cl)c(Cl)c3)nnc2c1 38209787 PKACVUDGDZAACR-UHFFFAOYSA-N 409.320 6.667 0 1 HKAF Cc1ccc(O)cc1CC[C@@H]1C(=O)CC[C@@]2(C)[C@H]1C[C@H](O)[C@@H]2[C@H](C)CCCC(C)C 38791692 USFQLAVWHQCNDG-AYEIPMSGSA-N 414.630 6.078 0 1 HKAF COc1cccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc23)c1 40392983 IHZBXUXGCFBQDV-UHFFFAOYSA-N 419.872 5.679 0 1 HKAF CC1(C)CC=C(c2ccccc2)c2ccc(C3=NO[C@@H](c4ccc(C(=O)O)cc4)C3)cc21 71295120 QUXYKMHUQXHJMP-AREMUKBSSA-N 423.512 6.364 0 1 HKAF CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc(C)c2)n1 82173714 RLWXZPXSBRAKDL-QGZVFWFLSA-N 400.551 6.453 0 1 HKAF CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccccc2F)cs1 82193556 IIQXCSVMQSCXRI-JXFKEZNVSA-N 403.567 5.251 0 1 HKAF O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(Oc2cccc(-c3ccccc3)c2)CC1 103269874 PMKHFAXZSOGNAS-FTJBHMTQSA-N 412.533 5.463 0 1 HKAF COc1ccc(CNCc2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)cc1OC 103277676 DNFAPRJLWYGIBV-UHFFFAOYSA-N 405.538 6.083 0 1 HKAF COc1ccc(Br)cc1[C@@H]1C2=C(O)CCCC2=Nc2nc3ccccc3n21 103539423 QPPABQXOTDCQST-HXUWFJFHSA-N 424.298 5.479 0 1 HKAF C[C@H](NCCc1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118932509 LFPKSAIPLRXRML-FDTCTUJQSA-N 421.669 6.147 0 1 HKAF Cn1nc(-c2nccs2)cc1-c1ccc(C(=O)Nc2ccccc2Cl)s1 142594360 VAKSYKJWXKUVKB-UHFFFAOYSA-N 400.916 5.178 0 1 HKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCCCc1ccccc1 169364467 JMJLBTSEMKHKAU-MLFLMRJSSA-N 421.669 7.881 0 1 HKAF Cc1cccc2c1[C@@H]1[C@@H](CC2)[C@@H]2C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]3[C@@]2(C)C[C@H]1O 238762439 PFUVYHARQPNXCK-FNIGAWEVSA-N 410.598 5.226 0 1 HKAF c1cc2c[n+](c1)CCCCCCCCCCc1ccc[n+](c1)CCCCCCCC2 238789722 ZQZGNFLVTCJGIF-UHFFFAOYSA-N 408.674 6.522 0 1 HKAF COc1cc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 473150938 NPYOAANRTJNYEB-UHFFFAOYSA-N 410.441 5.161 0 1 HKAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3c(C)cccc3-c3ccccc3)[nH]c2c1 586878394 GSOHFNDSQGZIHK-UHFFFAOYSA-N 419.550 5.236 0 1 HKAF Cc1c(Br)ccc2nc(-c3ccnc(Cl)c3Br)[nH]c12 586978885 BDARIMIXUVQKRF-UHFFFAOYSA-N 401.489 5.112 0 1 HKAF Cc1csc(SCc2ccc(-c3nc4cc(F)c(-n5cccn5)cc4[nH]3)cc2)n1 587021874 QWLVJHLWNZTWAQ-UHFFFAOYSA-N 421.526 5.612 0 1 HKAF COc1cc(OC)c2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2c1 587054784 BOKWZMARRHVXHO-UHFFFAOYSA-N 419.264 5.726 0 1 HKAF Clc1cc(Cl)cc(-c2cncc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c2)c1 587067696 LNRDERUEISVBCV-UHFFFAOYSA-N 410.091 6.301 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(Cl)nc2[nH]1)c1cccc(Cl)c1 587069646 DUHJFLWWZOUDSE-CQSZACIVSA-N 407.301 5.073 0 1 HKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587075178 FBUGVFHCGLJNAU-UHFFFAOYSA-N 416.937 6.529 0 1 HKAF Fc1cc(Br)c2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc2c1 587112370 MACFPHQZEVYGKP-UHFFFAOYSA-N 410.168 5.699 0 1 HKAF CCCOc1cc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2cc1Br 587139928 TWBKOSRPDCTSJA-UHFFFAOYSA-N 413.237 5.317 0 1 HKAF COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Br 587499805 PGLCJLDGWDWFOY-NRFANRHFSA-N 401.300 5.217 0 1 HKAF Nc1sc2c(c1[C@@]1(c3ccccn3)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 587534163 BEHVVTGOZATUJI-VWLOTQADSA-N 416.546 5.002 0 1 HKAF CC(C)(C)c1ccc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587545799 PNDYONOGTGTRGW-REWPJTCUSA-N 408.881 6.046 0 1 HKAF CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc12 587571841 MSGXAXYWGLDJJF-BVAGGSTKSA-N 411.457 5.314 0 1 HKAF CC(C)(C)c1[nH]c2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588742 LJZRAIUFJXBLDA-XUZZJYLKSA-N 413.473 5.874 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(Cl)cccc2s1 587618347 NYLRROWETORQHE-DENIHFKCSA-N 408.862 5.963 0 1 HKAF Fc1cc2c(-c3ccc(N4CCOCC4)cc3)c(-c3ccccc3)[nH]c2cc1Cl 587631696 INXPOWNOJRYQRY-UHFFFAOYSA-N 406.888 6.131 0 1 HKAF CC(C)(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1Cc1ccc(Br)cc1 587650182 YULSAIJMRXHCMQ-UHFFFAOYSA-N 420.372 5.222 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C(F)(F)Cl)N1 587707488 WCOPKAUAASXKJN-QFYYESIMSA-N 404.657 5.198 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(C(F)(F)F)N1 587710102 QLVCEUNZNOIBPZ-JDNHERCYSA-N 422.647 5.582 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=Cc3ccc(N)c4cccc2c34)N1 587742811 BCPWJDILQSJSSW-AMXDTQDGSA-N 409.302 5.128 0 1 HKAF CCC[C@H](CC1(c2nc3ccc(Cl)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782321 RZFZAOMKHIBXEH-LJQANCHMSA-N 424.972 6.578 0 1 HKAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)cc1 587787826 WZXJVTBXBDIUHK-RYUDHWBXSA-N 410.779 5.058 0 1 HKAF Cc1cc(C)c2[nH]c3c(c2c1)CC[C@@]31N[C@H](C)Cc2cc(Br)c(F)cc21 587804693 RZRDIRHROCUKKQ-DMZKTXOQSA-N 413.334 5.410 0 1 HKAF CC(=O)c1c(C)cc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587814742 IRHPCADCMLYGEW-XUSGNXJCSA-N 404.323 5.340 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C=O)cc3)cc2)N1 587817774 AYHDWOLEEAOQPB-QKFKETGDSA-N 424.313 5.691 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2oc2ccccc23)N1 587831245 HRPADBKDLVDTTR-LAJNKCICSA-N 410.286 6.111 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccccc1C=Cc1ccccc12 587831801 XVIPQOVBMBGSCI-OAHLLOKOSA-N 420.325 5.898 0 1 HKAF COc1cc(O)cc(-c2cccc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)c2)c1 587930467 CIDJQFAMTQQKBN-UHFFFAOYSA-N 423.310 5.990 0 1 HKAF CC/C(=C/c1nc2cc(OCC(C)C)c(Br)cc2[nH]1)c1ccc(C)cc1 587967616 OYCVXGHKALAPFG-YBEGLDIGSA-N 413.359 6.619 0 1 HKAF CCCCN(c1ccc(C)nc1)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 653835841 GDYYWPTWFXSJBC-UHFFFAOYSA-N 409.603 5.287 0 1 HKAF Cc1cccc(CC[C@]2(c3ccc(Cl)cc3)c3ccsc3CCN2C(N)=O)c1 962720689 XRWUAKHAEUBYAB-QHCPKHFHSA-N 410.970 5.523 0 1 HKAF CC(C)c1nn(C)c2c1[C@@](C)(c1ccc(-c3ccc(Cl)cc3Cl)o1)NCC2 962914029 CHVBDESIUKQFCZ-OAQYLSRUSA-N 404.341 5.520 0 1 HKAF COc1cccc2c3c(cnc12)CCN[C@@]3(c1cc(C)cc(C)c1)c1ccc(C)cn1 963046916 LTGBEXQMQIKESF-MHZLTWQESA-N 409.533 5.001 0 1 HKAF Cc1ccc2oc([C@@H]3N[C@@H](C(=O)O)Cc4ccc(Cl)c(C(F)(F)F)c43)c(C)c2c1 963171423 BWAPENRBJXPMAY-RDTXWAMCSA-N 423.818 5.410 0 1 HKAF CN1CCc2c(Br)cccc2[C@@]12CCc1c2[nH]c2ccc(Cl)cc12 963282213 WXQXBVDKQJCPGL-HXUWFJFHSA-N 401.735 5.262 0 1 HKAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1cccc(Cl)c1)c1ccc(C)c(C)c1 963609488 NJOPOGQUSFPONI-HFJWLAOPSA-N 421.968 5.800 0 1 HKAF S=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)NC1C2CC3CC(C2)CC1C3 1857638198 XSAXJQNYJUGKML-UHFFFAOYSA-N 420.666 6.266 0 1 HKAF Cc1cc2nc(O)cc(-c3ccccc3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1 1857772218 VFAHGILRWVCSSH-UHFFFAOYSA-N 424.544 5.723 0 1 HKAF CC(=CC=C[C@H](C)C[C@H]1OC(=O)C(C)=C1O)CCCc1coc(Cc2ccoc2)c1 2356510874 PTQLMVKRWRINAA-FDDCHVKYSA-N 410.510 6.072 0 1 HKAF CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)C=C[C@H](C)C(C)C)CC[C@@H]32)C1 2356773183 SMKIZRWLCFABEH-VPUBHVLGSA-N 412.702 8.065 0 1 HKAF CC[C@H](CO)Oc1cc(NCc2ccc(C(F)(F)F)cc2)c2ncn(C(C)C)c2c1 61948947 KIDQNDXIOWCLOQ-QGZVFWFLSA-N 421.463 5.398 0 3 HKAF CCCC(=O)Nc1ccc(-c2cncc(N[C@H](CCC)c3cccnc3)n2)cc1OC 3960747 VDFNEYLYERKZKT-LJQANCHMSA-N 419.529 5.239 0 1 HKAF CCCN(CC1CC1)c1cc([C@@H](OC)c2c(CC)cc(CC)cc2CC)nc(C)n1 28352698 RGPOFTZANLPEPV-AREMUKBSSA-N 409.618 5.834 0 1 HKAF Cc1ccc([C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN2C(=O)c2ccccc2)cc1 29128760 LSXGYACLBJICLR-MUUNZHRXSA-N 416.524 6.654 0 1 HKAF CCN1CCC[C@H](Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3ccccc23)C1 29204731 CWKKEUGZNRCJGN-HNNXBMFYSA-N 416.356 5.576 0 1 HKAF Cc1cccc(C)c1NC(=O)[C@@]1(C)CCC[C@]2(C)C3=C(CC[C@@H]12)C[C@H](C(C)C)CC3 34778477 CSIVOLSDYXXYMG-APASRLOHSA-N 407.642 7.601 0 1 HKAF Cc1ncc(NC(=O)c2cc(NC(=O)c3cc(F)cc(Cl)c3)ccc2Cl)s1 40913427 KUHJNLPHCHGERT-UHFFFAOYSA-N 424.284 5.402 0 1 HKAF CCOC(=O)c1cnc2c(OC)cc(OC)c(Cl)c2c1Nc1cccc(C)c1 45203009 AINRIYCKKQIYEH-UHFFFAOYSA-N 400.862 5.134 0 1 HKAF Cc1cccc2nc(-c3ccc(-c4cccc(CN5C[C@@H](C)O[C@H](C)C5)c4)s3)[nH]c12 45335049 AUOLLLFAOWZCJF-QZTJIDSGSA-N 417.578 5.876 0 1 HKAF COc1cc2c(cc1OC)[C@@H](C(C)C)N(Cc1coc(-c3ccc(C)cc3)n1)CC2 72103368 KXDQXQZCZRVJJK-XMMPIXPASA-N 406.526 5.423 0 1 HKAF COc1ccc(OC)c(CCNc2cc(Oc3ccc4ccccc4c3)ncn2)c1 82067597 FCTMCTDGKPGZOP-UHFFFAOYSA-N 401.466 5.094 0 1 HKAF COc1cc2nc(N(C)Cc3ccccc3)nc(NCCC(C)(C)C)c2cc1OC 82129435 FCKLCGPSJCXIOH-UHFFFAOYSA-N 408.546 5.132 0 1 HKAF O=NN1N=C(c2cccs2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 82157766 WHEFLOYIPFHFLM-HXUWFJFHSA-N 417.469 5.572 0 1 HKAF Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)oc1C 82175365 CVLUIZGUZHAYNA-QZMRNICNSA-N 420.532 6.037 0 1 HKAF Cc1ccc(N2C(=O)CS[C@@H]2c2sc(-c3ccc(Cl)cc3)nc2C)cc1 95558710 WIALRAPSXLJYHJ-HXUWFJFHSA-N 400.956 5.859 0 1 HKAF Cc1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4Cl)CC(O)=C32)o1 103921017 IZKHWUYCBHWLFI-MYYSRTQBSA-N 404.897 6.870 0 1 HKAF CC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(O)=C2[C@@H]1c1cccs1 104049397 DPMLOSSSACEVOZ-WNSKOXEYSA-N 404.491 5.911 0 1 HKAF C[C@H](CCC[C@](C)(O)CO)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118923933 WYLBDLGJLBJKSV-XWXSNNQWSA-N 418.662 5.476 0 1 HKAF Cc1cc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)ccn1 139533250 JDOYGGXRQKERCW-UHFFFAOYSA-N 406.445 5.352 0 1 HKAF Fc1cc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)ccn1 143273812 KWDCUJFCRKANAW-UHFFFAOYSA-N 414.465 6.428 0 1 HKAF O=C(OC[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1cccs1)c1ccc2ccccc2c1 169359630 HKCXATAGMOKJIB-XQOXTZCGSA-N 415.558 5.624 0 1 HKAF C[C@@H](c1ccccc1)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ncc2c1 202124246 VKLQVNOXLJTORI-HNNXBMFYSA-N 423.476 5.069 0 1 HKAF COc1c(CC=C(C)C)c2c(c3oc(=O)cc(-c4ccccc4)c13)C(=O)[C@H](C)[C@@H](C)O2 238764611 DJQOFJYLUOKIRR-HZPDHXFCSA-N 418.489 5.577 0 1 HKAF O=Cc1ccc(OCc2occc2-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1 586900105 CVPYNKYQUJOKFF-UHFFFAOYSA-N 422.440 5.445 0 1 HKAF CCCCOc1cc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2cc1Br 586902355 KPBZDEBWTUPAHJ-KDOFPFPSSA-N 401.304 5.073 0 1 HKAF O=[S@@](Cc1nc2c(Cl)c(Cl)cnc2[nH]1)C(c1ccccc1)c1ccccc1 586961326 UVVDKABZERIAMY-MHZLTWQESA-N 416.333 5.303 0 1 HKAF Nc1cc(C(F)(F)F)ccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987299 VKSSEBPEIHSTCM-UHFFFAOYSA-N 406.363 5.420 0 1 HKAF FC(F)(F)c1cccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 586998860 QOVNSVQHUGJJPC-SNAWJCMRSA-N 411.177 5.243 0 1 HKAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 587010920 FSDYAGROBPGWFF-UHFFFAOYSA-N 405.470 6.198 0 1 HKAF Cc1ccc(-c2nc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c(C)s2)cc1 587013432 OKNYPEPOFATVOV-UHFFFAOYSA-N 407.848 6.642 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(C(=O)N(C)C)ccc4[nH]3)c21 587030769 KZCRTVMVCMQVDG-AWEZNQCLSA-N 404.539 5.224 0 1 HKAF COc1cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc(Cl)c1OCC(C)C 587046637 ZDLSLBUUIYNHBY-UHFFFAOYSA-N 414.811 5.825 0 1 HKAF FC(F)(F)Oc1cc(Br)cc2nc(CNc3ccccc3Cl)[nH]c12 587061703 IDVWQZUHSCEXRD-UHFFFAOYSA-N 420.616 5.490 0 1 HKAF CCCOc1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cc1Br 587079618 FAIYLXFECUWJDU-UHFFFAOYSA-N 418.722 5.771 0 1 HKAF Cc1ccc2c3c(c4c(nc13)-c1ccccc1[C@@H]4c1ccccc1)-c1ccccc1C2=O 587100005 CSNIQKCLRKKBAT-DEOSSOPVSA-N 409.488 6.915 0 1 HKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 587239352 WHIDHSQNDVSCDK-UHFFFAOYSA-N 400.379 5.729 0 1 HKAF CC[C@]1(c2ccc([C@H](C)OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345703 GHZGVKQAGHKGDG-SJZLBXHKSA-N 420.480 5.903 0 1 HKAF CCc1ccc(OC)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587354046 SVUMTZQLYOCOTI-UKILVPOCSA-N 406.453 5.377 0 1 HKAF CC(C)(C)c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587354148 NBBSJHYEHNHSBV-OZXSUGGESA-N 404.481 6.103 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cc(Br)ccc3nc1Cl)O2 587373243 SNLDEIJGLCDAKY-KRWDZBQOSA-N 417.690 5.248 0 1 HKAF CCc1nc2c(s1)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587375485 SVYARCQQAIIUAZ-OFNKIYASSA-N 409.482 5.141 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(F)(F)F)nn1C1CCCC1)CC2=O 587464051 HLGDSTFKZBPINY-GOSISDBHSA-N 408.420 5.382 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(SC)cc3)cc1F)CC2=O 587467460 SHPMGULUGUBKLQ-XMMPIXPASA-N 422.521 6.579 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(C=C(c3ccccc3)Oc3cc(N)ccc31)CC2=O 587473230 RKCZLJNGRBGDRG-AREMUKBSSA-N 413.473 5.221 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H]([C@@H](c1ccccc1)c1cc(C)ccc1C)CC2=O 587491339 WZACQSXWJRBBRM-FTJBHMTQSA-N 400.518 6.127 0 1 HKAF COc1ccc(OC)c2nc(Cl)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc12 587497106 FMWHCRZKUYDVJH-OAQYLSRUSA-N 423.896 5.491 0 1 HKAF O=C1C[C@@H](c2coc3c(Cl)cc(Cl)cc3c2=O)Oc2c1ccc1c2CCCC1 587499031 KQVCPSPPJJYLOL-IBGZPJMESA-N 415.272 5.685 0 1 HKAF CC(C)(C)C(=O)Nc1nc(Cl)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501185 RBZQTGXGMIYFQN-GOSISDBHSA-N 412.917 5.305 0 1 HKAF CC[C@]1(c2ccc(OC(=O)C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587521149 CZRHYPJKYHVYRT-AREMUKBSSA-N 406.522 5.788 0 1 HKAF Cc1[nH]c2ccccc2c1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587521887 DECBLVHRFIUENT-NDEPHWFRSA-N 407.513 6.264 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(Cl)c1Cl 587554744 JCTYALDUPIXLQA-FOIQADDNSA-N 405.208 5.541 0 1 HKAF C[C@@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613264 NPXQFLVROWZEMR-LPHOPBHVSA-N 417.280 5.093 0 1 HKAF CC(C)c1ccc2c(c1)[C@]1(CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613521 YHRVVZAPNUDXGX-OZXSUGGESA-N 416.473 5.545 0 1 HKAF Cc1ccc([C@]2(c3ccco3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587614941 DQELZCMVAUFDCN-ZEQKJWHPSA-N 412.441 5.507 0 1 HKAF COc1ccc2oc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)c2c1 587618234 SQFDPHMOONAVCP-SQJMNOBHSA-N 416.429 5.332 0 1 HKAF Cc1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C)ccc1Br 587621573 XQNMTVXSHDCSFR-UHFFFAOYSA-N 419.120 5.853 0 1 HKAF O=C(c1c(-c2ccccc2Br)[nH]c2ccc(F)c(Cl)c12)C(F)(F)F 587628819 QVQCDWKMFQYZDX-UHFFFAOYSA-N 420.587 6.135 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1Cc1ccccc1C(F)(F)F 587655772 QNYVEDODWUQQBS-UHFFFAOYSA-N 416.349 5.409 0 1 HKAF C[C@H]1C[C@]2(CCN1Cc1ccccc1)N[C@H](C)Cc1ccc(F)c(Br)c12 587759617 HBRSYVOUBZTUHI-VVBPWWLESA-N 417.366 5.002 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccncc3)cc2)N1 587777764 JNCREGLBJNTXGF-JLCFBVMHSA-N 411.318 5.448 0 1 HKAF CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C/[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587813347 BUWBDKUUDKUAFG-YRJYOBIZSA-N 420.410 6.522 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H](Cc3ccccc3)C2)N1 587816969 GMQPZTYOXZEMAC-ZDPZECHZSA-N 402.351 5.751 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc3ccccc3c2Cl)N1 587852596 HNUBHIQLHRRCAR-XLFHBGCDSA-N 410.739 6.080 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc2ncccc2c1 587858331 FEYVXGNWKHUXLM-UHFFFAOYSA-N 412.276 5.492 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(Br)c(C)c1 587860773 CCBSSGHXRCHUMY-UHFFFAOYSA-N 411.221 5.638 0 1 HKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3cccc4cnccc34)n2)cc1 587922265 ABZATGLESPWHOT-UHFFFAOYSA-N 421.500 7.313 0 1 HKAF COc1ccc2cc([C@@H](C)c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)ccc2c1 587935202 QPXUFDYXYWWNDY-SECBINFHSA-N 406.795 5.290 0 1 HKAF Oc1cc(-c2cccc(Cl)c2)c(O)n1CC1CCN(Cc2ccc(F)cc2)CC1 587945558 GGWBESVRLUUQIK-UHFFFAOYSA-N 414.908 5.271 0 1 HKAF Fc1ccc(CN2CCC(Cn3c(-c4ccccc4)ccc3-c3ccccc3)CC2)cc1 587947606 YLJLDTLJIWUGGJ-UHFFFAOYSA-N 424.563 6.873 0 1 HKAF CC(C)Oc1cc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2cc1Br 587960375 BJYCTCRDXFNBBL-UHFFFAOYSA-N 421.338 6.370 0 1 HKAF CCc1ccc([C@]2(c3cc(C)ccn3)NCCc3cc(-c4ccccc4)ccc32)cc1 962664421 GNYZXUOJPBFUFK-LJAQVGFWSA-N 404.557 6.057 0 1 HKAF COC(=O)[C@@H](n1cccc1[C@H]1NCCc2cccc(-c3ccccc3)c21)C(C)(C)C 962673319 WPSFNNUTWMKDQI-DNQXCXABSA-N 402.538 5.150 0 1 HKAF CCCOc1ccc([C@]2(c3ccc(Cl)nc3)NCCc3c2sc(C)c3C)cc1 963027372 SNOKHRKFGVRHRK-HSZRJFAPSA-N 412.986 5.640 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1ccc(-c2cccc(C(F)(F)F)c2)s1 963233991 DQVPVLZQKMUODI-WAIKUNEKSA-N 415.524 7.180 0 1 HKAF S=C(NCc1ccccc1)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 1772628446 JODAQGCFLXRTNK-UHFFFAOYSA-N 419.941 5.513 0 1 HKAF CC(C)[C@@H](C)C(=O)C[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1772638630 WPXCCXWOLJFEND-VIEGYKDUSA-N 412.658 6.734 0 1 HKAF O=C(Nc1ccc(-c2nonc2-c2ccc(F)cc2)cc1)Nc1ccc(F)cc1F 1772653801 ADCZUIZBYLYOON-UHFFFAOYSA-N 410.355 5.465 0 1 HKAF Cc1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCc1nc2ccccc2s1 1857573019 QHCBQJCRMBXMOX-UHFFFAOYSA-N 423.925 6.481 0 1 HKAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@]3(C)CC[C@@](C)(CCC(=O)O)C[C@@]3(C)CC[C@]21C 2356400789 KENPOJGXNZZKMX-NNRYINNASA-N 416.646 6.886 0 1 HKAF CC(C)=C[C@@H]1Oc2cc(O)ccc2-c2oc3cc(O)c(C=CC(C)C)c(O)c3c(=O)c21 2356443849 AXHZIEAQVMBUKO-IBGZPJMESA-N 420.461 5.646 0 1 HKAF CCCC=CC[C@@H]1CC=CC=C(C)C=CC=C[C@@H](O)[C@H](O)C=C(C)C=CC=CC(=O)N1 2356489521 ALYLZDHKQZUVDF-TWJOJJKGSA-N 423.597 5.017 0 1 HKAF COC(=O)C(C)=CC=CC=C(C)C=CC=C(C)C=C[C@]1(O)C(C)(C)CCC[C@]1(C)O 2356603597 GEKLHUINVVEIBY-UIOOFZCWSA-N 414.586 5.359 0 1 HKAF CC(C)=CC[C@@H]1C(C)=CC[C@H](c2ccc(O)cc2)[C@H]1C(=O)c1c(O)cc(O)cc1O 2356693629 LTYUEHHTNMCSPR-VIZSFHNOSA-N 408.494 5.414 0 1 HKAF CC=C(C)C[C@H](OC(=O)c1ccc(O)c(OC)c1)[C@@H]1C(C)(C)CC[C@@]1(O)C(C)C 2356843304 NKLGGRDVPJYMFG-YZUZCNPQSA-N 404.547 5.106 0 1 HKAF CC(C)(C)c1noc(-c2cc(Br)ccc2F)c1C(=O)NC1CCCC1 775492 RRBSHYVKZWYENB-UHFFFAOYSA-N 409.299 5.213 0 1 HKAF Nc1cc(OCc2ccccc2)c2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1 1489189 JGSOKYHCMXFSQG-UHFFFAOYSA-N 410.452 5.592 0 1 HKAF Cc1cc(O)cc2c1O[C@@]1(C)CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@H]1C2 6070029 LRMHPGVONLYGQD-GGQWBCBCSA-N 412.614 6.024 0 1 HKAF CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Cl)c(Cl)c3)c(CC(=O)O)n2C1 13737361 MYIOGFVMPOYTRV-UHFFFAOYSA-N 414.332 6.338 0 1 HKAF Fc1ccc(F)c(CO[C@@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 13744507 PKFHCOCRXHWTGR-KAYWLYCHSA-N 419.515 5.776 0 1 HKAF Fc1cccc2nc(N3CCN(Cc4ccc5ccccc5c4)CC3)c3cccn3c12 13801509 DATORPPFSLPRCN-UHFFFAOYSA-N 410.496 5.102 0 1 HKAF CCN(C)CCc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c2ccccc12 26647083 BKJQLMPFZFHIMJ-UHFFFAOYSA-N 414.393 6.367 0 1 HKAF CCCC(CN/C1=N/CCCCCCCCCCC1)(c1ccccc1)c1ccccc1 27107893 GPBIVGMZDLYCDG-UHFFFAOYSA-N 418.669 7.676 0 1 HKAF CCCCc1ncc(/C=C(/Cc2ccsc2)C(=O)O)n1Cc1ccccc1Cl 28006558 UPQNQTPFWQDAED-PDGQHHTCSA-N 414.958 5.700 0 1 HKAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC/C(=C\c5ccccn5)[C@@]4(C)CC[C@@H]32)C1 35243322 QTBNQDDWDWZKQP-XTXNNWENSA-N 405.582 6.360 0 1 HKAF CC1=C(C(C)C)[C@H]1C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 38262474 HBUXJBGKOKXRBP-IBQLDKMXSA-N 410.686 7.555 0 1 HKAF Cc1ccc(C(=O)Nc2ccc(O[C@@H]3CCN(CCC(C)C)C3)c(Cl)c2)cc1 45168863 UVHOBWXZLVRRKN-HXUWFJFHSA-N 400.950 5.400 0 1 HKAF Cc1[nH]c(C)c(-c2cccc(Oc3ccc(Cl)cc3)c2)c(=O)c1Br 45209775 UPJTZQLYZVJAKN-UHFFFAOYSA-N 404.691 5.867 0 1 HKAF CCCCc1nnc(C2=C(C)Nc3ccnn3[C@@H]2c2ccc(Cl)c(Cl)c2)o1 45320497 DTMZCDHXMAGDCW-GOSISDBHSA-N 404.301 5.362 0 1 HKAF O=C(O)c1ccc(-c2nc(-c3ccc4oc5c(C(=O)O)cccc5c4c3)cs2)cc1 64553165 OLLCUWXYFSWOKO-UHFFFAOYSA-N 415.426 5.773 0 1 HKAF Cc1cccc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2C(=O)N(C)C2CCCCC2)c1 82145943 ACOIEZYRUXDHMG-PMACEKPBSA-N 420.601 5.339 0 1 HKAF Fc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN2)cc1 82158084 ZRHDJUWEWDAUIK-HSZRJFAPSA-N 416.887 5.771 0 1 HKAF Oc1ccc2c(c1)[C@]1(CCc3ccccc3)CCN(CCc3ccccc3F)C[C@@H]1O2 96927723 MZECNVZIHKKHMP-SVBPBHIXSA-N 417.524 5.111 0 1 HKAF CCCCCn1nc(C(=O)NC23CC4C[C@](C)(C2)C[C@](C)(C4)C3)c(=O)c2ccccc21 101096667 NMGDBJJPTLDOFA-SOHPKTPWSA-N 421.585 5.066 0 1 HKAF COP(=O)(OC)[C@H](OC(=O)COc1cccc(Cl)c1Cl)c1ccccc1 103292595 IVZCIKKXRZUMDQ-KRWDZBQOSA-N 419.197 5.100 0 1 HKAF Cc1cc2c(cc1C)N[C@H](c1cccc(C(F)(F)F)c1)C1=C(O)CC(C)(C)CC1=N2 103934510 DYYPSXMXCLVMDF-JOCHJYFZSA-N 414.471 7.194 0 1 HKAF Cc1c(OCCCCOc2cccc(C(=O)O)c2)ccc(C(=O)CC2CCCC2)c1C 169351393 AQGDFDANGIGIEC-UHFFFAOYSA-N 424.537 6.003 0 1 HKAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(-c2ccc(SC)cc2)s1 169372055 DKEAXYAQHUXDHX-DQEXOGHXSA-N 411.592 5.176 0 1 HKAF CC[C@H](c1ccccc1)[C@H]1C(=O)CC(Cc2ccccc2)(Cc2ccccc2)OC1=O 169715014 SVKAWNDHMZZVIH-RSXGOPAZSA-N 412.529 5.537 0 1 HKAF Cc1cccc([C@H]2CC(c3ccc(Cl)c(Cl)c3)=NN2c2nc(O)cs2)c1 169728181 QLICBVBIPNXKQF-QGZVFWFLSA-N 404.322 5.820 0 1 HKAF Cc1c(-c2cccc(F)c2)ccc(F)c1CNc1c(F)ccc(OCC(=O)O)c1F 218898749 GNNULWFJOWPGMW-UHFFFAOYSA-N 419.374 5.294 0 1 HKAF CC(C)[C@@H](C)[C@H](C)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](CO)CC[C@]4(C)[C@H]3CC[C@@]21C 255260234 PYJKQCSFRBLZJN-MTTGZNCESA-N 416.734 7.818 0 1 HKAF CN1[C@H]2CC[C@H]1[C@@H](COC(c1ccccc1)c1ccccc1)[C@H](c1ccc(F)cc1)C2 261126408 KHRLEZKJOSUGEB-FWEHEUNISA-N 415.552 6.198 0 1 HKAF CSc1cccc(N=c2[nH]c(-c3ccc(Cl)cc3)c(-c3ccc(C)cc3)s2)c1 473086917 IPKPHHCKFJADIW-UHFFFAOYSA-N 423.006 7.326 0 1 HKAF CC(C)CN(Cc1ccc(C(=O)O)cc1)C(=O)c1ccc(Oc2ccccc2F)cc1 584598184 CMQWTHVXHRXUNC-UHFFFAOYSA-N 421.468 5.615 0 1 HKAF CCCCc1cc(=O)oc2cc(OCc3nc4ccc(OC(C)C)cc4[nH]3)ccc12 586918105 IPKQDDVSWNKLOT-UHFFFAOYSA-N 406.482 5.378 0 1 HKAF Cc1cc2nc(COc3ccc(Br)cc3C)[nH]c2cc1Br 586981030 JPDXSBBAJYNLRO-UHFFFAOYSA-N 410.109 5.284 0 1 HKAF CCCCCc1c(-c2cccc(OC)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586993583 YEYSQZMATHSZEV-UHFFFAOYSA-N 423.512 6.560 0 1 HKAF Cc1ccc2c3c(cc(-c4cc(Br)cnc4F)nc13)-c1ccccc1C2=O 586997646 URIFCHWSOOMZML-UHFFFAOYSA-N 419.253 5.718 0 1 HKAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc(Br)cc(F)c2[nH]1 587012945 VLSNOWZSVUEQJS-UHFFFAOYSA-N 402.292 5.487 0 1 HKAF Fc1cc2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc2cc1Br 587016397 VCPMCLKRHYVUIJ-UHFFFAOYSA-N 408.683 5.908 0 1 HKAF CCCOc1cc2nc(-c3c[nH]cc3-c3scnc3C)[nH]c2cc1Br 587028620 XIWPNZKZWOFNOI-UHFFFAOYSA-N 417.332 5.541 0 1 HKAF O=C1CSc2ccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)cc2N1 587042800 HFPVULLUWUKTQK-UHFFFAOYSA-N 417.334 5.312 0 1 HKAF CC(C)(C)c1cccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587071602 QGWSFCANHJOXOF-NTCAYCPXSA-N 416.952 7.263 0 1 HKAF COc1ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(C(F)(F)F)c1 587095483 GOBIFKZSTQJCRT-UHFFFAOYSA-N 406.589 5.068 0 1 HKAF Cc1ccc2c3c(cc(-c4ccc(N5CCCCC5)cc4)nc13)-c1ccccc1C2=O 587099086 ZTUBSZHDIFBYHB-UHFFFAOYSA-N 404.513 6.412 0 1 HKAF CC1=CC[C@H](C)C(C)(C)[C@H]1/C=C/c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099899 XAHZLLOXDWZBSL-PXAQKVAPSA-N 407.557 7.396 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(Cl)cc3Br)nc3cccc1c23 587102096 QADBHZNAPFMPDE-UHFFFAOYSA-N 420.693 6.529 0 1 HKAF FC(F)COc1cccc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)n1 587125582 SKFFPJPFMWZIMZ-UHFFFAOYSA-N 422.151 5.050 0 1 HKAF CC(C)Oc1ccc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1 587129383 IXENLBIFPZSSTK-MRVPVSSYSA-N 404.795 5.685 0 1 HKAF Fc1c(F)c(F)c(/C=C/c2nc3cc(Br)cc(Cl)c3[nH]2)c(F)c1F 587132816 VLUHIEYPMRDWIW-OWOJBTEDSA-N 423.566 5.845 0 1 HKAF COc1c(F)ccc(F)c1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587133301 SBVDFFYYYKBXRD-UHFFFAOYSA-N 407.136 5.298 0 1 HKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(Br)c(F)ccc3[nH]2)cc1 587159282 WXFHDVBMXISYCM-UHFFFAOYSA-N 413.221 5.750 0 1 HKAF Cc1cc(F)c2[nH]c(-c3ccc(Oc4ccc(F)cc4Br)nc3)nc2c1 587161048 LEDWSWSIXBXXBA-UHFFFAOYSA-N 416.225 5.766 0 1 HKAF Fc1ccc(/C=C(/c2nc3ccc(Oc4ccccc4)cc3[nH]2)c2cccs2)cc1 587164917 ZAAORRNDGHCOCE-RCCKNPSSSA-N 412.489 7.145 0 1 HKAF COc1ccc(-c2nc3cccc(C(C)(C)C)c3[nH]2)c(I)c1 587180651 VXTZYKZSBFDNSI-UHFFFAOYSA-N 406.267 5.141 0 1 HKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc(Br)c(F)c3[nH]2)c1 587242058 MGEDWGDPJJECKX-UHFFFAOYSA-N 404.283 5.506 0 1 HKAF C[C@@]1(c2cc(F)c(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331704 JWNBHQYCSMGFAK-JTSKRJEESA-N 420.333 5.362 0 1 HKAF COc1cccc(-c2cc(-c3c(C)[nH]c4ccccc34)nc3c2oc2ccccc23)c1 587364166 YUUXNNOPXVXTCD-UHFFFAOYSA-N 404.469 7.113 0 1 HKAF COc1ccc2c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cn(C(=O)OC(C)(C)C)c2c1 587389202 FYVWTDUNHLSINW-OAQYLSRUSA-N 422.481 5.030 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(Br)s3)s1)O2 587415210 YMGLWHRLCADLKK-ZDUSSCGKSA-N 420.353 5.836 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccc(F)c(F)c4)cc1)[C@@H](C2)C3=O 587426697 PFUZXYZLRQLJAM-UUOWRZLLSA-N 408.400 5.041 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc(OC)c(Cl)c1)CC2=O 587462895 SGDCQTDAZVBVRZ-JOCHJYFZSA-N 411.885 5.504 0 1 HKAF CCCC[C@@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587505968 MLOJDVOVXIKHDN-QHCPKHFHSA-N 403.349 6.923 0 1 HKAF CC(C)(C)OC(=O)N[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587510439 GTUFMAWQPCZFIY-HFZDXXHNSA-N 419.521 5.396 0 1 HKAF CCC[C@]1(c2ccc3c(c2)nc(S)n3CC)CC(=O)c2ccc3c(c2O1)CCCC3 587530319 BZFNKCUIBHSYEQ-RUZDIDTESA-N 420.578 5.885 0 1 HKAF Cc1cc(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587538866 GYZDFDQDTHZVFA-NQIIRXRSSA-N 411.251 5.166 0 1 HKAF COc1cc(C)c(Cl)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541546 FNVCYVGUYZMRIQ-OFNKIYASSA-N 410.853 5.240 0 1 HKAF CCCN(CCC)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587573950 VJWWLCQCNCJBEP-BVAGGSTKSA-N 417.505 5.722 0 1 HKAF CC[C@H](C)c1ccc(OC)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587594921 PWUKNYNVBPJXDF-UNGHYCQRSA-N 404.462 5.617 0 1 HKAF Cc1cccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 587600310 ANDDXLBLDCFMKR-IGKIAQTJSA-N 408.453 6.071 0 1 HKAF Cc1ccc(Oc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601069 QIMAELQGEUOJKS-SQHAQQRYSA-N 424.452 6.196 0 1 HKAF CC(C)CSc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587612569 JUZLCEGWOAPEKF-URXFXBBRSA-N 406.503 5.843 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(F)(F)F)(c2ccc(F)cc2)N1 587711219 WQVNKGHASXRINN-BTDLBPIBSA-N 420.219 5.458 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OC(F)(F)F)ccc2F)N1 587720287 MJVOKINIHLVBAJ-BCTVWOGZSA-N 422.191 5.250 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccc(F)cc3)on2)N1 587730998 GPXSNAFNTAFDMG-APBUJDDRSA-N 405.242 5.006 0 1 HKAF COc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587753070 HOEAHQUVUIVDNI-LRTDBIEQSA-N 415.306 5.011 0 1 HKAF CCCOc1c(OC)cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587794098 OAQIECDVLOZWDQ-CWTRNNRKSA-N 408.311 5.009 0 1 HKAF CCCCCCc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587814937 JGBQJPMRTOGUCX-QMHKHESXSA-N 418.394 6.509 0 1 HKAF CCc1cc(CC)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(CC)c1 587821735 XHAMBQLRFNMIBA-WHEQGISXSA-N 404.367 5.899 0 1 HKAF CCCCc1oc2ccccc2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587825874 BKICILPVLRXABQ-XMHCIUCPSA-N 416.334 6.301 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2oc2ccccc23)N1 587831250 HRPADBKDLVDTTR-XUSGNXJCSA-N 410.286 6.111 0 1 HKAF CCCC[C@@]1(CCCCC(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 587832700 ZZVDKXOSZUNAMO-YJYMSZOUSA-N 400.332 5.153 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2sccc2Br)N1 587842853 GQICAXTZQZQLKC-VXJOIVPMSA-N 419.157 5.210 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccccc3)s2)N1 587854939 SPAKAGWBIHBNAJ-VOJFVSQTSA-N 403.320 5.335 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](C)c2nc3ccccc3s2)N1 587857599 LDXFOALZSAIIAQ-XAAFQQQXSA-N 419.363 5.751 0 1 HKAF O=C(c1cccc(COCC(F)(F)C(F)F)c1)n1nc2cc1Oc1ccc(F)cc1-2 587873713 HVAURDCYNKHFHP-UHFFFAOYSA-N 424.325 4.900 0 1 HKAF CC(C)(C)Oc1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 587924288 QDQJBVUTGUDVKT-UHFFFAOYSA-N 402.541 5.026 0 1 HKAF N=C(Nc1ccc(-c2ccc(-c3ccccc3)o2)c(OC2CCCC2)c1)c1ccccn1 653713175 RHCXEUPCQAULRJ-UHFFFAOYSA-N 423.516 6.767 0 1 HKAF Cc1ccc(C(=O)N2N=C(c3cc4ccccc4oc3=O)C[C@@H]2c2ccccc2)cc1 653743761 MTODFGJEWYRAJL-HSZRJFAPSA-N 408.457 5.093 0 1 HKAF COc1cc2c(cc1OC)[C@@](c1ccccc1Cl)(c1ncccc1C)N(C)[C@@H](C)C2 962635168 RBHPEJFPSFSIMH-GKVSMKOHSA-N 422.956 5.229 0 1 HKAF c1ccc(-c2cnc([C@H]3c4ccccc4C[C@H]4CN(c5ccccc5)CCN43)s2)cc1 962645835 RXSWOUFEROIQDP-JYFHCDHNSA-N 423.585 5.646 0 1 HKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(CCN(Cc3ccccc3)c3ccccc32)N1 962944908 IFQOBNDWYQMDNH-RBTNQOKQSA-N 407.561 5.746 0 1 HKAF C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(-c4c[nH]c5nccc-5c4)cc3c21 1857572962 MTXBWEKFXFBUHY-AWEZNQCLSA-N 408.440 5.223 0 1 HKAF O=C(O)C=Cc1ccc(-c2cc(CO)c(O)c(C3C4CC5CC(C4)CC3C5)c2)cc1 2356351593 AQAXGELINCCUPD-UHFFFAOYSA-N 404.506 5.189 0 1 HKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 2356463159 QTDBKXCBANSXOY-CSSULYIESA-N 418.662 5.618 0 1 HKAF CC(C)=CCOc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(C)(C)C=C4)cc1 2356713736 QKOGFXYWPXGZNI-UHFFFAOYSA-N 404.462 5.695 0 1 HKAF CCCCC[C@H](O)C=CC=CCC1(CC[C@H](CCC(=O)O)CCC(C)C)CCCC1 2356727482 PFPYIBQENNEECG-DQEYMECFSA-N 420.678 7.688 0 1 HKAF COc1cc(C=CCO)cc(O)c1OCC=C(C)CCC=C(C)CCC=C(C)C 2356753910 OWYVGANMNUNBLO-UHFFFAOYSA-N 400.559 6.204 0 1 HKAF CC(CCC(=O)CCCCC[C@@H](O)CC1CCCCC1)=C(C)C[C@H](O)C(C)(C)C 2356782324 DQEHNEXJPVNFBV-RPBOFIJWSA-N 408.667 6.751 0 1 HKAF CC(=O)Nc1cccc(Oc2nc(NC(C)C)nc3cc(-c4ccccc4)sc23)c1 61907970 GOJBVNIXWJCOLP-UHFFFAOYSA-N 418.522 5.929 0 3 HKAF C[C@H]1CC=C[C@@H]2[C@@H](c3ccc(-c4ccoc4)cc3F)N(Cc3ccccc3)C(=O)[C@H]12 13830380 MSAYVNPLYDDUJO-GFMFPXRISA-N 401.481 5.998 0 1 HKAF Oc1cc(O)c2c(c1)CCCCCCCCCCCCCCc1cc(O)c-2c(O)c1 14763949 HKKBXNLYXSFUFL-UHFFFAOYSA-N 412.570 6.956 0 1 HKAF biogenic O=[N+]([O-])C(/C(Cl)=C(\Cl)Br)=C(/Cl)SCc1ccccc1 17260764 PIJDKZLUMSPLSQ-GOOGBFEESA-N 403.512 5.646 0 1 HKAF CC/C(=C\C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 33820623 JNYKCGNCXSSXEF-JACNMLTHSA-N 412.702 7.945 0 1 HKAF Brc1cccc(Sc2ncccc2OCCCc2cccnc2)c1 34340940 DNQCFRJACLVFRL-UHFFFAOYSA-N 401.329 5.402 0 1 HKAF Cc1cc(C)cc(Sc2c(C(C)C)c(COC(N)=O)cn2Cc2ccncc2)c1 35015438 QOTPDACZRBCCQR-UHFFFAOYSA-N 409.555 5.418 0 1 HKAF CC(C)N(C)c1ccc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1 36351779 MPLZJJHETRKHRI-UHFFFAOYSA-N 415.459 5.670 0 1 HKAF Cc1sc2c(c1Br)[C@H](c1ccc(Br)cc1)CN(C)C2 38157553 HOFWGDUADIMBKR-LBPRGKRZSA-N 401.167 5.159 0 1 HKAF Cc1ccccc1-c1nncc2cc(-c3c(C)ccc4c(NC5CC5)noc34)ccc12 40431185 PQVHRPXGPBDRRS-UHFFFAOYSA-N 406.489 6.296 0 1 HKAF CCCCOc1ccc2c3cc[n+](Cc4ccccc4)c(C)c3n(CC(C)C)c2c1 49808415 VFIUKORUSHUILF-UHFFFAOYSA-N 401.574 6.274 0 1 HKAF CC(=O)Nc1ccc(-c2nnc(C3(c4ccc(Cl)cc4)CCC3)n2C)c(Cl)c1 71319288 VTGIWYUUZDTUEM-UHFFFAOYSA-N 415.324 5.217 0 1 HKAF O=C(NCc1ccccc1)[C@@H]1CCCN1c1nc(-c2cccc3ccccc23)cs1 82192018 ZJIZPWBJQXURNA-QHCPKHFHSA-N 413.546 5.249 0 1 HKAF Clc1ccc2c(Nc3ccc4sc(NCCN5CCCC5)nc4c3)ccnc2c1 84458122 LQMAQJDYMFALPF-UHFFFAOYSA-N 423.973 5.749 0 1 HKAF CC(C)CCC[C@H](C)CCOc1ccc(COc2cccc(O)c2C(=O)O)cc1 103244756 ZLWWOGYONVIDEN-SFHVURJKSA-N 400.515 5.901 0 1 HKAF CC(C)CCCCCCCCCCCCCCCCCCCCCCCCCO 114475253 ZVVIVHWMFKRBSY-UHFFFAOYSA-N 410.771 9.997 0 1 HKAF in-vitro C[C@@H](NC(=O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118922335 NOVUBZJSKIJHDS-RUCZSRCTSA-N 421.625 5.745 0 1 HKAF Cn1cc(-c2ccn3c(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc3c2)cn1 168705599 VQGZGYYXZFFFCR-UHFFFAOYSA-N 419.532 5.407 0 1 HKAF CCCCCOC(=S)S[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 169322108 MMLHUMSHVRBXRP-MRXNPFEDSA-N 403.400 6.156 0 1 HKAF COc1ccccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccc(C)cc1C)CC2 169702200 FXQZWDUVNMHZSF-UHFFFAOYSA-N 411.509 5.012 0 1 HKAF COc1cc(-c2nc(-c3cc(C)nc(CF)c3)c3n2C[C@@H](C)OCC3)ccc1Cl 221739642 UJPMBFOKDTUWGG-CQSZACIVSA-N 415.896 5.013 0 1 HKAF CC1=C(C[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)[C@H]1C(C)C 238736454 KRCHOIMKMJBPQW-SWQWYSFSSA-N 412.702 7.635 0 1 HKAF CCCCCC[C@H](O)CCCCCCCCCCCCC(=O)CCC1CCCCC1 238779830 LYEPNIVKRHVMDT-MHZLTWQESA-N 422.738 8.929 0 1 HKAF C[C@@H](CCC[C@@H](C)CC[C@@H]1[C@H](C)CCCC1(C)C)CC(=O)Nc1ccc(O)cc1 253684974 UUDJTOPCDKTLHE-OOICKAIWSA-N 401.635 7.406 0 1 HKAF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255259977 PUGBZUWUTZUUCP-KDSKZUKGSA-N 400.691 7.635 0 1 HKAF CC(C)[C@H](C)/C=C\[C@H](C)[C@@H]1CC[C@@H]2C3=C([C@H](O)C[C@@]21C)[C@]1(C)CC[C@@H](O)CC1=CC3 257531898 RJWIGXOAUROSSK-JURBFOSESA-N 412.658 6.446 0 1 HKAF endogenous,in-man Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3ccc(F)cc3)C2)s1 299866433 OZJZNUZFPZGATF-OAQYLSRUSA-N 419.550 6.675 0 1 HKAF COc1cccc(-c2ccc(CNC(=O)[C@H]3CC34CCCCC4)c3cnccc23)c1 584649069 XJEGKCQCXDJWIP-XMMPIXPASA-N 400.522 5.497 0 1 HKAF Clc1ncc(I)c2[nH]c(-c3ccc(C4CCC4)cc3)nc12 586881258 RZDGKQRGERBQJL-UHFFFAOYSA-N 409.658 5.150 0 1 HKAF Cc1cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2cc1Br 586915225 JIYBMZSXRKBDHX-UHFFFAOYSA-N 423.266 5.402 0 1 HKAF COc1ccc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1Cl 586985515 JEFACURTLGVIFR-UHFFFAOYSA-N 401.849 5.405 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1[nH]c2ccc(F)cc2c1CC3 586988604 NXGGDXVIPVNFCP-UHFFFAOYSA-N 406.416 5.538 0 1 HKAF FC1(F)Oc2cc3nc(-c4ccc(Cl)c(-c5ccc(Cl)cc5)c4)[nH]c3cc2O1 587047153 CSTLTZYELYIAFT-UHFFFAOYSA-N 419.214 6.525 0 1 HKAF COC(=O)c1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587069142 FMOSKPUNVWBTJK-KNTRCKAVSA-N 416.908 6.176 0 1 HKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587070065 POOGVFQQLAYBFY-SECBINFHSA-N 421.678 5.054 0 1 HKAF O=C(c1ccccc1)c1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2c1 587084342 ZAUFTDRHKPWCDR-UHFFFAOYSA-N 409.876 6.176 0 1 HKAF CCCOc1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2cc1Br 587092624 SMTLHUDPGFBTHL-UHFFFAOYSA-N 418.213 5.264 0 1 HKAF CCCC[C@@H](OC)c1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587098095 UZSVWONKDTYPNG-AREMUKBSSA-N 421.540 7.299 0 1 HKAF CC(C)Oc1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1Br 587152856 SPMRMHHASYEZGD-NWDGAFQWSA-N 407.258 5.662 0 1 HKAF Cc1c(Cl)ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587157694 BFXJJODJNOAFAM-HXUWFJFHSA-N 401.268 6.486 0 1 HKAF Cc1cc(Br)cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 587192820 FLNFTIPXPKPOFW-UHFFFAOYSA-N 406.327 5.841 0 1 HKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc4nc(C)ccc4c3[nH]2)c1 587195223 DYYFSVKITRQEGE-UHFFFAOYSA-N 402.498 5.766 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](c1nc2cc(Br)c(F)cc2[nH]1)C1CCCC1 587224251 GTDWCUJQDVEYNS-OAHLLOKOSA-N 412.303 5.221 0 1 HKAF O=Cc1cccc([C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587354120 MZHLEEVCEFRRBB-ILBGXUMGSA-N 402.421 5.008 0 1 HKAF COc1cccc(-c2cc(-c3cc(Cl)ccc3OC)nc3c2oc2ccccc23)c1 587358136 PDCPYOFMLFSSNO-UHFFFAOYSA-N 415.876 6.986 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(C)(C)[C@H]3c2cnn(C)c2)c1 587362580 HQIVNKQDKDAUFK-QFIPXVFZSA-N 409.489 5.813 0 1 HKAF COc1cccc(-c2c(C)c(-c3ccc4c(c3)CCCO4)nc3c2oc2ccccc23)c1 587366969 SNQJXRGEZOHAFH-UHFFFAOYSA-N 421.496 6.957 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](c2ccc(C)cc2)C3)c1 587367757 ULFMZNWQGRTZRO-FQEVSTJZSA-N 419.524 7.238 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(OCC)c(OCC)c1)CC2=O 587461223 RHMPPISMWQBFFB-IBGZPJMESA-N 404.890 5.502 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3ccccc3)c1)CC2=O 587477009 DHFBYCMUELTNSV-RUZDIDTESA-N 418.489 5.639 0 1 HKAF CCCc1c(O)ccc2c1OC1(CC2=O)[C@@H](C(C)(C)C)CC(C)C[C@@H]1C(C)(C)C 587487279 ZQWTWZYOPZHYAQ-NVMPGFAZSA-N 400.603 6.803 0 1 HKAF CC(C)[C@@]1(Cc2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587496087 GYQFTYRHXLPNPT-HSZRJFAPSA-N 413.355 5.931 0 1 HKAF O=C1C[C@H](c2ccc(OCc3ccccc3)cc2F)Oc2c1ccc1c2CCCC1 587500356 BGFBJSDUQPGPGQ-RUZDIDTESA-N 402.465 5.990 0 1 HKAF O=C1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Cl)cc(Cl)c2O1 587503129 XARMIMBMTJJMKN-NRFANRHFSA-N 403.261 5.042 0 1 HKAF CC(C)c1nn(-c2ccccc2)c(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587503910 ZXARWLTWKIYTJF-NRFANRHFSA-N 420.940 6.234 0 1 HKAF CCc1oc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1C(C)=O 587531892 IPLPEKWGEIZFJY-SANMLTNESA-N 402.490 5.957 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(Cl)c1Cl 587554753 JCTYALDUPIXLQA-YWZLYKJASA-N 405.208 5.541 0 1 HKAF CCCc1ccc(OCC)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587594379 HCPREMOVUGYQRQ-RDGATRHJSA-N 404.462 5.446 0 1 HKAF Cc1cc(Cl)cc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)[nH]c12 587623491 IIMBVXMMJOTCEL-UHFFFAOYSA-N 421.154 8.424 0 1 HKAF CCC[C@H](CC1(c2nc3cc(OC)ncc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587780940 AAJAUSKUHUHDPW-LJQANCHMSA-N 421.541 5.328 0 1 HKAF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(C)C 587795821 RVWWDTBYEMZASA-YEJXKQKISA-N 422.338 5.255 0 1 HKAF CCC[C@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 587807410 XBOXOSNZGSHVGS-ASSNKEHSSA-N 401.323 5.647 0 1 HKAF Cc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587815426 MRPZWRPTTDJCCV-OSPHWJPCSA-N 424.357 6.031 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cc3ccccc3)cc2)N1 587815859 QSOIJVVNAMXGIP-FYSMJZIKSA-N 424.357 5.977 0 1 HKAF Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)sc2ccccc12 587853138 KYHUUMJBRXXJMW-BIBXISHDSA-N 404.348 5.909 0 1 HKAF Cc1c(F)ccc2c1[C@](c1ccc(F)cc1)(c1ccc(Br)cc1)NCC2 962296990 HWOFVRQQNWYMCR-JOCHJYFZSA-N 414.293 5.473 0 1 HKAF COc1ccc2c(c1OC)[C@H](c1ccc(-c3cc(C)cc(C)c3)cc1)N(C)[C@H](C)C2 962628158 OJRDOOCNZYQFFS-BCHFMIIMSA-N 401.550 5.953 0 1 HKAF c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@@H]3c3c[nH]nc3C3CCCCC3)C2)cc1 962645151 SDGSDDMVYIBSGP-WNCULLNHSA-N 412.581 5.294 0 1 HKAF CCc1ccc([C@@]2(CCCCC(=O)O)NCCc3cc(-c4ccccc4)ccc32)cc1 962661806 KPOWPSBBVQWXRV-MUUNZHRXSA-N 413.561 5.950 0 1 HKAF Cc1sc2c(c1C)CCN[C@@]2(C)Cc1cc2c(c(OCc3ccccc3)c1)OCO2 963016740 BXMUQQLQFXFNJS-VWLOTQADSA-N 421.562 5.276 0 1 HKAF C[C@@]1(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(F)cc2C[C@H]2CCCN21 963099479 HKVUZVALWDAVGY-WIYYLYMNSA-N 406.423 5.109 0 1 HKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccc(C)cc1)c1ccc(Cl)c(Cl)c1 963244602 WSJPTBUGXCYUQM-NIYFSFCBSA-N 424.415 7.250 0 1 HKAF O=C1[C@@H]2C=CC=C[C@@H]2[C@@H](c2ccc(-c3ccccc3)cc2)N1c1ccc2nc[nH]c2c1 1772592519 VILUZFCZUPTEBL-PPJWLVRDSA-N 403.485 5.676 0 1 HKAF CC=C(C)c1cc(O)c(C)c2c1C(=O)Oc1c(C)c(O)c(C(=O)O)c(C(C)=CC)c1O2 2356349264 AQEVIPMAHKXMTE-UHFFFAOYSA-N 424.449 5.584 0 1 HKAF C=CC(C)=CC[C@]1(C)[C@H](C)CC[C@]23C(=CCC[C@@H]21)[C@@H](OC(C)=O)O[C@H]3OC(C)=O 2356684712 VETHZFSKKYINKU-OXAARKQPSA-N 402.531 5.076 0 1 HKAF COc1cc2oc(=O)cc(CN(Cc3ccccc3)Cc3ccccc3)c2cc1Cl 72104322 ZSYZYOBRHNPZOZ-UHFFFAOYSA-N 419.908 5.657 0 3 HKAF COc1ccc(-c2noc(-c3c(F)cccc3Cl)c2C(=O)NCCC(C)C)cc1 776925 VXEQSDZOLYXAGX-UHFFFAOYSA-N 416.880 5.586 0 1 HKAF O[C@H](c1cc2ccccc2[nH]1)C(O)(c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1 1630789 LXZAFHVQFKVVEB-RUZDIDTESA-N 407.473 5.100 0 1 HKAF Clc1cccc(N2CCN(C3=Nc4cccnc4Nc4ccc(Cl)cc43)CC2)c1 13492072 XLBAJBOGLLSRLX-UHFFFAOYSA-N 424.335 5.346 0 1 HKAF c1ccc(Cn2c3ccccc3c3ccc(OCCO[C@H]4CCCCO4)cc32)cc1 27309511 PYHJJGFJZZNYFQ-SANMLTNESA-N 401.506 5.765 0 1 HKAF Clc1ccc(Nc2nc(NCCN3CCCC3)c3ccccc3n2)cc1Cl 28771065 JMTNYFBCWMVHII-UHFFFAOYSA-N 402.329 5.188 0 1 HKAF COc1ccc([C@H]2C[C@@H]2C(=O)O)cc1-c1cc2c(cc1C)C(C)(C)CC(=O)N2C(C)C 28952274 BMAVXZVUHVOIPQ-QUCCMNQESA-N 421.537 5.281 0 1 HKAF COc1ccccc1SCC(CN[C@@H]1COc2ccccc2SC1)=C(C)C 40379178 LXPMALJDQSTLKJ-GOSISDBHSA-N 401.597 5.267 0 1 HKAF CCCc1nccn1C[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 45369537 AQTJRCXTFQZPAD-CQSZACIVSA-N 417.353 5.155 0 1 HKAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2cccc(C)c2)C1 82145675 OATQFTOAGDZMEU-WOJBJXKFSA-N 420.601 5.847 0 1 HKAF O[C@H](CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)C[C@@H](O)c1ccccc1 95784761 GFOVXYXDEXXDMF-FCHUYYIVSA-N 417.530 5.585 0 1 HKAF Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)C[C@@H]1COCC[C@H]1N1CCCC1 96170639 KIEUEUXRWPSMDL-CZUORRHYSA-N 423.397 5.106 0 1 HKAF CC1=C(CC[C@](C)(O)/C=C/C/C(C)=C/CCC2=CC(=O)O[C@@H]2O)C(C)(C)CCC1 96921459 GSUNQYAOGZKXEY-ULDXMYTKSA-N 402.575 5.519 0 1 HKAF CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1cccc(OC)c1 100704967 ZHXTYFLWVPKBSF-MRXNPFEDSA-N 411.527 5.153 0 1 HKAF CCCCCn1cc(C(=O)NC23CC4C[C@](C)(C2)C[C@](C)(C4)C3)c(=O)c2ccccc21 101074436 GXVOMEXKBUSDHO-HUUIJVNJSA-N 420.597 5.671 0 1 HKAF COc1c2c(cc3c1C[C@H](c1ccc(O)c(CC=C(C)C)c1O)CO3)OC(C)(C)C=C2 103241691 AUNWVTOCYQITLL-INIZCTEOSA-N 422.521 5.518 0 1 HKAF Cc1ccc(-c2nc(Nc3ccc(C(=O)Nc4c(C)cccc4C)cc3)ncc2C)cc1 103243235 YHGOSNBYHDITLV-UHFFFAOYSA-N 422.532 6.373 0 1 HKAF C/C(=C\c1c[nH]c2cc(Br)ccc12)C(=O)Nc1ccc(C(C)(C)C)cc1 103271148 SOWCDVGEISRDLZ-SDNWHVSQSA-N 411.343 6.270 0 1 HKAF CC1(C)CC2=Nc3cc(C(=O)c4ccccc4)ccc3N[C@H](c3ccco3)C2=C(O)C1 103912692 LUOWJWWAELBNFE-XMMPIXPASA-N 412.489 6.382 0 1 HKAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3ccc(-c4ccccc4)cc3CC[C@@H]21 117623443 AYDIVSRNJATBLH-BVAGGSTKSA-N 407.517 5.565 0 1 HKAF CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(-c3ccc(-c4ccccc4)n3C)cc1)N2 169327352 LXPFIHFWVCMHFG-LNEBKTTKSA-N 414.549 5.146 0 1 HKAF O=C1CCC[C@H](c2ccccc2-c2ccccc2)N1Cc1cccc(-c2ccccc2)c1 215902445 FQRZZXXWKKMRLD-GDLZYMKVSA-N 417.552 7.274 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CCC5=C(CCC(=O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 238761079 FEWFHPXLWBWTJY-SJQTYIEFSA-N 424.713 8.521 0 1 HKAF CC(=O)OC[C@@H]1[C@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccccc2)cc1)C3 253851793 KUMJBZOBGCDDHP-SHYSTRNQSA-N 401.550 5.421 0 1 HKAF C[C@H]1CC[C@@]2(C[C@@H]3[C@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)O2)OC1 255252269 OEWYCDKCYLIWJV-MRJMAOBKSA-N 402.619 5.548 0 1 HKAF COc1cc(C(=O)c2c(-c3ccccc3)[nH]c3c(F)cccc23)cc(OC)c1OC 473105935 UPHSVGLJFSXZBA-UHFFFAOYSA-N 405.425 5.231 0 1 HKAF CCCCc1cc(=O)oc2cc(OCc3nc4c(F)c(F)c(F)c(F)c4[nH]3)ccc12 586918867 RPKLPEKIACOQEQ-UHFFFAOYSA-N 420.362 5.147 0 1 HKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(Br)ccc1C3 586986778 UVPGLGQQWFSXSX-UHFFFAOYSA-N 414.258 5.486 0 1 HKAF CCOC(=O)[C@@H](F)[C@H]1CCCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 586996132 PQTYFFBMNGJLNG-AOMKIAJQSA-N 403.453 5.076 0 1 HKAF CC(C)(Oc1ccc(Br)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 586996712 TVWGAJHKSIKOLZ-UHFFFAOYSA-N 400.103 5.946 0 1 HKAF Cc1nc(COc2cccc(-c3nc4cccc(Br)c4[nH]3)c2)cs1 587020818 YNXFMKRIPKSPDI-UHFFFAOYSA-N 400.301 5.336 0 1 HKAF Fc1c(Br)cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1F 587051850 UKTFPZIKEPBBET-RQJHMYQMSA-N 418.068 6.182 0 1 HKAF C/C=C/C[C@@H]1c2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C[C@@H]1CC(=O)OC 587098262 QBHJPLXWSXRFOO-FDRQBBGKSA-N 411.501 5.540 0 1 HKAF Cc1ccc(C)c(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)c1 587101531 URRAHIHANGLGRR-UHFFFAOYSA-N 407.469 5.666 0 1 HKAF Cc1nc2ccccc2c(C(=O)O)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106763 MWVSHJZQVDXSSF-UHFFFAOYSA-N 416.436 5.668 0 1 HKAF COc1c(F)cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1F 587135272 XSHUHAPGCQSXTE-UHFFFAOYSA-N 407.136 5.298 0 1 HKAF Cc1cc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2cc1Br 587203839 OREDTUJMNDUHPB-UHFFFAOYSA-N 410.356 5.215 0 1 HKAF CCOC(=O)c1ccc2nc(-c3cccc(N)c3Nc3cc(C)cc(C)c3)[nH]c2c1 587241206 QQVJIGJQQXWFOE-UHFFFAOYSA-N 400.482 5.349 0 1 HKAF Cc1ccc(C)c2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349924 HBNNXJDNRHZTPW-AHWVRZQESA-N 402.465 5.739 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C(=O)C(F)(F)F)CC3)c1 587359596 HKZRJBFYDCACBY-INIZCTEOSA-N 411.379 5.818 0 1 HKAF O=C1c2ccc(O)cc2O[C@@](c2cccs2)(C2CCCC2)[C@H]1c1ccc(F)cc1 587378895 WTNIPJRJRGGYJT-LADGPHEKSA-N 408.494 6.037 0 1 HKAF CSc1cccc([C@@]2(c3ccc(F)c(F)c3)CC(=O)c3cc(C)cc(N)c3O2)c1 587384688 HZYOZHZWKOZWOO-HSZRJFAPSA-N 411.473 5.486 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccc(C)cc3Cl)cc1)CC2=O 587461045 JEOBQNBRKWBCCI-AREMUKBSSA-N 420.936 6.854 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3ccccc3c1OC(F)F)CC2=O 587468405 XCHBEORUMTVQJC-DEOSSOPVSA-N 412.432 5.980 0 1 HKAF C=CN1CCCC[C@@H]([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587514367 NXDIWRKWNGJWAL-KCWPFWIISA-N 415.533 5.198 0 1 HKAF Cc1ccc(CN2C(=O)[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc32)cc1 587518712 NXFCUWHODCOBEX-MUUNZHRXSA-N 423.512 5.281 0 1 HKAF CC(C)c1nn(C(C)(C)C)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582068 NPEOJDNAGZRQGV-WMZHIEFXSA-N 406.482 5.170 0 1 HKAF CC(C)n1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 587753939 CDIMUDWWILLXGF-BLVKFPJESA-N 402.311 5.142 0 1 HKAF Cc1cc(C)cc(N2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)c1 587768197 LHCSHFGCGAMKRI-MRXNPFEDSA-N 417.366 5.235 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccncc3)cc2)N1 587777767 JNCREGLBJNTXGF-RCDICMHDSA-N 411.318 5.448 0 1 HKAF CCCOc1c(C)cc(C)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587791395 IBDIVRCYKKTFPD-XOBRGWDASA-N 406.339 5.617 0 1 HKAF CCOc1ccc(C(C)C)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587802639 STTZRRVZQWXUBN-ASSNKEHSSA-N 406.339 5.734 0 1 HKAF COc1cc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)C 587804893 DAJCMAZWWHQSTH-LRTDBIEQSA-N 406.339 5.652 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccccc2)N1 587811713 OMDQWVVAWVMBAB-JLCFBVMHSA-N 412.302 6.004 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(C(C)(C)C)N1 587815143 YXVRNSFSTFVBKE-QRQCRPRQSA-N 404.367 5.997 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]2C(=O)c2ccccc2)N1 587824116 UOLRCDOCJIHRAL-NZCGUCNHSA-N 402.307 5.001 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3cccs3)n2)N1 587852666 MQNULCGZRBQAAN-WLRWDXFRSA-N 403.320 5.335 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(Br)nc1 587854728 FPKVMEDDMBVYJI-UHFFFAOYSA-N 413.102 5.402 0 1 HKAF Oc1cc(-c2c(Cl)cccc2Cl)c(O)n1-c1ccnc(Br)c1 587941410 UXEHPWLRHHJUIY-UHFFFAOYSA-N 400.059 5.020 0 1 HKAF COC(=O)c1cc2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2cc1OC 587950009 OJYAJKPUVSECJG-SEYXRHQNSA-N 400.434 5.321 0 1 HKAF Cc1nc(N[C@@H](C)c2cccc(-c3cc[nH]n3)c2)cc(-c2ccc3ncsc3c2)n1 653671210 DLQTVGWZCGIELL-AWEZNQCLSA-N 412.522 5.625 0 1 HKAF CCC(=O)Nc1cc(Nc2cccc(NC(=O)c3cccc(C4CC4)c3)c2)ccn1 653853286 KJUNKADRFBSOFC-UHFFFAOYSA-N 400.482 5.303 0 1 HKAF Cc1ccc(C[C@]2(C(F)(F)F)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962701309 KBUCARHLAFGWJS-DYESRHJHSA-N 409.492 5.498 0 1 HKAF Cc1cccc([C@@]2(C(C)(C)C)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c1 962708432 ZAYKHTSOQSDEGE-GHTZIAJQSA-N 409.423 5.042 0 1 HKAF FC(F)(F)c1cccc2c1[C@@]1(CCCc3cccc(Cl)c31)NCC21CCOCC1 962948563 AOTGIUWDEDVCRE-QFIPXVFZSA-N 421.890 5.590 0 1 HKAF CCCc1[nH]nc2c1[C@@H](c1ccc(Cl)cc1)c1c(nc3c(c1N)CCCCC3)O2 1772603535 SZVMTJHSBMKBJJ-GOSISDBHSA-N 408.933 5.548 0 1 HKAF CN(c1ccc(Cl)cc1Cl)c1nc(C(Cl)(Cl)Cl)nc2ccccc12 1772624331 MUQKSXNWMIJAJX-UHFFFAOYSA-N 421.542 6.531 0 1 HKAF CCCCCCSc1cc(NC(C)=O)ccc1N(CC1CCCCC1)C(C)=O 1772656191 IGOJEVIUSKNNLW-UHFFFAOYSA-N 404.620 6.251 0 1 HKAF CC(C)=CCc1cc([C@@H]2CC(=O)c3ccc(O)cc3O2)c2c(c1O)OC(C)(C)CC2 1857599295 UWAWVAHPYGNHGG-QFIPXVFZSA-N 408.494 5.417 0 1 HKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356487855 OQMZNAMGEHIHNN-IEEDTWBUSA-N 410.686 7.721 0 1 HKAF CN(Cc1ccc(Cl)cc1)[C@@H](c1cc2ccccc2o1)c1nnnn1C(C)(C)C 95566822 NABSSTFZSHSQOE-FQEVSTJZSA-N 409.921 5.049 0 3 HKAF O=C(NCc1ccccc1)c1c(-c2ccccc2F)noc1-c1c(F)cccc1Cl 2485105 XIZWUBLJLFODPG-UHFFFAOYSA-N 424.834 5.870 0 1 HKAF CCSc1sc(CC)cc1[C@@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)OC 6381163 XBPTZGSYYHETJB-SFHVURJKSA-N 419.612 6.040 0 1 HKAF CCC[C@@H](C)n1c(CC)nc2c(-c3ccc(OC(F)(F)F)cc3Cl)nccc21 13479634 HHZUBQOBTSGLCZ-GFCCVEGCSA-N 411.855 6.574 0 1 HKAF CC(C)=CCC/C(=C/CC/C(C)=C/CC[C@@]1(C)C=Cc2cc(O)cc(C)c2O1)C(=O)O 14691443 QKXAGRZCXAYBQX-UATDQJHISA-N 424.581 7.129 0 1 HKAF biogenic,in-vitro C[C@@H](O)CCCCCCCCCCCCCCCCCCCCC[C@@H](O)CCO 15273942 UHNHNACCNLEBON-CLJLJLNGSA-N 414.715 7.303 0 1 HKAF biogenic Clc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1c[nH]c3ccc(Br)cc13)N2 28759391 JQPJVWFRZFPTHV-NXXSPTCGSA-N 403.707 5.828 0 1 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](NCc1ccoc1)c1ccccc1 29484992 VACSHNQLULEGPN-XMMPIXPASA-N 419.569 6.179 0 1 HKAF Cc1cccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccccc3)CC2)c1 29559761 UCLPCCNMPZDDCJ-UHFFFAOYSA-N 424.592 5.512 0 1 HKAF Fc1cccc(CNC2=N[C@@H](c3ccccc3Cl)[C@@H](c3ccccc3Cl)N2)c1 42964046 VNMRGOGENWEFMP-OYRHEFFESA-N 414.311 5.664 0 1 HKAF COc1ccc(C(=O)[C@H]2C[C@H]2CN2CC=C(c3c(C)[nH]c4ccccc34)CC2)cc1 45229062 ZIBUAIDTTBQCKB-REWPJTCUSA-N 400.522 5.093 0 1 HKAF Cc1ccc([C@H](CCN(C)C)NC(=O)c2cccc(-c3ccc(Cl)cc3)c2)cc1 45283581 LVSUEMWSTVOYOI-DEOSSOPVSA-N 406.957 5.738 0 1 HKAF CCCc1cccc(OCC(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1 45372382 FQHZWHOIEUBVPY-UHFFFAOYSA-N 420.896 6.118 0 1 HKAF Cc1ccc2c(Cc3nn4c(C=O)c(-c5ccc(Cl)cc5)nc4s3)coc2c1 45495993 ORADVJHYRPNFFH-UHFFFAOYSA-N 407.882 5.569 0 1 HKAF O=C(c1cc(Cl)cc(Cl)c1)N1CC[C@@H]2C[C@H]1c1cc(N3CCCCC3)ccc12 61924191 HIOAILCNYOLLTD-QRQCRPRQSA-N 415.364 6.058 0 1 HKAF Brc1ccc([C@@]2(Cc3cccnc3)c3ccccc3-c3nccn32)cc1 72112770 YUWLXYWIQFMMGU-QFIPXVFZSA-N 402.295 5.056 0 1 HKAF c1ccc(COc2ccc(-c3nnc4ccc(-c5c[nH]c6ccccc56)nn34)cc2)cc1 82060518 NDCHOADNRSPJEU-UHFFFAOYSA-N 417.472 5.519 0 1 HKAF Cc1cccc(-c2csc(N[C@@H](CC(C)C)C(=O)NCc3ccc(F)cc3)n2)c1 82195291 OBUXVVJIKVYOCP-FQEVSTJZSA-N 411.546 5.401 0 1 HKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2cccc(C(F)(F)F)c2)cc1O 84669949 AYXUGNAPZHLRMC-TWCSMJBVSA-N 416.483 7.522 0 1 HKAF CCCc1sc(NC(=O)c2snnc2C)nc1-c1ccc(Cl)cc1Cl 103219888 VYMWSTJWKXWWNV-UHFFFAOYSA-N 413.355 5.482 0 1 HKAF FC(F)Oc1ccc(-c2nnc3cncc(Oc4ccc5ccccc5c4)n23)cc1 103303145 OICXVTBHLZSJIW-UHFFFAOYSA-N 404.376 5.338 0 1 HKAF CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(Cl)c2)C2=C(O)CCCC2=N1 103522890 XJTZTKMJAUEMER-QFIPXVFZSA-N 407.897 5.892 0 1 HKAF CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(O)=C2[C@@H]1c1ccco1 104048818 FZYZAUVLVXQPJH-SIBVEZHUSA-N 412.489 6.158 0 1 HKAF Fc1ccc(CC(c2cccnc2)c2cccnc2)c(-c2cccc(C(F)(F)F)c2)c1 117923193 UFSPOROCAWGVQP-UHFFFAOYSA-N 422.425 6.676 0 1 HKAF CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=C[C@@H]3O 137579345 KEMRDWDNECVERP-STUUFNRQSA-N 400.647 6.136 0 1 HKAF C[C@@]1(c2cc(Nc3cc(Cl)cc4cc(Cl)cnc34)ccc2F)COCC(N)=N1 143090032 LBDVFEXBWOROJV-FQEVSTJZSA-N 419.287 5.027 0 1 HKAF Cc1ccc(-c2cc(C(=O)Nc3ccc(-n4cccn4)cc3)c3ccccc3n2)cc1C 169303732 XQPWEUWGQLRDSO-UHFFFAOYSA-N 418.500 5.957 0 1 HKAF CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(F)c2)c2c(nc3c(c2N)CC(C)(C)CC3)N1 218324156 UYAZZCUMASYCFB-HXUWFJFHSA-N 423.532 5.101 0 1 HKAF CC[C@H](/C=C\[C@@H](C)[C@H]1CC2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1)C(C)C 255222333 KCJIRIALUVVFBL-YEAMCPHYSA-N 412.702 7.945 0 1 HKAF C[C@@H]1CO[C@]2(C[C@@H]3[C@@H](C[C@H]4[C@@H]5CC[C@@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@]34C)O2)[C@@H](C)C1 255262206 REGABMXOVFDEIY-MFEXBOQXSA-N 416.646 5.794 0 1 HKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)NC(CO)CO 299818706 AKAIJDUCCAGBDD-JLNKQSITSA-N 403.607 5.158 0 1 HKAF CC(C)N(CCOc1ccc([C@H](c2cccs2)c2ccccc2F)cc1)C(C)C 299867150 XLMZZEJRSLHSRD-VWLOTQADSA-N 411.586 6.565 0 1 HKAF Oc1c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)ccc2c1CCCC2 586898614 QHRHILGUNNDCRM-UHFFFAOYSA-N 411.221 5.596 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc4ncccc4c3[nH]2)C[C@H]2CCCC[C@H]21 587025991 JNHVTWRAIUURAU-HBGVWJBISA-N 416.550 5.248 0 1 HKAF Cc1c(Br)cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1C 587048901 CFNHYPMABCBPKI-UHFFFAOYSA-N 400.707 6.053 0 1 HKAF Cc1cccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 587075851 KPCXPWXMXLGWGX-SDXDJHTJSA-N 421.931 7.227 0 1 HKAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(CC)cc4[nH]3)c(Cl)cc12 587078432 QOTDXSHMPDKKIO-ZDUSSCGKSA-N 410.901 5.978 0 1 HKAF CC(C)(C)OC(=O)NC[C@@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587104288 PQWDHAXREISTLG-HNNXBMFYSA-N 414.505 5.391 0 1 HKAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(Cl)cc2[nH]1 587122035 IWZXOZROLXPJMO-UHFFFAOYSA-N 409.820 6.214 0 1 HKAF COc1ccc(C(=O)c2ccccc2-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1F 587144031 HLQIPFBLCMDEIK-UHFFFAOYSA-N 415.251 5.915 0 1 HKAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587201375 LIDJOCIHIWJTPU-UHFFFAOYSA-N 403.420 5.302 0 1 HKAF COc1cc(O)c(OC)c(O)c1-c1nc2cccc3c2c(c1Cc1ccccc1)CC3 587215032 ZASLNXDHBUGIJL-UHFFFAOYSA-N 413.473 5.020 0 1 HKAF Cc1ccc(NC2(c3nc4cc(Br)c(F)c(F)c4[nH]3)CCCC2)cc1 587237182 MDXBEUWDTVKEDT-UHFFFAOYSA-N 406.274 5.793 0 1 HKAF Cc1ccc(NC2(c3nc4cccc(I)c4[nH]3)CCCC2)cc1 587237475 RETCJRQOSFAAQB-UHFFFAOYSA-N 417.294 5.357 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(C2CC2)[C@H]1c1ccc(F)cc1 587333581 SYHWGFVKYBYNBB-UPVQGACJSA-N 408.856 5.849 0 1 HKAF C[C@@]1(Cc2ccc(F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336210 PRAMKGZSTGBZRJ-GMAHTHKFSA-N 414.835 5.684 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1Oc1ccc(C(C)(C)C)cc1)O2 587403241 LHOJDTJVXJEXSW-XMMPIXPASA-N 401.506 6.374 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccccc1-c1ccccc1C(F)(F)F)[C@@H](C2)C3=O 587421188 ODCWUZNDALFOMK-FDDCHVKYSA-N 410.391 5.870 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1OCC)CC2=O 587456856 BUHOVVPREFKGPE-IBGZPJMESA-N 405.288 5.212 0 1 HKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cccc(Cl)c21 587461859 NRKUEAFUOUKDHP-RUZDIDTESA-N 418.876 5.452 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cc(OC)c1OC(C)C)CC2=O 587462604 PHNVACPCYJNNHD-LJQANCHMSA-N 404.890 5.500 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(F)(F)F)c(Cl)c1)CC2=O 587464915 ZAQGPPOXRWRXCJ-KRWDZBQOSA-N 400.780 5.603 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C(C)(C)C)[nH]c3c(C)ccc(F)c13)CC2=O 587472436 QLRKZYLRWCLRCS-LJQANCHMSA-N 409.501 6.278 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3nc(C(C)(C)C)cs3)cc1)CC2=O 587496299 VRGJVBMHCNBUFC-OAQYLSRUSA-N 421.562 6.472 0 1 HKAF C[C@]1(Cc2ccc(F)cc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587500897 DWVVJPBBFGXQSP-NRFANRHFSA-N 403.291 5.434 0 1 HKAF COc1ccc([C@@]2(Cc3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587505431 IQIGPIFQMVTBQU-HHHXNRCGSA-N 416.492 5.817 0 1 HKAF CC(C)(C)OC(=O)N1CC2(CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)C1 587518370 GVWAIIHSUVRUOV-UHFFFAOYSA-N 411.542 5.081 0 1 HKAF O=C1C[C@H](c2c(-c3ccco3)oc3ccc(O)cc23)Oc2c1ccc1c2CCCC1 587534051 VDTFWSZLKHVXMM-JOCHJYFZSA-N 400.430 5.984 0 1 HKAF Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1C(F)(F)F 587548653 OIFWPGRKXPHRDH-KNQAVFIVSA-N 414.379 5.596 0 1 HKAF CCCCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F 587559617 YAEWTWYBUTVBBS-URXFXBBRSA-N 408.425 5.413 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2O)cc1 587610097 PNXNNWFUOZTUSF-JYFHCDHNSA-N 410.425 5.468 0 1 HKAF C[C@]1([C@@H]2C[C@H]2c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612197 KXKISETYBGHVQQ-OGMTXWBYSA-N 412.894 5.631 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(Br)c3)c([C@@H](C)C(=O)O)c2c1 587639524 YUXJMXPSGVIBJH-CHWSQXEVSA-N 400.316 6.299 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cccc(Cl)c2)N1 587694862 AQRYIGQPFTYXEJ-ODXCJYRJSA-N 419.725 5.656 0 1 HKAF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C(F)(F)F)c1 587711801 MISZMXJKZWKOLM-XYZCENFISA-N 418.228 5.239 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CSC(F)F)o2)N1 587719903 RPLPCBANERRKNV-AYVTZFPOSA-N 406.267 5.261 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3)c(F)c2)N1 587724457 ICUSDOBJPBDADJ-MCMMXHMISA-N 414.293 6.018 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(-c4ccccc4)cc32)N1 587817631 MRTRQQFHNZCIIE-OYLFLEFRSA-N 422.341 5.979 0 1 HKAF Cc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)o1 587832161 YWPRRUWHJSLYBJ-GTJPDFRWSA-N 400.291 5.780 0 1 HKAF Cc1cc2c(cc1C)[C@]1(CCCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587836668 XDCGPICKYJQCFI-QKKBWIMNSA-N 404.323 5.155 0 1 HKAF Cc1ccc(C(C)C)c2c1[C@]1(CCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587836713 XNEPTSNBBKDFNC-PEBXRYMYSA-N 418.350 5.580 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2nccs2)N1 587853456 NFUYAMVZKPABSW-VOJFVSQTSA-N 403.320 5.335 0 1 HKAF COc1ccccc1OCc1cccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587873458 FUWCBELTFMVVOG-UHFFFAOYSA-N 416.408 5.071 0 1 HKAF CCOc1ccc(OCC)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 587942476 ZMMWIDLPISCDFN-UHFFFAOYSA-N 403.520 6.542 0 1 HKAF C(=C/c1ccccc1Oc1ccccc1)\c1nc2ccc(CN3CCOCC3)cc2[nH]1 587951103 WKNSLHCONQDZAS-ACCUITESSA-N 411.505 5.358 0 1 HKAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2ccccc2-c2ccsc2)N1 962706300 XDUPILVLSVZYDG-MOPGFXCFSA-N 421.415 5.261 0 1 HKAF Cc1ccc(-c2ccc([C@]3(C)N[C@H](C(=O)O)Cc4cc(C)c(O)cc43)cc2)c(Cl)c1 963506819 GDXDAXZZUMDCAT-DHLKQENFSA-N 421.924 5.192 0 1 HKAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 1772577204 ORPDGDBKUOHGBE-AAOBSTQFSA-N 401.723 7.696 0 1 HKAF c1ccc(-c2ccc(CNCCCCNCc3ccc(-c4ccccn4)cc3)cc2)nc1 1857545816 PGMDUYZPXLJWCA-UHFFFAOYSA-N 422.576 5.470 0 1 HKAF CC[C@H](C)OC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 1857642881 XRDLAFPSGZQPAG-AWEZNQCLSA-N 413.901 5.184 0 1 HKAF Cc1noc(C)c1-c1cc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)ccc1Cl 1857757740 GMZSIRJODUWYTE-HNNXBMFYSA-N 413.857 5.142 0 1 HKAF CCCCCc1ccc(-c2cn(Cc3cc(-c4ccc(OC)cc4)no3)nn2)cc1 1857768578 RRVJPKDKFPQLDW-UHFFFAOYSA-N 402.498 5.390 0 1 HKAF COc1ccc(OC[C@@H]2c3sccc3CCN2C(=O)c2ccc(Cl)s2)cc1 1911573502 IMUSHFSLCJRRCP-MRXNPFEDSA-N 419.955 5.290 0 1 HKAF CC(=CCc1cc(O)c(C)c(C)c1O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 2356389376 SUFZKUBNOVDJRR-YADHBBJMSA-N 416.690 8.643 0 1 HKAF C[C@@H]1CCC([C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)=NC1 2356483593 QAGPPGDCPAPQLW-KWTMFEJMSA-N 413.646 5.692 0 1 HKAF CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC(C)=O)CC[C@@]45C[C@]35CC[C@]12C 2356491454 IXKWMHYTPDVHMP-SIQIEJPVSA-N 414.678 5.538 0 1 HKAF CC1=C(C(C)C)[C@H]1C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356512299 XMKPXGGZJIEBEJ-XQUBLRMDSA-N 412.702 7.635 0 1 HKAF CC(=CC=CC[C@@H](C)C(Cl)(Cl)Cl)C(=O)N[C@@H](c1nccs1)C(C)C 2356610018 SASMNYHOQIJNIJ-ZIAGYGMSSA-N 409.810 5.855 0 1 HKAF C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3C4=CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2C 2356650991 YRYHWWSPSYOEEL-ZPPUMMMYSA-N 412.614 5.634 0 1 HKAF C[C@H](C=C[C@@H](C)C(C)(C)O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356790447 FOZVAIZOTQTSCI-LSTIAPGGSA-N 414.674 6.526 0 1 HKAF COc1cccc(-c2ccc3c(c2)N(Cc2ccccc2OC)C(=O)[C@@H](C)S3)c1 61897633 SHEFICRUXFSVSU-MRXNPFEDSA-N 405.519 5.398 0 3 HKAF O=C(O)CC1(Cc2nc3cc(F)ccc3n2Cc2ccc(Cl)cc2)CCCC1 586822 JHIOTIRMOCOMNO-UHFFFAOYSA-N 400.881 5.455 0 1 HKAF COc1ccc2[nH]cc(CCNc3nc(-c4ccccc4OC)nc4ccccc34)c2c1 4265693 UOWVXCMQXJHTQV-UHFFFAOYSA-N 424.504 5.450 0 1 HKAF COc1cc2c(c(OC)c1-c1c(C)cc(O)c3c(OC)cccc13)[C@@H](C)N[C@@H](C)C2 13359065 YTAPXHUNYHTRNM-LSDHHAIUSA-N 407.510 5.142 0 1 HKAF biogenic CCOc1c(Cl)cc(Cl)cc1CNCCCNc1cc(O)c2ccccc2n1 13487763 DAGHEUBRDHWQIF-UHFFFAOYSA-N 420.340 5.238 0 1 HKAF C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)n1ccc2ccccc21 26970155 ZKJLGJLBCWOCRC-RLQZCOSVSA-N 416.565 5.195 0 1 HKAF O=C(O)CCC/C=C\C[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1/C=C/[C@@H](O)CCc1ccc(Cl)cc1 27556553 OWLWEPFVFFUXLA-DGGILABISA-N 414.973 5.829 0 1 HKAF COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cccc2ccccc12)C(F)(F)F 28862449 YTDDWWZHOSEAOO-HSZRJFAPSA-N 420.446 6.191 0 1 HKAF CCCCc1ccc(-c2ccc3c4c([nH]c3c2)-c2cc(O)c(C(=O)O)cc2CC4)cc1 34893865 GKYMXBODVBKZEI-UHFFFAOYSA-N 411.501 6.347 0 1 HKAF CCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1c(F)cccc1OC 36474431 IMEMVULHPAWSME-UHFFFAOYSA-N 415.940 5.750 0 1 HKAF CC(C)[C@H](O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 40165395 ZNCHPOYZMVVJCK-XSMVKVBQSA-N 418.662 5.330 0 1 HKAF endogenous,in-man C[C@H]1CC[C@@]23C[C@]2(C)CCC[C@@H]3[C@@]1(C)CC[C@@]1(C)CCn2cnc3ncnc(c32)N1O 42891931 NTHYPLUAMLERLA-NDQMXJKWSA-N 423.605 5.597 0 1 HKAF CC(C)CC[C@H](O)[C@](C)(O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 43119486 MPYAIDWTDSTPEU-OJGSSGNOSA-N 420.678 5.554 0 1 HKAF Cc1cccc2[nH]c(-c3ccc(-c4cccc(CN5C[C@H](C)O[C@H](C)C5)c4)s3)nc12 45335046 AUOLLLFAOWZCJF-HDICACEKSA-N 417.578 5.876 0 1 HKAF COC1(c2cccc(CNc3ccccc3OCc3ccccc3)c2)CCOCC1 66074655 BLNOQDIJOUQSBO-UHFFFAOYSA-N 403.522 5.530 0 1 HKAF CCCCCn1c(C[C@H](C)c2ccccc2)nc2c(NCc3cccs3)ncnc21 82178398 DGIIVLLFIGIDSA-SFHVURJKSA-N 419.598 6.036 0 1 HKAF COc1ccc2c(c1)C(=O)c1c-2c(Nc2ccc(OC)c(OC)c2)nc2ccccc12 84738947 XTGPDDSDBAYIEQ-UHFFFAOYSA-N 412.445 5.216 0 1 HKAF CCCCC[C@@H](O)/C=C\CCCC[C@H](CCN)[C@H](CCc1ccccc1)CC(=O)O 85505845 OAKLHQCYJTXQSN-FRFCJJSVSA-N 417.634 5.733 0 1 HKAF biogenic,in-vitro CC(C)CCC[C@H](C)[C@@]1(C)CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 85508546 JNXBUFKGYNEMCS-CYRNYSNBSA-N 416.690 6.750 0 1 HKAF biogenic,in-vitro COc1ccc2c(c1)CCc1ccc(cc1)Oc1cccc(c1)CCc1ccc-2cc1 95562622 AYQMFTRTWDENGR-UHFFFAOYSA-N 406.525 7.038 0 1 HKAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1ncnn1C1CCCC1 95585972 UJDLQDZTVHCHKY-RTBURBONSA-N 415.328 5.376 0 1 HKAF COc1ccc(Cl)cc1-c1ccnc(Nc2ccc(CCN3CCOCC3)cc2)c1 95595967 ITQOLEAFQJRNAT-UHFFFAOYSA-N 423.944 5.029 0 1 HKAF N=C(Nc1cccc(-c2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1 98208983 ACHJMDNIBGAZJH-UHFFFAOYSA-N 402.548 6.352 0 1 HKAF in-vitro CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccsc2)C2=C(O)CC(C)(C)CC2=N1 100632869 LDBZZIDGXREODI-HXUWFJFHSA-N 410.514 5.970 0 1 HKAF CC1(C)CC2=Nc3nc(SCc4ccccc4)nn3[C@@H](c3cccs3)C2=C(O)C1 100704986 AQJOFCIXWXOBAC-IBGZPJMESA-N 422.579 5.940 0 1 HKAF Cc1ccc(C(=O)Nc2cccc(-c3ccc(OC4CCN(C)CC4)cc3)c2)cc1 103242603 IWZQKJDDCYVTRA-UHFFFAOYSA-N 400.522 5.387 0 1 HKAF CCC[C@H](Nc1cncc(-c2ccc(OCCCCN)c(OC)c2)n1)c1ccccc1 136845241 SIBREVUTLLHBFC-NRFANRHFSA-N 420.557 5.223 0 1 HKAF CCOc1ccccc1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 166563930 NWXYDRATJYUPPC-IRXDYDNUSA-N 413.823 5.065 0 1 HKAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc4ccncc4c3)CC[C@@H]12 299823212 DGVXMCMLPGDCSX-NWSKRZCZSA-N 413.561 6.589 0 1 HKAF CN1[C@H]2CC[C@H]1CC(c1ccc3nc(Nc4ccc(C(F)(F)F)cn4)[nH]c3c1)C2 299832096 RMLVXBBPNNPLBS-HOTGVXAUSA-N 401.436 5.061 0 1 HKAF O=c1c2c(oc3ccc(Br)cc13)-c1ccccc1OCCCCCO2 299867051 PSLKODDCGBLKQS-UHFFFAOYSA-N 401.256 5.164 0 1 HKAF Cc1csc(C(=O)NC[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@H]32)c1 473087644 LGDKVNDWIPWKTQ-AYRHNUGRSA-N 409.639 6.620 0 1 HKAF O=C(O)c1cccnc1SCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586967955 HNPCNSRARJEFCD-UHFFFAOYSA-N 418.503 5.225 0 1 HKAF Fc1cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cc1F 586999128 WCERWSUNBXTFQJ-VURMDHGXSA-N 401.210 6.034 0 1 HKAF Clc1c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)ccnc1Br 587005379 GMKJVEPJZCTDHK-UHFFFAOYSA-N 414.690 5.620 0 1 HKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(OC(F)(F)F)ccc4[nH]3)c21 587030789 LHAZVOJTAWBXGQ-LBPRGKRZSA-N 417.456 6.421 0 1 HKAF Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(O)cc5[nH]4)c23)cc1 587038184 MOAODKNNRHVJBY-UHFFFAOYSA-N 404.520 5.541 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccc(Br)nc4[nH]3)c2)c1 587049185 IACOZAVKVRIKMF-UHFFFAOYSA-N 412.674 5.520 0 1 HKAF Cc1ccc(-c2cc(-c3nc4ccc(CCO)cc4[nH]3)c3cccc(Cl)c3n2)o1 587082750 FJNDXKUKCGCSHD-UHFFFAOYSA-N 403.869 5.535 0 1 HKAF Fc1cc(Br)c(Cl)cc1-c1nc2ccc(Br)cc2[nH]1 587136305 GDEGABBQSPRSFV-UHFFFAOYSA-N 404.464 5.547 0 1 HKAF Cc1cc(C)c2[nH]c([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)nc2c1 587141479 QXKSCYAQGXFCPM-GOSISDBHSA-N 423.941 5.038 0 1 HKAF Fc1ccc(-c2ccsc2-c2nc3cc(Sc4ccccc4)ccc3[nH]2)cc1 587165477 WWMGLSHNZDYGHB-UHFFFAOYSA-N 402.519 7.249 0 1 HKAF O=C(Nc1ccccc1)c1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1 587244964 SWYKIMYLKYNROF-UHFFFAOYSA-N 417.468 5.713 0 1 HKAF CC(C)(C)[C@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340248 XLINLELQHZGXQT-WIOPSUGQSA-N 408.444 5.971 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2N2CCCCCC2)[C@@H]1c1ccc(F)cc1 587347908 VRFUPAPRJPMKEH-GSLIJJQTSA-N 423.528 5.448 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ccc1OCc1cccc(F)c1)O2 587385359 SFRVETAWDQJZOM-QFIPXVFZSA-N 411.860 5.655 0 1 HKAF COc1ccc([C@@]2(c3c(C)[nH]c4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)cc1 587395292 APEDDRZFLJVITF-AREMUKBSSA-N 412.489 5.285 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1OCc1ccccc1C)[C@@H](C2)C3=O 587417982 GCXAEHGOIHTJJZ-NBGIEHNGSA-N 420.892 5.725 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc4noc(-c5ccc(Cl)cc5)c4c1)[C@@H](C2)C3=O 587423521 UXQPZKIYYAOMFR-MBSDFSHPSA-N 417.848 5.646 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cc(C(C)(C)C)cc(Br)c1F)[C@@H](C2)C3=O 587424808 VLXLQYJXDGMXKC-XOBRGWDASA-N 419.290 5.383 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Br)cc1Cl)CC2=O 587457269 GGNFAERXUHHYCV-LJQANCHMSA-N 409.707 5.641 0 1 HKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Sc3ccccc3)cc1)CC2=O 587493957 UWYAITYBYXCHLT-VWLOTQADSA-N 404.531 6.377 0 1 HKAF C[C@]1(c2ncc(Cl)cc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587495121 BLSGAKQTHPBMIW-LJQANCHMSA-N 406.707 5.257 0 1 HKAF Cc1ccc(Cn2nc(C)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2Cl)cc1 587497729 GGRYODRNQPJAJD-QFIPXVFZSA-N 420.940 5.787 0 1 HKAF CN(C)/C=C/[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587512846 PUSVOYMFXSEGGM-GDJKVERNSA-N 423.556 6.168 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)c1ccccc1)c1ccccc1 587603137 MUFPFLDAXQZCOI-WNCULLNHSA-N 422.436 5.132 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc(O)c1 587611843 UJXGDIBPUALPNV-BVAGGSTKSA-N 410.425 5.003 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c([C@@H](C)CC(=O)O)c2c1 587639209 PIQVJZPHOMRBAW-KGLIPLIRSA-N 414.343 6.689 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)cc2Cl)N1 587697322 SPWBIIBYIICSEV-XYZCENFISA-N 403.122 5.693 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ccc3cccnc23)N1 587701181 WSHFOIHTEUUOIK-DGIBIBHMSA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2cccc(Cl)c2)N1 587704127 SLHSANJUDLQXHI-INOFHLAMSA-N 423.757 5.095 0 1 HKAF CC[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587711148 GHZUMBVSLJLULR-ZMZPIMSZSA-N 416.256 5.795 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccc(C(F)(F)F)cc2)N1 587716262 UBXMFKKNXKCUON-PMLKMTPKSA-N 414.240 5.896 0 1 HKAF Cc1cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2cc1C 587783655 DLMWXSPRPUQMJJ-UHFFFAOYSA-N 418.540 7.017 0 1 HKAF CC[C@@]1(c2ccc3c(c2)CCCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 587836056 RHWOVFJPYZXHFX-ASSNKEHSSA-N 404.323 5.101 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3cccs3)cc2)N1 587852460 LEURZVGPKZLRNO-ASSNKEHSSA-N 416.359 6.114 0 1 HKAF Cc1nc(C(C)(C)C)sc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587853413 QYFLVHIVGMTFIW-OVWNDWIMSA-N 411.384 5.448 0 1 HKAF COc1ccc2sc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587855817 GXQKVLMFGAXAHH-OVWNDWIMSA-N 406.320 5.435 0 1 HKAF COc1ccc2c(c1)[C@](c1ccccc1Cl)(c1ccccc1OC)N[C@@H]1CC[C@H]21 962992507 GXTGUUKGNXNOHO-MQVPCNEGSA-N 405.925 5.498 0 1 HKAF Cc1ccc(C2=C[C@]3(NCCc4c3sc(C)c4C)c3cc(Cl)c(C)cc3O2)cc1 963004353 CCTYXCGDPHAZTA-VWLOTQADSA-N 421.993 6.458 0 1 HKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccccc1N1CCC(C(=O)OCC)CC1 963238149 HWIAHHMPRMXVPI-RXFWQSSRSA-N 420.597 5.212 0 1 HKAF CC1(C)CC(C)(C)c2cc(NC(=S)Nc3ccccc3C(F)(F)F)ccc2S1 1857609831 MHCGLMWIGJCOGE-UHFFFAOYSA-N 424.557 7.066 0 1 HKAF CC(C)=C1CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]21C 2356844356 NTZCFZIEUJGSQA-RONBNJKWSA-N 424.713 8.377 0 1 HKAF CCCCNc1c(-c2ccc(Sc3ccc(OC)cc3)cc2)nc2cc(C)ccn12 61959573 OQGAUJGLCAOXMM-UHFFFAOYSA-N 417.578 6.682 0 3 HKAF COc1ccc(/C=C/c2c(-c3ccccc3OC)sc3ccccc23)cc1OC 61969031 PXSYSMGCTIPVQQ-WYMLVPIESA-N 402.515 6.765 0 3 HKAF Cc1[nH]c2ccccc2c1[C@H]1Cc2ccccc2N1C(=O)/C(Cl)=C/c1ccccc1 1624780 NFQJXJCBMWOQDW-HVUZKSCUSA-N 412.920 6.387 0 1 HKAF COc1ccc(C(C)(C)C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 22450685 WUTRELIDULYHSO-FPOVZHCZSA-N 406.492 5.118 0 1 HKAF COCc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 27201376 BLNUNXUXZLEOMF-CLJLJLNGSA-N 415.533 5.569 0 1 HKAF Cc1cc(C(=O)c2c(N)sc3c2CCN(Cc2ccccc2)C3)cc2ccccc12 27891537 ROYYUBWLPDFKSD-UHFFFAOYSA-N 412.558 5.581 0 1 HKAF CC[C@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4ccccc4C)oc3C)ccc21 28565232 KCTSMXXWKQWOHK-NZQKXSOJSA-N 419.521 5.721 0 1 HKAF COc1ccc2cccc(C[C@@H](C)NC(=O)c3ccc(OC(F)(F)F)cc3)c2c1 29040743 PUPLVWCDZZBSKT-CQSZACIVSA-N 403.400 5.108 0 1 HKAF CC[C@H](Cc1ccc(OC)c(CNC(=O)c2ccc(C3CCCCC3)cc2)c1)C(=O)O 29127286 ZZWHMLRXHBPITO-LJQANCHMSA-N 423.553 5.326 0 1 HKAF Cc1cc(-c2cscn2)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 43015669 GEKUROOQGKKPSR-UHFFFAOYSA-N 402.306 5.948 0 1 HKAF FCCC[C@H]1OC2(CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc21 45288980 ZGGFCMHHXYXYPA-AREMUKBSSA-N 415.552 6.588 0 1 HKAF C[C@@H]1CCCN1CCc1ccc2nc(-c3c(O)ccnc3C(F)(F)F)ccc2c1 49048192 SWRFDYJXSAYWRI-CQSZACIVSA-N 401.432 5.048 0 1 HKAF Cc1ccc(-c2c(CN)c(CC(C)(C)C)nc(Cc3ccccc3)c2C(=O)O)cc1 66075404 DEVYJJJDXMJSJM-UHFFFAOYSA-N 402.538 5.393 0 1 HKAF CCCC/C=C/C/C=C\CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 72169764 GGAMGLRLFOOEDL-KQHSAVHASA-N 415.618 6.831 0 1 HKAF CC[C@H](C)Cn1c(-c2cccc(O)c2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82187881 VJJBQAFGMGLKTI-ROUUACIJSA-N 415.541 5.461 0 1 HKAF CC(=O)O[C@@H]1C=C2CC[C@H]3[C@@H]4CC[C@@](O)(Cc5ccccn5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 84727321 VDIPQWXRULRLDW-YMGHUFFNSA-N 423.597 5.250 0 1 HKAF CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 95914139 FNDRZTFLVFHJIM-YSFYVZBISA-N 422.697 8.297 0 1 HKAF biogenic,in-vitro CN1[C@@H]2CC[C@@H]1[C@@H](CNc1ccc(Br)nc1)[C@@H](c1ccc(Cl)cc1)C2 101451360 CSQWTWVZSNGFRN-AKHDSKFASA-N 420.782 5.176 0 1 HKAF S=c1s/c(=N\c2ccc(OCc3ccc(Cl)cc3)cc2)n2n1CCCC2 103282765 JYSBLYQJTYLHGK-UZYVYHOESA-N 403.960 5.339 0 1 HKAF CC1=C(C(=O)Nc2ccc(Cl)cc2)CC(C(=O)Nc2ccc(Cl)cc2)=C(C)N1 103292019 JKTJYOGVIGQSTI-UHFFFAOYSA-N 416.308 5.112 0 1 HKAF Fc1ccc(F)c(-c2noc(-c3cnn(-c4ccccc4)c3-c3ccccc3)n2)c1 114562871 GEHCRWSESMLOPK-UHFFFAOYSA-N 400.388 5.535 0 1 HKAF O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccccc1F 115312663 XKIIHVGDWUWKJX-UHFFFAOYSA-N 413.374 5.113 0 1 HKAF Cc1cc2cc(C[C@](O)(CC(C)(C)c3cc(F)ccc3C)C(F)(F)F)[nH]c2cn1 169007887 AFQIBZSGVWHLSI-NRFANRHFSA-N 408.439 5.523 0 1 HKAF CC/C=C/C/C=C/C/C=C\C/C=C\C/C=C/CCCCCC(=O)OC[C@H](O)CO 169364406 IDSLCYURGAOTOA-PZBLKWAKSA-N 404.591 5.585 0 1 HKAF CC(C)CC[C@H](O)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 169684340 LMMRHWWBNFVJIU-OFCXPOQJSA-N 404.679 6.584 0 1 HKAF CN(Cc1ccc(CNc2ccnc3cc(Cl)ccc23)cc1)Cc1ccccn1 208201160 VMMWRUYDTLLFBV-UHFFFAOYSA-N 402.929 5.527 0 1 HKAF CCOC(=O)NCCN[C@@H](CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1 209196845 SBTIZQKJKFHNPY-SFHVURJKSA-N 401.378 5.166 0 1 HKAF CC1=C(CC/C(C)=C/CCC2=CC[C@H](C3=CC(=O)OC3)O[C@H]2O)C(C)(C)CCC1 238780365 SFCKEJIXMBMGDU-MAMCSORUSA-N 400.559 5.537 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CCC2=C3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255260788 QGPKBOWNYROFNQ-LSYKYTPDSA-N 400.647 6.424 0 1 HKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3nccc(Br)c3[nH]2)cc1 586878651 IGRVVMSKPOWSRO-UHFFFAOYSA-N 408.255 5.061 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cc4c(ccc5ccccc54)o3)nc3ccc(O)c1c23 586990466 FUVHCLRJRSRARR-UHFFFAOYSA-N 413.432 6.718 0 1 HKAF FC(F)(F)Sc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 587004237 RXKWWSMUMPHWRQ-UHFFFAOYSA-N 413.222 5.481 0 1 HKAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc4c(c3[nH]2)CCCC4)C[C@@H]2CCCC[C@@H]21 587024459 AHVCQELGNAXNPK-NYVOZVTQSA-N 419.594 5.578 0 1 HKAF Cc1ccc2c3c(c(Cc4ccccc4)c([C@H]4CCCNC4)nc13)-c1ccccc1C2=O 587096289 IQZCWZQWOUCFCP-FQEVSTJZSA-N 418.540 5.812 0 1 HKAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c(F)c2)c1 587138517 LPKPVVUFMOXFAA-UHFFFAOYSA-N 420.202 5.575 0 1 HKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cccc(Br)c3[nH]2)cc1F 587151701 SZBOPPFKAPGLMG-IBGZPJMESA-N 415.237 5.772 0 1 HKAF Nc1ccc(-c2ccc3[nH]c(-c4ccc(F)cc4-c4ccc(C=O)cc4)nc3c2)cc1N 587158182 LNTDQZZYEFBULH-UHFFFAOYSA-N 422.463 5.680 0 1 HKAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3C(=O)c3ccc(F)cc3)nc2c1 587162604 GQDMNXWXJJTSMA-UHFFFAOYSA-N 408.816 5.040 0 1 HKAF CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cnccc4[nH]3)c12 587167642 ATRZWHSGWNQHKH-UHFFFAOYSA-N 412.472 5.499 0 1 HKAF Cc1ccc2c(ccc3nc(-c4ccc(NC(=O)Cc5ccccc5C)cc4O)[nH]c32)n1 587240889 RBKAONFIGOOHDA-UHFFFAOYSA-N 422.488 5.282 0 1 HKAF CC(=O)[C@@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327464 GOCQCNLCORETQH-GMAHTHKFSA-N 410.828 5.028 0 1 HKAF C[C@H](c1ccc(Cl)cc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327635 HIWNAUNNWKLUOP-MQWOPBJLSA-N 410.872 6.106 0 1 HKAF CC(C)(C)[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340767 ZDFXSWKSMGKVGS-RCZVLFRGSA-N 408.444 5.971 0 1 HKAF O=C1c2ccc(O)cc2O[C@]2(CC=C(c3ccccc3)CC2)[C@H]1c1ccc(F)cc1 587356202 ZHYKCRSZZHUHEE-AHWVRZQESA-N 400.449 5.897 0 1 HKAF COc1cccc(-c2cc(-c3cc(NC(C)=O)ccc3O)nc3c2oc2ccccc23)c1 587363479 RQPJWEUGYHUBNL-UHFFFAOYSA-N 424.456 5.988 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(c3ccccc3)Oc3cc(C)c(Cl)cc31)O2 587380581 WNRQLPHBNLUDLG-VWLOTQADSA-N 417.892 5.833 0 1 HKAF O=C1C[C@H](c2ccc(-c3ccc(Br)cc3)o2)Oc2c1ccc1c2CCCC1 587499648 TYXDJCMLCPIYBJ-JOCHJYFZSA-N 423.306 6.294 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(F)c2)cc1 587573336 VXUBIZRFQNLOQB-JYFHCDHNSA-N 412.416 5.901 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccc(C(F)(F)F)cc2)N1 587717951 YFCSSFFUQLOPQX-IOKPOUQPSA-N 414.240 5.896 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2SC(F)(F)F)N1 587724142 ZYYUQLRHFIWAGE-ABKXIKBNSA-N 420.269 5.824 0 1 HKAF Cc1ccc(/C(=C\N(C)C)[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587744505 BLLDDASUTQJQSC-XVROZKMSSA-N 403.339 5.075 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2cn(C)c3ccccc23)N1 587753345 AWWGTXIJUNUFEA-WHHFSMLOSA-N 413.334 5.543 0 1 HKAF CCC[C@@H](CC1(c2nc3ccc(O)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781452 JYDXATLOORUDGT-IBGZPJMESA-N 406.526 5.630 0 1 HKAF CC(C)CCOc1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587788830 AFOXMSUFUFMJHQ-QKKBWIMNSA-N 406.339 5.637 0 1 HKAF CCO[C@H](C)c1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587794650 PEFDOUZVPHXASD-ZMOMAAQPSA-N 406.339 5.483 0 1 HKAF Cc1cc(C)c2[nH]c(C)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587800541 BJJJNTXTIHJTDM-XUSGNXJCSA-N 401.323 5.618 0 1 HKAF CCc1ccc2oc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587827205 IIKQNNUYGIQKQL-GTJPDFRWSA-N 402.307 5.695 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2\CCCO2)(c2ccccc2)N1 587831820 ABXLAMMDLLBJJT-YAUJOUCXSA-N 402.307 5.060 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cccs2)(c2cccs2)N1 587852482 LLBSKWPUVNDYSQ-CWTRNNRKSA-N 422.388 5.732 0 1 HKAF Cc1nc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cs1 587856246 XBDPPAQXMXQFRF-DYBLOJMWSA-N 423.376 5.705 0 1 HKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 587868589 ORZPBTFJRXXCME-CABCVRRESA-N 421.806 5.070 0 1 HKAF Fc1ccc2c(c1)-c1cc(n(-c3nc(-c4cccs4)cc(C(F)(F)F)n3)n1)O2 587874113 QGWITPDFCDNNCB-UHFFFAOYSA-N 404.348 5.321 0 1 HKAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587963684 QKDDZPOWEGYPFM-UKRRQHHQSA-N 413.315 5.062 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CNC2CCCCC2)(c2ccc(F)cc2)N1 962957837 ZKGMDSVVCZLVKR-IBVKSMDESA-N 405.561 5.397 0 1 HKAF Cc1ccc([C@]2(Cc3ccc(Cl)cc3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963020322 FNOQSJVGBBZLQE-SIBVEZHUSA-N 416.952 5.188 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@]2(CCc1cccc(Br)c1)C1CC1 963105459 MGCPNQJOEHZSOJ-GGAORHGYSA-N 414.362 5.847 0 1 HKAF FC(F)Oc1ccc([C@H]2NCCc3c(Cl)cc(Cl)cc32)cc1OC1CCC1 963119678 HCJFYXUKWYJMRB-LJQANCHMSA-N 414.279 5.761 0 1 HKAF CC(=O)N[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)[C@@H]1C 1772603529 SAZDFZFCNCTGDS-KVKMPUATSA-N 406.614 5.868 0 1 HKAF CC(C)=CCOc1ccc(-c2cnc(-c3ccc(CN4CCCCC4)nc3)o2)cc1 1772612978 HLJDZRQETFPYMJ-UHFFFAOYSA-N 403.526 5.735 0 1 HKAF OCCCc1nc(-c2ccc(F)cc2)c(-c2ccnc3[nH]c(-c4ccccc4)cc23)[nH]1 1772617297 HLKIWJNLTMGQET-UHFFFAOYSA-N 412.468 5.351 0 1 HKAF O=c1c2ccccc2nc(-c2ccccc2)n1-c1nnc(-c2ccccc2Cl)s1 1772620175 GIWXHQOZHZWJPU-UHFFFAOYSA-N 416.893 5.225 0 1 HKAF FC(F)(F)c1cc(Oc2nccc3ccccc23)ccc1-c1cccc2nccn12 1857553132 DVEVXJFNXUEGIT-UHFFFAOYSA-N 405.379 6.361 0 1 HKAF Clc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CNC2CCOCC2)cc1 1857774428 HMRUEQWBSGCRCE-UHFFFAOYSA-N 417.940 5.590 0 1 HKAF CC(C)=CCCC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O 2356544473 QEXZVESBFWVISP-QHCPKHFHSA-N 408.494 5.745 0 1 HKAF CC(C[C@H](C)[C@@H](C)C(C)C)=C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356609349 WSMAULFAXOAWSD-OAQFPWEASA-N 412.702 7.945 0 1 HKAF C[C@H](C(=O)OCCc1ccccc1)c1ccc2c(c1)SC[C@@H]1CCCC[C@H]1C2=O 597259 YMNUQLHCSOVTHI-DZFGPLHGSA-N 408.563 5.671 0 1 HKAF CCCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(Cl)cc1F 2480515 FKSYBMDFQQPZPU-UHFFFAOYSA-N 402.853 5.340 0 1 HKAF CC(C)N(C(=O)[C@H]1CC[C@H]2c3ccc4cc(C(=O)O)ccc4c3CC[C@]12C)C(C)C 3799797 IDWVVOIQOHQNEX-ZEVJAHDQSA-N 407.554 5.630 0 1 HKAF CC[C@@H]1[C@@H](C)C[C@H]2C(=O)O[C@H](C)[C@H]2[C@H]1/C=C/c1ccc(-c2cccc(Cl)c2)cn1 3955420 HRVDHHRXEWCDQX-CTEHMNNRSA-N 409.957 6.275 0 1 HKAF CCOc1cc2nc(C)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC 13490816 INMBKJSYCMSQID-UHFFFAOYSA-N 420.538 5.911 0 1 HKAF Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 13673635 PNGAHMAIVIRYPV-UHFFFAOYSA-N 409.902 5.546 0 1 HKAF CCOC(=O)c1c(CN(CC)Cc2ccccc2)nc2ccccc2c1-c1ccccc1 13862478 RWRAQVCNBORRPW-UHFFFAOYSA-N 424.544 6.101 0 1 HKAF CC[C@H](C)C(=O)c1c(O)c(CC=C(C)C)c2oc(=O)cc(-c3ccccc3)c2c1O 14585947 YALRCXHVQYBSJC-HNNXBMFYSA-N 406.478 5.609 0 1 HKAF endogenous,in-man CCC1(CC)CN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1C 22937998 SWKUTDHWEYGQHY-JTHBVZDNSA-N 400.969 5.862 0 1 HKAF COc1cc(-c2ccc[nH]2)[nH]c1/C=C1/C=CC(CCCCCCCCCCC(=O)O)=N1 26575258 WMCDMYIVZVHTEA-JZJYNLBNSA-N 423.557 6.356 0 1 HKAF COc1cccc(C2(c3cccc(OC)c3)C[C@@H]3c4ccccc4[C@H]2c2cccc[n+]23)c1 26642859 XNPMOWWZDVCOBR-IZLXSDGUSA-N 420.532 5.416 0 1 HKAF COc1ccc(-c2cc([C@H](O)[C@H]3CCCCN3)c3cccc(C(F)(F)F)c3n2)cc1 27524280 OZJKNWOQEZCERX-KNQAVFIVSA-N 416.443 5.105 0 1 HKAF COc1cc2c(cc1OC)[C@H](CCc1ccccc1)N(C(=O)C1CCCCC1)CC2 28456029 XVGNAGNYYOTCSW-QHCPKHFHSA-N 407.554 5.343 0 1 HKAF Brc1ccc(CO[C@H](Cn2cnc3ccccc32)c2ccccc2)cc1 28821358 YIDYYGFVNWYRKX-JOCHJYFZSA-N 407.311 5.757 0 1 HKAF COc1cccc(OC)c1OCCNC[C@@H]1Cc2ccccc2[C@@H](c2ccccc2)C1 29392948 BJGAWQMDTQOSCU-HYBUGGRVSA-N 417.549 5.067 0 1 HKAF CCCOc1cc(-c2cc(/C=C/C(=O)O)ccc2O)cc2c1C(C)(C)CCC2(C)C 40423425 LCBKSLYILFCQKT-CSKARUKUSA-N 408.538 6.295 0 1 HKAF S=C(NCCCNc1ccnc2cc(Cl)ccc12)Nc1ccccc1Cl 40874940 QVIGSBJPJRNKII-UHFFFAOYSA-N 405.354 5.330 0 1 HKAF Cc1cc2c3cccc(Cl)c3nc(CCc3nc(-c4ccccc4)cn3C)n2n1 66259533 SBUCGJGOECNFRK-UHFFFAOYSA-N 401.901 5.030 0 1 HKAF CC(C)(C)OC(=O)NC[C@H](c1c[nH]c2cc(Cl)ccc12)N(O)Cc1ccccc1 71341211 XYYMVTSULJEXOH-HXUWFJFHSA-N 415.921 5.279 0 1 HKAF COc1cc2nc(NCC3CCCCC3)nc(NCCc3ccccc3)c2cc1OC 82128507 TYYCFZYSGNZGKK-UHFFFAOYSA-N 420.557 5.294 0 1 HKAF COc1cccc(OC)c1OCCN[C@H]1C[C@H](c2ccccc2)c2ccccc2S1 103220209 BUACMQWTVWBBNW-HYBUGGRVSA-N 421.562 5.326 0 1 HKAF COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(O)=C2[C@@H]1c1ccc(F)cc1 104702521 WOOGRBNTXIYGMU-JOCHJYFZSA-N 406.457 5.281 0 1 HKAF CCCCC[C@H](O)c1ccc([C@H]2CC[C@@H](F)[C@@H]2CCCCCCC(=O)OC)cc1 117765726 JTGUMPNVUKLLJU-YCAMKHIRSA-N 406.582 6.646 0 1 HKAF Clc1ccc2c(-c3c(-c4ccc(Cl)c(Cl)c4)ncn3CC3CC3)c[nH]c2c1 143622518 XTEAPLLFYDWQEU-UHFFFAOYSA-N 416.739 7.069 0 1 HKAF COc1cccc(OC)c1[C@H]1CCCCC(=O)N1Cc1csc(-c2ccccc2)n1 167239988 DVETXMSHKZDDED-LJQANCHMSA-N 422.550 5.471 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCC(=O)N1Cc1cccc(Oc2ccccc2)c1 167317185 MDWAKJNHSDZNKH-NRFANRHFSA-N 403.478 5.360 0 1 HKAF CC[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(CCc4ccccc4)cc3)oc2c1 168630502 JBEQJHRQEDMFEG-HXUWFJFHSA-N 423.516 5.530 0 1 HKAF C[C@H]1CCCC(C)(C)[C@@H]1CC[C@H](C)CCC[C@@H](C)CC(=O)Nc1ccc(O)cc1 169307637 UUDJTOPCDKTLHE-IUBSTNSRSA-N 401.635 7.406 0 1 HKAF CCOc1cc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1 223864233 YKMKVAXVLCAZKX-XMMPIXPASA-N 400.478 5.611 0 1 HKAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cc1 586948628 PTUMUFWYOJXFOT-UHFFFAOYSA-N 417.840 5.052 0 1 HKAF N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 586983273 ACESPJDRWJCMFC-SFHVURJKSA-N 408.299 5.360 0 1 HKAF O=C1c2ccccc2-c2cc(-c3ccc(SCC(F)F)cc3)nc3ccc(O)c1c23 586986485 MJTDDXAUBWUWLL-UHFFFAOYSA-N 419.452 6.176 0 1 HKAF O=C1c2ccccc2-c2cc(-c3cccc(-c4ccncc4)c3)nc3ccc(O)c1c23 586987516 CGGOKLNAERSNCA-UHFFFAOYSA-N 400.437 5.881 0 1 HKAF CCOc1cc(OCC)cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586990143 AKXTUZLSDGYVIQ-UHFFFAOYSA-N 411.457 5.616 0 1 HKAF COc1cccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 587001388 XKBAGYNGSUEGDV-UHFFFAOYSA-N 409.287 5.008 0 1 HKAF Fc1c(Br)ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 587032680 MVTHWAFWIMHGQC-UHFFFAOYSA-N 402.292 5.472 0 1 HKAF c1ccc2sc(-c3ccc4nc([C@@H]5SCCc6sccc65)[nH]c4c3)nc2c1 587036762 MOLTUIQJAAAEDK-LJQANCHMSA-N 405.573 6.280 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2)c1 587050934 VYJGRMSUGXZNBI-UHFFFAOYSA-N 416.843 5.688 0 1 HKAF FC(F)(F)c1cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c(Br)cn1 587115139 PHCOKZAGIBAKMW-UHFFFAOYSA-N 410.115 5.425 0 1 HKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1F 587149386 GRUVCQCTQYYDKJ-QGZVFWFLSA-N 405.326 5.423 0 1 HKAF CCCOc1cc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c2cc1Br 587151977 XMCLWOTUAHDSAU-JTQLQIEISA-N 411.246 5.532 0 1 HKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(O)c(Br)ccc3[nH]2)cc1 587158545 OBDJLTRAKCOTFA-UHFFFAOYSA-N 411.230 5.317 0 1 HKAF O=C1Oc2ccccc2C(=O)[C@@H]1[C@@H](Cc1cc2c3c(cccc3n1)CC2)c1ccccc1 587217727 YPWKJZXSBKRCSN-NVQXNPDNSA-N 419.480 5.078 0 1 HKAF COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1OC 587351615 NBHDMZURDQXJAT-RDGATRHJSA-N 422.452 5.131 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C)CC2(C3)OCCO2)c1 587365968 OZPDLLVSLYLTGS-OAHLLOKOSA-N 401.462 5.449 0 1 HKAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccs2)[C@@H]1c1ccc(F)cc1 587377111 QPBGTZOGYQFMDM-ILBGXUMGSA-N 416.473 5.896 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cc(C(F)(F)F)c1F)O2 587381458 JFKBCJHRCTUHEG-AWEZNQCLSA-N 418.184 5.204 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3cnc(Cl)s3)c3ccccc13)O2 587412532 IRSGAYGWVSCMJR-FQEVSTJZSA-N 423.925 5.397 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(O)c(Br)c1)CC2=O 587455794 GEMYTUUSYCLGRM-INIZCTEOSA-N 411.679 5.173 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1Oc1ccc(OC)cc1)CC2=O 587476096 DDFKZSBNGCKTRI-DEOSSOPVSA-N 404.462 5.852 0 1 HKAF O=C1C[C@H](c2c[nH]nc2-c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 587496574 IOUJIOCPSDFYQQ-HXUWFJFHSA-N 423.310 5.425 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc(Cl)c1Cl 587541006 CTTWAJIVRHOAOP-UZLBHIALSA-N 421.663 6.055 0 1 HKAF Cc1ccc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)nc2c1 587552136 NUDYBYWKJVNQHE-NZQKXSOJSA-N 417.848 5.605 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(F)cc2F)o1 587566651 AIBAFBWGUVJIEJ-XUZZJYLKSA-N 420.367 5.633 0 1 HKAF COc1ccc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 587599264 DNXTWEHGHFLBFF-OZXSUGGESA-N 412.441 5.431 0 1 HKAF C[C@]1(C(c2ccccc2)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600274 NPMVHQKJMGIIMO-LBNVMWSVSA-N 422.480 5.945 0 1 HKAF Cc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587604635 XPVVCQZVKZVOOR-LSYYVWMOSA-N 422.480 5.914 0 1 HKAF CCOC(=O)c1c(-c2ccccn2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627840 KKIDIOHQJMLWCE-UHFFFAOYSA-N 402.294 5.444 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(-c3c(-c4ccccc4Cl)noc3C)c(C(=O)OC)c2c1 587639576 ABYNMTLGJUTALK-CYBMUJFWSA-N 422.912 6.752 0 1 HKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(-c2ccccc2)cs1 587657616 YPWNFKKDFLPONR-UHFFFAOYSA-N 417.440 5.454 0 1 HKAF CC(C)c1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cs1 587657689 DYPIBYCPVPAYPS-UHFFFAOYSA-N 410.445 5.215 0 1 HKAF Cc1cc(Cl)cc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)nc12 587699035 PCJBQVWLBKEANW-BIBXISHDSA-N 419.725 5.722 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C(Cl)c3ccccc3CC2)N1 587706919 SOPNKVOLDWGHKN-YBTHPKLGSA-N 406.726 5.760 0 1 HKAF COC(=O)CCCCCCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587804982 GHZVNHPWVLGVQJ-PBHICJAKSA-N 414.359 5.457 0 1 HKAF COc1cc2ccccc2cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587805694 FWEVWEGIWYDEJP-LAJNKCICSA-N 400.291 5.374 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2C[C@H]2c2ccc(Cl)s2)N1 587845264 DERRFNCZYRZXDT-ZGDZFLOASA-N 414.771 5.856 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cs2)N1 587848107 ZPLXHASRBAPLEP-VXJOIVPMSA-N 419.157 5.210 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(O)cc3)s2)N1 587848974 QJWJGPQAKSEYCG-BIBXISHDSA-N 418.331 5.646 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C2CC2)nc2ccccc12 587870800 RVDUIFIXNROPMK-UHFFFAOYSA-N 401.441 5.202 0 1 HKAF Cc1cccc(Cl)c1OCc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)o1 587871750 BACCOTYECZBFDQ-UHFFFAOYSA-N 424.815 5.617 0 1 HKAF CCCCc1ccc(-c2nc(-c3ccc(N(CC)S(C)(=O)=O)cc3)cs2)cc1 587923654 ZPVYJQBAEAEEAT-UHFFFAOYSA-N 414.596 5.606 0 1 HKAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(Cl)cc(Br)c2[nH]1 587926681 KVIGBWUNNBDDNZ-GFCCVEGCSA-N 409.711 5.538 0 1 HKAF CC/C(=C/c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccc(C)cc1 587966010 GAWUBQCRMSIKNJ-WQLSENKSSA-N 409.249 6.603 0 1 HKAF CCOC(=O)CC[C@]1(c2cc(C)ccc2C)c2cc(OC)ccc2CCN1C(C)C 962088303 FZWLTVVHJOWUGK-SANMLTNESA-N 409.570 5.165 0 1 HKAF Cc1cc([C@]2(c3ccc(Cl)cc3)NCCc3ccc(F)c(C)c32)ccc1Cl 962094826 SXZFIMARAXJNSD-QHCPKHFHSA-N 400.324 6.187 0 1 HKAF COc1ccc2c(c1OC)[C@@](CCc1ccccc1)(Cc1ccccc1)N(C)[C@@H](C)C2 962559139 BLMGQOQFTXOMAX-RBTNQOKQSA-N 415.577 5.651 0 1 HKAF Cc1cccc(C)c1CC[C@]1(c2cccc(Cl)c2)NCCc2c1c(C(C)C)nn2C 962920494 MXORPFNFZHSKSB-AREMUKBSSA-N 422.016 5.836 0 1 HKAF Cc1ccnc2c1CCN[C@@]21CC(C)(C)CC2=C1[C@H](C(C)C)Nc1ccccc1N2 963068252 KHHAKJHHVBYQEX-JYFHCDHNSA-N 402.586 5.367 0 1 HKAF CCOC(=O)CCC[C@@]1(c2cc(F)cc(F)c2)c2c(F)cccc2C[C@H]2CCCN21 963098561 IKRIWXCEGARRGL-HYBUGGRVSA-N 417.471 5.101 0 1 HKAF COc1ccc2cc(C(=O)CCCN3CCC(Cc4ccccc4)CC3)ccc2c1 1857536817 LYPIOVYFVKUEIA-UHFFFAOYSA-N 401.550 5.766 0 1 HKAF OC[C@H]1CCCN1Cc1ccc(COc2cccc(CCc3ccccc3)c2)cc1 1857570648 OETCYVILHFTAQU-AREMUKBSSA-N 401.550 5.008 0 1 HKAF O=c1c2oc3nc(-c4cccs4)cc(C(F)(F)F)c3c2ncn1C1CCCC1 1857637222 VGWDMMONTQNMPQ-UHFFFAOYSA-N 405.401 5.400 0 1 HKAF CC[C@@H]1C(=O)N(C)c2ccc(C(=O)Nc3ccc(C)cc3C)cc2N1C1CCCC1 1857646256 BTHQAXNBJQDPLA-OAQYLSRUSA-N 405.542 5.060 0 1 HKAF C[C@H]1CC[C@H]([C@H](C)[C@@H]2C[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2)NC1 2356735206 DADHFMSASPSIMH-BMWSCJDHSA-N 415.662 5.209 0 1 HKAF COc1ccc(-c2noc(C)c2C(=O)NCCC(C)C)cc1OCc1ccccc1 776493 KCBPWPXTXDVGTQ-UHFFFAOYSA-N 408.498 5.014 0 1 HKAF O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)NC1C[C@@H]2CC[C@H](C1)N2C1CCCC1 4882998 PCWHTYQLARQJBV-VHRNVKJDSA-N 415.887 5.418 0 1 HKAF Oc1cc(NCCCN[C@H]2CCCc3c(Cl)cc(Cl)cc32)nc2ccccc12 13487799 VEJXKZICMGOWHA-IBGZPJMESA-N 416.352 5.716 0 1 HKAF CNCc1cc(CCCCN2CCSCC2)ccc1Oc1ccc(SC)cc1 28825337 JVYJGMIWWGWCJQ-UHFFFAOYSA-N 416.656 5.292 0 1 HKAF in-vitro CN1CCC[C@H]1CCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12 29205562 OHSGZCNYGVRQEU-HNNXBMFYSA-N 416.356 5.576 0 1 HKAF CC[C@@H](C)CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO 34167418 YTEYDCRHTOEYAS-PKTZIBPZSA-N 400.644 6.171 0 1 HKAF biogenic CCN(C[C@@H](C)O)C(=O)c1ccc(-c2cccc(-c3nc4c(C)cccc4[nH]3)c2)cc1 45188466 LEMTZVKICHVWQC-GOSISDBHSA-N 413.521 5.048 0 1 HKAF CCCc1nccn1C[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 45369533 AQTJRCXTFQZPAD-AWEZNQCLSA-N 417.353 5.155 0 1 HKAF c1ccc(Cn2c([C@H]3COc4ccccc4O3)nc3ccc(-c4ccncc4)cc32)cc1 49032012 MHYIWQMBECATQF-AREMUKBSSA-N 419.484 5.659 0 1 HKAF CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3cccc4ccccc34)cc2Cl)C1 49045753 MHVXKHZEGCKGDS-NFQMXDRXSA-N 417.980 7.201 0 1 HKAF O[C@H](c1cccc(Cl)c1)c1nnc(Nc2cc(C(F)(F)F)ccc2F)s1 82078188 WKUOOTPTQBGSTO-CYBMUJFWSA-N 403.788 5.175 0 1 HKAF Cc1ccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccc(F)cc3)n2)cc1 82165150 VVQAJXAAOSHNHI-UHFFFAOYSA-N 418.541 5.986 0 1 HKAF CSc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc(-c4ccco4)c3)C2)c1 96272147 RXBYKHNWMUIGEP-IBGZPJMESA-N 420.534 5.159 0 1 HKAF Cc1nc(-c2ccncc2)n2c1sc1cc(OCc3ccc4ccccc4n3)ccc12 103244723 IPIHCOBVERUXBV-UHFFFAOYSA-N 422.513 6.047 0 1 HKAF Cc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nn32)cc1 103948382 WBGQPGITGKWQLD-NRFANRHFSA-N 402.523 5.550 0 1 HKAF COc1ccccc1[C@@H]1Nc2ccccc2N=C2C[C@@H](c3cccs3)CC(O)=C21 104028270 LJPHCNPWBIXXSO-MYYSRTQBSA-N 402.519 6.386 0 1 HKAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccc(F)c(-c2ccccn2)c1 167332183 HNAXXWBRRKDQGR-NRFANRHFSA-N 420.484 5.159 0 1 HKAF CCCCC1([C@H](O)/C=C/[C@H]2CCC(=O)[C@@H]2CCCCCCCC(=O)OCC)CCC1 169315193 WEPFFVSSFVLUMV-AIPZXVPQSA-N 420.634 6.153 0 1 HKAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)c3ccccc3)c2)n1C 169331112 JNKMQYTZVMVSIV-UHFFFAOYSA-N 418.497 5.262 0 1 HKAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccc(Cl)s2)s1 169371881 ULKBAZWILNDSNA-WISJMBLRSA-N 405.972 5.169 0 1 HKAF C[C@@H]1CC[C@@H]2C=C3CC[C@@H](CCCCCCCCCCCC(=O)O)N3[B-](F)(F)N12 207684893 NPOWJWDCKUAFLV-VAMGGRTRSA-N 411.366 5.952 0 1 HKAF in-vitro CCC(C)(C)c1ccc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)cc1 586880156 DMTGTJDLLJCPJI-UHFFFAOYSA-N 411.265 6.699 0 1 HKAF O=C1c2ccccc2-c2cc(CSc3ccc(Cl)cc3)nc3ccc(O)c1c23 586993426 HTMQDPABDWGZNY-UHFFFAOYSA-N 403.890 6.098 0 1 HKAF CCCn1cnc2cc(-c3nc4cc(Cl)c(F)cc4[nH]3)cc(Br)c21 587004204 PRNYSKYNWXLMSX-UHFFFAOYSA-N 407.674 5.545 0 1 HKAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c(C)cnc(Cl)c3[nH]1)N2 587032997 WWRKWNPRGLBHHC-VUUNSECVSA-N 419.963 5.047 0 1 HKAF Fc1cc2[nH]c(COc3ccccc3C3SCCS3)nc2cc1C(F)(F)F 587042980 WVQGLLSWIRSQQB-UHFFFAOYSA-N 414.449 5.778 0 1 HKAF COc1cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc(Cl)c1OCC(C)C 587046653 ZYTSJDJPWMZYMR-UHFFFAOYSA-N 422.912 6.719 0 1 HKAF Clc1ccc(Cl)c(-c2ccc(-c3nc4cnc(Br)cc4[nH]3)o2)c1 587050944 NMKTZOWSHMKRBZ-UHFFFAOYSA-N 409.070 5.954 0 1 HKAF Clc1ccc(Cl)c(-c2ccc(-c3nc4c(Br)cncc4[nH]3)o2)c1 587052068 XISWHCMVOAULNP-UHFFFAOYSA-N 409.070 5.954 0 1 HKAF Cc1cc(C)cc(-c2nc3c(C)ccc4c3c(c2CCC(=O)O)-c2ccccc2C4=O)c1 587100415 JHAZNORJQPBBHJ-UHFFFAOYSA-N 421.496 6.056 0 1 HKAF C[C@H](Oc1ccc(F)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587169054 RKIZTKLDXAVESD-QMMMGPOBSA-N 419.172 5.503 0 1 HKAF C[C@@]1(c2c(F)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334641 PFSAOLVQKLFLQT-DENIHFKCSA-N 400.808 5.598 0 1 HKAF Cc1[nH]c2ccccc2c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346159 LJHWANGMUUUBKT-ZCYQVOJMSA-N 401.437 5.595 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1Oc1ccc(C(C)(C)C)cc1)O2 587403240 LHOJDTJVXJEXSW-DEOSSOPVSA-N 401.506 6.374 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4ccc(Cl)cc4)c1)[C@@H](C2)C3=O 587420946 KGEVAGUESAWOTL-RDPSFJRHSA-N 406.865 5.416 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C34CC5CC(CC(C5)C3)C4)n[nH]1)CC2=O 587486764 TZCFGYRIWDLAHE-XWCHZVAVSA-N 406.526 5.242 0 1 HKAF CN(C)/C=C/[C@]1(c2cc(Cl)cc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587500760 ODGRZTDYZLWWGE-JJNABOQBSA-N 416.348 5.808 0 1 HKAF CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC1CCCC1 587524602 PCDTZPURRBYEIH-XMMPIXPASA-N 406.522 5.992 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)c(C(F)(F)F)c1 587547845 MBTKFVHMCGQWAP-FXAWDEMLSA-N 420.770 5.767 0 1 HKAF CCc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)F)cc1 587622326 KFBMLNAXMJZOGZ-UHFFFAOYSA-N 418.241 5.484 0 1 HKAF CC(C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccc(Cl)cc1 587626971 ZAYBOZKUFHDESK-UHFFFAOYSA-N 405.769 7.649 0 1 HKAF CCCc1c(-c2ccc(Br)cc2F)[nH]c2ccc(S(C)(=O)=O)cc12 587649343 IBAIBXHCXHXTFC-UHFFFAOYSA-N 410.308 5.093 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cnc(Cl)cc3c2)N1 587707283 VFCSPGMTVUMPLP-DGIBIBHMSA-N 405.698 5.413 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(C(F)(F)Cl)N1 587708079 XSOONQQBFHQCPL-PIGZYNQJSA-N 418.684 5.392 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2F)N1 587715402 HMMNWUDUMFMULL-ZKANADHPSA-N 417.091 5.113 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OC(F)(F)F)cc2)N1 587723420 WTXFKWCBEWVNCR-DYZYQPBXSA-N 418.228 5.285 0 1 HKAF CC(C)[C@]1(COCc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587802703 UDILXBANSRPMED-BTYIYWSLSA-N 406.339 5.191 0 1 HKAF COc1ccccc1C[C@@H]1CCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587811597 WJXLHEHBPWJFLK-ICSGCJEQSA-N 418.350 5.369 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/[C@@H]2C(C)(C)CC[C@@H]3O[C@@]32C)N1 587837215 DPEHASUWZCSFOX-REIBSPGESA-N 422.382 5.488 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3sc4ccccc4c32)N1 587859569 XELNZIRLFBQDGG-PRWKNARSSA-N 402.332 5.527 0 1 HKAF FC(F)(F)c1nc(Cl)[nH]c2nc([C@@H](Cc3ccccc3)c3ccccc3)nc1-2 587954811 CLYYTFFXXSTXPR-AWEZNQCLSA-N 402.807 5.351 0 1 HKAF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cncnc2[nH]1 587959078 IYAWPJUHONVOHN-UUQHCRCUSA-N 404.602 7.207 0 1 HKAF Cc1cccc(C)c1[C@@]1(CCc2ccccc2)NCCc2ccc(C(=O)N(C)C)cc21 962922688 GJZPZDIBWVQHTA-NDEPHWFRSA-N 412.577 5.027 0 1 HKAF CCCCc1ccc([C@]2(CCC(=O)O)N[C@@H](CC)Cc3c2[nH]c2ccccc32)cc1 962950522 RQPHIOGUCANHON-FNZWTVRRSA-N 404.554 5.543 0 1 HKAF Cc1sc2c(c1C)CCN[C@H]2c1cn(-c2ccc(F)cc2)nc1-c1ccccc1 963015350 AUCVBCPNJVCCMP-QHCPKHFHSA-N 403.526 5.592 0 1 HKAF CCSc1ccc([C@]2(CCCC(=O)O)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963094677 CMNMPMIAXIILTE-YADARESESA-N 413.558 5.457 0 1 HKAF FC(F)(F)[C@]1(Cc2nc3ccccc3o2)NCCc2c(Cl)cc(Cl)cc21 963101510 COMDHZSBQUQHPG-QGZVFWFLSA-N 401.215 5.281 0 1 HKAF Clc1cc(Cl)c2c(c1)[C@H](c1cn(-c3ccccc3)nc1-c1ccco1)NCC2 963121414 LFWVRIXPKDOSFW-OAQYLSRUSA-N 410.304 5.674 0 1 HKAF CCn1nc(C2(C)CC2)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(F)c2)cs1 1857592475 QFTDBTQRSJWLDN-UHFFFAOYSA-N 422.533 5.455 0 1 HKAF Cc1c(-c2ccccc2)ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n12 1857770010 BNABGSLDLNJPBV-UHFFFAOYSA-N 417.940 5.462 0 1 HKAF CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OC(=O)CC)CC[C@H]32)C1 2356390867 FWAYUWSHYLKUEY-SQIJWXTRSA-N 404.591 5.673 0 1 HKAF CC(C)[C@H](C)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@@]21C 2356578725 COMISLYNEQPREW-LQMRIERTSA-N 414.674 6.383 0 1 HKAF CC=C(C)C(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@]34C=C[C@](C)(CC[C@H]32)C4)[C@]1(C)C(=O)OC 2356614398 SGZWGZMHSKQVTP-LLZMTODTSA-N 414.586 5.616 0 1 HKAF COc1ccc(CN2C(=O)[C@H](n3ccc4ccccc43)c3cc(Cl)ccc32)cc1 206027351 GXZOFEPUONSIDU-HSZRJFAPSA-N 402.881 5.440 0 3 HKAF CC(C)c1cccc(C(C)C)c1NC(=O)N[C@H]1CCc2ccccc2C12CCCC2 1537176 NHUWZNCFCIPCMG-DEOSSOPVSA-N 404.598 6.882 0 1 HKAF O=C(NCc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1cccc2ccccc12 2480153 YCRGIFOPZLFDHQ-UHFFFAOYSA-N 422.459 6.231 0 1 HKAF CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](OC(=O)c2ccccc2)[C@@H](C)N1 13384078 PBWFBFJNCUAIQQ-YFNKSVMNSA-N 401.591 5.843 0 1 HKAF biogenic,in-vitro O=c1c(-c2ccc(C(F)(F)F)cc2)cccn1[C@@H](CN1CCCC1)c1ccccc1 13436588 FEBHFORUGPWOLH-QFIPXVFZSA-N 412.455 5.219 0 1 HKAF Nc1sc(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccc2ccccc2c1 13518335 IXLRTTFPWIOMLQ-UHFFFAOYSA-N 405.522 7.049 0 1 HKAF CCCCCCn1c2c(ccc1=O)[C@@H](NCCc1ccc(Cl)c(Cl)c1)CCC2 13743282 VEKMGIAEUKTPKQ-NRFANRHFSA-N 421.412 5.945 0 1 HKAF CCN(CC)c1cc(C)nc(N(CC)c2ccc(SC)cc2Br)n1 13794489 KPCMAPPMZAAWSE-UHFFFAOYSA-N 409.397 5.274 0 1 HKAF CN1[C@H]2CC[C@@H]1[C@@H](c1ncc(-c3ccc(F)cc3)s1)[C@@H](c1ccc(Cl)cc1)C2 14978584 ZPAUAFZKIQYYOJ-HIUFNZKISA-N 412.961 6.337 0 1 HKAF Cc1ccc(CCCN2CCC(COC(c3ccccc3)c3ccccc3)CC2)cc1 26000733 QFKMJVUBPWNYTI-UHFFFAOYSA-N 413.605 6.446 0 1 HKAF C[C@H]1CN(CCc2cccs2)CC[C@@H]1N(C(=O)c1ccco1)c1ccccc1F 26741344 UYNCWMMWKZSGBI-PXNSSMCTSA-N 412.530 5.080 0 1 HKAF C[C@@H]1c2c([nH]c3ccccc23)[C@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@H]13 28119184 KVTPARWKGZYKAU-ALUUBMBESA-N 412.533 5.019 0 1 HKAF Cn1c(CC(=O)Nc2ccc(C(F)F)cc2)cs/c1=N\c1ccc(Cl)cc1 29124804 XHTNVOMOBFRFKP-CLCOLTQESA-N 407.873 5.091 0 1 HKAF O=C(Nc1ccc(Oc2ccnc3ccsc23)c(F)c1)N[C@H]1C[C@H]1c1ccccc1 35860738 ZCYRUSHHGCLGOQ-LPHOPBHVSA-N 419.481 5.905 0 1 HKAF COC(=O)[C@@H](Oc1cccc2ccccc12)c1ccc(Oc2ccc(Cl)cc2)cc1 39242707 OZADIPDUXCBMIV-DEOSSOPVSA-N 418.876 6.579 0 1 HKAF CC(C)OCCCNC(=O)c1nc(-c2cccc(C(F)(F)F)c2)sc1C(C)C 45196191 PPUSPCJZDIQZDX-UHFFFAOYSA-N 414.493 5.497 0 1 HKAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1C1CCCCC1 64503556 PNWCTVWCTRGHPO-UHFFFAOYSA-N 424.545 5.937 0 1 HKAF CC(C)=CCc1cc2c(cc1O)OC[C@H]1c3cc(C)c(O)c(CC=C(C)C)c3O[C@H]21 72127801 RBWZJDQLHCNCDG-HFZDXXHNSA-N 406.522 6.033 0 1 HKAF biogenic CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)n2ccnc2)C(C)(C)CC[C@H]1n1cncn1 73196968 CPYPQOAYFFGXPW-KBIIGGLTSA-N 417.557 5.498 0 1 HKAF C[C@H]1CC[C@H]([C@@H](C)[C@H]2[C@@H](O)C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)NC1 73409313 PNCADIYJKRZFGU-HRRTYWNUSA-N 417.678 5.001 0 1 HKAF CC1=C(CC/C(C)=C/CC/C(C)=C/CCC2=CC(=O)O[C@@H]2O)C(C)(C)CC[C@H]1O 85998101 HIRZCXOPFLDJON-JVRYRRRMSA-N 402.575 5.519 0 1 HKAF CCCC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1ccc(SC)cc1 104005160 CEXHUPRMKIEGNR-XMMPIXPASA-N 406.551 6.365 0 1 HKAF CCCCSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)/C(=C(/O)OCC)C(C)=N2 104060289 VBQMNYQVIXIBBV-SCDSTIRESA-N 406.939 5.325 0 1 HKAF N=C(N)c1ccc2cc([C@@H]3C[C@H]3c3ccc4c(c3)C(c3ccccc3)=NCC4)ccc2c1 136184385 ALVYBVAQSFMTGH-UIOOFZCWSA-N 415.540 5.788 0 1 HKAF CC(C)C1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 255214264 GXSBDSFFYOOCGN-MIJFPIETSA-N 424.713 8.233 0 1 HKAF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 255281980 XWDAKKDQJHVMKG-LJMPVKHUSA-N 410.686 8.009 0 1 HKAF Cc1sc2nc(CCCCN3CCC(Cc4ccccc4)CC3)nc(O)c2c1C 299865870 OETWNOIVOVHFHN-UHFFFAOYSA-N 409.599 5.291 0 1 HKAF CCCC1(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CCC1 586877707 LACCFGOHEHFAPV-UHFFFAOYSA-N 403.935 5.239 0 1 HKAF Clc1cccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 587000442 NQJXVQZXSPBBSY-UHFFFAOYSA-N 413.706 5.653 0 1 HKAF FC(F)(F)c1cc(Br)cc2[nH]c(-c3ccc(Br)o3)nc12 587007308 GYPSTOPSDOJFCK-UHFFFAOYSA-N 409.987 5.367 0 1 HKAF Fc1cc(C(F)(F)F)c2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c1 587018137 WWXZUIMVXWSALM-UHFFFAOYSA-N 405.376 5.446 0 1 HKAF Nc1ccc(-c2ccc3nc([C@@H]4C[C@@H]4c4c(Cl)cccc4Cl)[nH]c3c2)cc1N 587051958 WJPXBQNBWNENAX-UONOGXRCSA-N 409.320 5.972 0 1 HKAF Cc1cc(C)c2nc(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)[nH]c2c1 587059120 NUETUHUOUPHHGN-UHFFFAOYSA-N 415.928 5.910 0 1 HKAF Clc1ccccc1OCc1ccc(-c2nc3c(Br)cccc3[nH]2)cc1 587062943 DBMHGIIIRBQBSD-UHFFFAOYSA-N 413.702 6.225 0 1 HKAF CN1CCN(c2ccc3nc(Cc4ccc(-c5ccccc5Cl)cc4)[nH]c3c2)CC1 587063043 LLANQVLDKJCRKB-UHFFFAOYSA-N 416.956 5.226 0 1 HKAF N[C@H](N=O)c1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587068840 ALVJGYLIPLJOQD-UTFPEODTSA-N 418.884 5.689 0 1 HKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cccc(Cl)c2[nH]1)c1cccc(Cl)c1 587072444 WWEOPWHCWCFILH-MRXNPFEDSA-N 406.313 5.678 0 1 HKAF Fc1cc(Br)c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2c1 587083413 SKWBBDKDMJQUMP-UHFFFAOYSA-N 411.061 5.987 0 1 HKAF FC(F)(F)Oc1cccc(CSCc2nc3ccc(Br)cc3[nH]2)c1 587124597 NCQWFIXCLMETAC-UHFFFAOYSA-N 417.250 5.657 0 1 HKAF Fc1c(F)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)c(F)c(F)c1S 587134759 OEZDUCCSSRMWEX-UHFFFAOYSA-N 411.605 5.491 0 1 HKAF N[C@]1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)C[C@H]1c1ccccc1F 587154471 PRCPSRPQORWEQS-NPMXOYFQSA-N 400.482 5.320 0 1 HKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 587241813 KAHUYIYNMIPNHR-UHFFFAOYSA-N 409.839 6.277 0 1 HKAF C[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328194 UBSZVRRNWBRAKN-IFMALSPDSA-N 417.263 6.112 0 1 HKAF CC(C)(C)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587357463 UJDUKZRUQSAOPW-OZXSUGGESA-N 404.481 6.103 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3ccc(Br)cc3n1)CC2=O 587458236 IDOCSHRRXZKELY-HXUWFJFHSA-N 412.283 5.362 0 1 HKAF CCCOc1c(Cl)cc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OC 587461816 UCKAWFNGAPNIPE-LJQANCHMSA-N 404.890 5.502 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1cnccc1C)(c1cccc(F)c1C)CC2=O 587464808 AHPMTGQUMVFYBM-RUZDIDTESA-N 405.469 5.405 0 1 HKAF CC(C)(C)[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587495031 BEPYCTXJWVEWDV-QHCPKHFHSA-N 413.355 6.235 0 1 HKAF Cc1cc([C@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Br 587497079 BVPNLERVMQRWTG-HSZRJFAPSA-N 411.339 5.907 0 1 HKAF COc1cccc(Br)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587500971 VRDVAHGJHVIIQN-NRFANRHFSA-N 401.300 5.217 0 1 HKAF CSc1sc(SC)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1CO 587531032 IMKBCTVLNOFLPI-MRXNPFEDSA-N 406.594 5.270 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)c(F)c1 587549594 RDRIETBRQHFOFE-YLJYHZDGSA-N 404.315 5.253 0 1 HKAF CCCCn1nc(C)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550201 VINFALBWZOLRQA-VGSWGCGISA-N 412.873 5.054 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ccnc(Cl)c2c1 587551514 GEKXJHNCEAXLIZ-KNQAVFIVSA-N 403.821 5.297 0 1 HKAF C[C@@]1(c2cccc(CCCCF)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555403 KVSDRNPUDQDYGZ-OFVILXPXSA-N 424.443 5.701 0 1 HKAF Cc1ccc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 587600804 CIOMFKZNTUAZLS-LEAFIULHSA-N 422.480 6.245 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccn2)s1 587614501 SSDUZBHTBDSYIP-NZQKXSOJSA-N 401.443 5.219 0 1 HKAF Cc1c(-c2ccc(Br)cc2F)[nH]c2c1c(Br)cc1n[nH]cc12 587622562 PPIBRPXXTDILID-UHFFFAOYSA-N 423.083 5.684 0 1 HKAF CCCCCCC(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O 587667360 KCJBVOIBDCDIFD-UHFFFAOYSA-N 421.541 5.226 0 1 HKAF CCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587691246 ADVFCMMUXCDTOM-NSPYISDASA-N 412.730 5.654 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cc(Cl)cc2Cl)N1 587691973 JAROXHZJHCFUDO-HYORBCNSSA-N 423.540 6.172 0 1 HKAF CCCOc1ccc(Cl)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587697894 PLWGVEBDIWVFFC-WYRIXSBYSA-N 412.730 5.654 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cc(C(F)(F)F)cc2F)N1 587713574 SPGHZVRZXBJEMP-HYORBCNSSA-N 424.182 5.509 0 1 HKAF CC[C@]1(c2ccc(OC(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587791237 JPHNVDDKHXQOGY-SPLOXXLWSA-N 406.339 5.563 0 1 HKAF CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(C)C 587797821 XLSWVEAOIJZFNC-LRTDBIEQSA-N 422.338 5.398 0 1 HKAF COc1ccc([C@H]2C[C@@H]2[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587807659 LDGSWAWUPWETBO-CGJJIIMXSA-N 404.323 5.150 0 1 HKAF Cc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587813842 FBZVODLAARAHDW-QMHKHESXSA-N 410.330 5.723 0 1 HKAF CC(C)[C@@]1(c2cc3ccccc3o2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587830687 UBLGZLTVTBEONR-YEJXKQKISA-N 402.307 5.768 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3O)cc2)N1 587833372 NFGRKHOTZTXSID-MCMMXHMISA-N 412.302 5.584 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(CN3CCCC3)cs2)N1 587849283 SARIASQRFNMJNP-RNODOKPDSA-N 423.395 5.043 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCCC3)s2)N1 587850159 XQYHZDFQPYLNAX-BUXKBTBVSA-N 409.368 5.264 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)N[C@@H]1CCCC[C@H]1C 587861503 RTKCFPSAKFJMOM-MLGOLLRUSA-N 412.386 5.557 0 1 HKAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 587931700 CTHXUHJXUPVRCK-LJQANCHMSA-N 416.830 6.424 0 1 HKAF Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cc(C)n(Cc3ccccc3F)n2)s1 587944521 BABGOQGCWDRLOZ-UHFFFAOYSA-N 423.513 5.224 0 1 HKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 587950057 IYDPQMUWPSJNBZ-FFSVYQOJSA-N 409.324 5.158 0 1 HKAF COc1ccccc1COc1cc(C(=O)O)cc2cc(OCc3ccccc3)ccc12 653681805 OOMVZMBAXRQHKS-UHFFFAOYSA-N 414.457 5.705 0 1 HKAF CCC(C)(C)[C@@]1(c2ccccc2SC)c2ccsc2CCN1Cc1cccn1C 962373478 MMAFINZZWRSFJI-RUZDIDTESA-N 424.679 6.547 0 1 HKAF COc1ccc2c(c1OC)[C@]1(C[C@H](C)c3c(Br)cccc31)N(C)[C@@H](C)C2 962640478 WJIPOQVSWCIAMB-FBJOKTGGSA-N 416.359 5.094 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(-c3cc(C(=O)O)ccc3C)o2)N1 962950712 HUTQIDZGOINXBJ-VOIUYBSRSA-N 400.478 5.448 0 1 HKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CSc2nc(C)c(C)c(O)n2)(C(C)(C)C)N1 962960299 WNXTXIOWEMVDPW-GYCJOSAFSA-N 424.614 5.238 0 1 HKAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1sc(Oc2ccccc2)nc1Cl 963585331 UQMUCMNLVXCQTG-XIKOKIGWSA-N 416.930 5.230 0 1 HKAF CC(C)[C@@H](C)[C@]1(C)C[C@H]1[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2356347417 HMDSENZCYXUARJ-JBRRMICOSA-N 412.746 8.990 0 1 HKAF CC(C)CC=C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356409308 FHHFCZVBBXBYQL-ZCBMJONGSA-N 416.646 5.539 0 1 HKAF C[C@H](O)CCCCCCCCCCCCCCCc1cc(O)cc(O)c1C(=O)O 2356560971 LKHNOUWMCZTMRP-IBGZPJMESA-N 408.579 6.181 0 1 HKAF CC(=CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CO 2356689873 CLACDUUQGFRYIM-SHYRXIFHSA-N 400.647 6.281 0 1 HKAF CC(=O)O[C@@H]1CC[C@@H]2[C@H](CC[C@H]3[C@@H]4CC[C@@H]([C@H](C)C=CCC(C)C)[C@@]4(C)CC[C@@H]32)C1 2356706801 UCACJVAPKGZMLE-BYUNGHIUSA-N 414.674 7.425 0 1 HKAF C[C@@H]1CC[C@]2(C)CC[C@]34C[C@]3(CC[C@@H]3[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]34C)[C@@H]2[C@@H]1C 2356864523 VVSOUTKITCBWGW-AQQRWCCASA-N 424.713 8.067 0 1 HKAF Cc1cc(C)c(NC(=O)c2ccc3nc(Nc4cccc(C)n4)sc3c2)c(C)c1 13536557 HOOSONNRGCETAU-UHFFFAOYSA-N 402.523 5.921 0 1 HKAF Cc1ccncc1CN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 13738243 XPQNTXBVLBUXAM-UHFFFAOYSA-N 415.968 5.635 0 1 HKAF CCCC(=O)Nc1ccc(-c2cncc(N[C@@H](CCC)c3cccnc3)n2)cc1OC 13976765 VDFNEYLYERKZKT-IBGZPJMESA-N 419.529 5.239 0 1 HKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2cc(O)c(C=O)c(C)c2O1 14767758 YZVVWGKWMXQUIQ-AFWXWVIGSA-N 424.625 7.796 0 1 HKAF biogenic,in-vitro O[C@H]1CCCc2nc3ccccc3c(NCCCC(c3ccccc3)c3ccccc3)c21 14946482 BLNORRZQXAGKJT-MHZLTWQESA-N 422.572 6.629 0 1 HKAF CC(C)c1noc(-c2ncn3c2CN=C(c2ccccc2)c2c(Cl)cccc2-3)n1 26387442 WEEHJWWGKQAJET-UHFFFAOYSA-N 403.873 5.050 0 1 HKAF OCCCCCN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28527831 QKVRQEHPWSQASL-UHFFFAOYSA-N 407.533 5.225 0 1 HKAF O[C@H](CCc1ccccc1)[C@@H]1CCC[C@H]1COCc1ccc(OC(F)(F)F)cc1 28571229 SCSQRCISSSAVPX-KSEOMHKRSA-N 408.460 5.512 0 1 HKAF C[C@H](c1nc(-c2ccc(C(F)(F)F)cc2Cl)no1)[C@H](N)C(F)=C1CCCC1 29126171 OUXJTNNYAUPPAM-VFZGTOFNSA-N 403.807 5.637 0 1 HKAF CCOc1cc(OCC)c(OCC)cc1Nc1cc(C)nc2ccc3[nH]cnc3c12 39214874 HGLNOGDLAAFWTI-UHFFFAOYSA-N 406.486 5.359 0 1 HKAF CCCCn1c(C)c(C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccc(OC)cc21 43009168 XQXFEKFXQGOYPI-UHFFFAOYSA-N 411.498 5.015 0 1 HKAF NC(=O)c1cc(-c2ccccc2)cc2c([C@@H]3CC[C@H](NCc4ccccc4)C3)c[nH]c12 45230865 QYTTXSNJNBGZLH-IRLDBZIGSA-N 409.533 5.360 0 1 HKAF CC1=C(c2nnc(-c3ccccc3)o2)[C@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 45254332 QFLMCHHTNWOOFU-IBGZPJMESA-N 424.291 5.686 0 1 HKAF Cc1ccc(O)cc1Nc1ccnc2cc(-c3ccc(CN4CCCCC4)o3)ccc12 45322078 IXTOXNKKHFZYSW-UHFFFAOYSA-N 413.521 6.238 0 1 HKAF CCc1nc(C)cn1C[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 45372159 VPFPNHVXCIERAP-CQSZACIVSA-N 417.353 5.073 0 1 HKAF CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@H](CO)[C@@H]1CC3 59299077 ORZKEIGPXNMCHC-IMMLWJFUSA-N 414.674 6.671 0 1 HKAF in-vitro,metabolite Cc1cc(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c1 59570231 AQKJHSVMUFRPBD-OAQYLSRUSA-N 402.490 5.809 0 1 HKAF CC1=Nc2ccc(Cl)cc2[C@H](c2ccccc2)N1CCNC(=O)c1ccccc1 72125061 XDMNBOFNCLFESD-QHCPKHFHSA-N 403.913 5.225 0 1 HKAF Cc1c(OCc2ccc(-c3ccccc3)cc2)ccc2cc(CCC(=O)O)c(=O)oc12 95576861 RPYFPPGRCKOZRT-UHFFFAOYSA-N 414.457 5.365 0 1 HKAF Cc1ccc2c(c1C)N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)Cc1cccnc1N2 95579134 BHOCTOJSYIHUDO-UHFFFAOYSA-N 421.566 5.448 0 1 HKAF CC(C)CCN(CCC(C)C)c1ccc(C(=O)N2CCc3ccc(O)cc3C2)cc1 103301009 RUQVYGZEIMBJCN-UHFFFAOYSA-N 408.586 5.489 0 1 HKAF COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3[nH]nc(-c4ccc(C)cc4)c32)cc1 103888712 DXKZOIGVAHSNQK-OAQYLSRUSA-N 413.521 6.244 0 1 HKAF CCc1cnc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2)s1 105189091 XRMBKORUOZPDCM-STRKUORWSA-N 418.610 6.312 0 1 HKAF Cc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)cc1 149054381 PTGQNPNZEHGRNH-UHFFFAOYSA-N 415.518 6.175 0 1 HKAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2ccccc2)c1 167411267 FWSUADRGLVSKNN-PGRDOPGGSA-N 401.506 5.481 0 1 HKAF Cc1ccc(C(=O)Nc2ccc(O[C@H](CCN(C)C)c3ccccc3)cc2)cc1Cl 169345075 FDLYZRZFIQWFJX-XMMPIXPASA-N 422.956 5.973 0 1 HKAF CC1(C)CC(=O)[C@H]2C(=Nc3ccc(C(=O)O)cc3N[C@H]2c2c(F)cccc2Cl)C1 169722092 LGUKSKUMIRVUCO-UXHICEINSA-N 414.864 5.422 0 1 HKAF CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1nc2cccc(C)c2n1C 169722382 ZWHUHGFRCGCKFH-FPOVZHCZSA-N 424.335 5.864 0 1 HKAF C/C=C(/CC[C@@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 255231860 MCWVPSBQQXUCTB-AJCRBCQQSA-N 412.702 7.945 0 1 HKAF C[C@@H]1CN(CCc2cccs2)CC[C@H]1N(C(=O)c1ccco1)c1ccccc1F 299805098 UYNCWMMWKZSGBI-YLJYHZDGSA-N 412.530 5.080 0 1 HKAF COc1cccc(N2[C@H](c3ccccc3)[C@@]23C(c2ccccc2)=Nc2ccccc23)c1 299847013 CUUBHGGFAQBGRZ-QWKOWPTQSA-N 402.497 6.286 0 1 HKAF CCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1cc(Cl)cc(Cl)c1 474609596 QWXFURSEJUYSRU-UHFFFAOYSA-N 405.285 5.346 0 1 HKAF CCc1ccc(-c2nc3cc(Br)c(OCC(C)C)cc3[nH]2)cc1CC 586881929 ZYTGWRUUPHVQHT-UHFFFAOYSA-N 401.348 6.152 0 1 HKAF Cc1cccc(-c2nc3ccc(O)c4c3c(c2CCC(=O)O)-c2ccccc2C4=O)c1 586990029 HYFLCDQHNBESAB-UHFFFAOYSA-N 409.441 5.144 0 1 HKAF Fc1cnc(Cl)c2[nH]c(COc3ccc4ccccc4c3Br)nc12 587002963 ZJANNQHYXHHYOW-UHFFFAOYSA-N 406.642 5.245 0 1 HKAF Brc1ccc2cc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)cn2c1 587006799 SFBTXFWFYIMLNA-UHFFFAOYSA-N 404.267 6.037 0 1 HKAF CCc1ccc(-c2nc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)cs2)cc1 587015682 HLDNNOQTEDITSS-UHFFFAOYSA-N 411.530 6.495 0 1 HKAF Clc1ccc(CC/C(=C/c2nc3cc4ccccc4cc3[nH]2)c2ccccc2)cc1 587074500 YNPYAOHYHFXYPJ-NKFKGCMQSA-N 408.932 7.543 0 1 HKAF Clc1ccc(-c2nnc(CCc3nc4ccc(Oc5ccccc5)cc4[nH]3)o2)cc1 587074982 AJCFAQVOSVFQGO-UHFFFAOYSA-N 416.868 5.844 0 1 HKAF Cc1ccc(S(=O)(=O)Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587102422 QFZNBYKLRVWUMO-UHFFFAOYSA-N 413.498 5.037 0 1 HKAF COC(=O)CCc1c(-c2ccc(OC)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587107152 PCIHUJMXAJFAPE-UHFFFAOYSA-N 423.468 5.227 0 1 HKAF Fc1cc(F)c(-c2nc3cc(Br)cc(F)c3[nH]2)cc1Br 587137944 TUZRXNLNVUIUNN-UHFFFAOYSA-N 405.999 5.172 0 1 HKAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1F 587151915 IYWPXEZEYPREDY-ZJUUUORDSA-N 417.175 5.894 0 1 HKAF Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(F)cc(F)c3[nH]2)cc1 587165268 OAHLQXKLULKGRS-UHFFFAOYSA-N 419.410 5.318 0 1 HKAF Cc1c(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc(-c2ccc(F)cc2)n1C 587165513 CMLFFULIGAAWNJ-UHFFFAOYSA-N 418.697 6.099 0 1 HKAF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(SC(F)(F)F)cc2[nH]1)C1CCCC1 587225524 LIHADEUPDKYGSA-OAHLLOKOSA-N 415.481 5.931 0 1 HKAF O=C1c2ccc(O)cc2O[C@](CC2CC2)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 587326262 BHIOANLZNWLXBX-UKILVPOCSA-N 422.883 6.239 0 1 HKAF CC(=O)c1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)nc1C 587341291 VXKUAFLKBNRHMM-ILBGXUMGSA-N 419.452 5.020 0 1 HKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](c2ncccc2C)CC3)c1 587363011 KXIFBHORLDXPFT-LJQANCHMSA-N 420.512 6.633 0 1 HKAF COc1cc2c3c(c1)O[C@](C)(CCc1c(C)nc4ccc(C)cc4c1Cl)[C@@H](C2)C3=O 587420215 HQZHBLVMHUSVMN-UQBPGWFLSA-N 421.924 5.653 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(Br)cc1F)CC2=O 587466250 MSVQNYFLKQTKAO-KRWDZBQOSA-N 413.670 5.606 0 1 HKAF CCCc1c(O)ccc2c1O[C@](CCC)([C@H](CC)Sc1ccoc1C)CC2=O 587491157 JLXZKKUAACUUSF-GMAHTHKFSA-N 402.556 6.321 0 1 HKAF C[C@]1(CC(=O)Nc2ccc(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587510453 ZAHLQPBTTQYPOS-JOCHJYFZSA-N 418.320 5.625 0 1 HKAF CCCCCc1ccc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587529214 LOIPXKKKCFFEAY-HHHXNRCGSA-N 420.549 6.024 0 1 HKAF CN(C)c1ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2c1 587573234 SHEKLXJLAFSMJU-OZXSUGGESA-N 411.457 5.314 0 1 HKAF Cc1cc(C)cc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587580464 XZDZCTAUQXXUAR-OZXSUGGESA-N 411.457 5.503 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)Cc1ccccc1-2 587603642 QKECKVOPERXUIW-SQHAQQRYSA-N 406.437 5.666 0 1 HKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cc(C(F)(F)F)ccc1Cl 587658377 NSRVJUUEDQKVHV-UHFFFAOYSA-N 418.777 5.864 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(C(F)(F)F)N1 587704752 KAJGWJHVUQIDCF-PIGZYNQJSA-N 402.229 5.123 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)c(C(F)(F)F)c2)N1 587711266 JLARMQCSSYVUQJ-BCTVWOGZSA-N 422.647 5.884 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccccc2F)N1 587727330 NYCWQNWUKMLVOQ-FKIZINRSSA-N 403.270 5.142 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(C3CCC3)c2F)N1 587730092 WTBVNFXMVMUROA-QKVFXAPYSA-N 406.314 5.793 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(F)cc3)o2)N1 587733758 LUOZXJTWVDCHPF-PRWKNARSSA-N 404.254 5.611 0 1 HKAF CC(C)c1ccc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1 587806194 VMKCYJFIYXPLPB-XUSGNXJCSA-N 401.323 5.817 0 1 HKAF COc1cccc([C@]2(C(C)(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587812232 YUPCPAAJQNBFBI-ASSNKEHSSA-N 406.339 5.421 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)COC(C)(C)O3)N1 587832456 JUOLTLIPJQSVOA-XUSGNXJCSA-N 420.322 5.031 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ccc(O)cc3)n2)N1 587849898 BPCRQRQSJXUQCC-MLCYQJTMSA-N 419.319 5.041 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccccc3)cs2)N1 587853483 NLAOBNYAFJJOON-BBATYDOGSA-N 403.320 5.335 0 1 HKAF COc1cccc(-c2cc(O)cc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c2)c1 587933067 JFCPSFPRCZLCQA-UHFFFAOYSA-N 418.802 6.283 0 1 HKAF CCN1CCOc2ccc(-c3cc(N[C@@H]4CCCc5ccccc54)nc(C)n3)cc21 653673712 OHQKVZFQJNMBLO-OAQYLSRUSA-N 400.526 5.160 0 1 HKAF Cc1cc2c(cc1F)[C@]1(CCC[C@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C)NCC2 962090202 HFWNPURMAWMYIV-SNYIIPAISA-N 402.554 5.065 0 1 HKAF Cc1ccn2c([C@@H]3NCCc4ccc(F)c(C)c43)c(-c3ccc(F)c(F)c3)nc2c1 962373764 JBFKJOOVUNDOBS-HSZRJFAPSA-N 407.439 5.271 0 1 HKAF CC(C)(C)C[C@@]1(c2ccc(Cl)cc2Cl)NCCc2cccc(-c3ccccc3)c21 962659884 AWFLMKXIISFHBT-SANMLTNESA-N 424.415 7.486 0 1 HKAF Oc1ccc2c(c1)[C@@]1(C[C@@H](c3ccccc3)O2)NCCc2cccc(-c3ccccc3)c21 962672249 XXWRKPUPPWEACU-LMSSTIIKSA-N 419.524 5.972 0 1 HKAF COc1ccc2c(c1)[C@](c1ccccc1CN1CCCC1)(C1CCCC1)N[C@@H]1CC[C@@H]21 962999663 ZBOONDASFIAYMY-HNPKZYAISA-N 416.609 5.574 0 1 HKAF Cc1sc2c(c1C)CCN[C@]21C[C@]23CC[C@@H]4c5ccoc5C=C[C@@]4(C)[C@@H]2CC[C@H]1C3 963019705 IJWVXRPFGBIHGF-KCDNZCOGSA-N 419.634 6.716 0 1 HKAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21NCCc2ccc(O)cc21 963328792 IXLWLOWGVAVSAS-OBOOOKMBSA-N 403.566 5.298 0 1 HKAF CC[C@@]1(c2cccc(Cl)c2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963832361 OSMGGPDTHCJKIU-SANMLTNESA-N 416.952 6.200 0 1 HKAF COc1ccc(F)c(F)c1-c1cc(Cl)cc([C@H](CC(=O)O)c2ncc(C)s2)c1 1772602182 MLHXRUOSWVPBBL-AWEZNQCLSA-N 423.868 5.665 0 1 HKAF O=C(c1n[nH]c2ccc(Cl)cc12)N1CCC(c2ccccc2C(F)(F)F)CC1 1857562415 FPEPUNTVXTWUQJ-UHFFFAOYSA-N 407.823 5.255 0 1 HKAF FC(F)(F)Oc1ccc2nc(N3CCc4c([nH]c5ccc(Cl)cc45)C3)sc2c1 1857579252 FRZKINPVKRHBHI-UHFFFAOYSA-N 423.847 5.892 0 1 HKAF CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@@H]1C[C@H]1c1ccc(F)cc1 1857592756 HKDMXVFAYYQTRF-GMAHTHKFSA-N 421.560 5.333 0 1 HKAF CC=C(C)C(=O)O[C@@](C)(CC1CCCCC1)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 2356315743 JDNYBHFWAQXRBT-DHLKQENFSA-N 410.510 5.335 0 1 HKAF CC(C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4[C@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@@]3(C)CC[C@@]12C 2356357571 JSAWQLUFWWPQST-NTSDWVDRSA-N 412.702 7.635 0 1 HKAF CC(C)[C@@H](C)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356419895 IJWMVKBLTSNFEG-HARJWSPQSA-N 412.702 7.657 0 1 HKAF C[C@@H]1CC[C@]2(C)C=C[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@@H]1C 2356534430 ZSEJPSTXLLEUQU-VQYUBKOOSA-N 424.713 7.801 0 1 HKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2356550893 MYFPKLPVHIDFHO-JTNIEQBNSA-N 418.662 5.330 0 1 HKAF CC1(C)CCC[C@@]2(C)[C@H]3CCC4=CN(CCS(=O)(=O)O)C=C[C]4[C@]3(C)CC[C@H]12 2356849052 DKETWRMWEHPURL-DWQJTFDBSA-N 406.612 5.205 0 1 HKAF O=C(c1cc(Cl)cc(Cl)c1)N1CC[C@H]2C[C@H]1c1cc(N3CCCCC3)ccc12 102903547 HIOAILCNYOLLTD-NYHFZMIOSA-N 415.364 6.058 0 3 HKAF O[C@H](c1cccc(Cl)c1)c1nnc(Nc2cccc(Oc3ccccc3)c2)s1 206056406 JCXPTFOKAWARRQ-LJQANCHMSA-N 409.898 5.809 0 3 HKAF CC(C)=CCc1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C(=O)[C@H](C)[C@H](C)O2 591393 ZJXOEBUGDGYYOO-CABCVRRESA-N 404.462 5.274 0 1 HKAF biogenic CCn1cc([C@@H](c2ccc(Cl)cc2)n2ccnc2)c2cc(Br)ccc21 5848355 ZUWZMYGOOTZWBS-HXUWFJFHSA-N 414.734 5.911 0 1 HKAF N=C(NCC1CC1)c1ccc(-c2ccc(-c3ccc(C(=N)NCC4CC4)cc3)o2)cc1 6536356 PWXALFMWCCNJCY-UHFFFAOYSA-N 412.537 5.264 0 1 HKAF COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@H]23)c2c1OC(C)(C)C2 13474125 WPKUFAIEVOBXTL-AZUAARDMSA-N 422.569 5.260 0 1 HKAF O=c1sc(Nc2ccccc2)nc2sc3c(c12)CCN(Cc1ccccc1)C3 13678181 YASVGHWMYKKJOG-UHFFFAOYSA-N 405.548 5.020 0 1 HKAF O=C(O)CC/C=C\C[C@@H]1CO[C@H](c2ccc(Cl)c(Cl)c2)O[C@@H]1c1cccnc1 13740453 IXVZMIJUOSLLMR-UIFUSKBNSA-N 422.308 5.602 0 1 HKAF Cc1cc(C)c(-n2c(C)c(C)c3c(-c4ccccc4C(F)(F)F)nc(C)nc32)c(C)c1 26010851 MAZMGXJNKUIQIQ-UHFFFAOYSA-N 423.482 6.957 0 1 HKAF CC/C(=C(\Cc1ccccc1)c1ccccc1)c1ccc(OCN2CCOCC2)cc1 26019062 ICXSUXCIDBUUCR-DQSJHHFOSA-N 413.561 5.919 0 1 HKAF O=c1[nH]c2cc(Cl)ccc2c(OCc2ccc3ccccc3n2)c1-c1ccccc1 26577990 YZARVBWTIHMYEN-UHFFFAOYSA-N 412.876 5.976 0 1 HKAF CCN(CC)CCC[C@H](C)Nc1nc(-c2ccc3ccccc3c2)nc2ccccc12 28521437 SHEMKMWVFCDWLR-FQEVSTJZSA-N 412.581 6.372 0 1 HKAF COP(=O)(OC)O[C@@H](c1ccc(-c2ccccc2)cc1)P(=O)(OC)OC 29223239 ULMJJYVHZOVITL-QGZVFWFLSA-N 400.304 5.256 0 1 HKAF O=C1NC[C@H](c2ccc(F)cc2)C12CCN(C1(c3cccc(F)c3)CCCCC1)CC2 36222084 POAHFMHBQCXHLU-HSZRJFAPSA-N 424.535 5.120 0 1 HKAF Cc1ccc([C@@H]2CNC(=O)C23CCN(C2(c4ccccc4)CCCCC2)CC3)cc1 38147573 OALSVDCRGQVHMD-DEOSSOPVSA-N 402.582 5.150 0 1 HKAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(O[C@H](C)c3ccccc3)c2)[nH]1 40935762 OCMPQLHIFUTCQA-OAHLLOKOSA-N 405.498 6.140 0 1 HKAF COc1ccc(CN2CCC(CNCCc3c(Cl)cccc3Cl)CC2)cc1 45324227 SPQBQABCLDBNAQ-UHFFFAOYSA-N 407.385 5.046 0 1 HKAF CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccccc1 82134031 FFJLCEMQXVTKEG-NHCUHLMSSA-N 422.617 5.380 0 1 HKAF COc1ccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccco3)n2)cc1 82166385 WGSABPJUEHQOIR-UHFFFAOYSA-N 406.511 5.140 0 1 HKAF CCCn1c(-c2ccc(O)cc2Cl)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1 95576301 LFOFECBYKALMAZ-UHFFFAOYSA-N 419.908 6.669 0 1 HKAF O=C(Oc1ccccc1)[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 100809673 BTRDJLBCRUKQNT-PBAKKQFKSA-N 414.332 5.465 0 1 HKAF CN1[C@H]2CC[C@H]1CC(CCOC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 100937958 CQSAXCBVCGNIIQ-VXKWHMMOSA-N 404.381 6.362 0 1 HKAF CCc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC(C)=C2C(=O)OC)cc1 103898602 JYOGBVNHEZXUGV-RDPSFJRHSA-N 401.506 5.624 0 1 HKAF Cc1c(N(CCC(F)(F)F)S(=O)(=O)c2cccc(C#N)c2)sc2ccccc12 115234125 XHWULVDWVHCLFT-UHFFFAOYSA-N 424.469 5.229 0 1 HKAF CC(=O)N1CCC(c2cccnc2Oc2ccc(Nc3ccc(Cl)cn3)cc2)CC1 139443588 VIBAYRQTDLTCKX-UHFFFAOYSA-N 422.916 5.392 0 1 HKAF CCCCCCNC(=O)Oc1cccc(-c2ccc([C@@H](C)C(=O)OC)cc2F)c1 143701341 ICCRRGDHQNIXDV-MRXNPFEDSA-N 401.478 5.438 0 1 HKAF Cc1ccc(CN[C@H](c2ccc[nH]2)c2nnc(-c3ccc(Br)cc3)o2)cc1 169307907 XVFKZHSVWQGWBF-LJQANCHMSA-N 423.314 5.015 0 1 HKAF CCCCC[C@H](C)[C@@H](C)c1cc(NC(C)=O)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 169323123 GWAZHDZAZQUESD-GBESFXJTSA-N 411.630 7.710 0 1 HKAF CCc1nc(-c2cccc(CO)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1 169326194 XIASPKGKOJHFFY-UHFFFAOYSA-N 415.518 5.179 0 1 HKAF O=S(=O)(c1cccc2ccccc12)N1N=C2CCCC[C@@H]2[C@H]1c1ccc(F)cc1 195325572 PFSBBKSUGSPKCV-NZQKXSOJSA-N 408.498 5.271 0 1 HKAF CCc1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1 221257073 CLSVZGZTVFYLAS-NTEUORMPSA-N 416.498 6.726 0 1 HKAF CCOc1cc(/C=C/c2nc3c(C)cnc(Cl)c3[nH]2)cc(Br)c1OC 586978469 TZZGDLZJBYDGKP-AATRIKPKSA-N 422.710 5.260 0 1 HKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1 587066586 NVDWIMHYHAECCL-UHFFFAOYSA-N 410.226 6.655 0 1 HKAF CC(=O)[C@@H](C/C=C/c1ccccc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587100065 ZJIYGDYSZNRZHJ-OGECGYFKSA-N 417.508 6.531 0 1 HKAF Cc1ccc2c3c(cc(COc4ccc5ccc(=O)oc5c4)nc13)-c1ccccc1C2=O 587103658 ZUGXUPXZQCAGRE-UHFFFAOYSA-N 419.436 5.440 0 1 HKAF CC(C)(C)OC(=O)N1CCC[C@@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C1 587105098 ODKSFDAIIHGRKT-MRXNPFEDSA-N 414.505 5.561 0 1 HKAF Fc1cc(Br)c(Cl)cc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 587136539 JZZFOPBVFFEMFC-UHFFFAOYSA-N 409.564 5.684 0 1 HKAF Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3ccc(F)cc3[nH]2)cc1 587165893 OVSMFQAFYMCQLV-UHFFFAOYSA-N 401.420 5.179 0 1 HKAF CCC(=O)Nc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587335306 LCATXYFLGUKEDB-UKILVPOCSA-N 419.452 5.154 0 1 HKAF COc1cccc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)oc12 587357257 TZNGGODEQSYRNY-RCZVLFRGSA-N 418.420 5.560 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(Cl)c(Cl)c1O)O2 587376030 GSXPYYGZYNAEJZ-LBPRGKRZSA-N 417.086 5.059 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Oc3cc(Cl)cc(Cl)c3)c1)O2 587376430 CKAHPMZNYPHYIS-OAQYLSRUSA-N 414.288 6.383 0 1 HKAF Cc1ccc(Oc2c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c3ccccc3n2C)cc1 587392279 YIZVVFLAQHZOPI-HSZRJFAPSA-N 412.489 5.876 0 1 HKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc(C(F)(F)F)c4)o1)[C@@H](C2)C3=O 587423624 UFNDYKALNNDNAH-YCRPNKLZSA-N 400.352 5.463 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(C(C)C)nn(-c3ccccc3)c1Cl)CC2=O 587460082 GFSVPTWBDQXKBH-FQEVSTJZSA-N 424.928 6.014 0 1 HKAF CCCc1c(O)ccc2c1O[C@H](c1c(F)cc(Br)c(F)c1F)CC2=O 587465566 IEOJUVNLFGFXBA-AWEZNQCLSA-N 415.205 5.231 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(F)c(OC)c3)cc1)CC2=O 587468623 YSWMDTXPPYBZKM-HSZRJFAPSA-N 406.453 5.866 0 1 HKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(OC)cc1OC)CC2=O 587476184 FCVHXUAONWZRBH-SANMLTNESA-N 418.489 5.271 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)cc1OCc1ccccc1)CC2=O 587477737 GHGLYJXORVCBTB-RUZDIDTESA-N 418.489 5.639 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)c1C(F)(F)F 587550369 VCCLWESENABRTR-OXJNMPFZSA-N 404.315 5.253 0 1 HKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cccc(Cl)c1 587550578 XSEZAMVCAZNCCD-XUZZJYLKSA-N 417.848 5.539 0 1 HKAF C[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550682 WACVPMFTNDSNML-RXVVDRJESA-N 400.352 5.288 0 1 HKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC1CC1 587596931 XIDGLHUCBMTCHL-RCZVLFRGSA-N 402.446 5.192 0 1 HKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3N)c(CN3C(=O)c4ccccc4C3=O)c2c1 587643452 UOEFJRBIFZXARB-INIZCTEOSA-N 423.516 5.727 0 1 HKAF CC[C@@]1(c2cc(Cl)ccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587694315 HBFQJBLYRQBQJG-JEOXALJRSA-N 412.730 5.438 0 1 HKAF CC[C@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587700615 ZNLUIIRHYMCUJI-MLCYQJTMSA-N 417.149 6.083 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN([C@H](C)c3ccccc3)CC2)N1 587770651 SLLWBKFFYSRQRV-JKSUJKDBSA-N 417.366 5.175 0 1 HKAF CCCc1ccc([C@@]2(C(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587814612 UZAIWJWSLAJVSD-IVZQSRNASA-N 404.367 5.975 0 1 HKAF Cc1cc(C(C)(C)C)cc(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587816682 ZXLZQEPUNQHRTG-IQMFZBJNSA-N 418.394 6.300 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([C@H]3CCCCO3)s2)N1 587847899 MNEZZFIPTBIGJU-FRGNPEFRSA-N 410.352 5.515 0 1 HKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2ccco2)cc(C(F)F)n1 587871205 QCSYNZZZQICXEM-UHFFFAOYSA-N 400.360 5.065 0 1 HKAF Cc1c(-c2ccccc2)c2ccccc2n2cnc(C(=O)N(C)Cc3ccccc3)c12 653835881 ULABFYCLDBOPBI-UHFFFAOYSA-N 405.501 5.735 0 1 HKAF CC(C)c1ccc([C@@H]2CCCC[C@@]23c2ccsc2CCN3Cc2ccco2)cc1 962705242 KQHWRVRSBZDUDQ-OZXSUGGESA-N 405.607 7.076 0 1 HKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1ccccc1OCc1ccc(Cl)cc1 963089257 GJUJEHDZBZBERW-PXDATVDWSA-N 407.916 6.168 0 1 HKAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2ccc(Cl)c(Cl)c2)N1 963178886 FDVGHRQSXJQAOJ-LSDHHAIUSA-N 424.633 5.354 0 1 HKAF COc1cc2cc([C@H](OC(=O)C3CC3)c3ccc4ncccc4c3)oc2cc1OC 1772599313 NIJBYONTAROBOK-HSZRJFAPSA-N 403.434 5.041 0 1 HKAF O=C(O)CCc1ccc(OCc2cccc(-c3cc(Cl)nc(Cl)c3)c2)s1 1772653476 QMPORQGNKCFRSA-UHFFFAOYSA-N 408.306 5.713 0 1 HKAF Cc1cc(CC2(Cc3ccnc(C)c3)c3ccccc3C(=O)c3ccccc32)ccn1 1857548454 KUOSIWYWLWAFMD-UHFFFAOYSA-N 404.513 5.409 0 1 HKAF COc1cc(C(=O)c2cccc(-c3ccc(C(F)(F)F)cc3)n2)cc(OC)c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c1cc2c(c(=O)o1)C[C@@H]1[C@](C)(CC[C@H]3[C@]4(C)CC[C@@H](O)C(C)(C)[C@H]4CC[C@]13C)O2 2356574385 XVYAFRIRAFSVGL-RSQFCLBKSA-N 414.586 5.272 0 1 HKAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)C3=C(CC[C@@H]12)CN(CCS(=O)(=O)O)C=C3 2356835389 KRFZVTQRVGSQKF-IRMYBRCSSA-N 407.620 5.043 0 1 HKAF COc1ccc(-c2sc(C(=O)c3ccc(Cl)cc3Cl)cc2CC(=O)O)cc1 3648067 HYIOZBMQUICSTI-UHFFFAOYSA-N 421.301 5.589 0 3 HKAF COc1ccccc1Cc1c(-c2ccc(OC)c(OC)c2)nc2c3ccccc3ccn12 95567280 SEQRBKWHMKQPTL-UHFFFAOYSA-N 424.500 5.771 0 3 HKAF COC(=O)c1ccc(Oc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc1 1645526 TZMSVUZPACUCMO-UHFFFAOYSA-N 424.378 5.895 0 1 HKAF C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 13540659 FYHRJWMENCALJY-LKRVVFGHSA-N 402.663 6.361 0 1 HKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1ccc(Cl)cc1)Oc1ccc(F)cc1-3 13777145 NTTRQYICIVZJOG-XMMPIXPASA-N 405.900 7.235 0 1 HKAF O=C1C[C@](CCc2ccccc2)(c2ccccc2)OC(=O)[C@H]1Sc1ccccc1 17731573 GQFUOEUKVURDSZ-UKILVPOCSA-N 402.515 5.192 0 1 HKAF COc1ccc(-c2cc(Oc3ccc(F)c(F)c3)nnc2-c2ccc(OC)cc2)cc1 26470868 XOVNKMFNEVDUAR-UHFFFAOYSA-N 420.415 5.898 0 1 HKAF CC(C)CCC[C@@H](CO)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 78214662 OJUSVVMRDIXPCC-PAMFVNDTSA-N 402.663 6.361 0 1 HKAF CCCCCn1c(-c2ccsc2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187264 NNIBGRJDOJPLLN-UHFFFAOYSA-N 409.534 5.539 0 1 HKAF Cc1ccc([C@H](CC(=O)N2C[C@@H](C)C[C@H](C)C2)c2c(O)ccc3ccccc23)cc1 95594372 NDXFAXFPWSKNFC-SKPFHBQLSA-N 401.550 5.880 0 1 HKAF CO[C@H](c1cc(C)no1)c1ccccc1COc1ncc(C(F)(F)F)cc1Cl 103183737 RFOVDOFZPFAXDD-KRWDZBQOSA-N 412.795 5.365 0 1 HKAF C[C@@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 119214066 VCYNHQOAZQMPOJ-XPISADQXSA-N 413.646 5.575 0 1 HKAF in-man CC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCCCC(C)C 238734581 UMEKRTDTNATYEO-JOCHJYFZSA-N 400.600 5.571 0 1 HKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C 255262442 RIVQQZVHIVNQFH-UOQHLXDQSA-N 420.678 5.410 0 1 HKAF C[C@H](C1=NC[C@H](C)CC1)[C@@H]1[C@H](O)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 257455827 JMSRDKIFVZVAMX-JVCRMERSSA-N 413.646 5.404 0 1 HKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@]2(C)CC[C@@H]2C(C)(C)CCC[C@]21C 263637645 OORMXZNMRWBSTK-DPHVRRCYSA-N 414.762 9.524 0 1 HKAF Nc1sc(CCc2ccccc2)c(-c2ccccc2)c1C(=O)c1ccc(Cl)cc1 299823466 GPKCIWMLBJXKIA-UHFFFAOYSA-N 417.961 6.667 0 1 HKAF Cc1ccc(-c2cc(C(=O)Nc3ccncc3)nn2-c2ccc3ccccc3n2)cc1 299827827 PQLOXELLUXXIKO-UHFFFAOYSA-N 405.461 5.043 0 1 HKAF CC1(C)COc2c(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)cccc21 586912484 TYYHCAMTEJCZGZ-UHFFFAOYSA-N 411.221 5.681 0 1 HKAF CC(=O)c1ccc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c2c1 586982138 RPVAXJYNSIWIGR-UHFFFAOYSA-N 401.304 5.620 0 1 HKAF COc1cc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cc1C 586983197 WZLMDDODTBOFDL-INIZCTEOSA-N 401.348 6.015 0 1 HKAF O=C1c2ccccc2-c2cc(Cc3ccccc3Br)nc3ccc(O)c1c23 586983940 DNPKOVSFSAUSLS-UHFFFAOYSA-N 416.274 5.505 0 1 HKAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)c2C1 587035387 VYRZXFQMDFSHSN-UHFFFAOYSA-N 412.559 5.277 0 1 HKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c2)c1 587050962 WEKQDBBREWWMKH-UHFFFAOYSA-N 401.775 5.777 0 1 HKAF O=C(Nc1ccccc1Cl)c1nc2cc(Br)c(C(F)(F)F)cc2[nH]1 587060218 GFUYCQLFHSNCDW-UHFFFAOYSA-N 418.600 5.250 0 1 HKAF CC(C)Oc1cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2cc1Br 587073631 MLGWCHLTECWBCJ-UHFFFAOYSA-N 419.750 6.040 0 1 HKAF Cc1cc(OCCc2c(C)nc3cccc4c3c2-c2ccccc2C4=O)ccc1Cl 587104119 OCZOYNSYPVQIFR-UHFFFAOYSA-N 413.904 6.338 0 1 HKAF FC(F)(F)c1cc(-c2cccc(-c3nc4cncnc4[nH]3)c2)cc(C(F)(F)F)c1 587110853 FQRAEXRNSZFWRI-UHFFFAOYSA-N 408.305 5.725 0 1 HKAF CC(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1 587120055 PAFRAIBFLVDHRJ-UHFFFAOYSA-N 421.382 5.161 0 1 HKAF Fc1ccc(S)cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587140158 CTUKUYYQXZBBRF-UHFFFAOYSA-N 407.186 5.319 0 1 HKAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(C)cc(C)c3[nH]2)c1C 587165607 FZJYMVUQIDCPDW-UHFFFAOYSA-N 419.500 5.515 0 1 HKAF CN(C)c1ccc(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)nc1 587195541 WVVUQVFXGMEVDQ-UHFFFAOYSA-N 423.314 5.032 0 1 HKAF COc1ccc([C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587355237 WXKDWAFYWUQOIW-NOZRDPDXSA-N 404.437 5.204 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(OCc1ccccc1)CC2 587601028 PYMMSSFPYVXDKH-CXSPSCEVSA-N 416.473 5.252 0 1 HKAF Cc1cc(Cl)cc2c(C(=O)c3ccc(Cl)cc3Cl)c(C(F)(F)F)[nH]c12 587624463 MTOAMBNSABRPLB-UHFFFAOYSA-N 406.618 6.686 0 1 HKAF CC[C@@H](C)c1ccc2[nH]c(C(C)(C)C)c(Cc3ccc(Br)cc3F)c2c1 587643895 YKQUNDBUUOMTLI-CQSZACIVSA-N 416.378 7.471 0 1 HKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccccc3nc2Cl)N1 587704266 JANCUEMONLUURW-MLCYQJTMSA-N 405.698 5.413 0 1 HKAF Cc1cccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587709348 LHGQXVBVPDFGHF-APPDUMDISA-N 402.229 5.237 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(C(F)(F)F)cc2Cl)N1 587710778 DZUXTQCJYSNGDF-KWKYVRJSSA-N 423.635 5.279 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)ccc(F)c2Cl)N1 587720235 MZISPBHSILQQSJ-RBHXEPJQSA-N 421.112 5.832 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2-c2ccc(F)cc2)N1 587735451 PXDQEURTZFHDKQ-LAJNKCICSA-N 415.281 5.413 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2n(C)c2ccccc32)N1 587757517 OHDUEJWBKHOAFN-WHEQGISXSA-N 413.334 5.194 0 1 HKAF CC(=O)C[C@@]1(c2c(C)cc(C)cc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812949 MDGQQNYPZNZDRE-NYHFZMIOSA-N 418.350 5.270 0 1 HKAF Cc1ccccc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587816405 XSZBUVLORUCSEN-QMHKHESXSA-N 410.330 5.723 0 1 HKAF Cc1ccc([C@@]2(C3CCCCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587820703 QEEWMHXXHAOOOD-WAIKUNEKSA-N 416.378 6.255 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)COC(C)(C)O3)N1 587832454 JUOLTLIPJQSVOA-QKVFXAPYSA-N 420.322 5.031 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccccc3)OC2(C)C)N1 587835369 WANPXYPODJQUOJ-XFPJRNFQSA-N 404.323 5.258 0 1 HKAF Cc1ccccc1C1([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCOCC1 587836191 SOQYTMLVFULUAB-VFNWGFHPSA-N 418.350 5.220 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Nc1ccccc1Cl 587857817 VMTBCWFATIGKPO-UHFFFAOYSA-N 410.688 5.989 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nccc(-c2cccs2)n1 587863725 GJXRBNJTXYVQCT-UHFFFAOYSA-N 402.401 5.085 0 1 HKAF C[S@](=O)c1ccc([C@H](CC2CCCC2)c2[nH]c3ncccc3c2C=O)cc1Cl 653780433 CHBZCDLDPNYPDM-HPGBDJQBSA-N 414.958 5.478 0 1 HKAF C[C@@]1(c2cccc(F)c2Br)c2ccsc2CCN1Cc1ccco1 962706173 LIFWSTFQTSHBSN-IBGZPJMESA-N 406.320 5.565 0 1 HKAF C[C@]1(CSc2nnc3sc4ccccc4n23)c2ccc(F)cc2C[C@@H]2CCCN21 963099463 HSJGIJBBAXDJNB-AOMKIAJQSA-N 424.570 5.111 0 1 HKAF O=C1CCS[C@@H](c2cccc(F)c2)N1CCNc1ccnc2cc(Cl)ccc12 1772571070 XZIFBGYPJXHOSD-NRFANRHFSA-N 415.921 5.104 0 1 HKAF Cc1nccc2c1[nH]c1cc(OCc3cn(C/C=C/c4cccc(F)c4)nn3)ccc12 1857553647 XSTYLYZFHJVKAJ-HWKANZROSA-N 413.456 5.048 0 1 HKAF Oc1ccccc1-c1cc(-c2ccccc2C(F)(F)F)nc2c1Cc1cccc(O)c1-2 1857595385 ZFPQLERUMNOFGV-UHFFFAOYSA-N 419.402 6.417 0 1 HKAF CCCCc1ccc(NC(=O)NCCc2c[nH]c3ccc(Br)cc23)cc1 1857602779 XMXIWXPPVHFLFV-UHFFFAOYSA-N 414.347 5.637 0 1 HKAF CC(C)C[C@H](NC(=O)OCc1ccccc1)[P@@](=O)(Oc1ccccc1)C(C)(C)C 1911573221 IMUVVYBDLHYALX-ONOMSOESSA-N 417.486 6.441 0 1 HKAF Cc1ncc(-c2cc(NC(=O)c3ccc(OCc4ccccn4)cc3)c(C)cc2C)[n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c1ccc2ccc(=O)oc2c1 2356787553 VEPJENAVBBECGU-ZIYZLLSTSA-N 412.526 5.514 0 1 HKAF CC[C@@H](C)N([C@H](C)CC)S(=O)(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C 1533860 XYIOCAJWRXXRJX-IAGOWNOFSA-N 411.612 5.199 0 1 HKAF CC(C)(C)c1noc(-c2ccc(F)cc2Cl)c1C(=O)NCc1ccccc1F 2483732 BIIZSXIBUPWZFK-UHFFFAOYSA-N 404.844 5.501 0 1 HKAF O[C@H](CCN1CCN(c2cccc3ccccc23)CC1)c1csc2ccccc12 13491123 SSPZTQRQPYEDFI-XMMPIXPASA-N 402.563 5.300 0 1 HKAF COc1cc2c(cc1[C@@H]1CCCc3oc(/C=C/C(=O)O)cc31)C(C)(C)CCC2(C)C 13560357 RJQKKTLAFODUMP-OAGJVSPASA-N 408.538 6.203 0 1 HKAF c1ccc2cc3[nH]c(-c4ccc5nc(-c6ccc7[nH]cnc7c6)[nH]c5c4)nc3cc2c1 13652264 VLPNMVKXVMJFBT-UHFFFAOYSA-N 400.445 5.803 0 1 HKAF CC(C)=CCC[C@@]1(C)C=Cc2c(ccc3c2OC[C@H]2c4cc5c(cc4O[C@H]32)OCO5)O1 14614041 BRJDSJJWJLKHSZ-YZYNAAERSA-N 418.489 5.936 0 1 HKAF COc1ccc(CN[C@@H](CN[C@@H](C)c2cccc3ccccc23)Cc2ccccc2)cc1 26995575 ZGTKYTKCGFIPOM-BKMJKUGQSA-N 424.588 5.900 0 1 HKAF O=C(Nc1ccc(Cl)cc1)c1cccc2cc(Oc3ncnc4[nH]ccc34)ccc12 29134929 DKFRNJGEESDBNS-UHFFFAOYSA-N 414.852 5.809 0 1 HKAF CCOC(=O)c1ncc2c(c1COC)-c1cc(OCc3ccccc3)ccc1[C@H]2C 40379352 AHDBWRVBTTYGMH-MRXNPFEDSA-N 403.478 5.116 0 1 HKAF Cc1nnsc1C(=O)Nc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1 45187041 PJVCZGSHBDAHHC-UHFFFAOYSA-N 417.519 5.371 0 1 HKAF CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)NCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 72139834 XGOOAZQLCFCOSF-PAMFVNDTSA-N 401.679 6.605 0 1 HKAF Cc1cc(/C=C/C(=O)O)cc(C)c1-c1ccc(O)c(C23CC4CC(CC(C4)C2)C3)c1 73199478 UPPRXNNCHKTPDT-ZZXKWVIFSA-N 402.534 6.242 0 1 HKAF O=C(NCc1cccc(OC(F)(F)F)c1)c1coc(-c2ccc3ccccc3c2)n1 82089380 PNWHZAGNUYMZCS-UHFFFAOYSA-N 412.367 5.323 0 1 HKAF Cc1nc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(F)cc2)oc1C 82165081 PFFWRWHOKYXFHW-UHFFFAOYSA-N 422.891 5.863 0 1 HKAF CCc1cnc(-c2cnc(NCCc3ccc(C)cc3)nc2-c2ccc(F)cc2)s1 82165147 JXQGBXVTFQQHIA-UHFFFAOYSA-N 418.541 5.932 0 1 HKAF C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@](C)(Cc3c[nH]c4cc(O)ccc34)[C@H](C)CC[C@@]21C 85598679 QUXMSGOZWRNNMC-OTTCATGESA-N 421.625 6.890 0 1 HKAF CCC(CC)c1ccc(Cl)c2nc(Nc3c(C)cc(Cl)cc3Cl)n(C)c12 88366517 YBFDEWAVTMXKMX-UHFFFAOYSA-N 410.776 7.489 0 1 HKAF COc1ccc(Oc2c(Cl)cnn(Cc3ccc(C)c4ccccc34)c2=O)cc1 95593166 JGDGKDFGLRODCT-UHFFFAOYSA-N 406.869 5.208 0 1 HKAF O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(C2CC2)nn1Cc1ccccc1 96273838 LMJZVXHSTCOPTC-UHFFFAOYSA-N 400.404 5.472 0 1 HKAF COc1ccc(/C=C/c2ccc3oc(=O)c(-c4ccc(OC)c(OC)c4)cc3c2)cc1 103181358 MQXZUEKJQWPRFA-SNAWJCMRSA-N 414.457 5.656 0 1 HKAF COc1cccc(C(=O)Nc2cccc(-c3ccc(OC4CCN(C)CC4)cc3)c2)c1 103242615 OTNONIMJXNDOKL-UHFFFAOYSA-N 416.521 5.088 0 1 HKAF COc1ccc([C@@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)c(OC)c1 104040509 VCWIKNXXUDJAIN-DEOSSOPVSA-N 406.526 6.192 0 1 HKAF CCOC(=O)[C@H](N)Cc1c[nH]c2ccc(-c3ccc(Oc4ccccc4)cc3)cc12 146730889 CANWUDJNXMBYLX-HSZRJFAPSA-N 400.478 5.060 0 1 HKAF O=C(O)c1ccc(OCCCCCCCCCCCSCc2ccccc2)cc1 169344822 ZFMPVQAISROEPA-UHFFFAOYSA-N 414.611 7.208 0 1 HKAF O=C1Nc2ccccc2[C@H](O)C1(Cc1ccccc1Cl)Cc1ccccc1Cl 169346092 GQBIVUKIWPCPJV-NRFANRHFSA-N 412.316 5.451 0 1 HKAF CC(/C=C/C=C(\C)[C@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1)=C\C=C\C=C(/C)CCCO 238740689 SMTGOURXPBLNQN-ILOYCDRQSA-N 412.614 5.975 0 1 HKAF C1=C\CCCCN2C[C@]34CC/C=C\CCCCCCN(C[C@H]5C/C(=C/C/1)[C@@H]2C[C@H]53)C4 238778183 UOGKYFKQLXZXCD-ATWWFWOGSA-N 408.674 6.356 0 1 HKAF C[C@H](NCc1ccccc1)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 299811958 HNPFUHUXZIRHMG-SFTMWRKRSA-N 407.642 6.105 0 1 HKAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(C)cc4[nH]3)c(=O)oc2c1C 586918658 QCCUUHAUQLMRKA-UHFFFAOYSA-N 402.494 5.530 0 1 HKAF Cc1ccc2c3c(cc(-c4ccccc4CCC(F)(F)F)nc13)-c1ccccc1C2=O 586994040 VHQRIYUUOXTUNO-UHFFFAOYSA-N 417.430 6.917 0 1 HKAF CC(C)(C)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 587002635 XSMKOIHUABSSEZ-DAXSKMNVSA-N 413.315 5.565 0 1 HKAF Nc1ccnc2[nH]c(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)nc12 587013578 RMRCNWKKQJPLTN-UHFFFAOYSA-N 417.925 5.575 0 1 HKAF O=C(c1ccccc1)c1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1 587015436 CXGZVQAGNIBGGH-UHFFFAOYSA-N 415.905 6.238 0 1 HKAF FC(F)(F)c1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1 587016962 GCPAVAKRGRXKFB-UHFFFAOYSA-N 411.412 5.997 0 1 HKAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c(Cl)ncnc2[nH]1 587018992 SMYWUSVRCDTZNK-UHFFFAOYSA-N 424.744 5.763 0 1 HKAF CCCCCOc1cc2nc([C@H]3Cc4ccccc4S3)[nH]c2cc1Br 587041685 DCYYQEKQVRPPRJ-LJQANCHMSA-N 417.372 6.284 0 1 HKAF Cc1cc(Br)c2[nH]c(-c3cc(NC(=O)C(C)C)ccc3Cl)nc2c1 587051655 QZYFLHXYOSZTTR-UHFFFAOYSA-N 406.711 5.549 0 1 HKAF Clc1cccc(/C=C/c2nc3cc(Br)cc(Cl)c3[nH]2)c1Cl 587056000 YDVNTFBZMRCPPX-SNAWJCMRSA-N 402.506 6.456 0 1 HKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c2)cc1 587068046 WTXYAIAOBBYXHT-UHFFFAOYSA-N 406.766 5.599 0 1 HKAF CCc1c(-c2ccc(Cl)c(Cl)c2)nc2cccc3c2c1-c1ccccc1C3=O 587103120 CWLRCDLUMIJZIW-UHFFFAOYSA-N 404.296 6.982 0 1 HKAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)cc2N1 587122601 CHOAFXJZKPOOQF-KPZWWZAWSA-N 413.403 5.526 0 1 HKAF C[C@H](CSc1ccc(F)cc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587172164 YBEVHCPPNGXOAE-CQSZACIVSA-N 419.550 6.875 0 1 HKAF CC(C)[C@H](c1nc2cc(F)cc(Br)c2[nH]1)N(C)C(=O)OC(C)(C)C 587197781 NYYHONDFKFDHNQ-CQSZACIVSA-N 400.292 5.029 0 1 HKAF C[C@@]1(c2cnc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331896 QCJVKPJJHPGFNA-CTNGQTDRSA-N 418.251 5.507 0 1 HKAF Cc1cc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)oc2cc1C 587353889 OBZYSODLUWAPJA-RSXGOPAZSA-N 416.448 6.169 0 1 HKAF CCc1ccc2c(c1)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359332 RJHDIDSAFBGAJJ-UKILVPOCSA-N 404.437 5.131 0 1 HKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(Br)s1)O2 587410412 MMHCKNSBOZJCNG-FQEVSTJZSA-N 414.324 5.310 0 1 HKAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587421520 LJTJYSFREJGNQB-CVDCTZTESA-N 410.391 5.405 0 1 HKAF COc1cc2c3c(c1)O[C@]1(CCCCC[C@H]1c1ccccc1C(F)(F)F)[C@@H](C2)C3=O 587422862 VLNZDGPOZSTLQP-LTMIRXACSA-N 416.439 5.948 0 1 HKAF COc1cc2c3c(c1)O[C@H](c1ccc(Sc4ccc(Cl)cc4)nc1)[C@@H](C2)C3=O 587453225 QOHJSNICFRHYCU-HTAPYJJXSA-N 409.894 5.384 0 1 HKAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](c3ccccc3)c3ccc(O)cc31)CC2=O 587487271 ZGIAMPPRUZJKHG-PPHZAIPVSA-N 414.501 5.837 0 1 HKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nc3ccc(-c4ccccc4)cn13)CC2=O 587491021 RBVPACQEILMCPV-HSZRJFAPSA-N 412.489 5.674 0 1 HKAF COc1cc(OC)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587498163 FWDKLYRBTHJYKN-IBGZPJMESA-N 417.299 5.052 0 1 HKAF O=C1C[C@H](c2ccc(I)c(F)c2)Oc2c1ccc1c2CCCC1 587502052 DRPUJZZYUKMPIP-GOSISDBHSA-N 422.237 5.016 0 1 HKAF COc1cc(C(F)(F)F)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542567 AAICDHWDBBDOMZ-GHTZIAJQSA-N 416.351 5.123 0 1 HKAF CCCc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC 587595667 LTKXUSDBEKWRCA-RCZVLFRGSA-N 404.462 5.446 0 1 HKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC2CCCC2)cc1 587600217 NBCABYRKJPCXQA-RCZVLFRGSA-N 402.446 5.417 0 1 HKAF C[C@@]1(CCc2ccc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613451 OXJDZAYUXFVEHR-RXVVDRJESA-N 400.883 5.460 0 1 HKAF Cc1cc(Cl)cc2c(-c3ccc(N4CCOCC4)cc3)c(-c3ccccc3)[nH]c12 587627438 WHPHTOQZOWLHRX-UHFFFAOYSA-N 402.925 6.300 0 1 HKAF COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccc(Cl)cc1Cl 587628666 QVTVOCDLTVOLHB-UHFFFAOYSA-N 400.620 5.285 0 1 HKAF Cc1cccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587709872 OKUOTYSUYIUQFI-APPDUMDISA-N 402.229 5.237 0 1 HKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC(F)(F)F)c2)N1 587724017 YVWVWJSNKHKKQJ-FVMDXXJSSA-N 404.201 5.110 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccncc3)cc2F)N1 587725256 OENJOVBYOPSCTE-GTJPDFRWSA-N 415.281 5.413 0 1 HKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(Cc3ccccc3)CC2)N1 587766909 OWRXRQXBEBRSMB-AOMKIAJQSA-N 417.366 5.004 0 1 HKAF Cc1cc(C)c2[nH]c3c(c2c1)CC[C@@]31N[C@@H](C)Cc2cc(Br)c(F)cc21 587804709 RZRDIRHROCUKKQ-XMHCIUCPSA-N 413.334 5.410 0 1 HKAF COc1ccc2cccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587808002 MPIGOINAYXNNJD-MCMMXHMISA-N 414.318 5.548 0 1 HKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(C2CCCCC2)N1 587817446 CBOQHLXAALKAMT-WAIKUNEKSA-N 416.378 6.141 0 1 HKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1nc2ccccc2[nH]1 587859261 HHVKHFOSVFPMCA-UHFFFAOYSA-N 415.280 5.015 0 1 HKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(-c2ccc(C)cc2)nn1 587863152 SEOPAULFYWOFGA-UHFFFAOYSA-N 410.399 5.332 0 1 HKAF COc1cc2c(cc1OC)[C@@H](c1ccc(OCc3csc(C)n3)cc1)N(C)[C@@H](C)C2 962637374 WRQMMKMMBWJVNF-IZHWHUGBSA-N 424.566 5.014 0 1 HKAF O=C1c2ccccc2[C@]2(c3c(F)cccc3C[C@H]3CCCN32)c2c(Cl)cccc21 963086617 BFVNUVLTGUECNP-CPJLOUKISA-N 403.884 5.336 0 1 HKAF CC[C@H](C)C[C@]1(CC)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccccc1N 963159064 PKGQFNLAIIOPBI-SSOJOUAXSA-N 410.558 5.026 0 1 HKAF CCC[C@@]1(c2ncccc2C)c2cc(OC)ccc2CCN1Cc1ccc(F)cc1 963302473 NWWQNNMMBDPBKU-SANMLTNESA-N 404.529 5.640 0 1 HKAF FC(F)(F)c1ccc2nc(N3CCc4c([nH]c5ccc(Cl)cc45)C3)sc2c1 1857611528 QDOZBGKDUAOCOP-UHFFFAOYSA-N 407.848 6.013 0 1 HKAF COc1cccc(N=c2[nH]c(-c3cccc(C(F)(F)F)c3)nc3ccc(N)cc23)c1 1857747543 TYEIFLLXRISVSV-UHFFFAOYSA-N 410.399 5.072 0 1 HKAF CC(=O)N(C)[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 2356428960 DNVZSDMHLPWULM-KHZGCHOXSA-N 400.651 5.362 0 1 HKAF CC(C)=CCC[C@H](C)C=Cc1c(O)cc2c(c1O)C(=O)C[C@H](c1ccc(O)cc1)O2 2356442547 GVSKSNRAUGVYDK-KSFYIVLOSA-N 408.494 5.906 0 1 HKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H]4O[C@@]3(CC[C@@]21C)[C@]1(C)CC[C@@H](O)C[C@@H]41 2356721201 XSBIAMRLXDVYMG-FXRCJTGUSA-N 412.658 6.542 0 1 HKAF CC(=O)N[C@H](c1ccc(F)c(F)c1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 61925574 BXXDKCLHYBITON-QGZVFWFLSA-N 412.383 5.333 0 3 HKAF